smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cn1cnc2c1c(=O)n(CCCOC(=O)C1CC[C@@H](C(F)(F)F)NC1=O)c(=O)n2C ZINC000031360756 1073498610 /nfs/dbraw/zinc/49/86/10/1073498610.db2.gz RTHSOTSNKQKMNL-ZJUUUORDSA-N 0 3 431.371 -0.176 20 0 IBADHN Cn1cnc2c1c(=O)n(CCCOC(=O)C1CC[C@@H](C(F)(F)F)NC1=O)c(=O)n2C ZINC000031360757 1073498534 /nfs/dbraw/zinc/49/85/34/1073498534.db2.gz RTHSOTSNKQKMNL-UWVGGRQHSA-N 0 3 431.371 -0.176 20 0 IBADHN Cn1cnc2c1c(=O)n(CCCOC(=O)C1CC[C@H](C(F)(F)F)NC1=O)c(=O)n2C ZINC000031360758 1073498562 /nfs/dbraw/zinc/49/85/62/1073498562.db2.gz RTHSOTSNKQKMNL-NXEZZACHSA-N 0 3 431.371 -0.176 20 0 IBADHN Cn1cnc2c1c(=O)n(CCCOC(=O)C1CC[C@H](C(F)(F)F)NC1=O)c(=O)n2C ZINC000031360759 1073498619 /nfs/dbraw/zinc/49/86/19/1073498619.db2.gz RTHSOTSNKQKMNL-VHSXEESVSA-N 0 3 431.371 -0.176 20 0 IBADHN CN(C)CCn1c(=O)oc2ccc(NC(=O)Cn3c(=O)c4c(ncn4C)n(C)c3=O)cc21 ZINC000058739389 1073109073 /nfs/dbraw/zinc/10/90/73/1073109073.db2.gz MBMLVFPFPHIOHS-UHFFFAOYSA-N 0 3 441.448 -0.458 20 0 IBADHN CN(C)CCn1c2cc(NC(=O)C(=O)NCCCN(C)S(C)(=O)=O)ccc2oc1=O ZINC000060617212 1070985353 /nfs/dbraw/zinc/98/53/53/1070985353.db2.gz ZYULQFXOPKOTDC-UHFFFAOYSA-N 0 3 441.510 -0.508 20 0 IBADHN CN(C)CCn1c2cc(NC(=O)C(=O)N3CCN(S(C)(=O)=O)CC3)ccc2oc1=O ZINC000060629191 1073110292 /nfs/dbraw/zinc/11/02/92/1073110292.db2.gz ISXPIDDOBZRRCQ-UHFFFAOYSA-N 0 3 439.494 -0.802 20 0 IBADHN CCNC(=O)CN1CCN(C(=O)C(=O)Nc2ccc3oc(=O)n(CCN(C)C)c3c2)CC1 ZINC000060631058 1073110277 /nfs/dbraw/zinc/11/02/77/1073110277.db2.gz FAZBWVXCEDTYKK-UHFFFAOYSA-N 0 3 446.508 -0.625 20 0 IBADHN CN(C)CCn1c2cc(NC(=O)C(=O)N3CCN(C(=O)N(C)C)CC3)ccc2oc1=O ZINC000060632674 1073110188 /nfs/dbraw/zinc/11/01/88/1073110188.db2.gz FUDYECBJLZKCAQ-UHFFFAOYSA-N 0 3 432.481 -0.080 20 0 IBADHN CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NC[C@@H]2CN3CCC[C@H]3CO2)c1 ZINC000061650452 1073127771 /nfs/dbraw/zinc/12/77/71/1073127771.db2.gz ZJPNECMWZMRQCT-JKSUJKDBSA-N 0 3 426.539 -0.142 20 0 IBADHN CCN1CCN([C@H](C)CNC(=O)C(=O)Nc2ccc(S(=O)(=O)N(C)OC)cc2)CC1 ZINC000062111716 1072342678 /nfs/dbraw/zinc/34/26/78/1072342678.db2.gz YZXXUUXJJVNKKZ-OAHLLOKOSA-N 0 3 441.554 -0.051 20 0 IBADHN CCN1CCN(CCNC(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)c(Cl)c2)CC1 ZINC000062122696 1072347188 /nfs/dbraw/zinc/34/71/88/1072347188.db2.gz XEYYNGZPWKQVJZ-UHFFFAOYSA-N 0 3 436.944 -0.032 20 0 IBADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)NCCNS(=O)(=O)CC)cc2)CC1 ZINC000062197391 1073113623 /nfs/dbraw/zinc/11/36/23/1073113623.db2.gz LLMRHWYZXXIKFH-UHFFFAOYSA-N 0 3 425.555 -0.182 20 0 IBADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)NCCCNS(C)(=O)=O)cc2)CC1 ZINC000062205019 1072603229 /nfs/dbraw/zinc/60/32/29/1072603229.db2.gz OMAAUEBHOYVZEA-UHFFFAOYSA-N 0 3 425.555 -0.182 20 0 IBADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)NCCN3CCCS3(=O)=O)cc2)CC1 ZINC000064297041 1073115872 /nfs/dbraw/zinc/11/58/72/1073115872.db2.gz SMNZFKIRTTVQFG-UHFFFAOYSA-N 0 3 437.566 -0.086 20 0 IBADHN CCS(=O)(=O)NCCCNC(=O)C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1 ZINC000065401589 1073119313 /nfs/dbraw/zinc/11/93/13/1073119313.db2.gz APFGVNILBXWVAS-UHFFFAOYSA-N 0 3 441.510 -0.460 20 0 IBADHN CN1CCN(CCCCNC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)CC1 ZINC000106157577 1071406022 /nfs/dbraw/zinc/40/60/22/1071406022.db2.gz BAADHXJSEZGMKZ-UHFFFAOYSA-N 0 3 437.566 -0.436 20 0 IBADHN CN1CCN(CCCCNC(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)CC1 ZINC000106157902 1071406035 /nfs/dbraw/zinc/40/60/35/1071406035.db2.gz CJZMVITUFIEWKF-UHFFFAOYSA-N 0 3 437.566 -0.436 20 0 IBADHN CCN1CCN(CCCNC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)CC1 ZINC000106172249 1071064763 /nfs/dbraw/zinc/06/47/63/1071064763.db2.gz BALALFHPIJCOBD-UHFFFAOYSA-N 0 3 437.566 -0.436 20 0 IBADHN CCN1CCN(CCCNC(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)CC1 ZINC000106172753 1073002202 /nfs/dbraw/zinc/00/22/02/1073002202.db2.gz DODZYUQZDKONPG-UHFFFAOYSA-N 0 3 437.566 -0.436 20 0 IBADHN Cn1cnc2c1c(=O)n(CC(=O)NCc1ccc(CN3CCN(C)CC3)cc1)c(=O)n2C ZINC000108134873 1073140944 /nfs/dbraw/zinc/14/09/44/1073140944.db2.gz SMQJVPGKYWZTDC-UHFFFAOYSA-N 0 3 439.520 -0.503 20 0 IBADHN CCN1CCN(CCCNC(=O)CNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)CC1 ZINC000109113055 1070820416 /nfs/dbraw/zinc/82/04/16/1070820416.db2.gz QHQHERGNNSFFEK-UHFFFAOYSA-N 0 3 439.582 -0.190 20 0 IBADHN CN1CCN(Cc2ccc(CNC(=O)CCc3nc4c([nH]3)n(C)c(=O)[nH]c4=O)cc2)CC1 ZINC000109413391 1070840488 /nfs/dbraw/zinc/84/04/88/1070840488.db2.gz AEECTDMOFVACLG-UHFFFAOYSA-N 0 3 439.520 -0.054 20 0 IBADHN CS(=O)(=O)NC[C@@H]1CCCN(CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)C1 ZINC000110179070 1074420464 /nfs/dbraw/zinc/42/04/64/1074420464.db2.gz NATAJGZVLMNDLT-AWEZNQCLSA-N 0 3 429.543 -0.076 20 0 IBADHN CS(=O)(=O)NC[C@H]1CCCN(CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)C1 ZINC000110179072 1074420363 /nfs/dbraw/zinc/42/03/63/1074420363.db2.gz NATAJGZVLMNDLT-CQSZACIVSA-N 0 3 429.543 -0.076 20 0 IBADHN CN1CCN(Cc2cccc(CNC(=O)CCc3nc4c([nH]3)n(C)c(=O)[nH]c4=O)c2)CC1 ZINC000110810029 1074210758 /nfs/dbraw/zinc/21/07/58/1074210758.db2.gz VGDGMYOBIPJZLS-UHFFFAOYSA-N 0 3 439.520 -0.054 20 0 IBADHN Cn1cnc2c1c(=O)n(CC(=O)NCc1cccc(CN3CCN(C)CC3)c1)c(=O)n2C ZINC000110813319 1074213097 /nfs/dbraw/zinc/21/30/97/1074213097.db2.gz XLRINQTWHKLJFG-UHFFFAOYSA-N 0 3 439.520 -0.503 20 0 IBADHN NC(=O)[C@H]1CCCN(CCCNS(=O)(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)C1 ZINC000110846271 1073154667 /nfs/dbraw/zinc/15/46/67/1073154667.db2.gz YGYGQOLOJRYBQM-AWEZNQCLSA-N 0 3 444.579 -0.007 20 0 IBADHN NC(=O)[C@@H]1CCCN(CCCNS(=O)(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)C1 ZINC000110846275 1073154691 /nfs/dbraw/zinc/15/46/91/1073154691.db2.gz YGYGQOLOJRYBQM-CQSZACIVSA-N 0 3 444.579 -0.007 20 0 IBADHN COCCn1c(N)c(C(=O)CN2CCC(CN3C[C@@H](C)O[C@@H](C)C3)CC2)c(=O)[nH]c1=O ZINC000110990862 1072149750 /nfs/dbraw/zinc/14/97/50/1072149750.db2.gz VLGYLKJHDQLQOF-GASCZTMLSA-N 0 3 437.541 -0.231 20 0 IBADHN COCCn1c(N)c(C(=O)CN2CCC(CN3C[C@H](C)O[C@@H](C)C3)CC2)c(=O)[nH]c1=O ZINC000110990865 1072149772 /nfs/dbraw/zinc/14/97/72/1072149772.db2.gz VLGYLKJHDQLQOF-GJZGRUSLSA-N 0 3 437.541 -0.231 20 0 IBADHN COCCn1c(N)c(C(=O)CN2CCC(CN3C[C@@H](C)O[C@H](C)C3)CC2)c(=O)[nH]c1=O ZINC000110990867 1072149791 /nfs/dbraw/zinc/14/97/91/1072149791.db2.gz VLGYLKJHDQLQOF-HUUCEWRRSA-N 0 3 437.541 -0.231 20 0 IBADHN CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)c1cc(S(=O)(=O)N2CCOCC2)c[n-]1 ZINC000116621504 1072957451 /nfs/dbraw/zinc/95/74/51/1072957451.db2.gz KOQIRGSKEYYLIW-KRWDZBQOSA-N 0 3 441.554 -0.292 20 0 IBADHN CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)c1cc(S(=O)(=O)N2CCOCC2)c[n-]1 ZINC000116621504 1072957438 /nfs/dbraw/zinc/95/74/38/1072957438.db2.gz KOQIRGSKEYYLIW-KRWDZBQOSA-N 0 3 441.554 -0.292 20 0 IBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1 ZINC000116621504 1072957428 /nfs/dbraw/zinc/95/74/28/1072957428.db2.gz KOQIRGSKEYYLIW-KRWDZBQOSA-N 0 3 441.554 -0.292 20 0 IBADHN CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)c1cc(S(=O)(=O)N2CCOCC2)c[n-]1 ZINC000116621507 1072957590 /nfs/dbraw/zinc/95/75/90/1072957590.db2.gz KOQIRGSKEYYLIW-QGZVFWFLSA-N 0 3 441.554 -0.292 20 0 IBADHN CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)c1cc(S(=O)(=O)N2CCOCC2)c[n-]1 ZINC000116621507 1072957585 /nfs/dbraw/zinc/95/75/85/1072957585.db2.gz KOQIRGSKEYYLIW-QGZVFWFLSA-N 0 3 441.554 -0.292 20 0 IBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1 ZINC000116621507 1072957580 /nfs/dbraw/zinc/95/75/80/1072957580.db2.gz KOQIRGSKEYYLIW-QGZVFWFLSA-N 0 3 441.554 -0.292 20 0 IBADHN Cn1cnc2c1c(=O)n(CCCN1CCCN(CC(=O)N3CCCC3)CC1)c(=O)n2C ZINC000195674077 1073071472 /nfs/dbraw/zinc/07/14/72/1073071472.db2.gz UFOOZXVAWZRRIS-UHFFFAOYSA-N 0 3 431.541 -0.546 20 0 IBADHN CCN(CC)C(=O)CN1CCCN(CCCn2c(=O)c3c(ncn3C)n(C)c2=O)CC1 ZINC000303040714 1072151402 /nfs/dbraw/zinc/15/14/02/1072151402.db2.gz STJILULRJKVYFA-UHFFFAOYSA-N 0 3 433.557 -0.300 20 0 IBADHN NS(=O)(=O)CCN1CCN(C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)CC1 ZINC000409629450 1074495108 /nfs/dbraw/zinc/49/51/08/1074495108.db2.gz HVACGSYQBDJMPV-IBGZPJMESA-N 0 3 439.582 -0.107 20 0 IBADHN NS(=O)(=O)CCN1CCN(C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)CC1 ZINC000409629451 1074495075 /nfs/dbraw/zinc/49/50/75/1074495075.db2.gz HVACGSYQBDJMPV-LJQANCHMSA-N 0 3 439.582 -0.107 20 0 IBADHN COC(=O)CN(CCN1CCN(C)CC1)C(=O)CNC(=O)c1cnc2ccccc2c1O ZINC000410174060 1074502328 /nfs/dbraw/zinc/50/23/28/1074502328.db2.gz OHHATUXVWMZERO-UHFFFAOYSA-N 0 3 443.504 -0.493 20 0 IBADHN CN(C)CCN(Cc1ccccn1)C(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)nc1 ZINC000410382484 1074504998 /nfs/dbraw/zinc/50/49/98/1074504998.db2.gz OITSYAGTJQMTIE-UHFFFAOYSA-N 0 3 425.493 -0.058 20 0 IBADHN CN(C)CCN(Cc1ccccn1)C(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000410391651 1074505670 /nfs/dbraw/zinc/50/56/70/1074505670.db2.gz VIERGMYOCYTFKH-UHFFFAOYSA-N 0 3 439.476 -0.444 20 0 IBADHN CN1CCN(Cc2ccc(CNC(=O)N3CCN(C(=O)Cn4cnnn4)CC3)cc2)CC1 ZINC000410394225 1074505601 /nfs/dbraw/zinc/50/56/01/1074505601.db2.gz VZOMMHHXGKQXRW-UHFFFAOYSA-N 0 3 441.540 -0.526 20 0 IBADHN COCCn1c(N)c(C(=O)CN(C)C[C@]2(O)CCN(Cc3ccccc3)C2)c(=O)[nH]c1=O ZINC000425954978 1071997788 /nfs/dbraw/zinc/99/77/88/1071997788.db2.gz POAMEFDMJYJTPI-JOCHJYFZSA-N 0 3 445.520 -0.071 20 0 IBADHN COCCn1c(N)c(C(=O)CN(C)C[C@@]2(O)CCN(Cc3ccccc3)C2)c(=O)[nH]c1=O ZINC000425954980 1071997671 /nfs/dbraw/zinc/99/76/71/1071997671.db2.gz POAMEFDMJYJTPI-QFIPXVFZSA-N 0 3 445.520 -0.071 20 0 IBADHN C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N(C)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000425978722 1072003934 /nfs/dbraw/zinc/00/39/34/1072003934.db2.gz IOYJOBRWOXSKEY-IVZQSRNASA-N 0 3 429.521 -0.194 20 0 IBADHN C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N(C)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000425978730 1072003981 /nfs/dbraw/zinc/00/39/81/1072003981.db2.gz IOYJOBRWOXSKEY-NYHFZMIOSA-N 0 3 429.521 -0.194 20 0 IBADHN C[C@@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N(C)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000425978733 1072003867 /nfs/dbraw/zinc/00/38/67/1072003867.db2.gz IOYJOBRWOXSKEY-OYHNWAKOSA-N 0 3 429.521 -0.194 20 0 IBADHN C[C@H](C(=O)c1c(N)n(C)c(=O)n(C)c1=O)N(C)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000425978734 1072004012 /nfs/dbraw/zinc/00/40/12/1072004012.db2.gz IOYJOBRWOXSKEY-QRQCRPRQSA-N 0 3 429.521 -0.194 20 0 IBADHN NS(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@@H](O)CN2CCc3ccccc3C2)cc1 ZINC000426095678 1072018535 /nfs/dbraw/zinc/01/85/35/1072018535.db2.gz GRJRAQSOKJFEKP-QGZVFWFLSA-N 0 3 432.502 -0.192 20 0 IBADHN CCCN(CCN1CCN(CC)CC1)C(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1 ZINC000426155457 1072029396 /nfs/dbraw/zinc/02/93/96/1072029396.db2.gz XQOUHMBQAVVTGV-UHFFFAOYSA-N 0 3 428.559 -0.732 20 0 IBADHN C[NH+](C)C[C@@H](O)COc1ccc(NC(=O)CNS(=O)(=O)c2c[n-]c(C(N)=O)c2)cc1 ZINC000426887006 1072182963 /nfs/dbraw/zinc/18/29/63/1072182963.db2.gz RPAHXUWMGTWMFL-CYBMUJFWSA-N 0 3 439.494 -0.668 20 0 IBADHN C[NH+](C)C[C@H](O)COc1ccc(NC(=O)CNS(=O)(=O)c2c[n-]c(C(N)=O)c2)cc1 ZINC000426887007 1072183192 /nfs/dbraw/zinc/18/31/92/1072183192.db2.gz RPAHXUWMGTWMFL-ZDUSSCGKSA-N 0 3 439.494 -0.668 20 0 IBADHN C[C@H](O)CN1CCN(C(=O)C(=O)Nc2cccc(CN3CCC(C(N)=O)CC3)c2)CC1 ZINC000427027020 1072189842 /nfs/dbraw/zinc/18/98/42/1072189842.db2.gz GXDLAIAOZLRSLQ-INIZCTEOSA-N 0 3 431.537 -0.153 20 0 IBADHN C[C@H](O)CN1CCN(C(=O)C(=O)Nc2ccc(OCCN3CCN(C)CC3)cc2)CC1 ZINC000427041294 1072193113 /nfs/dbraw/zinc/19/31/13/1072193113.db2.gz QVQZWKFAMLGQBW-SFHVURJKSA-N 0 3 433.553 -0.224 20 0 IBADHN C[C@@H]1CN(CCC2CCN(S(=O)(=O)c3cn(C)c(=O)n(C)c3=O)CC2)C[C@H](C)O1 ZINC000427274609 1072206087 /nfs/dbraw/zinc/20/60/87/1072206087.db2.gz PZMSDTGRGHHLRG-GASCZTMLSA-N 0 3 428.555 -0.016 20 0 IBADHN C[C@H]1CN(CCC2CCN(S(=O)(=O)c3cn(C)c(=O)n(C)c3=O)CC2)C[C@H](C)O1 ZINC000427274610 1072206030 /nfs/dbraw/zinc/20/60/30/1072206030.db2.gz PZMSDTGRGHHLRG-GJZGRUSLSA-N 0 3 428.555 -0.016 20 0 IBADHN C[C@@H]1CN(CCC2CCN(S(=O)(=O)c3cn(C)c(=O)n(C)c3=O)CC2)C[C@@H](C)O1 ZINC000427274611 1072206045 /nfs/dbraw/zinc/20/60/45/1072206045.db2.gz PZMSDTGRGHHLRG-HUUCEWRRSA-N 0 3 428.555 -0.016 20 0 IBADHN CCN(CCO)CCNC(=O)C(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCCC2)c1 ZINC000427275380 1072206505 /nfs/dbraw/zinc/20/65/05/1072206505.db2.gz PMEOEXBJEYSMQD-UHFFFAOYSA-N 0 3 442.538 -0.151 20 0 IBADHN C[C@H]1CN(C(=O)C(=O)Nc2cccc(CN3CCC(C(N)=O)CC3)c2)CCN1CCO ZINC000427422667 1072215273 /nfs/dbraw/zinc/21/52/73/1072215273.db2.gz WODWIBSFUBSRNI-INIZCTEOSA-N 0 3 431.537 -0.153 20 0 IBADHN C[C@@H]1CN(C(=O)C(=O)Nc2cccc(CN3CCC(C(N)=O)CC3)c2)CCN1CCO ZINC000427422668 1072215053 /nfs/dbraw/zinc/21/50/53/1072215053.db2.gz WODWIBSFUBSRNI-MRXNPFEDSA-N 0 3 431.537 -0.153 20 0 IBADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)NCC3CN(S(C)(=O)=O)C3)cc2)CC1 ZINC000427428645 1072215307 /nfs/dbraw/zinc/21/53/07/1072215307.db2.gz OXESNJIOGMGPBQ-UHFFFAOYSA-N 0 3 437.566 -0.230 20 0 IBADHN C[C@@H]1CN(C(=O)C(=O)Nc2ccc(OCCN3CCN(C)CC3)cc2)CCN1CCO ZINC000427431280 1072215650 /nfs/dbraw/zinc/21/56/50/1072215650.db2.gz IGHSVEIHTBAWPQ-GOSISDBHSA-N 0 3 433.553 -0.224 20 0 IBADHN C[C@H]1CN(C(=O)C(=O)Nc2ccc(OCCN3CCN(C)CC3)cc2)CCN1CCO ZINC000427431281 1072215716 /nfs/dbraw/zinc/21/57/16/1072215716.db2.gz IGHSVEIHTBAWPQ-SFHVURJKSA-N 0 3 433.553 -0.224 20 0 IBADHN C[C@H](CNC(=O)[C@@H]1CC[C@H](C(=O)NC[C@H](C)CN2CCOCC2)O1)CN1CCOCC1 ZINC000427463850 1072219411 /nfs/dbraw/zinc/21/94/11/1072219411.db2.gz HOEGNZJZNPDJBJ-JVSBHGNQSA-N 0 3 440.585 -0.297 20 0 IBADHN C[C@H](CNC(=O)[C@H]1CC[C@@H](C(=O)NC[C@@H](C)CN2CCOCC2)O1)CN1CCOCC1 ZINC000427463852 1072219469 /nfs/dbraw/zinc/21/94/69/1072219469.db2.gz HOEGNZJZNPDJBJ-WTGUMLROSA-N 0 3 440.585 -0.297 20 0 IBADHN C[C@H](CNC(=O)[C@@H]1CC[C@@H](C(=O)NC[C@H](C)CN2CCOCC2)O1)CN1CCOCC1 ZINC000427463854 1072219642 /nfs/dbraw/zinc/21/96/42/1072219642.db2.gz HOEGNZJZNPDJBJ-YRPNKDGESA-N 0 3 440.585 -0.297 20 0 IBADHN CN(C)C(=O)Cn1cnc(NC(=O)C(=O)NC[C@]2(C)CCCN2Cc2ccccc2)n1 ZINC000427514934 1072222623 /nfs/dbraw/zinc/22/26/23/1072222623.db2.gz QJMQZNOHQVJEME-NRFANRHFSA-N 0 3 427.509 0.476 20 0 IBADHN CN(C)C(=O)Cn1cnc(NC(=O)C(=O)NC[C@@]2(C)CCCN2Cc2ccccc2)n1 ZINC000427514935 1072222595 /nfs/dbraw/zinc/22/25/95/1072222595.db2.gz QJMQZNOHQVJEME-OAQYLSRUSA-N 0 3 427.509 0.476 20 0 IBADHN CCN1CCN(CCCNC(=O)CCC(=O)Nc2ccc3c(n2)n(C)c(=O)n3C)CC1 ZINC000427909377 1073337190 /nfs/dbraw/zinc/33/71/90/1073337190.db2.gz AYSPQVHJQFHVJU-UHFFFAOYSA-N 0 3 431.541 0.135 20 0 IBADHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)Cn1c2ccc(S(N)(=O)=O)cc2oc1=O ZINC000427927043 1072348212 /nfs/dbraw/zinc/34/82/12/1072348212.db2.gz YQMVQNDPXNHRHE-ZDUSSCGKSA-N 0 3 438.506 -0.046 20 0 IBADHN C[C@@H](CNC(=O)CCC(=O)Nc1ccc2c(n1)n(C)c(=O)n2C)CN1CCN(C)CC1 ZINC000428021526 1072353693 /nfs/dbraw/zinc/35/36/93/1072353693.db2.gz NMXPYGRKBAGDDC-HNNXBMFYSA-N 0 3 431.541 -0.010 20 0 IBADHN C[C@H](CNC(=O)CCC(=O)Nc1ccc2c(n1)n(C)c(=O)n2C)CN1CCN(C)CC1 ZINC000428021529 1072353674 /nfs/dbraw/zinc/35/36/74/1072353674.db2.gz NMXPYGRKBAGDDC-OAHLLOKOSA-N 0 3 431.541 -0.010 20 0 IBADHN CCN1CCN(C[C@@H](C)CNC(=O)CCC(=O)Nc2ccc3c(n2)n(C)c(=O)n3C)CC1 ZINC000428022383 1072353636 /nfs/dbraw/zinc/35/36/36/1072353636.db2.gz RAAHAOHNRFAWEN-INIZCTEOSA-N 0 3 445.568 0.381 20 0 IBADHN CCN1CCN(C[C@H](C)CNC(=O)CCC(=O)Nc2ccc3c(n2)n(C)c(=O)n3C)CC1 ZINC000428022384 1072353365 /nfs/dbraw/zinc/35/33/65/1072353365.db2.gz RAAHAOHNRFAWEN-MRXNPFEDSA-N 0 3 445.568 0.381 20 0 IBADHN CC(C)[C@H](CNC(=O)CCC(=O)Nc1ccc2c(n1)n(C)c(=O)n2C)N1CCN(C)CC1 ZINC000428022521 1072353469 /nfs/dbraw/zinc/35/34/69/1072353469.db2.gz MNCHJIFJMFLDLX-KRWDZBQOSA-N 0 3 445.568 0.379 20 0 IBADHN CC(C)[C@@H](CNC(=O)CCC(=O)Nc1ccc2c(n1)n(C)c(=O)n2C)N1CCN(C)CC1 ZINC000428022522 1072353417 /nfs/dbraw/zinc/35/34/17/1072353417.db2.gz MNCHJIFJMFLDLX-QGZVFWFLSA-N 0 3 445.568 0.379 20 0 IBADHN CN(CCCN1CCN(C)CC1)C(=O)CCC(=O)Nc1ccc2c(n1)n(C)c(=O)n2C ZINC000428044191 1073310385 /nfs/dbraw/zinc/31/03/85/1073310385.db2.gz SAXFKLJRRXGLLS-UHFFFAOYSA-N 0 3 431.541 0.087 20 0 IBADHN O[C@@]1(CNc2nc(NC[C@@]3(O)CCSC3)nc(N3CCOCC3)n2)CCSC1 ZINC000428173118 1072361411 /nfs/dbraw/zinc/36/14/11/1072361411.db2.gz XVFHNLILSDYSMK-CALCHBBNSA-N 0 3 428.584 -0.888 20 0 IBADHN Cn1c2ccc(NC(=O)CCC(=O)N=c3ccn(C4CCN(C)CC4)[nH]3)nc2n(C)c1=O ZINC000428258470 1072449516 /nfs/dbraw/zinc/44/95/16/1072449516.db2.gz FLMHRIRJCVOVMT-UHFFFAOYSA-N 0 3 440.508 -0.064 20 0 IBADHN O=C(CN1CCCC1)N1CCN(C(=O)NCCNS(=O)(=O)Cc2ccon2)CC1 ZINC000428289262 1072527277 /nfs/dbraw/zinc/52/72/77/1072527277.db2.gz IOCHMOGXZPDQFP-UHFFFAOYSA-N 0 3 428.515 -0.956 20 0 IBADHN Cn1c2ncn(CC(=O)NC[C@H]3CN(Cc4ccccc4)CCCO3)c2c(=O)n(C)c1=O ZINC000428436907 1072722968 /nfs/dbraw/zinc/72/29/68/1072722968.db2.gz JTJYNTYVIPFRFO-KRWDZBQOSA-N 0 3 440.504 -0.159 20 0 IBADHN Cn1c2ncn(CC(=O)NC[C@@H]3CN(Cc4ccccc4)CCCO3)c2c(=O)n(C)c1=O ZINC000428436908 1072722873 /nfs/dbraw/zinc/72/28/73/1072722873.db2.gz JTJYNTYVIPFRFO-QGZVFWFLSA-N 0 3 440.504 -0.159 20 0 IBADHN Cn1cnc2c1c(=O)n(CC(=O)NC[C@H]1CN(Cc3ccccc3)CCCO1)c(=O)n2C ZINC000428442712 1072728669 /nfs/dbraw/zinc/72/86/69/1072728669.db2.gz VNYSURQXCRGEJF-KRWDZBQOSA-N 0 3 440.504 -0.159 20 0 IBADHN Cn1cnc2c1c(=O)n(CC(=O)NC[C@@H]1CN(Cc3ccccc3)CCCO1)c(=O)n2C ZINC000428442713 1072728787 /nfs/dbraw/zinc/72/87/87/1072728787.db2.gz VNYSURQXCRGEJF-QGZVFWFLSA-N 0 3 440.504 -0.159 20 0 IBADHN Cc1c([C@H]2[C@H](NC(=O)NCCCCN3CCN(CCO)CC3)CC(=O)N2C)cnn1C ZINC000428577281 1072957113 /nfs/dbraw/zinc/95/71/13/1072957113.db2.gz UBXZAPCHTDPEKA-QUCCMNQESA-N 0 3 435.573 -0.310 20 0 IBADHN CN(C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)CNS(=O)(=O)c1c[n-]c(C(N)=O)c1 ZINC000428700523 1072965704 /nfs/dbraw/zinc/96/57/04/1072965704.db2.gz LZNSYBYBQNNTCL-FQEVSTJZSA-N 0 3 449.533 -0.513 20 0 IBADHN CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)CNS(=O)(=O)c1c[n-]c(C(N)=O)c1 ZINC000428700523 1072965696 /nfs/dbraw/zinc/96/56/96/1072965696.db2.gz LZNSYBYBQNNTCL-FQEVSTJZSA-N 0 3 449.533 -0.513 20 0 IBADHN CN(C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(=O)CNS(=O)(=O)c1c[n-]c(C(N)=O)c1 ZINC000428700524 1072965839 /nfs/dbraw/zinc/96/58/39/1072965839.db2.gz LZNSYBYBQNNTCL-HXUWFJFHSA-N 0 3 449.533 -0.513 20 0 IBADHN CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)CNS(=O)(=O)c1c[n-]c(C(N)=O)c1 ZINC000428700524 1072965836 /nfs/dbraw/zinc/96/58/36/1072965836.db2.gz LZNSYBYBQNNTCL-HXUWFJFHSA-N 0 3 449.533 -0.513 20 0 IBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NCCNS(=O)(=O)Cc1ccon1 ZINC000428808049 1072495442 /nfs/dbraw/zinc/49/54/42/1072495442.db2.gz SYHNCGPFKGHINQ-HNNXBMFYSA-N 0 3 430.531 -0.664 20 0 IBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NCCNS(=O)(=O)Cc1ccon1 ZINC000428808050 1072495503 /nfs/dbraw/zinc/49/55/03/1072495503.db2.gz SYHNCGPFKGHINQ-OAHLLOKOSA-N 0 3 430.531 -0.664 20 0 IBADHN O=C(Cn1cnnn1)N1CCN(C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)CC1 ZINC000429048099 1073237253 /nfs/dbraw/zinc/23/72/53/1073237253.db2.gz YGMOAMFDSNKHQO-IBGZPJMESA-N 0 3 442.524 -0.182 20 0 IBADHN O=C(Cn1cnnn1)N1CCN(C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)CC1 ZINC000429048101 1073237150 /nfs/dbraw/zinc/23/71/50/1073237150.db2.gz YGMOAMFDSNKHQO-LJQANCHMSA-N 0 3 442.524 -0.182 20 0 IBADHN CCN(CC)CC(=O)N1CCN(C(=O)NCCNS(=O)(=O)Cc2ccon2)CC1 ZINC000429309432 1073320736 /nfs/dbraw/zinc/32/07/36/1073320736.db2.gz TVJIBANZWYUMKK-UHFFFAOYSA-N 0 3 430.531 -0.710 20 0 IBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)CCC(=O)Nc2ccc3[nH]c(=O)[nH]c3n2)CC1 ZINC000429379457 1073338883 /nfs/dbraw/zinc/33/88/83/1073338883.db2.gz CXZWFYMQENFTGI-AWEZNQCLSA-N 0 3 429.481 0.147 20 0 IBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)CCC(=O)Nc2ccc3[nH]c(=O)[nH]c3n2)CC1 ZINC000429379458 1073339017 /nfs/dbraw/zinc/33/90/17/1073339017.db2.gz CXZWFYMQENFTGI-CQSZACIVSA-N 0 3 429.481 0.147 20 0 IBADHN CCN(CC)CC(=O)N1CCN(C(=O)CCC(=O)Nc2ccc3[nH]c(=O)[nH]c3n2)CC1 ZINC000429404800 1073335748 /nfs/dbraw/zinc/33/57/48/1073335748.db2.gz MHBFQXXWWCLNBG-UHFFFAOYSA-N 0 3 431.497 0.395 20 0 IBADHN O=C(CCC(=O)N1CCN(C(=O)CN2CCCC2)CC1)Nc1ccc2[nH]c(=O)[nH]c2n1 ZINC000429413626 1073347948 /nfs/dbraw/zinc/34/79/48/1073347948.db2.gz VRJUZWQTSHUEBK-UHFFFAOYSA-N 0 3 429.481 0.149 20 0 IBADHN C[C@H](CN1CCN(C)CC1)NC(=O)C(=O)Nc1ccc(CC(=O)N2CCN(C)CC2)cc1 ZINC000429470384 1073361035 /nfs/dbraw/zinc/36/10/35/1073361035.db2.gz GTPCCNOMWSZEQC-GOSISDBHSA-N 0 3 444.580 -0.306 20 0 IBADHN C[C@@H](CN1CCN(C)CC1)NC(=O)C(=O)Nc1ccc(CC(=O)N2CCN(C)CC2)cc1 ZINC000429470387 1073361322 /nfs/dbraw/zinc/36/13/22/1073361322.db2.gz GTPCCNOMWSZEQC-SFHVURJKSA-N 0 3 444.580 -0.306 20 0 IBADHN Cc1cc(C)nc(-n2nccc2NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)n1 ZINC000429669794 1072086388 /nfs/dbraw/zinc/08/63/88/1072086388.db2.gz VROCTCBVBIYPBV-UHFFFAOYSA-N 0 3 440.508 -0.016 20 0 IBADHN CS(=O)(=O)N[C@H]1CCCC[C@H]1NCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000429702857 1072762685 /nfs/dbraw/zinc/76/26/85/1072762685.db2.gz OTMOHFWLXURLOT-CVEARBPZSA-N 0 3 432.568 -0.557 20 0 IBADHN CS(=O)(=O)N[C@H]1CCCC[C@@H]1NCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000429702860 1072762997 /nfs/dbraw/zinc/76/29/97/1072762997.db2.gz OTMOHFWLXURLOT-HOTGVXAUSA-N 0 3 432.568 -0.557 20 0 IBADHN CS(=O)(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000429702861 1072762651 /nfs/dbraw/zinc/76/26/51/1072762651.db2.gz OTMOHFWLXURLOT-HZPDHXFCSA-N 0 3 432.568 -0.557 20 0 IBADHN CS(=O)(=O)N[C@@H]1CCCC[C@@H]1NCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000429702862 1072763016 /nfs/dbraw/zinc/76/30/16/1072763016.db2.gz OTMOHFWLXURLOT-JKSUJKDBSA-N 0 3 432.568 -0.557 20 0 IBADHN C[C@H](N[C@@H]1CCCC[C@H]1NS(C)(=O)=O)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000429713289 1072761505 /nfs/dbraw/zinc/76/15/05/1072761505.db2.gz DKLFKTLQTMWYIW-IAOVAPTHSA-N 0 3 446.595 -0.169 20 0 IBADHN C[C@H](N[C@H]1CCCC[C@@H]1NS(C)(=O)=O)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000429713292 1072761422 /nfs/dbraw/zinc/76/14/22/1072761422.db2.gz DKLFKTLQTMWYIW-JQFCIGGWSA-N 0 3 446.595 -0.169 20 0 IBADHN C[C@H](N[C@H]1CCCC[C@H]1NS(C)(=O)=O)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000429713293 1072761402 /nfs/dbraw/zinc/76/14/02/1072761402.db2.gz DKLFKTLQTMWYIW-RRQGHBQHSA-N 0 3 446.595 -0.169 20 0 IBADHN C[C@H](N[C@@H]1CCCC[C@@H]1NS(C)(=O)=O)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000429713297 1072761237 /nfs/dbraw/zinc/76/12/37/1072761237.db2.gz DKLFKTLQTMWYIW-XKQJLSEDSA-N 0 3 446.595 -0.169 20 0 IBADHN CCOC(=O)c1ncn(C2CCN(CCn3cnc4c3c(=O)n(C)c(=O)n4C)CC2)c1N ZINC000429721652 1072784473 /nfs/dbraw/zinc/78/44/73/1072784473.db2.gz KFPZLEQVHRWDFB-UHFFFAOYSA-N 0 3 444.496 -0.274 20 0 IBADHN CNC(=O)Cn1nc(NC(=O)C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)cc1C ZINC000429776491 1073314833 /nfs/dbraw/zinc/31/48/33/1073314833.db2.gz SMNHGEUHRDLEDW-GOSISDBHSA-N 0 3 442.520 0.283 20 0 IBADHN CNC(=O)Cn1nc(NC(=O)C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)cc1C ZINC000429776492 1072424972 /nfs/dbraw/zinc/42/49/72/1072424972.db2.gz SMNHGEUHRDLEDW-SFHVURJKSA-N 0 3 442.520 0.283 20 0 IBADHN CN(C)C(=O)Cn1ccc(NC(=O)C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)n1 ZINC000429783079 1072425721 /nfs/dbraw/zinc/42/57/21/1072425721.db2.gz JUDCWMAWCYOEIF-GOSISDBHSA-N 0 3 442.520 0.317 20 0 IBADHN CN(C)C(=O)Cn1ccc(NC(=O)C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)n1 ZINC000429783080 1073303863 /nfs/dbraw/zinc/30/38/63/1073303863.db2.gz JUDCWMAWCYOEIF-SFHVURJKSA-N 0 3 442.520 0.317 20 0 IBADHN CNC(=O)Cn1cc(NC(=O)C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)cn1 ZINC000429794124 1072424566 /nfs/dbraw/zinc/42/45/66/1072424566.db2.gz UXFQLPVCKBSUHJ-GOSISDBHSA-N 0 3 428.493 -0.025 20 0 IBADHN CNC(=O)Cn1cc(NC(=O)C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)cn1 ZINC000429794126 1072424549 /nfs/dbraw/zinc/42/45/49/1072424549.db2.gz UXFQLPVCKBSUHJ-SFHVURJKSA-N 0 3 428.493 -0.025 20 0 IBADHN CN(C)CCN(C)C(=O)[C@H](CCC(N)=O)NS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000429807317 1071475736 /nfs/dbraw/zinc/47/57/36/1071475736.db2.gz INOJBQZGXFXYLY-AWEZNQCLSA-N 0 3 428.511 -0.610 20 0 IBADHN CN(C)CCN(C)C(=O)[C@@H](CCC(N)=O)NS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC000429807318 1071475576 /nfs/dbraw/zinc/47/55/76/1071475576.db2.gz INOJBQZGXFXYLY-CQSZACIVSA-N 0 3 428.511 -0.610 20 0 IBADHN COc1cc2c(cc1S(=O)(=O)N1CCN(C(=O)CN3CCCC3)CC1)OCC(=O)N2 ZINC000429816729 1071500196 /nfs/dbraw/zinc/50/01/96/1071500196.db2.gz GZIPGBQASSPSRH-UHFFFAOYSA-N 0 3 438.506 -0.045 20 0 IBADHN COc1cc2c(cc1S(=O)(=O)NCCCN1CCC[C@@H](C(N)=O)C1)OCC(=O)N2 ZINC000429864982 1071565675 /nfs/dbraw/zinc/56/56/75/1071565675.db2.gz JJCZFWDYDOPUAC-GFCCVEGCSA-N 0 3 426.495 -0.108 20 0 IBADHN COc1cc2c(cc1S(=O)(=O)NCCCN1CCC[C@H](C(N)=O)C1)OCC(=O)N2 ZINC000429864985 1071565578 /nfs/dbraw/zinc/56/55/78/1071565578.db2.gz JJCZFWDYDOPUAC-LBPRGKRZSA-N 0 3 426.495 -0.108 20 0 IBADHN COc1cc2c(cc1S(=O)(=O)N1CCN(C(=O)[C@@H]3CCCN3C)CC1)OCC(=O)N2 ZINC000429872132 1071570494 /nfs/dbraw/zinc/57/04/94/1071570494.db2.gz MOXYZOOYVJGXMA-AWEZNQCLSA-N 0 3 438.506 -0.047 20 0 IBADHN COc1cc2c(cc1S(=O)(=O)N1CCN(C(=O)[C@H]3CCCN3C)CC1)OCC(=O)N2 ZINC000429872135 1071570287 /nfs/dbraw/zinc/57/02/87/1071570287.db2.gz MOXYZOOYVJGXMA-CQSZACIVSA-N 0 3 438.506 -0.047 20 0 IBADHN CCN1CCN(c2cccc(NC(=O)C(=O)NCCNS(=O)(=O)NC(C)C)c2)CC1 ZINC000429922178 1071578991 /nfs/dbraw/zinc/57/89/91/1071578991.db2.gz WNVWFTOVWRNTPE-UHFFFAOYSA-N 0 3 440.570 -0.284 20 0 IBADHN CC(C)NS(=O)(=O)NCCNC(=O)C(=O)Nc1ccc(OC2CCN(C)CC2)nc1 ZINC000429967711 1071586330 /nfs/dbraw/zinc/58/63/30/1071586330.db2.gz XYFOZBCWCJQWTM-UHFFFAOYSA-N 0 3 442.542 -0.558 20 0 IBADHN Cc1cc(C)nc(-n2nccc2NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1 ZINC000430004671 1071617254 /nfs/dbraw/zinc/61/72/54/1071617254.db2.gz TYNQLZUKHHAGLK-INIZCTEOSA-N 0 3 440.508 -0.017 20 0 IBADHN Cc1cc(C)nc(-n2nccc2NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1 ZINC000430004672 1071617282 /nfs/dbraw/zinc/61/72/82/1071617282.db2.gz TYNQLZUKHHAGLK-MRXNPFEDSA-N 0 3 440.508 -0.017 20 0 IBADHN NC(=O)c1cc(S(=O)(=O)NCC(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)c[nH]1 ZINC000430102260 1071803086 /nfs/dbraw/zinc/80/30/86/1071803086.db2.gz KANBKEIPYITYMA-INIZCTEOSA-N 0 3 449.533 -0.201 20 0 IBADHN NC(=O)c1cc(S(=O)(=O)NCC(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)c[nH]1 ZINC000430102261 1071802823 /nfs/dbraw/zinc/80/28/23/1071802823.db2.gz KANBKEIPYITYMA-MRXNPFEDSA-N 0 3 449.533 -0.201 20 0 IBADHN CNC(=O)[C@@]1(C)CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)C1 ZINC000430251507 1070825096 /nfs/dbraw/zinc/82/50/96/1070825096.db2.gz OOIZWXJRNJBQNB-FQEVSTJZSA-N 0 3 438.550 -0.014 20 0 IBADHN CNC(=O)[C@]1(C)CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc(OC)cc3)CC2)C1 ZINC000430251508 1070824830 /nfs/dbraw/zinc/82/48/30/1070824830.db2.gz OOIZWXJRNJBQNB-HXUWFJFHSA-N 0 3 438.550 -0.014 20 0 IBADHN CNC(=O)[C@]1(C)CCN(CC(=O)N2CCN(S(=O)(=O)c3c(C)noc3C)CC2)C1 ZINC000430252328 1070825202 /nfs/dbraw/zinc/82/52/02/1070825202.db2.gz GGFYBKFDYCBTHK-GOSISDBHSA-N 0 3 427.527 -0.418 20 0 IBADHN CNC(=O)[C@@]1(C)CCN(CC(=O)N2CCN(S(=O)(=O)c3c(C)noc3C)CC2)C1 ZINC000430252329 1070824587 /nfs/dbraw/zinc/82/45/87/1070824587.db2.gz GGFYBKFDYCBTHK-SFHVURJKSA-N 0 3 427.527 -0.418 20 0 IBADHN CNC(=O)[C@@]1(C)CCN(CC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 ZINC000430266581 1070828235 /nfs/dbraw/zinc/82/82/35/1070828235.db2.gz CZSQAQXMJXTBCX-FQEVSTJZSA-N 0 3 438.550 -0.218 20 0 IBADHN CNC(=O)[C@]1(C)CCN(CC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 ZINC000430266582 1070828461 /nfs/dbraw/zinc/82/84/61/1070828461.db2.gz CZSQAQXMJXTBCX-HXUWFJFHSA-N 0 3 438.550 -0.218 20 0 IBADHN