smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1cc(OC)nc(N2CCNCC2)n1 ZINC000001502693 132314279 /nfs/dbraw/zinc/31/42/79/132314279.db2.gz SKUYHUBUTWPQLQ-UHFFFAOYSA-N 0 3 224.264 -0.097 20 0 BBADHN COC(=O)[C@@H](Cc1ccccc1)NC(=O)CN ZINC000001605330 355909929 /nfs/dbraw/zinc/90/99/29/355909929.db2.gz LOHWRQWKFFFEOG-SNVBAGLBSA-N 0 3 236.271 -0.154 20 0 BBADHN CC[C@@H](C)[C@H](N)C(=O)NCC(=O)OC ZINC000001605756 342705280 /nfs/dbraw/zinc/70/52/80/342705280.db2.gz BPISBTXISIPAEQ-SVRRBLITSA-N 0 3 202.254 -0.351 20 0 BBADHN CC[C@H](C)[C@H](N)C(=O)NCC(=O)OC ZINC000001605757 171394695 /nfs/dbraw/zinc/39/46/95/171394695.db2.gz BPISBTXISIPAEQ-XPUUQOCRSA-N 0 3 202.254 -0.351 20 0 BBADHN CC[C@@H](C)[C@@H](N)C(=O)NCC(=O)OC ZINC000001605758 346459654 /nfs/dbraw/zinc/45/96/54/346459654.db2.gz BPISBTXISIPAEQ-HTRCEHHLSA-N 0 3 202.254 -0.351 20 0 BBADHN CC[C@H](C)[C@@H](N)C(=O)NCC(=O)OC ZINC000001605759 171371769 /nfs/dbraw/zinc/37/17/69/171371769.db2.gz BPISBTXISIPAEQ-POYBYMJQSA-N 0 3 202.254 -0.351 20 0 BBADHN C[C@@H](N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000001607159 350477965 /nfs/dbraw/zinc/47/79/65/350477965.db2.gz XYRNVSZCHSXALY-SCZZXKLOSA-N 0 3 235.287 -0.454 20 0 BBADHN C[C@H](N)C(=O)N[C@H](Cc1ccccc1)C(N)=O ZINC000001607160 350477897 /nfs/dbraw/zinc/47/78/97/350477897.db2.gz XYRNVSZCHSXALY-WCBMZHEXSA-N 0 3 235.287 -0.454 20 0 BBADHN C[C@@H](N)C(=O)N[C@H](Cc1ccccc1)C(N)=O ZINC000001607161 350477678 /nfs/dbraw/zinc/47/76/78/350477678.db2.gz XYRNVSZCHSXALY-PSASIEDQSA-N 0 3 235.287 -0.454 20 0 BBADHN NCC(=O)N1CCN(C(=O)c2ccccc2)CC1 ZINC000002599493 181350756 /nfs/dbraw/zinc/35/07/56/181350756.db2.gz LGWCWADFPBRGMD-UHFFFAOYSA-N 0 3 247.298 -0.070 20 0 BBADHN CC[C@@H](N)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC000004760504 350191500 /nfs/dbraw/zinc/19/15/00/350191500.db2.gz RTINNOPAZIOQTP-MNOVXSKESA-N 0 3 249.314 -0.064 20 0 BBADHN CC[C@H](N)C(=O)N[C@H](Cc1ccccc1)C(N)=O ZINC000004760505 350191449 /nfs/dbraw/zinc/19/14/49/350191449.db2.gz RTINNOPAZIOQTP-WDEREUQCSA-N 0 3 249.314 -0.064 20 0 BBADHN CC[C@@H](N)C(=O)N[C@H](Cc1ccccc1)C(N)=O ZINC000004760506 350191791 /nfs/dbraw/zinc/19/17/91/350191791.db2.gz RTINNOPAZIOQTP-GHMZBOCLSA-N 0 3 249.314 -0.064 20 0 BBADHN CN(C)CCNc1ncnc2c1nnn2C ZINC000005442425 487954909 /nfs/dbraw/zinc/95/49/09/487954909.db2.gz NURWDHYONKUPET-UHFFFAOYSA-N 0 3 221.268 -0.268 20 0 BBADHN COC(=O)[C@H](Cc1ccccc1)NC(=O)CN ZINC000006482522 387594123 /nfs/dbraw/zinc/59/41/23/387594123.db2.gz LOHWRQWKFFFEOG-JTQLQIEISA-N 0 3 236.271 -0.154 20 0 BBADHN CCN(CC)CCNC(=O)C(=O)NC ZINC000009994418 356415771 /nfs/dbraw/zinc/41/57/71/356415771.db2.gz YUGVIRXELHETFM-UHFFFAOYSA-N 0 3 201.270 -0.810 20 0 BBADHN CCN(CC)CCNC(=O)C(=O)NC1CC1 ZINC000010327244 357319396 /nfs/dbraw/zinc/31/93/96/357319396.db2.gz SNADQRYGOVIPAC-UHFFFAOYSA-N 0 3 227.308 -0.277 20 0 BBADHN Cn1c(CN2CCCC2)cc(=O)n(C)c1=O ZINC000011234472 346863993 /nfs/dbraw/zinc/86/39/93/346863993.db2.gz SAQXASVKMZTLGI-UHFFFAOYSA-N 0 3 223.276 -0.320 20 0 BBADHN CCN1CCC(NC(=O)CN(C)CCO)CC1 ZINC000011483813 342841133 /nfs/dbraw/zinc/84/11/33/342841133.db2.gz IXZPISWXBDZRCR-UHFFFAOYSA-N 0 3 243.351 -0.489 20 0 BBADHN COC(=O)CNC(=O)[C@@H](N)CCSC ZINC000011755039 346878694 /nfs/dbraw/zinc/87/86/94/346878694.db2.gz HFNFKWJGQHABOP-LURJTMIESA-N 0 3 220.294 -0.644 20 0 BBADHN CCn1nc(C(=O)NCCN(C)C)ccc1=O ZINC000011780847 370754183 /nfs/dbraw/zinc/75/41/83/370754183.db2.gz FQJMDMNPCIGREZ-UHFFFAOYSA-N 0 3 238.291 -0.445 20 0 BBADHN CC(C)(CNC(=O)CN)N1CCOCC1 ZINC000011953483 386320920 /nfs/dbraw/zinc/32/09/20/386320920.db2.gz ZXIPJUQKLMABCT-UHFFFAOYSA-N 0 3 215.297 -0.828 20 0 BBADHN C[C@H](N)C(=O)NCC(C)(C)N1CCOCC1 ZINC000011953687 342844918 /nfs/dbraw/zinc/84/49/18/342844918.db2.gz GLILCDMAOWNPFS-VIFPVBQESA-N 0 3 229.324 -0.439 20 0 BBADHN COC(=O)C1CCN(C(=O)CN)CC1 ZINC000011956803 345087211 /nfs/dbraw/zinc/08/72/11/345087211.db2.gz RRIQSBKYMNZCGJ-UHFFFAOYSA-N 0 3 200.238 -0.643 20 0 BBADHN CCOC(=O)N1CCC(NC(=O)CN)CC1 ZINC000011957049 170239319 /nfs/dbraw/zinc/23/93/19/170239319.db2.gz ARTSFBKABXRLPN-UHFFFAOYSA-N 0 3 229.280 -0.318 20 0 BBADHN NCC(=O)N1CCN(c2ccccn2)CC1 ZINC000011957085 132320964 /nfs/dbraw/zinc/32/09/64/132320964.db2.gz UBJKOIMUJFXRIC-UHFFFAOYSA-N 0 3 220.276 -0.311 20 0 BBADHN COC(=O)C1CCN(C(=O)[C@H](C)N)CC1 ZINC000011957559 345088583 /nfs/dbraw/zinc/08/85/83/345088583.db2.gz VFCAVEFGGXDUGO-ZETCQYMHSA-N 0 3 214.265 -0.255 20 0 BBADHN C[C@H](N)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000011958040 363471785 /nfs/dbraw/zinc/47/17/85/363471785.db2.gz HHUGDQWDGPMPPV-LURJTMIESA-N 0 3 243.288 -0.380 20 0 BBADHN CC(C)[C@H](N)C(=O)NCCN1CCOCC1 ZINC000011958317 384305222 /nfs/dbraw/zinc/30/52/22/384305222.db2.gz NUOGPFINGLHYKP-JTQLQIEISA-N 0 3 229.324 -0.582 20 0 BBADHN CC(C)[C@H](N)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1 ZINC000011958485 384303267 /nfs/dbraw/zinc/30/32/67/384303267.db2.gz BGEHDMKOMZDLMU-BDAKNGLRSA-N 0 3 248.348 -0.385 20 0 BBADHN CC(C)[C@H](N)C(=O)N(C)[C@H]1CCS(=O)(=O)C1 ZINC000011958489 188057777 /nfs/dbraw/zinc/05/77/77/188057777.db2.gz BGEHDMKOMZDLMU-IUCAKERBSA-N 0 3 248.348 -0.385 20 0 BBADHN CCOC(=O)CNC(=O)[C@@H](N)C(C)C ZINC000011958516 170223266 /nfs/dbraw/zinc/22/32/66/170223266.db2.gz UTAATZCKDKSOGX-QMMMGPOBSA-N 0 3 202.254 -0.351 20 0 BBADHN CC[C@@H](C)[C@H](N)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000011959562 355771402 /nfs/dbraw/zinc/77/14/02/355771402.db2.gz YHSVAWYWFLYPON-HLTSFMKQSA-N 0 3 248.348 -0.337 20 0 BBADHN CC[C@H](C)[C@H](N)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000011959564 171395710 /nfs/dbraw/zinc/39/57/10/171395710.db2.gz YHSVAWYWFLYPON-YIZRAAEISA-N 0 3 248.348 -0.337 20 0 BBADHN CC[C@@H](C)[C@H](N)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000011959568 170795370 /nfs/dbraw/zinc/79/53/70/170795370.db2.gz YHSVAWYWFLYPON-VGMNWLOBSA-N 0 3 248.348 -0.337 20 0 BBADHN CC[C@H](C)[C@H](N)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000011959571 171396527 /nfs/dbraw/zinc/39/65/27/171396527.db2.gz YHSVAWYWFLYPON-CIUDSAMLSA-N 0 3 248.348 -0.337 20 0 BBADHN CC(C)C[C@H](N)C(=O)NCCN1CCOCC1 ZINC000011960918 188058626 /nfs/dbraw/zinc/05/86/26/188058626.db2.gz PGPSBZJWWMIJGA-NSHDSACASA-N 0 3 243.351 -0.192 20 0 BBADHN CC(C)C[C@H](N)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000011961041 188006727 /nfs/dbraw/zinc/00/67/27/188006727.db2.gz ZBMCFRNURIYEAE-BDAKNGLRSA-N 0 3 248.348 -0.337 20 0 BBADHN CC(C)C[C@H](N)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000011961043 188353101 /nfs/dbraw/zinc/35/31/01/188353101.db2.gz ZBMCFRNURIYEAE-IUCAKERBSA-N 0 3 248.348 -0.337 20 0 BBADHN COC(=O)CNC(=O)[C@@H](N)CC(C)C ZINC000011961398 173599536 /nfs/dbraw/zinc/59/95/36/173599536.db2.gz QWZYDRRCPIDYNS-ZETCQYMHSA-N 0 3 202.254 -0.351 20 0 BBADHN CCCC[C@@H](N)C(=O)N[C@@H](C)C(N)=O ZINC000013550598 350651624 /nfs/dbraw/zinc/65/16/24/350651624.db2.gz MZFPHOIGBZMFAK-NKWVEPMBSA-N 0 3 201.270 -0.506 20 0 BBADHN CCCC[C@H](N)C(=O)N[C@@H](C)C(N)=O ZINC000013550601 169006818 /nfs/dbraw/zinc/00/68/18/169006818.db2.gz MZFPHOIGBZMFAK-BQBZGAKWSA-N 0 3 201.270 -0.506 20 0 BBADHN CCCC[C@@H](N)C(=O)N[C@H](C)C(N)=O ZINC000013550605 350652709 /nfs/dbraw/zinc/65/27/09/350652709.db2.gz MZFPHOIGBZMFAK-RNFRBKRXSA-N 0 3 201.270 -0.506 20 0 BBADHN CCCC[C@H](N)C(=O)N[C@H](C)C(N)=O ZINC000013550609 169007904 /nfs/dbraw/zinc/00/79/04/169007904.db2.gz MZFPHOIGBZMFAK-RQJHMYQMSA-N 0 3 201.270 -0.506 20 0 BBADHN CC[C@H](N)C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000013675978 387347924 /nfs/dbraw/zinc/34/79/24/387347924.db2.gz XPGZBTJROJXLGK-SFYZADRCSA-N 0 3 213.281 -0.552 20 0 BBADHN CNCC(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000013800487 173334746 /nfs/dbraw/zinc/33/47/46/173334746.db2.gz XKZUNPNLIDWALE-UHFFFAOYSA-N 0 3 243.288 -0.508 20 0 BBADHN CNCC(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000013800489 173333737 /nfs/dbraw/zinc/33/37/37/173333737.db2.gz KXKAUMUQOICGOA-UHFFFAOYSA-N 0 3 243.288 -0.508 20 0 BBADHN CS(=O)(=O)c1ccc(C(=O)NCCN)cc1 ZINC000019258881 386775623 /nfs/dbraw/zinc/77/56/23/386775623.db2.gz UXTLUUYBDHNQAB-UHFFFAOYSA-N 0 3 242.300 -0.221 20 0 BBADHN 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BBADHN NC(=O)CCCNC(=O)[C@H](N)Cc1ccccc1 ZINC000037660283 181223264 /nfs/dbraw/zinc/22/32/64/181223264.db2.gz GSDQERJOTZDCGJ-LLVKDONJSA-N 0 3 249.314 -0.062 20 0 BBADHN CC[C@@H](C)[C@H](N)C(=O)NCCCC(N)=O ZINC000037660284 342938993 /nfs/dbraw/zinc/93/89/93/342938993.db2.gz VVUQIWFJKZFPCV-APPZFPTMSA-N 0 3 215.297 -0.259 20 0 BBADHN CC[C@H](C)[C@H](N)C(=O)NCCCC(N)=O ZINC000037660285 171394620 /nfs/dbraw/zinc/39/46/20/171394620.db2.gz VVUQIWFJKZFPCV-CBAPKCEASA-N 0 3 215.297 -0.259 20 0 BBADHN CC[C@@H](C)[C@@H](N)C(=O)NCCCC(N)=O ZINC000037660286 342939075 /nfs/dbraw/zinc/93/90/75/342939075.db2.gz VVUQIWFJKZFPCV-VXNVDRBHSA-N 0 3 215.297 -0.259 20 0 BBADHN CC[C@H](C)[C@@H](N)C(=O)NCCCC(N)=O ZINC000037660287 171371695 /nfs/dbraw/zinc/37/16/95/171371695.db2.gz VVUQIWFJKZFPCV-IONNQARKSA-N 0 3 215.297 -0.259 20 0 BBADHN CC(C)C[C@H](N)C(=O)NCCCC(N)=O ZINC000037660299 342939006 /nfs/dbraw/zinc/93/90/06/342939006.db2.gz DQTPSMADHYBCHI-QMMMGPOBSA-N 0 3 215.297 -0.259 20 0 BBADHN CC(C)C[C@@H](N)C(=O)NCCCC(N)=O ZINC000037660300 342939099 /nfs/dbraw/zinc/93/90/99/342939099.db2.gz DQTPSMADHYBCHI-MRVPVSSYSA-N 0 3 215.297 -0.259 20 0 BBADHN CCC[C@H](N)C(=O)NCCCC(N)=O ZINC000037660319 342939057 /nfs/dbraw/zinc/93/90/57/342939057.db2.gz RSBOISOVYBMLFM-ZETCQYMHSA-N 0 3 201.270 -0.505 20 0 BBADHN CCC[C@@H](N)C(=O)NCCCC(N)=O ZINC000037660320 169389257 /nfs/dbraw/zinc/38/92/57/169389257.db2.gz RSBOISOVYBMLFM-SSDOTTSWSA-N 0 3 201.270 -0.505 20 0 BBADHN CC(C)NCC(=O)NCCCC(N)=O ZINC000037660325 487589741 /nfs/dbraw/zinc/58/97/41/487589741.db2.gz SFDWQMMQBJBBOK-UHFFFAOYSA-N 0 3 201.270 -0.634 20 0 BBADHN CCCC[C@H](N)C(=O)NCCCC(N)=O ZINC000037660350 169006456 /nfs/dbraw/zinc/00/64/56/169006456.db2.gz VSDPPZFHNZODGF-QMMMGPOBSA-N 0 3 215.297 -0.114 20 0 BBADHN CCCC[C@@H](N)C(=O)NCCCC(N)=O ZINC000037660351 342939080 /nfs/dbraw/zinc/93/90/80/342939080.db2.gz VSDPPZFHNZODGF-MRVPVSSYSA-N 0 3 215.297 -0.114 20 0 BBADHN CCC[C@](C)(N)C(=O)NCCCC(N)=O ZINC000037660357 342939066 /nfs/dbraw/zinc/93/90/66/342939066.db2.gz APIOQQIITWWPCO-JTQLQIEISA-N 0 3 215.297 -0.114 20 0 BBADHN CCC[C@@](C)(N)C(=O)NCCCC(N)=O ZINC000037660358 384506967 /nfs/dbraw/zinc/50/69/67/384506967.db2.gz APIOQQIITWWPCO-SNVBAGLBSA-N 0 3 215.297 -0.114 20 0 BBADHN CN(CC(F)(F)F)C(=O)CN1CCNCC1 ZINC000037664920 344555137 /nfs/dbraw/zinc/55/51/37/344555137.db2.gz UVDXOLBXURYOEH-UHFFFAOYSA-N 0 3 239.241 -0.088 20 0 BBADHN CCOC(=O)CNC(=O)[C@H](N)C(C)C ZINC000037713890 170223838 /nfs/dbraw/zinc/22/38/38/170223838.db2.gz UTAATZCKDKSOGX-MRVPVSSYSA-N 0 3 202.254 -0.351 20 0 BBADHN CCOC(=O)CNC(=O)CNC1CC1 ZINC000037713922 358092465 /nfs/dbraw/zinc/09/24/65/358092465.db2.gz DSKJQCQGFNXMQJ-UHFFFAOYSA-N 0 3 200.238 -0.582 20 0 BBADHN CCOC(=O)CNC(=O)CNC(C)C ZINC000037713923 342943476 /nfs/dbraw/zinc/94/34/76/342943476.db2.gz AJYNKRYSBGUBNR-UHFFFAOYSA-N 0 3 202.254 -0.336 20 0 BBADHN CCOC(=O)CNC(=O)C1(N)CCCC1 ZINC000037713929 170222652 /nfs/dbraw/zinc/22/26/52/170222652.db2.gz LHDWMLGDODTZQS-UHFFFAOYSA-N 0 3 214.265 -0.063 20 0 BBADHN CCOC(=O)CNC(=O)[C@@H]1CCCCN1 ZINC000037713948 170223819 /nfs/dbraw/zinc/22/38/19/170223819.db2.gz RUNRKYZLINQJJQ-QMMMGPOBSA-N 0 3 214.265 -0.192 20 0 BBADHN CCOC(=O)CNC(=O)[C@H]1CCCCN1 ZINC000037713949 170224104 /nfs/dbraw/zinc/22/41/04/170224104.db2.gz RUNRKYZLINQJJQ-MRVPVSSYSA-N 0 3 214.265 -0.192 20 0 BBADHN CC[C@H](N)C(=O)N1CCN(C(C)=O)CC1 ZINC000037716168 384571107 /nfs/dbraw/zinc/57/11/07/384571107.db2.gz OVVYZQOOCZOUBC-VIFPVBQESA-N 0 3 213.281 -0.586 20 0 BBADHN CC[C@@H](N)C(=O)N1CCN(C(C)=O)CC1 ZINC000037716169 387441183 /nfs/dbraw/zinc/44/11/83/387441183.db2.gz OVVYZQOOCZOUBC-SECBINFHSA-N 0 3 213.281 -0.586 20 0 BBADHN CC(=O)N1CCN(C(=O)C2(N)CCCC2)CC1 ZINC000037716179 388587647 /nfs/dbraw/zinc/58/76/47/388587647.db2.gz OFOLQYDJCHQTOV-UHFFFAOYSA-N 0 3 239.319 -0.051 20 0 BBADHN NCCNC(=O)C(=O)NCCCc1ccccc1 ZINC000037719471 181393698 /nfs/dbraw/zinc/39/36/98/181393698.db2.gz IPUGQYUMSSURQP-UHFFFAOYSA-N 0 3 249.314 -0.190 20 0 BBADHN Cc1n[nH]cc1S(=O)(=O)N1CCCNCC1 ZINC000037730215 385272592 /nfs/dbraw/zinc/27/25/92/385272592.db2.gz PGELBHKTSPZHJM-UHFFFAOYSA-N 0 3 244.320 -0.298 20 0 BBADHN CS(=O)(=O)CCNC(=O)C1(N)CCCC1 ZINC000037740285 712753376 /nfs/dbraw/zinc/75/33/76/712753376.db2.gz DCBYIWMLEZTRLN-UHFFFAOYSA-N 0 3 234.321 -0.581 20 0 BBADHN CS(=O)(=O)CCNC(=O)C1(N)CCCCC1 ZINC000037740322 712753283 /nfs/dbraw/zinc/75/32/83/712753283.db2.gz ORAMNOHPDLTERI-UHFFFAOYSA-N 0 3 248.348 -0.191 20 0 BBADHN CC[C@@H](C)[C@H](N)C(=O)NCCS(C)(=O)=O ZINC000037740346 711467739 /nfs/dbraw/zinc/46/77/39/711467739.db2.gz YYOVCLOUFDKROR-SFYZADRCSA-N 0 3 236.337 -0.479 20 0 BBADHN CC[C@H](C)[C@H](N)C(=O)NCCS(C)(=O)=O ZINC000037740347 711467719 /nfs/dbraw/zinc/46/77/19/711467719.db2.gz YYOVCLOUFDKROR-YUMQZZPRSA-N 0 3 236.337 -0.479 20 0 BBADHN CC(C)C[C@H](N)C(=O)NCCS(C)(=O)=O ZINC000037740354 712753339 /nfs/dbraw/zinc/75/33/39/712753339.db2.gz KUVXTAVUXIICDL-QMMMGPOBSA-N 0 3 236.337 -0.479 20 0 BBADHN CC(C)C[C@@H](N)C(=O)NCCS(C)(=O)=O ZINC000037740355 711467540 /nfs/dbraw/zinc/46/75/40/711467540.db2.gz KUVXTAVUXIICDL-MRVPVSSYSA-N 0 3 236.337 -0.479 20 0 BBADHN CCC[C@](C)(N)C(=O)NCCS(C)(=O)=O ZINC000037740388 712753254 /nfs/dbraw/zinc/75/32/54/712753254.db2.gz YLILIBRIQBAMQN-VIFPVBQESA-N 0 3 236.337 -0.335 20 0 BBADHN CCC[C@@](C)(N)C(=O)NCCS(C)(=O)=O ZINC000037740389 712753395 /nfs/dbraw/zinc/75/33/95/712753395.db2.gz YLILIBRIQBAMQN-SECBINFHSA-N 0 3 236.337 -0.335 20 0 BBADHN NCCNC(=O)C(=O)NCCC1CCCC1 ZINC000037741059 181392783 /nfs/dbraw/zinc/39/27/83/181392783.db2.gz KHKRPMAEKYYNBP-UHFFFAOYSA-N 0 3 227.308 -0.242 20 0 BBADHN CS(=O)(=O)CCN[C@H]1CCC[C@@H]1O ZINC000037750504 711467639 /nfs/dbraw/zinc/46/76/39/711467639.db2.gz CJFQPXVXXBRPNX-YUMQZZPRSA-N 0 3 207.295 -0.466 20 0 BBADHN CN(C)C(=O)CCNC(=O)[C@@H]1CCCCN1 ZINC000037751288 172358933 /nfs/dbraw/zinc/35/89/33/172358933.db2.gz ZRPVDCPTQWQEMD-VIFPVBQESA-N 0 3 227.308 -0.277 20 0 BBADHN CN(C)C(=O)CCNC(=O)[C@H]1CCCCN1 ZINC000037751289 172359464 /nfs/dbraw/zinc/35/94/64/172359464.db2.gz ZRPVDCPTQWQEMD-SECBINFHSA-N 0 3 227.308 -0.277 20 0 BBADHN CC(C)C[C@H](N)C(=O)NCCC(=O)N(C)C ZINC000037751302 187294351 /nfs/dbraw/zinc/29/43/51/187294351.db2.gz MFPPCYAZTAPEDP-VIFPVBQESA-N 0 3 229.324 -0.046 20 0 BBADHN CC(C)C[C@@H](N)C(=O)NCCC(=O)N(C)C ZINC000037751303 398334060 /nfs/dbraw/zinc/33/40/60/398334060.db2.gz MFPPCYAZTAPEDP-SECBINFHSA-N 0 3 229.324 -0.046 20 0 BBADHN CC(C)[C@H](N)C(=O)NCCC(=O)N(C)C ZINC000037751304 342951483 /nfs/dbraw/zinc/95/14/83/342951483.db2.gz HSFHIBMKBVQOCN-VIFPVBQESA-N 0 3 215.297 -0.436 20 0 BBADHN CC(C)[C@@H](N)C(=O)NCCC(=O)N(C)C ZINC000037751305 384528922 /nfs/dbraw/zinc/52/89/22/384528922.db2.gz HSFHIBMKBVQOCN-SECBINFHSA-N 0 3 215.297 -0.436 20 0 BBADHN CC[C@@H](C)[C@H](N)C(=O)NCCC(=O)N(C)C ZINC000037751310 344580835 /nfs/dbraw/zinc/58/08/35/344580835.db2.gz HMNBAYCDCPZSGU-SCZZXKLOSA-N 0 3 229.324 -0.046 20 0 BBADHN CC[C@H](C)[C@H](N)C(=O)NCCC(=O)N(C)C ZINC000037751311 171394336 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CC[C@@H](N)C(=O)N[C@@H](C)CN1CCCC1=O ZINC000037769296 358093697 /nfs/dbraw/zinc/09/36/97/358093697.db2.gz SQUGAINONXCTTD-DTWKUNHWSA-N 0 3 227.308 -0.149 20 0 BBADHN CC[C@H](N)C(=O)N[C@H](C)CN1CCCC1=O ZINC000037769297 383846380 /nfs/dbraw/zinc/84/63/80/383846380.db2.gz SQUGAINONXCTTD-BDAKNGLRSA-N 0 3 227.308 -0.149 20 0 BBADHN CC[C@@H](N)C(=O)N[C@H](C)CN1CCCC1=O ZINC000037769298 358093621 /nfs/dbraw/zinc/09/36/21/358093621.db2.gz SQUGAINONXCTTD-RKDXNWHRSA-N 0 3 227.308 -0.149 20 0 BBADHN C[C@@H](CN1CCCC1=O)NC(=O)CNC1CC1 ZINC000037769301 358093739 /nfs/dbraw/zinc/09/37/39/358093739.db2.gz NBRFBESWDCWWIJ-VIFPVBQESA-N 0 3 239.319 -0.135 20 0 BBADHN C[C@H](CN1CCCC1=O)NC(=O)CNC1CC1 ZINC000037769302 358093876 /nfs/dbraw/zinc/09/38/76/358093876.db2.gz NBRFBESWDCWWIJ-SECBINFHSA-N 0 3 239.319 -0.135 20 0 BBADHN C[C@H](N)C(=O)N[C@@H](C)C(=O)N1CCCCC1 ZINC000037769687 344585496 /nfs/dbraw/zinc/58/54/96/344585496.db2.gz CPXUBCRBVMOFAM-IUCAKERBSA-N 0 3 227.308 -0.149 20 0 BBADHN C[C@@H](N)C(=O)N[C@@H](C)C(=O)N1CCCCC1 ZINC000037769688 383848303 /nfs/dbraw/zinc/84/83/03/383848303.db2.gz CPXUBCRBVMOFAM-BDAKNGLRSA-N 0 3 227.308 -0.149 20 0 BBADHN CNCC(=O)N[C@@H](C)C(=O)N1CCCCC1 ZINC000037769713 173330513 /nfs/dbraw/zinc/33/05/13/173330513.db2.gz JXSBBABMBSGXJO-VIFPVBQESA-N 0 3 227.308 -0.277 20 0 BBADHN NCC(=O)N1CCN(C[C@H]2CCCO2)CC1 ZINC000037799516 181351026 /nfs/dbraw/zinc/35/10/26/181351026.db2.gz VGOPDPRMYKMKQP-SNVBAGLBSA-N 0 3 227.308 -0.732 20 0 BBADHN NCC(=O)N1CCN(C[C@@H]2CCCO2)CC1 ZINC000037799517 181349614 /nfs/dbraw/zinc/34/96/14/181349614.db2.gz VGOPDPRMYKMKQP-JTQLQIEISA-N 0 3 227.308 -0.732 20 0 BBADHN CNCC(=O)N1CCN(C[C@@H]2CCCO2)CC1 ZINC000037799548 173325961 /nfs/dbraw/zinc/32/59/61/173325961.db2.gz DNQNIZKUEUFQEH-NSHDSACASA-N 0 3 241.335 -0.471 20 0 BBADHN CNCC(=O)N1CCN(C[C@H]2CCCO2)CC1 ZINC000037799549 173327025 /nfs/dbraw/zinc/32/70/25/173327025.db2.gz DNQNIZKUEUFQEH-LLVKDONJSA-N 0 3 241.335 -0.471 20 0 BBADHN CCNC(=O)CN(CC)C(=O)[C@@H](C)N 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/nfs/dbraw/zinc/80/78/02/537807802.db2.gz YJQKANMIGCFMIR-UHFFFAOYSA-N 0 3 227.289 -0.052 20 0 BBADHN N[C@H](CNS(N)(=O)=O)c1ccccc1 ZINC000167511561 538941975 /nfs/dbraw/zinc/94/19/75/538941975.db2.gz USSCMPLQHCXOEZ-MRVPVSSYSA-N 0 3 215.278 -0.521 20 0 BBADHN N[C@@H](CNS(N)(=O)=O)c1ccccc1 ZINC000167511678 538941983 /nfs/dbraw/zinc/94/19/83/538941983.db2.gz USSCMPLQHCXOEZ-QMMMGPOBSA-N 0 3 215.278 -0.521 20 0 BBADHN NS(=O)(=O)NCCCNCc1cccnc1 ZINC000167511779 538941933 /nfs/dbraw/zinc/94/19/33/538941933.db2.gz QWVFPLDSKOUEIM-UHFFFAOYSA-N 0 3 244.320 -0.646 20 0 BBADHN CCN(CCN)C(=O)[C@@H](C)S(C)(=O)=O ZINC000167619460 384874827 /nfs/dbraw/zinc/87/48/27/384874827.db2.gz FFHJXHGOOAALIP-SSDOTTSWSA-N 0 3 222.310 -0.773 20 0 BBADHN CCN(CCN)C(=O)[C@H](C)S(C)(=O)=O ZINC000167619574 387859083 /nfs/dbraw/zinc/85/90/83/387859083.db2.gz FFHJXHGOOAALIP-ZETCQYMHSA-N 0 3 222.310 -0.773 20 0 BBADHN C[C@@H](N)C(=O)N[C@@H](C)[C@@H](C)N1CCOCC1 ZINC000167689522 134153631 /nfs/dbraw/zinc/15/36/31/134153631.db2.gz JWEOOXBLBAKFCH-KXUCPTDWSA-N 0 3 229.324 -0.441 20 0 BBADHN C[C@@H](N)C(=O)N[C@H](C)[C@@H](C)N1CCOCC1 ZINC000167689626 134153839 /nfs/dbraw/zinc/15/38/39/134153839.db2.gz JWEOOXBLBAKFCH-OPRDCNLKSA-N 0 3 229.324 -0.441 20 0 BBADHN C[C@@H](N)C(=O)N[C@@H](C)[C@H](C)N1CCOCC1 ZINC000167689733 134153663 /nfs/dbraw/zinc/15/36/63/134153663.db2.gz JWEOOXBLBAKFCH-UTLUCORTSA-N 0 3 229.324 -0.441 20 0 BBADHN C[C@@H](N)C(=O)N[C@H](C)[C@H](C)N1CCOCC1 ZINC000167689826 134153544 /nfs/dbraw/zinc/15/35/44/134153544.db2.gz JWEOOXBLBAKFCH-BBBLOLIVSA-N 0 3 229.324 -0.441 20 0 BBADHN C[C@H]([C@H](C)NC(=O)[C@H](C)N)N1CCOCC1 ZINC000167692145 134154047 /nfs/dbraw/zinc/15/40/47/134154047.db2.gz JWEOOXBLBAKFCH-LPEHRKFASA-N 0 3 229.324 -0.441 20 0 BBADHN C[C@@H](NC(=O)[C@H](C)N)[C@@H](C)N1CCOCC1 ZINC000167692258 134153862 /nfs/dbraw/zinc/15/38/62/134153862.db2.gz JWEOOXBLBAKFCH-IVZWLZJFSA-N 0 3 229.324 -0.441 20 0 BBADHN C[C@H](N)C(=O)N[C@@H](C)[C@H](C)N1CCOCC1 ZINC000167692369 134153706 /nfs/dbraw/zinc/15/37/06/134153706.db2.gz JWEOOXBLBAKFCH-GUBZILKMSA-N 0 3 229.324 -0.441 20 0 BBADHN C[C@@H](NC(=O)[C@H](C)N)[C@H](C)N1CCOCC1 ZINC000167692466 134153934 /nfs/dbraw/zinc/15/39/34/134153934.db2.gz JWEOOXBLBAKFCH-AEJSXWLSSA-N 0 3 229.324 -0.441 20 0 BBADHN CC[C@@H](C)N1CCN(C[C@H](O)CO)CC1 ZINC000167708147 640741334 /nfs/dbraw/zinc/74/13/34/640741334.db2.gz USRNWHKGFBUOMY-MNOVXSKESA-N 0 3 216.325 -0.244 20 0 BBADHN CC[C@H](C)N1CCN(C[C@H](O)CO)CC1 ZINC000167708252 640739969 /nfs/dbraw/zinc/73/99/69/640739969.db2.gz USRNWHKGFBUOMY-QWRGUYRKSA-N 0 3 216.325 -0.244 20 0 BBADHN CC[C@@H](C)N1CCN(C[C@@H](O)CO)CC1 ZINC000167708363 633132351 /nfs/dbraw/zinc/13/23/51/633132351.db2.gz USRNWHKGFBUOMY-GHMZBOCLSA-N 0 3 216.325 -0.244 20 0 BBADHN CC[C@H](C)N1CCN(C[C@@H](O)CO)CC1 ZINC000167708492 640740653 /nfs/dbraw/zinc/74/06/53/640740653.db2.gz USRNWHKGFBUOMY-WDEREUQCSA-N 0 3 216.325 -0.244 20 0 BBADHN C[C@@H](CN(C)C)NC[C@H](C)S(C)(=O)=O ZINC000167716041 364806430 /nfs/dbraw/zinc/80/64/30/364806430.db2.gz RRJDZGFQXYNERG-IUCAKERBSA-N 0 3 222.354 -0.041 20 0 BBADHN C[C@H](CN[C@@H](C)CN(C)C)S(C)(=O)=O ZINC000167716143 364805839 /nfs/dbraw/zinc/80/58/39/364805839.db2.gz RRJDZGFQXYNERG-DTWKUNHWSA-N 0 3 222.354 -0.041 20 0 BBADHN CC(C(=O)N1CCCO1)S(C)(=O)=O ZINC000167790666 206148266 /nfs/dbraw/zinc/14/82/66/206148266.db2.gz GYUXSQHMQVXSMJ-LURJTMIESA-N 0 3 207.251 -0.417 20 0 BBADHN CC(C(=O)N1CCCO1)S(C)(=O)=O ZINC000167790759 206148372 /nfs/dbraw/zinc/14/83/72/206148372.db2.gz GYUXSQHMQVXSMJ-ZCFIWIBFSA-N 0 3 207.251 -0.417 20 0 BBADHN CC(C(=O)N1CCCCO1)S(C)(=O)=O ZINC000167790892 385032638 /nfs/dbraw/zinc/03/26/38/385032638.db2.gz JCCPAQUTKPRNPG-ZETCQYMHSA-N 0 3 221.278 -0.027 20 0 BBADHN CC(C(=O)N1CCCCO1)S(C)(=O)=O ZINC000167790975 206146891 /nfs/dbraw/zinc/14/68/91/206146891.db2.gz JCCPAQUTKPRNPG-SSDOTTSWSA-N 0 3 221.278 -0.027 20 0 BBADHN CC(C(=O)N1CC(C)(O)C1)S(C)(=O)=O ZINC000167798023 206148708 /nfs/dbraw/zinc/14/87/08/206148708.db2.gz CVJYBIMEJAITLM-LURJTMIESA-N 0 3 221.278 -0.987 20 0 BBADHN CC(C(=O)N1CC(C)(O)C1)S(C)(=O)=O ZINC000167798140 206146989 /nfs/dbraw/zinc/14/69/89/206146989.db2.gz CVJYBIMEJAITLM-ZCFIWIBFSA-N 0 3 221.278 -0.987 20 0 BBADHN CCC1(O)CN(C(=O)C(C)S(C)(=O)=O)C1 ZINC000167798515 206148663 /nfs/dbraw/zinc/14/86/63/206148663.db2.gz IXONAUZPIOSWPS-SSDOTTSWSA-N 0 3 235.305 -0.597 20 0 BBADHN CCC1(O)CN(C(=O)C(C)S(C)(=O)=O)C1 ZINC000167798618 206147185 /nfs/dbraw/zinc/14/71/85/206147185.db2.gz IXONAUZPIOSWPS-ZETCQYMHSA-N 0 3 235.305 -0.597 20 0 BBADHN CC(C(=O)N1CC(O)(C2CC2)C1)S(C)(=O)=O ZINC000167799174 134153742 /nfs/dbraw/zinc/15/37/42/134153742.db2.gz NOTGBNXNEWBCLG-ZETCQYMHSA-N 0 3 247.316 -0.597 20 0 BBADHN CC(C(=O)N1CC(O)(C2CC2)C1)S(C)(=O)=O ZINC000167799288 134153785 /nfs/dbraw/zinc/15/37/85/134153785.db2.gz NOTGBNXNEWBCLG-SSDOTTSWSA-N 0 3 247.316 -0.597 20 0 BBADHN CCc1nn(C)cc1CNC[C@H](O)CO ZINC000167870042 538944404 /nfs/dbraw/zinc/94/44/04/538944404.db2.gz ZFXGRNISOFBQQW-VIFPVBQESA-N 0 3 213.281 -0.575 20 0 BBADHN CCc1nn(C)cc1CNC[C@@H](O)CO ZINC000167870867 582498306 /nfs/dbraw/zinc/49/83/06/582498306.db2.gz ZFXGRNISOFBQQW-SECBINFHSA-N 0 3 213.281 -0.575 20 0 BBADHN CCc1nn(C)cc1CNC[C@](C)(O)CO ZINC000167874996 538944678 /nfs/dbraw/zinc/94/46/78/538944678.db2.gz XBBCYGVZZUACDZ-NSHDSACASA-N 0 3 227.308 -0.185 20 0 BBADHN CCc1nn(C)cc1CNC[C@@](C)(O)CO ZINC000167875102 538944417 /nfs/dbraw/zinc/94/44/17/538944417.db2.gz XBBCYGVZZUACDZ-LLVKDONJSA-N 0 3 227.308 -0.185 20 0 BBADHN CN(C(=O)CN)[C@@H]1CCCN(c2cccnn2)C1 ZINC000167894586 385340483 /nfs/dbraw/zinc/34/04/83/385340483.db2.gz IDRDJMDVFBGZDI-SNVBAGLBSA-N 0 3 249.318 -0.138 20 0 BBADHN CN(C(=O)CN)[C@H]1CCCN(c2cccnn2)C1 ZINC000167894702 385340704 /nfs/dbraw/zinc/34/07/04/385340704.db2.gz IDRDJMDVFBGZDI-JTQLQIEISA-N 0 3 249.318 -0.138 20 0 BBADHN CN(C[C@@H]1CCCN1c1cccnn1)C(=O)CN ZINC000167926982 134154838 /nfs/dbraw/zinc/15/48/38/134154838.db2.gz VMSSKDJMMZBOTL-JTQLQIEISA-N 0 3 249.318 -0.138 20 0 BBADHN CN(C[C@H]1CCCN1c1cccnn1)C(=O)CN ZINC000167927083 134155108 /nfs/dbraw/zinc/15/51/08/134155108.db2.gz VMSSKDJMMZBOTL-SNVBAGLBSA-N 0 3 249.318 -0.138 20 0 BBADHN C[C@@H](O)CN1CCN(C(=O)[C@H](C)N)C[C@H]1C ZINC000167989797 206146864 /nfs/dbraw/zinc/14/68/64/206146864.db2.gz WPAWSKXKDLLDRA-BBBLOLIVSA-N 0 3 229.324 -0.753 20 0 BBADHN C[C@@H](O)CN1CCN(C(=O)[C@H](C)N)C[C@@H]1C ZINC000167989914 206148505 /nfs/dbraw/zinc/14/85/05/206148505.db2.gz WPAWSKXKDLLDRA-AEJSXWLSSA-N 0 3 229.324 -0.753 20 0 BBADHN CC[C@@H]1CN(C(=O)[C@@H](C)N)CCN1C[C@@H](C)O ZINC000168004212 134155436 /nfs/dbraw/zinc/15/54/36/134155436.db2.gz UZOKTDCYTDRKFH-GMTAPVOTSA-N 0 3 243.351 -0.363 20 0 BBADHN CC[C@H]1CN(C(=O)[C@@H](C)N)CCN1C[C@@H](C)O ZINC000168004319 206148145 /nfs/dbraw/zinc/14/81/45/206148145.db2.gz UZOKTDCYTDRKFH-MXWKQRLJSA-N 0 3 243.351 -0.363 20 0 BBADHN CO[C@@H](C)CNC(=O)CN1CCNCC1 ZINC000168008257 386090553 /nfs/dbraw/zinc/09/05/53/386090553.db2.gz VXCAOKHVXYVOPT-VIFPVBQESA-N 0 3 215.297 -0.957 20 0 BBADHN CO[C@H](C)CNC(=O)CN1CCNCC1 ZINC000168008365 388256338 /nfs/dbraw/zinc/25/63/38/388256338.db2.gz VXCAOKHVXYVOPT-SECBINFHSA-N 0 3 215.297 -0.957 20 0 BBADHN CC[C@@H]1CN(C(=O)[C@H](C)N)CCN1C[C@@H](C)O ZINC000168009597 134155123 /nfs/dbraw/zinc/15/51/23/134155123.db2.gz UZOKTDCYTDRKFH-OUAUKWLOSA-N 0 3 243.351 -0.363 20 0 BBADHN CC[C@H]1CN(C(=O)[C@H](C)N)CCN1C[C@@H](C)O ZINC000168009703 206147371 /nfs/dbraw/zinc/14/73/71/206147371.db2.gz UZOKTDCYTDRKFH-VWYCJHECSA-N 0 3 243.351 -0.363 20 0 BBADHN COCCN1CCN(C(=O)[C@H](C)N)C[C@H]1C ZINC000168028913 134155580 /nfs/dbraw/zinc/15/55/80/134155580.db2.gz QQKPKHOGGCKUNA-ZJUUUORDSA-N 0 3 229.324 -0.487 20 0 BBADHN COCCN1CCN(C(=O)[C@H](C)N)C[C@@H]1C ZINC000168029022 134155695 /nfs/dbraw/zinc/15/56/95/134155695.db2.gz QQKPKHOGGCKUNA-UWVGGRQHSA-N 0 3 229.324 -0.487 20 0 BBADHN CC[C@@H]1CN(C(=O)[C@H](C)N)CCN1CCOC ZINC000168066928 134155747 /nfs/dbraw/zinc/15/57/47/134155747.db2.gz RGVWYHRHUUUMCH-WDEREUQCSA-N 0 3 243.351 -0.097 20 0 BBADHN CC[C@H]1CN(C(=O)[C@H](C)N)CCN1CCOC ZINC000168067021 134155710 /nfs/dbraw/zinc/15/57/10/134155710.db2.gz RGVWYHRHUUUMCH-QWRGUYRKSA-N 0 3 243.351 -0.097 20 0 BBADHN C[C@H](N[C@@H]1C[C@H](O)C1(C)C)C(=O)NC(N)=O ZINC000168210989 364882121 /nfs/dbraw/zinc/88/21/21/364882121.db2.gz JQYYOBNAGGTBCA-XVMARJQXSA-N 0 3 229.280 -0.681 20 0 BBADHN C[C@H](N[C@H]1C[C@H](O)C1(C)C)C(=O)NC(N)=O ZINC000168211207 364881989 /nfs/dbraw/zinc/88/19/89/364881989.db2.gz JQYYOBNAGGTBCA-ACZMJKKPSA-N 0 3 229.280 -0.681 20 0 BBADHN CC[C@H](N[C@@H]1C[C@H](O)C1(C)C)C(N)=O ZINC000168217169 364883202 /nfs/dbraw/zinc/88/32/02/364883202.db2.gz RDFIAMOWVHTJMP-RNJXMRFFSA-N 0 3 200.282 -0.001 20 0 BBADHN CC[C@H](N[C@H]1C[C@H](O)C1(C)C)C(N)=O ZINC000168217386 364884111 /nfs/dbraw/zinc/88/41/11/364884111.db2.gz RDFIAMOWVHTJMP-FXQIFTODSA-N 0 3 200.282 -0.001 20 0 BBADHN C[NH2+]C[C@H](C)C[N-]S(=O)(=O)c1cn(C)cn1 ZINC000168318804 134196418 /nfs/dbraw/zinc/19/64/18/134196418.db2.gz DAMQOIFKFGIZRP-QMMMGPOBSA-N 0 3 246.336 -0.446 20 0 BBADHN C[NH2+]C[C@@H](C)C[N-]S(=O)(=O)c1cn(C)cn1 ZINC000168318908 134196232 /nfs/dbraw/zinc/19/62/32/134196232.db2.gz DAMQOIFKFGIZRP-MRVPVSSYSA-N 0 3 246.336 -0.446 20 0 BBADHN C[NH2+]C[C@H](C)C[N-]S(=O)(=O)c1c[nH]cn1 ZINC000168328476 134197858 /nfs/dbraw/zinc/19/78/58/134197858.db2.gz DHHLUBXYYDQJQU-ZETCQYMHSA-N 0 3 232.309 -0.457 20 0 BBADHN C[NH2+]C[C@@H](C)C[N-]S(=O)(=O)c1c[nH]cn1 ZINC000168328579 385355522 /nfs/dbraw/zinc/35/55/22/385355522.db2.gz DHHLUBXYYDQJQU-SSDOTTSWSA-N 0 3 232.309 -0.457 20 0 BBADHN CC(C(=O)N[C@@H]1C[C@H](O)C1(C)C)S(C)(=O)=O ZINC000168357684 386846187 /nfs/dbraw/zinc/84/61/87/386846187.db2.gz YETVVGFZZSDUCG-PRJMDXOYSA-N 0 3 249.332 -0.305 20 0 BBADHN CC(C(=O)N[C@H]1C[C@H](O)C1(C)C)S(C)(=O)=O ZINC000168357898 534295741 /nfs/dbraw/zinc/29/57/41/534295741.db2.gz YETVVGFZZSDUCG-CSMHCCOUSA-N 0 3 249.332 -0.305 20 0 BBADHN CCn1cnc(S(=O)(=O)[N-]CC(C)(C)[NH3+])c1 ZINC000168384184 134197786 /nfs/dbraw/zinc/19/77/86/134197786.db2.gz AGNDQOAYLQPOSK-UHFFFAOYSA-N 0 3 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/nfs/dbraw/zinc/49/59/91/386495991.db2.gz KQWDISFAUMKPHF-SSDOTTSWSA-N 0 3 210.299 -0.840 20 0 BBADHN CNS(=O)(=O)CCN[C@@H](COC)C1CC1 ZINC000187198973 386492785 /nfs/dbraw/zinc/49/27/85/386492785.db2.gz LUYVBYCOMQPMKB-VIFPVBQESA-N 0 3 236.337 -0.450 20 0 BBADHN CNS(=O)(=O)CCN[C@H](COC)C1CC1 ZINC000187198989 386492669 /nfs/dbraw/zinc/49/26/69/386492669.db2.gz LUYVBYCOMQPMKB-SECBINFHSA-N 0 3 236.337 -0.450 20 0 BBADHN CNS(=O)(=O)CCN[C@@H]1CCO[C@@H]1C ZINC000187199710 386494758 /nfs/dbraw/zinc/49/47/58/386494758.db2.gz UMXMMIDGYIQLMG-HTQZYQBOSA-N 0 3 222.310 -0.697 20 0 BBADHN CNS(=O)(=O)CCN[C@@H]1CCO[C@H]1C ZINC000187199727 386495522 /nfs/dbraw/zinc/49/55/22/386495522.db2.gz UMXMMIDGYIQLMG-JGVFFNPUSA-N 0 3 222.310 -0.697 20 0 BBADHN CNS(=O)(=O)CCN[C@H]1CCO[C@@H]1C ZINC000187199748 384925169 /nfs/dbraw/zinc/92/51/69/384925169.db2.gz UMXMMIDGYIQLMG-SFYZADRCSA-N 0 3 222.310 -0.697 20 0 BBADHN CNS(=O)(=O)CCN[C@H]1CCO[C@H]1C ZINC000187199768 386496224 /nfs/dbraw/zinc/49/62/24/386496224.db2.gz 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CNC(=O)CC(=O)N(C)CCN(C)C ZINC000187621808 173228930 /nfs/dbraw/zinc/22/89/30/173228930.db2.gz JLRLVZPLWYOSIE-UHFFFAOYSA-N 0 3 201.270 -0.858 20 0 BBADHN C[C@@H]1CN(CC(C)(C)O)CCN1CCO ZINC000187650226 259381152 /nfs/dbraw/zinc/38/11/52/259381152.db2.gz IYVGSPVGCNVQKO-SNVBAGLBSA-N 0 3 216.325 -0.244 20 0 BBADHN C[C@H]1CN(CC(C)(C)O)CCN1CCO ZINC000187650246 324183695 /nfs/dbraw/zinc/18/36/95/324183695.db2.gz IYVGSPVGCNVQKO-JTQLQIEISA-N 0 3 216.325 -0.244 20 0 BBADHN Cn1cccc1CN1C[C@@H](O)C[C@H]1CO ZINC000187670900 384973243 /nfs/dbraw/zinc/97/32/43/384973243.db2.gz SZSKWDXJVSWOQC-QWRGUYRKSA-N 0 3 210.277 -0.047 20 0 BBADHN COC(=O)CCCN1CCN(CCO)[C@H](C)C1 ZINC000187679248 386579887 /nfs/dbraw/zinc/57/98/87/386579887.db2.gz QCPWSOSWNTWHTJ-LLVKDONJSA-N 0 3 244.335 -0.062 20 0 BBADHN COC(=O)CCCN1CCN(CCO)[C@@H](C)C1 ZINC000187679268 386581486 /nfs/dbraw/zinc/58/14/86/386581486.db2.gz QCPWSOSWNTWHTJ-NSHDSACASA-N 0 3 244.335 -0.062 20 0 BBADHN COCC1=CCN(CCCS(N)(=O)=O)CC1 ZINC000187692205 387222334 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CSC[C@@H](O)CN(C)CCN1CCOCC1 ZINC000187815063 259363653 /nfs/dbraw/zinc/36/36/53/259363653.db2.gz FSIZGGPHKQHONJ-NSHDSACASA-N 0 3 248.392 -0.026 20 0 BBADHN CSC[C@H](O)CN(C)CCN1CCOCC1 ZINC000187815085 259363596 /nfs/dbraw/zinc/36/35/96/259363596.db2.gz FSIZGGPHKQHONJ-LLVKDONJSA-N 0 3 248.392 -0.026 20 0 BBADHN CNC(=O)CC(=O)N[C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000187821236 386601997 /nfs/dbraw/zinc/60/19/97/386601997.db2.gz LCDXWHQFFDQUOQ-BDAKNGLRSA-N 0 3 239.319 -0.136 20 0 BBADHN CNC(=O)CC(=O)N[C@H]1C[C@H](C)N(C2CC2)C1 ZINC000187821261 386602375 /nfs/dbraw/zinc/60/23/75/386602375.db2.gz LCDXWHQFFDQUOQ-IUCAKERBSA-N 0 3 239.319 -0.136 20 0 BBADHN CNC(=O)CC(=O)N[C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000187821283 386602557 /nfs/dbraw/zinc/60/25/57/386602557.db2.gz LCDXWHQFFDQUOQ-RKDXNWHRSA-N 0 3 239.319 -0.136 20 0 BBADHN CNC(=O)CC(=O)N[C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000187821305 386602530 /nfs/dbraw/zinc/60/25/30/386602530.db2.gz LCDXWHQFFDQUOQ-DTWKUNHWSA-N 0 3 239.319 -0.136 20 0 BBADHN 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/nfs/dbraw/zinc/31/90/53/384319053.db2.gz NGHOQRHGRBKTGY-GXSJLCMTSA-N 0 3 230.308 -0.548 20 0 BBADHN CN(C)C[C@@](C)(O)CNC(=O)N(C)C ZINC000228754950 386556626 /nfs/dbraw/zinc/55/66/26/386556626.db2.gz GNNBCKQKSXTRHR-VIFPVBQESA-N 0 3 203.286 -0.430 20 0 BBADHN CN(C)C[C@](C)(O)CNC(=O)N(C)C ZINC000228754960 386558022 /nfs/dbraw/zinc/55/80/22/386558022.db2.gz GNNBCKQKSXTRHR-SECBINFHSA-N 0 3 203.286 -0.430 20 0 BBADHN CN(C)C[C@@](C)(O)CNC(=O)c1cnn(C)c1 ZINC000228755764 387124763 /nfs/dbraw/zinc/12/47/63/387124763.db2.gz QFBHIEWKVCJAQL-NSHDSACASA-N 0 3 240.307 -0.538 20 0 BBADHN CN(C)C[C@](C)(O)CNC(=O)c1cnn(C)c1 ZINC000228755776 387123822 /nfs/dbraw/zinc/12/38/22/387123822.db2.gz QFBHIEWKVCJAQL-LLVKDONJSA-N 0 3 240.307 -0.538 20 0 BBADHN CC(C)OCC(=O)NC[C@@](C)(O)CN(C)C ZINC000228757220 387124166 /nfs/dbraw/zinc/12/41/66/387124166.db2.gz IVWXFFXQXVDUFE-LLVKDONJSA-N 0 3 232.324 -0.160 20 0 BBADHN CC(C)OCC(=O)NC[C@](C)(O)CN(C)C ZINC000228757231 387125097 /nfs/dbraw/zinc/12/50/97/387125097.db2.gz IVWXFFXQXVDUFE-NSHDSACASA-N 0 3 232.324 -0.160 20 0 BBADHN CC(C)OC[C@@H](O)CNCC(=O)N1CCCC1 ZINC000228813971 487733480 /nfs/dbraw/zinc/73/34/80/487733480.db2.gz PIGGWKSRVGDBNG-NSHDSACASA-N 0 3 244.335 -0.016 20 0 BBADHN CC(C)OC[C@H](O)CNCC(=O)N1CCCC1 ZINC000228813979 487734568 /nfs/dbraw/zinc/73/45/68/487734568.db2.gz PIGGWKSRVGDBNG-LLVKDONJSA-N 0 3 244.335 -0.016 20 0 BBADHN CCOC[C@@H](O)CNCC(=O)N1CCCCC1 ZINC000228814353 358386114 /nfs/dbraw/zinc/38/61/14/358386114.db2.gz LUKLUXCLMFGTEY-NSHDSACASA-N 0 3 244.335 -0.014 20 0 BBADHN CCOC[C@H](O)CNCC(=O)N1CCCCC1 ZINC000228814362 358386142 /nfs/dbraw/zinc/38/61/42/358386142.db2.gz LUKLUXCLMFGTEY-LLVKDONJSA-N 0 3 244.335 -0.014 20 0 BBADHN COC(=O)[C@](C)(O)CN1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000228816812 388388221 /nfs/dbraw/zinc/38/82/21/388388221.db2.gz BCZIULJOXQSZMB-JFGNBEQYSA-N 0 3 244.335 -0.065 20 0 BBADHN NC1(C(=O)NCC(=O)N2CCCCC2)CCC1 ZINC000228822491 181326150 /nfs/dbraw/zinc/32/61/50/181326150.db2.gz SYTDFYUUZNGRLV-UHFFFAOYSA-N 0 3 239.319 -0.004 20 0 BBADHN CNC(=O)NC(=O)[C@H](C)N[C@@H]1C[C@@H](O)C1(C)C ZINC000228859359 358386190 /nfs/dbraw/zinc/38/61/90/358386190.db2.gz SOQYZEPSBIOVIZ-XLPZGREQSA-N 0 3 243.307 -0.421 20 0 BBADHN CNC(=O)NC(=O)[C@H](C)N[C@H]1C[C@@H](O)C1(C)C ZINC000228859378 358386365 /nfs/dbraw/zinc/38/63/65/358386365.db2.gz SOQYZEPSBIOVIZ-BIIVOSGPSA-N 0 3 243.307 -0.421 20 0 BBADHN C[C@H](N[C@@H]1C[C@@H](O)C1(C)C)C(=O)NC(N)=O ZINC000228859422 358386408 /nfs/dbraw/zinc/38/64/08/358386408.db2.gz JQYYOBNAGGTBCA-RRKCRQDMSA-N 0 3 229.280 -0.681 20 0 BBADHN C[C@H](N[C@H]1C[C@@H](O)C1(C)C)C(=O)NC(N)=O ZINC000228859438 358386463 /nfs/dbraw/zinc/38/64/63/358386463.db2.gz JQYYOBNAGGTBCA-LYFYHCNISA-N 0 3 229.280 -0.681 20 0 BBADHN CC[C@H](N[C@@H]1C[C@@H](O)C1(C)C)C(N)=O ZINC000228860901 358387218 /nfs/dbraw/zinc/38/72/18/358387218.db2.gz RDFIAMOWVHTJMP-XLPZGREQSA-N 0 3 200.282 -0.001 20 0 BBADHN CC[C@H](N[C@H]1C[C@@H](O)C1(C)C)C(N)=O ZINC000228860922 358387006 /nfs/dbraw/zinc/38/70/06/358387006.db2.gz RDFIAMOWVHTJMP-BIIVOSGPSA-N 0 3 200.282 -0.001 20 0 BBADHN CC(C(=O)N[C@@H]1C[C@@H](O)C1(C)C)S(C)(=O)=O ZINC000228894602 385905711 /nfs/dbraw/zinc/90/57/11/385905711.db2.gz YETVVGFZZSDUCG-BWZBUEFSSA-N 0 3 249.332 -0.305 20 0 BBADHN CC(C(=O)N[C@H]1C[C@@H](O)C1(C)C)S(C)(=O)=O ZINC000228894631 385905669 /nfs/dbraw/zinc/90/56/69/385905669.db2.gz YETVVGFZZSDUCG-GJMOJQLCSA-N 0 3 249.332 -0.305 20 0 BBADHN C[C@H](C[S@@](C)=O)NC[C@@H](O)CN1CCCC1 ZINC000228981683 372100892 /nfs/dbraw/zinc/10/08/92/372100892.db2.gz OZXXUIHWRMVVSW-GLKRBJQHSA-N 0 3 248.392 -0.200 20 0 BBADHN C[C@H](C[S@](C)=O)NC[C@@H](O)CN1CCCC1 ZINC000228981714 372100280 /nfs/dbraw/zinc/10/02/80/372100280.db2.gz OZXXUIHWRMVVSW-UVWXRNBGSA-N 0 3 248.392 -0.200 20 0 BBADHN CC(C)[C@H](N)C(=O)N[C@@H](C)C[S@@](C)=O ZINC000228995418 358387215 /nfs/dbraw/zinc/38/72/15/358387215.db2.gz ADXBHDGYBAPPFK-RDOZXCAGSA-N 0 3 220.338 -0.147 20 0 BBADHN CC(C)[C@H](N)C(=O)N[C@H](C)C[S@@](C)=O ZINC000228995429 358387427 /nfs/dbraw/zinc/38/74/27/358387427.db2.gz ADXBHDGYBAPPFK-CYVIZDSUSA-N 0 3 220.338 -0.147 20 0 BBADHN CC(C)[C@H](N)C(=O)N[C@@H](C)C[S@](C)=O ZINC000228995439 358386972 /nfs/dbraw/zinc/38/69/72/358386972.db2.gz ADXBHDGYBAPPFK-FZVNPBSJSA-N 0 3 220.338 -0.147 20 0 BBADHN CC(C)[C@H](N)C(=O)N[C@H](C)C[S@](C)=O ZINC000228995447 358387053 /nfs/dbraw/zinc/38/70/53/358387053.db2.gz ADXBHDGYBAPPFK-KXEKKFMESA-N 0 3 220.338 -0.147 20 0 BBADHN C[C@@H](C[S@@](C)=O)NC(=O)CNC1CC1 ZINC000229002761 358344242 /nfs/dbraw/zinc/34/42/42/358344242.db2.gz VYPJCDLVPUCFNQ-JKYUHCHBSA-N 0 3 218.322 -0.378 20 0 BBADHN C[C@H](C[S@@](C)=O)NC(=O)CNC1CC1 ZINC000229002773 358344352 /nfs/dbraw/zinc/34/43/52/358344352.db2.gz VYPJCDLVPUCFNQ-NXSYQRQQSA-N 0 3 218.322 -0.378 20 0 BBADHN C[C@@H](C[S@](C)=O)NC(=O)CNC1CC1 ZINC000229002787 358344362 /nfs/dbraw/zinc/34/43/62/358344362.db2.gz VYPJCDLVPUCFNQ-WJWGPLDTSA-N 0 3 218.322 -0.378 20 0 BBADHN C[C@H](C[S@](C)=O)NC(=O)CNC1CC1 ZINC000229002799 358344286 /nfs/dbraw/zinc/34/42/86/358344286.db2.gz VYPJCDLVPUCFNQ-UOWDBTKRSA-N 0 3 218.322 -0.378 20 0 BBADHN CCC[C@H](N)C(=O)N[C@@H](C)C[S@@](C)=O ZINC000229003519 358344159 /nfs/dbraw/zinc/34/41/59/358344159.db2.gz MTKJOURPHCHCEC-RDOZXCAGSA-N 0 3 220.338 -0.003 20 0 BBADHN CCC[C@H](N)C(=O)N[C@H](C)C[S@@](C)=O ZINC000229003546 358344403 /nfs/dbraw/zinc/34/44/03/358344403.db2.gz MTKJOURPHCHCEC-CYVIZDSUSA-N 0 3 220.338 -0.003 20 0 BBADHN C[C@@H](C[S@@](C)=O)NC(=O)CNCC1CC1 ZINC000229003689 358344467 /nfs/dbraw/zinc/34/44/67/358344467.db2.gz GGDNCMVFBXVBQM-VXJOIVPMSA-N 0 3 232.349 -0.131 20 0 BBADHN C[C@H](C[S@@](C)=O)NC(=O)CNCC1CC1 ZINC000229003704 358344064 /nfs/dbraw/zinc/34/40/64/358344064.db2.gz GGDNCMVFBXVBQM-ANRSDYALSA-N 0 3 232.349 -0.131 20 0 BBADHN C[C@@H](C[S@](C)=O)NC(=O)CNCC1CC1 ZINC000229003717 358344091 /nfs/dbraw/zinc/34/40/91/358344091.db2.gz GGDNCMVFBXVBQM-AYVTZFPOSA-N 0 3 232.349 -0.131 20 0 BBADHN C[C@H](C[S@](C)=O)NC(=O)CNCC1CC1 ZINC000229003730 358344337 /nfs/dbraw/zinc/34/43/37/358344337.db2.gz GGDNCMVFBXVBQM-GLEZIHRCSA-N 0 3 232.349 -0.131 20 0 BBADHN CN(C)CCNC(=O)c1ccc2n[nH]c(=O)n2c1 ZINC000229009317 521785529 /nfs/dbraw/zinc/78/55/29/521785529.db2.gz WMMMFFSKSOBGTO-UHFFFAOYSA-N 0 3 249.274 -0.686 20 0 BBADHN CCN1CCN(CCN2CCNC2=O)CC1 ZINC000229009778 521682103 /nfs/dbraw/zinc/68/21/03/521682103.db2.gz CZXBEHPRXQFFER-UHFFFAOYSA-N 0 3 226.324 -0.351 20 0 BBADHN CC(C)(CNC(=O)CNC1CC1)C(N)=O ZINC000229082113 487816334 /nfs/dbraw/zinc/81/63/34/487816334.db2.gz IJJFPNGLLZAKEZ-UHFFFAOYSA-N 0 3 213.281 -0.634 20 0 BBADHN CCS(=O)(=O)CCNC(=O)CNC1CC1 ZINC000229086278 640921567 /nfs/dbraw/zinc/92/15/67/640921567.db2.gz ACUYDQDDGMIXJD-UHFFFAOYSA-N 0 3 234.321 -0.711 20 0 BBADHN CN1CC[C@@H](NC(=O)CNC2CC2)C1=O ZINC000229086442 358345191 /nfs/dbraw/zinc/34/51/91/358345191.db2.gz XFXNIBNTPBVPSQ-MRVPVSSYSA-N 0 3 211.265 -0.915 20 0 BBADHN CN1CC[C@H](NC(=O)CNC2CC2)C1=O ZINC000229086454 358345053 /nfs/dbraw/zinc/34/50/53/358345053.db2.gz XFXNIBNTPBVPSQ-QMMMGPOBSA-N 0 3 211.265 -0.915 20 0 BBADHN C[C@@H]1CS(=O)(=O)CCN1C(=O)CNC1CC1 ZINC000229086953 490244055 /nfs/dbraw/zinc/24/40/55/490244055.db2.gz BGZZDIFUDQBEIP-MRVPVSSYSA-N 0 3 246.332 -0.616 20 0 BBADHN C[C@H]1CS(=O)(=O)CCN1C(=O)CNC1CC1 ZINC000229086966 487816499 /nfs/dbraw/zinc/81/64/99/487816499.db2.gz BGZZDIFUDQBEIP-QMMMGPOBSA-N 0 3 246.332 -0.616 20 0 BBADHN CNC(=O)[C@@H](C)CN(C)C(=O)CNC1CC1 ZINC000229088861 487818124 /nfs/dbraw/zinc/81/81/24/487818124.db2.gz VSXYWZUITUIDNH-QMMMGPOBSA-N 0 3 227.308 -0.421 20 0 BBADHN CNC(=O)[C@H](C)CN(C)C(=O)CNC1CC1 ZINC000229088872 487818230 /nfs/dbraw/zinc/81/82/30/487818230.db2.gz VSXYWZUITUIDNH-MRVPVSSYSA-N 0 3 227.308 -0.421 20 0 BBADHN O=C(CNC1CC1)NCCN1CCSCC1 ZINC000229091711 358344795 /nfs/dbraw/zinc/34/47/95/358344795.db2.gz KBIJISZNBWCRCM-UHFFFAOYSA-N 0 3 243.376 -0.097 20 0 BBADHN C[C@@H]1CN(C)CCN1C(=O)CNC1CC1 ZINC000229094221 358344826 /nfs/dbraw/zinc/34/48/26/358344826.db2.gz FXQOQYUPMQCAAE-SECBINFHSA-N 0 3 211.309 -0.099 20 0 BBADHN C[C@H]1CN(C)CCN1C(=O)CNC1CC1 ZINC000229094233 358345329 /nfs/dbraw/zinc/34/53/29/358345329.db2.gz FXQOQYUPMQCAAE-VIFPVBQESA-N 0 3 211.309 -0.099 20 0 BBADHN O=S(=O)(NCCC1CCC1)N1CCNCC1 ZINC000229120498 640923771 /nfs/dbraw/zinc/92/37/71/640923771.db2.gz VEBKDRQGTXUNAB-UHFFFAOYSA-N 0 3 247.364 -0.084 20 0 BBADHN COC[C@@H](CO)NC[C@@H](O)COC(C)C ZINC000229174874 487886096 /nfs/dbraw/zinc/88/60/96/487886096.db2.gz YCLCBCGPRZSSMR-NXEZZACHSA-N 0 3 221.297 -0.631 20 0 BBADHN COC[C@H](CO)NC[C@@H](O)COC(C)C ZINC000229174883 358346041 /nfs/dbraw/zinc/34/60/41/358346041.db2.gz YCLCBCGPRZSSMR-VHSXEESVSA-N 0 3 221.297 -0.631 20 0 BBADHN COC[C@@H](CO)NC[C@H](O)COC(C)C ZINC000229174888 487886210 /nfs/dbraw/zinc/88/62/10/487886210.db2.gz YCLCBCGPRZSSMR-ZJUUUORDSA-N 0 3 221.297 -0.631 20 0 BBADHN COC[C@H](CO)NC[C@H](O)COC(C)C ZINC000229174894 358345829 /nfs/dbraw/zinc/34/58/29/358345829.db2.gz YCLCBCGPRZSSMR-UWVGGRQHSA-N 0 3 221.297 -0.631 20 0 BBADHN C[S@@](=O)CCNC[C@@H](O)C(F)(F)F ZINC000229192734 640931978 /nfs/dbraw/zinc/93/19/78/640931978.db2.gz ZBSPCLYVDVCVIT-OLZXVPHOSA-N 0 3 219.228 -0.122 20 0 BBADHN C[S@](=O)CCNC[C@@H](O)C(F)(F)F ZINC000229192744 632527987 /nfs/dbraw/zinc/52/79/87/632527987.db2.gz ZBSPCLYVDVCVIT-GMAUIZIOSA-N 0 3 219.228 -0.122 20 0 BBADHN C[S@@](=O)CCNC[C@H](O)C(F)(F)F ZINC000229192756 640931609 /nfs/dbraw/zinc/93/16/09/640931609.db2.gz ZBSPCLYVDVCVIT-VPROBKIXSA-N 0 3 219.228 -0.122 20 0 BBADHN C[S@](=O)CCNC[C@H](O)C(F)(F)F ZINC000229192767 640931103 /nfs/dbraw/zinc/93/11/03/640931103.db2.gz ZBSPCLYVDVCVIT-QSGQRGAGSA-N 0 3 219.228 -0.122 20 0 BBADHN COC[C@@H](CO)NC[C@@H](O)COCC(C)C ZINC000229198546 487890077 /nfs/dbraw/zinc/89/00/77/487890077.db2.gz QHJULLVEFFPCLZ-GHMZBOCLSA-N 0 3 235.324 -0.383 20 0 BBADHN COC[C@H](CO)NC[C@@H](O)COCC(C)C ZINC000229198560 358346048 /nfs/dbraw/zinc/34/60/48/358346048.db2.gz QHJULLVEFFPCLZ-WDEREUQCSA-N 0 3 235.324 -0.383 20 0 BBADHN COC[C@@H](CO)NC[C@H](O)COCC(C)C ZINC000229198573 487891011 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BBADHN C[C@H]1CN(C)CCN1C(=O)C[C@@H]1COCCN1 ZINC000235718323 177233067 /nfs/dbraw/zinc/23/30/67/177233067.db2.gz BIDNBKHVLMCPJI-WDEREUQCSA-N 0 3 241.335 -0.473 20 0 BBADHN C[C@H]1C[C@H](NC(=O)c2cn[n-]n2)CC[NH2+]1 ZINC000235720103 343058616 /nfs/dbraw/zinc/05/86/16/343058616.db2.gz CFDUDHDYMCXISX-NKWVEPMBSA-N 0 3 209.253 -0.325 20 0 BBADHN C[C@H]1C[C@H](NC(=O)c2cnn[n-]2)CC[NH2+]1 ZINC000235720103 343058614 /nfs/dbraw/zinc/05/86/14/343058614.db2.gz CFDUDHDYMCXISX-NKWVEPMBSA-N 0 3 209.253 -0.325 20 0 BBADHN C[C@H]1C[C@H](NC(=O)c2c[n-]nn2)CC[NH2+]1 ZINC000235720103 343058613 /nfs/dbraw/zinc/05/86/13/343058613.db2.gz CFDUDHDYMCXISX-NKWVEPMBSA-N 0 3 209.253 -0.325 20 0 BBADHN C[C@]1(C(N)=O)CCN(C(=O)C2(N)CCC2)C1 ZINC000235725916 488011122 /nfs/dbraw/zinc/01/11/22/488011122.db2.gz BOZVLVUILGTRPW-JTQLQIEISA-N 0 3 225.292 -0.408 20 0 BBADHN C[C@]1(C(N)=O)CCN(C(=O)C2(N)CCCC2)C1 ZINC000235725937 488010804 /nfs/dbraw/zinc/01/08/04/488010804.db2.gz IQHZHBBZSJHURB-NSHDSACASA-N 0 3 239.319 -0.018 20 0 BBADHN C[C@]1(C(N)=O)CCN(C(=O)CNC2CC2)C1 ZINC000235726639 488011291 /nfs/dbraw/zinc/01/12/91/488011291.db2.gz ZSBAATZSGXVVTB-NSHDSACASA-N 0 3 225.292 -0.538 20 0 BBADHN C[C@]1(C(N)=O)CCN(C(=O)[C@@H]2CCCCN2)C1 ZINC000235729975 491069524 /nfs/dbraw/zinc/06/95/24/491069524.db2.gz XFDSCWGXKSGOCX-CABZTGNLSA-N 0 3 239.319 -0.148 20 0 BBADHN C[C@]1(C(N)=O)CCN(C(=O)[C@H]2CCCCN2)C1 ZINC000235730982 488012154 /nfs/dbraw/zinc/01/21/54/488012154.db2.gz XFDSCWGXKSGOCX-SKDRFNHKSA-N 0 3 239.319 -0.148 20 0 BBADHN C[C@](O)(CN1C[C@H](O)[C@@H](O)C1)c1ccccc1 ZINC000235737755 177448985 /nfs/dbraw/zinc/44/89/85/177448985.db2.gz DIXOFOAJGTXNNL-AVGNSLFASA-N 0 3 237.299 -0.069 20 0 BBADHN C[C@]1(O)CCN(CCN2CCNC2=O)C1 ZINC000235754364 384670041 /nfs/dbraw/zinc/67/00/41/384670041.db2.gz VNLUVDRGLMBNSD-JTQLQIEISA-N 0 3 213.281 -0.532 20 0 BBADHN C[C@H]1C[C@H]([N-]S(=O)(=O)c2c[nH]cn2)CC[NH2+]1 ZINC000235754802 177371544 /nfs/dbraw/zinc/37/15/44/177371544.db2.gz LBFHCUZZBWWQQC-JGVFFNPUSA-N 0 3 244.320 -0.172 20 0 BBADHN Cc1nccn1CCN1C[C@@H](O)[C@H](O)C1 ZINC000235789546 384696381 /nfs/dbraw/zinc/69/63/81/384696381.db2.gz YGVXAYYOBAWCAE-NXEZZACHSA-N 0 3 211.265 -0.771 20 0 BBADHN Cc1nccn1CCN1C[C@H](O)[C@@H](O)C1 ZINC000235789633 384696342 /nfs/dbraw/zinc/69/63/42/384696342.db2.gz YGVXAYYOBAWCAE-UWVGGRQHSA-N 0 3 211.265 -0.771 20 0 BBADHN Cn1cncc1C(=O)NC[C@@H]1CNCCO1 ZINC000236076667 343073982 /nfs/dbraw/zinc/07/39/82/343073982.db2.gz DPWQZYKQELNOHY-QMMMGPOBSA-N 0 3 224.264 -0.862 20 0 BBADHN Cn1cncc1C(=O)NC[C@H]1CNCCO1 ZINC000236077295 343074187 /nfs/dbraw/zinc/07/41/87/343074187.db2.gz DPWQZYKQELNOHY-MRVPVSSYSA-N 0 3 224.264 -0.862 20 0 BBADHN Cn1nccc1CCN1C[C@@H](O)[C@H](O)C1 ZINC000236081066 388377302 /nfs/dbraw/zinc/37/73/02/388377302.db2.gz CEZANKFTDPXKGT-NXEZZACHSA-N 0 3 211.265 -1.000 20 0 BBADHN Cn1nccc1CCN1C[C@H](O)[C@@H](O)C1 ZINC000236081126 388377498 /nfs/dbraw/zinc/37/74/98/388377498.db2.gz CEZANKFTDPXKGT-UWVGGRQHSA-N 0 3 211.265 -1.000 20 0 BBADHN Cn1cc(CCN2C[C@@H](O)[C@H](O)C2)cn1 ZINC000236081966 385027810 /nfs/dbraw/zinc/02/78/10/385027810.db2.gz QETGCHXYHNHWHX-NXEZZACHSA-N 0 3 211.265 -1.000 20 0 BBADHN Cn1cc(CCN2C[C@H](O)[C@@H](O)C2)cn1 ZINC000236082018 385027278 /nfs/dbraw/zinc/02/72/78/385027278.db2.gz QETGCHXYHNHWHX-UWVGGRQHSA-N 0 3 211.265 -1.000 20 0 BBADHN Cn1cnc(C(=O)NC[C@@H]2CNCCO2)c1 ZINC000236099015 343074446 /nfs/dbraw/zinc/07/44/46/343074446.db2.gz XAAJQTOFPVDDTI-QMMMGPOBSA-N 0 3 224.264 -0.862 20 0 BBADHN Cn1cnc(C(=O)NC[C@H]2CNCCO2)c1 ZINC000236100514 343079887 /nfs/dbraw/zinc/07/98/87/343079887.db2.gz XAAJQTOFPVDDTI-MRVPVSSYSA-N 0 3 224.264 -0.862 20 0 BBADHN O=C(NC[C@@H]1COCCN1)C(F)(F)C(F)F ZINC000236158536 635595336 /nfs/dbraw/zinc/59/53/36/635595336.db2.gz FVWRBJMGFJMJPC-RXMQYKEDSA-N 0 3 244.188 -0.009 20 0 BBADHN O=C(NC[C@H]1COCCN1)C(F)(F)C(F)F ZINC000236158776 635596504 /nfs/dbraw/zinc/59/65/04/635596504.db2.gz FVWRBJMGFJMJPC-YFKPBYRVSA-N 0 3 244.188 -0.009 20 0 BBADHN NC(=O)NC(=O)CN[C@@H]1CCO[C@@H]1C1CC1 ZINC000236203001 385071662 /nfs/dbraw/zinc/07/16/62/385071662.db2.gz ZNKXVDKTYJGRFX-VXNVDRBHSA-N 0 3 227.264 -0.662 20 0 BBADHN NC(=O)NC(=O)CN[C@@H]1CCO[C@H]1C1CC1 ZINC000236203087 385072296 /nfs/dbraw/zinc/07/22/96/385072296.db2.gz ZNKXVDKTYJGRFX-APPZFPTMSA-N 0 3 227.264 -0.662 20 0 BBADHN NC(=O)NC(=O)CN[C@H]1CCO[C@@H]1C1CC1 ZINC000236203304 385072769 /nfs/dbraw/zinc/07/27/69/385072769.db2.gz ZNKXVDKTYJGRFX-IONNQARKSA-N 0 3 227.264 -0.662 20 0 BBADHN NC(=O)NC(=O)CN[C@H]1CCO[C@H]1C1CC1 ZINC000236203394 385074470 /nfs/dbraw/zinc/07/44/70/385074470.db2.gz ZNKXVDKTYJGRFX-CBAPKCEASA-N 0 3 227.264 -0.662 20 0 BBADHN Nc1cccc(CN2C[C@H](O)[C@@H](O)C2)c1 ZINC000236374432 346231530 /nfs/dbraw/zinc/23/15/30/346231530.db2.gz DVXQQLNBLPLFLP-QWRGUYRKSA-N 0 3 208.261 -0.194 20 0 BBADHN Nc1cccc(CN2C[C@@H](O)[C@@H](O)C2)c1 ZINC000236374456 488058900 /nfs/dbraw/zinc/05/89/00/488058900.db2.gz DVXQQLNBLPLFLP-PHIMTYICSA-N 0 3 208.261 -0.194 20 0 BBADHN O=C(CN1CCNCC1)NCCOCC1CC1 ZINC000236387690 488058003 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C[C@H](CS(C)(=O)=O)N(C)C(=O)CNC1CC1 ZINC000237434265 343139880 /nfs/dbraw/zinc/13/98/80/343139880.db2.gz LUTMQGJCNFNWCS-MRVPVSSYSA-N 0 3 248.348 -0.370 20 0 BBADHN CC(=O)N(C)CC(=O)N1C[C@@H](C)NC[C@@H]1C ZINC000237444717 398112047 /nfs/dbraw/zinc/11/20/47/398112047.db2.gz KNEKQNJMXOUTMF-BDAKNGLRSA-N 0 3 227.308 -0.327 20 0 BBADHN CC(=O)N(C)CC(=O)N1C[C@@H](C)NC[C@H]1C ZINC000237444748 398111738 /nfs/dbraw/zinc/11/17/38/398111738.db2.gz KNEKQNJMXOUTMF-RKDXNWHRSA-N 0 3 227.308 -0.327 20 0 BBADHN C[C@@H]1CN(C(=O)CSCC(N)=O)[C@@H](C)CN1 ZINC000237445180 398112234 /nfs/dbraw/zinc/11/22/34/398112234.db2.gz BFSXXLVFXZVJBZ-SFYZADRCSA-N 0 3 245.348 -0.586 20 0 BBADHN C[C@@H]1CN(C(=O)CSCC(N)=O)[C@H](C)CN1 ZINC000237445216 176247470 /nfs/dbraw/zinc/24/74/70/176247470.db2.gz BFSXXLVFXZVJBZ-HTQZYQBOSA-N 0 3 245.348 -0.586 20 0 BBADHN C[C@@H]1CN(C(C)(C)CNC(=O)CN)C[C@@H](C)O1 ZINC000237446721 176265799 /nfs/dbraw/zinc/26/57/99/176265799.db2.gz NXFFWQAPLRFMKW-NXEZZACHSA-N 0 3 243.351 -0.051 20 0 BBADHN C[C@@H]1CN(CCCCNC(=O)CN)C[C@@H](C)O1 ZINC000237447203 176287384 /nfs/dbraw/zinc/28/73/84/176287384.db2.gz NNEIPNXTONGDPY-GHMZBOCLSA-N 0 3 243.351 -0.049 20 0 BBADHN C[C@@H](N)C(=O)N1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC000237447393 384201352 /nfs/dbraw/zinc/20/13/52/384201352.db2.gz OKCWMXILBHYYGU-IWSPIJDZSA-N 0 3 225.292 -0.397 20 0 BBADHN C[C@@H](N)C(=O)N1CC(=O)N[C@H]2CCCC[C@H]21 ZINC000237447424 384202274 /nfs/dbraw/zinc/20/22/74/384202274.db2.gz OKCWMXILBHYYGU-HRDYMLBCSA-N 0 3 225.292 -0.397 20 0 BBADHN C[C@@H]1CN(CCCNC(=O)CN)C[C@@H](C)O1 ZINC000237447621 176289951 /nfs/dbraw/zinc/28/99/51/176289951.db2.gz TTZHQCRNAUPLTA-NXEZZACHSA-N 0 3 229.324 -0.439 20 0 BBADHN C[C@H](CCN1CCOCC1)NC(=O)C(C)(C)N ZINC000237447715 388394590 /nfs/dbraw/zinc/39/45/90/388394590.db2.gz RAPWZICEHPLKHR-SNVBAGLBSA-N 0 3 243.351 -0.049 20 0 BBADHN C[C@H](CCN1CCOCC1)NC(=O)C1(N)CC1 ZINC000237447815 398112225 /nfs/dbraw/zinc/11/22/25/398112225.db2.gz PHNCGTTZNPHMKC-SNVBAGLBSA-N 0 3 241.335 -0.295 20 0 BBADHN C[C@@H](N)C(=O)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000237450337 384205118 /nfs/dbraw/zinc/20/51/18/384205118.db2.gz DDJADUMEGYPWGS-MNOVXSKESA-N 0 3 241.335 -0.486 20 0 BBADHN C[C@@H](N)C(=O)N1CCN(C[C@H]2CCOC2)CC1 ZINC000237450378 384204695 /nfs/dbraw/zinc/20/46/95/384204695.db2.gz DDJADUMEGYPWGS-GHMZBOCLSA-N 0 3 241.335 -0.486 20 0 BBADHN C[C@@H]1CN(C(=O)[C@@H]2CCNC(=O)C2)[C@@H](C)CN1 ZINC000237450868 398112193 /nfs/dbraw/zinc/11/21/93/398112193.db2.gz DVEDYWACGVWBLY-KXUCPTDWSA-N 0 3 239.319 -0.279 20 0 BBADHN C[C@@H]1CN(C(=O)[C@@H]2CNCCO2)[C@@H](C)CN1 ZINC000237451232 398111788 /nfs/dbraw/zinc/11/17/88/398111788.db2.gz SBHZRCLMJXJISG-UTLUCORTSA-N 0 3 227.308 -0.816 20 0 BBADHN C[C@@H]1CN(C(=O)[C@H]2CCNC(=O)C2)[C@@H](C)CN1 ZINC000237457828 136272204 /nfs/dbraw/zinc/27/22/04/136272204.db2.gz DVEDYWACGVWBLY-UTLUCORTSA-N 0 3 239.319 -0.279 20 0 BBADHN C[C@@H]1CN(C(=O)[C@H]2CNCCO2)[C@@H](C)CN1 ZINC000237458062 136272194 /nfs/dbraw/zinc/27/21/94/136272194.db2.gz SBHZRCLMJXJISG-KXUCPTDWSA-N 0 3 227.308 -0.816 20 0 BBADHN C[C@@H](N)C(=O)NCCCN1C[C@@H](C)O[C@H](C)C1 ZINC000237459211 176289265 /nfs/dbraw/zinc/28/92/65/176289265.db2.gz PEVIBVIXLWSRSS-GMTAPVOTSA-N 0 3 243.351 -0.051 20 0 BBADHN C[C@@H](N)C(=O)NCCCN1C[C@H](C)O[C@@H](C)C1 ZINC000237459245 343142542 /nfs/dbraw/zinc/14/25/42/343142542.db2.gz PEVIBVIXLWSRSS-GARJFASQSA-N 0 3 243.351 -0.051 20 0 BBADHN C[C@@H](N)C(=O)NCCCN1C[C@@H](C)O[C@@H](C)C1 ZINC000237459278 177249980 /nfs/dbraw/zinc/24/99/80/177249980.db2.gz PEVIBVIXLWSRSS-OUAUKWLOSA-N 0 3 243.351 -0.051 20 0 BBADHN C[C@@H](N)C(=O)NCCNC(=O)c1ccccc1 ZINC000237460815 386380888 /nfs/dbraw/zinc/38/08/88/386380888.db2.gz OZLNUFKGLJOSPT-SECBINFHSA-N 0 3 235.287 -0.120 20 0 BBADHN C[C@@H](N)C(=O)NCCNC(=O)c1cccs1 ZINC000237460883 388394994 /nfs/dbraw/zinc/39/49/94/388394994.db2.gz ZAYJVZIFDVWUQC-SSDOTTSWSA-N 0 3 241.316 -0.059 20 0 BBADHN C[C@@H](N)C(=O)N[C@@H](C)CCN1CCOCC1 ZINC000237470953 136272332 /nfs/dbraw/zinc/27/23/32/136272332.db2.gz SAGDVWGJUHVXDP-VHSXEESVSA-N 0 3 229.324 -0.439 20 0 BBADHN C[C@@H](N)C(=O)N[C@H](C)CCN1CCOCC1 ZINC000237474285 136272230 /nfs/dbraw/zinc/27/22/30/136272230.db2.gz SAGDVWGJUHVXDP-NXEZZACHSA-N 0 3 229.324 -0.439 20 0 BBADHN C[C@@H]1[C@@H](C)S(=O)(=O)CCN1C(=O)C(C)(C)N ZINC000237478445 384227766 /nfs/dbraw/zinc/22/77/66/384227766.db2.gz CGUWQAWVCNODBS-HTQZYQBOSA-N 0 3 248.348 -0.242 20 0 BBADHN C[C@@H]1[C@H](C)S(=O)(=O)CCN1C(=O)C(C)(C)N ZINC000237479979 384230924 /nfs/dbraw/zinc/23/09/24/384230924.db2.gz CGUWQAWVCNODBS-SFYZADRCSA-N 0 3 248.348 -0.242 20 0 BBADHN C[C@@H](NC(=O)C(C)(C)N)[C@@H](C)N1CCOCC1 ZINC000237480962 384238579 /nfs/dbraw/zinc/23/85/79/384238579.db2.gz RMCYNMDJSIZHSN-NXEZZACHSA-N 0 3 243.351 -0.051 20 0 BBADHN C[C@@H](NC(=O)C(C)(C)N)[C@H](C)N1CCOCC1 ZINC000237481044 176011411 /nfs/dbraw/zinc/01/14/11/176011411.db2.gz RMCYNMDJSIZHSN-ZJUUUORDSA-N 0 3 243.351 -0.051 20 0 BBADHN C[C@@H]1CCCN(C(=O)C(=O)NC2CC2)[C@@H]1CN ZINC000237482312 388396258 /nfs/dbraw/zinc/39/62/58/388396258.db2.gz LWUZRTHZDOPHBZ-PSASIEDQSA-N 0 3 239.319 -0.149 20 0 BBADHN C[C@@H]1CCCN(C(=O)C(=O)NC2CC2)[C@H]1CN ZINC000237482335 388395641 /nfs/dbraw/zinc/39/56/41/388395641.db2.gz LWUZRTHZDOPHBZ-SCZZXKLOSA-N 0 3 239.319 -0.149 20 0 BBADHN C[C@@H](CS(C)(=O)=O)N(C)C(=O)CNC1CC1 ZINC000237484692 343144737 /nfs/dbraw/zinc/14/47/37/343144737.db2.gz LUTMQGJCNFNWCS-QMMMGPOBSA-N 0 3 248.348 -0.370 20 0 BBADHN C[C@@H](NC(=O)C1(N)CC1)[C@@H](C)N1CCOCC1 ZINC000237488413 384239330 /nfs/dbraw/zinc/23/93/30/384239330.db2.gz ZIXUHINVHKMVQH-NXEZZACHSA-N 0 3 241.335 -0.297 20 0 BBADHN C[C@@H](NC(=O)C1(N)CC1)[C@H](C)N1CCOCC1 ZINC000237488528 176011644 /nfs/dbraw/zinc/01/16/44/176011644.db2.gz ZIXUHINVHKMVQH-ZJUUUORDSA-N 0 3 241.335 -0.297 20 0 BBADHN C[C@@H]1CN(C(=O)c2nccnc2N)[C@@H](C)CN1 ZINC000237492319 177286676 /nfs/dbraw/zinc/28/66/76/177286676.db2.gz PFSDKZKFRXKQTM-SFYZADRCSA-N 0 3 235.291 -0.119 20 0 BBADHN C[C@@H]1CN(C(=O)c2nccnc2N)[C@H](C)CN1 ZINC000237492343 176266210 /nfs/dbraw/zinc/26/62/10/176266210.db2.gz PFSDKZKFRXKQTM-HTQZYQBOSA-N 0 3 235.291 -0.119 20 0 BBADHN C[C@@H](CNC(=O)C1(N)CC1)CN1CCOCC1 ZINC000237522691 384264301 /nfs/dbraw/zinc/26/43/01/384264301.db2.gz SCJWCIRUJHLJSZ-JTQLQIEISA-N 0 3 241.335 -0.438 20 0 BBADHN C[C@H]([C@H](C)NC(=O)C(C)(C)N)N1CCOCC1 ZINC000237541011 384281290 /nfs/dbraw/zinc/28/12/90/384281290.db2.gz RMCYNMDJSIZHSN-VHSXEESVSA-N 0 3 243.351 -0.051 20 0 BBADHN C[C@H](NC(=O)C(C)(C)N)[C@H](C)N1CCOCC1 ZINC000237541088 384280282 /nfs/dbraw/zinc/28/02/82/384280282.db2.gz RMCYNMDJSIZHSN-UWVGGRQHSA-N 0 3 243.351 -0.051 20 0 BBADHN C[C@H]([C@H](C)NC(=O)C1(N)CC1)N1CCOCC1 ZINC000237547473 176787641 /nfs/dbraw/zinc/78/76/41/176787641.db2.gz ZIXUHINVHKMVQH-VHSXEESVSA-N 0 3 241.335 -0.297 20 0 BBADHN C[C@H](NC(=O)C1(N)CC1)[C@H](C)N1CCOCC1 ZINC000237547572 384281186 /nfs/dbraw/zinc/28/11/86/384281186.db2.gz ZIXUHINVHKMVQH-UWVGGRQHSA-N 0 3 241.335 -0.297 20 0 BBADHN C[C@@H](CCN1CCOCC1)NC(=O)C(C)(C)N ZINC000237552885 388397033 /nfs/dbraw/zinc/39/70/33/388397033.db2.gz RAPWZICEHPLKHR-JTQLQIEISA-N 0 3 243.351 -0.049 20 0 BBADHN C[C@@H](CCN1CCOCC1)NC(=O)C1(N)CC1 ZINC000237552953 387926611 /nfs/dbraw/zinc/92/66/11/387926611.db2.gz PHNCGTTZNPHMKC-JTQLQIEISA-N 0 3 241.335 -0.295 20 0 BBADHN C[C@@H](N)C(=O)NC[C@H](C)Cn1cccn1 ZINC000237560965 388397388 /nfs/dbraw/zinc/39/73/88/388397388.db2.gz QVDZQJMUKZIHPV-DTWKUNHWSA-N 0 3 210.281 -0.017 20 0 BBADHN C[C@](CN)(NC(=O)C(=O)NC1CC1)C1CC1 ZINC000237582064 388397115 /nfs/dbraw/zinc/39/71/15/388397115.db2.gz FSFNLPDQKIKMLV-LLVKDONJSA-N 0 3 225.292 -0.491 20 0 BBADHN C[C@@H](NC(=O)CN)[C@@H](C)N1CCOCC1 ZINC000237589147 384301476 /nfs/dbraw/zinc/30/14/76/384301476.db2.gz IRYIWRHYJKNBKZ-RKDXNWHRSA-N 0 3 215.297 -0.830 20 0 BBADHN C[C@@H](NC(=O)CN)[C@H](C)N1CCOCC1 ZINC000237589263 176011248 /nfs/dbraw/zinc/01/12/48/176011248.db2.gz IRYIWRHYJKNBKZ-BDAKNGLRSA-N 0 3 215.297 -0.830 20 0 BBADHN C[C@H]1CN(C(=O)CN2CCOCC2)[C@@H](C)CN1 ZINC000237595879 134846470 /nfs/dbraw/zinc/84/64/70/134846470.db2.gz FMBNHRPCIXQPLV-QWRGUYRKSA-N 0 3 241.335 -0.473 20 0 BBADHN C[C@@H]1CN[C@@H](C)CN1C(=O)CN1CCOCC1 ZINC000237595910 134846484 /nfs/dbraw/zinc/84/64/84/134846484.db2.gz FMBNHRPCIXQPLV-WDEREUQCSA-N 0 3 241.335 -0.473 20 0 BBADHN C[C@H]1CN(C(=O)CNC2CC2)[C@@H](C)CN1 ZINC000237598421 343152516 /nfs/dbraw/zinc/15/25/16/343152516.db2.gz MLTDJNPGQNNZNL-IUCAKERBSA-N 0 3 211.309 -0.053 20 0 BBADHN C[C@@H]1CN[C@@H](C)CN1C(=O)CNC1CC1 ZINC000237598455 343152421 /nfs/dbraw/zinc/15/24/21/343152421.db2.gz MLTDJNPGQNNZNL-DTWKUNHWSA-N 0 3 211.309 -0.053 20 0 BBADHN C[C@H]1CN(C(=O)CNC[C@@H]2CCCO2)CCN1 ZINC000237598492 323108448 /nfs/dbraw/zinc/10/84/48/323108448.db2.gz IVHJEPYULGGTRQ-QWRGUYRKSA-N 0 3 241.335 -0.425 20 0 BBADHN C[C@H]1CN(C(=O)CNC[C@H]2CCCO2)CCN1 ZINC000237598805 388397292 /nfs/dbraw/zinc/39/72/92/388397292.db2.gz IVHJEPYULGGTRQ-WDEREUQCSA-N 0 3 241.335 -0.425 20 0 BBADHN C[C@H]1CN(C(=O)C[C@@H]2CSCCN2)CCN1 ZINC000237608308 177217455 /nfs/dbraw/zinc/21/74/55/177217455.db2.gz VMTSWVPHBBPDSH-VHSXEESVSA-N 0 3 243.376 -0.098 20 0 BBADHN C[C@H]1CN(C(=O)C[C@H]2CSCCN2)CCN1 ZINC000237610150 177217891 /nfs/dbraw/zinc/21/78/91/177217891.db2.gz VMTSWVPHBBPDSH-UWVGGRQHSA-N 0 3 243.376 -0.098 20 0 BBADHN C[C@H]1CN(C(=O)Cc2ccn[nH]2)CCN1 ZINC000237613852 177218672 /nfs/dbraw/zinc/21/86/72/177218672.db2.gz SCUNVQHMGGCNRP-QMMMGPOBSA-N 0 3 208.265 -0.228 20 0 BBADHN C[C@@](CN)(NC(=O)C(=O)NC1CC1)C1CC1 ZINC000237617865 388397351 /nfs/dbraw/zinc/39/73/51/388397351.db2.gz FSFNLPDQKIKMLV-NSHDSACASA-N 0 3 225.292 -0.491 20 0 BBADHN CC(=O)N(C)CC(=O)N1C[C@H](C)NC[C@@H]1C ZINC000237619881 398112729 /nfs/dbraw/zinc/11/27/29/398112729.db2.gz KNEKQNJMXOUTMF-IUCAKERBSA-N 0 3 227.308 -0.327 20 0 BBADHN CC(=O)N(C)CC(=O)N1C[C@H](C)NC[C@H]1C ZINC000237619914 398112794 /nfs/dbraw/zinc/11/27/94/398112794.db2.gz KNEKQNJMXOUTMF-DTWKUNHWSA-N 0 3 227.308 -0.327 20 0 BBADHN C[C@H]1CN(C(=O)CSCC(N)=O)[C@@H](C)CN1 ZINC000237620308 398112844 /nfs/dbraw/zinc/11/28/44/398112844.db2.gz BFSXXLVFXZVJBZ-YUMQZZPRSA-N 0 3 245.348 -0.586 20 0 BBADHN C[C@@H]1CN[C@@H](C)CN1C(=O)CSCC(N)=O ZINC000237620340 398112858 /nfs/dbraw/zinc/11/28/58/398112858.db2.gz BFSXXLVFXZVJBZ-JGVFFNPUSA-N 0 3 245.348 -0.586 20 0 BBADHN C[C@@H]1CN(C(C)(C)CNC(=O)CN)C[C@H](C)O1 ZINC000237621887 177232864 /nfs/dbraw/zinc/23/28/64/177232864.db2.gz NXFFWQAPLRFMKW-AOOOYVTPSA-N 0 3 243.351 -0.051 20 0 BBADHN C[C@H]1CN(C(C)(C)CNC(=O)CN)C[C@H](C)O1 ZINC000237621916 177233095 /nfs/dbraw/zinc/23/30/95/177233095.db2.gz NXFFWQAPLRFMKW-UWVGGRQHSA-N 0 3 243.351 -0.051 20 0 BBADHN C[C@@H]1CN(CCCCNC(=O)CN)C[C@H](C)O1 ZINC000237622517 177247720 /nfs/dbraw/zinc/24/77/20/177247720.db2.gz NNEIPNXTONGDPY-PHIMTYICSA-N 0 3 243.351 -0.049 20 0 BBADHN C[C@H]1CN(CCCCNC(=O)CN)C[C@H](C)O1 ZINC000237622552 177247942 /nfs/dbraw/zinc/24/79/42/177247942.db2.gz NNEIPNXTONGDPY-QWRGUYRKSA-N 0 3 243.351 -0.049 20 0 BBADHN C[C@H]([C@H](C)NC(=O)CN)N1CCOCC1 ZINC000237622650 384319087 /nfs/dbraw/zinc/31/90/87/384319087.db2.gz IRYIWRHYJKNBKZ-DTWKUNHWSA-N 0 3 215.297 -0.830 20 0 BBADHN C[C@H](NC(=O)CN)[C@H](C)N1CCOCC1 ZINC000237622745 384318883 /nfs/dbraw/zinc/31/88/83/384318883.db2.gz IRYIWRHYJKNBKZ-IUCAKERBSA-N 0 3 215.297 -0.830 20 0 BBADHN C[C@H]1CN(C(=O)[C@@H]2CNCCO2)[C@@H](C)CN1 ZINC000237622795 259684572 /nfs/dbraw/zinc/68/45/72/259684572.db2.gz SBHZRCLMJXJISG-GUBZILKMSA-N 0 3 227.308 -0.816 20 0 BBADHN C[C@@H]1CN(CCCNC(=O)CN)C[C@H](C)O1 ZINC000237623141 177249321 /nfs/dbraw/zinc/24/93/21/177249321.db2.gz TTZHQCRNAUPLTA-AOOOYVTPSA-N 0 3 229.324 -0.439 20 0 BBADHN C[C@H]1CN(CCCNC(=O)CN)C[C@H](C)O1 ZINC000237623172 177249536 /nfs/dbraw/zinc/24/95/36/177249536.db2.gz TTZHQCRNAUPLTA-UWVGGRQHSA-N 0 3 229.324 -0.439 20 0 BBADHN C[C@H]1CN(C(=O)[C@H]2CNCCO2)[C@@H](C)CN1 ZINC000237631300 388397944 /nfs/dbraw/zinc/39/79/44/388397944.db2.gz SBHZRCLMJXJISG-LPEHRKFASA-N 0 3 227.308 -0.816 20 0 BBADHN Cc1nsc(N2CCN(C(=O)CN)CC2)n1 ZINC000237643560 386398042 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-0.087 20 0 BBADHN CCCNS(=O)(=O)N1CCN[C@@H](C)[C@H]1C ZINC000261532517 135163401 /nfs/dbraw/zinc/16/34/01/135163401.db2.gz ALINRIFSNIVHBV-DTWKUNHWSA-N 0 3 235.353 -0.087 20 0 BBADHN CCCNS(=O)(=O)N1CCN[C@@H](C)[C@@H]1C ZINC000261532518 135163728 /nfs/dbraw/zinc/16/37/28/135163728.db2.gz ALINRIFSNIVHBV-IUCAKERBSA-N 0 3 235.353 -0.087 20 0 BBADHN CCCNS(=O)(=O)N1CCN[C@H](C)[C@H]1C ZINC000261532519 135163451 /nfs/dbraw/zinc/16/34/51/135163451.db2.gz ALINRIFSNIVHBV-RKDXNWHRSA-N 0 3 235.353 -0.087 20 0 BBADHN CNCCNS(=O)(=O)c1ccc(C)nc1 ZINC000261532537 135163663 /nfs/dbraw/zinc/16/36/63/135163663.db2.gz AMFDCLMCRYMIIT-UHFFFAOYSA-N 0 3 229.305 -0.112 20 0 BBADHN C[C@@H]1CN(C)CCN1C(=O)[C@H]1CNCCO1 ZINC000261532687 135163572 /nfs/dbraw/zinc/16/35/72/135163572.db2.gz CHEDVTUBPKQDGP-NXEZZACHSA-N 0 3 227.308 -0.863 20 0 BBADHN C[C@H]1CN(C)CCN1C(=O)[C@H]1CNCCO1 ZINC000261532688 135163695 /nfs/dbraw/zinc/16/36/95/135163695.db2.gz CHEDVTUBPKQDGP-VHSXEESVSA-N 0 3 227.308 -0.863 20 0 BBADHN Cn1cc(NC(=O)COC2CNC2)cn1 ZINC000261532929 135163962 /nfs/dbraw/zinc/16/39/62/135163962.db2.gz AQMLRPMTOUOXLT-UHFFFAOYSA-N 0 3 210.237 -0.653 20 0 BBADHN CN1CCC[C@@H]1CNC(=O)[C@H]1CNCCO1 ZINC000261533045 536374538 /nfs/dbraw/zinc/37/45/38/536374538.db2.gz GHVDRROGMWKKKB-NXEZZACHSA-N 0 3 227.308 -0.815 20 0 BBADHN CN1CCC[C@H]1CNC(=O)[C@H]1CNCCO1 ZINC000261533046 135163932 /nfs/dbraw/zinc/16/39/32/135163932.db2.gz GHVDRROGMWKKKB-VHSXEESVSA-N 0 3 227.308 -0.815 20 0 BBADHN CNC(=O)CC(=O)N1CCNC(C)(C)C1 ZINC000261533315 135165013 /nfs/dbraw/zinc/16/50/13/135165013.db2.gz KTJVEIMHHOCHBN-UHFFFAOYSA-N 0 3 213.281 -0.667 20 0 BBADHN O=C(CCOC1CNC1)N1CCSCC1 ZINC000261533474 135164893 /nfs/dbraw/zinc/16/48/93/135164893.db2.gz BBVNAPZQPOIQKB-UHFFFAOYSA-N 0 3 230.333 -0.060 20 0 BBADHN [NH3+][C@H]1C[C@H]([N-]S(=O)(=O)c2c[nH]cn2)C1 ZINC000261533535 135165049 /nfs/dbraw/zinc/16/50/49/135165049.db2.gz KVQRMPDMEYBTBY-IZLXSQMJSA-N 0 3 216.266 -0.822 20 0 BBADHN C[C@@H](C(=O)N1CCS(=O)(=O)C[C@H]1C)[C@H](C)N ZINC000261534106 135165890 /nfs/dbraw/zinc/16/58/90/135165890.db2.gz NCJHZTABLVJJBN-HLTSFMKQSA-N 0 3 248.348 -0.385 20 0 BBADHN CC(=O)NCC(=O)N1CCNC(C)(C)C1 ZINC000261534107 534316709 /nfs/dbraw/zinc/31/67/09/534316709.db2.gz LTDCJYWOEAOKPN-UHFFFAOYSA-N 0 3 213.281 -0.667 20 0 BBADHN C[C@H](N)[C@H](C)C(=O)N1CCS(=O)(=O)C[C@H]1C ZINC000261534108 135165865 /nfs/dbraw/zinc/16/58/65/135165865.db2.gz NCJHZTABLVJJBN-VGMNWLOBSA-N 0 3 248.348 -0.385 20 0 BBADHN CCc1nnc(NC(=O)[C@H]2C[C@H](O)CN2)s1 ZINC000261534291 172059655 /nfs/dbraw/zinc/05/96/55/172059655.db2.gz PNSVERLQQONUEY-NTSWFWBYSA-N 0 3 242.304 -0.238 20 0 BBADHN CCc1nnc(NC(=O)[C@H]2C[C@@H](O)CN2)s1 ZINC000261534292 172058797 /nfs/dbraw/zinc/05/87/97/172058797.db2.gz PNSVERLQQONUEY-PHDIDXHHSA-N 0 3 242.304 -0.238 20 0 BBADHN CO[C@H](CN)C(=O)N1C[C@H](C)OC[C@H]1C ZINC000261534438 536557725 /nfs/dbraw/zinc/55/77/25/536557725.db2.gz MKZSCDJOIMNSQD-HRDYMLBCSA-N 0 3 216.281 -0.404 20 0 BBADHN CO[C@H](CN)C(=O)N1C[C@@H](C)OC[C@H]1C ZINC000261534439 536558919 /nfs/dbraw/zinc/55/89/19/536558919.db2.gz MKZSCDJOIMNSQD-IWSPIJDZSA-N 0 3 216.281 -0.404 20 0 BBADHN CNCCNS(=O)(=O)N(C)CC1CC1 ZINC000261534671 135168046 /nfs/dbraw/zinc/16/80/46/135168046.db2.gz MWVDWWGTERWORC-UHFFFAOYSA-N 0 3 221.326 -0.618 20 0 BBADHN CN(C)c1ccc(CNC(=O)CN)cn1 ZINC000261535549 135169975 /nfs/dbraw/zinc/16/99/75/135169975.db2.gz ONTUMAYTXCXYDF-UHFFFAOYSA-N 0 3 208.265 -0.278 20 0 BBADHN CN1CCC[C@H]1CNC(=O)[C@H]1CSCN1 ZINC000261535788 135170808 /nfs/dbraw/zinc/17/08/08/135170808.db2.gz PFDJOBDIQSVAJQ-DTWKUNHWSA-N 0 3 229.349 -0.141 20 0 BBADHN CN1CCC[C@@H]1CNC(=O)[C@H]1CSCN1 ZINC000261535789 536373807 /nfs/dbraw/zinc/37/38/07/536373807.db2.gz PFDJOBDIQSVAJQ-RKDXNWHRSA-N 0 3 229.349 -0.141 20 0 BBADHN NCC(=O)NCCNC(=O)c1cccs1 ZINC000261536175 135171168 /nfs/dbraw/zinc/17/11/68/135171168.db2.gz QQIYDOMDUMCIMP-UHFFFAOYSA-N 0 3 227.289 -0.447 20 0 BBADHN CC(C)[C@H](N)C(=O)NCC(F)(F)CN ZINC000261536541 135171897 /nfs/dbraw/zinc/17/18/97/135171897.db2.gz SBYLSLRTTVNPFP-LURJTMIESA-N 0 3 209.240 -0.320 20 0 BBADHN COCCNC(=O)CCOC1CNC1 ZINC000261536643 536887081 /nfs/dbraw/zinc/88/70/81/536887081.db2.gz SIMHCWQBRWEJLV-UHFFFAOYSA-N 0 3 202.254 -0.873 20 0 BBADHN CNCC(=O)N[C@@H](C(=O)OC)C1CC1 ZINC000261536859 135173071 /nfs/dbraw/zinc/17/30/71/135173071.db2.gz TZTBZDFRZMJDQS-MRVPVSSYSA-N 0 3 200.238 -0.726 20 0 BBADHN CNCC(=O)N[C@H](C(=O)OC)C1CC1 ZINC000261536860 135173291 /nfs/dbraw/zinc/17/32/91/135173291.db2.gz TZTBZDFRZMJDQS-QMMMGPOBSA-N 0 3 200.238 -0.726 20 0 BBADHN CNCC(=O)N1CCO[C@@H](COC)C1 ZINC000261537156 135173880 /nfs/dbraw/zinc/17/38/80/135173880.db2.gz VAAOBIRQTBAPKE-MRVPVSSYSA-N 0 3 202.254 -0.920 20 0 BBADHN CNCC(=O)N1CCO[C@H](COC)C1 ZINC000261537157 135174174 /nfs/dbraw/zinc/17/41/74/135174174.db2.gz VAAOBIRQTBAPKE-QMMMGPOBSA-N 0 3 202.254 -0.920 20 0 BBADHN CO[C@H](C)CS(=O)(=O)N(C)C1CNC1 ZINC000261537186 135174065 /nfs/dbraw/zinc/17/40/65/135174065.db2.gz VDBLDCCYUGXNJP-SSDOTTSWSA-N 0 3 222.310 -0.745 20 0 BBADHN CO[C@@H](C)CS(=O)(=O)N(C)C1CNC1 ZINC000261537187 536879031 /nfs/dbraw/zinc/87/90/31/536879031.db2.gz VDBLDCCYUGXNJP-ZETCQYMHSA-N 0 3 222.310 -0.745 20 0 BBADHN COC(=O)CC1(NC(=O)CN)CCC1 ZINC000261537436 135173760 /nfs/dbraw/zinc/17/37/60/135173760.db2.gz VODRIPHKPXHDPC-UHFFFAOYSA-N 0 3 200.238 -0.453 20 0 BBADHN C[C@H](CO[C@@H]1CCOC1)NC(=O)CN ZINC000261537923 135175023 /nfs/dbraw/zinc/17/50/23/135175023.db2.gz WRSMWSFOXGCNLP-HTQZYQBOSA-N 0 3 202.254 -0.745 20 0 BBADHN C[C@@H](CO[C@@H]1CCOC1)NC(=O)CN ZINC000261537924 135174935 /nfs/dbraw/zinc/17/49/35/135174935.db2.gz WRSMWSFOXGCNLP-JGVFFNPUSA-N 0 3 202.254 -0.745 20 0 BBADHN C[C@H](CO[C@H]1CCOC1)NC(=O)CN ZINC000261537925 135174844 /nfs/dbraw/zinc/17/48/44/135174844.db2.gz WRSMWSFOXGCNLP-SFYZADRCSA-N 0 3 202.254 -0.745 20 0 BBADHN C[C@@H](CO[C@H]1CCOC1)NC(=O)CN ZINC000261537926 135175059 /nfs/dbraw/zinc/17/50/59/135175059.db2.gz WRSMWSFOXGCNLP-YUMQZZPRSA-N 0 3 202.254 -0.745 20 0 BBADHN Cc1nccn1CCNC(=O)C1(N)CC1 ZINC000261538081 135175265 /nfs/dbraw/zinc/17/52/65/135175265.db2.gz XJWWNFQZEJGBFQ-UHFFFAOYSA-N 0 3 208.265 -0.201 20 0 BBADHN NCCN1CCS(=O)(=O)[C@@H]2CCCC[C@H]21 ZINC000261538630 135176620 /nfs/dbraw/zinc/17/66/20/135176620.db2.gz YTNSERVVVNLBKU-NXEZZACHSA-N 0 3 232.349 -0.013 20 0 BBADHN NCCN1CCS(=O)(=O)[C@H]2CCCC[C@@H]21 ZINC000261538631 135176722 /nfs/dbraw/zinc/17/67/22/135176722.db2.gz YTNSERVVVNLBKU-UWVGGRQHSA-N 0 3 232.349 -0.013 20 0 BBADHN NCCN1CCS(=O)(=O)[C@@H]2CCCC[C@@H]21 ZINC000261538632 135176407 /nfs/dbraw/zinc/17/64/07/135176407.db2.gz YTNSERVVVNLBKU-VHSXEESVSA-N 0 3 232.349 -0.013 20 0 BBADHN NCCN1CCS(=O)(=O)[C@H]2CCCC[C@H]21 ZINC000261538633 135176499 /nfs/dbraw/zinc/17/64/99/135176499.db2.gz YTNSERVVVNLBKU-ZJUUUORDSA-N 0 3 232.349 -0.013 20 0 BBADHN CCn1cncc1S(=O)(=O)NCCNC ZINC000261539064 135177384 /nfs/dbraw/zinc/17/73/84/135177384.db2.gz BLQKWPWBVSTMGO-UHFFFAOYSA-N 0 3 232.309 -0.599 20 0 BBADHN COCCN1CC[C@H](NC(=O)[C@@H](C)N)C1 ZINC000261539292 536876620 /nfs/dbraw/zinc/87/66/20/536876620.db2.gz CBAMHVSNHXUMKT-BDAKNGLRSA-N 0 3 215.297 -0.830 20 0 BBADHN COCCN1CC[C@@H](NC(=O)[C@H](C)N)C1 ZINC000261539293 135178187 /nfs/dbraw/zinc/17/81/87/135178187.db2.gz CBAMHVSNHXUMKT-DTWKUNHWSA-N 0 3 215.297 -0.830 20 0 BBADHN COCCN1CC[C@H](NC(=O)[C@H](C)N)C1 ZINC000261539294 536876661 /nfs/dbraw/zinc/87/66/61/536876661.db2.gz CBAMHVSNHXUMKT-IUCAKERBSA-N 0 3 215.297 -0.830 20 0 BBADHN COCCN1CC[C@@H](NC(=O)[C@@H](C)N)C1 ZINC000261539295 135177882 /nfs/dbraw/zinc/17/78/82/135177882.db2.gz CBAMHVSNHXUMKT-RKDXNWHRSA-N 0 3 215.297 -0.830 20 0 BBADHN CC(C)NC(=O)CN(C)C(=O)[C@H]1CCN1 ZINC000261539379 135178096 /nfs/dbraw/zinc/17/80/96/135178096.db2.gz CGNATFIWDBPAFQ-MRVPVSSYSA-N 0 3 213.281 -0.669 20 0 BBADHN CNCCN(C)S(=O)(=O)C[C@@H]1CCOC1 ZINC000261539434 135178115 /nfs/dbraw/zinc/17/81/15/135178115.db2.gz CLIAGTMQQBQUER-SECBINFHSA-N 0 3 236.337 -0.496 20 0 BBADHN CNCCN(C)S(=O)(=O)C[C@H]1CCOC1 ZINC000261539435 135178144 /nfs/dbraw/zinc/17/81/44/135178144.db2.gz CLIAGTMQQBQUER-VIFPVBQESA-N 0 3 236.337 -0.496 20 0 BBADHN O=C(CNC(=O)[C@H]1CCN1)N1CCCC1 ZINC000261539446 135178154 /nfs/dbraw/zinc/17/81/54/135178154.db2.gz CLIJXNWCHUVQAO-MRVPVSSYSA-N 0 3 211.265 -0.913 20 0 BBADHN C[C@@H]1CN(C)CCN1C(=O)C[C@H]1COCCN1 ZINC000261539725 135178684 /nfs/dbraw/zinc/17/86/84/135178684.db2.gz BIDNBKHVLMCPJI-MNOVXSKESA-N 0 3 241.335 -0.473 20 0 BBADHN C[C@H]1CN(C)CCN1C(=O)C[C@H]1COCCN1 ZINC000261539727 135178967 /nfs/dbraw/zinc/17/89/67/135178967.db2.gz BIDNBKHVLMCPJI-QWRGUYRKSA-N 0 3 241.335 -0.473 20 0 BBADHN CNCC(=O)N[C@H](C)Cc1cc(C)n[nH]1 ZINC000261539784 135178511 /nfs/dbraw/zinc/17/85/11/135178511.db2.gz DDHQDPDDILNLCA-SSDOTTSWSA-N 0 3 210.281 -0.015 20 0 BBADHN CNCC(=O)N[C@@H](C)Cc1cc(C)n[nH]1 ZINC000261539785 135178897 /nfs/dbraw/zinc/17/88/97/135178897.db2.gz DDHQDPDDILNLCA-ZETCQYMHSA-N 0 3 210.281 -0.015 20 0 BBADHN COC(C)(C)CNC(=O)COC1CNC1 ZINC000261539932 135178329 /nfs/dbraw/zinc/17/83/29/135178329.db2.gz DJMIVLJHRAWZIK-UHFFFAOYSA-N 0 3 216.281 -0.484 20 0 BBADHN CNCC(=O)N(CCS(C)(=O)=O)C1CC1 ZINC000261540040 135178343 /nfs/dbraw/zinc/17/83/43/135178343.db2.gz DPYNBHAUKGAZTA-UHFFFAOYSA-N 0 3 234.321 -0.759 20 0 BBADHN CNCC(=O)NCCNC(=O)c1ccco1 ZINC000261540186 135179565 /nfs/dbraw/zinc/17/95/65/135179565.db2.gz DTMZXPDVLBOFPS-UHFFFAOYSA-N 0 3 225.248 -0.655 20 0 BBADHN CCN(C)S(=O)(=O)N1C[C@@H](C)NC[C@@H]1C ZINC000261540477 135179374 /nfs/dbraw/zinc/17/93/74/135179374.db2.gz DXWOJGXWLCRXKD-BDAKNGLRSA-N 0 3 235.353 -0.135 20 0 BBADHN CCN(C)S(=O)(=O)N1C[C@H](C)NC[C@H]1C ZINC000261540478 135179059 /nfs/dbraw/zinc/17/90/59/135179059.db2.gz DXWOJGXWLCRXKD-DTWKUNHWSA-N 0 3 235.353 -0.135 20 0 BBADHN CCN(C)S(=O)(=O)N1C[C@@H](C)NC[C@H]1C ZINC000261540479 135179122 /nfs/dbraw/zinc/17/91/22/135179122.db2.gz DXWOJGXWLCRXKD-RKDXNWHRSA-N 0 3 235.353 -0.135 20 0 BBADHN C[C@@H](N)C(=O)NC1(C(N)=O)CCCCC1 ZINC000261540514 135179359 /nfs/dbraw/zinc/17/93/59/135179359.db2.gz DZSWWGGTFOEIMY-SSDOTTSWSA-N 0 3 213.281 -0.362 20 0 BBADHN C[C@H](N)C(=O)NC1(C(N)=O)CCCCC1 ZINC000261540515 135179459 /nfs/dbraw/zinc/17/94/59/135179459.db2.gz DZSWWGGTFOEIMY-ZETCQYMHSA-N 0 3 213.281 -0.362 20 0 BBADHN COCCNCCNC(=O)c1cc(C)n(C)n1 ZINC000261540766 135180496 /nfs/dbraw/zinc/18/04/96/135180496.db2.gz HVRAXIIVTMTCNM-UHFFFAOYSA-N 0 3 240.307 -0.306 20 0 BBADHN Cn1ccc(NC(=O)COC2CNC2)n1 ZINC000261540776 135180149 /nfs/dbraw/zinc/18/01/49/135180149.db2.gz FEIAGMMKWCLKJY-UHFFFAOYSA-N 0 3 210.237 -0.653 20 0 BBADHN O=C(N[C@@H]1CCCCNC1=O)[C@H]1CCN1 ZINC000261540848 135180157 /nfs/dbraw/zinc/18/01/57/135180157.db2.gz FIZJVPAZAKHJNO-HTQZYQBOSA-N 0 3 211.265 -0.867 20 0 BBADHN O=C(N[C@H]1CCCCNC1=O)[C@H]1CCN1 ZINC000261540849 135180319 /nfs/dbraw/zinc/18/03/19/135180319.db2.gz FIZJVPAZAKHJNO-SFYZADRCSA-N 0 3 211.265 -0.867 20 0 BBADHN CCC(CC)(NC(=O)[C@H]1CCN1)C(N)=O ZINC000261541385 535001191 /nfs/dbraw/zinc/00/11/91/535001191.db2.gz FTBUBIPDOMQRNX-SSDOTTSWSA-N 0 3 213.281 -0.491 20 0 BBADHN CC(=O)N(C)CC(=O)N1CCNC(C)(C)C1 ZINC000261542014 135182708 /nfs/dbraw/zinc/18/27/08/135182708.db2.gz GHYFSJOLBWGLEZ-UHFFFAOYSA-N 0 3 227.308 -0.325 20 0 BBADHN Cc1nccn1CCNC(=O)[C@@H]1CNCCO1 ZINC000261542169 135182580 /nfs/dbraw/zinc/18/25/80/135182580.db2.gz BXGXHCXXLJJYCA-JTQLQIEISA-N 0 3 238.291 -0.704 20 0 BBADHN Cc1nccn1CCNC(=O)[C@H]1CNCCO1 ZINC000261542170 135182745 /nfs/dbraw/zinc/18/27/45/135182745.db2.gz BXGXHCXXLJJYCA-SNVBAGLBSA-N 0 3 238.291 -0.704 20 0 BBADHN CNCC(=O)Nc1cc(C(=O)OC)n(C)c1 ZINC000261542282 173333206 /nfs/dbraw/zinc/33/32/06/173333206.db2.gz GMSBYIKYMWBIDI-UHFFFAOYSA-N 0 3 225.248 -0.030 20 0 BBADHN COCCn1ccc(NC(=O)[C@@H](C)N)n1 ZINC000261542306 536855863 /nfs/dbraw/zinc/85/58/63/536855863.db2.gz GPCLWQGNHAVWBT-SSDOTTSWSA-N 0 3 212.253 -0.185 20 0 BBADHN COCCn1ccc(NC(=O)[C@H](C)N)n1 ZINC000261542307 136374520 /nfs/dbraw/zinc/37/45/20/136374520.db2.gz GPCLWQGNHAVWBT-ZETCQYMHSA-N 0 3 212.253 -0.185 20 0 BBADHN CNCC(=O)N1CCS(=O)(=O)[C@H](C)[C@H]1C ZINC000261542334 136374503 /nfs/dbraw/zinc/37/45/03/136374503.db2.gz GRVVDEMDBVGIAQ-HTQZYQBOSA-N 0 3 234.321 -0.760 20 0 BBADHN CNCC(=O)N1CCS(=O)(=O)[C@H](C)[C@@H]1C ZINC000261542335 136374445 /nfs/dbraw/zinc/37/44/45/136374445.db2.gz GRVVDEMDBVGIAQ-JGVFFNPUSA-N 0 3 234.321 -0.760 20 0 BBADHN CNCC(=O)N1CCS(=O)(=O)[C@@H](C)[C@H]1C ZINC000261542336 136374368 /nfs/dbraw/zinc/37/43/68/136374368.db2.gz GRVVDEMDBVGIAQ-SFYZADRCSA-N 0 3 234.321 -0.760 20 0 BBADHN CNCC(=O)N1CCS(=O)(=O)[C@@H](C)[C@@H]1C ZINC000261542337 136374412 /nfs/dbraw/zinc/37/44/12/136374412.db2.gz GRVVDEMDBVGIAQ-YUMQZZPRSA-N 0 3 234.321 -0.760 20 0 BBADHN CNCC(=O)Nc1ccn(CCOC)n1 ZINC000261542355 136374421 /nfs/dbraw/zinc/37/44/21/136374421.db2.gz GUOGDAFYQIFQNW-UHFFFAOYSA-N 0 3 212.253 -0.313 20 0 BBADHN C[C@H](CS(C)(=O)=O)N(C)C(=O)[C@H]1CCN1 ZINC000261542609 135182950 /nfs/dbraw/zinc/18/29/50/135182950.db2.gz GYIYTBVQLSNCMC-HTQZYQBOSA-N 0 3 234.321 -0.760 20 0 BBADHN C[C@@H](CS(C)(=O)=O)N(C)C(=O)[C@H]1CCN1 ZINC000261542610 135183066 /nfs/dbraw/zinc/18/30/66/135183066.db2.gz GYIYTBVQLSNCMC-JGVFFNPUSA-N 0 3 234.321 -0.760 20 0 BBADHN CO[C@H](CN)C(=O)N1C[C@@H](C(N)=O)CC[C@H]1C ZINC000261542815 536558576 /nfs/dbraw/zinc/55/85/76/536558576.db2.gz QGRRONKFCMIEAG-HRDYMLBCSA-N 0 3 243.307 -0.928 20 0 BBADHN CO[C@H](CN)C(=O)N1C[C@H](C(N)=O)CC[C@H]1C ZINC000261542816 536559186 /nfs/dbraw/zinc/55/91/86/536559186.db2.gz QGRRONKFCMIEAG-IWSPIJDZSA-N 0 3 243.307 -0.928 20 0 BBADHN CC(C)CN(CC(N)=O)C(=O)[C@H]1CCN1 ZINC000261542920 535044520 /nfs/dbraw/zinc/04/45/20/535044520.db2.gz HGBQEFAJIHIQGQ-MRVPVSSYSA-N 0 3 213.281 -0.682 20 0 BBADHN C[C@H](N)C(=O)N[C@@H]1CCCC[C@@H]1C(N)=O ZINC000261542971 135183763 /nfs/dbraw/zinc/18/37/63/135183763.db2.gz HJQWMCAEYWHBJW-BIIVOSGPSA-N 0 3 213.281 -0.506 20 0 BBADHN C[C@H](N)C(=O)N[C@H]1CCCC[C@@H]1C(N)=O ZINC000261542972 135183864 /nfs/dbraw/zinc/18/38/64/135183864.db2.gz HJQWMCAEYWHBJW-FXQIFTODSA-N 0 3 213.281 -0.506 20 0 BBADHN C[C@H](N)C(=O)N[C@H]1CCCC[C@H]1C(N)=O ZINC000261542973 135183999 /nfs/dbraw/zinc/18/39/99/135183999.db2.gz HJQWMCAEYWHBJW-RNJXMRFFSA-N 0 3 213.281 -0.506 20 0 BBADHN C[C@H](N)C(=O)N[C@@H]1CCCC[C@H]1C(N)=O ZINC000261542974 135183799 /nfs/dbraw/zinc/18/37/99/135183799.db2.gz HJQWMCAEYWHBJW-XLPZGREQSA-N 0 3 213.281 -0.506 20 0 BBADHN CNCC(=O)N[C@@H]1CCC[C@@H](C(N)=O)C1 ZINC000261543141 135183711 /nfs/dbraw/zinc/18/37/11/135183711.db2.gz HNFWAJNPARHVQS-HTQZYQBOSA-N 0 3 213.281 -0.634 20 0 BBADHN CNCC(=O)N[C@@H]1CCC[C@H](C(N)=O)C1 ZINC000261543143 135184128 /nfs/dbraw/zinc/18/41/28/135184128.db2.gz HNFWAJNPARHVQS-JGVFFNPUSA-N 0 3 213.281 -0.634 20 0 BBADHN CNCC(=O)N[C@H]1CCC[C@@H](C(N)=O)C1 ZINC000261543144 135183661 /nfs/dbraw/zinc/18/36/61/135183661.db2.gz HNFWAJNPARHVQS-SFYZADRCSA-N 0 3 213.281 -0.634 20 0 BBADHN CNCC(=O)N[C@H]1CCC[C@H](C(N)=O)C1 ZINC000261543146 135183708 /nfs/dbraw/zinc/18/37/08/135183708.db2.gz HNFWAJNPARHVQS-YUMQZZPRSA-N 0 3 213.281 -0.634 20 0 BBADHN COC[C@@H](C)N(C)C(=O)COC1CNC1 ZINC000261543191 536515272 /nfs/dbraw/zinc/51/52/72/536515272.db2.gz HPMWSKDPGLUVSN-MRVPVSSYSA-N 0 3 216.281 -0.532 20 0 BBADHN COC[C@H](C)N(C)C(=O)COC1CNC1 ZINC000261543193 135184201 /nfs/dbraw/zinc/18/42/01/135184201.db2.gz HPMWSKDPGLUVSN-QMMMGPOBSA-N 0 3 216.281 -0.532 20 0 BBADHN CN1CCC[C@H]1CNC(=O)C[C@H]1COCCN1 ZINC000261543481 536391663 /nfs/dbraw/zinc/39/16/63/536391663.db2.gz SXIXARQOZNLNOK-QWRGUYRKSA-N 0 3 241.335 -0.425 20 0 BBADHN CN1CCC[C@@H]1CNC(=O)C[C@H]1COCCN1 ZINC000261543483 135184013 /nfs/dbraw/zinc/18/40/13/135184013.db2.gz SXIXARQOZNLNOK-WDEREUQCSA-N 0 3 241.335 -0.425 20 0 BBADHN CNCC(=O)NCCN1CCOC[C@H]1C ZINC000261543744 135184632 /nfs/dbraw/zinc/18/46/32/135184632.db2.gz ICPDQIMNXTYHOO-SECBINFHSA-N 0 3 215.297 -0.957 20 0 BBADHN CNCC(=O)NCCN1CCOC[C@@H]1C ZINC000261543745 135184827 /nfs/dbraw/zinc/18/48/27/135184827.db2.gz ICPDQIMNXTYHOO-VIFPVBQESA-N 0 3 215.297 -0.957 20 0 BBADHN CNCC(=O)NCCNc1cnccn1 ZINC000261543760 135184584 /nfs/dbraw/zinc/18/45/84/135184584.db2.gz IDMKRBOTOMOOKS-UHFFFAOYSA-N 0 3 209.253 -0.776 20 0 BBADHN CCS(=O)(=O)C[C@@H](C)NC(=O)[C@H]1CCN1 ZINC000261543990 135185507 /nfs/dbraw/zinc/18/55/07/135185507.db2.gz IKJZNJHUHOGYOF-HTQZYQBOSA-N 0 3 234.321 -0.712 20 0 BBADHN CCS(=O)(=O)C[C@H](C)NC(=O)[C@H]1CCN1 ZINC000261543992 135185350 /nfs/dbraw/zinc/18/53/50/135185350.db2.gz IKJZNJHUHOGYOF-JGVFFNPUSA-N 0 3 234.321 -0.712 20 0 BBADHN CO[C@@H](CN)C(=O)N1CCN2CCCC[C@H]2C1 ZINC000261544154 135185282 /nfs/dbraw/zinc/18/52/82/135185282.db2.gz XHCIQRQSAASKDW-QWRGUYRKSA-N 0 3 241.335 -0.343 20 0 BBADHN CO[C@H](CN)C(=O)N1CCN2CCCC[C@H]2C1 ZINC000261544155 536557057 /nfs/dbraw/zinc/55/70/57/536557057.db2.gz XHCIQRQSAASKDW-WDEREUQCSA-N 0 3 241.335 -0.343 20 0 BBADHN C[C@@H]1CN(C)CCN1C(=O)C[C@H]1CNCCO1 ZINC000261544182 135185277 /nfs/dbraw/zinc/18/52/77/135185277.db2.gz XNGOWGKMQVKVLE-MNOVXSKESA-N 0 3 241.335 -0.473 20 0 BBADHN C[C@H]1CN(C)CCN1C(=O)C[C@H]1CNCCO1 ZINC000261544183 135185071 /nfs/dbraw/zinc/18/50/71/135185071.db2.gz XNGOWGKMQVKVLE-QWRGUYRKSA-N 0 3 241.335 -0.473 20 0 BBADHN CN(CC1CC1)S(=O)(=O)N(C)C1CNC1 ZINC000261545023 135186846 /nfs/dbraw/zinc/18/68/46/135186846.db2.gz JKKNIBFAIPJRNK-UHFFFAOYSA-N 0 3 233.337 -0.523 20 0 BBADHN CN(CC(=O)NC1CC1)C(=O)[C@H]1CCN1 ZINC000261545024 135186600 /nfs/dbraw/zinc/18/66/00/135186600.db2.gz JKOHTXUKDMLXHU-MRVPVSSYSA-N 0 3 211.265 -0.915 20 0 BBADHN CNCC(=O)NCC1(C(N)=O)CCCC1 ZINC000261545056 135186975 /nfs/dbraw/zinc/18/69/75/135186975.db2.gz JNGVARZNDNJGNB-UHFFFAOYSA-N 0 3 213.281 -0.632 20 0 BBADHN CC(C)N1C[C@H](NC(=O)[C@@H](C)N)CC1=O ZINC000261545483 135148407 /nfs/dbraw/zinc/14/84/07/135148407.db2.gz KDIKKNPVDPLCPL-HTQZYQBOSA-N 0 3 213.281 -0.541 20 0 BBADHN CC(C)N1C[C@H](NC(=O)[C@H](C)N)CC1=O ZINC000261545484 135148565 /nfs/dbraw/zinc/14/85/65/135148565.db2.gz KDIKKNPVDPLCPL-JGVFFNPUSA-N 0 3 213.281 -0.541 20 0 BBADHN CC(C)N1C[C@@H](NC(=O)[C@@H](C)N)CC1=O ZINC000261545485 135148300 /nfs/dbraw/zinc/14/83/00/135148300.db2.gz KDIKKNPVDPLCPL-SFYZADRCSA-N 0 3 213.281 -0.541 20 0 BBADHN CC(C)N1C[C@@H](NC(=O)[C@H](C)N)CC1=O ZINC000261545486 135148191 /nfs/dbraw/zinc/14/81/91/135148191.db2.gz KDIKKNPVDPLCPL-YUMQZZPRSA-N 0 3 213.281 -0.541 20 0 BBADHN CNCC(=O)NC1(CC(=O)OC)CCC1 ZINC000261546055 135238266 /nfs/dbraw/zinc/23/82/66/135238266.db2.gz KQIITKOHFUPSCQ-UHFFFAOYSA-N 0 3 214.265 -0.192 20 0 BBADHN CN1C[C@H](NC(=O)[C@@]2(C)CCCCN2)CC1=O ZINC000261546291 135238675 /nfs/dbraw/zinc/23/86/75/135238675.db2.gz GVPACQGJCCBVRU-BXKDBHETSA-N 0 3 239.319 -0.135 20 0 BBADHN CN1C[C@@H](NC(=O)[C@]2(C)CCCCN2)CC1=O ZINC000261546292 135238210 /nfs/dbraw/zinc/23/82/10/135238210.db2.gz GVPACQGJCCBVRU-CABZTGNLSA-N 0 3 239.319 -0.135 20 0 BBADHN CN1C[C@@H](NC(=O)[C@@]2(C)CCCCN2)CC1=O ZINC000261546293 135238568 /nfs/dbraw/zinc/23/85/68/135238568.db2.gz GVPACQGJCCBVRU-JOYOIKCWSA-N 0 3 239.319 -0.135 20 0 BBADHN CN1C[C@H](NC(=O)[C@]2(C)CCCCN2)CC1=O ZINC000261546294 135238207 /nfs/dbraw/zinc/23/82/07/135238207.db2.gz GVPACQGJCCBVRU-SKDRFNHKSA-N 0 3 239.319 -0.135 20 0 BBADHN COC(=O)c1ccc(CNC(=O)CN)o1 ZINC000261546678 135239255 /nfs/dbraw/zinc/23/92/55/135239255.db2.gz LFIDKBVGEVTGCV-UHFFFAOYSA-N 0 3 212.205 -0.359 20 0 BBADHN Cn1nccc1NC(=O)COC1CNC1 ZINC000261546838 135239200 /nfs/dbraw/zinc/23/92/00/135239200.db2.gz LIQBMXAAYDEQJG-UHFFFAOYSA-N 0 3 210.237 -0.653 20 0 BBADHN O=C(CCOC1CNC1)Nc1cn[nH]c1 ZINC000261546848 135239090 /nfs/dbraw/zinc/23/90/90/135239090.db2.gz LIYKITBHVHSWKK-UHFFFAOYSA-N 0 3 210.237 -0.273 20 0 BBADHN O=C(COC1CNC1)NC[C@H]1CCCS1 ZINC000261546860 135239716 /nfs/dbraw/zinc/23/97/16/135239716.db2.gz LKCSXTUJRYYCGI-SECBINFHSA-N 0 3 230.333 -0.013 20 0 BBADHN O=C(COC1CNC1)NC[C@@H]1CCCS1 ZINC000261546861 135239137 /nfs/dbraw/zinc/23/91/37/135239137.db2.gz LKCSXTUJRYYCGI-VIFPVBQESA-N 0 3 230.333 -0.013 20 0 BBADHN O=C(CCOC1CNC1)N1CCOCC1 ZINC000261547128 135240177 /nfs/dbraw/zinc/24/01/77/135240177.db2.gz LWOVQESXXDOUET-UHFFFAOYSA-N 0 3 214.265 -0.776 20 0 BBADHN CCCN(CC(=O)NC)C(=O)[C@H]1CCN1 ZINC000261547136 135240369 /nfs/dbraw/zinc/24/03/69/135240369.db2.gz LXDPPUDRCSMQBJ-MRVPVSSYSA-N 0 3 213.281 -0.667 20 0 BBADHN COCC(C)(C)NC(=O)COC1CNC1 ZINC000261547138 536787937 /nfs/dbraw/zinc/78/79/37/536787937.db2.gz LXHMJVGHGUUQAC-UHFFFAOYSA-N 0 3 216.281 -0.484 20 0 BBADHN CCNC(=O)CC(=O)N1CCNC(C)(C)C1 ZINC000261547508 135240099 /nfs/dbraw/zinc/24/00/99/135240099.db2.gz MIQBJXYAUIVZNR-UHFFFAOYSA-N 0 3 227.308 -0.277 20 0 BBADHN O=S(=O)([N-][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccco1 ZINC000261547549 135239899 /nfs/dbraw/zinc/23/98/99/135239899.db2.gz MKPUTQBPQTXPJF-QMSLJYSESA-N 0 3 228.273 -0.224 20 0 BBADHN O=C(COC1CNC1)N1CCCOCC1 ZINC000261547709 135240941 /nfs/dbraw/zinc/24/09/41/135240941.db2.gz MPYVTPPPIUGWPW-UHFFFAOYSA-N 0 3 214.265 -0.776 20 0 BBADHN CNCC(=O)N1CCC[C@H](CC(N)=O)C1 ZINC000261547912 135241266 /nfs/dbraw/zinc/24/12/66/135241266.db2.gz MUAXEHYQQRARQG-MRVPVSSYSA-N 0 3 213.281 -0.680 20 0 BBADHN CNCC(=O)N1CCC[C@@H](CC(N)=O)C1 ZINC000261547913 135241262 /nfs/dbraw/zinc/24/12/62/135241262.db2.gz MUAXEHYQQRARQG-QMMMGPOBSA-N 0 3 213.281 -0.680 20 0 BBADHN CC[C@H](N)C(=O)N1CCS(=O)(=O)[C@H](C)C1 ZINC000261548128 135242040 /nfs/dbraw/zinc/24/20/40/135242040.db2.gz NCBLKJGWVQFLQZ-SFYZADRCSA-N 0 3 234.321 -0.631 20 0 BBADHN CC[C@H](N)C(=O)N1CCS(=O)(=O)[C@@H](C)C1 ZINC000261548129 135241685 /nfs/dbraw/zinc/24/16/85/135241685.db2.gz NCBLKJGWVQFLQZ-YUMQZZPRSA-N 0 3 234.321 -0.631 20 0 BBADHN C[C@@H](N)C(=O)NCC1(C(N)=O)CCCC1 ZINC000261548133 135241811 /nfs/dbraw/zinc/24/18/11/135241811.db2.gz NCWMDXGNZWJHTP-SSDOTTSWSA-N 0 3 213.281 -0.505 20 0 BBADHN C[C@H](N)C(=O)NCC1(C(N)=O)CCCC1 ZINC000261548134 135241909 /nfs/dbraw/zinc/24/19/09/135241909.db2.gz NCWMDXGNZWJHTP-ZETCQYMHSA-N 0 3 213.281 -0.505 20 0 BBADHN CN(C(=O)COC1CNC1)[C@@H]1CCSC1 ZINC000261548369 135186559 /nfs/dbraw/zinc/18/65/59/135186559.db2.gz NPKNFQABPISTJU-MRVPVSSYSA-N 0 3 230.333 -0.061 20 0 BBADHN CN(C(=O)COC1CNC1)[C@H]1CCSC1 ZINC000261548370 135186871 /nfs/dbraw/zinc/18/68/71/135186871.db2.gz NPKNFQABPISTJU-QMMMGPOBSA-N 0 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CCn1nncc1C(=O)NC[C@@H](C)N(C)C ZINC000294164230 172289161 /nfs/dbraw/zinc/28/91/61/172289161.db2.gz RRFWJJDGNRFXKG-MRVPVSSYSA-N 0 3 225.296 -0.022 20 0 BBADHN CCn1nncc1C(=O)NC[C@H](C)N(C)C ZINC000294164235 172288765 /nfs/dbraw/zinc/28/87/65/172288765.db2.gz RRFWJJDGNRFXKG-QMMMGPOBSA-N 0 3 225.296 -0.022 20 0 BBADHN CN(C)C/C=C/C(=O)NC[C@H]1CC[C@@H](CO)O1 ZINC000294462689 172399465 /nfs/dbraw/zinc/39/94/65/172399465.db2.gz IBWBZVBGUNZTTD-YHROSDCASA-N 0 3 242.319 -0.240 20 0 BBADHN NCC(F)(F)CNC(=O)c1cnccc1N ZINC000294812910 181357024 /nfs/dbraw/zinc/35/70/24/181357024.db2.gz OBKKHXXHXJRBIJ-UHFFFAOYSA-N 0 3 230.218 -0.012 20 0 BBADHN CCN(C)CCNC(=O)c1cnn(CC)n1 ZINC000294973906 385931982 /nfs/dbraw/zinc/93/19/82/385931982.db2.gz ZOZIQAFATHBNSF-UHFFFAOYSA-N 0 3 225.296 -0.021 20 0 BBADHN C[C@H]1CN(C(=O)/C=C/CN(C)C)CC(=O)N1 ZINC000297049222 177210995 /nfs/dbraw/zinc/21/09/95/177210995.db2.gz OTNMIGQTEIYBNT-MOVJSRMASA-N 0 3 225.292 -0.549 20 0 BBADHN C[C@@H]1CN(C(=O)/C=C/CN(C)C)CC(=O)N1 ZINC000297049224 176240833 /nfs/dbraw/zinc/24/08/33/176240833.db2.gz OTNMIGQTEIYBNT-XNPJLODASA-N 0 3 225.292 -0.549 20 0 BBADHN Cc1nccn1CC(=O)N1CC(N(C)C)C1 ZINC000297542416 180231366 /nfs/dbraw/zinc/23/13/66/180231366.db2.gz MRNQXOAVSHGJMP-UHFFFAOYSA-N 0 3 222.292 -0.036 20 0 BBADHN CC[C@H](NC(=O)/C=C/CN(C)C)C(N)=O ZINC000298202387 386308704 /nfs/dbraw/zinc/30/87/04/386308704.db2.gz CMDDYBCZNYQDND-GJIOHYHPSA-N 0 3 213.281 -0.516 20 0 BBADHN CC[C@@H](NC(=O)/C=C/CN(C)C)C(N)=O ZINC000298202389 386309593 /nfs/dbraw/zinc/30/95/93/386309593.db2.gz CMDDYBCZNYQDND-HQZHTGGTSA-N 0 3 213.281 -0.516 20 0 BBADHN CC(C)CN(CCC(=O)NC(N)=O)CC(N)=O ZINC000298263701 352497246 /nfs/dbraw/zinc/49/72/46/352497246.db2.gz BPFKPJDJRQTJJO-UHFFFAOYSA-N 0 3 244.295 -0.985 20 0 BBADHN C[C@H](CNC(=O)c1cc[n+]([O-])cc1)N(C)C ZINC000298298316 386320773 /nfs/dbraw/zinc/32/07/73/386320773.db2.gz ARARBZWPHFFAIU-SECBINFHSA-N 0 3 223.276 0.000 20 0 BBADHN C[C@@H](CNC(=O)c1cc[n+]([O-])cc1)N(C)C ZINC000298298320 386319847 /nfs/dbraw/zinc/31/98/47/386319847.db2.gz ARARBZWPHFFAIU-VIFPVBQESA-N 0 3 223.276 0.000 20 0 BBADHN C[C@H](CNC(=O)CCn1ccnn1)N(C)C ZINC000298307016 386322921 /nfs/dbraw/zinc/32/29/21/386322921.db2.gz DIFSQTRJSSKMIJ-SECBINFHSA-N 0 3 225.296 -0.266 20 0 BBADHN C[C@@H](CNC(=O)CCn1ccnn1)N(C)C ZINC000298307019 386323563 /nfs/dbraw/zinc/32/35/63/386323563.db2.gz DIFSQTRJSSKMIJ-VIFPVBQESA-N 0 3 225.296 -0.266 20 0 BBADHN C[C@H](CNC(=O)Cn1cccn1)N(C)C ZINC000298339367 386328136 /nfs/dbraw/zinc/32/81/36/386328136.db2.gz HURIZWNLVBXGDR-SECBINFHSA-N 0 3 210.281 -0.051 20 0 BBADHN C[C@@H](CNC(=O)Cn1cccn1)N(C)C ZINC000298339373 386328698 /nfs/dbraw/zinc/32/86/98/386328698.db2.gz HURIZWNLVBXGDR-VIFPVBQESA-N 0 3 210.281 -0.051 20 0 BBADHN C[C@H](CNC(=O)c1ccc[n+]([O-])c1)N(C)C ZINC000298416618 386340481 /nfs/dbraw/zinc/34/04/81/386340481.db2.gz JZNHAFNTBKZBAB-SECBINFHSA-N 0 3 223.276 0.000 20 0 BBADHN C[C@@H](CNC(=O)c1ccc[n+]([O-])c1)N(C)C ZINC000298416620 386341851 /nfs/dbraw/zinc/34/18/51/386341851.db2.gz JZNHAFNTBKZBAB-VIFPVBQESA-N 0 3 223.276 0.000 20 0 BBADHN C[C@H](CNC(=O)c1nccnc1N)N(C)C ZINC000298422717 491125833 /nfs/dbraw/zinc/12/58/33/491125833.db2.gz LCMAXBMAIUKSEP-SSDOTTSWSA-N 0 3 223.280 -0.261 20 0 BBADHN C[C@@H](CNC(=O)c1nccnc1N)N(C)C ZINC000298422722 491125765 /nfs/dbraw/zinc/12/57/65/491125765.db2.gz LCMAXBMAIUKSEP-ZETCQYMHSA-N 0 3 223.280 -0.261 20 0 BBADHN CN1CCC[C@H]1CNC(=O)CCn1ccnn1 ZINC000299322958 173053732 /nfs/dbraw/zinc/05/37/32/173053732.db2.gz XWJJXKMQJXLLDO-JTQLQIEISA-N 0 3 237.307 -0.121 20 0 BBADHN CN1CCC[C@@H]1CNC(=O)CCn1ccnn1 ZINC000299322961 173031379 /nfs/dbraw/zinc/03/13/79/173031379.db2.gz XWJJXKMQJXLLDO-SNVBAGLBSA-N 0 3 237.307 -0.121 20 0 BBADHN C[C@H](CNC(=O)C(=O)c1cnn(C)c1)N(C)C ZINC000299617207 176671031 /nfs/dbraw/zinc/67/10/31/176671031.db2.gz ZQTYSKROMZBVDE-MRVPVSSYSA-N 0 3 238.291 -0.331 20 0 BBADHN C[C@@H](CNC(=O)C(=O)c1cnn(C)c1)N(C)C ZINC000299617208 386473036 /nfs/dbraw/zinc/47/30/36/386473036.db2.gz ZQTYSKROMZBVDE-QMMMGPOBSA-N 0 3 238.291 -0.331 20 0 BBADHN COCCN(C)CCNC(=O)c1cncnc1 ZINC000299623902 174276655 /nfs/dbraw/zinc/27/66/55/174276655.db2.gz QXFWLVYNTLOJSL-UHFFFAOYSA-N 0 3 238.291 -0.215 20 0 BBADHN CC[C@H](C(N)=O)N1CC[C@@H](C)[C@H](O)C1 ZINC000299891193 347151221 /nfs/dbraw/zinc/15/12/21/347151221.db2.gz JULBLIUJAZBLDQ-IWSPIJDZSA-N 0 3 200.282 -0.047 20 0 BBADHN CC[C@H](C(N)=O)N1CC[C@H](C)[C@@H](O)C1 ZINC000299891194 347151235 /nfs/dbraw/zinc/15/12/35/347151235.db2.gz JULBLIUJAZBLDQ-YIZRAAEISA-N 0 3 200.282 -0.047 20 0 BBADHN C[C@@H]1CCN(CCOCCO)C[C@H]1O ZINC000299891237 176169682 /nfs/dbraw/zinc/16/96/82/176169682.db2.gz KNHNQYUNMIMOEU-NXEZZACHSA-N 0 3 203.282 -0.302 20 0 BBADHN C[C@H]1CCN(CCOCCO)C[C@H]1O ZINC000299891238 177160063 /nfs/dbraw/zinc/16/00/63/177160063.db2.gz KNHNQYUNMIMOEU-VHSXEESVSA-N 0 3 203.282 -0.302 20 0 BBADHN CC(C(=O)N1CC[C@@H](C)[C@H](O)C1)S(C)(=O)=O ZINC000299891307 347149463 /nfs/dbraw/zinc/14/94/63/347149463.db2.gz MVVQENAKTFSSJH-HRDYMLBCSA-N 0 3 249.332 -0.351 20 0 BBADHN CC(C(=O)N1CC[C@@H](C)[C@H](O)C1)S(C)(=O)=O ZINC000299891308 347148592 /nfs/dbraw/zinc/14/85/92/347148592.db2.gz MVVQENAKTFSSJH-IWSPIJDZSA-N 0 3 249.332 -0.351 20 0 BBADHN C[C@@H]1CCN([C@H]2CCN(C)C2=O)C[C@H]1O ZINC000299891334 176180039 /nfs/dbraw/zinc/18/00/39/176180039.db2.gz NZUOPXVIECJSTR-KXUCPTDWSA-N 0 3 212.293 -0.080 20 0 BBADHN C[C@@H]1CCN([C@@H]2CCN(C)C2=O)C[C@H]1O ZINC000299891335 176180421 /nfs/dbraw/zinc/18/04/21/176180421.db2.gz NZUOPXVIECJSTR-OPRDCNLKSA-N 0 3 212.293 -0.080 20 0 BBADHN C[C@@H]1CCN([C@H]2CCN(C)C2=O)C[C@@H]1O ZINC000299891336 176180314 /nfs/dbraw/zinc/18/03/14/176180314.db2.gz NZUOPXVIECJSTR-UTLUCORTSA-N 0 3 212.293 -0.080 20 0 BBADHN C[C@@H]1CCN(CCC(=O)NC(N)=O)C[C@H]1O ZINC000299891568 347150358 /nfs/dbraw/zinc/15/03/58/347150358.db2.gz WEEQZMSYVHEPNJ-HTQZYQBOSA-N 0 3 229.280 -0.726 20 0 BBADHN C[C@H]1CCN(CCC(=O)NC(N)=O)C[C@H]1O ZINC000299891569 347150297 /nfs/dbraw/zinc/15/02/97/347150297.db2.gz WEEQZMSYVHEPNJ-JGVFFNPUSA-N 0 3 229.280 -0.726 20 0 BBADHN CC(C(=O)N1CC[C@@H](C)[C@H]1CO)S(C)(=O)=O ZINC000299896384 349277508 /nfs/dbraw/zinc/27/75/08/349277508.db2.gz KBVXQJKDQMAMJS-HRDYMLBCSA-N 0 3 249.332 -0.351 20 0 BBADHN CC(C(=O)N1CC[C@@H](C)[C@H]1CO)S(C)(=O)=O ZINC000299896385 349277413 /nfs/dbraw/zinc/27/74/13/349277413.db2.gz KBVXQJKDQMAMJS-IWSPIJDZSA-N 0 3 249.332 -0.351 20 0 BBADHN C[C@@H]1CCN(CCN2C(=O)CCC2=O)C[C@H]1O ZINC000299901957 135381317 /nfs/dbraw/zinc/38/13/17/135381317.db2.gz FECLKULBAZKZET-NXEZZACHSA-N 0 3 240.303 -0.162 20 0 BBADHN C[C@H]1CCN(CCN2C(=O)CCC2=O)C[C@H]1O ZINC000299901958 135381236 /nfs/dbraw/zinc/38/12/36/135381236.db2.gz FECLKULBAZKZET-VHSXEESVSA-N 0 3 240.303 -0.162 20 0 BBADHN CNC(=O)NC(=O)CCN1CC[C@H](C)[C@H](O)C1 ZINC000299903578 349399133 /nfs/dbraw/zinc/39/91/33/349399133.db2.gz JVBCFGAQBVFCKA-DTWKUNHWSA-N 0 3 243.307 -0.465 20 0 BBADHN CNC(=O)NC(=O)CCN1CC[C@@H](C)[C@H](O)C1 ZINC000299903579 349399306 /nfs/dbraw/zinc/39/93/06/349399306.db2.gz JVBCFGAQBVFCKA-RKDXNWHRSA-N 0 3 243.307 -0.465 20 0 BBADHN C[C@H]1CCN(CCN2C(=O)CNC2=O)C[C@H]1O ZINC000299903613 349398927 /nfs/dbraw/zinc/39/89/27/349398927.db2.gz KBZAMZHUYVOYRV-DTWKUNHWSA-N 0 3 241.291 -0.759 20 0 BBADHN C[C@@H]1CCN(CCN2C(=O)CNC2=O)C[C@H]1O ZINC000299903614 349399397 /nfs/dbraw/zinc/39/93/97/349399397.db2.gz KBZAMZHUYVOYRV-RKDXNWHRSA-N 0 3 241.291 -0.759 20 0 BBADHN C[C@H]1CCN(CCN2CCNC2=O)[C@H]1CO ZINC000299904660 177160178 /nfs/dbraw/zinc/16/01/78/177160178.db2.gz CCCXGHXDQVXNLG-UWVGGRQHSA-N 0 3 227.308 -0.286 20 0 BBADHN C[C@@H]1CCN(CCN2CCNC2=O)[C@H]1CO ZINC000299904661 176170604 /nfs/dbraw/zinc/17/06/04/176170604.db2.gz CCCXGHXDQVXNLG-ZJUUUORDSA-N 0 3 227.308 -0.286 20 0 BBADHN COC(=O)[C@](C)(O)CN1CC[C@H](C)[C@@H](O)C1 ZINC000299907059 349806058 /nfs/dbraw/zinc/80/60/58/349806058.db2.gz HVODMXIHOQDQGD-ATZCPNFKSA-N 0 3 231.292 -0.387 20 0 BBADHN COC(=O)[C@](C)(O)CN1CC[C@@H](C)[C@H](O)C1 ZINC000299907060 349806027 /nfs/dbraw/zinc/80/60/27/349806027.db2.gz HVODMXIHOQDQGD-FXPVBKGRSA-N 0 3 231.292 -0.387 20 0 BBADHN COC(=O)[C@](C)(O)CN1CC[C@H](C)[C@H](O)C1 ZINC000299907061 349805863 /nfs/dbraw/zinc/80/58/63/349805863.db2.gz HVODMXIHOQDQGD-IQJOONFLSA-N 0 3 231.292 -0.387 20 0 BBADHN C[C@@H]1CCN(CCN2CCNC2=O)C[C@H]1O ZINC000299913569 135382195 /nfs/dbraw/zinc/38/21/95/135382195.db2.gz PIMGNRGQNFVEJL-NXEZZACHSA-N 0 3 227.308 -0.286 20 0 BBADHN C[C@H]1CCN(CCN2CCNC2=O)C[C@H]1O ZINC000299913570 135381830 /nfs/dbraw/zinc/38/18/30/135381830.db2.gz PIMGNRGQNFVEJL-VHSXEESVSA-N 0 3 227.308 -0.286 20 0 BBADHN C[C@H]1CCN(CC(=O)N2CCC2)[C@H]1CO ZINC000299915419 177157389 /nfs/dbraw/zinc/15/73/89/177157389.db2.gz URQDIYHARBYTNH-UWVGGRQHSA-N 0 3 212.293 -0.079 20 0 BBADHN C[C@@H]1CCN(CC(=O)N2CCC2)[C@H]1CO ZINC000299915420 176166937 /nfs/dbraw/zinc/16/69/37/176166937.db2.gz URQDIYHARBYTNH-ZJUUUORDSA-N 0 3 212.293 -0.079 20 0 BBADHN CC[C@H](O)CN1CCC[C@H]2C(=O)NC[C@@H]21 ZINC000299993149 535986296 /nfs/dbraw/zinc/98/62/96/535986296.db2.gz ATCYVRDYYLRVEX-AEJSXWLSSA-N 0 3 212.293 -0.032 20 0 BBADHN CC[C@H](O)CN1CCC[C@H]2C(=O)NC[C@H]21 ZINC000299993150 535984823 /nfs/dbraw/zinc/98/48/23/535984823.db2.gz ATCYVRDYYLRVEX-IVZWLZJFSA-N 0 3 212.293 -0.032 20 0 BBADHN CC[C@H](O)CN1CCC[C@@H]2C(=O)NC[C@H]21 ZINC000299993151 535985640 /nfs/dbraw/zinc/98/56/40/535985640.db2.gz ATCYVRDYYLRVEX-LPEHRKFASA-N 0 3 212.293 -0.032 20 0 BBADHN C[C@H](CO)CN1CCC[C@H]2C(=O)NC[C@H]21 ZINC000299994642 537909091 /nfs/dbraw/zinc/90/90/91/537909091.db2.gz FVMAOZMKZZPDHL-IVZWLZJFSA-N 0 3 212.293 -0.175 20 0 BBADHN CN[C@H](C)C(=O)N1CCC[C@H]2C(=O)NC[C@H]21 ZINC000299995085 358420963 /nfs/dbraw/zinc/42/09/63/358420963.db2.gz GKIHGNNNMWOQTD-IWSPIJDZSA-N 0 3 225.292 -0.669 20 0 BBADHN C[C@H](O)CCN1CCC[C@H]2C(=O)NC[C@H]21 ZINC000299999098 344269743 /nfs/dbraw/zinc/26/97/43/344269743.db2.gz UVPNALUERXQTCO-IVZWLZJFSA-N 0 3 212.293 -0.032 20 0 BBADHN COC[C@H](O)CN1CCC[C@H]2C(=O)NC[C@@H]21 ZINC000300000151 385186860 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/nfs/dbraw/zinc/88/41/23/354884123.db2.gz NFQARCGDQNLECS-UWVGGRQHSA-N 0 3 241.335 -0.079 20 0 BBADHN CCN1C[C@H](C(=O)N[C@@H](C)CN(C)C)CC1=O ZINC000346263762 354883796 /nfs/dbraw/zinc/88/37/96/354883796.db2.gz NFQARCGDQNLECS-VHSXEESVSA-N 0 3 241.335 -0.079 20 0 BBADHN CCN1C[C@@H](C(=O)N[C@H](C)CN(C)C)CC1=O ZINC000346263763 354884052 /nfs/dbraw/zinc/88/40/52/354884052.db2.gz NFQARCGDQNLECS-ZJUUUORDSA-N 0 3 241.335 -0.079 20 0 BBADHN C[C@H](CN(C)C)NC(=O)[C@H]1CN(C)CCO1 ZINC000346265991 354884849 /nfs/dbraw/zinc/88/48/49/354884849.db2.gz OKBASGRRTSCDSA-NXEZZACHSA-N 0 3 229.324 -0.617 20 0 BBADHN C[C@@H](CN(C)C)NC(=O)[C@@H]1CN(C)CCO1 ZINC000346265994 354884695 /nfs/dbraw/zinc/88/46/95/354884695.db2.gz OKBASGRRTSCDSA-UWVGGRQHSA-N 0 3 229.324 -0.617 20 0 BBADHN C[C@@H](CN(C)C)NC(=O)[C@H]1CN(C)CCO1 ZINC000346265999 354884807 /nfs/dbraw/zinc/88/48/07/354884807.db2.gz OKBASGRRTSCDSA-VHSXEESVSA-N 0 3 229.324 -0.617 20 0 BBADHN C[C@H](CN(C)C)NC(=O)[C@@H]1CN(C)CCO1 ZINC000346266004 354884925 /nfs/dbraw/zinc/88/49/25/354884925.db2.gz OKBASGRRTSCDSA-ZJUUUORDSA-N 0 3 229.324 -0.617 20 0 BBADHN CCN1CCOC[C@@H]1C(=O)N[C@H](C)CN(C)C ZINC000346275202 170001949 /nfs/dbraw/zinc/00/19/49/170001949.db2.gz SOWPYNJIFLZIKR-GHMZBOCLSA-N 0 3 243.351 -0.227 20 0 BBADHN CCN1CCOC[C@H]1C(=O)N[C@H](C)CN(C)C ZINC000346275203 188052082 /nfs/dbraw/zinc/05/20/82/188052082.db2.gz SOWPYNJIFLZIKR-MNOVXSKESA-N 0 3 243.351 -0.227 20 0 BBADHN CCN1CCOC[C@H]1C(=O)N[C@@H](C)CN(C)C ZINC000346275204 170001221 /nfs/dbraw/zinc/00/12/21/170001221.db2.gz SOWPYNJIFLZIKR-QWRGUYRKSA-N 0 3 243.351 -0.227 20 0 BBADHN CCN1CCOC[C@@H]1C(=O)N[C@@H](C)CN(C)C ZINC000346275205 170002185 /nfs/dbraw/zinc/00/21/85/170002185.db2.gz SOWPYNJIFLZIKR-WDEREUQCSA-N 0 3 243.351 -0.227 20 0 BBADHN OCCCN(CCO)CCOCC(F)F ZINC000346278887 386188882 /nfs/dbraw/zinc/18/88/82/386188882.db2.gz GQEWDHUKUJWYDX-UHFFFAOYSA-N 0 3 227.251 -0.055 20 0 BBADHN C[C@@H](O)C(=O)N[C@H](C)CCN1CCN(C)CC1 ZINC000346283511 386190714 /nfs/dbraw/zinc/19/07/14/386190714.db2.gz NJSRTRYBVOYWBE-GHMZBOCLSA-N 0 3 243.351 -0.491 20 0 BBADHN C[C@H](CCN1CCN(C)CC1)NC(=O)[C@H](C)O ZINC000346283512 386190625 /nfs/dbraw/zinc/19/06/25/386190625.db2.gz NJSRTRYBVOYWBE-MNOVXSKESA-N 0 3 243.351 -0.491 20 0 BBADHN C[C@H](O)C(=O)N[C@@H](C)CCN1CCN(C)CC1 ZINC000346283513 386189591 /nfs/dbraw/zinc/18/95/91/386189591.db2.gz NJSRTRYBVOYWBE-QWRGUYRKSA-N 0 3 243.351 -0.491 20 0 BBADHN C[C@@H](O)C(=O)N[C@@H](C)CCN1CCN(C)CC1 ZINC000346283514 386189006 /nfs/dbraw/zinc/18/90/06/386189006.db2.gz NJSRTRYBVOYWBE-WDEREUQCSA-N 0 3 243.351 -0.491 20 0 BBADHN CCOCC(=O)NCCCN1CCC(O)CC1 ZINC000346283660 170343723 /nfs/dbraw/zinc/34/37/23/170343723.db2.gz XMEZGYCSJXYVKV-UHFFFAOYSA-N 0 3 244.335 -0.014 20 0 BBADHN CNC(=O)CC(=O)N1CC[C@@]2(CCN(C)C2)C1 ZINC000346291179 173229338 /nfs/dbraw/zinc/22/93/38/173229338.db2.gz HQLLUIATXVYGGT-GFCCVEGCSA-N 0 3 239.319 -0.323 20 0 BBADHN CNC(=O)CC(=O)N1CC[C@]2(CCN(C)C2)C1 ZINC000346291184 173230224 /nfs/dbraw/zinc/23/02/24/173230224.db2.gz HQLLUIATXVYGGT-LBPRGKRZSA-N 0 3 239.319 -0.323 20 0 BBADHN Cc1[nH]cnc1CC(=O)N[C@@H](C(N)=O)C(C)C ZINC000346301139 354890509 /nfs/dbraw/zinc/89/05/09/354890509.db2.gz JXKHWACUNZBWPO-SNVBAGLBSA-N 0 3 238.291 -0.113 20 0 BBADHN C[C@@H](O)C(=O)N(C)CCN(C)C1CC1 ZINC000346306317 354891344 /nfs/dbraw/zinc/89/13/44/354891344.db2.gz MQMDUQDRBLTROH-MRVPVSSYSA-N 0 3 200.282 -0.080 20 0 BBADHN C[C@H](O)C(=O)N(C)CCN(C)C1CC1 ZINC000346306320 354890818 /nfs/dbraw/zinc/89/08/18/354890818.db2.gz MQMDUQDRBLTROH-QMMMGPOBSA-N 0 3 200.282 -0.080 20 0 BBADHN CCCN(CC)CC(=O)N1CCNC(=O)C1 ZINC000346312101 354892965 /nfs/dbraw/zinc/89/29/65/354892965.db2.gz KLKBFJKBHGPENL-UHFFFAOYSA-N 0 3 227.308 -0.323 20 0 BBADHN COC(=O)CNC(=O)CCN(CCO)C1CC1 ZINC000346351241 354888420 /nfs/dbraw/zinc/88/84/20/354888420.db2.gz URNMUVRUAWVHDT-UHFFFAOYSA-N 0 3 244.291 -0.878 20 0 BBADHN C[C@@H](O)C(=O)NCC1(N(C)C)CCC1 ZINC000346359755 354917152 /nfs/dbraw/zinc/91/71/52/354917152.db2.gz QDGLZUCCXWNADX-MRVPVSSYSA-N 0 3 200.282 -0.032 20 0 BBADHN CN(C)C(=O)CCN(CCO)CCCO ZINC000346430439 172357786 /nfs/dbraw/zinc/35/77/86/172357786.db2.gz SGMSSWSSLFDTTB-UHFFFAOYSA-N 0 3 218.297 -0.859 20 0 BBADHN CC(=O)N1CC(NC(=O)Cc2nc[nH]c2C)C1 ZINC000346439734 354937361 /nfs/dbraw/zinc/93/73/61/354937361.db2.gz SFTSNRKMHUMTFM-UHFFFAOYSA-N 0 3 236.275 -0.392 20 0 BBADHN CC(C)N(C)CC(=O)NC(C)(CO)CO ZINC000346454025 354946879 /nfs/dbraw/zinc/94/68/79/354946879.db2.gz FOFZYMVQPCNYMW-UHFFFAOYSA-N 0 3 218.297 -0.814 20 0 BBADHN CC(=O)N1CC(NC(=O)C2CCN(C)CC2)C1 ZINC000346477841 354957162 /nfs/dbraw/zinc/95/71/62/354957162.db2.gz DXGFVSYISVOMDK-UHFFFAOYSA-N 0 3 239.319 -0.325 20 0 BBADHN CN(C)CCNC(=O)NCc1ccn(C)n1 ZINC000346536583 354980304 /nfs/dbraw/zinc/98/03/04/354980304.db2.gz RLQNUIIBXYBSIU-UHFFFAOYSA-N 0 3 225.296 -0.219 20 0 BBADHN C[C@H](O)C(=O)N1CC[C@H]2CCN(C)C[C@@H]21 ZINC000346601103 354989175 /nfs/dbraw/zinc/98/91/75/354989175.db2.gz YHYYECOAIJOZGO-AEJSXWLSSA-N 0 3 212.293 -0.080 20 0 BBADHN C[C@H](O)C(=O)N1CC[C@@H]2CCN(C)C[C@@H]21 ZINC000346601106 354989185 /nfs/dbraw/zinc/98/91/85/354989185.db2.gz YHYYECOAIJOZGO-GUBZILKMSA-N 0 3 212.293 -0.080 20 0 BBADHN C[C@H](O)C(=O)N1CC[C@H]2CCN(C)C[C@H]21 ZINC000346601109 354989317 /nfs/dbraw/zinc/98/93/17/354989317.db2.gz YHYYECOAIJOZGO-IVZWLZJFSA-N 0 3 212.293 -0.080 20 0 BBADHN C[C@H](O)C(=O)N1CC[C@@H]2CCN(C)C[C@H]21 ZINC000346601111 354989337 /nfs/dbraw/zinc/98/93/37/354989337.db2.gz YHYYECOAIJOZGO-LPEHRKFASA-N 0 3 212.293 -0.080 20 0 BBADHN C[C@@H]1CN([C@H]2CCCCNC2=O)C[C@H]1C(N)=O ZINC000346604144 354989994 /nfs/dbraw/zinc/98/99/94/354989994.db2.gz MKRDBAFOGHLHBM-BBBLOLIVSA-N 0 3 239.319 -0.292 20 0 BBADHN C[C@@H]1CN([C@@H]2CCCCNC2=O)C[C@@H]1C(N)=O ZINC000346604149 354990116 /nfs/dbraw/zinc/99/01/16/354990116.db2.gz MKRDBAFOGHLHBM-KXUCPTDWSA-N 0 3 239.319 -0.292 20 0 BBADHN C[C@@H]1CN([C@@H]2CCCCNC2=O)C[C@H]1C(N)=O ZINC000346604156 354990381 /nfs/dbraw/zinc/99/03/81/354990381.db2.gz MKRDBAFOGHLHBM-OPRDCNLKSA-N 0 3 239.319 -0.292 20 0 BBADHN C[C@@H]1CN([C@H]2CCCCNC2=O)C[C@@H]1C(N)=O ZINC000346604162 354990293 /nfs/dbraw/zinc/99/02/93/354990293.db2.gz MKRDBAFOGHLHBM-UTLUCORTSA-N 0 3 239.319 -0.292 20 0 BBADHN CCNS(=O)(=O)NCCCN1CCCC1 ZINC000346604960 354991049 /nfs/dbraw/zinc/99/10/49/354991049.db2.gz KUPGICFKHAGSTD-UHFFFAOYSA-N 0 3 235.353 -0.084 20 0 BBADHN COC(=O)[C@@H](C)N1CCCN([C@H](C)CO)CC1 ZINC000346614591 354994267 /nfs/dbraw/zinc/99/42/67/354994267.db2.gz HYXVVJDHCYNJCQ-GHMZBOCLSA-N 0 3 244.335 -0.064 20 0 BBADHN COC(=O)[C@H](C)N1CCCN([C@H](C)CO)CC1 ZINC000346614593 354994158 /nfs/dbraw/zinc/99/41/58/354994158.db2.gz HYXVVJDHCYNJCQ-MNOVXSKESA-N 0 3 244.335 -0.064 20 0 BBADHN COC(=O)[C@H](C)N1CCCN([C@@H](C)CO)CC1 ZINC000346614595 354994044 /nfs/dbraw/zinc/99/40/44/354994044.db2.gz HYXVVJDHCYNJCQ-QWRGUYRKSA-N 0 3 244.335 -0.064 20 0 BBADHN COC(=O)[C@@H](C)N1CCCN([C@@H](C)CO)CC1 ZINC000346614596 354994029 /nfs/dbraw/zinc/99/40/29/354994029.db2.gz HYXVVJDHCYNJCQ-WDEREUQCSA-N 0 3 244.335 -0.064 20 0 BBADHN C[C@@H](O)C(=O)NCCOCCN(C)C ZINC000346622272 354995899 /nfs/dbraw/zinc/99/58/99/354995899.db2.gz WFKHNKXSEJENFS-MRVPVSSYSA-N 0 3 204.270 -0.938 20 0 BBADHN C[C@H](O)C(=O)NCCOCCN(C)C ZINC000346622274 354996071 /nfs/dbraw/zinc/99/60/71/354996071.db2.gz WFKHNKXSEJENFS-QMMMGPOBSA-N 0 3 204.270 -0.938 20 0 BBADHN CCNS(=O)(=O)N(C)CCN1CCCC1 ZINC000346630344 354998401 /nfs/dbraw/zinc/99/84/01/354998401.db2.gz VIWZWJWJWXIFKZ-UHFFFAOYSA-N 0 3 235.353 -0.132 20 0 BBADHN COC[C@H](O)CN1C[C@@H]2CCC[C@H]2[C@@H]1C(N)=O ZINC000346644863 355017200 /nfs/dbraw/zinc/01/72/00/355017200.db2.gz MJVMMUUJSDVBPI-LNFKQOIKSA-N 0 3 242.319 -0.421 20 0 BBADHN COC[C@H](O)CN1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O ZINC000346646770 355017152 /nfs/dbraw/zinc/01/71/52/355017152.db2.gz MJVMMUUJSDVBPI-VLEAKVRGSA-N 0 3 242.319 -0.421 20 0 BBADHN COC[C@H](O)CN1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O ZINC000346646771 355017103 /nfs/dbraw/zinc/01/71/03/355017103.db2.gz MJVMMUUJSDVBPI-ZDCRXTMVSA-N 0 3 242.319 -0.421 20 0 BBADHN COC[C@H](O)CN1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O ZINC000346646772 355017191 /nfs/dbraw/zinc/01/71/91/355017191.db2.gz MJVMMUUJSDVBPI-ZRUFSTJUSA-N 0 3 242.319 -0.421 20 0 BBADHN C[C@H](CO)N1CCCN(CCOCCO)CC1 ZINC000346665541 355006475 /nfs/dbraw/zinc/00/64/75/355006475.db2.gz DARFVZFYLOJVQM-GFCCVEGCSA-N 0 3 246.351 -0.616 20 0 BBADHN C[C@@H](CO)N1CCCN(CCOCCO)CC1 ZINC000346665549 355006791 /nfs/dbraw/zinc/00/67/91/355006791.db2.gz DARFVZFYLOJVQM-LBPRGKRZSA-N 0 3 246.351 -0.616 20 0 BBADHN CCNC(=O)CN1CCCN([C@H](C)CO)CC1 ZINC000346669797 355007398 /nfs/dbraw/zinc/00/73/98/355007398.db2.gz IXWTVSRRBWFCIY-LLVKDONJSA-N 0 3 243.351 -0.489 20 0 BBADHN CCNC(=O)CN1CCCN([C@@H](C)CO)CC1 ZINC000346669807 355007175 /nfs/dbraw/zinc/00/71/75/355007175.db2.gz IXWTVSRRBWFCIY-NSHDSACASA-N 0 3 243.351 -0.489 20 0 BBADHN COC(=O)[C@@H]1CCN(CCOCCO)[C@@H]1C ZINC000346685934 355013054 /nfs/dbraw/zinc/01/30/54/355013054.db2.gz RCZLWOKMRFQKOQ-NXEZZACHSA-N 0 3 231.292 -0.121 20 0 BBADHN COC(=O)[C@H]1CCN(CCOCCO)[C@H]1C ZINC000346685935 355012503 /nfs/dbraw/zinc/01/25/03/355012503.db2.gz RCZLWOKMRFQKOQ-UWVGGRQHSA-N 0 3 231.292 -0.121 20 0 BBADHN COC(=O)[C@@H]1CCN(CCOCCO)[C@H]1C ZINC000346685936 355012770 /nfs/dbraw/zinc/01/27/70/355012770.db2.gz RCZLWOKMRFQKOQ-VHSXEESVSA-N 0 3 231.292 -0.121 20 0 BBADHN COC(=O)[C@H]1CCN(CCOCCO)[C@@H]1C ZINC000346685937 355013007 /nfs/dbraw/zinc/01/30/07/355013007.db2.gz RCZLWOKMRFQKOQ-ZJUUUORDSA-N 0 3 231.292 -0.121 20 0 BBADHN CC[C@H](C(N)=O)N1CCCN([C@H](C)CO)CC1 ZINC000346687517 355013222 /nfs/dbraw/zinc/01/32/22/355013222.db2.gz WNCGFPDVTGKXGJ-GHMZBOCLSA-N 0 3 243.351 -0.361 20 0 BBADHN CC[C@@H](C(N)=O)N1CCCN([C@H](C)CO)CC1 ZINC000346687518 355012564 /nfs/dbraw/zinc/01/25/64/355012564.db2.gz WNCGFPDVTGKXGJ-MNOVXSKESA-N 0 3 243.351 -0.361 20 0 BBADHN CC[C@@H](C(N)=O)N1CCCN([C@@H](C)CO)CC1 ZINC000346687519 355012850 /nfs/dbraw/zinc/01/28/50/355012850.db2.gz WNCGFPDVTGKXGJ-QWRGUYRKSA-N 0 3 243.351 -0.361 20 0 BBADHN CC[C@H](C(N)=O)N1CCCN([C@@H](C)CO)CC1 ZINC000346687520 355012895 /nfs/dbraw/zinc/01/28/95/355012895.db2.gz WNCGFPDVTGKXGJ-WDEREUQCSA-N 0 3 243.351 -0.361 20 0 BBADHN CN1CC[C@](O)(CNC(=O)c2cncs2)C1 ZINC000346730086 355088730 /nfs/dbraw/zinc/08/87/30/355088730.db2.gz OMMXBOKMJFQXOG-JTQLQIEISA-N 0 3 241.316 -0.061 20 0 BBADHN CN1CC[C@@](O)(CNC(=O)c2cncs2)C1 ZINC000346730087 355088909 /nfs/dbraw/zinc/08/89/09/355088909.db2.gz OMMXBOKMJFQXOG-SNVBAGLBSA-N 0 3 241.316 -0.061 20 0 BBADHN CCN1CCCN(C(=O)[C@H]2COCCO2)CC1 ZINC000346732533 355088458 /nfs/dbraw/zinc/08/84/58/355088458.db2.gz SBNYHIBTVPAOPK-LLVKDONJSA-N 0 3 242.319 -0.044 20 0 BBADHN CCN1CCCN(C(=O)[C@@H]2COCCO2)CC1 ZINC000346732534 355088559 /nfs/dbraw/zinc/08/85/59/355088559.db2.gz SBNYHIBTVPAOPK-NSHDSACASA-N 0 3 242.319 -0.044 20 0 BBADHN CN(C)CCNC(=O)C(=O)NCC(F)F ZINC000346820788 355124862 /nfs/dbraw/zinc/12/48/62/355124862.db2.gz LEVFUWSSJVWNBC-UHFFFAOYSA-N 0 3 223.223 -0.955 20 0 BBADHN CN(C)CCNC(=O)c1ccc2n[nH]nc2n1 ZINC000346827856 355126790 /nfs/dbraw/zinc/12/67/90/355126790.db2.gz XUULWLJWRSUTLT-UHFFFAOYSA-N 0 3 234.263 -0.356 20 0 BBADHN CNC(=O)[C@H](C)NC(=O)[C@@H](C(C)C)N(C)C ZINC000346835105 355130601 /nfs/dbraw/zinc/13/06/01/355130601.db2.gz MJGKEHZOTKBNNR-DTWKUNHWSA-N 0 3 229.324 -0.177 20 0 BBADHN OCCN(CCO)CCOC1CCC1 ZINC000346840110 355133793 /nfs/dbraw/zinc/13/37/93/355133793.db2.gz KDOXPUKVCZGMLB-UHFFFAOYSA-N 0 3 203.282 -0.158 20 0 BBADHN CNC(=O)[C@@H](C)NC(=O)CC1CCN(C)CC1 ZINC000346866497 355157348 /nfs/dbraw/zinc/15/73/48/355157348.db2.gz WVXYUAXAHSQWQX-SECBINFHSA-N 0 3 241.335 -0.031 20 0 BBADHN CNC(=O)[C@H](C)NC(=O)CC1CCN(C)CC1 ZINC000346866500 355157249 /nfs/dbraw/zinc/15/72/49/355157249.db2.gz WVXYUAXAHSQWQX-VIFPVBQESA-N 0 3 241.335 -0.031 20 0 BBADHN CCNC(=O)CNC(=O)CC1CCN(C)CC1 ZINC000346872378 355140970 /nfs/dbraw/zinc/14/09/70/355140970.db2.gz YDPGMQAORHDKFA-UHFFFAOYSA-N 0 3 241.335 -0.029 20 0 BBADHN COC[C@H](O)CNC(=O)CC1CCN(C)CC1 ZINC000346925495 355176496 /nfs/dbraw/zinc/17/64/96/355176496.db2.gz 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241.335 -0.029 20 0 BBADHN CC(=O)NCC(=O)N(C)[C@@H]1CCN(C2CC2)C1 ZINC000347001895 355199816 /nfs/dbraw/zinc/19/98/16/355199816.db2.gz BIYNKFVKGRAHDJ-LLVKDONJSA-N 0 3 239.319 -0.182 20 0 BBADHN CC(=O)NCC(=O)N(C)[C@H]1CCN(C2CC2)C1 ZINC000347001896 355199521 /nfs/dbraw/zinc/19/95/21/355199521.db2.gz BIYNKFVKGRAHDJ-NSHDSACASA-N 0 3 239.319 -0.182 20 0 BBADHN COCCCN(C)CCNC(=O)C1(O)CCC1 ZINC000347026826 386220237 /nfs/dbraw/zinc/22/02/37/386220237.db2.gz GVPDXGNNAFGHBP-UHFFFAOYSA-N 0 3 244.335 -0.014 20 0 BBADHN COCC[C@H](C)N1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000347073046 387293368 /nfs/dbraw/zinc/29/33/68/387293368.db2.gz RQGAZZOCBBEIDB-AEJSXWLSSA-N 0 3 230.308 -0.014 20 0 BBADHN COCC[C@H](C)N1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000347073638 387293635 /nfs/dbraw/zinc/29/36/35/387293635.db2.gz RQGAZZOCBBEIDB-IVZWLZJFSA-N 0 3 230.308 -0.014 20 0 BBADHN CCCN(C)CC(=O)NC[C@@H](O)[C@@H]1CCOC1 ZINC000347088066 386245267 /nfs/dbraw/zinc/24/52/67/386245267.db2.gz PLOCNAKUIIHTTD-GHMZBOCLSA-N 0 3 244.335 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C[C@@H]([N-]S(=O)(=O)c1c[nH]cn1)[C@H](C)[NH3+] ZINC000381794218 346865766 /nfs/dbraw/zinc/86/57/66/346865766.db2.gz SQYZKQXQMGVBQE-NTSWFWBYSA-N 0 3 218.282 -0.576 20 0 BBADHN C[C@@H]([NH3+])[C@@H](C)[N-]S(=O)(=O)c1c[nH]cn1 ZINC000381794220 367457556 /nfs/dbraw/zinc/45/75/56/367457556.db2.gz SQYZKQXQMGVBQE-PHDIDXHHSA-N 0 3 218.282 -0.576 20 0 BBADHN C[C@@H]([NH3+])[C@H](C)[N-]S(=O)(=O)c1c[nH]cn1 ZINC000381794222 367458187 /nfs/dbraw/zinc/45/81/87/367458187.db2.gz SQYZKQXQMGVBQE-RITPCOANSA-N 0 3 218.282 -0.576 20 0 BBADHN C[C@H]([NH3+])[C@H](C)[N-]S(=O)(=O)c1c[nH]cn1 ZINC000381794223 367457890 /nfs/dbraw/zinc/45/78/90/367457890.db2.gz SQYZKQXQMGVBQE-WDSKDSINSA-N 0 3 218.282 -0.576 20 0 BBADHN O=C(CN[C@H](CO)C1CC1)Nc1nncs1 ZINC000381809940 710720884 /nfs/dbraw/zinc/72/08/84/710720884.db2.gz HDUDBVHKESZEAB-SSDOTTSWSA-N 0 3 242.304 -0.163 20 0 BBADHN O=C(CN[C@@H](CO)C1CC1)Nc1nncs1 ZINC000381809950 710720676 /nfs/dbraw/zinc/72/06/76/710720676.db2.gz HDUDBVHKESZEAB-ZETCQYMHSA-N 0 3 242.304 -0.163 20 0 BBADHN O=C(CN[C@H](CO)C1CC1)Nc1ccon1 ZINC000381835163 710726788 /nfs/dbraw/zinc/72/67/88/710726788.db2.gz OQASBWXCGBVIPU-MRVPVSSYSA-N 0 3 225.248 -0.605 20 0 BBADHN O=C(CN[C@@H](CO)C1CC1)Nc1ccon1 ZINC000381835166 710726137 /nfs/dbraw/zinc/72/61/37/710726137.db2.gz OQASBWXCGBVIPU-QMMMGPOBSA-N 0 3 225.248 -0.605 20 0 BBADHN C[C@@H]1[C@@H](N(C)C)CCN1S(=O)(=O)N(C)C ZINC000381859542 398280332 /nfs/dbraw/zinc/28/03/32/398280332.db2.gz IHKFZGVXNVKFAJ-BDAKNGLRSA-N 0 3 235.353 -0.183 20 0 BBADHN C[C@H]1[C@H](N(C)C)CCN1S(=O)(=O)N(C)C ZINC000381859559 398280393 /nfs/dbraw/zinc/28/03/93/398280393.db2.gz IHKFZGVXNVKFAJ-DTWKUNHWSA-N 0 3 235.353 -0.183 20 0 BBADHN C[C@H]1[C@@H](N(C)C)CCN1S(=O)(=O)N(C)C ZINC000381859571 398255397 /nfs/dbraw/zinc/25/53/97/398255397.db2.gz IHKFZGVXNVKFAJ-IUCAKERBSA-N 0 3 235.353 -0.183 20 0 BBADHN C[C@@H]1[C@H](N(C)C)CCN1S(=O)(=O)N(C)C ZINC000381859583 398280288 /nfs/dbraw/zinc/28/02/88/398280288.db2.gz IHKFZGVXNVKFAJ-RKDXNWHRSA-N 0 3 235.353 -0.183 20 0 BBADHN CC(C)[C@@H](N)C(=O)N[C@@H]1CCS(=O)(=O)[C@@H]1C ZINC000381868664 398281083 /nfs/dbraw/zinc/28/10/83/398281083.db2.gz XXUYOQAHZWACJI-IWSPIJDZSA-N 0 3 248.348 -0.339 20 0 BBADHN CCOC(=O)C[C@@H](O)CN(C)CCC(N)=O ZINC000381895014 346758194 /nfs/dbraw/zinc/75/81/94/346758194.db2.gz VYQGEYBFLZSHBC-MRVPVSSYSA-N 0 3 232.280 -0.892 20 0 BBADHN CCOC(=O)C[C@H](O)CN(C)CCC(N)=O ZINC000381895015 346757905 /nfs/dbraw/zinc/75/79/05/346757905.db2.gz VYQGEYBFLZSHBC-QMMMGPOBSA-N 0 3 232.280 -0.892 20 0 BBADHN CN(CCC(N)=O)Cc1ccc(N)nc1 ZINC000381992804 710764511 /nfs/dbraw/zinc/76/45/11/710764511.db2.gz UISFACIYOMYCRY-UHFFFAOYSA-N 0 3 208.265 -0.199 20 0 BBADHN CCOC(=O)/C=C\CN(C)CCC(N)=O ZINC000381999575 710763831 /nfs/dbraw/zinc/76/38/31/710763831.db2.gz PWVPBQWUZTYGFA-PLNGDYQASA-N 0 3 214.265 -0.087 20 0 BBADHN CCOC(=O)/C=C/CN(C)CCC(N)=O ZINC000381999579 710764191 /nfs/dbraw/zinc/76/41/91/710764191.db2.gz PWVPBQWUZTYGFA-SNAWJCMRSA-N 0 3 214.265 -0.087 20 0 BBADHN COC(=O)/C(C)=C/CN(C)CCC(N)=O ZINC000382003752 710765915 /nfs/dbraw/zinc/76/59/15/710765915.db2.gz UUVXBTRWSVHZBC-XBXARRHUSA-N 0 3 214.265 -0.087 20 0 BBADHN COC(=O)/C(C)=C\CN(C)CCC(N)=O ZINC000382003753 710765430 /nfs/dbraw/zinc/76/54/30/710765430.db2.gz UUVXBTRWSVHZBC-YWEYNIOJSA-N 0 3 214.265 -0.087 20 0 BBADHN Cn1ccc(C(=O)N2CCN3CC[C@H]2C3)cc1=O ZINC000382058577 398302579 /nfs/dbraw/zinc/30/25/79/398302579.db2.gz ZYMRGMOLLYNCQJ-NSHDSACASA-N 0 3 247.298 -0.085 20 0 BBADHN CN(C)CCONC(=O)CCn1cccn1 ZINC000382069291 710773901 /nfs/dbraw/zinc/77/39/01/710773901.db2.gz FKEDPFHXSYRGGW-UHFFFAOYSA-N 0 3 226.280 -0.117 20 0 BBADHN Cc1c(C(=O)NOCCN(C)C)cnn1C ZINC000382070476 710773294 /nfs/dbraw/zinc/77/32/94/710773294.db2.gz FXFCRCKJJZSARV-UHFFFAOYSA-N 0 3 226.280 -0.048 20 0 BBADHN COCCN1CC[C@](O)(C(=O)OC)C1 ZINC000382071899 710774092 /nfs/dbraw/zinc/77/40/92/710774092.db2.gz SHPWPKUPUSEZPT-SECBINFHSA-N 0 3 203.238 -0.757 20 0 BBADHN COCCN1CC[C@@](O)(C(=O)OC)C1 ZINC000382071901 710773461 /nfs/dbraw/zinc/77/34/61/710773461.db2.gz SHPWPKUPUSEZPT-VIFPVBQESA-N 0 3 203.238 -0.757 20 0 BBADHN CN(C)CCONC(=O)c1cnn(C)c1 ZINC000382081965 710775280 /nfs/dbraw/zinc/77/52/80/710775280.db2.gz ISBAZAHRRYYYJX-UHFFFAOYSA-N 0 3 212.253 -0.357 20 0 BBADHN CN(C)CCONC(=O)c1cnns1 ZINC000382094675 710775473 /nfs/dbraw/zinc/77/54/73/710775473.db2.gz MNWSGWYRHHWRSJ-UHFFFAOYSA-N 0 3 216.266 -0.239 20 0 BBADHN OC[C@@H]1CCCN([C@@H]2COC[C@H]2O)CC1 ZINC000382103692 347175751 /nfs/dbraw/zinc/17/57/51/347175751.db2.gz HNLZTGUADCUBDN-GMTAPVOTSA-N 0 3 215.293 -0.160 20 0 BBADHN OC[C@@H]1CCCN([C@H]2COC[C@H]2O)CC1 ZINC000382103704 347176077 /nfs/dbraw/zinc/17/60/77/347176077.db2.gz HNLZTGUADCUBDN-OUAUKWLOSA-N 0 3 215.293 -0.160 20 0 BBADHN CN(C)CCONC(=O)c1ccn(C)n1 ZINC000382108319 710786079 /nfs/dbraw/zinc/78/60/79/710786079.db2.gz QIKZIICNBYZQGB-UHFFFAOYSA-N 0 3 212.253 -0.357 20 0 BBADHN Cc1nc(N)nc(N2CC(N(C)C)C2)n1 ZINC000382123632 398306673 /nfs/dbraw/zinc/30/66/73/398306673.db2.gz BVKYWEVDTFSNHM-UHFFFAOYSA-N 0 3 208.269 -0.657 20 0 BBADHN CN(C)CCONC(=O)c1ncccc1N ZINC000382175423 710804648 /nfs/dbraw/zinc/80/46/48/710804648.db2.gz MPZOXOKBNBJQTM-UHFFFAOYSA-N 0 3 224.264 -0.113 20 0 BBADHN CC[C@H](CO)N(C)CCN1C(=O)CCC1=O ZINC000382280332 397929356 /nfs/dbraw/zinc/92/93/56/397929356.db2.gz ONBMXLPLIXOCIT-SECBINFHSA-N 0 3 228.292 -0.162 20 0 BBADHN CC[C@@H](CO)N(C)CCN1C(=O)CCC1=O ZINC000382280369 397928879 /nfs/dbraw/zinc/92/88/79/397928879.db2.gz ONBMXLPLIXOCIT-VIFPVBQESA-N 0 3 228.292 -0.162 20 0 BBADHN [NH3+]C[C@H]1CC[C@H](NC(=O)c2cn[n-]n2)C1 ZINC000382309825 367506611 /nfs/dbraw/zinc/50/66/11/367506611.db2.gz NUAPVBXJORRIBT-BQBZGAKWSA-N 0 3 209.253 -0.338 20 0 BBADHN [NH3+]C[C@H]1CC[C@H](NC(=O)c2cnn[n-]2)C1 ZINC000382309825 367506609 /nfs/dbraw/zinc/50/66/09/367506609.db2.gz NUAPVBXJORRIBT-BQBZGAKWSA-N 0 3 209.253 -0.338 20 0 BBADHN [NH3+]C[C@H]1CC[C@H](NC(=O)c2c[n-]nn2)C1 ZINC000382309825 367506608 /nfs/dbraw/zinc/50/66/08/367506608.db2.gz NUAPVBXJORRIBT-BQBZGAKWSA-N 0 3 209.253 -0.338 20 0 BBADHN [NH3+]C[C@H]1CC[C@@H](NC(=O)c2cn[n-]n2)C1 ZINC000382309826 367506869 /nfs/dbraw/zinc/50/68/69/367506869.db2.gz NUAPVBXJORRIBT-NKWVEPMBSA-N 0 3 209.253 -0.338 20 0 BBADHN [NH3+]C[C@H]1CC[C@@H](NC(=O)c2cnn[n-]2)C1 ZINC000382309826 367506863 /nfs/dbraw/zinc/50/68/63/367506863.db2.gz NUAPVBXJORRIBT-NKWVEPMBSA-N 0 3 209.253 -0.338 20 0 BBADHN [NH3+]C[C@H]1CC[C@@H](NC(=O)c2c[n-]nn2)C1 ZINC000382309826 367506859 /nfs/dbraw/zinc/50/68/59/367506859.db2.gz NUAPVBXJORRIBT-NKWVEPMBSA-N 0 3 209.253 -0.338 20 0 BBADHN [NH3+]C[C@@H]1CC[C@@H](NC(=O)c2cn[n-]n2)C1 ZINC000382309828 367506571 /nfs/dbraw/zinc/50/65/71/367506571.db2.gz NUAPVBXJORRIBT-RNFRBKRXSA-N 0 3 209.253 -0.338 20 0 BBADHN [NH3+]C[C@@H]1CC[C@@H](NC(=O)c2cnn[n-]2)C1 ZINC000382309828 367506569 /nfs/dbraw/zinc/50/65/69/367506569.db2.gz NUAPVBXJORRIBT-RNFRBKRXSA-N 0 3 209.253 -0.338 20 0 BBADHN [NH3+]C[C@@H]1CC[C@@H](NC(=O)c2c[n-]nn2)C1 ZINC000382309828 367506567 /nfs/dbraw/zinc/50/65/67/367506567.db2.gz NUAPVBXJORRIBT-RNFRBKRXSA-N 0 3 209.253 -0.338 20 0 BBADHN [NH3+]C[C@@H]1CC[C@H](NC(=O)c2cn[n-]n2)C1 ZINC000382309830 367506624 /nfs/dbraw/zinc/50/66/24/367506624.db2.gz NUAPVBXJORRIBT-RQJHMYQMSA-N 0 3 209.253 -0.338 20 0 BBADHN [NH3+]C[C@@H]1CC[C@H](NC(=O)c2cnn[n-]2)C1 ZINC000382309830 367506622 /nfs/dbraw/zinc/50/66/22/367506622.db2.gz NUAPVBXJORRIBT-RQJHMYQMSA-N 0 3 209.253 -0.338 20 0 BBADHN [NH3+]C[C@@H]1CC[C@H](NC(=O)c2c[n-]nn2)C1 ZINC000382309830 367506620 /nfs/dbraw/zinc/50/66/20/367506620.db2.gz NUAPVBXJORRIBT-RQJHMYQMSA-N 0 3 209.253 -0.338 20 0 BBADHN COc1c(N)ncnc1N1CC(N(C)C)C1 ZINC000382352266 367511252 /nfs/dbraw/zinc/51/12/52/367511252.db2.gz QKOCZAMUPCXRAA-UHFFFAOYSA-N 0 3 223.280 -0.182 20 0 BBADHN O=S(=O)(CCCF)NC[C@@H]1C[C@H](F)CN1 ZINC000382401311 397946967 /nfs/dbraw/zinc/94/69/67/397946967.db2.gz QCIGYLNNYOXSRE-YUMQZZPRSA-N 0 3 242.291 -0.035 20 0 BBADHN CC[C@@](C)(NC[C@@H]1CN(C)C(=O)O1)C(N)=O ZINC000382415895 367519347 /nfs/dbraw/zinc/51/93/47/367519347.db2.gz VZHHNGDISUZWDL-GMSGAONNSA-N 0 3 229.280 -0.319 20 0 BBADHN CC[C@@](C)(NC[C@H]1CN(C)C(=O)O1)C(N)=O ZINC000382415896 367519405 /nfs/dbraw/zinc/51/94/05/367519405.db2.gz VZHHNGDISUZWDL-OIBJUYFYSA-N 0 3 229.280 -0.319 20 0 BBADHN CC[C@](C)(NC[C@@H]1CN(C)C(=O)O1)C(N)=O ZINC000382415897 367518539 /nfs/dbraw/zinc/51/85/39/367518539.db2.gz VZHHNGDISUZWDL-XCBNKYQSSA-N 0 3 229.280 -0.319 20 0 BBADHN CC[C@](C)(NC[C@H]1CN(C)C(=O)O1)C(N)=O ZINC000382415898 367518718 /nfs/dbraw/zinc/51/87/18/367518718.db2.gz VZHHNGDISUZWDL-XVKPBYJWSA-N 0 3 229.280 -0.319 20 0 BBADHN [NH3+][C@H]1CCC[C@H](NC(=O)c2cn[n-]n2)C1 ZINC000382427544 397948745 /nfs/dbraw/zinc/94/87/45/397948745.db2.gz NOCLKMZYIYWFNJ-BQBZGAKWSA-N 0 3 209.253 -0.196 20 0 BBADHN [NH3+][C@H]1CCC[C@H](NC(=O)c2cnn[n-]2)C1 ZINC000382427544 397948742 /nfs/dbraw/zinc/94/87/42/397948742.db2.gz NOCLKMZYIYWFNJ-BQBZGAKWSA-N 0 3 209.253 -0.196 20 0 BBADHN [NH3+][C@H]1CCC[C@H](NC(=O)c2c[n-]nn2)C1 ZINC000382427544 397948741 /nfs/dbraw/zinc/94/87/41/397948741.db2.gz NOCLKMZYIYWFNJ-BQBZGAKWSA-N 0 3 209.253 -0.196 20 0 BBADHN [NH3+][C@H]1CCC[C@@H](NC(=O)c2cn[n-]n2)C1 ZINC000382427545 397948889 /nfs/dbraw/zinc/94/88/89/397948889.db2.gz NOCLKMZYIYWFNJ-NKWVEPMBSA-N 0 3 209.253 -0.196 20 0 BBADHN [NH3+][C@H]1CCC[C@@H](NC(=O)c2cnn[n-]2)C1 ZINC000382427545 397948887 /nfs/dbraw/zinc/94/88/87/397948887.db2.gz NOCLKMZYIYWFNJ-NKWVEPMBSA-N 0 3 209.253 -0.196 20 0 BBADHN [NH3+][C@H]1CCC[C@@H](NC(=O)c2c[n-]nn2)C1 ZINC000382427545 397948884 /nfs/dbraw/zinc/94/88/84/397948884.db2.gz NOCLKMZYIYWFNJ-NKWVEPMBSA-N 0 3 209.253 -0.196 20 0 BBADHN [NH3+][C@@H]1CCC[C@@H](NC(=O)c2cn[n-]n2)C1 ZINC000382427548 397948866 /nfs/dbraw/zinc/94/88/66/397948866.db2.gz NOCLKMZYIYWFNJ-RNFRBKRXSA-N 0 3 209.253 -0.196 20 0 BBADHN [NH3+][C@@H]1CCC[C@@H](NC(=O)c2cnn[n-]2)C1 ZINC000382427548 397948865 /nfs/dbraw/zinc/94/88/65/397948865.db2.gz NOCLKMZYIYWFNJ-RNFRBKRXSA-N 0 3 209.253 -0.196 20 0 BBADHN [NH3+][C@@H]1CCC[C@@H](NC(=O)c2c[n-]nn2)C1 ZINC000382427548 397948862 /nfs/dbraw/zinc/94/88/62/397948862.db2.gz NOCLKMZYIYWFNJ-RNFRBKRXSA-N 0 3 209.253 -0.196 20 0 BBADHN [NH3+][C@@H]1CCC[C@H](NC(=O)c2cn[n-]n2)C1 ZINC000382427551 397948948 /nfs/dbraw/zinc/94/89/48/397948948.db2.gz NOCLKMZYIYWFNJ-RQJHMYQMSA-N 0 3 209.253 -0.196 20 0 BBADHN [NH3+][C@@H]1CCC[C@H](NC(=O)c2cnn[n-]2)C1 ZINC000382427551 397948947 /nfs/dbraw/zinc/94/89/47/397948947.db2.gz NOCLKMZYIYWFNJ-RQJHMYQMSA-N 0 3 209.253 -0.196 20 0 BBADHN [NH3+][C@@H]1CCC[C@H](NC(=O)c2c[n-]nn2)C1 ZINC000382427551 397948944 /nfs/dbraw/zinc/94/89/44/397948944.db2.gz NOCLKMZYIYWFNJ-RQJHMYQMSA-N 0 3 209.253 -0.196 20 0 BBADHN OC[C@@H](O)CN1CCC[C@@H](N2CCOCC2)C1 ZINC000382765771 710975132 /nfs/dbraw/zinc/97/51/32/710975132.db2.gz STUQZISHLYDUNR-NEPJUHHUSA-N 0 3 244.335 -0.864 20 0 BBADHN OC[C@H](O)CN1CCC[C@H](N2CCOCC2)C1 ZINC000382765773 710974583 /nfs/dbraw/zinc/97/45/83/710974583.db2.gz STUQZISHLYDUNR-NWDGAFQWSA-N 0 3 244.335 -0.864 20 0 BBADHN OC[C@@H](O)CN1CCC[C@H](N2CCOCC2)C1 ZINC000382765774 710974082 /nfs/dbraw/zinc/97/40/82/710974082.db2.gz STUQZISHLYDUNR-RYUDHWBXSA-N 0 3 244.335 -0.864 20 0 BBADHN OC[C@H](O)CN1CCC[C@@H](N2CCOCC2)C1 ZINC000382765775 710975100 /nfs/dbraw/zinc/97/51/00/710975100.db2.gz STUQZISHLYDUNR-VXGBXAGGSA-N 0 3 244.335 -0.864 20 0 BBADHN CC1(C)CN(C(=O)CCn2cncn2)CCN1 ZINC000382781046 361978966 /nfs/dbraw/zinc/97/89/66/361978966.db2.gz SKSLIPPGMLFSQN-UHFFFAOYSA-N 0 3 237.307 -0.121 20 0 BBADHN CCNC(=O)NC(=O)CN(C)[C@H](C)C(C)(C)O ZINC000382910170 367567360 /nfs/dbraw/zinc/56/73/60/367567360.db2.gz ZYPVUJMSYQTNGE-MRVPVSSYSA-N 0 3 245.323 -0.077 20 0 BBADHN CCNC(=O)NC(=O)CN(C)[C@@H](C)C(C)(C)O ZINC000382910172 367566916 /nfs/dbraw/zinc/56/69/16/367566916.db2.gz ZYPVUJMSYQTNGE-QMMMGPOBSA-N 0 3 245.323 -0.077 20 0 BBADHN CNC(=O)CCNC(=O)[C@@H](C)NC1CC1 ZINC000382915031 367566704 /nfs/dbraw/zinc/56/67/04/367566704.db2.gz ATFZJYFRJHPKCM-SSDOTTSWSA-N 0 3 213.281 -0.621 20 0 BBADHN CNC(=O)CCNC(=O)[C@H](C)NC1CC1 ZINC000382915032 367566477 /nfs/dbraw/zinc/56/64/77/367566477.db2.gz ATFZJYFRJHPKCM-ZETCQYMHSA-N 0 3 213.281 -0.621 20 0 BBADHN CCC[C@H](NC(=O)[C@@H](C)NC1CC1)C(N)=O ZINC000382918418 710975027 /nfs/dbraw/zinc/97/50/27/710975027.db2.gz BQVNCNYQZMNJSQ-APPZFPTMSA-N 0 3 227.308 -0.103 20 0 BBADHN CCC[C@H](NC(=O)[C@H](C)NC1CC1)C(N)=O ZINC000382918419 710974819 /nfs/dbraw/zinc/97/48/19/710974819.db2.gz BQVNCNYQZMNJSQ-CBAPKCEASA-N 0 3 227.308 -0.103 20 0 BBADHN C[C@H](NC1CC1)C(=O)NC(C)(C)C(N)=O ZINC000382921115 367567005 /nfs/dbraw/zinc/56/70/05/367567005.db2.gz CGTHMCOGHPZBAS-LURJTMIESA-N 0 3 213.281 -0.493 20 0 BBADHN C[C@@H](NC1CC1)C(=O)NC(C)(C)C(N)=O ZINC000382921116 367567549 /nfs/dbraw/zinc/56/75/49/367567549.db2.gz CGTHMCOGHPZBAS-ZCFIWIBFSA-N 0 3 213.281 -0.493 20 0 BBADHN C[C@@H](NC1CC1)C(=O)N(C)CC(=O)NC1CC1 ZINC000382925245 351062974 /nfs/dbraw/zinc/06/29/74/351062974.db2.gz DFBICQGCYNGBFC-MRVPVSSYSA-N 0 3 239.319 -0.136 20 0 BBADHN C[C@H](NC1CC1)C(=O)N(C)CC(=O)NC1CC1 ZINC000382925249 351062679 /nfs/dbraw/zinc/06/26/79/351062679.db2.gz DFBICQGCYNGBFC-QMMMGPOBSA-N 0 3 239.319 -0.136 20 0 BBADHN C[C@@H](NC1CC1)C(=O)NCCCS(C)(=O)=O ZINC000382928813 367568717 /nfs/dbraw/zinc/56/87/17/367568717.db2.gz FCYJKPPNXGZTDO-MRVPVSSYSA-N 0 3 248.348 -0.322 20 0 BBADHN C[C@H](NC1CC1)C(=O)NCCCS(C)(=O)=O ZINC000382928814 367569257 /nfs/dbraw/zinc/56/92/57/367569257.db2.gz FCYJKPPNXGZTDO-QMMMGPOBSA-N 0 3 248.348 -0.322 20 0 BBADHN C[C@@H](NC1CC1)C(=O)N(C)CC(=O)N(C)C ZINC000382930028 367568999 /nfs/dbraw/zinc/56/89/99/367568999.db2.gz FMXPSJRPBLCYHQ-MRVPVSSYSA-N 0 3 227.308 -0.327 20 0 BBADHN C[C@H](NC1CC1)C(=O)N(C)CC(=O)N(C)C ZINC000382930029 367569242 /nfs/dbraw/zinc/56/92/42/367569242.db2.gz FMXPSJRPBLCYHQ-QMMMGPOBSA-N 0 3 227.308 -0.327 20 0 BBADHN C[C@@H](NC1CC1)C(=O)NCC(=O)N1CCCC1 ZINC000382933055 367569942 /nfs/dbraw/zinc/56/99/42/367569942.db2.gz GJYAZCFMNPUXDH-SECBINFHSA-N 0 3 239.319 -0.135 20 0 BBADHN C[C@H](NC1CC1)C(=O)NCC(=O)N1CCCC1 ZINC000382933056 347485398 /nfs/dbraw/zinc/48/53/98/347485398.db2.gz GJYAZCFMNPUXDH-VIFPVBQESA-N 0 3 239.319 -0.135 20 0 BBADHN C[C@@H](NC1CC1)C(=O)NCCCC(N)=O ZINC000382934616 367569981 /nfs/dbraw/zinc/56/99/81/367569981.db2.gz GVSXSWOVJDSBAG-SSDOTTSWSA-N 0 3 213.281 -0.491 20 0 BBADHN C[C@H](NC1CC1)C(=O)NCCCC(N)=O ZINC000382934617 367570122 /nfs/dbraw/zinc/57/01/22/367570122.db2.gz GVSXSWOVJDSBAG-ZETCQYMHSA-N 0 3 213.281 -0.491 20 0 BBADHN CC[C@@H]1C(=O)NCCN1C(=O)[C@@H](C)NC1CC1 ZINC000382935988 367570492 /nfs/dbraw/zinc/57/04/92/367570492.db2.gz HGOGPTZOVQAFGH-PSASIEDQSA-N 0 3 239.319 -0.136 20 0 BBADHN CC[C@H]1C(=O)NCCN1C(=O)[C@@H](C)NC1CC1 ZINC000382935989 367569963 /nfs/dbraw/zinc/56/99/63/367569963.db2.gz HGOGPTZOVQAFGH-SCZZXKLOSA-N 0 3 239.319 -0.136 20 0 BBADHN CC[C@@H]1C(=O)NCCN1C(=O)[C@H](C)NC1CC1 