CNC(=O)[C@@]1(C)CCN(CC(=O)N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)C1 ZINC000430285972 1070835222 /nfs/dbraw/zinc/83/52/22/1070835222.db2.gz VXWMHIVLKSACRT-AVRDEDQJSA-N 0 3 430.505 -0.045 20 0 IBADHN CNC(=O)[C@@]1(C)CCN(CC(=O)N2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)C1 ZINC000430285973 1070835489 /nfs/dbraw/zinc/83/54/89/1070835489.db2.gz VXWMHIVLKSACRT-GCJKJVERSA-N 0 3 430.505 -0.045 20 0 IBADHN CNC(=O)[C@]1(C)CCN(CC(=O)N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)C1 ZINC000430285974 1070835359 /nfs/dbraw/zinc/83/53/59/1070835359.db2.gz VXWMHIVLKSACRT-PGRDOPGGSA-N 0 3 430.505 -0.045 20 0 IBADHN CNC(=O)[C@]1(C)CCN(CC(=O)N2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)C1 ZINC000430285975 1070834867 /nfs/dbraw/zinc/83/48/67/1070834867.db2.gz VXWMHIVLKSACRT-XMSQKQJNSA-N 0 3 430.505 -0.045 20 0 IBADHN O=C(CN1CCCC1)N1CCN(C(=O)C(=O)N[C@H]2CC[C@@H](C(=O)N3CCCC3)C2)CC1 ZINC000430469905 1070902208 /nfs/dbraw/zinc/90/22/08/1070902208.db2.gz DYTRETJZXVAAEG-MSOLQXFVSA-N 0 3 433.553 -0.340 20 0 IBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N[C@H]2CC[C@@H](C(=O)N3CCCC3)C2)CC1 ZINC000430500334 1070945347 /nfs/dbraw/zinc/94/53/47/1070945347.db2.gz NGZNJYALKFGNJV-FGTMMUONSA-N 0 3 433.553 -0.341 20 0 IBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N[C@H]2CC[C@@H](C(=O)N3CCCC3)C2)CC1 ZINC000430500335 1070945192 /nfs/dbraw/zinc/94/51/92/1070945192.db2.gz NGZNJYALKFGNJV-SQNIBIBYSA-N 0 3 433.553 -0.341 20 0 IBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N[C@H]2CC[C@@H](C(=O)N3CCCC3)C2)CC1 ZINC000430507727 1070945997 /nfs/dbraw/zinc/94/59/97/1070945997.db2.gz SCCUSZVEPGTUHV-MSOLQXFVSA-N 0 3 435.569 -0.094 20 0 IBADHN COC[C@](C)(CCO)NCC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000431006796 1071024078 /nfs/dbraw/zinc/02/40/78/1071024078.db2.gz ZTYVQXYQONYVHE-IBGZPJMESA-N 0 3 429.539 -0.299 20 0 IBADHN COC[C@@](C)(CCO)NCC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000431006799 1071024141 /nfs/dbraw/zinc/02/41/41/1071024141.db2.gz ZTYVQXYQONYVHE-LJQANCHMSA-N 0 3 429.539 -0.299 20 0 IBADHN CCN1CCN(C(=O)Cc2ccc(NC(=O)C(=O)NC[C@H]3CN(C)CCN3C)cc2)CC1 ZINC000431275539 1071052182 /nfs/dbraw/zinc/05/21/82/1071052182.db2.gz RMHYQUCICVDENI-FQEVSTJZSA-N 0 3 444.580 -0.306 20 0 IBADHN CCN1CCN(C(=O)Cc2ccc(NC(=O)C(=O)NC[C@@H]3CN(C)CCN3C)cc2)CC1 ZINC000431275540 1071052133 /nfs/dbraw/zinc/05/21/33/1071052133.db2.gz RMHYQUCICVDENI-HXUWFJFHSA-N 0 3 444.580 -0.306 20 0 IBADHN C[C@H](CCN1CCN(c2nccn(C)c2=O)CC1)N1CCN(c2nccn(C)c2=O)CC1 ZINC000431594755 1071454556 /nfs/dbraw/zinc/45/45/56/1071454556.db2.gz GVRVKKVAFXHERI-GOSISDBHSA-N 0 3 442.568 -0.403 20 0 IBADHN C[C@@H](CCN1CCN(c2nccn(C)c2=O)CC1)N1CCN(c2nccn(C)c2=O)CC1 ZINC000431594756 1071454520 /nfs/dbraw/zinc/45/45/20/1071454520.db2.gz GVRVKKVAFXHERI-SFHVURJKSA-N 0 3 442.568 -0.403 20 0 IBADHN Cc1nc(N2CCOCC2)ccc1NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000431701712 1071293155 /nfs/dbraw/zinc/29/31/55/1071293155.db2.gz HNDWZXVRRIWGBA-GOSISDBHSA-N 0 3 444.536 -0.070 20 0 IBADHN Cc1nc(N2CCOCC2)ccc1NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000431701713 1071292795 /nfs/dbraw/zinc/29/27/95/1071292795.db2.gz HNDWZXVRRIWGBA-SFHVURJKSA-N 0 3 444.536 -0.070 20 0 IBADHN Cc1nc(N2CCOCC2)ccc1NC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000431965981 1071366177 /nfs/dbraw/zinc/36/61/77/1071366177.db2.gz SEYHBNRPUYTUTC-UHFFFAOYSA-N 0 3 444.536 -0.068 20 0 IBADHN COc1cnccc1N1CCN(C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)CC1 ZINC000432155548 1071410168 /nfs/dbraw/zinc/41/01/68/1071410168.db2.gz FYLWYFJVPAAWNG-UHFFFAOYSA-N 0 3 429.481 0.500 20 0 IBADHN COCCCS(=O)(=O)N1CCN(C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)CC1 ZINC000432396570 1071462004 /nfs/dbraw/zinc/46/20/04/1071462004.db2.gz DKIXOACTRNHLCZ-KRWDZBQOSA-N 0 3 447.602 -0.377 20 0 IBADHN COCCCS(=O)(=O)N1CCN(C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC000432396571 1071461821 /nfs/dbraw/zinc/46/18/21/1071461821.db2.gz DKIXOACTRNHLCZ-QGZVFWFLSA-N 0 3 447.602 -0.377 20 0 IBADHN CCN1CCN(C[C@H](C)CNC(=O)N2CCN(S(=O)(=O)CCCOC)CC2)CC1 ZINC000432480549 1071467131 /nfs/dbraw/zinc/46/71/31/1071467131.db2.gz SPPBKOGBQPYLBB-GOSISDBHSA-N 0 3 433.619 -0.047 20 0 IBADHN CCN1CCN(C[C@@H](C)CNC(=O)N2CCN(S(=O)(=O)CCCOC)CC2)CC1 ZINC000432480554 1071467164 /nfs/dbraw/zinc/46/71/64/1071467164.db2.gz SPPBKOGBQPYLBB-SFHVURJKSA-N 0 3 433.619 -0.047 20 0 IBADHN CN(C)Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)cc1 ZINC000432852468 1071522397 /nfs/dbraw/zinc/52/23/97/1071522397.db2.gz QVWSHAPCBUDJEK-UHFFFAOYSA-N 0 3 432.568 -0.369 20 0 IBADHN COCCNc1nc(N2CC[S@](=O)C[C@H](C)C2)nc(N2CC[S@](=O)C[C@@H](C)C2)n1 ZINC000432856639 1071523218 /nfs/dbraw/zinc/52/32/18/1071523218.db2.gz YYPIMNRXJQACIU-HJWIRHBASA-N 0 3 444.627 -0.239 20 0 IBADHN COCCNc1nc(N2CC[S@@](=O)C[C@H](C)C2)nc(N2CC[S@](=O)C[C@H](C)C2)n1 ZINC000432856640 1071523722 /nfs/dbraw/zinc/52/37/22/1071523722.db2.gz YYPIMNRXJQACIU-KOMLFHGASA-N 0 3 444.627 -0.239 20 0 IBADHN COCCNc1nc(N2CC[S@](=O)C[C@H](C)C2)nc(N2CC[S@@](=O)C[C@@H](C)C2)n1 ZINC000432856641 1071523821 /nfs/dbraw/zinc/52/38/21/1071523821.db2.gz YYPIMNRXJQACIU-QKNGNDADSA-N 0 3 444.627 -0.239 20 0 IBADHN CN(CCOc1ccc(S(N)(=O)=O)cc1)CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000433056896 1071559663 /nfs/dbraw/zinc/55/96/63/1071559663.db2.gz FCPOJBXRHZZOHE-UHFFFAOYSA-N 0 3 436.494 -0.908 20 0 IBADHN C[C@@H]1CN(C(=O)C(=O)Nc2ccc3oc(=O)n(CCN(C)C)c3c2)CCS(=O)(=O)C1 ZINC000433630594 1071618324 /nfs/dbraw/zinc/61/83/24/1071618324.db2.gz AXGWSHBTNNNQLT-CYBMUJFWSA-N 0 3 438.506 -0.012 20 0 IBADHN C[C@H]1CN(C(=O)C(=O)Nc2ccc3oc(=O)n(CCN(C)C)c3c2)CCS(=O)(=O)C1 ZINC000433630595 1071618300 /nfs/dbraw/zinc/61/83/00/1071618300.db2.gz AXGWSHBTNNNQLT-ZDUSSCGKSA-N 0 3 438.506 -0.012 20 0 IBADHN CN1CCN(S(=O)(=O)N2CCN(C(=O)NC[C@H]3CCCCN3C3CC3)CC2)CC1 ZINC000433955302 1071636229 /nfs/dbraw/zinc/63/62/29/1071636229.db2.gz MJTRXMQWOBVXDX-GOSISDBHSA-N 0 3 428.603 -0.177 20 0 IBADHN CN1CCN(S(=O)(=O)N2CCN(C(=O)NC[C@@H]3CCCCN3C3CC3)CC2)CC1 ZINC000433955303 1071636191 /nfs/dbraw/zinc/63/61/91/1071636191.db2.gz MJTRXMQWOBVXDX-SFHVURJKSA-N 0 3 428.603 -0.177 20 0 IBADHN C[C@@H]1CN(C(=O)NCCCCN2CCN(CCO)CC2)CCN1c1nccn2cnnc12 ZINC000434057864 1071641344 /nfs/dbraw/zinc/64/13/44/1071641344.db2.gz GDQZZSVPFNRYAM-GOSISDBHSA-N 0 3 445.572 -0.266 20 0 IBADHN C[C@H]1CN(C(=O)NCCCCN2CCN(CCO)CC2)CCN1c1nccn2cnnc12 ZINC000434057865 1071641417 /nfs/dbraw/zinc/64/14/17/1071641417.db2.gz GDQZZSVPFNRYAM-SFHVURJKSA-N 0 3 445.572 -0.266 20 0 IBADHN CN(C)CCN1C[C@H](C(=O)N2CCO[C@H](CN3C(=O)c4ccccc4C3=O)C2)CC1=O ZINC000434558405 1071785248 /nfs/dbraw/zinc/78/52/48/1071785248.db2.gz JPPJWXAQOKPUDZ-CVEARBPZSA-N 0 3 428.489 -0.080 20 0 IBADHN CN(C)CCN1C[C@@H](C(=O)N2CCO[C@H](CN3C(=O)c4ccccc4C3=O)C2)CC1=O ZINC000434558409 1071785411 /nfs/dbraw/zinc/78/54/11/1071785411.db2.gz JPPJWXAQOKPUDZ-HOTGVXAUSA-N 0 3 428.489 -0.080 20 0 IBADHN CN(C)CCN1C[C@H](C(=O)N2CCO[C@@H](CN3C(=O)c4ccccc4C3=O)C2)CC1=O ZINC000434558411 1071785340 /nfs/dbraw/zinc/78/53/40/1071785340.db2.gz JPPJWXAQOKPUDZ-HZPDHXFCSA-N 0 3 428.489 -0.080 20 0 IBADHN CN(C)CCN1C[C@@H](C(=O)N2CCO[C@@H](CN3C(=O)c4ccccc4C3=O)C2)CC1=O ZINC000434558413 1071785379 /nfs/dbraw/zinc/78/53/79/1071785379.db2.gz JPPJWXAQOKPUDZ-JKSUJKDBSA-N 0 3 428.489 -0.080 20 0 IBADHN COCCN1CCC[C@H]1CNC(=O)C(=O)Nc1ncn(Cc2ncc(C)c(OC)c2C)n1 ZINC000434591457 1071788535 /nfs/dbraw/zinc/78/85/35/1071788535.db2.gz KMLKIBMOUOEKTL-INIZCTEOSA-N 0 3 445.524 0.512 20 0 IBADHN COCCN1CCC[C@@H]1CNC(=O)C(=O)Nc1ncn(Cc2ncc(C)c(OC)c2C)n1 ZINC000434591458 1073333089 /nfs/dbraw/zinc/33/30/89/1073333089.db2.gz KMLKIBMOUOEKTL-MRXNPFEDSA-N 0 3 445.524 0.512 20 0 IBADHN COc1ccc(NC(=O)C(=O)NCCN(C)C2CC2)cc1S(=O)(=O)N[C@H]1CCOC1 ZINC000434592244 1071789992 /nfs/dbraw/zinc/78/99/92/1071789992.db2.gz UGVHXKNDUNRHTQ-AWEZNQCLSA-N 0 3 440.522 -0.089 20 0 IBADHN COc1ccc(NC(=O)C(=O)NCCN(C)C2CC2)cc1S(=O)(=O)N[C@@H]1CCOC1 ZINC000434592245 1071790716 /nfs/dbraw/zinc/79/07/16/1071790716.db2.gz UGVHXKNDUNRHTQ-CQSZACIVSA-N 0 3 440.522 -0.089 20 0 IBADHN CCN(C)CCNC(=O)C(=O)Nc1ccc(OC)c(S(=O)(=O)N[C@H]2CCOC2)c1 ZINC000434597526 1071791503 /nfs/dbraw/zinc/79/15/03/1071791503.db2.gz QWZBXKSLWPBAPT-AWEZNQCLSA-N 0 3 428.511 -0.231 20 0 IBADHN CCN(C)CCNC(=O)C(=O)Nc1ccc(OC)c(S(=O)(=O)N[C@@H]2CCOC2)c1 ZINC000434597528 1071791205 /nfs/dbraw/zinc/79/12/05/1071791205.db2.gz QWZBXKSLWPBAPT-CQSZACIVSA-N 0 3 428.511 -0.231 20 0 IBADHN COc1ccc(NC(=O)C(=O)NC[C@H](C)N(C)C)cc1S(=O)(=O)N[C@@H]1CCOC1 ZINC000434720569 1071799659 /nfs/dbraw/zinc/79/96/59/1071799659.db2.gz URWNMAXULPBWDR-GXTWGEPZSA-N 0 3 428.511 -0.233 20 0 IBADHN COc1ccc(NC(=O)C(=O)NC[C@H](C)N(C)C)cc1S(=O)(=O)N[C@H]1CCOC1 ZINC000434720571 1071799477 /nfs/dbraw/zinc/79/94/77/1071799477.db2.gz URWNMAXULPBWDR-JSGCOSHPSA-N 0 3 428.511 -0.233 20 0 IBADHN COc1ccc(NC(=O)C(=O)NC[C@@H](C)N(C)C)cc1S(=O)(=O)N[C@H]1CCOC1 ZINC000434720573 1071799755 /nfs/dbraw/zinc/79/97/55/1071799755.db2.gz URWNMAXULPBWDR-OCCSQVGLSA-N 0 3 428.511 -0.233 20 0 IBADHN COc1ccc(NC(=O)C(=O)NC[C@@H](C)N(C)C)cc1S(=O)(=O)N[C@@H]1CCOC1 ZINC000434720575 1071799700 /nfs/dbraw/zinc/79/97/00/1071799700.db2.gz URWNMAXULPBWDR-TZMCWYRMSA-N 0 3 428.511 -0.233 20 0 IBADHN CCN1CCN(CCNC(=O)C(=O)Nc2ncn(Cc3ncc(C)c(OC)c3C)n2)CC1 ZINC000434731366 1073336943 /nfs/dbraw/zinc/33/69/43/1073336943.db2.gz ZVZXSUUHWYXRAB-UHFFFAOYSA-N 0 3 444.540 0.039 20 0 IBADHN CN(CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1)C1CCN(c2cnccn2)CC1 ZINC000434738654 1071474829 /nfs/dbraw/zinc/47/48/29/1071474829.db2.gz SRDAHZVJXVGBKX-UHFFFAOYSA-N 0 3 445.568 -0.620 20 0 IBADHN O=C(CN1CC[C@]2(CNC(=O)C2)C1)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC000434745790 1071804371 /nfs/dbraw/zinc/80/43/71/1071804371.db2.gz YQABDQATGGWMKA-AVRDEDQJSA-N 0 3 428.489 -0.291 20 0 IBADHN O=C(CN1CC[C@]2(CNC(=O)C2)C1)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC000434745792 1071804681 /nfs/dbraw/zinc/80/46/81/1071804681.db2.gz YQABDQATGGWMKA-GCJKJVERSA-N 0 3 428.489 -0.291 20 0 IBADHN O=C(CN1CC[C@@]2(CNC(=O)C2)C1)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC000434745793 1071804485 /nfs/dbraw/zinc/80/44/85/1071804485.db2.gz YQABDQATGGWMKA-PGRDOPGGSA-N 0 3 428.489 -0.291 20 0 IBADHN O=C(CN1CC[C@@]2(CNC(=O)C2)C1)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC000434745795 1071804159 /nfs/dbraw/zinc/80/41/59/1071804159.db2.gz YQABDQATGGWMKA-XMSQKQJNSA-N 0 3 428.489 -0.291 20 0 IBADHN O=S1(=O)CCCN1[C@@H]1CCCN(CCN2CCC[C@H](N3CCCS3(=O)=O)C2)C1 ZINC000434755948 1071806120 /nfs/dbraw/zinc/80/61/20/1071806120.db2.gz JQGSOVGCOXLPOX-HDICACEKSA-N 0 3 434.628 -0.014 20 0 IBADHN O=C1NC(=O)[C@@]2(CCCN(CCOc3ccc(S(=O)(=O)N4CCOCC4)cc3)C2)N1 ZINC000434790195 1071808102 /nfs/dbraw/zinc/80/81/02/1071808102.db2.gz RTBANSYIERDRNE-IBGZPJMESA-N 0 3 438.506 -0.240 20 0 IBADHN O=C1NC(=O)[C@]2(CCCN(CCOc3ccc(S(=O)(=O)N4CCOCC4)cc3)C2)N1 ZINC000434790196 1071808043 /nfs/dbraw/zinc/80/80/43/1071808043.db2.gz RTBANSYIERDRNE-LJQANCHMSA-N 0 3 438.506 -0.240 20 0 IBADHN COCCNS(=O)(=O)c1cc(NC(=O)C(=O)N2CCN3CCC[C@H]3C2)ccc1OC ZINC000434807399 1071809792 /nfs/dbraw/zinc/80/97/92/1071809792.db2.gz FNWNKDIWKUNECM-HNNXBMFYSA-N 0 3 440.522 -0.135 20 0 IBADHN COCCNS(=O)(=O)c1cc(NC(=O)C(=O)N2CCN3CCC[C@@H]3C2)ccc1OC ZINC000434807400 1071809952 /nfs/dbraw/zinc/80/99/52/1071809952.db2.gz FNWNKDIWKUNECM-OAHLLOKOSA-N 0 3 440.522 -0.135 20 0 IBADHN COc1ccc(NC(=O)C(=O)N(C)CCN(C)C)cc1S(=O)(=O)N[C@H]1CCOC1 ZINC000434963774 1071827003 /nfs/dbraw/zinc/82/70/03/1071827003.db2.gz STMOCBQAXCJBBL-AWEZNQCLSA-N 0 3 428.511 -0.279 20 0 IBADHN COc1ccc(NC(=O)C(=O)N(C)CCN(C)C)cc1S(=O)(=O)N[C@@H]1CCOC1 ZINC000434963775 1071827144 /nfs/dbraw/zinc/82/71/44/1071827144.db2.gz STMOCBQAXCJBBL-CQSZACIVSA-N 0 3 428.511 -0.279 20 0 IBADHN CN(CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)C[C@@H](O)CN1CCOCC1 ZINC000434999499 1071828882 /nfs/dbraw/zinc/82/88/82/1071828882.db2.gz LVXSTFIFUJVYEV-GOSISDBHSA-N 0 3 443.566 -0.289 20 0 IBADHN CN(CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1)C[C@H](O)CN1CCOCC1 ZINC000434999503 1071829036 /nfs/dbraw/zinc/82/90/36/1071829036.db2.gz LVXSTFIFUJVYEV-SFHVURJKSA-N 0 3 443.566 -0.289 20 0 IBADHN NC(=O)[C@H]1CN(C(=O)C(=O)Nc2ccnn2[C@H]2CCN(Cc3ccccc3)C2)CCO1 ZINC000435494236 1071870282 /nfs/dbraw/zinc/87/02/82/1071870282.db2.gz VDZZBUJETJIIBH-DLBZAZTESA-N 0 3 426.477 -0.019 20 0 IBADHN NC(=O)[C@H]1CN(C(=O)C(=O)Nc2ccnn2[C@@H]2CCN(Cc3ccccc3)C2)CCO1 ZINC000435494237 1071870186 /nfs/dbraw/zinc/87/01/86/1071870186.db2.gz VDZZBUJETJIIBH-IAGOWNOFSA-N 0 3 426.477 -0.019 20 0 IBADHN NC(=O)[C@@H]1CN(C(=O)C(=O)Nc2ccnn2[C@H]2CCN(Cc3ccccc3)C2)CCO1 ZINC000435494238 1071870369 /nfs/dbraw/zinc/87/03/69/1071870369.db2.gz VDZZBUJETJIIBH-IRXDYDNUSA-N 0 3 426.477 -0.019 20 0 IBADHN NC(=O)[C@@H]1CN(C(=O)C(=O)Nc2ccnn2[C@@H]2CCN(Cc3ccccc3)C2)CCO1 ZINC000435494239 1071870245 /nfs/dbraw/zinc/87/02/45/1071870245.db2.gz VDZZBUJETJIIBH-SJORKVTESA-N 0 3 426.477 -0.019 20 0 IBADHN O=C(CN1CCCC1)N1CCN(C(=O)C(=O)Nc2cccc([C@@H]3CNC(=O)C3)c2)CC1 ZINC000435499254 1071871992 /nfs/dbraw/zinc/87/19/92/1071871992.db2.gz DSHHZHXAIQOZNK-KRWDZBQOSA-N 0 3 427.505 -0.005 20 0 IBADHN O=C(CN1CCCC1)N1CCN(C(=O)C(=O)Nc2cccc([C@H]3CNC(=O)C3)c2)CC1 ZINC000435499255 1071871966 /nfs/dbraw/zinc/87/19/66/1071871966.db2.gz DSHHZHXAIQOZNK-QGZVFWFLSA-N 0 3 427.505 -0.005 20 0 IBADHN CS(=O)(=O)NCCNC(=O)C(=O)Nc1ccnn1[C@H]1CCN(Cc2ccccc2)C1 ZINC000435500624 1071871772 /nfs/dbraw/zinc/87/17/72/1071871772.db2.gz LKRUVBHXQSCCGD-INIZCTEOSA-N 0 3 434.522 -0.066 20 0 IBADHN CS(=O)(=O)NCCNC(=O)C(=O)Nc1ccnn1[C@@H]1CCN(Cc2ccccc2)C1 ZINC000435500625 1071871978 /nfs/dbraw/zinc/87/19/78/1071871978.db2.gz LKRUVBHXQSCCGD-MRXNPFEDSA-N 0 3 434.522 -0.066 20 0 IBADHN O=C(NCCN1C(=O)CNC1=O)C(=O)Nc1ccnn1[C@H]1CCN(Cc2ccccc2)C1 ZINC000435508263 1071871321 /nfs/dbraw/zinc/87/13/21/1071871321.db2.gz SWTNKJCTRVXCAE-INIZCTEOSA-N 0 3 439.476 -0.063 20 0 IBADHN O=C(NCCN1C(=O)CNC1=O)C(=O)Nc1ccnn1[C@@H]1CCN(Cc2ccccc2)C1 ZINC000435508264 1071870967 /nfs/dbraw/zinc/87/09/67/1071870967.db2.gz SWTNKJCTRVXCAE-MRXNPFEDSA-N 0 3 439.476 -0.063 20 0 IBADHN CN1CCN(CCCNC(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000435832458 1071886159 /nfs/dbraw/zinc/88/61/59/1071886159.db2.gz BGPSCDDLZOCZMW-AEFFLSMTSA-N 0 3 428.530 -0.297 20 0 IBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)Nc2cccc([C@H]3CNC(=O)C3)c2)CC1 ZINC000435835994 1071885880 /nfs/dbraw/zinc/88/58/80/1071885880.db2.gz PKROPDRHEUVIHW-AEFFLSMTSA-N 0 3 427.505 -0.006 20 0 IBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)Nc2cccc([C@@H]3CNC(=O)C3)c2)CC1 ZINC000435835995 1071885980 /nfs/dbraw/zinc/88/59/80/1071885980.db2.gz PKROPDRHEUVIHW-FUHWJXTLSA-N 0 3 427.505 -0.006 20 0 IBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)Nc2cccc([C@H]3CNC(=O)C3)c2)CC1 ZINC000435835996 1071886140 /nfs/dbraw/zinc/88/61/40/1071886140.db2.gz PKROPDRHEUVIHW-SJLPKXTDSA-N 0 3 427.505 -0.006 20 0 IBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)Nc2cccc([C@@H]3CNC(=O)C3)c2)CC1 ZINC000435835997 1071886035 /nfs/dbraw/zinc/88/60/35/1071886035.db2.gz PKROPDRHEUVIHW-WMZOPIPTSA-N 0 3 427.505 -0.006 20 0 IBADHN COCc1noc(CN2CCN(C(=O)NCCCN3CCC[C@H]3C(=O)N(C)C)CC2)n1 ZINC000436138210 1071900311 /nfs/dbraw/zinc/90/03/11/1071900311.db2.gz URAIFBGEGBGDFB-INIZCTEOSA-N 0 3 437.545 -0.014 20 0 IBADHN COCc1noc(CN2CCN(C(=O)NCCCN3CCC[C@@H]3C(=O)N(C)C)CC2)n1 ZINC000436138211 1071900478 /nfs/dbraw/zinc/90/04/78/1071900478.db2.gz URAIFBGEGBGDFB-MRXNPFEDSA-N 0 3 437.545 -0.014 20 0 IBADHN CN(C)CCn1c2cc(NC(=O)C(=O)N(C)CC(=O)N3CCOCC3)ccc2oc1=O ZINC000437143613 1071947840 /nfs/dbraw/zinc/94/78/40/1071947840.db2.gz FRZUNOUJUSVBDO-UHFFFAOYSA-N 0 3 433.465 -0.588 20 0 IBADHN CCN1CCN(c2ccc(NC(=O)C(=O)Nc3ncn(CC(=O)N(C)C)n3)c(C)c2)CC1 ZINC000437209430 1071951355 /nfs/dbraw/zinc/95/13/55/1071951355.db2.gz AMNFJCDLRWPBBL-UHFFFAOYSA-N 0 3 442.524 0.394 20 0 IBADHN CN(C)CCn1c(=O)oc2ccc(NC(=O)C(=O)N(CCO)CCN3CCOCC3)cc21 ZINC000437232287 1071486244 /nfs/dbraw/zinc/48/62/44/1071486244.db2.gz LLZDJBIZISXNAL-UHFFFAOYSA-N 0 3 449.508 -0.752 20 0 IBADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)N(CCO)CCN3CCOCC3)cc2)CC1 ZINC000437232567 1071486345 /nfs/dbraw/zinc/48/63/45/1071486345.db2.gz AIGCZQFDACHLDA-UHFFFAOYSA-N 0 3 447.580 -0.084 20 0 IBADHN CCN1CCN(c2cccc(NC(=O)C(=O)N(CCO)CCN3CCOCC3)c2)CC1 ZINC000437267934 1071491105 /nfs/dbraw/zinc/49/11/05/1071491105.db2.gz OEOOOIYVEJKFBZ-UHFFFAOYSA-N 0 3 433.553 -0.080 20 0 IBADHN CN1CCC(Oc2ccc(NC(=O)C(=O)N3CCC[C@H](S(N)(=O)=O)C3)cn2)CC1 ZINC000437341666 1071957520 /nfs/dbraw/zinc/95/75/20/1071957520.db2.gz FWIYDAFBWCBNDA-HNNXBMFYSA-N 0 3 425.511 -0.227 20 0 IBADHN CN1CCC(Oc2ccc(NC(=O)C(=O)N3CCC[C@@H](S(N)(=O)=O)C3)cn2)CC1 ZINC000437341667 1071957537 /nfs/dbraw/zinc/95/75/37/1071957537.db2.gz FWIYDAFBWCBNDA-OAHLLOKOSA-N 0 3 425.511 -0.227 20 0 IBADHN CN(C)CCn1c2cc(NC(=O)C(=O)N3CCC[C@@H](S(N)(=O)=O)C3)ccc2oc1=O ZINC000437343491 1071961625 /nfs/dbraw/zinc/96/16/25/1071961625.db2.gz ILYWSTULABWYBR-CYBMUJFWSA-N 0 3 439.494 -0.626 20 0 IBADHN CN(C)CCn1c2cc(NC(=O)C(=O)N3CCC[C@H](S(N)(=O)=O)C3)ccc2oc1=O ZINC000437343492 1071961597 /nfs/dbraw/zinc/96/15/97/1071961597.db2.gz ILYWSTULABWYBR-ZDUSSCGKSA-N 0 3 439.494 -0.626 20 0 IBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)NCCNS(=O)(=O)c2cccs2)CC1 ZINC000437446581 1071965005 /nfs/dbraw/zinc/96/50/05/1071965005.db2.gz LPVXQOGAPSRMBM-AWEZNQCLSA-N 0 3 429.568 -0.026 20 0 IBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)NCCNS(=O)(=O)c2cccs2)CC1 ZINC000437446589 1071965186 /nfs/dbraw/zinc/96/51/86/1071965186.db2.gz LPVXQOGAPSRMBM-CQSZACIVSA-N 0 3 429.568 -0.026 20 0 IBADHN O=C(Cn1ccc(NC(=O)C(=O)N2CCC[C@H]2CN2CCCCC2)n1)N1CCOCC1 ZINC000437507882 1071968617 /nfs/dbraw/zinc/96/86/17/1071968617.db2.gz NPMVVFPICRAIJJ-KRWDZBQOSA-N 0 3 432.525 0.157 20 0 IBADHN O=C(Cn1ccc(NC(=O)C(=O)N2CCC[C@@H]2CN2CCCCC2)n1)N1CCOCC1 ZINC000437507885 1073321603 /nfs/dbraw/zinc/32/16/03/1073321603.db2.gz NPMVVFPICRAIJJ-QGZVFWFLSA-N 0 3 432.525 0.157 20 0 IBADHN Cc1ccc(CN(CCN(C)C)C(=O)C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)o1 ZINC000437507983 1071968060 /nfs/dbraw/zinc/96/80/60/1071968060.db2.gz XQNYSBDIKOKZHV-UHFFFAOYSA-N 0 3 446.508 0.172 20 0 IBADHN O=C(CN1CCCC1)N1CCN(C(=O)NCCNS(=O)(=O)c2cccs2)CC1 ZINC000438161970 1071997695 /nfs/dbraw/zinc/99/76/95/1071997695.db2.gz CEZHRFVIKFRZPW-UHFFFAOYSA-N 0 3 429.568 -0.024 20 0 IBADHN COC(=O)[C@@H](O)C1CCN(C(=O)C(=O)Nc2ccc3oc(=O)n(CCN(C)C)c3c2)CC1 ZINC000438248641 1072001116 /nfs/dbraw/zinc/00/11/16/1072001116.db2.gz OSBUPMXWZRXTRO-KRWDZBQOSA-N 0 3 448.476 -0.133 20 0 IBADHN COC(=O)[C@H](O)C1CCN(C(=O)C(=O)Nc2ccc3oc(=O)n(CCN(C)C)c3c2)CC1 ZINC000438248643 1072001069 /nfs/dbraw/zinc/00/10/69/1072001069.db2.gz OSBUPMXWZRXTRO-QGZVFWFLSA-N 0 3 448.476 -0.133 20 0 IBADHN CC(C)N1C[C@H](Nc2nc(N[C@H]3CC(=O)N(C(C)C)C3)nc(N3CCOCC3)n2)CC1=O ZINC000438390920 1072009092 /nfs/dbraw/zinc/00/90/92/1072009092.db2.gz JICRADMGPUZIMB-IYBDPMFKSA-N 0 3 446.556 -0.606 20 0 IBADHN COC[C@](C)(CCO)NCC(=O)NCc1ccccc1S(=O)(=O)N1CCOCC1 ZINC000438487445 1072012718 /nfs/dbraw/zinc/01/27/18/1072012718.db2.gz AUBYBRKQEMHQNT-IBGZPJMESA-N 0 3 429.539 -0.299 20 0 IBADHN COC[C@@](C)(CCO)NCC(=O)NCc1ccccc1S(=O)(=O)N1CCOCC1 ZINC000438487448 1072012691 /nfs/dbraw/zinc/01/26/91/1072012691.db2.gz AUBYBRKQEMHQNT-LJQANCHMSA-N 0 3 429.539 -0.299 20 0 IBADHN O=C(CC1(C(=O)NCCN2CCCOCC2)CCOCC1)NCCN1CCCOCC1 ZINC000438692161 1072021448 /nfs/dbraw/zinc/02/14/48/1072021448.db2.gz OXGDMGDSBHSRLB-UHFFFAOYSA-N 0 3 440.585 -0.150 20 0 IBADHN CC[C@H](NC(=O)C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1)C(=O)N1CCOCC1 ZINC000438755921 1072025387 /nfs/dbraw/zinc/02/53/87/1072025387.db2.gz MFXQAEBKHXRPJH-HNNXBMFYSA-N 0 3 447.492 -0.152 20 0 IBADHN CC[C@@H](NC(=O)C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1)C(=O)N1CCOCC1 ZINC000438755928 1072025503 /nfs/dbraw/zinc/02/55/03/1072025503.db2.gz MFXQAEBKHXRPJH-OAHLLOKOSA-N 0 3 447.492 -0.152 20 0 IBADHN Cc1c(C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)cnc2c1c(=O)n(C)c(=O)n2C ZINC000438908338 1072038299 /nfs/dbraw/zinc/03/82/99/1072038299.db2.gz FYRILOKSEIAGGQ-HNNXBMFYSA-N 0 3 430.509 -0.387 20 0 IBADHN Cc1c(C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)cnc2c1c(=O)n(C)c(=O)n2C ZINC000438908341 1072038446 /nfs/dbraw/zinc/03/84/46/1072038446.db2.gz FYRILOKSEIAGGQ-OAHLLOKOSA-N 0 3 430.509 -0.387 20 0 IBADHN CCN(CC)CC(=O)N1CCN(C(=O)c2cnc3c(c2C)c(=O)n(C)c(=O)n3C)CC1 ZINC000439077827 1072049297 /nfs/dbraw/zinc/04/92/97/1072049297.db2.gz JUQNHBNXSPZLDH-UHFFFAOYSA-N 0 3 430.509 -0.433 20 0 IBADHN Cc1c(C(=O)N2CCN(C(=O)CN3CCCC3)CC2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000439084322 1072050857 /nfs/dbraw/zinc/05/08/57/1072050857.db2.gz GPKOWTPWZZIBQH-UHFFFAOYSA-N 0 3 428.493 -0.679 20 0 IBADHN OC[C@H]1O[C@@H](n2cnc3c2ncnc3N2CCN(CCc3ccccc3)CC2)[C@H](O)[C@@H]1O ZINC000439091358 1072051175 /nfs/dbraw/zinc/05/11/75/1072051175.db2.gz BPCGDEJXXWPLCC-WGQQHEPDSA-N 0 3 440.504 -0.198 20 0 IBADHN OC[C@H]1O[C@@H](n2cnc3c2ncnc3NCCN2CCc3ccccc3C2)[C@H](O)[C@@H]1O ZINC000439108259 1072051681 /nfs/dbraw/zinc/05/16/81/1072051681.db2.gz RYSCLCCBOIRGGN-QTQZEZTPSA-N 0 3 426.477 -0.092 20 0 IBADHN CCN1CCN(C[C@H](C)CNc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)CC1 ZINC000439109950 1072052318 /nfs/dbraw/zinc/05/23/18/1072052318.db2.gz SKGBBOHBSJDFDG-CDUMDVBJSA-N 0 3 435.529 -0.877 20 0 IBADHN CCN1CCN(C[C@@H](C)CNc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)CC1 ZINC000439109951 1072052252 /nfs/dbraw/zinc/05/22/52/1072052252.db2.gz SKGBBOHBSJDFDG-SWQDORGXSA-N 0 3 435.529 -0.877 20 0 IBADHN C[C@@H]1CN(CCCCNc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C[C@H](C)O1 ZINC000439154383 1072059969 /nfs/dbraw/zinc/05/99/69/1072059969.db2.gz MGQQGMTVBQGMJD-COXIEXTQSA-N 0 3 436.513 -0.261 20 0 IBADHN C[C@H]1CN(CCCCNc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C[C@H](C)O1 ZINC000439154385 1072060200 /nfs/dbraw/zinc/06/02/00/1072060200.db2.gz MGQQGMTVBQGMJD-WPWKUSFZSA-N 0 3 436.513 -0.261 20 0 IBADHN C[C@@H]1CN(CCCCNc2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C[C@@H](C)O1 ZINC000439154387 1072060074 /nfs/dbraw/zinc/06/00/74/1072060074.db2.gz MGQQGMTVBQGMJD-WVFLMPAWSA-N 0 3 436.513 -0.261 20 0 IBADHN CN(CCN1CCCC1)C(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000439221727 1072065327 /nfs/dbraw/zinc/06/53/27/1072065327.db2.gz ISJWADAUIMYBBH-UHFFFAOYSA-N 0 3 437.522 -0.700 20 0 IBADHN Cc1cnn([C@H]2CCN(Cc3ccccc3)C2)c1NC(=O)C(=O)NCC(=O)NCCO ZINC000439248460 1072065798 /nfs/dbraw/zinc/06/57/98/1072065798.db2.gz IJFALNSYGJVTEW-KRWDZBQOSA-N 0 3 428.493 -0.198 20 0 IBADHN Cc1cnn([C@@H]2CCN(Cc3ccccc3)C2)c1NC(=O)C(=O)NCC(=O)NCCO ZINC000439248462 1072066356 /nfs/dbraw/zinc/06/63/56/1072066356.db2.gz IJFALNSYGJVTEW-QGZVFWFLSA-N 0 3 428.493 -0.198 20 0 IBADHN Cc1cc(NC(=O)C(=O)NCC(=O)NCCO)n([C@H]2CCN(Cc3ccccc3)C2)n1 ZINC000439251145 1072066055 /nfs/dbraw/zinc/06/60/55/1072066055.db2.gz NYFYFZZQNHXHCN-KRWDZBQOSA-N 0 3 428.493 -0.198 20 0 IBADHN Cc1cc(NC(=O)C(=O)NCC(=O)NCCO)n([C@@H]2CCN(Cc3ccccc3)C2)n1 ZINC000439251146 1072066245 /nfs/dbraw/zinc/06/62/45/1072066245.db2.gz NYFYFZZQNHXHCN-QGZVFWFLSA-N 0 3 428.493 -0.198 20 0 IBADHN COC(=O)CC1(NCC(=O)NC[C@H]2CN(CC(C)C)CCO2)CCS(=O)(=O)CC1 ZINC000439258170 1072067259 /nfs/dbraw/zinc/06/72/59/1072067259.db2.gz FEOKWPVUYVISMM-INIZCTEOSA-N 0 3 433.571 -0.441 20 0 IBADHN COC(=O)CC1(NCC(=O)NC[C@@H]2CN(CC(C)C)CCO2)CCS(=O)(=O)CC1 ZINC000439258173 1072067380 /nfs/dbraw/zinc/06/73/80/1072067380.db2.gz FEOKWPVUYVISMM-MRXNPFEDSA-N 0 3 433.571 -0.441 20 0 IBADHN COC(=O)CC1(NC[C@H](O)Cn2c(=O)onc2-c2ccccc2)CCS(=O)(=O)CC1 ZINC000439258537 1072067978 /nfs/dbraw/zinc/06/79/78/1072067978.db2.gz LSNOPPPWNTZPHZ-HNNXBMFYSA-N 0 3 439.490 -0.036 20 0 IBADHN COC(=O)CC1(NC[C@@H](O)Cn2c(=O)onc2-c2ccccc2)CCS(=O)(=O)CC1 ZINC000439258538 1072067846 /nfs/dbraw/zinc/06/78/46/1072067846.db2.gz LSNOPPPWNTZPHZ-OAHLLOKOSA-N 0 3 439.490 -0.036 20 0 IBADHN Cc1c(C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000439282984 1072069018 /nfs/dbraw/zinc/06/90/18/1072069018.db2.gz JFSABDKRSSKWHY-HNNXBMFYSA-N 0 3 428.493 -0.681 20 0 IBADHN Cc1c(C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000439282985 1072069163 /nfs/dbraw/zinc/06/91/63/1072069163.db2.gz JFSABDKRSSKWHY-OAHLLOKOSA-N 0 3 428.493 -0.681 20 0 IBADHN CN(C)CCN(CCOCCO)C(=O)C(=O)Nc1cccc2c1CCN2S(C)(=O)=O ZINC000439616302 1072089349 /nfs/dbraw/zinc/08/93/49/1072089349.db2.gz VMGBBRQMTXENPN-UHFFFAOYSA-N 0 3 442.538 -0.654 20 0 IBADHN CN(C)CCN(CCOCCO)C(=O)C(=O)Nc1cc(Br)cn(C)c1=O ZINC000439627868 1072090329 /nfs/dbraw/zinc/09/03/29/1072090329.db2.gz WPOLFFJTERXRCN-UHFFFAOYSA-N 0 3 433.303 -0.515 20 0 IBADHN CN(C)CCN(CCOCCO)C(=O)C(=O)Nc1cc(Br)c(=O)n(C)c1 ZINC000439641085 1072089701 /nfs/dbraw/zinc/08/97/01/1072089701.db2.gz MNMLKDPHHGOPIY-UHFFFAOYSA-N 0 3 433.303 -0.515 20 0 IBADHN CCN1CCN(CCNS(=O)(=O)c2ccc(OC)c([C@]3(C)NC(=O)NC3=O)c2)CC1 ZINC000440072158 1072118024 /nfs/dbraw/zinc/11/80/24/1072118024.db2.gz BRODCAMRICTZHE-IBGZPJMESA-N 0 3 439.538 -0.334 20 0 IBADHN CCN1CCN(CCNS(=O)(=O)c2ccc(OC)c([C@@]3(C)NC(=O)NC3=O)c2)CC1 ZINC000440072162 1072117910 /nfs/dbraw/zinc/11/79/10/1072117910.db2.gz BRODCAMRICTZHE-LJQANCHMSA-N 0 3 439.538 -0.334 20 0 IBADHN Cc1n[nH]c(CCNC(=O)C(=O)Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)n1 ZINC000440105535 1072121771 /nfs/dbraw/zinc/12/17/71/1072121771.db2.gz KTMRNEIOFGLFDN-UHFFFAOYSA-N 0 3 435.510 -0.653 20 0 IBADHN Cc1n[nH]c(CCNC(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCN(C)CC3)c2)n1 ZINC000440107051 1072121795 /nfs/dbraw/zinc/12/17/95/1072121795.db2.gz PCPACZGMUSYYPJ-UHFFFAOYSA-N 0 3 435.510 -0.653 20 0 IBADHN CNS(=O)(=O)c1cc(NC(=O)C(=O)N(C)CCCN2CCN(C)CC2)ccc1C ZINC000440267489 1072131995 /nfs/dbraw/zinc/13/19/95/1072131995.db2.gz LPLGJYBBNVZMFE-UHFFFAOYSA-N 0 3 425.555 -0.062 20 0 IBADHN Cc1cc(S(N)(=O)=O)cc(NC(=O)C(=O)N(C)CCCN2CCN(C)CC2)c1C ZINC000440267882 1072132410 /nfs/dbraw/zinc/13/24/10/1072132410.db2.gz QUMUYNSOAFQISI-UHFFFAOYSA-N 0 3 425.555 -0.015 20 0 IBADHN CNS(=O)(=O)c1ccc(C)c(NC(=O)C(=O)N(C)CCCN2CCN(C)CC2)c1 ZINC000440268928 1072132372 /nfs/dbraw/zinc/13/23/72/1072132372.db2.gz HFWXTMJFMLTNON-UHFFFAOYSA-N 0 3 425.555 -0.062 20 0 IBADHN CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)N(C)CCCN1CCN(C)CC1)CC2 ZINC000440278238 1072133762 /nfs/dbraw/zinc/13/37/62/1072133762.db2.gz AHXASAYCCPEGDO-UHFFFAOYSA-N 0 3 437.566 -0.420 20 0 IBADHN CCc1ccc(NC(=O)C(=O)N(C)CCCN2CCN(C)CC2)cc1S(N)(=O)=O ZINC000440284888 1072134197 /nfs/dbraw/zinc/13/41/97/1072134197.db2.gz OGWYMDRWJQVNOB-UHFFFAOYSA-N 0 3 425.555 -0.069 20 0 IBADHN CNS(=O)(=O)c1cccc(NC(=O)C(=O)N(C)CCCN2CCN(C)CC2)c1C ZINC000440285414 1072134227 /nfs/dbraw/zinc/13/42/27/1072134227.db2.gz PZLVTANVYNRPHW-UHFFFAOYSA-N 0 3 425.555 -0.062 20 0 IBADHN CN(C)S(=O)(=O)c1cccc(NC(=O)C(=O)N(C)CCCN2CCN(C)CC2)c1 ZINC000440287057 1072134236 /nfs/dbraw/zinc/13/42/36/1072134236.db2.gz YKQXQLONDHRTBV-UHFFFAOYSA-N 0 3 425.555 -0.029 20 0 IBADHN CN(C)S(=O)(=O)c1ccccc1NC(=O)C(=O)N(C)CCCN1CCN(C)CC1 ZINC000440288119 1072134753 /nfs/dbraw/zinc/13/47/53/1072134753.db2.gz XKCLRVTWOYPSGP-UHFFFAOYSA-N 0 3 425.555 -0.029 20 0 IBADHN Cc1ccccc1CN1CCCN(C(=O)CN2CCN(CCS(N)(=O)=O)CC2)CC1 ZINC000440338933 1072139082 /nfs/dbraw/zinc/13/90/82/1072139082.db2.gz LWXPYMKHLLCTGB-UHFFFAOYSA-N 0 3 437.610 -0.065 20 0 IBADHN CN1CCC(Oc2ccc(NC(=O)C(=O)N3CCC[C@H]3CS(N)(=O)=O)cn2)CC1 ZINC000440370580 1072141030 /nfs/dbraw/zinc/14/10/30/1072141030.db2.gz IHSMIHWCUZTLMU-AWEZNQCLSA-N 0 3 425.511 -0.227 20 0 IBADHN CN1CCC(Oc2ccc(NC(=O)C(=O)N3CCC[C@@H]3CS(N)(=O)=O)cn2)CC1 ZINC000440370581 1072140951 /nfs/dbraw/zinc/14/09/51/1072140951.db2.gz IHSMIHWCUZTLMU-CQSZACIVSA-N 0 3 425.511 -0.227 20 0 IBADHN CN(C)CCn1c2cc(NC(=O)C(=O)N3CCC[C@@H]3CS(N)(=O)=O)ccc2oc1=O ZINC000440393073 1072144634 /nfs/dbraw/zinc/14/46/34/1072144634.db2.gz PHHISCTVHLGGGV-CYBMUJFWSA-N 0 3 439.494 -0.626 20 0 IBADHN CN(C)CCn1c2cc(NC(=O)C(=O)N3CCC[C@H]3CS(N)(=O)=O)ccc2oc1=O ZINC000440393074 1072144687 /nfs/dbraw/zinc/14/46/87/1072144687.db2.gz PHHISCTVHLGGGV-ZDUSSCGKSA-N 0 3 439.494 -0.626 20 0 IBADHN C[C@@H]1CN(C[C@H](O)CN2CCN(C[C@H](O)CN3C[C@@H](C)O[C@@H](C)C3)[C@@H](C)C2)C[C@H](C)O1 ZINC000440469982 1071518207 /nfs/dbraw/zinc/51/82/07/1071518207.db2.gz ZOZSBJJBKNKNHP-HBVGOFRXSA-N 0 3 442.645 -0.067 20 0 IBADHN C[C@@H]1CN(C[C@H](O)CN2CCN(C[C@H](O)CN3C[C@H](C)O[C@@H](C)C3)[C@@H](C)C2)C[C@@H](C)O1 ZINC000440469983 1071518235 /nfs/dbraw/zinc/51/82/35/1071518235.db2.gz ZOZSBJJBKNKNHP-IGBQCTDWSA-N 0 3 442.645 -0.067 20 0 IBADHN C[C@@H]1CN(C[C@H](O)CN2CCN(C[C@H](O)CN3C[C@@H](C)O[C@@H](C)C3)[C@@H](C)C2)C[C@@H](C)O1 ZINC000440469984 1071518537 /nfs/dbraw/zinc/51/85/37/1071518537.db2.gz ZOZSBJJBKNKNHP-QDOIWCEOSA-N 0 3 442.645 -0.067 20 0 IBADHN C[C@@H]1CN(C[C@H](O)CN2CCN(C[C@H](O)CN3C[C@H](C)O[C@@H](C)C3)[C@@H](C)C2)C[C@H](C)O1 ZINC000440469986 1071518430 /nfs/dbraw/zinc/51/84/30/1071518430.db2.gz ZOZSBJJBKNKNHP-XCXHLKQJSA-N 0 3 442.645 -0.067 20 0 IBADHN CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)CCN[C@@H](CC(N)=O)C1CCOCC1 ZINC000440505744 1072213106 /nfs/dbraw/zinc/21/31/06/1072213106.db2.gz QCVASQXMALYVPR-HNNXBMFYSA-N 0 3 447.579 -0.029 20 0 IBADHN CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)CCN[C@H](CC(N)=O)C1CCOCC1 ZINC000440505746 1072213279 /nfs/dbraw/zinc/21/32/79/1072213279.db2.gz QCVASQXMALYVPR-OAHLLOKOSA-N 0 3 447.579 -0.029 20 0 IBADHN CN(C(=O)c1ccc(NC(=O)C(=O)N[C@H]2CCC(=O)NC2=O)cc1)[C@@H]1CCCN(C)C1 ZINC000440506365 1072218367 /nfs/dbraw/zinc/21/83/67/1072218367.db2.gz AOTAVVGCEYWLOB-CVEARBPZSA-N 0 3 429.477 -0.287 20 0 IBADHN CN(C(=O)c1ccc(NC(=O)C(=O)N[C@H]2CCC(=O)NC2=O)cc1)[C@H]1CCCN(C)C1 ZINC000440506367 1072218491 /nfs/dbraw/zinc/21/84/91/1072218491.db2.gz AOTAVVGCEYWLOB-HOTGVXAUSA-N 0 3 429.477 -0.287 20 0 IBADHN CN(C(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CCC(=O)NC2=O)cc1)[C@@H]1CCCN(C)C1 ZINC000440506369 1072218421 /nfs/dbraw/zinc/21/84/21/1072218421.db2.gz AOTAVVGCEYWLOB-HZPDHXFCSA-N 0 3 429.477 -0.287 20 0 IBADHN CN(C(=O)c1ccc(NC(=O)C(=O)N[C@@H]2CCC(=O)NC2=O)cc1)[C@H]1CCCN(C)C1 ZINC000440506371 1072218521 /nfs/dbraw/zinc/21/85/21/1072218521.db2.gz AOTAVVGCEYWLOB-JKSUJKDBSA-N 0 3 429.477 -0.287 20 0 IBADHN C[S@](=O)C1(CNc2nc(NCC3([S@@](C)=O)CC3)nc(N3CCOCC3)n2)CC1 ZINC000440539289 1072228048 /nfs/dbraw/zinc/22/80/48/1072228048.db2.gz UEQTZMSIJYYXBK-HNRBIFIRSA-N 0 3 428.584 -0.802 20 0 IBADHN C[S@](=O)C1(CNc2nc(NCC3([S@](C)=O)CC3)nc(N3CCOCC3)n2)CC1 ZINC000440539290 1072227891 /nfs/dbraw/zinc/22/78/91/1072227891.db2.gz UEQTZMSIJYYXBK-NSOVKSMOSA-N 0 3 428.584 -0.802 20 0 IBADHN C[S@@](=O)C1(CNc2nc(NCC3([S@@](C)=O)CC3)nc(N3CCOCC3)n2)CC1 ZINC000440539291 1072227915 /nfs/dbraw/zinc/22/79/15/1072227915.db2.gz UEQTZMSIJYYXBK-VSGBNLITSA-N 0 3 428.584 -0.802 20 0 IBADHN C[C@@H]1CN(C[C@H](O)CN2CCN(C[C@H](O)CN3C[C@H](C)O[C@@H](C)C3)[C@H](C)C2)C[C@@H](C)O1 ZINC000440582003 1071519191 /nfs/dbraw/zinc/51/91/91/1071519191.db2.gz ZOZSBJJBKNKNHP-HGYFENDRSA-N 0 3 442.645 -0.067 20 0 IBADHN C[C@@H]1CN(C[C@H](O)CN2CCN(C[C@H](O)CN3C[C@H](C)O[C@@H](C)C3)[C@H](C)C2)C[C@H](C)O1 ZINC000440582007 1071519179 /nfs/dbraw/zinc/51/91/79/1071519179.db2.gz ZOZSBJJBKNKNHP-QJMSMHCNSA-N 0 3 442.645 -0.067 20 0 IBADHN C[C@@H]1CN(C[C@H](O)CN2CCN(C[C@H](O)CN3C[C@@H](C)O[C@@H](C)C3)[C@H](C)C2)C[C@H](C)O1 ZINC000440582009 1071518957 /nfs/dbraw/zinc/51/89/57/1071518957.db2.gz ZOZSBJJBKNKNHP-XANNLXTESA-N 0 3 442.645 -0.067 20 0 IBADHN C[C@@H]1CN(C[C@H](O)CN2CCN(C[C@H](O)CN3C[C@@H](C)O[C@@H](C)C3)[C@H](C)C2)C[C@@H](C)O1 ZINC000440582011 1071519007 /nfs/dbraw/zinc/51/90/07/1071519007.db2.gz ZOZSBJJBKNKNHP-XRWAXFQNSA-N 0 3 442.645 -0.067 20 0 IBADHN Cc1nc(CN2CCN(C(=O)C(=O)Nc3ccc(NC(=O)CN(C)C)cc3)CC2)n[nH]1 ZINC000440755107 1072237763 /nfs/dbraw/zinc/23/77/63/1072237763.db2.gz CLJPHRPZGJZXTA-UHFFFAOYSA-N 0 3 428.497 -0.104 20 0 IBADHN NC(=O)C1CCN(Cc2cccc(NC(=O)C(=O)N3CCN4C(=O)N=NC4C3)c2)CC1 ZINC000440802899 1072241624 /nfs/dbraw/zinc/24/16/24/1072241624.db2.gz LBFCUGDUTBTAQF-UHFFFAOYSA-N 0 3 427.465 -0.338 20 0 IBADHN CN(C[C@H](O)CN1CCOCC1)C(=O)C(=O)Nc1ccc(OC2CCN(C)CC2)nc1 ZINC000440977127 1072247445 /nfs/dbraw/zinc/24/74/45/1072247445.db2.gz AREDCKPSMDQVPG-KRWDZBQOSA-N 0 3 435.525 -0.355 20 0 IBADHN CN(C[C@@H](O)CN1CCOCC1)C(=O)C(=O)Nc1ccc(OC2CCN(C)CC2)nc1 ZINC000440977130 1072247202 /nfs/dbraw/zinc/24/72/02/1072247202.db2.gz AREDCKPSMDQVPG-QGZVFWFLSA-N 0 3 435.525 -0.355 20 0 IBADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)N(C)C[C@H](O)CN3CCOCC3)cc2)CC1 ZINC000440977232 1072247456 /nfs/dbraw/zinc/24/74/56/1072247456.db2.gz BGKLRIMGHSLDDO-NRFANRHFSA-N 0 3 447.580 -0.086 20 0 IBADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)N(C)C[C@@H](O)CN3CCOCC3)cc2)CC1 ZINC000440977233 1072247091 /nfs/dbraw/zinc/24/70/91/1072247091.db2.gz BGKLRIMGHSLDDO-OAQYLSRUSA-N 0 3 447.580 -0.086 20 0 IBADHN Cc1nc(S(=O)(=O)N2CCN(C(=O)NCCN3CCN(C)C(C)(C)C3)CC2)cn1C ZINC000440978278 1072248055 /nfs/dbraw/zinc/24/80/55/1072248055.db2.gz KICDGBCSWZBLRO-UHFFFAOYSA-N 0 3 441.602 -0.230 20 0 IBADHN COCCCNC(=O)[C@@H](C)N1CCN(C(=O)NCCN2CCN(C)C(C)(C)C2)CC1 ZINC000440979843 1072247935 /nfs/dbraw/zinc/24/79/35/1072247935.db2.gz MBXHDQOPBIAXCO-GOSISDBHSA-N 0 3 426.606 -0.119 20 0 IBADHN COCCCNC(=O)[C@H](C)N1CCN(C(=O)NCCN2CCN(C)C(C)(C)C2)CC1 ZINC000440979849 1072247801 /nfs/dbraw/zinc/24/78/01/1072247801.db2.gz MBXHDQOPBIAXCO-SFHVURJKSA-N 0 3 426.606 -0.119 20 0 IBADHN CCN1CCN(c2cccc(NC(=O)C(=O)N(C)C[C@H](O)CN3CCOCC3)c2)CC1 ZINC000440984814 1072246633 /nfs/dbraw/zinc/24/66/33/1072246633.db2.gz OHJDNFUFWAZHGP-FQEVSTJZSA-N 0 3 433.553 -0.082 20 0 IBADHN CCN1CCN(c2cccc(NC(=O)C(=O)N(C)C[C@@H](O)CN3CCOCC3)c2)CC1 ZINC000440984818 1072246756 /nfs/dbraw/zinc/24/67/56/1072246756.db2.gz OHJDNFUFWAZHGP-HXUWFJFHSA-N 0 3 433.553 -0.082 20 0 IBADHN CN1CCN(CCNC(=O)N2CCN(S(=O)(=O)Cc3ccon3)CC2)CC1(C)C ZINC000440986249 1072246699 /nfs/dbraw/zinc/24/66/99/1072246699.db2.gz QFXIYTZUPNRUMB-UHFFFAOYSA-N 0 3 428.559 -0.142 20 0 IBADHN Cn1cc(S(=O)(=O)N2CCC(NC(=O)NCCN3CCN(C)C(C)(C)C3)CC2)cn1 ZINC000441013176 1072252681 /nfs/dbraw/zinc/25/26/81/1072252681.db2.gz NGDLXRCNHHOGCH-UHFFFAOYSA-N 0 3 441.602 -0.102 20 0 IBADHN CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)NCCN2CCN(C)C(C)(C)C2)c1 ZINC000441015748 1072253150 /nfs/dbraw/zinc/25/31/50/1072253150.db2.gz KYFMZEUBSLBRBC-UHFFFAOYSA-N 0 3 440.570 -0.142 20 0 IBADHN CN1CCN(CCNC(=O)NC2CCN(S(=O)(=O)N3CCOCC3)CC2)CC1(C)C ZINC000441045163 1072253679 /nfs/dbraw/zinc/25/36/79/1072253679.db2.gz BLAGUTCACLHYMS-UHFFFAOYSA-N 0 3 446.618 -0.647 20 0 IBADHN CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)NC[C@H](C)CN2CCN(C)CC2)c1 ZINC000441065165 1072254193 /nfs/dbraw/zinc/25/41/93/1072254193.db2.gz MUTFEDSMMPEKNZ-HNNXBMFYSA-N 0 3 440.570 -0.284 20 0 IBADHN CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)NC[C@@H](C)CN2CCN(C)CC2)c1 ZINC000441065166 1072254416 /nfs/dbraw/zinc/25/44/16/1072254416.db2.gz MUTFEDSMMPEKNZ-OAHLLOKOSA-N 0 3 440.570 -0.284 20 0 IBADHN CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)NC2CCN(CCOC)CC2)c1 ZINC000441340801 1072267538 /nfs/dbraw/zinc/26/75/38/1072267538.db2.gz QYUKAEQVRRDKEX-UHFFFAOYSA-N 0 3 427.527 -0.057 20 0 IBADHN COCCNC(=O)CNC(=O)C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCCN(C)C2)cc1 ZINC000441565595 1072298963 /nfs/dbraw/zinc/29/89/63/1072298963.db2.gz AJHWRLIYNNXAKR-KRWDZBQOSA-N 0 3 433.509 -0.330 20 0 IBADHN COCCNC(=O)CNC(=O)C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCCN(C)C2)cc1 ZINC000441565609 1072299147 /nfs/dbraw/zinc/29/91/47/1072299147.db2.gz AJHWRLIYNNXAKR-QGZVFWFLSA-N 0 3 433.509 -0.330 20 0 IBADHN CN(C(=O)c1ccc(NC(=O)C(=O)NCCNS(C)(=O)=O)cc1)[C@H]1CCCN(C)C1 ZINC000441599844 1072302878 /nfs/dbraw/zinc/30/28/78/1072302878.db2.gz QVACPFMTADMFAV-INIZCTEOSA-N 0 3 439.538 -0.543 20 0 IBADHN CN(C(=O)c1ccc(NC(=O)C(=O)NCCNS(C)(=O)=O)cc1)[C@@H]1CCCN(C)C1 ZINC000441599846 1072302974 /nfs/dbraw/zinc/30/29/74/1072302974.db2.gz QVACPFMTADMFAV-MRXNPFEDSA-N 0 3 439.538 -0.543 20 0 IBADHN CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NCCCN1CCN(C)CC1)CC2 ZINC000441601588 1072302998 /nfs/dbraw/zinc/30/29/98/1072302998.db2.gz UCXCWZRXPOACIK-UHFFFAOYSA-N 0 3 437.566 -0.372 20 0 IBADHN O=C(CN1CCCC1)N1CCN(C(=O)NC2CCN(S(=O)(=O)C3CC3)CC2)CC1 ZINC000441688379 1072314056 /nfs/dbraw/zinc/31/40/56/1072314056.db2.gz GWIQQEBJLMNNME-UHFFFAOYSA-N 0 3 427.571 -0.107 20 0 IBADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)Nc2ccc(C)c(S(N)(=O)=O)c2)CC1 ZINC000441699396 1072314739 /nfs/dbraw/zinc/31/47/39/1072314739.db2.gz XYXDCBNOBGLIJB-AWEZNQCLSA-N 0 3 425.555 -0.029 20 0 IBADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)Nc2ccc(C)c(S(N)(=O)=O)c2)CC1 ZINC000441699399 1072314844 /nfs/dbraw/zinc/31/48/44/1072314844.db2.gz XYXDCBNOBGLIJB-CQSZACIVSA-N 0 3 425.555 -0.029 20 0 IBADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)Nc2ccc(OC)c(-n3cnnn3)c2)CC1 ZINC000441705512 1072315937 /nfs/dbraw/zinc/31/59/37/1072315937.db2.gz LSMWQHKVNRCKTA-HNNXBMFYSA-N 0 3 430.513 -0.001 20 0 IBADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)Nc2ccc(OC)c(-n3cnnn3)c2)CC1 ZINC000441705513 1072315561 /nfs/dbraw/zinc/31/55/61/1072315561.db2.gz LSMWQHKVNRCKTA-OAHLLOKOSA-N 0 3 430.513 -0.001 20 0 IBADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)Nc2cc(F)cc(S(N)(=O)=O)c2)CC1 ZINC000441705996 1072315727 /nfs/dbraw/zinc/31/57/27/1072315727.db2.gz XRGBUIKWEJMQTQ-CYBMUJFWSA-N 0 3 429.518 -0.199 20 0 IBADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)Nc2cc(F)cc(S(N)(=O)=O)c2)CC1 ZINC000441705997 1072315648 /nfs/dbraw/zinc/31/56/48/1072315648.db2.gz XRGBUIKWEJMQTQ-ZDUSSCGKSA-N 0 3 429.518 -0.199 20 0 IBADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)Nc2cccc(S(=O)(=O)NC)c2)CC1 ZINC000441707053 1072315893 /nfs/dbraw/zinc/31/58/93/1072315893.db2.gz LSBCNTUMJDEBEV-HNNXBMFYSA-N 0 3 425.555 -0.077 20 0 IBADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)Nc2cccc(S(=O)(=O)NC)c2)CC1 ZINC000441707054 1072315776 /nfs/dbraw/zinc/31/57/76/1072315776.db2.gz LSBCNTUMJDEBEV-OAHLLOKOSA-N 0 3 425.555 -0.077 20 0 IBADHN C[C@H](NC(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1)[C@@H](c1ccccc1)N(C)C ZINC000441717313 1072316870 /nfs/dbraw/zinc/31/68/70/1072316870.db2.gz PQPWSHRERCRUDM-JXFKEZNVSA-N 0 3 442.520 0.488 20 0 IBADHN C[C@H](NC(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1)[C@H](c1ccccc1)N(C)C ZINC000441717315 1072316915 /nfs/dbraw/zinc/31/69/15/1072316915.db2.gz PQPWSHRERCRUDM-OXJNMPFZSA-N 0 3 442.520 0.488 20 0 IBADHN C[C@@H](NC(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1)[C@H](c1ccccc1)N(C)C ZINC000441717319 1072316840 /nfs/dbraw/zinc/31/68/40/1072316840.db2.gz PQPWSHRERCRUDM-OXQOHEQNSA-N 0 3 442.520 0.488 20 0 IBADHN C[C@@H](NC(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1)[C@@H](c1ccccc1)N(C)C ZINC000441717323 1072316960 /nfs/dbraw/zinc/31/69/60/1072316960.db2.gz PQPWSHRERCRUDM-UZLBHIALSA-N 0 3 442.520 0.488 20 0 IBADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)NCc3cn(CC(=O)OC)nn3)cc2)CC1 ZINC000441774626 1072321495 /nfs/dbraw/zinc/32/14/95/1072321495.db2.gz JGWWUUHTNMVXHV-UHFFFAOYSA-N 0 3 443.508 -0.157 20 0 IBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)Nc2ccc(OC)c(-n3cnnn3)c2)CC1 ZINC000441826791 1072358628 /nfs/dbraw/zinc/35/86/28/1072358628.db2.gz KYGKRKXLKBUHMC-UHFFFAOYSA-N 0 3 444.496 -0.378 20 0 IBADHN COc1ccc(NC(=O)C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)cc1-n1cnnn1 ZINC000441835263 1072364945 /nfs/dbraw/zinc/36/49/45/1072364945.db2.gz HDWOFVLULYUGRG-HNNXBMFYSA-N 0 3 444.496 -0.332 20 0 IBADHN COc1ccc(NC(=O)C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)cc1-n1cnnn1 ZINC000441835264 1072364920 /nfs/dbraw/zinc/36/49/20/1072364920.db2.gz HDWOFVLULYUGRG-OAHLLOKOSA-N 0 3 444.496 -0.332 20 0 IBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)Nc2ccc3c(c2)N(C)C(=O)CO3)CC1 ZINC000441836094 1072364891 /nfs/dbraw/zinc/36/48/91/1072364891.db2.gz XIFRKKKIFPRGNH-UHFFFAOYSA-N 0 3 431.493 -0.007 20 0 IBADHN CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)N(CCOC)CCN(C)C)CC2 ZINC000441836273 1072365031 /nfs/dbraw/zinc/36/50/31/1072365031.db2.gz DULUIEJUXYUZBP-UHFFFAOYSA-N 0 3 426.539 -0.090 20 0 IBADHN CN1C(=O)COc2ccc(NC(=O)C(=O)N3CCN(C(=O)CN4CCCC4)CC3)cc21 ZINC000441852347 1072366850 /nfs/dbraw/zinc/36/68/50/1072366850.db2.gz XSGDEGXZAJDBIU-UHFFFAOYSA-N 0 3 429.477 -0.253 20 0 IBADHN COc1ccc(NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)cc1-n1cnnn1 ZINC000441856665 1072365516 /nfs/dbraw/zinc/36/55/16/1072365516.db2.gz TXJIOJQPKSNUQK-UHFFFAOYSA-N 0 3 442.480 -0.624 20 0 IBADHN CN1CCN(CCNC(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)CC1(C)C ZINC000441895748 1072369047 /nfs/dbraw/zinc/36/90/47/1072369047.db2.gz XVUGSRSDZXADJV-UHFFFAOYSA-N 0 3 432.573 -0.160 20 0 IBADHN CN(CCN(C)C1CC1)C(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000441955773 1072372131 /nfs/dbraw/zinc/37/21/31/1072372131.db2.gz SAEVQSFKOWURAO-UHFFFAOYSA-N 0 3 437.522 -0.702 20 0 IBADHN CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NC[C@H](C)CN1CCN(C)CC1)CC2 ZINC000441962107 1072374102 /nfs/dbraw/zinc/37/41/02/1072374102.db2.gz UZILKCZFICELRZ-HNNXBMFYSA-N 0 3 437.566 -0.517 20 0 IBADHN CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NC[C@@H](C)CN1CCN(C)CC1)CC2 ZINC000441962110 1072374042 /nfs/dbraw/zinc/37/40/42/1072374042.db2.gz UZILKCZFICELRZ-OAHLLOKOSA-N 0 3 437.566 -0.517 20 0 IBADHN CC(C)N1CCN(c2cccc(NC(=O)C(=O)N3CCN4C(=O)C(=O)NC[C@@H]4C3)c2)CC1 ZINC000441987267 1072379234 /nfs/dbraw/zinc/37/92/34/1072379234.db2.gz NBJIFGMZZXMBIB-GOSISDBHSA-N 0 3 442.520 -0.675 20 0 IBADHN CC(C)N1CCN(c2cccc(NC(=O)C(=O)N3CCN4C(=O)C(=O)NC[C@H]4C3)c2)CC1 ZINC000441987270 1072379283 /nfs/dbraw/zinc/37/92/83/1072379283.db2.gz NBJIFGMZZXMBIB-SFHVURJKSA-N 0 3 442.520 -0.675 20 0 IBADHN CCN1CCN(c2ccc(NC(=O)C(=O)N3CCN4C(=O)C(=O)NC[C@H]4C3)c(C)c2)CC1 ZINC000441995884 1072381728 /nfs/dbraw/zinc/38/17/28/1072381728.db2.gz YUDSHLXRDWSJAK-KRWDZBQOSA-N 0 3 442.520 -0.755 20 0 IBADHN CCN1CCN(c2ccc(NC(=O)C(=O)N3CCN4C(=O)C(=O)NC[C@@H]4C3)c(C)c2)CC1 ZINC000441995885 1072381620 /nfs/dbraw/zinc/38/16/20/1072381620.db2.gz YUDSHLXRDWSJAK-QGZVFWFLSA-N 0 3 442.520 -0.755 20 0 IBADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)NC[C@@](C)(O)CN3CCOCC3)cc2)CC1 ZINC000442010838 1072386297 /nfs/dbraw/zinc/38/62/97/1072386297.db2.gz IXWWSKONPAJJJR-HSZRJFAPSA-N 0 3 447.580 -0.038 20 0 IBADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)NC[C@](C)(O)CN3CCOCC3)cc2)CC1 ZINC000442010839 1072386208 /nfs/dbraw/zinc/38/62/08/1072386208.db2.gz IXWWSKONPAJJJR-QHCPKHFHSA-N 0 3 447.580 -0.038 20 0 IBADHN O=C(Nc1ccc(CCN2CCSCC2)cc1)C(=O)N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC000442010968 1072386077 /nfs/dbraw/zinc/38/60/77/1072386077.db2.gz KZLKRHCYXNKCNX-KRWDZBQOSA-N 0 3 445.545 -0.614 20 0 IBADHN O=C(Nc1ccc(CCN2CCSCC2)cc1)C(=O)N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC000442010972 1072386137 /nfs/dbraw/zinc/38/61/37/1072386137.db2.gz KZLKRHCYXNKCNX-QGZVFWFLSA-N 0 3 445.545 -0.614 20 0 IBADHN CCN1CCN(c2ccc(NC(=O)C(=O)N3CCN4C(=O)NC(=O)[C@@H]4C3)c(C)c2)CC1 ZINC000442032765 1072393735 /nfs/dbraw/zinc/39/37/35/1072393735.db2.gz OKVFSWSDUGNRQJ-KRWDZBQOSA-N 0 3 428.493 -0.162 20 0 IBADHN CCN1CCN(c2ccc(NC(=O)C(=O)N3CCN4C(=O)NC(=O)[C@H]4C3)c(C)c2)CC1 ZINC000442032767 1072393688 /nfs/dbraw/zinc/39/36/88/1072393688.db2.gz OKVFSWSDUGNRQJ-QGZVFWFLSA-N 0 3 428.493 -0.162 20 0 IBADHN CN1CCN(Cc2cccc(NC(=O)C(=O)NC[C@@](C)(O)CN3CCOCC3)c2)CC1 ZINC000442032819 1072393626 /nfs/dbraw/zinc/39/36/26/1072393626.db2.gz OQDPXRCYTMUWFT-JOCHJYFZSA-N 0 3 433.553 -0.428 20 0 IBADHN CN1CCN(Cc2cccc(NC(=O)C(=O)NC[C@](C)(O)CN3CCOCC3)c2)CC1 ZINC000442032821 1072393052 /nfs/dbraw/zinc/39/30/52/1072393052.db2.gz OQDPXRCYTMUWFT-QFIPXVFZSA-N 0 3 433.553 -0.428 20 0 IBADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)N3CCN4C(=O)NC(=O)[C@@H]4C3)cc2)CC1 ZINC000442037977 1072395054 /nfs/dbraw/zinc/39/50/54/1072395054.db2.gz WPYAKHOOTKOTSK-KRWDZBQOSA-N 0 3 428.493 -0.475 20 0 IBADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)N3CCN4C(=O)NC(=O)[C@H]4C3)cc2)CC1 ZINC000442037979 1072395200 /nfs/dbraw/zinc/39/52/00/1072395200.db2.gz WPYAKHOOTKOTSK-QGZVFWFLSA-N 0 3 428.493 -0.475 20 0 IBADHN CC(C)N1CCN(c2cccc(NC(=O)C(=O)N3CCN4C(=O)NC(=O)[C@@H]4C3)c2)CC1 ZINC000442045341 1072398394 /nfs/dbraw/zinc/39/83/94/1072398394.db2.gz MYHKBNKIDCNDBL-KRWDZBQOSA-N 0 3 428.493 -0.082 20 0 IBADHN CC(C)N1CCN(c2cccc(NC(=O)C(=O)N3CCN4C(=O)NC(=O)[C@H]4C3)c2)CC1 ZINC000442045343 1072398411 /nfs/dbraw/zinc/39/84/11/1072398411.db2.gz MYHKBNKIDCNDBL-QGZVFWFLSA-N 0 3 428.493 -0.082 20 0 IBADHN CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NCCN(C)CCCOC)CC2 ZINC000442117679 1072403922 /nfs/dbraw/zinc/40/39/22/1072403922.db2.gz BQCAEIMOCZVWJF-UHFFFAOYSA-N 0 3 426.539 -0.042 20 0 IBADHN COCCCN(C)CCNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000442138994 1072404480 /nfs/dbraw/zinc/40/44/80/1072404480.db2.gz ZXEBOQYQTFTXIX-UHFFFAOYSA-N 0 3 442.538 -0.270 20 0 IBADHN COCCCN(C)CCNC(=O)C(=O)N1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21 ZINC000442161146 1072406417 /nfs/dbraw/zinc/40/64/17/1072406417.db2.gz ZGPXKXNDBADJFE-IBGZPJMESA-N 0 3 448.520 -0.276 20 0 IBADHN COCCCN(C)CCNC(=O)C(=O)N1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21 ZINC000442161149 1072406489 /nfs/dbraw/zinc/40/64/89/1072406489.db2.gz ZGPXKXNDBADJFE-LJQANCHMSA-N 0 3 448.520 -0.276 20 0 IBADHN COCCCN(C)CCNC(=O)C(=O)Nc1cccc(N2CCS(=O)(=O)CC2)c1 ZINC000442163381 1072405775 /nfs/dbraw/zinc/40/57/75/1072405775.db2.gz PZHNZLKYOWPXRB-UHFFFAOYSA-N 0 3 426.539 -0.056 20 0 IBADHN COCCCN(C)CCNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000442174932 1072407036 /nfs/dbraw/zinc/40/70/36/1072407036.db2.gz SDMUEDXLDXCFTB-UHFFFAOYSA-N 0 3 442.538 -0.270 20 0 IBADHN CN(C(=O)c1ccc(NC(=O)C(=O)N2CCO[C@@H](C(N)=O)C2)cc1)[C@H]1CCCN(C)C1 ZINC000442182712 1072407902 /nfs/dbraw/zinc/40/79/02/1072407902.db2.gz IZFNCOMDTMHZME-DLBZAZTESA-N 0 3 431.493 -0.496 20 0 IBADHN CN(C(=O)c1ccc(NC(=O)C(=O)N2CCO[C@@H](C(N)=O)C2)cc1)[C@@H]1CCCN(C)C1 ZINC000442182730 1072407876 /nfs/dbraw/zinc/40/78/76/1072407876.db2.gz IZFNCOMDTMHZME-IAGOWNOFSA-N 0 3 431.493 -0.496 20 0 IBADHN CN(C(=O)c1ccc(NC(=O)C(=O)N2CCO[C@H](C(N)=O)C2)cc1)[C@H]1CCCN(C)C1 ZINC000442182731 1072407835 /nfs/dbraw/zinc/40/78/35/1072407835.db2.gz IZFNCOMDTMHZME-IRXDYDNUSA-N 0 3 431.493 -0.496 20 0 IBADHN CN(C(=O)c1ccc(NC(=O)C(=O)N2CCO[C@H](C(N)=O)C2)cc1)[C@@H]1CCCN(C)C1 ZINC000442182733 1072407917 /nfs/dbraw/zinc/40/79/17/1072407917.db2.gz IZFNCOMDTMHZME-SJORKVTESA-N 0 3 431.493 -0.496 20 0 IBADHN CN(C)CCn1c(=O)oc2ccc(NC(=O)C(=O)N[C@H]3CCCN(CCO)C3=O)cc21 ZINC000442273032 1072414383 /nfs/dbraw/zinc/41/43/83/1072414383.db2.gz OVPWUVBZTHDQFE-AWEZNQCLSA-N 0 3 433.465 -0.806 20 0 IBADHN CN(C)CCn1c(=O)oc2ccc(NC(=O)C(=O)N[C@@H]3CCCN(CCO)C3=O)cc21 ZINC000442273038 1072414259 /nfs/dbraw/zinc/41/42/59/1072414259.db2.gz OVPWUVBZTHDQFE-CQSZACIVSA-N 0 3 433.465 -0.806 20 0 IBADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)N[C@H]3CCCN(CCO)C3=O)cc2)CC1 ZINC000442278494 1072416245 /nfs/dbraw/zinc/41/62/45/1072416245.db2.gz XECAPZMODSMDOF-IBGZPJMESA-N 0 3 431.537 -0.138 20 0 IBADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)N[C@@H]3CCCN(CCO)C3=O)cc2)CC1 ZINC000442278496 1072416258 /nfs/dbraw/zinc/41/62/58/1072416258.db2.gz XECAPZMODSMDOF-LJQANCHMSA-N 0 3 431.537 -0.138 20 0 IBADHN C[C@H](NC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)C1=CCN(C)CC1 ZINC000442342487 1072427273 /nfs/dbraw/zinc/42/72/73/1072427273.db2.gz SQDWIMBPNIRRQB-AWEZNQCLSA-N 0 3 449.533 -0.488 20 0 IBADHN C[C@@H](NC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)C1=CCN(C)CC1 ZINC000442342488 1072427307 /nfs/dbraw/zinc/42/73/07/1072427307.db2.gz SQDWIMBPNIRRQB-CQSZACIVSA-N 0 3 449.533 -0.488 20 0 IBADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)N3CC(n4cc(C(N)=O)nn4)C3)cc2)CC1 ZINC000442442993 1072434616 /nfs/dbraw/zinc/43/46/16/1072434616.db2.gz JBWJDRAKTNNYEE-UHFFFAOYSA-N 0 3 440.508 -0.464 20 0 IBADHN CCN1CCN(c2ccc(NC(=O)C(=O)N3CC(n4cc(C(N)=O)nn4)C3)c(C)c2)CC1 ZINC000442461369 1072436289 /nfs/dbraw/zinc/43/62/89/1072436289.db2.gz YOODIJDHUOTNAD-UHFFFAOYSA-N 0 3 440.508 -0.151 20 0 IBADHN COC(=O)c1cn(C2CN(C(=O)C(=O)Nc3ccc(OC4CCN(C)CC4)nc3)C2)nn1 ZINC000442472845 1072434999 /nfs/dbraw/zinc/43/49/99/1072434999.db2.gz NELXRIGKPSTIBP-UHFFFAOYSA-N 0 3 443.464 -0.045 20 0 IBADHN CCN1CCN(c2cccc(NC(=O)C(=O)N3CC(n4cc(C(N)=O)nn4)C3)c2)CC1 ZINC000442485649 1072437435 /nfs/dbraw/zinc/43/74/35/1072437435.db2.gz XSFQCJGKSFTJBU-UHFFFAOYSA-N 0 3 426.481 -0.459 20 0 IBADHN NC(=O)c1cn(C2CN(C(=O)C(=O)Nc3ccc(CCN4CCSCC4)cc3)C2)nn1 ZINC000442492643 1072438502 /nfs/dbraw/zinc/43/85/02/1072438502.db2.gz JUTKXGQFTGVWLN-UHFFFAOYSA-N 0 3 443.533 -0.010 20 0 IBADHN CC(C)N1CCN(c2cccc(NC(=O)C(=O)N3CC(n4cc(C(N)=O)nn4)C3)c2)CC1 ZINC000442496398 1072439158 /nfs/dbraw/zinc/43/91/58/1072439158.db2.gz RVCJYOICHRXKAW-UHFFFAOYSA-N 0 3 440.508 -0.071 20 0 IBADHN CN1CCN(CCNC(=O)N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)CC1(C)C ZINC000442608223 1072447699 /nfs/dbraw/zinc/44/76/99/1072447699.db2.gz KPQIUWRUWANDKT-KRWDZBQOSA-N 0 3 431.603 -0.152 20 0 IBADHN CN1CCN(CCNC(=O)N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)CC1(C)C ZINC000442608228 1072447785 /nfs/dbraw/zinc/44/77/85/1072447785.db2.gz KPQIUWRUWANDKT-QGZVFWFLSA-N 0 3 431.603 -0.152 20 0 IBADHN COCCN(CC(=O)NC(N)=O)CC1(c2ccccc2)CCN(CC(=O)NC(N)=O)CC1 ZINC000442888732 1072456748 /nfs/dbraw/zinc/45/67/48/1072456748.db2.gz HKYHVHWWCLLGLC-UHFFFAOYSA-N 0 3 448.524 -0.642 20 0 IBADHN CN1CCN(CCNC(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)CC1(C)C ZINC000442891987 1072456898 /nfs/dbraw/zinc/45/68/98/1072456898.db2.gz CZPNGBIGMBGUAJ-UHFFFAOYSA-N 0 3 437.566 -0.437 20 0 IBADHN C[C@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)[C@@H]1CO ZINC000442892333 1072456813 /nfs/dbraw/zinc/45/68/13/1072456813.db2.gz NADOQFKADARWQK-DOTOQJQBSA-N 0 3 439.534 -0.007 20 0 IBADHN C[C@@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)[C@@H]1CO ZINC000442892334 1072456912 /nfs/dbraw/zinc/45/69/12/1072456912.db2.gz NADOQFKADARWQK-NVXWUHKLSA-N 0 3 439.534 -0.007 20 0 IBADHN C[C@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)[C@H]1CO ZINC000442892335 1072456886 /nfs/dbraw/zinc/45/68/86/1072456886.db2.gz NADOQFKADARWQK-RDJZCZTQSA-N 0 3 439.534 -0.007 20 0 IBADHN C[C@@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)[C@H]1CO ZINC000442892336 1072456827 /nfs/dbraw/zinc/45/68/27/1072456827.db2.gz NADOQFKADARWQK-WBVHZDCISA-N 0 3 439.534 -0.007 20 0 IBADHN Cn1c2ccc(NC(=O)CCC(=O)NCCN3CCN(C)C(C)(C)C3)nc2n(C)c1=O ZINC000442897296 1073353921 /nfs/dbraw/zinc/35/39/21/1073353921.db2.gz MBEPWXPGRJVZSP-UHFFFAOYSA-N 0 3 431.541 0.133 20 0 IBADHN CN1CCN(CCNC(=O)c2cc(S(N)(=O)=O)ccc2N2CCOCC2)CC1(C)C ZINC000442907208 1072459160 /nfs/dbraw/zinc/45/91/60/1072459160.db2.gz YYCIVUMGHICWHG-UHFFFAOYSA-N 0 3 439.582 -0.074 20 0 IBADHN CCN(CC)CC(=O)N1CCN(S(=O)(=O)c2ccccc2S(=O)(=O)NC)CC1 ZINC000442943631 1072461106 /nfs/dbraw/zinc/46/11/06/1072461106.db2.gz NMKXLQHMGQKEAG-UHFFFAOYSA-N 0 3 432.568 -0.231 20 0 IBADHN CNS(=O)(=O)c1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000442958818 1072461787 /nfs/dbraw/zinc/46/17/87/1072461787.db2.gz XLQCLAXAWWOIGF-UHFFFAOYSA-N 0 3 430.552 -0.477 20 0 IBADHN CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)NCCN2CCN(C)C(C)(C)C2)c1 ZINC000442962974 1072462280 /nfs/dbraw/zinc/46/22/80/1072462280.db2.gz HSUDGHNOTAFHPB-UHFFFAOYSA-N 0 3 439.582 -0.191 20 0 IBADHN CN1CCN(CCNC(=O)[C@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)CC1(C)C ZINC000442973055 1072462985 /nfs/dbraw/zinc/46/29/85/1072462985.db2.gz CYSLTXBBSUHIBK-HNNXBMFYSA-N 0 3 437.566 -0.171 20 0 IBADHN CN1CCN(CCNC(=O)[C@@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)CC1(C)C ZINC000442973060 1072463126 /nfs/dbraw/zinc/46/31/26/1072463126.db2.gz CYSLTXBBSUHIBK-OAHLLOKOSA-N 0 3 437.566 -0.171 20 0 IBADHN CN1CCN(CCNC(=O)Cn2c3ccc(S(N)(=O)=O)cc3oc2=O)CC1(C)C ZINC000442975560 1072461938 /nfs/dbraw/zinc/46/19/38/1072461938.db2.gz RQIXNUGBCOIHDJ-UHFFFAOYSA-N 0 3 425.511 -0.616 20 0 IBADHN C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000442981808 1072463627 /nfs/dbraw/zinc/46/36/27/1072463627.db2.gz VVNZGTCPVYHIRP-AWEZNQCLSA-N 0 3 425.555 -0.406 20 0 IBADHN C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000442981810 1072463730 /nfs/dbraw/zinc/46/37/30/1072463730.db2.gz VVNZGTCPVYHIRP-CQSZACIVSA-N 0 3 425.555 -0.406 20 0 IBADHN CNS(=O)(=O)c1ccccc1S(=O)(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000443015566 1072465519 /nfs/dbraw/zinc/46/55/19/1072465519.db2.gz GORZUZYOADFABN-AWEZNQCLSA-N 0 3 430.552 -0.478 20 0 IBADHN CNS(=O)(=O)c1ccccc1S(=O)(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000443015568 1072465562 /nfs/dbraw/zinc/46/55/62/1072465562.db2.gz GORZUZYOADFABN-CQSZACIVSA-N 0 3 430.552 -0.478 20 0 IBADHN CNS(=O)(=O)c1cc(NC(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)ccc1C ZINC000443106184 1072470154 /nfs/dbraw/zinc/47/01/54/1072470154.db2.gz CZCBPEDLRNYFDP-UHFFFAOYSA-N 0 3 425.555 -0.016 20 0 IBADHN COC(=O)CNC(=O)c1ccc(NC(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)cc1 ZINC000443109334 1072470349 /nfs/dbraw/zinc/47/03/49/1072470349.db2.gz KRBGKVIOQNBSED-UHFFFAOYSA-N 0 3 433.509 -0.330 20 0 IBADHN COC(=O)CNC(=O)Cc1ccc(NC(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)cc1 ZINC000443110522 1072470763 /nfs/dbraw/zinc/47/07/63/1072470763.db2.gz NOSXRXCUOBOSDS-UHFFFAOYSA-N 0 3 447.536 -0.401 20 0 IBADHN CN1CCN(CCNC(=O)C(=O)Nc2ccc(C[C@H]3CC(=O)NC3=O)cc2)CC1(C)C ZINC000443114576 1072471629 /nfs/dbraw/zinc/47/16/29/1072471629.db2.gz WYYFENDMRAPGAR-INIZCTEOSA-N 0 3 429.521 -0.028 20 0 IBADHN CN1CCN(CCNC(=O)C(=O)Nc2ccc(C[C@@H]3CC(=O)NC3=O)cc2)CC1(C)C ZINC000443114577 1072471508 /nfs/dbraw/zinc/47/15/08/1072471508.db2.gz WYYFENDMRAPGAR-MRXNPFEDSA-N 0 3 429.521 -0.028 20 0 IBADHN CNS(=O)(=O)c1ccc(C)c(NC(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)c1 ZINC000443114749 1072471464 /nfs/dbraw/zinc/47/14/64/1072471464.db2.gz GNOZWUUVKJUHBS-UHFFFAOYSA-N 0 3 425.555 -0.016 20 0 IBADHN CCc1ccc(NC(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)cc1S(N)(=O)=O ZINC000443116650 1072471549 /nfs/dbraw/zinc/47/15/49/1072471549.db2.gz CQQOVCYWBVDODO-UHFFFAOYSA-N 0 3 425.555 -0.023 20 0 IBADHN CN1CCN(CCNC(=O)C(=O)Nc2cccc(CN3C(=O)CNC3=O)c2)CC1(C)C ZINC000443117472 1072471526 /nfs/dbraw/zinc/47/15/26/1072471526.db2.gz FRPASRFDEMNCDG-UHFFFAOYSA-N 0 3 430.509 -0.181 20 0 IBADHN CNS(=O)(=O)c1cccc(NC(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)c1C ZINC000443120640 1072472164 /nfs/dbraw/zinc/47/21/64/1072472164.db2.gz VQXNETVXRVELTN-UHFFFAOYSA-N 0 3 425.555 -0.016 20 0 IBADHN CN1CCN(CCNC(=O)C(=O)Nc2ccc(CNS(C)(=O)=O)cc2)CC1(C)C ZINC000443123886 1072472138 /nfs/dbraw/zinc/47/21/38/1072472138.db2.gz PONDXLQSZDZTQU-UHFFFAOYSA-N 0 3 425.555 -0.184 20 0 IBADHN CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NCCN1CCN(C)C(C)(C)C1)CC2 ZINC000443124394 1072472251 /nfs/dbraw/zinc/47/22/51/1072472251.db2.gz SAFFNSKNALVSQD-UHFFFAOYSA-N 0 3 437.566 -0.374 20 0 IBADHN C[NH+](C)CCn1ccc(NC(=O)C(=O)NCC[N-]S(=O)(=O)c2ccc(F)cc2F)n1 ZINC000443136585 1073307771 /nfs/dbraw/zinc/30/77/71/1073307771.db2.gz XHPNJJCONMEFLG-UHFFFAOYSA-N 0 3 444.464 -0.244 20 0 IBADHN C[NH+](C)CCN(CCOCCO)S(=O)(=O)c1ccc([N-]S(C)(=O)=O)cc1F ZINC000443296714 1072488758 /nfs/dbraw/zinc/48/87/58/1072488758.db2.gz DNTMAHDHGSLIIF-UHFFFAOYSA-N 0 3 427.520 -0.242 20 0 IBADHN COc1ccc(S(=O)(=O)NCC2CCN(CCO)CC2)cc1[C@]1(C)NC(=O)NC1=O ZINC000443299039 1072487150 /nfs/dbraw/zinc/48/71/50/1072487150.db2.gz ILTBFWLGSWEHGL-IBGZPJMESA-N 0 3 440.522 -0.268 20 0 IBADHN COc1ccc(S(=O)(=O)NCC2CCN(CCO)CC2)cc1[C@@]1(C)NC(=O)NC1=O ZINC000443299041 1072487549 /nfs/dbraw/zinc/48/75/49/1072487549.db2.gz ILTBFWLGSWEHGL-LJQANCHMSA-N 0 3 440.522 -0.268 20 0 IBADHN O=S(=O)(NCC1CCN(CCO)CC1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000443299319 