ZINC000382935990 367570262 /nfs/dbraw/zinc/57/02/62/367570262.db2.gz HGOGPTZOVQAFGH-WCBMZHEXSA-N 0 3 239.319 -0.136 20 0 BBADHN CC[C@H]1C(=O)NCCN1C(=O)[C@H](C)NC1CC1 ZINC000382935992 367569997 /nfs/dbraw/zinc/56/99/97/367569997.db2.gz HGOGPTZOVQAFGH-WPRPVWTQSA-N 0 3 239.319 -0.136 20 0 BBADHN C[C@@H](NC1CC1)C(=O)N1CCS(=O)(=O)CC1 ZINC000382939574 367572098 /nfs/dbraw/zinc/57/20/98/367572098.db2.gz IFGPKIBEKZXXAY-MRVPVSSYSA-N 0 3 246.332 -0.616 20 0 BBADHN C[C@H](NC1CC1)C(=O)N1CCS(=O)(=O)CC1 ZINC000382939579 367571956 /nfs/dbraw/zinc/57/19/56/367571956.db2.gz IFGPKIBEKZXXAY-QMMMGPOBSA-N 0 3 246.332 -0.616 20 0 BBADHN C[C@@H](NC1CC1)C(=O)NC(C)(C)CC(N)=O ZINC000382939842 367571990 /nfs/dbraw/zinc/57/19/90/367571990.db2.gz IHRRJINUAOVPBB-SSDOTTSWSA-N 0 3 227.308 -0.103 20 0 BBADHN C[C@H](NC1CC1)C(=O)NC(C)(C)CC(N)=O ZINC000382939844 367571766 /nfs/dbraw/zinc/57/17/66/367571766.db2.gz IHRRJINUAOVPBB-ZETCQYMHSA-N 0 3 227.308 -0.103 20 0 BBADHN CC(=O)NCCNC(=O)[C@@H](C)NC1CC1 ZINC000382939907 367571871 /nfs/dbraw/zinc/57/18/71/367571871.db2.gz IJKBKBFMKXHNOM-SSDOTTSWSA-N 0 3 213.281 -0.621 20 0 BBADHN CC(=O)NCCNC(=O)[C@H](C)NC1CC1 ZINC000382939909 367572092 /nfs/dbraw/zinc/57/20/92/367572092.db2.gz IJKBKBFMKXHNOM-ZETCQYMHSA-N 0 3 213.281 -0.621 20 0 BBADHN CCNC(=O)[C@@H](C)NC(=O)[C@@H](C)NC1CC1 ZINC000382939916 367571694 /nfs/dbraw/zinc/57/16/94/367571694.db2.gz IJKRSVULOXXBEU-HTQZYQBOSA-N 0 3 227.308 -0.232 20 0 BBADHN CCNC(=O)[C@H](C)NC(=O)[C@@H](C)NC1CC1 ZINC000382939917 367571793 /nfs/dbraw/zinc/57/17/93/367571793.db2.gz IJKRSVULOXXBEU-JGVFFNPUSA-N 0 3 227.308 -0.232 20 0 BBADHN CCNC(=O)[C@@H](C)NC(=O)[C@H](C)NC1CC1 ZINC000382939918 367571108 /nfs/dbraw/zinc/57/11/08/367571108.db2.gz IJKRSVULOXXBEU-SFYZADRCSA-N 0 3 227.308 -0.232 20 0 BBADHN CCNC(=O)[C@H](C)NC(=O)[C@H](C)NC1CC1 ZINC000382939919 367571822 /nfs/dbraw/zinc/57/18/22/367571822.db2.gz IJKRSVULOXXBEU-YUMQZZPRSA-N 0 3 227.308 -0.232 20 0 BBADHN CNC(=O)[C@H](C)CN(C)C(=O)[C@H](C)NC1CC1 ZINC000382943020 367571512 /nfs/dbraw/zinc/57/15/12/367571512.db2.gz JKGQIKMWDSYHSW-BDAKNGLRSA-N 0 3 241.335 -0.033 20 0 BBADHN CNC(=O)[C@@H](C)CN(C)C(=O)[C@@H](C)NC1CC1 ZINC000382943021 367571439 /nfs/dbraw/zinc/57/14/39/367571439.db2.gz JKGQIKMWDSYHSW-DTWKUNHWSA-N 0 3 241.335 -0.033 20 0 BBADHN CNC(=O)[C@@H](C)CN(C)C(=O)[C@H](C)NC1CC1 ZINC000382943022 367572104 /nfs/dbraw/zinc/57/21/04/367572104.db2.gz JKGQIKMWDSYHSW-IUCAKERBSA-N 0 3 241.335 -0.033 20 0 BBADHN CNC(=O)[C@H](C)CN(C)C(=O)[C@@H](C)NC1CC1 ZINC000382943023 367571879 /nfs/dbraw/zinc/57/18/79/367571879.db2.gz JKGQIKMWDSYHSW-RKDXNWHRSA-N 0 3 241.335 -0.033 20 0 BBADHN C[C@@H](NC1CC1)C(=O)N[C@@H]1CCC(=O)N(C)C1 ZINC000382945451 487564795 /nfs/dbraw/zinc/56/47/95/487564795.db2.gz KCHYQSPQNJHSBQ-PSASIEDQSA-N 0 3 239.319 -0.136 20 0 BBADHN C[C@@H](NC1CC1)C(=O)N[C@H]1CCC(=O)N(C)C1 ZINC000382945452 411404934 /nfs/dbraw/zinc/40/49/34/411404934.db2.gz KCHYQSPQNJHSBQ-SCZZXKLOSA-N 0 3 239.319 -0.136 20 0 BBADHN C[C@H](NC1CC1)C(=O)N[C@@H]1CCC(=O)N(C)C1 ZINC000382945454 411405182 /nfs/dbraw/zinc/40/51/82/411405182.db2.gz KCHYQSPQNJHSBQ-WCBMZHEXSA-N 0 3 239.319 -0.136 20 0 BBADHN C[C@H](NC1CC1)C(=O)N[C@H]1CCC(=O)N(C)C1 ZINC000382945458 351074169 /nfs/dbraw/zinc/07/41/69/351074169.db2.gz KCHYQSPQNJHSBQ-WPRPVWTQSA-N 0 3 239.319 -0.136 20 0 BBADHN C[C@@H](NC1CC1)C(=O)Nc1ccn(C)n1 ZINC000382947248 411829683 /nfs/dbraw/zinc/82/96/83/411829683.db2.gz KODJWHMKNBNLEQ-SSDOTTSWSA-N 0 3 208.265 0.499 20 0 BBADHN C[C@H](NC1CC1)C(=O)Nc1ccn(C)n1 ZINC000382947249 412237035 /nfs/dbraw/zinc/23/70/35/412237035.db2.gz KODJWHMKNBNLEQ-ZETCQYMHSA-N 0 3 208.265 0.499 20 0 BBADHN C[C@@H](NC(=O)[C@@H](C)NC1CC1)C(=O)N(C)C ZINC000382947993 367571374 /nfs/dbraw/zinc/57/13/74/367571374.db2.gz KUDUPJRBINUHLP-HTQZYQBOSA-N 0 3 227.308 -0.280 20 0 BBADHN C[C@@H](NC(=O)[C@H](C)NC1CC1)C(=O)N(C)C ZINC000382947995 367571466 /nfs/dbraw/zinc/57/14/66/367571466.db2.gz KUDUPJRBINUHLP-JGVFFNPUSA-N 0 3 227.308 -0.280 20 0 BBADHN C[C@@H](NC1CC1)C(=O)N[C@@H](C)C(=O)N(C)C ZINC000382948004 398206267 /nfs/dbraw/zinc/20/62/67/398206267.db2.gz KUDUPJRBINUHLP-SFYZADRCSA-N 0 3 227.308 -0.280 20 0 BBADHN C[C@H](NC(=O)[C@H](C)NC1CC1)C(=O)N(C)C ZINC000382948006 398206383 /nfs/dbraw/zinc/20/63/83/398206383.db2.gz KUDUPJRBINUHLP-YUMQZZPRSA-N 0 3 227.308 -0.280 20 0 BBADHN CCNC(=O)CNC(=O)[C@@H](C)NC1CC1 ZINC000382958688 711864577 /nfs/dbraw/zinc/86/45/77/711864577.db2.gz NUVVGSRCKGKYLM-SSDOTTSWSA-N 0 3 213.281 -0.621 20 0 BBADHN CCNC(=O)CNC(=O)[C@H](C)NC1CC1 ZINC000382958689 711864675 /nfs/dbraw/zinc/86/46/75/711864675.db2.gz NUVVGSRCKGKYLM-ZETCQYMHSA-N 0 3 213.281 -0.621 20 0 BBADHN C[C@@H](NC1CC1)C(=O)NCC(C)(C)C(N)=O ZINC000382960746 367573929 /nfs/dbraw/zinc/57/39/29/367573929.db2.gz OJYCUBBHGGKSFL-SSDOTTSWSA-N 0 3 227.308 -0.245 20 0 BBADHN C[C@H](NC1CC1)C(=O)NCC(C)(C)C(N)=O ZINC000382960747 367574003 /nfs/dbraw/zinc/57/40/03/367574003.db2.gz OJYCUBBHGGKSFL-ZETCQYMHSA-N 0 3 227.308 -0.245 20 0 BBADHN CCS(=O)(=O)CCNC(=O)[C@@H](C)NC1CC1 ZINC000382961816 711865798 /nfs/dbraw/zinc/86/57/98/711865798.db2.gz OUFWWTLNXKKSSX-MRVPVSSYSA-N 0 3 248.348 -0.322 20 0 BBADHN CCS(=O)(=O)CCNC(=O)[C@H](C)NC1CC1 ZINC000382961817 711865827 /nfs/dbraw/zinc/86/58/27/711865827.db2.gz OUFWWTLNXKKSSX-QMMMGPOBSA-N 0 3 248.348 -0.322 20 0 BBADHN C[C@@H](NC1CC1)C(=O)N(C)CCS(C)(=O)=O ZINC000382964463 711865962 /nfs/dbraw/zinc/86/59/62/711865962.db2.gz PPVJYAIUDIYOTB-MRVPVSSYSA-N 0 3 248.348 -0.370 20 0 BBADHN C[C@H](NC1CC1)C(=O)N(C)CCS(C)(=O)=O ZINC000382964464 711865940 /nfs/dbraw/zinc/86/59/40/711865940.db2.gz PPVJYAIUDIYOTB-QMMMGPOBSA-N 0 3 248.348 -0.370 20 0 BBADHN C[C@@H](NC1CC1)C(=O)NCC(=O)N(C)C ZINC000382972612 367576384 /nfs/dbraw/zinc/57/63/84/367576384.db2.gz RPOJSRFTQDMWJY-SSDOTTSWSA-N 0 3 213.281 -0.669 20 0 BBADHN C[C@H](NC1CC1)C(=O)NCC(=O)N(C)C ZINC000382972613 367576675 /nfs/dbraw/zinc/57/66/75/367576675.db2.gz RPOJSRFTQDMWJY-ZETCQYMHSA-N 0 3 213.281 -0.669 20 0 BBADHN CCN(C)C(=O)CNC(=O)[C@@H](C)NC1CC1 ZINC000382973893 367576244 /nfs/dbraw/zinc/57/62/44/367576244.db2.gz RZIZVBDBYGOLCL-MRVPVSSYSA-N 0 3 227.308 -0.279 20 0 BBADHN CCN(C)C(=O)CNC(=O)[C@H](C)NC1CC1 ZINC000382973895 367576967 /nfs/dbraw/zinc/57/69/67/367576967.db2.gz RZIZVBDBYGOLCL-QMMMGPOBSA-N 0 3 227.308 -0.279 20 0 BBADHN CCNC(=O)CN(C)C(=O)[C@@H](C)NC1CC1 ZINC000382975933 711877021 /nfs/dbraw/zinc/87/70/21/711877021.db2.gz SKPUJYXDOFTAFH-MRVPVSSYSA-N 0 3 227.308 -0.279 20 0 BBADHN CCNC(=O)CN(C)C(=O)[C@H](C)NC1CC1 ZINC000382975936 711877064 /nfs/dbraw/zinc/87/70/64/711877064.db2.gz SKPUJYXDOFTAFH-QMMMGPOBSA-N 0 3 227.308 -0.279 20 0 BBADHN CCN(CC(=O)NC)C(=O)[C@@H](C)NC1CC1 ZINC000382983092 710976556 /nfs/dbraw/zinc/97/65/56/710976556.db2.gz UXKSGIQJMIZOTA-MRVPVSSYSA-N 0 3 227.308 -0.279 20 0 BBADHN CCN(CC(=O)NC)C(=O)[C@H](C)NC1CC1 ZINC000382983093 710975607 /nfs/dbraw/zinc/97/56/07/710975607.db2.gz UXKSGIQJMIZOTA-QMMMGPOBSA-N 0 3 227.308 -0.279 20 0 BBADHN C[C@H](NC1CC1)C(=O)NCCN1CCOCC1 ZINC000382986133 351121291 /nfs/dbraw/zinc/12/12/91/351121291.db2.gz WBDYTKHIKKBAMQ-JTQLQIEISA-N 0 3 241.335 -0.425 20 0 BBADHN C[C@@H](NC1CC1)C(=O)NCCN1CCOCC1 ZINC000382986134 351121142 /nfs/dbraw/zinc/12/11/42/351121142.db2.gz WBDYTKHIKKBAMQ-SNVBAGLBSA-N 0 3 241.335 -0.425 20 0 BBADHN C[C@@H](NC1CC1)C(=O)N1CCC[C@H](C(N)=O)C1 ZINC000382986406 367581852 /nfs/dbraw/zinc/58/18/52/367581852.db2.gz WDIFFPKMRHVHEX-BDAKNGLRSA-N 0 3 239.319 -0.149 20 0 BBADHN C[C@H](NC1CC1)C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000382986407 367581751 /nfs/dbraw/zinc/58/17/51/367581751.db2.gz WDIFFPKMRHVHEX-DTWKUNHWSA-N 0 3 239.319 -0.149 20 0 BBADHN C[C@H](NC1CC1)C(=O)N1CCC[C@H](C(N)=O)C1 ZINC000382986408 367581963 /nfs/dbraw/zinc/58/19/63/367581963.db2.gz WDIFFPKMRHVHEX-IUCAKERBSA-N 0 3 239.319 -0.149 20 0 BBADHN C[C@@H](NC1CC1)C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000382986409 347522529 /nfs/dbraw/zinc/52/25/29/347522529.db2.gz WDIFFPKMRHVHEX-RKDXNWHRSA-N 0 3 239.319 -0.149 20 0 BBADHN CC(C)NC(=O)CNC(=O)[C@@H](C)NC1CC1 ZINC000382987331 385817202 /nfs/dbraw/zinc/81/72/02/385817202.db2.gz WPZFPDFHHLIZEB-MRVPVSSYSA-N 0 3 227.308 -0.232 20 0 BBADHN CC(C)NC(=O)CNC(=O)[C@H](C)NC1CC1 ZINC000382987332 385817938 /nfs/dbraw/zinc/81/79/38/385817938.db2.gz WPZFPDFHHLIZEB-QMMMGPOBSA-N 0 3 227.308 -0.232 20 0 BBADHN CNC(=O)CCN(C)C(=O)[C@@H](C)NC1CC1 ZINC000382988122 367581522 /nfs/dbraw/zinc/58/15/22/367581522.db2.gz WYRIMFIRIPSQDT-MRVPVSSYSA-N 0 3 227.308 -0.279 20 0 BBADHN CNC(=O)CCN(C)C(=O)[C@H](C)NC1CC1 ZINC000382988123 367581903 /nfs/dbraw/zinc/58/19/03/367581903.db2.gz WYRIMFIRIPSQDT-QMMMGPOBSA-N 0 3 227.308 -0.279 20 0 BBADHN C[C@@H](NC1CC1)C(=O)NC[C@@H]1COCCO1 ZINC000382989072 367581574 /nfs/dbraw/zinc/58/15/74/367581574.db2.gz XKUSCNTWGXEXHH-PSASIEDQSA-N 0 3 228.292 -0.342 20 0 BBADHN C[C@@H](NC1CC1)C(=O)NC[C@H]1COCCO1 ZINC000382989074 367581243 /nfs/dbraw/zinc/58/12/43/367581243.db2.gz XKUSCNTWGXEXHH-SCZZXKLOSA-N 0 3 228.292 -0.342 20 0 BBADHN C[C@H](NC1CC1)C(=O)NC[C@@H]1COCCO1 ZINC000382989075 347524205 /nfs/dbraw/zinc/52/42/05/347524205.db2.gz XKUSCNTWGXEXHH-WCBMZHEXSA-N 0 3 228.292 -0.342 20 0 BBADHN C[C@H](NC1CC1)C(=O)NC[C@H]1COCCO1 ZINC000382989076 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-0.123 20 0 BBADHN CNS(=O)(=O)CCN[C@@H]1CSC[C@@H]1C ZINC000388886355 363530215 /nfs/dbraw/zinc/53/02/15/363530215.db2.gz KCOSHMFGVFAOHD-JGVFFNPUSA-N 0 3 238.378 -0.123 20 0 BBADHN CNS(=O)(=O)CCN[C@H]1CSC[C@H]1C ZINC000388886356 355319746 /nfs/dbraw/zinc/31/97/46/355319746.db2.gz KCOSHMFGVFAOHD-SFYZADRCSA-N 0 3 238.378 -0.123 20 0 BBADHN CNS(=O)(=O)CCN[C@H]1CSC[C@@H]1C ZINC000388886357 363529919 /nfs/dbraw/zinc/52/99/19/363529919.db2.gz KCOSHMFGVFAOHD-YUMQZZPRSA-N 0 3 238.378 -0.123 20 0 BBADHN COC(=O)[C@@H](O)CNCC1(O)CCC1 ZINC000388956941 368967298 /nfs/dbraw/zinc/96/72/98/368967298.db2.gz COKBRBVJCOSOGQ-ZETCQYMHSA-N 0 3 203.238 -0.975 20 0 BBADHN CCCN1CC[C@@H](Nc2ccc3nnnn3n2)C1 ZINC000389268367 488086443 /nfs/dbraw/zinc/08/64/43/488086443.db2.gz QJWAXTBXAXVTKX-SECBINFHSA-N 0 3 247.306 -0.163 20 0 BBADHN CCCN1CC[C@H](Nc2ccc3nnnn3n2)C1 ZINC000389268368 488086138 /nfs/dbraw/zinc/08/61/38/488086138.db2.gz QJWAXTBXAXVTKX-VIFPVBQESA-N 0 3 247.306 -0.163 20 0 BBADHN Cn1ncnc1CN[C@@H]1CCCN(C)C1 ZINC000389336980 398076275 /nfs/dbraw/zinc/07/62/75/398076275.db2.gz YKPIRBGWGFWYTH-SECBINFHSA-N 0 3 209.297 -0.001 20 0 BBADHN Cn1ncnc1CN[C@H]1CCCN(C)C1 ZINC000389336982 398076345 /nfs/dbraw/zinc/07/63/45/398076345.db2.gz YKPIRBGWGFWYTH-VIFPVBQESA-N 0 3 209.297 -0.001 20 0 BBADHN C[C@](O)(CNC(CO)CO)C(F)(F)F ZINC000389359983 351608223 /nfs/dbraw/zinc/60/82/23/351608223.db2.gz RVRZYOUQRRPUDK-LURJTMIESA-N 0 3 217.187 -0.758 20 0 BBADHN C[C@@](O)(CNC(CO)CO)C(F)(F)F ZINC000389359984 355982717 /nfs/dbraw/zinc/98/27/17/355982717.db2.gz RVRZYOUQRRPUDK-ZCFIWIBFSA-N 0 3 217.187 -0.758 20 0 BBADHN CC[C@H](C)[C@H](N)C(=O)NCc1nnnn1C ZINC000389386120 344534579 /nfs/dbraw/zinc/53/45/79/344534579.db2.gz FGBMJSPHAFBKRE-XPUUQOCRSA-N 0 3 226.284 -0.800 20 0 BBADHN CCC[C@@](C)(N)C(=O)NCc1nnnn1C ZINC000389404367 356490264 /nfs/dbraw/zinc/49/02/64/356490264.db2.gz KDOKYSMVUPGMNU-SECBINFHSA-N 0 3 226.284 -0.656 20 0 BBADHN CCC[C@](C)(N)C(=O)NCc1nnnn1C ZINC000389404372 346053521 /nfs/dbraw/zinc/05/35/21/346053521.db2.gz KDOKYSMVUPGMNU-VIFPVBQESA-N 0 3 226.284 -0.656 20 0 BBADHN Cc1nc(N)nc(NC[C@H](C)N(C)C)n1 ZINC000389404574 398324795 /nfs/dbraw/zinc/32/47/95/398324795.db2.gz KHGZMUSAANVLQV-LURJTMIESA-N 0 3 210.285 -0.624 20 0 BBADHN Cc1nc(N)nc(NC[C@@H](C)N(C)C)n1 ZINC000389404575 398081669 /nfs/dbraw/zinc/08/16/69/398081669.db2.gz KHGZMUSAANVLQV-ZCFIWIBFSA-N 0 3 210.285 -0.624 20 0 BBADHN CC(C)C[C@@H](N)C(=O)NCc1nnnn1C ZINC000389414460 711078169 /nfs/dbraw/zinc/07/81/69/711078169.db2.gz SRJPJAVEVSZAMK-SSDOTTSWSA-N 0 3 226.284 -0.800 20 0 BBADHN CC(C)C[C@H](N)C(=O)NCc1nnnn1C ZINC000389414461 711078681 /nfs/dbraw/zinc/07/86/81/711078681.db2.gz SRJPJAVEVSZAMK-ZETCQYMHSA-N 0 3 226.284 -0.800 20 0 BBADHN CCC[C@H](NC(=O)CNC(C)C)C(N)=O ZINC000389440658 398093195 /nfs/dbraw/zinc/09/31/95/398093195.db2.gz HSEDELBBDRKORY-QMMMGPOBSA-N 0 3 215.297 -0.245 20 0 BBADHN C[C@@H]1COCCCN1CCCS(N)(=O)=O ZINC000389585310 537997663 /nfs/dbraw/zinc/99/76/63/537997663.db2.gz LSFNOFGRMJJCRP-SECBINFHSA-N 0 3 236.337 -0.224 20 0 BBADHN C[C@H]1COCCCN1CCCS(N)(=O)=O ZINC000389585323 537906071 /nfs/dbraw/zinc/90/60/71/537906071.db2.gz LSFNOFGRMJJCRP-VIFPVBQESA-N 0 3 236.337 -0.224 20 0 BBADHN NCC(=O)NCCOC[C@H]1CCCO1 ZINC000389597501 357000847 /nfs/dbraw/zinc/00/08/47/357000847.db2.gz QUZOMKWNJFAHTC-MRVPVSSYSA-N 0 3 202.254 -0.743 20 0 BBADHN NCC(=O)NCCOC[C@@H]1CCCO1 ZINC000389597517 357001340 /nfs/dbraw/zinc/00/13/40/357001340.db2.gz QUZOMKWNJFAHTC-QMMMGPOBSA-N 0 3 202.254 -0.743 20 0 BBADHN CN(Cc1cn[nH]c1)C[C@@H]1CNCCO1 ZINC000389600759 488102022 /nfs/dbraw/zinc/10/20/22/488102022.db2.gz UGWCJKMBQNZTIH-JTQLQIEISA-N 0 3 210.281 -0.170 20 0 BBADHN CN(Cc1cn[nH]c1)C[C@H]1CNCCO1 ZINC000389600760 488102315 /nfs/dbraw/zinc/10/23/15/488102315.db2.gz UGWCJKMBQNZTIH-SNVBAGLBSA-N 0 3 210.281 -0.170 20 0 BBADHN C[C@@H](NCc1cnc[nH]1)C(=O)NCCF ZINC000389613707 711082713 /nfs/dbraw/zinc/08/27/13/711082713.db2.gz FMCYOISDGXZYQB-SSDOTTSWSA-N 0 3 214.244 -0.027 20 0 BBADHN C[C@H](NCc1cnc[nH]1)C(=O)NCCF ZINC000389613708 711082527 /nfs/dbraw/zinc/08/25/27/711082527.db2.gz FMCYOISDGXZYQB-ZETCQYMHSA-N 0 3 214.244 -0.027 20 0 BBADHN CCCN1CC[C@@H](NS(N)(=O)=O)C1 ZINC000389677358 488105557 /nfs/dbraw/zinc/10/55/57/488105557.db2.gz GNBYBRSEAPBUSR-SSDOTTSWSA-N 0 3 207.299 -0.736 20 0 BBADHN CCCN1CC[C@H](NS(N)(=O)=O)C1 ZINC000389677361 488105892 /nfs/dbraw/zinc/10/58/92/488105892.db2.gz GNBYBRSEAPBUSR-ZETCQYMHSA-N 0 3 207.299 -0.736 20 0 BBADHN CCN1CC[C@@H](NC(=O)c2cnn(C)c2N)C1 ZINC000389702703 711086290 /nfs/dbraw/zinc/08/62/90/711086290.db2.gz CNEOLUJTXQXTDH-MRVPVSSYSA-N 0 3 237.307 -0.174 20 0 BBADHN CCN1CC[C@H](NC(=O)c2cnn(C)c2N)C1 ZINC000389702705 711086307 /nfs/dbraw/zinc/08/63/07/711086307.db2.gz CNEOLUJTXQXTDH-QMMMGPOBSA-N 0 3 237.307 -0.174 20 0 BBADHN COCCN(C)C[C@@H](O)CSCC(N)=O ZINC000389711412 357017986 /nfs/dbraw/zinc/01/79/86/357017986.db2.gz MLAMUUKACVKFHY-MRVPVSSYSA-N 0 3 236.337 -0.856 20 0 BBADHN COCCN(C)C[C@H](O)CSCC(N)=O ZINC000389711416 357018203 /nfs/dbraw/zinc/01/82/03/357018203.db2.gz MLAMUUKACVKFHY-QMMMGPOBSA-N 0 3 236.337 -0.856 20 0 BBADHN CCOC[C@@H](O)CN[C@@H]1CC(=O)N(C)C1 ZINC000389720702 357019439 /nfs/dbraw/zinc/01/94/39/357019439.db2.gz PHAOPCFJSLTIQQ-BDAKNGLRSA-N 0 3 216.281 -0.796 20 0 BBADHN CCOC[C@H](O)CN[C@H]1CC(=O)N(C)C1 ZINC000389720703 357019293 /nfs/dbraw/zinc/01/92/93/357019293.db2.gz PHAOPCFJSLTIQQ-DTWKUNHWSA-N 0 3 216.281 -0.796 20 0 BBADHN CCOC[C@@H](O)CN[C@H]1CC(=O)N(C)C1 ZINC000389720704 357019371 /nfs/dbraw/zinc/01/93/71/357019371.db2.gz PHAOPCFJSLTIQQ-IUCAKERBSA-N 0 3 216.281 -0.796 20 0 BBADHN CCOC[C@H](O)CN[C@@H]1CC(=O)N(C)C1 ZINC000389720705 357019591 /nfs/dbraw/zinc/01/95/91/357019591.db2.gz PHAOPCFJSLTIQQ-RKDXNWHRSA-N 0 3 216.281 -0.796 20 0 BBADHN C[C@H]1CC[NH2+]C[C@@H]1NC(=O)c1cn[n-]n1 ZINC000389754982 352557801 /nfs/dbraw/zinc/55/78/01/352557801.db2.gz OSHKXNACMHDHDS-BQBZGAKWSA-N 0 3 209.253 -0.468 20 0 BBADHN C[C@H]1CC[NH2+]C[C@@H]1NC(=O)c1cnn[n-]1 ZINC000389754982 352557798 /nfs/dbraw/zinc/55/77/98/352557798.db2.gz OSHKXNACMHDHDS-BQBZGAKWSA-N 0 3 209.253 -0.468 20 0 BBADHN C[C@H]1CC[NH2+]C[C@@H]1NC(=O)c1c[n-]nn1 ZINC000389754982 352557797 /nfs/dbraw/zinc/55/77/97/352557797.db2.gz OSHKXNACMHDHDS-BQBZGAKWSA-N 0 3 209.253 -0.468 20 0 BBADHN C[C@H]1CC[NH2+]C[C@H]1NC(=O)c1cn[n-]n1 ZINC000389754983 352558113 /nfs/dbraw/zinc/55/81/13/352558113.db2.gz OSHKXNACMHDHDS-NKWVEPMBSA-N 0 3 209.253 -0.468 20 0 BBADHN C[C@H]1CC[NH2+]C[C@H]1NC(=O)c1cnn[n-]1 ZINC000389754983 352558108 /nfs/dbraw/zinc/55/81/08/352558108.db2.gz OSHKXNACMHDHDS-NKWVEPMBSA-N 0 3 209.253 -0.468 20 0 BBADHN C[C@H]1CC[NH2+]C[C@H]1NC(=O)c1c[n-]nn1 ZINC000389754983 352558104 /nfs/dbraw/zinc/55/81/04/352558104.db2.gz OSHKXNACMHDHDS-NKWVEPMBSA-N 0 3 209.253 -0.468 20 0 BBADHN C[C@@H]1CC[NH2+]C[C@H]1NC(=O)c1cn[n-]n1 ZINC000389754984 357026532 /nfs/dbraw/zinc/02/65/32/357026532.db2.gz OSHKXNACMHDHDS-RNFRBKRXSA-N 0 3 209.253 -0.468 20 0 BBADHN C[C@@H]1CC[NH2+]C[C@H]1NC(=O)c1cnn[n-]1 ZINC000389754984 357026530 /nfs/dbraw/zinc/02/65/30/357026530.db2.gz OSHKXNACMHDHDS-RNFRBKRXSA-N 0 3 209.253 -0.468 20 0 BBADHN C[C@@H]1CC[NH2+]C[C@H]1NC(=O)c1c[n-]nn1 ZINC000389754984 357026528 /nfs/dbraw/zinc/02/65/28/357026528.db2.gz OSHKXNACMHDHDS-RNFRBKRXSA-N 0 3 209.253 -0.468 20 0 BBADHN C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)c1cn[n-]n1 ZINC000389754985 357026716 /nfs/dbraw/zinc/02/67/16/357026716.db2.gz OSHKXNACMHDHDS-RQJHMYQMSA-N 0 3 209.253 -0.468 20 0 BBADHN C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)c1cnn[n-]1 ZINC000389754985 357026713 /nfs/dbraw/zinc/02/67/13/357026713.db2.gz OSHKXNACMHDHDS-RQJHMYQMSA-N 0 3 209.253 -0.468 20 0 BBADHN C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)c1c[n-]nn1 ZINC000389754985 357026711 /nfs/dbraw/zinc/02/67/11/357026711.db2.gz OSHKXNACMHDHDS-RQJHMYQMSA-N 0 3 209.253 -0.468 20 0 BBADHN CO[C@@H]1CN[C@@H](C(=O)Nc2ccnn2C)C1 ZINC000389794648 357035231 /nfs/dbraw/zinc/03/52/31/357035231.db2.gz SPFXIQDRNOVVLN-JGVFFNPUSA-N 0 3 224.264 -0.265 20 0 BBADHN CCCN1CC[C@@H](NC(=O)[C@H]2CNCCO2)C1 ZINC000389814555 488113102 /nfs/dbraw/zinc/11/31/02/488113102.db2.gz RLZOQRSDOMEHDG-GHMZBOCLSA-N 0 3 241.335 -0.425 20 0 BBADHN CCCN1CC[C@@H](NC(=O)[C@@H]2CNCCO2)C1 ZINC000389814556 488113157 /nfs/dbraw/zinc/11/31/57/488113157.db2.gz RLZOQRSDOMEHDG-MNOVXSKESA-N 0 3 241.335 -0.425 20 0 BBADHN CCCN1CC[C@H](NC(=O)[C@@H]2CNCCO2)C1 ZINC000389814557 488113288 /nfs/dbraw/zinc/11/32/88/488113288.db2.gz RLZOQRSDOMEHDG-QWRGUYRKSA-N 0 3 241.335 -0.425 20 0 BBADHN CCCN1CC[C@H](NC(=O)[C@H]2CNCCO2)C1 ZINC000389814558 488113178 /nfs/dbraw/zinc/11/31/78/488113178.db2.gz RLZOQRSDOMEHDG-WDEREUQCSA-N 0 3 241.335 -0.425 20 0 BBADHN C[C@H](C[C@@H]1COCCN1)NCc1cn(C)nn1 ZINC000389817173 488112936 /nfs/dbraw/zinc/11/29/36/488112936.db2.gz SIYVINJVJZZUAJ-NXEZZACHSA-N 0 3 239.323 -0.328 20 0 BBADHN C[C@@H](C[C@H]1COCCN1)NCc1cn(C)nn1 ZINC000389817174 488112919 /nfs/dbraw/zinc/11/29/19/488112919.db2.gz SIYVINJVJZZUAJ-UWVGGRQHSA-N 0 3 239.323 -0.328 20 0 BBADHN C[C@@H](C[C@@H]1COCCN1)NCc1cn(C)nn1 ZINC000389817175 488113305 /nfs/dbraw/zinc/11/33/05/488113305.db2.gz SIYVINJVJZZUAJ-VHSXEESVSA-N 0 3 239.323 -0.328 20 0 BBADHN C[C@H](C[C@H]1COCCN1)NCc1cn(C)nn1 ZINC000389817176 488113206 /nfs/dbraw/zinc/11/32/06/488113206.db2.gz SIYVINJVJZZUAJ-ZJUUUORDSA-N 0 3 239.323 -0.328 20 0 BBADHN CC(C)C[C@@H](N)C(=O)NCc1cn(C)nn1 ZINC000389834539 488116595 /nfs/dbraw/zinc/11/65/95/488116595.db2.gz CQFWQGZGGNWUML-SECBINFHSA-N 0 3 225.296 -0.195 20 0 BBADHN CC(C)C[C@H](N)C(=O)NCc1cn(C)nn1 ZINC000389834541 488116614 /nfs/dbraw/zinc/11/66/14/488116614.db2.gz CQFWQGZGGNWUML-VIFPVBQESA-N 0 3 225.296 -0.195 20 0 BBADHN CC[C@@H](C)[C@H](N)C(=O)NCc1cn(C)nn1 ZINC000389845264 488117897 /nfs/dbraw/zinc/11/78/97/488117897.db2.gz NCOAKDUHKVTKNV-APPZFPTMSA-N 0 3 225.296 -0.195 20 0 BBADHN CC[C@H](C)[C@H](N)C(=O)NCc1cn(C)nn1 ZINC000389845265 488117746 /nfs/dbraw/zinc/11/77/46/488117746.db2.gz NCOAKDUHKVTKNV-CBAPKCEASA-N 0 3 225.296 -0.195 20 0 BBADHN CCC[C@](C)(N)C(=O)NCc1cn(C)nn1 ZINC000389851522 488118480 /nfs/dbraw/zinc/11/84/80/488118480.db2.gz VSPHGLSNJFOXOO-JTQLQIEISA-N 0 3 225.296 -0.051 20 0 BBADHN CCC[C@@](C)(N)C(=O)NCc1cn(C)nn1 ZINC000389851523 488118556 /nfs/dbraw/zinc/11/85/56/488118556.db2.gz VSPHGLSNJFOXOO-SNVBAGLBSA-N 0 3 225.296 -0.051 20 0 BBADHN C[C@H]1C[NH2+]CC[C@@H]1NC(=O)c1cn[n-]n1 ZINC000389855672 357054995 /nfs/dbraw/zinc/05/49/95/357054995.db2.gz ZYVKKTLGTJYTST-BQBZGAKWSA-N 0 3 209.253 -0.468 20 0 BBADHN C[C@H]1C[NH2+]CC[C@@H]1NC(=O)c1cnn[n-]1 ZINC000389855672 357054992 /nfs/dbraw/zinc/05/49/92/357054992.db2.gz ZYVKKTLGTJYTST-BQBZGAKWSA-N 0 3 209.253 -0.468 20 0 BBADHN C[C@H]1C[NH2+]CC[C@@H]1NC(=O)c1c[n-]nn1 ZINC000389855672 357054988 /nfs/dbraw/zinc/05/49/88/357054988.db2.gz ZYVKKTLGTJYTST-BQBZGAKWSA-N 0 3 209.253 -0.468 20 0 BBADHN C[C@H]1C[NH2+]CC[C@H]1NC(=O)c1cn[n-]n1 ZINC000389855674 357054913 /nfs/dbraw/zinc/05/49/13/357054913.db2.gz ZYVKKTLGTJYTST-NKWVEPMBSA-N 0 3 209.253 -0.468 20 0 BBADHN C[C@H]1C[NH2+]CC[C@H]1NC(=O)c1cnn[n-]1 ZINC000389855674 357054910 /nfs/dbraw/zinc/05/49/10/357054910.db2.gz ZYVKKTLGTJYTST-NKWVEPMBSA-N 0 3 209.253 -0.468 20 0 BBADHN C[C@H]1C[NH2+]CC[C@H]1NC(=O)c1c[n-]nn1 ZINC000389855674 357054906 /nfs/dbraw/zinc/05/49/06/357054906.db2.gz ZYVKKTLGTJYTST-NKWVEPMBSA-N 0 3 209.253 -0.468 20 0 BBADHN C[C@@H]1C[NH2+]CC[C@H]1NC(=O)c1cn[n-]n1 ZINC000389855676 357054893 /nfs/dbraw/zinc/05/48/93/357054893.db2.gz ZYVKKTLGTJYTST-RNFRBKRXSA-N 0 3 209.253 -0.468 20 0 BBADHN C[C@@H]1C[NH2+]CC[C@H]1NC(=O)c1cnn[n-]1 ZINC000389855676 357054890 /nfs/dbraw/zinc/05/48/90/357054890.db2.gz ZYVKKTLGTJYTST-RNFRBKRXSA-N 0 3 209.253 -0.468 20 0 BBADHN C[C@@H]1C[NH2+]CC[C@H]1NC(=O)c1c[n-]nn1 ZINC000389855676 357054887 /nfs/dbraw/zinc/05/48/87/357054887.db2.gz ZYVKKTLGTJYTST-RNFRBKRXSA-N 0 3 209.253 -0.468 20 0 BBADHN C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)c1cn[n-]n1 ZINC000389855678 357054929 /nfs/dbraw/zinc/05/49/29/357054929.db2.gz ZYVKKTLGTJYTST-RQJHMYQMSA-N 0 3 209.253 -0.468 20 0 BBADHN C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)c1cnn[n-]1 ZINC000389855678 357054927 /nfs/dbraw/zinc/05/49/27/357054927.db2.gz ZYVKKTLGTJYTST-RQJHMYQMSA-N 0 3 209.253 -0.468 20 0 BBADHN C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)c1c[n-]nn1 ZINC000389855678 357054923 /nfs/dbraw/zinc/05/49/23/357054923.db2.gz ZYVKKTLGTJYTST-RQJHMYQMSA-N 0 3 209.253 -0.468 20 0 BBADHN O=C(N[C@@H]1CC12CC[NH2+]CC2)c1cn[n-]n1 ZINC000389865170 398143196 /nfs/dbraw/zinc/14/31/96/398143196.db2.gz YLWJACPWTHBDBQ-MRVPVSSYSA-N 0 3 221.264 -0.323 20 0 BBADHN O=C(N[C@@H]1CC12CC[NH2+]CC2)c1cnn[n-]1 ZINC000389865170 398143193 /nfs/dbraw/zinc/14/31/93/398143193.db2.gz YLWJACPWTHBDBQ-MRVPVSSYSA-N 0 3 221.264 -0.323 20 0 BBADHN O=C(N[C@@H]1CC12CC[NH2+]CC2)c1c[n-]nn1 ZINC000389865170 398143192 /nfs/dbraw/zinc/14/31/92/398143192.db2.gz YLWJACPWTHBDBQ-MRVPVSSYSA-N 0 3 221.264 -0.323 20 0 BBADHN O=C(N[C@H]1CC12CC[NH2+]CC2)c1cn[n-]n1 ZINC000389865172 398143184 /nfs/dbraw/zinc/14/31/84/398143184.db2.gz YLWJACPWTHBDBQ-QMMMGPOBSA-N 0 3 221.264 -0.323 20 0 BBADHN O=C(N[C@H]1CC12CC[NH2+]CC2)c1cnn[n-]1 ZINC000389865172 398143182 /nfs/dbraw/zinc/14/31/82/398143182.db2.gz YLWJACPWTHBDBQ-QMMMGPOBSA-N 0 3 221.264 -0.323 20 0 BBADHN O=C(N[C@H]1CC12CC[NH2+]CC2)c1c[n-]nn1 ZINC000389865172 398143179 /nfs/dbraw/zinc/14/31/79/398143179.db2.gz YLWJACPWTHBDBQ-QMMMGPOBSA-N 0 3 221.264 -0.323 20 0 BBADHN CCCN1CC[C@@H](NC(=O)CNCCOC)C1 ZINC000389884600 487844695 /nfs/dbraw/zinc/84/46/95/487844695.db2.gz LHFIAZRGIRSIMQ-LLVKDONJSA-N 0 3 243.351 -0.177 20 0 BBADHN CCCN1CC[C@H](NC(=O)CNCCOC)C1 ZINC000389884708 488121877 /nfs/dbraw/zinc/12/18/77/488121877.db2.gz LHFIAZRGIRSIMQ-NSHDSACASA-N 0 3 243.351 -0.177 20 0 BBADHN Cn1cc(CNC(=O)[C@@H](N)C(C)(C)C)nn1 ZINC000389887738 488121957 /nfs/dbraw/zinc/12/19/57/488121957.db2.gz STSZACMQMDRLDX-MRVPVSSYSA-N 0 3 225.296 -0.195 20 0 BBADHN CC[C@@]1(NCC(=O)NC(N)=O)CCOC1 ZINC000389895426 351045722 /nfs/dbraw/zinc/04/57/22/351045722.db2.gz YPSUNOAITQYUAT-SECBINFHSA-N 0 3 215.253 -0.660 20 0 BBADHN CC[C@]1(NCC(=O)NC(N)=O)CCOC1 ZINC000389895427 351045586 /nfs/dbraw/zinc/04/55/86/351045586.db2.gz YPSUNOAITQYUAT-VIFPVBQESA-N 0 3 215.253 -0.660 20 0 BBADHN C[C@@H]1CCN[C@@H](C(=O)NCc2cn(C)nn2)C1 ZINC000389897963 488122706 /nfs/dbraw/zinc/12/27/06/488122706.db2.gz BCYYZCINCNTZCQ-PSASIEDQSA-N 0 3 237.307 -0.181 20 0 BBADHN C[C@@H]1CCN[C@H](C(=O)NCc2cn(C)nn2)C1 ZINC000389897964 488122714 /nfs/dbraw/zinc/12/27/14/488122714.db2.gz BCYYZCINCNTZCQ-SCZZXKLOSA-N 0 3 237.307 -0.181 20 0 BBADHN C[C@H]1CCN[C@@H](C(=O)NCc2cn(C)nn2)C1 ZINC000389897965 488122753 /nfs/dbraw/zinc/12/27/53/488122753.db2.gz BCYYZCINCNTZCQ-WCBMZHEXSA-N 0 3 237.307 -0.181 20 0 BBADHN C[C@H]1CCN[C@H](C(=O)NCc2cn(C)nn2)C1 ZINC000389897966 488122840 /nfs/dbraw/zinc/12/28/40/488122840.db2.gz BCYYZCINCNTZCQ-WPRPVWTQSA-N 0 3 237.307 -0.181 20 0 BBADHN O=C(CCNC1CSC1)N1CCOCC1 ZINC000389899097 539018312 /nfs/dbraw/zinc/01/83/12/539018312.db2.gz BQIUBEFMZBAARD-UHFFFAOYSA-N 0 3 230.333 -0.060 20 0 BBADHN CC(C)CN(C)S(=O)(=O)NC1CNC1 ZINC000389902591 351051381 /nfs/dbraw/zinc/05/13/81/351051381.db2.gz FAHCTCIHIMRDKN-UHFFFAOYSA-N 0 3 221.326 -0.620 20 0 BBADHN CN(CCO)CCNc1ccc(Cl)nn1 ZINC000389965615 711100954 /nfs/dbraw/zinc/10/09/54/711100954.db2.gz XIKNHFGKGXRVRT-UHFFFAOYSA-N 0 3 230.699 -0.112 20 0 BBADHN CCN1CC[C@@H](NC(=O)[C@@H]2CCC(=O)NC2)C1 ZINC000389965909 711101029 /nfs/dbraw/zinc/10/10/29/711101029.db2.gz GRPKEMFLEKJMTH-NXEZZACHSA-N 0 3 239.319 -0.277 20 0 BBADHN CCN1CC[C@H](NC(=O)[C@H]2CCC(=O)NC2)C1 ZINC000389965910 711101240 /nfs/dbraw/zinc/10/12/40/711101240.db2.gz GRPKEMFLEKJMTH-UWVGGRQHSA-N 0 3 239.319 -0.277 20 0 BBADHN CCN1CC[C@@H](NC(=O)[C@H]2CCC(=O)NC2)C1 ZINC000389965911 711100995 /nfs/dbraw/zinc/10/09/95/711100995.db2.gz GRPKEMFLEKJMTH-VHSXEESVSA-N 0 3 239.319 -0.277 20 0 BBADHN CCN1CC[C@H](NC(=O)[C@@H]2CCC(=O)NC2)C1 ZINC000389965912 711101213 /nfs/dbraw/zinc/10/12/13/711101213.db2.gz GRPKEMFLEKJMTH-ZJUUUORDSA-N 0 3 239.319 -0.277 20 0 BBADHN Cn1cc(CNC(=O)[C@H]2CCCCN2)nn1 ZINC000389983151 488127870 /nfs/dbraw/zinc/12/78/70/488127870.db2.gz KLRNCNXGGIWDBJ-SECBINFHSA-N 0 3 223.280 -0.427 20 0 BBADHN Cn1cc(CNC(=O)[C@@H]2CCCCN2)nn1 ZINC000389983152 488127818 /nfs/dbraw/zinc/12/78/18/488127818.db2.gz KLRNCNXGGIWDBJ-VIFPVBQESA-N 0 3 223.280 -0.427 20 0 BBADHN Cc1cc(N2C[C@H]3[C@H](CO)[C@H]3C2)nc(N)n1 ZINC000390125648 712372481 /nfs/dbraw/zinc/37/24/81/712372481.db2.gz HRVDQBJAWJSASS-BRPSZJMVSA-N 0 3 220.276 -0.128 20 0 BBADHN Cc1cc(NCc2cnnn2C)nc(N)n1 ZINC000390174341 711107618 /nfs/dbraw/zinc/10/76/18/711107618.db2.gz HTMCAYUNCLTTCC-UHFFFAOYSA-N 0 3 219.252 -0.640 20 0 BBADHN NC(C(=O)NCC1(CO)CC1)C(F)(F)F ZINC000390191290 397882012 /nfs/dbraw/zinc/88/20/12/397882012.db2.gz NNNTXVZZYDUVKP-RXMQYKEDSA-N 0 3 226.198 -0.235 20 0 BBADHN NC(C(=O)NCC1(CO)CC1)C(F)(F)F ZINC000390191291 398162803 /nfs/dbraw/zinc/16/28/03/398162803.db2.gz NNNTXVZZYDUVKP-YFKPBYRVSA-N 0 3 226.198 -0.235 20 0 BBADHN CN(C)C[C@@H](CO)Nc1cc(Cl)nc(N)n1 ZINC000390200374 712387766 /nfs/dbraw/zinc/38/77/66/712387766.db2.gz QKDXMTXCFJQNGK-LURJTMIESA-N 0 3 245.714 -0.701 20 0 BBADHN CN(C)C[C@H](CO)Nc1cc(Cl)nc(N)n1 ZINC000390200386 712387768 /nfs/dbraw/zinc/38/77/68/712387768.db2.gz QKDXMTXCFJQNGK-ZCFIWIBFSA-N 0 3 245.714 -0.701 20 0 BBADHN Cn1cnc(CNCCCNS(C)(=O)=O)c1 ZINC000390228888 711109792 /nfs/dbraw/zinc/10/97/92/711109792.db2.gz CCSMXNVLOHFXHB-UHFFFAOYSA-N 0 3 246.336 -0.551 20 0 BBADHN COCCNCC(=O)NCCCC(=O)N(C)C ZINC000390248548 259383796 /nfs/dbraw/zinc/38/37/96/259383796.db2.gz LQDPTTAJVRZHER-UHFFFAOYSA-N 0 3 245.323 -0.793 20 0 BBADHN CC(C)NCC(=O)NCCCC(=O)N(C)C ZINC000390265650 488145114 /nfs/dbraw/zinc/14/51/14/488145114.db2.gz PRETYMXNWDPZNE-UHFFFAOYSA-N 0 3 229.324 -0.031 20 0 BBADHN CN(CCCO)C1CC[NH+](CC(=O)[O-])CC1 ZINC000390266013 600178336 /nfs/dbraw/zinc/17/83/36/600178336.db2.gz PUTVKHZMFDXVFD-UHFFFAOYSA-N 0 3 230.308 -0.150 20 0 BBADHN Cc1cc(NCCCC(=O)N(C)C)nc(N)n1 ZINC000390290843 711111337 /nfs/dbraw/zinc/11/13/37/711111337.db2.gz OUQASXYUOLZESX-UHFFFAOYSA-N 0 3 237.307 -0.100 20 0 BBADHN CN(C)S(=O)(=O)N1C[C@@H]2CCN(C)C[C@@H]2C1 ZINC000390291271 711111976 /nfs/dbraw/zinc/11/19/76/711111976.db2.gz YWOQSSFRQVISRK-VHSXEESVSA-N 0 3 247.364 -0.324 20 0 BBADHN CN(C)C(=O)CCCNC(=O)C1(N)CCC1 ZINC000390298375 357088568 /nfs/dbraw/zinc/08/85/68/357088568.db2.gz YYRFYNFSHUXDCU-UHFFFAOYSA-N 0 3 227.308 -0.148 20 0 BBADHN CN[C@@H](C)C(=O)NCCCC(=O)N(C)C ZINC000390336629 357089194 /nfs/dbraw/zinc/08/91/94/357089194.db2.gz ITTSVYSDHXZNRU-QMMMGPOBSA-N 0 3 215.297 -0.421 20 0 BBADHN Cc1cc(NCc2cn(C)nn2)nc(N)n1 ZINC000390343622 711113244 /nfs/dbraw/zinc/11/32/44/711113244.db2.gz NNWAXNCPUKDFET-UHFFFAOYSA-N 0 3 219.252 -0.640 20 0 BBADHN CN(CCO)C1CC[NH+](CCC(=O)[O-])CC1 ZINC000390358964 599922738 /nfs/dbraw/zinc/92/27/38/599922738.db2.gz RENRRJGZBWGEAU-UHFFFAOYSA-N 0 3 230.308 -0.150 20 0 BBADHN Cc1cc(NCC2([S@](C)=O)CC2)nc(N)n1 ZINC000390380252 711114368 /nfs/dbraw/zinc/11/43/68/711114368.db2.gz ZGIHYJKMWJSLGX-INIZCTEOSA-N 0 3 240.332 -0.058 20 0 BBADHN Cc1cc(NCC2([S@@](C)=O)CC2)nc(N)n1 ZINC000390380259 711113744 /nfs/dbraw/zinc/11/37/44/711113744.db2.gz ZGIHYJKMWJSLGX-MRXNPFEDSA-N 0 3 240.332 -0.058 20 0 BBADHN [NH3+][C@H]1C[C@@H]([N-]S(=O)(=O)c2ccccn2)C1 ZINC000390381780 398172891 /nfs/dbraw/zinc/17/28/91/398172891.db2.gz ZVZCJTWDHSWRLQ-OCAPTIKFSA-N 0 3 227.289 -0.150 20 0 BBADHN CCS(=O)(=O)NCCN[C@H](C)[C@@H](C)O ZINC000390404755 357097633 /nfs/dbraw/zinc/09/76/33/357097633.db2.gz UTZHJZPPDXAKEA-HTQZYQBOSA-N 0 3 224.326 -0.715 20 0 BBADHN CCS(=O)(=O)NCCN[C@@H](C)[C@@H](C)O ZINC000390404756 357097812 /nfs/dbraw/zinc/09/78/12/357097812.db2.gz UTZHJZPPDXAKEA-JGVFFNPUSA-N 0 3 224.326 -0.715 20 0 BBADHN CCS(=O)(=O)NCCN[C@H](C)[C@H](C)O ZINC000390404757 357097623 /nfs/dbraw/zinc/09/76/23/357097623.db2.gz UTZHJZPPDXAKEA-SFYZADRCSA-N 0 3 224.326 -0.715 20 0 BBADHN CCS(=O)(=O)NCCN[C@@H](C)[C@H](C)O ZINC000390404758 357097661 /nfs/dbraw/zinc/09/76/61/357097661.db2.gz UTZHJZPPDXAKEA-YUMQZZPRSA-N 0 3 224.326 -0.715 20 0 BBADHN COC(=O)CC(C)(C)NCC(=O)NC(N)=O ZINC000390409931 711115377 /nfs/dbraw/zinc/11/53/77/711115377.db2.gz DJJGXAYJGJBASN-UHFFFAOYSA-N 0 3 231.252 -0.887 20 0 BBADHN CC[C@@H](O)CNCCNS(=O)(=O)CC ZINC000390410446 398172918 /nfs/dbraw/zinc/17/29/18/398172918.db2.gz WKPBRBIFENYYKE-MRVPVSSYSA-N 0 3 224.326 -0.714 20 0 BBADHN CC[C@H](O)CNCCNS(=O)(=O)CC ZINC000390410447 259387692 /nfs/dbraw/zinc/38/76/92/259387692.db2.gz WKPBRBIFENYYKE-QMMMGPOBSA-N 0 3 224.326 -0.714 20 0 BBADHN COC(=O)C[C@]1(NC[C@H](C)CO)CCOC1 ZINC000390429051 371201175 /nfs/dbraw/zinc/20/11/75/371201175.db2.gz OETTURIBFFBXNY-GXSJLCMTSA-N 0 3 231.292 -0.073 20 0 BBADHN COC(=O)C[C@@]1(NC[C@@H](C)CO)CCOC1 ZINC000390429052 371201395 /nfs/dbraw/zinc/20/13/95/371201395.db2.gz OETTURIBFFBXNY-KOLCDFICSA-N 0 3 231.292 -0.073 20 0 BBADHN COC(=O)C[C@]1(NC[C@@H](C)CO)CCOC1 ZINC000390429053 371201188 /nfs/dbraw/zinc/20/11/88/371201188.db2.gz OETTURIBFFBXNY-MWLCHTKSSA-N 0 3 231.292 -0.073 20 0 BBADHN COC(=O)C[C@@]1(NC[C@H](C)CO)CCOC1 ZINC000390429054 371201213 /nfs/dbraw/zinc/20/12/13/371201213.db2.gz OETTURIBFFBXNY-ONGXEEELSA-N 0 3 231.292 -0.073 20 0 BBADHN C[C@@H]1CCNC(=O)[C@@H]1NC[C@@H]1CCC(=O)N1 ZINC000390432369 398173415 /nfs/dbraw/zinc/17/34/15/398173415.db2.gz AONYNKREVPNJCS-KHQFGBGNSA-N 0 3 225.292 -0.621 20 0 BBADHN C[C@@H]1CCNC(=O)[C@H]1NC[C@@H]1CCC(=O)N1 ZINC000390432373 397889310 /nfs/dbraw/zinc/88/93/10/397889310.db2.gz AONYNKREVPNJCS-WEDXCCLWSA-N 0 3 225.292 -0.621 20 0 BBADHN CCOC(=O)[C@@H](CC1CC1)NC(=O)CN ZINC000390433951 711116558 /nfs/dbraw/zinc/11/65/58/711116558.db2.gz RAUBTLOMHUFYGF-MRVPVSSYSA-N 0 3 214.265 -0.207 20 0 BBADHN CCOC(=O)[C@H](CC1CC1)NC(=O)CN ZINC000390433953 711116408 /nfs/dbraw/zinc/11/64/08/711116408.db2.gz RAUBTLOMHUFYGF-QMMMGPOBSA-N 0 3 214.265 -0.207 20 0 BBADHN Cn1cnc(S(=O)(=O)[N-][C@H]2C[C@@H]([NH3+])C2)c1 ZINC000390453120 397890633 /nfs/dbraw/zinc/89/06/33/397890633.db2.gz BVOYXBMVAWMKCQ-KNVOCYPGSA-N 0 3 230.293 -0.812 20 0 BBADHN CC(C)Cc1noc(CNC(=O)CN)n1 ZINC000390455949 711117571 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IUGYHKHUYWMJNT-UHFFFAOYSA-N 0 3 229.324 -0.044 20 0 BBADHN CC[C@H](CSC)N(C)C(=O)C(=O)NCCN ZINC000419810286 192146169 /nfs/dbraw/zinc/14/61/69/192146169.db2.gz AWDAHTMMBGLTID-MRVPVSSYSA-N 0 3 247.364 -0.339 20 0 BBADHN CC[C@@H](CSC)N(C)C(=O)C(=O)NCCN ZINC000419810292 192146144 /nfs/dbraw/zinc/14/61/44/192146144.db2.gz AWDAHTMMBGLTID-QMMMGPOBSA-N 0 3 247.364 -0.339 20 0 BBADHN CC[C@@H]1CN(C(=O)C(=O)NCCN)CCS1 ZINC000419810729 192145758 /nfs/dbraw/zinc/14/57/58/192145758.db2.gz BGUZBOPARFARCJ-MRVPVSSYSA-N 0 3 245.348 -0.585 20 0 BBADHN CC[C@H]1CN(C(=O)C(=O)NCCN)CCS1 ZINC000419810735 192145591 /nfs/dbraw/zinc/14/55/91/192145591.db2.gz BGUZBOPARFARCJ-QMMMGPOBSA-N 0 3 245.348 -0.585 20 0 BBADHN NCCNC(=O)C(=O)N1CCCC2(CCC2)C1 ZINC000419814227 192145562 /nfs/dbraw/zinc/14/55/62/192145562.db2.gz IDZJTSNSMIVMQQ-UHFFFAOYSA-N 0 3 239.319 -0.146 20 0 BBADHN CC(C)[C@H]1CCCN(C(=O)C(=O)NCCN)C1 ZINC000419815892 192145635 /nfs/dbraw/zinc/14/56/35/192145635.db2.gz KAMVQUOWJONDIF-JTQLQIEISA-N 0 3 241.335 -0.044 20 0 BBADHN CC(C)[C@@H]1CCCN(C(=O)C(=O)NCCN)C1 ZINC000419815894 192146178 /nfs/dbraw/zinc/14/61/78/192146178.db2.gz KAMVQUOWJONDIF-SNVBAGLBSA-N 0 3 241.335 -0.044 20 0 BBADHN CC[C@H]1CN(C(=O)C(=O)NCCN)C[C@@H](C)O1 ZINC000419816608 192146127 /nfs/dbraw/zinc/14/61/27/192146127.db2.gz LJKUVWAHFXVASW-BDAKNGLRSA-N 0 3 243.307 -0.913 20 0 BBADHN CC[C@@H]1CN(C(=O)C(=O)NCCN)C[C@H](C)O1 ZINC000419816610 192146234 /nfs/dbraw/zinc/14/62/34/192146234.db2.gz LJKUVWAHFXVASW-DTWKUNHWSA-N 0 3 243.307 -0.913 20 0 BBADHN CC[C@H]1CN(C(=O)C(=O)NCCN)C[C@H](C)O1 ZINC000419816612 192145771 /nfs/dbraw/zinc/14/57/71/192145771.db2.gz LJKUVWAHFXVASW-IUCAKERBSA-N 0 3 243.307 -0.913 20 0 BBADHN CC[C@@H]1CN(C(=O)C(=O)NCCN)C[C@@H](C)O1 ZINC000419816613 192145804 /nfs/dbraw/zinc/14/58/04/192145804.db2.gz LJKUVWAHFXVASW-RKDXNWHRSA-N 0 3 243.307 -0.913 20 0 BBADHN C[C@@H]1CN(C(=O)C(=O)NCCN)[C@H](C)[C@H](C)O1 ZINC000419819303 192145966 /nfs/dbraw/zinc/14/59/66/192145966.db2.gz PZWPPXVIQRUKRY-HLTSFMKQSA-N 0 3 243.307 -0.914 20 0 BBADHN C[C@@H]1CN(C(=O)C(=O)NCCN)[C@@H](C)[C@@H](C)O1 ZINC000419819305 192146260 /nfs/dbraw/zinc/14/62/60/192146260.db2.gz PZWPPXVIQRUKRY-HRDYMLBCSA-N 0 3 243.307 -0.914 20 0 BBADHN C[C@@H]1CN(C(=O)C(=O)NCCN)[C@H](C)[C@@H](C)O1 ZINC000419819307 192145839 /nfs/dbraw/zinc/14/58/39/192145839.db2.gz PZWPPXVIQRUKRY-IWSPIJDZSA-N 0 3 243.307 -0.914 20 0 BBADHN C[C@@H]1CN(C(=O)C(=O)NCCN)[C@@H](C)[C@H](C)O1 ZINC000419819308 192145691 /nfs/dbraw/zinc/14/56/91/192145691.db2.gz PZWPPXVIQRUKRY-VGMNWLOBSA-N 0 3 243.307 -0.914 20 0 BBADHN CSC[C@H]1CCCN1C(=O)C(=O)NCCN ZINC000419819692 192145830 /nfs/dbraw/zinc/14/58/30/192145830.db2.gz QNILIUONVUEKEU-MRVPVSSYSA-N 0 3 245.348 -0.585 20 0 BBADHN CSC[C@@H]1CCCN1C(=O)C(=O)NCCN ZINC000419819694 192145641 /nfs/dbraw/zinc/14/56/41/192145641.db2.gz QNILIUONVUEKEU-QMMMGPOBSA-N 0 3 245.348 -0.585 20 0 BBADHN CCC[C@@H]1CN(C(=O)C(=O)NCCN)CCO1 ZINC000419830652 192147107 /nfs/dbraw/zinc/14/71/07/192147107.db2.gz GGEXOWRGFFJCFC-SECBINFHSA-N 0 3 243.307 -0.911 20 0 BBADHN CCC[C@H]1CN(C(=O)C(=O)NCCN)CCO1 ZINC000419830653 192146997 /nfs/dbraw/zinc/14/69/97/192146997.db2.gz GGEXOWRGFFJCFC-VIFPVBQESA-N 0 3 243.307 -0.911 20 0 BBADHN CCCCN(CCOC)C(=O)C(=O)NCCN ZINC000419831522 192146904 /nfs/dbraw/zinc/14/69/04/192146904.db2.gz HRRHXAQZLQXYLR-UHFFFAOYSA-N 0 3 245.323 -0.664 20 0 BBADHN CC(C)C[C@H](CN)NC(=O)C(=O)N1CC(F)C1 ZINC000419953766 192152635 /nfs/dbraw/zinc/15/26/35/192152635.db2.gz LHJOOGRSHMDYJV-SECBINFHSA-N 0 3 245.298 -0.344 20 0 BBADHN CC(C)C[C@@H](CN)NC(=O)C(=O)N1CC(F)C1 ZINC000419953768 192152220 /nfs/dbraw/zinc/15/22/20/192152220.db2.gz LHJOOGRSHMDYJV-VIFPVBQESA-N 0 3 245.298 -0.344 20 0 BBADHN CC(C)C[C@H](CN)NC(=O)C(=O)N1CCC1 ZINC000419953824 192152289 /nfs/dbraw/zinc/15/22/89/192152289.db2.gz LJXGGJGDRWFZHO-SECBINFHSA-N 0 3 227.308 -0.292 20 0 BBADHN CC(C)C[C@@H](CN)NC(=O)C(=O)N1CCC1 ZINC000419953825 192152521 /nfs/dbraw/zinc/15/25/21/192152521.db2.gz LJXGGJGDRWFZHO-VIFPVBQESA-N 0 3 227.308 -0.292 20 0 BBADHN C[C@H](CN)NC(=O)C(=O)N1CC[C@H](C)[C@H]1C ZINC000419989120 192155236 /nfs/dbraw/zinc/15/52/36/192155236.db2.gz GEWWLOPPENACBC-DJLDLDEBSA-N 0 3 227.308 -0.293 20 0 BBADHN C[C@H](CN)NC(=O)C(=O)N1CC[C@@H](C)[C@@H]1C ZINC000419989122 192155793 /nfs/dbraw/zinc/15/57/93/192155793.db2.gz GEWWLOPPENACBC-HLTSFMKQSA-N 0 3 227.308 -0.293 20 0 BBADHN C[C@H](CN)NC(=O)C(=O)N1CC[C@@H](C)[C@H]1C ZINC000419989124 192155875 /nfs/dbraw/zinc/15/58/75/192155875.db2.gz GEWWLOPPENACBC-IWSPIJDZSA-N 0 3 227.308 -0.293 20 0 BBADHN C[C@H](CN)NC(=O)C(=O)N1CC[C@H](C)[C@@H]1C ZINC000419989126 192155439 /nfs/dbraw/zinc/15/54/39/192155439.db2.gz GEWWLOPPENACBC-YIZRAAEISA-N 0 3 227.308 -0.293 20 0 BBADHN CC(C)[C@@H]1CCN(C(=O)C(=O)N[C@H](C)CN)C1 ZINC000419992860 192155061 /nfs/dbraw/zinc/15/50/61/192155061.db2.gz CVZQGJHOHTVGLM-NXEZZACHSA-N 0 3 241.335 -0.046 20 0 BBADHN CC(C)[C@H]1CCN(C(=O)C(=O)N[C@H](C)CN)C1 ZINC000419992861 192155129 /nfs/dbraw/zinc/15/51/29/192155129.db2.gz CVZQGJHOHTVGLM-ZJUUUORDSA-N 0 3 241.335 -0.046 20 0 BBADHN C[C@@H](CN)NC(=O)C(=O)N1CC[C@H]2CCC[C@@H]21 ZINC000420004601 192152461 /nfs/dbraw/zinc/15/24/61/192152461.db2.gz ATHVJJCRWLVTTC-AEJSXWLSSA-N 0 3 239.319 -0.149 20 0 BBADHN C[C@@H](CN)NC(=O)C(=O)N1CC[C@@H]2CCC[C@@H]21 ZINC000420004603 192152443 /nfs/dbraw/zinc/15/24/43/192152443.db2.gz ATHVJJCRWLVTTC-GUBZILKMSA-N 0 3 239.319 -0.149 20 0 BBADHN C[C@@H](CN)NC(=O)C(=O)N1CC[C@H]2CCC[C@H]21 ZINC000420004605 192152367 /nfs/dbraw/zinc/15/23/67/192152367.db2.gz ATHVJJCRWLVTTC-IVZWLZJFSA-N 0 3 239.319 -0.149 20 0 BBADHN C[C@@H](CN)NC(=O)C(=O)N1CC[C@@H]2CCC[C@H]21 ZINC000420004606 192152172 /nfs/dbraw/zinc/15/21/72/192152172.db2.gz ATHVJJCRWLVTTC-LPEHRKFASA-N 0 3 239.319 -0.149 20 0 BBADHN CCCCCNC(=O)C(=O)N[C@H](C)CN ZINC000420006436 192152231 /nfs/dbraw/zinc/15/22/31/192152231.db2.gz QVVKWCUKXSWXLQ-MRVPVSSYSA-N 0 3 215.297 -0.244 20 0 BBADHN C[C@@H](CN)NC(=O)C(=O)N1CC[C@@H](C2CC2)C1 ZINC000420007868 192152284 /nfs/dbraw/zinc/15/22/84/192152284.db2.gz AMFKXQFGJXONOU-WCBMZHEXSA-N 0 3 239.319 -0.292 20 0 BBADHN C[C@@H](CN)NC(=O)C(=O)N1CC[C@H](C2CC2)C1 ZINC000420007871 192152516 /nfs/dbraw/zinc/15/25/16/192152516.db2.gz AMFKXQFGJXONOU-WPRPVWTQSA-N 0 3 239.319 -0.292 20 0 BBADHN CC1=C[C@@H](C)CN(C(=O)C(=O)N[C@@H](C)CN)C1 ZINC000420010876 192153130 /nfs/dbraw/zinc/15/31/30/192153130.db2.gz FYFGSTDYTMDBDQ-SCZZXKLOSA-N 0 3 239.319 -0.126 20 0 BBADHN CC1=C[C@H](C)CN(C(=O)C(=O)N[C@@H](C)CN)C1 ZINC000420010877 192153896 /nfs/dbraw/zinc/15/38/96/192153896.db2.gz FYFGSTDYTMDBDQ-WPRPVWTQSA-N 0 3 239.319 -0.126 20 0 BBADHN C[C@@H](CN)NC(=O)C(=O)N1CC[C@H](C)[C@@H]1C ZINC000420010986 192153570 /nfs/dbraw/zinc/15/35/70/192153570.db2.gz GEWWLOPPENACBC-CIUDSAMLSA-N 0 3 227.308 -0.293 20 0 BBADHN C[C@@H](CN)NC(=O)C(=O)N1CC[C@@H](C)[C@H]1C ZINC000420010988 192153955 /nfs/dbraw/zinc/15/39/55/192153955.db2.gz GEWWLOPPENACBC-HRDYMLBCSA-N 0 3 227.308 -0.293 20 0 BBADHN C[C@@H](CN)NC(=O)C(=O)N1CC[C@@H](C)[C@@H]1C ZINC000420010989 192153790 /nfs/dbraw/zinc/15/37/90/192153790.db2.gz GEWWLOPPENACBC-VGMNWLOBSA-N 0 3 227.308 -0.293 20 0 BBADHN C[C@@H](CN)NC(=O)C(=O)N1CC[C@H](C)[C@H]1C ZINC000420010991 192153232 /nfs/dbraw/zinc/15/32/32/192153232.db2.gz GEWWLOPPENACBC-XHNCKOQMSA-N 0 3 227.308 -0.293 20 0 BBADHN CC[C@H]1CCCN1C(=O)C(=O)N[C@H](C)CN ZINC000420014070 192153592 /nfs/dbraw/zinc/15/35/92/192153592.db2.gz MVZCLOQARZIYFH-BDAKNGLRSA-N 0 3 227.308 -0.149 20 0 BBADHN CC[C@@H]1CCCN1C(=O)C(=O)N[C@H](C)CN ZINC000420014071 192153180 /nfs/dbraw/zinc/15/31/80/192153180.db2.gz MVZCLOQARZIYFH-RKDXNWHRSA-N 0 3 227.308 -0.149 20 0 BBADHN C[C@@H](CN)NC(=O)C(=O)N1C[C@@H]2CCC[C@H]2C1 ZINC000420014116 192153735 /nfs/dbraw/zinc/15/37/35/192153735.db2.gz JUVOKEGUIWNPOQ-GUBZILKMSA-N 0 3 239.319 -0.292 20 0 BBADHN C[C@@H](CN)NC(=O)C(=O)N1C[C@H]2CCC[C@@H]2C1 ZINC000420014117 192153240 /nfs/dbraw/zinc/15/32/40/192153240.db2.gz JUVOKEGUIWNPOQ-IVZWLZJFSA-N 0 3 239.319 -0.292 20 0 BBADHN C[C@@H](CN)NC(=O)C(=O)N1C[C@@H]2CCC[C@@H]2C1 ZINC000420014118 192153489 /nfs/dbraw/zinc/15/34/89/192153489.db2.gz JUVOKEGUIWNPOQ-LPEHRKFASA-N 0 3 239.319 -0.292 20 0 BBADHN C[C@H](CN)NC(=O)C(=O)N1CC[C@H](C)[C@H](C)C1 ZINC000420016042 192153381 /nfs/dbraw/zinc/15/33/81/192153381.db2.gz RQGWDQMMJMSNIR-IVZWLZJFSA-N 0 3 241.335 -0.046 20 0 BBADHN C[C@H](CN)NC(=O)C(=O)N1CC[C@@H](C)[C@@H](C)C1 ZINC000420016043 192153823 /nfs/dbraw/zinc/15/38/23/192153823.db2.gz RQGWDQMMJMSNIR-KXUCPTDWSA-N 0 3 241.335 -0.046 20 0 BBADHN C[C@H](CN)NC(=O)C(=O)N1CC[C@H](C)[C@@H](C)C1 ZINC000420016044 192153705 /nfs/dbraw/zinc/15/37/05/192153705.db2.gz RQGWDQMMJMSNIR-LPEHRKFASA-N 0 3 241.335 -0.046 20 0 BBADHN C[C@H](CN)NC(=O)C(=O)N1CC[C@@H](C)[C@H](C)C1 ZINC000420016045 192153255 /nfs/dbraw/zinc/15/32/55/192153255.db2.gz RQGWDQMMJMSNIR-OPRDCNLKSA-N 0 3 241.335 -0.046 20 0 BBADHN CC[C@@H]1CCCN1C(=O)C(=O)N[C@@H](C)CN ZINC000420016301 192153236 /nfs/dbraw/zinc/15/32/36/192153236.db2.gz MVZCLOQARZIYFH-DTWKUNHWSA-N 0 3 227.308 -0.149 20 0 BBADHN CC[C@H]1CCCN1C(=O)C(=O)N[C@@H](C)CN ZINC000420016302 192153921 /nfs/dbraw/zinc/15/39/21/192153921.db2.gz MVZCLOQARZIYFH-IUCAKERBSA-N 0 3 227.308 -0.149 20 0 BBADHN C[C@H](CN)NC(=O)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000420017006 192153334 /nfs/dbraw/zinc/15/33/34/192153334.db2.gz UNLVOEQYCIBQEE-KXUCPTDWSA-N 0 3 241.335 -0.046 20 0 BBADHN C[C@H](CN)NC(=O)C(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000420017007 192153973 /nfs/dbraw/zinc/15/39/73/192153973.db2.gz UNLVOEQYCIBQEE-LPEHRKFASA-N 0 3 241.335 -0.046 20 0 BBADHN C[C@H](CN)NC(=O)C(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000420017008 192153478 /nfs/dbraw/zinc/15/34/78/192153478.db2.gz UNLVOEQYCIBQEE-OPRDCNLKSA-N 0 3 241.335 -0.046 20 0 BBADHN C[C@@H](CN)NC(=O)C(=O)N1CCC[C@@H](C)C1 ZINC000420019297 192153412 /nfs/dbraw/zinc/15/34/12/192153412.db2.gz BMZVUEQOPVPANE-BDAKNGLRSA-N 0 3 227.308 -0.292 20 0 BBADHN C[C@@H](CN)NC(=O)C(=O)N1CCC[C@H](C)C1 ZINC000420019299 192153743 /nfs/dbraw/zinc/15/37/43/192153743.db2.gz BMZVUEQOPVPANE-IUCAKERBSA-N 0 3 227.308 -0.292 20 0 BBADHN CCCCCNC(=O)C(=O)N[C@@H](C)CN ZINC000420019422 192153838 /nfs/dbraw/zinc/15/38/38/192153838.db2.gz QVVKWCUKXSWXLQ-QMMMGPOBSA-N 0 3 215.297 -0.244 20 0 BBADHN C[C@@H](CN)NC(=O)C(=O)N1C[C@@H]2[C@H](C1)C2(C)C ZINC000420019490 192153281 /nfs/dbraw/zinc/15/32/81/192153281.db2.gz RBBGGCFCAYITJU-XHNCKOQMSA-N 0 3 239.319 -0.436 20 0 BBADHN C[C@@H](CN)NC(=O)C(=O)N1CCC2(CCC2)C1 ZINC000420019636 192153376 /nfs/dbraw/zinc/15/33/76/192153376.db2.gz CFWUSXKXOHMFLV-VIFPVBQESA-N 0 3 239.319 -0.148 20 0 BBADHN CC(C)[C@H]1CCN(C(=O)C(=O)N[C@@H](C)CN)C1 ZINC000420019927 192153855 /nfs/dbraw/zinc/15/38/55/192153855.db2.gz CVZQGJHOHTVGLM-UWVGGRQHSA-N 0 3 241.335 -0.046 20 0 BBADHN CC(C)[C@@H]1CCN(C(=O)C(=O)N[C@@H](C)CN)C1 ZINC000420019928 192153465 /nfs/dbraw/zinc/15/34/65/192153465.db2.gz CVZQGJHOHTVGLM-VHSXEESVSA-N 0 3 241.335 -0.046 20 0 BBADHN C[C@@H](CN)NC(=O)C(=O)N1Cc2ccccc2C1 ZINC000420020236 192153688 /nfs/dbraw/zinc/15/36/88/192153688.db2.gz DYMNCHZLXOBZOQ-VIFPVBQESA-N 0 3 247.298 -0.008 20 0 BBADHN C[C@@H](CN)NC(=O)C(=O)N1CCC(C)CC1 ZINC000420020806 192153993 /nfs/dbraw/zinc/15/39/93/192153993.db2.gz SSLGPNIWZWFNNS-VIFPVBQESA-N 0 3 227.308 -0.292 20 0 BBADHN C[C@@H](CN)NC(=O)C(=O)N1CCCC2(CC2)C1 ZINC000420021180 192152278 /nfs/dbraw/zinc/15/22/78/192152278.db2.gz HAKPGKMXCDFXAT-VIFPVBQESA-N 0 3 239.319 -0.148 20 0 BBADHN C[C@@H](CN)NC(=O)C(=O)N1CCCCCC1 ZINC000420021237 192158019 /nfs/dbraw/zinc/15/80/19/192158019.db2.gz TYWMVQNRIVVWBC-VIFPVBQESA-N 0 3 227.308 -0.148 20 0 BBADHN C[C@@H](CN)NC(=O)C(=O)N1CCC(C)(C)C1 ZINC000420026401 192158088 /nfs/dbraw/zinc/15/80/88/192158088.db2.gz JGGGKYGRQVGMIE-QMMMGPOBSA-N 0 3 227.308 -0.292 20 0 BBADHN C[C@@H](CN)NC(=O)C(=O)N1C[C@H](C)[C@@H](C)C1 ZINC000420027256 192158200 /nfs/dbraw/zinc/15/82/00/192158200.db2.gz KLJAMWODLAMVOC-CIUDSAMLSA-N 0 3 227.308 -0.436 20 0 BBADHN C[C@@H](CN)NC(=O)C(=O)N1C[C@@H](C)[C@H](C)C1 ZINC000420027258 192158305 /nfs/dbraw/zinc/15/83/05/192158305.db2.gz KLJAMWODLAMVOC-HLTSFMKQSA-N 0 3 227.308 -0.436 20 0 BBADHN C[C@H](CN)NC(=O)C(=O)N1C[C@H](C)[C@H](C)C1 ZINC000420027259 192158110 /nfs/dbraw/zinc/15/81/10/192158110.db2.gz KLJAMWODLAMVOC-HRDYMLBCSA-N 0 3 227.308 -0.436 20 0 BBADHN C[C@H](CN)NC(=O)C(=O)N1C[C@@H](C)[C@H](C)C1 ZINC000420027261 192158943 /nfs/dbraw/zinc/15/89/43/192158943.db2.gz KLJAMWODLAMVOC-IWSPIJDZSA-N 0 3 227.308 -0.436 20 0 BBADHN C[C@H](CN)NC(=O)C(=O)N1C[C@H](C)[C@@H](C)C1 ZINC000420027262 192158722 /nfs/dbraw/zinc/15/87/22/192158722.db2.gz KLJAMWODLAMVOC-XHNCKOQMSA-N 0 3 227.308 -0.436 20 0 BBADHN C[C@@H](CN)NC(=O)C(=O)N1C[C@H](C)[C@H](C)C1 ZINC000420027263 192158716 /nfs/dbraw/zinc/15/87/16/192158716.db2.gz KLJAMWODLAMVOC-YIZRAAEISA-N 0 3 227.308 -0.436 20 0 BBADHN C[C@@H](CN)NC(=O)C(=O)N1[C@@H](C)CC[C@@H]1C ZINC000420029311 192158552 /nfs/dbraw/zinc/15/85/52/192158552.db2.gz NKKPHHKYMFCEMX-CIUDSAMLSA-N 0 3 227.308 -0.151 20 0 BBADHN C[C@@H](CN)NC(=O)C(=O)N1[C@H](C)CC[C@H]1C ZINC000420029313 192158773 /nfs/dbraw/zinc/15/87/73/192158773.db2.gz NKKPHHKYMFCEMX-DJLDLDEBSA-N 0 3 227.308 -0.151 20 0 BBADHN C[C@H](CN)NC(=O)C(=O)N1[C@H](C)CC[C@@H]1C ZINC000420029315 192158257 /nfs/dbraw/zinc/15/82/57/192158257.db2.gz NKKPHHKYMFCEMX-HLTSFMKQSA-N 0 3 227.308 -0.151 20 0 BBADHN C[C@H](CN)NC(=O)C(=O)N1[C@H](C)CC[C@H]1C ZINC000420029316 192158168 /nfs/dbraw/zinc/15/81/68/192158168.db2.gz NKKPHHKYMFCEMX-IWSPIJDZSA-N 0 3 227.308 -0.151 20 0 BBADHN C[C@H](CN)NC(=O)C(=O)N1[C@@H](C)CC[C@@H]1C ZINC000420029318 192158025 /nfs/dbraw/zinc/15/80/25/192158025.db2.gz NKKPHHKYMFCEMX-VGMNWLOBSA-N 0 3 227.308 -0.151 20 0 BBADHN C[C@@H](CN)NC(=O)C(=O)N1[C@H](C)CC[C@@H]1C ZINC000420029320 192158878 /nfs/dbraw/zinc/15/88/78/192158878.db2.gz NKKPHHKYMFCEMX-XHNCKOQMSA-N 0 3 227.308 -0.151 20 0 BBADHN C[C@@H](CN)NC(=O)C(=O)N1CCCC[C@H]1C ZINC000420029694 192158358 /nfs/dbraw/zinc/15/83/58/192158358.db2.gz OKSVODBMTPBOMS-DTWKUNHWSA-N 0 3 227.308 -0.149 20 0 BBADHN C[C@@H](CN)NC(=O)C(=O)N1CCCC[C@@H]1C ZINC000420029695 192158156 /nfs/dbraw/zinc/15/81/56/192158156.db2.gz OKSVODBMTPBOMS-IUCAKERBSA-N 0 3 227.308 -0.149 20 0 BBADHN C[C@@H](CN)NC(=O)C(=O)N1CC[C@H](C)[C@H](C)C1 ZINC000420031311 192158237 /nfs/dbraw/zinc/15/82/37/192158237.db2.gz RQGWDQMMJMSNIR-AEJSXWLSSA-N 0 3 241.335 -0.046 20 0 BBADHN C[C@@H](CN)NC(=O)C(=O)N1CC[C@@H](C)[C@H](C)C1 ZINC000420031313 192158276 /nfs/dbraw/zinc/15/82/76/192158276.db2.gz RQGWDQMMJMSNIR-BBBLOLIVSA-N 0 3 241.335 -0.046 20 0 BBADHN C[C@@H](CN)NC(=O)C(=O)N1CC[C@H](C)[C@@H](C)C1 ZINC000420031315 192158660 /nfs/dbraw/zinc/15/86/60/192158660.db2.gz RQGWDQMMJMSNIR-GUBZILKMSA-N 0 3 241.335 -0.046 20 0 BBADHN C[C@@H](CN)NC(=O)C(=O)N1CC[C@@H](C)[C@@H](C)C1 ZINC000420031317 192158848 /nfs/dbraw/zinc/15/88/48/192158848.db2.gz RQGWDQMMJMSNIR-UTLUCORTSA-N 0 3 241.335 -0.046 20 0 BBADHN CC[C@H]1CCN(C(=O)C(=O)N[C@H](C)CN)C1 ZINC000420031319 192158710 /nfs/dbraw/zinc/15/87/10/192158710.db2.gz RQQMQVUDXCKSTP-BDAKNGLRSA-N 0 3 227.308 -0.292 20 0 BBADHN CC[C@@H]1CCN(C(=O)C(=O)N[C@@H](C)CN)C1 ZINC000420031320 192158755 /nfs/dbraw/zinc/15/87/55/192158755.db2.gz RQQMQVUDXCKSTP-DTWKUNHWSA-N 0 3 227.308 -0.292 20 0 BBADHN CC[C@H]1CCN(C(=O)C(=O)N[C@@H](C)CN)C1 ZINC000420031322 192158162 /nfs/dbraw/zinc/15/81/62/192158162.db2.gz RQQMQVUDXCKSTP-IUCAKERBSA-N 0 3 227.308 -0.292 20 0 BBADHN CC[C@@H]1CCN(C(=O)C(=O)N[C@H](C)CN)C1 ZINC000420031323 192158066 /nfs/dbraw/zinc/15/80/66/192158066.db2.gz RQQMQVUDXCKSTP-RKDXNWHRSA-N 0 3 227.308 -0.292 20 0 BBADHN C[C@@H](CN)NC(=O)C(=O)N1CCSC[C@H]1C ZINC000420032402 192158858 /nfs/dbraw/zinc/15/88/58/192158858.db2.gz UDSYFNQGIWZGGN-JGVFFNPUSA-N 0 3 245.348 -0.586 20 0 BBADHN C[C@@H](CN)NC(=O)C(=O)N1CCSC[C@@H]1C ZINC000420032403 192158583 /nfs/dbraw/zinc/15/85/83/192158583.db2.gz UDSYFNQGIWZGGN-YUMQZZPRSA-N 0 3 245.348 -0.586 20 0 BBADHN C[C@@H](CN)NC(=O)C(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000420032479 192158196 /nfs/dbraw/zinc/15/81/96/192158196.db2.gz UNLVOEQYCIBQEE-AEJSXWLSSA-N 0 3 241.335 -0.046 20 0 BBADHN C[C@@H](CN)NC(=O)C(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000420032480 192158785 /nfs/dbraw/zinc/15/87/85/192158785.db2.gz UNLVOEQYCIBQEE-BBBLOLIVSA-N 0 3 241.335 -0.046 20 0 BBADHN C[C@@H](CN)NC(=O)C(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000420032481 192158114 /nfs/dbraw/zinc/15/81/14/192158114.db2.gz UNLVOEQYCIBQEE-GUBZILKMSA-N 0 3 241.335 -0.046 20 0 BBADHN C[C@@H](CN)NC(=O)C(=O)N1C[C@@H](C)C[C@@H]1C ZINC000420033254 192158225 /nfs/dbraw/zinc/15/82/25/192158225.db2.gz VWVLIVRKTFMTRL-CIUDSAMLSA-N 0 3 227.308 -0.293 20 0 BBADHN C[C@H](CN)NC(=O)C(=O)N1C[C@@H](C)C[C@H]1C ZINC000420033257 192158140 /nfs/dbraw/zinc/15/81/40/192158140.db2.gz VWVLIVRKTFMTRL-DJLDLDEBSA-N 0 3 227.308 -0.293 20 0 BBADHN C[C@H](CN)NC(=O)C(=O)N1C[C@H](C)C[C@@H]1C ZINC000420033260 192158897 /nfs/dbraw/zinc/15/88/97/192158897.db2.gz VWVLIVRKTFMTRL-HLTSFMKQSA-N 0 3 227.308 -0.293 20 0 BBADHN C[C@@H](CN)NC(=O)C(=O)N1C[C@H](C)C[C@H]1C ZINC000420033263 192158822 /nfs/dbraw/zinc/15/88/22/192158822.db2.gz VWVLIVRKTFMTRL-HRDYMLBCSA-N 0 3 227.308 -0.293 20 0 BBADHN C[C@H](CN)NC(=O)C(=O)N1C[C@H](C)C[C@H]1C ZINC000420033266 192158958 /nfs/dbraw/zinc/15/89/58/192158958.db2.gz VWVLIVRKTFMTRL-IWSPIJDZSA-N 0 3 227.308 -0.293 20 0 BBADHN C[C@@H](CN)NC(=O)C(=O)N1C[C@H](C)C[C@@H]1C ZINC000420033269 192158541 /nfs/dbraw/zinc/15/85/41/192158541.db2.gz VWVLIVRKTFMTRL-VGMNWLOBSA-N 0 3 227.308 -0.293 20 0 BBADHN C[C@@H](CN)NC(=O)C(=O)N1C[C@@H](C)C[C@H]1C ZINC000420033272 192158651 /nfs/dbraw/zinc/15/86/51/192158651.db2.gz VWVLIVRKTFMTRL-XHNCKOQMSA-N 0 3 227.308 -0.293 20 0 BBADHN C[C@H](CN)NC(=O)C(=O)N1C[C@@H](C)C[C@@H]1C ZINC000420033275 192158337 /nfs/dbraw/zinc/15/83/37/192158337.db2.gz VWVLIVRKTFMTRL-YIZRAAEISA-N 0 3 227.308 -0.293 20 0 BBADHN C[C@@H](CN)NC(=O)C(=O)N1CCCC1(C)C ZINC000420033623 192158469 /nfs/dbraw/zinc/15/84/69/192158469.db2.gz WDURUXFLJJBLMN-QMMMGPOBSA-N 0 3 227.308 -0.149 20 0 BBADHN CC(C)[C@H]1CCN1C(=O)C(=O)N[C@@H](C)CN ZINC000420034186 192158929 /nfs/dbraw/zinc/15/89/29/192158929.db2.gz XGHRZCRHTJJXPK-DTWKUNHWSA-N 0 3 227.308 -0.293 20 0 BBADHN CC(C)[C@@H]1CCN1C(=O)C(=O)N[C@@H](C)CN ZINC000420034187 192158699 /nfs/dbraw/zinc/15/86/99/192158699.db2.gz XGHRZCRHTJJXPK-IUCAKERBSA-N 0 3 227.308 -0.293 20 0 BBADHN C[C@@H](CN)NC(=O)C(=O)N1CC2(C1)CCCC2 ZINC000420035140 192158747 /nfs/dbraw/zinc/15/87/47/192158747.db2.gz YFFQAPKQEBKBFY-VIFPVBQESA-N 0 3 239.319 -0.148 20 0 BBADHN C[C@@H](CN)NC(=O)C(=O)N1CCCC12CCC2 ZINC000420035967 192158061 /nfs/dbraw/zinc/15/80/61/192158061.db2.gz ZPYKFOHKAFJDJO-VIFPVBQESA-N 0 3 239.319 -0.005 20 0 BBADHN CCCC[C@H](CN)NC(=O)C(=O)N1CC(F)C1 ZINC000420132160 192168444 /nfs/dbraw/zinc/16/84/44/192168444.db2.gz ZOHDZKAVSIBAIG-SECBINFHSA-N 0 3 245.298 -0.200 20 0 BBADHN CCCC[C@@H](CN)NC(=O)C(=O)N1CC(F)C1 ZINC000420132162 192168600 /nfs/dbraw/zinc/16/86/00/192168600.db2.gz ZOHDZKAVSIBAIG-VIFPVBQESA-N 0 3 245.298 -0.200 20 0 BBADHN C[NH2+]CCCN=c1nc2[nH][n-]cc-2c(N)n1 ZINC000420136759 411901762 /nfs/dbraw/zinc/90/17/62/411901762.db2.gz JMRCUFVADGEFEF-UHFFFAOYSA-N 0 3 221.268 -0.670 20 0 BBADHN CCCC[C@H](CN)NC(=O)C(=O)N1CCC1 ZINC000420137869 192169164 /nfs/dbraw/zinc/16/91/64/192169164.db2.gz DYUJIPYDXSJJTB-SECBINFHSA-N 0 3 227.308 -0.148 20 0 BBADHN CCCC[C@@H](CN)NC(=O)C(=O)N1CCC1 ZINC000420137871 192169222 /nfs/dbraw/zinc/16/92/22/192169222.db2.gz DYUJIPYDXSJJTB-VIFPVBQESA-N 0 3 227.308 -0.148 20 0 BBADHN C[C@@H]([NH3+])CCN=c1nc2[nH][n-]cc-2c(N)n1 ZINC000420152147 411884212 /nfs/dbraw/zinc/88/42/12/411884212.db2.gz DJSZPPBHEIBWOG-RXMQYKEDSA-N 0 3 221.268 -0.542 20 0 BBADHN C[C@H]([NH3+])CCN=c1nc2[nH][n-]cc-2c(N)n1 ZINC000420152149 411919430 /nfs/dbraw/zinc/91/94/30/411919430.db2.gz DJSZPPBHEIBWOG-YFKPBYRVSA-N 0 3 221.268 -0.542 20 0 BBADHN C[NH2+][C@@H]1CCCN(c2nc3[nH][n-]cc-3c(=N)n2)C1 ZINC000420158060 192165203 /nfs/dbraw/zinc/16/52/03/192165203.db2.gz PULGCAGLNPENFF-SSDOTTSWSA-N 0 3 247.306 -0.095 20 0 BBADHN C[NH2+][C@H]1CCCN(c2nc3[nH][n-]cc-3c(=N)n2)C1 ZINC000420158061 192164622 /nfs/dbraw/zinc/16/46/22/192164622.db2.gz PULGCAGLNPENFF-ZETCQYMHSA-N 0 3 247.306 -0.095 20 0 BBADHN Nc1nc(=NC[C@@H]2CCC[NH2+]2)nc2[nH][n-]cc1-2 ZINC000420166919 411925466 /nfs/dbraw/zinc/92/54/66/411925466.db2.gz QMYJEAMWEOAUDM-LURJTMIESA-N 0 3 233.279 -0.528 20 0 BBADHN Nc1nc(=NC2CCC([NH3+])CC2)nc2[nH][n-]cc1-2 ZINC000420173387 411924456 /nfs/dbraw/zinc/92/44/56/411924456.db2.gz XCXCMVRTYZCQQC-UHFFFAOYSA-N 0 3 247.306 -0.010 20 0 BBADHN Nc1nc(=N[C@H]2CCC[NH2+]C2)nc2[nH][n-]cc1-2 ZINC000420179803 411923862 /nfs/dbraw/zinc/92/38/62/411923862.db2.gz GMNZDOLFWMEXIT-LURJTMIESA-N 0 3 233.279 -0.528 20 0 BBADHN Nc1nc(=N[C@@H]2CCC[NH2+]C2)nc2[nH][n-]cc1-2 ZINC000420179804 411923945 /nfs/dbraw/zinc/92/39/45/411923945.db2.gz GMNZDOLFWMEXIT-ZCFIWIBFSA-N 0 3 233.279 -0.528 20 0 BBADHN C[C@H]1C[NH2+]CCN1c1nc2[nH][n-]cc-2c(=N)n1 ZINC000420181209 192171985 /nfs/dbraw/zinc/17/19/85/192171985.db2.gz XPRGKRNWXQLBPI-LURJTMIESA-N 0 3 233.279 -0.485 20 0 BBADHN C[C@@H]1C[NH2+]CCN1c1nc2[nH][n-]cc-2c(=N)n1 ZINC000420181215 192171677 /nfs/dbraw/zinc/17/16/77/192171677.db2.gz XPRGKRNWXQLBPI-ZCFIWIBFSA-N 0 3 233.279 -0.485 20 0 BBADHN Nc1nc(=NC[C@@H]2CCC[NH2+]C2)nc2[nH][n-]cc1-2 ZINC000420181756 411925525 /nfs/dbraw/zinc/92/55/25/411925525.db2.gz YMNADSLKSAGWJI-SSDOTTSWSA-N 0 3 247.306 -0.280 20 0 BBADHN Nc1nc(NC[C@H]2CCC[NH2+]C2)nc2[n-]ncc21 ZINC000420181757 411925212 /nfs/dbraw/zinc/92/52/12/411925212.db2.gz YMNADSLKSAGWJI-ZETCQYMHSA-N 0 3 247.306 -0.280 20 0 BBADHN Nc1nc(=NCC[C@H]2CC[NH2+]C2)nc2[nH][n-]cc1-2 ZINC000420189209 411924877 /nfs/dbraw/zinc/92/48/77/411924877.db2.gz NUSRDVNOXOCKCO-SSDOTTSWSA-N 0 3 247.306 -0.280 20 0 BBADHN C[NH2+]C[C@H](C)CN=c1nc2[nH][n-]cc-2c(N)n1 ZINC000420190148 411900946 /nfs/dbraw/zinc/90/09/46/411900946.db2.gz GVOQJVCNZAAWCG-LURJTMIESA-N 0 3 235.295 -0.424 20 0 BBADHN C[NH2+]C[C@@H](C)CN=c1nc2[nH][n-]cc-2c(N)n1 ZINC000420190152 411901965 /nfs/dbraw/zinc/90/19/65/411901965.db2.gz GVOQJVCNZAAWCG-ZCFIWIBFSA-N 0 3 235.295 -0.424 20 0 BBADHN Nc1nc(=N[C@@H]2CCC[C@@H]2C[NH3+])nc2[nH][n-]cc1-2 ZINC000420191457 411977097 /nfs/dbraw/zinc/97/70/97/411977097.db2.gz HDPUNKRCUDKEIU-HTRCEHHLSA-N 0 3 247.306 -0.152 20 0 BBADHN Nc1nc(=N[C@@H]2CCC[C@H]2C[NH3+])nc2[nH][n-]cc1-2 ZINC000420191458 411288195 /nfs/dbraw/zinc/28/81/95/411288195.db2.gz HDPUNKRCUDKEIU-POYBYMJQSA-N 0 3 247.306 -0.152 20 0 BBADHN Nc1nc(=N[C@H]2CCC[C@@H]2C[NH3+])nc2[nH][n-]cc1-2 ZINC000420191459 411288269 /nfs/dbraw/zinc/28/82/69/411288269.db2.gz HDPUNKRCUDKEIU-SVRRBLITSA-N 0 3 247.306 -0.152 20 0 BBADHN Nc1nc(=N[C@H]2CCC[C@H]2C[NH3+])nc2[nH][n-]cc1-2 ZINC000420191460 411977337 /nfs/dbraw/zinc/97/73/37/411977337.db2.gz HDPUNKRCUDKEIU-XPUUQOCRSA-N 0 3 247.306 -0.152 20 0 BBADHN C[NH2+]C[C@@H](C)CN=c1ncnc2[nH][n-]cc1-2 ZINC000420195051 192173535 /nfs/dbraw/zinc/17/35/35/192173535.db2.gz KBAYFAWMHGAVTO-SSDOTTSWSA-N 0 3 220.280 -0.006 20 0 BBADHN C[NH2+]C[C@H](C)CN=c1ncnc2[nH][n-]cc1-2 ZINC000420195053 192173770 /nfs/dbraw/zinc/17/37/70/192173770.db2.gz KBAYFAWMHGAVTO-ZETCQYMHSA-N 0 3 220.280 -0.006 20 0 BBADHN C[C@H]1CN(c2nc3[nH][n-]cc-3c(=N)n2)CC[NH2+]1 ZINC000420195125 192173738 /nfs/dbraw/zinc/17/37/38/192173738.db2.gz KFXPLHWTQVHMLS-LURJTMIESA-N 0 3 233.279 -0.485 20 0 BBADHN C[C@@H]1CN(c2nc3[nH][n-]cc-3c(=N)n2)CC[NH2+]1 ZINC000420195128 192173470 /nfs/dbraw/zinc/17/34/70/192173470.db2.gz KFXPLHWTQVHMLS-ZCFIWIBFSA-N 0 3 233.279 -0.485 20 0 BBADHN C[NH2+]C[C@H]1CCCN1c1nc2[nH][n-]cc-2c(=N)n1 ZINC000420218846 192193568 /nfs/dbraw/zinc/19/35/68/192193568.db2.gz WXGCKBHLGMGQBK-SSDOTTSWSA-N 0 3 247.306 -0.095 20 0 BBADHN C[NH2+]C[C@@H]1CCCN1c1nc2[nH][n-]cc-2c(=N)n1 ZINC000420218847 192194132 /nfs/dbraw/zinc/19/41/32/192194132.db2.gz WXGCKBHLGMGQBK-ZETCQYMHSA-N 0 3 247.306 -0.095 20 0 BBADHN C[C@H](C[NH3+])CN=c1nc2[nH][n-]cc-2c(N)n1 ZINC000420222988 412200634 /nfs/dbraw/zinc/20/06/34/412200634.db2.gz YXKHQJVYNZLGBO-RXMQYKEDSA-N 0 3 221.268 -0.685 20 0 BBADHN C[C@@H](C[NH3+])CN=c1nc2[nH][n-]cc-2c(N)n1 ZINC000420222989 411881901 /nfs/dbraw/zinc/88/19/01/411881901.db2.gz YXKHQJVYNZLGBO-YFKPBYRVSA-N 0 3 221.268 -0.685 20 0 BBADHN C[C@H](CC[NH3+])N=c1nc2[nH][n-]cc-2c(N)n1 ZINC000420228613 411917990 /nfs/dbraw/zinc/91/79/90/411917990.db2.gz RPFXIHCLOFOBPA-RXMQYKEDSA-N 0 3 221.268 -0.542 20 0 BBADHN C[C@@H](CC[NH3+])N=c1nc2[nH][n-]cc-2c(N)n1 ZINC000420228614 411882155 /nfs/dbraw/zinc/88/21/55/411882155.db2.gz RPFXIHCLOFOBPA-YFKPBYRVSA-N 0 3 221.268 -0.542 20 0 BBADHN [NH3+]CCCCN=c1ncnc2[nH][n-]cc1-2 ZINC000420234497 192182436 /nfs/dbraw/zinc/18/24/36/192182436.db2.gz NRXPAPWCTGEQIS-UHFFFAOYSA-N 0 3 206.253 -0.123 20 0 BBADHN C[C@@H]1CC[NH2+]C[C@H]1N=c1nc2[nH][n-]cc-2c(N)n1 ZINC000420239667 411261329 /nfs/dbraw/zinc/26/13/29/411261329.db2.gz MOUWUDPWAFNXIX-HTRCEHHLSA-N 0 3 247.306 -0.282 20 0 BBADHN C[C@H]1CC[NH2+]C[C@H]1N=c1nc2[nH][n-]cc-2c(N)n1 ZINC000420239668 487958514 /nfs/dbraw/zinc/95/85/14/487958514.db2.gz MOUWUDPWAFNXIX-POYBYMJQSA-N 0 3 247.306 -0.282 20 0 BBADHN C[C@@H]1CC[NH2+]C[C@@H]1N=c1nc2[nH][n-]cc-2c(N)n1 ZINC000420239669 411907670 /nfs/dbraw/zinc/90/76/70/411907670.db2.gz MOUWUDPWAFNXIX-SVRRBLITSA-N 0 3 247.306 -0.282 20 0 BBADHN C[C@H]1CC[NH2+]C[C@@H]1N=c1nc2[nH][n-]cc-2c(N)n1 ZINC000420239670 411928974 /nfs/dbraw/zinc/92/89/74/411928974.db2.gz MOUWUDPWAFNXIX-XPUUQOCRSA-N 0 3 247.306 -0.282 20 0 BBADHN C[C@H]1CN(c2nc3[nH][n-]cc-3c(=N)n2)[C@@H](C)C[NH2+]1 ZINC000420242881 192184478 /nfs/dbraw/zinc/18/44/78/192184478.db2.gz XFGYNHDQZYOPDW-BQBZGAKWSA-N 0 3 247.306 -0.096 20 0 BBADHN C[C@@H]1C[NH2+][C@@H](C)CN1c1nc2[nH][n-]cc-2c(=N)n1 ZINC000420242883 192184810 /nfs/dbraw/zinc/18/48/10/192184810.db2.gz XFGYNHDQZYOPDW-NKWVEPMBSA-N 0 3 247.306 -0.096 20 0 BBADHN C[C@@H]1CN(c2nc3[nH][n-]cc-3c(=N)n2)[C@H](C)C[NH2+]1 ZINC000420242884 192184295 /nfs/dbraw/zinc/18/42/95/192184295.db2.gz XFGYNHDQZYOPDW-RNFRBKRXSA-N 0 3 247.306 -0.096 20 0 BBADHN C[C@@H]1CN(c2nc3[nH][n-]cc-3c(=N)n2)[C@@H](C)C[NH2+]1 ZINC000420242886 192185053 /nfs/dbraw/zinc/18/50/53/192185053.db2.gz XFGYNHDQZYOPDW-RQJHMYQMSA-N 0 3 247.306 -0.096 20 0 BBADHN Nc1nc(=NCCCC[NH3+])nc2[nH][n-]cc1-2 ZINC000420242895 411976836 /nfs/dbraw/zinc/97/68/36/411976836.db2.gz XGBCPQSPWJUHQX-UHFFFAOYSA-N 0 3 221.268 -0.541 20 0 BBADHN C[C@H]1[NH2+]CCC[C@H]1N=c1nc2[nH][n-]cc-2c(N)n1 ZINC000420251258 411932549 /nfs/dbraw/zinc/93/25/49/411932549.db2.gz VZUCTCILAZMNIA-HTRCEHHLSA-N 0 3 247.306 -0.139 20 0 BBADHN C[C@@H]1[NH2+]CCC[C@H]1N=c1nc2[nH][n-]cc-2c(N)n1 ZINC000420251260 411915555 /nfs/dbraw/zinc/91/55/55/411915555.db2.gz VZUCTCILAZMNIA-POYBYMJQSA-N 0 3 247.306 -0.139 20 0 BBADHN C[C@H]1[NH2+]CCC[C@@H]1N=c1nc2[nH][n-]cc-2c(N)n1 ZINC000420251261 411931572 /nfs/dbraw/zinc/93/15/72/411931572.db2.gz VZUCTCILAZMNIA-SVRRBLITSA-N 0 3 247.306 -0.139 20 0 BBADHN C[C@@H]1[NH2+]CCC[C@@H]1N=c1nc2[nH][n-]cc-2c(N)n1 ZINC000420251263 411915715 /nfs/dbraw/zinc/91/57/15/411915715.db2.gz VZUCTCILAZMNIA-XPUUQOCRSA-N 0 3 247.306 -0.139 20 0 BBADHN C[C@@H]([NH3+])[C@@H](C)N=c1ncnc2[nH][n-]cc1-2 ZINC000420255403 192187793 /nfs/dbraw/zinc/18/77/93/192187793.db2.gz BEKYSHKODIPIJQ-PHDIDXHHSA-N 0 3 206.253 -0.126 20 0 BBADHN C[C@@H]([NH3+])[C@H](C)N=c1ncnc2[nH][n-]cc1-2 ZINC000420255404 192188388 /nfs/dbraw/zinc/18/83/88/192188388.db2.gz BEKYSHKODIPIJQ-RITPCOANSA-N 0 3 206.253 -0.126 20 0 BBADHN C[C@H]([NH3+])[C@H](C)N=c1ncnc2[nH][n-]cc1-2 ZINC000420255405 192187553 /nfs/dbraw/zinc/18/75/53/192187553.db2.gz BEKYSHKODIPIJQ-WDSKDSINSA-N 0 3 206.253 -0.126 20 0 BBADHN Nc1nc(=N[C@H]2CC[C@H](C[NH3+])C2)nc2[nH][n-]cc1-2 ZINC000420265025 411975724 /nfs/dbraw/zinc/97/57/24/411975724.db2.gz DKRFGUKCXYSHPX-BQBZGAKWSA-N 0 3 247.306 -0.152 20 0 BBADHN Nc1nc(=N[C@@H]2CC[C@@H](C[NH3+])C2)nc2[nH][n-]cc1-2 ZINC000420265030 411975750 /nfs/dbraw/zinc/97/57/50/411975750.db2.gz DKRFGUKCXYSHPX-RNFRBKRXSA-N 0 3 247.306 -0.152 20 0 BBADHN C[C@@H](CCC[NH3+])N=c1nc2[nH][n-]cc-2c(N)n1 ZINC000420268786 411874634 /nfs/dbraw/zinc/87/46/34/411874634.db2.gz SJWPZFBMVFXQLK-LURJTMIESA-N 0 3 235.295 -0.152 20 0 BBADHN CC1(C)CN(c2nc3[nH][n-]cc-3c(=N)n2)CC[NH2+]1 ZINC000420283953 192200010 /nfs/dbraw/zinc/20/00/10/192200010.db2.gz UGBUCXKYGIYSRT-UHFFFAOYSA-N 0 3 247.306 -0.095 20 0 BBADHN C[C@@H]1CN(CC(=O)Nc2ccncc2)CCN1 ZINC000420334098 192214396 /nfs/dbraw/zinc/21/43/96/192214396.db2.gz IMDLVVRGVQTBNN-SNVBAGLBSA-N 0 3 234.303 -0.264 20 0 BBADHN C[C@H]1CN(CC(=O)Nc2ccncc2)CCN1 ZINC000420335311 192213803 /nfs/dbraw/zinc/21/38/03/192213803.db2.gz IMDLVVRGVQTBNN-JTQLQIEISA-N 0 3 234.303 -0.264 20 0 BBADHN CCc1ncc(S(=O)(=O)[N-]CC[NH3+])s1 ZINC000420402825 192237840 /nfs/dbraw/zinc/23/78/40/192237840.db2.gz JRBBMTINMLCLOQ-UHFFFAOYSA-N 0 3 235.334 -0.058 20 0 BBADHN CC(C)c1nc(S(=O)(=O)[N-]CC[NH3+])cn1C ZINC000420406823 387998688 /nfs/dbraw/zinc/99/86/88/387998688.db2.gz SFYHLXGYEWNOQE-UHFFFAOYSA-N 0 3 246.336 -0.220 20 0 BBADHN CC[NH2+]CC[N-]S(=O)(=O)c1c(C)onc1N ZINC000420410421 411860132 /nfs/dbraw/zinc/86/01/32/411860132.db2.gz AGSMFIRDDXCWJV-UHFFFAOYSA-N 0 3 248.308 -0.547 20 0 BBADHN C[C@@H]1CCCN1S(=O)(=O)N(C)C1CNC1 ZINC000420418413 192240483 /nfs/dbraw/zinc/24/04/83/192240483.db2.gz GNPXQAMFAFVOIX-MRVPVSSYSA-N 0 3 233.337 -0.381 20 0 BBADHN C[C@H]1CCCN1S(=O)(=O)N(C)C1CNC1 ZINC000420418415 192241097 /nfs/dbraw/zinc/24/10/97/192241097.db2.gz GNPXQAMFAFVOIX-QMMMGPOBSA-N 0 3 233.337 -0.381 20 0 BBADHN CCN(CC1CC1)S(=O)(=O)N(C)C1CNC1 ZINC000420420398 192240376 /nfs/dbraw/zinc/24/03/76/192240376.db2.gz JQBORPFQBJQUFM-UHFFFAOYSA-N 0 3 247.364 -0.133 20 0 BBADHN COC(C)(C)CS(=O)(=O)N(C)C1CNC1 ZINC000420420401 192241452 /nfs/dbraw/zinc/24/14/52/192241452.db2.gz JQMOPKWDTZZODX-UHFFFAOYSA-N 0 3 236.337 -0.355 20 0 BBADHN CCOC[C@@H](C)CS(=O)(=O)NCCNC ZINC000420426465 192243686 /nfs/dbraw/zinc/24/36/86/192243686.db2.gz VRRHIEOOZHEHNQ-SECBINFHSA-N 0 3 238.353 -0.202 20 0 BBADHN CCOC[C@H](C)CS(=O)(=O)NCCNC ZINC000420426466 192244170 /nfs/dbraw/zinc/24/41/70/192244170.db2.gz VRRHIEOOZHEHNQ-VIFPVBQESA-N 0 3 238.353 -0.202 20 0 BBADHN Cc1onc(N)c1S(=O)(=O)[N-]C(C)(C)C[NH3+] ZINC000420428516 411934944 /nfs/dbraw/zinc/93/49/44/411934944.db2.gz YXNFTDYDYKJHLS-UHFFFAOYSA-N 0 3 248.308 -0.419 20 0 BBADHN CNCCN(C)S(=O)(=O)NC1CCCC1 ZINC000420430180 192241967 /nfs/dbraw/zinc/24/19/67/192241967.db2.gz CEVWYLGPMWSOMV-UHFFFAOYSA-N 0 3 235.353 -0.085 20 0 BBADHN C[NH2+][C@H](C)C[N-]S(=O)(=O)c1c(C)onc1N ZINC000420433101 411893006 /nfs/dbraw/zinc/89/30/06/411893006.db2.gz PTOSTTGYLCSEJI-RXMQYKEDSA-N 0 3 248.308 -0.549 20 0 BBADHN C[NH2+][C@@H](C)C[N-]S(=O)(=O)c1c(C)onc1N ZINC000420433102 411904170 /nfs/dbraw/zinc/90/41/70/411904170.db2.gz PTOSTTGYLCSEJI-YFKPBYRVSA-N 0 3 248.308 -0.549 20 0 BBADHN Cc1onc(N)c1S(=O)(=O)[N-][C@H](C)[C@H](C)[NH3+] ZINC000420433655 411936495 /nfs/dbraw/zinc/93/64/95/411936495.db2.gz DAEOLNLGYHJVBV-CRCLSJGQSA-N 0 3 248.308 -0.421 20 0 BBADHN Cc1onc(N)c1S(=O)(=O)[N-][C@H](C)[C@@H](C)[NH3+] ZINC000420433660 411937218 /nfs/dbraw/zinc/93/72/18/411937218.db2.gz DAEOLNLGYHJVBV-RFZPGFLSSA-N 0 3 248.308 -0.421 20 0 BBADHN Cc1onc(N)c1S(=O)(=O)[N-][C@@H](C)[C@@H](C)[NH3+] ZINC000420433662 411938453 /nfs/dbraw/zinc/93/84/53/411938453.db2.gz DAEOLNLGYHJVBV-UHNVWZDZSA-N 0 3 248.308 -0.421 20 0 BBADHN Cc1onc(N)c1S(=O)(=O)[N-][C@@H](C)[C@H](C)[NH3+] ZINC000420433664 411272177 /nfs/dbraw/zinc/27/21/77/411272177.db2.gz DAEOLNLGYHJVBV-WHFBIAKZSA-N 0 3 248.308 -0.421 20 0 BBADHN CNCCN(C)S(=O)(=O)N1CCC[C@H]1C ZINC000420439340 192243319 /nfs/dbraw/zinc/24/33/19/192243319.db2.gz SHVVHRZUVFZNFE-SECBINFHSA-N 0 3 235.353 -0.133 20 0 BBADHN CNCCN(C)S(=O)(=O)N1CCC[C@@H]1C ZINC000420439341 192243086 /nfs/dbraw/zinc/24/30/86/192243086.db2.gz SHVVHRZUVFZNFE-VIFPVBQESA-N 0 3 235.353 -0.133 20 0 BBADHN Cc1onc(N)c1S(=O)(=O)[N-]CC(C)(C)[NH3+] ZINC000420439563 411268310 /nfs/dbraw/zinc/26/83/10/411268310.db2.gz BFBKFJFHLYALDD-UHFFFAOYSA-N 0 3 248.308 -0.419 20 0 BBADHN CC[C@H]([NH3+])C[N-]S(=O)(=O)c1c(C)onc1N ZINC000420441848 411885941 /nfs/dbraw/zinc/88/59/41/411885941.db2.gz OYIJXMOPDIVVKF-LURJTMIESA-N 0 3 248.308 -0.419 20 0 BBADHN CC[C@@H]([NH3+])C[N-]S(=O)(=O)c1c(C)onc1N ZINC000420441851 411878221 /nfs/dbraw/zinc/87/82/21/411878221.db2.gz OYIJXMOPDIVVKF-ZCFIWIBFSA-N 0 3 248.308 -0.419 20 0 BBADHN CNCCN(C)S(=O)(=O)CC(C)(C)OC ZINC000420443991 192243537 /nfs/dbraw/zinc/24/35/37/192243537.db2.gz YZMGZENPMMUNQY-UHFFFAOYSA-N 0 3 238.353 -0.108 20 0 BBADHN CCNS(=O)(=O)N(C)C[C@H]1CCCN1C ZINC000420774497 192259374 /nfs/dbraw/zinc/25/93/74/192259374.db2.gz YJGMDZJVIWLCSD-SECBINFHSA-N 0 3 235.353 -0.133 20 0 BBADHN CCNS(=O)(=O)N(C)C[C@@H]1CCCN1C ZINC000420774498 192259622 /nfs/dbraw/zinc/25/96/22/192259622.db2.gz YJGMDZJVIWLCSD-VIFPVBQESA-N 0 3 235.353 -0.133 20 0 BBADHN CNC(=O)NC(=O)CN(C)C[C@H]1CCCN1C ZINC000421012968 192301863 /nfs/dbraw/zinc/30/18/63/192301863.db2.gz UIJRSRJDZDTHNN-SECBINFHSA-N 0 3 242.323 -0.532 20 0 BBADHN CNC(=O)NC(=O)CN(C)C[C@@H]1CCCN1C ZINC000421012973 192302153 /nfs/dbraw/zinc/30/21/53/192302153.db2.gz UIJRSRJDZDTHNN-VIFPVBQESA-N 0 3 242.323 -0.532 20 0 BBADHN CN(C[C@H]1CCCN1C)C(=O)Cn1cnnn1 ZINC000421703527 192374708 /nfs/dbraw/zinc/37/47/08/192374708.db2.gz MPDZAHBCZZJVIF-SECBINFHSA-N 0 3 238.295 -0.774 20 0 BBADHN CN(C[C@@H]1CCCN1C)C(=O)Cn1cnnn1 ZINC000421703535 192375792 /nfs/dbraw/zinc/37/57/92/192375792.db2.gz MPDZAHBCZZJVIF-VIFPVBQESA-N 0 3 238.295 -0.774 20 0 BBADHN CN(C[C@H]1CCCN1C)C(=O)[C@H]1COCCO1 ZINC000421703966 192375154 /nfs/dbraw/zinc/37/51/54/192375154.db2.gz NQJGWOZZMQDIHJ-GHMZBOCLSA-N 0 3 242.319 -0.046 20 0 BBADHN CN(C[C@H]1CCCN1C)C(=O)[C@@H]1COCCO1 ZINC000421703967 192374669 /nfs/dbraw/zinc/37/46/69/192374669.db2.gz NQJGWOZZMQDIHJ-MNOVXSKESA-N 0 3 242.319 -0.046 20 0 BBADHN CN(C[C@@H]1CCCN1C)C(=O)[C@@H]1COCCO1 ZINC000421703968 192375217 /nfs/dbraw/zinc/37/52/17/192375217.db2.gz NQJGWOZZMQDIHJ-QWRGUYRKSA-N 0 3 242.319 -0.046 20 0 BBADHN CN(C[C@@H]1CCCN1C)C(=O)[C@H]1COCCO1 ZINC000421703969 192375273 /nfs/dbraw/zinc/37/52/73/192375273.db2.gz NQJGWOZZMQDIHJ-WDEREUQCSA-N 0 3 242.319 -0.046 20 0 BBADHN CN(C[C@@H]1CCCN1C)C(=O)[C@@]1(O)CCOC1 ZINC000422036855 387545510 /nfs/dbraw/zinc/54/55/10/387545510.db2.gz ODOSGDQGCILASS-CMPLNLGQSA-N 0 3 242.319 -0.310 20 0 BBADHN CN(C[C@@H]1CCCN1C)C(=O)[C@]1(O)CCOC1 ZINC000422036858 387546293 /nfs/dbraw/zinc/54/62/93/387546293.db2.gz ODOSGDQGCILASS-JQWIXIFHSA-N 0 3 242.319 -0.310 20 0 BBADHN CN(C[C@H]1CCCN1C)C(=O)[C@]1(O)CCOC1 ZINC000422036860 387545916 /nfs/dbraw/zinc/54/59/16/387545916.db2.gz ODOSGDQGCILASS-PWSUYJOCSA-N 0 3 242.319 -0.310 20 0 BBADHN CN(C[C@H]1CCCN1C)C(=O)[C@@]1(O)CCOC1 ZINC000422036862 387544989 /nfs/dbraw/zinc/54/49/89/387544989.db2.gz ODOSGDQGCILASS-ZYHUDNBSSA-N 0 3 242.319 -0.310 20 0 BBADHN NCC(F)(F)CNC(=O)[C@H](N)C1CCC1 ZINC000422534509 387594897 /nfs/dbraw/zinc/59/48/97/387594897.db2.gz AWJMBFCJYAHMCU-SSDOTTSWSA-N 0 3 221.251 -0.176 20 0 BBADHN NCC(F)(F)CNC(=O)[C@@H](N)C1CCC1 ZINC000422534510 387595329 /nfs/dbraw/zinc/59/53/29/387595329.db2.gz AWJMBFCJYAHMCU-ZETCQYMHSA-N 0 3 221.251 -0.176 20 0 BBADHN CC[C@H](CS(=O)(=O)N(C)C1CNC1)OC ZINC000422548131 387596942 /nfs/dbraw/zinc/59/69/42/387596942.db2.gz ASGDIMJMWGHQEE-SECBINFHSA-N 0 3 236.337 -0.355 20 0 BBADHN CC[C@@H](CS(=O)(=O)N(C)C1CNC1)OC ZINC000422548132 387597569 /nfs/dbraw/zinc/59/75/69/387597569.db2.gz ASGDIMJMWGHQEE-VIFPVBQESA-N 0 3 236.337 -0.355 20 0 BBADHN CC[C@H](CS(=O)(=O)N(C)CCNC)OC ZINC000422552034 387599364 /nfs/dbraw/zinc/59/93/64/387599364.db2.gz PDCBWRIICOILJE-SECBINFHSA-N 0 3 238.353 -0.108 20 0 BBADHN CC[C@@H](CS(=O)(=O)N(C)CCNC)OC ZINC000422552035 387599312 /nfs/dbraw/zinc/59/93/12/387599312.db2.gz PDCBWRIICOILJE-VIFPVBQESA-N 0 3 238.353 -0.108 20 0 BBADHN CN(C)c1nc(C(=O)NCCC[NH3+])cc(=O)[n-]1 ZINC000422712782 387626848 /nfs/dbraw/zinc/62/68/48/387626848.db2.gz ORRCUEYNASAQOP-UHFFFAOYSA-N 0 3 239.279 -0.673 20 0 BBADHN CCOC(=O)[C@@H]1NCC[C@H]1NCCN(C)CC ZINC000422722241 387633967 /nfs/dbraw/zinc/63/39/67/387633967.db2.gz XIHHAYKTQNWKCG-GHMZBOCLSA-N 0 3 243.351 -0.179 20 0 BBADHN CCOC(=O)[C@H]1NCC[C@H]1NCCN(C)CC 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ZINC000423712282 387403012 /nfs/dbraw/zinc/40/30/12/387403012.db2.gz CWTYLVKXFVJSIZ-OPRDCNLKSA-N 0 3 241.335 -0.094 20 0 BBADHN COC(=O)[C@H](C)CN(C)C(=O)COC1CNC1 ZINC000423732010 387405081 /nfs/dbraw/zinc/40/50/81/387405081.db2.gz SDGJFFTYBHXSSH-MRVPVSSYSA-N 0 3 244.291 -0.758 20 0 BBADHN COC(=O)[C@@H](C)CN(C)C(=O)COC1CNC1 ZINC000423732012 387404383 /nfs/dbraw/zinc/40/43/83/387404383.db2.gz SDGJFFTYBHXSSH-QMMMGPOBSA-N 0 3 244.291 -0.758 20 0 BBADHN CCN(CC(=O)OC)C(=O)[C@H]1C[C@H](F)CN1 ZINC000423735015 387405273 /nfs/dbraw/zinc/40/52/73/387405273.db2.gz BTVRORYRODVIOW-JGVFFNPUSA-N 0 3 232.255 -0.292 20 0 BBADHN CCN(CC(=O)OC)C(=O)C1(N)CCC1 ZINC000423738204 387405379 /nfs/dbraw/zinc/40/53/79/387405379.db2.gz FVZZCQGTYADZOT-UHFFFAOYSA-N 0 3 214.265 -0.111 20 0 BBADHN CO[C@@H]1CCC[C@H]1CNC(=O)COC1CNC1 ZINC000423743624 387407920 /nfs/dbraw/zinc/40/79/20/387407920.db2.gz KIDWJXAVYYYPLL-GXSJLCMTSA-N 0 3 242.319 -0.094 20 0 BBADHN CO[C@H]1CCC[C@@H]1CNC(=O)COC1CNC1 ZINC000423743625 387406537 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/nfs/dbraw/zinc/40/93/82/387409382.db2.gz SQYBKGTYMBPIAX-ZCFIWIBFSA-N 0 3 242.197 -0.103 20 0 BBADHN CCc1ncc(NC(=O)COC2CNC2)cn1 ZINC000423748356 387409813 /nfs/dbraw/zinc/40/98/13/387409813.db2.gz UHPVQGGYJFBCNG-UHFFFAOYSA-N 0 3 236.275 -0.034 20 0 BBADHN CC[C@H](N)C(=O)N(CC)CC(=O)OC ZINC000423749590 387409125 /nfs/dbraw/zinc/40/91/25/387409125.db2.gz WILOVNZZRXVZBJ-ZETCQYMHSA-N 0 3 202.254 -0.255 20 0 BBADHN CCN(CC(=O)OC)C(=O)[C@H](N)C(C)C ZINC000423751432 387409420 /nfs/dbraw/zinc/40/94/20/387409420.db2.gz YQPODYGZAQXZKJ-SECBINFHSA-N 0 3 216.281 -0.009 20 0 BBADHN CCN(CC(=O)OC)C(=O)[C@@H](N)C(C)C ZINC000423751433 387409373 /nfs/dbraw/zinc/40/93/73/387409373.db2.gz YQPODYGZAQXZKJ-VIFPVBQESA-N 0 3 216.281 -0.009 20 0 BBADHN C[NH2+]CCC(=O)Nc1c(C)[nH]c(=O)[n-]c1=O ZINC000423752988 387412675 /nfs/dbraw/zinc/41/26/75/387412675.db2.gz CZMMNTCUJIJJOI-UHFFFAOYSA-N 0 3 226.236 -0.256 20 0 BBADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)CN ZINC000423753654 387411474 /nfs/dbraw/zinc/41/14/74/387411474.db2.gz 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/nfs/dbraw/zinc/41/14/88/387411488.db2.gz JNLLBGDINKVQIZ-QMMMGPOBSA-N 0 3 232.280 -0.628 20 0 BBADHN CNCC(=O)N(C)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC000423756968 387411814 /nfs/dbraw/zinc/41/18/14/387411814.db2.gz CADUFFHBQWIJSG-PHIMTYICSA-N 0 3 243.351 -0.227 20 0 BBADHN Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)C[C@H](C)[NH3+] ZINC000423757211 387412729 /nfs/dbraw/zinc/41/27/29/387412729.db2.gz LATJUZZJPCBDIZ-BYPYZUCNSA-N 0 3 226.236 -0.128 20 0 BBADHN Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)C[C@@H](C)[NH3+] ZINC000423757212 387411204 /nfs/dbraw/zinc/41/12/04/387411204.db2.gz LATJUZZJPCBDIZ-SCSAIBSYSA-N 0 3 226.236 -0.128 20 0 BBADHN CCOC(=O)[C@H]1CCCN1C(=O)CNC ZINC000423757223 192829326 /nfs/dbraw/zinc/82/93/26/192829326.db2.gz LBKPIEGIMQHKJO-MRVPVSSYSA-N 0 3 214.265 -0.240 20 0 BBADHN CC(C)(C)[C@@H](O)CNC(=O)CCOC1CNC1 ZINC000423758205 387411142 /nfs/dbraw/zinc/41/11/42/387411142.db2.gz MKTISAONKPBKIE-JTQLQIEISA-N 0 3 244.335 -0.112 20 0 BBADHN CC(C)(C)[C@H](O)CNC(=O)CCOC1CNC1 ZINC000423758206 192828983 /nfs/dbraw/zinc/82/89/83/192828983.db2.gz MKTISAONKPBKIE-SNVBAGLBSA-N 0 3 244.335 -0.112 20 0 BBADHN COC(=O)CCN(C(=O)[C@@H](CN)OC)C(C)C ZINC000423760246 387414933 /nfs/dbraw/zinc/41/49/33/387414933.db2.gz PYURJULXHCTZTO-SECBINFHSA-N 0 3 246.307 -0.240 20 0 BBADHN COC(=O)CCN(C(=O)[C@H](CN)OC)C(C)C ZINC000423760247 192830314 /nfs/dbraw/zinc/83/03/14/192830314.db2.gz PYURJULXHCTZTO-VIFPVBQESA-N 0 3 246.307 -0.240 20 0 BBADHN Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)CC[NH3+] ZINC000423761436 387413364 /nfs/dbraw/zinc/41/33/64/387413364.db2.gz RTRGCSDAQOPRDJ-UHFFFAOYSA-N 0 3 212.209 -0.516 20 0 BBADHN Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)[C@H]1CC[NH2+]1 ZINC000423762051 387415760 /nfs/dbraw/zinc/41/57/60/387415760.db2.gz SNOQZPOQNVRGQI-RXMQYKEDSA-N 0 3 224.220 -0.503 20 0 BBADHN Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)[C@@H](C)C[NH3+] ZINC000423763743 387416594 /nfs/dbraw/zinc/41/65/94/387416594.db2.gz WIPHOFJPEFYABN-BYPYZUCNSA-N 0 3 226.236 -0.270 20 0 BBADHN Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)[C@H](C)C[NH3+] ZINC000423763744 387415927 /nfs/dbraw/zinc/41/59/27/387415927.db2.gz WIPHOFJPEFYABN-SCSAIBSYSA-N 0 3 226.236 -0.270 20 0 BBADHN C[C@@H]1CN(C(=O)COC2CNC2)C[C@H](C)O1 ZINC000423763938 387415902 /nfs/dbraw/zinc/41/59/02/387415902.db2.gz SDTHCXUFNGWJLQ-DTORHVGOSA-N 0 3 228.292 -0.389 20 0 BBADHN CCC[C@@H](N)C(=O)N(CCOC)CC(=O)OC ZINC000423764062 387416055 /nfs/dbraw/zinc/41/60/55/387416055.db2.gz WPLURMXRYSUIPQ-SECBINFHSA-N 0 3 246.307 -0.238 20 0 BBADHN CCC[C@H](N)C(=O)N(CCOC)CC(=O)OC ZINC000423764064 387416972 /nfs/dbraw/zinc/41/69/72/387416972.db2.gz WPLURMXRYSUIPQ-VIFPVBQESA-N 0 3 246.307 -0.238 20 0 BBADHN Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)[C@H]1CC[NH2+]C1 ZINC000423764115 387416808 /nfs/dbraw/zinc/41/68/08/387416808.db2.gz WTDIKECVEIFIIE-LURJTMIESA-N 0 3 238.247 -0.256 20 0 BBADHN Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)[C@@H]1CC[NH2+]C1 ZINC000423764117 387416240 /nfs/dbraw/zinc/41/62/40/387416240.db2.gz WTDIKECVEIFIIE-ZCFIWIBFSA-N 0 3 238.247 -0.256 20 0 BBADHN CCC[C@@H](N)C(=O)N1CCOC[C@H]1C(=O)OC ZINC000423764383 387416344 /nfs/dbraw/zinc/41/63/44/387416344.db2.gz XIDBHBIDTGLUEH-BDAKNGLRSA-N 0 3 244.291 -0.486 20 0 BBADHN CCC[C@H](N)C(=O)N1CCOC[C@@H]1C(=O)OC ZINC000423764384 387417006 /nfs/dbraw/zinc/41/70/06/387417006.db2.gz XIDBHBIDTGLUEH-DTWKUNHWSA-N 0 3 244.291 -0.486 20 0 BBADHN CCC[C@H](N)C(=O)N1CCOC[C@H]1C(=O)OC ZINC000423764386 387415628 /nfs/dbraw/zinc/41/56/28/387415628.db2.gz XIDBHBIDTGLUEH-IUCAKERBSA-N 0 3 244.291 -0.486 20 0 BBADHN CCC[C@@H](N)C(=O)N1CCOC[C@@H]1C(=O)OC ZINC000423764388 387417090 /nfs/dbraw/zinc/41/70/90/387417090.db2.gz XIDBHBIDTGLUEH-RKDXNWHRSA-N 0 3 244.291 -0.486 20 0 BBADHN Cc1[nH]c(=O)[n-]c(=O)c1NC(=O)CCC[NH3+] ZINC000423764751 387415579 /nfs/dbraw/zinc/41/55/79/387415579.db2.gz YCVIXZJNPOJUMX-UHFFFAOYSA-N 0 3 226.236 -0.126 20 0 BBADHN CC(C)[C@H]1CN(C(=O)COC2CNC2)CCO1 ZINC000423769790 192832928 /nfs/dbraw/zinc/83/29/28/192832928.db2.gz FIBVRLWXQRPVLN-LLVKDONJSA-N 0 3 242.319 -0.142 20 0 BBADHN CC(C)[C@@H]1CN(C(=O)COC2CNC2)CCO1 ZINC000423769791 387417721 /nfs/dbraw/zinc/41/77/21/387417721.db2.gz FIBVRLWXQRPVLN-NSHDSACASA-N 0 3 242.319 -0.142 20 0 BBADHN CCC[C@@H]1CN(C(=O)[C@@H](CN)OC)CCO1 ZINC000423769842 387417790 /nfs/dbraw/zinc/41/77/90/387417790.db2.gz FTQANZJXOLHZOY-NXEZZACHSA-N 0 3 230.308 -0.012 20 0 BBADHN CCC[C@H]1CN(C(=O)[C@H](CN)OC)CCO1 ZINC000423769843 387417974 /nfs/dbraw/zinc/41/79/74/387417974.db2.gz FTQANZJXOLHZOY-UWVGGRQHSA-N 0 3 230.308 -0.012 20 0 BBADHN CCC[C@H]1CN(C(=O)[C@@H](CN)OC)CCO1 ZINC000423769844 387419163 /nfs/dbraw/zinc/41/91/63/387419163.db2.gz FTQANZJXOLHZOY-VHSXEESVSA-N 0 3 230.308 -0.012 20 0 BBADHN CCC[C@@H]1CN(C(=O)[C@H](CN)OC)CCO1 ZINC000423769845 387418815 /nfs/dbraw/zinc/41/88/15/387418815.db2.gz FTQANZJXOLHZOY-ZJUUUORDSA-N 0 3 230.308 -0.012 20 0 BBADHN COC[C@@H](N)C(=O)N1CCN(C)C[C@@H]1C(C)C ZINC000423772403 387420673 /nfs/dbraw/zinc/42/06/73/387420673.db2.gz KIRIPPOOFZIMMQ-GHMZBOCLSA-N 0 3 243.351 -0.241 20 0 BBADHN COC[C@@H](N)C(=O)N1CCN(C)C[C@H]1C(C)C ZINC000423772404 387421098 /nfs/dbraw/zinc/42/10/98/387421098.db2.gz KIRIPPOOFZIMMQ-MNOVXSKESA-N 0 3 243.351 -0.241 20 0 BBADHN COC[C@H](N)C(=O)N1CCN(C)C[C@H]1C(C)C ZINC000423772405 387420859 /nfs/dbraw/zinc/42/08/59/387420859.db2.gz KIRIPPOOFZIMMQ-QWRGUYRKSA-N 0 3 243.351 -0.241 20 0 BBADHN COC[C@H](N)C(=O)N1CCN(C)C[C@@H]1C(C)C ZINC000423772406 387420987 /nfs/dbraw/zinc/42/09/87/387420987.db2.gz KIRIPPOOFZIMMQ-WDEREUQCSA-N 0 3 243.351 -0.241 20 0 BBADHN CO[C@H](CN)C(=O)N1CCO[C@@H](C(C)C)C1 ZINC000423772972 387420895 /nfs/dbraw/zinc/42/08/95/387420895.db2.gz LHOHWAJCDNGELD-NXEZZACHSA-N 0 3 230.308 -0.157 20 0 BBADHN CO[C@@H](CN)C(=O)N1CCO[C@H](C(C)C)C1 ZINC000423772973 387420787 /nfs/dbraw/zinc/42/07/87/387420787.db2.gz LHOHWAJCDNGELD-UWVGGRQHSA-N 0 3 230.308 -0.157 20 0 BBADHN CO[C@@H](CN)C(=O)N1CCO[C@@H](C(C)C)C1 ZINC000423772974 387420104 /nfs/dbraw/zinc/42/01/04/387420104.db2.gz LHOHWAJCDNGELD-VHSXEESVSA-N 0 3 230.308 -0.157 20 0 BBADHN CO[C@H](CN)C(=O)N1CCO[C@H](C(C)C)C1 ZINC000423772975 192833688 /nfs/dbraw/zinc/83/36/88/192833688.db2.gz LHOHWAJCDNGELD-ZJUUUORDSA-N 0 3 230.308 -0.157 20 0 BBADHN CO[C@H](CN)C(=O)N1CCN(C)C[C@@H]1C(C)C ZINC000423778304 387422434 /nfs/dbraw/zinc/42/24/34/387422434.db2.gz SQLRFLJWOHDKRY-GHMZBOCLSA-N 0 3 243.351 -0.241 20 0 BBADHN CO[C@@H](CN)C(=O)N1CCN(C)C[C@@H]1C(C)C ZINC000423778306 387423196 /nfs/dbraw/zinc/42/31/96/387423196.db2.gz SQLRFLJWOHDKRY-MNOVXSKESA-N 0 3 243.351 -0.241 20 0 BBADHN CO[C@@H](CN)C(=O)N1CCN(C)C[C@H]1C(C)C ZINC000423778307 387422259 /nfs/dbraw/zinc/42/22/59/387422259.db2.gz SQLRFLJWOHDKRY-QWRGUYRKSA-N 0 3 243.351 -0.241 20 0 BBADHN CO[C@H](CN)C(=O)N1CCN(C)C[C@H]1C(C)C ZINC000423778309 387421638 /nfs/dbraw/zinc/42/16/38/387421638.db2.gz SQLRFLJWOHDKRY-WDEREUQCSA-N 0 3 243.351 -0.241 20 0 BBADHN CNCC(=O)N1CCN(CC(C)C)C(=O)C1 ZINC000423779679 387424644 /nfs/dbraw/zinc/42/46/44/387424644.db2.gz FOKHFVSIAZCQRF-UHFFFAOYSA-N 0 3 227.308 -0.467 20 0 BBADHN CCCC[C@@H](N)C(=O)N[C@@H](COC)C(=O)OC ZINC000423780121 387425680 /nfs/dbraw/zinc/42/56/80/387425680.db2.gz FVKIKGJGAWRZSL-BDAKNGLRSA-N 0 3 246.307 -0.192 20 0 BBADHN CCCC[C@H](N)C(=O)N[C@H](COC)C(=O)OC ZINC000423780123 387425234 /nfs/dbraw/zinc/42/52/34/387425234.db2.gz FVKIKGJGAWRZSL-DTWKUNHWSA-N 0 3 246.307 -0.192 20 0 BBADHN CCCC[C@H](N)C(=O)N[C@@H](COC)C(=O)OC ZINC000423780124 192834901 /nfs/dbraw/zinc/83/49/01/192834901.db2.gz FVKIKGJGAWRZSL-IUCAKERBSA-N 0 3 246.307 -0.192 20 0 BBADHN CCCC[C@@H](N)C(=O)N[C@H](COC)C(=O)OC ZINC000423780125 387425420 /nfs/dbraw/zinc/42/54/20/387425420.db2.gz FVKIKGJGAWRZSL-RKDXNWHRSA-N 0 3 246.307 -0.192 20 0 BBADHN COC[C@@H](NC(=O)[C@@H](N)CC(C)C)C(=O)OC ZINC000423781289 192835342 /nfs/dbraw/zinc/83/53/42/192835342.db2.gz HRFDKYWOMUYLAR-DTWKUNHWSA-N 0 3 246.307 -0.336 20 0 BBADHN COC[C@H](NC(=O)[C@@H](N)CC(C)C)C(=O)OC ZINC000423781290 387425145 /nfs/dbraw/zinc/42/51/45/387425145.db2.gz HRFDKYWOMUYLAR-IUCAKERBSA-N 0 3 246.307 -0.336 20 0 BBADHN CO[C@@H]1CN(C(=O)COC2CNC2)CC[C@@H]1C ZINC000423781649 192835051 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CO[C@H](CN1CC[C@H](S(N)(=O)=O)C1)C1CC1 ZINC000425418478 385993377 /nfs/dbraw/zinc/99/33/77/385993377.db2.gz JFDDCLAZIKPAFY-VHSXEESVSA-N 0 3 248.348 -0.226 20 0 BBADHN CO[C@@H](CN1CC[C@@H](S(N)(=O)=O)C1)C1CC1 ZINC000425418480 385995194 /nfs/dbraw/zinc/99/51/94/385995194.db2.gz JFDDCLAZIKPAFY-ZJUUUORDSA-N 0 3 248.348 -0.226 20 0 BBADHN C[C@@H](O)CCN1CC[C@@H](NC(N)=O)C1 ZINC000425420025 385997357 /nfs/dbraw/zinc/99/73/57/385997357.db2.gz LRRQVQNJZUSVAL-HTQZYQBOSA-N 0 3 201.270 -0.500 20 0 BBADHN C[C@H](O)CCN1CC[C@@H](NC(N)=O)C1 ZINC000425420028 385998437 /nfs/dbraw/zinc/99/84/37/385998437.db2.gz LRRQVQNJZUSVAL-JGVFFNPUSA-N 0 3 201.270 -0.500 20 0 BBADHN C[C@@H](O)CCN1CC[C@H](NC(N)=O)C1 ZINC000425420030 385996886 /nfs/dbraw/zinc/99/68/86/385996886.db2.gz LRRQVQNJZUSVAL-SFYZADRCSA-N 0 3 201.270 -0.500 20 0 BBADHN C[C@H](O)CCN1CC[C@H](NC(N)=O)C1 ZINC000425420032 385996193 /nfs/dbraw/zinc/99/61/93/385996193.db2.gz LRRQVQNJZUSVAL-YUMQZZPRSA-N 0 3 201.270 -0.500 20 0 BBADHN C[C@@H](O)CCN(CCO)CCN1CCOCC1 ZINC000425421951 397803899 /nfs/dbraw/zinc/80/38/99/397803899.db2.gz MSZFCOIASKMLRD-GFCCVEGCSA-N 0 3 246.351 -0.616 20 0 BBADHN C[C@H](O)CCN(CCO)CCN1CCOCC1 ZINC000425421955 397803564 /nfs/dbraw/zinc/80/35/64/397803564.db2.gz MSZFCOIASKMLRD-LBPRGKRZSA-N 0 3 246.351 -0.616 20 0 BBADHN CNC(=O)N[C@H]1CCN(CC[C@@H](C)O)C1 ZINC000425430893 386033839 /nfs/dbraw/zinc/03/38/39/386033839.db2.gz GTHJRVOWSVWRFK-BDAKNGLRSA-N 0 3 215.297 -0.239 20 0 BBADHN CNC(=O)N[C@@H]1CCN(CC[C@H](C)O)C1 ZINC000425430895 191850862 /nfs/dbraw/zinc/85/08/62/191850862.db2.gz GTHJRVOWSVWRFK-DTWKUNHWSA-N 0 3 215.297 -0.239 20 0 BBADHN CNC(=O)N[C@H]1CCN(CC[C@H](C)O)C1 ZINC000425430897 386033632 /nfs/dbraw/zinc/03/36/32/386033632.db2.gz GTHJRVOWSVWRFK-IUCAKERBSA-N 0 3 215.297 -0.239 20 0 BBADHN CNC(=O)N[C@@H]1CCN(CC[C@@H](C)O)C1 ZINC000425430899 386033573 /nfs/dbraw/zinc/03/35/73/386033573.db2.gz GTHJRVOWSVWRFK-RKDXNWHRSA-N 0 3 215.297 -0.239 20 0 BBADHN C[C@@H](O)CCN1CCN(CCO)[C@H](C)C1 ZINC000425432710 386053959 /nfs/dbraw/zinc/05/39/59/386053959.db2.gz JAORFBVBTPPEGF-GHMZBOCLSA-N 0 3 216.325 -0.244 20 0 BBADHN C[C@H](O)CCN1CCN(CCO)[C@H](C)C1 ZINC000425432711 386052321 /nfs/dbraw/zinc/05/23/21/386052321.db2.gz JAORFBVBTPPEGF-MNOVXSKESA-N 0 3 216.325 -0.244 20 0 BBADHN C[C@H](O)CCN1CCN(CCO)[C@@H](C)C1 ZINC000425432712 386054243 /nfs/dbraw/zinc/05/42/43/386054243.db2.gz JAORFBVBTPPEGF-QWRGUYRKSA-N 0 3 216.325 -0.244 20 0 BBADHN C[C@@H](O)CCN1CCN(CCO)[C@@H](C)C1 ZINC000425432713 386052898 /nfs/dbraw/zinc/05/28/98/386052898.db2.gz JAORFBVBTPPEGF-WDEREUQCSA-N 0 3 216.325 -0.244 20 0 BBADHN C[C@@H](O)CCN1CCC[C@H]2C(=O)NC[C@H]21 ZINC000425448361 386083613 /nfs/dbraw/zinc/08/36/13/386083613.db2.gz UVPNALUERXQTCO-OPRDCNLKSA-N 0 3 212.293 -0.032 20 0 BBADHN CCN(CC[C@@H](C)O)[C@H]1CCNC1=O ZINC000425450044 386083094 /nfs/dbraw/zinc/08/30/94/386083094.db2.gz XTYQJAOLSBHRPH-BDAKNGLRSA-N 0 3 200.282 -0.032 20 0 BBADHN CCN(CC[C@H](C)O)[C@@H]1CCNC1=O ZINC000425450048 386082900 /nfs/dbraw/zinc/08/29/00/386082900.db2.gz XTYQJAOLSBHRPH-DTWKUNHWSA-N 0 3 200.282 -0.032 20 0 BBADHN CCN(CC[C@H](C)O)[C@H]1CCNC1=O ZINC000425450051 386083142 /nfs/dbraw/zinc/08/31/42/386083142.db2.gz XTYQJAOLSBHRPH-IUCAKERBSA-N 0 3 200.282 -0.032 20 0 BBADHN CCN(CC[C@@H](C)O)[C@@H]1CCNC1=O ZINC000425450054 386083085 /nfs/dbraw/zinc/08/30/85/386083085.db2.gz XTYQJAOLSBHRPH-RKDXNWHRSA-N 0 3 200.282 -0.032 20 0 BBADHN COC(=O)C1(O)CCN(CC[C@@H](C)O)CC1 ZINC000425453844 386094393 /nfs/dbraw/zinc/09/43/93/386094393.db2.gz FVQSPYNRKHPRDQ-SECBINFHSA-N 0 3 231.292 -0.243 20 0 BBADHN COC(=O)C1(O)CCN(CC[C@H](C)O)CC1 ZINC000425453845 386094033 /nfs/dbraw/zinc/09/40/33/386094033.db2.gz FVQSPYNRKHPRDQ-VIFPVBQESA-N 0 3 231.292 -0.243 20 0 BBADHN C[C@@H](O)CCN(C)[C@@]1(CO)CCOC1 ZINC000425455209 386094550 /nfs/dbraw/zinc/09/45/50/386094550.db2.gz HLBUUTZXEAGVQL-NXEZZACHSA-N 0 3 203.282 -0.160 20 0 BBADHN C[C@H](O)CCN(C)[C@]1(CO)CCOC1 ZINC000425455210 386097871 /nfs/dbraw/zinc/09/78/71/386097871.db2.gz 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ZINC000425501849 386183852 /nfs/dbraw/zinc/18/38/52/386183852.db2.gz GTBMQOUOOYYEFB-GHMZBOCLSA-N 0 3 240.307 -0.078 20 0 BBADHN COC[C@@H](O)CN1CCC[C@@H](n2ccnn2)C1 ZINC000425501850 386182968 /nfs/dbraw/zinc/18/29/68/386182968.db2.gz GTBMQOUOOYYEFB-MNOVXSKESA-N 0 3 240.307 -0.078 20 0 BBADHN COC[C@@H](O)CN1CCC[C@H](n2ccnn2)C1 ZINC000425501851 386182852 /nfs/dbraw/zinc/18/28/52/386182852.db2.gz GTBMQOUOOYYEFB-QWRGUYRKSA-N 0 3 240.307 -0.078 20 0 BBADHN COC[C@H](O)CN1CCC[C@H](n2ccnn2)C1 ZINC000425502152 386182553 /nfs/dbraw/zinc/18/25/53/386182553.db2.gz GTBMQOUOOYYEFB-WDEREUQCSA-N 0 3 240.307 -0.078 20 0 BBADHN OCCOCCN1CCC[C@@H](n2ccnn2)C1 ZINC000425513693 386287028 /nfs/dbraw/zinc/28/70/28/386287028.db2.gz OOLCMQCLRDXMDV-LLVKDONJSA-N 0 3 240.307 -0.076 20 0 BBADHN OCCOCCN1CCC[C@H](n2ccnn2)C1 ZINC000425513694 386288778 /nfs/dbraw/zinc/28/87/78/386288778.db2.gz OOLCMQCLRDXMDV-NSHDSACASA-N 0 3 240.307 -0.076 20 0 BBADHN CC(=O)[C@](C)(O)CN1CC[C@H](c2nnc[nH]2)C1 ZINC000425553182 386628522 /nfs/dbraw/zinc/62/85/22/386628522.db2.gz TYRXNNSGXXNVMN-GXSJLCMTSA-N 0 3 238.291 -0.066 20 0 BBADHN CC(=O)[C@@](C)(O)CN1CC[C@@H](c2nnc[nH]2)C1 ZINC000425553184 386628682 /nfs/dbraw/zinc/62/86/82/386628682.db2.gz TYRXNNSGXXNVMN-KOLCDFICSA-N 0 3 238.291 -0.066 20 0 BBADHN CC(=O)[C@](C)(O)CN1CC[C@@H](c2nnc[nH]2)C1 ZINC000425553185 386626887 /nfs/dbraw/zinc/62/68/87/386626887.db2.gz TYRXNNSGXXNVMN-MWLCHTKSSA-N 0 3 238.291 -0.066 20 0 BBADHN CC(=O)[C@@](C)(O)CN1CC[C@H](c2nnc[nH]2)C1 ZINC000425553187 386627447 /nfs/dbraw/zinc/62/74/47/386627447.db2.gz TYRXNNSGXXNVMN-ONGXEEELSA-N 0 3 238.291 -0.066 20 0 BBADHN CN1CCC(NC(=O)N[C@@H]2CC[C@H]2O)CC1 ZINC000425645193 192074672 /nfs/dbraw/zinc/07/46/72/192074672.db2.gz OINFLMIMIULIGF-NXEZZACHSA-N 0 3 227.308 -0.097 20 0 BBADHN COCCN(C)CCNC(=O)N[C@@H]1CC[C@H]1O ZINC000425667975 192075867 /nfs/dbraw/zinc/07/58/67/192075867.db2.gz HXXGTNVFPJSIJX-NXEZZACHSA-N 0 3 245.323 -0.613 20 0 BBADHN CN(CCNC(=O)N[C@@H]1CC[C@H]1O)C1CC1 ZINC000425680388 387780697 /nfs/dbraw/zinc/78/06/97/387780697.db2.gz ZEISLHFLDWFPHB-NXEZZACHSA-N 0 3 227.308 -0.097 20 0 BBADHN CN(C)CCOCCNC(=O)N[C@@H]1CC[C@H]1O ZINC000425748865 224851305 /nfs/dbraw/zinc/85/13/05/224851305.db2.gz WURSTFXYVQYVLP-NXEZZACHSA-N 0 3 245.323 -0.613 20 0 BBADHN C[C@@H](CNC(=O)N[C@@H]1CC[C@H]1O)N(C)C ZINC000425771519 387530361 /nfs/dbraw/zinc/53/03/61/387530361.db2.gz SZXQOTUFHUDMDG-DJLDLDEBSA-N 0 3 215.297 -0.241 20 0 BBADHN C[C@@H](CN(C)C)NC(=O)N[C@@H]1CC[C@H]1O ZINC000425781491 387529444 /nfs/dbraw/zinc/52/94/44/387529444.db2.gz NNNAUSZNVXYNGU-DJLDLDEBSA-N 0 3 215.297 -0.241 20 0 BBADHN CC[C@@]1(O)CCN([C@H](C)C(=O)NC(N)=O)C1 ZINC000425917539 386629560 /nfs/dbraw/zinc/62/95/60/386629560.db2.gz LJZHCGBSOFFAFF-GMSGAONNSA-N 0 3 229.280 -0.583 20 0 BBADHN CC[C@@]1(O)CCN([C@@H](C)C(=O)NC(N)=O)C1 ZINC000425917542 386628386 /nfs/dbraw/zinc/62/83/86/386628386.db2.gz LJZHCGBSOFFAFF-OIBJUYFYSA-N 0 3 229.280 -0.583 20 0 BBADHN CC[C@]1(O)CCN([C@H](C)C(=O)NC(N)=O)C1 ZINC000425917543 386629069 /nfs/dbraw/zinc/62/90/69/386629069.db2.gz LJZHCGBSOFFAFF-XCBNKYQSSA-N 0 3 229.280 -0.583 20 0 BBADHN CC[C@]1(O)CCN([C@@H](C)C(=O)NC(N)=O)C1 ZINC000425917545 386630436 /nfs/dbraw/zinc/63/04/36/386630436.db2.gz LJZHCGBSOFFAFF-XVKPBYJWSA-N 0 3 229.280 -0.583 20 0 BBADHN COCCN(C)CCNC(=O)CCCC(N)=O ZINC000425943962 386753654 /nfs/dbraw/zinc/75/36/54/386753654.db2.gz UNJPZVHQLDROLQ-UHFFFAOYSA-N 0 3 245.323 -0.664 20 0 BBADHN C[C@@H](C(=O)NC(N)=O)N(C)[C@@H]1CCCC[C@H]1O ZINC000426198112 387549147 /nfs/dbraw/zinc/54/91/47/387549147.db2.gz GRRRWSGTOLWGFM-DJLDLDEBSA-N 0 3 243.307 -0.195 20 0 BBADHN CN(C)CCOCCNC(=O)NCCCCO ZINC000426212412 398215799 /nfs/dbraw/zinc/21/57/99/398215799.db2.gz HLFPRIDWQNQVBI-UHFFFAOYSA-N 0 3 247.339 -0.364 20 0 BBADHN CNC(=O)CCN1CC[C@@H](C)C[C@H]1C(N)=O ZINC000426271563 387552104 /nfs/dbraw/zinc/55/21/04/387552104.db2.gz PCEKHHXWUCWOCO-BDAKNGLRSA-N 0 3 227.308 -0.292 20 0 BBADHN CNC(=O)CCN1CC[C@H](C)C[C@@H]1C(N)=O ZINC000426271564 387551124 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BBADHN CCOCC[C@@H](O)CN(CC(N)=O)C(C)C ZINC000444589850 193052183 /nfs/dbraw/zinc/05/21/83/193052183.db2.gz KJPZENMETIZICG-SNVBAGLBSA-N 0 3 232.324 -0.030 20 0 BBADHN CCOCC[C@@H](O)CN1CCC[C@@H]1C(=O)NC ZINC000444593687 193051950 /nfs/dbraw/zinc/05/19/50/193051950.db2.gz RIOFGBCITTUERY-GHMZBOCLSA-N 0 3 244.335 -0.016 20 0 BBADHN CCOCC[C@@H](O)CN1CCC[C@H]1C(=O)NC ZINC000444593688 193052006 /nfs/dbraw/zinc/05/20/06/193052006.db2.gz RIOFGBCITTUERY-MNOVXSKESA-N 0 3 244.335 -0.016 20 0 BBADHN CCOCC[C@H](O)CN1CCC[C@H]1C(=O)NC ZINC000444593689 193051652 /nfs/dbraw/zinc/05/16/52/193051652.db2.gz RIOFGBCITTUERY-QWRGUYRKSA-N 0 3 244.335 -0.016 20 0 BBADHN CCOCC[C@H](O)CN1CCC[C@@H]1C(=O)NC ZINC000444593690 193052347 /nfs/dbraw/zinc/05/23/47/193052347.db2.gz RIOFGBCITTUERY-WDEREUQCSA-N 0 3 244.335 -0.016 20 0 BBADHN CCOCC[C@H](O)CN(CCO)CCO ZINC000444599546 193050825 /nfs/dbraw/zinc/05/08/25/193050825.db2.gz ASHIETNNTOTQQZ-JTQLQIEISA-N 0 3 221.297 -0.940 20 0 BBADHN CCOCC[C@@H](O)CN(CCO)CCO ZINC000444599547 193050378 /nfs/dbraw/zinc/05/03/78/193050378.db2.gz ASHIETNNTOTQQZ-SNVBAGLBSA-N 0 3 221.297 -0.940 20 0 BBADHN CCOCC[C@H](O)CN1CC[C@H](O)C1 ZINC000444623229 387894098 /nfs/dbraw/zinc/89/40/98/387894098.db2.gz XQQYUBVTHBJLKI-UWVGGRQHSA-N 0 3 203.282 -0.160 20 0 BBADHN CCOCC[C@@H](O)CN1CC[C@H](O)C1 ZINC000444623231 387892343 /nfs/dbraw/zinc/89/23/43/387892343.db2.gz XQQYUBVTHBJLKI-VHSXEESVSA-N 0 3 203.282 -0.160 20 0 BBADHN CCOCC[C@@H](O)CN1CC[C@@H](O)C1 ZINC000444627335 387895568 /nfs/dbraw/zinc/89/55/68/387895568.db2.gz XQQYUBVTHBJLKI-NXEZZACHSA-N 0 3 203.282 -0.160 20 0 BBADHN CCOCC[C@H](O)CN1CC[C@@H](O)C1 ZINC000444627336 387895579 /nfs/dbraw/zinc/89/55/79/387895579.db2.gz XQQYUBVTHBJLKI-ZJUUUORDSA-N 0 3 203.282 -0.160 20 0 BBADHN CCOCC[C@@H](O)CN(C)CC(C)(CO)CO ZINC000444647280 387899112 /nfs/dbraw/zinc/89/91/12/387899112.db2.gz KUCXXYNPMPYGMF-LLVKDONJSA-N 0 3 249.351 -0.303 20 0 BBADHN CCOCC[C@H](O)CN(C)CC(C)(CO)CO ZINC000444647281 387898558 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ZINC000491904006 388326990 /nfs/dbraw/zinc/32/69/90/388326990.db2.gz IWBYEHSNLWPSMX-ONEGZZNKSA-N 0 3 230.333 -0.305 20 0 BBADHN CN(C)C/C=C/C(=O)NC[C@H]1COCCO1 ZINC000491905984 388327111 /nfs/dbraw/zinc/32/71/11/388327111.db2.gz OBSDVWACJZOBTR-FSIBCCDJSA-N 0 3 228.292 -0.364 20 0 BBADHN CN(C)C/C=C/C(=O)NC[C@@H]1COCCO1 ZINC000491905985 388327237 /nfs/dbraw/zinc/32/72/37/388327237.db2.gz OBSDVWACJZOBTR-HMDXOVGESA-N 0 3 228.292 -0.364 20 0 BBADHN CN(C)C/C=C\C(=O)NC[C@@H]1COCCO1 ZINC000491905987 388327213 /nfs/dbraw/zinc/32/72/13/388327213.db2.gz OBSDVWACJZOBTR-UMBAGQNISA-N 0 3 228.292 -0.364 20 0 BBADHN CN(C)C/C=C\C(=O)NC[C@H]1COCCO1 ZINC000491905988 388327105 /nfs/dbraw/zinc/32/71/05/388327105.db2.gz OBSDVWACJZOBTR-XOULXFPDSA-N 0 3 228.292 -0.364 20 0 BBADHN CN(C)C/C=C\C(=O)NCCn1cncn1 ZINC000491906091 224658461 /nfs/dbraw/zinc/65/84/61/224658461.db2.gz OJUNOWVMSJLTDM-ARJAWSKDSA-N 0 3 223.280 -0.488 20 0 BBADHN CN(C)C/C=C/C(=O)NCCn1cncn1 ZINC000491906101 224658447 /nfs/dbraw/zinc/65/84/47/224658447.db2.gz OJUNOWVMSJLTDM-ONEGZZNKSA-N 0 3 223.280 -0.488 20 0 BBADHN CN(C)C/C=C\C(=O)NCC(C)(C)O ZINC000491932382 388328330 /nfs/dbraw/zinc/32/83/30/388328330.db2.gz DEKQLPSPRJMDLM-WAYWQWQTSA-N 0 3 200.282 -0.009 20 0 BBADHN COC[C@H]1CN(C(=O)/C=C\CN(C)C)CCO1 ZINC000491939074 388328701 /nfs/dbraw/zinc/32/87/01/388328701.db2.gz NMQYAYTUQDHRTO-DOGVGXBMSA-N 0 3 242.319 -0.022 20 0 BBADHN COC[C@@H]1CN(C(=O)/C=C\CN(C)C)CCO1 ZINC000491939075 388328552 /nfs/dbraw/zinc/32/85/52/388328552.db2.gz NMQYAYTUQDHRTO-WYGGZMRJSA-N 0 3 242.319 -0.022 20 0 BBADHN CN(C)C/C=C\C(=O)N1CC[C@@](C)(C(N)=O)C1 ZINC000491967280 388330050 /nfs/dbraw/zinc/33/00/50/388330050.db2.gz VZSREIBAHUFEGP-QMAVJUDZSA-N 0 3 239.319 -0.172 20 0 BBADHN CN(C)C/C=C\C(=O)N1CC[C@](C)(C(N)=O)C1 ZINC000491967281 388330033 /nfs/dbraw/zinc/33/00/33/388330033.db2.gz VZSREIBAHUFEGP-RXNFCKPNSA-N 0 3 239.319 -0.172 20 0 BBADHN COCCCN(CCO)C(=O)/C=C\CN(C)C ZINC000491972317 388330181 /nfs/dbraw/zinc/33/01/81/388330181.db2.gz KAPHDJPSKSALSK-XQRVVYSFSA-N 0 3 244.335 -0.038 20 0 BBADHN CN(C)C/C=C/C(=O)N[C@H]1[C@@H]2COC[C@@H]21 ZINC000491988861 388330639 /nfs/dbraw/zinc/33/06/39/388330639.db2.gz DZLWUMAJZXWGAH-OEUQMXQUSA-N 0 3 210.277 -0.135 20 0 BBADHN CN(C)C/C=C\C(=O)N[C@H]1[C@@H]2COC[C@@H]21 ZINC000491988862 388330716 /nfs/dbraw/zinc/33/07/16/388330716.db2.gz DZLWUMAJZXWGAH-RWMRXOHLSA-N 0 3 210.277 -0.135 20 0 BBADHN COC(=O)N1CC(NC(=O)/C=C\CN(C)C)C1 ZINC000492000485 388331157 /nfs/dbraw/zinc/33/11/57/388331157.db2.gz LPGOYTRHEYRYSB-PLNGDYQASA-N 0 3 241.291 -0.329 20 0 BBADHN CN(C)C/C=C\C(=O)N1CC(CC(N)=O)C1 ZINC000492016896 388331736 /nfs/dbraw/zinc/33/17/36/388331736.db2.gz HYIKAFFISAEWFF-ARJAWSKDSA-N 0 3 225.292 -0.562 20 0 BBADHN C[C@@H]1CN(C(=O)/C=C\CN(C)C)C[C@@H](CO)O1 ZINC000492030501 388332006 /nfs/dbraw/zinc/33/20/06/388332006.db2.gz JMOXNEAONLBNJP-KWKBKKAHSA-N 0 3 242.319 -0.288 20 0 BBADHN C[C@@H]1CN(C(=O)/C=C\CN(C)C)C[C@H](CO)O1 ZINC000492030502 388332208 /nfs/dbraw/zinc/33/22/08/388332208.db2.gz JMOXNEAONLBNJP-WQMVXFAESA-N 0 3 242.319 -0.288 20 0 BBADHN C[C@@H]1CN(C(=O)/C=C/CN(C)C)C[C@H](CO)O1 ZINC000492030503 388332214 /nfs/dbraw/zinc/33/22/14/388332214.db2.gz JMOXNEAONLBNJP-XKFHPXPTSA-N 0 3 242.319 -0.288 20 0 BBADHN C[C@@H]1CN(C(=O)/C=C/CN(C)C)C[C@@H](CO)O1 ZINC000492030504 388332181 /nfs/dbraw/zinc/33/21/81/388332181.db2.gz JMOXNEAONLBNJP-ZJRFNNFUSA-N 0 3 242.319 -0.288 20 0 BBADHN CC(=O)NC1CN(C(=O)/C=C\CN(C)C)C1 ZINC000492035232 388332404 /nfs/dbraw/zinc/33/24/04/388332404.db2.gz VXWGYDLGQOUGJM-PLNGDYQASA-N 0 3 225.292 -0.549 20 0 BBADHN CCN(CC(N)=O)C(=O)/C=C\CN(C)C ZINC000492040210 388332396 /nfs/dbraw/zinc/33/23/96/388332396.db2.gz KUYZRYMQHWRXME-WAYWQWQTSA-N 0 3 213.281 -0.562 20 0 BBADHN C[C@@H]1C(=O)NCCCN1C(=O)/C=C\CN(C)C ZINC000492040948 388332700 /nfs/dbraw/zinc/33/27/00/388332700.db2.gz JZPRUVOHJQMVPZ-AYYIZTPMSA-N 0 3 239.319 -0.159 20 0 BBADHN C[C@H]1C(=O)NCCCN1C(=O)/C=C\CN(C)C ZINC000492040949 388332662 /nfs/dbraw/zinc/33/26/62/388332662.db2.gz JZPRUVOHJQMVPZ-OAQKJQOQSA-N 0 3 239.319 -0.159 20 0 BBADHN CC(=O)N1CC(NC(=O)/C=C\CN(C)C)C1 ZINC000492043229 388332517 /nfs/dbraw/zinc/33/25/17/388332517.db2.gz QVSHXYNHMCKYHP-PLNGDYQASA-N 0 3 225.292 -0.549 20 0 BBADHN CC(=O)N1CC(NC(=O)/C=C/CN(C)C)C1 ZINC000492043230 388332593 /nfs/dbraw/zinc/33/25/93/388332593.db2.gz QVSHXYNHMCKYHP-SNAWJCMRSA-N 0 3 225.292 -0.549 20 0 BBADHN COC(=O)NCC(=O)NCCN1CC[C@@H](C)C1 ZINC000492045249 388332653 /nfs/dbraw/zinc/33/26/53/388332653.db2.gz JEQGZHAYRLVWQT-SECBINFHSA-N 0 3 243.307 -0.200 20 0 BBADHN COC(=O)NCC(=O)NCCN1CC[C@H](C)C1 ZINC000492045254 388332533 /nfs/dbraw/zinc/33/25/33/388332533.db2.gz JEQGZHAYRLVWQT-VIFPVBQESA-N 0 3 243.307 -0.200 20 0 BBADHN CNC(=O)[C@@H](C)CN(C)C(=O)/C=C\CN(C)C ZINC000492047158 388332819 /nfs/dbraw/zinc/33/28/19/388332819.db2.gz XXBJTFFBFSMMBA-GFVADAIESA-N 0 3 241.335 -0.055 20 0 BBADHN CNC(=O)[C@H](C)CN(C)C(=O)/C=C\CN(C)C ZINC000492047159 388332936 /nfs/dbraw/zinc/33/29/36/388332936.db2.gz XXBJTFFBFSMMBA-JYESYGNLSA-N 0 3 241.335 -0.055 20 0 BBADHN CN(C)C/C=C/C(=O)N[C@@H]1CCCN(C)C1=O ZINC000492053053 388333141 /nfs/dbraw/zinc/33/31/41/388333141.db2.gz XJWRCCYMAYREDX-BREXMAIKSA-N 0 3 239.319 -0.159 20 0 BBADHN CN(C)C/C=C\C(=O)N[C@H]1CCCN(C)C1=O ZINC000492053054 225917380 /nfs/dbraw/zinc/91/73/80/225917380.db2.gz XJWRCCYMAYREDX-BXKUYDPTSA-N 0 3 239.319 -0.159 20 0 BBADHN CN(C)C/C=C\C(=O)N[C@@H]1CCCN(C)C1=O ZINC000492053055 388332965 /nfs/dbraw/zinc/33/29/65/388332965.db2.gz XJWRCCYMAYREDX-ONRRBMGISA-N 0 3 239.319 -0.159 20 0 BBADHN CN(C)C/C=C/C(=O)N[C@H]1CCCN(C)C1=O ZINC000492053056 388332975 /nfs/dbraw/zinc/33/29/75/388332975.db2.gz XJWRCCYMAYREDX-STUBTGCMSA-N 0 3 239.319 -0.159 20 0 BBADHN CCNC(=O)C1CN(C(=O)/C=C/CN(C)C)C1 ZINC000492054874 388332973 /nfs/dbraw/zinc/33/29/73/388332973.db2.gz ABAJAPSKGUZSDZ-AATRIKPKSA-N 0 3 239.319 -0.301 20 0 BBADHN CCNC(=O)C1CN(C(=O)/C=C\CN(C)C)C1 ZINC000492054876 388333005 /nfs/dbraw/zinc/33/30/05/388333005.db2.gz ABAJAPSKGUZSDZ-WAYWQWQTSA-N 0 3 239.319 -0.301 20 0 BBADHN CN(C)C/C=C\C(=O)N1CCN(CCO)CC1 ZINC000492056859 388333193 /nfs/dbraw/zinc/33/31/93/388333193.db2.gz JMTPQNRHRYHEDD-ARJAWSKDSA-N 0 3 241.335 -0.759 20 0 BBADHN C[C@@H](NC(=O)/C=C\CN(C)C)C(=O)N(C)C ZINC000492072410 388333811 /nfs/dbraw/zinc/33/38/11/388333811.db2.gz IYBLEYIHPAONSR-ATJFRQLMSA-N 0 3 227.308 -0.303 20 0 BBADHN COC(=O)NCC(=O)NCC1(N(C)C)CCC1 ZINC000492076600 388333825 /nfs/dbraw/zinc/33/38/25/388333825.db2.gz BJRRJUOSNNJTTF-UHFFFAOYSA-N 0 3 243.307 -0.057 20 0 BBADHN CNC(=O)[C@@H](C)NC(=O)/C=C/CN(C)C ZINC000492104756 388335287 /nfs/dbraw/zinc/33/52/87/388335287.db2.gz VHSOWZDCTQFZKZ-HQZHTGGTSA-N 0 3 213.281 -0.645 20 0 BBADHN CNC(=O)[C@@H](C)NC(=O)/C=C\CN(C)C ZINC000492104758 388335172 /nfs/dbraw/zinc/33/51/72/388335172.db2.gz VHSOWZDCTQFZKZ-RPSMYOMKSA-N 0 3 213.281 -0.645 20 0 BBADHN COCCOC1CN(C(=O)/C=C\CN(C)C)C1 ZINC000492106796 388335213 /nfs/dbraw/zinc/33/52/13/388335213.db2.gz GVTVWKKVZMUNCW-PLNGDYQASA-N 0 3 242.319 -0.022 20 0 BBADHN COCCOC1CN(C(=O)/C=C/CN(C)C)C1 ZINC000492106797 388335181 /nfs/dbraw/zinc/33/51/81/388335181.db2.gz GVTVWKKVZMUNCW-SNAWJCMRSA-N 0 3 242.319 -0.022 20 0 BBADHN CSC[C@H](O)CN(C)CCNC(=O)N(C)C ZINC000492109011 388335142 /nfs/dbraw/zinc/33/51/42/388335142.db2.gz RFMJLAOUGUUKAY-SECBINFHSA-N 0 3 249.380 -0.087 20 0 BBADHN CSC[C@@H](O)CN(C)CCNC(=O)N(C)C ZINC000492109012 388335229 /nfs/dbraw/zinc/33/52/29/388335229.db2.gz RFMJLAOUGUUKAY-VIFPVBQESA-N 0 3 249.380 -0.087 20 0 BBADHN COC(=O)[C@@H](C)NC(=O)/C=C\CN(C)C ZINC000492116022 534227650 /nfs/dbraw/zinc/22/76/50/534227650.db2.gz VUEUPAITBSBECY-RPSMYOMKSA-N 0 3 214.265 -0.218 20 0 BBADHN CN(C)C/C=C\C(=O)NC[C@@H](O)C1CC1 ZINC000492159993 388336832 /nfs/dbraw/zinc/33/68/32/388336832.db2.gz DYBQKWPTYGQUIG-UMBAGQNISA-N 0 3 212.293 -0.009 20 0 BBADHN CN(C)C/C=C\C(=O)NC[C@H](O)C1CC1 ZINC000492159994 388336943 /nfs/dbraw/zinc/33/69/43/388336943.db2.gz DYBQKWPTYGQUIG-XOULXFPDSA-N 0 3 212.293 -0.009 20 0 BBADHN CN(C)C/C=C\C(=O)NCCOCCO ZINC000492184661 388337760 /nfs/dbraw/zinc/33/77/60/388337760.db2.gz MVTBNPYVHPXLNE-ARJAWSKDSA-N 0 3 216.281 -0.771 20 0 BBADHN CN(C)C/C=C/C(=O)NCCOCCO ZINC000492184662 388337748 /nfs/dbraw/zinc/33/77/48/388337748.db2.gz MVTBNPYVHPXLNE-ONEGZZNKSA-N 0 3 216.281 -0.771 20 0 BBADHN CNC(=O)C(C)(C)CNC(=O)/C=C\CN(C)C ZINC000492185847 388337792 /nfs/dbraw/zinc/33/77/92/388337792.db2.gz XAQPBXKQSHCGKQ-SREVYHEPSA-N 0 3 241.335 -0.007 20 0 BBADHN CN(C)C/C=C/C(=O)NCCN1CCC1 ZINC000492192042 388337900 /nfs/dbraw/zinc/33/79/00/388337900.db2.gz XLGQSFWIUAFORO-HWKANZROSA-N 0 3 211.309 -0.074 20 0 BBADHN CN(C)C/C=C\C(=O)NCCN1CCC1 ZINC000492192043 388338091 /nfs/dbraw/zinc/33/80/91/388338091.db2.gz XLGQSFWIUAFORO-HYXAFXHYSA-N 0 3 211.309 -0.074 20 0 BBADHN C[C@@H](O)CCNC(=O)/C=C\CN(C)C ZINC000492197406 388337890 /nfs/dbraw/zinc/33/78/90/388337890.db2.gz FEJMISBAEUWFJQ-XRVBUDJMSA-N 0 3 200.282 -0.009 20 0 BBADHN CN(C)C/C=C\C(=O)N1CCO[C@@H](CO)C1 ZINC000492214026 388338439 /nfs/dbraw/zinc/33/84/39/388338439.db2.gz MRAFNUAEYJNAEF-UMBAGQNISA-N 0 3 228.292 -0.676 20 0 BBADHN CN(C)C/C=C\C(=O)N1CCO[C@H](CO)C1 ZINC000492214027 388337851 /nfs/dbraw/zinc/33/78/51/388337851.db2.gz MRAFNUAEYJNAEF-XOULXFPDSA-N 0 3 228.292 -0.676 20 0 BBADHN CCN(CCO)C(=O)/C=C\CN(C)C ZINC000492240695 388339112 /nfs/dbraw/zinc/33/91/12/388339112.db2.gz AELMAXUAZONFOY-WAYWQWQTSA-N 0 3 200.282 -0.055 20 0 BBADHN CN(C)C/C=C/C(=O)N1CC[C@@H](NC(N)=O)C1 ZINC000492255274 388339336 /nfs/dbraw/zinc/33/93/36/388339336.db2.gz YSWQXROKLMHJED-CDAZIORVSA-N 0 3 240.307 -0.627 20 0 BBADHN CN(C)C/C=C/C(=O)N1CC[C@H](NC(N)=O)C1 ZINC000492255275 388339433 /nfs/dbraw/zinc/33/94/33/388339433.db2.gz YSWQXROKLMHJED-NWALNABHSA-N 0 3 240.307 -0.627 20 0 BBADHN CN(C)C/C=C\C(=O)N1CC[C@H](NC(N)=O)C1 ZINC000492255276 388339380 /nfs/dbraw/zinc/33/93/80/388339380.db2.gz YSWQXROKLMHJED-TYRPZCRBSA-N 0 3 240.307 -0.627 20 0 BBADHN CN(C)C/C=C\C(=O)N1CC[C@@H](NC(N)=O)C1 ZINC000492255277 388339333 /nfs/dbraw/zinc/33/93/33/388339333.db2.gz YSWQXROKLMHJED-ZBJFTSOASA-N 0 3 240.307 -0.627 20 0 BBADHN COC(=O)C1(NC(=O)/C=C\CN(C)C)CC1 ZINC000492261139 388339593 /nfs/dbraw/zinc/33/95/93/388339593.db2.gz NIVHILWJRCBYPN-PLNGDYQASA-N 0 3 226.276 -0.074 20 0 BBADHN CN(C)C/C=C\C(=O)NCC1(C)OCCO1 ZINC000492262418 388339556 /nfs/dbraw/zinc/33/95/56/388339556.db2.gz QBAIEPXTEAZPEJ-PLNGDYQASA-N 0 3 228.292 -0.017 20 0 BBADHN COC[C@@H](CCO)NC(=O)/C=C/CN(C)C ZINC000492263192 388339546 /nfs/dbraw/zinc/33/95/46/388339546.db2.gz KZQRLBZUNBJNEF-ORAHPGNNSA-N 0 3 230.308 -0.382 20 0 BBADHN COC[C@H](CCO)NC(=O)/C=C/CN(C)C ZINC000492263193 388339789 /nfs/dbraw/zinc/33/97/89/388339789.db2.gz KZQRLBZUNBJNEF-YEZKRMTDSA-N 0 3 230.308 -0.382 20 0 BBADHN C[C@@H]1CO[C@H](CO)CN1C(=O)/C=C\CN(C)C ZINC000492263354 388339786 /nfs/dbraw/zinc/33/97/86/388339786.db2.gz RXPBZSLWVFQFSZ-KWKBKKAHSA-N 0 3 242.319 -0.288 20 0 BBADHN 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ZINC000528634068 388553883 /nfs/dbraw/zinc/55/38/83/388553883.db2.gz KIHYVNSZIPJSBM-BDAKNGLRSA-N 0 3 228.292 -0.788 20 0 BBADHN OCCN[C@]1(CO)COc2ccccc2C1 ZINC000528651656 388555768 /nfs/dbraw/zinc/55/57/68/388555768.db2.gz OEQAFSDPLPZOPP-GFCCVEGCSA-N 0 3 223.272 -0.066 20 0 BBADHN OCCN[C@@]1(CO)COc2ccccc2C1 ZINC000528651659 388555776 /nfs/dbraw/zinc/55/57/76/388555776.db2.gz OEQAFSDPLPZOPP-LBPRGKRZSA-N 0 3 223.272 -0.066 20 0 BBADHN CCn1ncc(CNC(=O)C(C)(C)N)n1 ZINC000528660676 388556753 /nfs/dbraw/zinc/55/67/53/388556753.db2.gz JCWWKVRCQGZFLO-UHFFFAOYSA-N 0 3 211.269 -0.349 20 0 BBADHN CCOC[C@H]1CN(C(=O)C(C)(C)N)CCO1 ZINC000528662526 262965058 /nfs/dbraw/zinc/96/50/58/262965058.db2.gz PGKPQBVFNHJLJS-SECBINFHSA-N 0 3 230.308 -0.012 20 0 BBADHN CCOC[C@@H]1CN(C(=O)C(C)(C)N)CCO1 ZINC000528662529 388556261 /nfs/dbraw/zinc/55/62/61/388556261.db2.gz PGKPQBVFNHJLJS-VIFPVBQESA-N 0 3 230.308 -0.012 20 0 BBADHN CCn1ncc(CNC(=O)[C@@H](N)C(C)C)n1 ZINC000528663266 388556559 /nfs/dbraw/zinc/55/65/59/388556559.db2.gz SGOFFTIPZGNKBQ-VIFPVBQESA-N 0 3 225.296 -0.103 20 0 BBADHN CCn1nncc1CNC(=O)[C@@H](N)C(C)C ZINC000528664339 388556663 /nfs/dbraw/zinc/55/66/63/388556663.db2.gz WZLQDGOVCZCIKN-VIFPVBQESA-N 0 3 225.296 -0.103 20 0 BBADHN CN(C)C(=O)[C@@H]1CCCN1CCc1c[nH]nn1 ZINC000528683109 388558078 /nfs/dbraw/zinc/55/80/78/388558078.db2.gz RJXHQXBXKZVOER-JTQLQIEISA-N 0 3 237.307 -0.100 20 0 BBADHN CC1(N2CCOCC2)CCN(CC(N)=O)CC1 ZINC000528731096 388563815 /nfs/dbraw/zinc/56/38/15/388563815.db2.gz PNIGCBGVRMQWFP-UHFFFAOYSA-N 0 3 241.335 -0.342 20 0 BBADHN COCCN1C[C@](C)(CO)[C@](C)(CO)C1 ZINC000528748452 388564479 /nfs/dbraw/zinc/56/44/79/388564479.db2.gz HOBXAJAOHMNRSA-PHIMTYICSA-N 0 3 217.309 -0.054 20 0 BBADHN C[C@]1(CO)CN(CCCO)C[C@@]1(C)CO ZINC000528749589 388565861 /nfs/dbraw/zinc/56/58/61/388565861.db2.gz WECIEEDTBFXASJ-PHIMTYICSA-N 0 3 217.309 -0.318 20 0 BBADHN COC(CN1C[C@](C)(CO)[C@](C)(CO)C1)OC ZINC000528754295 388566285 /nfs/dbraw/zinc/56/62/85/388566285.db2.gz JEHOMMIOJBSMAU-TXEJJXNPSA-N 0 3 247.335 -0.082 20 0 BBADHN C[C@H](N[C@@H]1[C@H](C)O[C@H](C)[C@H]1C)C(=O)NC(N)=O ZINC000528754639 388565954 /nfs/dbraw/zinc/56/59/54/388565954.db2.gz IFBBASNKCZDMSL-DMAGGPPCSA-N 0 3 243.307 -0.029 20 0 BBADHN C[C@H](N[C@H]1[C@@H](C)[C@H](C)O[C@H]1C)C(=O)NC(N)=O ZINC000528754643 388566316 /nfs/dbraw/zinc/56/63/16/388566316.db2.gz IFBBASNKCZDMSL-LJASKYJCSA-N 0 3 243.307 -0.029 20 0 BBADHN C[C@H](N[C@H]1[C@@H](C)[C@@H](C)O[C@H]1C)C(=O)NC(N)=O ZINC000528754646 388566420 /nfs/dbraw/zinc/56/64/20/388566420.db2.gz IFBBASNKCZDMSL-PQFOHKHZSA-N 0 3 243.307 -0.029 20 0 BBADHN C[C@H](N[C@@H]1[C@H](C)O[C@@H](C)[C@H]1C)C(=O)NC(N)=O ZINC000528754649 388566295 /nfs/dbraw/zinc/56/62/95/388566295.db2.gz IFBBASNKCZDMSL-QVWMKHDWSA-N 0 3 243.307 -0.029 20 0 BBADHN C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1NCC(=O)NC(N)=O ZINC000528755195 388566024 /nfs/dbraw/zinc/56/60/24/388566024.db2.gz PTEUDNIRVTWYDU-AYHNYZOXSA-N 0 3 229.280 -0.417 20 0 BBADHN C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1NCC(=O)NC(N)=O ZINC000528755197 388565724 /nfs/dbraw/zinc/56/57/24/388565724.db2.gz PTEUDNIRVTWYDU-JVZYCSMKSA-N 0 3 229.280 -0.417 20 0 BBADHN C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1NCC(=O)NC(N)=O ZINC000528755198 388565688 /nfs/dbraw/zinc/56/56/88/388565688.db2.gz PTEUDNIRVTWYDU-LKHWLPBLSA-N 0 3 229.280 -0.417 20 0 BBADHN C[C@H]1O[C@@H](C)[C@H](C)[C@H]1NCC(=O)NC(N)=O ZINC000528755199 388566201 /nfs/dbraw/zinc/56/62/01/388566201.db2.gz PTEUDNIRVTWYDU-XZMZPDFPSA-N 0 3 229.280 -0.417 20 0 BBADHN C[C@H](O)CN1C[C@](C)(CO)[C@](C)(CO)C1 ZINC000528755819 388567385 /nfs/dbraw/zinc/56/73/85/388567385.db2.gz VXNYNMZSYBOCJU-GARJFASQSA-N 0 3 217.309 -0.320 20 0 BBADHN C[C@@H](O)CN1C[C@](C)(CO)[C@](C)(CO)C1 ZINC000528755820 388567274 /nfs/dbraw/zinc/56/72/74/388567274.db2.gz VXNYNMZSYBOCJU-MXWKQRLJSA-N 0 3 217.309 -0.320 20 0 BBADHN Cc1cncn1CC(=O)N1CC(N(C)C)C1 ZINC000528922964 388583958 /nfs/dbraw/zinc/58/39/58/388583958.db2.gz BMGOIGVYCYYVOP-UHFFFAOYSA-N 0 3 222.292 -0.036 20 0 BBADHN CN1CC[C@@](O)(CNC(=O)c2cccnn2)C1 ZINC000529036949 324236589 /nfs/dbraw/zinc/23/65/89/324236589.db2.gz WCMAMUBNNWFXOZ-LLVKDONJSA-N 0 3 236.275 -0.727 20 0 BBADHN CN1CC[C@](O)(CNC(=O)c2cccnn2)C1 ZINC000529036951 324236360 /nfs/dbraw/zinc/23/63/60/324236360.db2.gz WCMAMUBNNWFXOZ-NSHDSACASA-N 0 3 236.275 -0.727 20 0 BBADHN CN(C)C[C@H](CO)NC(=O)c1cccnn1 ZINC000529389155 324285374 /nfs/dbraw/zinc/28/53/74/324285374.db2.gz TVIBYFQCEJRRFZ-MRVPVSSYSA-N 0 3 224.264 -0.871 20 0 BBADHN CN(C)C[C@@H](CO)NC(=O)c1cccnn1 ZINC000529389156 324285689 /nfs/dbraw/zinc/28/56/89/324285689.db2.gz TVIBYFQCEJRRFZ-QMMMGPOBSA-N 0 3 224.264 -0.871 20 0 BBADHN CN(C)[C@H]1CN(C(=O)c2cccnn2)C[C@@H]1O ZINC000529413039 324289903 /nfs/dbraw/zinc/28/99/03/324289903.db2.gz YLDDNUCZBKHBTK-UWVGGRQHSA-N 0 3 236.275 -0.777 20 0 BBADHN O=C1CCN(CNCC2CC(O)C2)CC1 ZINC000529675943 324375770 /nfs/dbraw/zinc/37/57/70/324375770.db2.gz SWJZZDVKPDMPCA-UHFFFAOYSA-N 0 3 212.293 -0.031 20 0 BBADHN CCCN(C)CC(=O)N1C[C@@H](CO)[C@H](CO)C1 ZINC000529692938 324378824 /nfs/dbraw/zinc/37/88/24/324378824.db2.gz UTECTXUJTHWITN-QWRGUYRKSA-N 0 3 244.335 -0.613 20 0 BBADHN NC(=O)CC(=O)NC[C@@H]1CCN1C1CCCC1 ZINC000530028754 388606067 /nfs/dbraw/zinc/60/60/67/388606067.db2.gz LWRSUKRMXAWNJZ-JTQLQIEISA-N 0 3 239.319 -0.005 20 0 BBADHN NC(=O)CC(=O)NC[C@H]1CCN1C1CCCC1 ZINC000530028755 388605906 /nfs/dbraw/zinc/60/59/06/388605906.db2.gz LWRSUKRMXAWNJZ-SNVBAGLBSA-N 0 3 239.319 -0.005 20 0 BBADHN CCCOCN1C(C)C(=O)N(C)S1(=O)=O ZINC000530109085 323198436 /nfs/dbraw/zinc/19/84/36/323198436.db2.gz FFTUNMJQJKVSNN-SSDOTTSWSA-N 0 3 236.293 -0.222 20 0 BBADHN CCCOCN1C(C)C(=O)N(C)S1(=O)=O ZINC000530109086 323198432 /nfs/dbraw/zinc/19/84/32/323198432.db2.gz FFTUNMJQJKVSNN-ZETCQYMHSA-N 0 3 236.293 -0.222 20 0 BBADHN Cn1cc(CNC[C@H]2COCCN2)cn1 ZINC000530180533 388623090 /nfs/dbraw/zinc/62/30/90/388623090.db2.gz CBGYCWMXWPHYHL-JTQLQIEISA-N 0 3 210.281 -0.502 20 0 BBADHN Cn1cc(CNC[C@@H]2COCCN2)cn1 ZINC000530180534 388622607 /nfs/dbraw/zinc/62/26/07/388622607.db2.gz CBGYCWMXWPHYHL-SNVBAGLBSA-N 0 3 210.281 -0.502 20 0 BBADHN NC(=O)c1ccc(CNC[C@@H]2COCCN2)cc1 ZINC000530180738 388622835 /nfs/dbraw/zinc/62/28/35/388622835.db2.gz GKHJOZBVJFWLPH-GFCCVEGCSA-N 0 3 249.314 -0.137 20 0 BBADHN NC(=O)c1ccc(CNC[C@H]2COCCN2)cc1 ZINC000530180739 388622788 /nfs/dbraw/zinc/62/27/88/388622788.db2.gz GKHJOZBVJFWLPH-LBPRGKRZSA-N 0 3 249.314 -0.137 20 0 BBADHN c1nc2cnccn2c1CNC[C@H]1COCCN1 ZINC000530180903 388622579 /nfs/dbraw/zinc/62/25/79/388622579.db2.gz DUXFNHVHUALCQF-JTQLQIEISA-N 0 3 247.302 -0.193 20 0 BBADHN c1nc2cnccn2c1CNC[C@@H]1COCCN1 ZINC000530180904 323205674 /nfs/dbraw/zinc/20/56/74/323205674.db2.gz DUXFNHVHUALCQF-SNVBAGLBSA-N 0 3 247.302 -0.193 20 0 BBADHN Cn1nccc1CNC[C@@H]1COCCN1 ZINC000530181047 388623287 /nfs/dbraw/zinc/62/32/87/388623287.db2.gz JICRXDMCGANHPJ-SECBINFHSA-N 0 3 210.281 -0.502 20 0 BBADHN Cn1nccc1CNC[C@H]1COCCN1 ZINC000530181048 388622890 /nfs/dbraw/zinc/62/28/90/388622890.db2.gz JICRXDMCGANHPJ-VIFPVBQESA-N 0 3 210.281 -0.502 20 0 BBADHN COCCN1CC[C@@H](NC[C@H]2COCCN2)C1 ZINC000530181688 388622882 /nfs/dbraw/zinc/62/28/82/388622882.db2.gz MLCFGALAFGNNKC-NEPJUHHUSA-N 0 3 243.351 -0.715 20 0 BBADHN COCCN1CC[C@H](NC[C@@H]2COCCN2)C1 ZINC000530181689 388623175 /nfs/dbraw/zinc/62/31/75/388623175.db2.gz MLCFGALAFGNNKC-NWDGAFQWSA-N 0 3 243.351 -0.715 20 0 BBADHN COCCN1CC[C@H](NC[C@H]2COCCN2)C1 ZINC000530181690 388623022 /nfs/dbraw/zinc/62/30/22/388623022.db2.gz MLCFGALAFGNNKC-RYUDHWBXSA-N 0 3 243.351 -0.715 20 0 BBADHN COCCN1CC[C@@H](NC[C@@H]2COCCN2)C1 ZINC000530181691 388623231 /nfs/dbraw/zinc/62/32/31/388623231.db2.gz MLCFGALAFGNNKC-VXGBXAGGSA-N 0 3 243.351 -0.715 20 0 BBADHN CCn1nccc1CNC[C@H]1COCCN1 ZINC000530181787 388622925 /nfs/dbraw/zinc/62/29/25/388622925.db2.gz NYJYKPWPDGPRCA-JTQLQIEISA-N 0 3 224.308 -0.019 20 0 BBADHN CCn1nccc1CNC[C@@H]1COCCN1 ZINC000530181790 388622981 /nfs/dbraw/zinc/62/29/81/388622981.db2.gz NYJYKPWPDGPRCA-SNVBAGLBSA-N 0 3 224.308 -0.019 20 0 BBADHN Cc1nn(C)cc1CNC[C@@H]1COCCN1 ZINC000530182212 388622695 /nfs/dbraw/zinc/62/26/95/388622695.db2.gz RUPBKSBPYLZBDK-LLVKDONJSA-N 0 3 224.308 -0.193 20 0 BBADHN Cc1nn(C)cc1CNC[C@H]1COCCN1 ZINC000530182217 388623038 /nfs/dbraw/zinc/62/30/38/388623038.db2.gz RUPBKSBPYLZBDK-NSHDSACASA-N 0 3 224.308 -0.193 20 0 BBADHN NC(=O)c1cccc(CNC[C@@H]2COCCN2)c1 ZINC000530182483 388623713 /nfs/dbraw/zinc/62/37/13/388623713.db2.gz VEQBYLAJIVEJFN-GFCCVEGCSA-N 0 3 249.314 -0.137 20 0 BBADHN NC(=O)c1cccc(CNC[C@H]2COCCN2)c1 ZINC000530182485 388623872 /nfs/dbraw/zinc/62/38/72/388623872.db2.gz VEQBYLAJIVEJFN-LBPRGKRZSA-N 0 3 249.314 -0.137 20 0 BBADHN CN(C)CCNC(=O)c1nncs1 ZINC000530183341 323205935 /nfs/dbraw/zinc/20/59/35/323205935.db2.gz RGXBVLBPYQAMFF-UHFFFAOYSA-N 0 3 200.267 -0.171 20 0 BBADHN C[C@@H](Cc1cnccn1)NC[C@@H]1COCCN1 ZINC000530226296 323219494 /nfs/dbraw/zinc/21/94/94/323219494.db2.gz RDAOQYNWKLAIEX-CMPLNLGQSA-N 0 3 236.319 -0.014 20 0 BBADHN C[C@@H](Cc1cnccn1)NC[C@H]1COCCN1 ZINC000530226320 323219401 /nfs/dbraw/zinc/21/94/01/323219401.db2.gz RDAOQYNWKLAIEX-JQWIXIFHSA-N 0 3 236.319 -0.014 20 0 BBADHN C[C@H](Cc1cnccn1)NC[C@H]1COCCN1 ZINC000530226321 323219369 /nfs/dbraw/zinc/21/93/69/323219369.db2.gz RDAOQYNWKLAIEX-PWSUYJOCSA-N 0 3 236.319 -0.014 20 0 BBADHN C[C@H](Cc1cnccn1)NC[C@@H]1COCCN1 ZINC000530226326 323219475 /nfs/dbraw/zinc/21/94/75/323219475.db2.gz RDAOQYNWKLAIEX-ZYHUDNBSSA-N 0 3 236.319 -0.014 20 0 BBADHN CS(=O)(=O)CCNCC12CC(C1)CO2 ZINC000530240230 388638333 /nfs/dbraw/zinc/63/83/33/388638333.db2.gz CEQJIZYPCXNYSZ-UHFFFAOYSA-N 0 3 219.306 -0.200 20 0 BBADHN Cc1c[nH]nc1CNC[C@@H]1COCCN1 ZINC000530246099 388639052 /nfs/dbraw/zinc/63/90/52/388639052.db2.gz BQIGSGQTUCLBOT-SECBINFHSA-N 0 3 210.281 -0.204 20 0 BBADHN Cc1c[nH]nc1CNC[C@H]1COCCN1 ZINC000530246100 388638678 /nfs/dbraw/zinc/63/86/78/388638678.db2.gz BQIGSGQTUCLBOT-VIFPVBQESA-N 0 3 210.281 -0.204 20 0 BBADHN Nc1ccc(CNC[C@H]2COCCN2)cn1 ZINC000530246449 487965916 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-0.199 20 0 BBADHN CN[C@@H](C)C(=O)N1CCO[C@H](C(=O)C2CC2)C1 ZINC000569865679 323043169 /nfs/dbraw/zinc/04/31/69/323043169.db2.gz OLZHMTJIKASDCB-WPRPVWTQSA-N 0 3 240.303 -0.199 20 0 BBADHN CN[C@@H](C)C(=O)N1CCNC[C@@](C)(F)C1 ZINC000569865859 323043121 /nfs/dbraw/zinc/04/31/21/323043121.db2.gz UGVXAANNBOTFJB-WCBMZHEXSA-N 0 3 217.288 -0.246 20 0 BBADHN CN[C@@H](C)C(=O)N1CCNC[C@](C)(F)C1 ZINC000569865860 323043106 /nfs/dbraw/zinc/04/31/06/323043106.db2.gz UGVXAANNBOTFJB-WPRPVWTQSA-N 0 3 217.288 -0.246 20 0 BBADHN CN(C)CCn1ccc(C(=O)N2CC(O)C2)n1 ZINC000569939339 323045242 /nfs/dbraw/zinc/04/52/42/323045242.db2.gz PAESTJWNRBPCIU-UHFFFAOYSA-N 0 3 238.291 -0.739 20 0 BBADHN CNC(=O)CCCN(C)C(=O)CNC(C)C ZINC000569940511 323045317 /nfs/dbraw/zinc/04/53/17/323045317.db2.gz BTAWUGSWMQPGGT-UHFFFAOYSA-N 0 3 229.324 -0.031 20 0 BBADHN CC(C)NS(=O)(=O)CCN[C@H](C)[C@H](C)O ZINC000569961042 323045847 /nfs/dbraw/zinc/04/58/47/323045847.db2.gz WGYVIOBZKSOGSM-BDAKNGLRSA-N 0 3 238.353 -0.327 20 0 BBADHN CC(C)NS(=O)(=O)CCN[C@@H](C)[C@@H](C)O ZINC000569961047 323045791 /nfs/dbraw/zinc/04/57/91/323045791.db2.gz WGYVIOBZKSOGSM-DTWKUNHWSA-N 0 3 238.353 -0.327 20 0 BBADHN CC(C)NS(=O)(=O)CCN[C@@H](C)[C@H](C)O ZINC000569961048 323045841 /nfs/dbraw/zinc/04/58/41/323045841.db2.gz WGYVIOBZKSOGSM-IUCAKERBSA-N 0 3 238.353 -0.327 20 0 BBADHN CC(C)NS(=O)(=O)CCN[C@H](C)[C@@H](C)O ZINC000569961050 323045808 /nfs/dbraw/zinc/04/58/08/323045808.db2.gz WGYVIOBZKSOGSM-RKDXNWHRSA-N 0 3 238.353 -0.327 20 0 BBADHN CC(C)n1ncnc1CNC(=O)[C@@H]1C[C@@H]1N ZINC000569967257 323046002 /nfs/dbraw/zinc/04/60/02/323046002.db2.gz GTLNLTQDSQFPNV-SFYZADRCSA-N 0 3 223.280 -0.178 20 0 BBADHN C[C@@H](N)C(=O)N1CCOCC2(CCOCC2)C1 ZINC000569967817 323045929 /nfs/dbraw/zinc/04/59/29/323045929.db2.gz XDJTVNIWOALJGT-SNVBAGLBSA-N 0 3 242.319 -0.011 20 0 BBADHN Nc1ccccc1C(=O)NC[C@H]1CNCCO1 ZINC000569972490 323046170 /nfs/dbraw/zinc/04/61/70/323046170.db2.gz BMCBEBCCIDRBGB-SECBINFHSA-N 0 3 235.287 -0.013 20 0 BBADHN Nc1ccccc1C(=O)NC[C@@H]1CNCCO1 ZINC000569972492 323046129 /nfs/dbraw/zinc/04/61/29/323046129.db2.gz BMCBEBCCIDRBGB-VIFPVBQESA-N 0 3 235.287 -0.013 20 0 BBADHN CN(C)C(=O)CCN1CCC[C@]12CCNC2=O ZINC000569985571 323046494 /nfs/dbraw/zinc/04/64/94/323046494.db2.gz OTTXFOWKXXIRIK-GFCCVEGCSA-N 0 3 239.319 -0.181 20 0 BBADHN CN(C)C(=O)CCN1CCC[C@@]12CCNC2=O ZINC000569985572 323046586 /nfs/dbraw/zinc/04/65/86/323046586.db2.gz OTTXFOWKXXIRIK-LBPRGKRZSA-N 0 3 239.319 -0.181 20 0 BBADHN CCN1CCCN(C(=O)[C@H](C)NC)CC1=O ZINC000569987728 323046677 /nfs/dbraw/zinc/04/66/77/323046677.db2.gz FKEFFPNKYNNJCQ-VIFPVBQESA-N 0 3 227.308 -0.325 20 0 BBADHN Cc1nccnc1N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000569989327 323046694 /nfs/dbraw/zinc/04/66/94/323046694.db2.gz WFPDVAKJJCWXGU-NXEZZACHSA-N 0 3 247.302 -0.467 20 0 BBADHN Cc1nccnc1N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000569989328 323046701 /nfs/dbraw/zinc/04/67/01/323046701.db2.gz WFPDVAKJJCWXGU-UWVGGRQHSA-N 0 3 247.302 -0.467 20 0 BBADHN Cc1nccnc1N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000569989329 323046627 /nfs/dbraw/zinc/04/66/27/323046627.db2.gz WFPDVAKJJCWXGU-VHSXEESVSA-N 0 3 247.302 -0.467 20 0 BBADHN Cc1nccnc1N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000569989330 323046679 /nfs/dbraw/zinc/04/66/79/323046679.db2.gz WFPDVAKJJCWXGU-ZJUUUORDSA-N 0 3 247.302 -0.467 20 0 BBADHN CN(CCOCCO)[C@H]1CCC(=O)N(C)C1 ZINC000570056321 323048672 /nfs/dbraw/zinc/04/86/72/323048672.db2.gz DIQMFSDFXHVBLL-JTQLQIEISA-N 0 3 230.308 -0.452 20 0 BBADHN CN(CCOCCO)[C@@H]1CCC(=O)N(C)C1 ZINC000570056322 323048749 /nfs/dbraw/zinc/04/87/49/323048749.db2.gz DIQMFSDFXHVBLL-SNVBAGLBSA-N 0 3 230.308 -0.452 20 0 BBADHN O=C(CCOC1CNC1)Nc1cncnc1 ZINC000570088937 323049434 /nfs/dbraw/zinc/04/94/34/323049434.db2.gz QAZAEWPZQGVAPV-UHFFFAOYSA-N 0 3 222.248 -0.206 20 0 BBADHN C[C@@H](NC(=O)C(=O)N(C)CCN)C(C)(C)C ZINC000570101925 323049976 /nfs/dbraw/zinc/04/99/76/323049976.db2.gz DRFSVJIUDVXLCP-MRVPVSSYSA-N 0 3 229.324 -0.046 20 0 BBADHN CC(C)N(C)CC(=O)N1CCn2nncc2C1 ZINC000570107642 323050214 /nfs/dbraw/zinc/05/02/14/323050214.db2.gz SQXYLMBMZJYZSR-UHFFFAOYSA-N 0 3 237.307 -0.040 20 0 BBADHN C[C@@H]1CN(C(=O)C[C@H]2CNCCO2)C[C@H](C)N1 ZINC000570160478 323051322 /nfs/dbraw/zinc/05/13/22/323051322.db2.gz FWTXMYOZPLAWDF-AXFHLTTASA-N 0 3 241.335 -0.426 20 0 BBADHN C[C@@H]1CN(C(=O)C[C@H]2CNCCO2)C[C@@H](C)N1 ZINC000570160479 323051384 /nfs/dbraw/zinc/05/13/84/323051384.db2.gz FWTXMYOZPLAWDF-MXWKQRLJSA-N 0 3 241.335 -0.426 20 0 BBADHN C[C@H]1NCCN(C(=O)c2cnc(N)cn2)[C@@H]1C ZINC000570164329 323051623 /nfs/dbraw/zinc/05/16/23/323051623.db2.gz POVAQHFTJIASKS-HTQZYQBOSA-N 0 3 235.291 -0.119 20 0 BBADHN C[C@@H]1[C@H](C)NCCN1C(=O)c1cnc(N)cn1 ZINC000570164330 323051706 /nfs/dbraw/zinc/05/17/06/323051706.db2.gz POVAQHFTJIASKS-JGVFFNPUSA-N 0 3 235.291 -0.119 20 0 BBADHN C[C@H]1NCCN(C(=O)c2cnc(N)cn2)[C@H]1C ZINC000570164331 323051700 /nfs/dbraw/zinc/05/17/00/323051700.db2.gz POVAQHFTJIASKS-SFYZADRCSA-N 0 3 235.291 -0.119 20 0 BBADHN C[C@@H]1NCCN(C(=O)c2cnc(N)cn2)[C@H]1C ZINC000570164332 323051640 /nfs/dbraw/zinc/05/16/40/323051640.db2.gz POVAQHFTJIASKS-YUMQZZPRSA-N 0 3 235.291 -0.119 20 0 BBADHN CO[C@@H]1CN[C@@H](C(=O)N(C)c2ccn(C)n2)C1 ZINC000570164782 323051612 /nfs/dbraw/zinc/05/16/12/323051612.db2.gz WQHIRSZNVFZURV-DTWKUNHWSA-N 0 3 238.291 -0.240 20 0 BBADHN O=C(CC1CCOCC1)NC[C@H]1CNCCO1 ZINC000570201546 323052369 /nfs/dbraw/zinc/05/23/69/323052369.db2.gz PXKXGYAXVUVGQX-LLVKDONJSA-N 0 3 242.319 -0.092 20 0 BBADHN O=C(CC1CCOCC1)NC[C@@H]1CNCCO1 ZINC000570201547 323052327 /nfs/dbraw/zinc/05/23/27/323052327.db2.gz PXKXGYAXVUVGQX-NSHDSACASA-N 0 3 242.319 -0.092 20 0 BBADHN CCO[C@H](CC)C(=O)NC[C@H]1CNCCO1 ZINC000570201577 323052446 /nfs/dbraw/zinc/05/24/46/323052446.db2.gz UAMSWNMWSZZARO-NXEZZACHSA-N 0 3 230.308 -0.094 20 0 BBADHN CCO[C@@H](CC)C(=O)NC[C@@H]1CNCCO1 ZINC000570201578 323052413 /nfs/dbraw/zinc/05/24/13/323052413.db2.gz UAMSWNMWSZZARO-UWVGGRQHSA-N 0 3 230.308 -0.094 20 0 BBADHN CCO[C@H](CC)C(=O)NC[C@@H]1CNCCO1 ZINC000570201579 323052459 /nfs/dbraw/zinc/05/24/59/323052459.db2.gz UAMSWNMWSZZARO-VHSXEESVSA-N 0 3 230.308 -0.094 20 0 BBADHN CCO[C@@H](CC)C(=O)NC[C@H]1CNCCO1 ZINC000570201580 323052344 /nfs/dbraw/zinc/05/23/44/323052344.db2.gz UAMSWNMWSZZARO-ZJUUUORDSA-N 0 3 230.308 -0.094 20 0 BBADHN NC1(C(=O)N2CC[C@@H](Nc3ncccn3)C2)CC1 ZINC000570215472 323053479 /nfs/dbraw/zinc/05/34/79/323053479.db2.gz HSFYAOJTJVBGPW-SECBINFHSA-N 0 3 247.302 -0.019 20 0 BBADHN NC1(C(=O)N2CC[C@H](Nc3ncccn3)C2)CC1 ZINC000570215477 323053474 /nfs/dbraw/zinc/05/34/74/323053474.db2.gz HSFYAOJTJVBGPW-VIFPVBQESA-N 0 3 247.302 -0.019 20 0 BBADHN COC(=O)CCN1C[C@H](O)[C@@H](N(C)C)C1 ZINC000570222799 323053255 /nfs/dbraw/zinc/05/32/55/323053255.db2.gz HCLCTRQHHSIKPF-IUCAKERBSA-N 0 3 216.281 -0.844 20 0 BBADHN O=C1CN(CCCNCC2(F)CC2)CCN1 ZINC000570225326 323053703 /nfs/dbraw/zinc/05/37/03/323053703.db2.gz NSNNZZCAQRUYLD-UHFFFAOYSA-N 0 3 229.299 -0.100 20 0 BBADHN CNC(=O)CCN(C)CCNC(C)=O ZINC000570231644 323053498 /nfs/dbraw/zinc/05/34/98/323053498.db2.gz QJRLQDSMXOADRL-UHFFFAOYSA-N 0 3 201.270 -0.810 20 0 BBADHN CCCN[C@H](C)C(=O)N1CCN(C)C(=O)C1 ZINC000570276472 323054663 /nfs/dbraw/zinc/05/46/63/323054663.db2.gz IJJOSAUAFFPYHG-SECBINFHSA-N 0 3 227.308 -0.325 20 0 BBADHN CCCN[C@@H](C)C(=O)N1CCN(C)C(=O)C1 ZINC000570276474 323054710 /nfs/dbraw/zinc/05/47/10/323054710.db2.gz IJJOSAUAFFPYHG-VIFPVBQESA-N 0 3 227.308 -0.325 20 0 BBADHN C[C@@H](N)C(=O)NCc1ccc2c(c1)C(=O)NCC2 ZINC000570278327 323054809 /nfs/dbraw/zinc/05/48/09/323054809.db2.gz YZNQTOUHPKHFGR-MRVPVSSYSA-N 0 3 247.298 -0.064 20 0 BBADHN C[C@H](N)C(=O)NCc1ccc2c(c1)C(=O)NCC2 ZINC000570278328 323054869 /nfs/dbraw/zinc/05/48/69/323054869.db2.gz YZNQTOUHPKHFGR-QMMMGPOBSA-N 0 3 247.298 -0.064 20 0 BBADHN COC[C@@H](NC(=O)[C@@H]1CCCCN1)C(=O)OC ZINC000570280636 323054949 /nfs/dbraw/zinc/05/49/49/323054949.db2.gz GVEXMXGIJMABSL-DTWKUNHWSA-N 0 3 244.291 -0.567 20 0 BBADHN COC[C@H](NC(=O)[C@@H]1CCCCN1)C(=O)OC ZINC000570280640 323054923 /nfs/dbraw/zinc/05/49/23/323054923.db2.gz GVEXMXGIJMABSL-IUCAKERBSA-N 0 3 244.291 -0.567 20 0 BBADHN CN(CC1CCCC1)C(=O)C(=O)NC1CNC1 ZINC000570308243 323055937 /nfs/dbraw/zinc/05/59/37/323055937.db2.gz MNCQJONNHOHZNA-UHFFFAOYSA-N 0 3 239.319 -0.277 20 0 BBADHN C[C@@H](N)C(=O)N1CCC[C@@H](N2CCCC2=O)C1 ZINC000570328885 323056476 /nfs/dbraw/zinc/05/64/76/323056476.db2.gz FEVGEDHWBVZDGE-NXEZZACHSA-N 0 3 239.319 -0.053 20 0 BBADHN C[C@H](N)C(=O)N1CCC[C@H](N2CCCC2=O)C1 ZINC000570328886 323056403 /nfs/dbraw/zinc/05/64/03/323056403.db2.gz FEVGEDHWBVZDGE-UWVGGRQHSA-N 0 3 239.319 -0.053 20 0 BBADHN C[C@H](N)C(=O)N1CCC[C@@H](N2CCCC2=O)C1 ZINC000570328887 323056523 /nfs/dbraw/zinc/05/65/23/323056523.db2.gz