1072487098 /nfs/dbraw/zinc/48/70/98/1072487098.db2.gz WMNLTGYXJYWDFN-UHFFFAOYSA-N 0 3 447.579 -0.310 20 0 IBADHN CN1CCN(Cc2ccc(CNC(=O)N3CCN(CCS(N)(=O)=O)CC3)cc2)CC1 ZINC000443483084 1072507997 /nfs/dbraw/zinc/50/79/97/1072507997.db2.gz AHZWIGWDNUGCON-UHFFFAOYSA-N 0 3 438.598 -0.450 20 0 IBADHN COC1CCN(C2(CNS(=O)(=O)N3CCN(S(C)(=O)=O)CC3)CCCC2)CC1 ZINC000443491294 1072511368 /nfs/dbraw/zinc/51/13/68/1072511368.db2.gz ZWDGESSNPFLISQ-UHFFFAOYSA-N 0 3 438.616 -0.178 20 0 IBADHN CN1CCN(Cc2ccc(CNS(=O)(=O)N3CCN(S(C)(=O)=O)CC3)cc2)CC1 ZINC000443524037 1072515578 /nfs/dbraw/zinc/51/55/78/1072515578.db2.gz VEYQPFMATCCCQQ-UHFFFAOYSA-N 0 3 445.611 -0.654 20 0 IBADHN CCN1CCN(CC(=O)N2C[C@@H]3CCCN(C(=O)CN4CCN(CC)CC4)[C@@H]3C2)CC1 ZINC000443545193 1072517706 /nfs/dbraw/zinc/51/77/06/1072517706.db2.gz VNUXFZCPSDYZCT-LEWJYISDSA-N 0 3 434.629 -0.289 20 0 IBADHN CN(CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1)CC(C)(C)CN1CCOCC1 ZINC000443644717 1070846953 /nfs/dbraw/zinc/84/69/53/1070846953.db2.gz ZCLALCUYUHDHNN-UHFFFAOYSA-N 0 3 439.601 -0.720 20 0 IBADHN CCS(=O)(=O)N1CC(CNC(=O)C(=O)Nc2ccc(OC3CCN(C)CC3)nc2)C1 ZINC000443757873 1072542342 /nfs/dbraw/zinc/54/23/42/1072542342.db2.gz PRVCHEXZQHIJFX-UHFFFAOYSA-N 0 3 439.538 -0.109 20 0 IBADHN CNS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCCN(C)C2)cc1 ZINC000443777884 1072548413 /nfs/dbraw/zinc/54/84/13/1072548413.db2.gz ZIZZMBBAIXDAOD-INIZCTEOSA-N 0 3 439.538 -0.543 20 0 IBADHN CNS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCCN(C)C2)cc1 ZINC000443777885 1072548358 /nfs/dbraw/zinc/54/83/58/1072548358.db2.gz ZIZZMBBAIXDAOD-MRXNPFEDSA-N 0 3 439.538 -0.543 20 0 IBADHN CNS(=O)(=O)CCNC(=O)C(=O)Nc1ccnn1[C@H]1CCN(Cc2ccccc2)C1 ZINC000443781607 1072549967 /nfs/dbraw/zinc/54/99/67/1072549967.db2.gz VJWAIUCKWFVVRE-INIZCTEOSA-N 0 3 434.522 -0.066 20 0 IBADHN CNS(=O)(=O)CCNC(=O)C(=O)Nc1ccnn1[C@@H]1CCN(Cc2ccccc2)C1 ZINC000443781608 1072550058 /nfs/dbraw/zinc/55/00/58/1072550058.db2.gz VJWAIUCKWFVVRE-MRXNPFEDSA-N 0 3 434.522 -0.066 20 0 IBADHN CCN1CCN(CCNC(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000444019650 1072564058 /nfs/dbraw/zinc/56/40/58/1072564058.db2.gz IJNVKIGCHXWCSZ-AEFFLSMTSA-N 0 3 428.530 -0.297 20 0 IBADHN NC(=O)[C@H]1CCCN(CCCNS(=O)(=O)c2ccccc2S(=O)(=O)NC2CC2)C1 ZINC000444069847 1072572208 /nfs/dbraw/zinc/57/22/08/1072572208.db2.gz IGRRLKLUWMIDGZ-AWEZNQCLSA-N 0 3 444.579 -0.007 20 0 IBADHN NC(=O)[C@@H]1CCCN(CCCNS(=O)(=O)c2ccccc2S(=O)(=O)NC2CC2)C1 ZINC000444069848 1072572070 /nfs/dbraw/zinc/57/20/70/1072572070.db2.gz IGRRLKLUWMIDGZ-CQSZACIVSA-N 0 3 444.579 -0.007 20 0 IBADHN CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)NCCCN1CCC[C@H](C(N)=O)C1 ZINC000444071049 1072572822 /nfs/dbraw/zinc/57/28/22/1072572822.db2.gz KWGDVNYPYUSCLL-AWEZNQCLSA-N 0 3 432.568 -0.197 20 0 IBADHN CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)NCCCN1CCC[C@@H](C(N)=O)C1 ZINC000444071050 1072572734 /nfs/dbraw/zinc/57/27/34/1072572734.db2.gz KWGDVNYPYUSCLL-CQSZACIVSA-N 0 3 432.568 -0.197 20 0 IBADHN CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000444073898 1072573253 /nfs/dbraw/zinc/57/32/53/1072573253.db2.gz HHTTWANWBHUJHW-UHFFFAOYSA-N 0 3 444.579 -0.134 20 0 IBADHN CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000444088068 1072575221 /nfs/dbraw/zinc/57/52/21/1072575221.db2.gz ICBVNMYDALGNOF-HNNXBMFYSA-N 0 3 444.579 -0.136 20 0 IBADHN CN(C)S(=O)(=O)c1ccccc1S(=O)(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000444088070 1072575279 /nfs/dbraw/zinc/57/52/79/1072575279.db2.gz ICBVNMYDALGNOF-OAHLLOKOSA-N 0 3 444.579 -0.136 20 0 IBADHN Cc1cnc(N2CCN(C(=O)CN(C)C)CC2)nc1N1CCN(C(=O)CN(C)C)CC1 ZINC000444113311 1072576735 /nfs/dbraw/zinc/57/67/35/1072576735.db2.gz REKDDINFZOPIBO-UHFFFAOYSA-N 0 3 432.573 -0.795 20 0 IBADHN CNC(=O)CN1CCC(Nc2ncc(C)c(NC3CCN(CC(=O)NC)CC3)n2)CC1 ZINC000444114139 1073312958 /nfs/dbraw/zinc/31/29/58/1073312958.db2.gz VQIUKDWLWFFPIT-UHFFFAOYSA-N 0 3 432.573 0.030 20 0 IBADHN COC[C@](C)(CCO)NCC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 ZINC000444248291 1072587645 /nfs/dbraw/zinc/58/76/45/1072587645.db2.gz REKXXGQOKNYKBZ-IBGZPJMESA-N 0 3 429.539 -0.095 20 0 IBADHN COC[C@@](C)(CCO)NCC(=O)N1CCN(S(=O)(=O)c2ccc(OC)cc2)CC1 ZINC000444248299 1072587616 /nfs/dbraw/zinc/58/76/16/1072587616.db2.gz REKXXGQOKNYKBZ-LJQANCHMSA-N 0 3 429.539 -0.095 20 0 IBADHN C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)COCC(=O)N1CCN(CC(C)(C)O)C[C@@H]1C ZINC000444386769 1072619309 /nfs/dbraw/zinc/61/93/09/1072619309.db2.gz FMYGZFUKYYRVOF-HDICACEKSA-N 0 3 442.601 -0.390 20 0 IBADHN C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)COCC(=O)N1CCN(CC(C)(C)O)C[C@H]1C ZINC000444386770 1072619176 /nfs/dbraw/zinc/61/91/76/1072619176.db2.gz FMYGZFUKYYRVOF-QZTJIDSGSA-N 0 3 442.601 -0.390 20 0 IBADHN C[C@H]1CN(CC(C)(C)O)CCN1C(=O)COCC(=O)N1CCN(CC(C)(C)O)C[C@@H]1C ZINC000444386771 1072619268 /nfs/dbraw/zinc/61/92/68/1072619268.db2.gz FMYGZFUKYYRVOF-ROUUACIJSA-N 0 3 442.601 -0.390 20 0 IBADHN NC(=O)c1cc(S(=O)(=O)NCC(=O)Nc2cccc(CN3CCC(O)CC3)c2)c[nH]1 ZINC000444453755 1072633643 /nfs/dbraw/zinc/63/36/43/1072633643.db2.gz KAAKRQREJPHVKV-UHFFFAOYSA-N 0 3 435.506 -0.013 20 0 IBADHN CN(C)C(=O)Cn1ccc(NC(=O)C(=O)NCc2ccc(CN3CCN(C)CC3)cc2)n1 ZINC000444502112 1072637559 /nfs/dbraw/zinc/63/75/59/1072637559.db2.gz MXYMHNHMZAQCQD-UHFFFAOYSA-N 0 3 441.536 -0.026 20 0 IBADHN C[C@H]1CN(CC2CCN(C(=O)C(=O)Nc3ccn(CC(=O)N(C)C)n3)CC2)C[C@H](C)O1 ZINC000444513312 1072642301 /nfs/dbraw/zinc/64/23/01/1072642301.db2.gz ZIBIPCRCZZLOAU-HOTGVXAUSA-N 0 3 434.541 0.258 20 0 IBADHN C[C@@H]1CN(CC2CCN(C(=O)C(=O)Nc3ccn(CC(=O)N(C)C)n3)CC2)C[C@@H](C)O1 ZINC000444513313 1072642465 /nfs/dbraw/zinc/64/24/65/1072642465.db2.gz ZIBIPCRCZZLOAU-HZPDHXFCSA-N 0 3 434.541 0.258 20 0 IBADHN C[C@@H]1CN(CC2CCN(C(=O)C(=O)Nc3ccn(CC(=O)N(C)C)n3)CC2)C[C@H](C)O1 ZINC000444513314 1072642587 /nfs/dbraw/zinc/64/25/87/1072642587.db2.gz ZIBIPCRCZZLOAU-IYBDPMFKSA-N 0 3 434.541 0.258 20 0 IBADHN CN(C)C(=O)Cn1ccc(NC(=O)C(=O)N[C@H]2CCN(Cc3ccccc3)C[C@@H]2CO)n1 ZINC000444515278 1072639923 /nfs/dbraw/zinc/63/99/23/1072639923.db2.gz LXZBIJLNALIXTN-MSOLQXFVSA-N 0 3 442.520 -0.091 20 0 IBADHN CN(C)C(=O)Cn1ccc(NC(=O)C(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@@H]2CO)n1 ZINC000444515279 1072639359 /nfs/dbraw/zinc/63/93/59/1072639359.db2.gz LXZBIJLNALIXTN-QZTJIDSGSA-N 0 3 442.520 -0.091 20 0 IBADHN CN(C)C(=O)Cn1ccc(NC(=O)C(=O)N[C@H]2CCN(Cc3ccccc3)C[C@H]2CO)n1 ZINC000444515280 1072640045 /nfs/dbraw/zinc/64/00/45/1072640045.db2.gz LXZBIJLNALIXTN-ROUUACIJSA-N 0 3 442.520 -0.091 20 0 IBADHN CN(C)C(=O)Cn1ccc(NC(=O)C(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@H]2CO)n1 ZINC000444515281 1072639273 /nfs/dbraw/zinc/63/92/73/1072639273.db2.gz LXZBIJLNALIXTN-ZWKOTPCHSA-N 0 3 442.520 -0.091 20 0 IBADHN C[C@@H]1CN(C(=O)COCC(=O)N2CCN(CC(C)(C)O)[C@@H](C)C2)CCN1CC(C)(C)O ZINC000444546899 1072642409 /nfs/dbraw/zinc/64/24/09/1072642409.db2.gz IPWKFYJAGSPCNH-HDICACEKSA-N 0 3 442.601 -0.390 20 0 IBADHN C[C@@H]1CN(C(=O)COCC(=O)N2CCN(CC(C)(C)O)[C@H](C)C2)CCN1CC(C)(C)O ZINC000444546900 1072642383 /nfs/dbraw/zinc/64/23/83/1072642383.db2.gz IPWKFYJAGSPCNH-QZTJIDSGSA-N 0 3 442.601 -0.390 20 0 IBADHN C[C@H]1CN(C(=O)COCC(=O)N2CCN(CC(C)(C)O)[C@@H](C)C2)CCN1CC(C)(C)O ZINC000444546901 1072642459 /nfs/dbraw/zinc/64/24/59/1072642459.db2.gz IPWKFYJAGSPCNH-ROUUACIJSA-N 0 3 442.601 -0.390 20 0 IBADHN C[C@H]1CN(CC(C)(C)O)CCN1CC(=O)N1CCN(c2ncnc3c2cnn3C)CC1 ZINC000444673113 1072651589 /nfs/dbraw/zinc/65/15/89/1072651589.db2.gz HWCVIGWFZLXOMO-INIZCTEOSA-N 0 3 430.557 -0.211 20 0 IBADHN C[C@@H]1CN(CC(C)(C)O)CCN1CC(=O)N1CCN(c2ncnc3c2cnn3C)CC1 ZINC000444673114 1072651557 /nfs/dbraw/zinc/65/15/57/1072651557.db2.gz HWCVIGWFZLXOMO-MRXNPFEDSA-N 0 3 430.557 -0.211 20 0 IBADHN O=C(CN(CCO)C1CCOCC1)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC000444768643 1072658278 /nfs/dbraw/zinc/65/82/78/1072658278.db2.gz FMYUGYDEJNXELK-FQEVSTJZSA-N 0 3 433.505 -0.030 20 0 IBADHN O=C(CN(CCO)C1CCOCC1)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC000444768646 1072658293 /nfs/dbraw/zinc/65/82/93/1072658293.db2.gz FMYUGYDEJNXELK-HXUWFJFHSA-N 0 3 433.505 -0.030 20 0 IBADHN Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)CN(CCO)C2CCOCC2)CC1 ZINC000444777052 1072658119 /nfs/dbraw/zinc/65/81/19/1072658119.db2.gz NWTGGAKYTWLMKF-UHFFFAOYSA-N 0 3 430.527 -0.402 20 0 IBADHN CCO[C@@H]1C[C@](CO)(NCC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C1(C)C ZINC000444797681 1071169573 /nfs/dbraw/zinc/16/95/73/1071169573.db2.gz DIQHMJZMSLQUBO-DYESRHJHSA-N 0 3 426.558 -0.855 20 0 IBADHN CCO[C@H]1C[C@](CO)(NCC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C1(C)C ZINC000444797682 1071169200 /nfs/dbraw/zinc/16/92/00/1071169200.db2.gz DIQHMJZMSLQUBO-LAUBAEHRSA-N 0 3 426.558 -0.855 20 0 IBADHN CCO[C@@H]1C[C@@](CO)(NCC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C1(C)C ZINC000444797683 1071169592 /nfs/dbraw/zinc/16/95/92/1071169592.db2.gz DIQHMJZMSLQUBO-UTKZUKDTSA-N 0 3 426.558 -0.855 20 0 IBADHN CCO[C@H]1C[C@@](CO)(NCC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C1(C)C ZINC000444797684 1071169451 /nfs/dbraw/zinc/16/94/51/1071169451.db2.gz DIQHMJZMSLQUBO-UWJYYQICSA-N 0 3 426.558 -0.855 20 0 IBADHN C[C@@H](O)CN1CCN(C(=O)C(=O)Nc2ccc(OCCN3CCN(C)CC3)cc2)CC1 ZINC000445161213 1072675594 /nfs/dbraw/zinc/67/55/94/1072675594.db2.gz QVQZWKFAMLGQBW-GOSISDBHSA-N 0 3 433.553 -0.224 20 0 IBADHN C[C@@H](O)CN1CCN(C(=O)C(=O)Nc2cccc(CN3CCC(C(N)=O)CC3)c2)CC1 ZINC000445163053 1072675647 /nfs/dbraw/zinc/67/56/47/1072675647.db2.gz GXDLAIAOZLRSLQ-MRXNPFEDSA-N 0 3 431.537 -0.153 20 0 IBADHN COC(=O)[C@@H]1[C@H](O)CCCN1C(=O)C(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1 ZINC000445173524 1072680069 /nfs/dbraw/zinc/68/00/69/1072680069.db2.gz NBJYQSUMFWYTAM-MSOLQXFVSA-N 0 3 446.504 -0.153 20 0 IBADHN COC(=O)[C@H]1[C@H](O)CCCN1C(=O)C(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1 ZINC000445173525 1072680029 /nfs/dbraw/zinc/68/00/29/1072680029.db2.gz NBJYQSUMFWYTAM-QZTJIDSGSA-N 0 3 446.504 -0.153 20 0 IBADHN COC(=O)[C@@H]1[C@@H](O)CCCN1C(=O)C(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1 ZINC000445173526 1072680000 /nfs/dbraw/zinc/68/00/00/1072680000.db2.gz NBJYQSUMFWYTAM-ROUUACIJSA-N 0 3 446.504 -0.153 20 0 IBADHN COC(=O)[C@H]1[C@@H](O)CCCN1C(=O)C(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1 ZINC000445173527 1072680018 /nfs/dbraw/zinc/68/00/18/1072680018.db2.gz NBJYQSUMFWYTAM-ZWKOTPCHSA-N 0 3 446.504 -0.153 20 0 IBADHN COC(=O)[C@H]1[C@H](O)CCCN1C(=O)C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1 ZINC000445195902 1072681329 /nfs/dbraw/zinc/68/13/29/1072681329.db2.gz QKTVAOBLXYJZEJ-GDBMZVCRSA-N 0 3 434.449 -0.381 20 0 IBADHN COC(=O)[C@H]1[C@@H](O)CCCN1C(=O)C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1 ZINC000445195905 1072681317 /nfs/dbraw/zinc/68/13/17/1072681317.db2.gz QKTVAOBLXYJZEJ-GOEBONIOSA-N 0 3 434.449 -0.381 20 0 IBADHN COC(=O)[C@@H]1[C@@H](O)CCCN1C(=O)C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1 ZINC000445195907 1070829929 /nfs/dbraw/zinc/82/99/29/1070829929.db2.gz QKTVAOBLXYJZEJ-HOCLYGCPSA-N 0 3 434.449 -0.381 20 0 IBADHN COC(=O)[C@@H]1[C@H](O)CCCN1C(=O)C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1 ZINC000445195909 1072681243 /nfs/dbraw/zinc/68/12/43/1072681243.db2.gz QKTVAOBLXYJZEJ-ZBFHGGJFSA-N 0 3 434.449 -0.381 20 0 IBADHN COCCN(C(=O)CN[C@H]1CCCC[C@@H]1C(N)=O)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000445795080 1072706564 /nfs/dbraw/zinc/70/65/64/1072706564.db2.gz SIAFRHVYTRTXEX-KBPBESRZSA-N 0 3 438.529 -0.200 20 0 IBADHN COCCN(C(=O)CN[C@H]1CCCC[C@H]1C(N)=O)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000445795081 1072706450 /nfs/dbraw/zinc/70/64/50/1072706450.db2.gz SIAFRHVYTRTXEX-KGLIPLIRSA-N 0 3 438.529 -0.200 20 0 IBADHN COCCN(C(=O)CN[C@@H]1CCCC[C@@H]1C(N)=O)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000445795082 1072706623 /nfs/dbraw/zinc/70/66/23/1072706623.db2.gz SIAFRHVYTRTXEX-UONOGXRCSA-N 0 3 438.529 -0.200 20 0 IBADHN COCCN(C(=O)CN[C@@H]1CCCC[C@H]1C(N)=O)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000445795083 1072706420 /nfs/dbraw/zinc/70/64/20/1072706420.db2.gz SIAFRHVYTRTXEX-ZIAGYGMSSA-N 0 3 438.529 -0.200 20 0 IBADHN CN(C)CCN(C)C(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCCN(C)CC2)c1 ZINC000445916789 1072710048 /nfs/dbraw/zinc/71/00/48/1072710048.db2.gz CDMDUMDOZJTWDE-UHFFFAOYSA-N 0 3 425.555 -0.029 20 0 IBADHN COc1ccc(NC(=O)C(=O)N(C)CCN(C)C)cc1S(=O)(=O)N1CCOCC1 ZINC000445919202 1072710253 /nfs/dbraw/zinc/71/02/53/1072710253.db2.gz HUVLNAFOZNLNMP-UHFFFAOYSA-N 0 3 428.511 -0.325 20 0 IBADHN CN(C)CCN(C)C(=O)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1 ZINC000445920260 1072710101 /nfs/dbraw/zinc/71/01/01/1072710101.db2.gz VAXUDZCBRRKORZ-UHFFFAOYSA-N 0 3 441.554 -0.268 20 0 IBADHN COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1NC(=O)C(=O)N(C)CCN(C)C ZINC000445920592 1072710145 /nfs/dbraw/zinc/71/01/45/1072710145.db2.gz WEPDVCPJESRJAS-UHFFFAOYSA-N 0 3 441.554 -0.410 20 0 IBADHN CCN1CCN(S(=O)(=O)c2cccc(NC(=O)C(=O)N(C)CCN(C)C)c2)CC1 ZINC000445936270 1072711968 /nfs/dbraw/zinc/71/19/68/1072711968.db2.gz YQRVDFKEEMDFRW-UHFFFAOYSA-N 0 3 425.555 -0.029 20 0 IBADHN COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C(=O)N(C)CCN(C)C ZINC000445936817 1072711985 /nfs/dbraw/zinc/71/19/85/1072711985.db2.gz FGEAHMOEUBSVFY-UHFFFAOYSA-N 0 3 428.511 -0.325 20 0 IBADHN CCN1CCN(c2cccc(NC(=O)C(=O)N(CCO)[C@@H]3CCS(=O)(=O)C3)c2)CC1 ZINC000446518548 1072733046 /nfs/dbraw/zinc/73/30/46/1072733046.db2.gz BIDILEDMELEVQL-GOSISDBHSA-N 0 3 438.550 -0.225 20 0 IBADHN CCN1CCN(c2cccc(NC(=O)C(=O)N(CCO)[C@H]3CCS(=O)(=O)C3)c2)CC1 ZINC000446518550 1072733271 /nfs/dbraw/zinc/73/32/71/1072733271.db2.gz BIDILEDMELEVQL-SFHVURJKSA-N 0 3 438.550 -0.225 20 0 IBADHN CNC(=O)Cn1cc(NC(=O)C(=O)N2CCN(CCN(C)Cc3ccccc3)CC2)cn1 ZINC000446713315 1072742595 /nfs/dbraw/zinc/74/25/95/1072742595.db2.gz WLXURUWCLNTOKX-UHFFFAOYSA-N 0 3 441.536 -0.156 20 0 IBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)Nc2cnn(CCN3CCOCC3)c2)CC1 ZINC000446717821 1072743750 /nfs/dbraw/zinc/74/37/50/1072743750.db2.gz VLUKWZUKVZEMBY-UHFFFAOYSA-N 0 3 449.556 -0.834 20 0 IBADHN CN(C)C1(CNC(=O)C(=O)Nc2ccn(CCN3CCOCC3)n2)Cc2ccccc2C1 ZINC000446732073 1073306702 /nfs/dbraw/zinc/30/67/02/1073306702.db2.gz OBIIQAGDNDLKDR-UHFFFAOYSA-N 0 3 440.548 0.369 20 0 IBADHN CNC(=O)Cn1cnc(NC(=O)C(=O)N[C@@H](CN2CCc3ccccc3C2)C(C)(C)C)n1 ZINC000446906461 1072754475 /nfs/dbraw/zinc/75/44/75/1072754475.db2.gz ZNWMIZNNRIXZAT-KRWDZBQOSA-N 0 3 441.536 0.552 20 0 IBADHN CNC(=O)Cn1cnc(NC(=O)C(=O)N[C@H](CN2CCc3ccccc3C2)C(C)(C)C)n1 ZINC000446906462 1072754506 /nfs/dbraw/zinc/75/45/06/1072754506.db2.gz ZNWMIZNNRIXZAT-QGZVFWFLSA-N 0 3 441.536 0.552 20 0 IBADHN CN(C)CCN(Cc1ccco1)C(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000447011864 1072759085 /nfs/dbraw/zinc/75/90/85/1072759085.db2.gz XOCKZOFIQUHQOJ-UHFFFAOYSA-N 0 3 428.449 -0.246 20 0 IBADHN CS(=O)(=O)NC[C@H]1CCCCN1C[C@H](O)CN1CCCC[C@H]1CNS(C)(=O)=O ZINC000447137770 1072763963 /nfs/dbraw/zinc/76/39/63/1072763963.db2.gz IVQPOBYSCXFMLV-FVQHAEBGSA-N 0 3 440.632 -0.845 20 0 IBADHN CC(C)NS(=O)(=O)[C@@H]1CCN(C[C@@H](O)CN2CC[C@H](S(=O)(=O)NC(C)C)C2)C1 ZINC000447305410 1072772496 /nfs/dbraw/zinc/77/24/96/1072772496.db2.gz LLKIXXSYXRIQSH-OSYLJGHBSA-N 0 3 440.632 -0.849 20 0 IBADHN CCOC(=O)c1nnc(C2CCN(C(=O)C(=O)Nc3ccn(CC[NH+](C)C)n3)CC2)[n-]1 ZINC000447362352 1072774284 /nfs/dbraw/zinc/77/42/84/1072774284.db2.gz DJHIZGTXHQNVDS-UHFFFAOYSA-N 0 3 432.485 0.084 20 0 IBADHN CCOC(=O)c1nc(C2CCN(C(=O)C(=O)Nc3ccn(CC[NH+](C)C)n3)CC2)n[n-]1 ZINC000447362352 1072774277 /nfs/dbraw/zinc/77/42/77/1072774277.db2.gz DJHIZGTXHQNVDS-UHFFFAOYSA-N 0 3 432.485 0.084 20 0 IBADHN C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)NCCCCN2CCN(CCO)CC2)CC1 ZINC000447407536 1072776623 /nfs/dbraw/zinc/77/66/23/1072776623.db2.gz JSIBORWHFPCOAN-FQEVSTJZSA-N 0 3 438.617 -0.285 20 0 IBADHN C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)NCCCCN2CCN(CCO)CC2)CC1 ZINC000447407537 1072776500 /nfs/dbraw/zinc/77/65/00/1072776500.db2.gz JSIBORWHFPCOAN-HXUWFJFHSA-N 0 3 438.617 -0.285 20 0 IBADHN COCCNS(=O)(=O)c1cc(NC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)ccc1OC ZINC000447611271 1072783080 /nfs/dbraw/zinc/78/30/80/1072783080.db2.gz KOSUECSKVMPKLM-AWEZNQCLSA-N 0 3 442.538 -0.032 20 0 IBADHN COCCNS(=O)(=O)c1cc(NC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)ccc1OC ZINC000447611272 1072782842 /nfs/dbraw/zinc/78/28/42/1072782842.db2.gz KOSUECSKVMPKLM-CQSZACIVSA-N 0 3 442.538 -0.032 20 0 IBADHN CC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)CN[C@H](CO)[C@@H]3CCCO3)CC2)c1 ZINC000447901381 1072797858 /nfs/dbraw/zinc/79/78/58/1072797858.db2.gz BVNLTIYSKKEESE-MOPGFXCFSA-N 0 3 439.534 -0.148 20 0 IBADHN CC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)CN[C@@H](CO)[C@@H]3CCCO3)CC2)c1 ZINC000447901383 1072797832 /nfs/dbraw/zinc/79/78/32/1072797832.db2.gz BVNLTIYSKKEESE-OALUTQOASA-N 0 3 439.534 -0.148 20 0 IBADHN CC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)CN[C@@H](CO)[C@H]3CCCO3)CC2)c1 ZINC000447901385 1072797885 /nfs/dbraw/zinc/79/78/85/1072797885.db2.gz BVNLTIYSKKEESE-RBUKOAKNSA-N 0 3 439.534 -0.148 20 0 IBADHN CC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)CN[C@H](CO)[C@H]3CCCO3)CC2)c1 ZINC000447901435 1072797758 /nfs/dbraw/zinc/79/77/58/1072797758.db2.gz BVNLTIYSKKEESE-RTBURBONSA-N 0 3 439.534 -0.148 20 0 IBADHN COc1ccc(S(=O)(=O)N2CCN(C(=O)CN[C@H](CO)[C@@H]3CCCO3)CC2)cc1 ZINC000447909185 1072796189 /nfs/dbraw/zinc/79/61/89/1072796189.db2.gz CTOAJRQNNPVFDJ-MSOLQXFVSA-N 0 3 427.523 -0.342 20 0 IBADHN COc1ccc(S(=O)(=O)N2CCN(C(=O)CN[C@H](CO)[C@H]3CCCO3)CC2)cc1 ZINC000447909186 1072795974 /nfs/dbraw/zinc/79/59/74/1072795974.db2.gz CTOAJRQNNPVFDJ-QZTJIDSGSA-N 0 3 427.523 -0.342 20 0 IBADHN COc1ccc(S(=O)(=O)N2CCN(C(=O)CN[C@@H](CO)[C@@H]3CCCO3)CC2)cc1 ZINC000447909187 1072796693 /nfs/dbraw/zinc/79/66/93/1072796693.db2.gz CTOAJRQNNPVFDJ-ROUUACIJSA-N 0 3 427.523 -0.342 20 0 IBADHN COc1ccc(S(=O)(=O)N2CCN(C(=O)CN[C@@H](CO)[C@H]3CCCO3)CC2)cc1 ZINC000447909188 1072796769 /nfs/dbraw/zinc/79/67/69/1072796769.db2.gz CTOAJRQNNPVFDJ-ZWKOTPCHSA-N 0 3 427.523 -0.342 20 0 IBADHN CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)CN[C@H](CO)[C@@H]3CCCO3)CC2)cc1 ZINC000447909261 1072796240 /nfs/dbraw/zinc/79/62/40/1072796240.db2.gz BISSEJUBBMPYHO-MOPGFXCFSA-N 0 3 439.534 -0.148 20 0 IBADHN CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)CN[C@@H](CO)[C@@H]3CCCO3)CC2)cc1 ZINC000447909263 1072795947 /nfs/dbraw/zinc/79/59/47/1072795947.db2.gz BISSEJUBBMPYHO-OALUTQOASA-N 0 3 439.534 -0.148 20 0 IBADHN CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)CN[C@@H](CO)[C@H]3CCCO3)CC2)cc1 ZINC000447909264 1072796217 /nfs/dbraw/zinc/79/62/17/1072796217.db2.gz BISSEJUBBMPYHO-RBUKOAKNSA-N 0 3 439.534 -0.148 20 0 IBADHN CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)CN[C@H](CO)[C@H]3CCCO3)CC2)cc1 ZINC000447909266 1072796100 /nfs/dbraw/zinc/79/61/00/1072796100.db2.gz BISSEJUBBMPYHO-RTBURBONSA-N 0 3 439.534 -0.148 20 0 IBADHN O=C(CN[C@H](CO)[C@@H]1CCCO1)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 ZINC000447915110 1072796627 /nfs/dbraw/zinc/79/66/27/1072796627.db2.gz QQTOWTAJMZVETQ-CVEARBPZSA-N 0 3 433.477 -0.073 20 0 IBADHN O=C(CN[C@@H](CO)[C@@H]1CCCO1)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 ZINC000447915111 1072796799 /nfs/dbraw/zinc/79/67/99/1072796799.db2.gz QQTOWTAJMZVETQ-HOTGVXAUSA-N 0 3 433.477 -0.073 20 0 IBADHN O=C(CN[C@H](CO)[C@H]1CCCO1)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 ZINC000447915112 1072796817 /nfs/dbraw/zinc/79/68/17/1072796817.db2.gz QQTOWTAJMZVETQ-HZPDHXFCSA-N 0 3 433.477 -0.073 20 0 IBADHN O=C(CN[C@@H](CO)[C@H]1CCCO1)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 ZINC000447915113 1072797265 /nfs/dbraw/zinc/79/72/65/1072797265.db2.gz QQTOWTAJMZVETQ-JKSUJKDBSA-N 0 3 433.477 -0.073 20 0 IBADHN CN1CCN(S(=O)(=O)N2CCN(C(=O)NC[C@@H]3N(C)CCCC3(C)C)CC2)CC1 ZINC000448029597 1072800869 /nfs/dbraw/zinc/80/08/69/1072800869.db2.gz IEYBOJSUAJEZFL-KRWDZBQOSA-N 0 3 430.619 -0.074 20 0 IBADHN CN1CCN(S(=O)(=O)N2CCN(C(=O)NC[C@H]3N(C)CCCC3(C)C)CC2)CC1 ZINC000448029599 1072801106 /nfs/dbraw/zinc/80/11/06/1072801106.db2.gz IEYBOJSUAJEZFL-QGZVFWFLSA-N 0 3 430.619 -0.074 20 0 IBADHN CCC(=O)N1CC[C@@H](Nc2nc(NCCOC)nc(N[C@H]3CCN(C(=O)CC)C3)n2)C1 ZINC000448128188 1072802982 /nfs/dbraw/zinc/80/29/82/1072802982.db2.gz GWTWCFVWNCVQRY-GASCZTMLSA-N 0 3 434.545 -0.959 20 0 IBADHN COCCNc1nc(N[C@@H]2CCN(C(C)C)C2=O)nc(N[C@H]2CCN(C(C)C)C2=O)n1 ZINC000448129027 1072802926 /nfs/dbraw/zinc/80/29/26/1072802926.db2.gz QBQNWIBKJFZGNO-GASCZTMLSA-N 0 3 434.545 -0.962 20 0 IBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NCCNS(=O)(=O)c1cccnc1 ZINC000448226504 1072806289 /nfs/dbraw/zinc/80/62/89/1072806289.db2.gz YWRNEVVPKYNCCR-INIZCTEOSA-N 0 3 426.543 -0.398 20 0 IBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NCCNS(=O)(=O)c1cccnc1 ZINC000448226505 1071263383 /nfs/dbraw/zinc/26/33/83/1071263383.db2.gz YWRNEVVPKYNCCR-MRXNPFEDSA-N 0 3 426.543 -0.398 20 0 IBADHN Cn1c2[nH]c(CCC(=O)NC[C@@H](O)CN3CCc4ccccc4C3)nc2c(=O)[nH]c1=O ZINC000448260678 1072807391 /nfs/dbraw/zinc/80/73/91/1072807391.db2.gz BFDASTNUPWISPX-OAHLLOKOSA-N 0 3 426.477 -0.170 20 0 IBADHN O=C(NC[C@@H](O)CN1CCc2ccccc2C1)[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000448266193 1072808171 /nfs/dbraw/zinc/80/81/71/1072808171.db2.gz CTMHJBUTNSVHEM-LEWJYISDSA-N 0 3 430.549 -0.298 20 0 IBADHN O=C(NC[C@@H](O)CN1CCc2ccccc2C1)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC000448266194 1072807986 /nfs/dbraw/zinc/80/79/86/1072807986.db2.gz CTMHJBUTNSVHEM-NHCUHLMSSA-N 0 3 430.549 -0.298 20 0 IBADHN Cc1nc(S(=O)(=O)NCCC(=O)NC[C@@H](O)CN2CCc3ccccc3C2)cn1C ZINC000448267219 1071282410 /nfs/dbraw/zinc/28/24/10/1071282410.db2.gz HTDIPCKUYXCLSK-GOSISDBHSA-N 0 3 435.550 -0.068 20 0 IBADHN Cn1c2c(ccn2CC(=O)NC[C@H](O)CN2CCc3ccccc3C2)c(=O)n(C)c1=O ZINC000448267560 1072808317 /nfs/dbraw/zinc/80/83/17/1072808317.db2.gz MVYBSRCQNHVRNK-KRWDZBQOSA-N 0 3 425.489 -0.426 20 0 IBADHN Cn1c2c(ccn2CC(=O)NC[C@@H](O)CN2CCc3ccccc3C2)c(=O)n(C)c1=O ZINC000448267561 1072808114 /nfs/dbraw/zinc/80/81/14/1072808114.db2.gz MVYBSRCQNHVRNK-QGZVFWFLSA-N 0 3 425.489 -0.426 20 0 IBADHN Cn1c2ncn(CCC(=O)NC[C@@H](O)CN3CCc4ccccc4C3)c2c(=O)n(C)c1=O ZINC000448272906 1072807445 /nfs/dbraw/zinc/80/74/45/1072807445.db2.gz WVNZZUVISWIVNZ-QGZVFWFLSA-N 0 3 440.504 -0.641 20 0 IBADHN CC(C)NC(=O)CNS(=O)(=O)CCC(=O)NC[C@@H](O)CN1CCc2ccccc2C1 ZINC000448285129 1072808281 /nfs/dbraw/zinc/80/82/81/1072808281.db2.gz GOUGMQFQUPZILS-GOSISDBHSA-N 0 3 440.566 -0.644 20 0 IBADHN CC(C)NC(=O)CNS(=O)(=O)CCC(=O)NC[C@H](O)CN1CCc2ccccc2C1 ZINC000448285130 1072808910 /nfs/dbraw/zinc/80/89/10/1072808910.db2.gz GOUGMQFQUPZILS-SFHVURJKSA-N 0 3 440.566 -0.644 20 0 IBADHN CNC(=O)Cn1cc(NC(=O)C(=O)NCCCN2CCN(Cc3ccccc3)CC2)cn1 ZINC000448489044 1072818225 /nfs/dbraw/zinc/81/82/25/1072818225.db2.gz VOOGUBZFIXSOMM-UHFFFAOYSA-N 0 3 441.536 -0.108 20 0 IBADHN CN(C)C[C@H](Cc1ccccc1)NC(=O)C(=O)Nc1ccn(CCN2CCOCC2)n1 ZINC000448507186 1073308852 /nfs/dbraw/zinc/30/88/52/1073308852.db2.gz FALJCZRZEHOVRD-IBGZPJMESA-N 0 3 428.537 0.443 20 0 IBADHN CN(C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)Nc1ccn(CCN2CCOCC2)n1 ZINC000448507187 1073308690 /nfs/dbraw/zinc/30/86/90/1073308690.db2.gz FALJCZRZEHOVRD-LJQANCHMSA-N 0 3 428.537 0.443 20 0 IBADHN CNC(=O)Cn1cc(NC(=O)C(=O)NCc2ccc(CN3CCN(C)CC3)cc2)cn1 ZINC000448507710 1072821801 /nfs/dbraw/zinc/82/18/01/1072821801.db2.gz KSZBHZVAOYOCAU-UHFFFAOYSA-N 0 3 427.509 -0.369 20 0 IBADHN CCN(CC)CC(=O)N1CCN(C(=O)NCCNS(=O)(=O)c2cccnc2)CC1 ZINC000448523331 1073200442 /nfs/dbraw/zinc/20/04/42/1073200442.db2.gz YDADBKVVBCRBIU-UHFFFAOYSA-N 0 3 426.543 -0.445 20 0 IBADHN CN(C)[C@H](CNC(=O)C(=O)Nc1ccn(CCN2CCOCC2)n1)Cc1ccccc1 ZINC000448529127 1072823043 /nfs/dbraw/zinc/82/30/43/1072823043.db2.gz PVTNIAXLAWKNAW-IBGZPJMESA-N 0 3 428.537 0.443 20 0 IBADHN CN(C)[C@@H](CNC(=O)C(=O)Nc1ccn(CCN2CCOCC2)n1)Cc1ccccc1 ZINC000448529128 1072822468 /nfs/dbraw/zinc/82/24/68/1072822468.db2.gz PVTNIAXLAWKNAW-LJQANCHMSA-N 0 3 428.537 0.443 20 0 IBADHN CN1CC[C@](O)(CNC(=O)NCc2ccccc2CS(=O)(=O)N2CCOCC2)C1 ZINC000460233381 1072985772 /nfs/dbraw/zinc/98/57/72/1072985772.db2.gz CMGFSZLVRBMICK-IBGZPJMESA-N 0 3 426.539 -0.286 20 0 IBADHN CN1CC[C@@](O)(CNC(=O)NCc2ccccc2CS(=O)(=O)N2CCOCC2)C1 ZINC000460233411 1072985918 /nfs/dbraw/zinc/98/59/18/1072985918.db2.gz CMGFSZLVRBMICK-LJQANCHMSA-N 0 3 426.539 -0.286 20 0 IBADHN CN1CC[C@](O)(CNC(=O)NCc2ccccc2S(=O)(=O)N2CCN(C)CC2)C1 ZINC000460269191 1072987492 /nfs/dbraw/zinc/98/74/92/1072987492.db2.gz ZXCVZBXHKJOSRX-IBGZPJMESA-N 0 3 425.555 -0.512 20 0 IBADHN CN1CC[C@@](O)(CNC(=O)NCc2ccccc2S(=O)(=O)N2CCN(C)CC2)C1 ZINC000460269192 1072987465 /nfs/dbraw/zinc/98/74/65/1072987465.db2.gz ZXCVZBXHKJOSRX-LJQANCHMSA-N 0 3 425.555 -0.512 20 0 IBADHN CN(C)S(=O)(=O)N1CCCC[C@@H]1CNC(=O)NCCCCN1CCN(CCO)CC1 ZINC000460338168 1073001466 /nfs/dbraw/zinc/00/14/66/1073001466.db2.gz GGUFGBXWGQQKMK-GOSISDBHSA-N 0 3 448.634 -0.663 20 0 IBADHN CN(C)S(=O)(=O)N1CCCC[C@H]1CNC(=O)NCCCCN1CCN(CCO)CC1 ZINC000460338169 1073001282 /nfs/dbraw/zinc/00/12/82/1073001282.db2.gz GGUFGBXWGQQKMK-SFHVURJKSA-N 0 3 448.634 -0.663 20 0 IBADHN CCN(CC)CC(=O)N1CCN(C(=O)[C@H](C)NS(=O)(=O)c2c(C)nn(C)c2C)CC1 ZINC000460874369 1071352177 /nfs/dbraw/zinc/35/21/77/1071352177.db2.gz HUIHUARKWRITAT-HNNXBMFYSA-N 0 3 442.586 -0.284 20 0 IBADHN CCN(CC)CC(=O)N1CCN(C(=O)[C@@H](C)NS(=O)(=O)c2c(C)nn(C)c2C)CC1 ZINC000460874401 1073131816 /nfs/dbraw/zinc/13/18/16/1073131816.db2.gz HUIHUARKWRITAT-OAHLLOKOSA-N 0 3 442.586 -0.284 20 0 IBADHN Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000460875039 1073131808 /nfs/dbraw/zinc/13/18/08/1073131808.db2.gz YSVRVANKWAQXHY-GDBMZVCRSA-N 0 3 442.586 -0.237 20 0 IBADHN Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000460875040 1073131773 /nfs/dbraw/zinc/13/17/73/1073131773.db2.gz YSVRVANKWAQXHY-GOEBONIOSA-N 0 3 442.586 -0.237 20 0 IBADHN Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000460875041 1073131840 /nfs/dbraw/zinc/13/18/40/1073131840.db2.gz YSVRVANKWAQXHY-HOCLYGCPSA-N 0 3 442.586 -0.237 20 0 IBADHN Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000460875043 1071352935 /nfs/dbraw/zinc/35/29/35/1071352935.db2.gz YSVRVANKWAQXHY-ZBFHGGJFSA-N 0 3 442.586 -0.237 20 0 IBADHN Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000460877906 1073131852 /nfs/dbraw/zinc/13/18/52/1073131852.db2.gz DKSJQUGPRMSIMG-HNNXBMFYSA-N 0 3 440.570 -0.530 20 0 IBADHN Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000460877907 1073132295 /nfs/dbraw/zinc/13/22/95/1073132295.db2.gz DKSJQUGPRMSIMG-OAHLLOKOSA-N 0 3 440.570 -0.530 20 0 IBADHN CNc1nc(N2CCC[C@@H](S(C)(=O)=O)C2)nc(N2CCC[C@H](S(C)(=O)=O)C2)n1 ZINC000460930952 1073134599 /nfs/dbraw/zinc/13/45/99/1073134599.db2.gz JKCXZOIDULEKJO-BETUJISGSA-N 0 3 432.572 -0.638 20 0 IBADHN CNc1nc(N2CCC[C@@H](S(C)(=O)=O)C2)nc(N2CCC[C@@H](S(C)(=O)=O)C2)n1 ZINC000460930953 1073134571 /nfs/dbraw/zinc/13/45/71/1073134571.db2.gz JKCXZOIDULEKJO-CHWSQXEVSA-N 0 3 432.572 -0.638 20 0 IBADHN CNc1nc(N2CCC[C@H](S(C)(=O)=O)C2)nc(N2CCC[C@H](S(C)(=O)=O)C2)n1 ZINC000460930954 1073134611 /nfs/dbraw/zinc/13/46/11/1073134611.db2.gz JKCXZOIDULEKJO-STQMWFEESA-N 0 3 432.572 -0.638 20 0 IBADHN CCN(CC)CC(=O)N1CCN(C(=O)NC[C@@H]2CCCCN2S(=O)(=O)N(C)C)CC1 ZINC000461530508 1073158978 /nfs/dbraw/zinc/15/89/78/1073158978.db2.gz DGCOPPGGMFPGHA-KRWDZBQOSA-N 0 3 446.618 -0.157 20 0 IBADHN CCN(CC)CC(=O)N1CCN(C(=O)NC[C@H]2CCCCN2S(=O)(=O)N(C)C)CC1 ZINC000461530524 1073159039 /nfs/dbraw/zinc/15/90/39/1073159039.db2.gz DGCOPPGGMFPGHA-QGZVFWFLSA-N 0 3 446.618 -0.157 20 0 IBADHN CN(C)S(=O)(=O)N1CCCC[C@H]1CNC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000461538284 1073159960 /nfs/dbraw/zinc/15/99/60/1073159960.db2.gz DALYUSODONPVIW-DLBZAZTESA-N 0 3 444.602 -0.405 20 0 IBADHN