FEVGEDHWBVZDGE-VHSXEESVSA-N 0 3 239.319 -0.053 20 0 BBADHN C[C@@H](N)C(=O)N1CCC[C@H](N2CCCC2=O)C1 ZINC000570328888 323056514 /nfs/dbraw/zinc/05/65/14/323056514.db2.gz FEVGEDHWBVZDGE-ZJUUUORDSA-N 0 3 239.319 -0.053 20 0 BBADHN O=C(NC1=NCC(=O)N1)c1ccc2c(c1)CNC2 ZINC000570329758 323056472 /nfs/dbraw/zinc/05/64/72/323056472.db2.gz GKSOWDYQCZGHTO-UHFFFAOYSA-N 0 3 244.254 -0.495 20 0 BBADHN CC(C)[C@H]1CN([C@@H]2CC(=O)NC2=O)CCN1C ZINC000570341486 323056656 /nfs/dbraw/zinc/05/66/56/323056656.db2.gz ZNUOFUCRUQLCPH-NXEZZACHSA-N 0 3 239.319 -0.327 20 0 BBADHN CC(C)[C@@H]1CN([C@H]2CC(=O)NC2=O)CCN1C ZINC000570341488 323056580 /nfs/dbraw/zinc/05/65/80/323056580.db2.gz ZNUOFUCRUQLCPH-UWVGGRQHSA-N 0 3 239.319 -0.327 20 0 BBADHN CC(C)[C@H]1CN([C@H]2CC(=O)NC2=O)CCN1C ZINC000570341490 323056729 /nfs/dbraw/zinc/05/67/29/323056729.db2.gz ZNUOFUCRUQLCPH-VHSXEESVSA-N 0 3 239.319 -0.327 20 0 BBADHN CC(C)[C@@H]1CN([C@@H]2CC(=O)NC2=O)CCN1C ZINC000570341491 323056625 /nfs/dbraw/zinc/05/66/25/323056625.db2.gz ZNUOFUCRUQLCPH-ZJUUUORDSA-N 0 3 239.319 -0.327 20 0 BBADHN CC(=O)NCCCN1CCC[C@]12CCNC2=O ZINC000570341602 323056546 /nfs/dbraw/zinc/05/65/46/323056546.db2.gz KZXURLNFJRLAKN-GFCCVEGCSA-N 0 3 239.319 -0.133 20 0 BBADHN CC(=O)NCCCN1CCC[C@@]12CCNC2=O ZINC000570341603 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365862876 /nfs/dbraw/zinc/86/28/76/365862876.db2.gz NZSKTMHRRCZLRZ-FXQIFTODSA-N 0 3 227.251 -0.012 20 0 BBADHN CC[C@@H](NC[C@H](O)COC)[C@H](O)C(F)F ZINC000577178852 365861932 /nfs/dbraw/zinc/86/19/32/365861932.db2.gz NZSKTMHRRCZLRZ-RNJXMRFFSA-N 0 3 227.251 -0.012 20 0 BBADHN CC[C@@H](NC[C@H](O)COC)[C@@H](O)C(F)F ZINC000577178853 365861943 /nfs/dbraw/zinc/86/19/43/365861943.db2.gz NZSKTMHRRCZLRZ-XLPZGREQSA-N 0 3 227.251 -0.012 20 0 BBADHN CCn1nncc1CN1C[C@H](O)[C@@H](N(C)C)C1 ZINC000577189386 365869149 /nfs/dbraw/zinc/86/91/49/365869149.db2.gz YVWKDCVOELOPNE-QWRGUYRKSA-N 0 3 239.323 -0.595 20 0 BBADHN CN(C)[C@H]1CN(C(=O)[C@@H]2CCCCO2)C[C@@H]1O ZINC000577201638 365875752 /nfs/dbraw/zinc/87/57/52/365875752.db2.gz YCXYWQYAGMYHRL-DCAQKATOSA-N 0 3 242.319 -0.311 20 0 BBADHN CN(C)[C@H]1CN(C(=O)[C@H]2CCCCO2)C[C@@H]1O ZINC000577201639 365875542 /nfs/dbraw/zinc/87/55/42/365875542.db2.gz YCXYWQYAGMYHRL-GARJFASQSA-N 0 3 242.319 -0.311 20 0 BBADHN NC(=O)NC(=O)CCNCc1ccoc1 ZINC000577215602 365884692 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/nfs/dbraw/zinc/98/05/28/365980528.db2.gz RPUPRGPMPJSFRR-NHCYSSNCSA-N 0 3 244.335 -0.472 20 0 BBADHN CO[C@H](CN)C(=O)NC[C@@H]1CCC[C@H]1OC ZINC000577602063 366013459 /nfs/dbraw/zinc/01/34/59/366013459.db2.gz POPIACWUYYEHPZ-IVZWLZJFSA-N 0 3 230.308 -0.109 20 0 BBADHN CO[C@H](CN)C(=O)NC[C@H]1CCC[C@@H]1OC ZINC000577602064 366013254 /nfs/dbraw/zinc/01/32/54/366013254.db2.gz POPIACWUYYEHPZ-KXUCPTDWSA-N 0 3 230.308 -0.109 20 0 BBADHN CO[C@H](CN)C(=O)NC[C@@H]1CCC[C@@H]1OC ZINC000577602065 366013328 /nfs/dbraw/zinc/01/33/28/366013328.db2.gz POPIACWUYYEHPZ-LPEHRKFASA-N 0 3 230.308 -0.109 20 0 BBADHN CO[C@H](CN)C(=O)NC[C@H]1CCC[C@H]1OC ZINC000577602066 366013482 /nfs/dbraw/zinc/01/34/82/366013482.db2.gz POPIACWUYYEHPZ-OPRDCNLKSA-N 0 3 230.308 -0.109 20 0 BBADHN Cn1cc(CN2CCNC[C@@H]2C(F)F)nn1 ZINC000577610348 366017092 /nfs/dbraw/zinc/01/70/92/366017092.db2.gz FESHYWZCEXCSOD-MRVPVSSYSA-N 0 3 231.250 -0.146 20 0 BBADHN Cn1cc(CN2CCNC[C@H]2C(F)F)nn1 ZINC000577610349 366017142 /nfs/dbraw/zinc/01/71/42/366017142.db2.gz FESHYWZCEXCSOD-QMMMGPOBSA-N 0 3 231.250 -0.146 20 0 BBADHN CNC(=O)CCCN1CCC[C@@H]1C(N)=O ZINC000577646883 366031388 /nfs/dbraw/zinc/03/13/88/366031388.db2.gz ZZPJAZVUWVKUKR-MRVPVSSYSA-N 0 3 213.281 -0.538 20 0 BBADHN CC(=O)N1CC(N[C@H]2CCC(=O)NC2(C)C)C1 ZINC000577648226 366031477 /nfs/dbraw/zinc/03/14/77/366031477.db2.gz COGUHEBFDQMBGC-JTQLQIEISA-N 0 3 239.319 -0.136 20 0 BBADHN CC(=O)N1CC(N[C@@H]2CCC(=O)NC2(C)C)C1 ZINC000577648227 366031574 /nfs/dbraw/zinc/03/15/74/366031574.db2.gz COGUHEBFDQMBGC-SNVBAGLBSA-N 0 3 239.319 -0.136 20 0 BBADHN O=S1(=O)C[C@@H](O)[C@H](N[C@@H]2CCCC[C@H]2O)C1 ZINC000577650529 366032526 /nfs/dbraw/zinc/03/25/26/366032526.db2.gz WLNAAPYNBYIIAF-ZYUZMQFOSA-N 0 3 249.332 -0.963 20 0 BBADHN CC(C)NC(=O)CCN1CC[C@H](CO)[C@H](O)C1 ZINC000577676923 366035190 /nfs/dbraw/zinc/03/51/90/366035190.db2.gz XSBMYOIDJHCONL-GHMZBOCLSA-N 0 3 244.335 -0.424 20 0 BBADHN CC(C)NC(=O)CCN1CC[C@H](CO)[C@@H](O)C1 ZINC000577676924 366035301 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ZINC000578256183 366472609 /nfs/dbraw/zinc/47/26/09/366472609.db2.gz NCMFXLPZFVZYBZ-GXSJLCMTSA-N 0 3 247.339 -0.367 20 0 BBADHN COC[C@@](C)(O)CNC(=O)N[C@@H](C)CN(C)C ZINC000578256184 366472601 /nfs/dbraw/zinc/47/26/01/366472601.db2.gz NCMFXLPZFVZYBZ-ONGXEEELSA-N 0 3 247.339 -0.367 20 0 BBADHN CC(=O)NCCN(C)C[C@@H]1CCCNC1=O ZINC000578320279 366506993 /nfs/dbraw/zinc/50/69/93/366506993.db2.gz LYZMIXVDFOCVOC-JTQLQIEISA-N 0 3 227.308 -0.420 20 0 BBADHN CC(=O)NCCN(C)C[C@H]1CCCNC1=O ZINC000578320280 366507139 /nfs/dbraw/zinc/50/71/39/366507139.db2.gz LYZMIXVDFOCVOC-SNVBAGLBSA-N 0 3 227.308 -0.420 20 0 BBADHN Nc1ccncc1C(=O)N1CCCNCC1 ZINC000578323814 366512455 /nfs/dbraw/zinc/51/24/55/366512455.db2.gz XPUOKWRDJADJHB-UHFFFAOYSA-N 0 3 220.276 -0.070 20 0 BBADHN CCN(CC(=O)OC)C(=O)C[C@@H]1CNCCO1 ZINC000578324756 366514495 /nfs/dbraw/zinc/51/44/95/366514495.db2.gz VCRURVCPGRGCRW-SECBINFHSA-N 0 3 244.291 -0.614 20 0 BBADHN CCN(CC(=O)OC)C(=O)C[C@H]1CNCCO1 ZINC000578324757 366514095 /nfs/dbraw/zinc/51/40/95/366514095.db2.gz VCRURVCPGRGCRW-VIFPVBQESA-N 0 3 244.291 -0.614 20 0 BBADHN C[C@H]1CN(CCNC(=O)CNC2CC2)CCO1 ZINC000578326230 366515205 /nfs/dbraw/zinc/51/52/05/366515205.db2.gz LVHWXKZGNJPHDI-JTQLQIEISA-N 0 3 241.335 -0.425 20 0 BBADHN C[C@@H]1CN(CCNC(=O)CNC2CC2)CCO1 ZINC000578326231 366515351 /nfs/dbraw/zinc/51/53/51/366515351.db2.gz LVHWXKZGNJPHDI-SNVBAGLBSA-N 0 3 241.335 -0.425 20 0 BBADHN C[C@@H]1CCN(CC(=O)NCCCC(N)=O)C1 ZINC000578335342 366524354 /nfs/dbraw/zinc/52/43/54/366524354.db2.gz FGAGVCGWGWIZRY-SECBINFHSA-N 0 3 227.308 -0.290 20 0 BBADHN C[C@H]1CCN(CC(=O)NCCCC(N)=O)C1 ZINC000578335347 366525193 /nfs/dbraw/zinc/52/51/93/366525193.db2.gz FGAGVCGWGWIZRY-VIFPVBQESA-N 0 3 227.308 -0.290 20 0 BBADHN O=C1NCC[C@]12CCCN2C[C@H]1COCCO1 ZINC000578335968 366524885 /nfs/dbraw/zinc/52/48/85/366524885.db2.gz XDJDYSMMDDMKKF-CMPLNLGQSA-N 0 3 240.303 -0.244 20 0 BBADHN O=C1NCC[C@@]12CCCN2C[C@H]1COCCO1 ZINC000578335969 366525573 /nfs/dbraw/zinc/52/55/73/366525573.db2.gz XDJDYSMMDDMKKF-JQWIXIFHSA-N 0 3 240.303 -0.244 20 0 BBADHN O=C1NCC[C@@]12CCCN2C[C@@H]1COCCO1 ZINC000578335970 366525001 /nfs/dbraw/zinc/52/50/01/366525001.db2.gz XDJDYSMMDDMKKF-PWSUYJOCSA-N 0 3 240.303 -0.244 20 0 BBADHN O=C1NCC[C@]12CCCN2C[C@@H]1COCCO1 ZINC000578335971 366525320 /nfs/dbraw/zinc/52/53/20/366525320.db2.gz XDJDYSMMDDMKKF-ZYHUDNBSSA-N 0 3 240.303 -0.244 20 0 BBADHN N[C@H]1C[C@@H]2CN(Cc3cccnc3)CCN2C1=O ZINC000578338624 366527891 /nfs/dbraw/zinc/52/78/91/366527891.db2.gz PMPIRZCYGVOACU-NEPJUHHUSA-N 0 3 246.314 -0.175 20 0 BBADHN N[C@@H]1C[C@H]2CN(Cc3cccnc3)CCN2C1=O ZINC000578338625 366528518 /nfs/dbraw/zinc/52/85/18/366528518.db2.gz PMPIRZCYGVOACU-NWDGAFQWSA-N 0 3 246.314 -0.175 20 0 BBADHN N[C@H]1C[C@H]2CN(Cc3cccnc3)CCN2C1=O ZINC000578338626 366527741 /nfs/dbraw/zinc/52/77/41/366527741.db2.gz PMPIRZCYGVOACU-RYUDHWBXSA-N 0 3 246.314 -0.175 20 0 BBADHN N[C@@H]1C[C@@H]2CN(Cc3cccnc3)CCN2C1=O ZINC000578338627 344759826 /nfs/dbraw/zinc/75/98/26/344759826.db2.gz PMPIRZCYGVOACU-VXGBXAGGSA-N 0 3 246.314 -0.175 20 0 BBADHN OC[C@H]1CCN(CCn2ccnc2)C[C@H]1O ZINC000578396584 366554781 /nfs/dbraw/zinc/55/47/81/366554781.db2.gz ULLROZKBCUBTEL-GHMZBOCLSA-N 0 3 225.292 -0.442 20 0 BBADHN OC[C@H]1CCN(CCn2ccnc2)C[C@@H]1O ZINC000578396585 366555851 /nfs/dbraw/zinc/55/58/51/366555851.db2.gz ULLROZKBCUBTEL-MNOVXSKESA-N 0 3 225.292 -0.442 20 0 BBADHN OC[C@@H]1CCN(CCn2ccnc2)C[C@@H]1O ZINC000578396586 366555321 /nfs/dbraw/zinc/55/53/21/366555321.db2.gz ULLROZKBCUBTEL-QWRGUYRKSA-N 0 3 225.292 -0.442 20 0 BBADHN OC[C@@H]1CCN(CCn2ccnc2)C[C@H]1O ZINC000578396587 366555223 /nfs/dbraw/zinc/55/52/23/366555223.db2.gz ULLROZKBCUBTEL-WDEREUQCSA-N 0 3 225.292 -0.442 20 0 BBADHN CCOCCC(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000578428404 366565057 /nfs/dbraw/zinc/56/50/57/366565057.db2.gz NWKGHMGPXWPAJD-UWVGGRQHSA-N 0 3 230.308 -0.454 20 0 BBADHN N[C@@H]1C[C@@H]1C(=O)N1CCC[C@@H](n2cncn2)C1 ZINC000578434572 366566520 /nfs/dbraw/zinc/56/65/20/366566520.db2.gz DCDNLVKOKBPRPZ-KXUCPTDWSA-N 0 3 235.291 -0.211 20 0 BBADHN N[C@@H]1C[C@@H]1C(=O)N1CCC[C@H](n2cncn2)C1 ZINC000578434575 366566877 /nfs/dbraw/zinc/56/68/77/366566877.db2.gz DCDNLVKOKBPRPZ-LPEHRKFASA-N 0 3 235.291 -0.211 20 0 BBADHN CCCN[C@H](C)C(=O)NCC(=O)NC1CC1 ZINC000578439173 366568505 /nfs/dbraw/zinc/56/85/05/366568505.db2.gz ZXIPBEWHAHCLPF-MRVPVSSYSA-N 0 3 227.308 -0.231 20 0 BBADHN CCCN[C@@H](C)C(=O)NCC(=O)NC1CC1 ZINC000578439174 366567850 /nfs/dbraw/zinc/56/78/50/366567850.db2.gz ZXIPBEWHAHCLPF-QMMMGPOBSA-N 0 3 227.308 -0.231 20 0 BBADHN CCOC(=O)C[C@H](CO)NC[C@H](C)O ZINC000578442638 366569863 /nfs/dbraw/zinc/56/98/63/366569863.db2.gz BBXCDGFBJVCCIO-JGVFFNPUSA-N 0 3 205.254 -0.729 20 0 BBADHN CCOC(=O)C[C@@H](CO)NC[C@H](C)O ZINC000578442639 366569300 /nfs/dbraw/zinc/56/93/00/366569300.db2.gz BBXCDGFBJVCCIO-YUMQZZPRSA-N 0 3 205.254 -0.729 20 0 BBADHN Nc1ccc(NC(=O)C[C@@H]2CNCCO2)cn1 ZINC000578442978 411957276 /nfs/dbraw/zinc/95/72/76/411957276.db2.gz QXHQOSTUCKPUOE-SECBINFHSA-N 0 3 236.275 -0.019 20 0 BBADHN Nc1ccc(NC(=O)C[C@H]2CNCCO2)cn1 ZINC000578442979 411957357 /nfs/dbraw/zinc/95/73/57/411957357.db2.gz QXHQOSTUCKPUOE-VIFPVBQESA-N 0 3 236.275 -0.019 20 0 BBADHN CC(C)OC(=O)CCCNC(=O)CN ZINC000578443622 366569267 /nfs/dbraw/zinc/56/92/67/366569267.db2.gz MIHNXKOEQGERNY-UHFFFAOYSA-N 0 3 202.254 -0.207 20 0 BBADHN CN(C)[C@H]1CN(C(=O)C2(C)COC2)C[C@@H]1O ZINC000578452642 344888960 /nfs/dbraw/zinc/88/89/60/344888960.db2.gz QOQORIDHBCYPHV-IUCAKERBSA-N 0 3 228.292 -0.844 20 0 BBADHN CN(C)[C@H]1CN([C@H]2CCOC2)C[C@@H]1O ZINC000578478377 366575676 /nfs/dbraw/zinc/57/56/76/366575676.db2.gz KNOIGCXPHKCVCN-GUBZILKMSA-N 0 3 200.282 -0.618 20 0 BBADHN CN(C)[C@H]1CN([C@@H]2CCOC2)C[C@@H]1O ZINC000578478378 366575736 /nfs/dbraw/zinc/57/57/36/366575736.db2.gz KNOIGCXPHKCVCN-UTLUCORTSA-N 0 3 200.282 -0.618 20 0 BBADHN Nc1ccnc(CNC(=O)C(N)C(F)(F)F)n1 ZINC000578504687 411970608 /nfs/dbraw/zinc/97/06/08/411970608.db2.gz LBULTVYQOUENMY-LURJTMIESA-N 0 3 249.196 -0.435 20 0 BBADHN Nc1ccnc(CNC(=O)C(N)C(F)(F)F)n1 ZINC000578504688 411968544 /nfs/dbraw/zinc/96/85/44/411968544.db2.gz LBULTVYQOUENMY-ZCFIWIBFSA-N 0 3 249.196 -0.435 20 0 BBADHN CC(C)N(C(=O)C(=O)NC1CNC1)C1CC1 ZINC000578507169 366583444 /nfs/dbraw/zinc/58/34/44/366583444.db2.gz XDSBJQZOLLNYOR-UHFFFAOYSA-N 0 3 225.292 -0.526 20 0 BBADHN N[C@H]1C[C@@H]2CN(CCCF)CCN2C1=O ZINC000578523424 366590761 /nfs/dbraw/zinc/59/07/61/366590761.db2.gz CDAGPOCVVMRKDZ-BDAKNGLRSA-N 0 3 215.272 -0.410 20 0 BBADHN N[C@@H]1C[C@H]2CN(CCCF)CCN2C1=O ZINC000578523425 366591219 /nfs/dbraw/zinc/59/12/19/366591219.db2.gz CDAGPOCVVMRKDZ-DTWKUNHWSA-N 0 3 215.272 -0.410 20 0 BBADHN N[C@H]1C[C@H]2CN(CCCF)CCN2C1=O ZINC000578523426 366585673 /nfs/dbraw/zinc/58/56/73/366585673.db2.gz CDAGPOCVVMRKDZ-IUCAKERBSA-N 0 3 215.272 -0.410 20 0 BBADHN N[C@@H]1C[C@@H]2CN(CCCF)CCN2C1=O ZINC000578523427 366585692 /nfs/dbraw/zinc/58/56/92/366585692.db2.gz CDAGPOCVVMRKDZ-RKDXNWHRSA-N 0 3 215.272 -0.410 20 0 BBADHN CCOC(=O)C[C@H](CO)NC[C@@H](O)CC ZINC000578533228 366593564 /nfs/dbraw/zinc/59/35/64/366593564.db2.gz XWYFDEVOUBGWCL-BDAKNGLRSA-N 0 3 219.281 -0.339 20 0 BBADHN CCOC(=O)C[C@@H](CO)NC[C@@H](O)CC ZINC000578533229 366593840 /nfs/dbraw/zinc/59/38/40/366593840.db2.gz XWYFDEVOUBGWCL-IUCAKERBSA-N 0 3 219.281 -0.339 20 0 BBADHN CO[C@H](CN)C(=O)N(C)C[C@@H]1CCC[C@H]1O ZINC000578533534 366593405 /nfs/dbraw/zinc/59/34/05/366593405.db2.gz SGOZNKHSNJSRFX-IVZWLZJFSA-N 0 3 230.308 -0.421 20 0 BBADHN CO[C@H](CN)C(=O)N(C)C[C@H]1CCC[C@@H]1O ZINC000578533538 366593477 /nfs/dbraw/zinc/59/34/77/366593477.db2.gz SGOZNKHSNJSRFX-KXUCPTDWSA-N 0 3 230.308 -0.421 20 0 BBADHN CO[C@H](CN)C(=O)N(C)C[C@@H]1CCC[C@@H]1O ZINC000578533539 366593152 /nfs/dbraw/zinc/59/31/52/366593152.db2.gz SGOZNKHSNJSRFX-LPEHRKFASA-N 0 3 230.308 -0.421 20 0 BBADHN CO[C@H](CN)C(=O)N(C)C[C@H]1CCC[C@H]1O ZINC000578533540 366593381 /nfs/dbraw/zinc/59/33/81/366593381.db2.gz SGOZNKHSNJSRFX-OPRDCNLKSA-N 0 3 230.308 -0.421 20 0 BBADHN CN(C)CCN(C)C(=O)Cc1cncn1C ZINC000578540733 366594479 /nfs/dbraw/zinc/59/44/79/366594479.db2.gz YIMXEWPQXQAEFJ-UHFFFAOYSA-N 0 3 224.308 -0.017 20 0 BBADHN CSCC(=O)N[C@H](C)C(=O)NCCN(C)C ZINC000578562193 366599773 /nfs/dbraw/zinc/59/97/73/366599773.db2.gz SNHZREYZKIEAAS-MRVPVSSYSA-N 0 3 247.364 -0.468 20 0 BBADHN CSCC(=O)N[C@@H](C)C(=O)NCCN(C)C ZINC000578562194 366599896 /nfs/dbraw/zinc/59/98/96/366599896.db2.gz SNHZREYZKIEAAS-QMMMGPOBSA-N 0 3 247.364 -0.468 20 0 BBADHN Cn1cc(NC(=O)CNC2CC2)cc1C(N)=O ZINC000578624574 366611164 /nfs/dbraw/zinc/61/11/64/366611164.db2.gz HPDYOWIAZYWGTB-UHFFFAOYSA-N 0 3 236.275 -0.186 20 0 BBADHN C[C@H](C[NH3+])[N-]S(=O)(=O)c1ccn(C)n1 ZINC000578625651 366611670 /nfs/dbraw/zinc/61/16/70/366611670.db2.gz CBJMQUIJAJIHGI-ZCFIWIBFSA-N 0 3 218.282 -0.954 20 0 BBADHN C[C@@H](O)CN(C)[C@H]1CCC(=O)N(C)C1 ZINC000578638747 366615506 /nfs/dbraw/zinc/61/55/06/366615506.db2.gz FHSZQEHWXKBUPB-BDAKNGLRSA-N 0 3 200.282 -0.080 20 0 BBADHN C[C@@H](O)CN(C)[C@@H]1CCC(=O)N(C)C1 ZINC000578638748 366615548 /nfs/dbraw/zinc/61/55/48/366615548.db2.gz FHSZQEHWXKBUPB-RKDXNWHRSA-N 0 3 200.282 -0.080 20 0 BBADHN CC(=O)NCCN(C)C[C@H]1CCNC(=O)CC1 ZINC000578647974 366619759 /nfs/dbraw/zinc/61/97/59/366619759.db2.gz SOLGLJMVADWGQX-LLVKDONJSA-N 0 3 241.335 -0.029 20 0 BBADHN CC(=O)NCCN(C)C[C@@H]1CCNC(=O)CC1 ZINC000578647975 366619487 /nfs/dbraw/zinc/61/94/87/366619487.db2.gz SOLGLJMVADWGQX-NSHDSACASA-N 0 3 241.335 -0.029 20 0 BBADHN Nc1ncc(CNC[C@H]2CNCCO2)s1 ZINC000578651633 411959703 /nfs/dbraw/zinc/95/97/03/411959703.db2.gz DSRQCCHEECJFPR-SSDOTTSWSA-N 0 3 228.321 -0.197 20 0 BBADHN Nc1ncc(CNC[C@@H]2CNCCO2)s1 ZINC000578651634 411963307 /nfs/dbraw/zinc/96/33/07/411963307.db2.gz DSRQCCHEECJFPR-ZETCQYMHSA-N 0 3 228.321 -0.197 20 0 BBADHN CC(=O)NCCN(C)C(=O)C1CCN(C)CC1 ZINC000578654878 366622445 /nfs/dbraw/zinc/62/24/45/366622445.db2.gz LGCLGRFACGSRQL-UHFFFAOYSA-N 0 3 241.335 -0.077 20 0 BBADHN COCCNCC(=O)N1CC[S@](=O)[C@H](C)C1 ZINC000578746060 366636445 /nfs/dbraw/zinc/63/64/45/366636445.db2.gz 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/nfs/dbraw/zinc/09/77/66/369097766.db2.gz XNJGORDUOIVHCH-UHFFFAOYSA-N 0 3 244.335 -0.326 20 0 BBADHN CN(C)CCN(CC(=O)N(C)C)C(=O)C1CC1 ZINC000618300583 369115871 /nfs/dbraw/zinc/11/58/71/369115871.db2.gz WYRPSAOLIVUZBS-UHFFFAOYSA-N 0 3 241.335 -0.125 20 0 BBADHN COCC(=O)N(CCN(C)C)CC(=O)N(C)C ZINC000618302199 369116577 /nfs/dbraw/zinc/11/65/77/369116577.db2.gz JEQKAGPRGGRMNG-UHFFFAOYSA-N 0 3 245.323 -0.889 20 0 BBADHN CC(=O)NCC(=O)N[C@@H]1CCCN(C)C1 ZINC000618423493 369143446 /nfs/dbraw/zinc/14/34/46/369143446.db2.gz GVGBRQRGKDTVPP-SECBINFHSA-N 0 3 213.281 -0.667 20 0 BBADHN CC(=O)NCC(=O)N[C@H]1CCCN(C)C1 ZINC000618423494 369142947 /nfs/dbraw/zinc/14/29/47/369142947.db2.gz GVGBRQRGKDTVPP-VIFPVBQESA-N 0 3 213.281 -0.667 20 0 BBADHN CN1C[C@H](C(=O)N[C@@H]2CCCN(C)C2)CC1=O ZINC000618424209 369142874 /nfs/dbraw/zinc/14/28/74/369142874.db2.gz CXVHHSDJTHGLPO-NXEZZACHSA-N 0 3 239.319 -0.325 20 0 BBADHN CN1C[C@@H](C(=O)N[C@H]2CCCN(C)C2)CC1=O ZINC000618424213 369143133 /nfs/dbraw/zinc/14/31/33/369143133.db2.gz CXVHHSDJTHGLPO-UWVGGRQHSA-N 0 3 239.319 -0.325 20 0 BBADHN CN1C[C@@H](C(=O)N[C@@H]2CCCN(C)C2)CC1=O ZINC000618424214 369142174 /nfs/dbraw/zinc/14/21/74/369142174.db2.gz CXVHHSDJTHGLPO-VHSXEESVSA-N 0 3 239.319 -0.325 20 0 BBADHN CN1C[C@H](C(=O)N[C@H]2CCCN(C)C2)CC1=O ZINC000618424215 369142856 /nfs/dbraw/zinc/14/28/56/369142856.db2.gz CXVHHSDJTHGLPO-ZJUUUORDSA-N 0 3 239.319 -0.325 20 0 BBADHN CN1CCC[C@H](NC(=O)CCn2ccnn2)C1 ZINC000618424250 347460497 /nfs/dbraw/zinc/46/04/97/347460497.db2.gz DUXCMOWWGCNJDL-JTQLQIEISA-N 0 3 237.307 -0.121 20 0 BBADHN CC(=O)N(C)CC(=O)N[C@@H]1CCCN(C)C1 ZINC000618424482 491068675 /nfs/dbraw/zinc/06/86/75/491068675.db2.gz JEAMZQMWHWSSCL-SNVBAGLBSA-N 0 3 227.308 -0.325 20 0 BBADHN CN1CCC[C@H](NC(=O)CCn2cncn2)C1 ZINC000618424546 347466569 /nfs/dbraw/zinc/46/65/69/347466569.db2.gz JXHLSOMMPZUIRE-JTQLQIEISA-N 0 3 237.307 -0.121 20 0 BBADHN CN1CCC[C@@H](NC(=O)CCn2cncn2)C1 ZINC000618424547 347466557 /nfs/dbraw/zinc/46/65/57/347466557.db2.gz JXHLSOMMPZUIRE-SNVBAGLBSA-N 0 3 237.307 -0.121 20 0 BBADHN CN1CCC[C@@H](NC(=O)CCNC(N)=O)C1 ZINC000618424906 385487493 /nfs/dbraw/zinc/48/74/93/385487493.db2.gz PZGXAJRERDCTBC-MRVPVSSYSA-N 0 3 228.296 -0.745 20 0 BBADHN CN1CCC[C@H](NC(=O)CCNC(N)=O)C1 ZINC000618424907 385488428 /nfs/dbraw/zinc/48/84/28/385488428.db2.gz PZGXAJRERDCTBC-QMMMGPOBSA-N 0 3 228.296 -0.745 20 0 BBADHN CNC(=O)CNC(=O)N[C@@H]1CCCN(C)C1 ZINC000618547691 369168757 /nfs/dbraw/zinc/16/87/57/369168757.db2.gz ODMMDRDDSDCPEF-MRVPVSSYSA-N 0 3 228.296 -0.874 20 0 BBADHN CNC(=O)CNC(=O)N[C@H]1CCCN(C)C1 ZINC000618547692 369168366 /nfs/dbraw/zinc/16/83/66/369168366.db2.gz ODMMDRDDSDCPEF-QMMMGPOBSA-N 0 3 228.296 -0.874 20 0 BBADHN CN(C)C(=O)CNC(=O)N[C@@H]1CCCN(C)C1 ZINC000618547708 350269141 /nfs/dbraw/zinc/26/91/41/350269141.db2.gz QDCYBUDNSXWXFU-SECBINFHSA-N 0 3 242.323 -0.532 20 0 BBADHN CN(C)C(=O)CNC(=O)N[C@H]1CCCN(C)C1 ZINC000618547709 350269123 /nfs/dbraw/zinc/26/91/23/350269123.db2.gz QDCYBUDNSXWXFU-VIFPVBQESA-N 0 3 242.323 -0.532 20 0 BBADHN CC(=O)NCCNC(=O)N[C@H]1CCCN(C)C1 ZINC000618547863 350268764 /nfs/dbraw/zinc/26/87/64/350268764.db2.gz IBTBZABETXLFMT-JTQLQIEISA-N 0 3 242.323 -0.484 20 0 BBADHN CC(=O)NCCNC(=O)N[C@@H]1CCCN(C)C1 ZINC000618547867 350268973 /nfs/dbraw/zinc/26/89/73/350268973.db2.gz IBTBZABETXLFMT-SNVBAGLBSA-N 0 3 242.323 -0.484 20 0 BBADHN CCNC(=O)CNC(=O)N[C@@H]1CCCN(C)C1 ZINC000618548064 369168856 /nfs/dbraw/zinc/16/88/56/369168856.db2.gz RPEUVPNJLAMUJX-SECBINFHSA-N 0 3 242.323 -0.484 20 0 BBADHN CCNC(=O)CNC(=O)N[C@H]1CCCN(C)C1 ZINC000618548066 369168323 /nfs/dbraw/zinc/16/83/23/369168323.db2.gz RPEUVPNJLAMUJX-VIFPVBQESA-N 0 3 242.323 -0.484 20 0 BBADHN CN1CCC[C@@H](NC(=O)NCCC(N)=O)C1 ZINC000618551538 369169236 /nfs/dbraw/zinc/16/92/36/369169236.db2.gz NSYRHEZAXDPXJE-MRVPVSSYSA-N 0 3 228.296 -0.745 20 0 BBADHN CN1CCC[C@H](NC(=O)NCCC(N)=O)C1 ZINC000618551539 369169125 /nfs/dbraw/zinc/16/91/25/369169125.db2.gz NSYRHEZAXDPXJE-QMMMGPOBSA-N 0 3 228.296 -0.745 20 0 BBADHN C[C@H](CO)NC(=O)N[C@H]1CCCN(C)C1 ZINC000618560561 369171770 /nfs/dbraw/zinc/17/17/70/369171770.db2.gz DWTDWFWVQBOOLP-BDAKNGLRSA-N 0 3 215.297 -0.239 20 0 BBADHN C[C@@H](CO)NC(=O)N[C@@H]1CCCN(C)C1 ZINC000618560562 369172445 /nfs/dbraw/zinc/17/24/45/369172445.db2.gz DWTDWFWVQBOOLP-DTWKUNHWSA-N 0 3 215.297 -0.239 20 0 BBADHN C[C@@H](CO)NC(=O)N[C@H]1CCCN(C)C1 ZINC000618560563 369171660 /nfs/dbraw/zinc/17/16/60/369171660.db2.gz DWTDWFWVQBOOLP-IUCAKERBSA-N 0 3 215.297 -0.239 20 0 BBADHN C[C@H](CO)NC(=O)N[C@@H]1CCCN(C)C1 ZINC000618560564 369172262 /nfs/dbraw/zinc/17/22/62/369172262.db2.gz DWTDWFWVQBOOLP-RKDXNWHRSA-N 0 3 215.297 -0.239 20 0 BBADHN CN1CCC[C@@H](NC(=O)NCCCO)C1 ZINC000618560909 369172450 /nfs/dbraw/zinc/17/24/50/369172450.db2.gz UXIZSXSRNHQRLA-SECBINFHSA-N 0 3 215.297 -0.238 20 0 BBADHN CN1CCC[C@H](NC(=O)NCCCO)C1 ZINC000618560910 369171547 /nfs/dbraw/zinc/17/15/47/369171547.db2.gz UXIZSXSRNHQRLA-VIFPVBQESA-N 0 3 215.297 -0.238 20 0 BBADHN CC(C(=O)N1CCC[C@@H]1[C@H](C)O)S(C)(=O)=O ZINC000618915895 369236294 /nfs/dbraw/zinc/23/62/94/369236294.db2.gz TUGGTNRUFKMPMN-DJLDLDEBSA-N 0 3 249.332 -0.209 20 0 BBADHN CC(C(=O)N1CCC[C@@H]1[C@@H](C)O)S(C)(=O)=O ZINC000618915900 369237071 /nfs/dbraw/zinc/23/70/71/369237071.db2.gz TUGGTNRUFKMPMN-HRDYMLBCSA-N 0 3 249.332 -0.209 20 0 BBADHN CC(C(=O)N1CCC[C@@H]1[C@@H](C)O)S(C)(=O)=O ZINC000618915901 369236437 /nfs/dbraw/zinc/23/64/37/369236437.db2.gz TUGGTNRUFKMPMN-IWSPIJDZSA-N 0 3 249.332 -0.209 20 0 BBADHN CC(C(=O)N1CCC[C@@H]1[C@H](C)O)S(C)(=O)=O ZINC000618915902 369236551 /nfs/dbraw/zinc/23/65/51/369236551.db2.gz TUGGTNRUFKMPMN-XHNCKOQMSA-N 0 3 249.332 -0.209 20 0 BBADHN CN1CCC[C@H]1C(=O)N1CCC(=O)N(C)CC1 ZINC000619058630 369269743 /nfs/dbraw/zinc/26/97/43/369269743.db2.gz XPCHEZQSAAXRAT-JTQLQIEISA-N 0 3 239.319 -0.229 20 0 BBADHN CN1CCC[C@@H]1C(=O)N1CCC(=O)N(C)CC1 ZINC000619058631 369269890 /nfs/dbraw/zinc/26/98/90/369269890.db2.gz XPCHEZQSAAXRAT-SNVBAGLBSA-N 0 3 239.319 -0.229 20 0 BBADHN C[C@H]1CCN(CC(=O)NC[C@@H]2CCC(=O)N2)C1 ZINC000619136824 369294973 /nfs/dbraw/zinc/29/49/73/369294973.db2.gz MCSRSTRVBGDXCI-UWVGGRQHSA-N 0 3 239.319 -0.277 20 0 BBADHN C[C@@H]1CCN(CC(=O)NC[C@@H]2CCC(=O)N2)C1 ZINC000619136825 369294585 /nfs/dbraw/zinc/29/45/85/369294585.db2.gz MCSRSTRVBGDXCI-ZJUUUORDSA-N 0 3 239.319 -0.277 20 0 BBADHN CC[C@H](C(=O)NC[C@@H]1CCC(=O)N1)N(C)C ZINC000619139884 369296961 /nfs/dbraw/zinc/29/69/61/369296961.db2.gz JYVHYJGSHQFFRG-DTWKUNHWSA-N 0 3 227.308 -0.279 20 0 BBADHN CC[C@@H](C(=O)NC[C@@H]1CCC(=O)N1)N(C)C ZINC000619139885 369297256 /nfs/dbraw/zinc/29/72/56/369297256.db2.gz JYVHYJGSHQFFRG-IUCAKERBSA-N 0 3 227.308 -0.279 20 0 BBADHN CC(C)[C@H](C(=O)NC[C@@H]1CCC(=O)N1)N(C)C ZINC000619139912 369296920 /nfs/dbraw/zinc/29/69/20/369296920.db2.gz KTIPMVTXENRPIE-GXSJLCMTSA-N 0 3 241.335 -0.033 20 0 BBADHN CC(C)[C@@H](C(=O)NC[C@@H]1CCC(=O)N1)N(C)C ZINC000619140687 369297146 /nfs/dbraw/zinc/29/71/46/369297146.db2.gz KTIPMVTXENRPIE-ONGXEEELSA-N 0 3 241.335 -0.033 20 0 BBADHN CCN(CC)CC(=O)NC[C@@H]1CCC(=O)N1 ZINC000619140770 369297975 /nfs/dbraw/zinc/29/79/75/369297975.db2.gz NJKBKYJZVJJPMS-VIFPVBQESA-N 0 3 227.308 -0.277 20 0 BBADHN CCCN(C)CC(=O)NC[C@@H]1CCC(=O)N1 ZINC000619142483 369298166 /nfs/dbraw/zinc/29/81/66/369298166.db2.gz SIPHAOMAOGAASS-VIFPVBQESA-N 0 3 227.308 -0.277 20 0 BBADHN CC(C)N(C)CC(=O)NC[C@@H]1CCC(=O)N1 ZINC000619142613 369298253 /nfs/dbraw/zinc/29/82/53/369298253.db2.gz RWNGSVMMVMSQCB-VIFPVBQESA-N 0 3 227.308 -0.279 20 0 BBADHN COC(=O)c1cc(CNC[C@@](C)(O)CO)c[nH]1 ZINC000619464309 369384705 /nfs/dbraw/zinc/38/47/05/369384705.db2.gz PWUUHWNQROUYIS-LLVKDONJSA-N 0 3 242.275 -0.366 20 0 BBADHN COC(=O)c1cc(CNC[C@](C)(O)CO)c[nH]1 ZINC000619464310 369384779 /nfs/dbraw/zinc/38/47/79/369384779.db2.gz PWUUHWNQROUYIS-NSHDSACASA-N 0 3 242.275 -0.366 20 0 BBADHN NC(=O)NC(=O)CCN1CC([C@@H]2CCOC2)C1 ZINC000619506656 355823465 /nfs/dbraw/zinc/82/34/65/355823465.db2.gz ATDYHRUSANCCOI-MRVPVSSYSA-N 0 3 241.291 -0.460 20 0 BBADHN NC(=O)NC(=O)CCN1CC([C@H]2CCOC2)C1 ZINC000619506657 355823425 /nfs/dbraw/zinc/82/34/25/355823425.db2.gz ATDYHRUSANCCOI-QMMMGPOBSA-N 0 3 241.291 -0.460 20 0 BBADHN COC(=O)CC1(CN2C[C@H](O)C[C@H](O)C2)CC1 ZINC000619648396 369505464 /nfs/dbraw/zinc/50/54/64/369505464.db2.gz JFOHKCYKZNPFDT-AOOOYVTPSA-N 0 3 243.303 -0.243 20 0 BBADHN COC(=O)C(C)(C)CCN(CCO)CCO ZINC000619807683 369598881 /nfs/dbraw/zinc/59/88/81/369598881.db2.gz IKEFEKXOWBTRPD-UHFFFAOYSA-N 0 3 233.308 -0.138 20 0 BBADHN CCCN1CC[C@@H](NC(=O)[C@H]2CCC(=O)N2)C1 ZINC000619891814 369625406 /nfs/dbraw/zinc/62/54/06/369625406.db2.gz VIXLKMNAIOLVEJ-NXEZZACHSA-N 0 3 239.319 -0.135 20 0 BBADHN CCCN1CC[C@H](NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC000619891815 369625430 /nfs/dbraw/zinc/62/54/30/369625430.db2.gz VIXLKMNAIOLVEJ-UWVGGRQHSA-N 0 3 239.319 -0.135 20 0 BBADHN CCCN1CC[C@H](NC(=O)[C@H]2CCC(=O)N2)C1 ZINC000619891816 369625507 /nfs/dbraw/zinc/62/55/07/369625507.db2.gz VIXLKMNAIOLVEJ-VHSXEESVSA-N 0 3 239.319 -0.135 20 0 BBADHN CCCN1CC[C@@H](NC(=O)[C@@H]2CCC(=O)N2)C1 ZINC000619891817 369625691 /nfs/dbraw/zinc/62/56/91/369625691.db2.gz VIXLKMNAIOLVEJ-ZJUUUORDSA-N 0 3 239.319 -0.135 20 0 BBADHN CCCN1CC[C@@H](NC(=O)[C@H](C)NC(N)=O)C1 ZINC000619892082 369624864 /nfs/dbraw/zinc/62/48/64/369624864.db2.gz CMMZOJZLDQINFN-DTWKUNHWSA-N 0 3 242.323 -0.356 20 0 BBADHN CCCN1CC[C@H](NC(=O)[C@H](C)NC(N)=O)C1 ZINC000619892083 369624923 /nfs/dbraw/zinc/62/49/23/369624923.db2.gz CMMZOJZLDQINFN-IUCAKERBSA-N 0 3 242.323 -0.356 20 0 BBADHN CCCN1CC[C@@H](NC(=O)CNC(N)=O)C1 ZINC000619892209 369625113 /nfs/dbraw/zinc/62/51/13/369625113.db2.gz FSEBUEZWQGAOEN-MRVPVSSYSA-N 0 3 228.296 -0.745 20 0 BBADHN CCCN1CC[C@H](NC(=O)CNC(N)=O)C1 ZINC000619892210 369626799 /nfs/dbraw/zinc/62/67/99/369626799.db2.gz FSEBUEZWQGAOEN-QMMMGPOBSA-N 0 3 228.296 -0.745 20 0 BBADHN CCCN1CC[C@@H](NC(=O)Cn2cnnn2)C1 ZINC000619893116 369626306 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20 0 BBADHN CNS(=O)(=O)CCN[C@H](CO)C(C)C ZINC000621275863 370206218 /nfs/dbraw/zinc/20/62/18/370206218.db2.gz LANJVJFVWBDGJE-MRVPVSSYSA-N 0 3 224.326 -0.858 20 0 BBADHN CNS(=O)(=O)CCN1CC[C@H]([C@@H](C)O)C1 ZINC000621275940 370206409 /nfs/dbraw/zinc/20/64/09/370206409.db2.gz NUTUIYMHSBPUOY-BDAKNGLRSA-N 0 3 236.337 -0.762 20 0 BBADHN CNS(=O)(=O)CCN1CC[C@@H]([C@H](C)O)C1 ZINC000621275941 370206824 /nfs/dbraw/zinc/20/68/24/370206824.db2.gz NUTUIYMHSBPUOY-DTWKUNHWSA-N 0 3 236.337 -0.762 20 0 BBADHN CNS(=O)(=O)CCN1CC[C@H]([C@H](C)O)C1 ZINC000621275942 370206899 /nfs/dbraw/zinc/20/68/99/370206899.db2.gz NUTUIYMHSBPUOY-IUCAKERBSA-N 0 3 236.337 -0.762 20 0 BBADHN CNS(=O)(=O)CCN1CC[C@@H]([C@@H](C)O)C1 ZINC000621275943 370206210 /nfs/dbraw/zinc/20/62/10/370206210.db2.gz NUTUIYMHSBPUOY-RKDXNWHRSA-N 0 3 236.337 -0.762 20 0 BBADHN CNS(=O)(=O)CCN[C@H](CO)C(C)(C)C ZINC000621276333 370207565 /nfs/dbraw/zinc/20/75/65/370207565.db2.gz BNGSJNMEFXHQBF-MRVPVSSYSA-N 0 3 238.353 -0.468 20 0 BBADHN CNS(=O)(=O)CCN[C@H](CCO)C(C)C ZINC000621277856 370209432 /nfs/dbraw/zinc/20/94/32/370209432.db2.gz XPUPLUANWCWAND-SECBINFHSA-N 0 3 238.353 -0.468 20 0 BBADHN CNS(=O)(=O)CCN[C@@H](CCO)C(C)C ZINC000621277857 370209348 /nfs/dbraw/zinc/20/93/48/370209348.db2.gz XPUPLUANWCWAND-VIFPVBQESA-N 0 3 238.353 -0.468 20 0 BBADHN CNS(=O)(=O)CCN[C@H](C)[C@H](C)CO ZINC000621278274 370209296 /nfs/dbraw/zinc/20/92/96/370209296.db2.gz JDGSKJZSCRYBCF-HTQZYQBOSA-N 0 3 224.326 -0.858 20 0 BBADHN CNS(=O)(=O)CCN[C@H](C)[C@@H](C)CO ZINC000621278275 370209652 /nfs/dbraw/zinc/20/96/52/370209652.db2.gz JDGSKJZSCRYBCF-JGVFFNPUSA-N 0 3 224.326 -0.858 20 0 BBADHN CNS(=O)(=O)CCN[C@@H](C)[C@H](C)CO ZINC000621278276 370209399 /nfs/dbraw/zinc/20/93/99/370209399.db2.gz JDGSKJZSCRYBCF-SFYZADRCSA-N 0 3 224.326 -0.858 20 0 BBADHN CNS(=O)(=O)CCN[C@@H](C)[C@@H](C)CO ZINC000621278277 370209070 /nfs/dbraw/zinc/20/90/70/370209070.db2.gz JDGSKJZSCRYBCF-YUMQZZPRSA-N 0 3 224.326 -0.858 20 0 BBADHN CNS(=O)(=O)CCN1CCC[C@]1(C)CO ZINC000621278944 370210856 /nfs/dbraw/zinc/21/08/56/370210856.db2.gz CAQHFRJEJABFDP-SECBINFHSA-N 0 3 236.337 -0.618 20 0 BBADHN CNS(=O)(=O)CCN1CCC[C@@]1(C)CO ZINC000621278945 370211043 /nfs/dbraw/zinc/21/10/43/370211043.db2.gz CAQHFRJEJABFDP-VIFPVBQESA-N 0 3 236.337 -0.618 20 0 BBADHN CNS(=O)(=O)CCN(C)CCN(C)C1CC1 ZINC000621280286 370211532 /nfs/dbraw/zinc/21/15/32/370211532.db2.gz RYNNJZVHDBGYJR-UHFFFAOYSA-N 0 3 249.380 -0.438 20 0 BBADHN CNS(=O)(=O)CCN1CCC[C@@H]1CCO ZINC000621282207 370213697 /nfs/dbraw/zinc/21/36/97/370213697.db2.gz XEZLIZJBHSMDIY-SECBINFHSA-N 0 3 236.337 -0.618 20 0 BBADHN CNS(=O)(=O)CCN1CCC[C@H]1CCO ZINC000621282208 370213588 /nfs/dbraw/zinc/21/35/88/370213588.db2.gz XEZLIZJBHSMDIY-VIFPVBQESA-N 0 3 236.337 -0.618 20 0 BBADHN CNS(=O)(=O)CCN1CC[C@@H](C)[C@@H]1CO ZINC000621284524 370215263 /nfs/dbraw/zinc/21/52/63/370215263.db2.gz VDZUBEDXRFFGEU-BDAKNGLRSA-N 0 3 236.337 -0.762 20 0 BBADHN CNS(=O)(=O)CCN1CC[C@H](C)[C@H]1CO ZINC000621284525 370214337 /nfs/dbraw/zinc/21/43/37/370214337.db2.gz VDZUBEDXRFFGEU-DTWKUNHWSA-N 0 3 236.337 -0.762 20 0 BBADHN CNS(=O)(=O)CCN1CC[C@H](C)[C@@H]1CO ZINC000621284526 370207882 /nfs/dbraw/zinc/20/78/82/370207882.db2.gz VDZUBEDXRFFGEU-IUCAKERBSA-N 0 3 236.337 -0.762 20 0 BBADHN CNS(=O)(=O)CCN1CC[C@@H](C)[C@H]1CO ZINC000621284527 370207560 /nfs/dbraw/zinc/20/75/60/370207560.db2.gz VDZUBEDXRFFGEU-RKDXNWHRSA-N 0 3 236.337 -0.762 20 0 BBADHN Cc1cc(CN2CC[C@](O)(C(N)=O)C2)ccn1 ZINC000621285128 370215165 /nfs/dbraw/zinc/21/51/65/370215165.db2.gz OILICEBNFCDWLG-GFCCVEGCSA-N 0 3 235.287 -0.188 20 0 BBADHN Cc1cc(CN2CC[C@@](O)(C(N)=O)C2)ccn1 ZINC000621285129 370214234 /nfs/dbraw/zinc/21/42/34/370214234.db2.gz OILICEBNFCDWLG-LBPRGKRZSA-N 0 3 235.287 -0.188 20 0 BBADHN CC[C@@]1(NCCS(=O)(=O)NC)CCOC1 ZINC000621285612 370215026 /nfs/dbraw/zinc/21/50/26/370215026.db2.gz DTORNLUPZBDEKW-SECBINFHSA-N 0 3 236.337 -0.306 20 0 BBADHN CC[C@]1(NCCS(=O)(=O)NC)CCOC1 ZINC000621285613 370215113 /nfs/dbraw/zinc/21/51/13/370215113.db2.gz DTORNLUPZBDEKW-VIFPVBQESA-N 0 3 236.337 -0.306 20 0 BBADHN CNS(=O)(=O)CCN[C@@]1(C)CCO[C@@H]1C ZINC000621286208 350538787 /nfs/dbraw/zinc/53/87/87/350538787.db2.gz BGQRVUBFNRDUQK-BDAKNGLRSA-N 0 3 236.337 -0.307 20 0 BBADHN CNS(=O)(=O)CCN[C@]1(C)CCO[C@H]1C ZINC000621286209 350538637 /nfs/dbraw/zinc/53/86/37/350538637.db2.gz BGQRVUBFNRDUQK-DTWKUNHWSA-N 0 3 236.337 -0.307 20 0 BBADHN CNS(=O)(=O)CCN[C@@]1(C)CCO[C@H]1C ZINC000621286210 350538824 /nfs/dbraw/zinc/53/88/24/350538824.db2.gz BGQRVUBFNRDUQK-IUCAKERBSA-N 0 3 236.337 -0.307 20 0 BBADHN CNS(=O)(=O)CCN[C@]1(C)CCO[C@@H]1C ZINC000621286211 350539027 /nfs/dbraw/zinc/53/90/27/350539027.db2.gz BGQRVUBFNRDUQK-RKDXNWHRSA-N 0 3 236.337 -0.307 20 0 BBADHN CNS(=O)(=O)CCN[C@@H](CO)C(C)(C)C ZINC000621287131 370216631 /nfs/dbraw/zinc/21/66/31/370216631.db2.gz BNGSJNMEFXHQBF-QMMMGPOBSA-N 0 3 238.353 -0.468 20 0 BBADHN CCN1CC[C@@H](N2CC[C@H](CC(N)=O)C2)C1=O ZINC000621295358 370220842 /nfs/dbraw/zinc/22/08/42/370220842.db2.gz GXZSKNRGEWUSTF-NXEZZACHSA-N 0 3 239.319 -0.196 20 0 BBADHN CCN1CC[C@H](N2CC[C@@H](CC(N)=O)C2)C1=O ZINC000621295359 370220595 /nfs/dbraw/zinc/22/05/95/370220595.db2.gz GXZSKNRGEWUSTF-UWVGGRQHSA-N 0 3 239.319 -0.196 20 0 BBADHN CCN1CC[C@@H](N2CC[C@@H](CC(N)=O)C2)C1=O ZINC000621295360 370220688 /nfs/dbraw/zinc/22/06/88/370220688.db2.gz GXZSKNRGEWUSTF-VHSXEESVSA-N 0 3 239.319 -0.196 20 0 BBADHN CCN1CC[C@H](N2CC[C@H](CC(N)=O)C2)C1=O ZINC000621295361 370220366 /nfs/dbraw/zinc/22/03/66/370220366.db2.gz GXZSKNRGEWUSTF-ZJUUUORDSA-N 0 3 239.319 -0.196 20 0 BBADHN CC(=O)[C@](C)(O)CN1CC[C@@H](CC(N)=O)C1 ZINC000621295825 370222104 /nfs/dbraw/zinc/22/21/04/370222104.db2.gz ZFKBDMIQQQMHNW-GXSJLCMTSA-N 0 3 228.292 -0.476 20 0 BBADHN CC(=O)[C@@](C)(O)CN1CC[C@H](CC(N)=O)C1 ZINC000621295826 370221552 /nfs/dbraw/zinc/22/15/52/370221552.db2.gz ZFKBDMIQQQMHNW-KOLCDFICSA-N 0 3 228.292 -0.476 20 0 BBADHN CC(=O)[C@](C)(O)CN1CC[C@H](CC(N)=O)C1 ZINC000621295827 370222448 /nfs/dbraw/zinc/22/24/48/370222448.db2.gz ZFKBDMIQQQMHNW-MWLCHTKSSA-N 0 3 228.292 -0.476 20 0 BBADHN CC(=O)[C@@](C)(O)CN1CC[C@@H](CC(N)=O)C1 ZINC000621295828 370222364 /nfs/dbraw/zinc/22/23/64/370222364.db2.gz ZFKBDMIQQQMHNW-ONGXEEELSA-N 0 3 228.292 -0.476 20 0 BBADHN CNS(=O)(=O)CCN[C@](C)(CO)C(C)C ZINC000621296117 370223377 /nfs/dbraw/zinc/22/33/77/370223377.db2.gz HXBAIMAIZDSMMG-SECBINFHSA-N 0 3 238.353 -0.468 20 0 BBADHN CNS(=O)(=O)CCN[C@@](C)(CO)C(C)C ZINC000621296118 370223511 /nfs/dbraw/zinc/22/35/11/370223511.db2.gz HXBAIMAIZDSMMG-VIFPVBQESA-N 0 3 238.353 -0.468 20 0 BBADHN CNS(=O)(=O)CCN1CC[C@@H]2CN(C)C[C@H]21 ZINC000621297300 370224688 /nfs/dbraw/zinc/22/46/88/370224688.db2.gz JGXUPAPHVSRLCU-NXEZZACHSA-N 0 3 247.364 -0.829 20 0 BBADHN CNS(=O)(=O)CCN1CC[C@H]2CN(C)C[C@@H]21 ZINC000621297301 370224830 /nfs/dbraw/zinc/22/48/30/370224830.db2.gz JGXUPAPHVSRLCU-UWVGGRQHSA-N 0 3 247.364 -0.829 20 0 BBADHN CNS(=O)(=O)CCN1CC[C@H]2CN(C)C[C@H]21 ZINC000621297302 370225217 /nfs/dbraw/zinc/22/52/17/370225217.db2.gz JGXUPAPHVSRLCU-VHSXEESVSA-N 0 3 247.364 -0.829 20 0 BBADHN CNS(=O)(=O)CCN1CC[C@@H]2CN(C)C[C@@H]21 ZINC000621297303 370224590 /nfs/dbraw/zinc/22/45/90/370224590.db2.gz JGXUPAPHVSRLCU-ZJUUUORDSA-N 0 3 247.364 -0.829 20 0 BBADHN CCOCC(C)(C)NCCS(=O)(=O)NC ZINC000621298148 370226150 /nfs/dbraw/zinc/22/61/50/370226150.db2.gz KPQSBEHLFHBFNM-UHFFFAOYSA-N 0 3 238.353 -0.060 20 0 BBADHN CNS(=O)(=O)CCN1C[C@@H]2CCN(C)[C@@H]2C1 ZINC000621299718 370227843 /nfs/dbraw/zinc/22/78/43/370227843.db2.gz NIKHVJNYOVDAOS-VHSXEESVSA-N 0 3 247.364 -0.829 20 0 BBADHN CNS(=O)(=O)CCN[C@@H]1CCC[C@H]1OC ZINC000621299908 370227748 /nfs/dbraw/zinc/22/77/48/370227748.db2.gz UUMWBFNURXDCCG-RKDXNWHRSA-N 0 3 236.337 -0.307 20 0 BBADHN CC[C@@H]1OCC[C@H]1NCCS(=O)(=O)NC ZINC000621301089 370230973 /nfs/dbraw/zinc/23/09/73/370230973.db2.gz JIGBUMSGQWZZAA-BDAKNGLRSA-N 0 3 236.337 -0.307 20 0 BBADHN CNS(=O)(=O)CCN(C)C[C@@H]1CCCN1C ZINC000621303022 370232887 /nfs/dbraw/zinc/23/28/87/370232887.db2.gz VKKFVYNYTREMQQ-JTQLQIEISA-N 0 3 249.380 -0.438 20 0 BBADHN CNS(=O)(=O)CCN(C)C[C@H]1CCCN1C ZINC000621303023 370232950 /nfs/dbraw/zinc/23/29/50/370232950.db2.gz VKKFVYNYTREMQQ-SNVBAGLBSA-N 0 3 249.380 -0.438 20 0 BBADHN CNS(=O)(=O)CCN1CC[C@@H]2OCC[C@@H]2C1 ZINC000621311276 370236161 /nfs/dbraw/zinc/23/61/61/370236161.db2.gz DWSFEAANKIHDQI-ZJUUUORDSA-N 0 3 248.348 -0.354 20 0 BBADHN CNS(=O)(=O)CCN[C@H](CO)C1CCC1 ZINC000621313888 370240175 /nfs/dbraw/zinc/24/01/75/370240175.db2.gz AIDWTGGOZSSBBM-SECBINFHSA-N 0 3 236.337 -0.714 20 0 BBADHN CNS(=O)(=O)CCN[C@@H](CO)C1CCC1 ZINC000621313889 370240309 /nfs/dbraw/zinc/24/03/09/370240309.db2.gz AIDWTGGOZSSBBM-VIFPVBQESA-N 0 3 236.337 -0.714 20 0 BBADHN CNS(=O)(=O)CCN1C[C@@H]2COC[C@@]2(C)C1 ZINC000621321564 370248890 /nfs/dbraw/zinc/24/88/90/370248890.db2.gz NSBJIFNXVPZXGR-NXEZZACHSA-N 0 3 248.348 -0.496 20 0 BBADHN CNS(=O)(=O)CCN1C[C@H]2COC[C@]2(C)C1 ZINC000621321565 370248907 /nfs/dbraw/zinc/24/89/07/370248907.db2.gz NSBJIFNXVPZXGR-UWVGGRQHSA-N 0 3 248.348 -0.496 20 0 BBADHN CNS(=O)(=O)CCN1C[C@H]2COC[C@@]2(C)C1 ZINC000621321566 370249220 /nfs/dbraw/zinc/24/92/20/370249220.db2.gz NSBJIFNXVPZXGR-VHSXEESVSA-N 0 3 248.348 -0.496 20 0 BBADHN CNS(=O)(=O)CCN1C[C@@H]2COC[C@]2(C)C1 ZINC000621321567 370249658 /nfs/dbraw/zinc/24/96/58/370249658.db2.gz NSBJIFNXVPZXGR-ZJUUUORDSA-N 0 3 248.348 -0.496 20 0 BBADHN CNS(=O)(=O)CCN1CCC[C@@H]1[C@H](C)O ZINC000621321765 370249050 /nfs/dbraw/zinc/24/90/50/370249050.db2.gz YMQUVMXYXNTURS-DTWKUNHWSA-N 0 3 236.337 -0.619 20 0 BBADHN CNS(=O)(=O)CCN1CCC[C@@H]1[C@@H](C)O ZINC000621321766 370248845 /nfs/dbraw/zinc/24/88/45/370248845.db2.gz YMQUVMXYXNTURS-RKDXNWHRSA-N 0 3 236.337 -0.619 20 0 BBADHN CNS(=O)(=O)CCN[C@@H]1C[C@H](O)C12CCC2 ZINC000621321794 370249566 /nfs/dbraw/zinc/24/95/66/370249566.db2.gz ZLYWNYCYOQRZIB-BDAKNGLRSA-N 0 3 248.348 -0.571 20 0 BBADHN CNS(=O)(=O)CCN[C@H]1C[C@@H](O)C12CCC2 ZINC000621321795 370249322 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/nfs/dbraw/zinc/24/94/42/370249442.db2.gz PAUGUZSKFRAPBH-ZJUUUORDSA-N 0 3 248.348 -0.496 20 0 BBADHN CN1CC[C@@H]2CN(c3nccn(C)c3=O)C[C@@H]21 ZINC000621324582 342850690 /nfs/dbraw/zinc/85/06/90/342850690.db2.gz QMZDZBRFEDLEST-ZJUUUORDSA-N 0 3 234.303 -0.079 20 0 BBADHN CCOc1cncc(CNC[C@H](O)CO)c1 ZINC000621350863 370285791 /nfs/dbraw/zinc/28/57/91/370285791.db2.gz WUKHWYACTUXUGB-JTQLQIEISA-N 0 3 226.276 -0.077 20 0 BBADHN CCOc1cncc(CNC[C@@H](O)CO)c1 ZINC000621350864 370285678 /nfs/dbraw/zinc/28/56/78/370285678.db2.gz WUKHWYACTUXUGB-SNVBAGLBSA-N 0 3 226.276 -0.077 20 0 BBADHN C[C@H](C(N)=O)N1CC[C@@H](C)[C@H](CO)C1 ZINC000621363239 370297921 /nfs/dbraw/zinc/29/79/21/370297921.db2.gz KMUXXRFPQQJBNH-HLTSFMKQSA-N 0 3 200.282 -0.190 20 0 BBADHN C[C@@H](C(N)=O)N1CC[C@@H](C)[C@@H](CO)C1 ZINC000621363240 370297694 /nfs/dbraw/zinc/29/76/94/370297694.db2.gz KMUXXRFPQQJBNH-HRDYMLBCSA-N 0 3 200.282 -0.190 20 0 BBADHN C[C@H](C(N)=O)N1CC[C@@H](C)[C@@H](CO)C1 ZINC000621363241 370297929 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370934652 /nfs/dbraw/zinc/93/46/52/370934652.db2.gz AIOSYVALJQWQCZ-CMPLNLGQSA-N 0 3 244.335 -0.424 20 0 BBADHN CN(C)C[C@@](C)(O)CNC(=O)[C@@H](O)C1CCC1 ZINC000622460026 370934435 /nfs/dbraw/zinc/93/44/35/370934435.db2.gz AIOSYVALJQWQCZ-JQWIXIFHSA-N 0 3 244.335 -0.424 20 0 BBADHN CN(C)C[C@@](C)(O)CNC(=O)[C@H](O)C1CCC1 ZINC000622460027 370934444 /nfs/dbraw/zinc/93/44/44/370934444.db2.gz AIOSYVALJQWQCZ-PWSUYJOCSA-N 0 3 244.335 -0.424 20 0 BBADHN CN(C)C[C@](C)(O)CNC(=O)[C@H](O)C1CCC1 ZINC000622460028 370934575 /nfs/dbraw/zinc/93/45/75/370934575.db2.gz AIOSYVALJQWQCZ-ZYHUDNBSSA-N 0 3 244.335 -0.424 20 0 BBADHN CC[C@H](O)CC(=O)NC[C@@](C)(O)CN(C)C ZINC000622460800 370934302 /nfs/dbraw/zinc/93/43/02/370934302.db2.gz YXOSDZOLYLFMAM-GXSJLCMTSA-N 0 3 232.324 -0.424 20 0 BBADHN CC[C@@H](O)CC(=O)NC[C@](C)(O)CN(C)C ZINC000622460801 370934631 /nfs/dbraw/zinc/93/46/31/370934631.db2.gz YXOSDZOLYLFMAM-KOLCDFICSA-N 0 3 232.324 -0.424 20 0 BBADHN CC[C@@H](O)CC(=O)NC[C@@](C)(O)CN(C)C ZINC000622460802 370934810 /nfs/dbraw/zinc/93/48/10/370934810.db2.gz YXOSDZOLYLFMAM-MWLCHTKSSA-N 0 3 232.324 -0.424 20 0 BBADHN CC[C@H](O)CC(=O)NC[C@](C)(O)CN(C)C ZINC000622460803 370934501 /nfs/dbraw/zinc/93/45/01/370934501.db2.gz YXOSDZOLYLFMAM-ONGXEEELSA-N 0 3 232.324 -0.424 20 0 BBADHN CN(C)C[C@@](C)(O)CNC(=O)C1CC(C)(O)C1 ZINC000622460833 370934377 /nfs/dbraw/zinc/93/43/77/370934377.db2.gz ZNGBKSWCGVDTBU-NHNAUAITSA-N 0 3 244.335 -0.424 20 0 BBADHN CN(C)C[C@](C)(O)CNC(=O)C1CC(C)(O)C1 ZINC000622460834 370934489 /nfs/dbraw/zinc/93/44/89/370934489.db2.gz ZNGBKSWCGVDTBU-QEWOUOOISA-N 0 3 244.335 -0.424 20 0 BBADHN CC[C@H](C(=O)NC1(CO)CC1)N(C)C ZINC000622461967 370935673 /nfs/dbraw/zinc/93/56/73/370935673.db2.gz HPVJJLYEGKYXSN-MRVPVSSYSA-N 0 3 200.282 -0.032 20 0 BBADHN CC[C@@H](C(=O)NC1(CO)CC1)N(C)C ZINC000622461968 370935504 /nfs/dbraw/zinc/93/55/04/370935504.db2.gz HPVJJLYEGKYXSN-QMMMGPOBSA-N 0 3 200.282 -0.032 20 0 BBADHN CN1CN(C(=O)C2CCN(C)CC2)CC1=O ZINC000622484262 370950655 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BBADHN C[C@@H]1CCC[C@@H]1Nc1nc(N)nc(N)n1 ZINC000623942702 371170657 /nfs/dbraw/zinc/17/06/57/371170657.db2.gz QWWXTNOOINWSGP-RITPCOANSA-N 0 3 208.269 -0.281 20 0 BBADHN C[C@H]1CCC[C@@H]1Nc1nc(N)nc(N)n1 ZINC000623942703 371170345 /nfs/dbraw/zinc/17/03/45/371170345.db2.gz QWWXTNOOINWSGP-WDSKDSINSA-N 0 3 208.269 -0.281 20 0 BBADHN Nc1nc(N)nc(N2CCC(CCO)CC2)n1 ZINC000623952796 371176430 /nfs/dbraw/zinc/17/64/30/371176430.db2.gz BSICPVGLULPIFF-UHFFFAOYSA-N 0 3 238.295 -0.704 20 0 BBADHN Cc1noc(C)c1CCNc1nc(N)nc(N)n1 ZINC000623953889 371176539 /nfs/dbraw/zinc/17/65/39/371176539.db2.gz VFTPKRGBWNVNQQ-UHFFFAOYSA-N 0 3 249.278 -0.622 20 0 BBADHN CCOCCN(CC)c1nc(N)nc(N)n1 ZINC000623954115 371177605 /nfs/dbraw/zinc/17/76/05/371177605.db2.gz AJOQGMRMGSECCX-UHFFFAOYSA-N 0 3 226.284 -0.440 20 0 BBADHN CN(C[C@H]1CCCOC1)c1nc(N)nc(N)n1 ZINC000623954922 371177748 /nfs/dbraw/zinc/17/77/48/371177748.db2.gz FSELALDVNLTZGE-SSDOTTSWSA-N 0 3 238.295 -0.440 20 0 BBADHN CN(C[C@@H]1CCCOC1)c1nc(N)nc(N)n1 ZINC000623954923 371177639 /nfs/dbraw/zinc/17/76/39/371177639.db2.gz FSELALDVNLTZGE-ZETCQYMHSA-N 0 3 238.295 -0.440 20 0 BBADHN CCN1CCCN(c2nc(N)nc(N)n2)CC1 ZINC000623955585 371195809 /nfs/dbraw/zinc/19/58/09/371195809.db2.gz FWPDGYQWFFMGQF-UHFFFAOYSA-N 0 3 237.311 -0.771 20 0 BBADHN Nc1nc(N)nc(N[C@@H]2CCN(CC3CC3)C2)n1 ZINC000623955915 371196307 /nfs/dbraw/zinc/19/63/07/371196307.db2.gz OEOHVJMTTPESAZ-MRVPVSSYSA-N 0 3 249.322 -0.985 20 0 BBADHN Nc1nc(N)nc(N[C@H]2CCN(CC3CC3)C2)n1 ZINC000623955916 371196040 /nfs/dbraw/zinc/19/60/40/371196040.db2.gz OEOHVJMTTPESAZ-QMMMGPOBSA-N 0 3 249.322 -0.985 20 0 BBADHN CCCCN(CCOC)c1nc(N)nc(N)n1 ZINC000623959323 371197078 /nfs/dbraw/zinc/19/70/78/371197078.db2.gz NDNLOVUFXSCJCC-UHFFFAOYSA-N 0 3 240.311 -0.050 20 0 BBADHN Cc1ccc(CCNc2nc(N)nc(N)n2)cn1 ZINC000623961715 371199200 /nfs/dbraw/zinc/19/92/00/371199200.db2.gz LSMWKTWTGTZVGN-UHFFFAOYSA-N 0 3 245.290 -0.523 20 0 BBADHN CN(CCn1cccn1)c1nc(N)nc(N)n1 ZINC000623961975 371199021 /nfs/dbraw/zinc/19/90/21/371199021.db2.gz TZFDVLHVXWNCCX-UHFFFAOYSA-N 0 3 234.267 -0.970 20 0 BBADHN CC[C@H]1CN(c2nc(N)nc(N)n2)C[C@H](C)O1 ZINC000623961992 371199102 /nfs/dbraw/zinc/19/91/02/371199102.db2.gz UMTSKBLIVNZKPE-BQBZGAKWSA-N 0 3 238.295 -0.300 20 0 BBADHN CC[C@@H]1CN(c2nc(N)nc(N)n2)C[C@H](C)O1 ZINC000623961993 371198875 /nfs/dbraw/zinc/19/88/75/371198875.db2.gz UMTSKBLIVNZKPE-NKWVEPMBSA-N 0 3 238.295 -0.300 20 0 BBADHN CC[C@@H]1CN(c2nc(N)nc(N)n2)C[C@@H](C)O1 ZINC000623961994 371198348 /nfs/dbraw/zinc/19/83/48/371198348.db2.gz UMTSKBLIVNZKPE-RNFRBKRXSA-N 0 3 238.295 -0.300 20 0 BBADHN CC[C@H]1CN(c2nc(N)nc(N)n2)C[C@@H](C)O1 ZINC000623961995 371198437 /nfs/dbraw/zinc/19/84/37/371198437.db2.gz UMTSKBLIVNZKPE-RQJHMYQMSA-N 0 3 238.295 -0.300 20 0 BBADHN CCC(CC)[C@H](O)CNc1nc(N)nc(N)n1 ZINC000623962282 371199911 /nfs/dbraw/zinc/19/99/11/371199911.db2.gz BNRQWFBEWXUDQM-SSDOTTSWSA-N 0 3 240.311 -0.672 20 0 BBADHN CCC(CC)[C@@H](O)CNc1nc(N)nc(N)n1 ZINC000623962283 371200466 /nfs/dbraw/zinc/20/04/66/371200466.db2.gz BNRQWFBEWXUDQM-ZETCQYMHSA-N 0 3 240.311 -0.672 20 0 BBADHN CN(c1nc(N)nc(N)n1)[C@@H]1CCN(C2CC2)C1 ZINC000623963826 371199841 /nfs/dbraw/zinc/19/98/41/371199841.db2.gz QCCSBTNVEZJUIJ-MRVPVSSYSA-N 0 3 249.322 -0.630 20 0 BBADHN CN(c1nc(N)nc(N)n1)[C@H]1CCN(C2CC2)C1 ZINC000623963827 371200541 /nfs/dbraw/zinc/20/05/41/371200541.db2.gz QCCSBTNVEZJUIJ-QMMMGPOBSA-N 0 3 249.322 -0.630 20 0 BBADHN CN(Cc1cc[nH]n1)c1nc(N)nc(N)n1 ZINC000623964789 371201660 /nfs/dbraw/zinc/20/16/60/371201660.db2.gz QUYXVOVNTFMZAV-UHFFFAOYSA-N 0 3 220.240 -0.944 20 0 BBADHN CCN(CC1CC1)c1nc(N)nc(N)n1 ZINC000623965007 371201317 /nfs/dbraw/zinc/20/13/17/371201317.db2.gz WZYSOVIBCZJWJX-UHFFFAOYSA-N 0 3 208.269 -0.067 20 0 BBADHN CCC[C@@](C)(O)CNc1nc(N)nc(N)n1 ZINC000623966164 488160955 /nfs/dbraw/zinc/16/09/55/488160955.db2.gz GQSCWUQVYDONKV-SECBINFHSA-N 0 3 226.284 -0.918 20 0 BBADHN CCC[C@](C)(O)CNc1nc(N)nc(N)n1 ZINC000623966165 488160679 /nfs/dbraw/zinc/16/06/79/488160679.db2.gz GQSCWUQVYDONKV-VIFPVBQESA-N 0 3 226.284 -0.918 20 0 BBADHN COCC1CCN(c2nc(N)nc(N)n2)CC1 ZINC000623966544 398314862 /nfs/dbraw/zinc/31/48/62/398314862.db2.gz WNCZOOORJIYJLI-UHFFFAOYSA-N 0 3 238.295 -0.440 20 0 BBADHN CC[C@@H](C)[C@@](C)(O)CNc1nc(N)nc(N)n1 ZINC000623966589 398314997 /nfs/dbraw/zinc/31/49/97/398314997.db2.gz XPQILHCIBAFZCN-LDWIPMOCSA-N 0 3 240.311 -0.672 20 0 BBADHN CC[C@@H](C)[C@](C)(O)CNc1nc(N)nc(N)n1 ZINC000623966590 398315044 /nfs/dbraw/zinc/31/50/44/398315044.db2.gz XPQILHCIBAFZCN-LHLIQPBNSA-N 0 3 240.311 -0.672 20 0 BBADHN CC[C@H](C)[C@](C)(O)CNc1nc(N)nc(N)n1 ZINC000623966591 398314840 /nfs/dbraw/zinc/31/48/40/398314840.db2.gz XPQILHCIBAFZCN-QUBYGPBYSA-N 0 3 240.311 -0.672 20 0 BBADHN CC[C@H](C)[C@@](C)(O)CNc1nc(N)nc(N)n1 ZINC000623966592 398314935 /nfs/dbraw/zinc/31/49/35/398314935.db2.gz XPQILHCIBAFZCN-WKEGUHRASA-N 0 3 240.311 -0.672 20 0 BBADHN CC1(C)C[C@@H]1CNc1nc(N)nc(N)n1 ZINC000623967246 356659063 /nfs/dbraw/zinc/65/90/63/356659063.db2.gz SITLOLZLSFVAEO-RXMQYKEDSA-N 0 3 208.269 -0.423 20 0 BBADHN CC1(C)C[C@H]1CNc1nc(N)nc(N)n1 ZINC000623967247 356659235 /nfs/dbraw/zinc/65/92/35/356659235.db2.gz SITLOLZLSFVAEO-YFKPBYRVSA-N 0 3 208.269 -0.423 20 0 BBADHN COC[C@@H]1CCCN(c2nc(N)nc(N)n2)C1 ZINC000623969709 371204638 /nfs/dbraw/zinc/20/46/38/371204638.db2.gz QXZJQUVSQDCJHK-SSDOTTSWSA-N 0 3 238.295 -0.440 20 0 BBADHN COC[C@H]1CCCN(c2nc(N)nc(N)n2)C1 ZINC000623969710 371205029 /nfs/dbraw/zinc/20/50/29/371205029.db2.gz QXZJQUVSQDCJHK-ZETCQYMHSA-N 0 3 238.295 -0.440 20 0 BBADHN Nc1nc(N)nc(NCC2CCSCC2)n1 ZINC000623970044 371206261 /nfs/dbraw/zinc/20/62/61/371206261.db2.gz BIVYKPVZOQNHTM-UHFFFAOYSA-N 0 3 240.336 -0.326 20 0 BBADHN Nc1nc(N)nc(N2CCN(C3CCC3)CC2)n1 ZINC000623970516 371206461 /nfs/dbraw/zinc/20/64/61/371206461.db2.gz RBXDVCMQYKBKRR-UHFFFAOYSA-N 0 3 249.322 -0.629 20 0 BBADHN Cc1noc(C)c1[C@H](C)Nc1nc(N)nc(N)n1 ZINC000623971212 356737318 /nfs/dbraw/zinc/73/73/18/356737318.db2.gz OCNYZXSLNVBMSO-BYPYZUCNSA-N 0 3 249.278 -0.103 20 0 BBADHN Cc1noc(C)c1[C@@H](C)Nc1nc(N)nc(N)n1 ZINC000623971213 356737376 /nfs/dbraw/zinc/73/73/76/356737376.db2.gz OCNYZXSLNVBMSO-SCSAIBSYSA-N 0 3 249.278 -0.103 20 0 BBADHN CC(C)c1cc(CNc2nc(N)nc(N)n2)on1 ZINC000623971697 371207813 /nfs/dbraw/zinc/20/78/13/371207813.db2.gz CWOJALVWTGJZAO-UHFFFAOYSA-N 0 3 249.278 -0.158 20 0 BBADHN CCn1cc(CN(C)c2nc(N)nc(N)n2)cn1 ZINC000623971994 371207714 /nfs/dbraw/zinc/20/77/14/371207714.db2.gz NTZUZEONMUADJY-UHFFFAOYSA-N 0 3 248.294 -0.450 20 0 BBADHN CCN(CC(C)(C)O)c1nc(N)nc(N)n1 ZINC000623972006 371207996 /nfs/dbraw/zinc/20/79/96/371207996.db2.gz OAOBXZHGBOJFCE-UHFFFAOYSA-N 0 3 226.284 -0.706 20 0 BBADHN C[C@@H](CNC(=O)[C@@H](C)[C@@H]1CCC(=O)N1)N(C)C ZINC000623975390 371210921 /nfs/dbraw/zinc/21/09/21/371210921.db2.gz DHUDYQGLPBWHSZ-GUBZILKMSA-N 0 3 241.335 -0.033 20 0 BBADHN C[C@H](CNC(=O)[C@@H](C)[C@H]1CCC(=O)N1)N(C)C ZINC000623975391 371210348 /nfs/dbraw/zinc/21/03/48/371210348.db2.gz DHUDYQGLPBWHSZ-KXUCPTDWSA-N 0 3 241.335 -0.033 20 0 BBADHN C[C@@H](CNC(=O)[C@@H](C)[C@H]1CCC(=O)N1)N(C)C ZINC000623975392 371210329 /nfs/dbraw/zinc/21/03/29/371210329.db2.gz DHUDYQGLPBWHSZ-LPEHRKFASA-N 0 3 241.335 -0.033 20 0 BBADHN C[C@H](CNC(=O)[C@@H](C)[C@@H]1CCC(=O)N1)N(C)C ZINC000623975393 371210358 /nfs/dbraw/zinc/21/03/58/371210358.db2.gz DHUDYQGLPBWHSZ-UTLUCORTSA-N 0 3 241.335 -0.033 20 0 BBADHN C[C@H](CNC(=O)c1cc(=O)[n-]cn1)[NH+](C)C ZINC000623975876 371210546 /nfs/dbraw/zinc/21/05/46/371210546.db2.gz RZUZBCLXYQMLRW-SSDOTTSWSA-N 0 3 224.264 -0.138 20 0 BBADHN C[C@@H](CNC(=O)c1cc(=O)[n-]cn1)[NH+](C)C ZINC000623975877 371210525 /nfs/dbraw/zinc/21/05/25/371210525.db2.gz RZUZBCLXYQMLRW-ZETCQYMHSA-N 0 3 224.264 -0.138 20 0 BBADHN C[C@@H](CNC(=O)[C@@H]1CC[C@H](C(N)=O)O1)N(C)C ZINC000623975906 371210731 /nfs/dbraw/zinc/21/07/31/371210731.db2.gz SSWRSCSYZUSUOT-YIZRAAEISA-N 0 3 243.307 -0.914 20 0 BBADHN CN(Cc1ncc[nH]1)c1nc(N)nc(N)n1 ZINC000623976558 356890928 /nfs/dbraw/zinc/89/09/28/356890928.db2.gz OCGBKZKDXLRACI-UHFFFAOYSA-N 0 3 220.240 -0.944 20 0 BBADHN CC[C@H]1COCCN1c1nc(N)nc(N)n1 ZINC000623976680 371211766 /nfs/dbraw/zinc/21/17/66/371211766.db2.gz RSKQYWJKYGGTPA-LURJTMIESA-N 0 3 224.268 -0.688 20 0 BBADHN CC[C@@H]1COCCN1c1nc(N)nc(N)n1 ZINC000623976681 371211607 /nfs/dbraw/zinc/21/16/07/371211607.db2.gz RSKQYWJKYGGTPA-ZCFIWIBFSA-N 0 3 224.268 -0.688 20 0 BBADHN CC(C)(C)C[C@H](O)CNc1nc(N)nc(N)n1 ZINC000623979507 371212957 /nfs/dbraw/zinc/21/29/57/371212957.db2.gz GNMBBWBCLYPQTD-LURJTMIESA-N 0 3 240.311 -0.672 20 0 BBADHN CC(C)(C)C[C@@H](O)CNc1nc(N)nc(N)n1 ZINC000623979508 371213029 /nfs/dbraw/zinc/21/30/29/371213029.db2.gz GNMBBWBCLYPQTD-ZCFIWIBFSA-N 0 3 240.311 -0.672 20 0 BBADHN CC1(C)CN(c2nc(N)nc(N)n2)CCCO1 ZINC000623979608 371213115 /nfs/dbraw/zinc/21/31/15/371213115.db2.gz HFJOUOAUJJPCBW-UHFFFAOYSA-N 0 3 238.295 -0.298 20 0 BBADHN Nc1nc(N)nc(NCCc2cscn2)n1 ZINC000623981511 371214369 /nfs/dbraw/zinc/21/43/69/371214369.db2.gz HCNDSROQLQWFJB-UHFFFAOYSA-N 0 3 237.292 -0.770 20 0 BBADHN Nc1nc(N)nc(NCCCC2CC2)n1 ZINC000623982286 371215814 /nfs/dbraw/zinc/21/58/14/371215814.db2.gz MAFBLPQCVHSFNB-UHFFFAOYSA-N 0 3 208.269 -0.279 20 0 BBADHN CCCC[C@H](COC)Nc1nc(N)nc(N)n1 ZINC000623982298 357503360 /nfs/dbraw/zinc/50/33/60/357503360.db2.gz MPVVZUPAJSKHAE-SSDOTTSWSA-N 0 3 240.311 -0.264 20 0 BBADHN CCCC[C@@H](COC)Nc1nc(N)nc(N)n1 ZINC000623982299 357502904 /nfs/dbraw/zinc/50/29/04/357502904.db2.gz MPVVZUPAJSKHAE-ZETCQYMHSA-N 0 3 240.311 -0.264 20 0 BBADHN Nc1nc(N)nc(N[C@H]2CC=CCC2)n1 ZINC000623982316 371216024 /nfs/dbraw/zinc/21/60/24/371216024.db2.gz NVWMSMKYPRZSDY-LURJTMIESA-N 0 3 206.253 -0.361 20 0 BBADHN Nc1nc(N)nc(N[C@@H]2CC=CCC2)n1 ZINC000623982317 371215856 /nfs/dbraw/zinc/21/58/56/371215856.db2.gz NVWMSMKYPRZSDY-ZCFIWIBFSA-N 0 3 206.253 -0.361 20 0 BBADHN CC(C)n1ccc(CNc2nc(N)nc(N)n2)n1 ZINC000623984706 371218670 /nfs/dbraw/zinc/21/86/70/371218670.db2.gz TYWWABGJRGCKOB-UHFFFAOYSA-N 0 3 248.294 -0.492 20 0 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219.266 -0.390 20 0 BBADHN Cc1nocc1S(=O)(=O)N1CCCNCC1 ZINC000631900949 362898085 /nfs/dbraw/zinc/89/80/85/362898085.db2.gz MSKKARWVZYOAKQ-UHFFFAOYSA-N 0 3 245.304 -0.033 20 0 BBADHN CN(C)CCCS(=O)(=O)N1CCCNCC1 ZINC000631901292 372688765 /nfs/dbraw/zinc/68/87/65/372688765.db2.gz XYPPTYYMAZUFMA-UHFFFAOYSA-N 0 3 249.380 -0.437 20 0 BBADHN Cc1nocc1S(=O)(=O)[N-][C@@H]1CC[NH2+]C1 ZINC000631902036 372690947 /nfs/dbraw/zinc/69/09/47/372690947.db2.gz SBBWDINLMHSLKX-SSDOTTSWSA-N 0 3 231.277 -0.377 20 0 BBADHN Cc1nocc1S(=O)(=O)[N-][C@H]1CC[NH2+]C1 ZINC000631902037 372690317 /nfs/dbraw/zinc/69/03/17/372690317.db2.gz SBBWDINLMHSLKX-ZETCQYMHSA-N 0 3 231.277 -0.377 20 0 BBADHN CC[NH2+]CCC[N-]S(=O)(=O)c1nncn1C ZINC000631902221 372690434 /nfs/dbraw/zinc/69/04/34/372690434.db2.gz VTVSHIMPNUVQPN-UHFFFAOYSA-N 0 3 247.324 -0.907 20 0 BBADHN C[NH2+]CCC[N-]S(=O)(=O)c1conc1C ZINC000631902257 372690550 /nfs/dbraw/zinc/69/05/50/372690550.db2.gz WZIPRVPCORMRGQ-UHFFFAOYSA-N 0 3 233.293 -0.129 20 0 BBADHN C[NH2+]CC[N-]S(=O)(=O)c1cc(C)ns1 ZINC000631902334 372689761 /nfs/dbraw/zinc/68/97/61/372689761.db2.gz IFBMQFXTPFGFME-UHFFFAOYSA-N 0 3 235.334 -0.051 20 0 BBADHN C[C@H]1CNCCN1S(=O)(=O)CCCN(C)C ZINC000631902697 372689899 /nfs/dbraw/zinc/68/98/99/372689899.db2.gz OYVRQKPMYRHBOK-JTQLQIEISA-N 0 3 249.380 -0.438 20 0 BBADHN C[C@@H]1CNCCN1S(=O)(=O)CCCN(C)C ZINC000631902698 372689872 /nfs/dbraw/zinc/68/98/72/372689872.db2.gz OYVRQKPMYRHBOK-SNVBAGLBSA-N 0 3 249.380 -0.438 20 0 BBADHN Cc1nocc1S(=O)(=O)[N-]CC[C@H](C)[NH3+] ZINC000631902900 362910284 /nfs/dbraw/zinc/91/02/84/362910284.db2.gz UIRLDWBUHHKFAX-LURJTMIESA-N 0 3 233.293 -0.001 20 0 BBADHN Cc1nocc1S(=O)(=O)[N-]C(C)(C)C[NH3+] ZINC000631903620 372689641 /nfs/dbraw/zinc/68/96/41/372689641.db2.gz OMJYGDOTWDFDEK-UHFFFAOYSA-N 0 3 233.293 -0.001 20 0 BBADHN C[NH2+]CC[N-]S(=O)(=O)c1conc1C ZINC000631903779 362912860 /nfs/dbraw/zinc/91/28/60/362912860.db2.gz UKSCTQLJCDMYEC-UHFFFAOYSA-N 0 3 219.266 -0.519 20 0 BBADHN CC[NH2+]CC[N-]S(=O)(=O)c1conc1C ZINC000631903882 362913181 /nfs/dbraw/zinc/91/31/81/362913181.db2.gz XNJQZENIMWCVKA-UHFFFAOYSA-N 0 3 233.293 -0.129 20 0 BBADHN CC(F)(F)CCS(=O)(=O)NC1CNC1 ZINC000631903986 372689662 /nfs/dbraw/zinc/68/96/62/372689662.db2.gz AFIMXVSLZYIRIT-UHFFFAOYSA-N 0 3 228.264 -0.077 20 0 BBADHN C[C@H]1CN(S(=O)(=O)CCCN(C)C)CCN1 ZINC000631904017 372690270 /nfs/dbraw/zinc/69/02/70/372690270.db2.gz AZZOYBMCKBJBIX-JTQLQIEISA-N 0 3 249.380 -0.438 20 0 BBADHN C[C@@H]1CN(S(=O)(=O)CCCN(C)C)CCN1 ZINC000631904018 372690081 /nfs/dbraw/zinc/69/00/81/372690081.db2.gz AZZOYBMCKBJBIX-SNVBAGLBSA-N 0 3 249.380 -0.438 20 0 BBADHN O=c1[nH]cc(S(=O)(=O)[N-]C2C[NH2+]C2)s1 ZINC000631904047 372690352 /nfs/dbraw/zinc/69/03/52/372690352.db2.gz BSBPNNPXRZDFOJ-UHFFFAOYSA-N 0 3 235.290 -0.901 20 0 BBADHN Cc1nocc1S(=O)(=O)[N-]C1C[NH2+]C1 ZINC000631904595 372690395 /nfs/dbraw/zinc/69/03/95/372690395.db2.gz SJGGXHHXIWEBJS-UHFFFAOYSA-N 0 3 217.250 -0.767 20 0 BBADHN O=S(=O)(C[C@@H]1CCC1(F)F)NC1CNC1 ZINC000631904690 372690076 /nfs/dbraw/zinc/69/00/76/372690076.db2.gz VTZWMOHTAOIUMC-LURJTMIESA-N 0 3 240.275 -0.077 20 0 BBADHN O=S(=O)(C[C@H]1CCC1(F)F)NC1CNC1 ZINC000631904691 372689805 /nfs/dbraw/zinc/68/98/05/372689805.db2.gz VTZWMOHTAOIUMC-ZCFIWIBFSA-N 0 3 240.275 -0.077 20 0 BBADHN Cc1nocc1S(=O)(=O)[N-][C@H](C[NH3+])C1CC1 ZINC000631906114 372691824 /nfs/dbraw/zinc/69/18/24/372691824.db2.gz DETYSVYWYJWHIW-MRVPVSSYSA-N 0 3 245.304 -0.001 20 0 BBADHN Cc1nocc1S(=O)(=O)[N-][C@@H](C[NH3+])C1CC1 ZINC000631906115 372692620 /nfs/dbraw/zinc/69/26/20/372692620.db2.gz DETYSVYWYJWHIW-QMMMGPOBSA-N 0 3 245.304 -0.001 20 0 BBADHN Cc1nocc1S(=O)(=O)[N-]CC(C)(C)[NH3+] ZINC000631906844 372691548 /nfs/dbraw/zinc/69/15/48/372691548.db2.gz WYETVCNMVBGIQQ-UHFFFAOYSA-N 0 3 233.293 -0.001 20 0 BBADHN Cc1nocc1S(=O)(=O)[N-][C@H](C)C[NH3+] ZINC000631929572 372696610 /nfs/dbraw/zinc/69/66/10/372696610.db2.gz JNAFUHLGQODPHT-RXMQYKEDSA-N 0 3 219.266 -0.391 20 0 BBADHN Cc1nocc1S(=O)(=O)[N-][C@@H](C)CC[NH3+] ZINC000631931146 372696708 /nfs/dbraw/zinc/69/67/08/372696708.db2.gz GWRNJKKJMZQVLA-LURJTMIESA-N 0 3 233.293 -0.001 20 0 BBADHN Cc1nocc1S(=O)(=O)[N-][C@H](C)CC[NH3+] ZINC000631931147 372696127 /nfs/dbraw/zinc/69/61/27/372696127.db2.gz GWRNJKKJMZQVLA-ZCFIWIBFSA-N 0 3 233.293 -0.001 20 0 BBADHN Cc1nocc1S(=O)(=O)[N-][C@H]1C[C@@H]([NH3+])C1 ZINC000631931635 372696816 /nfs/dbraw/zinc/69/68/16/372696816.db2.gz GBXMNWDIECCMOZ-KNVOCYPGSA-N 0 3 231.277 -0.249 20 0 BBADHN Cc1nocc1S(=O)(=O)[N-][C@H]1C[C@H]([NH3+])C1 ZINC000631931636 372697049 /nfs/dbraw/zinc/69/70/49/372697049.db2.gz GBXMNWDIECCMOZ-LJGSYFOKSA-N 0 3 231.277 -0.249 20 0 BBADHN Cc1nocc1S(=O)(=O)[N-]C[C@@H](C)[NH3+] ZINC000631931685 372697178 /nfs/dbraw/zinc/69/71/78/372697178.db2.gz HCUQPLLVZCUMCZ-RXMQYKEDSA-N 0 3 219.266 -0.391 20 0 BBADHN Cc1nocc1S(=O)(=O)[N-]C[C@H](C)[NH3+] ZINC000631931686 372696397 /nfs/dbraw/zinc/69/63/97/372696397.db2.gz HCUQPLLVZCUMCZ-YFKPBYRVSA-N 0 3 219.266 -0.391 20 0 BBADHN Cc1nocc1S(=O)(=O)[N-]C[C@@H]([NH3+])C1CC1 ZINC000631932718 372696833 /nfs/dbraw/zinc/69/68/33/372696833.db2.gz YVRZQEXHTAQJOX-MRVPVSSYSA-N 0 3 245.304 -0.001 20 0 BBADHN Cc1nocc1S(=O)(=O)[N-]C[C@H]([NH3+])C1CC1 ZINC000631932719 372696258 /nfs/dbraw/zinc/69/62/58/372696258.db2.gz YVRZQEXHTAQJOX-QMMMGPOBSA-N 0 3 245.304 -0.001 20 0 BBADHN Cc1nocc1S(=O)(=O)[N-]C[C@@H](C)C[NH3+] ZINC000631932720 372696376 /nfs/dbraw/zinc/69/63/76/372696376.db2.gz YVXLZKXOTCOIMI-LURJTMIESA-N 0 3 233.293 -0.144 20 0 BBADHN Cc1nocc1S(=O)(=O)[N-]C[C@H](C)C[NH3+] ZINC000631932721 372697170 /nfs/dbraw/zinc/69/71/70/372697170.db2.gz YVXLZKXOTCOIMI-ZCFIWIBFSA-N 0 3 233.293 -0.144 20 0 BBADHN CC[NH2+][C@H](C)C[N-]S(=O)(=O)c1nncn1C ZINC000631933729 372698166 /nfs/dbraw/zinc/69/81/66/372698166.db2.gz IHFHLQXFQFSGPG-SSDOTTSWSA-N 0 3 247.324 -0.909 20 0 BBADHN CCC[NH2+]CC[N-]S(=O)(=O)c1nncn1C ZINC000631933938 372698491 /nfs/dbraw/zinc/69/84/91/372698491.db2.gz WWKPGAZOXRCRPD-UHFFFAOYSA-N 0 3 247.324 -0.907 20 0 BBADHN CN(C1CNC1)S(=O)(=O)c1c[nH]c(=O)s1 ZINC000631937490 372698634 /nfs/dbraw/zinc/69/86/34/372698634.db2.gz HPDOHHGVSHYVQN-UHFFFAOYSA-N 0 3 249.317 -0.559 20 0 BBADHN CN(C)C1(CS(=O)(=O)N(C)C2CNC2)CC1 ZINC000631937852 362992012 /nfs/dbraw/zinc/99/20/12/362992012.db2.gz MYJJQEZAKHFJOM-UHFFFAOYSA-N 0 3 247.364 -0.686 20 0 BBADHN Cc1nocc1S(=O)(=O)N(C)C1CNC1 ZINC000631937920 372698207 /nfs/dbraw/zinc/69/82/07/372698207.db2.gz ODDOXGLORGRMSG-UHFFFAOYSA-N 0 3 231.277 -0.425 20 0 BBADHN Cc1nocc1S(=O)(=O)[N-][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000631938454 372700092 /nfs/dbraw/zinc/70/00/92/372700092.db2.gz DNSBHDIPBMUXOG-QMSLJYSESA-N 0 3 243.288 -0.521 20 0 BBADHN CC[C@@H]([NH3+])C[N-]S(=O)(=O)c1conc1C ZINC000631939913 372699928 /nfs/dbraw/zinc/69/99/28/372699928.db2.gz LGUGSHNZGSXLDU-SSDOTTSWSA-N 0 3 233.293 -0.001 20 0 BBADHN CC[C@H]([NH3+])C[N-]S(=O)(=O)c1conc1C ZINC000631939914 372699552 /nfs/dbraw/zinc/69/95/52/372699552.db2.gz LGUGSHNZGSXLDU-ZETCQYMHSA-N 0 3 233.293 -0.001 20 0 BBADHN Cc1nocc1S(=O)(=O)[N-][C@H](C)[C@H](C)[NH3+] ZINC000631939930 372700217 /nfs/dbraw/zinc/70/02/17/372700217.db2.gz LLFXGDNOEUOHLR-NTSWFWBYSA-N 0 3 233.293 -0.003 20 0 BBADHN Cc1nocc1S(=O)(=O)[N-][C@H](C)[C@@H](C)[NH3+] ZINC000631939931 372699910 /nfs/dbraw/zinc/69/99/10/372699910.db2.gz LLFXGDNOEUOHLR-PHDIDXHHSA-N 0 3 233.293 -0.003 20 0 BBADHN Cc1nocc1S(=O)(=O)[N-][C@@H](C)[C@@H](C)[NH3+] ZINC000631939932 372699834 /nfs/dbraw/zinc/69/98/34/372699834.db2.gz LLFXGDNOEUOHLR-RITPCOANSA-N 0 3 233.293 -0.003 20 0 BBADHN Cc1nocc1S(=O)(=O)[N-][C@@H](C)[C@H](C)[NH3+] ZINC000631939933 372698763 /nfs/dbraw/zinc/69/87/63/372698763.db2.gz LLFXGDNOEUOHLR-WDSKDSINSA-N 0 3 233.293 -0.003 20 0 BBADHN C[NH2+]C[C@H](C)[N-]S(=O)(=O)c1conc1C ZINC000631952669 372703257 /nfs/dbraw/zinc/70/32/57/372703257.db2.gz PPAXAPDUUHKTAB-LURJTMIESA-N 0 3 233.293 -0.131 20 0 BBADHN C[NH2+]C[C@@H](C)[N-]S(=O)(=O)c1conc1C ZINC000631952670 372703383 /nfs/dbraw/zinc/70/33/83/372703383.db2.gz PPAXAPDUUHKTAB-ZCFIWIBFSA-N 0 3 233.293 -0.131 20 0 BBADHN 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CCCN[C@H](C)C(=O)N(C)CC(=O)NCC ZINC000645613323 387906293 /nfs/dbraw/zinc/90/62/93/387906293.db2.gz LMYJANNKZGMXHO-SECBINFHSA-N 0 3 229.324 -0.031 20 0 BBADHN CCCN[C@@H](C)C(=O)N(C)CC(=O)NCC ZINC000645613325 387905531 /nfs/dbraw/zinc/90/55/31/387905531.db2.gz LMYJANNKZGMXHO-VIFPVBQESA-N 0 3 229.324 -0.031 20 0 BBADHN CCNC(=O)CN(C)C(=O)C(N)C(F)(F)F ZINC000645613574 387907829 /nfs/dbraw/zinc/90/78/29/387907829.db2.gz RQDBQDKKTOTVJU-LURJTMIESA-N 0 3 241.213 -0.530 20 0 BBADHN CCNC(=O)CN(C)C(=O)C(N)C(F)(F)F ZINC000645613575 387907525 /nfs/dbraw/zinc/90/75/25/387907525.db2.gz RQDBQDKKTOTVJU-ZCFIWIBFSA-N 0 3 241.213 -0.530 20 0 BBADHN CCNC(=O)CN(C)C(=O)[C@H]1NCC1(C)C ZINC000645614002 387908209 /nfs/dbraw/zinc/90/82/09/387908209.db2.gz ZSJWOHLMAOOUON-SECBINFHSA-N 0 3 227.308 -0.421 20 0 BBADHN CCNC(=O)CN(C)C(=O)[C@@H]1NCC1(C)C ZINC000645614003 387907400 /nfs/dbraw/zinc/90/74/00/387907400.db2.gz ZSJWOHLMAOOUON-VIFPVBQESA-N 0 3 227.308 -0.421 20 0 BBADHN CC1(C)CN[C@@H]1C(=O)NCCCS(C)(=O)=O ZINC000645631057 387912309 /nfs/dbraw/zinc/91/23/09/387912309.db2.gz WTLGEDXVSUUVES-MRVPVSSYSA-N 0 3 248.348 -0.465 20 0 BBADHN CC1(C)CN[C@H]1C(=O)NCCCS(C)(=O)=O ZINC000645631059 387912498 /nfs/dbraw/zinc/91/24/98/387912498.db2.gz WTLGEDXVSUUVES-QMMMGPOBSA-N 0 3 248.348 -0.465 20 0 BBADHN CC1(C)CN[C@@H]1C(=O)NCCn1cccn1 ZINC000645680317 387200908 /nfs/dbraw/zinc/20/09/08/387200908.db2.gz IINSQODXGFWIGB-SECBINFHSA-N 0 3 222.292 -0.003 20 0 BBADHN CC1(C)CN[C@H]1C(=O)NCCn1cccn1 ZINC000645680318 387199242 /nfs/dbraw/zinc/19/92/42/387199242.db2.gz IINSQODXGFWIGB-VIFPVBQESA-N 0 3 222.292 -0.003 20 0 BBADHN CN(C)C(=O)CCCNC(=O)[C@@H]1NCC1(C)C ZINC000645724999 387986589 /nfs/dbraw/zinc/98/65/89/387986589.db2.gz AEYXWOHQEIQCLN-JTQLQIEISA-N 0 3 241.335 -0.031 20 0 BBADHN CN(C)C(=O)CCCNC(=O)[C@H]1NCC1(C)C ZINC000645725004 387987309 /nfs/dbraw/zinc/98/73/09/387987309.db2.gz AEYXWOHQEIQCLN-SNVBAGLBSA-N 0 3 241.335 -0.031 20 0 BBADHN CC1(C)CN[C@H]1C(=O)NCCNc1cnccn1 ZINC000645735844 412330931 /nfs/dbraw/zinc/33/09/31/412330931.db2.gz WDGODEOBWDFLLA-JTQLQIEISA-N 0 3 249.318 0.003 20 0 BBADHN CC1(C)CN[C@@H]1C(=O)NCCNc1cnccn1 ZINC000645735850 412330899 /nfs/dbraw/zinc/33/08/99/412330899.db2.gz WDGODEOBWDFLLA-SNVBAGLBSA-N 0 3 249.318 0.003 20 0 BBADHN COCCOCCNC(=O)[C@H]1NCC1(C)C ZINC000645756260 387886290 /nfs/dbraw/zinc/88/62/90/387886290.db2.gz HABQLRKKNOVGHJ-SECBINFHSA-N 0 3 230.308 -0.236 20 0 BBADHN COCCOCCNC(=O)[C@@H]1NCC1(C)C ZINC000645756262 387886074 /nfs/dbraw/zinc/88/60/74/387886074.db2.gz HABQLRKKNOVGHJ-VIFPVBQESA-N 0 3 230.308 -0.236 20 0 BBADHN CCc1cc(NC(=O)CCOC2CNC2)n[nH]1 ZINC000645768587 411762167 /nfs/dbraw/zinc/76/21/67/411762167.db2.gz VCWDBJVVOIGKQB-UHFFFAOYSA-N 0 3 238.291 0.289 20 0 BBADHN CC[C@@H](N)C(=O)NCC(=O)NC1CCCC1 ZINC000645799216 387927713 /nfs/dbraw/zinc/92/77/13/387927713.db2.gz NEICBMKOIKUOLU-SECBINFHSA-N 0 3 227.308 -0.101 20 0 BBADHN CC[C@H](N)C(=O)NCC(=O)NC1CCCC1 ZINC000645799217 387929035 /nfs/dbraw/zinc/92/90/35/387929035.db2.gz NEICBMKOIKUOLU-VIFPVBQESA-N 0 3 227.308 -0.101 20 0 BBADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)N(C)C ZINC000645835094 387724627 /nfs/dbraw/zinc/72/46/27/387724627.db2.gz HMTMMTKGXKNJAY-SECBINFHSA-N 0 3 242.323 -0.280 20 0 BBADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)N(C)C ZINC000645835095 