CN(C)S(=O)(=O)N1CCCC[C@@H]1CNC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000461538285 1073159988 /nfs/dbraw/zinc/15/99/88/1073159988.db2.gz DALYUSODONPVIW-IAGOWNOFSA-N 0 3 444.602 -0.405 20 0 IBADHN CN(C)S(=O)(=O)N1CCCC[C@H]1CNC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000461538286 1073159910 /nfs/dbraw/zinc/15/99/10/1073159910.db2.gz DALYUSODONPVIW-IRXDYDNUSA-N 0 3 444.602 -0.405 20 0 IBADHN CN(C)S(=O)(=O)N1CCCC[C@@H]1CNC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000461538287 1073160007 /nfs/dbraw/zinc/16/00/07/1073160007.db2.gz DALYUSODONPVIW-SJORKVTESA-N 0 3 444.602 -0.405 20 0 IBADHN COc1ccc(CNC(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)cc1S(N)(=O)=O ZINC000461664161 1073164838 /nfs/dbraw/zinc/16/48/38/1073164838.db2.gz LXLFMFYIJDVAOJ-HNNXBMFYSA-N 0 3 439.538 -0.209 20 0 IBADHN COc1ccc(CNC(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)cc1S(N)(=O)=O ZINC000461664162 1073164942 /nfs/dbraw/zinc/16/49/42/1073164942.db2.gz LXLFMFYIJDVAOJ-OAHLLOKOSA-N 0 3 439.538 -0.209 20 0 IBADHN COc1ccc(CNC(=O)N2CCN(C(=O)CN3CCCC3)CC2)cc1S(N)(=O)=O ZINC000461664474 1073165041 /nfs/dbraw/zinc/16/50/41/1073165041.db2.gz KWCOKOOBIGTTIZ-UHFFFAOYSA-N 0 3 439.538 -0.208 20 0 IBADHN NC(=O)c1cc(S(=O)(=O)NCC(=O)NCC2(N3CCSCC3)CCCC2)c[nH]1 ZINC000461886735 1073172954 /nfs/dbraw/zinc/17/29/54/1073172954.db2.gz HZNDIWIATPYKTD-UHFFFAOYSA-N 0 3 429.568 -0.130 20 0 IBADHN CN(C(=O)CNS(=O)(=O)c1c[nH]c(C(N)=O)c1)C1CCN(CCc2ccccn2)CC1 ZINC000461994079 1073177606 /nfs/dbraw/zinc/17/76/06/1073177606.db2.gz XYSOPKHJXMTJPM-UHFFFAOYSA-N 0 3 448.549 -0.048 20 0 IBADHN C[C@H]1CN(CC2CCN(C(=O)CNS(=O)(=O)c3c[nH]c(C(N)=O)c3)CC2)C[C@H](C)O1 ZINC000462010599 1073178635 /nfs/dbraw/zinc/17/86/35/1073178635.db2.gz OIPXZCSFFBUVCY-KBPBESRZSA-N 0 3 441.554 -0.260 20 0 IBADHN C[C@@H]1CN(CC2CCN(C(=O)CNS(=O)(=O)c3c[nH]c(C(N)=O)c3)CC2)C[C@H](C)O1 ZINC000462010600 1073178665 /nfs/dbraw/zinc/17/86/65/1073178665.db2.gz OIPXZCSFFBUVCY-OKILXGFUSA-N 0 3 441.554 -0.260 20 0 IBADHN C[C@@H]1CN(CC2CCN(C(=O)CNS(=O)(=O)c3c[nH]c(C(N)=O)c3)CC2)C[C@@H](C)O1 ZINC000462010601 1073178650 /nfs/dbraw/zinc/17/86/50/1073178650.db2.gz OIPXZCSFFBUVCY-ZIAGYGMSSA-N 0 3 441.554 -0.260 20 0 IBADHN C[C@H](CN1CCN(C)CC1)NC(=O)c1ccnc(C(=O)N[C@@H](C)CN2CCN(C)CC2)c1 ZINC000462015831 1073179258 /nfs/dbraw/zinc/17/92/58/1073179258.db2.gz KZTJHJNBVOVFBP-MOPGFXCFSA-N 0 3 445.612 -0.187 20 0 IBADHN C[C@@H](CN1CCN(C)CC1)NC(=O)c1ccnc(C(=O)N[C@@H](C)CN2CCN(C)CC2)c1 ZINC000462015832 1073179186 /nfs/dbraw/zinc/17/91/86/1073179186.db2.gz KZTJHJNBVOVFBP-OALUTQOASA-N 0 3 445.612 -0.187 20 0 IBADHN C[C@H](CN1CCN(C)CC1)NC(=O)c1cc(C(=O)N[C@@H](C)CN2CCN(C)CC2)ccn1 ZINC000462015833 1073179273 /nfs/dbraw/zinc/17/92/73/1073179273.db2.gz KZTJHJNBVOVFBP-RBUKOAKNSA-N 0 3 445.612 -0.187 20 0 IBADHN C[C@H](CN1CCN(C)CC1)NC(=O)c1ccnc(C(=O)N[C@H](C)CN2CCN(C)CC2)c1 ZINC000462015834 1073179268 /nfs/dbraw/zinc/17/92/68/1073179268.db2.gz KZTJHJNBVOVFBP-RTBURBONSA-N 0 3 445.612 -0.187 20 0 IBADHN C[C@H](CNC(=O)c1ccnc(C(=O)NC[C@H](C)N2CCN(C)CC2)c1)N1CCN(C)CC1 ZINC000462093422 1073187190 /nfs/dbraw/zinc/18/71/90/1073187190.db2.gz MSJCXGWXIFRGIG-MOPGFXCFSA-N 0 3 445.612 -0.187 20 0 IBADHN C[C@@H](CNC(=O)c1ccnc(C(=O)NC[C@H](C)N2CCN(C)CC2)c1)N1CCN(C)CC1 ZINC000462093423 1073187028 /nfs/dbraw/zinc/18/70/28/1073187028.db2.gz MSJCXGWXIFRGIG-OALUTQOASA-N 0 3 445.612 -0.187 20 0 IBADHN C[C@H](CNC(=O)c1cc(C(=O)NC[C@H](C)N2CCN(C)CC2)ccn1)N1CCN(C)CC1 ZINC000462093424 1073187105 /nfs/dbraw/zinc/18/71/05/1073187105.db2.gz MSJCXGWXIFRGIG-RBUKOAKNSA-N 0 3 445.612 -0.187 20 0 IBADHN C[C@H](CNC(=O)c1ccnc(C(=O)NC[C@@H](C)N2CCN(C)CC2)c1)N1CCN(C)CC1 ZINC000462093425 1073187072 /nfs/dbraw/zinc/18/70/72/1073187072.db2.gz MSJCXGWXIFRGIG-RTBURBONSA-N 0 3 445.612 -0.187 20 0 IBADHN NS(=O)(=O)c1cccc(N2C(=O)C[C@H](N3CCN(C(=O)CN4CCCC4)CC3)C2=O)c1 ZINC000462289675 1072448627 /nfs/dbraw/zinc/44/86/27/1072448627.db2.gz ZFTYYPIQJNTDRH-KRWDZBQOSA-N 0 3 449.533 -0.794 20 0 IBADHN NS(=O)(=O)c1cccc(N2C(=O)C[C@@H](N3CCN(C(=O)CN4CCCC4)CC3)C2=O)c1 ZINC000462289676 1072448742 /nfs/dbraw/zinc/44/87/42/1072448742.db2.gz ZFTYYPIQJNTDRH-QGZVFWFLSA-N 0 3 449.533 -0.794 20 0 IBADHN NS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(CCN3CCCOCC3)CC2)cc1 ZINC000463088214 1072485270 /nfs/dbraw/zinc/48/52/70/1072485270.db2.gz SKABANVYICSLSU-UHFFFAOYSA-N 0 3 432.568 -0.637 20 0 IBADHN CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000463372003 1072505557 /nfs/dbraw/zinc/50/55/57/1072505557.db2.gz XEQPUXKHVJAGRV-CVEARBPZSA-N 0 3 445.586 -0.736 20 0 IBADHN CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000463372004 1072505469 /nfs/dbraw/zinc/50/54/69/1072505469.db2.gz XEQPUXKHVJAGRV-HOTGVXAUSA-N 0 3 445.586 -0.736 20 0 IBADHN CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000463372005 1072505525 /nfs/dbraw/zinc/50/55/25/1072505525.db2.gz XEQPUXKHVJAGRV-HZPDHXFCSA-N 0 3 445.586 -0.736 20 0 IBADHN CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000463372006 1072505623 /nfs/dbraw/zinc/50/56/23/1072505623.db2.gz XEQPUXKHVJAGRV-JKSUJKDBSA-N 0 3 445.586 -0.736 20 0 IBADHN O=C(CN1CC[C@@H](n2cccn2)C1)N1CCN(C(=O)CN2CC[C@H](n3cccn3)C2)CC1 ZINC000463456261 1072510760 /nfs/dbraw/zinc/51/07/60/1072510760.db2.gz ZKQLVWYJLMXQAY-BGYRXZFFSA-N 0 3 440.552 -0.056 20 0 IBADHN O=C(CN1CC[C@H](n2cccn2)C1)N1CCN(C(=O)CN2CC[C@H](n3cccn3)C2)CC1 ZINC000463456349 1072510591 /nfs/dbraw/zinc/51/05/91/1072510591.db2.gz ZKQLVWYJLMXQAY-PMACEKPBSA-N 0 3 440.552 -0.056 20 0 IBADHN O=C(CN1CC[C@@H](n2cccn2)C1)N1CCN(C(=O)CN2CC[C@@H](n3cccn3)C2)CC1 ZINC000463456351 1072510425 /nfs/dbraw/zinc/51/04/25/1072510425.db2.gz ZKQLVWYJLMXQAY-WOJBJXKFSA-N 0 3 440.552 -0.056 20 0 IBADHN COC(=O)c1cn(-c2cccc(NC(=O)C(=O)NCCCN3CCN(C)CC3)c2)nn1 ZINC000463634320 1072516352 /nfs/dbraw/zinc/51/63/52/1072516352.db2.gz AYSYKWRRFLMLHK-UHFFFAOYSA-N 0 3 429.481 -0.254 20 0 IBADHN COC(=O)c1cn(-c2cccc(NC(=O)C(=O)NC[C@H](C)CN3CCN(C)CC3)c2)nn1 ZINC000463722448 1072519879 /nfs/dbraw/zinc/51/98/79/1072519879.db2.gz OZLHDDLUXAMHRZ-HNNXBMFYSA-N 0 3 443.508 -0.008 20 0 IBADHN COC(=O)c1cn(-c2cccc(NC(=O)C(=O)NC[C@@H](C)CN3CCN(C)CC3)c2)nn1 ZINC000463722449 1072519932 /nfs/dbraw/zinc/51/99/32/1072519932.db2.gz OZLHDDLUXAMHRZ-OAHLLOKOSA-N 0 3 443.508 -0.008 20 0 IBADHN C[C@@H](CNC(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1)CN1CCN(C)CC1 ZINC000463722739 1072519854 /nfs/dbraw/zinc/51/98/54/1072519854.db2.gz QHZIQVFSFWQCEY-KRWDZBQOSA-N 0 3 430.553 -0.443 20 0 IBADHN C[C@H](CNC(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1)CN1CCN(C)CC1 ZINC000463722740 1072519680 /nfs/dbraw/zinc/51/96/80/1072519680.db2.gz QHZIQVFSFWQCEY-QGZVFWFLSA-N 0 3 430.553 -0.443 20 0 IBADHN CN1CCN(CCNC(=O)C(=O)Nc2cccc(CN3CCNC(=O)C3)c2)CC1(C)C ZINC000463777758 1072521035 /nfs/dbraw/zinc/52/10/35/1072521035.db2.gz ZMTGQIDHDWKSLF-UHFFFAOYSA-N 0 3 430.553 -0.301 20 0 IBADHN CN(CCCN1CCN(C)CC1)C(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1 ZINC000463784246 1072522356 /nfs/dbraw/zinc/52/23/56/1072522356.db2.gz FEVPOVGDUFNJIU-UHFFFAOYSA-N 0 3 430.553 -0.347 20 0 IBADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1 ZINC000463798657 1072523660 /nfs/dbraw/zinc/52/36/60/1072523660.db2.gz MUCPQBPFEOAPLT-KRWDZBQOSA-N 0 3 430.553 -0.301 20 0 IBADHN C[C@H](CCN1CCN(C)CC1)NC(=O)C(=O)Nc1cccc(CN2CCNC(=O)C2)c1 ZINC000463798659 1072523610 /nfs/dbraw/zinc/52/36/10/1072523610.db2.gz MUCPQBPFEOAPLT-QGZVFWFLSA-N 0 3 430.553 -0.301 20 0 IBADHN CN(C)Cc1ccc(N2CCN(C(=O)Cn3ccc4c3n(C)c(=O)n(C)c4=O)CC2)nc1 ZINC000465118698 1072570530 /nfs/dbraw/zinc/57/05/30/1072570530.db2.gz FUAINCNFGZPSBA-UHFFFAOYSA-N 0 3 439.520 -0.156 20 0 IBADHN CN(C(=O)Cn1ccc2c1n(C)c(=O)n(C)c2=O)C1CCN(CCn2cccn2)CC1 ZINC000465131414 1072570182 /nfs/dbraw/zinc/57/01/82/1072570182.db2.gz IKUGDNYIDGIIPF-UHFFFAOYSA-N 0 3 427.509 -0.142 20 0 IBADHN CN(C)C(=O)Cn1cc(NC(=O)C(=O)N[C@H]2CCN(Cc3ccccc3)C[C@H]2CO)cn1 ZINC000465319343 1072576184 /nfs/dbraw/zinc/57/61/84/1072576184.db2.gz RWDUQYTUQJOJMF-HKUYNNGSSA-N 0 3 442.520 -0.091 20 0 IBADHN CN(C)C(=O)Cn1cc(NC(=O)C(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@@H]2CO)cn1 ZINC000465319344 1072576354 /nfs/dbraw/zinc/57/63/54/1072576354.db2.gz RWDUQYTUQJOJMF-IEBWSBKVSA-N 0 3 442.520 -0.091 20 0 IBADHN CN(C)C(=O)Cn1cc(NC(=O)C(=O)N[C@H]2CCN(Cc3ccccc3)C[C@@H]2CO)cn1 ZINC000465319345 1072576288 /nfs/dbraw/zinc/57/62/88/1072576288.db2.gz RWDUQYTUQJOJMF-MJGOQNOKSA-N 0 3 442.520 -0.091 20 0 IBADHN CN(C)C(=O)Cn1cc(NC(=O)C(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@H]2CO)cn1 ZINC000465319346 1072576250 /nfs/dbraw/zinc/57/62/50/1072576250.db2.gz RWDUQYTUQJOJMF-PKOBYXMFSA-N 0 3 442.520 -0.091 20 0 IBADHN CN(C)C(=O)Cn1cc(NC(=O)C(=O)NC[C@@H](O)CN2CCc3ccccc3C2)cn1 ZINC000465321989 1072578570 /nfs/dbraw/zinc/57/85/70/1072578570.db2.gz BXPHIRUEGBUXOX-GOSISDBHSA-N 0 3 428.493 -0.555 20 0 IBADHN CN(C)C(=O)Cn1cc(NC(=O)C(=O)NCc2ccc(CN3CCN(C)CC3)cc2)cn1 ZINC000465328394 1072579014 /nfs/dbraw/zinc/57/90/14/1072579014.db2.gz WUVNKFYDBIYIIJ-UHFFFAOYSA-N 0 3 441.536 -0.026 20 0 IBADHN C[C@@H](CNC(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1)CN1CCN(C)CC1 ZINC000465520052 1072728515 /nfs/dbraw/zinc/72/85/15/1072728515.db2.gz SQSZDQVNNBBKKO-KRWDZBQOSA-N 0 3 430.553 -0.059 20 0 IBADHN C[C@H](CNC(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1)CN1CCN(C)CC1 ZINC000465520056 1072728626 /nfs/dbraw/zinc/72/86/26/1072728626.db2.gz SQSZDQVNNBBKKO-QGZVFWFLSA-N 0 3 430.553 -0.059 20 0 IBADHN COCCNC(=O)CN1CCN(C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)CC1 ZINC000465825959 1073148093 /nfs/dbraw/zinc/14/80/93/1073148093.db2.gz KCTWAAMPBBZNBE-KRWDZBQOSA-N 0 3 426.562 -0.981 20 0 IBADHN COCCNC(=O)CN1CCN(C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC000465825960 1073148142 /nfs/dbraw/zinc/14/81/42/1073148142.db2.gz KCTWAAMPBBZNBE-QGZVFWFLSA-N 0 3 426.562 -0.981 20 0 IBADHN C[C@H](CNC(=O)NCCC(=O)N1CCN(c2ncccn2)CC1)CN1CCN(C)CC1 ZINC000465853450 1073149992 /nfs/dbraw/zinc/14/99/92/1073149992.db2.gz ZFHYVYXCKPTTPI-GOSISDBHSA-N 0 3 432.573 -0.302 20 0 IBADHN C[C@@H](CNC(=O)NCCC(=O)N1CCN(c2ncccn2)CC1)CN1CCN(C)CC1 ZINC000465853451 1073149810 /nfs/dbraw/zinc/14/98/10/1073149810.db2.gz ZFHYVYXCKPTTPI-SFHVURJKSA-N 0 3 432.573 -0.302 20 0 IBADHN C[C@@H](CNC(=O)NCc1ccccc1S(=O)(=O)N(C)CCO)CN1CCN(C)CC1 ZINC000465915843 1073160910 /nfs/dbraw/zinc/16/09/10/1073160910.db2.gz IHUPYNKMTPFDJI-KRWDZBQOSA-N 0 3 441.598 -0.018 20 0 IBADHN C[C@H](CNC(=O)NCc1ccccc1S(=O)(=O)N(C)CCO)CN1CCN(C)CC1 ZINC000465915844 1073160827 /nfs/dbraw/zinc/16/08/27/1073160827.db2.gz IHUPYNKMTPFDJI-QGZVFWFLSA-N 0 3 441.598 -0.018 20 0 IBADHN Cc1cc(N2CCC[C@@H](NC(=O)NCCCCN3CCN(CCO)CC3)C2=O)n(C)n1 ZINC000465929022 1073163136 /nfs/dbraw/zinc/16/31/36/1073163136.db2.gz KAIYFBGYCLUIHQ-GOSISDBHSA-N 0 3 435.573 -0.087 20 0 IBADHN Cc1cc(N2CCC[C@H](NC(=O)NCCCCN3CCN(CCO)CC3)C2=O)n(C)n1 ZINC000465929031 1073163162 /nfs/dbraw/zinc/16/31/62/1073163162.db2.gz KAIYFBGYCLUIHQ-SFHVURJKSA-N 0 3 435.573 -0.087 20 0 IBADHN C[C@@H](CNC(=O)NC1CCN(S(=O)(=O)c2cnn(C)c2)CC1)CN1CCN(C)CC1 ZINC000465965099 1073168433 /nfs/dbraw/zinc/16/84/33/1073168433.db2.gz ZDOHRSVVPYJHOR-INIZCTEOSA-N 0 3 441.602 -0.244 20 0 IBADHN C[C@H](CNC(=O)NC1CCN(S(=O)(=O)c2cnn(C)c2)CC1)CN1CCN(C)CC1 ZINC000465965100 1073168398 /nfs/dbraw/zinc/16/83/98/1073168398.db2.gz ZDOHRSVVPYJHOR-MRXNPFEDSA-N 0 3 441.602 -0.244 20 0 IBADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)NC1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000465980052 1073173409 /nfs/dbraw/zinc/17/34/09/1073173409.db2.gz FFVUSNDXPAILAH-GOSISDBHSA-N 0 3 447.602 -0.220 20 0 IBADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)NC1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000465980053 1073173503 /nfs/dbraw/zinc/17/35/03/1073173503.db2.gz FFVUSNDXPAILAH-SFHVURJKSA-N 0 3 447.602 -0.220 20 0 IBADHN CCN1CCN(C[C@H](C)CNC(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)CC1 ZINC000466110477 1073196827 /nfs/dbraw/zinc/19/68/27/1073196827.db2.gz QOCIOAZVTQFLLV-GOSISDBHSA-N 0 3 446.618 -0.836 20 0 IBADHN CCN1CCN(C[C@@H](C)CNC(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)CC1 ZINC000466110478 1073197506 /nfs/dbraw/zinc/19/75/06/1073197506.db2.gz QOCIOAZVTQFLLV-SFHVURJKSA-N 0 3 446.618 -0.836 20 0 IBADHN CCN1CCN(C[C@@H](C)CNC(=O)N2CCN(CC(=O)Nc3cc(C)on3)CC2)CC1 ZINC000466128139 1073199486 /nfs/dbraw/zinc/19/94/86/1073199486.db2.gz DDHCCPDFTPBLHQ-KRWDZBQOSA-N 0 3 435.573 0.522 20 0 IBADHN CCN1CCN(C[C@H](C)CNC(=O)N2CCN(CC(=O)Nc3cc(C)on3)CC2)CC1 ZINC000466128140 1073199519 /nfs/dbraw/zinc/19/95/19/1073199519.db2.gz DDHCCPDFTPBLHQ-QGZVFWFLSA-N 0 3 435.573 0.522 20 0 IBADHN CCN1CCN(C[C@@H](C)CNC(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)CC1 ZINC000466132574 1073199469 /nfs/dbraw/zinc/19/94/69/1073199469.db2.gz CJNNPHQOEHBJEH-KRWDZBQOSA-N 0 3 436.557 -0.737 20 0 IBADHN CCN1CCN(C[C@H](C)CNC(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)CC1 ZINC000466132575 1073199535 /nfs/dbraw/zinc/19/95/35/1073199535.db2.gz CJNNPHQOEHBJEH-QGZVFWFLSA-N 0 3 436.557 -0.737 20 0 IBADHN COCCCNC(=O)[C@H](C)N1CCN(C(=O)NC[C@@H](C)CN2CCN(C)CC2)CC1 ZINC000466134353 1073199354 /nfs/dbraw/zinc/19/93/54/1073199354.db2.gz OVYUAAAIVVJJGY-MOPGFXCFSA-N 0 3 426.606 -0.262 20 0 IBADHN COCCCNC(=O)[C@H](C)N1CCN(C(=O)NC[C@H](C)CN2CCN(C)CC2)CC1 ZINC000466134365 1073199449 /nfs/dbraw/zinc/19/94/49/1073199449.db2.gz OVYUAAAIVVJJGY-OALUTQOASA-N 0 3 426.606 -0.262 20 0 IBADHN COCCCNC(=O)[C@@H](C)N1CCN(C(=O)NC[C@H](C)CN2CCN(C)CC2)CC1 ZINC000466134368 1073199371 /nfs/dbraw/zinc/19/93/71/1073199371.db2.gz OVYUAAAIVVJJGY-RBUKOAKNSA-N 0 3 426.606 -0.262 20 0 IBADHN COCCCNC(=O)[C@@H](C)N1CCN(C(=O)NC[C@@H](C)CN2CCN(C)CC2)CC1 ZINC000466134371 1073199289 /nfs/dbraw/zinc/19/92/89/1073199289.db2.gz OVYUAAAIVVJJGY-RTBURBONSA-N 0 3 426.606 -0.262 20 0 IBADHN CCN1CCN(C[C@@H](C)CNC(=O)N2CCN([C@@H](C)C(=O)N3CCOCC3)CC2)CC1 ZINC000466138879 1073199950 /nfs/dbraw/zinc/19/99/50/1073199950.db2.gz TZEYYYBRPJECNB-PMACEKPBSA-N 0 3 438.617 -0.166 20 0 IBADHN CCN1CCN(C[C@H](C)CNC(=O)N2CCN([C@@H](C)C(=O)N3CCOCC3)CC2)CC1 ZINC000466138908 1073200220 /nfs/dbraw/zinc/20/02/20/1073200220.db2.gz TZEYYYBRPJECNB-UXHICEINSA-N 0 3 438.617 -0.166 20 0 IBADHN CCN1CCN(C[C@@H](C)CNC(=O)N2CCN([C@H](C)C(=O)N3CCOCC3)CC2)CC1 ZINC000466138911 1073200509 /nfs/dbraw/zinc/20/05/09/1073200509.db2.gz TZEYYYBRPJECNB-VQTJNVASSA-N 0 3 438.617 -0.166 20 0 IBADHN CCN1CCN(C[C@H](C)CNC(=O)N2CCN([C@H](C)C(=O)N3CCOCC3)CC2)CC1 ZINC000466138914 1073200287 /nfs/dbraw/zinc/20/02/87/1073200287.db2.gz TZEYYYBRPJECNB-WOJBJXKFSA-N 0 3 438.617 -0.166 20 0 IBADHN C[C@@H](CNC(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1)CN1CCN(C)CC1 ZINC000466143892 1073200327 /nfs/dbraw/zinc/20/03/27/1073200327.db2.gz YZEODCMSJLRDEF-INIZCTEOSA-N 0 3 428.559 -0.285 20 0 IBADHN C[C@H](CNC(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1)CN1CCN(C)CC1 ZINC000466143906 1073200449 /nfs/dbraw/zinc/20/04/49/1073200449.db2.gz YZEODCMSJLRDEF-MRXNPFEDSA-N 0 3 428.559 -0.285 20 0 IBADHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 ZINC000466201472 1073205226 /nfs/dbraw/zinc/20/52/26/1073205226.db2.gz DPAHQAIDOLTIEY-GXTWGEPZSA-N 0 3 425.511 -0.123 20 0 IBADHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 ZINC000466201474 1073205123 /nfs/dbraw/zinc/20/51/23/1073205123.db2.gz DPAHQAIDOLTIEY-JSGCOSHPSA-N 0 3 425.511 -0.123 20 0 IBADHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 ZINC000466201476 1073205205 /nfs/dbraw/zinc/20/52/05/1073205205.db2.gz DPAHQAIDOLTIEY-OCCSQVGLSA-N 0 3 425.511 -0.123 20 0 IBADHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 ZINC000466201477 1073205182 /nfs/dbraw/zinc/20/51/82/1073205182.db2.gz DPAHQAIDOLTIEY-TZMCWYRMSA-N 0 3 425.511 -0.123 20 0 IBADHN CN(CC(=O)N1CCOCC1)C(=O)CN1C(=O)N[C@@]2(CCN(Cc3ccccc3)C2)C1=O ZINC000466501067 1073222410 /nfs/dbraw/zinc/22/24/10/1073222410.db2.gz YTEISQKLTVPESB-JOCHJYFZSA-N 0 3 443.504 -0.500 20 0 IBADHN CN(CC(=O)N1CCOCC1)C(=O)CN1C(=O)N[C@]2(CCN(Cc3ccccc3)C2)C1=O ZINC000466501068 1073222437 /nfs/dbraw/zinc/22/24/37/1073222437.db2.gz YTEISQKLTVPESB-QFIPXVFZSA-N 0 3 443.504 -0.500 20 0 IBADHN CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)N[C@H]1CCN(Cc3ccccc3)C1)C2 ZINC000466940834 1074510847 /nfs/dbraw/zinc/51/08/47/1074510847.db2.gz RBVQMTROQIXQJK-KRWDZBQOSA-N 0 3 427.509 -0.067 20 0 IBADHN CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)N[C@@H]1CCN(Cc3ccccc3)C1)C2 ZINC000466940835 1074511374 /nfs/dbraw/zinc/51/13/74/1074511374.db2.gz RBVQMTROQIXQJK-QGZVFWFLSA-N 0 3 427.509 -0.067 20 0 IBADHN CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)NC[C@H](Cc1ccccc1)N(C)C)C2 ZINC000466955600 1074511440 /nfs/dbraw/zinc/51/14/40/1074511440.db2.gz SNASMVYAZUTWOY-KRWDZBQOSA-N 0 3 429.525 -0.169 20 0 IBADHN CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)NC[C@@H](Cc1ccccc1)N(C)C)C2 ZINC000466955601 1074511988 /nfs/dbraw/zinc/51/19/88/1074511988.db2.gz SNASMVYAZUTWOY-QGZVFWFLSA-N 0 3 429.525 -0.169 20 0 IBADHN CC(C)OCCN1CCC(NC(=O)N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)CC1 ZINC000466963680 1074512016 /nfs/dbraw/zinc/51/20/16/1074512016.db2.gz GNIUJUURQJLESE-UHFFFAOYSA-N 0 3 437.545 -0.452 20 0 IBADHN CN(C)Cc1cccc(NC(=O)C(=O)N2CCn3c(nn(CC(=O)N(C)C)c3=O)C2)c1 ZINC000467126579 1074520823 /nfs/dbraw/zinc/52/08/23/1074520823.db2.gz DZICUSMCGBISTO-UHFFFAOYSA-N 0 3 429.481 -0.825 20 0 IBADHN Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1 ZINC000467131514 1074521097 /nfs/dbraw/zinc/52/10/97/1074521097.db2.gz MGWLWRZRPKLZSQ-UHFFFAOYSA-N 0 3 443.508 -0.516 20 0 IBADHN CC(CN1CCN(c2nccn(C)c2=O)CC1)CN1CCN(c2nccn(C)c2=O)CC1 ZINC000467167282 1074525546 /nfs/dbraw/zinc/52/55/46/1074525546.db2.gz BIPNZZKWXXZENX-UHFFFAOYSA-N 0 3 442.568 -0.546 20 0 IBADHN CN(C)C(=O)Cn1nc2n(c1=O)CCN(CC(=O)NC[C@@H](c1ccccc1)N(C)C)C2 ZINC000467303258 1074531479 /nfs/dbraw/zinc/53/14/79/1074531479.db2.gz WERGXSYQUGPYQY-KRWDZBQOSA-N 0 3 429.525 -0.632 20 0 IBADHN CN(C)C(=O)Cn1nc2n(c1=O)CCN(CC(=O)NC[C@H](c1ccccc1)N(C)C)C2 ZINC000467303259 1074531759 /nfs/dbraw/zinc/53/17/59/1074531759.db2.gz WERGXSYQUGPYQY-QGZVFWFLSA-N 0 3 429.525 -0.632 20 0 IBADHN C[C@H]1CS(=O)(=O)CCN1C(=O)C(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1 ZINC000467321182 1074532799 /nfs/dbraw/zinc/53/27/99/1074532799.db2.gz KOCOPQRAZTXMSP-AWEZNQCLSA-N 0 3 436.534 -0.032 20 0 IBADHN C[C@@H]1CS(=O)(=O)CCN1C(=O)C(=O)Nc1cccc(CN2CCC(C(N)=O)CC2)c1 ZINC000467321183 1074532877 /nfs/dbraw/zinc/53/28/77/1074532877.db2.gz KOCOPQRAZTXMSP-CQSZACIVSA-N 0 3 436.534 -0.032 20 0 IBADHN Cn1cnc2c1c(=O)n(CC(=O)NCc1ccccc1CN1CCC(O)CC1)c(=O)n2C ZINC000467510781 1074537380 /nfs/dbraw/zinc/53/73/80/1074537380.db2.gz FNBFAYRKLIBEMA-UHFFFAOYSA-N 0 3 440.504 -0.293 20 0 IBADHN CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)N(C)CCCN2CCN(C)CC2)s1 ZINC000467544243 1074538367 /nfs/dbraw/zinc/53/83/67/1074538367.db2.gz UTPXEYRRUFPSLL-UHFFFAOYSA-N 0 3 445.611 -0.242 20 0 IBADHN CN(CCCN1CCN(C)CC1)C(=O)[C@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 ZINC000467545026 1074539002 /nfs/dbraw/zinc/53/90/02/1074539002.db2.gz YOWCETMVHWBQBM-INIZCTEOSA-N 0 3 437.566 -0.217 20 0 IBADHN CN(CCCN1CCN(C)CC1)C(=O)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 ZINC000467545027 1074538847 /nfs/dbraw/zinc/53/88/47/1074538847.db2.gz YOWCETMVHWBQBM-MRXNPFEDSA-N 0 3 437.566 -0.217 20 0 IBADHN Cc1cc(NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n(-c2ncccn2)n1 ZINC000467581645 1074539298 /nfs/dbraw/zinc/53/92/98/1074539298.db2.gz ZDVOQNYLYLAMSK-HNNXBMFYSA-N 0 3 426.481 -0.326 20 0 IBADHN Cc1cc(NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)n(-c2ncccn2)n1 ZINC000467581646 1074539332 /nfs/dbraw/zinc/53/93/32/1074539332.db2.gz ZDVOQNYLYLAMSK-OAHLLOKOSA-N 0 3 426.481 -0.326 20 0 IBADHN Cc1cc(NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)n(-c2ncccn2)n1 ZINC000467604058 1074541097 /nfs/dbraw/zinc/54/10/97/1074541097.db2.gz VBAKCSOXOVBXGP-UHFFFAOYSA-N 0 3 426.481 -0.324 20 0 IBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)Nc2cc(C)nn2-c2ncccn2)CC1 ZINC000467617010 1074542699 /nfs/dbraw/zinc/54/26/99/1074542699.db2.gz DKSBUYWFKSZSOW-UHFFFAOYSA-N 0 3 428.497 -0.078 20 0 IBADHN Cc1cc(NC(=O)C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)n(-c2ncccn2)n1 ZINC000467622309 1074543037 /nfs/dbraw/zinc/54/30/37/1074543037.db2.gz BRELMSNFWOFWHF-HNNXBMFYSA-N 0 3 428.497 -0.032 20 0 IBADHN Cc1cc(NC(=O)C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)n(-c2ncccn2)n1 ZINC000467622310 1074543232 /nfs/dbraw/zinc/54/32/32/1074543232.db2.gz BRELMSNFWOFWHF-OAHLLOKOSA-N 0 3 428.497 -0.032 20 0 IBADHN CN(C)CC(=O)Nc1ccc(NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)cc1 ZINC000467627922 1074543249 /nfs/dbraw/zinc/54/32/49/1074543249.db2.gz DSCYGOFJMJKMLJ-UHFFFAOYSA-N 0 3 444.536 -0.108 20 0 IBADHN CN(C)CCn1c2cc(NC(=O)C(=O)N3CCc4nn(C)c(=O)cc4C3)ccc2oc1=O ZINC000467652444 1074545427 /nfs/dbraw/zinc/54/54/27/1074545427.db2.gz BFQUFVJXWJGVCF-UHFFFAOYSA-N 0 3 440.460 -0.227 20 0 IBADHN CNc1nc(N2CC[C@H](CN3CCOCC3)C2)nc(N2CC[C@@H](CN3CCOCC3)C2)n1 ZINC000467716314 1074547385 /nfs/dbraw/zinc/54/73/85/1074547385.db2.gz WAQXUCKGRYZSTN-KDURUIRLSA-N 0 3 446.600 -0.348 20 0 IBADHN CNc1nc(N2CC[C@@H](CN3CCOCC3)C2)nc(N2CC[C@@H](CN3CCOCC3)C2)n1 ZINC000467716315 1074547278 /nfs/dbraw/zinc/54/72/78/1074547278.db2.gz WAQXUCKGRYZSTN-OALUTQOASA-N 0 3 446.600 -0.348 20 0 IBADHN CNc1nc(N2CC[C@H](CN3CCOCC3)C2)nc(N2CC[C@H](CN3CCOCC3)C2)n1 ZINC000467716316 1074547311 /nfs/dbraw/zinc/54/73/11/1074547311.db2.gz WAQXUCKGRYZSTN-RTBURBONSA-N 0 3 446.600 -0.348 20 0 IBADHN CNc1nc(NC2CCN(C(=O)C3CC3)CC2)nc(NC2CCN(C(=O)C3CC3)CC2)n1 ZINC000467744837 1074547380 /nfs/dbraw/zinc/54/73/80/1074547380.db2.gz VIXXTOHXQBFFII-UHFFFAOYSA-N 0 3 442.568 -0.195 20 0 IBADHN CNc1nc(N2CCN(C3CCOCC3)CC2)nc(N2CCN(C3CCOCC3)CC2)n1 ZINC000467782448 1074548336 /nfs/dbraw/zinc/54/83/36/1074548336.db2.gz ITZQAQYWTKOAAM-UHFFFAOYSA-N 0 3 446.600 -0.063 20 0 IBADHN COCCN(C)CCNC(=O)NC1CN(S(=O)(=O)c2ccc3c(c2)OCCO3)C1 ZINC000467893911 1074553256 /nfs/dbraw/zinc/55/32/56/1074553256.db2.gz REMNBXVPZGQDHN-UHFFFAOYSA-N 0 3 428.511 -0.292 20 0 IBADHN COCCN1CC[C@H](NC(=O)NC2CN(S(=O)(=O)c3ccc4c(c3)OCCO4)C2)C1 ZINC000467972274 1074554910 /nfs/dbraw/zinc/55/49/10/1074554910.db2.gz YEECBAAUFHWPCV-AWEZNQCLSA-N 0 3 440.522 -0.149 20 0 IBADHN COCCN1CC[C@@H](NC(=O)NC2CN(S(=O)(=O)c3ccc4c(c3)OCCO4)C2)C1 ZINC000467972275 1074554874 /nfs/dbraw/zinc/55/48/74/1074554874.db2.gz YEECBAAUFHWPCV-CQSZACIVSA-N 0 3 440.522 -0.149 20 0 IBADHN CNC(=O)N[C@H]1CCN(C(=O)C(=O)Nc2cccc(CN3CCC(C(N)=O)CC3)c2)C1 ZINC000468082594 1074560694 /nfs/dbraw/zinc/56/06/94/1074560694.db2.gz JPNAKUODFPJOEV-KRWDZBQOSA-N 0 3 430.509 -0.148 20 0 IBADHN CNC(=O)N[C@@H]1CCN(C(=O)C(=O)Nc2cccc(CN3CCC(C(N)=O)CC3)c2)C1 ZINC000468082595 1074560760 /nfs/dbraw/zinc/56/07/60/1074560760.db2.gz JPNAKUODFPJOEV-QGZVFWFLSA-N 0 3 430.509 -0.148 20 0 IBADHN NC(=O)c1cc(S(=O)(=O)NCC(=O)NCc2ccccc2C[N@H+]2CCC[C@H]2CO)c[n-]1 ZINC000468176351 1074562856 /nfs/dbraw/zinc/56/28/56/1074562856.db2.gz CLKYSZDWVKKBEN-INIZCTEOSA-N 0 3 449.533 -0.335 20 0 IBADHN NC(=O)c1cc(S(=O)(=O)NCC(=O)NCc2ccccc2C[N@@H+]2CCC[C@H]2CO)c[n-]1 ZINC000468176351 1074562851 /nfs/dbraw/zinc/56/28/51/1074562851.db2.gz CLKYSZDWVKKBEN-INIZCTEOSA-N 0 3 449.533 -0.335 20 0 IBADHN NC(=O)c1cc(S(=O)(=O)NCC(=O)NCc2ccccc2C[N@H+]2CCC[C@@H]2CO)c[n-]1 ZINC000468176358 1074562835 /nfs/dbraw/zinc/56/28/35/1074562835.db2.gz CLKYSZDWVKKBEN-MRXNPFEDSA-N 0 3 449.533 -0.335 20 0 IBADHN NC(=O)c1cc(S(=O)(=O)NCC(=O)NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)c[n-]1 ZINC000468176358 1074562823 /nfs/dbraw/zinc/56/28/23/1074562823.db2.gz CLKYSZDWVKKBEN-MRXNPFEDSA-N 0 3 449.533 -0.335 20 0 IBADHN CN(C)CCN1C[C@@H](C(=O)N2CCN(S(=O)(=O)N3CCCCCC3)CC2)CC1=O ZINC000468180357 1074562899 /nfs/dbraw/zinc/56/28/99/1074562899.db2.gz XJHHHPYHPBTJHG-KRWDZBQOSA-N 0 3 429.587 -0.339 20 0 IBADHN CN(C)CCN1C[C@H](C(=O)N2CCN(S(=O)(=O)N3CCCCCC3)CC2)CC1=O ZINC000468180361 1071055713 /nfs/dbraw/zinc/05/57/13/1071055713.db2.gz XJHHHPYHPBTJHG-QGZVFWFLSA-N 0 3 429.587 -0.339 20 0 IBADHN CN(C)CCN1C[C@@H](C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)s2)CC1=O ZINC000468252904 1074564525 /nfs/dbraw/zinc/56/45/25/1074564525.db2.gz CQERFSXHEQJRKS-AWEZNQCLSA-N 0 3 444.579 -0.205 20 0 IBADHN CN(C)CCN1C[C@H](C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)s2)CC1=O ZINC000468252908 1074564570 /nfs/dbraw/zinc/56/45/70/1074564570.db2.gz CQERFSXHEQJRKS-CQSZACIVSA-N 0 3 444.579 -0.205 20 0 IBADHN O=C(CCN1CCN(c2ccccc2)CC1)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000468259541 1074564912 /nfs/dbraw/zinc/56/49/12/1074564912.db2.gz GWBVGLSREVFAFU-UHFFFAOYSA-N 0 3 443.548 -0.272 20 0 IBADHN Cc1noc(C)c1S(=O)(=O)N1CCCN(C(=O)[C@H]2CC(=O)N(CCN(C)C)C2)CC1 ZINC000468260046 1074565027 /nfs/dbraw/zinc/56/50/27/1074565027.db2.gz GDGHNOGOXOSUGZ-INIZCTEOSA-N 0 3 441.554 -0.075 20 0 IBADHN Cc1noc(C)c1S(=O)(=O)N1CCCN(C(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)CC1 ZINC000468260047 1074565007 /nfs/dbraw/zinc/56/50/07/1074565007.db2.gz GDGHNOGOXOSUGZ-MRXNPFEDSA-N 0 3 441.554 -0.075 20 0 IBADHN CN(C)CCN1C[C@@H](C(=O)Nc2ccc(NC(=O)CCN3C(=O)CNC3=O)cc2)CC1=O ZINC000468394598 1074570770 /nfs/dbraw/zinc/57/07/70/1074570770.db2.gz HZOZPGFERABGPC-AWEZNQCLSA-N 0 3 444.492 -0.084 20 0 IBADHN CN(C)CCN1C[C@H](C(=O)Nc2ccc(NC(=O)CCN3C(=O)CNC3=O)cc2)CC1=O ZINC000468394599 1074570705 /nfs/dbraw/zinc/57/07/05/1074570705.db2.gz HZOZPGFERABGPC-CQSZACIVSA-N 0 3 444.492 -0.084 20 0 IBADHN COCCNS(=O)(=O)c1ccc(CNC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)cc1 ZINC000468403262 1074570731 /nfs/dbraw/zinc/57/07/31/1074570731.db2.gz WASXIBVPHATWOC-INIZCTEOSA-N 0 3 426.539 -0.362 20 0 IBADHN COCCNS(=O)(=O)c1ccc(CNC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)cc1 ZINC000468403263 1074570721 /nfs/dbraw/zinc/57/07/21/1074570721.db2.gz WASXIBVPHATWOC-MRXNPFEDSA-N 0 3 426.539 -0.362 20 0 IBADHN CN1CCN(Cc2ccc(CNC(=O)CNS(=O)(=O)c3c[nH]c(C(N)=O)c3)cc2)CC1 ZINC000468420482 1074571563 /nfs/dbraw/zinc/57/15/63/1074571563.db2.gz RYKMWBRHEFRWLC-UHFFFAOYSA-N 0 3 448.549 -0.544 20 0 IBADHN COC(=O)CNS(=O)(=O)c1cccc(NC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)c1 ZINC000468433587 1074573145 /nfs/dbraw/zinc/57/31/45/1074573145.db2.gz YZLLWWKLGHKXBT-CYBMUJFWSA-N 0 3 426.495 -0.514 20 0 IBADHN COC(=O)CNS(=O)(=O)c1cccc(NC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)c1 ZINC000468433588 1074573190 /nfs/dbraw/zinc/57/31/90/1074573190.db2.gz YZLLWWKLGHKXBT-ZDUSSCGKSA-N 0 3 426.495 -0.514 20 0 IBADHN CN(C)[C@@H](CNC(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1)Cc1ccccc1 ZINC000468444850 1074574101 /nfs/dbraw/zinc/57/41/01/1074574101.db2.gz KFUAEADVVDUIOB-GOSISDBHSA-N 0 3 442.520 -0.031 20 0 IBADHN CN(C)[C@H](CNC(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1)Cc1ccccc1 ZINC000468444851 1074573993 /nfs/dbraw/zinc/57/39/93/1074573993.db2.gz KFUAEADVVDUIOB-SFHVURJKSA-N 0 3 442.520 -0.031 20 0 IBADHN CN(C)CCN(Cc1ccccc1)C(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 ZINC000468446940 1073307309 /nfs/dbraw/zinc/30/73/09/1073307309.db2.gz FNPZSQPJANZFSL-UHFFFAOYSA-N 0 3 442.520 0.271 20 0 IBADHN CN(C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 ZINC000468464797 1073308745 /nfs/dbraw/zinc/30/87/45/1073308745.db2.gz CTXVRYCYEVLTCL-GOSISDBHSA-N 0 3 442.520 -0.031 20 0 IBADHN CN(C)C[C@H](Cc1ccccc1)NC(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 ZINC000468464798 1074576077 /nfs/dbraw/zinc/57/60/77/1074576077.db2.gz CTXVRYCYEVLTCL-SFHVURJKSA-N 0 3 442.520 -0.031 20 0 IBADHN Cc1n[nH]c(SCC(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)n1 ZINC000468471241 1074576348 /nfs/dbraw/zinc/57/63/48/1074576348.db2.gz UJMAOTZYUSHRHO-UHFFFAOYSA-N 0 3 425.540 -0.132 20 0 IBADHN O=C(CC1(N2CCOCC2)CCCC1)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000468606527 1074580414 /nfs/dbraw/zinc/58/04/14/1074580414.db2.gz HCOUCINNECRJAZ-UHFFFAOYSA-N 0 3 430.571 -0.257 20 0 IBADHN CN(C)CCN(Cc1ccco1)C(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 