387725305 /nfs/dbraw/zinc/72/53/05/387725305.db2.gz HMTMMTKGXKNJAY-VIFPVBQESA-N 0 3 242.323 -0.280 20 0 BBADHN CN1CCC2(CC1)CN(S(C)(=O)=O)CCO2 ZINC000645855724 387873876 /nfs/dbraw/zinc/87/38/76/387873876.db2.gz PKXLGUUSZIECJS-UHFFFAOYSA-N 0 3 248.348 -0.257 20 0 BBADHN CN(CCN1CCOCC1)C(=O)C1(N)CCC1 ZINC000645887194 387986855 /nfs/dbraw/zinc/98/68/55/387986855.db2.gz YVHPEUQGPXEQTA-UHFFFAOYSA-N 0 3 241.335 -0.342 20 0 BBADHN CC[C@@H](N)C(=O)N[C@H]1CC(=O)N(C(C)C)C1 ZINC000645891528 388016712 /nfs/dbraw/zinc/01/67/12/388016712.db2.gz NZTOABOGDQOTIH-DTWKUNHWSA-N 0 3 227.308 -0.151 20 0 BBADHN CC[C@@H](N)C(=O)N[C@@H]1CC(=O)N(C(C)C)C1 ZINC000645891529 388016319 /nfs/dbraw/zinc/01/63/19/388016319.db2.gz NZTOABOGDQOTIH-RKDXNWHRSA-N 0 3 227.308 -0.151 20 0 BBADHN CNC(=O)CCN(C)C(=O)[C@H]1NCC1(C)C ZINC000645900060 388084978 /nfs/dbraw/zinc/08/49/78/388084978.db2.gz FQAIASIPEHYFST-SECBINFHSA-N 0 3 227.308 -0.421 20 0 BBADHN CNC(=O)CCN(C)C(=O)[C@@H]1NCC1(C)C ZINC000645900061 388084534 /nfs/dbraw/zinc/08/45/34/388084534.db2.gz FQAIASIPEHYFST-VIFPVBQESA-N 0 3 227.308 -0.421 20 0 BBADHN CC(C)NC(=O)NCCN(CCO)C[C@H](C)O ZINC000645918483 388257738 /nfs/dbraw/zinc/25/77/38/388257738.db2.gz VGUGFQGCNKLDIF-JTQLQIEISA-N 0 3 247.339 -0.631 20 0 BBADHN CC(C)NC(=O)NCCN(CCO)C[C@@H](C)O ZINC000645918484 388257657 /nfs/dbraw/zinc/25/76/57/388257657.db2.gz VGUGFQGCNKLDIF-SNVBAGLBSA-N 0 3 247.339 -0.631 20 0 BBADHN CC(C)NC(=O)NCCN1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000645921767 387751418 /nfs/dbraw/zinc/75/14/18/387751418.db2.gz QUBJICJVHFKSAO-URLYPYJESA-N 0 3 241.335 -0.136 20 0 BBADHN CC(C)[C@@H]1C(=O)NCCN1C(=O)CNC1CC1 ZINC000645922204 387781537 /nfs/dbraw/zinc/78/15/37/387781537.db2.gz JFENURPIUGMJCQ-LLVKDONJSA-N 0 3 239.319 -0.279 20 0 BBADHN CC(C)[C@H]1C(=O)NCCN1C(=O)CNC1CC1 ZINC000645922205 387782420 /nfs/dbraw/zinc/78/24/20/387782420.db2.gz JFENURPIUGMJCQ-NSHDSACASA-N 0 3 239.319 -0.279 20 0 BBADHN NCCOCC(=O)NC1=CC=NCC1=O ZINC000645952700 388267562 /nfs/dbraw/zinc/26/75/62/388267562.db2.gz FRBXWLQQSICGQK-UHFFFAOYSA-N 0 3 211.221 -0.877 20 0 BBADHN O=C(Nc1ccncc1O)[C@H]1CNCCO1 ZINC000645952756 388267571 /nfs/dbraw/zinc/26/75/71/388267571.db2.gz OWXRXOUBQIOCLK-SECBINFHSA-N 0 3 223.232 -0.864 20 0 BBADHN O=C(Nc1ccncc1O)[C@@H]1CNCCO1 ZINC000645952757 388267496 /nfs/dbraw/zinc/26/74/96/388267496.db2.gz OWXRXOUBQIOCLK-VIFPVBQESA-N 0 3 223.232 -0.864 20 0 BBADHN COC[C@H](N)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000645953087 388268698 /nfs/dbraw/zinc/26/86/98/388268698.db2.gz AHIXRSKKSGAGGL-MNOVXSKESA-N 0 3 241.335 -0.439 20 0 BBADHN COC[C@H](N)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000645953088 388268398 /nfs/dbraw/zinc/26/83/98/388268398.db2.gz AHIXRSKKSGAGGL-QWRGUYRKSA-N 0 3 241.335 -0.439 20 0 BBADHN CN1C[C@H](NC(=O)[C@@H]2NCC2(C)C)CC1=O ZINC000645954338 388269951 /nfs/dbraw/zinc/26/99/51/388269951.db2.gz ITJZIYZIDIMOST-APPZFPTMSA-N 0 3 225.292 -0.669 20 0 BBADHN CN1C[C@@H](NC(=O)[C@@H]2NCC2(C)C)CC1=O ZINC000645954339 388270216 /nfs/dbraw/zinc/27/02/16/388270216.db2.gz ITJZIYZIDIMOST-CBAPKCEASA-N 0 3 225.292 -0.669 20 0 BBADHN CN1C[C@@H](NC(=O)[C@H]2NCC2(C)C)CC1=O ZINC000645954340 388269955 /nfs/dbraw/zinc/26/99/55/388269955.db2.gz ITJZIYZIDIMOST-IONNQARKSA-N 0 3 225.292 -0.669 20 0 BBADHN CN1C[C@H](NC(=O)[C@H]2NCC2(C)C)CC1=O ZINC000645954341 388270507 /nfs/dbraw/zinc/27/05/07/388270507.db2.gz ITJZIYZIDIMOST-VXNVDRBHSA-N 0 3 225.292 -0.669 20 0 BBADHN CC(C)OC[C@H](O)CN1CC(C)(C(N)=O)C1 ZINC000645957120 411344442 /nfs/dbraw/zinc/34/44/42/411344442.db2.gz VQFDFKTXHCRSFR-SECBINFHSA-N 0 3 230.308 -0.421 20 0 BBADHN CC(C)OC[C@@H](O)CN1CC(C)(C(N)=O)C1 ZINC000645957121 411344073 /nfs/dbraw/zinc/34/40/73/411344073.db2.gz VQFDFKTXHCRSFR-VIFPVBQESA-N 0 3 230.308 -0.421 20 0 BBADHN Cn1ccc(CN2CC(C)(C(N)=O)C2)cc1=O ZINC000645957439 388274794 /nfs/dbraw/zinc/27/47/94/388274794.db2.gz ZPJXMRAFSWVOPW-UHFFFAOYSA-N 0 3 235.287 -0.308 20 0 BBADHN CCOCC[C@@H](O)CN1CC(C)(C(N)=O)C1 ZINC000645958808 388087869 /nfs/dbraw/zinc/08/78/69/388087869.db2.gz QYNSTBXZTZSKAU-SECBINFHSA-N 0 3 230.308 -0.419 20 0 BBADHN CCOCC[C@H](O)CN1CC(C)(C(N)=O)C1 ZINC000645958812 388087068 /nfs/dbraw/zinc/08/70/68/388087068.db2.gz QYNSTBXZTZSKAU-VIFPVBQESA-N 0 3 230.308 -0.419 20 0 BBADHN CN(C[C@H](O)CN1CC(C)(C(N)=O)C1)C1CC1 ZINC000645958885 388088414 /nfs/dbraw/zinc/08/84/14/388088414.db2.gz GVNQMXRZXUDZSW-JTQLQIEISA-N 0 3 241.335 -0.751 20 0 BBADHN CN(C[C@@H](O)CN1CC(C)(C(N)=O)C1)C1CC1 ZINC000645958886 388089279 /nfs/dbraw/zinc/08/92/79/388089279.db2.gz GVNQMXRZXUDZSW-SNVBAGLBSA-N 0 3 241.335 -0.751 20 0 BBADHN Cn1cncc1CCN1CC(C)(C(N)=O)C1 ZINC000645958948 388088229 /nfs/dbraw/zinc/08/82/29/388088229.db2.gz UEQOHTRTVHDNDU-UHFFFAOYSA-N 0 3 222.292 -0.230 20 0 BBADHN O=C(CNC1CC1)NCCOC[C@H]1CCOC1 ZINC000645960772 398014063 /nfs/dbraw/zinc/01/40/63/398014063.db2.gz NOFFTYFDFUFDQV-JTQLQIEISA-N 0 3 242.319 -0.092 20 0 BBADHN O=C(CNC1CC1)NCCOC[C@@H]1CCOC1 ZINC000645960773 398014206 /nfs/dbraw/zinc/01/42/06/398014206.db2.gz NOFFTYFDFUFDQV-SNVBAGLBSA-N 0 3 242.319 -0.092 20 0 BBADHN CC[C@@H](N)C(=O)NCCOC[C@@H]1CCOC1 ZINC000645960871 398014126 /nfs/dbraw/zinc/01/41/26/398014126.db2.gz SSHPSGZATKAJKB-NXEZZACHSA-N 0 3 230.308 -0.107 20 0 BBADHN CC[C@@H](N)C(=O)NCCOC[C@H]1CCOC1 ZINC000645960872 398013864 /nfs/dbraw/zinc/01/38/64/398013864.db2.gz SSHPSGZATKAJKB-VHSXEESVSA-N 0 3 230.308 -0.107 20 0 BBADHN CC(C)(N)C(=O)NCCOC[C@@H]1CCOC1 ZINC000645960964 388091308 /nfs/dbraw/zinc/09/13/08/388091308.db2.gz YRGRNWYBDIBSRO-SECBINFHSA-N 0 3 230.308 -0.107 20 0 BBADHN CC(C)(N)C(=O)NCCOC[C@H]1CCOC1 ZINC000645960965 388091732 /nfs/dbraw/zinc/09/17/32/388091732.db2.gz YRGRNWYBDIBSRO-VIFPVBQESA-N 0 3 230.308 -0.107 20 0 BBADHN CC[C@H](N)C(=O)NCCOC[C@H]1CCOC1 ZINC000645961145 388091478 /nfs/dbraw/zinc/09/14/78/388091478.db2.gz SSHPSGZATKAJKB-UWVGGRQHSA-N 0 3 230.308 -0.107 20 0 BBADHN CC[C@H](N)C(=O)NCCOC[C@@H]1CCOC1 ZINC000645961146 388091351 /nfs/dbraw/zinc/09/13/51/388091351.db2.gz SSHPSGZATKAJKB-ZJUUUORDSA-N 0 3 230.308 -0.107 20 0 BBADHN O[C@@H]1COC[C@H]1N1CC[C@@H]2OCC[C@@H]2C1 ZINC000645988949 388119237 /nfs/dbraw/zinc/11/92/37/388119237.db2.gz NCJRKJBLYZUTLI-DBIOUOCHSA-N 0 3 213.277 -0.143 20 0 BBADHN O[C@@H]1COC[C@@H]1N1CC[C@@H]2OCC[C@@H]2C1 ZINC000645988950 388119248 /nfs/dbraw/zinc/11/92/48/388119248.db2.gz NCJRKJBLYZUTLI-YTWAJWBKSA-N 0 3 213.277 -0.143 20 0 BBADHN Cc1nc(CNC(=O)[C@H]2NCC2(C)C)no1 ZINC000646005285 388123286 /nfs/dbraw/zinc/12/32/86/388123286.db2.gz MVAACMYGYCXBDQ-MRVPVSSYSA-N 0 3 224.264 -0.008 20 0 BBADHN Cc1nc(CNC(=O)[C@@H]2NCC2(C)C)no1 ZINC000646005286 388122725 /nfs/dbraw/zinc/12/27/25/388122725.db2.gz MVAACMYGYCXBDQ-QMMMGPOBSA-N 0 3 224.264 -0.008 20 0 BBADHN CO[C@@H]1COC[C@H]1NCCN1C(=O)CCC1=O ZINC000646042341 388130836 /nfs/dbraw/zinc/13/08/36/388130836.db2.gz HYLFLEBAXVKGMN-RKDXNWHRSA-N 0 3 242.275 -0.861 20 0 BBADHN CO[C@@H]1COC[C@H]1NCc1ccn(C)c(=O)c1 ZINC000646042575 388130648 /nfs/dbraw/zinc/13/06/48/388130648.db2.gz VPOPXUQCXAYQMB-GHMZBOCLSA-N 0 3 238.287 -0.111 20 0 BBADHN CO[C@@H]1COC[C@H]1NCCn1ccccc1=O ZINC000646042696 388130865 /nfs/dbraw/zinc/13/08/65/388130865.db2.gz VWTJCYUSSBIJJS-GHMZBOCLSA-N 0 3 238.287 -0.148 20 0 BBADHN CCN(C)C(=O)CCN[C@@H]1COC[C@H]1OC ZINC000646043115 388131068 /nfs/dbraw/zinc/13/10/68/388131068.db2.gz FWCALLWRZHBWSX-NXEZZACHSA-N 0 3 230.308 -0.142 20 0 BBADHN CCOCC[C@@H](O)CN[C@@H]1COC[C@H]1OC ZINC000646044452 388130847 /nfs/dbraw/zinc/13/08/47/388130847.db2.gz LITCMDFCOBGYQX-GMTAPVOTSA-N 0 3 233.308 -0.223 20 0 BBADHN CCOCC[C@H](O)CN[C@@H]1COC[C@H]1OC ZINC000646044453 388131176 /nfs/dbraw/zinc/13/11/76/388131176.db2.gz LITCMDFCOBGYQX-HBNTYKKESA-N 0 3 233.308 -0.223 20 0 BBADHN CO[C@@H]1COC[C@H]1NCCc1cncn1C ZINC000646044592 388130616 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C[C@@H](CC(=O)N1CCNC(C)(C)C1)NC(N)=O ZINC000654854860 411456223 /nfs/dbraw/zinc/45/62/23/411456223.db2.gz UIFLALLJTNWCQI-QMMMGPOBSA-N 0 3 242.323 -0.356 20 0 BBADHN C[C@@H]1CCN(CC(=O)N2C[C@H](O)C[C@@H]2CO)C1 ZINC000654973629 411469672 /nfs/dbraw/zinc/46/96/72/411469672.db2.gz VJROIAQMWKWGFR-GMTAPVOTSA-N 0 3 242.319 -0.718 20 0 BBADHN C[C@@H]1CCN(CC(=O)N2C[C@@H](O)C[C@@H]2CO)C1 ZINC000654973630 411469551 /nfs/dbraw/zinc/46/95/51/411469551.db2.gz VJROIAQMWKWGFR-MXWKQRLJSA-N 0 3 242.319 -0.718 20 0 BBADHN C[C@@H]1CCN(CC(=O)N2C[C@H](O)C[C@H]2CO)C1 ZINC000654973631 411469964 /nfs/dbraw/zinc/46/99/64/411469964.db2.gz VJROIAQMWKWGFR-OUAUKWLOSA-N 0 3 242.319 -0.718 20 0 BBADHN C[C@H]1CCN(CC(=O)N2C[C@H](O)C[C@H]2CO)C1 ZINC000655007085 411474378 /nfs/dbraw/zinc/47/43/78/411474378.db2.gz VJROIAQMWKWGFR-GARJFASQSA-N 0 3 242.319 -0.718 20 0 BBADHN C[C@@H]1CCN(CC(=O)N(C)CCC(N)=O)C1 ZINC000655077108 411490516 /nfs/dbraw/zinc/49/05/16/411490516.db2.gz OXSXTRSEMKCIQZ-SECBINFHSA-N 0 3 227.308 -0.338 20 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238.291 -0.535 20 0 BBADHN CC(C)[C@@H](O)C(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000655096061 411493925 /nfs/dbraw/zinc/49/39/25/411493925.db2.gz HDWQUCGHFYCYLC-LPEHRKFASA-N 0 3 230.308 -0.863 20 0 BBADHN CN(C)[C@H]1CN(C(=O)[C@@H]2CC23CC3)C[C@@H]1O ZINC000655096186 411494291 /nfs/dbraw/zinc/49/42/91/411494291.db2.gz IMBOKPIMQKGECI-GUBZILKMSA-N 0 3 224.304 -0.080 20 0 BBADHN CN(C)[C@H]1CN(C(=O)[C@H]2CC23CC3)C[C@@H]1O ZINC000655096187 411494414 /nfs/dbraw/zinc/49/44/14/411494414.db2.gz IMBOKPIMQKGECI-UTLUCORTSA-N 0 3 224.304 -0.080 20 0 BBADHN COC1(C(=O)N2C[C@H](O)[C@@H](N(C)C)C2)CC1 ZINC000655096225 411494162 /nfs/dbraw/zinc/49/41/62/411494162.db2.gz NCNNUWMEBUFFRO-IUCAKERBSA-N 0 3 228.292 -0.701 20 0 BBADHN C[C@@H](C(=O)NCCc1nnc[n-]1)[NH+](C)C ZINC000655116432 411498596 /nfs/dbraw/zinc/49/85/96/411498596.db2.gz IOMHIKSCJBYKKL-ZETCQYMHSA-N 0 3 211.269 -0.587 20 0 BBADHN C[C@@H](C(=O)NCCc1nnc[nH]1)N(C)C ZINC000655116432 411498595 /nfs/dbraw/zinc/49/85/95/411498595.db2.gz IOMHIKSCJBYKKL-ZETCQYMHSA-N 0 3 211.269 -0.587 20 0 BBADHN C[C@@H](C(=O)NCCc1nc[nH]n1)N(C)C ZINC000655116432 411498592 /nfs/dbraw/zinc/49/85/92/411498592.db2.gz IOMHIKSCJBYKKL-ZETCQYMHSA-N 0 3 211.269 -0.587 20 0 BBADHN CN1CCC[C@@H]1C(=O)NCCc1nnc[nH]1 ZINC000655116456 411498035 /nfs/dbraw/zinc/49/80/35/411498035.db2.gz RLIPKZPVWORFSS-MRVPVSSYSA-N 0 3 223.280 -0.442 20 0 BBADHN C[N@H+]1CCC[C@@H]1C(=O)NCCc1nnc[n-]1 ZINC000655116456 411498034 /nfs/dbraw/zinc/49/80/34/411498034.db2.gz RLIPKZPVWORFSS-MRVPVSSYSA-N 0 3 223.280 -0.442 20 0 BBADHN C[N@@H+]1CCC[C@@H]1C(=O)NCCc1nnc[n-]1 ZINC000655116456 411498032 /nfs/dbraw/zinc/49/80/32/411498032.db2.gz RLIPKZPVWORFSS-MRVPVSSYSA-N 0 3 223.280 -0.442 20 0 BBADHN CN1CCC[C@H]1C(=O)NCCc1nnc[nH]1 ZINC000655116457 411498289 /nfs/dbraw/zinc/49/82/89/411498289.db2.gz RLIPKZPVWORFSS-QMMMGPOBSA-N 0 3 223.280 -0.442 20 0 BBADHN C[N@H+]1CCC[C@H]1C(=O)NCCc1nnc[n-]1 ZINC000655116457 411498286 /nfs/dbraw/zinc/49/82/86/411498286.db2.gz RLIPKZPVWORFSS-QMMMGPOBSA-N 0 3 223.280 -0.442 20 0 BBADHN C[N@@H+]1CCC[C@H]1C(=O)NCCc1nnc[n-]1 ZINC000655116457 411498283 /nfs/dbraw/zinc/49/82/83/411498283.db2.gz RLIPKZPVWORFSS-QMMMGPOBSA-N 0 3 223.280 -0.442 20 0 BBADHN CN1CCC[C@@H](NC(=O)N[C@H]2C[C@@H](O)C2)C1 ZINC000655131657 411502190 /nfs/dbraw/zinc/50/21/90/411502190.db2.gz ISAPXUDMWQTZJV-BBBLOLIVSA-N 0 3 227.308 -0.097 20 0 BBADHN CN1CCC[C@H](NC(=O)N[C@H]2C[C@@H](O)C2)C1 ZINC000655131659 411501704 /nfs/dbraw/zinc/50/17/04/411501704.db2.gz ISAPXUDMWQTZJV-LPEHRKFASA-N 0 3 227.308 -0.097 20 0 BBADHN C[C@H](CC(=O)NC(C)(C)CN(C)C)NC(N)=O ZINC000655141410 411503494 /nfs/dbraw/zinc/50/34/94/411503494.db2.gz UVNQKRMPUFDMFY-MRVPVSSYSA-N 0 3 244.339 -0.110 20 0 BBADHN C[C@@H](CC(=O)NC(C)(C)CN(C)C)NC(N)=O ZINC000655141414 411503764 /nfs/dbraw/zinc/50/37/64/411503764.db2.gz UVNQKRMPUFDMFY-QMMMGPOBSA-N 0 3 244.339 -0.110 20 0 BBADHN C[C@H](CC(=O)NCC1(N(C)C)CC1)NC(N)=O ZINC000655150452 411505755 /nfs/dbraw/zinc/50/57/55/411505755.db2.gz QLCPPHICGCBBSW-MRVPVSSYSA-N 0 3 242.323 -0.356 20 0 BBADHN C[C@@H](CC(=O)NCC1(N(C)C)CC1)NC(N)=O ZINC000655150453 411505875 /nfs/dbraw/zinc/50/58/75/411505875.db2.gz QLCPPHICGCBBSW-QMMMGPOBSA-N 0 3 242.323 -0.356 20 0 BBADHN C[C@@H]1CCN(CC(=O)N[C@H]2C[C@@H](C(N)=O)C2)C1 ZINC000655163553 411508242 /nfs/dbraw/zinc/50/82/42/411508242.db2.gz WZFWOPNNTXSBRP-BBBLOLIVSA-N 0 3 239.319 -0.292 20 0 BBADHN C[C@H]1CCN(CC(=O)N[C@H]2C[C@@H](C(N)=O)C2)C1 ZINC000655163554 411508368 /nfs/dbraw/zinc/50/83/68/411508368.db2.gz WZFWOPNNTXSBRP-LPEHRKFASA-N 0 3 239.319 -0.292 20 0 BBADHN CO[C@@](C)(CO)CNC(=O)CN(C)C(C)C ZINC000655210329 409539293 /nfs/dbraw/zinc/53/92/93/409539293.db2.gz ONUJQRZWVAQVSW-LLVKDONJSA-N 0 3 232.324 -0.160 20 0 BBADHN CO[C@](C)(CO)CNC(=O)CN(C)C(C)C ZINC000655210330 409538727 /nfs/dbraw/zinc/53/87/27/409538727.db2.gz ONUJQRZWVAQVSW-NSHDSACASA-N 0 3 232.324 -0.160 20 0 BBADHN CCN(CC)CC(=O)NC[C@](C)(CO)OC ZINC000655210442 409542185 /nfs/dbraw/zinc/54/21/85/409542185.db2.gz PXFVGPKSOPPSFP-LLVKDONJSA-N 0 3 232.324 -0.158 20 0 BBADHN CCN(CC)CC(=O)NC[C@@](C)(CO)OC ZINC000655210444 409541448 /nfs/dbraw/zinc/54/14/48/409541448.db2.gz PXFVGPKSOPPSFP-NSHDSACASA-N 0 3 232.324 -0.158 20 0 BBADHN CO[C@@](C)(CO)CNC(=O)C1CCN(C)CC1 ZINC000655212141 409568501 /nfs/dbraw/zinc/56/85/01/409568501.db2.gz HMBVIBBXPZCCQG-GFCCVEGCSA-N 0 3 244.335 -0.158 20 0 BBADHN CO[C@](C)(CO)CNC(=O)C1CCN(C)CC1 ZINC000655212142 409570154 /nfs/dbraw/zinc/57/01/54/409570154.db2.gz HMBVIBBXPZCCQG-LBPRGKRZSA-N 0 3 244.335 -0.158 20 0 BBADHN CCCN(C)CC(=O)NC[C@](C)(CO)OC ZINC000655212226 409569018 /nfs/dbraw/zinc/56/90/18/409569018.db2.gz IGGLBMQVXCWEEL-LLVKDONJSA-N 0 3 232.324 -0.158 20 0 BBADHN CCCN(C)CC(=O)NC[C@@](C)(CO)OC ZINC000655212227 409568459 /nfs/dbraw/zinc/56/84/59/409568459.db2.gz IGGLBMQVXCWEEL-NSHDSACASA-N 0 3 232.324 -0.158 20 0 BBADHN CC[C@@H](C(=O)NC[C@](C)(CO)OC)N(C)C ZINC000655215742 409599782 /nfs/dbraw/zinc/59/97/82/409599782.db2.gz MOJDHOFOEPBLJR-GXSJLCMTSA-N 0 3 232.324 -0.160 20 0 BBADHN CC[C@H](C(=O)NC[C@@](C)(CO)OC)N(C)C ZINC000655215744 409601236 /nfs/dbraw/zinc/60/12/36/409601236.db2.gz MOJDHOFOEPBLJR-KOLCDFICSA-N 0 3 232.324 -0.160 20 0 BBADHN CC[C@H](C(=O)NC[C@](C)(CO)OC)N(C)C ZINC000655215746 409599580 /nfs/dbraw/zinc/59/95/80/409599580.db2.gz MOJDHOFOEPBLJR-MWLCHTKSSA-N 0 3 232.324 -0.160 20 0 BBADHN CC[C@@H](C(=O)NC[C@@](C)(CO)OC)N(C)C ZINC000655215748 409599528 /nfs/dbraw/zinc/59/95/28/409599528.db2.gz MOJDHOFOEPBLJR-ONGXEEELSA-N 0 3 232.324 -0.160 20 0 BBADHN CO[C@@](C)(CO)CNC(=O)Cc1nc[nH]c1C ZINC000655220416 409615220 /nfs/dbraw/zinc/61/52/20/409615220.db2.gz UZOAZNRHECYXAR-LLVKDONJSA-N 0 3 241.291 -0.226 20 0 BBADHN CO[C@](C)(CO)CNC(=O)Cc1nc[nH]c1C ZINC000655220417 409614967 /nfs/dbraw/zinc/61/49/67/409614967.db2.gz UZOAZNRHECYXAR-NSHDSACASA-N 0 3 241.291 -0.226 20 0 BBADHN C[NH+](C)[C@H]1C[C@@H](CNC(=O)c2cn[n-]n2)C1 ZINC000655246350 409710233 /nfs/dbraw/zinc/71/02/33/409710233.db2.gz JAZCVJOIIPRKDA-OCAPTIKFSA-N 0 3 223.280 -0.125 20 0 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-0.244 20 0 BBADHN CN(CC1CN(C)C1)c1cc(=O)n(C)cn1 ZINC000664331150 411923424 /nfs/dbraw/zinc/92/34/24/411923424.db2.gz UYFGDKMMLDMAQO-UHFFFAOYSA-N 0 3 222.292 -0.222 20 0 BBADHN CN(CC1CN(C)C1)c1nccn(C)c1=O ZINC000664332514 411924337 /nfs/dbraw/zinc/92/43/37/411924337.db2.gz WKRWISPYMWJPSL-UHFFFAOYSA-N 0 3 222.292 -0.222 20 0 BBADHN CNC(=O)C(=O)N[C@@H](C)CN1CCC(C)CC1 ZINC000664397858 411942708 /nfs/dbraw/zinc/94/27/08/411942708.db2.gz SAWJRSKJQOWHLK-JTQLQIEISA-N 0 3 241.335 -0.031 20 0 BBADHN CNC(=O)C(=O)N[C@H](C)CN1CCC(C)CC1 ZINC000664397859 411942550 /nfs/dbraw/zinc/94/25/50/411942550.db2.gz SAWJRSKJQOWHLK-SNVBAGLBSA-N 0 3 241.335 -0.031 20 0 BBADHN CCCN1CC[C@H](NC(=O)C(=O)NC2CC2)C1 ZINC000664424350 411951538 /nfs/dbraw/zinc/95/15/38/411951538.db2.gz AWVXOMMKADSTQA-JTQLQIEISA-N 0 3 239.319 -0.135 20 0 BBADHN CCCN1CC[C@@H](NC(=O)C(=O)NC2CC2)C1 ZINC000664424351 411951569 /nfs/dbraw/zinc/95/15/69/411951569.db2.gz AWVXOMMKADSTQA-SNVBAGLBSA-N 0 3 239.319 -0.135 20 0 BBADHN CCCN1CC[C@@H](NC(=O)C(=O)NC)C1 ZINC000664425911 411951019 /nfs/dbraw/zinc/95/10/19/411951019.db2.gz PHMIEAJVMKKEJQ-MRVPVSSYSA-N 0 3 213.281 -0.667 20 0 BBADHN CCCN1CC[C@H](NC(=O)C(=O)NC)C1 ZINC000664425912 411951791 /nfs/dbraw/zinc/95/17/91/411951791.db2.gz PHMIEAJVMKKEJQ-QMMMGPOBSA-N 0 3 213.281 -0.667 20 0 BBADHN CN(C)[C@H]1CN(C(=O)N[C@H]2CCOC2)C[C@@H]1O ZINC000664513442 411973350 /nfs/dbraw/zinc/97/33/50/411973350.db2.gz IZHNWBWXKIQDDY-GUBZILKMSA-N 0 3 243.307 -0.908 20 0 BBADHN CN(C)[C@H]1CN(C(=O)N[C@@H]2CCOC2)C[C@@H]1O ZINC000664513443 411974030 /nfs/dbraw/zinc/97/40/30/411974030.db2.gz IZHNWBWXKIQDDY-UTLUCORTSA-N 0 3 243.307 -0.908 20 0 BBADHN O=C(Cn1cccn1)N1CCOC2(CNC2)C1 ZINC000664723539 412014416 /nfs/dbraw/zinc/01/44/16/412014416.db2.gz AOLCBQRKWQKPIC-UHFFFAOYSA-N 0 3 236.275 -0.916 20 0 BBADHN O=C(Cc1ccncc1)N1CCOC2(CNC2)C1 ZINC000664725493 412014035 /nfs/dbraw/zinc/01/40/35/412014035.db2.gz BTNBICZHEDEAKX-UHFFFAOYSA-N 0 3 247.298 -0.175 20 0 BBADHN C[C@@H](C(=O)N1CCOC2(CNC2)C1)N(C)C ZINC000664727978 412014014 /nfs/dbraw/zinc/01/40/14/412014014.db2.gz VHGWZRMBVYAYLA-VIFPVBQESA-N 0 3 227.308 -0.863 20 0 BBADHN CN(C)CCOCCNC(=O)NC/C=C\CO ZINC000664731830 412016259 /nfs/dbraw/zinc/01/62/59/412016259.db2.gz LHYFTVHHHBBCRH-ARJAWSKDSA-N 0 3 245.323 -0.588 20 0 BBADHN CN(C)CCOCCNC(=O)NC/C=C/CO ZINC000664731831 412016588 /nfs/dbraw/zinc/01/65/88/412016588.db2.gz LHYFTVHHHBBCRH-ONEGZZNKSA-N 0 3 245.323 -0.588 20 0 BBADHN CN(C)CCOCCNC(=O)N[C@H]1C[C@H](O)C1 ZINC000664732026 412015546 /nfs/dbraw/zinc/01/55/46/412015546.db2.gz ODZGUFLOCGDNKW-MGCOHNPYSA-N 0 3 245.323 -0.613 20 0 BBADHN C[C@@H]1C[C@H]1NC(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000664854645 412032912 /nfs/dbraw/zinc/03/29/12/412032912.db2.gz VKMMKMMDPKMANV-IMSYWVGJSA-N 0 3 227.308 -0.289 20 0 BBADHN C[C@@H](CN(C)C)NC(=O)N[C@H]1C[C@H](O)C1 ZINC000664896822 412040542 /nfs/dbraw/zinc/04/05/42/412040542.db2.gz NTRUECPKZSDDTN-CIUDSAMLSA-N 0 3 215.297 -0.241 20 0 BBADHN C[C@@H](CN(C)C)NC(=O)NC/C=C/CO ZINC000664897678 412041232 /nfs/dbraw/zinc/04/12/32/412041232.db2.gz UEFROFDDOSFRSP-MOVJSRMASA-N 0 3 215.297 -0.216 20 0 BBADHN C[C@@H](CN(C)C)NC(=O)NC/C=C\CO ZINC000664897680 412041050 /nfs/dbraw/zinc/04/10/50/412041050.db2.gz UEFROFDDOSFRSP-WBSSQXGSSA-N 0 3 215.297 -0.216 20 0 BBADHN C[C@@H](CN(C)C)NC(=O)N[C@H]1CCNC1=O ZINC000664898213 412041610 /nfs/dbraw/zinc/04/16/10/412041610.db2.gz YVMLHENCDGWZJJ-YUMQZZPRSA-N 0 3 228.296 -0.876 20 0 BBADHN CC(C)CCN1C[C@H](O)C[C@H]1C(N)=O ZINC000665037879 412062968 /nfs/dbraw/zinc/06/29/68/412062968.db2.gz NWHQQKDXJJNIFD-BDAKNGLRSA-N 0 3 200.282 -0.047 20 0 BBADHN NC(=O)[C@@H]1C[C@@H](O)CN1CCN1CCCCC1 ZINC000665038648 412064732 /nfs/dbraw/zinc/06/47/32/412064732.db2.gz JZKZOENASVHDLY-MNOVXSKESA-N 0 3 241.335 -0.607 20 0 BBADHN CC[C@@H](C)CN1C[C@H](O)C[C@H]1C(N)=O ZINC000665038957 412064292 /nfs/dbraw/zinc/06/42/92/412064292.db2.gz KZPMJIUWPPPQBD-HLTSFMKQSA-N 0 3 200.282 -0.047 20 0 BBADHN CC[C@H](C)CN1C[C@H](O)C[C@H]1C(N)=O ZINC000665038960 412064748 /nfs/dbraw/zinc/06/47/48/412064748.db2.gz KZPMJIUWPPPQBD-YIZRAAEISA-N 0 3 200.282 -0.047 20 0 BBADHN C[C@@H](CNC(=O)NC/C=C/CO)N(C)C ZINC000665044231 412066672 /nfs/dbraw/zinc/06/66/72/412066672.db2.gz RYDNXPBCMAFXTI-MOVJSRMASA-N 0 3 215.297 -0.216 20 0 BBADHN C[C@@H](CNC(=O)NC/C=C\CO)N(C)C ZINC000665044232 412067238 /nfs/dbraw/zinc/06/72/38/412067238.db2.gz RYDNXPBCMAFXTI-WBSSQXGSSA-N 0 3 215.297 -0.216 20 0 BBADHN C[C@@H](CNC(=O)N[C@H]1C[C@H](O)C1)N(C)C ZINC000665044771 412065962 /nfs/dbraw/zinc/06/59/62/412065962.db2.gz XFAZPVIXMOFAOY-CIUDSAMLSA-N 0 3 215.297 -0.241 20 0 BBADHN COC1(CCN2C[C@H](O)C[C@H]2C(N)=O)CCC1 ZINC000665045623 412066133 /nfs/dbraw/zinc/06/61/33/412066133.db2.gz BTHMPMWFCXHEAX-ZJUUUORDSA-N 0 3 242.319 -0.134 20 0 BBADHN COCC1(CN2C[C@H](O)C[C@H]2C(N)=O)CCC1 ZINC000665046105 412066980 /nfs/dbraw/zinc/06/69/80/412066980.db2.gz HGFYIQLKHBMJOD-ZJUUUORDSA-N 0 3 242.319 -0.276 20 0 BBADHN COC(C)(C)CCN1C[C@H](O)C[C@H]1C(N)=O ZINC000665048022 412067804 /nfs/dbraw/zinc/06/78/04/412067804.db2.gz QGGTZZZODJKZJL-BDAKNGLRSA-N 0 3 230.308 -0.278 20 0 BBADHN CC(C)(C)[C@H](O)CN1C[C@H](O)C[C@H]1C(N)=O ZINC000665048165 412068614 /nfs/dbraw/zinc/06/86/14/412068614.db2.gz WSNIUJBJSYHOHE-HRDYMLBCSA-N 0 3 230.308 -0.686 20 0 BBADHN CC(C)(C)[C@@H](O)CN1C[C@H](O)C[C@H]1C(N)=O ZINC000665048168 412069169 /nfs/dbraw/zinc/06/91/69/412069169.db2.gz WSNIUJBJSYHOHE-VGMNWLOBSA-N 0 3 230.308 -0.686 20 0 BBADHN CCOC1CC(CN2C[C@H](O)C[C@H]2C(N)=O)C1 ZINC000665048284 412068639 /nfs/dbraw/zinc/06/86/39/412068639.db2.gz XMUOYIOVTJOBKU-DJRKXVOMSA-N 0 3 242.319 -0.278 20 0 BBADHN C[C@@H]1C[C@H](CN2C[C@H](O)C[C@H]2C(N)=O)CCO1 ZINC000665048829 412069009 /nfs/dbraw/zinc/06/90/09/412069009.db2.gz XMHSPYCLKOVWFG-DBIOUOCHSA-N 0 3 242.319 -0.278 20 0 BBADHN C[C@H]1C[C@@H](CN2C[C@H](O)C[C@H]2C(N)=O)CCO1 ZINC000665048830 412068345 /nfs/dbraw/zinc/06/83/45/412068345.db2.gz XMHSPYCLKOVWFG-MMWGEVLESA-N 0 3 242.319 -0.278 20 0 BBADHN C[C@@H]1C[C@@H](CN2C[C@H](O)C[C@H]2C(N)=O)CCO1 ZINC000665048831 412068940 /nfs/dbraw/zinc/06/89/40/412068940.db2.gz XMHSPYCLKOVWFG-YTWAJWBKSA-N 0 3 242.319 -0.278 20 0 BBADHN C[C@H]1C[C@H](CN2C[C@H](O)C[C@H]2C(N)=O)CCO1 ZINC000665048832 412068468 /nfs/dbraw/zinc/06/84/68/412068468.db2.gz XMHSPYCLKOVWFG-ZDCRXTMVSA-N 0 3 242.319 -0.278 20 0 BBADHN NC(=O)[C@@H]1C[C@@H](O)CN1C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000665049449 412067815 /nfs/dbraw/zinc/06/78/15/412067815.db2.gz UQYUJJOPWSUITE-QGKZMRNZSA-N 0 3 224.304 -0.047 20 0 BBADHN NC(=O)[C@@H]1C[C@@H](O)CN1CC1CC=CC1 ZINC000665049687 412068737 /nfs/dbraw/zinc/06/87/37/412068737.db2.gz VSWDXFWTGFKFMZ-ZJUUUORDSA-N 0 3 210.277 -0.127 20 0 BBADHN CN(C(=O)[C@H]1CC(=O)N1)C1CCN(C)CC1 ZINC000665074056 412082186 /nfs/dbraw/zinc/08/21/86/412082186.db2.gz ILXVACVXSYPFLG-SECBINFHSA-N 0 3 225.292 -0.573 20 0 BBADHN CN(C(=O)[C@@H]1CC(=O)N1)C1CCN(C)CC1 ZINC000665074057 412082259 /nfs/dbraw/zinc/08/22/59/412082259.db2.gz 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NC(=O)N[C@H]1CCN([C@@H]2CCCOC2)C1 ZINC000677821030 488137885 /nfs/dbraw/zinc/13/78/85/488137885.db2.gz FHPGUONCXIPXHN-DTWKUNHWSA-N 0 3 213.281 -0.092 20 0 BBADHN NC(=O)N[C@H]1CCN([C@H]2CCCOC2)C1 ZINC000677821031 488136800 /nfs/dbraw/zinc/13/68/00/488136800.db2.gz FHPGUONCXIPXHN-IUCAKERBSA-N 0 3 213.281 -0.092 20 0 BBADHN NC(=O)N[C@@H]1CCN([C@@H]2CCCOC2)C1 ZINC000677821032 488136823 /nfs/dbraw/zinc/13/68/23/488136823.db2.gz FHPGUONCXIPXHN-RKDXNWHRSA-N 0 3 213.281 -0.092 20 0 BBADHN CCN(CC(=O)N(C)C)CC1(O)CCOCC1 ZINC000677885083 488147497 /nfs/dbraw/zinc/14/74/97/488147497.db2.gz XKGAKLSBRQIRBF-UHFFFAOYSA-N 0 3 244.335 -0.062 20 0 BBADHN O=C(CO)N1CCN(c2ccncc2)CC1 ZINC000677948096 488163250 /nfs/dbraw/zinc/16/32/50/488163250.db2.gz INZGMNOLBJQOGX-UHFFFAOYSA-N 0 3 221.260 -0.278 20 0 BBADHN C[C@@H](O)C(=O)Nc1cnn(CCN(C)C)c1 ZINC000677948935 488163634 /nfs/dbraw/zinc/16/36/34/488163634.db2.gz KETVZRNMLUKRGZ-MRVPVSSYSA-N 0 3 226.280 -0.236 20 0 BBADHN C[C@H](O)C(=O)Nc1cnn(CCN(C)C)c1 ZINC000677948936 488163573 /nfs/dbraw/zinc/16/35/73/488163573.db2.gz KETVZRNMLUKRGZ-QMMMGPOBSA-N 0 3 226.280 -0.236 20 0 BBADHN CN(C)CCn1cc(NC(=O)CO)cn1 ZINC000677949630 488163763 /nfs/dbraw/zinc/16/37/63/488163763.db2.gz XAUXVWXUPPNHEY-UHFFFAOYSA-N 0 3 212.253 -0.625 20 0 BBADHN C[C@@H](O)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000677951152 488164569 /nfs/dbraw/zinc/16/45/69/488164569.db2.gz SCDWNKGQYBCGDI-PSASIEDQSA-N 0 3 212.293 -0.032 20 0 BBADHN C[C@@H](O)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000677951154 488164462 /nfs/dbraw/zinc/16/44/62/488164462.db2.gz SCDWNKGQYBCGDI-SCZZXKLOSA-N 0 3 212.293 -0.032 20 0 BBADHN C[C@H](O)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000677951156 488164398 /nfs/dbraw/zinc/16/43/98/488164398.db2.gz SCDWNKGQYBCGDI-WCBMZHEXSA-N 0 3 212.293 -0.032 20 0 BBADHN C[C@H](O)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000677951157 488162785 /nfs/dbraw/zinc/16/27/85/488162785.db2.gz SCDWNKGQYBCGDI-WPRPVWTQSA-N 0 3 212.293 -0.032 20 0 BBADHN O[C@@H]1C[C@H](O)CN(CCn2ccnc2)C1 ZINC000677984044 488168903 /nfs/dbraw/zinc/16/89/03/488168903.db2.gz JHPALZRNFVBSSU-AOOOYVTPSA-N 0 3 211.265 -0.689 20 0 BBADHN Cc1nccn1CCN1C[C@H](O)C[C@H](O)C1 ZINC000677984853 488168785 /nfs/dbraw/zinc/16/87/85/488168785.db2.gz RYQYBXGYXYBGBV-PHIMTYICSA-N 0 3 225.292 -0.381 20 0 BBADHN CCCn1cc(C(=O)NCCN(C)C)nn1 ZINC000677997670 488169197 /nfs/dbraw/zinc/16/91/97/488169197.db2.gz RXWZJMWUHQYYEB-UHFFFAOYSA-N 0 3 225.296 -0.021 20 0 BBADHN CNC(=O)[C@@H]1CCCN1C[C@@H](C)CO ZINC000678043513 487636373 /nfs/dbraw/zinc/63/63/73/487636373.db2.gz ARRFYRGYQFHKOW-BDAKNGLRSA-N 0 3 200.282 -0.175 20 0 BBADHN CNC(=O)[C@H]1CCCN1C[C@H](C)CO ZINC000678043522 487636542 /nfs/dbraw/zinc/63/65/42/487636542.db2.gz ARRFYRGYQFHKOW-DTWKUNHWSA-N 0 3 200.282 -0.175 20 0 BBADHN CNC(=O)[C@@H]1CCCN1C[C@H](C)CO ZINC000678043525 487636359 /nfs/dbraw/zinc/63/63/59/487636359.db2.gz ARRFYRGYQFHKOW-IUCAKERBSA-N 0 3 200.282 -0.175 20 0 BBADHN CNC(=O)[C@H]1CCCN1C[C@@H](C)CO ZINC000678043527 487636463 /nfs/dbraw/zinc/63/64/63/487636463.db2.gz ARRFYRGYQFHKOW-RKDXNWHRSA-N 0 3 200.282 -0.175 20 0 BBADHN C[C@@H](CO)CN1CCCC[C@H]1C(N)=O ZINC000678044530 488180040 /nfs/dbraw/zinc/18/00/40/488180040.db2.gz UYOWVRUJRRKWFU-BDAKNGLRSA-N 0 3 200.282 -0.045 20 0 BBADHN C[C@H](CO)CN1CCCC[C@H]1C(N)=O ZINC000678044531 488179990 /nfs/dbraw/zinc/17/99/90/488179990.db2.gz UYOWVRUJRRKWFU-IUCAKERBSA-N 0 3 200.282 -0.045 20 0 BBADHN C[C@H](CO)CN1CC[C@@H](NS(C)(=O)=O)C1 ZINC000678045010 487648203 /nfs/dbraw/zinc/64/82/03/487648203.db2.gz JQBLYFYKNOTMCL-DTWKUNHWSA-N 0 3 236.337 -0.762 20 0 BBADHN C[C@@H](CO)CN1CC[C@@H](NS(C)(=O)=O)C1 ZINC000678045011 487648586 /nfs/dbraw/zinc/64/85/86/487648586.db2.gz JQBLYFYKNOTMCL-RKDXNWHRSA-N 0 3 236.337 -0.762 20 0 BBADHN C[C@@H](CO)CN1CC[C@@H](NC(N)=O)C1 ZINC000678045308 488181286 /nfs/dbraw/zinc/18/12/86/488181286.db2.gz FILLBOHPTLQQCX-HTQZYQBOSA-N 0 3 201.270 -0.643 20 0 BBADHN C[C@H](CO)CN1CC[C@@H](NC(N)=O)C1 ZINC000678045309 488181459 /nfs/dbraw/zinc/18/14/59/488181459.db2.gz FILLBOHPTLQQCX-JGVFFNPUSA-N 0 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C[C@@H](CO)CN1CCC[C@H]1CS(N)(=O)=O ZINC000678045854 488182558 /nfs/dbraw/zinc/18/25/58/488182558.db2.gz HHYVYZPOOOVLSE-BDAKNGLRSA-N 0 3 236.337 -0.632 20 0 BBADHN C[C@H](CO)CN1CCC[C@@H]1CS(N)(=O)=O ZINC000678045857 488182348 /nfs/dbraw/zinc/18/23/48/488182348.db2.gz HHYVYZPOOOVLSE-DTWKUNHWSA-N 0 3 236.337 -0.632 20 0 BBADHN C[C@H](CO)CN1CCC[C@H]1CS(N)(=O)=O ZINC000678045859 488182588 /nfs/dbraw/zinc/18/25/88/488182588.db2.gz HHYVYZPOOOVLSE-IUCAKERBSA-N 0 3 236.337 -0.632 20 0 BBADHN C[C@@H](CO)CN1CCC[C@@H]1CS(N)(=O)=O ZINC000678045860 488182693 /nfs/dbraw/zinc/18/26/93/488182693.db2.gz HHYVYZPOOOVLSE-RKDXNWHRSA-N 0 3 236.337 -0.632 20 0 BBADHN CNS(=O)(=O)[C@@H]1CCN(C[C@H](C)CO)C1 ZINC000678046559 488183180 /nfs/dbraw/zinc/18/31/80/488183180.db2.gz PTQUQUDNIFWTMZ-DTWKUNHWSA-N 0 3 236.337 -0.762 20 0 BBADHN CNS(=O)(=O)[C@@H]1CCN(C[C@@H](C)CO)C1 ZINC000678046560 488184022 /nfs/dbraw/zinc/18/40/22/488184022.db2.gz PTQUQUDNIFWTMZ-RKDXNWHRSA-N 0 3 236.337 -0.762 20 0 BBADHN C[C@@H](CO)CN1CCNC(=O)C[C@@H]1C ZINC000678046927 488183567 /nfs/dbraw/zinc/18/35/67/488183567.db2.gz ZQFLOKIDZANTRZ-BDAKNGLRSA-N 0 3 200.282 -0.175 20 0 BBADHN C[C@H](CO)CN1CCNC(=O)C[C@H]1C ZINC000678046928 488183338 /nfs/dbraw/zinc/18/33/38/488183338.db2.gz ZQFLOKIDZANTRZ-DTWKUNHWSA-N 0 3 200.282 -0.175 20 0 BBADHN C[C@H](CO)CN1CCNC(=O)C[C@@H]1C ZINC000678046929 488183172 /nfs/dbraw/zinc/18/31/72/488183172.db2.gz ZQFLOKIDZANTRZ-IUCAKERBSA-N 0 3 200.282 -0.175 20 0 BBADHN C[C@@H](CO)CN1CCNC(=O)C[C@H]1C ZINC000678046930 488183931 /nfs/dbraw/zinc/18/39/31/488183931.db2.gz ZQFLOKIDZANTRZ-RKDXNWHRSA-N 0 3 200.282 -0.175 20 0 BBADHN CN(CCNC(=O)C1(NC(N)=O)CC1)C1CC1 ZINC000678072070 488190674 /nfs/dbraw/zinc/19/06/74/488190674.db2.gz YDTLILJQOVIIAD-UHFFFAOYSA-N 0 3 240.307 -0.602 20 0 BBADHN O[C@@H]1C[C@H](O)CN(CC2=CCCOC2)C1 ZINC000678297045 488237913 /nfs/dbraw/zinc/23/79/13/488237913.db2.gz FDGUNJKBNSYZNI-PHIMTYICSA-N 0 3 213.277 -0.239 20 0 BBADHN Cn1ccc(CN2C[C@H](O)C[C@H](O)C2)c1 ZINC000678298543 488238736 /nfs/dbraw/zinc/23/87/36/488238736.db2.gz VMYVFFHKJVPPJX-PHIMTYICSA-N 0 3 210.277 -0.047 20 0 BBADHN CC[C@@H](C(=O)NC(CO)CO)N(CC)CC ZINC000678346156 488244058 /nfs/dbraw/zinc/24/40/58/488244058.db2.gz QNYMXLYFQMIVBZ-JTQLQIEISA-N 0 3 232.324 -0.424 20 0 BBADHN CC[C@H](C(=O)NC(CO)CO)N(CC)CC ZINC000678346157 488243998 /nfs/dbraw/zinc/24/39/98/488243998.db2.gz QNYMXLYFQMIVBZ-SNVBAGLBSA-N 0 3 232.324 -0.424 20 0 BBADHN CC(C(=O)N[C@H](CO)CC1CC1)S(C)(=O)=O ZINC000678388469 488250227 /nfs/dbraw/zinc/25/02/27/488250227.db2.gz ODYVIXSVJULDQH-APPZFPTMSA-N 0 3 249.332 -0.303 20 0 BBADHN CC(C(=O)N[C@H](CO)CC1CC1)S(C)(=O)=O ZINC000678388473 488249975 /nfs/dbraw/zinc/24/99/75/488249975.db2.gz ODYVIXSVJULDQH-CBAPKCEASA-N 0 3 249.332 -0.303 20 0 BBADHN CC(C(=O)N[C@@H](CO)CC1CC1)S(C)(=O)=O ZINC000678388474 488250168 /nfs/dbraw/zinc/25/01/68/488250168.db2.gz ODYVIXSVJULDQH-IONNQARKSA-N 0 3 249.332 -0.303 20 0 BBADHN CC(C(=O)N[C@@H](CO)CC1CC1)S(C)(=O)=O ZINC000678388475 488249967 /nfs/dbraw/zinc/24/99/67/488249967.db2.gz ODYVIXSVJULDQH-VXNVDRBHSA-N 0 3 249.332 -0.303 20 0 BBADHN Cc1nn(C)c(C)c1CNCCc1nnnn1C ZINC000678498705 488262749 /nfs/dbraw/zinc/26/27/49/488262749.db2.gz MBFUUYFMLHXHFZ-UHFFFAOYSA-N 0 3 249.322 -0.107 20 0 BBADHN CCn1cc(CNCCc2nnnn2C)cn1 ZINC000678498722 488262716 /nfs/dbraw/zinc/26/27/16/488262716.db2.gz AKEFPUDVVCSNPC-UHFFFAOYSA-N 0 3 235.295 -0.241 20 0 BBADHN Cc1n[nH]c(C)c1CNCCc1nnnn1C ZINC000678498910 488263263 /nfs/dbraw/zinc/26/32/63/488263263.db2.gz OCVDQPQXEDDXLR-UHFFFAOYSA-N 0 3 235.295 -0.118 20 0 BBADHN Cc1nn(C)cc1CNCCc1nnnn1C ZINC000678499033 488263297 /nfs/dbraw/zinc/26/32/97/488263297.db2.gz HBNRTOUKSHUGNQ-UHFFFAOYSA-N 0 3 235.295 -0.416 20 0 BBADHN CCc1nn(C)cc1CNCCc1nnnn1C ZINC000678499410 488263177 /nfs/dbraw/zinc/26/31/77/488263177.db2.gz KMNMTRZTRZAKAS-UHFFFAOYSA-N 0 3 249.322 -0.162 20 0 BBADHN CCn1nccc1CNCCc1nnnn1C ZINC000678499621 488263276 /nfs/dbraw/zinc/26/32/76/488263276.db2.gz SELOPVDWNNQUQA-UHFFFAOYSA-N 0 3 235.295 -0.241 20 0 BBADHN Cc1ccc([O-])c(C[NH2+]CCc2nnnn2C)n1 ZINC000678499640 487514670 /nfs/dbraw/zinc/51/46/70/487514670.db2.gz UEIKAMWGQSRYHI-UHFFFAOYSA-N 0 3 248.290 -0.049 20 0 BBADHN C[C@@H](NCCc1nnnn1C)c1cnn(C)c1 ZINC000678546974 488266022 /nfs/dbraw/zinc/26/60/22/488266022.db2.gz NRKYMCUNRFCJSG-MRVPVSSYSA-N 0 3 235.295 -0.163 20 0 BBADHN C[C@H](NCCc1nnnn1C)c1cnn(C)c1 ZINC000678546976 488265985 /nfs/dbraw/zinc/26/59/85/488265985.db2.gz NRKYMCUNRFCJSG-QMMMGPOBSA-N 0 3 235.295 -0.163 20 0 BBADHN CC(C)N(C)CC(=O)NCCc1nnnn1C ZINC000678573898 488267536 /nfs/dbraw/zinc/26/75/36/488267536.db2.gz CEPPXOPTGJCJFD-UHFFFAOYSA-N 0 3 240.311 -0.791 20 0 BBADHN CC[C@H](C(=O)NCCc1nnnn1C)N(C)C ZINC000678574055 488267631 /nfs/dbraw/zinc/26/76/31/488267631.db2.gz FNXVYZAONIUDGI-MRVPVSSYSA-N 0 3 240.311 -0.791 20 0 BBADHN CC[C@@H](C(=O)NCCc1nnnn1C)N(C)C ZINC000678574056 488267505 /nfs/dbraw/zinc/26/75/05/488267505.db2.gz FNXVYZAONIUDGI-QMMMGPOBSA-N 0 3 240.311 -0.791 20 0 BBADHN 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/nfs/dbraw/zinc/57/25/91/712572591.db2.gz NVGYQWHPJPWEBQ-SSDOTTSWSA-N 0 3 214.244 -0.050 20 0 BBADHN CN(C)C[C@@H](CO)Nc1cc(F)ncn1 ZINC000716755565 712572522 /nfs/dbraw/zinc/57/25/22/712572522.db2.gz NVGYQWHPJPWEBQ-ZETCQYMHSA-N 0 3 214.244 -0.050 20 0 BBADHN CN(CCCF)C(=O)C(=O)N1CCCNCC1 ZINC000716767031 711581436 /nfs/dbraw/zinc/58/14/36/711581436.db2.gz TYUJJQMDKGUTNR-UHFFFAOYSA-N 0 3 245.298 -0.374 20 0 BBADHN CN(C)C[C@H](CO)Nc1nccnc1F ZINC000716768654 712572819 /nfs/dbraw/zinc/57/28/19/712572819.db2.gz CDTYQTIMOVDIQD-SSDOTTSWSA-N 0 3 214.244 -0.050 20 0 BBADHN CN(C)C[C@@H](CO)Nc1nccnc1F ZINC000716768655 712572918 /nfs/dbraw/zinc/57/29/18/712572918.db2.gz CDTYQTIMOVDIQD-ZETCQYMHSA-N 0 3 214.244 -0.050 20 0 BBADHN Cc1cc(CNS(=O)(=O)C2CNC2)[nH]n1 ZINC000716772178 712572776 /nfs/dbraw/zinc/57/27/76/712572776.db2.gz LKSQNAJKRBBMCX-UHFFFAOYSA-N 0 3 230.293 -0.891 20 0 BBADHN CC(C)=CC(=O)N[C@@H](CO)CN(C)C ZINC000716782145 712573209 /nfs/dbraw/zinc/57/32/09/712573209.db2.gz JSUUEEQCQSUOHL-SECBINFHSA-N 0 3 200.282 -0.009 20 0 BBADHN CC(C)=CC(=O)N[C@H](CO)CN(C)C ZINC000716782146 712573377 /nfs/dbraw/zinc/57/33/77/712573377.db2.gz JSUUEEQCQSUOHL-VIFPVBQESA-N 0 3 200.282 -0.009 20 0 BBADHN CN(C)C[C@@H](CO)NC(=O)C(C)(F)F ZINC000716784591 712573481 /nfs/dbraw/zinc/57/34/81/712573481.db2.gz FXNGACMBFJDWLV-LURJTMIESA-N 0 3 210.224 -0.320 20 0 BBADHN CN(C)C[C@H](CO)NC(=O)C(C)(F)F ZINC000716784592 712573677 /nfs/dbraw/zinc/57/36/77/712573677.db2.gz FXNGACMBFJDWLV-ZCFIWIBFSA-N 0 3 210.224 -0.320 20 0 BBADHN CN(C)C[C@H](CO)NC(=O)C(C)(C)F ZINC000716787346 712573581 /nfs/dbraw/zinc/57/35/81/712573581.db2.gz UGTZATFBDZBZGG-SSDOTTSWSA-N 0 3 206.261 -0.227 20 0 BBADHN CN(C)C[C@@H](CO)NC(=O)C(C)(C)F ZINC000716787349 712385129 /nfs/dbraw/zinc/38/51/29/712385129.db2.gz UGTZATFBDZBZGG-ZETCQYMHSA-N 0 3 206.261 -0.227 20 0 BBADHN CN(CCCF)S(=O)(=O)N1CCNCC1 ZINC000716798720 712574797 /nfs/dbraw/zinc/57/47/97/712574797.db2.gz ILKJTTNPEZXAGX-UHFFFAOYSA-N 0 3 239.316 -0.572 20 0 BBADHN CN(CCCF)S(=O)(=O)C1CNC1 ZINC000716809353 712575854 /nfs/dbraw/zinc/57/58/54/712575854.db2.gz PKFJJDCXKLDABQ-UHFFFAOYSA-N 0 3 210.274 -0.421 20 0 BBADHN COC[C@@](C)(CO)NCC(OC)OC ZINC000716918817 712582319 /nfs/dbraw/zinc/58/23/19/712582319.db2.gz QQKHJAQREHBPTQ-SECBINFHSA-N 0 3 207.270 -0.408 20 0 BBADHN COC[C@](C)(CO)NCC(OC)OC ZINC000716918819 712582307 /nfs/dbraw/zinc/58/23/07/712582307.db2.gz QQKHJAQREHBPTQ-VIFPVBQESA-N 0 3 207.270 -0.408 20 0 BBADHN O=C(N[C@@H]1COCCC1=O)C12CCN(CC1)C2 ZINC000717161884 712638507 /nfs/dbraw/zinc/63/85/07/712638507.db2.gz IWZHISVRIVDVTN-SECBINFHSA-N 0 3 238.287 -0.444 20 0 BBADHN O=C(N[C@H]1COCCC1=O)C12CCN(CC1)C2 ZINC000717161885 712638398 /nfs/dbraw/zinc/63/83/98/712638398.db2.gz IWZHISVRIVDVTN-VIFPVBQESA-N 0 3 238.287 -0.444 20 0 BBADHN O=S(=O)(NCC1CC=CC1)N1CCNCC1 ZINC000717275176 712642327 /nfs/dbraw/zinc/64/23/27/712642327.db2.gz AQIBFRCOLOSVHD-UHFFFAOYSA-N 0 3 245.348 -0.308 20 0 BBADHN CCn1cncc1CNC[C@@H](O)[C@@H](C)O ZINC000717275763 711594749 /nfs/dbraw/zinc/59/47/49/711594749.db2.gz CQIJDZKZEKKPPP-PSASIEDQSA-N 0 3 213.281 -0.266 20 0 BBADHN CCn1cncc1CNC[C@H](O)[C@@H](C)O ZINC000717275765 711594609 /nfs/dbraw/zinc/59/46/09/711594609.db2.gz CQIJDZKZEKKPPP-SCZZXKLOSA-N 0 3 213.281 -0.266 20 0 BBADHN CCn1cncc1CNC[C@@H](O)[C@H](C)O ZINC000717275766 711594535 /nfs/dbraw/zinc/59/45/35/711594535.db2.gz CQIJDZKZEKKPPP-WCBMZHEXSA-N 0 3 213.281 -0.266 20 0 BBADHN CCn1cncc1CNC[C@H](O)[C@H](C)O ZINC000717275770 711594585 /nfs/dbraw/zinc/59/45/85/711594585.db2.gz CQIJDZKZEKKPPP-WPRPVWTQSA-N 0 3 213.281 -0.266 20 0 BBADHN C[C@H](O)[C@@H](O)CN[C@@H](C)c1ccnn1C ZINC000717281761 712644662 /nfs/dbraw/zinc/64/46/62/712644662.db2.gz UHVSUXROKAACGV-NRPADANISA-N 0 3 213.281 -0.188 20 0 BBADHN C[C@H](O)[C@H](O)CN[C@@H](C)c1ccnn1C ZINC000717281765 712644671 /nfs/dbraw/zinc/64/46/71/712644671.db2.gz UHVSUXROKAACGV-OYNCUSHFSA-N 0 3 213.281 -0.188 20 0 BBADHN C[C@@H](O)[C@H](O)CN[C@@H](C)c1ccnn1C ZINC000717281767 712644697 /nfs/dbraw/zinc/64/46/97/712644697.db2.gz UHVSUXROKAACGV-QXFUBDJGSA-N 0 3 213.281 -0.188 20 0 BBADHN C[C@@H](O)[C@@H](O)CN[C@@H](C)c1ccnn1C ZINC000717281769 712644493 /nfs/dbraw/zinc/64/44/93/712644493.db2.gz UHVSUXROKAACGV-XKSSXDPKSA-N 0 3 213.281 -0.188 20 0 BBADHN Cc1nn(C)cc1CNC[C@@H](O)[C@@H](C)O ZINC000717282543 712644614 /nfs/dbraw/zinc/64/46/14/712644614.db2.gz XEBFSFOQMYGYKR-PSASIEDQSA-N 0 3 213.281 -0.440 20 0 BBADHN Cc1nn(C)cc1CNC[C@H](O)[C@@H](C)O ZINC000717282545 711594897 /nfs/dbraw/zinc/59/48/97/711594897.db2.gz XEBFSFOQMYGYKR-SCZZXKLOSA-N 0 3 213.281 -0.440 20 0 BBADHN Cc1nn(C)cc1CNC[C@@H](O)[C@H](C)O ZINC000717282547 711594557 /nfs/dbraw/zinc/59/45/57/711594557.db2.gz XEBFSFOQMYGYKR-WCBMZHEXSA-N 0 3 213.281 -0.440 20 0 BBADHN Cc1nn(C)cc1CNC[C@H](O)[C@H](C)O ZINC000717282549 712644699 /nfs/dbraw/zinc/64/46/99/712644699.db2.gz XEBFSFOQMYGYKR-WPRPVWTQSA-N 0 3 213.281 -0.440 20 0 BBADHN O=S(=O)(NCC1CC=CC1)C1CNC1 ZINC000717301980 712645695 /nfs/dbraw/zinc/64/56/95/712645695.db2.gz AAQJZUZBJVFAFS-UHFFFAOYSA-N 0 3 216.306 -0.156 20 0 BBADHN COc1ccc(CNC[C@@H](O)[C@@H](C)O)cn1 ZINC000717309944 712646416 /nfs/dbraw/zinc/64/64/16/712646416.db2.gz VWBRJAOLDXBNDU-PSASIEDQSA-N 0 3 226.276 -0.079 20 0 BBADHN COc1ccc(CNC[C@H](O)[C@@H](C)O)cn1 ZINC000717309946 712646236 /nfs/dbraw/zinc/64/62/36/712646236.db2.gz VWBRJAOLDXBNDU-SCZZXKLOSA-N 0 3 226.276 -0.079 20 0 BBADHN COc1ccc(CNC[C@@H](O)[C@H](C)O)cn1 ZINC000717309948 712646358 /nfs/dbraw/zinc/64/63/58/712646358.db2.gz VWBRJAOLDXBNDU-WCBMZHEXSA-N 0 3 226.276 -0.079 20 0 BBADHN COc1ccc(CNC[C@H](O)[C@H](C)O)cn1 ZINC000717309950 712646210 /nfs/dbraw/zinc/64/62/10/712646210.db2.gz VWBRJAOLDXBNDU-WPRPVWTQSA-N 0 3 226.276 -0.079 20 0 BBADHN CCc1nn(C)cc1CNC[C@@H](O)[C@H](C)O ZINC000717320004 712646643 /nfs/dbraw/zinc/64/66/43/712646643.db2.gz FREYPSKYCVMGLG-GZMMTYOYSA-N 0 3 227.308 -0.186 20 0 BBADHN CCc1nn(C)cc1CNC[C@H](O)[C@@H](C)O ZINC000717320008 712646720 /nfs/dbraw/zinc/64/67/20/712646720.db2.gz FREYPSKYCVMGLG-KCJUWKMLSA-N 0 3 227.308 -0.186 20 0 BBADHN CCc1nn(C)cc1CNC[C@H](O)[C@H](C)O ZINC000717320010 712646770 /nfs/dbraw/zinc/64/67/70/712646770.db2.gz FREYPSKYCVMGLG-KWQFWETISA-N 0 3 227.308 -0.186 20 0 BBADHN CCc1nn(C)cc1CNC[C@@H](O)[C@@H](C)O ZINC000717320012 712646704 /nfs/dbraw/zinc/64/67/04/712646704.db2.gz FREYPSKYCVMGLG-LDYMZIIASA-N 0 3 227.308 -0.186 20 0 BBADHN Cc1nn(C)c(C)c1CNC[C@@H](O)[C@H](C)O ZINC000717322712 712648983 /nfs/dbraw/zinc/64/89/83/712648983.db2.gz PTXULVPRVHXGOY-GXSJLCMTSA-N 0 3 227.308 -0.132 20 0 BBADHN Cc1nn(C)c(C)c1CNC[C@H](O)[C@@H](C)O ZINC000717322761 712648869 /nfs/dbraw/zinc/64/88/69/712648869.db2.gz PTXULVPRVHXGOY-KOLCDFICSA-N 0 3 227.308 -0.132 20 0 BBADHN Cc1nn(C)c(C)c1CNC[C@@H](O)[C@@H](C)O ZINC000717322763 712648917 /nfs/dbraw/zinc/64/89/17/712648917.db2.gz PTXULVPRVHXGOY-MWLCHTKSSA-N 0 3 227.308 -0.132 20 0 BBADHN Cc1nn(C)c(C)c1CNC[C@H](O)[C@H](C)O ZINC000717322764 712648936 /nfs/dbraw/zinc/64/89/36/712648936.db2.gz PTXULVPRVHXGOY-ONGXEEELSA-N 0 3 227.308 -0.132 20 0 BBADHN Cc1cnn(C)c1CNC[C@@H](O)[C@@H](C)O ZINC000717342016 711595948 /nfs/dbraw/zinc/59/59/48/711595948.db2.gz PFJGPRBHCUOCGB-PSASIEDQSA-N 0 3 213.281 -0.440 20 0 BBADHN Cc1cnn(C)c1CNC[C@H](O)[C@@H](C)O ZINC000717342017 712649655 /nfs/dbraw/zinc/64/96/55/712649655.db2.gz PFJGPRBHCUOCGB-SCZZXKLOSA-N 0 3 213.281 -0.440 20 0 BBADHN Cc1cnn(C)c1CNC[C@@H](O)[C@H](C)O ZINC000717342018 712649767 /nfs/dbraw/zinc/64/97/67/712649767.db2.gz PFJGPRBHCUOCGB-WCBMZHEXSA-N 0 3 213.281 -0.440 20 0 BBADHN Cc1cnn(C)c1CNC[C@H](O)[C@H](C)O ZINC000717342019 711595819 /nfs/dbraw/zinc/59/58/19/711595819.db2.gz PFJGPRBHCUOCGB-WPRPVWTQSA-N 0 3 213.281 -0.440 20 0 BBADHN C[C@H](O)[C@@H](O)CNC[C@@H](O)C(F)(F)F ZINC000717359661 712650814 /nfs/dbraw/zinc/65/08/14/712650814.db2.gz MBBDWTNUDAASHV-HCWXCVPCSA-N 0 3 217.187 -0.759 20 0 BBADHN C[C@H](O)[C@H](O)CNC[C@H](O)C(F)(F)F ZINC000717359662 712650759 /nfs/dbraw/zinc/65/07/59/712650759.db2.gz MBBDWTNUDAASHV-JKUQZMGJSA-N 0 3 217.187 -0.759 20 0 BBADHN C[C@H](O)[C@H](O)CNC[C@@H](O)C(F)(F)F ZINC000717359663 712650811 /nfs/dbraw/zinc/65/08/11/712650811.db2.gz MBBDWTNUDAASHV-KVQBGUIXSA-N 0 3 217.187 -0.759 20 0 BBADHN C[C@H](O)[C@@H](O)CNC[C@H](O)C(F)(F)F ZINC000717359664 712650696 /nfs/dbraw/zinc/65/06/96/712650696.db2.gz MBBDWTNUDAASHV-ZLUOBGJFSA-N 0 3 217.187 -0.759 20 0 BBADHN C[C@H](O)[C@@H](O)CNC[C@](C)(O)C(F)(F)F ZINC000717370338 712652658 /nfs/dbraw/zinc/65/26/58/712652658.db2.gz NRKQAKIGWVYVAT-ACZMJKKPSA-N 0 3 231.214 -0.369 20 0 BBADHN C[C@H](O)[C@@H](O)CNC[C@@](C)(O)C(F)(F)F ZINC000717370346 712652540 /nfs/dbraw/zinc/65/25/40/712652540.db2.gz NRKQAKIGWVYVAT-LYFYHCNISA-N 0 3 231.214 -0.369 20 0 BBADHN C[C@H](O)[C@H](O)CNC[C@@](C)(O)C(F)(F)F ZINC000717370348 712652669 /nfs/dbraw/zinc/65/26/69/712652669.db2.gz NRKQAKIGWVYVAT-RRKCRQDMSA-N 0 3 231.214 -0.369 20 0 BBADHN C[C@H](O)[C@H](O)CNC[C@](C)(O)C(F)(F)F ZINC000717370356 712652509 /nfs/dbraw/zinc/65/25/09/712652509.db2.gz NRKQAKIGWVYVAT-XVMARJQXSA-N 0 3 231.214 -0.369 20 0 BBADHN COc1cncc(CNC[C@@H](O)[C@H](C)O)c1 ZINC000717373436 712652392 /nfs/dbraw/zinc/65/23/92/712652392.db2.gz FSPYKYZYRXYPDM-GZMMTYOYSA-N 0 3 226.276 -0.079 20 0 BBADHN COc1cncc(CNC[C@H](O)[C@@H](C)O)c1 ZINC000717373441 712652672 /nfs/dbraw/zinc/65/26/72/712652672.db2.gz FSPYKYZYRXYPDM-KCJUWKMLSA-N 0 3 226.276 -0.079 20 0 BBADHN COc1cncc(CNC[C@H](O)[C@H](C)O)c1 ZINC000717373444 712652404 /nfs/dbraw/zinc/65/24/04/712652404.db2.gz FSPYKYZYRXYPDM-KWQFWETISA-N 0 3 226.276 -0.079 20 0 BBADHN COc1cncc(CNC[C@@H](O)[C@@H](C)O)c1 ZINC000717373446 712652440 /nfs/dbraw/zinc/65/24/40/712652440.db2.gz FSPYKYZYRXYPDM-LDYMZIIASA-N 0 3 226.276 -0.079 20 0 BBADHN Cc1ncc(CNC[C@@H](O)[C@@H](C)O)n1C ZINC000717383714 712652958 /nfs/dbraw/zinc/65/29/58/712652958.db2.gz CACDFOXOAFHCPU-GMSGAONNSA-N 0 3 213.281 -0.440 20 0 BBADHN Cc1ncc(CNC[C@@H](O)[C@H](C)O)n1C ZINC000717383715 712652954 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/nfs/dbraw/zinc/66/00/26/588660026.db2.gz KSJSQGDKOWRJJT-MYJAWHEDSA-N 0 3 236.275 -0.302 20 0 BBADHN COC[C@H](CN1C[C@H]2[C@H](C(=O)OC)[C@H]2C1)OC ZINC000852077218 588660436 /nfs/dbraw/zinc/66/04/36/588660436.db2.gz PTOCNRLAYIHEDK-UKKRHICBSA-N 0 3 243.303 -0.001 20 0 BBADHN COC[C@@H](CN1C[C@H]2[C@H](C(=O)OC)[C@H]2C1)OC ZINC000852077219 588660381 /nfs/dbraw/zinc/66/03/81/588660381.db2.gz PTOCNRLAYIHEDK-ZNSHCXBVSA-N 0 3 243.303 -0.001 20 0 BBADHN COCC1(NCC(=O)N(C)OC)CCOCC1 ZINC000852089203 588661105 /nfs/dbraw/zinc/66/11/05/588661105.db2.gz DEWDAHVZIYEIBG-UHFFFAOYSA-N 0 3 246.307 -0.209 20 0 BBADHN OCCOCCN1CC[C@](O)(C(F)F)C1 ZINC000852121444 588665139 /nfs/dbraw/zinc/66/51/39/588665139.db2.gz REHTXRRUNVEADK-SECBINFHSA-N 0 3 225.235 -0.303 20 0 BBADHN OCCOCCN1CC[C@@](O)(C(F)F)C1 ZINC000852121445 588665252 /nfs/dbraw/zinc/66/52/52/588665252.db2.gz REHTXRRUNVEADK-VIFPVBQESA-N 0 3 225.235 -0.303 20 0 BBADHN CC1(C)OC[C@@H](CNC(CO)CO)O1 ZINC000852123759 588665558 /nfs/dbraw/zinc/66/55/58/588665558.db2.gz JHYORWJROGNYAU-MRVPVSSYSA-N 0 3 205.254 -0.919 20 0 BBADHN CN1CC[C@@H]2CN(Cc3cnn(C)n3)C[C@@H]21 ZINC000852136971 588665913 /nfs/dbraw/zinc/66/59/13/588665913.db2.gz QYGBMILXMCPEKV-KOLCDFICSA-N 0 3 221.308 -0.049 20 0 BBADHN O=C1NC(=O)[C@@H]2CN(CCOC(F)F)C[C@H]12 ZINC000852137308 588666496 /nfs/dbraw/zinc/66/64/96/588666496.db2.gz NBKXWFUJWHKUDM-OLQVQODUSA-N 0 3 234.202 -0.570 20 0 BBADHN CO[C@@H]1CN(C[C@@H]2CCC(=O)O2)C[C@H]1O ZINC000852140931 588666837 /nfs/dbraw/zinc/66/68/37/588666837.db2.gz PXTMJZTVJQAQRV-DJLDLDEBSA-N 0 3 215.249 -0.617 20 0 BBADHN CO[C@@H]1CN(C[C@H]2CCC(=O)O2)C[C@H]1O ZINC000852140934 588666751 /nfs/dbraw/zinc/66/67/51/588666751.db2.gz PXTMJZTVJQAQRV-IWSPIJDZSA-N 0 3 215.249 -0.617 20 0 BBADHN CO[C@@H]1CN(C[C@H]2COC(C)(C)O2)C[C@H]1O ZINC000852140991 588666642 /nfs/dbraw/zinc/66/66/42/588666642.db2.gz QLGCPTOPRSUVSY-IVZWLZJFSA-N 0 3 231.292 -0.171 20 0 BBADHN CO[C@@H]1CN(C[C@@H]2COC(C)(C)O2)C[C@H]1O ZINC000852140992 588666893 /nfs/dbraw/zinc/66/68/93/588666893.db2.gz QLGCPTOPRSUVSY-OPRDCNLKSA-N 0 3 231.292 -0.171 20 0 BBADHN CC1(C)OC[C@H](CN2C[C@H](O)[C@H](CO)C2)O1 ZINC000852160305 588668169 /nfs/dbraw/zinc/66/81/69/588668169.db2.gz DUQZJUMOTFBAHP-GUBZILKMSA-N 0 3 231.292 -0.577 20 0 BBADHN CC1(C)OC[C@H](CN2C[C@H](CO)[C@H](O)C2)O1 ZINC000852160306 588668272 /nfs/dbraw/zinc/66/82/72/588668272.db2.gz DUQZJUMOTFBAHP-KXUCPTDWSA-N 0 3 231.292 -0.577 20 0 BBADHN CC1(C)OC[C@H](CN2C[C@@H](O)[C@H](CO)C2)O1 ZINC000852160307 588668073 /nfs/dbraw/zinc/66/80/73/588668073.db2.gz DUQZJUMOTFBAHP-LPEHRKFASA-N 0 3 231.292 -0.577 20 0 BBADHN CC1(C)OC[C@H](CN2C[C@H](O)[C@@H](CO)C2)O1 ZINC000852160308 588668022 /nfs/dbraw/zinc/66/80/22/588668022.db2.gz DUQZJUMOTFBAHP-UTLUCORTSA-N 0 3 231.292 -0.577 20 0 BBADHN CC1(C)OC[C@H](CN2CCC[C@](O)(CO)C2)O1 ZINC000852161944 588668642 /nfs/dbraw/zinc/66/86/42/588668642.db2.gz VWCBUQHFTIYPHH-CMPLNLGQSA-N 0 3 245.319 -0.043 20 0 BBADHN CC1(C)OC[C@H](CN2CCC[C@@](O)(CO)C2)O1 ZINC000852161945 588668504 /nfs/dbraw/zinc/66/85/04/588668504.db2.gz VWCBUQHFTIYPHH-JQWIXIFHSA-N 0 3 245.319 -0.043 20 0 BBADHN CC1(C)OC[C@@H](CN2CCC[C@@](O)(CO)C2)O1 ZINC000852161946 588668542 /nfs/dbraw/zinc/66/85/42/588668542.db2.gz VWCBUQHFTIYPHH-PWSUYJOCSA-N 0 3 245.319 -0.043 20 0 BBADHN CC1(C)OC[C@@H](CN2CCC[C@](O)(CO)C2)O1 ZINC000852161947 588668371 /nfs/dbraw/zinc/66/83/71/588668371.db2.gz VWCBUQHFTIYPHH-ZYHUDNBSSA-N 0 3 245.319 -0.043 20 0 BBADHN COC(CCN[C@@H]1COC[C@@H]1OC)OC ZINC000852163614 588669017 /nfs/dbraw/zinc/66/90/17/588669017.db2.gz IHFRZDGYIISYFD-BDAKNGLRSA-N 0 3 219.281 -0.001 20 0 BBADHN CC1(C)OC[C@H](CN2CC[C@H](O)[C@H](CO)C2)O1 ZINC000852177582 588669660 /nfs/dbraw/zinc/66/96/60/588669660.db2.gz NFXRVMGTSFUEQW-DCAQKATOSA-N 0 3 245.319 -0.187 20 0 BBADHN CC1(C)OC[C@H](CN2CC[C@@H](O)[C@H](CO)C2)O1 ZINC000852177583 588669772 /nfs/dbraw/zinc/66/97/72/588669772.db2.gz NFXRVMGTSFUEQW-GARJFASQSA-N 0 3 245.319 -0.187 20 0 BBADHN CC1(C)OC[C@H](CN2CC[C@@H](O)[C@@H](CO)C2)O1 ZINC000852177584 588669493 /nfs/dbraw/zinc/66/94/93/588669493.db2.gz NFXRVMGTSFUEQW-OUAUKWLOSA-N 0 3 245.319 -0.187 20 0 BBADHN CC1(C)OC[C@H](CN2CC[C@H](O)[C@@H](CO)C2)O1 ZINC000852177585 588669651 /nfs/dbraw/zinc/66/96/51/588669651.db2.gz NFXRVMGTSFUEQW-VWYCJHECSA-N 0 3 245.319 -0.187 20 0 BBADHN CC1(C(N)=O)CN(CCc2c[nH]nn2)C1 ZINC000852204043 645472550 /nfs/dbraw/zinc/47/25/50/645472550.db2.gz JVWLOZHZVLDSGO-UHFFFAOYSA-N 0 3 209.253 -0.846 20 0 BBADHN COC(CCN[C@@H]1COC[C@H]1OC)OC ZINC000852205084 588671272 /nfs/dbraw/zinc/67/12/72/588671272.db2.gz IHFRZDGYIISYFD-RKDXNWHRSA-N 0 3 219.281 -0.001 20 0 BBADHN O[C@@H]1C[C@H]2CN(Cc3cnon3)CCN2C1 ZINC000852215051 588673495 /nfs/dbraw/zinc/67/34/95/588673495.db2.gz CJEMPQGRPOAQAA-VHSXEESVSA-N 0 3 224.264 -0.680 20 0 BBADHN O[C@@H]1C[C@H]2CN(CCOC(F)F)CCN2C1 ZINC000852215137 588673401 /nfs/dbraw/zinc/67/34/01/588673401.db2.gz DKJZYJWOWCPUGK-DTWKUNHWSA-N 0 3 236.262 -0.024 20 0 BBADHN O=C1CCC2=C(CCN(CCOCCO)C2)N1 ZINC000852295301 588676746 /nfs/dbraw/zinc/67/67/46/588676746.db2.gz WPOUKMKBPXVZDF-UHFFFAOYSA-N 0 3 240.303 -0.135 20 0 BBADHN C[S@](=O)CCN1CC[C@@H](Cn2ccnn2)C1 ZINC000852312044 588677809 /nfs/dbraw/zinc/67/78/09/588677809.db2.gz SVAQJWYVPUKMSI-HWPZZCPQSA-N 0 3 242.348 -0.022 20 0 BBADHN C[S@@](=O)CCN1CC[C@H](Cn2ccnn2)C1 ZINC000852312045 588677884 /nfs/dbraw/zinc/67/78/84/588677884.db2.gz SVAQJWYVPUKMSI-MGPLVRAMSA-N 0 3 242.348 -0.022 20 0 BBADHN C[S@](=O)CCN1CC[C@H](Cn2ccnn2)C1 ZINC000852312046 588677951 /nfs/dbraw/zinc/67/79/51/588677951.db2.gz SVAQJWYVPUKMSI-QFYYESIMSA-N 0 3 242.348 -0.022 20 0 BBADHN C[S@@](=O)CCN1CC[C@@H](Cn2ccnn2)C1 ZINC000852312047 588677799 /nfs/dbraw/zinc/67/77/99/588677799.db2.gz SVAQJWYVPUKMSI-QLJPJBMISA-N 0 3 242.348 -0.022 20 0 BBADHN c1cn(C[C@H]2CCN(CC3OCCO3)C2)nn1 ZINC000852313220 588677737 /nfs/dbraw/zinc/67/77/37/588677737.db2.gz FCOBSHLUGYZEDG-JTQLQIEISA-N 0 3 238.291 -0.027 20 0 BBADHN c1cn(C[C@@H]2CCN(CC3OCCO3)C2)nn1 ZINC000852313221 588678133 /nfs/dbraw/zinc/67/81/33/588678133.db2.gz FCOBSHLUGYZEDG-SNVBAGLBSA-N 0 3 238.291 -0.027 20 0 BBADHN COC(=O)[C@@H]1OCC[C@@H]1NC[C@@H](O)C1CC1 ZINC000852413886 588681681 /nfs/dbraw/zinc/68/16/81/588681681.db2.gz DIKLJQCYYRMGRL-IVZWLZJFSA-N 0 3 229.276 -0.323 20 0 BBADHN COC(=O)[C@@H]1OCC[C@@H]1NC[C@H](O)C1CC1 ZINC000852413888 588681608 /nfs/dbraw/zinc/68/16/08/588681608.db2.gz DIKLJQCYYRMGRL-LPEHRKFASA-N 0 3 229.276 -0.323 20 0 BBADHN CC[C@H](O)CN[C@@H]1CCO[C@@H]1C(=O)OC ZINC000852414010 588681868 /nfs/dbraw/zinc/68/18/68/588681868.db2.gz GVJZDNAPVHOAOB-YIZRAAEISA-N 0 3 217.265 -0.323 20 0 BBADHN COC(=O)[C@@H]1OCC[C@@H]1NCCCNC(C)=O ZINC000852414198 588681704 /nfs/dbraw/zinc/68/17/04/588681704.db2.gz KADZSVQWMWRHMN-VHSXEESVSA-N 0 3 244.291 -0.567 20 0 BBADHN COC(=O)[C@@H]1OCC[C@@H]1NCCC1OCCO1 ZINC000852414434 588681787 /nfs/dbraw/zinc/68/17/87/588681787.db2.gz NZUDMKYTUUGLBT-WCBMZHEXSA-N 0 3 245.275 -0.331 20 0 BBADHN O=C1OCCN1[C@@H]1CCN(CCCO)C1 ZINC000852432024 645477857 /nfs/dbraw/zinc/47/78/57/645477857.db2.gz LHMRQMPFSQDVCV-SECBINFHSA-N 0 3 214.265 -0.105 20 0 BBADHN O=C1OCCN1[C@H]1CCN(CCCO)C1 ZINC000852432026 645480675 /nfs/dbraw/zinc/48/06/75/645480675.db2.gz LHMRQMPFSQDVCV-VIFPVBQESA-N 0 3 214.265 -0.105 20 0 BBADHN O=C1OCCN1[C@@H]1CCN(CCO)C1 ZINC000852432241 645480382 /nfs/dbraw/zinc/48/03/82/645480382.db2.gz JOKGQTZYMDOARP-MRVPVSSYSA-N 0 3 200.238 -0.495 20 0 BBADHN O=C1OCCN1[C@H]1CCN(CCO)C1 ZINC000852432242 645479666 /nfs/dbraw/zinc/47/96/66/645479666.db2.gz JOKGQTZYMDOARP-QMMMGPOBSA-N 0 3 200.238 -0.495 20 0 BBADHN O=C1OCCN1[C@H]1CCN(CCOCCO)C1 ZINC000852433506 588681881 /nfs/dbraw/zinc/68/18/81/588681881.db2.gz RYJLGKGWSWWUOC-JTQLQIEISA-N 0 3 244.291 -0.478 20 0 BBADHN O=C1OCCN1[C@@H]1CCN(CCOCCO)C1 ZINC000852433507 588681629 /nfs/dbraw/zinc/68/16/29/588681629.db2.gz RYJLGKGWSWWUOC-SNVBAGLBSA-N 0 3 244.291 -0.478 20 0 BBADHN CNC(=O)CCN1CC[C@@H](N2CCOC2=O)C1 ZINC000852433980 588682043 /nfs/dbraw/zinc/68/20/43/588682043.db2.gz ZBVKPWIKRSMMSI-SECBINFHSA-N 0 3 241.291 -0.351 20 0 BBADHN CNC(=O)CCN1CC[C@H](N2CCOC2=O)C1 ZINC000852433981 588681984 /nfs/dbraw/zinc/68/19/84/588681984.db2.gz ZBVKPWIKRSMMSI-VIFPVBQESA-N 0 3 241.291 -0.351 20 0 BBADHN COC[C@H](O)CN1CC[C@@H](N2CCOC2=O)C1 ZINC000852434356 588681992 /nfs/dbraw/zinc/68/19/92/588681992.db2.gz YJBXPWGNFZZBID-NXEZZACHSA-N 0 3 244.291 -0.480 20 0 BBADHN COC[C@@H](O)CN1CC[C@H](N2CCOC2=O)C1 ZINC000852434357 588682356 /nfs/dbraw/zinc/68/23/56/588682356.db2.gz YJBXPWGNFZZBID-UWVGGRQHSA-N 0 3 244.291 -0.480 20 0 BBADHN COC[C@H](O)CN1CC[C@H](N2CCOC2=O)C1 ZINC000852434358 588682185 /nfs/dbraw/zinc/68/21/85/588682185.db2.gz YJBXPWGNFZZBID-VHSXEESVSA-N 0 3 244.291 -0.480 20 0 BBADHN COC[C@@H](O)CN1CC[C@@H](N2CCOC2=O)C1 ZINC000852434359 588681949 /nfs/dbraw/zinc/68/19/49/588681949.db2.gz YJBXPWGNFZZBID-ZJUUUORDSA-N 0 3 244.291 -0.480 20 0 BBADHN C[C@@H](O)CN1CC[C@H](N2CCOC2=O)C1 ZINC000852437395 588682232 /nfs/dbraw/zinc/68/22/32/588682232.db2.gz BGAGWBVULIZZDV-BDAKNGLRSA-N 0 3 214.265 -0.106 20 0 BBADHN C[C@H](O)CN1CC[C@@H](N2CCOC2=O)C1 ZINC000852437396 588682387 /nfs/dbraw/zinc/68/23/87/588682387.db2.gz BGAGWBVULIZZDV-DTWKUNHWSA-N 0 3 214.265 -0.106 20 0 BBADHN C[C@H](O)CN1CC[C@H](N2CCOC2=O)C1 ZINC000852437397 588681943 /nfs/dbraw/zinc/68/19/43/588681943.db2.gz BGAGWBVULIZZDV-IUCAKERBSA-N 0 3 214.265 -0.106 20 0 BBADHN C[C@@H](O)CN1CC[C@@H](N2CCOC2=O)C1 ZINC000852437398 588682220 /nfs/dbraw/zinc/68/22/20/588682220.db2.gz BGAGWBVULIZZDV-RKDXNWHRSA-N 0 3 214.265 -0.106 20 0 BBADHN NC(=O)C1(NCCN2CCCC2)CCOCC1 ZINC000852493013 588685601 /nfs/dbraw/zinc/68/56/01/588685601.db2.gz CKLOLLBBKIGLTD-UHFFFAOYSA-N 0 3 241.335 -0.294 20 0 BBADHN O=C1CC[C@@H]2CN(CC3OCCO3)CC[C@H]2N1 ZINC000852494764 588685431 /nfs/dbraw/zinc/68/54/31/588685431.db2.gz IBBXSXILWDDNBM-NXEZZACHSA-N 0 3 240.303 -0.040 20 0 BBADHN O=C1CC[C@H]2CN(CC3OCCO3)CC[C@@H]2N1 ZINC000852494766 588685568 /nfs/dbraw/zinc/68/55/68/588685568.db2.gz IBBXSXILWDDNBM-UWVGGRQHSA-N 0 3 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LIPAUICUEXVJOI-VIFPVBQESA-N 0 3 225.292 -0.490 20 0 BBADHN C[C@H](NN1CCNC[C@H]1C)c1ncnn1C ZINC000852794599 588703276 /nfs/dbraw/zinc/70/32/76/588703276.db2.gz RICQLBUDCHXPKO-BDAKNGLRSA-N 0 3 224.312 -0.326 20 0 BBADHN C[C@@H](NN1CCNC[C@@H]1C)c1ncnn1C ZINC000852794601 588703235 /nfs/dbraw/zinc/70/32/35/588703235.db2.gz RICQLBUDCHXPKO-DTWKUNHWSA-N 0 3 224.312 -0.326 20 0 BBADHN C[C@H](NN1CCNC[C@@H]1C)c1ncnn1C ZINC000852794605 588703291 /nfs/dbraw/zinc/70/32/91/588703291.db2.gz RICQLBUDCHXPKO-IUCAKERBSA-N 0 3 224.312 -0.326 20 0 BBADHN C[C@@H](NN1CCNC[C@H]1C)c1ncnn1C ZINC000852794606 588703230 /nfs/dbraw/zinc/70/32/30/588703230.db2.gz RICQLBUDCHXPKO-RKDXNWHRSA-N 0 3 224.312 -0.326 20 0 BBADHN NC[C@H]1CC(C(=O)Nc2ccc(N)nc2)=NO1 ZINC000852797209 588703720 /nfs/dbraw/zinc/70/37/20/588703720.db2.gz ZCBMVUJTBZSONR-SSDOTTSWSA-N 0 3 235.247 -0.294 20 0 BBADHN NC[C@@H]1CC(C(=O)Nc2ccc(N)nc2)=NO1 ZINC000852797210 588703746 /nfs/dbraw/zinc/70/37/46/588703746.db2.gz ZCBMVUJTBZSONR-ZETCQYMHSA-N 0 3 235.247 -0.294 20 0 BBADHN C[C@@H]1CN(C(=O)C2=NO[C@H](CN)C2)C[C@@H](C)N1 ZINC000852797519 588703880 /nfs/dbraw/zinc/70/38/80/588703880.db2.gz VJJFMYODKCVGMS-HLTSFMKQSA-N 0 3 240.307 -0.701 20 0 BBADHN C[C@@H]1CN(C(=O)C2=NO[C@@H](CN)C2)C[C@H](C)N1 ZINC000852797520 588703741 /nfs/dbraw/zinc/70/37/41/588703741.db2.gz VJJFMYODKCVGMS-HRDYMLBCSA-N 0 3 240.307 -0.701 20 0 BBADHN C[C@@H]1CN(C(=O)C2=NO[C@@H](CN)C2)C[C@@H](C)N1 ZINC000852797521 588703658 /nfs/dbraw/zinc/70/36/58/588703658.db2.gz VJJFMYODKCVGMS-IWSPIJDZSA-N 0 3 240.307 -0.701 20 0 BBADHN C[C@@H]1CN(C(=O)C2=NO[C@H](CN)C2)C[C@H](C)N1 ZINC000852797522 588703819 /nfs/dbraw/zinc/70/38/19/588703819.db2.gz VJJFMYODKCVGMS-YIZRAAEISA-N 0 3 240.307 -0.701 20 0 BBADHN C[C@H](NN1CCN[C@H](C)C1)c1ncnn1C ZINC000852797569 588703641 /nfs/dbraw/zinc/70/36/41/588703641.db2.gz WPMSWAKBPJXRBO-BDAKNGLRSA-N 0 3 224.312 -0.326 20 0 BBADHN C[C@@H](NN1CCN[C@@H](C)C1)c1ncnn1C ZINC000852797570 588703843 /nfs/dbraw/zinc/70/38/43/588703843.db2.gz WPMSWAKBPJXRBO-DTWKUNHWSA-N 0 3 224.312 -0.326 20 0 BBADHN C[C@H](NN1CCN[C@@H](C)C1)c1ncnn1C ZINC000852797571 588702765 /nfs/dbraw/zinc/70/27/65/588702765.db2.gz WPMSWAKBPJXRBO-IUCAKERBSA-N 0 3 224.312 -0.326 20 0 BBADHN C[C@@H](NN1CCN[C@H](C)C1)c1ncnn1C ZINC000852797572 588702588 /nfs/dbraw/zinc/70/25/88/588702588.db2.gz WPMSWAKBPJXRBO-RKDXNWHRSA-N 0 3 224.312 -0.326 20 0 BBADHN CC1(C)CNCCN1C(=O)C1=NO[C@@H](CN)C1 ZINC000852799028 588703954 /nfs/dbraw/zinc/70/39/54/588703954.db2.gz PWNOWPNDFAAFPN-MRVPVSSYSA-N 0 3 240.307 -0.700 20 0 BBADHN CC1(C)CNCCN1C(=O)C1=NO[C@H](CN)C1 ZINC000852799031 588704134 /nfs/dbraw/zinc/70/41/34/588704134.db2.gz PWNOWPNDFAAFPN-QMMMGPOBSA-N 0 3 240.307 -0.700 20 0 BBADHN C[C@@H]1CN(C(=O)C2=NO[C@@H](CN)C2)C[C@H](C)O1 ZINC000852800326 588704404 /nfs/dbraw/zinc/70/44/04/588704404.db2.gz NPHYTFYBBVSKQE-HRDYMLBCSA-N 0 3 241.291 -0.274 20 0 BBADHN C[C@@H]1CN(C(=O)C2=NO[C@H](CN)C2)C[C@H](C)O1 ZINC000852800330 588704326 /nfs/dbraw/zinc/70/43/26/588704326.db2.gz NPHYTFYBBVSKQE-YIZRAAEISA-N 0 3 241.291 -0.274 20 0 BBADHN NC[C@H]1CC(C(=O)NC[C@H]2CCCO2)=NO1 ZINC000852800359 588704266 /nfs/dbraw/zinc/70/42/66/588704266.db2.gz OJWTZYDBLPXUMI-HTQZYQBOSA-N 0 3 227.264 -0.615 20 0 BBADHN NC[C@H]1CC(C(=O)NC[C@@H]2CCCO2)=NO1 ZINC000852800360 588704340 /nfs/dbraw/zinc/70/43/40/588704340.db2.gz OJWTZYDBLPXUMI-JGVFFNPUSA-N 0 3 227.264 -0.615 20 0 BBADHN NC[C@@H]1CC(C(=O)NC[C@H]2CCCO2)=NO1 ZINC000852800361 588704416 /nfs/dbraw/zinc/70/44/16/588704416.db2.gz OJWTZYDBLPXUMI-SFYZADRCSA-N 0 3 227.264 -0.615 20 0 BBADHN NC[C@@H]1CC(C(=O)NC[C@@H]2CCCO2)=NO1 ZINC000852800362 588704263 /nfs/dbraw/zinc/70/42/63/588704263.db2.gz OJWTZYDBLPXUMI-YUMQZZPRSA-N 0 3 227.264 -0.615 20 0 BBADHN COCCCNC(=O)C1=NO[C@@H](CN)C1 ZINC000852801216 588704364 /nfs/dbraw/zinc/70/43/64/588704364.db2.gz XQOMSPQWPABPOQ-SSDOTTSWSA-N 0 3 215.253 -0.757 20 0 BBADHN COCCCNC(=O)C1=NO[C@H](CN)C1 ZINC000852801224 588704429 /nfs/dbraw/zinc/70/44/29/588704429.db2.gz XQOMSPQWPABPOQ-ZETCQYMHSA-N 0 3 215.253 -0.757 20 0 BBADHN COC[C@@H](C)NC(=O)C1=NO[C@@H](CN)C1 ZINC000852801524 588704638 /nfs/dbraw/zinc/70/46/38/588704638.db2.gz OSKISCGCNJIJKN-RNFRBKRXSA-N 0 3 215.253 -0.759 20 0 BBADHN COC[C@@H](C)NC(=O)C1=NO[C@H](CN)C1 ZINC000852801525 588704615 /nfs/dbraw/zinc/70/46/15/588704615.db2.gz OSKISCGCNJIJKN-RQJHMYQMSA-N 0 3 215.253 -0.759 20 0 BBADHN CCOCCCNC(=O)C1=NO[C@@H](CN)C1 ZINC000852801613 588704492 /nfs/dbraw/zinc/70/44/92/588704492.db2.gz RKXRRWDMUZGFMS-MRVPVSSYSA-N 0 3 229.280 -0.367 20 0 BBADHN CCOCCCNC(=O)C1=NO[C@H](CN)C1 ZINC000852801614 588704438 /nfs/dbraw/zinc/70/44/38/588704438.db2.gz RKXRRWDMUZGFMS-QMMMGPOBSA-N 0 3 229.280 -0.367 20 0 BBADHN CC(C)NCC(=O)NCC1N=NC(=S)N1C ZINC000852801933 588704742 /nfs/dbraw/zinc/70/47/42/588704742.db2.gz FYMJVGCITGLVPP-UHFFFAOYSA-N 0 3 243.336 -0.282 20 0 BBADHN CC(C)NCC(=O)NCCCN1CCOC1=O ZINC000852802556 588704709 /nfs/dbraw/zinc/70/47/09/588704709.db2.gz PXRWYDHNKREOPP-UHFFFAOYSA-N 0 3 243.307 -0.057 20 0 BBADHN COC(=O)CCCNC(=O)C1=NO[C@@H](CN)C1 ZINC000852802595 588704728 /nfs/dbraw/zinc/70/47/28/588704728.db2.gz RBWWVBUSIZHOLZ-SSDOTTSWSA-N 0 3 243.263 -0.841 20 0 BBADHN COC(=O)CCCNC(=O)C1=NO[C@H](CN)C1 ZINC000852802596 588704740 /nfs/dbraw/zinc/70/47/40/588704740.db2.gz RBWWVBUSIZHOLZ-ZETCQYMHSA-N 0 3 243.263 -0.841 20 0 BBADHN Cc1cc(NC(=O)C2=NO[C@@H](CN)C2)n(C)n1 ZINC000852802846 588704673 /nfs/dbraw/zinc/70/46/73/588704673.db2.gz QAAWUZDFFPIRHK-SSDOTTSWSA-N 0 3 237.263 -0.229 20 0 BBADHN Cc1cc(NC(=O)C2=NO[C@H](CN)C2)n(C)n1 ZINC000852802847 588704620 /nfs/dbraw/zinc/70/46/20/588704620.db2.gz QAAWUZDFFPIRHK-ZETCQYMHSA-N 0 3 237.263 -0.229 20 0 BBADHN CSCCNC(=O)C1=NO[C@H](CN)C1 ZINC000852804022 588704611 /nfs/dbraw/zinc/70/46/11/588704611.db2.gz UWRKBJFZHDNROH-LURJTMIESA-N 0 3 217.294 -0.431 20 0 BBADHN CSCCNC(=O)C1=NO[C@@H](CN)C1 ZINC000852804023 588704458 /nfs/dbraw/zinc/70/44/58/588704458.db2.gz UWRKBJFZHDNROH-ZCFIWIBFSA-N 0 3 217.294 -0.431 20 0 BBADHN CCn1nccc1NC(=O)C1=NO[C@@H](CN)C1 ZINC000852804864 588704447 /nfs/dbraw/zinc/70/44/47/588704447.db2.gz XUZPJYAJZFWNGK-SSDOTTSWSA-N 0 3 237.263 -0.055 20 0 BBADHN CCn1nccc1NC(=O)C1=NO[C@H](CN)C1 ZINC000852804866 588704535 /nfs/dbraw/zinc/70/45/35/588704535.db2.gz XUZPJYAJZFWNGK-ZETCQYMHSA-N 0 3 237.263 -0.055 20 0 BBADHN COC1CCN(C(=O)C2=NO[C@@H](CN)C2)CC1 ZINC000852805472 588704547 /nfs/dbraw/zinc/70/45/47/588704547.db2.gz ALDCZLGZMCOIGQ-SECBINFHSA-N 0 3 241.291 -0.273 20 0 BBADHN COC1CCN(C(=O)C2=NO[C@H](CN)C2)CC1 ZINC000852805473 588704715 /nfs/dbraw/zinc/70/47/15/588704715.db2.gz ALDCZLGZMCOIGQ-VIFPVBQESA-N 0 3 241.291 -0.273 20 0 BBADHN C[C@@H]1CN(C(=O)C2=NO[C@@H](CN)C2)CCO1 ZINC000852805553 588704629 /nfs/dbraw/zinc/70/46/29/588704629.db2.gz CNPSWXQFURHXJR-HTQZYQBOSA-N 0 3 227.264 -0.663 20 0 BBADHN C[C@H]1CN(C(=O)C2=NO[C@@H](CN)C2)CCO1 ZINC000852805554 588704677 /nfs/dbraw/zinc/70/46/77/588704677.db2.gz CNPSWXQFURHXJR-JGVFFNPUSA-N 0 3 227.264 -0.663 20 0 BBADHN C[C@@H]1CN(C(=O)C2=NO[C@H](CN)C2)CCO1 ZINC000852805555 588704524 /nfs/dbraw/zinc/70/45/24/588704524.db2.gz CNPSWXQFURHXJR-SFYZADRCSA-N 0 3 227.264 -0.663 20 0 BBADHN C[C@H]1CN(C(=O)C2=NO[C@H](CN)C2)CCO1 ZINC000852805556 588704707 /nfs/dbraw/zinc/70/47/07/588704707.db2.gz CNPSWXQFURHXJR-YUMQZZPRSA-N 0 3 227.264 -0.663 20 0 BBADHN Cn1ccc(NC(=O)C2=NO[C@H](CN)C2)n1 ZINC000852806474 588704979 /nfs/dbraw/zinc/70/49/79/588704979.db2.gz IKLZMUZIPYVJNG-LURJTMIESA-N 0 3 223.236 -0.538 20 0 BBADHN Cn1ccc(NC(=O)C2=NO[C@@H](CN)C2)n1 ZINC000852806475 588704925 /nfs/dbraw/zinc/70/49/25/588704925.db2.gz IKLZMUZIPYVJNG-ZCFIWIBFSA-N 0 3 223.236 -0.538 20 0 BBADHN CC[C@H](COC)NC(=O)C1=NO[C@@H](CN)C1 ZINC000852807969 588704904 /nfs/dbraw/zinc/70/49/04/588704904.db2.gz