ZINC000468610806 1074580437 /nfs/dbraw/zinc/58/04/37/1074580437.db2.gz LFOJNDMUVMYAGV-UHFFFAOYSA-N 0 3 432.481 -0.136 20 0 IBADHN COCCNc1nc(N[C@@H]2CC(=O)N(C(C)C)C2)nc(N[C@H]2CC(=O)N(C(C)C)C2)n1 ZINC000468640273 1074582083 /nfs/dbraw/zinc/58/20/83/1074582083.db2.gz WMVOASAUTTYWCW-GASCZTMLSA-N 0 3 434.545 -0.962 20 0 IBADHN O=C(CN1CCCC1)N1CCN(c2ccc(C(=O)N3CCS(=O)(=O)CC3)cn2)CC1 ZINC000468715347 1074586441 /nfs/dbraw/zinc/58/64/41/1074586441.db2.gz PWRMJTSSTUFQIV-UHFFFAOYSA-N 0 3 435.550 -0.303 20 0 IBADHN CN1CCC[C@H]1C(=O)N1CCN(c2ccc(C(=O)N3CCS(=O)(=O)CC3)cn2)CC1 ZINC000468717874 1074587017 /nfs/dbraw/zinc/58/70/17/1074587017.db2.gz VFZXDNPAUNWULX-KRWDZBQOSA-N 0 3 435.550 -0.305 20 0 IBADHN CN1CCC[C@@H]1C(=O)N1CCN(c2ccc(C(=O)N3CCS(=O)(=O)CC3)cn2)CC1 ZINC000468717875 1074586950 /nfs/dbraw/zinc/58/69/50/1074586950.db2.gz VFZXDNPAUNWULX-QGZVFWFLSA-N 0 3 435.550 -0.305 20 0 IBADHN CCN(CC)CC(=O)N1CCN(c2ccc(C(=O)N3CCS(=O)(=O)CC3)cn2)CC1 ZINC000468725347 1074587665 /nfs/dbraw/zinc/58/76/65/1074587665.db2.gz QIROKVLKAQJYQP-UHFFFAOYSA-N 0 3 437.566 -0.057 20 0 IBADHN COc1ccc(C(=O)NCCN2CCN(C(=O)[C@H]3CC(=O)N(CCN(C)C)C3)CC2)cc1 ZINC000468829669 1074590853 /nfs/dbraw/zinc/59/08/53/1074590853.db2.gz DFMNRZCHHLECDJ-IBGZPJMESA-N 0 3 445.564 -0.021 20 0 IBADHN COc1ccc(C(=O)NCCN2CCN(C(=O)[C@@H]3CC(=O)N(CCN(C)C)C3)CC2)cc1 ZINC000468830643 1074591316 /nfs/dbraw/zinc/59/13/16/1074591316.db2.gz DFMNRZCHHLECDJ-LJQANCHMSA-N 0 3 445.564 -0.021 20 0 IBADHN CN(C)CCn1c2cc(NC(=O)CN3CCN(S(C)(=O)=O)CC3)ccc2oc1=O ZINC000468842201 1074591619 /nfs/dbraw/zinc/59/16/19/1074591619.db2.gz FJDVRDZOBGBFDQ-UHFFFAOYSA-N 0 3 425.511 -0.328 20 0 IBADHN CCN(CC)CC(=O)N1CCN(C(=O)c2cc(S(=O)(=O)NCCOC)c[nH]2)CC1 ZINC000468844852 1074591700 /nfs/dbraw/zinc/59/17/00/1074591700.db2.gz GUWYQKNIXPDLHU-UHFFFAOYSA-N 0 3 429.543 -0.434 20 0 IBADHN COCCNS(=O)(=O)c1c[nH]c(C(=O)N2CCN(C(=O)CN3CCCC3)CC2)c1 ZINC000468848306 1074591804 /nfs/dbraw/zinc/59/18/04/1074591804.db2.gz GEYOWLUHILCGJN-UHFFFAOYSA-N 0 3 427.527 -0.680 20 0 IBADHN CN(C)CCN1C[C@@H](C(=O)N2CCN(Cc3nnnn3-c3ccccc3)CC2)CC1=O ZINC000468860193 1074592075 /nfs/dbraw/zinc/59/20/75/1074592075.db2.gz GMAREPBTVQLWHK-KRWDZBQOSA-N 0 3 426.525 -0.283 20 0 IBADHN CN(C)CCN1C[C@H](C(=O)N2CCN(Cc3nnnn3-c3ccccc3)CC2)CC1=O ZINC000468860392 1074592280 /nfs/dbraw/zinc/59/22/80/1074592280.db2.gz GMAREPBTVQLWHK-QGZVFWFLSA-N 0 3 426.525 -0.283 20 0 IBADHN Cc1cccc(N2CCN(CCC(=O)N3CCN(C(=O)Cn4cnnn4)CC3)CC2)c1 ZINC000468867136 1074592148 /nfs/dbraw/zinc/59/21/48/1074592148.db2.gz GJFHSGCSMWEEIB-UHFFFAOYSA-N 0 3 426.525 -0.135 20 0 IBADHN CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)NC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)c1 ZINC000468881147 1074593099 /nfs/dbraw/zinc/59/30/99/1074593099.db2.gz ISKVJPSWQGPVGZ-KBPBESRZSA-N 0 3 439.538 -0.552 20 0 IBADHN CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)NC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)c1 ZINC000468881499 1074593051 /nfs/dbraw/zinc/59/30/51/1074593051.db2.gz ISKVJPSWQGPVGZ-KGLIPLIRSA-N 0 3 439.538 -0.552 20 0 IBADHN CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)NC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)c1 ZINC000468881767 1074593076 /nfs/dbraw/zinc/59/30/76/1074593076.db2.gz ISKVJPSWQGPVGZ-UONOGXRCSA-N 0 3 439.538 -0.552 20 0 IBADHN CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)NC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)c1 ZINC000468881886 1074592981 /nfs/dbraw/zinc/59/29/81/1074592981.db2.gz ISKVJPSWQGPVGZ-ZIAGYGMSSA-N 0 3 439.538 -0.552 20 0 IBADHN O=C(Cn1ccc(NC(=O)C(=O)N2CCCN(C3CCCC3)CC2)n1)N1CCOCC1 ZINC000468923814 1074594396 /nfs/dbraw/zinc/59/43/96/1074594396.db2.gz HXMCUPIYDRLYJU-UHFFFAOYSA-N 0 3 432.525 0.157 20 0 IBADHN CS(=O)(=O)N1CCN(CC(=O)Nc2cccc(CN3CCC(C(N)=O)CC3)c2)CC1 ZINC000468956630 1074595129 /nfs/dbraw/zinc/59/51/29/1074595129.db2.gz LVORBWARYPCYAU-UHFFFAOYSA-N 0 3 437.566 -0.100 20 0 IBADHN O=C(CN1CCCC1)N1CCN(C(=O)[C@@H]2CCCCN2C(=O)c2ccc(=O)[nH]n2)CC1 ZINC000468959738 1074595146 /nfs/dbraw/zinc/59/51/46/1074595146.db2.gz NOWSXJICZVLSQG-KRWDZBQOSA-N 0 3 430.509 -0.057 20 0 IBADHN O=C(CN1CCCC1)N1CCN(C(=O)[C@H]2CCCCN2C(=O)c2ccc(=O)[nH]n2)CC1 ZINC000468960009 1074595237 /nfs/dbraw/zinc/59/52/37/1074595237.db2.gz NOWSXJICZVLSQG-QGZVFWFLSA-N 0 3 430.509 -0.057 20 0 IBADHN CC(C)N(CCCNC(=O)CN(C)C1CCN(S(C)(=O)=O)CC1)S(C)(=O)=O ZINC000468962005 1073181267 /nfs/dbraw/zinc/18/12/67/1073181267.db2.gz LBUVZBOIDNGWEN-UHFFFAOYSA-N 0 3 426.605 -0.482 20 0 IBADHN CN(C)CCN(Cc1cccs1)C(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 ZINC000468963505 1073307122 /nfs/dbraw/zinc/30/71/22/1073307122.db2.gz KOTUAFSARPJGKL-UHFFFAOYSA-N 0 3 448.549 0.332 20 0 IBADHN CN(CC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1)C1CCN(S(C)(=O)=O)CC1 ZINC000469072096 1074597901 /nfs/dbraw/zinc/59/79/01/1074597901.db2.gz RIZNOMLPQCRJMT-UHFFFAOYSA-N 0 3 431.603 -0.599 20 0 IBADHN O=C(CN1CCCC1)N1CCN(C(=O)C(=O)Nc2ccn(CCc3ccncc3)n2)CC1 ZINC000469074174 1073319985 /nfs/dbraw/zinc/31/99/85/1073319985.db2.gz PWLRCTJXHPBTJI-UHFFFAOYSA-N 0 3 439.520 0.226 20 0 IBADHN Cc1nc(S(=O)(=O)N2CCN(C(=O)[C@H]3CC(=O)N(CCN(C)C)C3)CC2)cs1 ZINC000469108747 1074598971 /nfs/dbraw/zinc/59/89/71/1074598971.db2.gz XNKSVUVGIDRBEF-AWEZNQCLSA-N 0 3 429.568 -0.305 20 0 IBADHN Cc1nc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CC(=O)N(CCN(C)C)C3)CC2)cs1 ZINC000469108872 1074599080 /nfs/dbraw/zinc/59/90/80/1074599080.db2.gz XNKSVUVGIDRBEF-CQSZACIVSA-N 0 3 429.568 -0.305 20 0 IBADHN CN(C)CCN1C[C@H](C(=O)N(CCCN2CCOCC2)[C@H]2CCS(=O)(=O)C2)CC1=O ZINC000469110302 1074599164 /nfs/dbraw/zinc/59/91/64/1074599164.db2.gz SZYBKPRDIGDWSQ-MSOLQXFVSA-N 0 3 444.598 -0.866 20 0 IBADHN CN(C)CCN1C[C@H](C(=O)N(CCCN2CCOCC2)[C@@H]2CCS(=O)(=O)C2)CC1=O ZINC000469110540 1074599020 /nfs/dbraw/zinc/59/90/20/1074599020.db2.gz SZYBKPRDIGDWSQ-QZTJIDSGSA-N 0 3 444.598 -0.866 20 0 IBADHN CN(C)CCN1C[C@@H](C(=O)N(CCCN2CCOCC2)[C@H]2CCS(=O)(=O)C2)CC1=O ZINC000469110657 1074599141 /nfs/dbraw/zinc/59/91/41/1074599141.db2.gz SZYBKPRDIGDWSQ-ROUUACIJSA-N 0 3 444.598 -0.866 20 0 IBADHN CN(C)CCN1C[C@@H](C(=O)N(CCCN2CCOCC2)[C@@H]2CCS(=O)(=O)C2)CC1=O ZINC000469110840 1074599127 /nfs/dbraw/zinc/59/91/27/1074599127.db2.gz SZYBKPRDIGDWSQ-ZWKOTPCHSA-N 0 3 444.598 -0.866 20 0 IBADHN CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)c1 ZINC000469126760 1074599742 /nfs/dbraw/zinc/59/97/42/1074599742.db2.gz ZFZFDENJODMBKC-CYBMUJFWSA-N 0 3 425.511 -0.941 20 0 IBADHN CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)c1 ZINC000469126901 1074599623 /nfs/dbraw/zinc/59/96/23/1074599623.db2.gz ZFZFDENJODMBKC-ZDUSSCGKSA-N 0 3 425.511 -0.941 20 0 IBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)Nc2ccn(CCc3ccncc3)n2)CC1 ZINC000469150483 1073335544 /nfs/dbraw/zinc/33/55/44/1073335544.db2.gz UVMUDDUQDVKUPQ-UHFFFAOYSA-N 0 3 441.536 0.472 20 0 IBADHN C[C@@H](CNC(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1)N(C)Cc1ccccc1 ZINC000469212398 1074604377 /nfs/dbraw/zinc/60/43/77/1074604377.db2.gz IURIOLAFDBJLPU-KRWDZBQOSA-N 0 3 442.520 0.317 20 0 IBADHN C[C@H](CNC(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1)N(C)Cc1ccccc1 ZINC000469212547 1074604394 /nfs/dbraw/zinc/60/43/94/1074604394.db2.gz IURIOLAFDBJLPU-QGZVFWFLSA-N 0 3 442.520 0.317 20 0 IBADHN CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N(C)C1CCN(CCn2cccn2)CC1 ZINC000469293225 1074607387 /nfs/dbraw/zinc/60/73/87/1074607387.db2.gz SATXNVLEGDILPT-UHFFFAOYSA-N 0 3 442.586 -0.360 20 0 IBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)Nc1ccn(CCc2ccncc2)n1 ZINC000469322123 1073306190 /nfs/dbraw/zinc/30/61/90/1073306190.db2.gz MUZRVFUCTNLNKU-GOSISDBHSA-N 0 3 441.536 0.518 20 0 IBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)Nc1ccn(CCc2ccncc2)n1 ZINC000469322212 1073306164 /nfs/dbraw/zinc/30/61/64/1073306164.db2.gz MUZRVFUCTNLNKU-SFHVURJKSA-N 0 3 441.536 0.518 20 0 IBADHN CNS(=O)(=O)c1ccccc1N1CCN(C(=O)[C@H]2CC(=O)N(CCN(C)C)C2)CC1 ZINC000469376434 1074611892 /nfs/dbraw/zinc/61/18/92/1074611892.db2.gz DGNIXLDYOVOEQJ-INIZCTEOSA-N 0 3 437.566 -0.347 20 0 IBADHN CNS(=O)(=O)c1ccccc1N1CCN(C(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)CC1 ZINC000469376435 1074611841 /nfs/dbraw/zinc/61/18/41/1074611841.db2.gz DGNIXLDYOVOEQJ-MRXNPFEDSA-N 0 3 437.566 -0.347 20 0 IBADHN CS(=O)(=O)N1CCN(CC(=O)Nc2ccccc2CN2CCC[C@H](C(N)=O)C2)CC1 ZINC000469470984 1074615040 /nfs/dbraw/zinc/61/50/40/1074615040.db2.gz RTYJLADTBRMDIH-KRWDZBQOSA-N 0 3 437.566 -0.100 20 0 IBADHN CS(=O)(=O)N1CCN(CC(=O)Nc2ccccc2CN2CCC[C@@H](C(N)=O)C2)CC1 ZINC000469470985 1074614993 /nfs/dbraw/zinc/61/49/93/1074614993.db2.gz RTYJLADTBRMDIH-QGZVFWFLSA-N 0 3 437.566 -0.100 20 0 IBADHN CCN(CCO)CCNC(=O)Nc1ccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)cc1 ZINC000469475079 1074615085 /nfs/dbraw/zinc/61/50/85/1074615085.db2.gz VGQIYZTULJFSOX-HNNXBMFYSA-N 0 3 448.567 -0.412 20 0 IBADHN CCN(CCO)CCNC(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000469475080 1074615076 /nfs/dbraw/zinc/61/50/76/1074615076.db2.gz VGQIYZTULJFSOX-OAHLLOKOSA-N 0 3 448.567 -0.412 20 0 IBADHN CCN1CCN(CCNC(=O)CNS(=O)(=O)c2ccc(CNC(C)=O)s2)CC1 ZINC000469479806 1074616077 /nfs/dbraw/zinc/61/60/77/1074616077.db2.gz MCHUMXBRBWTOEN-UHFFFAOYSA-N 0 3 431.584 -0.584 20 0 IBADHN C[C@H](CNC(=O)[C@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1)CN1CCN(C)CC1 ZINC000469500011 1074618000 /nfs/dbraw/zinc/61/80/00/1074618000.db2.gz RNAWVNFKVNFNAN-CVEARBPZSA-N 0 3 437.566 -0.313 20 0 IBADHN C[C@@H](CNC(=O)[C@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1)CN1CCN(C)CC1 ZINC000469500012 1074617982 /nfs/dbraw/zinc/61/79/82/1074617982.db2.gz RNAWVNFKVNFNAN-HOTGVXAUSA-N 0 3 437.566 -0.313 20 0 IBADHN C[C@H](CNC(=O)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1)CN1CCN(C)CC1 ZINC000469500013 1074617967 /nfs/dbraw/zinc/61/79/67/1074617967.db2.gz RNAWVNFKVNFNAN-HZPDHXFCSA-N 0 3 437.566 -0.313 20 0 IBADHN C[C@@H](CNC(=O)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1)CN1CCN(C)CC1 ZINC000469500014 1074618019 /nfs/dbraw/zinc/61/80/19/1074618019.db2.gz RNAWVNFKVNFNAN-JKSUJKDBSA-N 0 3 437.566 -0.313 20 0 IBADHN C[C@H](CNC(=O)[C@@H](CCC(N)=O)N1C(=O)c2ccccc2C1=O)CN1CCN(C)CC1 ZINC000469500415 1074618466 /nfs/dbraw/zinc/61/84/66/1074618466.db2.gz WWAMLRAWRJBAGA-CRAIPNDOSA-N 0 3 429.521 -0.084 20 0 IBADHN C[C@@H](CNC(=O)[C@@H](CCC(N)=O)N1C(=O)c2ccccc2C1=O)CN1CCN(C)CC1 ZINC000469500416 1074618562 /nfs/dbraw/zinc/61/85/62/1074618562.db2.gz WWAMLRAWRJBAGA-MAUKXSAKSA-N 0 3 429.521 -0.084 20 0 IBADHN C[C@H](CNC(=O)[C@H](CCC(N)=O)N1C(=O)c2ccccc2C1=O)CN1CCN(C)CC1 ZINC000469500417 1074618592 /nfs/dbraw/zinc/61/85/92/1074618592.db2.gz WWAMLRAWRJBAGA-QAPCUYQASA-N 0 3 429.521 -0.084 20 0 IBADHN C[C@@H](CNC(=O)[C@H](CCC(N)=O)N1C(=O)c2ccccc2C1=O)CN1CCN(C)CC1 ZINC000469500418 1074618541 /nfs/dbraw/zinc/61/85/41/1074618541.db2.gz WWAMLRAWRJBAGA-YJBOKZPZSA-N 0 3 429.521 -0.084 20 0 IBADHN CCN1CCN([C@@H](C)CNC(=O)CNS(=O)(=O)c2ccc(CNC(C)=O)s2)CC1 ZINC000469505431 1074618529 /nfs/dbraw/zinc/61/85/29/1074618529.db2.gz SSFKTVQYVJCIMN-AWEZNQCLSA-N 0 3 445.611 -0.195 20 0 IBADHN CCN1CCN([C@H](C)CNC(=O)CNS(=O)(=O)c2ccc(CNC(C)=O)s2)CC1 ZINC000469505432 1074618979 /nfs/dbraw/zinc/61/89/79/1074618979.db2.gz SSFKTVQYVJCIMN-CQSZACIVSA-N 0 3 445.611 -0.195 20 0 IBADHN COCCNS(=O)(=O)c1cccc(CNC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)c1 ZINC000469537226 1074621090 /nfs/dbraw/zinc/62/10/90/1074621090.db2.gz HMOKFWWQBCTYMI-INIZCTEOSA-N 0 3 426.539 -0.362 20 0 IBADHN COCCNS(=O)(=O)c1cccc(CNC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)c1 ZINC000469537227 1074621220 /nfs/dbraw/zinc/62/12/20/1074621220.db2.gz HMOKFWWQBCTYMI-MRXNPFEDSA-N 0 3 426.539 -0.362 20 0 IBADHN CCN(CCO)CCNC(=O)C(=O)Nc1cc(C(=O)N2CCN(C)CC2)ccc1OC ZINC000469620600 1074624838 /nfs/dbraw/zinc/62/48/38/1074624838.db2.gz ITBDIEVNJNMODW-UHFFFAOYSA-N 0 3 435.525 -0.548 20 0 IBADHN CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)C(=O)Nc1ncn(CC(=O)N(C)C)n1 ZINC000469626111 1074624820 /nfs/dbraw/zinc/62/48/20/1074624820.db2.gz VKJGTMMTDUORII-KRWDZBQOSA-N 0 3 429.525 0.578 20 0 IBADHN CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)C(=O)Nc1ncn(CC(=O)N(C)C)n1 ZINC000469626112 1074624815 /nfs/dbraw/zinc/62/48/15/1074624815.db2.gz VKJGTMMTDUORII-QGZVFWFLSA-N 0 3 429.525 0.578 20 0 IBADHN CCN(CCO)CCNC(=O)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N(C)C ZINC000469626358 1074624780 /nfs/dbraw/zinc/62/47/80/1074624780.db2.gz YGYDLKQFLPWIKV-UHFFFAOYSA-N 0 3 429.543 -0.628 20 0 IBADHN CCN(CCO)CCNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000469633310 1074625341 /nfs/dbraw/zinc/62/53/41/1074625341.db2.gz PVOCAYUVYRJFCU-UHFFFAOYSA-N 0 3 428.511 -0.924 20 0 IBADHN CCN(CCO)CCNC(=O)C(=O)Nc1ccc(N2CCN(C(=O)C3CC3)CC2)nc1 ZINC000469635039 1074625372 /nfs/dbraw/zinc/62/53/72/1074625372.db2.gz VCMZUPMNBWXSQI-UHFFFAOYSA-N 0 3 432.525 -0.491 20 0 IBADHN CCN(CCO)CCNC(=O)C(=O)Nc1ccc(N2CCOCC2)cc1N1CCOCC1 ZINC000469635832 1074625393 /nfs/dbraw/zinc/62/53/93/1074625393.db2.gz YGIMTUQFICMSRX-UHFFFAOYSA-N 0 3 449.552 -0.271 20 0 IBADHN CCN(CCO)CCNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCCC2)c(OC)c1 ZINC000469635976 1074625229 /nfs/dbraw/zinc/62/52/29/1074625229.db2.gz WQTZQWVPQNGFRD-UHFFFAOYSA-N 0 3 442.538 -0.151 20 0 IBADHN CCN(CCO)CCNC(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000469635990 1074625272 /nfs/dbraw/zinc/62/52/72/1074625272.db2.gz XKYFAXSAGFSECC-UHFFFAOYSA-N 0 3 428.511 -0.924 20 0 IBADHN CCN(CCO)CCNC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1C ZINC000469636804 1074625319 /nfs/dbraw/zinc/62/53/19/1074625319.db2.gz CWSNVMRWKLADNQ-UHFFFAOYSA-N 0 3 442.538 -0.615 20 0 IBADHN CCN(CCO)CCNC(=O)C(=O)Nc1cccc(Cn2nc3ccccn3c2=O)c1 ZINC000469637740 1074625431 /nfs/dbraw/zinc/62/54/31/1074625431.db2.gz PEOVQARLYCKXFX-UHFFFAOYSA-N 0 3 426.477 -0.087 20 0 IBADHN CCN(CCO)CCNC(=O)C(=O)Nc1ncn(Cc2cccc(Br)c2)n1 ZINC000469640525 1074625355 /nfs/dbraw/zinc/62/53/55/1074625355.db2.gz GZZWUQGVJSSVBT-UHFFFAOYSA-N 0 3 439.314 0.458 20 0 IBADHN CCN(CCO)CCNC(=O)C(=O)N1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21 ZINC000469640852 1074625384 /nfs/dbraw/zinc/62/53/84/1074625384.db2.gz IDAMDKUJHKZNPS-GOSISDBHSA-N 0 3 434.493 -0.930 20 0 IBADHN CCN(CCO)CCNC(=O)C(=O)N1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21 ZINC000469640853 1074625309 /nfs/dbraw/zinc/62/53/09/1074625309.db2.gz IDAMDKUJHKZNPS-SFHVURJKSA-N 0 3 434.493 -0.930 20 0 IBADHN CCN(CCO)CCNC(=O)C(=O)Nc1ccc2c(ccn2CC(=O)N2CCOCC2)c1 ZINC000469644755 1074625722 /nfs/dbraw/zinc/62/57/22/1074625722.db2.gz XTIWJPDKOXSPQA-UHFFFAOYSA-N 0 3 445.520 -0.131 20 0 IBADHN CCN(CCO)CCNC(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 ZINC000469645873 1074625845 /nfs/dbraw/zinc/62/58/45/1074625845.db2.gz VKBHRLYJMRVOQH-UHFFFAOYSA-N 0 3 446.501 -0.785 20 0 IBADHN COC[C@](C)(CNC(=O)[C@H]1CN(C(C)C)CCO1)NC(=O)[C@@H]1CN(C(C)C)CCO1 ZINC000469666054 1074625822 /nfs/dbraw/zinc/62/58/22/1074625822.db2.gz VVWSFFJTPOCXEX-LQWHRVPQSA-N 0 3 428.574 -0.158 20 0 IBADHN COC[C@](C)(CNC(=O)[C@H]1CN(C(C)C)CCO1)NC(=O)[C@H]1CN(C(C)C)CCO1 ZINC000469666055 1074625764 /nfs/dbraw/zinc/62/57/64/1074625764.db2.gz VVWSFFJTPOCXEX-OPYAIIAOSA-N 0 3 428.574 -0.158 20 0 IBADHN COC[C@](C)(CNC(=O)[C@@H]1CN(C(C)C)CCO1)NC(=O)[C@H]1CN(C(C)C)CCO1 ZINC000469666056 1074625889 /nfs/dbraw/zinc/62/58/89/1074625889.db2.gz VVWSFFJTPOCXEX-UEXGIBASSA-N 0 3 428.574 -0.158 20 0 IBADHN COC[C@](C)(CNC(=O)[C@@H]1CN(C(C)C)CCO1)NC(=O)[C@@H]1CN(C(C)C)CCO1 ZINC000469666057 1074625789 /nfs/dbraw/zinc/62/57/89/1074625789.db2.gz VVWSFFJTPOCXEX-WFXMLNOXSA-N 0 3 428.574 -0.158 20 0 IBADHN CN(C)CCN1C[C@@H](C(=O)NC2CCN(S(=O)(=O)c3cnn(C)c3)CC2)CC1=O ZINC000469747909 1074628401 /nfs/dbraw/zinc/62/84/01/1074628401.db2.gz FIQZTFMJVIIZLW-AWEZNQCLSA-N 0 3 426.543 -0.901 20 0 IBADHN CN(C)CCN1C[C@H](C(=O)NC2CCN(S(=O)(=O)c3cnn(C)c3)CC2)CC1=O ZINC000469747910 1074628485 /nfs/dbraw/zinc/62/84/85/1074628485.db2.gz FIQZTFMJVIIZLW-CQSZACIVSA-N 0 3 426.543 -0.901 20 0 IBADHN C[C@@H](CO)N1CCCN(CC(=O)N2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)CC1 ZINC000469831438 1074628962 /nfs/dbraw/zinc/62/89/62/1074628962.db2.gz NRVPQADLWUSFQP-GHTZIAJQSA-N 0 3 446.548 -0.114 20 0 IBADHN C[C@H](CO)N1CCCN(CC(=O)N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)CC1 ZINC000469831439 1074628921 /nfs/dbraw/zinc/62/89/21/1074628921.db2.gz NRVPQADLWUSFQP-NQIIRXRSSA-N 0 3 446.548 -0.114 20 0 IBADHN C[C@@H](CO)N1CCCN(CC(=O)N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)CC1 ZINC000469831440 1074628995 /nfs/dbraw/zinc/62/89/95/1074628995.db2.gz NRVPQADLWUSFQP-RXVVDRJESA-N 0 3 446.548 -0.114 20 0 IBADHN C[C@H](CO)N1CCCN(CC(=O)N2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)CC1 ZINC000469831441 1074629009 /nfs/dbraw/zinc/62/90/09/1074629009.db2.gz NRVPQADLWUSFQP-WIYYLYMNSA-N 0 3 446.548 -0.114 20 0 IBADHN Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)CN2CCCN([C@@H](C)CO)CC2)CC1 ZINC000469847412 1074629645 /nfs/dbraw/zinc/62/96/45/1074629645.db2.gz WUSCPLUAXAZYRS-HNNXBMFYSA-N 0 3 443.570 -0.487 20 0 IBADHN Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)CN2CCCN([C@H](C)CO)CC2)CC1 ZINC000469847413 1074629485 /nfs/dbraw/zinc/62/94/85/1074629485.db2.gz WUSCPLUAXAZYRS-OAHLLOKOSA-N 0 3 443.570 -0.487 20 0 IBADHN CN(C)CCN1C[C@@H](C(=O)NC2CCN(S(=O)(=O)C3CCOCC3)CC2)CC1=O ZINC000469876507 1074630648 /nfs/dbraw/zinc/63/06/48/1074630648.db2.gz VSWCQQBQMGKIAG-HNNXBMFYSA-N 0 3 430.571 -0.514 20 0 IBADHN CN(C)CCN1C[C@H](C(=O)NC2CCN(S(=O)(=O)C3CCOCC3)CC2)CC1=O ZINC000469876508 1074630754 /nfs/dbraw/zinc/63/07/54/1074630754.db2.gz VSWCQQBQMGKIAG-OAHLLOKOSA-N 0 3 430.571 -0.514 20 0 IBADHN CCN1CCN(c2ccc(C(=O)N3CCn4c(nn(CC(=O)N(C)C)c4=O)C3)cc2)CC1 ZINC000469883241 1074631139 /nfs/dbraw/zinc/63/11/39/1074631139.db2.gz HWLLZQYWCKPUQP-UHFFFAOYSA-N 0 3 441.536 -0.069 20 0 IBADHN CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)CCN1CCN(c3ccccc3)CC1)C2 ZINC000469887381 1074631731 /nfs/dbraw/zinc/63/17/31/1074631731.db2.gz FRAUMDMYMFHKRX-UHFFFAOYSA-N 0 3 441.536 -0.313 20 0 IBADHN CCN(CCO)CCNC(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC000470027311 1074639457 /nfs/dbraw/zinc/63/94/57/1074639457.db2.gz JFYWYCBWMZUHQZ-UHFFFAOYSA-N 0 3 428.559 -0.853 20 0 IBADHN C[C@H](CO)N1CCCN(C(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000470045267 1074640101 /nfs/dbraw/zinc/64/01/01/1074640101.db2.gz MIBSLSONRAIBNB-KYJSFNMBSA-N 0 3 429.514 -0.135 20 0 IBADHN C[C@@H](CO)N1CCCN(C(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000470045271 1074640083 /nfs/dbraw/zinc/64/00/83/1074640083.db2.gz MIBSLSONRAIBNB-LESCRADOSA-N 0 3 429.514 -0.135 20 0 IBADHN CCN(CCO)CCNC(=O)NCc1ccccc1CS(=O)(=O)N1CCOCC1 ZINC000470045798 1074639965 /nfs/dbraw/zinc/63/99/65/1074639965.db2.gz WNWFIDWLJUIFLQ-UHFFFAOYSA-N 0 3 428.555 -0.038 20 0 IBADHN C[C@H](CO)N1CCCN(C(=O)CSCC(=O)N2CCCN([C@@H](C)CO)CC2)CC1 ZINC000470047241 1074640015 /nfs/dbraw/zinc/64/00/15/1074640015.db2.gz PPAQFMXQMHTMFE-HDICACEKSA-N 0 3 430.615 -0.450 20 0 IBADHN C[C@H](CO)N1CCCN(C(=O)CSCC(=O)N2CCCN([C@H](C)CO)CC2)CC1 ZINC000470047242 1074640138 /nfs/dbraw/zinc/64/01/38/1074640138.db2.gz PPAQFMXQMHTMFE-QZTJIDSGSA-N 0 3 430.615 -0.450 20 0 IBADHN C[C@@H](CO)N1CCCN(C(=O)CSCC(=O)N2CCCN([C@@H](C)CO)CC2)CC1 ZINC000470047343 1074640058 /nfs/dbraw/zinc/64/00/58/1074640058.db2.gz PPAQFMXQMHTMFE-ROUUACIJSA-N 0 3 430.615 -0.450 20 0 IBADHN CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)N2CCCN([C@H](C)CO)CC2)s1 ZINC000470055766 1074640521 /nfs/dbraw/zinc/64/05/21/1074640521.db2.gz KFMWFSPEHMONRG-CYBMUJFWSA-N 0 3 432.568 -0.422 20 0 IBADHN CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)N2CCCN([C@@H](C)CO)CC2)s1 ZINC000470055767 1074640426 /nfs/dbraw/zinc/64/04/26/1074640426.db2.gz KFMWFSPEHMONRG-ZDUSSCGKSA-N 0 3 432.568 -0.422 20 0 IBADHN CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N2CCCN([C@@H](C)CO)CC2)c1 ZINC000470079863 1074641161 /nfs/dbraw/zinc/64/11/61/1074641161.db2.gz SRWAMMPWYOBDEJ-INIZCTEOSA-N 0 3 428.555 -0.206 20 0 IBADHN CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N2CCCN([C@H](C)CO)CC2)c1 ZINC000470079866 1074641177 /nfs/dbraw/zinc/64/11/77/1074641177.db2.gz SRWAMMPWYOBDEJ-MRXNPFEDSA-N 0 3 428.555 -0.206 20 0 IBADHN NC(=O)c1cc(S(=O)(=O)NCC(=O)N2CCC(OCC[NH+]3CCCC3)CC2)c[n-]1 ZINC000470083733 1074641719 /nfs/dbraw/zinc/64/17/19/1074641719.db2.gz WZEFUXOOPDIPLF-UHFFFAOYSA-N 0 3 427.527 -0.505 20 0 IBADHN C[C@@H](CO)N1CCCN(C(=O)CNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)CC1 ZINC000470088406 1074641632 /nfs/dbraw/zinc/64/16/32/1074641632.db2.gz WKHMSNKOQSIFST-HNNXBMFYSA-N 0 3 426.539 -0.418 20 0 IBADHN C[C@H](CO)N1CCCN(C(=O)CNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)CC1 ZINC000470088407 1074641688 /nfs/dbraw/zinc/64/16/88/1074641688.db2.gz WKHMSNKOQSIFST-OAHLLOKOSA-N 0 3 426.539 -0.418 20 0 IBADHN C[C@H](CO)N1CCCN(C(=O)[C@@H]2CC[C@@H](C(=O)N3CCCN([C@H](C)CO)CC3)O2)CC1 ZINC000470092837 1074641591 /nfs/dbraw/zinc/64/15/91/1074641591.db2.gz MKUPDNXKOQYHGE-ZRNYENFQSA-N 0 3 440.585 -0.636 20 0 IBADHN COc1ccc(S(N)(=O)=O)cc1NC(=O)CN1CCN(C(=O)CN2CCCC2)CC1 ZINC000470188868 1074644822 /nfs/dbraw/zinc/64/48/22/1074644822.db2.gz BHAFASGMKROITB-UHFFFAOYSA-N 0 3 439.538 -0.479 20 0 IBADHN CCN(CCO)CCNC(=O)NCc1ccccc1S(=O)(=O)N1CCN(C)CC1 ZINC000470190350 1074644797 /nfs/dbraw/zinc/64/47/97/1074644797.db2.gz LSIBOMOUPBSHIL-UHFFFAOYSA-N 0 3 427.571 -0.264 20 0 IBADHN CCN(CC)CC(=O)N1CCN(CC(=O)Nc2cc(S(N)(=O)=O)ccc2OC)CC1 ZINC000470203768 1074645928 /nfs/dbraw/zinc/64/59/28/1074645928.db2.gz FFXDOEGBWPXBPS-UHFFFAOYSA-N 0 3 441.554 -0.233 20 0 IBADHN CN(CCN1CCN(C(=O)CN2CCN(S(C)(=O)=O)CC2)CC1)Cc1ccccc1 ZINC000470385241 1074652695 /nfs/dbraw/zinc/65/26/95/1074652695.db2.gz AIZLOXRIVMFKNB-UHFFFAOYSA-N 0 3 437.610 -0.160 20 0 IBADHN NC(=O)c1cc(S(=O)(=O)NCC(=O)NC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)c[n-]1 ZINC000470530614 1074655258 /nfs/dbraw/zinc/65/52/58/1074655258.db2.gz RSAITDUSPRGTFV-IBGZPJMESA-N 0 3 435.506 -0.855 20 0 IBADHN NC(=O)c1cc(S(=O)(=O)NCC(=O)NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c[n-]1 ZINC000470530614 1074655253 /nfs/dbraw/zinc/65/52/53/1074655253.db2.gz RSAITDUSPRGTFV-IBGZPJMESA-N 0 3 435.506 -0.855 20 0 IBADHN NC(=O)c1cc(S(=O)(=O)NCC(=O)NC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)c[n-]1 ZINC000470530615 1074655378 /nfs/dbraw/zinc/65/53/78/1074655378.db2.gz RSAITDUSPRGTFV-LJQANCHMSA-N 0 3 435.506 -0.855 20 0 IBADHN NC(=O)c1cc(S(=O)(=O)NCC(=O)NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c[n-]1 ZINC000470530615 1074655374 /nfs/dbraw/zinc/65/53/74/1074655374.db2.gz RSAITDUSPRGTFV-LJQANCHMSA-N 0 3 435.506 -0.855 20 0 IBADHN CCN(CCO)CCNC(=O)c1cc(S(=O)(=O)N2CCOCC2)cc(OC)c1OC ZINC000470587094 1074656559 /nfs/dbraw/zinc/65/65/59/1074656559.db2.gz FPHMKEWEJMDEFE-UHFFFAOYSA-N 0 3 445.538 -0.231 20 0 IBADHN CCN(CCO)CCNC(=O)c1ccc(S(=O)(=O)N2CCN(C(C)=O)CC2)cc1 ZINC000470588107 1074656632 /nfs/dbraw/zinc/65/66/32/1074656632.db2.gz OMMLMQAGQLKCKO-UHFFFAOYSA-N 0 3 426.539 -0.417 20 0 IBADHN CCN(CCO)CCNC(=O)c1cccc(S(=O)(=O)N2CCN(C(C)=O)CC2)c1 ZINC000470589603 1074656517 /nfs/dbraw/zinc/65/65/17/1074656517.db2.gz AHZIUVFGFRQYQH-UHFFFAOYSA-N 0 3 426.539 -0.417 20 0 IBADHN CCN(CCO)CCNC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000470590796 1074656407 /nfs/dbraw/zinc/65/64/07/1074656407.db2.gz KWBWENUEFZQTLS-UHFFFAOYSA-N 0 3 440.566 -0.270 20 0 IBADHN CCN(CCO)CCNC(=O)Cc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 ZINC000470591958 1074656603 /nfs/dbraw/zinc/65/66/03/1074656603.db2.gz XCFYPUKBODUGHV-UHFFFAOYSA-N 0 3 429.539 -0.311 20 0 IBADHN CCN(CCO)CCNC(=O)c1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1 ZINC000470595160 1074656583 /nfs/dbraw/zinc/65/65/83/1074656583.db2.gz QVDLGIVWUIVYHV-UHFFFAOYSA-N 0 3 428.555 -0.183 20 0 IBADHN COc1ccc(NC(=O)C(=O)N2CCC[N@H+]([C@H](C)CO)CC2)cc1[N-]S(C)(=O)=O ZINC000470941036 1074668370 /nfs/dbraw/zinc/66/83/70/1074668370.db2.gz SBVBDHMXAVBEAL-CYBMUJFWSA-N 0 3 428.511 -0.080 20 0 IBADHN COc1ccc(NC(=O)C(=O)N2CCC[N@@H+]([C@H](C)CO)CC2)cc1[N-]S(C)(=O)=O ZINC000470941036 1074668364 /nfs/dbraw/zinc/66/83/64/1074668364.db2.gz SBVBDHMXAVBEAL-CYBMUJFWSA-N 0 3 428.511 -0.080 20 0 IBADHN COc1ccc(NC(=O)C(=O)N2CCC[N@H+]([C@@H](C)CO)CC2)cc1[N-]S(C)(=O)=O ZINC000470941037 1074668456 /nfs/dbraw/zinc/66/84/56/1074668456.db2.gz SBVBDHMXAVBEAL-ZDUSSCGKSA-N 0 3 428.511 -0.080 20 0 IBADHN COc1ccc(NC(=O)C(=O)N2CCC[N@@H+]([C@@H](C)CO)CC2)cc1[N-]S(C)(=O)=O ZINC000470941037 1074668454 /nfs/dbraw/zinc/66/84/54/1074668454.db2.gz SBVBDHMXAVBEAL-ZDUSSCGKSA-N 0 3 428.511 -0.080 20 0 IBADHN CC(C)[C@H](NCCNS(=O)(=O)c1cnn(C)c1)C(=O)N(C)Cc1nnc2n1CCC2 ZINC000470992434 1074672492 /nfs/dbraw/zinc/67/24/92/1074672492.db2.gz HTWQAEHYVXPRKW-KRWDZBQOSA-N 0 3 438.558 -0.491 20 0 IBADHN CC(C)[C@@H](NCCNS(=O)(=O)c1cnn(C)c1)C(=O)N(C)Cc1nnc2n1CCC2 ZINC000470992435 1074672459 /nfs/dbraw/zinc/67/24/59/1074672459.db2.gz HTWQAEHYVXPRKW-QGZVFWFLSA-N 0 3 438.558 -0.491 20 0 IBADHN CN(C(=O)c1ccc(NC(=O)C(=O)NC[C@@H]2CC[C@@H](C(N)=O)O2)cc1)[C@H]1CCCN(C)C1 ZINC000470997773 1074673519 /nfs/dbraw/zinc/67/35/19/1074673519.db2.gz VEMXESXHUBAGLV-BZSNNMDCSA-N 0 3 445.520 -0.060 20 0 IBADHN CN(C(=O)c1ccc(NC(=O)C(=O)NC[C@H]2CC[C@@H](C(N)=O)O2)cc1)[C@H]1CCCN(C)C1 ZINC000470997779 1074673468 /nfs/dbraw/zinc/67/34/68/1074673468.db2.gz VEMXESXHUBAGLV-KSZLIROESA-N 0 3 445.520 -0.060 20 0 IBADHN CN(C(=O)c1ccc(NC(=O)C(=O)NC[C@@H]2CC[C@H](C(N)=O)O2)cc1)[C@H]1CCCN(C)C1 ZINC000470997781 1074673451 /nfs/dbraw/zinc/67/34/51/1074673451.db2.gz VEMXESXHUBAGLV-OKZBNKHCSA-N 0 3 445.520 -0.060 20 0 IBADHN CN(C(=O)c1ccc(NC(=O)C(=O)NC[C@H]2CC[C@H](C(N)=O)O2)cc1)[C@H]1CCCN(C)C1 ZINC000470997783 1074673576 /nfs/dbraw/zinc/67/35/76/1074673576.db2.gz VEMXESXHUBAGLV-RCCFBDPRSA-N 0 3 445.520 -0.060 20 0 IBADHN C[C@@H]1CN(C(=O)C(=O)Nc2ccc(C(=O)N(C)[C@H]3CCCN(C)C3)cc2)C[C@H](C(N)=O)O1 ZINC000471007572 1074674382 /nfs/dbraw/zinc/67/43/82/1074674382.db2.gz NWUAQUCUDCWPSA-FHLIZLRMSA-N 0 3 445.520 -0.108 20 0 IBADHN C[C@@H]1CN(C(=O)C(=O)Nc2ccc(C(=O)N(C)[C@H]3CCCN(C)C3)cc2)C[C@@H](C(N)=O)O1 ZINC000471007573 1074674432 /nfs/dbraw/zinc/67/44/32/1074674432.db2.gz NWUAQUCUDCWPSA-JLSDUUJJSA-N 0 3 445.520 -0.108 20 0 IBADHN C[C@@H]1CN(C(=O)C(=O)Nc2ccc(C(=O)N(C)[C@@H]3CCCN(C)C3)cc2)C[C@@H](C(N)=O)O1 ZINC000471007574 1074675009 /nfs/dbraw/zinc/67/50/09/1074675009.db2.gz NWUAQUCUDCWPSA-OLMNPRSZSA-N 0 3 445.520 -0.108 20 0 IBADHN C[C@@H]1CN(C(=O)C(=O)Nc2ccc(C(=O)N(C)[C@@H]3CCCN(C)C3)cc2)C[C@H](C(N)=O)O1 ZINC000471007575 1074674959 /nfs/dbraw/zinc/67/49/59/1074674959.db2.gz NWUAQUCUDCWPSA-ZTFGCOKTSA-N 0 3 445.520 -0.108 20 0 IBADHN COCCN1CCCN(C(=O)C(=O)Nc2ccc3oc(=O)n(CCN(C)C)c3c2)CC1=O ZINC000471088257 1074680781 /nfs/dbraw/zinc/68/07/81/1074680781.db2.gz FHIWXAXQZDJXNJ-UHFFFAOYSA-N 0 3 447.492 -0.198 20 0 IBADHN CCN1CCN(c2ccc(C(=O)N3CCN([C@H]4CS(=O)(=O)C[C@@H]4O)CC3)cc2)CC1 ZINC000471323400 1070872472 /nfs/dbraw/zinc/87/24/72/1070872472.db2.gz URKXJWHDXAOEAM-PMACEKPBSA-N 0 3 436.578 -0.256 20 0 IBADHN CCN1CCN(c2ccc(C(=O)N3CCN([C@@H]4CS(=O)(=O)C[C@@H]4O)CC3)cc2)CC1 ZINC000471323401 1070872599 /nfs/dbraw/zinc/87/25/99/1070872599.db2.gz URKXJWHDXAOEAM-UXHICEINSA-N 0 3 436.578 -0.256 20 0 IBADHN CCN1CCN(c2ccc(C(=O)N3CCN([C@H]4CS(=O)(=O)C[C@H]4O)CC3)cc2)CC1 ZINC000471323402 1070872639 /nfs/dbraw/zinc/87/26/39/1070872639.db2.gz URKXJWHDXAOEAM-VQTJNVASSA-N 0 3 436.578 -0.256 20 0 IBADHN CCN1CCN(c2ccc(C(=O)N3CCN([C@@H]4CS(=O)(=O)C[C@H]4O)CC3)cc2)CC1 ZINC000471323403 1070872959 /nfs/dbraw/zinc/87/29/59/1070872959.db2.gz URKXJWHDXAOEAM-WOJBJXKFSA-N 0 3 436.578 -0.256 20 0 IBADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000472092412 1071060077 /nfs/dbraw/zinc/06/00/77/1071060077.db2.gz HBGRKHOANKWAIR-INIZCTEOSA-N 0 3 437.566 -0.437 20 0 IBADHN C[C@H](CCN1CCN(C)CC1)NC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000472092413 1071059919 /nfs/dbraw/zinc/05/99/19/1071059919.db2.gz HBGRKHOANKWAIR-MRXNPFEDSA-N 0 3 437.566 -0.437 20 0 IBADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 ZINC000472098739 1071060843 /nfs/dbraw/zinc/06/08/43/1071060843.db2.gz WOGOCMVJTUFSLG-INIZCTEOSA-N 0 3 437.566 -0.437 20 0 IBADHN C[C@H](CCN1CCN(C)CC1)NC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 ZINC000472098740 1071060722 /nfs/dbraw/zinc/06/07/22/1071060722.db2.gz WOGOCMVJTUFSLG-MRXNPFEDSA-N 0 3 437.566 -0.437 20 0 IBADHN Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)CN2CCC[C@@H](CC(N)=O)C2)CC1 ZINC000472285089 1071160464 /nfs/dbraw/zinc/16/04/64/1071160464.db2.gz WFBKFNTZYHANLQ-HNNXBMFYSA-N 0 3 427.527 -0.288 20 0 IBADHN Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)CN2CCC[C@H](CC(N)=O)C2)CC1 ZINC000472285090 1071160595 /nfs/dbraw/zinc/16/05/95/1071160595.db2.gz WFBKFNTZYHANLQ-OAHLLOKOSA-N 0 3 427.527 -0.288 20 0 IBADHN Cn1cc([C@H]2[C@H](C(=O)NC[C@@H](O)CN3CCc4ccccc4C3)OCC(=O)N2C)cn1 ZINC000472326515 1071228144 /nfs/dbraw/zinc/22/81/44/1071228144.db2.gz MDZRHJZLOMRBJX-HLAWJBBLSA-N 0 3 427.505 -0.146 20 0 IBADHN Cn1cc([C@H]2[C@H](C(=O)NC[C@H](O)CN3CCc4ccccc4C3)OCC(=O)N2C)cn1 ZINC000472326516 1071228297 /nfs/dbraw/zinc/22/82/97/1071228297.db2.gz MDZRHJZLOMRBJX-SESVDKBCSA-N 0 3 427.505 -0.146 20 0 IBADHN CN(C)Cc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)cc1 ZINC000472688588 1071329436 /nfs/dbraw/zinc/32/94/36/1071329436.db2.gz UQMKBXOESADALO-UHFFFAOYSA-N 0 3 445.611 -0.453 20 0 IBADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000472739036 1071330897 /nfs/dbraw/zinc/33/08/97/1071330897.db2.gz NSIAKIFUZZIZPR-INIZCTEOSA-N 0 3 439.582 -0.191 20 0 IBADHN C[C@H](CCN1CCN(C)CC1)NC(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000472739047 1071330972 /nfs/dbraw/zinc/33/09/72/1071330972.db2.gz NSIAKIFUZZIZPR-MRXNPFEDSA-N 0 3 439.582 -0.191 20 0 IBADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000472907032 1071342733 /nfs/dbraw/zinc/34/27/33/1071342733.db2.gz FACGAVXWESSZQJ-INIZCTEOSA-N 0 3 428.559 -0.142 20 0 IBADHN C[C@H](CCN1CCN(C)CC1)NC(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000472907033 1071342903 /nfs/dbraw/zinc/34/29/03/1071342903.db2.gz FACGAVXWESSZQJ-MRXNPFEDSA-N 0 3 428.559 -0.142 20 0 IBADHN Cc1nc(S(=O)(=O)N2CCN(C(=O)N[C@@H](C)CCN3CCN(C)CC3)CC2)cn1C ZINC000472908392 1071342955 /nfs/dbraw/zinc/34/29/55/1071342955.db2.gz OWKXWILMFSCIJD-INIZCTEOSA-N 0 3 441.602 -0.230 20 0 IBADHN Cc1nc(S(=O)(=O)N2CCN(C(=O)N[C@H](C)CCN3CCN(C)CC3)CC2)cn1C ZINC000472908393 1071343484 /nfs/dbraw/zinc/34/34/84/1071343484.db2.gz OWKXWILMFSCIJD-MRXNPFEDSA-N 0 3 441.602 -0.230 20 0 IBADHN COCCCNC(=O)[C@H](C)N1CCN(C(=O)N[C@H](C)CCN2CCN(C)CC2)CC1 ZINC000472912963 1071343366 /nfs/dbraw/zinc/34/33/66/1071343366.db2.gz HYLUAJJZTSOVFZ-MOPGFXCFSA-N 0 3 426.606 -0.119 20 0 IBADHN COCCCNC(=O)[C@H](C)N1CCN(C(=O)N[C@@H](C)CCN2CCN(C)CC2)CC1 ZINC000472912971 1071343508 /nfs/dbraw/zinc/34/35/08/1071343508.db2.gz HYLUAJJZTSOVFZ-OALUTQOASA-N 0 3 426.606 -0.119 20 0 IBADHN COCCCNC(=O)[C@@H](C)N1CCN(C(=O)N[C@@H](C)CCN2CCN(C)CC2)CC1 ZINC000472912972 1071343395 /nfs/dbraw/zinc/34/33/95/1071343395.db2.gz HYLUAJJZTSOVFZ-RBUKOAKNSA-N 0 3 426.606 -0.119 20 0 IBADHN COCCCNC(=O)[C@@H](C)N1CCN(C(=O)N[C@H](C)CCN2CCN(C)CC2)CC1 ZINC000472912973 1071343277 /nfs/dbraw/zinc/34/32/77/1071343277.db2.gz HYLUAJJZTSOVFZ-RTBURBONSA-N 0 3 426.606 -0.119 20 0 IBADHN CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)N[C@@H](C)CCN2CCN(C)CC2)c1 ZINC000472915686 1071344115 /nfs/dbraw/zinc/34/41/15/1071344115.db2.gz SNFRRMPUDMZAEP-HNNXBMFYSA-N 0 3 440.570 -0.142 20 0 IBADHN CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)N[C@H](C)CCN2CCN(C)CC2)c1 ZINC000472915687 1071344048 /nfs/dbraw/zinc/34/40/48/1071344048.db2.gz SNFRRMPUDMZAEP-OAHLLOKOSA-N 0 3 440.570 -0.142 20 0 IBADHN C[C@H](CNC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1)CN1CCN(C)CC1 ZINC000473210822 1071463497 /nfs/dbraw/zinc/46/34/97/1071463497.db2.gz WOEYHWVHIWLFRL-SUMDDJOVSA-N 0 3 442.557 -0.051 20 0 IBADHN C[C@@H](CNC(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1)CN1CCN(C)CC1 ZINC000473210823 1071463576 /nfs/dbraw/zinc/46/35/76/1071463576.db2.gz WOEYHWVHIWLFRL-WDYCEAGBSA-N 0 3 442.557 -0.051 20 0 IBADHN COCCNC(=O)c1c[nH]nc1[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(CCN(C)C)C2)C1 ZINC000473270291 1071528628 /nfs/dbraw/zinc/52/86/28/1071528628.db2.gz PEJOPJUWLZXVJR-CVEARBPZSA-N 0 3 434.541 -0.098 20 0 IBADHN COCCNC(=O)c1c[nH]nc1[C@H]1CCCN(C(=O)[C@H]2CC(=O)N(CCN(C)C)C2)C1 ZINC000473270292 1071528513 /nfs/dbraw/zinc/52/85/13/1071528513.db2.gz PEJOPJUWLZXVJR-HOTGVXAUSA-N 0 3 434.541 -0.098 20 0 IBADHN COCCNC(=O)c1c[nH]nc1[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)C1 ZINC000473270293 1071528834 /nfs/dbraw/zinc/52/88/34/1071528834.db2.gz PEJOPJUWLZXVJR-HZPDHXFCSA-N 0 3 434.541 -0.098 20 0 IBADHN COCCNC(=O)c1c[nH]nc1[C@H]1CCCN(C(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)C1 ZINC000473270294 1071528752 /nfs/dbraw/zinc/52/87/52/1071528752.db2.gz PEJOPJUWLZXVJR-JKSUJKDBSA-N 0 3 434.541 -0.098 20 0 IBADHN CN(C)CCn1c2cc(NC(=O)C(=O)NCc3nnnn3CC3CC3)ccc2oc1=O ZINC000473355124 1071536300 /nfs/dbraw/zinc/53/63/00/1071536300.db2.gz HLQVRWVNWRZBPI-UHFFFAOYSA-N 0 3 428.453 -0.193 20 0 IBADHN CCN1CCN(c2cccc(NC(=O)C(=O)NC[C@@](C)(O)CN3CCOCC3)c2)CC1 ZINC000473362617 1071537033 /nfs/dbraw/zinc/53/70/33/1071537033.db2.gz QQMQJZQWRQJUSP-JOCHJYFZSA-N 0 3 433.553 -0.034 20 0 IBADHN CCN1CCN(c2cccc(NC(=O)C(=O)NC[C@](C)(O)CN3CCOCC3)c2)CC1 ZINC000473362618 1071536878 /nfs/dbraw/zinc/53/68/78/1071536878.db2.gz QQMQJZQWRQJUSP-QFIPXVFZSA-N 0 3 433.553 -0.034 20 0 IBADHN CCN1CCN(c2cccc(NC(=O)C(=O)NCC(=O)N3CCC[C@@H]3C(=O)NC)c2)CC1 ZINC000473371505 1071537521 /nfs/dbraw/zinc/53/75/21/1071537521.db2.gz UPHPEQXLEXFFLW-GOSISDBHSA-N 0 3 444.536 -0.380 20 0 IBADHN CCN1CCN(c2cccc(NC(=O)C(=O)NCC(=O)N3CCC[C@H]3C(=O)NC)c2)CC1 ZINC000473371506 1071537548 /nfs/dbraw/zinc/53/75/48/1071537548.db2.gz UPHPEQXLEXFFLW-SFHVURJKSA-N 0 3 444.536 -0.380 20 0 IBADHN CN(C)Cc1cccc(NC(=O)C(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)c1 ZINC000473373230 1071538070 /nfs/dbraw/zinc/53/80/70/1071538070.db2.gz LVAJYOHSUCOVIF-UHFFFAOYSA-N 0 3 429.477 -0.494 20 0 IBADHN CCN1CCN(c2cccc(NC(=O)C(=O)NCc3cn(CC(=O)OC)nn3)c2)CC1 ZINC000473420928 1071544094 /nfs/dbraw/zinc/54/40/94/1071544094.db2.gz OCLTXPQHODBEFY-UHFFFAOYSA-N 0 3 429.481 -0.152 20 0 IBADHN CN(C)C(=O)CCN1CCN(C(=O)C(=O)Nc2cccc(CN3CCN(C)CC3)c2)CC1 ZINC000473435836 1071544909 /nfs/dbraw/zinc/54/49/09/1071544909.db2.gz SOWPRYZSSPDWLO-UHFFFAOYSA-N 0 3 444.580 -0.005 20 0 IBADHN CNS(=O)(=O)c1cccc(NC(=O)C(=O)N[C@@H](C)CCN2CCN(C)CC2)c1C ZINC000473484312 1071573131 /nfs/dbraw/zinc/57/31/31/1071573131.db2.gz XBAMBSBWILKSBN-AWEZNQCLSA-N 0 3 425.555 -0.016 20 0 IBADHN CNS(=O)(=O)c1cccc(NC(=O)C(=O)N[C@H](C)CCN2CCN(C)CC2)c1C ZINC000473484313 1071572761 /nfs/dbraw/zinc/57/27/61/1071572761.db2.gz XBAMBSBWILKSBN-CQSZACIVSA-N 0 3 425.555 -0.016 20 0 IBADHN CNS(=O)(=O)c1ccc(C)c(NC(=O)C(=O)N[C@@H](C)CCN2CCN(C)CC2)c1 ZINC000473485925 1071577004 /nfs/dbraw/zinc/57/70/04/1071577004.db2.gz BUSZEZCYWWGDSR-HNNXBMFYSA-N 0 3 425.555 -0.016 20 0 IBADHN CNS(=O)(=O)c1ccc(C)c(NC(=O)C(=O)N[C@H](C)CCN2CCN(C)CC2)c1 ZINC000473485926 1071576815 /nfs/dbraw/zinc/57/68/15/1071576815.db2.gz BUSZEZCYWWGDSR-OAHLLOKOSA-N 0 3 425.555 -0.016 20 0 IBADHN CCc1ccc(NC(=O)C(=O)N[C@@H](C)CCN2CCN(C)CC2)cc1S(N)(=O)=O ZINC000473490382 1071587839 /nfs/dbraw/zinc/58/78/39/1071587839.db2.gz OMWSHBAHJJHQGC-AWEZNQCLSA-N 0 3 425.555 -0.023 20 0 IBADHN CCc1ccc(NC(=O)C(=O)N[C@H](C)CCN2CCN(C)CC2)cc1S(N)(=O)=O ZINC000473490384 1071587740 /nfs/dbraw/zinc/58/77/40/1071587740.db2.gz OMWSHBAHJJHQGC-CQSZACIVSA-N 0 3 425.555 -0.023 20 0 IBADHN CNS(=O)(=O)c1cc(NC(=O)C(=O)N[C@@H](C)CCN2CCN(C)CC2)ccc1C ZINC000473491087 1071590550 /nfs/dbraw/zinc/59/05/50/1071590550.db2.gz QABMPVNMCDYPRJ-HNNXBMFYSA-N 0 3 425.555 -0.016 20 0 IBADHN CNS(=O)(=O)c1cc(NC(=O)C(=O)N[C@H](C)CCN2CCN(C)CC2)ccc1C ZINC000473491088 1071590568 /nfs/dbraw/zinc/59/05/68/1071590568.db2.gz QABMPVNMCDYPRJ-OAHLLOKOSA-N 0 3 425.555 -0.016 20 0 IBADHN CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)N[C@@H](C)CCN1CCN(C)CC1)CC2 ZINC000473493621 1071590666 /nfs/dbraw/zinc/59/06/66/1071590666.db2.gz VJGNIKGSKWWIBR-HNNXBMFYSA-N 0 3 437.566 -0.374 20 0 IBADHN CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)N[C@H](C)CCN1CCN(C)CC1)CC2 ZINC000473493622 1071590606 /nfs/dbraw/zinc/59/06/06/1071590606.db2.gz VJGNIKGSKWWIBR-OAHLLOKOSA-N 0 3 437.566 -0.374 20 0 IBADHN CC(C)[C@H](NC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1)C(=O)N(C)Cc1nnc2n1CCC2 ZINC000473580736 1071965313 /nfs/dbraw/zinc/96/53/13/1071965313.db2.gz DIAJKSSZOWLYQW-BEFAXECRSA-N 0 3 433.557 -0.266 20 0 IBADHN CC(C)[C@@H](NC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1)C(=O)N(C)Cc1nnc2n1CCC2 ZINC000473580737 1071965746 /nfs/dbraw/zinc/96/57/46/1071965746.db2.gz DIAJKSSZOWLYQW-DNVCBOLYSA-N 0 3 433.557 -0.266 20 0 IBADHN CC(C)[C@@H](NC(=O)[C@H]1CC(=O)N(CCN(C)C)C1)C(=O)N(C)Cc1nnc2n1CCC2 ZINC000473580738 1071965905 /nfs/dbraw/zinc/96/59/05/1071965905.db2.gz DIAJKSSZOWLYQW-HNAYVOBHSA-N 0 3 433.557 -0.266 20 0 IBADHN CC(C)[C@H](NC(=O)[C@H]1CC(=O)N(CCN(C)C)C1)C(=O)N(C)Cc1nnc2n1CCC2 ZINC000473580739 1071965720 /nfs/dbraw/zinc/96/57/20/1071965720.db2.gz DIAJKSSZOWLYQW-KXBFYZLASA-N 0 3 433.557 -0.266 20 0 IBADHN CN(C)C(=O)CCN1CCN(C(=O)NCCCN2CCN(c3ncccn3)CC2)CC1 ZINC000473873144 1072225146 /nfs/dbraw/zinc/22/51/46/1072225146.db2.gz FTBGFTSJRXMZMZ-UHFFFAOYSA-N 0 3 432.573 -0.206 20 0 IBADHN C[C@H](CCN1CCN(C)CC1)NC(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 ZINC000473939757 1072279242 /nfs/dbraw/zinc/27/92/42/1072279242.db2.gz KDOYWPUBKDKTKE-GOSISDBHSA-N 0 3 432.573 -0.160 20 0 IBADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 ZINC000473939758 1072279141 /nfs/dbraw/zinc/27/91/41/1072279141.db2.gz KDOYWPUBKDKTKE-SFHVURJKSA-N 0 3 432.573 -0.160 20 0 IBADHN CCN1CCN([C@@H](C)CNC(=O)CNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)CC1 ZINC000474063787 1072502288 /nfs/dbraw/zinc/50/22/88/1072502288.db2.gz CHFXZLCPBONAOT-INIZCTEOSA-N 0 3 439.582 -0.191 20 0 IBADHN CCN1CCN([C@H](C)CNC(=O)CNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)CC1 ZINC000474063794 1072502334 /nfs/dbraw/zinc/50/23/34/1072502334.db2.gz CHFXZLCPBONAOT-MRXNPFEDSA-N 0 3 439.582 -0.191 20 0 IBADHN C[C@@H](CNC(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)CN1CCN(C)CC1 ZINC000474072299 1072503356 /nfs/dbraw/zinc/50/33/56/1072503356.db2.gz JJNLWLCYDSLNOG-INIZCTEOSA-N 0 3 439.582 -0.334 20 0 IBADHN C[C@H](CNC(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)CN1CCN(C)CC1 ZINC000474072301 1072503444 /nfs/dbraw/zinc/50/34/44/1072503444.db2.gz JJNLWLCYDSLNOG-MRXNPFEDSA-N 0 3 439.582 -0.334 20 0 IBADHN CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)N(C)CCCN2CCN(C)CC2)c1 ZINC000474073436 1072503586 /nfs/dbraw/zinc/50/35/86/1072503586.db2.gz MDUWHTJFKQPYSY-UHFFFAOYSA-N 0 3 439.582 -0.237 20 0 IBADHN COCCNC(=O)Cn1cc(NC(=O)C(=O)NCC2(N(C)C)Cc3ccccc3C2)cn1 ZINC000474580688 1072539593 /nfs/dbraw/zinc/53/95/93/1072539593.db2.gz KMPZRUAJMJICEF-UHFFFAOYSA-N 0 3 442.520 -0.200 20 0 IBADHN C[C@H](CCN1CCN(C)CC1)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1 ZINC000474786636 1072547160 /nfs/dbraw/zinc/54/71/60/1072547160.db2.gz AXLVZUHYVHNUNJ-CABCVRRESA-N 0 3 425.555 -0.406 20 0 IBADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)[C@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1 ZINC000474786637 1072547377 /nfs/dbraw/zinc/54/73/77/1072547377.db2.gz AXLVZUHYVHNUNJ-GJZGRUSLSA-N 0 3 425.555 -0.406 20 0 IBADHN C[C@H](CCN1CCN(C)CC1)NC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1 ZINC000474786638 1072547313 /nfs/dbraw/zinc/54/73/13/1072547313.db2.gz AXLVZUHYVHNUNJ-HUUCEWRRSA-N 0 3 425.555 -0.406 20 0 IBADHN C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N[C@@H](C)CCN1CCN(C)CC1 ZINC000474786639 1072547271 /nfs/dbraw/zinc/54/72/71/1072547271.db2.gz AXLVZUHYVHNUNJ-LSDHHAIUSA-N 0 3 425.555 -0.406 20 0 IBADHN C[C@H](CCN1CCN(C)CC1)NC(=O)[C@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 ZINC000474795243 1072546539 /nfs/dbraw/zinc/54/65/39/1072546539.db2.gz NKBPNBQXXCEWRI-CVEARBPZSA-N 0 3 437.566 -0.171 20 0 IBADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)[C@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 ZINC000474795244 1072546484 /nfs/dbraw/zinc/54/64/84/1072546484.db2.gz NKBPNBQXXCEWRI-HOTGVXAUSA-N 0 3 437.566 -0.171 20 0 IBADHN C[C@H](CCN1CCN(C)CC1)NC(=O)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 ZINC000474795245 1072546405 /nfs/dbraw/zinc/54/64/05/1072546405.db2.gz NKBPNBQXXCEWRI-HZPDHXFCSA-N 0 3 437.566 -0.171 20 0 IBADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)[C@@H]1CC(=O)N(c2cccc(S(N)(=O)=O)c2)C1 ZINC000474795246 1072546615 /nfs/dbraw/zinc/54/66/15/1072546615.db2.gz NKBPNBQXXCEWRI-JKSUJKDBSA-N 0 3 437.566 -0.171 20 0 IBADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)c1cc(S(N)(=O)=O)ccc1N1CCOCC1 ZINC000474798614 1072546687 /nfs/dbraw/zinc/54/66/87/1072546687.db2.gz YXZNQMWDGMVJCX-INIZCTEOSA-N 0 3 439.582 -0.074 20 0 IBADHN C[C@H](CCN1CCN(C)CC1)NC(=O)c1cc(S(N)(=O)=O)ccc1N1CCOCC1 ZINC000474798616 1072547224 /nfs/dbraw/zinc/54/72/24/1072547224.db2.gz YXZNQMWDGMVJCX-MRXNPFEDSA-N 0 3 439.582 -0.074 20 0 IBADHN C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NC(C)(C)CCN1CCN(C)CC1 ZINC000474803707 1072547809 /nfs/dbraw/zinc/54/78/09/1072547809.db2.gz GEYWGVLRPMHWJE-HNNXBMFYSA-N 0 3 439.582 -0.015 20 0 IBADHN C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NC(C)(C)CCN1CCN(C)CC1 ZINC000474803708 1072547680 /nfs/dbraw/zinc/54/76/80/1072547680.db2.gz GEYWGVLRPMHWJE-OAHLLOKOSA-N 0 3 439.582 -0.015 20 0 IBADHN CN1CCN(CCC(C)(C)NC(=O)Cn2c3ccc(S(N)(=O)=O)cc3oc2=O)CC1 ZINC000474804673 1072547912 /nfs/dbraw/zinc/54/79/12/1072547912.db2.gz QGHMABOWGHUPIS-UHFFFAOYSA-N 0 3 439.538 -0.226 20 0 IBADHN COC(=O)C1CCN(CCCNC(=O)[C@@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)CC1 ZINC000474907336 1072550473 /nfs/dbraw/zinc/55/04/73/1072550473.db2.gz SQEXPNGNLZLVKV-FQEVSTJZSA-N 0 3 438.525 -0.007 20 0 IBADHN COC(=O)C1CCN(CCCNC(=O)[C@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)CC1 ZINC000474907337 1072550978 /nfs/dbraw/zinc/55/09/78/1072550978.db2.gz SQEXPNGNLZLVKV-HXUWFJFHSA-N 0 3 438.525 -0.007 20 0 IBADHN CN(C)[C@@H](CNC(=O)CN1CCN(S(=O)(=O)N2CCOCC2)CC1)c1ccccc1 ZINC000475032988 1072561143 /nfs/dbraw/zinc/56/11/43/1072561143.db2.gz RATLAFMNKVHLNB-IBGZPJMESA-N 0 3 439.582 -0.400 20 0 IBADHN CN(C)[C@H](CNC(=O)CN1CCN(S(=O)(=O)N2CCOCC2)CC1)c1ccccc1 ZINC000475033001 1072561128 /nfs/dbraw/zinc/56/11/28/1072561128.db2.gz RATLAFMNKVHLNB-LJQANCHMSA-N 0 3 439.582 -0.400 20 0 IBADHN CN(C)[C@H](CNC(=O)CN1CCN(C(=O)CN2C(=O)CCC2=O)CC1)c1ccccc1 ZINC000475039029 1072561846 /nfs/dbraw/zinc/56/18/46/1072561846.db2.gz NBKXSMRUWUXXAU-GOSISDBHSA-N 0 3 429.521 -0.301 20 0 IBADHN CN(C)[C@@H](CNC(=O)CN1CCN(C(=O)CN2C(=O)CCC2=O)CC1)c1ccccc1 ZINC000475039030 1072561960 /nfs/dbraw/zinc/56/19/60/1072561960.db2.gz NBKXSMRUWUXXAU-SFHVURJKSA-N 0 3 429.521 -0.301 20 0 IBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000475122743 1072591590 /nfs/dbraw/zinc/59/15/90/1072591590.db2.gz SYKZRHKCOHZQFW-GOSISDBHSA-N 0 3 438.573 -0.885 20 0 IBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000475122744 1072591569 /nfs/dbraw/zinc/59/15/69/1072591569.db2.gz SYKZRHKCOHZQFW-SFHVURJKSA-N 0 3 438.573 -0.885 20 0 IBADHN CN(C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 ZINC000475145806 1072592224 /nfs/dbraw/zinc/59/22/24/1072592224.db2.gz MLAYHAZSZZWIAA-GOSISDBHSA-N 0 3 442.520 -0.031 20 0 IBADHN CN(C)C[C@H](Cc1ccccc1)NC(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 ZINC000475145807 1072592118 /nfs/dbraw/zinc/59/21/18/1072592118.db2.gz MLAYHAZSZZWIAA-SFHVURJKSA-N 0 3 442.520 -0.031 20 0 IBADHN CCN(CCO)CCNC(=O)C(=O)Nc1ccc(S(=O)(=O)NC2CCOCC2)cc1 ZINC000475177980 1072595613 /nfs/dbraw/zinc/59/56/13/1072595613.db2.gz PWTZDWAYJGBDQP-UHFFFAOYSA-N 0 3 442.538 -0.487 20 0 IBADHN COc1ncc(NC(=O)C(=O)NC[C@@H](O)CN2CCc3ccccc3C2)cc1C(N)=O ZINC000475187044 1072595500 /nfs/dbraw/zinc/59/55/00/1072595500.db2.gz VYIRQUCDJXBAIL-MRXNPFEDSA-N 0 3 427.461 -0.337 20 0 IBADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 ZINC000475242749 1072598373 /nfs/dbraw/zinc/59/83/73/1072598373.db2.gz STKQNKMBIPHZCN-KRWDZBQOSA-N 0 3 436.513 -0.750 20 0 IBADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 ZINC000475242750 1072598258 /nfs/dbraw/zinc/59/82/58/1072598258.db2.gz STKQNKMBIPHZCN-QGZVFWFLSA-N 0 3 436.513 -0.750 20 0 IBADHN COCCN(CCN(C)C)C(=O)C(=O)Nc1cnn(CC(=O)N2C[C@H](C)O[C@@H](C)C2)c1 ZINC000475260258 1072602400 /nfs/dbraw/zinc/60/24/00/1072602400.db2.gz PZNFHGKVEVARPS-HOTGVXAUSA-N 0 3 438.529 -0.506 20 0 IBADHN COCCN(CCN(C)C)C(=O)C(=O)Nc1cnn(CC(=O)N2C[C@@H](C)O[C@H](C)C2)c1 ZINC000475260259 1072602238 /nfs/dbraw/zinc/60/22/38/1072602238.db2.gz PZNFHGKVEVARPS-HZPDHXFCSA-N 0 3 438.529 -0.506 20 0 IBADHN COCCN(CCN(C)C)C(=O)C(=O)Nc1cnn(CC(=O)N2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000475260260 1072602460 /nfs/dbraw/zinc/60/24/60/1072602460.db2.gz PZNFHGKVEVARPS-IYBDPMFKSA-N 0 3 438.529 -0.506 20 0 IBADHN CN(C)[C@H](CNC(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1)Cc1ccccc1 ZINC000475384262 1072606989 /nfs/dbraw/zinc/60/69/89/1072606989.db2.gz SDKRXZDMHRGTND-IBGZPJMESA-N 0 3 442.520 -0.031 20 0 IBADHN CN(C)[C@@H](CNC(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1)Cc1ccccc1 ZINC000475384263 1072606966 /nfs/dbraw/zinc/60/69/66/1072606966.db2.gz SDKRXZDMHRGTND-LJQANCHMSA-N 0 3 442.520 -0.031 20 0 IBADHN COCCC(=O)N1CCN(C(=O)C(=O)Nc2ccc3oc(=O)n(CCN(C)C)c3c2)CC1 ZINC000475432482 1072610501 /nfs/dbraw/zinc/61/05/01/1072610501.db2.gz RMKDMHOYHJVASY-UHFFFAOYSA-N 0 3 447.492 -0.198 20 0 IBADHN CC(C)N1C(=O)C[C@@H](NC(=O)C(=O)Nc2ccc3oc(=O)n(CCN(C)C)c3c2)C1=O ZINC000475452726 1072614794 /nfs/dbraw/zinc/61/47/94/1072614794.db2.gz KEYHQCKCHVTCRR-CYBMUJFWSA-N 0 3 431.449 -0.253 20 0 IBADHN CC(C)N1C(=O)C[C@H](NC(=O)C(=O)Nc2ccc3oc(=O)n(CCN(C)C)c3c2)C1=O ZINC000475452727 1072614807 /nfs/dbraw/zinc/61/48/07/1072614807.db2.gz KEYHQCKCHVTCRR-ZDUSSCGKSA-N 0 3 431.449 -0.253 20 0 IBADHN CC(C)N1C(=O)C[C@H](NC(=O)C(=O)Nc2cccc(CN3CCC(C(N)=O)CC3)c2)C1=O ZINC000475456905 1072615625 /nfs/dbraw/zinc/61/56/25/1072615625.db2.gz FLGVBKPPAYKXPF-KRWDZBQOSA-N 0 3 443.504 -0.026 20 0 IBADHN CC(C)N1C(=O)C[C@@H](NC(=O)C(=O)Nc2cccc(CN3CCC(C(N)=O)CC3)c2)C1=O ZINC000475456906 1072615601 /nfs/dbraw/zinc/61/56/01/1072615601.db2.gz FLGVBKPPAYKXPF-QGZVFWFLSA-N 0 3 443.504 -0.026 20 0 IBADHN CCN(CC)CC(=O)N1CCN(C(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)CC1 ZINC000475553284 1072625774 /nfs/dbraw/zinc/62/57/74/1072625774.db2.gz UBXRYYOTJSASFF-UHFFFAOYSA-N 0 3 435.529 -0.240 20 0 IBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 ZINC000475554315 1072626264 /nfs/dbraw/zinc/62/62/64/1072626264.db2.gz XRDNONXLDWVQPF-KRWDZBQOSA-N 0 3 435.529 -0.194 20 0 IBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 ZINC000475554319 1072626337 /nfs/dbraw/zinc/62/63/37/1072626337.db2.gz XRDNONXLDWVQPF-QGZVFWFLSA-N 0 3 435.529 -0.194 20 0 IBADHN O=C(Cn1cc(NC(=O)N2CCN(C(=O)CN3CCCC3)CC2)cn1)N1CCOCC1 ZINC000475589189 1072631261 /nfs/dbraw/zinc/63/12/61/1072631261.db2.gz ZKILJHOAPPFOFP-UHFFFAOYSA-N 0 3 433.513 -0.486 20 0 IBADHN CCN(CC)CC(=O)N1CCN(C(=O)[C@@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)CC1 ZINC000475640468 1072721141 /nfs/dbraw/zinc/72/11/41/1072721141.db2.gz RMVKQCXLUCGOQT-FQEVSTJZSA-N 0 3 437.541 -0.385 20 0 IBADHN CCN(CC)CC(=O)N1CCN(C(=O)[C@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)CC1 ZINC000475640470 1072721110 /nfs/dbraw/zinc/72/11/10/1072721110.db2.gz RMVKQCXLUCGOQT-HXUWFJFHSA-N 0 3 437.541 -0.385 20 0 IBADHN C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000475656758 1072822901 /nfs/dbraw/zinc/82/29/01/1072822901.db2.gz PSERXYZAYFHSNJ-FQEVSTJZSA-N 0 3 435.525 -0.631 20 0 IBADHN C[C@@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000475656760 1072823161 /nfs/dbraw/zinc/82/31/61/1072823161.db2.gz PSERXYZAYFHSNJ-HXUWFJFHSA-N 0 3 435.525 -0.631 20 0 IBADHN CN(C)CCN(Cc1ccco1)C(=O)C(=O)Nc1cnn(CC(=O)N2CCOCC2)c1 ZINC000475685104 1072849037 /nfs/dbraw/zinc/84/90/37/1072849037.db2.gz GPWYRNBKODLVEK-UHFFFAOYSA-N 0 3 432.481 -0.136 20 0 IBADHN CC(C)OCCS(=O)(=O)N1CCN(C(=O)NC[C@@H](C)CN2CCN(C)CC2)CC1 ZINC000476022207 1072968413 /nfs/dbraw/zinc/96/84/13/1072968413.db2.gz RDQTUMPXPOCUHL-GOSISDBHSA-N 0 3 433.619 -0.048 20 0 IBADHN CC(C)OCCS(=O)(=O)N1CCN(C(=O)NC[C@H](C)CN2CCN(C)CC2)CC1 ZINC000476022211 1072968343 /nfs/dbraw/zinc/96/83/43/1072968343.db2.gz RDQTUMPXPOCUHL-SFHVURJKSA-N 0 3 433.619 -0.048 20 0 IBADHN COCCN1CCC[C@H]1CNC(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 ZINC000476298670 1072998583 /nfs/dbraw/zinc/99/85/83/1072998583.db2.gz WRDCLKHXRKQTHB-AWEZNQCLSA-N 0 3 443.526 -0.495 20 0 IBADHN COCCN1CCC[C@@H]1CNC(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 ZINC000476298676 1072998642 /nfs/dbraw/zinc/99/86/42/1072998642.db2.gz WRDCLKHXRKQTHB-CQSZACIVSA-N 0 3 443.526 -0.495 20 0 IBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)CC1 ZINC000476392759 1073006300 /nfs/dbraw/zinc/00/63/00/1073006300.db2.gz OMTXDPDOPCNPKG-FOIQADDNSA-N 0 3 435.525 -0.633 20 0 IBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)[C@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)CC1 ZINC000476392760 1073006809 /nfs/dbraw/zinc/00/68/09/1073006809.db2.gz OMTXDPDOPCNPKG-MGPUTAFESA-N 0 3 435.525 -0.633 20 0 IBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)CC1 ZINC000476392761 1073006707 /nfs/dbraw/zinc/00/67/07/1073006707.db2.gz OMTXDPDOPCNPKG-QRWLVFNGSA-N 0 3 435.525 -0.633 20 0 IBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@](C)(O)CN2C(=O)NC3(CCCC3)C2=O)CC1 ZINC000476392763 1073006616 /nfs/dbraw/zinc/00/66/16/1073006616.db2.gz OMTXDPDOPCNPKG-YWZLYKJASA-N 0 3 435.525 -0.633 20 0 IBADHN CCN1CCN(CCCNC(=O)[C@H](C)NS(=O)(=O)c2ccc(C(N)=O)cc2)CC1 ZINC000476416795 1073009108 /nfs/dbraw/zinc/00/91/08/1073009108.db2.gz SMDGHTUFAGQHKN-HNNXBMFYSA-N 0 3 425.555 -0.404 20 0 IBADHN CCN1CCN(CCCNC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C(N)=O)cc2)CC1 ZINC000476416796 1073009278 /nfs/dbraw/zinc/00/92/78/1073009278.db2.gz SMDGHTUFAGQHKN-OAHLLOKOSA-N 0 3 425.555 -0.404 20 0 IBADHN C[C@H](CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1)CN1CCN(C)CC1 ZINC000476425009 1073011167 /nfs/dbraw/zinc/01/11/67/1073011167.db2.gz ASZUUAIIBXBOLL-CABCVRRESA-N 0 3 425.555 -0.548 20 0 IBADHN C[C@@H](CNC(=O)[C@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1)CN1CCN(C)CC1 ZINC000476425010 1073011442 /nfs/dbraw/zinc/01/14/42/1073011442.db2.gz ASZUUAIIBXBOLL-GJZGRUSLSA-N 0 3 425.555 -0.548 20 0 IBADHN C[C@H](CNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(C(N)=O)cc1)CN1CCN(C)CC1 ZINC000476425011 1073011378 /nfs/dbraw/zinc/01/13/78/1073011378.db2.gz ASZUUAIIBXBOLL-HUUCEWRRSA-N 0 3 425.555 -0.548 20 0 IBADHN C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000476425013 1073011262 /nfs/dbraw/zinc/01/12/62/1073011262.db2.gz ASZUUAIIBXBOLL-LSDHHAIUSA-N 0 3 425.555 -0.548 20 0 IBADHN C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N(C)CCCN1CCN(C)CC1 ZINC000476429140 1073010497 /nfs/dbraw/zinc/01/04/97/1073010497.db2.gz PAVKGEUAXYLIIA-HNNXBMFYSA-N 0 3 425.555 -0.452 20 0 IBADHN C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N(C)CCCN1CCN(C)CC1 ZINC000476429148 1073010244 /nfs/dbraw/zinc/01/02/44/1073010244.db2.gz PAVKGEUAXYLIIA-OAHLLOKOSA-N 0 3 425.555 -0.452 20 0 IBADHN CCN1CCN(C[C@H](C)CNC(=O)[C@H](C)NS(=O)(=O)c2ccc(C(N)=O)cc2)CC1 ZINC000476431489 1073011292 /nfs/dbraw/zinc/01/12/92/1073011292.db2.gz QRVAHRUFLOTHJT-CVEARBPZSA-N 0 3 439.582 -0.158 20 0 IBADHN CCN1CCN(C[C@@H](C)CNC(=O)[C@H](C)NS(=O)(=O)c2ccc(C(N)=O)cc2)CC1 ZINC000476431491 1073011139 /nfs/dbraw/zinc/01/11/39/1073011139.db2.gz QRVAHRUFLOTHJT-HOTGVXAUSA-N 0 3 439.582 -0.158 20 0 IBADHN CCN1CCN(C[C@H](C)CNC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C(N)=O)cc2)CC1 ZINC000476431493 1073011800 /nfs/dbraw/zinc/01/18/00/1073011800.db2.gz QRVAHRUFLOTHJT-HZPDHXFCSA-N 0 3 439.582 -0.158 20 0 IBADHN CCN1CCN(C[C@@H](C)CNC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C(N)=O)cc2)CC1 ZINC000476431495 1073012144 /nfs/dbraw/zinc/01/21/44/1073012144.db2.gz QRVAHRUFLOTHJT-JKSUJKDBSA-N 0 3 439.582 -0.158 20 0 IBADHN CC(C)OCCN1CCC(NC(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)CC1 ZINC000476432913 1073012092 /nfs/dbraw/zinc/01/20/92/1073012092.db2.gz IOJBODQWZJYMJH-UHFFFAOYSA-N 0 3 439.557 -0.412 20 0 IBADHN CC(C)OCCN1CCC(NC(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)CC1 ZINC000476436997 1073014654 /nfs/dbraw/zinc/01/46/54/1073014654.db2.gz PNELNMCISKNGRY-UHFFFAOYSA-N 0 3 437.541 -0.121 20 0 IBADHN CC(C)OCCN1CCC(NC(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)CC1 ZINC000476446697 1073014525 /nfs/dbraw/zinc/01/45/25/1073014525.db2.gz HGWJNIKOWHLNEQ-UHFFFAOYSA-N 0 3 447.602 -0.220 20 0 IBADHN CCN1CCN([C@H](C)CNC(=O)[C@H](C)NS(=O)(=O)c2ccc(C(N)=O)cc2)CC1 ZINC000476716164 1073047439 /nfs/dbraw/zinc/04/74/39/1073047439.db2.gz MVQDTMRCFGWKNS-CABCVRRESA-N 0 3 425.555 -0.406 20 0 IBADHN CCN1CCN([C@@H](C)CNC(=O)[C@H](C)NS(=O)(=O)c2ccc(C(N)=O)cc2)CC1 ZINC000476716166 1073047556 /nfs/dbraw/zinc/04/75/56/1073047556.db2.gz MVQDTMRCFGWKNS-GJZGRUSLSA-N 0 3 425.555 -0.406 20 0 IBADHN CCN1CCN([C@H](C)CNC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C(N)=O)cc2)CC1 ZINC000476716167 1073047487 /nfs/dbraw/zinc/04/74/87/1073047487.db2.gz MVQDTMRCFGWKNS-HUUCEWRRSA-N 0 3 425.555 -0.406 20 0 IBADHN CCN1CCN([C@@H](C)CNC(=O)[C@@H](C)NS(=O)(=O)c2ccc(C(N)=O)cc2)CC1 ZINC000476716170 1073047644 /nfs/dbraw/zinc/04/76/44/1073047644.db2.gz MVQDTMRCFGWKNS-LSDHHAIUSA-N 0 3 425.555 -0.406 20 0 IBADHN O=C(CN1CCCC1)N1CCN(C(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)CC1 ZINC000476994266 1073075117 /nfs/dbraw/zinc/07/51/17/1073075117.db2.gz XOOSAFQRCOOHPE-KRWDZBQOSA-N 0 3 445.586 -0.576 20 0 IBADHN O=C(CN1CCCC1)N1CCN(C(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)CC1 ZINC000476994267 1073075174 /nfs/dbraw/zinc/07/51/74/1073075174.db2.gz XOOSAFQRCOOHPE-QGZVFWFLSA-N 0 3 445.586 -0.576 20 0 IBADHN O=C(CN1CCCC1)N1CCN(S(=O)(=O)CCNS(=O)(=O)c2ccccc2)CC1 ZINC000476996284 1073075160 /nfs/dbraw/zinc/07/51/60/1073075160.db2.gz AHAHNFSSPDKIGH-UHFFFAOYSA-N 0 3 444.579 -0.465 20 0 IBADHN Cc1ccc(-n2nccc2NC(=O)C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)nn1 ZINC000476999136 1073075616 /nfs/dbraw/zinc/07/56/16/1073075616.db2.gz GNIXUAGKVMOGCU-HNNXBMFYSA-N 0 3 428.497 -0.032 20 0 IBADHN Cc1ccc(-n2nccc2NC(=O)C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)nn1 ZINC000476999141 1073075395 /nfs/dbraw/zinc/07/53/95/1073075395.db2.gz GNIXUAGKVMOGCU-OAHLLOKOSA-N 0 3 428.497 -0.032 20 0 IBADHN CCN(CC)CC(=O)N1CCN(S(=O)(=O)CCNS(=O)(=O)c2ccccc2)CC1 ZINC000477003717 1073076741 /nfs/dbraw/zinc/07/67/41/1073076741.db2.gz QPLVRHXVGKIVPJ-UHFFFAOYSA-N 0 3 446.595 -0.219 20 0 IBADHN O=C(CN1CCCC1)N1CCN(S(=O)(=O)c2ccc3c(c2)S(=O)(=O)CC3)CC1 ZINC000477008225 1073075758 /nfs/dbraw/zinc/07/57/58/1073075758.db2.gz WCMPNWLYUVTJFE-UHFFFAOYSA-N 0 3 427.548 -0.055 20 0 IBADHN NC(=O)[C@H]1CCCN(CCCNS(=O)(=O)CCNS(=O)(=O)c2ccccc2)C1 ZINC000477011960 1073076314 /nfs/dbraw/zinc/07/63/14/1073076314.db2.gz NGMSNEFSQODWHU-HNNXBMFYSA-N 0 3 432.568 -0.528 20 0 IBADHN NC(=O)[C@@H]1CCCN(CCCNS(=O)(=O)CCNS(=O)(=O)c2ccccc2)C1 ZINC000477011961 1073076119 /nfs/dbraw/zinc/07/61/19/1073076119.db2.gz NGMSNEFSQODWHU-OAHLLOKOSA-N 0 3 432.568 -0.528 20 0 IBADHN CCN(CC)CC(=O)N1CCN(C(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)CC1 ZINC000477043218 1073079328 /nfs/dbraw/zinc/07/93/28/1073079328.db2.gz BGMGWXALOUUOFR-KRWDZBQOSA-N 0 3 447.602 -0.330 20 0 IBADHN CCN(CC)CC(=O)N1CCN(C(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)CC1 ZINC000477043225 1073079413 /nfs/dbraw/zinc/07/94/13/1073079413.db2.gz BGMGWXALOUUOFR-QGZVFWFLSA-N 0 3 447.602 -0.330 20 0 IBADHN