FUUYCMPMLCNFTH-HTQZYQBOSA-N 0 3 229.280 -0.369 20 0 BBADHN CC[C@@H](COC)NC(=O)C1=NO[C@@H](CN)C1 ZINC000852807970 588704886 /nfs/dbraw/zinc/70/48/86/588704886.db2.gz FUUYCMPMLCNFTH-JGVFFNPUSA-N 0 3 229.280 -0.369 20 0 BBADHN CC[C@H](COC)NC(=O)C1=NO[C@H](CN)C1 ZINC000852807971 588704950 /nfs/dbraw/zinc/70/49/50/588704950.db2.gz FUUYCMPMLCNFTH-SFYZADRCSA-N 0 3 229.280 -0.369 20 0 BBADHN CC[C@@H](COC)NC(=O)C1=NO[C@H](CN)C1 ZINC000852807972 588704989 /nfs/dbraw/zinc/70/49/89/588704989.db2.gz FUUYCMPMLCNFTH-YUMQZZPRSA-N 0 3 229.280 -0.369 20 0 BBADHN COCCN(C)C(=O)C1=NO[C@@H](CN)C1 ZINC000852808081 588704842 /nfs/dbraw/zinc/70/48/42/588704842.db2.gz JDOPGQHPWMHUSO-SSDOTTSWSA-N 0 3 215.253 -0.805 20 0 BBADHN COCCN(C)C(=O)C1=NO[C@H](CN)C1 ZINC000852808082 588704877 /nfs/dbraw/zinc/70/48/77/588704877.db2.gz JDOPGQHPWMHUSO-ZETCQYMHSA-N 0 3 215.253 -0.805 20 0 BBADHN NC[C@H]1CC(C(=O)N2CCSCC2)=NO1 ZINC000852808101 588704961 /nfs/dbraw/zinc/70/49/61/588704961.db2.gz JXFBRJGBGSKJSN-SSDOTTSWSA-N 0 3 229.305 -0.335 20 0 BBADHN NC[C@@H]1CC(C(=O)N2CCSCC2)=NO1 ZINC000852808102 588704991 /nfs/dbraw/zinc/70/49/91/588704991.db2.gz JXFBRJGBGSKJSN-ZETCQYMHSA-N 0 3 229.305 -0.335 20 0 BBADHN CSCCCNC(=O)C1=NO[C@@H](CN)C1 ZINC000852808369 588705036 /nfs/dbraw/zinc/70/50/36/588705036.db2.gz UIKQSWZYZDJPDI-SSDOTTSWSA-N 0 3 231.321 -0.041 20 0 BBADHN CSCCCNC(=O)C1=NO[C@H](CN)C1 ZINC000852808370 588704778 /nfs/dbraw/zinc/70/47/78/588704778.db2.gz UIKQSWZYZDJPDI-ZETCQYMHSA-N 0 3 231.321 -0.041 20 0 BBADHN CCOCCNC(=O)C1=NO[C@@H](CN)C1 ZINC000852808464 588704930 /nfs/dbraw/zinc/70/49/30/588704930.db2.gz YEHMINUARPFONC-SSDOTTSWSA-N 0 3 215.253 -0.757 20 0 BBADHN CCOCCNC(=O)C1=NO[C@H](CN)C1 ZINC000852808465 588704760 /nfs/dbraw/zinc/70/47/60/588704760.db2.gz YEHMINUARPFONC-ZETCQYMHSA-N 0 3 215.253 -0.757 20 0 BBADHN Cc1nonc1CNC(=O)CNC(C)C ZINC000852808548 588705010 /nfs/dbraw/zinc/70/50/10/588705010.db2.gz BJRBIZFNSWNPRH-UHFFFAOYSA-N 0 3 212.253 -0.008 20 0 BBADHN CC[C@@H]1CN(C(=O)C2=NO[C@H](CN)C2)CCO1 ZINC000852808959 588704891 /nfs/dbraw/zinc/70/48/91/588704891.db2.gz OPDDTMIHZNMMGR-BDAKNGLRSA-N 0 3 241.291 -0.273 20 0 BBADHN CC[C@H]1CN(C(=O)C2=NO[C@@H](CN)C2)CCO1 ZINC000852808960 588704987 /nfs/dbraw/zinc/70/49/87/588704987.db2.gz OPDDTMIHZNMMGR-DTWKUNHWSA-N 0 3 241.291 -0.273 20 0 BBADHN CC[C@H]1CN(C(=O)C2=NO[C@H](CN)C2)CCO1 ZINC000852808961 588704833 /nfs/dbraw/zinc/70/48/33/588704833.db2.gz OPDDTMIHZNMMGR-IUCAKERBSA-N 0 3 241.291 -0.273 20 0 BBADHN CC[C@@H]1CN(C(=O)C2=NO[C@@H](CN)C2)CCO1 ZINC000852808962 588705033 /nfs/dbraw/zinc/70/50/33/588705033.db2.gz OPDDTMIHZNMMGR-RKDXNWHRSA-N 0 3 241.291 -0.273 20 0 BBADHN CCOC(=O)CCNC(=O)C1=NO[C@@H](CN)C1 ZINC000852809122 588704838 /nfs/dbraw/zinc/70/48/38/588704838.db2.gz ADKNUWFGRRUFPC-SSDOTTSWSA-N 0 3 243.263 -0.841 20 0 BBADHN CCOC(=O)CCNC(=O)C1=NO[C@H](CN)C1 ZINC000852809124 588704917 /nfs/dbraw/zinc/70/49/17/588704917.db2.gz ADKNUWFGRRUFPC-ZETCQYMHSA-N 0 3 243.263 -0.841 20 0 BBADHN CN(C[C@@H]1CCCO1)C(=O)C1=NO[C@@H](CN)C1 ZINC000852810405 588704811 /nfs/dbraw/zinc/70/48/11/588704811.db2.gz SZJDRZFTVZZEGX-DTWKUNHWSA-N 0 3 241.291 -0.273 20 0 BBADHN CN(C[C@@H]1CCCO1)C(=O)C1=NO[C@H](CN)C1 ZINC000852810407 588705026 /nfs/dbraw/zinc/70/50/26/588705026.db2.gz SZJDRZFTVZZEGX-IUCAKERBSA-N 0 3 241.291 -0.273 20 0 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/nfs/dbraw/zinc/78/83/78/588788378.db2.gz RDFPRSRPDQKVAR-VHSXEESVSA-N 0 3 228.292 -0.282 20 0 BBADHN CN(C)C[C@H](CO)NC(=O)[C@@H]1CCC=CO1 ZINC000854465404 588788555 /nfs/dbraw/zinc/78/85/55/588788555.db2.gz RDFPRSRPDQKVAR-ZJUUUORDSA-N 0 3 228.292 -0.282 20 0 BBADHN CN(C)C[C@@H](CO)NC(=O)C1(N(C)C)CCC1 ZINC000854465964 588788563 /nfs/dbraw/zinc/78/85/63/588788563.db2.gz VIZFWOPWFYXJEC-JTQLQIEISA-N 0 3 243.351 -0.491 20 0 BBADHN CN(C)C[C@H](CO)NC(=O)C1(N(C)C)CCC1 ZINC000854465965 588788425 /nfs/dbraw/zinc/78/84/25/588788425.db2.gz VIZFWOPWFYXJEC-SNVBAGLBSA-N 0 3 243.351 -0.491 20 0 BBADHN COC/C=C/C(=O)N[C@H](CO)CN(C)C ZINC000854466090 588788439 /nfs/dbraw/zinc/78/84/39/588788439.db2.gz VUTFOGZFIYLHCK-MOVJSRMASA-N 0 3 216.281 -0.772 20 0 BBADHN COC/C=C\C(=O)N[C@H](CO)CN(C)C ZINC000854466091 588788526 /nfs/dbraw/zinc/78/85/26/588788526.db2.gz VUTFOGZFIYLHCK-WBSSQXGSSA-N 0 3 216.281 -0.772 20 0 BBADHN COC/C=C/C(=O)N[C@@H](CO)CN(C)C ZINC000854466092 588788578 /nfs/dbraw/zinc/78/85/78/588788578.db2.gz VUTFOGZFIYLHCK-XNPJLODASA-N 0 3 216.281 -0.772 20 0 BBADHN COC/C=C\C(=O)N[C@@H](CO)CN(C)C ZINC000854466093 588788433 /nfs/dbraw/zinc/78/84/33/588788433.db2.gz VUTFOGZFIYLHCK-XRVBUDJMSA-N 0 3 216.281 -0.772 20 0 BBADHN CN(C)C[C@H](CO)NC(=O)C[C@H]1CCCOC1 ZINC000854466184 588788357 /nfs/dbraw/zinc/78/83/57/588788357.db2.gz YCRVSTAIFQUCSE-GHMZBOCLSA-N 0 3 244.335 -0.158 20 0 BBADHN CN(C)C[C@@H](CO)NC(=O)C[C@H]1CCCOC1 ZINC000854466185 588788739 /nfs/dbraw/zinc/78/87/39/588788739.db2.gz YCRVSTAIFQUCSE-MNOVXSKESA-N 0 3 244.335 -0.158 20 0 BBADHN CN(C)C[C@@H](CO)NC(=O)C[C@@H]1CCCOC1 ZINC000854466186 588788957 /nfs/dbraw/zinc/78/89/57/588788957.db2.gz YCRVSTAIFQUCSE-QWRGUYRKSA-N 0 3 244.335 -0.158 20 0 BBADHN CN(C)C[C@H](CO)NC(=O)C[C@@H]1CCCOC1 ZINC000854466187 588788860 /nfs/dbraw/zinc/78/88/60/588788860.db2.gz YCRVSTAIFQUCSE-WDEREUQCSA-N 0 3 244.335 -0.158 20 0 BBADHN CN(C)C[C@@H](CO)NC(=O)COC1(C)CCC1 ZINC000854466376 588788725 /nfs/dbraw/zinc/78/87/25/588788725.db2.gz BRRHBEFLZIAQBI-JTQLQIEISA-N 0 3 244.335 -0.016 20 0 BBADHN CN(C)C[C@H](CO)NC(=O)COC1(C)CCC1 ZINC000854466377 588788667 /nfs/dbraw/zinc/78/86/67/588788667.db2.gz BRRHBEFLZIAQBI-SNVBAGLBSA-N 0 3 244.335 -0.016 20 0 BBADHN CN(C)C[C@H](CO)NC(=O)[C@H](O)C(C)(C)C ZINC000854466386 588788653 /nfs/dbraw/zinc/78/86/53/588788653.db2.gz BYPIKCOCVPRARF-BDAKNGLRSA-N 0 3 232.324 -0.568 20 0 BBADHN CN(C)C[C@@H](CO)NC(=O)[C@@H](O)C(C)(C)C ZINC000854466387 588788955 /nfs/dbraw/zinc/78/89/55/588788955.db2.gz BYPIKCOCVPRARF-DTWKUNHWSA-N 0 3 232.324 -0.568 20 0 BBADHN CN(C)C[C@@H](CO)NC(=O)[C@H](O)C(C)(C)C ZINC000854466388 588788707 /nfs/dbraw/zinc/78/87/07/588788707.db2.gz BYPIKCOCVPRARF-IUCAKERBSA-N 0 3 232.324 -0.568 20 0 BBADHN CN(C)C[C@H](CO)NC(=O)[C@@H](O)C(C)(C)C ZINC000854466389 588788754 /nfs/dbraw/zinc/78/87/54/588788754.db2.gz BYPIKCOCVPRARF-RKDXNWHRSA-N 0 3 232.324 -0.568 20 0 BBADHN C/C=C(/C)C(=O)N[C@@H](CO)CN(C)C ZINC000854466500 588788711 /nfs/dbraw/zinc/78/87/11/588788711.db2.gz DZJSDZFQRSKZNV-BZJXQOFCSA-N 0 3 200.282 -0.009 20 0 BBADHN C/C=C(\C)C(=O)N[C@H](CO)CN(C)C ZINC000854466501 588788734 /nfs/dbraw/zinc/78/87/34/588788734.db2.gz DZJSDZFQRSKZNV-QRJSTWQJSA-N 0 3 200.282 -0.009 20 0 BBADHN C/C=C(/C)C(=O)N[C@H](CO)CN(C)C ZINC000854466502 588788866 /nfs/dbraw/zinc/78/88/66/588788866.db2.gz DZJSDZFQRSKZNV-RDOCRHDPSA-N 0 3 200.282 -0.009 20 0 BBADHN C/C=C(\C)C(=O)N[C@@H](CO)CN(C)C ZINC000854466503 588788903 /nfs/dbraw/zinc/78/89/03/588788903.db2.gz DZJSDZFQRSKZNV-WHXYTISESA-N 0 3 200.282 -0.009 20 0 BBADHN CN(C)C[C@H](CO)NC(=O)C1=COCC1 ZINC000854466586 588788874 /nfs/dbraw/zinc/78/88/74/588788874.db2.gz GQSDUXSDBKLZRA-SECBINFHSA-N 0 3 214.265 -0.671 20 0 BBADHN CN(C)C[C@@H](CO)NC(=O)C1=COCC1 ZINC000854466587 588788643 /nfs/dbraw/zinc/78/86/43/588788643.db2.gz GQSDUXSDBKLZRA-VIFPVBQESA-N 0 3 214.265 -0.671 20 0 BBADHN CN(C)C[C@H](CO)NC(=O)C1=CCCCO1 ZINC000854466590 588788790 /nfs/dbraw/zinc/78/87/90/588788790.db2.gz GSERVJHPIGKBTG-SECBINFHSA-N 0 3 228.292 -0.281 20 0 BBADHN CN(C)C[C@@H](CO)NC(=O)C1=CCCCO1 ZINC000854466591 588788802 /nfs/dbraw/zinc/78/88/02/588788802.db2.gz GSERVJHPIGKBTG-VIFPVBQESA-N 0 3 228.292 -0.281 20 0 BBADHN CN(C)C[C@@H](CO)NC(=O)CC1(O)CCCC1 ZINC000854466684 588788701 /nfs/dbraw/zinc/78/87/01/588788701.db2.gz ILGDPERDBHRSKL-JTQLQIEISA-N 0 3 244.335 -0.280 20 0 BBADHN CN(C)C[C@H](CO)NC(=O)CC1(O)CCCC1 ZINC000854466685 588788942 /nfs/dbraw/zinc/78/89/42/588788942.db2.gz ILGDPERDBHRSKL-SNVBAGLBSA-N 0 3 244.335 -0.280 20 0 BBADHN Cc1nonc1C(=O)N[C@@H](CO)CN(C)C ZINC000854466770 588788783 /nfs/dbraw/zinc/78/87/83/588788783.db2.gz KGYLWPYRPRLGFP-SSDOTTSWSA-N 0 3 228.252 -0.970 20 0 BBADHN Cc1nonc1C(=O)N[C@H](CO)CN(C)C ZINC000854466771 588788728 /nfs/dbraw/zinc/78/87/28/588788728.db2.gz KGYLWPYRPRLGFP-ZETCQYMHSA-N 0 3 228.252 -0.970 20 0 BBADHN CO[C@H](C)CC(=O)N[C@H](CO)CN(C)C ZINC000854466856 588788947 /nfs/dbraw/zinc/78/89/47/588788947.db2.gz LWGKEDORHYDFJC-BDAKNGLRSA-N 0 3 218.297 -0.550 20 0 BBADHN CO[C@@H](C)CC(=O)N[C@@H](CO)CN(C)C ZINC000854466857 588788751 /nfs/dbraw/zinc/78/87/51/588788751.db2.gz LWGKEDORHYDFJC-DTWKUNHWSA-N 0 3 218.297 -0.550 20 0 BBADHN CO[C@@H](C)CC(=O)N[C@H](CO)CN(C)C ZINC000854466858 588788876 /nfs/dbraw/zinc/78/88/76/588788876.db2.gz LWGKEDORHYDFJC-IUCAKERBSA-N 0 3 218.297 -0.550 20 0 BBADHN CO[C@H](C)CC(=O)N[C@@H](CO)CN(C)C ZINC000854466859 588788682 /nfs/dbraw/zinc/78/86/82/588788682.db2.gz LWGKEDORHYDFJC-RKDXNWHRSA-N 0 3 218.297 -0.550 20 0 BBADHN CS/C=C\C(=O)N[C@H](CO)CN(C)C ZINC000854467272 588788770 /nfs/dbraw/zinc/78/87/70/588788770.db2.gz SYNDNBBJFLLXCX-LGYSABEFSA-N 0 3 218.322 -0.098 20 0 BBADHN CS/C=C\C(=O)N[C@@H](CO)CN(C)C ZINC000854467274 588788678 /nfs/dbraw/zinc/78/86/78/588788678.db2.gz SYNDNBBJFLLXCX-PULIVWKDSA-N 0 3 218.322 -0.098 20 0 BBADHN CS/C=C/C(=O)N[C@@H](CO)CN(C)C ZINC000854467275 588788800 /nfs/dbraw/zinc/78/88/00/588788800.db2.gz SYNDNBBJFLLXCX-WTSVBCDHSA-N 0 3 218.322 -0.098 20 0 BBADHN CS/C=C/C(=O)N[C@H](CO)CN(C)C ZINC000854467276 588788921 /nfs/dbraw/zinc/78/89/21/588788921.db2.gz SYNDNBBJFLLXCX-ZJELKQJVSA-N 0 3 218.322 -0.098 20 0 BBADHN CN(C)C[C@@H](CO)NC(=O)CSC(F)F ZINC000854467303 588788929 /nfs/dbraw/zinc/78/89/29/588788929.db2.gz DIJJLPZGWUJEQR-LURJTMIESA-N 0 3 242.291 -0.019 20 0 BBADHN CN(C)C[C@H](CO)NC(=O)CSC(F)F ZINC000854467304 588788888 /nfs/dbraw/zinc/78/88/88/588788888.db2.gz DIJJLPZGWUJEQR-ZCFIWIBFSA-N 0 3 242.291 -0.019 20 0 BBADHN Cc1[nH]c(=O)[nH]c1C(=O)N[C@@H](CO)CN(C)C ZINC000854467521 588788835 /nfs/dbraw/zinc/78/88/35/588788835.db2.gz HVRRFZRNFASVSQ-SSDOTTSWSA-N 0 3 242.279 -0.924 20 0 BBADHN Cc1[nH]c(=O)[nH]c1C(=O)N[C@H](CO)CN(C)C ZINC000854467522 588788896 /nfs/dbraw/zinc/78/88/96/588788896.db2.gz HVRRFZRNFASVSQ-ZETCQYMHSA-N 0 3 242.279 -0.924 20 0 BBADHN CCC1(C(=O)N[C@@H](CO)CN(C)C)COC1 ZINC000854467598 588788848 /nfs/dbraw/zinc/78/88/48/588788848.db2.gz WBVWZYAXOKHDGQ-SECBINFHSA-N 0 3 230.308 -0.548 20 0 BBADHN CCC1(C(=O)N[C@H](CO)CN(C)C)COC1 ZINC000854467599 588788831 /nfs/dbraw/zinc/78/88/31/588788831.db2.gz WBVWZYAXOKHDGQ-VIFPVBQESA-N 0 3 230.308 -0.548 20 0 BBADHN CN(C)C[C@H](CO)NC(=O)c1ncccn1 ZINC000854467644 588788798 /nfs/dbraw/zinc/78/87/98/588788798.db2.gz WTXMQBQGUWYMGI-MRVPVSSYSA-N 0 3 224.264 -0.871 20 0 BBADHN CN(C)C[C@@H](CO)NC(=O)c1ncccn1 ZINC000854467645 588788732 /nfs/dbraw/zinc/78/87/32/588788732.db2.gz WTXMQBQGUWYMGI-QMMMGPOBSA-N 0 3 224.264 -0.871 20 0 BBADHN CN(C)C[C@H](CO)NC(=O)/C=C\[C@H]1CCCO1 ZINC000854467985 588788737 /nfs/dbraw/zinc/78/87/37/588788737.db2.gz NKSKPMUTJLYTEM-ADRPCIBZSA-N 0 3 242.319 -0.240 20 0 BBADHN CN(C)C[C@H](CO)NC(=O)/C=C\[C@@H]1CCCO1 ZINC000854467986 588788872 /nfs/dbraw/zinc/78/88/72/588788872.db2.gz NKSKPMUTJLYTEM-MXFLAHGMSA-N 0 3 242.319 -0.240 20 0 BBADHN CN(C)C[C@H](CO)NC(=O)/C=C/[C@@H]1CCCO1 ZINC000854467987 588788845 /nfs/dbraw/zinc/78/88/45/588788845.db2.gz NKSKPMUTJLYTEM-PVTPVBHGSA-N 0 3 242.319 -0.240 20 0 BBADHN CN(C)C[C@H](CO)NC(=O)/C=C/[C@H]1CCCO1 ZINC000854467988 588788878 /nfs/dbraw/zinc/78/88/78/588788878.db2.gz NKSKPMUTJLYTEM-XIJCSBCJSA-N 0 3 242.319 -0.240 20 0 BBADHN CN(C)C[C@H](CO)NC(=O)CC1(O)CCC1 ZINC000854468504 588788730 /nfs/dbraw/zinc/78/87/30/588788730.db2.gz QYEDUYKQJSTDMO-SECBINFHSA-N 0 3 230.308 -0.670 20 0 BBADHN CN(C)C[C@@H](CO)NC(=O)CC1(O)CCC1 ZINC000854468505 588788779 /nfs/dbraw/zinc/78/87/79/588788779.db2.gz QYEDUYKQJSTDMO-VIFPVBQESA-N 0 3 230.308 -0.670 20 0 BBADHN CN(C)C[C@H](CO)NC(=O)C1(F)CC1 ZINC000854468549 588788912 /nfs/dbraw/zinc/78/89/12/588788912.db2.gz SMUKSIJLZXTEIC-SSDOTTSWSA-N 0 3 204.245 -0.473 20 0 BBADHN CN(C)C[C@@H](CO)NC(=O)C1(F)CC1 ZINC000854468550 588788671 /nfs/dbraw/zinc/78/86/71/588788671.db2.gz SMUKSIJLZXTEIC-ZETCQYMHSA-N 0 3 204.245 -0.473 20 0 BBADHN CN(C)C[C@@H](CO)NC(=O)[C@@]1(C)CCCCO1 ZINC000854468579 588788910 /nfs/dbraw/zinc/78/89/10/588788910.db2.gz UBUXEBJBSLRPJS-CMPLNLGQSA-N 0 3 244.335 -0.016 20 0 BBADHN CN(C)C[C@@H](CO)NC(=O)[C@]1(C)CCCCO1 ZINC000854468580 588788949 /nfs/dbraw/zinc/78/89/49/588788949.db2.gz UBUXEBJBSLRPJS-JQWIXIFHSA-N 0 3 244.335 -0.016 20 0 BBADHN CN(C)C[C@H](CO)NC(=O)[C@]1(C)CCCCO1 ZINC000854468581 588788695 /nfs/dbraw/zinc/78/86/95/588788695.db2.gz UBUXEBJBSLRPJS-PWSUYJOCSA-N 0 3 244.335 -0.016 20 0 BBADHN CN(C)C[C@H](CO)NC(=O)[C@@]1(C)CCCCO1 ZINC000854468582 588788777 /nfs/dbraw/zinc/78/87/77/588788777.db2.gz UBUXEBJBSLRPJS-ZYHUDNBSSA-N 0 3 244.335 -0.016 20 0 BBADHN CN(C)C[C@H](CO)NC(=O)/C=C\[C@@H]1CCOC1 ZINC000854468925 588789000 /nfs/dbraw/zinc/78/90/00/588789000.db2.gz WDMUIYJTBLRKLM-ANDSXOESSA-N 0 3 242.319 -0.382 20 0 BBADHN CN(C)C[C@H](CO)NC(=O)/C=C\[C@H]1CCOC1 ZINC000854468926 588789070 /nfs/dbraw/zinc/78/90/70/588789070.db2.gz WDMUIYJTBLRKLM-CBZSPVTBSA-N 0 3 242.319 -0.382 20 0 BBADHN CN(C)C[C@H](CO)NC(=O)/C=C/[C@H]1CCOC1 ZINC000854468927 588788917 /nfs/dbraw/zinc/78/89/17/588788917.db2.gz WDMUIYJTBLRKLM-MJKAUQOVSA-N 0 3 242.319 -0.382 20 0 BBADHN CN(C)C[C@H](CO)NC(=O)/C=C/[C@@H]1CCOC1 ZINC000854468928 583086915 /nfs/dbraw/zinc/08/69/15/583086915.db2.gz WDMUIYJTBLRKLM-YIZUVKHSSA-N 0 3 242.319 -0.382 20 0 BBADHN CCCCC[C@@H](O)C(=O)N[C@@H](CO)CN(C)C ZINC000854468937 588789148 /nfs/dbraw/zinc/78/91/48/588789148.db2.gz WGRVGSLEKFYXCA-GHMZBOCLSA-N 0 3 246.351 -0.034 20 0 BBADHN CCCCC[C@H](O)C(=O)N[C@@H](CO)CN(C)C ZINC000854468940 588789044 /nfs/dbraw/zinc/78/90/44/588789044.db2.gz WGRVGSLEKFYXCA-MNOVXSKESA-N 0 3 246.351 -0.034 20 0 BBADHN CCCCC[C@H](O)C(=O)N[C@H](CO)CN(C)C ZINC000854468942 588788995 /nfs/dbraw/zinc/78/89/95/588788995.db2.gz WGRVGSLEKFYXCA-QWRGUYRKSA-N 0 3 246.351 -0.034 20 0 BBADHN CCCCC[C@@H](O)C(=O)N[C@H](CO)CN(C)C ZINC000854468943 588789146 /nfs/dbraw/zinc/78/91/46/588789146.db2.gz WGRVGSLEKFYXCA-WDEREUQCSA-N 0 3 246.351 -0.034 20 0 BBADHN COC/C(C)=C\C(=O)N[C@H](CO)CN(C)C ZINC000854469155 588789015 /nfs/dbraw/zinc/78/90/15/588789015.db2.gz WYMURUNXLGPNPR-BSKOKIOFSA-N 0 3 230.308 -0.382 20 0 BBADHN COC/C(C)=C/C(=O)N[C@H](CO)CN(C)C ZINC000854469156 588789047 /nfs/dbraw/zinc/78/90/47/588789047.db2.gz WYMURUNXLGPNPR-CYNRKNSPSA-N 0 3 230.308 -0.382 20 0 BBADHN COC/C(C)=C\C(=O)N[C@@H](CO)CN(C)C ZINC000854469157 588789125 /nfs/dbraw/zinc/78/91/25/588789125.db2.gz WYMURUNXLGPNPR-HYHWUIIZSA-N 0 3 230.308 -0.382 20 0 BBADHN COC/C(C)=C/C(=O)N[C@@H](CO)CN(C)C ZINC000854469158 588789109 /nfs/dbraw/zinc/78/91/09/588789109.db2.gz WYMURUNXLGPNPR-NAZIUFLLSA-N 0 3 230.308 -0.382 20 0 BBADHN CN(C)C1(C(=O)N[C@@H]2COC(=O)C2)CCC1 ZINC000854554644 588794085 /nfs/dbraw/zinc/79/40/85/588794085.db2.gz VEDWQYQVGDCULY-QMMMGPOBSA-N 0 3 226.276 -0.098 20 0 BBADHN CCCN(C)CC(=O)N[C@@H]1COC(=O)C1 ZINC000854555734 588794262 /nfs/dbraw/zinc/79/42/62/588794262.db2.gz CKLHSLJALXLQSD-QMMMGPOBSA-N 0 3 214.265 -0.240 20 0 BBADHN CC[C@H](C(=O)N[C@@H]1COC(=O)C1)N(C)C ZINC000854555940 588794385 /nfs/dbraw/zinc/79/43/85/588794385.db2.gz CFNAYPLJGYTEGP-JGVFFNPUSA-N 0 3 214.265 -0.242 20 0 BBADHN CC[C@@H](C(=O)N[C@@H]1COC(=O)C1)N(C)C ZINC000854555941 588794186 /nfs/dbraw/zinc/79/41/86/588794186.db2.gz CFNAYPLJGYTEGP-YUMQZZPRSA-N 0 3 214.265 -0.242 20 0 BBADHN CN1CCC(C(=O)N[C@@H]2COC(=O)C2)CC1 ZINC000854556023 588794241 /nfs/dbraw/zinc/79/42/41/588794241.db2.gz GJGRDLILOMFVAG-VIFPVBQESA-N 0 3 226.276 -0.240 20 0 BBADHN COC(=O)N1CC(CN2CCN(C)CC2)C1 ZINC000854642951 588798858 /nfs/dbraw/zinc/79/88/58/588798858.db2.gz PBOSTMWWHVOMET-UHFFFAOYSA-N 0 3 227.308 -0.068 20 0 BBADHN CN(C)C1(C(=O)N2CC(O)(CO)C2)CCC1 ZINC000854673568 588800591 /nfs/dbraw/zinc/80/05/91/588800591.db2.gz JCJBAMZMNUGCIC-UHFFFAOYSA-N 0 3 228.292 -0.964 20 0 BBADHN CN(C)CCONC(=O)C[C@H]1CCC(=O)N1 ZINC000854689676 588801838 /nfs/dbraw/zinc/80/18/38/588801838.db2.gz HHFCBMINZYIBCH-MRVPVSSYSA-N 0 3 229.280 -0.736 20 0 BBADHN CN(C)CCONC(=O)C[C@@H]1CCC(=O)N1 ZINC000854689677 588801800 /nfs/dbraw/zinc/80/18/00/588801800.db2.gz HHFCBMINZYIBCH-QMMMGPOBSA-N 0 3 229.280 -0.736 20 0 BBADHN COCn1ccc(C(=O)NOCCN(C)C)n1 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583095892 /nfs/dbraw/zinc/09/58/92/583095892.db2.gz RSFLXGDUDGHVPR-UWVGGRQHSA-N 0 3 239.319 -0.135 20 0 BBADHN CCN1CC[C@@H](NC(=O)C[C@@H]2CCC(=O)N2)C1 ZINC000854944609 583095934 /nfs/dbraw/zinc/09/59/34/583095934.db2.gz RSFLXGDUDGHVPR-VHSXEESVSA-N 0 3 239.319 -0.135 20 0 BBADHN CCN1CC[C@H](NC(=O)C[C@H]2CCC(=O)N2)C1 ZINC000854944610 583095942 /nfs/dbraw/zinc/09/59/42/583095942.db2.gz RSFLXGDUDGHVPR-ZJUUUORDSA-N 0 3 239.319 -0.135 20 0 BBADHN CCn1nc(C)c(C(=O)NOCCN(C)C)n1 ZINC000854944889 588817499 /nfs/dbraw/zinc/81/74/99/588817499.db2.gz ATVGMZOKUPKMOH-UHFFFAOYSA-N 0 3 241.295 -0.171 20 0 BBADHN Cc1nn[nH]c1C(=O)NOCCN(C)C ZINC000854944918 588817586 /nfs/dbraw/zinc/81/75/86/588817586.db2.gz BPMLICYNHMBRSB-UHFFFAOYSA-N 0 3 213.241 -0.664 20 0 BBADHN COC/C=C\C(=O)NOCCN(C)C ZINC000854944921 588817713 /nfs/dbraw/zinc/81/77/13/588817713.db2.gz BRAKCKRLTJIVQV-PLNGDYQASA-N 0 3 202.254 -0.202 20 0 BBADHN COC/C=C/C(=O)NOCCN(C)C ZINC000854944922 588817588 /nfs/dbraw/zinc/81/75/88/588817588.db2.gz 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/nfs/dbraw/zinc/81/81/78/588818178.db2.gz MQJXWJDDPILLNA-UHFFFAOYSA-N 0 3 245.323 -0.098 20 0 BBADHN CN(C)CCONC(=O)c1cccc(=O)n1C ZINC000854945616 588818167 /nfs/dbraw/zinc/81/81/67/588818167.db2.gz NBWINZKJWXIORO-UHFFFAOYSA-N 0 3 239.275 -0.392 20 0 BBADHN C[NH+](C)CCO[N-]C(=O)CCc1c[nH]cn1 ZINC000854945666 588818012 /nfs/dbraw/zinc/81/80/12/588818012.db2.gz WPBKNTPJKHSSAX-UHFFFAOYSA-N 0 3 226.280 -0.048 20 0 BBADHN CN(C)CCONC(=O)C[C@H]1CCCC(=O)N1 ZINC000854945687 588818155 /nfs/dbraw/zinc/81/81/55/588818155.db2.gz XSIXNNVHDNZUNF-SECBINFHSA-N 0 3 243.307 -0.345 20 0 BBADHN CN(C)CCONC(=O)C[C@@H]1CCCC(=O)N1 ZINC000854945688 588818139 /nfs/dbraw/zinc/81/81/39/588818139.db2.gz XSIXNNVHDNZUNF-VIFPVBQESA-N 0 3 243.307 -0.345 20 0 BBADHN COc1cncc(C(=O)NOCCN(C)C)n1 ZINC000854945709 588817490 /nfs/dbraw/zinc/81/74/90/588817490.db2.gz YITYHCYPZQUEOM-UHFFFAOYSA-N 0 3 240.263 -0.292 20 0 BBADHN CN(C)CCONC(=O)c1ccc2nncn2c1 ZINC000854945725 588818053 /nfs/dbraw/zinc/81/80/53/588818053.db2.gz 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BBADHN CN(C)CCONC(=O)CCN1CCCC1=O ZINC000854945831 588817939 /nfs/dbraw/zinc/81/79/39/588817939.db2.gz RKQDSUYJOFQESJ-UHFFFAOYSA-N 0 3 243.307 -0.392 20 0 BBADHN COC(=O)NCCC(=O)NOCCN(C)C ZINC000854945850 588818120 /nfs/dbraw/zinc/81/81/20/588818120.db2.gz RZZDLWONNFYVBB-UHFFFAOYSA-N 0 3 233.268 -0.658 20 0 BBADHN Cn1nccc1CCC(=O)[N-]OCC[NH+](C)C ZINC000854945895 588817976 /nfs/dbraw/zinc/81/79/76/588817976.db2.gz UURSZYJDWFUVJV-UHFFFAOYSA-N 0 3 240.307 -0.038 20 0 BBADHN C[C@@H](C(=O)[N-]OCC[NH+](C)C)N(C)C ZINC000854945896 588818111 /nfs/dbraw/zinc/81/81/11/588818111.db2.gz UXEHHFXIGBUGMW-QMMMGPOBSA-N 0 3 203.286 -0.454 20 0 BBADHN CN(C)CCONC(=O)c1cccc2ncnn21 ZINC000854945938 588817896 /nfs/dbraw/zinc/81/78/96/588817896.db2.gz XHSQCNVGJJEOCL-UHFFFAOYSA-N 0 3 249.274 -0.048 20 0 BBADHN CN(C)C(=O)CCCC(=O)[N-]OCC[NH+](C)C ZINC000854945954 588818162 /nfs/dbraw/zinc/81/81/62/588818162.db2.gz XZHZFVHIZWTWEW-UHFFFAOYSA-N 0 3 245.323 -0.146 20 0 BBADHN COc1ccc(C(=O)NOCCN(C)C)nn1 ZINC000854945956 588817912 /nfs/dbraw/zinc/81/79/12/588817912.db2.gz YCHLNKYMNBRCDE-UHFFFAOYSA-N 0 3 240.263 -0.292 20 0 BBADHN C[NH+](C)CCO[N-]C(=O)CCCC(N)=O ZINC000854946026 588818347 /nfs/dbraw/zinc/81/83/47/588818347.db2.gz YSJMFPLTQJJDPZ-UHFFFAOYSA-N 0 3 217.269 -0.749 20 0 BBADHN CN(C)CCONC(=O)c1ccc(C(N)=O)o1 ZINC000854946067 588818316 /nfs/dbraw/zinc/81/83/16/588818316.db2.gz ZAMHFZOLKZMJNI-UHFFFAOYSA-N 0 3 241.247 -0.399 20 0 BBADHN Cc1ncc(C(=O)NOCCN(C)C)[nH]1 ZINC000854946087 588817535 /nfs/dbraw/zinc/81/75/35/588817535.db2.gz ZJSLFTRGIRNSQK-UHFFFAOYSA-N 0 3 212.253 -0.059 20 0 BBADHN CN(C)CCONC(=O)c1c[nH]c(C(N)=O)c1 ZINC000854946919 588818429 /nfs/dbraw/zinc/81/84/29/588818429.db2.gz ALQCVUOXJSSOES-UHFFFAOYSA-N 0 3 240.263 -0.663 20 0 BBADHN CN(C)CCONC(=O)c1cnn2cccnc12 ZINC000854946964 588818311 /nfs/dbraw/zinc/81/83/11/588818311.db2.gz CFVCYBMDLFLEOD-UHFFFAOYSA-N 0 3 249.274 -0.048 20 0 BBADHN Cn1cc(CCC(=O)[N-]OCC[NH+](C)C)cn1 ZINC000854947175 588818334 /nfs/dbraw/zinc/81/83/34/588818334.db2.gz JHZGYVCQUYPCGZ-UHFFFAOYSA-N 0 3 240.307 -0.038 20 0 BBADHN Cc1cn(C)nc1C(=O)NOCCN(C)C ZINC000854947180 588818224 /nfs/dbraw/zinc/81/82/24/588818224.db2.gz JLDGXRFZOYUAMI-UHFFFAOYSA-N 0 3 226.280 -0.048 20 0 BBADHN CN(C)CCONC(=O)[C@@H]1CCN(C)C(=O)C1 ZINC000854947207 588818435 /nfs/dbraw/zinc/81/84/35/588818435.db2.gz KVRULAPHDRMCDU-SECBINFHSA-N 0 3 243.307 -0.536 20 0 BBADHN CN(C)CCONC(=O)[C@H]1CCN(C)C(=O)C1 ZINC000854947208 588818433 /nfs/dbraw/zinc/81/84/33/588818433.db2.gz KVRULAPHDRMCDU-VIFPVBQESA-N 0 3 243.307 -0.536 20 0 BBADHN CN(C)CCONC(=O)c1cn2cccnc2n1 ZINC000854947311 588818459 /nfs/dbraw/zinc/81/84/59/588818459.db2.gz PYHVZZURBHNYGC-UHFFFAOYSA-N 0 3 249.274 -0.048 20 0 BBADHN CN(C)CCONC(=O)c1ccc(=O)n(C)c1 ZINC000854947391 588818420 /nfs/dbraw/zinc/81/84/20/588818420.db2.gz UIACOEUJSWJHLH-UHFFFAOYSA-N 0 3 239.275 -0.392 20 0 BBADHN Cc1cc(C(=O)NOCCN(C)C)[nH]n1 ZINC000854947472 588818478 /nfs/dbraw/zinc/81/84/78/588818478.db2.gz 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ZINC000858558844 588965823 /nfs/dbraw/zinc/96/58/23/588965823.db2.gz AVTNHDXBCHJTIF-QMMMGPOBSA-N 0 3 246.221 -0.758 20 0 BBADHN Nc1nc(N)nc(N2C[C@@H](F)[C@@H](F)C2)n1 ZINC000858559623 588965724 /nfs/dbraw/zinc/96/57/24/588965724.db2.gz LRPVYSLCVFEYNQ-ZXZARUISSA-N 0 3 216.195 -0.468 20 0 BBADHN C[C@@H]1CN(c2ccnc(CO)c2)CC(=O)N1 ZINC000858559939 588966382 /nfs/dbraw/zinc/96/63/82/588966382.db2.gz BUGWLKVIYCUSLO-MRVPVSSYSA-N 0 3 221.260 -0.101 20 0 BBADHN C[C@H]1CN(c2ccnc(CO)c2)CC(=O)N1 ZINC000858559940 588966102 /nfs/dbraw/zinc/96/61/02/588966102.db2.gz BUGWLKVIYCUSLO-QMMMGPOBSA-N 0 3 221.260 -0.101 20 0 BBADHN CC1=NO[C@@H](CNc2nc(N)nc(N)n2)C1 ZINC000858560406 588966116 /nfs/dbraw/zinc/96/61/16/588966116.db2.gz RTEOOHZRANZNEM-RXMQYKEDSA-N 0 3 223.240 -0.387 20 0 BBADHN CC1=NO[C@H](CNc2nc(N)nc(N)n2)C1 ZINC000858560418 582466229 /nfs/dbraw/zinc/46/62/29/582466229.db2.gz RTEOOHZRANZNEM-YFKPBYRVSA-N 0 3 223.240 -0.387 20 0 BBADHN OCc1cc(N[C@@H]2COC[C@H]2O)ccn1 ZINC000858562035 588966346 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/nfs/dbraw/zinc/96/79/45/588967945.db2.gz BNRIRCLNNHICKD-PSASIEDQSA-N 0 3 247.364 -0.135 20 0 BBADHN C[C@@H]1CC[C@@H]1NC1CN(S(=O)(=O)N(C)C)C1 ZINC000858571057 588967644 /nfs/dbraw/zinc/96/76/44/588967644.db2.gz BNRIRCLNNHICKD-SCZZXKLOSA-N 0 3 247.364 -0.135 20 0 BBADHN C[C@H]1CC[C@H]1NC1CN(S(=O)(=O)N(C)C)C1 ZINC000858571058 588967999 /nfs/dbraw/zinc/96/79/99/588967999.db2.gz BNRIRCLNNHICKD-WCBMZHEXSA-N 0 3 247.364 -0.135 20 0 BBADHN C[C@H]1CC[C@@H]1NC1CN(S(=O)(=O)N(C)C)C1 ZINC000858571059 588967949 /nfs/dbraw/zinc/96/79/49/588967949.db2.gz BNRIRCLNNHICKD-WPRPVWTQSA-N 0 3 247.364 -0.135 20 0 BBADHN CON(C)C(=O)[C@H](C)N[C@H](C)CCO ZINC000858579490 588965127 /nfs/dbraw/zinc/96/51/27/588965127.db2.gz QKTGNKVKGNCBEL-SFYZADRCSA-N 0 3 204.270 -0.245 20 0 BBADHN CON(C)C(=O)[C@H](C)N[C@@H](C)CCO ZINC000858579491 588965041 /nfs/dbraw/zinc/96/50/41/588965041.db2.gz QKTGNKVKGNCBEL-YUMQZZPRSA-N 0 3 204.270 -0.245 20 0 BBADHN CON(C)C(=O)[C@H](C)N[C@H]1CN(C)C[C@@H]1C ZINC000858579537 588968775 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584028777 /nfs/dbraw/zinc/02/87/77/584028777.db2.gz GVFSLGPLYCVBJQ-SCZZXKLOSA-N 0 3 236.275 -0.439 20 0 BBADHN C[C@H](O)[C@H](O)CNCc1cnc2cnccn12 ZINC000865738475 584028818 /nfs/dbraw/zinc/02/88/18/584028818.db2.gz GVFSLGPLYCVBJQ-WCBMZHEXSA-N 0 3 236.275 -0.439 20 0 BBADHN C[C@H](O)[C@@H](O)CNCc1cnc2cnccn12 ZINC000865738476 584029194 /nfs/dbraw/zinc/02/91/94/584029194.db2.gz GVFSLGPLYCVBJQ-WPRPVWTQSA-N 0 3 236.275 -0.439 20 0 BBADHN COCCn1cc(CNC[C@@H](O)[C@H](C)O)cn1 ZINC000865738494 584029175 /nfs/dbraw/zinc/02/91/75/584029175.db2.gz HGVNLOURGWYGGA-GXSJLCMTSA-N 0 3 243.307 -0.639 20 0 BBADHN COCCn1cc(CNC[C@H](O)[C@@H](C)O)cn1 ZINC000865738495 584029149 /nfs/dbraw/zinc/02/91/49/584029149.db2.gz HGVNLOURGWYGGA-KOLCDFICSA-N 0 3 243.307 -0.639 20 0 BBADHN COCCn1cc(CNC[C@@H](O)[C@@H](C)O)cn1 ZINC000865738596 584028810 /nfs/dbraw/zinc/02/88/10/584028810.db2.gz HGVNLOURGWYGGA-MWLCHTKSSA-N 0 3 243.307 -0.639 20 0 BBADHN COCCn1cc(CNC[C@H](O)[C@H](C)O)cn1 ZINC000865738597 584028035 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584028192 /nfs/dbraw/zinc/02/81/92/584028192.db2.gz XROIJCFORUONFI-XVKPBYJWSA-N 0 3 242.275 -0.367 20 0 BBADHN Cc1cn[nH]c1CN[C@@H]1COCC[C@H]1O ZINC000865751444 589460764 /nfs/dbraw/zinc/46/07/64/589460764.db2.gz ZVCATLYLUPYQIA-NXEZZACHSA-N 0 3 211.265 -0.042 20 0 BBADHN O=C1OC[C@@]2(CN[C@H]3CCOC3)COCCN12 ZINC000865770166 589461577 /nfs/dbraw/zinc/46/15/77/589461577.db2.gz OSUHXLZNJRKKGV-GXSJLCMTSA-N 0 3 242.275 -0.414 20 0 BBADHN O=C1OC[C@]2(CN[C@@H]3CCOC3)COCCN12 ZINC000865770168 589461518 /nfs/dbraw/zinc/46/15/18/589461518.db2.gz OSUHXLZNJRKKGV-KOLCDFICSA-N 0 3 242.275 -0.414 20 0 BBADHN O=C1OC[C@@]2(CN[C@@H]3CCOC3)COCCN12 ZINC000865770170 589461585 /nfs/dbraw/zinc/46/15/85/589461585.db2.gz OSUHXLZNJRKKGV-MWLCHTKSSA-N 0 3 242.275 -0.414 20 0 BBADHN O=C1OC[C@]2(CN[C@H]3CCOC3)COCCN12 ZINC000865770171 589461417 /nfs/dbraw/zinc/46/14/17/589461417.db2.gz OSUHXLZNJRKKGV-ONGXEEELSA-N 0 3 242.275 -0.414 20 0 BBADHN CN1CCC[C@H]1CNC(=O)[C@H]1CCC(=O)O1 ZINC000865808596 589462556 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-0.490 20 0 BBADHN CC[C@H](C)[C@H](N)C(=O)N[C@@H](C)C(=O)N(C)OC ZINC000877089725 590280862 /nfs/dbraw/zinc/28/08/62/590280862.db2.gz STBRNPJCIXGFCT-CIUDSAMLSA-N 0 3 245.323 -0.116 20 0 BBADHN CC[C@@H](C)[C@H](N)C(=O)N[C@@H](C)C(=O)N(C)OC ZINC000877089727 590280967 /nfs/dbraw/zinc/28/09/67/590280967.db2.gz STBRNPJCIXGFCT-VGMNWLOBSA-N 0 3 245.323 -0.116 20 0 BBADHN CON(C)C(=O)[C@H](C)NC(=O)CNC1CC1 ZINC000877090134 590280823 /nfs/dbraw/zinc/28/08/23/590280823.db2.gz ZORLVZRJNBXUMX-ZETCQYMHSA-N 0 3 229.280 -0.737 20 0 BBADHN CON(C)C(=O)[C@H](C)NC(=O)CNC(C)C ZINC000877090683 590281111 /nfs/dbraw/zinc/28/11/11/590281111.db2.gz AUMLYLUYOCTGHF-QMMMGPOBSA-N 0 3 231.296 -0.491 20 0 BBADHN CON(C)C(=O)[C@H](C)NC(=O)C1(N)CCC1 ZINC000877091239 590280875 /nfs/dbraw/zinc/28/08/75/590280875.db2.gz FGIGJGREUDSELH-ZETCQYMHSA-N 0 3 229.280 -0.608 20 0 BBADHN CON(C)C(=O)[C@H](C)NC(=O)[C@@H](N)C1CCC1 ZINC000877091552 590281396 /nfs/dbraw/zinc/28/13/96/590281396.db2.gz KSRDYBOFCMNMOB-CBAPKCEASA-N 0 3 243.307 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245.323 -0.101 20 0 BBADHN CCCN[C@@H](C)C(=O)N[C@@H](C)C(=O)N(C)OC ZINC000877091825 590281444 /nfs/dbraw/zinc/28/14/44/590281444.db2.gz QVSYPEWKKMQLRN-IUCAKERBSA-N 0 3 245.323 -0.101 20 0 BBADHN CN[C@@H](C)C(=O)N[C@@H](C)C(=O)N(C)OC ZINC000877091924 590281363 /nfs/dbraw/zinc/28/13/63/590281363.db2.gz RKFTYILZLYDLJD-BQBZGAKWSA-N 0 3 217.269 -0.881 20 0 BBADHN CC[C@@H](NC)C(=O)N[C@@H](C)C(=O)N(C)OC ZINC000877092120 590281235 /nfs/dbraw/zinc/28/12/35/590281235.db2.gz UZOBVEWJDPPYTL-JGVFFNPUSA-N 0 3 231.296 -0.491 20 0 BBADHN CC[C@H](NC)C(=O)N[C@@H](C)C(=O)N(C)OC ZINC000877092121 590281564 /nfs/dbraw/zinc/28/15/64/590281564.db2.gz UZOBVEWJDPPYTL-YUMQZZPRSA-N 0 3 231.296 -0.491 20 0 BBADHN COC(=O)N1CC(NC[C@]2(OC)CCOC2)C1 ZINC000877098929 590282551 /nfs/dbraw/zinc/28/25/51/590282551.db2.gz YGPPDKIJRFXLNH-LLVKDONJSA-N 0 3 244.291 -0.168 20 0 BBADHN COC(=O)N1CC(NC[C@@]2(OC)CCOC2)C1 ZINC000877098930 590282367 /nfs/dbraw/zinc/28/23/67/590282367.db2.gz YGPPDKIJRFXLNH-NSHDSACASA-N 0 3 244.291 -0.168 20 0 BBADHN COC(=O)N1CC(N[C@@H]2CCCNC(=O)C2)C1 ZINC000877098937 590282594 /nfs/dbraw/zinc/28/25/94/590282594.db2.gz YRWXAANQJZDLTG-MRVPVSSYSA-N 0 3 241.291 -0.305 20 0 BBADHN COC(=O)N1CC(N[C@H]2CCCNC(=O)C2)C1 ZINC000877098938 590282436 /nfs/dbraw/zinc/28/24/36/590282436.db2.gz YRWXAANQJZDLTG-QMMMGPOBSA-N 0 3 241.291 -0.305 20 0 BBADHN C[C@@H](N)CN(C)C(=O)C1(S(C)(=O)=O)CCC1 ZINC000877106160 590284859 /nfs/dbraw/zinc/28/48/59/590284859.db2.gz PAJSYSNGOLRVNB-MRVPVSSYSA-N 0 3 248.348 -0.241 20 0 BBADHN C[C@H](N)CN(C)C(=O)C1(S(C)(=O)=O)CCC1 ZINC000877106162 590284784 /nfs/dbraw/zinc/28/47/84/590284784.db2.gz PAJSYSNGOLRVNB-QMMMGPOBSA-N 0 3 248.348 -0.241 20 0 BBADHN C[C@H]([NH3+])CN(C)C(=O)c1cc(=O)[n-]cn1 ZINC000877107050 590285242 /nfs/dbraw/zinc/28/52/42/590285242.db2.gz ZFUAKICXPWNYFP-LURJTMIESA-N 0 3 210.237 -0.399 20 0 BBADHN C[C@@H]([NH3+])CN(C)C(=O)c1cc(=O)[n-]cn1 ZINC000877107051 590285379 /nfs/dbraw/zinc/28/53/79/590285379.db2.gz ZFUAKICXPWNYFP-ZCFIWIBFSA-N 0 3 210.237 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243.307 -0.491 20 0 BBADHN CON(C)C(=O)[C@@H](C)NC(=O)C(C)(C)N ZINC000877107886 590285639 /nfs/dbraw/zinc/28/56/39/590285639.db2.gz GSEDUNWZSMTCBY-ZCFIWIBFSA-N 0 3 217.269 -0.752 20 0 BBADHN CON(C)C(=O)[C@@H](C)NC(=O)[C@@H](N)C1CCC1 ZINC000877108182 590286198 /nfs/dbraw/zinc/28/61/98/590286198.db2.gz KSRDYBOFCMNMOB-APPZFPTMSA-N 0 3 243.307 -0.362 20 0 BBADHN CON(C)C(=O)[C@@H](C)NC(=O)[C@H](N)C1CCC1 ZINC000877108183 590286397 /nfs/dbraw/zinc/28/63/97/590286397.db2.gz KSRDYBOFCMNMOB-VXNVDRBHSA-N 0 3 243.307 -0.362 20 0 BBADHN CON(C)C(=O)[C@@H](C)NC(=O)[C@@H](N)CC(C)C ZINC000877108199 590286321 /nfs/dbraw/zinc/28/63/21/590286321.db2.gz LDYTWIZEBJDYCB-BDAKNGLRSA-N 0 3 245.323 -0.116 20 0 BBADHN CON(C)C(=O)[C@@H](C)NC(=O)[C@@H](C)NC1CC1 ZINC000877108233 590286190 /nfs/dbraw/zinc/28/61/90/590286190.db2.gz LMKVRMHHBYAIQD-HTQZYQBOSA-N 0 3 243.307 -0.349 20 0 BBADHN CON(C)C(=O)[C@@H](C)NC(=O)[C@H](C)NC1CC1 ZINC000877108235 590286455 /nfs/dbraw/zinc/28/64/55/590286455.db2.gz LMKVRMHHBYAIQD-JGVFFNPUSA-N 0 3 243.307 -0.349 20 0 BBADHN CON(C)C(=O)[C@@H](C)NC(=O)[C@H](N)C(C)C ZINC000877108398 590286378 /nfs/dbraw/zinc/28/63/78/590286378.db2.gz NNWDUHUBPQKSEC-HTQZYQBOSA-N 0 3 231.296 -0.506 20 0 BBADHN CON(C)C(=O)[C@@H](C)NC(=O)[C@@H](N)C(C)C ZINC000877108400 590286178 /nfs/dbraw/zinc/28/61/78/590286178.db2.gz NNWDUHUBPQKSEC-SFYZADRCSA-N 0 3 231.296 -0.506 20 0 BBADHN CC[C@@H](N)C(=O)N[C@H](C)C(=O)N(C)OC ZINC000877108490 590286371 /nfs/dbraw/zinc/28/63/71/590286371.db2.gz OOXIGPRWBSEETO-RNFRBKRXSA-N 0 3 217.269 -0.752 20 0 BBADHN CC[C@H](N)C(=O)N[C@H](C)C(=O)N(C)OC ZINC000877108491 590286384 /nfs/dbraw/zinc/28/63/84/590286384.db2.gz OOXIGPRWBSEETO-RQJHMYQMSA-N 0 3 217.269 -0.752 20 0 BBADHN CON(C)C(=O)[C@@H](C)NC(=O)[C@@H]1CCCCN1 ZINC000877108520 590286508 /nfs/dbraw/zinc/28/65/08/590286508.db2.gz PEIHQESVZDNQMT-BDAKNGLRSA-N 0 3 243.307 -0.347 20 0 BBADHN CON(C)C(=O)[C@@H](C)NC(=O)[C@H]1CCCCN1 ZINC000877108521 590286333 /nfs/dbraw/zinc/28/63/33/590286333.db2.gz PEIHQESVZDNQMT-RKDXNWHRSA-N 0 3 243.307 -0.347 20 0 BBADHN CCNCC(=O)N[C@H](C)C(=O)N(C)OC ZINC000877108574 590286205 /nfs/dbraw/zinc/28/62/05/590286205.db2.gz QEPGCEQQHBUDGA-SSDOTTSWSA-N 0 3 217.269 -0.880 20 0 BBADHN CCCN[C@@H](C)C(=O)N[C@H](C)C(=O)N(C)OC ZINC000877108605 590286296 /nfs/dbraw/zinc/28/62/96/590286296.db2.gz QVSYPEWKKMQLRN-DTWKUNHWSA-N 0 3 245.323 -0.101 20 0 BBADHN CCCN[C@H](C)C(=O)N[C@H](C)C(=O)N(C)OC ZINC000877108607 590286485 /nfs/dbraw/zinc/28/64/85/590286485.db2.gz QVSYPEWKKMQLRN-RKDXNWHRSA-N 0 3 245.323 -0.101 20 0 BBADHN CON(C)C(=O)[C@@H](C)NC(=O)CNCC1CC1 ZINC000877108697 590286535 /nfs/dbraw/zinc/28/65/35/590286535.db2.gz RXKMXTGBMIDZKN-MRVPVSSYSA-N 0 3 243.307 -0.490 20 0 BBADHN CC[C@@H](C)[C@H](N)C(=O)N[C@H](C)C(=O)N(C)OC ZINC000877108779 584890382 /nfs/dbraw/zinc/89/03/82/584890382.db2.gz STBRNPJCIXGFCT-HLTSFMKQSA-N 0 3 245.323 -0.116 20 0 BBADHN CC[C@H](C)[C@H](N)C(=O)N[C@H](C)C(=O)N(C)OC ZINC000877108784 584890396 /nfs/dbraw/zinc/89/03/96/584890396.db2.gz STBRNPJCIXGFCT-YIZRAAEISA-N 0 3 245.323 -0.116 20 0 BBADHN C[C@@H](N)CN(C)C(=O)C[C@@H]1CCCS1(=O)=O ZINC000877108959 590286359 /nfs/dbraw/zinc/28/63/59/590286359.db2.gz YCZYFVCGHVRBFE-BDAKNGLRSA-N 0 3 248.348 -0.241 20 0 BBADHN C[C@H](N)CN(C)C(=O)C[C@H]1CCCS1(=O)=O ZINC000877108961 590286139 /nfs/dbraw/zinc/28/61/39/590286139.db2.gz YCZYFVCGHVRBFE-DTWKUNHWSA-N 0 3 248.348 -0.241 20 0 BBADHN C[C@H](N)CN(C)C(=O)C[C@@H]1CCCS1(=O)=O ZINC000877108963 590286130 /nfs/dbraw/zinc/28/61/30/590286130.db2.gz YCZYFVCGHVRBFE-IUCAKERBSA-N 0 3 248.348 -0.241 20 0 BBADHN C[C@@H](N)CN(C)C(=O)C[C@H]1CCCS1(=O)=O ZINC000877108964 590286194 /nfs/dbraw/zinc/28/61/94/590286194.db2.gz YCZYFVCGHVRBFE-RKDXNWHRSA-N 0 3 248.348 -0.241 20 0 BBADHN CON(C)C(=O)[C@@H](C)NC(=O)CNC1CC1 ZINC000877109128 590286704 /nfs/dbraw/zinc/28/67/04/590286704.db2.gz ZORLVZRJNBXUMX-SSDOTTSWSA-N 0 3 229.280 -0.737 20 0 BBADHN CON(C)C(=O)[C@@H](C)NC(=O)CNC(C)C ZINC000877110642 590286891 /nfs/dbraw/zinc/28/68/91/590286891.db2.gz AUMLYLUYOCTGHF-MRVPVSSYSA-N 0 3 231.296 -0.491 20 0 BBADHN CCN[C@H](C)C(=O)N[C@H](C)C(=O)N(C)OC ZINC000877111708 590287368 /nfs/dbraw/zinc/28/73/68/590287368.db2.gz NROCZSAOVPLCRW-HTQZYQBOSA-N 0 3 231.296 -0.491 20 0 BBADHN CCN[C@@H](C)C(=O)N[C@H](C)C(=O)N(C)OC ZINC000877111709 590287482 /nfs/dbraw/zinc/28/74/82/590287482.db2.gz NROCZSAOVPLCRW-JGVFFNPUSA-N 0 3 231.296 -0.491 20 0 BBADHN CN[C@@H](C)C(=O)N[C@H](C)C(=O)N(C)OC ZINC000877112191 590287235 /nfs/dbraw/zinc/28/72/35/590287235.db2.gz RKFTYILZLYDLJD-NKWVEPMBSA-N 0 3 217.269 -0.881 20 0 BBADHN CC[C@@H](NC)C(=O)N[C@H](C)C(=O)N(C)OC ZINC000877112539 590287413 /nfs/dbraw/zinc/28/74/13/590287413.db2.gz UZOBVEWJDPPYTL-HTQZYQBOSA-N 0 3 231.296 -0.491 20 0 BBADHN CC[C@H](NC)C(=O)N[C@H](C)C(=O)N(C)OC ZINC000877112540 584890570 /nfs/dbraw/zinc/89/05/70/584890570.db2.gz UZOBVEWJDPPYTL-SFYZADRCSA-N 0 3 231.296 -0.491 20 0 BBADHN CCN[C@@H](C)C(=O)N1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000877113723 590287877 /nfs/dbraw/zinc/28/78/77/590287877.db2.gz 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ZINC000877951812 590454651 /nfs/dbraw/zinc/45/46/51/590454651.db2.gz QMWQUNUYJXNFEG-QMMMGPOBSA-N 0 3 213.281 -0.810 20 0 BBADHN CC(C)CN(CC(N)=O)C[C@@H](O)CC(C)(C)O ZINC000877957956 590457693 /nfs/dbraw/zinc/45/76/93/590457693.db2.gz OCSCITDKTHTUBF-JTQLQIEISA-N 0 3 246.351 -0.048 20 0 BBADHN CC(C)CN(CC(N)=O)C[C@H](O)CC(C)(C)O ZINC000877957957 590457928 /nfs/dbraw/zinc/45/79/28/590457928.db2.gz OCSCITDKTHTUBF-SNVBAGLBSA-N 0 3 246.351 -0.048 20 0 BBADHN Cn1nnnc1CCN1CCC(CO)CC1 ZINC000877960854 590458517 /nfs/dbraw/zinc/45/85/17/590458517.db2.gz DRMZOJFQMNTRHI-UHFFFAOYSA-N 0 3 225.296 -0.543 20 0 BBADHN Cn1nnnc1CCN(CCO)C1CC1 ZINC000877961211 590458290 /nfs/dbraw/zinc/45/82/90/590458290.db2.gz IGQBVJWCOAMVLM-UHFFFAOYSA-N 0 3 211.269 -0.791 20 0 BBADHN CC(C)(O)C[C@H](O)CN(CCO)C1CC1 ZINC000877962106 590459545 /nfs/dbraw/zinc/45/95/45/590459545.db2.gz YRASMUYIKQMPLI-JTQLQIEISA-N 0 3 217.309 -0.035 20 0 BBADHN CC(C)(O)C[C@@H](O)CN(CCO)C1CC1 ZINC000877962107 590459072 /nfs/dbraw/zinc/45/90/72/590459072.db2.gz YRASMUYIKQMPLI-SNVBAGLBSA-N 0 3 217.309 -0.035 20 0 BBADHN CCCN(CCO)CCc1nnnn1C ZINC000877964765 590460248 /nfs/dbraw/zinc/46/02/48/590460248.db2.gz STENZCUTNCEFJU-UHFFFAOYSA-N 0 3 213.285 -0.543 20 0 BBADHN Cn1nnnc1CCN1CCCC[C@@H]1CO ZINC000877965302 590460287 /nfs/dbraw/zinc/46/02/87/590460287.db2.gz ZDTNEXJVUVUZFA-SECBINFHSA-N 0 3 225.296 -0.401 20 0 BBADHN Cn1nnnc1CCN1CCCC[C@H]1CO ZINC000877965303 590460623 /nfs/dbraw/zinc/46/06/23/590460623.db2.gz ZDTNEXJVUVUZFA-VIFPVBQESA-N 0 3 225.296 -0.401 20 0 BBADHN NC(=O)CC1CCN(CCn2cnnn2)CC1 ZINC000877969114 590461175 /nfs/dbraw/zinc/46/11/75/590461175.db2.gz UKFPJNSPPGXMIN-UHFFFAOYSA-N 0 3 238.295 -0.740 20 0 BBADHN COC(=O)[C@H](C)CN(C)CCc1nnnn1C ZINC000877971550 590461862 /nfs/dbraw/zinc/46/18/62/590461862.db2.gz XMUCQCSWZMINQY-MRVPVSSYSA-N 0 3 241.295 -0.507 20 0 BBADHN COC(=O)[C@@H](C)CN(C)CCc1nnnn1C ZINC000877971552 590462551 /nfs/dbraw/zinc/46/25/51/590462551.db2.gz XMUCQCSWZMINQY-QMMMGPOBSA-N 0 3 241.295 -0.507 20 0 BBADHN CN(CCc1nnnn1C)C[C@H]1CCCO1 ZINC000877972379 590462445 /nfs/dbraw/zinc/46/24/45/590462445.db2.gz HKADYWOFVSUCHC-SECBINFHSA-N 0 3 225.296 -0.137 20 0 BBADHN CN(CCc1nnnn1C)C[C@@H]1CCCO1 ZINC000877972380 590462047 /nfs/dbraw/zinc/46/20/47/590462047.db2.gz HKADYWOFVSUCHC-VIFPVBQESA-N 0 3 225.296 -0.137 20 0 BBADHN CN(CCn1cnnn1)C[C@H]1CCCO1 ZINC000877973174 590462821 /nfs/dbraw/zinc/46/28/21/590462821.db2.gz VMEIPJZISBYWAF-SECBINFHSA-N 0 3 211.269 -0.216 20 0 BBADHN CN(CCn1cnnn1)C[C@@H]1CCCO1 ZINC000877973175 590463099 /nfs/dbraw/zinc/46/30/99/590463099.db2.gz VMEIPJZISBYWAF-VIFPVBQESA-N 0 3 211.269 -0.216 20 0 BBADHN c1nnnn1CCN1CCN(CC2CC2)CC1 ZINC000877974910 590463796 /nfs/dbraw/zinc/46/37/96/590463796.db2.gz DZSIYHCUMANDKW-UHFFFAOYSA-N 0 3 236.323 -0.299 20 0 BBADHN COC(=O)[C@@H]1CCN(CCc2nnnn2C)C1 ZINC000877974976 590464458 /nfs/dbraw/zinc/46/44/58/590464458.db2.gz GIIIATIVIRLLIR-MRVPVSSYSA-N 0 3 239.279 -0.753 20 0 BBADHN COC(=O)[C@H]1CCN(CCc2nnnn2C)C1 ZINC000877974977 590464054 /nfs/dbraw/zinc/46/40/54/590464054.db2.gz GIIIATIVIRLLIR-QMMMGPOBSA-N 0 3 239.279 -0.753 20 0 BBADHN COCCN(C)CC(=O)NC1CCN(C)CC1 ZINC000877983177 590465766 /nfs/dbraw/zinc/46/57/66/590465766.db2.gz LBXOOPMANZKHHN-UHFFFAOYSA-N 0 3 243.351 -0.225 20 0 BBADHN COCCCN(CCOC)CCn1cnnn1 ZINC000877986247 590465962 /nfs/dbraw/zinc/46/59/62/590465962.db2.gz HYILUHOROAGAQH-UHFFFAOYSA-N 0 3 243.311 -0.342 20 0 BBADHN CC(C)N(CCO)CCc1nnnn1C ZINC000877987315 590466925 /nfs/dbraw/zinc/46/69/25/590466925.db2.gz DPHUNGRLRRQWHC-UHFFFAOYSA-N 0 3 213.285 -0.545 20 0 BBADHN CCN(CCOC)CCc1nnnn1C ZINC000877993295 590468215 /nfs/dbraw/zinc/46/82/15/590468215.db2.gz HUTSVXKCSCGUGH-UHFFFAOYSA-N 0 3 213.285 -0.279 20 0 BBADHN Cn1nnnc1CCN(CCO)CC1CC1 ZINC000877996170 590468552 /nfs/dbraw/zinc/46/85/52/590468552.db2.gz NXYBRPQOMCFXPZ-UHFFFAOYSA-N 0 3 225.296 -0.543 20 0 BBADHN COCCCN(C)CCc1nnnn1C ZINC000877998275 590469016 /nfs/dbraw/zinc/46/90/16/590469016.db2.gz OBQRDHOILJHGGE-UHFFFAOYSA-N 0 3 213.285 -0.279 20 0 BBADHN Cn1nnnc1CCN1CCC[C@@H]1CO ZINC000877998940 590468591 /nfs/dbraw/zinc/46/85/91/590468591.db2.gz JYNBNCYNCFFZEM-MRVPVSSYSA-N 0 3 211.269 -0.791 20 0 BBADHN CCN(CCC(=O)OC)CCc1nnnn1C ZINC000878015410 590471792 /nfs/dbraw/zinc/47/17/92/590471792.db2.gz CWACIHBHYNQCFE-UHFFFAOYSA-N 0 3 241.295 -0.362 20 0 BBADHN CCN1CCC[C@@H]1CNC(=O)c1nnn(C)n1 ZINC000878021372 590472930 /nfs/dbraw/zinc/47/29/30/590472930.db2.gz FIFMWZMIBJNFIZ-MRVPVSSYSA-N 0 3 238.295 -0.576 20 0 BBADHN CCN1CCC[C@H]1CNC(=O)c1nnn(C)n1 ZINC000878021373 590472816 /nfs/dbraw/zinc/47/28/16/590472816.db2.gz FIFMWZMIBJNFIZ-QMMMGPOBSA-N 0 3 238.295 -0.576 20 0 BBADHN CCOC(=O)CCN(C)CCc1nnnn1C ZINC000878035733 590476930 /nfs/dbraw/zinc/47/69/30/590476930.db2.gz CLTWNNSVRSUTFT-UHFFFAOYSA-N 0 3 241.295 -0.362 20 0 BBADHN C[C@@H]1CN(CCc2nnnn2C)CCCO1 ZINC000878041204 590477972 /nfs/dbraw/zinc/47/79/72/590477972.db2.gz KZBABBIUXMHXCX-SECBINFHSA-N 0 3 225.296 -0.137 20 0 BBADHN C[C@H]1CN(CCc2nnnn2C)CCCO1 ZINC000878041205 590478538 /nfs/dbraw/zinc/47/85/38/590478538.db2.gz KZBABBIUXMHXCX-VIFPVBQESA-N 0 3 225.296 -0.137 20 0 BBADHN COCCN(CCO)C[C@@H](O)CC(C)(C)O ZINC000878041406 590477977 /nfs/dbraw/zinc/47/79/77/590477977.db2.gz UNDFLCYLJUCFPX-JTQLQIEISA-N 0 3 235.324 -0.551 20 0 BBADHN COCCN(CCO)C[C@H](O)CC(C)(C)O ZINC000878041412 590478588 /nfs/dbraw/zinc/47/85/88/590478588.db2.gz UNDFLCYLJUCFPX-SNVBAGLBSA-N 0 3 235.324 -0.551 20 0 BBADHN C[C@@H]1CN(CCn2cnnn2)CCCO1 ZINC000878041520 590478246 /nfs/dbraw/zinc/47/82/46/590478246.db2.gz NKYQSVGAMWKIIO-SECBINFHSA-N 0 3 211.269 -0.216 20 0 BBADHN C[C@H]1CN(CCn2cnnn2)CCCO1 ZINC000878041521 590478671 /nfs/dbraw/zinc/47/86/71/590478671.db2.gz NKYQSVGAMWKIIO-VIFPVBQESA-N 0 3 211.269 -0.216 20 0 BBADHN CNC(=O)CCN(C)C[C@H](O)CC(C)(C)O ZINC000878044927 590480375 /nfs/dbraw/zinc/48/03/75/590480375.db2.gz FCWORXGOPPVLTI-SECBINFHSA-N 0 3 232.324 -0.424 20 0 BBADHN CNC(=O)CCN(C)C[C@@H](O)CC(C)(C)O ZINC000878044928 590480341 /nfs/dbraw/zinc/48/03/41/590480341.db2.gz FCWORXGOPPVLTI-VIFPVBQESA-N 0 3 232.324 -0.424 20 0 BBADHN CO[C@@H]1CCCN(CCn2cnnn2)C1 ZINC000878046538 590480021 /nfs/dbraw/zinc/48/00/21/590480021.db2.gz COYGSHVKCLUCAC-SECBINFHSA-N 0 3 211.269 -0.216 20 0 BBADHN CO[C@H]1CCCN(CCn2cnnn2)C1 ZINC000878046539 590479888 /nfs/dbraw/zinc/47/98/88/590479888.db2.gz COYGSHVKCLUCAC-VIFPVBQESA-N 0 3 211.269 -0.216 20 0 BBADHN CO[C@@H]1CCCN(CCc2nnnn2C)C1 ZINC000878047248 590481447 /nfs/dbraw/zinc/48/14/47/590481447.db2.gz PGLQICOQQPVCEU-SECBINFHSA-N 0 3 225.296 -0.137 20 0 BBADHN CO[C@H]1CCCN(CCc2nnnn2C)C1 ZINC000878047249 590481567 /nfs/dbraw/zinc/48/15/67/590481567.db2.gz PGLQICOQQPVCEU-VIFPVBQESA-N 0 3 225.296 -0.137 20 0 BBADHN CC(C)[C@@H](O)CCN(CCO)CCO ZINC000878048752 590481049 /nfs/dbraw/zinc/48/10/49/590481049.db2.gz BFKUYUQDMHZMAJ-JTQLQIEISA-N 0 3 205.298 -0.320 20 0 BBADHN CC(C)[C@H](O)CCN(CCO)CCO ZINC000878048753 590481018 /nfs/dbraw/zinc/48/10/18/590481018.db2.gz BFKUYUQDMHZMAJ-SNVBAGLBSA-N 0 3 205.298 -0.320 20 0 BBADHN CCN(CCO)CC(=O)NC1CCN(C)CC1 ZINC000878050455 590482372 /nfs/dbraw/zinc/48/23/72/590482372.db2.gz WSVMCPVZHQAWNF-UHFFFAOYSA-N 0 3 243.351 -0.489 20 0 BBADHN CCCCN(CCO)CCc1nnnn1C ZINC000878050508 590482467 /nfs/dbraw/zinc/48/24/67/590482467.db2.gz XXPXFTANJMORCT-UHFFFAOYSA-N 0 3 227.312 -0.153 20 0 BBADHN CCN(CCO)C[C@H](O)CC(C)(C)O ZINC000878050671 590482077 /nfs/dbraw/zinc/48/20/77/590482077.db2.gz YRZPMYKJRVQKOX-SECBINFHSA-N 0 3 205.298 -0.178 20 0 BBADHN CCN(CCO)C[C@@H](O)CC(C)(C)O ZINC000878050672 590482139 /nfs/dbraw/zinc/48/21/39/590482139.db2.gz YRZPMYKJRVQKOX-VIFPVBQESA-N 0 3 205.298 -0.178 20 0 BBADHN OCCN(CCO)C[C@H](O)CC1(O)CCCC1 ZINC000878050680 590482241 /nfs/dbraw/zinc/48/22/41/590482241.db2.gz YTQRUSOZKJPGJR-LLVKDONJSA-N 0 3 247.335 -0.671 20 0 BBADHN OCCN(CCO)C[C@@H](O)CC1(O)CCCC1 ZINC000878050681 590482556 /nfs/dbraw/zinc/48/25/56/590482556.db2.gz YTQRUSOZKJPGJR-NSHDSACASA-N 0 3 247.335 -0.671 20 0 BBADHN C[C@@H]1CC[C@H](C(N)=O)CN1CCn1cnnn1 ZINC000878051329 590482719 /nfs/dbraw/zinc/48/27/19/590482719.db2.gz CGKYSJVPXVWURW-BDAKNGLRSA-N 0 3 238.295 -0.741 20 0 BBADHN C[C@H]1CC[C@@H](C(N)=O)CN1CCn1cnnn1 ZINC000878051331 590482112 /nfs/dbraw/zinc/48/21/12/590482112.db2.gz CGKYSJVPXVWURW-DTWKUNHWSA-N 0 3 238.295 -0.741 20 0 BBADHN C[C@H]1CC[C@H](C(N)=O)CN1CCn1cnnn1 ZINC000878051332 590482339 /nfs/dbraw/zinc/48/23/39/590482339.db2.gz CGKYSJVPXVWURW-IUCAKERBSA-N 0 3 238.295 -0.741 20 0 BBADHN C[C@@H]1CC[C@@H](C(N)=O)CN1CCn1cnnn1 ZINC000878051333 590482405 /nfs/dbraw/zinc/48/24/05/590482405.db2.gz CGKYSJVPXVWURW-RKDXNWHRSA-N 0 3 238.295 -0.741 20 0 BBADHN NC(=O)C[C@H]1CCCCN1CCn1cnnn1 ZINC000878051979 590483741 /nfs/dbraw/zinc/48/37/41/590483741.db2.gz IQIUHIJSHDVRJS-SECBINFHSA-N 0 3 238.295 -0.597 20 0 BBADHN NC(=O)C[C@@H]1CCCCN1CCn1cnnn1 ZINC000878051982 590483487 /nfs/dbraw/zinc/48/34/87/590483487.db2.gz IQIUHIJSHDVRJS-VIFPVBQESA-N 0 3 238.295 -0.597 20 0 BBADHN Cn1nnnc1CCN1CCCC[C@H]1CCO ZINC000878052112 590483559 /nfs/dbraw/zinc/48/35/59/590483559.db2.gz JKOJDVCTBGUWJL-JTQLQIEISA-N 0 3 239.323 -0.011 20 0 BBADHN Cn1nnnc1CCN1CCCC[C@@H]1CCO ZINC000878052114 590483733 /nfs/dbraw/zinc/48/37/33/590483733.db2.gz JKOJDVCTBGUWJL-SNVBAGLBSA-N 0 3 239.323 -0.011 20 0 BBADHN CC(C)(O)C[C@@H](O)CN1CC[C@H](O)C1 ZINC000878053752 590483567 /nfs/dbraw/zinc/48/35/67/590483567.db2.gz ODUQIPSCNITQNT-DTWKUNHWSA-N 0 3 203.282 -0.425 20 0 BBADHN CC(C)(O)C[C@H](O)CN1CC[C@H](O)C1 ZINC000878053753 590483618 /nfs/dbraw/zinc/48/36/18/590483618.db2.gz ODUQIPSCNITQNT-IUCAKERBSA-N 0 3 203.282 -0.425 20 0 BBADHN Cn1nnnc1CCN1CCC[C@H]1CO ZINC000878054693 590483682 /nfs/dbraw/zinc/48/36/82/590483682.db2.gz JYNBNCYNCFFZEM-QMMMGPOBSA-N 0 3 211.269 -0.791 20 0 BBADHN Cn1nnnc1CCN1CCC[C@@H](CCO)C1 ZINC000878058404 590484955 /nfs/dbraw/zinc/48/49/55/590484955.db2.gz XSSXFGHRTXZVMT-JTQLQIEISA-N 0 3 239.323 -0.153 20 0 BBADHN Cn1nnnc1CCN1CCC[C@H](CCO)C1 ZINC000878058405 590484610 /nfs/dbraw/zinc/48/46/10/590484610.db2.gz XSSXFGHRTXZVMT-SNVBAGLBSA-N 0 3 239.323 -0.153 20 0 BBADHN Cn1nnnc1CCN1CCC(CCO)CC1 ZINC000878082776 590488669 /nfs/dbraw/zinc/48/86/69/590488669.db2.gz ZNMVIJLFMJKEKD-UHFFFAOYSA-N 0 3 239.323 -0.153 20 0 BBADHN C[C@@H](O)[C@H]1CCCCN1CCc1nnnn1C ZINC000878083028 590488640 /nfs/dbraw/zinc/48/86/40/590488640.db2.gz LPNDAANSTUTEQC-NXEZZACHSA-N 0 3 239.323 -0.012 20 0 BBADHN C[C@H](O)[C@@H]1CCCCN1CCc1nnnn1C ZINC000878083029 590488658 /nfs/dbraw/zinc/48/86/58/590488658.db2.gz LPNDAANSTUTEQC-UWVGGRQHSA-N 0 3 239.323 -0.012 20 0 BBADHN C[C@H](O)[C@H]1CCCCN1CCc1nnnn1C ZINC000878083030 590488769 /nfs/dbraw/zinc/48/87/69/590488769.db2.gz LPNDAANSTUTEQC-VHSXEESVSA-N 0 3 239.323 -0.012 20 0 BBADHN C[C@@H](O)[C@@H]1CCCCN1CCc1nnnn1C ZINC000878083031 590488648 /nfs/dbraw/zinc/48/86/48/590488648.db2.gz LPNDAANSTUTEQC-ZJUUUORDSA-N 0 3 239.323 -0.012 20 0 BBADHN CN(CCc1nnnn1C)[C@@H]1CCOC1 ZINC000878084664 590490244 /nfs/dbraw/zinc/49/02/44/590490244.db2.gz XUJYSLJILRUISR-MRVPVSSYSA-N 0 3 211.269 -0.527 20 0 BBADHN CN(CCc1nnnn1C)[C@H]1CCOC1 ZINC000878084665 590489239 /nfs/dbraw/zinc/48/92/39/590489239.db2.gz XUJYSLJILRUISR-QMMMGPOBSA-N 0 3 211.269 -0.527 20 0 BBADHN CNC(=O)[C@@H]1CCCN(CCn2cnnn2)C1 ZINC000878094496 590491913 /nfs/dbraw/zinc/49/19/13/590491913.db2.gz PVPRMHILWKPGPA-SECBINFHSA-N 0 3 238.295 -0.869 20 0 BBADHN CNC(=O)[C@H]1CCCN(CCn2cnnn2)C1 ZINC000878094497 590491354 /nfs/dbraw/zinc/49/13/54/590491354.db2.gz PVPRMHILWKPGPA-VIFPVBQESA-N 0 3 238.295 -0.869 20 0 BBADHN CC(C)(O)C[C@H](O)CN(CCO)CCCO ZINC000878095532 590491287 /nfs/dbraw/zinc/49/12/87/590491287.db2.gz ZTTPICOQKHWUKS-JTQLQIEISA-N 0 3 235.324 -0.815 20 0 BBADHN CC(C)(O)C[C@@H](O)CN(CCO)CCCO ZINC000878095533 590491299 /nfs/dbraw/zinc/49/12/99/590491299.db2.gz ZTTPICOQKHWUKS-SNVBAGLBSA-N 0 3 235.324 -0.815 20 0 BBADHN CN(CCn1cccn1)CCn1cnnn1 ZINC000878095739 590491090 /nfs/dbraw/zinc/49/10/90/590491090.db2.gz CIGFIVCEMZGCQM-UHFFFAOYSA-N 0 3 221.268 -0.498 20 0 BBADHN CN(CCc1nnnn1C)CCn1cccn1 ZINC000878095932 590492629 /nfs/dbraw/zinc/49/26/29/590492629.db2.gz JLJFCUIOOJXPQA-UHFFFAOYSA-N 0 3 235.295 -0.419 20 0 BBADHN C[C@@H](O)C1CCN(CCc2nnnn2C)CC1 ZINC000878096344 590493169 /nfs/dbraw/zinc/49/31/69/590493169.db2.gz POWUTJMQOLMDJL-SECBINFHSA-N 0 3 239.323 -0.155 20 0 BBADHN C[C@H](O)C1CCN(CCc2nnnn2C)CC1 ZINC000878096345 590492728 /nfs/dbraw/zinc/49/27/28/590492728.db2.gz POWUTJMQOLMDJL-VIFPVBQESA-N 0 3 239.323 -0.155 20 0 BBADHN CN(CCn1cnnn1)[C@@H]1CCN(C2CC2)C1 ZINC000878099090 590493437 /nfs/dbraw/zinc/49/34/37/590493437.db2.gz RMVVYZRNVVDJTP-LLVKDONJSA-N 0 3 236.323 -0.158 20 0 BBADHN CN(CCn1cnnn1)[C@H]1CCN(C2CC2)C1 ZINC000878099091 590493477 /nfs/dbraw/zinc/49/34/77/590493477.db2.gz RMVVYZRNVVDJTP-NSHDSACASA-N 0 3 236.323 -0.158 20 0 BBADHN COC(=O)CCN(CCn1cnnn1)C(C)C ZINC000878102688 590493864 /nfs/dbraw/zinc/49/38/64/590493864.db2.gz DMZFTWFKIQVKJV-UHFFFAOYSA-N 0 3 241.295 -0.053 20 0 BBADHN c1nnnn1CCN1CCN(C2CCC2)CC1 ZINC000878105205 590495368 /nfs/dbraw/zinc/49/53/68/590495368.db2.gz XZZQGYPBLYSSLP-UHFFFAOYSA-N 0 3 236.323 -0.157 20 0 BBADHN CN(CCc1nnnn1C)CC(C)(C)O ZINC000878107536 590496532 /nfs/dbraw/zinc/49/65/32/590496532.db2.gz ACYGPFDPGWDXMQ-UHFFFAOYSA-N 0 3 213.285 -0.545 20 0 BBADHN OCCO[C@H]1CCCN(CCn2cnnn2)C1 ZINC000878109777 590496065 /nfs/dbraw/zinc/49/60/65/590496065.db2.gz VWQAOJLBYBZNEP-JTQLQIEISA-N 0 3 241.295 -0.854 20 0 BBADHN OCCO[C@@H]1CCCN(CCn2cnnn2)C1 ZINC000878109778 590495613 /nfs/dbraw/zinc/49/56/13/590495613.db2.gz VWQAOJLBYBZNEP-SNVBAGLBSA-N 0 3 241.295 -0.854 20 0 BBADHN Cn1nnnc1CCN(CCCO)C1CC1 ZINC000878113394 590497453 /nfs/dbraw/zinc/49/74/53/590497453.db2.gz ARQUQKVASNELDM-UHFFFAOYSA-N 0 3 225.296 -0.401 20 0 BBADHN COC[C@@H]1CCN(CCc2nnnn2C)C1 ZINC000878122911 590500150 /nfs/dbraw/zinc/50/01/50/590500150.db2.gz LWHZIJDRGINGIS-SECBINFHSA-N 0 3 225.296 -0.279 20 0 BBADHN COC[C@H]1CCN(CCc2nnnn2C)C1 ZINC000878122912 590500299 /nfs/dbraw/zinc/50/02/99/590500299.db2.gz LWHZIJDRGINGIS-VIFPVBQESA-N 0 3 225.296 -0.279 20 0 BBADHN COC[C@@H]1CCN(CCn2cnnn2)C1 ZINC000878123110 590500541 /nfs/dbraw/zinc/50/05/41/590500541.db2.gz RASQJXYILDUZRC-SECBINFHSA-N 0 3 211.269 -0.359 20 0 BBADHN COC[C@H]1CCN(CCn2cnnn2)C1 ZINC000878123111 590499952 /nfs/dbraw/zinc/49/99/52/590499952.db2.gz RASQJXYILDUZRC-VIFPVBQESA-N 0 3 211.269 -0.359 20 0 BBADHN Cn1nnnc1CCN(CCCCO)C1CC1 ZINC000878124429 590500521 /nfs/dbraw/zinc/50/05/21/590500521.db2.gz HXAJJZCASDDUMJ-UHFFFAOYSA-N 0 3 239.323 -0.011 20 0 BBADHN OCCCCN(CCn1cnnn1)C1CC1 ZINC000878125891 590501159 /nfs/dbraw/zinc/50/11/59/590501159.db2.gz TZXBRWBZMFZQTP-UHFFFAOYSA-N 0 3 225.296 -0.090 20 0 BBADHN C[C@@H](O)CN(C)C[C@@H](O)CC(C)(C)O ZINC000878130029 590502687 /nfs/dbraw/zinc/50/26/87/590502687.db2.gz UXJLFPCTZDIFIT-BDAKNGLRSA-N 0 3 205.298 -0.179 20 0 BBADHN C[C@H](O)CN(C)C[C@H](O)CC(C)(C)O ZINC000878130030 590502234 /nfs/dbraw/zinc/50/22/34/590502234.db2.gz UXJLFPCTZDIFIT-DTWKUNHWSA-N 0 3 205.298 -0.179 20 0 BBADHN C[C@H](O)CN(C)C[C@@H](O)CC(C)(C)O ZINC000878130031 590502612 /nfs/dbraw/zinc/50/26/12/590502612.db2.gz UXJLFPCTZDIFIT-IUCAKERBSA-N 0 3 205.298 -0.179 20 0 BBADHN C[C@@H](O)CN(C)C[C@H](O)CC(C)(C)O ZINC000878130032 590502730 /nfs/dbraw/zinc/50/27/30/590502730.db2.gz UXJLFPCTZDIFIT-RKDXNWHRSA-N 0 3 205.298 -0.179 20 0 BBADHN C[C@H](O)CN(C)CC(=O)NC1CCN(C)CC1 ZINC000878130106 590502283 /nfs/dbraw/zinc/50/22/83/590502283.db2.gz QKCBOAIQERYNHY-JTQLQIEISA-N 0 3 243.351 -0.491 20 0 BBADHN C[C@@H](O)CN(C)CC(=O)NC1CCN(C)CC1 ZINC000878130107 590502642 /nfs/dbraw/zinc/50/26/42/590502642.db2.gz QKCBOAIQERYNHY-SNVBAGLBSA-N 0 3 243.351 -0.491 20 0 BBADHN C[C@@H](O)CCN(C)CCc1nnnn1C ZINC000878134913 590505115 /nfs/dbraw/zinc/50/51/15/590505115.db2.gz URCWROSNJSRFMO-MRVPVSSYSA-N 0 3 213.285 -0.545 20 0 BBADHN C[C@H](O)CCN(C)CCc1nnnn1C ZINC000878134914 590504313 /nfs/dbraw/zinc/50/43/13/590504313.db2.gz URCWROSNJSRFMO-QMMMGPOBSA-N 0 3 213.285 -0.545 20 0 BBADHN CCC1(O)CCN(CCc2nnnn2C)CC1 ZINC000878136058 590505190 /nfs/dbraw/zinc/50/51/90/590505190.db2.gz QWZMBOAFAZGXPN-UHFFFAOYSA-N 0 3 239.323 -0.011 20 0 BBADHN CCN(CCCO)CCc1nnnn1C ZINC000878151955 590508185 /nfs/dbraw/zinc/50/81/85/590508185.db2.gz SEXFMKTXRQQXAU-UHFFFAOYSA-N 0 3 213.285 -0.543 20 0 BBADHN CC(C)[C@@H](O)CCN1C[C@H](O)C[C@H](O)C1 ZINC000878156015 590509537 /nfs/dbraw/zinc/50/95/37/590509537.db2.gz MXTGTKKBZGIYJF-AXFHLTTASA-N 0 3 217.309 -0.179 20 0 BBADHN CC(C)[C@H](O)CCN1C[C@H](O)C[C@H](O)C1 ZINC000878156016 590509031 /nfs/dbraw/zinc/50/90/31/590509031.db2.gz MXTGTKKBZGIYJF-OUAUKWLOSA-N 0 3 217.309 -0.179 20 0 BBADHN NC(=O)C[C@H]1CCCN(CCn2cnnn2)C1 ZINC000878158252 590508918 /nfs/dbraw/zinc/50/89/18/590508918.db2.gz CQOXGLHTYKITEF-SECBINFHSA-N 0 3 238.295 -0.740 20 0 BBADHN NC(=O)C[C@@H]1CCCN(CCn2cnnn2)C1 ZINC000878158253 590508606 /nfs/dbraw/zinc/50/86/06/590508606.db2.gz CQOXGLHTYKITEF-VIFPVBQESA-N 0 3 238.295 -0.740 20 0 BBADHN O[C@H](CN1C[C@@H](O)[C@@H](O)C1)CC1(O)CCCC1 ZINC000878160011 590510581 /nfs/dbraw/zinc/51/05/81/590510581.db2.gz CTNOQBPITDNVLO-GARJFASQSA-N 0 3 245.319 -0.920 20 0 BBADHN O[C@@H](CN1C[C@@H](O)[C@@H](O)C1)CC1(O)CCCC1 ZINC000878160012 590510192 /nfs/dbraw/zinc/51/01/92/590510192.db2.gz CTNOQBPITDNVLO-MXWKQRLJSA-N 0 3 245.319 -0.920 20 0 BBADHN CC(C)[C@H](O)CCN1C[C@@H](O)[C@@H](O)C1 ZINC000878160061 590509809 /nfs/dbraw/zinc/50/98/09/590509809.db2.gz DURXASOWVSDEGJ-BBBLOLIVSA-N 0 3 203.282 -0.569 20 0 BBADHN CC(C)[C@@H](O)CCN1C[C@@H](O)[C@@H](O)C1 ZINC000878160062 590510562 /nfs/dbraw/zinc/51/05/62/590510562.db2.gz DURXASOWVSDEGJ-LPEHRKFASA-N 0 3 203.282 -0.569 20 0 BBADHN O[C@@H]1CN(C[C@@H]2CC3(CCC3)CO2)C[C@@H]1O ZINC000878160147 590510902 /nfs/dbraw/zinc/51/09/02/590510902.db2.gz HIAQOWAGDJFZJH-GARJFASQSA-N 0 3 227.304 -0.017 20 0 BBADHN O[C@@H]1CN(C[C@H]2CC3(CCC3)CO2)C[C@@H]1O ZINC000878160148 590510862 /nfs/dbraw/zinc/51/08/62/590510862.db2.gz HIAQOWAGDJFZJH-MXWKQRLJSA-N 0 3 227.304 -0.017 20 0 BBADHN CNC(=O)[C@H](C)CN(C)CCc1nnnn1C ZINC000878163656 590511349 /nfs/dbraw/zinc/51/13/49/590511349.db2.gz ZZUKLESGSAPDLT-MRVPVSSYSA-N 0 3 240.311 -0.934 20 0 BBADHN CNC(=O)[C@@H](C)CN(C)CCc1nnnn1C ZINC000878163657 590511094 /nfs/dbraw/zinc/51/10/94/590511094.db2.gz ZZUKLESGSAPDLT-QMMMGPOBSA-N 0 3 240.311 -0.934 20 0 BBADHN O=C1C[C@H]2CC[C@@H](CN1)N2CCn1cnnn1 ZINC000878163792 590511329 /nfs/dbraw/zinc/51/13/29/590511329.db2.gz WMXXVGSPNGVOLF-BDAKNGLRSA-N 0 3 236.279 -0.974 20 0 BBADHN Cn1nnnc1CCN1CC[C@@](C)(O)C1 ZINC000878165955 590513120 /nfs/dbraw/zinc/51/31/20/590513120.db2.gz IKKWFXDMPNYLBS-SECBINFHSA-N 0 3 211.269 -0.791 20 0 BBADHN Cn1nnnc1CCN1CC[C@](C)(O)C1 ZINC000878165956 590512643 /nfs/dbraw/zinc/51/26/43/590512643.db2.gz IKKWFXDMPNYLBS-VIFPVBQESA-N 0 3 211.269 -0.791 20 0 BBADHN CO[C@@H]1CCN(CCc2nnnn2C)C1 ZINC000878166298 590513024 /nfs/dbraw/zinc/51/30/24/590513024.db2.gz QNCKCFQNYCFBHW-MRVPVSSYSA-N 0 3 211.269 -0.527 20 0 BBADHN CN(CCc1nnnn1C)C[C@@H](O)C1CC1 ZINC000878175588 590516595 /nfs/dbraw/zinc/51/65/95/590516595.db2.gz XCOPSRBWOWYKDE-SECBINFHSA-N 0 3 225.296 -0.545 20 0 BBADHN CN(CCc1nnnn1C)C[C@H](O)C1CC1 ZINC000878175589 590516112 /nfs/dbraw/zinc/51/61/12/590516112.db2.gz XCOPSRBWOWYKDE-VIFPVBQESA-N 0 3 225.296 -0.545 20 0 BBADHN c1nnc(C2CCN(CCn3cnnn3)CC2)[nH]1 ZINC000878176036 590516248 /nfs/dbraw/zinc/51/62/48/590516248.db2.gz BJMQMEUPIGTQTN-UHFFFAOYSA-N 0 3 248.294 -0.329 20 0 BBADHN COC[C@@](C)(CCO)NCCn1cnnn1 ZINC000878180954 590517477 /nfs/dbraw/zinc/51/74/77/590517477.db2.gz JQAAORJYEJWIHZ-SECBINFHSA-N 0 3 229.284 -0.950 20 0 BBADHN COC[C@](C)(CCO)NCCn1cnnn1 ZINC000878180971 590517206 /nfs/dbraw/zinc/51/72/06/590517206.db2.gz JQAAORJYEJWIHZ-VIFPVBQESA-N 0 3 229.284 -0.950 20 0 BBADHN COC[C@@](C)(CCO)NC[C@@H](O)CC(C)(C)O ZINC000878182224 590518062 /nfs/dbraw/zinc/51/80/62/590518062.db2.gz DAMGJGVEJJRJSJ-CMPLNLGQSA-N 0 3 249.351 -0.115 20 0 BBADHN COC[C@](C)(CCO)NC[C@@H](O)CC(C)(C)O ZINC000878182225 590517640 /nfs/dbraw/zinc/51/76/40/590517640.db2.gz DAMGJGVEJJRJSJ-JQWIXIFHSA-N 0 3 249.351 -0.115 20 0 BBADHN COC[C@](C)(CCO)NC[C@H](O)CC(C)(C)O ZINC000878182226 590515936 /nfs/dbraw/zinc/51/59/36/590515936.db2.gz DAMGJGVEJJRJSJ-PWSUYJOCSA-N 0 3 249.351 -0.115 20 0 BBADHN COC[C@@](C)(CCO)NC[C@H](O)CC(C)(C)O ZINC000878182227 590516117 /nfs/dbraw/zinc/51/61/17/590516117.db2.gz DAMGJGVEJJRJSJ-ZYHUDNBSSA-N 0 3 249.351 -0.115 20 0 BBADHN c1nnnn1CCN1CC[C@]2(CCOC2)C1 ZINC000878185518 590518928 /nfs/dbraw/zinc/51/89/28/590518928.db2.gz JLBTXTTZKJUAJJ-JTQLQIEISA-N 0 3 223.280 -0.215 20 0 BBADHN c1nnnn1CCN1CC[C@@]2(CCOC2)C1 ZINC000878185519 590519070 /nfs/dbraw/zinc/51/90/70/590519070.db2.gz JLBTXTTZKJUAJJ-SNVBAGLBSA-N 0 3 223.280 -0.215 20 0 BBADHN Cn1nnnc1CCN1CC[C@@]2(CCOC2)C1 ZINC000878186676 590519591 /nfs/dbraw/zinc/51/95/91/590519591.db2.gz RYPYTBMSEHGKOJ-LLVKDONJSA-N 0 3 237.307 -0.135 20 0 BBADHN Cn1nnnc1CCN1CC[C@]2(CCOC2)C1 ZINC000878186677 590519876 /nfs/dbraw/zinc/51/98/76/590519876.db2.gz RYPYTBMSEHGKOJ-NSHDSACASA-N 0 3 237.307 -0.135 20 0 BBADHN COC(=O)[C@@]1(C)CCN(CCn2cnnn2)C1 ZINC000878189865 590520626 /nfs/dbraw/zinc/52/06/26/590520626.db2.gz CLBGDGFFONKVMF-JTQLQIEISA-N 0 3 239.279 -0.442 20 0 BBADHN COC(=O)[C@]1(C)CCN(CCn2cnnn2)C1 ZINC000878189866 590520357 /nfs/dbraw/zinc/52/03/57/590520357.db2.gz CLBGDGFFONKVMF-SNVBAGLBSA-N 0 3 239.279 -0.442 20 0 BBADHN Cn1nnnc1CCN1CCC(C)(O)CC1 ZINC000878191443 590520339 /nfs/dbraw/zinc/52/03/39/590520339.db2.gz XTZBFOGXZJLMEM-UHFFFAOYSA-N 0 3 225.296 -0.401 20 0 BBADHN C[C@H](CNC(=O)C[C@@H]1CCNC1=O)N(C)C ZINC000878197376 590522805 /nfs/dbraw/zinc/52/28/05/590522805.db2.gz HBLVCFZZUOOSBV-BDAKNGLRSA-N 0 3 227.308 -0.421 20 0 BBADHN C[C@@H](CNC(=O)C[C@H]1CCNC1=O)N(C)C ZINC000878197382 590522810 /nfs/dbraw/zinc/52/28/10/590522810.db2.gz HBLVCFZZUOOSBV-DTWKUNHWSA-N 0 3 227.308 -0.421 20 0 BBADHN C[C@@H](CNC(=O)C[C@@H]1CCNC1=O)N(C)C ZINC000878197384 590522476 /nfs/dbraw/zinc/52/24/76/590522476.db2.gz HBLVCFZZUOOSBV-IUCAKERBSA-N 0 3 227.308 -0.421 20 0 BBADHN C[C@H](CNC(=O)C[C@H]1CCNC1=O)N(C)C ZINC000878197385 583367442 /nfs/dbraw/zinc/36/74/42/583367442.db2.gz HBLVCFZZUOOSBV-RKDXNWHRSA-N 0 3 227.308 -0.421 20 0 BBADHN CN(C[C@@H](O)CC(C)(C)O)CC(C)(CO)CO ZINC000878201797 590524485 /nfs/dbraw/zinc/52/44/85/590524485.db2.gz FVZODXQIKBTOEN-JTQLQIEISA-N 0 3 249.351 -0.569 20 0 BBADHN CN(C[C@H](O)CC(C)(C)O)CC(C)(CO)CO ZINC000878201798 590523809 /nfs/dbraw/zinc/52/38/09/590523809.db2.gz FVZODXQIKBTOEN-SNVBAGLBSA-N 0 3 249.351 -0.569 20 0 BBADHN C[C@H](CNC(=O)c1nnn(C)n1)N1CCCC1 ZINC000878203350 590523944 /nfs/dbraw/zinc/52/39/44/590523944.db2.gz MBPBXBBXPLQPTE-MRVPVSSYSA-N 0 3 238.295 -0.576 20 0 BBADHN C[C@@H](CNC(=O)c1nnn(C)n1)N1CCCC1 ZINC000878203351 590524365 /nfs/dbraw/zinc/52/43/65/590524365.db2.gz MBPBXBBXPLQPTE-QMMMGPOBSA-N 0 3 238.295 -0.576 20 0 BBADHN CNC(=O)C1(NCCn2cnnn2)CCCC1 ZINC000878249815 590529245 /nfs/dbraw/zinc/52/92/45/590529245.db2.gz SQBZETXFLVERLR-UHFFFAOYSA-N 0 3 238.295 -0.679 20 0 BBADHN NC(=O)C1(NCCn2cnnn2)CCCC1 ZINC000878256625 590530848 /nfs/dbraw/zinc/53/08/48/590530848.db2.gz WGEBNJNVJKAABQ-UHFFFAOYSA-N 0 3 224.268 -0.939 20 0 BBADHN Cn1nnnc1CCNC1(C(N)=O)CCCC1 ZINC000878256759 590530714 /nfs/dbraw/zinc/53/07/14/590530714.db2.gz XIICYBBSODIPOU-UHFFFAOYSA-N 0 3 238.295 -0.860 20 0 BBADHN CC(C)(C)[C@H](NC[C@@H](O)CC(C)(C)O)C(N)=O ZINC000878261254 590530446 /nfs/dbraw/zinc/53/04/46/590530446.db2.gz JFJDXJYIKMYFKJ-DTWKUNHWSA-N 0 3 246.351 -0.002 20 0 BBADHN CC(C)(C)[C@H](NC[C@H](O)CC(C)(C)O)C(N)=O ZINC000878261255 590530470 /nfs/dbraw/zinc/53/04/70/590530470.db2.gz JFJDXJYIKMYFKJ-RKDXNWHRSA-N 0 3 246.351 -0.002 20 0 BBADHN CC(C)(C)[C@H](NCCn1cnnn1)C(N)=O ZINC000878261264 590530673 /nfs/dbraw/zinc/53/06/73/590530673.db2.gz JLUNZWXLZABLNM-SSDOTTSWSA-N 0 3 226.284 -0.837 20 0 BBADHN Cn1nnnc1CCN[C@H](C(N)=O)C(C)(C)C ZINC000878261474 590530832 /nfs/dbraw/zinc/53/08/32/590530832.db2.gz MEXVITZZOTUFLZ-MRVPVSSYSA-N 0 3 240.311 -0.758 20 0 BBADHN NC(=O)C1(NCCn2cnnn2)CCCCC1 ZINC000878266381 590531935 /nfs/dbraw/zinc/53/19/35/590531935.db2.gz YEXCSTLOAYWYPE-UHFFFAOYSA-N 0 3 238.295 -0.549 20 0 BBADHN COC(=O)C[C@H]1CCCN1CCn1cnnn1 ZINC000878286075 590534766 /nfs/dbraw/zinc/53/47/66/590534766.db2.gz FEVQKPGRIZJWJQ-SECBINFHSA-N 0 3 239.279 -0.299 20 0 BBADHN COC(=O)C[C@@H]1CCCN1CCn1cnnn1 ZINC000878286076 590533993 /nfs/dbraw/zinc/53/39/93/590533993.db2.gz FEVQKPGRIZJWJQ-VIFPVBQESA-N 0 3 239.279 -0.299 20 0 BBADHN C[C@@H]1COCCCN1CCn1cnnn1 ZINC000878286241 590534375 /nfs/dbraw/zinc/53/43/75/590534375.db2.gz LZVASYNNPLGROR-SECBINFHSA-N 0 3 211.269 -0.216 20 0 BBADHN C[C@H]1COCCCN1CCn1cnnn1 ZINC000878286242 590534425 /nfs/dbraw/zinc/53/44/25/590534425.db2.gz LZVASYNNPLGROR-VIFPVBQESA-N 0 3 211.269 -0.216 20 0 BBADHN C[C@@H]1COCCCN1CCc1nnnn1C ZINC000878286892 590534167 /nfs/dbraw/zinc/53/41/67/590534167.db2.gz UXEFTJVCNYQSBS-SECBINFHSA-N 0 3 225.296 -0.137 20 0 BBADHN C[C@H]1COCCCN1CCc1nnnn1C ZINC000878286893 590534214 /nfs/dbraw/zinc/53/42/14/590534214.db2.gz UXEFTJVCNYQSBS-VIFPVBQESA-N 0 3 225.296 -0.137 20 0 BBADHN C[C@@H](O)[C@@H]1CCCN(CCc2nnnn2C)C1 ZINC000878289282 590534477 /nfs/dbraw/zinc/53/44/77/590534477.db2.gz VYLOXWUXBVRNJX-NXEZZACHSA-N 0 3 239.323 -0.155 20 0 BBADHN C[C@H](O)[C@H]1CCCN(CCc2nnnn2C)C1 ZINC000878289283 590534297 /nfs/dbraw/zinc/53/42/97/590534297.db2.gz VYLOXWUXBVRNJX-UWVGGRQHSA-N 0 3 239.323 -0.155 20 0 BBADHN C[C@H](O)[C@@H]1CCCN(CCc2nnnn2C)C1 ZINC000878289284 590534194 /nfs/dbraw/zinc/53/41/94/590534194.db2.gz VYLOXWUXBVRNJX-VHSXEESVSA-N 0 3 239.323 -0.155 20 0 BBADHN C[C@@H](O)[C@H]1CCCN(CCc2nnnn2C)C1 ZINC000878289285 590534433 /nfs/dbraw/zinc/53/44/33/590534433.db2.gz VYLOXWUXBVRNJX-ZJUUUORDSA-N 0 3 239.323 -0.155 20 0 BBADHN c1n[nH]c2c1CCN(CCn1cnnn1)C2 ZINC000878292144 590535706 /nfs/dbraw/zinc/53/57/06/590535706.db2.gz VWAALCYKMCTOFO-UHFFFAOYSA-N 0 3 219.252 -0.546 20 0 BBADHN CN(CCc1nnnn1C)CC1(O)CCCC1 ZINC000878294193 590535633 /nfs/dbraw/zinc/53/56/33/590535633.db2.gz CPGLNSBPWCBSEO-UHFFFAOYSA-N 0 3 239.323 -0.011 20 0 BBADHN CC(=O)OC1CCN(CCn2cnnn2)CC1 ZINC000878294725 590536758 /nfs/dbraw/zinc/53/67/58/590536758.db2.gz GHNSTCFVQLBNSW-UHFFFAOYSA-N 0 3 239.279 -0.299 20 0 BBADHN CNC(=O)CCCN(C)CCc1nnnn1C ZINC000878296534 590536540 /nfs/dbraw/zinc/53/65/40/590536540.db2.gz IFJXCMIUJOAHRI-UHFFFAOYSA-N 0 3 240.311 -0.789 20 0 BBADHN CNC(=O)CCCN(C)CCn1cnnn1 ZINC000878297046 590536582 /nfs/dbraw/zinc/53/65/82/590536582.db2.gz TXMVNKSEBTURKT-UHFFFAOYSA-N 0 3 226.284 -0.869 20 0 BBADHN C[C@H](CO)N(C)CC(=O)NC1CCN(C)CC1 ZINC000878297590 590536299 /nfs/dbraw/zinc/53/62/99/590536299.db2.gz KQWKWPIBZHVYEO-SNVBAGLBSA-N 0 3 243.351 -0.491 20 0 BBADHN CCN1CCN(CCc2nnnn2C)C[C@@H]1C ZINC000878297813 590536822 /nfs/dbraw/zinc/53/68/22/590536822.db2.gz AMLOSUGOVCULFQ-JTQLQIEISA-N 0 3 238.339 -0.221 20 0 BBADHN CCN1CCN(CCc2nnnn2C)C[C@H]1C ZINC000878297815 590536625 /nfs/dbraw/zinc/53/66/25/590536625.db2.gz AMLOSUGOVCULFQ-SNVBAGLBSA-N 0 3 238.339 -0.221 20 0 BBADHN C[C@H]1COCCN(CCc2nnnn2C)C1 ZINC000878299176 590537734 /nfs/dbraw/zinc/53/77/34/590537734.db2.gz QAOUGODQEAKDOJ-SECBINFHSA-N 0 3 225.296 -0.279 20 0 BBADHN C[C@@H]1COCCN(CCc2nnnn2C)C1 ZINC000878299177 590537668 /nfs/dbraw/zinc/53/76/68/590537668.db2.gz QAOUGODQEAKDOJ-VIFPVBQESA-N 0 3 225.296 -0.279 20 0 BBADHN C[C@H]1COCCN(CCn2cnnn2)C1 ZINC000878299379 590537744 /nfs/dbraw/zinc/53/77/44/590537744.db2.gz SCCDNPNDRIWMTF-SECBINFHSA-N 0 3 211.269 -0.359 20 0 BBADHN C[C@@H]1COCCN(CCn2cnnn2)C1 ZINC000878299380 590537764 /nfs/dbraw/zinc/53/77/64/590537764.db2.gz SCCDNPNDRIWMTF-VIFPVBQESA-N 0 3 211.269 -0.359 20 0 BBADHN CCN1CCN(CCn2cnnn2)C[C@@H]1C ZINC000878299811 590537653 /nfs/dbraw/zinc/53/76/53/590537653.db2.gz YITCADXTFRLMID-JTQLQIEISA-N 0 3 224.312 -0.301 20 0 BBADHN CCN1CCN(CCn2cnnn2)C[C@H]1C ZINC000878299817 590537336 /nfs/dbraw/zinc/53/73/36/590537336.db2.gz YITCADXTFRLMID-SNVBAGLBSA-N 0 3 224.312 -0.301 20 0 BBADHN CO[C@H]1C[C@@H](CN2CC[C@H](S(N)(=O)=O)C2)C1 ZINC000878301064 590538826 /nfs/dbraw/zinc/53/88/26/590538826.db2.gz RMDALTMWEWSPJF-AEJSXWLSSA-N 0 3 248.348 -0.226 20 0 BBADHN CO[C@H]1C[C@@H](CN2CC[C@@H](S(N)(=O)=O)C2)C1 ZINC000878301065 590539031 /nfs/dbraw/zinc/53/90/31/590539031.db2.gz RMDALTMWEWSPJF-KXUCPTDWSA-N 0 3 248.348 -0.226 20 0 BBADHN CN(CCc1nnnn1C)C[C@H]1CCC[C@H]1O ZINC000878301258 590538543 /nfs/dbraw/zinc/53/85/43/590538543.db2.gz VEDYHMBCANCEGG-NXEZZACHSA-N 0 3 239.323 -0.155 20 0 BBADHN CN(CCc1nnnn1C)C[C@@H]1CCC[C@@H]1O ZINC000878301259 590538840 /nfs/dbraw/zinc/53/88/40/590538840.db2.gz VEDYHMBCANCEGG-UWVGGRQHSA-N 0 3 239.323 -0.155 20 0 BBADHN CN(CCc1nnnn1C)C[C@@H]1CCC[C@H]1O ZINC000878301260 590539113 /nfs/dbraw/zinc/53/91/13/590539113.db2.gz VEDYHMBCANCEGG-VHSXEESVSA-N 0 3 239.323 -0.155 20 0 BBADHN CN(CCc1nnnn1C)C[C@H]1CCC[C@@H]1O ZINC000878301261 590538221 /nfs/dbraw/zinc/53/82/21/590538221.db2.gz VEDYHMBCANCEGG-ZJUUUORDSA-N 0 3 239.323 -0.155 20 0 BBADHN Cn1ccnc1[C@H]1CCN(CCn2cnnn2)C1 ZINC000878302500 590538712 /nfs/dbraw/zinc/53/87/12/590538712.db2.gz OPBQALGIXJPJBI-JTQLQIEISA-N 0 3 247.306 -0.104 20 0 BBADHN Cn1ccnc1[C@@H]1CCN(CCn2cnnn2)C1 ZINC000878302501 590538907 /nfs/dbraw/zinc/53/89/07/590538907.db2.gz OPBQALGIXJPJBI-SNVBAGLBSA-N 0 3 247.306 -0.104 20 0 BBADHN C[C@@H]1CN(CCn2cnnn2)CCN1C ZINC000878316328 590542968 /nfs/dbraw/zinc/54/29/68/590542968.db2.gz DSNGLKTWJACUSL-SECBINFHSA-N 0 3 210.285 -0.691 20 0 BBADHN C[C@H]1CN(CCn2cnnn2)CCN1C ZINC000878316329 590542981 /nfs/dbraw/zinc/54/29/81/590542981.db2.gz DSNGLKTWJACUSL-VIFPVBQESA-N 0 3 210.285 -0.691 20 0 BBADHN COCC1(N(C)CCc2nnnn2C)CC1 ZINC000878317370 590542794 /nfs/dbraw/zinc/54/27/94/590542794.db2.gz HTQYCWFRGWPFSQ-UHFFFAOYSA-N 0 3 225.296 -0.137 20 0 BBADHN COCC1(N(C)CCn2cnnn2)CC1 ZINC000878317925 590543680 /nfs/dbraw/zinc/54/36/80/590543680.db2.gz NCWLZBBLOVUZFB-UHFFFAOYSA-N 0 3 211.269 -0.216 20 0 BBADHN CN(CCCn1ccnc1)CCc1nnnn1C ZINC000878318684 590543829 /nfs/dbraw/zinc/54/38/29/590543829.db2.gz BXAVDCVLVZTXSF-UHFFFAOYSA-N 0 3 249.322 -0.029 20 0 BBADHN CN(CCCn1ccnc1)CCn1cnnn1 ZINC000878318978 590543859 /nfs/dbraw/zinc/54/38/59/590543859.db2.gz GBXGTTCECRPQJU-UHFFFAOYSA-N 0 3 235.295 -0.108 20 0 BBADHN C[C@@H]1C[C@@H](O)CN1C[C@@H](O)CC(C)(C)O ZINC000878319315 590543925 /nfs/dbraw/zinc/54/39/25/590543925.db2.gz ORGGQVAOQVSSCX-BBBLOLIVSA-N 0 3 217.309 -0.037 20 0 BBADHN C[C@@H]1C[C@H](O)CN1C[C@H](O)CC(C)(C)O ZINC000878319316 590543496 /nfs/dbraw/zinc/54/34/96/590543496.db2.gz ORGGQVAOQVSSCX-KXUCPTDWSA-N 0 3 217.309 -0.037 20 0 BBADHN C[C@@H]1C[C@@H](O)CN1C[C@H](O)CC(C)(C)O ZINC000878319317 590544378 /nfs/dbraw/zinc/54/43/78/590544378.db2.gz ORGGQVAOQVSSCX-OPRDCNLKSA-N 0 3 217.309 -0.037 20 0 BBADHN C[C@@H]1C[C@H](O)CN1C[C@@H](O)CC(C)(C)O ZINC000878319318 590543562 /nfs/dbraw/zinc/54/35/62/590543562.db2.gz ORGGQVAOQVSSCX-UTLUCORTSA-N 0 3 217.309 -0.037 20 0 BBADHN C[C@@H]1C[C@@H](O)CN1CCc1nnnn1C ZINC000878319592 590545596 /nfs/dbraw/zinc/54/55/96/590545596.db2.gz XAHMQXNOIUTETP-HTQZYQBOSA-N 0 3 211.269 -0.792 20 0 BBADHN C[C@H]1C[C@@H](O)CN1CCc1nnnn1C ZINC000878319593 590545304 /nfs/dbraw/zinc/54/53/04/590545304.db2.gz XAHMQXNOIUTETP-JGVFFNPUSA-N 0 3 211.269 -0.792 20 0 BBADHN C[C@@H]1C[C@H](O)CN1CCc1nnnn1C ZINC000878319594 590545252 /nfs/dbraw/zinc/54/52/52/590545252.db2.gz XAHMQXNOIUTETP-SFYZADRCSA-N 0 3 211.269 -0.792 20 0 BBADHN C[C@H]1C[C@H](O)CN1CCc1nnnn1C ZINC000878319595 590544445 /nfs/dbraw/zinc/54/44/45/590544445.db2.gz XAHMQXNOIUTETP-YUMQZZPRSA-N 0 3 211.269 -0.792 20 0 BBADHN CC[C@@H]1CN(CCc2nnnn2C)C[C@@H]1O ZINC000878321348 590544999 /nfs/dbraw/zinc/54/49/99/590544999.db2.gz OPSNOSVFWRAHQB-BDAKNGLRSA-N 0 3 225.296 -0.545 20 0 BBADHN CC[C@H]1CN(CCc2nnnn2C)C[C@H]1O ZINC000878321349 590545537 /nfs/dbraw/zinc/54/55/37/590545537.db2.gz OPSNOSVFWRAHQB-DTWKUNHWSA-N 0 3 225.296 -0.545 20 0 BBADHN CC[C@H]1CN(CCc2nnnn2C)C[C@@H]1O ZINC000878321350 590545131 /nfs/dbraw/zinc/54/51/31/590545131.db2.gz OPSNOSVFWRAHQB-IUCAKERBSA-N 0 3 225.296 -0.545 20 0 BBADHN CC[C@@H]1CN(CCc2nnnn2C)C[C@H]1O ZINC000878321351 590545555 /nfs/dbraw/zinc/54/55/55/590545555.db2.gz OPSNOSVFWRAHQB-RKDXNWHRSA-N 0 3 225.296 -0.545 20 0 BBADHN Cn1nnnc1CCN1CCN(C)CC1(C)C ZINC000878328197 590547626 /nfs/dbraw/zinc/54/76/26/590547626.db2.gz DMWVLTJYMNMPJU-UHFFFAOYSA-N 0 3 238.339 -0.221 20 0 BBADHN Cn1nnnc1CCN1CCC[C@](C)(O)C1 ZINC000878328744 590547762 /nfs/dbraw/zinc/54/77/62/590547762.db2.gz NWNHFEMRSVTQAQ-JTQLQIEISA-N 0 3 225.296 -0.401 20 0 BBADHN Cn1nnnc1CCN1CCC[C@@](C)(O)C1 ZINC000878328746 590547528 /nfs/dbraw/zinc/54/75/28/590547528.db2.gz NWNHFEMRSVTQAQ-SNVBAGLBSA-N 0 3 225.296 -0.401 20 0 BBADHN CN1CCN(CCn2cnnn2)C(C)(C)C1 ZINC000878329368 590547325 /nfs/dbraw/zinc/54/73/25/590547325.db2.gz XXAZJWWVWAXCRF-UHFFFAOYSA-N 0 3 224.312 -0.301 20 0 BBADHN C[C@@H]1CN(CCc2nnnn2C)C[C@H]1O ZINC000878334989 590548782 /nfs/dbraw/zinc/54/87/82/590548782.db2.gz GDOLLSXFJGBCBD-HTQZYQBOSA-N 0 3 211.269 -0.935 20 0 BBADHN C[C@H]1CN(CCc2nnnn2C)C[C@H]1O ZINC000878334990 590548743 /nfs/dbraw/zinc/54/87/43/590548743.db2.gz GDOLLSXFJGBCBD-JGVFFNPUSA-N 0 3 211.269 -0.935 20 0 BBADHN C[C@@H]1CN(CCc2nnnn2C)C[C@@H]1O ZINC000878334991 590548877 /nfs/dbraw/zinc/54/88/77/590548877.db2.gz GDOLLSXFJGBCBD-SFYZADRCSA-N 0 3 211.269 -0.935 20 0 BBADHN C[C@H]1CN(CCc2nnnn2C)C[C@@H]1O ZINC000878334992 590548065 /nfs/dbraw/zinc/54/80/65/590548065.db2.gz GDOLLSXFJGBCBD-YUMQZZPRSA-N 0 3 211.269 -0.935 20 0 BBADHN C[C@@H]1CN(CCc2nnnn2C)[C@H](C)CN1C ZINC000878335953 590550042 /nfs/dbraw/zinc/55/00/42/590550042.db2.gz SIFQONIAUIRGAU-NXEZZACHSA-N 0 3 238.339 -0.223 20 0 BBADHN C[C@H]1CN(CCc2nnnn2C)[C@@H](C)CN1C ZINC000878335955 590549890 /nfs/dbraw/zinc/54/98/90/590549890.db2.gz SIFQONIAUIRGAU-UWVGGRQHSA-N 0 3 238.339 -0.223 20 0 BBADHN C[C@@H]1CN(C)[C@@H](C)CN1CCc1nnnn1C ZINC000878335957 590549402 /nfs/dbraw/zinc/54/94/02/590549402.db2.gz SIFQONIAUIRGAU-VHSXEESVSA-N 0 3 238.339 -0.223 20 0 BBADHN C[C@@H]1CN(CCc2nnnn2C)[C@@H](C)CN1C ZINC000878335959 590550058 /nfs/dbraw/zinc/55/00/58/590550058.db2.gz SIFQONIAUIRGAU-ZJUUUORDSA-N 0 3 238.339 -0.223 20 0 BBADHN C[C@@H]1CN(CCn2cnnn2)[C@H](C)CN1C ZINC000878336484 590549366 /nfs/dbraw/zinc/54/93/66/590549366.db2.gz YWCLPWXCMLXNHC-NXEZZACHSA-N 0 3 224.312 -0.303 20 0 BBADHN C[C@H]1CN(CCn2cnnn2)[C@@H](C)CN1C ZINC000878336485 590549934 /nfs/dbraw/zinc/54/99/34/590549934.db2.gz YWCLPWXCMLXNHC-UWVGGRQHSA-N 0 3 224.312 -0.303 20 0 BBADHN C[C@@H]1CN(C)[C@@H](C)CN1CCn1cnnn1 ZINC000878336486 590549622 /nfs/dbraw/zinc/54/96/22/590549622.db2.gz YWCLPWXCMLXNHC-VHSXEESVSA-N 0 3 224.312 -0.303 20 0 BBADHN C[C@@H]1CN(CCn2cnnn2)[C@@H](C)CN1C ZINC000878336487 590550010 /nfs/dbraw/zinc/55/00/10/590550010.db2.gz YWCLPWXCMLXNHC-ZJUUUORDSA-N 0 3 224.312 -0.303 20 0 BBADHN CN(CCc1cnccn1)CCn1cnnn1 ZINC000878337860 590549356 /nfs/dbraw/zinc/54/93/56/590549356.db2.gz QRYKTCQLPLFTSA-UHFFFAOYSA-N 0 3 233.279 -0.362 20 0 BBADHN O=C(NCCNc1ccncc1)[C@H]1CCC(=O)O1 ZINC000878338032 590551114 /nfs/dbraw/zinc/55/11/14/590551114.db2.gz MEUSVYFMQLXELP-SNVBAGLBSA-N 0 3 249.270 -0.263 20 0 BBADHN C[C@@H]1[C@@H](C)N(CCn2cnnn2)CCN1C ZINC000878340103 590550899 /nfs/dbraw/zinc/55/08/99/590550899.db2.gz PSKAJPKJKRICAZ-NXEZZACHSA-N 0 3 224.312 -0.303 20 0 BBADHN C[C@H]1[C@H](C)N(CCn2cnnn2)CCN1C ZINC000878340105 590550654 /nfs/dbraw/zinc/55/06/54/590550654.db2.gz PSKAJPKJKRICAZ-UWVGGRQHSA-N 0 3 224.312 -0.303 20 0 BBADHN C[C@@H]1[C@H](C)N(C)CCN1CCn1cnnn1 ZINC000878340106 590551290 /nfs/dbraw/zinc/55/12/90/590551290.db2.gz PSKAJPKJKRICAZ-VHSXEESVSA-N 0 3 224.312 -0.303 20 0 BBADHN C[C@@H]1[C@H](C)N(CCn2cnnn2)CCN1C ZINC000878340108 590551026 /nfs/dbraw/zinc/55/10/26/590551026.db2.gz PSKAJPKJKRICAZ-ZJUUUORDSA-N 0 3 224.312 -0.303 20 0 BBADHN C[C@@H]1[C@@H](C)N(CCc2nnnn2C)CCN1C ZINC000878340385 590550777 /nfs/dbraw/zinc/55/07/77/590550777.db2.gz RJYSGXSHRXENEV-NXEZZACHSA-N 0 3 238.339 -0.223 20 0 BBADHN C[C@H]1[C@H](C)N(CCc2nnnn2C)CCN1C ZINC000878340386 590550922 /nfs/dbraw/zinc/55/09/22/590550922.db2.gz RJYSGXSHRXENEV-UWVGGRQHSA-N 0 3 238.339 -0.223 20 0 BBADHN C[C@@H]1[C@H](C)N(C)CCN1CCc1nnnn1C ZINC000878340387 590550354 /nfs/dbraw/zinc/55/03/54/590550354.db2.gz RJYSGXSHRXENEV-VHSXEESVSA-N 0 3 238.339 -0.223 20 0 BBADHN C[C@@H]1[C@H](C)N(CCc2nnnn2C)CCN1C ZINC000878340388 590550814 /nfs/dbraw/zinc/55/08/14/590550814.db2.gz RJYSGXSHRXENEV-ZJUUUORDSA-N 0 3 238.339 -0.223 20 0 BBADHN CCOCCN(C)CCc1nnnn1C ZINC000878341297 590543474 /nfs/dbraw/zinc/54/34/74/590543474.db2.gz VIKQUCYIMKHLNP-UHFFFAOYSA-N 0 3 213.285 -0.279 20 0 BBADHN COCCCOCCN(C)CCn1cnnn1 ZINC000878344335 590552189 /nfs/dbraw/zinc/55/21/89/590552189.db2.gz VSFFIFMHEPVABE-UHFFFAOYSA-N 0 3 243.311 -0.342 20 0 BBADHN CNC(=O)[C@@H](NCCn1cnnn1)C(C)C ZINC000878363971 590554356 /nfs/dbraw/zinc/55/43/56/590554356.db2.gz CBKQUWKDFORBIL-QMMMGPOBSA-N 0 3 226.284 -0.967 20 0 BBADHN CNC(=O)[C@@H](NCCc1nnnn1C)C(C)C ZINC000878364113 590554616 /nfs/dbraw/zinc/55/46/16/590554616.db2.gz CRBGAOUVTOIRMQ-VIFPVBQESA-N 0 3 240.311 -0.887 20 0 BBADHN C[C@@H]1CCOCCN1CCn1cnnn1 ZINC000878372461 590555418 /nfs/dbraw/zinc/55/54/18/590555418.db2.gz CLLVZXJHWAGCDK-SECBINFHSA-N 0 3 211.269 -0.216 20 0 BBADHN C[C@H]1CCOCCN1CCn1cnnn1 ZINC000878372462 590555457 /nfs/dbraw/zinc/55/54/57/590555457.db2.gz CLLVZXJHWAGCDK-VIFPVBQESA-N 0 3 211.269 -0.216 20 0 BBADHN CN1CCC[C@@H](NC(=O)C[C@H]2CCNC2=O)C1 ZINC000878374110 590556209 /nfs/dbraw/zinc/55/62/09/590556209.db2.gz QVDGLXVIRPSLAB-NXEZZACHSA-N 0 3 239.319 -0.277 20 0 BBADHN CN1CCC[C@H](NC(=O)C[C@@H]2CCNC2=O)C1 ZINC000878374112 590555323 /nfs/dbraw/zinc/55/53/23/590555323.db2.gz QVDGLXVIRPSLAB-UWVGGRQHSA-N 0 3 239.319 -0.277 20 0 BBADHN CN1CCC[C@@H](NC(=O)C[C@@H]2CCNC2=O)C1 ZINC000878374113 590555611 /nfs/dbraw/zinc/55/56/11/590555611.db2.gz QVDGLXVIRPSLAB-VHSXEESVSA-N 0 3 239.319 -0.277 20 0 BBADHN CN1CCC[C@H](NC(=O)C[C@H]2CCNC2=O)C1 ZINC000878374358 590555108 /nfs/dbraw/zinc/55/51/08/590555108.db2.gz QVDGLXVIRPSLAB-ZJUUUORDSA-N 0 3 239.319 -0.277 20 0 BBADHN C[C@@H]1CCOCCN1CCc1nnnn1C ZINC000878374614 590555386 /nfs/dbraw/zinc/55/53/86/590555386.db2.gz VMBMZDBBBKMRCT-SECBINFHSA-N 0 3 225.296 -0.137 20 0 BBADHN C[C@H]1CCOCCN1CCc1nnnn1C ZINC000878374615 590555499 /nfs/dbraw/zinc/55/54/99/590555499.db2.gz VMBMZDBBBKMRCT-VIFPVBQESA-N 0 3 225.296 -0.137 20 0 BBADHN NC(=O)c1ccc(CCNC2(C(N)=O)CC2)cc1 ZINC000878385686 590558056 /nfs/dbraw/zinc/55/80/56/590558056.db2.gz RNEHUNIPQDBXBB-UHFFFAOYSA-N 0 3 247.298 -0.065 20 0 BBADHN CN(C[C@@H](O)CC(C)(C)O)[C@@]1(CO)CCOC1 ZINC000878397504 590559934 /nfs/dbraw/zinc/55/99/34/590559934.db2.gz UKZKQXASYFAXHN-CMPLNLGQSA-N 0 3 247.335 -0.409 20 0 BBADHN CN(C[C@@H](O)CC(C)(C)O)[C@]1(CO)CCOC1 ZINC000878397506 590560140 /nfs/dbraw/zinc/56/01/40/590560140.db2.gz UKZKQXASYFAXHN-JQWIXIFHSA-N 0 3 247.335 -0.409 20 0 BBADHN CN(C[C@H](O)CC(C)(C)O)[C@]1(CO)CCOC1 ZINC000878397507 590559407 /nfs/dbraw/zinc/55/94/07/590559407.db2.gz UKZKQXASYFAXHN-PWSUYJOCSA-N 0 3 247.335 -0.409 20 0 BBADHN CN(C[C@H](O)CC(C)(C)O)[C@@]1(CO)CCOC1 ZINC000878397509 590559441 /nfs/dbraw/zinc/55/94/41/590559441.db2.gz UKZKQXASYFAXHN-ZYHUDNBSSA-N 0 3 247.335 -0.409 20 0 BBADHN CN(CCNC(=O)c1nnn(C)n1)C1CC1 ZINC000878414431 590562728 /nfs/dbraw/zinc/56/27/28/590562728.db2.gz LUROKYSXBAJZEA-UHFFFAOYSA-N 0 3 224.268 -0.966 20 0 BBADHN CN(CCNC(=O)C[C@H]1CCNC1=O)C1CC1 ZINC000878415080 590562451 /nfs/dbraw/zinc/56/24/51/590562451.db2.gz ROURVVMIUBQQKI-SECBINFHSA-N 0 3 239.319 -0.277 20 0 BBADHN CN(CCNC(=O)C[C@@H]1CCNC1=O)C1CC1 ZINC000878415081 590562823 /nfs/dbraw/zinc/56/28/23/590562823.db2.gz ROURVVMIUBQQKI-VIFPVBQESA-N 0 3 239.319 -0.277 20 0 BBADHN CN(C)C1(CNC(=O)NCCO)CC1 ZINC000878416522 590563545 /nfs/dbraw/zinc/56/35/45/590563545.db2.gz BXKPCFOIRHZTGS-UHFFFAOYSA-N 0 3 201.270 -0.628 20 0 BBADHN Cn1cc(C(C)(C)NCCn2cnnn2)cn1 ZINC000878422035 645812632 /nfs/dbraw/zinc/81/26/32/645812632.db2.gz GXDGPZGIHOLKOR-UHFFFAOYSA-N 0 3 235.295 -0.069 20 0 BBADHN C[C@@H](NCCn1cnnn1)c1cn[nH]c1 ZINC000878425527 583373728 /nfs/dbraw/zinc/37/37/28/583373728.db2.gz ACYIDTDWLIFWTK-SSDOTTSWSA-N 0 3 207.241 -0.253 20 0 BBADHN C[C@H](NCCn1cnnn1)c1cn[nH]c1 ZINC000878425528 583373240 /nfs/dbraw/zinc/37/32/40/583373240.db2.gz ACYIDTDWLIFWTK-ZETCQYMHSA-N 0 3 207.241 -0.253 20 0 BBADHN C[C@@H](NCCc1nnnn1C)c1cn[nH]c1 ZINC000878428174 590565063 /nfs/dbraw/zinc/56/50/63/590565063.db2.gz ZRPZLFBSSXVVOU-SSDOTTSWSA-N 0 3 221.268 -0.174 20 0 BBADHN C[C@H](NCCc1nnnn1C)c1cn[nH]c1 ZINC000878428175 590565325 /nfs/dbraw/zinc/56/53/25/590565325.db2.gz ZRPZLFBSSXVVOU-ZETCQYMHSA-N 0 3 221.268 -0.174 20 0 BBADHN CN1CCC[C@@H]1CNC(=O)C[C@H]1CCNC1=O ZINC000878429239 590566381 /nfs/dbraw/zinc/56/63/81/590566381.db2.gz YDDMRBKLAVDLRF-NXEZZACHSA-N 0 3 239.319 -0.277 20 0 BBADHN CN1CCC[C@H]1CNC(=O)C[C@@H]1CCNC1=O ZINC000878429240 590566416 /nfs/dbraw/zinc/56/64/16/590566416.db2.gz YDDMRBKLAVDLRF-UWVGGRQHSA-N 0 3 239.319 -0.277 20 0 BBADHN CN1CCC[C@@H]1CNC(=O)C[C@@H]1CCNC1=O ZINC000878429241 590566409 /nfs/dbraw/zinc/56/64/09/590566409.db2.gz YDDMRBKLAVDLRF-VHSXEESVSA-N 0 3 239.319 -0.277 20 0 BBADHN CN1CCC[C@H]1CNC(=O)C[C@H]1CCNC1=O ZINC000878429242 590566740 /nfs/dbraw/zinc/56/67/40/590566740.db2.gz YDDMRBKLAVDLRF-ZJUUUORDSA-N 0 3 239.319 -0.277 20 0 BBADHN CN(CCc1nnnn1C)C1CC(O)C1 ZINC000878430269 583373679 /nfs/dbraw/zinc/37/36/79/583373679.db2.gz ATWCWBZISWENMY-UHFFFAOYSA-N 0 3 211.269 -0.792 20 0 BBADHN CN(C[C@@H](O)CC(C)(C)O)C1CC(O)C1 ZINC000878430292 590566326 /nfs/dbraw/zinc/56/63/26/590566326.db2.gz BQMKBBBZWCSUFR-RTBKNWGFSA-N 0 3 217.309 -0.037 20 0 BBADHN CN(C[C@H](O)CC(C)(C)O)C1CC(O)C1 ZINC000878430293 590566480 /nfs/dbraw/zinc/56/64/80/590566480.db2.gz BQMKBBBZWCSUFR-UDNWOFFPSA-N 0 3 217.309 -0.037 20 0 BBADHN CN(CCc1nnnn1C)CC1(O)CCC1 ZINC000878430410 590566404 /nfs/dbraw/zinc/56/64/04/590566404.db2.gz GBESUZPYCCKDKZ-UHFFFAOYSA-N 0 3 225.296 -0.401 20 0 BBADHN CN(CCn1cnnn1)CC1(O)CCC1 ZINC000878430564 590566533 /nfs/dbraw/zinc/56/65/33/590566533.db2.gz KUNPEPQKPWSNCF-UHFFFAOYSA-N 0 3 211.269 -0.480 20 0 BBADHN Cn1nnnc1CCN1CCC[C@@]1(C)CO ZINC000878430750 590566491 /nfs/dbraw/zinc/56/64/91/590566491.db2.gz REQDSHWNFQQVKW-JTQLQIEISA-N 0 3 225.296 -0.401 20 0 BBADHN Cn1nnnc1CCN1CCC[C@]1(C)CO ZINC000878430751 590565770 /nfs/dbraw/zinc/56/57/70/590565770.db2.gz REQDSHWNFQQVKW-SNVBAGLBSA-N 0 3 225.296 -0.401 20 0 BBADHN Cn1nnnc1CCN1CCC(C)(CO)CC1 ZINC000878433511 590567597 /nfs/dbraw/zinc/56/75/97/590567597.db2.gz FYPYRIRWGVZZMJ-UHFFFAOYSA-N 0 3 239.323 -0.153 20 0 BBADHN CN(CCc1nnnn1C)CCN(C)C1CC1 ZINC000878442811 590568995 /nfs/dbraw/zinc/56/89/95/590568995.db2.gz BJEPCYAZPFUDRA-UHFFFAOYSA-N 0 3 238.339 -0.221 20 0 BBADHN CN(CCN(C)C1CC1)CCn1cnnn1 ZINC000878443919 590568565 /nfs/dbraw/zinc/56/85/65/590568565.db2.gz REBDPJACLRRVHL-UHFFFAOYSA-N 0 3 224.312 -0.301 20 0 BBADHN COCC1=CCN(CCn2cnnn2)CC1 ZINC000878454262 590570868 /nfs/dbraw/zinc/57/08/68/590570868.db2.gz ACYVSFOQUIYNBH-UHFFFAOYSA-N 0 3 223.280 -0.048 20 0 BBADHN Cn1nnnc1CCN(CC(C)(C)O)C1CC1 ZINC000878461536 590571825 /nfs/dbraw/zinc/57/18/25/590571825.db2.gz BPFPLJITLDIKHF-UHFFFAOYSA-N 0 3 239.323 -0.012 20 0 BBADHN CC(C)(O)CN(CCn1cnnn1)C1CC1 ZINC000878462390 590572155 /nfs/dbraw/zinc/57/21/55/590572155.db2.gz LDPMRDQKJRPKLO-UHFFFAOYSA-N 0 3 225.296 -0.092 20 0 BBADHN CC[C@]1(O)CCN(CCc2nnnn2C)C1 ZINC000878465219 590573512 /nfs/dbraw/zinc/57/35/12/590573512.db2.gz CQCDDIOSQIFIJM-JTQLQIEISA-N 0 3 225.296 -0.401 20 0 BBADHN CC[C@@]1(O)CCN(CCc2nnnn2C)C1 ZINC000878465220 590572834 /nfs/dbraw/zinc/57/28/34/590572834.db2.gz CQCDDIOSQIFIJM-SNVBAGLBSA-N 0 3 225.296 -0.401 20 0 BBADHN CC[C@@]1(O)CCN(CCn2cnnn2)C1 ZINC000878466642 590573408 /nfs/dbraw/zinc/57/34/08/590573408.db2.gz VBCKDGAJAUOJOD-SECBINFHSA-N 0 3 211.269 -0.480 20 0 BBADHN CC[C@]1(O)CCN(CCn2cnnn2)C1 ZINC000878466644 590572975 /nfs/dbraw/zinc/57/29/75/590572975.db2.gz VBCKDGAJAUOJOD-VIFPVBQESA-N 0 3 211.269 -0.480 20 0 BBADHN Cn1nnnc1CCN1CCC[C@@H]1CCO ZINC000878466913 590572970 /nfs/dbraw/zinc/57/29/70/590572970.db2.gz QVKMJLAPVKHFAJ-SECBINFHSA-N 0 3 225.296 -0.401 20 0 BBADHN Cn1nnnc1CCN1CCC[C@H]1CCO ZINC000878466914 590572985 /nfs/dbraw/zinc/57/29/85/590572985.db2.gz QVKMJLAPVKHFAJ-VIFPVBQESA-N 0 3 225.296 -0.401 20 0 BBADHN C[C@@H]1C[C@@H](O)C[C@H](C)N1CCc1nnnn1C ZINC000878475270 590574278 /nfs/dbraw/zinc/57/42/78/590574278.db2.gz KHBQQSNPQLRGLZ-ILWJIGKKSA-N 0 3 239.323 -0.014 20 0 BBADHN C[C@H]1CC(O)C[C@H](C)N1CCc1nnnn1C ZINC000878475271 590574225 /nfs/dbraw/zinc/57/42/25/590574225.db2.gz KHBQQSNPQLRGLZ-IUCAKERBSA-N 0 3 239.323 -0.014 20 0 BBADHN C[C@@H]1CC(O)C[C@@H](C)N1CCc1nnnn1C ZINC000878475272 590574591 /nfs/dbraw/zinc/57/45/91/590574591.db2.gz KHBQQSNPQLRGLZ-RKDXNWHRSA-N 0 3 239.323 -0.014 20 0 BBADHN C[C@@H]1C[C@@H](O)C[C@H](C)N1CCn1cnnn1 ZINC000878475881 590573997 /nfs/dbraw/zinc/57/39/97/590573997.db2.gz UIAYINRWXWATDB-ILWJIGKKSA-N 0 3 225.296 -0.093 20 0 BBADHN C[C@H]1CC(O)C[C@H](C)N1CCn1cnnn1 ZINC000878475882 590574348 /nfs/dbraw/zinc/57/43/48/590574348.db2.gz UIAYINRWXWATDB-IUCAKERBSA-N 0 3 225.296 -0.093 20 0 BBADHN C[C@@H]1CC(O)C[C@@H](C)N1CCn1cnnn1 ZINC000878475883 590573901 /nfs/dbraw/zinc/57/39/01/590573901.db2.gz UIAYINRWXWATDB-RKDXNWHRSA-N 0 3 225.296 -0.093 20 0 BBADHN COCCO[C@H]1CCN(CCn2cnnn2)C1 ZINC000878477872 590574724 /nfs/dbraw/zinc/57/47/24/590574724.db2.gz VDYSZHPDGXPWMS-JTQLQIEISA-N 0 3 241.295 -0.590 20 0 BBADHN COCCO[C@@H]1CCN(CCn2cnnn2)C1 ZINC000878477873 590574757 /nfs/dbraw/zinc/57/47/57/590574757.db2.gz VDYSZHPDGXPWMS-SNVBAGLBSA-N 0 3 241.295 -0.590 20 0 BBADHN OCCN(CCn1cnnn1)C1CCOCC1 ZINC000878478484 590575170 /nfs/dbraw/zinc/57/51/70/590575170.db2.gz JQLBPMHJJFMQHD-UHFFFAOYSA-N 0 3 241.295 -0.854 20 0 BBADHN COCCCN(CCO)CCn1cnnn1 ZINC000878479393 590574733 /nfs/dbraw/zinc/57/47/33/590574733.db2.gz COQRGQHVJGMOSG-UHFFFAOYSA-N 0 3 229.284 -0.996 20 0 BBADHN COCCCN(CCO)CCc1nnnn1C ZINC000878479639 590575321 /nfs/dbraw/zinc/57/53/21/590575321.db2.gz HCNRGVKMANUPPF-UHFFFAOYSA-N 0 3 243.311 -0.917 20 0 BBADHN COCCCN(CCO)C[C@H](O)CC(C)(C)O ZINC000878481354 590576460 /nfs/dbraw/zinc/57/64/60/590576460.db2.gz WYEPORUMSYPGCH-LLVKDONJSA-N 0 3 249.351 -0.161 20 0 BBADHN COCCCN(CCO)C[C@@H](O)CC(C)(C)O ZINC000878481355 590576572 /nfs/dbraw/zinc/57/65/72/590576572.db2.gz WYEPORUMSYPGCH-NSHDSACASA-N 0 3 249.351 -0.161 20 0 BBADHN Cn1nnnc1CCN1CC[C@@H](O)C(C)(C)C1 ZINC000878482107 590576003 /nfs/dbraw/zinc/57/60/03/590576003.db2.gz KHOCRANCAKUZNA-SECBINFHSA-N 0 3 239.323 -0.155 20 0 BBADHN Cn1nnnc1CCN1CC[C@H](O)C(C)(C)C1 ZINC000878482108 590576550 /nfs/dbraw/zinc/57/65/50/590576550.db2.gz KHOCRANCAKUZNA-VIFPVBQESA-N 0 3 239.323 -0.155 20 0 BBADHN CN(CCc1nnnn1C)CC1(CO)CC1 ZINC000878482204 590575859 /nfs/dbraw/zinc/57/58/59/590575859.db2.gz MWYBHJQNVDRSEE-UHFFFAOYSA-N 0 3 225.296 -0.543 20 0 BBADHN CN(CCn1cnnn1)CC1(CO)CC1 ZINC000878482422 590577551 /nfs/dbraw/zinc/57/75/51/590577551.db2.gz QTFCKPVDEBATMW-UHFFFAOYSA-N 0 3 211.269 -0.623 20 0 BBADHN CC(C)(O)C[C@H](O)CN1C[C@@H]2C[C@]2(CO)C1 ZINC000878482573 590577675 /nfs/dbraw/zinc/57/76/75/590577675.db2.gz UOSCSOKNPURPGK-JBLDHEPKSA-N 0 3 229.320 -0.178 20 0 BBADHN CC(C)(O)C[C@H](O)CN1C[C@H]2C[C@@]2(CO)C1 ZINC000878482576 590577358 /nfs/dbraw/zinc/57/73/58/590577358.db2.gz UOSCSOKNPURPGK-SCVCMEIPSA-N 0 3 229.320 -0.178 20 0 BBADHN C[C@@H]1CCN(CCc2nnnn2C)[C@H]1CO ZINC000878485243 590577892 /nfs/dbraw/zinc/57/78/92/590577892.db2.gz LIZHKWWXYVNLOU-BDAKNGLRSA-N 0 3 225.296 -0.545 20 0 BBADHN C[C@H]1CCN(CCc2nnnn2C)[C@@H]1CO ZINC000878485244 590578530 /nfs/dbraw/zinc/57/85/30/590578530.db2.gz LIZHKWWXYVNLOU-DTWKUNHWSA-N 0 3 225.296 -0.545 20 0 BBADHN C[C@H]1CCN(CCc2nnnn2C)[C@H]1CO ZINC000878485245 590578056 /nfs/dbraw/zinc/57/80/56/590578056.db2.gz LIZHKWWXYVNLOU-IUCAKERBSA-N 0 3 225.296 -0.545 20 0 BBADHN C[C@@H]1CCN(CCc2nnnn2C)[C@@H]1CO ZINC000878485246 590577774 /nfs/dbraw/zinc/57/77/74/590577774.db2.gz LIZHKWWXYVNLOU-RKDXNWHRSA-N 0 3 225.296 -0.545 20 0 BBADHN Cn1nnnc1CCN(CCO)C1CCC1 ZINC000878485674 590578069 /nfs/dbraw/zinc/57/80/69/590578069.db2.gz HQYAMAOZVLZCKC-UHFFFAOYSA-N 0 3 225.296 -0.401 20 0 BBADHN CCOCCOCCN(C)CCn1cnnn1 ZINC000878493216 590579445 /nfs/dbraw/zinc/57/94/45/590579445.db2.gz XDDPLTFLUPGREU-UHFFFAOYSA-N 0 3 243.311 -0.342 20 0 BBADHN COC(=O)[C@H]1CCN(CCn2cnnn2)[C@@H]1C ZINC000878494537 590579574 /nfs/dbraw/zinc/57/95/74/590579574.db2.gz COFYBXHRWRTXBA-BDAKNGLRSA-N 0 3 239.279 -0.444 20 0 BBADHN COC(=O)[C@@H]1CCN(CCn2cnnn2)[C@H]1C ZINC000878494553 590579417 /nfs/dbraw/zinc/57/94/17/590579417.db2.gz COFYBXHRWRTXBA-DTWKUNHWSA-N 0 3 239.279 -0.444 20 0 BBADHN COC(=O)[C@H]1CCN(CCn2cnnn2)[C@H]1C ZINC000878494556 590579582 /nfs/dbraw/zinc/57/95/82/590579582.db2.gz COFYBXHRWRTXBA-IUCAKERBSA-N 0 3 239.279 -0.444 20 0 BBADHN COC(=O)[C@@H]1CCN(CCn2cnnn2)[C@@H]1C ZINC000878494560 590579597 /nfs/dbraw/zinc/57/95/97/590579597.db2.gz COFYBXHRWRTXBA-RKDXNWHRSA-N 0 3 239.279 -0.444 20 0 BBADHN CC(C)OC[C@@H](O)CN1CC[C@H](CO)[C@H](O)C1 ZINC000878500712 590580723 /nfs/dbraw/zinc/58/07/23/590580723.db2.gz IPABGWPEQOCHJA-GRYCIOLGSA-N 0 3 247.335 -0.553 20 0 BBADHN CC(C)OC[C@@H](O)CN1CC[C@@H](CO)[C@H](O)C1 ZINC000878500713 590581051 /nfs/dbraw/zinc/58/10/51/590581051.db2.gz IPABGWPEQOCHJA-SDDRHHMPSA-N 0 3 247.335 -0.553 20 0 BBADHN CC(C)OC[C@@H](O)CN1CC[C@@H](CO)[C@@H](O)C1 ZINC000878500714 590580957 /nfs/dbraw/zinc/58/09/57/590580957.db2.gz IPABGWPEQOCHJA-SRVKXCTJSA-N 0 3 247.335 -0.553 20 0 BBADHN CC(C)OC[C@@H](O)CN1CC[C@H](CO)[C@@H](O)C1 ZINC000878500715 590581095 /nfs/dbraw/zinc/58/10/95/590581095.db2.gz IPABGWPEQOCHJA-WOPDTQHZSA-N 0 3 247.335 -0.553 20 0 BBADHN CC(C)(O)C[C@H](O)CN1CC[C@@H](CO)[C@@H](O)C1 ZINC000878502179 590581913 /nfs/dbraw/zinc/58/19/13/590581913.db2.gz XVWVLUZLHQHTRX-DCAQKATOSA-N 0 3 247.335 -0.817 20 0 BBADHN CC(C)(O)C[C@H](O)CN1CC[C@@H](CO)[C@H](O)C1 ZINC000878502180 590581932 /nfs/dbraw/zinc/58/19/32/590581932.db2.gz XVWVLUZLHQHTRX-GARJFASQSA-N 0 3 247.335 -0.817 20 0 BBADHN CC(C)(O)C[C@H](O)CN1CC[C@H](CO)[C@H](O)C1 ZINC000878502181 590581224 /nfs/dbraw/zinc/58/12/24/590581224.db2.gz XVWVLUZLHQHTRX-OUAUKWLOSA-N 0 3 247.335 -0.817 20 0 BBADHN CC(C)(O)C[C@H](O)CN1CC[C@H](CO)[C@@H](O)C1 ZINC000878502182 590581335 /nfs/dbraw/zinc/58/13/35/590581335.db2.gz XVWVLUZLHQHTRX-VWYCJHECSA-N 0 3 247.335 -0.817 20 0 BBADHN CN(CCn1cnnn1)C1(CO)CCOCC1 ZINC000878502823 590581879 /nfs/dbraw/zinc/58/18/79/590581879.db2.gz HOJRSKIKPJLKDD-UHFFFAOYSA-N 0 3 241.295 -0.854 20 0 BBADHN CO[C@@H]1CN(C[C@@H](O)CC(C)(C)O)C[C@@H]1OC ZINC000878505276 590582135 /nfs/dbraw/zinc/58/21/35/590582135.db2.gz FEBIPKLAKUQDMW-GARJFASQSA-N 0 3 247.335 -0.146 20 0 BBADHN CO[C@@H]1CN(C[C@H](O)CC(C)(C)O)C[C@@H]1OC ZINC000878505277 590581969 /nfs/dbraw/zinc/58/19/69/590581969.db2.gz FEBIPKLAKUQDMW-MXWKQRLJSA-N 0 3 247.335 -0.146 20 0 BBADHN c1nnnn1CCN1CCC12CCOCC2 ZINC000878516020 583378491 /nfs/dbraw/zinc/37/84/91/583378491.db2.gz AXRQIBRZFRNEID-UHFFFAOYSA-N 0 3 223.280 -0.072 20 0 BBADHN c1c[nH]c(N2CCN(CCn3cnnn3)CC2)n1 ZINC000878518797 590585443 /nfs/dbraw/zinc/58/54/43/590585443.db2.gz ZPZZSZKGCNPHBF-UHFFFAOYSA-N 0 3 248.294 -0.782 20 0 BBADHN CN(CCCCCO)CCc1nnnn1C ZINC000878527749 590586677 /nfs/dbraw/zinc/58/66/77/590586677.db2.gz JCOIVXFXFKHYBZ-UHFFFAOYSA-N 0 3 227.312 -0.153 20 0 BBADHN COC[C@@H](NCCn1cnnn1)[C@H]1CCCO1 ZINC000878530081 590587297 /nfs/dbraw/zinc/58/72/97/590587297.db2.gz PUBZSGFSJQTZRC-NXEZZACHSA-N 0 3 241.295 -0.543 20 0 BBADHN COC[C@H](NCCn1cnnn1)[C@@H]1CCCO1 ZINC000878530082 583380346 /nfs/dbraw/zinc/38/03/46/583380346.db2.gz PUBZSGFSJQTZRC-UWVGGRQHSA-N 0 3 241.295 -0.543 20 0 BBADHN COC[C@H](NCCn1cnnn1)[C@H]1CCCO1 ZINC000878530086 583379976 /nfs/dbraw/zinc/37/99/76/583379976.db2.gz PUBZSGFSJQTZRC-VHSXEESVSA-N 0 3 241.295 -0.543 20 0 BBADHN COC[C@@H](NCCn1cnnn1)[C@@H]1CCCO1 ZINC000878530088 583380293 /nfs/dbraw/zinc/38/02/93/583380293.db2.gz PUBZSGFSJQTZRC-ZJUUUORDSA-N 0 3 241.295 -0.543 20 0 BBADHN Cn1nnnc1CCN1C[C@@H](O)C(C)(C)C1 ZINC000878532412 590587481 /nfs/dbraw/zinc/58/74/81/590587481.db2.gz RWPIKBWVFHLCRE-MRVPVSSYSA-N 0 3 225.296 -0.545 20 0 BBADHN Cn1nnnc1CCN1C[C@H](O)C(C)(C)C1 ZINC000878532413 590587477 /nfs/dbraw/zinc/58/74/77/590587477.db2.gz RWPIKBWVFHLCRE-QMMMGPOBSA-N 0 3 225.296 -0.545 20 0 BBADHN Cn1nnnc1CCN1CCC[C@@](C)(O)CC1 ZINC000878538418 590588623 /nfs/dbraw/zinc/58/86/23/590588623.db2.gz QRGMRCYFYOQHEG-LLVKDONJSA-N 0 3 239.323 -0.011 20 0 BBADHN Cn1nnnc1CCN1CCC[C@](C)(O)CC1 ZINC000878538419 590588641 /nfs/dbraw/zinc/58/86/41/590588641.db2.gz QRGMRCYFYOQHEG-NSHDSACASA-N 0 3 239.323 -0.011 20 0 BBADHN Cn1nnnc1CCN1CCN(C)C(C)(C)C1 ZINC000878550915 590590537 /nfs/dbraw/zinc/59/05/37/590590537.db2.gz HRRBFPMSMNOUPX-UHFFFAOYSA-N 0 3 238.339 -0.221 20 0 BBADHN CN1CCN(CCn2cnnn2)CC1(C)C ZINC000878552080 590590495 /nfs/dbraw/zinc/59/04/95/590590495.db2.gz ZFQKTFCDBDIGPR-UHFFFAOYSA-N 0 3 224.312 -0.301 20 0 BBADHN C[C@@H]1CCNC(=O)[C@H]1NC[C@H](O)CC(C)(C)O ZINC000878554489 590591130 /nfs/dbraw/zinc/59/11/30/590591130.db2.gz CZEPEXQZROSUGL-BBBLOLIVSA-N 0 3 244.335 -0.378 20 0 BBADHN C[C@@H]1CCNC(=O)[C@@H]1NC[C@@H](O)CC(C)(C)O ZINC000878554490 590591091 /nfs/dbraw/zinc/59/10/91/590591091.db2.gz CZEPEXQZROSUGL-KXUCPTDWSA-N 0 3 244.335 -0.378 20 0 BBADHN C[C@@H]1CCNC(=O)[C@@H]1NC[C@H](O)CC(C)(C)O ZINC000878554491 590591585 /nfs/dbraw/zinc/59/15/85/590591585.db2.gz CZEPEXQZROSUGL-OPRDCNLKSA-N 0 3 244.335 -0.378 20 0 BBADHN C[C@@H]1CCNC(=O)[C@H]1NC[C@@H](O)CC(C)(C)O ZINC000878554492 590591630 /nfs/dbraw/zinc/59/16/30/590591630.db2.gz CZEPEXQZROSUGL-UTLUCORTSA-N 0 3 244.335 -0.378 20 0 BBADHN CN(CCCO)C[C@H](O)CC(C)(C)O ZINC000878555619 590591554 /nfs/dbraw/zinc/59/15/54/590591554.db2.gz BVMQWZSGWPZQCO-SECBINFHSA-N 0 3 205.298 -0.178 20 0 BBADHN CN(CCCO)C[C@@H](O)CC(C)(C)O ZINC000878555620 590591498 /nfs/dbraw/zinc/59/14/98/590591498.db2.gz BVMQWZSGWPZQCO-VIFPVBQESA-N 0 3 205.298 -0.178 20 0 BBADHN CN(CCCO)CC(=O)NC1CCN(C)CC1 ZINC000878555676 590591151 /nfs/dbraw/zinc/59/11/51/590591151.db2.gz DGKLHHKAVPECFC-UHFFFAOYSA-N 0 3 243.351 -0.489 20 0 BBADHN CCN(CCOCCO)CCc1nnnn1C ZINC000878557432 590591793 /nfs/dbraw/zinc/59/17/93/590591793.db2.gz HPNSUCWWFHJHPL-UHFFFAOYSA-N 0 3 243.311 -0.917 20 0 BBADHN CCN(CCOCCO)C[C@H](O)CC(C)(C)O ZINC000878558487 590591816 /nfs/dbraw/zinc/59/18/16/590591816.db2.gz ZKPMPRZOMFZJHL-LLVKDONJSA-N 0 3 249.351 -0.161 20 0 BBADHN CCN(CCOCCO)C[C@@H](O)CC(C)(C)O ZINC000878558488 590591992 /nfs/dbraw/zinc/59/19/92/590591992.db2.gz ZKPMPRZOMFZJHL-NSHDSACASA-N 0 3 249.351 -0.161 20 0 BBADHN CN(CCOCCO)C[C@@H](O)CC(C)(C)O ZINC000878560005 590591813 /nfs/dbraw/zinc/59/18/13/590591813.db2.gz CADHWAGSVOLIBD-JTQLQIEISA-N 0 3 235.324 -0.551 20 0 BBADHN CN(CCOCCO)C[C@H](O)CC(C)(C)O ZINC000878560006 590592400 /nfs/dbraw/zinc/59/24/00/590592400.db2.gz CADHWAGSVOLIBD-SNVBAGLBSA-N 0 3 235.324 -0.551 20 0 BBADHN CC(C)[C@@H](O)CCN1CCC(O)(C(N)=O)CC1 ZINC000878560739 590592240 /nfs/dbraw/zinc/59/22/40/590592240.db2.gz FWFSWAWLQWJKCA-JTQLQIEISA-N 0 3 244.335 -0.294 20 0 BBADHN CC(C)[C@H](O)CCN1CCC(O)(C(N)=O)CC1 ZINC000878560740 590592390 /nfs/dbraw/zinc/59/23/90/590592390.db2.gz FWFSWAWLQWJKCA-SNVBAGLBSA-N 0 3 244.335 -0.294 20 0 BBADHN CO[C@H]1C[C@@H](N(C)CCn2cnnn2)C1 ZINC000878602201 590595192 /nfs/dbraw/zinc/59/51/92/590595192.db2.gz SKTYXMKWXZUXPD-DTORHVGOSA-N 0 3 211.269 -0.218 20 0 BBADHN CCN1CCN(CCn2cnnn2)[C@@H](C)C1 ZINC000878604118 590594753 /nfs/dbraw/zinc/59/47/53/590594753.db2.gz OGPZPNJRQMGVKN-JTQLQIEISA-N 0 3 224.312 -0.301 20 0 BBADHN CCN1CCN(CCn2cnnn2)[C@H](C)C1 ZINC000878604119 590595002 /nfs/dbraw/zinc/59/50/02/590595002.db2.gz OGPZPNJRQMGVKN-SNVBAGLBSA-N 0 3 224.312 -0.301 20 0 BBADHN CCN1CCN(CCc2nnnn2C)[C@@H](C)C1 ZINC000878604368 590595057 /nfs/dbraw/zinc/59/50/57/590595057.db2.gz SVPWLMHHGUODAV-JTQLQIEISA-N 0 3 238.339 -0.221 20 0 BBADHN CCN1CCN(CCc2nnnn2C)[C@H](C)C1 ZINC000878604369 590594883 /nfs/dbraw/zinc/59/48/83/590594883.db2.gz SVPWLMHHGUODAV-SNVBAGLBSA-N 0 3 238.339 -0.221 20 0 BBADHN CC(C)[C@@](C)(NC[C@H](O)CC(C)(C)O)C(N)=O ZINC000878608967 590596036 /nfs/dbraw/zinc/59/60/36/590596036.db2.gz JYQBHHWDAHFYHP-BXKDBHETSA-N 0 3 246.351 -0.002 20 0 BBADHN CC(C)[C@](C)(NC[C@@H](O)CC(C)(C)O)C(N)=O ZINC000878608968 590595906 /nfs/dbraw/zinc/59/59/06/590595906.db2.gz JYQBHHWDAHFYHP-CABZTGNLSA-N 0 3 246.351 -0.002 20 0 BBADHN CC(C)[C@@](C)(NC[C@@H](O)CC(C)(C)O)C(N)=O ZINC000878608969 590595517 /nfs/dbraw/zinc/59/55/17/590595517.db2.gz JYQBHHWDAHFYHP-JOYOIKCWSA-N 0 3 246.351 -0.002 20 0 BBADHN CC(C)[C@](C)(NC[C@H](O)CC(C)(C)O)C(N)=O ZINC000878608970 590595434 /nfs/dbraw/zinc/59/54/34/590595434.db2.gz JYQBHHWDAHFYHP-SKDRFNHKSA-N 0 3 246.351 -0.002 20 0 BBADHN CC(C)[C@](C)(NCCc1nnnn1C)C(N)=O ZINC000878609124 590595680 /nfs/dbraw/zinc/59/56/80/590595680.db2.gz OTABRZFGCUATCQ-JTQLQIEISA-N 0 3 240.311 -0.758 20 0 BBADHN CC(C)[C@@](C)(NCCc1nnnn1C)C(N)=O ZINC000878609125 590595817 /nfs/dbraw/zinc/59/58/17/590595817.db2.gz OTABRZFGCUATCQ-SNVBAGLBSA-N 0 3 240.311 -0.758 20 0 BBADHN CN(C[C@H](O)CC(C)(C)O)C1(CO)CC1 ZINC000878609612 590595812 /nfs/dbraw/zinc/59/58/12/590595812.db2.gz GLCBZDJGMQUYMA-SECBINFHSA-N 0 3 217.309 -0.035 20 0 BBADHN CN(C[C@@H](O)CC(C)(C)O)C1(CO)CC1 ZINC000878609613 590595404 /nfs/dbraw/zinc/59/54/04/590595404.db2.gz GLCBZDJGMQUYMA-VIFPVBQESA-N 0 3 217.309 -0.035 20 0 BBADHN CN(CCc1nnnn1C)C1(CO)CC1 ZINC000878609763 590595712 /nfs/dbraw/zinc/59/57/12/590595712.db2.gz KKSBQZRNKOMUEG-UHFFFAOYSA-N 0 3 211.269 -0.791 20 0 BBADHN CN(CCC(N)=O)C[C@H](O)CC(C)(C)O ZINC000878611726 590596564 /nfs/dbraw/zinc/59/65/64/590596564.db2.gz BZWLCMGLEDSTQU-MRVPVSSYSA-N 0 3 218.297 -0.685 20 0 BBADHN CN(CCC(N)=O)C[C@@H](O)CC(C)(C)O ZINC000878611727 590596198 /nfs/dbraw/zinc/59/61/98/590596198.db2.gz BZWLCMGLEDSTQU-QMMMGPOBSA-N 0 3 218.297 -0.685 20 0 BBADHN CN(CCC(N)=O)C[C@@H](O)CC1(O)CCCC1 ZINC000878612540 590596312 /nfs/dbraw/zinc/59/63/12/590596312.db2.gz QGSWOPCMSDGWGB-JTQLQIEISA-N 0 3 244.335 -0.150 20 0 BBADHN CN(CCC(N)=O)C[C@H](O)CC1(O)CCCC1 ZINC000878612541 590596452 /nfs/dbraw/zinc/59/64/52/590596452.db2.gz QGSWOPCMSDGWGB-SNVBAGLBSA-N 0 3 244.335 -0.150 20 0 BBADHN CO[C@H](C)CN(C)CCc1nnnn1C ZINC000878613588 590596497 /nfs/dbraw/zinc/59/64/97/590596497.db2.gz RUTSIQKWIISYFK-MRVPVSSYSA-N 0 3 213.285 -0.281 20 0 BBADHN CO[C@@H](C)CN(C)CCc1nnnn1C ZINC000878613589 590596277 /nfs/dbraw/zinc/59/62/77/590596277.db2.gz RUTSIQKWIISYFK-QMMMGPOBSA-N 0 3 213.285 -0.281 20 0 BBADHN CCN(CCNC(=O)c1nnn(C)n1)C1CC1 ZINC000878621925 590597324 /nfs/dbraw/zinc/59/73/24/590597324.db2.gz QQSPSWIVKZVBBA-UHFFFAOYSA-N 0 3 238.295 -0.576 20 0 BBADHN Cn1nnnc1CCN1CC[C@@H](O)C1(C)C ZINC000878635418 590598451 /nfs/dbraw/zinc/59/84/51/590598451.db2.gz WZZAIVXTOJSEAY-MRVPVSSYSA-N 0 3 225.296 -0.402 20 0 BBADHN Cn1nnnc1CCN1CC[C@H](O)C1(C)C ZINC000878635420 590598388 /nfs/dbraw/zinc/59/83/88/590598388.db2.gz WZZAIVXTOJSEAY-QMMMGPOBSA-N 0 3 225.296 -0.402 20 0 BBADHN c1cnn([C@H]2CCN(CCn3cnnn3)C2)c1 ZINC000878636337 590598519 /nfs/dbraw/zinc/59/85/19/590598519.db2.gz GJRNTMPLSVHBSX-JTQLQIEISA-N 0 3 233.279 -0.183 20 0 BBADHN c1cnn([C@@H]2CCN(CCn3cnnn3)C2)c1 ZINC000878636338 590598103 /nfs/dbraw/zinc/59/81/03/590598103.db2.gz GJRNTMPLSVHBSX-SNVBAGLBSA-N 0 3 233.279 -0.183 20 0 BBADHN Cn1nnnc1CCN1CC[C@H](n2cccn2)C1 ZINC000878637217 590598762 /nfs/dbraw/zinc/59/87/62/590598762.db2.gz QREZJCHSQJRONZ-JTQLQIEISA-N 0 3 247.306 -0.104 20 0 BBADHN Cn1nnnc1CCN1CC[C@@H](n2cccn2)C1 ZINC000878637218 590598976 /nfs/dbraw/zinc/59/89/76/590598976.db2.gz QREZJCHSQJRONZ-SNVBAGLBSA-N 0 3 247.306 -0.104 20 0 BBADHN CCN(CCc1nnnn1C)[C@H](C)CO ZINC000878639209 590598757 /nfs/dbraw/zinc/59/87/57/590598757.db2.gz DLNZBPKQABJNJO-MRVPVSSYSA-N 0 3 213.285 -0.545 20 0 BBADHN COCCN(C)CCNC(=O)COC1CC1 ZINC000878643105 590600142 /nfs/dbraw/zinc/60/01/42/590600142.db2.gz BLLYBZXEMZHCEO-UHFFFAOYSA-N 0 3 230.308 -0.140 20 0 BBADHN CN(CCc1nnnn1C)C1(CO)CCC1 ZINC000878643135 590600196 /nfs/dbraw/zinc/60/01/96/590600196.db2.gz CQDGWAMGDPMAHP-UHFFFAOYSA-N 0 3 225.296 -0.401 20 0 BBADHN CN(CCn1cnnn1)C1(CO)CCC1 ZINC000878643764 590600432 /nfs/dbraw/zinc/60/04/32/590600432.db2.gz NUZYWJNYTQYBDO-UHFFFAOYSA-N 0 3 211.269 -0.480 20 0 BBADHN 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ZINC000878651724 590602267 /nfs/dbraw/zinc/60/22/67/590602267.db2.gz FTLYFVZOAZWVAD-QMMMGPOBSA-N 0 3 238.295 -0.624 20 0 BBADHN CCN(CCc1nnnn1C)[C@@H](C)CO ZINC000878653686 590602244 /nfs/dbraw/zinc/60/22/44/590602244.db2.gz DLNZBPKQABJNJO-QMMMGPOBSA-N 0 3 213.285 -0.545 20 0 BBADHN C[C@@H]1CN(CCc2nnnn2C)C[C@H](C)N1C ZINC000878654517 590603117 /nfs/dbraw/zinc/60/31/17/590603117.db2.gz UCZPQSGPZJTEGU-AOOOYVTPSA-N 0 3 238.339 -0.223 20 0 BBADHN C[C@@H]1CN(CCn2cnnn2)C[C@H](C)N1C ZINC000878654814 590602933 /nfs/dbraw/zinc/60/29/33/590602933.db2.gz XGLZKQFRWGZLJN-AOOOYVTPSA-N 0 3 224.312 -0.303 20 0 BBADHN CC[C@H]1CN(C)CCN1CCc1nnnn1C ZINC000878656157 590602947 /nfs/dbraw/zinc/60/29/47/590602947.db2.gz IDJYFYXUVSTWAC-JTQLQIEISA-N 0 3 238.339 -0.221 20 0 BBADHN CC[C@@H]1CN(C)CCN1CCc1nnnn1C ZINC000878656158 590603311 /nfs/dbraw/zinc/60/33/11/590603311.db2.gz IDJYFYXUVSTWAC-SNVBAGLBSA-N 0 3 238.339 -0.221 20 0 BBADHN Cn1nnnc1CCN1CCC[C@H](CO)CC1 ZINC000878656671 590602884 /nfs/dbraw/zinc/60/28/84/590602884.db2.gz VKXYNFMLMBUJOJ-JTQLQIEISA-N 0 3 239.323 -0.153 20 0 BBADHN Cn1nnnc1CCN1CCC[C@@H](CO)CC1 ZINC000878656672 590603296 /nfs/dbraw/zinc/60/32/96/590603296.db2.gz VKXYNFMLMBUJOJ-SNVBAGLBSA-N 0 3 239.323 -0.153 20 0 BBADHN CC[C@H]1CN(C)CCN1CCn1cnnn1 ZINC000878656777 590604172 /nfs/dbraw/zinc/60/41/72/590604172.db2.gz YDRGWJKEGUDGAO-JTQLQIEISA-N 0 3 224.312 -0.301 20 0 BBADHN CC[C@@H]1CN(C)CCN1CCn1cnnn1 ZINC000878656778 590603704 /nfs/dbraw/zinc/60/37/04/590603704.db2.gz YDRGWJKEGUDGAO-SNVBAGLBSA-N 0 3 224.312 -0.301 20 0 BBADHN Cn1nnnc1CCN1CCC[C@@H](O)CC1 ZINC000878657026 590603662 /nfs/dbraw/zinc/60/36/62/590603662.db2.gz DZYHHKBKBONPRK-SECBINFHSA-N 0 3 225.296 -0.401 20 0 BBADHN Cn1nnnc1CCN1CCC[C@H](O)CC1 ZINC000878657027 590603657 /nfs/dbraw/zinc/60/36/57/590603657.db2.gz DZYHHKBKBONPRK-VIFPVBQESA-N 0 3 225.296 -0.401 20 0 BBADHN CC[C@H](CO)N(C)CCc1nnnn1C ZINC000878658700 590596323 /nfs/dbraw/zinc/59/63/23/590596323.db2.gz DQEXFANJTJJPCH-MRVPVSSYSA-N 0 3 213.285 -0.545 20 0 BBADHN CC[C@@H](CO)N(C)CCc1nnnn1C ZINC000878658702 590597017 /nfs/dbraw/zinc/59/70/17/590597017.db2.gz DQEXFANJTJJPCH-QMMMGPOBSA-N 0 3 213.285 -0.545 20 0 BBADHN CN(C)[C@@H]1CCCN(C(=O)c2nnn(C)n2)C1 ZINC000878664365 590605623 /nfs/dbraw/zinc/60/56/23/590605623.db2.gz GLWRQMCHUWGLGV-MRVPVSSYSA-N 0 3 238.295 -0.624 20 0 BBADHN CN(C)[C@H]1CCCN(C(=O)c2nnn(C)n2)C1 ZINC000878664366 590606188 /nfs/dbraw/zinc/60/61/88/590606188.db2.gz GLWRQMCHUWGLGV-QMMMGPOBSA-N 0 3 238.295 -0.624 20 0 BBADHN CN(CCc1nnnn1C)CC(C)(C)CO ZINC000878664473 590606087 /nfs/dbraw/zinc/60/60/87/590606087.db2.gz JELBLIIYZWVQKT-UHFFFAOYSA-N 0 3 227.312 -0.297 20 0 BBADHN CN(CCn1cnnn1)CC(C)(C)CO ZINC000878664851 590606041 /nfs/dbraw/zinc/60/60/41/590606041.db2.gz POWMGGNVSGEAKZ-UHFFFAOYSA-N 0 3 213.285 -0.377 20 0 BBADHN OCC(CO)NC[C@H](O)CC1(CO)CCCC1 ZINC000878669814 590606744 /nfs/dbraw/zinc/60/67/44/590606744.db2.gz CPKIUYXPWRXTNG-LLVKDONJSA-N 0 3 247.335 -0.767 20 0 BBADHN OCC(CO)NC[C@@H](O)CC1(CO)CCCC1 ZINC000878669819 590606726 /nfs/dbraw/zinc/60/67/26/590606726.db2.gz CPKIUYXPWRXTNG-NSHDSACASA-N 0 3 247.335 -0.767 20 0 BBADHN OCC(CO)NC[C@H](O)CC1(O)CCCCC1 ZINC000878670386 590607054 /nfs/dbraw/zinc/60/70/54/590607054.db2.gz JSHXITWPEIVSRE-LLVKDONJSA-N 0 3 247.335 -0.625 20 0 BBADHN OCC(CO)NC[C@@H](O)CC1(O)CCCCC1 ZINC000878670387 590606546 /nfs/dbraw/zinc/60/65/46/590606546.db2.gz JSHXITWPEIVSRE-NSHDSACASA-N 0 3 247.335 -0.625 20 0 BBADHN OCC(CO)NC[C@@H]1CC2(CCC2)CO1 ZINC000878670416 590606885 /nfs/dbraw/zinc/60/68/85/590606885.db2.gz LCXCMRNOEBVVQZ-JTQLQIEISA-N 0 3 215.293 -0.112 20 0 BBADHN OCC(CO)NC[C@H]1CC2(CCC2)CO1 ZINC000878670417 590606907 /nfs/dbraw/zinc/60/69/07/590606907.db2.gz LCXCMRNOEBVVQZ-SNVBAGLBSA-N 0 3 215.293 -0.112 20 0 BBADHN C[C@@H]1[C@H](O)CCCN1CCc1nnnn1C ZINC000878670427 583391319 /nfs/dbraw/zinc/39/13/19/583391319.db2.gz LIXHTOICPMJXMR-RKDXNWHRSA-N 0 3 225.296 -0.402 20 0 BBADHN OCC(CO)NC[C@H]1CCC2(CCOCC2)O1 ZINC000878670828 590607557 /nfs/dbraw/zinc/60/75/57/590607557.db2.gz ROBGIONAYGMZQT-LLVKDONJSA-N 0 3 245.319 -0.343 20 0 BBADHN OCC(CO)NC[C@@H]1CCC2(CCOCC2)O1 ZINC000878670829 590607583 /nfs/dbraw/zinc/60/75/83/590607583.db2.gz ROBGIONAYGMZQT-NSHDSACASA-N 0 3 245.319 -0.343 20 0 BBADHN CO[C@@H]1CN(C[C@@H](O)CC(C)(C)O)C[C@H]1O ZINC000878682649 590609334 /nfs/dbraw/zinc/60/93/34/590609334.db2.gz QBFYBBIHJVHCSI-IVZWLZJFSA-N 0 3 233.308 -0.800 20 0 BBADHN CO[C@@H]1CN(C[C@H](O)CC(C)(C)O)C[C@H]1O ZINC000878682650 590609111 /nfs/dbraw/zinc/60/91/11/590609111.db2.gz QBFYBBIHJVHCSI-OPRDCNLKSA-N 0 3 233.308 -0.800 20 0 BBADHN C[C@@H]1[C@H](O)CCN1C[C@@H](O)CC(C)(C)O ZINC000878684341 590609587 /nfs/dbraw/zinc/60/95/87/590609587.db2.gz GPIRRBLCJXHFOM-KXUCPTDWSA-N 0 3 217.309 -0.037 20 0 BBADHN C[C@@H]1[C@H](O)CCN1C[C@H](O)CC(C)(C)O ZINC000878684342 590609558 /nfs/dbraw/zinc/60/95/58/590609558.db2.gz GPIRRBLCJXHFOM-OPRDCNLKSA-N 0 3 217.309 -0.037 20 0 BBADHN C[C@@H]1[C@H](O)CCN1CCc1nnnn1C ZINC000878685152 590609642 /nfs/dbraw/zinc/60/96/42/590609642.db2.gz RJXCGAMPAQVWHN-HTQZYQBOSA-N 0 3 211.269 -0.792 20 0 BBADHN C[C@@H]1[C@H](O)CCN1CCN1CCOC1=O ZINC000878685753 590609570 /nfs/dbraw/zinc/60/95/70/590609570.db2.gz ZTWMPMSQAFYIPP-RKDXNWHRSA-N 0 3 214.265 -0.106 20 0 BBADHN CCO[C@@H]1COC[C@H]1NCCc1nnnn1C ZINC000878688397 590610084 /nfs/dbraw/zinc/61/00/84/590610084.db2.gz DVRSTQJEXIOHMY-RKDXNWHRSA-N 0 3 241.295 -0.854 20 0 BBADHN CCO[C@@H]1COC[C@H]1NCCn1cnnn1 ZINC000878688749 590609913 /nfs/dbraw/zinc/60/99/13/590609913.db2.gz PYAFUBDJPBIMFA-RKDXNWHRSA-N 0 3 227.268 -0.933 20 0 BBADHN C[C@H](CNC(=O)c1nnn(C)n1)N(C)C1CC1 ZINC000878689026 590609775 /nfs/dbraw/zinc/60/97/75/590609775.db2.gz YJUVCLLAQZRMAP-SSDOTTSWSA-N 0 3 238.295 -0.577 20 0 BBADHN C[C@@H](CNC(=O)c1nnn(C)n1)N(C)C1CC1 ZINC000878689027 590610012 /nfs/dbraw/zinc/61/00/12/590610012.db2.gz YJUVCLLAQZRMAP-ZETCQYMHSA-N 0 3 238.295 -0.577 20 0 BBADHN C[C@@H]1C[C@H](O)CN(CCc2nnnn2C)C1 ZINC000878692071 590610380 /nfs/dbraw/zinc/61/03/80/590610380.db2.gz VWRLRVJKYRQGMF-BDAKNGLRSA-N 0 3 225.296 -0.545 20 0 BBADHN CO[C@H]1C[C@@H](CN2CCOC[C@@H]2CC(N)=O)C1 ZINC000878693468 590610190 /nfs/dbraw/zinc/61/01/90/590610190.db2.gz VVVBQCYWMXJIOQ-GARJFASQSA-N 0 3 242.319 -0.012 20 0 BBADHN CO[C@H]1C[C@@H](CN2CCOC[C@H]2CC(N)=O)C1 ZINC000878693469 590610199 /nfs/dbraw/zinc/61/01/99/590610199.db2.gz VVVBQCYWMXJIOQ-MXWKQRLJSA-N 0 3 242.319 -0.012 20 0 BBADHN CCNC(=O)C(C)(C)NCCc1nnnn1C ZINC000878698581 590611702 /nfs/dbraw/zinc/61/17/02/590611702.db2.gz SVRIBOVZVFCCEA-UHFFFAOYSA-N 0 3 240.311 -0.743 20 0 BBADHN CC(C)OC(=O)CCN1C[C@H](CO)[C@H](O)C1 ZINC000878702651 590611823 /nfs/dbraw/zinc/61/18/23/590611823.db2.gz JTEUABCUQQXFDF-NXEZZACHSA-N 0 3 231.292 -0.387 20 0 BBADHN CC(C)OC(=O)CCN1C[C@H](O)[C@H](CO)C1 ZINC000878702653 590612023 /nfs/dbraw/zinc/61/20/23/590612023.db2.gz JTEUABCUQQXFDF-UWVGGRQHSA-N 0 3 231.292 -0.387 20 0 BBADHN CC(C)OC(=O)CCN1C[C@@H](O)[C@H](CO)C1 ZINC000878702655 590611849 /nfs/dbraw/zinc/61/18/49/590611849.db2.gz JTEUABCUQQXFDF-VHSXEESVSA-N 0 3 231.292 -0.387 20 0 BBADHN CC(C)OC(=O)CCN1C[C@H](O)[C@@H](CO)C1 ZINC000878702657 590611921 /nfs/dbraw/zinc/61/19/21/590611921.db2.gz JTEUABCUQQXFDF-ZJUUUORDSA-N 0 3 231.292 -0.387 20 0 BBADHN c1nnnn1CCN1CCC[C@@H]2COC[C@@H]21 ZINC000878703447 590612472 /nfs/dbraw/zinc/61/24/72/590612472.db2.gz ILKJQPSRBYOWNV-ZJUUUORDSA-N 0 3 223.280 -0.216 20 0 BBADHN Cn1nnnc1CCN1CCC[C@@H]2COC[C@@H]21 ZINC000878704113 590612327 /nfs/dbraw/zinc/61/23/27/590612327.db2.gz PJHYTSFSXYEGIC-ZJUUUORDSA-N 0 3 237.307 -0.137 20 0 BBADHN c1nnnn1CCN1C[C@@H]2C[C@H]1CS2 ZINC000878705572 590613139 /nfs/dbraw/zinc/61/31/39/590613139.db2.gz ARMLDBHSYBTAKO-YUMQZZPRSA-N 0 3 211.294 -0.137 20 0 BBADHN CO[C@@H]1COC[C@@H]1NCCN1CCOC1=O ZINC000878706217 590613082 /nfs/dbraw/zinc/61/30/82/590613082.db2.gz TUGKVVQFBTWTBM-DTWKUNHWSA-N 0 3 230.264 -0.558 20 0 BBADHN CN(C)C(=O)[C@@H]1CCN(CCn2cnnn2)C1 ZINC000878709627 590614051 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/nfs/dbraw/zinc/61/45/33/590614533.db2.gz XMTQMKAENPQYEB-VIFPVBQESA-N 0 3 248.294 -0.411 20 0 BBADHN Cc1nc([C@H]2CCN(CCn3cnnn3)C2)n[nH]1 ZINC000878712361 590614532 /nfs/dbraw/zinc/61/45/32/590614532.db2.gz XMTQMKAENPQYEB-VIFPVBQESA-N 0 3 248.294 -0.411 20 0 BBADHN C[C@@H]1[C@@H](CO)CCCN1CCc1nnnn1C ZINC000878713725 583397766 /nfs/dbraw/zinc/39/77/66/583397766.db2.gz AOOBLCXTNDJAKH-NXEZZACHSA-N 0 3 239.323 -0.155 20 0 BBADHN C[C@H]1[C@H](CO)CCCN1CCc1nnnn1C ZINC000878713726 583397848 /nfs/dbraw/zinc/39/78/48/583397848.db2.gz AOOBLCXTNDJAKH-UWVGGRQHSA-N 0 3 239.323 -0.155 20 0 BBADHN C[C@H]1[C@@H](CO)CCCN1CCc1nnnn1C ZINC000878713727 583397828 /nfs/dbraw/zinc/39/78/28/583397828.db2.gz AOOBLCXTNDJAKH-VHSXEESVSA-N 0 3 239.323 -0.155 20 0 BBADHN C[C@@H]1[C@H](CO)CCCN1CCc1nnnn1C ZINC000878713728 583397794 /nfs/dbraw/zinc/39/77/94/583397794.db2.gz AOOBLCXTNDJAKH-ZJUUUORDSA-N 0 3 239.323 -0.155 20 0 BBADHN C[C@@H]1[C@@H](CO)CCCN1CCn1cnnn1 ZINC000878714661 590614477 /nfs/dbraw/zinc/61/44/77/590614477.db2.gz VNCFVTPPVDDLKF-NXEZZACHSA-N 0 3 225.296 -0.234 20 0 BBADHN C[C@H]1[C@H](CO)CCCN1CCn1cnnn1 ZINC000878714662 590614769 /nfs/dbraw/zinc/61/47/69/590614769.db2.gz VNCFVTPPVDDLKF-UWVGGRQHSA-N 0 3 225.296 -0.234 20 0 BBADHN C[C@H]1[C@@H](CO)CCCN1CCn1cnnn1 ZINC000878714663 590614375 /nfs/dbraw/zinc/61/43/75/590614375.db2.gz VNCFVTPPVDDLKF-VHSXEESVSA-N 0 3 225.296 -0.234 20 0 BBADHN C[C@@H]1[C@H](CO)CCCN1CCn1cnnn1 ZINC000878714664 590614325 /nfs/dbraw/zinc/61/43/25/590614325.db2.gz VNCFVTPPVDDLKF-ZJUUUORDSA-N 0 3 225.296 -0.234 20 0 BBADHN C[C@@H]1C[C@@H](CO)CN(CCc2nnnn2C)C1 ZINC000878720015 590615832 /nfs/dbraw/zinc/61/58/32/590615832.db2.gz KHSUWJYNMFBWIT-NXEZZACHSA-N 0 3 239.323 -0.297 20 0 BBADHN C[C@H]1C[C@H](CO)CN(CCc2nnnn2C)C1 ZINC000878720016 590615734 /nfs/dbraw/zinc/61/57/34/590615734.db2.gz KHSUWJYNMFBWIT-UWVGGRQHSA-N 0 3 239.323 -0.297 20 0 BBADHN C[C@H]1C[C@@H](CO)CN(CCc2nnnn2C)C1 ZINC000878720017 590616222 /nfs/dbraw/zinc/61/62/22/590616222.db2.gz KHSUWJYNMFBWIT-VHSXEESVSA-N 0 3 239.323 -0.297 20 0 BBADHN C[C@@H]1C[C@H](CO)CN(CCc2nnnn2C)C1 ZINC000878720018 590615825 /nfs/dbraw/zinc/61/58/25/590615825.db2.gz KHSUWJYNMFBWIT-ZJUUUORDSA-N 0 3 239.323 -0.297 20 0 BBADHN CNC(=O)[C@@H]1CCN(Cc2ccnn2C)C1 ZINC000878720963 590616087 /nfs/dbraw/zinc/61/60/87/590616087.db2.gz RLITZORATQHCOD-SECBINFHSA-N 0 3 222.292 -0.012 20 0 BBADHN CNC(=O)[C@H]1CCN(Cc2ccnn2C)C1 ZINC000878720964 590616003 /nfs/dbraw/zinc/61/60/03/590616003.db2.gz RLITZORATQHCOD-VIFPVBQESA-N 0 3 222.292 -0.012 20 0 BBADHN CNC(=O)[C@@H]1CCN(CCN2CCOC2=O)C1 ZINC000878720968 590615763 /nfs/dbraw/zinc/61/57/63/590615763.db2.gz RNDWDNAKBRNYOR-SECBINFHSA-N 0 3 241.291 -0.494 20 0 BBADHN CNC(=O)[C@H]1CCN(CCN2CCOC2=O)C1 ZINC000878720969 590616204 /nfs/dbraw/zinc/61/62/04/590616204.db2.gz RNDWDNAKBRNYOR-VIFPVBQESA-N 0 3 241.291 -0.494 20 0 BBADHN CC(=O)N[C@@H]1CCN(C[C@H](O)CC(C)(C)O)C1 ZINC000878721386 590615760 /nfs/dbraw/zinc/61/57/60/590615760.db2.gz VIWCGHBCQDFHFT-GHMZBOCLSA-N 0 3 244.335 -0.281 20 0 BBADHN CC(=O)N[C@@H]1CCN(C[C@@H](O)CC(C)(C)O)C1 ZINC000878721387 590615971 /nfs/dbraw/zinc/61/59/71/590615971.db2.gz VIWCGHBCQDFHFT-MNOVXSKESA-N 0 3 244.335 -0.281 20 0 BBADHN CC(=O)N[C@H]1CCN(C[C@@H](O)CC(C)(C)O)C1 ZINC000878721388 590615789 /nfs/dbraw/zinc/61/57/89/590615789.db2.gz VIWCGHBCQDFHFT-QWRGUYRKSA-N 0 3 244.335 -0.281 20 0 BBADHN CC(=O)N[C@H]1CCN(C[C@H](O)CC(C)(C)O)C1 ZINC000878721389 590615884 /nfs/dbraw/zinc/61/58/84/590615884.db2.gz VIWCGHBCQDFHFT-WDEREUQCSA-N 0 3 244.335 -0.281 20 0 BBADHN C[C@@H]1CC[C@H](O)CN1CCc1nnnn1C ZINC000878722435 590616827 /nfs/dbraw/zinc/61/68/27/590616827.db2.gz USXPWXLNDWJOOK-BDAKNGLRSA-N 0 3 225.296 -0.402 20 0 BBADHN C[C@@H]1CC[C@@H](O)CN1CCc1nnnn1C ZINC000878722438 590616874 /nfs/dbraw/zinc/61/68/74/590616874.db2.gz USXPWXLNDWJOOK-RKDXNWHRSA-N 0 3 225.296 -0.402 20 0 BBADHN CN(CCN1CCCC1)C(=O)c1nnn(C)n1 ZINC000878722704 590616764 /nfs/dbraw/zinc/61/67/64/590616764.db2.gz CKHDKSYUFBZFLP-UHFFFAOYSA-N 0 3 238.295 -0.622 20 0 BBADHN c1nnnn1CCN1CC[C@@H]2OCC[C@@H]2C1 ZINC000878758877 590619292 /nfs/dbraw/zinc/61/92/92/590619292.db2.gz ANRJSPHGMCADEP-ZJUUUORDSA-N 0 3 223.280 -0.216 20 0 BBADHN Cn1nnnc1CCN1CC[C@@H]2OCC[C@@H]2C1 ZINC000878759231 590619378 /nfs/dbraw/zinc/61/93/78/590619378.db2.gz MXTZJLSDDOVXIU-ZJUUUORDSA-N 0 3 237.307 -0.137 20 0 BBADHN CC(=O)NCCN(C)C[C@@H](O)CC(C)(C)O ZINC000878762392 590619911 /nfs/dbraw/zinc/61/99/11/590619911.db2.gz ZSODXGCOWCIAGX-JTQLQIEISA-N 0 3 232.324 -0.424 20 0 BBADHN CC(=O)NCCN(C)C[C@H](O)CC(C)(C)O ZINC000878762393 590619669 /nfs/dbraw/zinc/61/96/69/590619669.db2.gz ZSODXGCOWCIAGX-SNVBAGLBSA-N 0 3 232.324 -0.424 20 0 BBADHN OC1(C2CCN(CCn3cnnn3)CC2)CC1 ZINC000878801205 590624985 /nfs/dbraw/zinc/62/49/85/590624985.db2.gz PNJMTZWHNKWDAV-UHFFFAOYSA-N 0 3 237.307 -0.090 20 0 BBADHN COC(=O)CC1(NCCn2cnnn2)CC1 ZINC000878803236 590625143 /nfs/dbraw/zinc/62/51/43/590625143.db2.gz DCWXNBDYZBTPJR-UHFFFAOYSA-N 0 3 225.252 -0.642 20 0 BBADHN COC(=O)CC1(NCCc2nnnn2C)CC1 ZINC000878804621 590625798 /nfs/dbraw/zinc/62/57/98/590625798.db2.gz XIYRRQPODSDPGA-UHFFFAOYSA-N 0 3 239.279 -0.562 20 0 BBADHN COC[C@@H]1C[C@@H](O)CN1C[C@@H](O)CC(C)(C)O ZINC000878805835 590625834 /nfs/dbraw/zinc/62/58/34/590625834.db2.gz UQFIQFKHXKLBBI-AXFHLTTASA-N 0 3 247.335 -0.410 20 0 BBADHN COC[C@H]1C[C@@H](O)CN1C[C@H](O)CC(C)(C)O ZINC000878805836 590625764 /nfs/dbraw/zinc/62/57/64/590625764.db2.gz UQFIQFKHXKLBBI-GMTAPVOTSA-N 0 3 247.335 -0.410 20 0 BBADHN COC[C@@H]1C[C@@H](O)CN1C[C@H](O)CC(C)(C)O ZINC000878805837 590625830 /nfs/dbraw/zinc/62/58/30/590625830.db2.gz UQFIQFKHXKLBBI-HBNTYKKESA-N 0 3 247.335 -0.410 20 0 BBADHN COC[C@H]1C[C@@H](O)CN1C[C@@H](O)CC(C)(C)O ZINC000878805838 590625399 /nfs/dbraw/zinc/62/53/99/590625399.db2.gz UQFIQFKHXKLBBI-MXWKQRLJSA-N 0 3 247.335 -0.410 20 0 BBADHN C[C@H](CCO)N(C)CCc1nnnn1C ZINC000878811694 590625976 /nfs/dbraw/zinc/62/59/76/590625976.db2.gz JAGHXOYPFJFLCW-MRVPVSSYSA-N 0 3 213.285 -0.545 20 0 BBADHN C[C@@H](CCO)N(C)CCc1nnnn1C ZINC000878811695 590626591 /nfs/dbraw/zinc/62/65/91/590626591.db2.gz JAGHXOYPFJFLCW-QMMMGPOBSA-N 0 3 213.285 -0.545 20 0 BBADHN Cn1nnnc1CCN1CCCCC[C@H]1CO ZINC000878820323 590627996 /nfs/dbraw/zinc/62/79/96/590627996.db2.gz KYSBRFFAAKPDRX-JTQLQIEISA-N 0 3 239.323 -0.011 20 0 BBADHN Cn1nnnc1CCN1CCCCC[C@@H]1CO ZINC000878820324 590628064 /nfs/dbraw/zinc/62/80/64/590628064.db2.gz KYSBRFFAAKPDRX-SNVBAGLBSA-N 0 3 239.323 -0.011 20 0 BBADHN CCCCN(C)CCNC(=O)c1nnn(C)n1 ZINC000878823250 590628932 /nfs/dbraw/zinc/62/89/32/590628932.db2.gz PCGUOBGKDLSZJU-UHFFFAOYSA-N 0 3 240.311 -0.328 20 0 BBADHN CC(C)[C@@H](O)CCN[C@]1(C(N)=O)CCOC1 ZINC000878846502 590632144 /nfs/dbraw/zinc/63/21/44/590632144.db2.gz KNKMTNSHJHELBG-GXSJLCMTSA-N 0 3 230.308 -0.373 20 0 BBADHN CC(C)[C@H](O)CCN[C@@]1(C(N)=O)CCOC1 ZINC000878846503 590631132 /nfs/dbraw/zinc/63/11/32/590631132.db2.gz KNKMTNSHJHELBG-KOLCDFICSA-N 0 3 230.308 -0.373 20 0 BBADHN CC(C)[C@H](O)CCN[C@]1(C(N)=O)CCOC1 ZINC000878846504 590632061 /nfs/dbraw/zinc/63/20/61/590632061.db2.gz KNKMTNSHJHELBG-MWLCHTKSSA-N 0 3 230.308 -0.373 20 0 BBADHN CC(C)[C@@H](O)CCN[C@@]1(C(N)=O)CCOC1 ZINC000878846505 590631435 /nfs/dbraw/zinc/63/14/35/590631435.db2.gz KNKMTNSHJHELBG-ONGXEEELSA-N 0 3 230.308 -0.373 20 0 BBADHN C[C@@H](O)CN(CCc1nnnn1C)C1CC1 ZINC000878848864 590633172 /nfs/dbraw/zinc/63/31/72/590633172.db2.gz CEMTWDQBHLUHKP-MRVPVSSYSA-N 0 3 225.296 -0.402 20 0 BBADHN C[C@H](O)CN(CCc1nnnn1C)C1CC1 ZINC000878848865 590632541 /nfs/dbraw/zinc/63/25/41/590632541.db2.gz CEMTWDQBHLUHKP-QMMMGPOBSA-N 0 3 225.296 -0.402 20 0 BBADHN CN(C)C[C@]1(O)CCCN(CC[S@@](C)=O)C1 ZINC000878866190 590634574 /nfs/dbraw/zinc/63/45/74/590634574.db2.gz RFHSGORTFMPINJ-BDJLRTHQSA-N 0 3 248.392 -0.247 20 0 BBADHN CN(C)C[C@]1(O)CCCN(CC[S@](C)=O)C1 ZINC000878866191 590634221 /nfs/dbraw/zinc/63/42/21/590634221.db2.gz RFHSGORTFMPINJ-BZNIZROVSA-N 0 3 248.392 -0.247 20 0 BBADHN CN(C)C[C@@]1(O)CCCN(CC[S@@](C)=O)C1 ZINC000878866192 590634301 /nfs/dbraw/zinc/63/43/01/590634301.db2.gz RFHSGORTFMPINJ-MEDUHNTESA-N 0 3 248.392 -0.247 20 0 BBADHN CN(C)C[C@@]1(O)CCCN(CC[S@](C)=O)C1 ZINC000878866193 590634109 /nfs/dbraw/zinc/63/41/09/590634109.db2.gz RFHSGORTFMPINJ-ZBEGNZNMSA-N 0 3 248.392 -0.247 20 0 BBADHN O=C1OCCN1CCN1[C@H](CO)CC[C@H]1CO ZINC000878881515 590638182 /nfs/dbraw/zinc/63/81/82/590638182.db2.gz YTMYETRXTXYTNI-UWVGGRQHSA-N 0 3 244.291 -0.744 20 0 BBADHN COC(CN1[C@@H](CO)CC[C@@H]1CO)OC ZINC000878881820 590637569 /nfs/dbraw/zinc/63/75/69/590637569.db2.gz QUNFFPMFCQACHV-RKDXNWHRSA-N 0 3 219.281 -0.577 20 0 BBADHN CC1(C)OC[C@@H](CN2[C@@H](CO)CC[C@@H]2CO)O1 ZINC000878881876 590637719 /nfs/dbraw/zinc/63/77/19/590637719.db2.gz SKNNRBROXHAGNB-GMTAPVOTSA-N 0 3 245.319 -0.045 20 0 BBADHN CC1(C)OC[C@H](CN2[C@@H](CO)CC[C@@H]2CO)O1 ZINC000878881877 590638795 /nfs/dbraw/zinc/63/87/95/590638795.db2.gz SKNNRBROXHAGNB-MXWKQRLJSA-N 0 3 245.319 -0.045 20 0 BBADHN O=C1OCC[C@@H]1CCN1[C@H](CO)CC[C@H]1CO ZINC000878882890 590639663 /nfs/dbraw/zinc/63/96/63/590639663.db2.gz OSHZUQSNVSQIAX-DCAQKATOSA-N 0 3 243.303 -0.243 20 0 BBADHN O=C1OCC[C@H]1CCN1[C@H](CO)CC[C@H]1CO ZINC000878882893 590639801 /nfs/dbraw/zinc/63/98/01/590639801.db2.gz OSHZUQSNVSQIAX-VWYCJHECSA-N 0 3 243.303 -0.243 20 0 BBADHN c1cn(C[C@H]2CCN(CCn3cnnn3)C2)nn1 ZINC000878886103 590640459 /nfs/dbraw/zinc/64/04/59/590640459.db2.gz AFJHUCYFVJWRQY-JTQLQIEISA-N 0 3 248.294 -0.713 20 0 BBADHN c1cn(C[C@@H]2CCN(CCn3cnnn3)C2)nn1 ZINC000878886104 590640894 /nfs/dbraw/zinc/64/08/94/590640894.db2.gz AFJHUCYFVJWRQY-SNVBAGLBSA-N 0 3 248.294 -0.713 20 0 BBADHN C[C@H]1CN(CCc2nnnn2C)C[C@H](C)C1O ZINC000878935186 590655736 /nfs/dbraw/zinc/65/57/36/590655736.db2.gz DYISGHKIHMGBLQ-IUCAKERBSA-N 0 3 239.323 -0.299 20 0 BBADHN C[C@@H]1CN(CCc2nnnn2C)C[C@H](C)[C@H]1O ZINC000878935187 590654619 /nfs/dbraw/zinc/65/46/19/590654619.db2.gz DYISGHKIHMGBLQ-JZYVYDRUSA-N 0 3 239.323 -0.299 20 0 BBADHN C[C@@H]1CN(CCc2nnnn2C)C[C@@H](C)C1O ZINC000878935188 590654977 /nfs/dbraw/zinc/65/49/77/590654977.db2.gz DYISGHKIHMGBLQ-RKDXNWHRSA-N 0 3 239.323 -0.299 20 0 BBADHN O[C@]1(C2CC2)CCCN(CCn2cnnn2)C1 ZINC000878935373 590655854 /nfs/dbraw/zinc/65/58/54/590655854.db2.gz AGKFXNPGYMJZCX-LLVKDONJSA-N 0 3 237.307 -0.090 20 0 BBADHN O[C@@]1(C2CC2)CCCN(CCn2cnnn2)C1 ZINC000878935374 590654690 /nfs/dbraw/zinc/65/46/90/590654690.db2.gz AGKFXNPGYMJZCX-NSHDSACASA-N 0 3 237.307 -0.090 20 0 BBADHN CN(C[C@H](O)CC(C)(C)O)C[C@@H]1COCCO1 ZINC000878935431 590654883 /nfs/dbraw/zinc/65/48/83/590654883.db2.gz JMTMWINOMVHNMS-GHMZBOCLSA-N 0 3 247.335 -0.145 20 0 BBADHN CN(C[C@H](O)CC(C)(C)O)C[C@H]1COCCO1 ZINC000878935439 590655139 /nfs/dbraw/zinc/65/51/39/590655139.db2.gz JMTMWINOMVHNMS-MNOVXSKESA-N 0 3 247.335 -0.145 20 0 BBADHN CN(C[C@@H](O)CC(C)(C)O)C[C@H]1COCCO1 ZINC000878935440 590654535 /nfs/dbraw/zinc/65/45/35/590654535.db2.gz JMTMWINOMVHNMS-QWRGUYRKSA-N 0 3 247.335 -0.145 20 0 BBADHN CN(C[C@@H](O)CC(C)(C)O)C[C@@H]1COCCO1 ZINC000878935442 590655637 /nfs/dbraw/zinc/65/56/37/590655637.db2.gz JMTMWINOMVHNMS-WDEREUQCSA-N 0 3 247.335 -0.145 20 0 BBADHN CN(CCn1cnnn1)CC1=CCCOC1 ZINC000878937241 590655766 /nfs/dbraw/zinc/65/57/66/590655766.db2.gz QPDUWPXXVMTZBM-UHFFFAOYSA-N 0 3 223.280 -0.048 20 0 BBADHN C[C@@H](CO)NC(=O)NCC1(N(C)C)CC1 ZINC000878946728 590658595 /nfs/dbraw/zinc/65/85/95/590658595.db2.gz DAHYIYXTRIIHDC-QMMMGPOBSA-N 0 3 215.297 -0.239 20 0 BBADHN O[C@]12C[C@H]1CN(CCn1cnnn1)CC2 ZINC000878948899 590659132 /nfs/dbraw/zinc/65/91/32/590659132.db2.gz GGTWBYUVCVIEMY-DTWKUNHWSA-N 0 3 209.253 -0.870 20 0 BBADHN CC(C)(O)C[C@@H](O)CN1CC[C@@]2(O)C[C@H]2C1 ZINC000878949578 590658115 /nfs/dbraw/zinc/65/81/15/590658115.db2.gz NJMANWICNXWWCA-HOSYDEDBSA-N 0 3 229.320 -0.035 20 0 BBADHN CC(C)(O)C[C@H](O)CN1CC[C@@]2(O)C[C@H]2C1 ZINC000878949584 590659004 /nfs/dbraw/zinc/65/90/04/590659004.db2.gz NJMANWICNXWWCA-JBLDHEPKSA-N 0 3 229.320 -0.035 20 0 BBADHN Cn1nnnc1CCN1C[C@H]2COC[C@@]2(C)C1 ZINC000878949860 590658804 /nfs/dbraw/zinc/65/88/04/590658804.db2.gz QFNUEIDMMJERNP-GXSJLCMTSA-N 0 3 237.307 -0.279 20 0 BBADHN Cn1nnnc1CCN1C[C@@H]2COC[C@]2(C)C1 ZINC000878949865 590658197 /nfs/dbraw/zinc/65/81/97/590658197.db2.gz QFNUEIDMMJERNP-KOLCDFICSA-N 0 3 237.307 -0.279 20 0 BBADHN Cn1nnnc1CCN1C[C@@H]2COC[C@@]2(C)C1 ZINC000878949868 590658920 /nfs/dbraw/zinc/65/89/20/590658920.db2.gz QFNUEIDMMJERNP-MWLCHTKSSA-N 0 3 237.307 -0.279 20 0 BBADHN Cn1nnnc1CCN1C[C@H]2COC[C@]2(C)C1 ZINC000878949869 590657872 /nfs/dbraw/zinc/65/78/72/590657872.db2.gz QFNUEIDMMJERNP-ONGXEEELSA-N 0 3 237.307 -0.279 20 0 BBADHN C[C@@]12COC[C@H]1CN(CCn1cnnn1)C2 ZINC000878950446 590658084 /nfs/dbraw/zinc/65/80/84/590658084.db2.gz XAWSWPJUKVMAHM-NXEZZACHSA-N 0 3 223.280 -0.359 20 0 BBADHN C[C@]12COC[C@@H]1CN(CCn1cnnn1)C2 ZINC000878950448 590658695 /nfs/dbraw/zinc/65/86/95/590658695.db2.gz XAWSWPJUKVMAHM-UWVGGRQHSA-N 0 3 223.280 -0.359 20 0 BBADHN C[C@@]12COC[C@@H]1CN(CCn1cnnn1)C2 ZINC000878950450 590655792 /nfs/dbraw/zinc/65/57/92/590655792.db2.gz XAWSWPJUKVMAHM-VHSXEESVSA-N 0 3 223.280 -0.359 20 0 BBADHN C[C@]12COC[C@H]1CN(CCn1cnnn1)C2 ZINC000878950452 590655833 /nfs/dbraw/zinc/65/58/33/590655833.db2.gz XAWSWPJUKVMAHM-ZJUUUORDSA-N 0 3 223.280 -0.359 20 0 BBADHN C[C@H](O)[C@H]1CCCN1CCc1nnnn1C ZINC000878951746 590660261 /nfs/dbraw/zinc/66/02/61/590660261.db2.gz NFDTXAPDAAFNCC-DTWKUNHWSA-N 0 3 225.296 -0.402 20 0 BBADHN C[C@@H](O)[C@H]1CCCN1CCc1nnnn1C ZINC000878951747 590660134 /nfs/dbraw/zinc/66/01/34/590660134.db2.gz NFDTXAPDAAFNCC-RKDXNWHRSA-N 0 3 225.296 -0.402 20 0 BBADHN C[C@H](O)[C@H]1CCCN1CCn1cnnn1 ZINC000878951803 590660995 /nfs/dbraw/zinc/66/09/95/590660995.db2.gz OLPFCOWVKFVTIC-DTWKUNHWSA-N 0 3 211.269 -0.482 20 0 BBADHN C[C@@H](O)[C@H]1CCCN1CCn1cnnn1 ZINC000878951804 590660380 /nfs/dbraw/zinc/66/03/80/590660380.db2.gz OLPFCOWVKFVTIC-RKDXNWHRSA-N 0 3 211.269 -0.482 20 0 BBADHN CC(C)[C@@H](CN(C)C)NC(=O)c1nnn(C)n1 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/nfs/dbraw/zinc/67/24/08/590672408.db2.gz YVRGUECSFGTVBA-ZJUUUORDSA-N 0 3 223.280 -0.359 20 0 BBADHN CON(C)C(=O)CCN1CCN(C)C[C@H]1CO ZINC000879001397 590675797 /nfs/dbraw/zinc/67/57/97/590675797.db2.gz VZNMKYYNWPIZQQ-JTQLQIEISA-N 0 3 245.323 -0.995 20 0 BBADHN CON(C)C(=O)CCN1CCN(C)C[C@@H]1CO ZINC000879001398 590674964 /nfs/dbraw/zinc/67/49/64/590674964.db2.gz VZNMKYYNWPIZQQ-SNVBAGLBSA-N 0 3 245.323 -0.995 20 0 BBADHN CN(C)C1(CNC(=O)N=c2nc[nH]n2C)CC1 ZINC000879003451 590675977 /nfs/dbraw/zinc/67/59/77/590675977.db2.gz IVTPSYIFFRRTJG-UHFFFAOYSA-N 0 3 238.295 -0.547 20 0 BBADHN C[C@@H]1CCN(CCc2nnnn2C)C[C@@H]1CO ZINC000879020206 590680300 /nfs/dbraw/zinc/68/03/00/590680300.db2.gz JYAUZDPQCGOYRC-NXEZZACHSA-N 0 3 239.323 -0.297 20 0 BBADHN C[C@H]1CCN(CCc2nnnn2C)C[C@H]1CO ZINC000879020209 590679973 /nfs/dbraw/zinc/67/99/73/590679973.db2.gz JYAUZDPQCGOYRC-UWVGGRQHSA-N 0 3 239.323 -0.297 20 0 BBADHN C[C@H]1CCN(CCc2nnnn2C)C[C@@H]1CO ZINC000879020211 590679432 /nfs/dbraw/zinc/67/94/32/590679432.db2.gz JYAUZDPQCGOYRC-VHSXEESVSA-N 0 3 239.323 -0.297 20 0 BBADHN C[C@@H]1CCN(CCc2nnnn2C)C[C@H]1CO ZINC000879020214 590679880 /nfs/dbraw/zinc/67/98/80/590679880.db2.gz JYAUZDPQCGOYRC-ZJUUUORDSA-N 0 3 239.323 -0.297 20 0 BBADHN CN(CCn1cnnn1)CC1(C)COC1 ZINC000879035053 590682347 /nfs/dbraw/zinc/68/23/47/590682347.db2.gz NXSVLYFSSQLWHU-UHFFFAOYSA-N 0 3 211.269 -0.359 20 0 BBADHN NC(=O)[C@@H](F)C1CCN(CCOCCO)CC1 ZINC000879040773 590683733 /nfs/dbraw/zinc/68/37/33/590683733.db2.gz HMRDSYNDGCLFEV-JTQLQIEISA-N 0 3 248.298 -0.469 20 0 BBADHN NC(=O)[C@H](F)C1CCN(CCOCCO)CC1 ZINC000879040774 590683876 /nfs/dbraw/zinc/68/38/76/590683876.db2.gz HMRDSYNDGCLFEV-SNVBAGLBSA-N 0 3 248.298 -0.469 20 0 BBADHN COC[C@H](O)CN1CCC([C@@H](F)C(N)=O)CC1 ZINC000879042522 590685530 /nfs/dbraw/zinc/68/55/30/590685530.db2.gz RDWKFWDMWXVWEL-NXEZZACHSA-N 0 3 248.298 -0.471 20 0 BBADHN COC[C@@H](O)CN1CCC([C@H](F)C(N)=O)CC1 ZINC000879042524 590685608 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