COCCN1CCC[C@@H]1CNC(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000477083466 1073081025 /nfs/dbraw/zinc/08/10/25/1073081025.db2.gz CABQKSDTDLHSKU-FGTMMUONSA-N 0 3 447.602 -0.222 20 0 IBADHN COCCN1CCC[C@H]1CNC(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000477083474 1073080940 /nfs/dbraw/zinc/08/09/40/1073080940.db2.gz CABQKSDTDLHSKU-KSZLIROESA-N 0 3 447.602 -0.222 20 0 IBADHN COCCN1CCC[C@@H]1CNC(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000477083482 1073080968 /nfs/dbraw/zinc/08/09/68/1073080968.db2.gz CABQKSDTDLHSKU-KZNAEPCWSA-N 0 3 447.602 -0.222 20 0 IBADHN COCCN1CCC[C@@H]1CNC(=O)N1CCN(S(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000477083488 1073080905 /nfs/dbraw/zinc/08/09/05/1073080905.db2.gz CABQKSDTDLHSKU-OKZBNKHCSA-N 0 3 447.602 -0.222 20 0 IBADHN Cc1cc(NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n(-c2ccc(C)nn2)n1 ZINC000477146401 1073082714 /nfs/dbraw/zinc/08/27/14/1073082714.db2.gz DANBQLOMGLAIRI-INIZCTEOSA-N 0 3 440.508 -0.017 20 0 IBADHN Cc1cc(NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)n(-c2ccc(C)nn2)n1 ZINC000477146422 1073082612 /nfs/dbraw/zinc/08/26/12/1073082612.db2.gz DANBQLOMGLAIRI-MRXNPFEDSA-N 0 3 440.508 -0.017 20 0 IBADHN Cc1ccc(-n2nccc2NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)nn1 ZINC000477153052 1073083022 /nfs/dbraw/zinc/08/30/22/1073083022.db2.gz SSOWADWSGOMBAM-HNNXBMFYSA-N 0 3 426.481 -0.326 20 0 IBADHN Cc1ccc(-n2nccc2NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)nn1 ZINC000477153053 1073082959 /nfs/dbraw/zinc/08/29/59/1073082959.db2.gz SSOWADWSGOMBAM-OAHLLOKOSA-N 0 3 426.481 -0.326 20 0 IBADHN CN(C)C[C@@H]1CN(C(=O)C(=O)NCc2cccc(NC(=O)Cn3cccn3)c2)CCO1 ZINC000477265720 1073091055 /nfs/dbraw/zinc/09/10/55/1073091055.db2.gz PWOHXYXQACGVMC-GOSISDBHSA-N 0 3 428.493 -0.073 20 0 IBADHN CN(C)C[C@H]1CN(C(=O)C(=O)NCc2cccc(NC(=O)Cn3cccn3)c2)CCO1 ZINC000477265721 1073091330 /nfs/dbraw/zinc/09/13/30/1073091330.db2.gz PWOHXYXQACGVMC-SFHVURJKSA-N 0 3 428.493 -0.073 20 0 IBADHN CCCn1c(N)c(N(CCOC)C(=O)CCC(=O)N2CCNC(C)(C)C2)c(=O)[nH]c1=O ZINC000477312367 1073093543 /nfs/dbraw/zinc/09/35/43/1073093543.db2.gz UEUHTNACRAVBIF-UHFFFAOYSA-N 0 3 438.529 -0.089 20 0 IBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)Nc2ccnn2-c2ccc(C)nn2)CC1 ZINC000477317084 1073094009 /nfs/dbraw/zinc/09/40/09/1073094009.db2.gz FCLAJNSBXRBEED-UHFFFAOYSA-N 0 3 428.497 -0.078 20 0 IBADHN Cc1ccc(-n2nccc2NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)nn1 ZINC000477344381 1073094939 /nfs/dbraw/zinc/09/49/39/1073094939.db2.gz DAHCWYNWIQRROS-UHFFFAOYSA-N 0 3 426.481 -0.324 20 0 IBADHN Cc1cc(NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)n(-c2ccc(C)nn2)n1 ZINC000477353823 1073094870 /nfs/dbraw/zinc/09/48/70/1073094870.db2.gz RYEITGYQEKNXDG-UHFFFAOYSA-N 0 3 440.508 -0.016 20 0 IBADHN CN1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)CC2CCN(S(C)(=O)=O)CC2)CC1 ZINC000477472777 1073101063 /nfs/dbraw/zinc/10/10/63/1073101063.db2.gz BXWPXFLLBJSYMT-INIZCTEOSA-N 0 3 436.600 -0.774 20 0 IBADHN CN1CCC[C@@H]1C(=O)N1CCN(S(=O)(=O)CC2CCN(S(C)(=O)=O)CC2)CC1 ZINC000477472794 1073101103 /nfs/dbraw/zinc/10/11/03/1073101103.db2.gz BXWPXFLLBJSYMT-MRXNPFEDSA-N 0 3 436.600 -0.774 20 0 IBADHN CS(=O)(=O)N1CCC(CS(=O)(=O)N2CCN(C(=O)CN3CCCC3)CC2)CC1 ZINC000477525386 1073104304 /nfs/dbraw/zinc/10/43/04/1073104304.db2.gz NGKLCKCOLXRJBJ-UHFFFAOYSA-N 0 3 436.600 -0.772 20 0 IBADHN COCCN1CCC(NC(=O)C(=O)N2CCN(CC(=O)NC3CCCCC3)CC2)CC1 ZINC000477612940 1073110881 /nfs/dbraw/zinc/11/08/81/1073110881.db2.gz GNLLJUDKJINNOK-UHFFFAOYSA-N 0 3 437.585 -0.194 20 0 IBADHN COCCN1CCC(NC(=O)C(=O)N2CCN([C@@H](C)C(=O)NC3CCCC3)CC2)CC1 ZINC000477617677 1073112652 /nfs/dbraw/zinc/11/26/52/1073112652.db2.gz SLNDOIYDVVHDHX-KRWDZBQOSA-N 0 3 437.585 -0.195 20 0 IBADHN COCCN1CCC(NC(=O)C(=O)N2CCN([C@H](C)C(=O)NC3CCCC3)CC2)CC1 ZINC000477617679 1073112493 /nfs/dbraw/zinc/11/24/93/1073112493.db2.gz SLNDOIYDVVHDHX-QGZVFWFLSA-N 0 3 437.585 -0.195 20 0 IBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)[C@](C)(O)CN1C(=O)NC2(CCCC2)C1=O ZINC000477621488 1073112581 /nfs/dbraw/zinc/11/25/81/1073112581.db2.gz LLVIYWYLGGGQNB-FOIQADDNSA-N 0 3 437.541 -0.339 20 0 IBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@](C)(O)CN1C(=O)NC2(CCCC2)C1=O ZINC000477621506 1073112549 /nfs/dbraw/zinc/11/25/49/1073112549.db2.gz LLVIYWYLGGGQNB-MGPUTAFESA-N 0 3 437.541 -0.339 20 0 IBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)[C@@](C)(O)CN1C(=O)NC2(CCCC2)C1=O ZINC000477621507 1073113074 /nfs/dbraw/zinc/11/30/74/1073113074.db2.gz LLVIYWYLGGGQNB-QRWLVFNGSA-N 0 3 437.541 -0.339 20 0 IBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@@](C)(O)CN1C(=O)NC2(CCCC2)C1=O ZINC000477621508 1073112985 /nfs/dbraw/zinc/11/29/85/1073112985.db2.gz LLVIYWYLGGGQNB-YWZLYKJASA-N 0 3 437.541 -0.339 20 0 IBADHN CCOC(=O)c1ccc(N2CC(NC(=O)C(=O)NC3CCN(CCOC)CC3)C2)nc1 ZINC000477623968 1073111545 /nfs/dbraw/zinc/11/15/45/1073111545.db2.gz CRWCZAWOFIQQMG-UHFFFAOYSA-N 0 3 433.509 -0.210 20 0 IBADHN COCCN1CCC(NC(=O)C(=O)N2CCN(S(=O)(=O)CCOC(C)C)CC2)CC1 ZINC000477625752 1073111538 /nfs/dbraw/zinc/11/15/38/1073111538.db2.gz IYVOKDOYTJZCCB-UHFFFAOYSA-N 0 3 448.586 -0.888 20 0 IBADHN COCCN1CCC(NC(=O)C(=O)N(C)CCNS(=O)(=O)c2ccc(C)cc2)CC1 ZINC000477626139 1073112041 /nfs/dbraw/zinc/11/20/41/1073112041.db2.gz JXYMGBIVRABRKE-UHFFFAOYSA-N 0 3 440.566 -0.041 20 0 IBADHN CNS(=O)(=O)c1cccc([C@H](C)NC(=O)C(=O)NC2CCN(CCOC)CC2)c1 ZINC000477629390 1073111973 /nfs/dbraw/zinc/11/19/73/1073111973.db2.gz XZOAVFZHDMIDMW-AWEZNQCLSA-N 0 3 426.539 -0.001 20 0 IBADHN CNS(=O)(=O)c1cccc([C@@H](C)NC(=O)C(=O)NC2CCN(CCOC)CC2)c1 ZINC000477629393 1073111923 /nfs/dbraw/zinc/11/19/23/1073111923.db2.gz XZOAVFZHDMIDMW-CQSZACIVSA-N 0 3 426.539 -0.001 20 0 IBADHN COCCN1CCC(NC(=O)C(=O)N2CCN(CC(=O)Nc3ccccc3)CC2)CC1 ZINC000477643448 1073113171 /nfs/dbraw/zinc/11/31/71/1073113171.db2.gz JWLQNDGBFXSMFV-UHFFFAOYSA-N 0 3 431.537 -0.004 20 0 IBADHN CCN(CCO)CCNC(=O)C(=O)Nc1ccc(N2CCS(=O)(=O)CC2)cc1OC ZINC000477644857 1073113729 /nfs/dbraw/zinc/11/37/29/1073113729.db2.gz NXZFNKSEMREVIR-UHFFFAOYSA-N 0 3 442.538 -0.701 20 0 IBADHN COCCN1CCC(NC(=O)C(=O)N2CCN(S(=O)(=O)c3cccnc3)CC2)CC1 ZINC000477648505 1073113562 /nfs/dbraw/zinc/11/35/62/1073113562.db2.gz UPJNCWTVVTWMDA-UHFFFAOYSA-N 0 3 439.538 -0.859 20 0 IBADHN CNS(=O)(=O)c1ccc([C@H](C)NC(=O)C(=O)NC2CCN(CCOC)CC2)cc1 ZINC000477652066 1073114223 /nfs/dbraw/zinc/11/42/23/1073114223.db2.gz KTGICUAMPFKVJQ-AWEZNQCLSA-N 0 3 426.539 -0.001 20 0 IBADHN CNS(=O)(=O)c1ccc([C@@H](C)NC(=O)C(=O)NC2CCN(CCOC)CC2)cc1 ZINC000477652067 1073113966 /nfs/dbraw/zinc/11/39/66/1073113966.db2.gz KTGICUAMPFKVJQ-CQSZACIVSA-N 0 3 426.539 -0.001 20 0 IBADHN COCCN1CCC(NC(=O)C(=O)N2CCN(CC(=O)N3CCCC[C@H]3C)CC2)CC1 ZINC000477654760 1073114068 /nfs/dbraw/zinc/11/40/68/1073114068.db2.gz UVFXKTAXGPVFEL-GOSISDBHSA-N 0 3 437.585 -0.241 20 0 IBADHN COCCN1CCC(NC(=O)C(=O)N2CCN(CC(=O)N3CCCC[C@@H]3C)CC2)CC1 ZINC000477654761 1073114159 /nfs/dbraw/zinc/11/41/59/1073114159.db2.gz UVFXKTAXGPVFEL-SFHVURJKSA-N 0 3 437.585 -0.241 20 0 IBADHN COCCN1CCC(NC(=O)C(=O)NCC(=O)N2CCN(c3ccccc3)CC2)CC1 ZINC000477672353 1073115218 /nfs/dbraw/zinc/11/52/18/1073115218.db2.gz ANPUICMWIFEOIC-UHFFFAOYSA-N 0 3 431.537 -0.322 20 0 IBADHN COCCN1CCC(NC(=O)C(=O)N2CCN(CC(=O)Nc3cc(C)on3)CC2)CC1 ZINC000477672952 1074352241 /nfs/dbraw/zinc/35/22/41/1074352241.db2.gz BKMYDBYLBXURTP-UHFFFAOYSA-N 0 3 436.513 -0.707 20 0 IBADHN COCCN1CCC(NC(=O)C(=O)N2CCOC[C@H]2c2noc(-c3cnn(C)c3)n2)CC1 ZINC000477673322 1073115113 /nfs/dbraw/zinc/11/51/13/1073115113.db2.gz GKPQKNKTGIAEIJ-INIZCTEOSA-N 0 3 447.496 -0.403 20 0 IBADHN COCCN1CCC(NC(=O)C(=O)N2CCOC[C@@H]2c2noc(-c3cnn(C)c3)n2)CC1 ZINC000477673323 1073115856 /nfs/dbraw/zinc/11/58/56/1073115856.db2.gz GKPQKNKTGIAEIJ-MRXNPFEDSA-N 0 3 447.496 -0.403 20 0 IBADHN COCCN1CCC(NC(=O)C(=O)N2CCN(CC(=O)NCc3ccccc3)CC2)CC1 ZINC000477675844 1073115837 /nfs/dbraw/zinc/11/58/37/1073115837.db2.gz HBSUUFJGIAJPJD-UHFFFAOYSA-N 0 3 445.564 -0.326 20 0 IBADHN COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)C(=O)NC2CCN(CCOC)CC2)C1 ZINC000477677853 1073115733 /nfs/dbraw/zinc/11/57/33/1073115733.db2.gz MWHUMWBCESIEAO-KRWDZBQOSA-N 0 3 448.586 -0.888 20 0 IBADHN COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)NC2CCN(CCOC)CC2)C1 ZINC000477677854 1073115691 /nfs/dbraw/zinc/11/56/91/1073115691.db2.gz MWHUMWBCESIEAO-QGZVFWFLSA-N 0 3 448.586 -0.888 20 0 IBADHN COCCN1CCC(NC(=O)C(=O)N2CCN(c3nccn4cnnc34)[C@@H](C)C2)CC1 ZINC000477682209 1073115764 /nfs/dbraw/zinc/11/57/64/1073115764.db2.gz YIQYHUFGRIEWDJ-HNNXBMFYSA-N 0 3 430.513 -0.612 20 0 IBADHN COCCN1CCC(NC(=O)C(=O)N2CCN(c3nccn4cnnc34)[C@H](C)C2)CC1 ZINC000477682210 1073115786 /nfs/dbraw/zinc/11/57/86/1073115786.db2.gz YIQYHUFGRIEWDJ-OAHLLOKOSA-N 0 3 430.513 -0.612 20 0 IBADHN COCCN1CCC(NC(=O)C(=O)N2CCN(CC(=O)N3CCCCCC3)CC2)CC1 ZINC000477683793 1073115159 /nfs/dbraw/zinc/11/51/59/1073115159.db2.gz RJJUDRWNHBBQNL-UHFFFAOYSA-N 0 3 437.585 -0.240 20 0 IBADHN COCCN1CCC(NC(=O)C(=O)NCCOc2ccc(S(C)(=O)=O)cc2)CC1 ZINC000477684365 1073115231 /nfs/dbraw/zinc/11/52/31/1073115231.db2.gz YUBFYXHSKNEQHE-UHFFFAOYSA-N 0 3 427.523 -0.188 20 0 IBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 ZINC000477733569 1073117394 /nfs/dbraw/zinc/11/73/94/1073117394.db2.gz GFTKZIIJALSKHY-DLBZAZTESA-N 0 3 447.602 -0.283 20 0 IBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 ZINC000477733570 1073117537 /nfs/dbraw/zinc/11/75/37/1073117537.db2.gz GFTKZIIJALSKHY-IAGOWNOFSA-N 0 3 447.602 -0.283 20 0 IBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NCCS(=O)(=O)NC[C@@H]1CCCCO1 ZINC000477733571 1073117321 /nfs/dbraw/zinc/11/73/21/1073117321.db2.gz GFTKZIIJALSKHY-IRXDYDNUSA-N 0 3 447.602 -0.283 20 0 IBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NCCS(=O)(=O)NC[C@H]1CCCCO1 ZINC000477733572 1073117520 /nfs/dbraw/zinc/11/75/20/1073117520.db2.gz GFTKZIIJALSKHY-SJORKVTESA-N 0 3 447.602 -0.283 20 0 IBADHN O=C([C@@H]1CN2CCN1CCC2)N1CCN(S(=O)(=O)c2cccc3nsnc32)CC1 ZINC000478019351 1073199016 /nfs/dbraw/zinc/19/90/16/1073199016.db2.gz WYXGSIUKQDQLQT-HNNXBMFYSA-N 0 3 436.563 -0.086 20 0 IBADHN O=C([C@H]1CN2CCN1CCC2)N1CCN(S(=O)(=O)c2cccc3nsnc32)CC1 ZINC000478019352 1073198936 /nfs/dbraw/zinc/19/89/36/1073198936.db2.gz WYXGSIUKQDQLQT-OAHLLOKOSA-N 0 3 436.563 -0.086 20 0 IBADHN COc1cnccc1N1CCN(C(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 ZINC000478440920 1073223825 /nfs/dbraw/zinc/22/38/25/1073223825.db2.gz AUZKTUMIXABLBZ-UHFFFAOYSA-N 0 3 427.465 -0.424 20 0 IBADHN COc1cnccc1N1CCN(C(=O)Cn2c3ccc(S(N)(=O)=O)cc3oc2=O)CC1 ZINC000478456181 1073223474 /nfs/dbraw/zinc/22/34/74/1073223474.db2.gz BIWIYDKHXHXPDI-UHFFFAOYSA-N 0 3 447.473 -0.006 20 0 IBADHN CN(C)CCn1c(=O)oc2ccc(NC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)cc21 ZINC000478473932 1073225115 /nfs/dbraw/zinc/22/51/15/1073225115.db2.gz HOGALLBNMXHCSP-UHFFFAOYSA-N 0 3 441.448 -0.458 20 0 IBADHN COc1cnccc1N1CCN(C(=O)CCS(=O)(=O)NCC(=O)NC(C)C)CC1 ZINC000478486569 1073226039 /nfs/dbraw/zinc/22/60/39/1073226039.db2.gz GHDGOYTXGNYSJT-UHFFFAOYSA-N 0 3 427.527 -0.427 20 0 IBADHN CS[C@H]1CN(C(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)C[C@H]1N(C)C ZINC000478528542 1073227176 /nfs/dbraw/zinc/22/71/76/1073227176.db2.gz JPHOQQCPPWQNJE-CVEARBPZSA-N 0 3 426.564 -0.075 20 0 IBADHN CS[C@H]1CN(C(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)C[C@@H]1N(C)C ZINC000478528543 1073227371 /nfs/dbraw/zinc/22/73/71/1073227371.db2.gz JPHOQQCPPWQNJE-HOTGVXAUSA-N 0 3 426.564 -0.075 20 0 IBADHN CS[C@@H]1CN(C(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)C[C@H]1N(C)C ZINC000478528544 1073227277 /nfs/dbraw/zinc/22/72/77/1073227277.db2.gz JPHOQQCPPWQNJE-HZPDHXFCSA-N 0 3 426.564 -0.075 20 0 IBADHN CS[C@@H]1CN(C(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)C[C@@H]1N(C)C ZINC000478528545 1073227188 /nfs/dbraw/zinc/22/71/88/1073227188.db2.gz JPHOQQCPPWQNJE-JKSUJKDBSA-N 0 3 426.564 -0.075 20 0 IBADHN COc1cnccc1N1CCN(C(=O)C(=O)NCc2cccc(OCC(N)=O)c2)CC1 ZINC000478747279 1073243133 /nfs/dbraw/zinc/24/31/33/1073243133.db2.gz DFTUIEUYIXDSRI-UHFFFAOYSA-N 0 3 427.461 -0.081 20 0 IBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NCc2cccc(OCC(N)=O)c2)CC1 ZINC000478793992 1073244655 /nfs/dbraw/zinc/24/46/55/1073244655.db2.gz HQBCAXAAZIASBI-UHFFFAOYSA-N 0 3 433.509 -0.821 20 0 IBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCCN2CCc3sccc3C2)CC1 ZINC000478832579 1073248156 /nfs/dbraw/zinc/24/81/56/1073248156.db2.gz YTXKDDVLAUGSHW-KRWDZBQOSA-N 0 3 433.578 -0.013 20 0 IBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCCN2CCc3sccc3C2)CC1 ZINC000478832583 1073248290 /nfs/dbraw/zinc/24/82/90/1073248290.db2.gz YTXKDDVLAUGSHW-QGZVFWFLSA-N 0 3 433.578 -0.013 20 0 IBADHN O=C(CN1CCCC1)N1CCN(C(=O)C(=O)NCCN2CCc3sccc3C2)CC1 ZINC000478890743 1073250580 /nfs/dbraw/zinc/25/05/80/1073250580.db2.gz ZEGABOUYJYEYJP-UHFFFAOYSA-N 0 3 433.578 -0.011 20 0 IBADHN O=C([C@@H]1CN2CCN1CCC2)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000478949290 1073253571 /nfs/dbraw/zinc/25/35/71/1073253571.db2.gz FPJJRVNYEKAUOS-KRWDZBQOSA-N 0 3 436.534 -0.319 20 0 IBADHN O=C([C@H]1CN2CCN1CCC2)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000478949291 1073253622 /nfs/dbraw/zinc/25/36/22/1073253622.db2.gz FPJJRVNYEKAUOS-QGZVFWFLSA-N 0 3 436.534 -0.319 20 0 IBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)Nc2ccc3c(c2)S(=O)(=O)CC3)CC1 ZINC000478997410 1073256967 /nfs/dbraw/zinc/25/69/67/1073256967.db2.gz GWIBLKKFUFXLTF-UHFFFAOYSA-N 0 3 436.534 -0.033 20 0 IBADHN O=C(CN1CCCC1)N1CCN(C(=O)C(=O)Nc2ccc3c(c2)S(=O)(=O)CC3)CC1 ZINC000479010477 1073258673 /nfs/dbraw/zinc/25/86/73/1073258673.db2.gz LQTGFCNPAZHHNB-UHFFFAOYSA-N 0 3 434.518 -0.279 20 0 IBADHN COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)[C@@H]3CN4CCN3CCC4)CC2)c1 ZINC000479067913 1073261649 /nfs/dbraw/zinc/26/16/49/1073261649.db2.gz CWRVOWRAHUEFAK-KRWDZBQOSA-N 0 3 438.550 -0.073 20 0 IBADHN COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)[C@H]3CN4CCN3CCC4)CC2)c1 ZINC000479067914 1073261585 /nfs/dbraw/zinc/26/15/85/1073261585.db2.gz CWRVOWRAHUEFAK-QGZVFWFLSA-N 0 3 438.550 -0.073 20 0 IBADHN NS(=O)(=O)c1ccc(NC(=O)C2CCN(C(=O)[C@H]3CN4CCN3CCC4)CC2)cc1 ZINC000479069089 1073261622 /nfs/dbraw/zinc/26/16/22/1073261622.db2.gz GZUYKBYMNPWLEW-GOSISDBHSA-N 0 3 435.550 -0.099 20 0 IBADHN NS(=O)(=O)c1ccc(NC(=O)C2CCN(C(=O)[C@@H]3CN4CCN3CCC4)CC2)cc1 ZINC000479069090 1073261672 /nfs/dbraw/zinc/26/16/72/1073261672.db2.gz GZUYKBYMNPWLEW-SFHVURJKSA-N 0 3 435.550 -0.099 20 0 IBADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)NCCCCS(N)(=O)=O)cc2)CC1 ZINC000479346340 1073274442 /nfs/dbraw/zinc/27/44/42/1073274442.db2.gz PYMQYVRGCGLBTA-UHFFFAOYSA-N 0 3 425.555 -0.053 20 0 IBADHN CN(CCCN1CCN(C)CC1)C(=O)C(=O)NC[C@@]1(N2CCOCC2)CCSC1 ZINC000479922166 1073300270 /nfs/dbraw/zinc/30/02/70/1073300270.db2.gz BQWRKAVHZBHPIG-FQEVSTJZSA-N 0 3 427.615 -0.594 20 0 IBADHN CN(CCCN1CCN(C)CC1)C(=O)C(=O)NC[C@]1(N2CCOCC2)CCSC1 ZINC000479922174 1073300092 /nfs/dbraw/zinc/30/00/92/1073300092.db2.gz BQWRKAVHZBHPIG-HXUWFJFHSA-N 0 3 427.615 -0.594 20 0 IBADHN Cn1c2ncn(CC(=O)NCc3ccccc3CN3CCC(O)CC3)c2c(=O)n(C)c1=O ZINC000479992003 1073307999 /nfs/dbraw/zinc/30/79/99/1073307999.db2.gz UPYQZSRNKUUALO-UHFFFAOYSA-N 0 3 440.504 -0.293 20 0 IBADHN C[C@@H](CN1CCN(c2ccccn2)CC1)NC(=O)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000479992469 1073309091 /nfs/dbraw/zinc/30/90/91/1073309091.db2.gz VIQWSXZKKOOQBP-IBGZPJMESA-N 0 3 445.612 -0.150 20 0 IBADHN C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000479992474 1073308958 /nfs/dbraw/zinc/30/89/58/1073308958.db2.gz VIQWSXZKKOOQBP-LJQANCHMSA-N 0 3 445.612 -0.150 20 0 IBADHN CN1CCN(CCNC(=O)C(=O)NC[C@@]2(N3CCOCC3)CCSC2)CC1(C)C ZINC000480001899 1073309445 /nfs/dbraw/zinc/30/94/45/1073309445.db2.gz MLZYTSPKCKAKMQ-FQEVSTJZSA-N 0 3 427.615 -0.547 20 0 IBADHN CN1CCN(CCNC(=O)C(=O)NC[C@]2(N3CCOCC3)CCSC2)CC1(C)C ZINC000480001900 1073309455 /nfs/dbraw/zinc/30/94/55/1073309455.db2.gz MLZYTSPKCKAKMQ-HXUWFJFHSA-N 0 3 427.615 -0.547 20 0 IBADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NC[C@]1(N2CCOCC2)CCSC1 ZINC000480004003 1073309812 /nfs/dbraw/zinc/30/98/12/1073309812.db2.gz ZLUFWLCMROASPU-FXAWDEMLSA-N 0 3 428.599 -0.120 20 0 IBADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NC[C@@]1(N2CCOCC2)CCSC1 ZINC000480004004 1073309778 /nfs/dbraw/zinc/30/97/78/1073309778.db2.gz ZLUFWLCMROASPU-PXNSSMCTSA-N 0 3 428.599 -0.120 20 0 IBADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NC[C@@]1(N2CCOCC2)CCSC1 ZINC000480004005 1073309892 /nfs/dbraw/zinc/30/98/92/1073309892.db2.gz ZLUFWLCMROASPU-XLIONFOSSA-N 0 3 428.599 -0.120 20 0 IBADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NC[C@]1(N2CCOCC2)CCSC1 ZINC000480004006 1073309802 /nfs/dbraw/zinc/30/98/02/1073309802.db2.gz ZLUFWLCMROASPU-YLJYHZDGSA-N 0 3 428.599 -0.120 20 0 IBADHN C[C@@H](CN1CCN(c2ccccn2)CC1)NC(=O)C(=O)N(C)CCCN1CCN(C)CC1 ZINC000480027434 1073311662 /nfs/dbraw/zinc/31/16/62/1073311662.db2.gz UZVXZZYCVWWSQO-FQEVSTJZSA-N 0 3 445.612 -0.196 20 0 IBADHN C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)C(=O)N(C)CCCN1CCN(C)CC1 ZINC000480027435 1073311601 /nfs/dbraw/zinc/31/16/01/1073311601.db2.gz UZVXZZYCVWWSQO-HXUWFJFHSA-N 0 3 445.612 -0.196 20 0 IBADHN CN(C)CCN(C)C(=O)C(=O)NCc1ccccc1S(=O)(=O)N1CCN(C)CC1 ZINC000480466871 1073330879 /nfs/dbraw/zinc/33/08/79/1073330879.db2.gz ZZFAIFVMJDQWER-UHFFFAOYSA-N 0 3 425.555 -0.741 20 0 IBADHN CNS(=O)(=O)c1ccc(S(=O)(=O)NCCCN2CCC[C@H](C(N)=O)C2)cc1C ZINC000480525910 1073338107 /nfs/dbraw/zinc/33/81/07/1073338107.db2.gz KTUSDJIIAUMYHW-AWEZNQCLSA-N 0 3 432.568 -0.231 20 0 IBADHN CNS(=O)(=O)c1ccc(S(=O)(=O)NCCCN2CCC[C@@H](C(N)=O)C2)cc1C ZINC000480525918 1073337925 /nfs/dbraw/zinc/33/79/25/1073337925.db2.gz KTUSDJIIAUMYHW-CQSZACIVSA-N 0 3 432.568 -0.231 20 0 IBADHN CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)CN3CCCC3)CC2)cc1C ZINC000480535345 1073339551 /nfs/dbraw/zinc/33/95/51/1073339551.db2.gz HXDUFQMKLVKOJO-UHFFFAOYSA-N 0 3 444.579 -0.168 20 0 IBADHN CCN(CC)CC(=O)N1CCN(S(=O)(=O)CC2CCN(S(C)(=O)=O)CC2)CC1 ZINC000480541829 1073339473 /nfs/dbraw/zinc/33/94/73/1073339473.db2.gz QVHGSDDRGZTHIX-UHFFFAOYSA-N 0 3 438.616 -0.526 20 0 IBADHN CS(=O)(=O)N1CCN(S(=O)(=O)N2C[C@H]3CN(Cc4ccccc4)C[C@H]3C2)CC1 ZINC000480591681 1073341828 /nfs/dbraw/zinc/34/18/28/1073341828.db2.gz XMELMVMPPQRNIB-HDICACEKSA-N 0 3 428.580 -0.128 20 0 IBADHN CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)cc1C ZINC000480803112 1073350089 /nfs/dbraw/zinc/35/00/89/1073350089.db2.gz JPOUARYKVCMQQN-INIZCTEOSA-N 0 3 444.579 -0.170 20 0 IBADHN CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)cc1C ZINC000480803120 1073349954 /nfs/dbraw/zinc/34/99/54/1073349954.db2.gz JPOUARYKVCMQQN-MRXNPFEDSA-N 0 3 444.579 -0.170 20 0 IBADHN CNS(=O)(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)c1 ZINC000480836930 1073351743 /nfs/dbraw/zinc/35/17/43/1073351743.db2.gz CKCMUTUCEWPEPE-INIZCTEOSA-N 0 3 430.552 -0.478 20 0 IBADHN CNS(=O)(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)c1 ZINC000480836931 1073351693 /nfs/dbraw/zinc/35/16/93/1073351693.db2.gz CKCMUTUCEWPEPE-MRXNPFEDSA-N 0 3 430.552 -0.478 20 0 IBADHN O=C(N[C@H]1CCCc2cn[nH]c21)C(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 ZINC000480859684 1073351711 /nfs/dbraw/zinc/35/17/11/1073351711.db2.gz ZPMDLYDBBDBKJY-INIZCTEOSA-N 0 3 440.508 -0.121 20 0 IBADHN O=C(N[C@@H]1CCCc2cn[nH]c21)C(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 ZINC000480859691 1073351601 /nfs/dbraw/zinc/35/16/01/1073351601.db2.gz ZPMDLYDBBDBKJY-MRXNPFEDSA-N 0 3 440.508 -0.121 20 0 IBADHN CN(C)S(=O)(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)c1 ZINC000480865616 1073352529 /nfs/dbraw/zinc/35/25/29/1073352529.db2.gz AESYJIJHLREWTK-KRWDZBQOSA-N 0 3 444.579 -0.136 20 0 IBADHN CN(C)S(=O)(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)c1 ZINC000480865620 1073352668 /nfs/dbraw/zinc/35/26/68/1073352668.db2.gz AESYJIJHLREWTK-QGZVFWFLSA-N 0 3 444.579 -0.136 20 0 IBADHN CN1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)S(=O)(=O)CC3)CC1 ZINC000480866994 1073352593 /nfs/dbraw/zinc/35/25/93/1073352593.db2.gz AWXIVWRJTWPBOP-INIZCTEOSA-N 0 3 427.548 -0.057 20 0 IBADHN CN1CCC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)S(=O)(=O)CC3)CC1 ZINC000480867051 1073352631 /nfs/dbraw/zinc/35/26/31/1073352631.db2.gz AWXIVWRJTWPBOP-MRXNPFEDSA-N 0 3 427.548 -0.057 20 0 IBADHN CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)cc1 ZINC000480868952 1073352973 /nfs/dbraw/zinc/35/29/73/1073352973.db2.gz DIJVWTWYEHNBNL-INIZCTEOSA-N 0 3 430.552 -0.478 20 0 IBADHN CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)cc1 ZINC000480868954 1073353012 /nfs/dbraw/zinc/35/30/12/1073353012.db2.gz DIJVWTWYEHNBNL-MRXNPFEDSA-N 0 3 430.552 -0.478 20 0 IBADHN CN1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)CCNS(=O)(=O)c2ccccc2)CC1 ZINC000480869072 1073352364 /nfs/dbraw/zinc/35/23/64/1073352364.db2.gz DSMXVMOKNPWDOM-KRWDZBQOSA-N 0 3 444.579 -0.467 20 0 IBADHN CN1CCC[C@@H]1C(=O)N1CCN(S(=O)(=O)CCNS(=O)(=O)c2ccccc2)CC1 ZINC000480869075 1073352394 /nfs/dbraw/zinc/35/23/94/1073352394.db2.gz DSMXVMOKNPWDOM-QGZVFWFLSA-N 0 3 444.579 -0.467 20 0 IBADHN CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)cc1 ZINC000480880374 1073354243 /nfs/dbraw/zinc/35/42/43/1073354243.db2.gz VCMVOACCJKWRSW-KRWDZBQOSA-N 0 3 444.579 -0.136 20 0 IBADHN CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)cc1 ZINC000480880375 1073354027 /nfs/dbraw/zinc/35/40/27/1073354027.db2.gz VCMVOACCJKWRSW-QGZVFWFLSA-N 0 3 444.579 -0.136 20 0 IBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)CCC(=O)N1CCN(c2ncccn2)CC1 ZINC000481277943 1073365305 /nfs/dbraw/zinc/36/53/05/1073365305.db2.gz RRONHVDPLRHUPP-GOSISDBHSA-N 0 3 445.568 -0.036 20 0 IBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)CCC(=O)N1CCN(c2ncccn2)CC1 ZINC000481277950 1073365248 /nfs/dbraw/zinc/36/52/48/1073365248.db2.gz RRONHVDPLRHUPP-SFHVURJKSA-N 0 3 445.568 -0.036 20 0 IBADHN CCN(CC)CC(=O)N1CCN(C(=O)CCC(=O)N2CCN(c3ncccn3)CC2)CC1 ZINC000481428886 1073370487 /nfs/dbraw/zinc/37/04/87/1073370487.db2.gz BJNMRUJMTJKOIW-UHFFFAOYSA-N 0 3 445.568 -0.082 20 0 IBADHN O=C(CCC(=O)N1CCN(c2ncccn2)CC1)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000481439710 1073371528 /nfs/dbraw/zinc/37/15/28/1073371528.db2.gz TZJULTLHNNMXPT-UHFFFAOYSA-N 0 3 443.552 -0.328 20 0 IBADHN COc1cnccc1N1CCN(S(=O)(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C)CC1 ZINC000481498443 1073375143 /nfs/dbraw/zinc/37/51/43/1073375143.db2.gz ZALKZPTWAUKVQJ-UHFFFAOYSA-N 0 3 432.462 -0.051 20 0 IBADHN COCCCNC(=O)[C@H](C)N1CCN(C(=O)C(=O)N[C@@H](C)CN2CCC[C@H](C)C2)CC1 ZINC000481741956 1073390603 /nfs/dbraw/zinc/39/06/03/1073390603.db2.gz ROMZWWVJEVWXQL-FHWLQOOXSA-N 0 3 439.601 -0.092 20 0 IBADHN COCCCNC(=O)[C@H](C)N1CCN(C(=O)C(=O)N[C@H](C)CN2CCC[C@H](C)C2)CC1 ZINC000481741961 1073390565 /nfs/dbraw/zinc/39/05/65/1073390565.db2.gz ROMZWWVJEVWXQL-OTWHNJEPSA-N 0 3 439.601 -0.092 20 0 IBADHN COCCCNC(=O)[C@H](C)N1CCN(C(=O)C(=O)N[C@H](C)CN2CCC[C@@H](C)C2)CC1 ZINC000481741964 1073390551 /nfs/dbraw/zinc/39/05/51/1073390551.db2.gz ROMZWWVJEVWXQL-QRVBRYPASA-N 0 3 439.601 -0.092 20 0 IBADHN COCCCNC(=O)[C@H](C)N1CCN(C(=O)C(=O)N[C@@H](C)CN2CCC[C@@H](C)C2)CC1 ZINC000481741965 1073390588 /nfs/dbraw/zinc/39/05/88/1073390588.db2.gz ROMZWWVJEVWXQL-QYZOEREBSA-N 0 3 439.601 -0.092 20 0 IBADHN C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)C(=O)N[C@@H](C)CN2CCC[C@@H](C)C2)CC1 ZINC000481744255 1073391230 /nfs/dbraw/zinc/39/12/30/1073391230.db2.gz WERXKFUGDCEBEH-CEXWTWQISA-N 0 3 437.585 -0.386 20 0 IBADHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCN([C@H](C)C(=O)N2CCOCC2)CC1 ZINC000481744266 1073391115 /nfs/dbraw/zinc/39/11/15/1073391115.db2.gz WERXKFUGDCEBEH-GUDVDZBRSA-N 0 3 437.585 -0.386 20 0 IBADHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCN([C@@H](C)C(=O)N2CCOCC2)CC1 ZINC000481744269 1073391631 /nfs/dbraw/zinc/39/16/31/1073391631.db2.gz WERXKFUGDCEBEH-QRVBRYPASA-N 0 3 437.585 -0.386 20 0 IBADHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCN([C@@H](C)C(=O)N2CCOCC2)CC1 ZINC000481744270 1073391705 /nfs/dbraw/zinc/39/17/05/1073391705.db2.gz WERXKFUGDCEBEH-QYZOEREBSA-N 0 3 437.585 -0.386 20 0 IBADHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000481780608 1073395283 /nfs/dbraw/zinc/39/52/83/1073395283.db2.gz VODZGAOMQMHGIZ-CVEARBPZSA-N 0 3 441.554 -0.115 20 0 IBADHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000481780690 1073395460 /nfs/dbraw/zinc/39/54/60/1073395460.db2.gz VODZGAOMQMHGIZ-HOTGVXAUSA-N 0 3 441.554 -0.115 20 0 IBADHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000481780691 1073395561 /nfs/dbraw/zinc/39/55/61/1073395561.db2.gz VODZGAOMQMHGIZ-HZPDHXFCSA-N 0 3 441.554 -0.115 20 0 IBADHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000481780692 1073395604 /nfs/dbraw/zinc/39/56/04/1073395604.db2.gz VODZGAOMQMHGIZ-JKSUJKDBSA-N 0 3 441.554 -0.115 20 0 IBADHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000481828903 1073398905 /nfs/dbraw/zinc/39/89/05/1073398905.db2.gz HNPWQDNERFLLNR-FGTMMUONSA-N 0 3 444.598 -0.124 20 0 IBADHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000481828904 1073399005 /nfs/dbraw/zinc/39/90/05/1073399005.db2.gz HNPWQDNERFLLNR-KURKYZTESA-N 0 3 444.598 -0.124 20 0 IBADHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000481828905 1073399029 /nfs/dbraw/zinc/39/90/29/1073399029.db2.gz HNPWQDNERFLLNR-KZNAEPCWSA-N 0 3 444.598 -0.124 20 0 IBADHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000481828906 1073398795 /nfs/dbraw/zinc/39/87/95/1073398795.db2.gz HNPWQDNERFLLNR-SQNIBIBYSA-N 0 3 444.598 -0.124 20 0 IBADHN CN1CCC[C@@H]1C(=O)N1CCN(c2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)CC1 ZINC000481839888 1073400861 /nfs/dbraw/zinc/40/08/61/1073400861.db2.gz VTGXVZSMVUPWMX-GOSISDBHSA-N 0 3 436.582 -0.240 20 0 IBADHN CN1CCC[C@H]1C(=O)N1CCN(c2ccc(S(=O)(=O)N3CCN(C)CC3)cn2)CC1 ZINC000481839903 1073400836 /nfs/dbraw/zinc/40/08/36/1073400836.db2.gz VTGXVZSMVUPWMX-SFHVURJKSA-N 0 3 436.582 -0.240 20 0 IBADHN C[C@@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 ZINC000481859473 1073405104 /nfs/dbraw/zinc/40/51/04/1073405104.db2.gz ZIYFGQDWEKKNDU-MSOLQXFVSA-N 0 3 445.568 -0.132 20 0 IBADHN C[C@H](CN1CCC[C@@H](C)C1)NC(=O)C(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 ZINC000481859485 1073404794 /nfs/dbraw/zinc/40/47/94/1073404794.db2.gz ZIYFGQDWEKKNDU-QZTJIDSGSA-N 0 3 445.568 -0.132 20 0 IBADHN C[C@@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 ZINC000481859486 1073405002 /nfs/dbraw/zinc/40/50/02/1073405002.db2.gz ZIYFGQDWEKKNDU-ROUUACIJSA-N 0 3 445.568 -0.132 20 0 IBADHN C[C@H](CN1CCC[C@H](C)C1)NC(=O)C(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 ZINC000481859487 1073404986 /nfs/dbraw/zinc/40/49/86/1073404986.db2.gz ZIYFGQDWEKKNDU-ZWKOTPCHSA-N 0 3 445.568 -0.132 20 0 IBADHN CCN1CCC[C@H]1CN(CCN(C)C)S(=O)(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000481865695 1073405551 /nfs/dbraw/zinc/40/55/51/1073405551.db2.gz MFCVHZLWUQUVFK-INIZCTEOSA-N 0 3 425.621 -0.844 20 0 IBADHN CCN1CCC[C@@H]1CN(CCN(C)C)S(=O)(=O)N1CCN(S(C)(=O)=O)CC1 ZINC000481865700 1073405618 /nfs/dbraw/zinc/40/56/18/1073405618.db2.gz MFCVHZLWUQUVFK-MRXNPFEDSA-N 0 3 425.621 -0.844 20 0 IBADHN COC(=O)c1csc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CN4CCN3CCC4)CC2)c1 ZINC000481880397 1073406343 /nfs/dbraw/zinc/40/63/43/1073406343.db2.gz IDJCVHMBDCDBPS-HNNXBMFYSA-N 0 3 442.563 -0.243 20 0 IBADHN COC(=O)c1csc(S(=O)(=O)N2CCN(C(=O)[C@H]3CN4CCN3CCC4)CC2)c1 ZINC000481880404 1073406160 /nfs/dbraw/zinc/40/61/60/1073406160.db2.gz IDJCVHMBDCDBPS-OAHLLOKOSA-N 0 3 442.563 -0.243 20 0 IBADHN COc1cccc(CN(CCN(C)C)C(=O)CNS(=O)(=O)c2c[nH]c(C(N)=O)c2)c1 ZINC000482367839 1073416693 /nfs/dbraw/zinc/41/66/93/1073416693.db2.gz OTELBWGBZRDHQL-UHFFFAOYSA-N 0 3 437.522 -0.009 20 0 IBADHN CN(C)CCn1c2cc(NC(=O)C(=O)NCCC(=O)N3CCOCC3)ccc2oc1=O ZINC000482573248 1073419553 /nfs/dbraw/zinc/41/95/53/1073419553.db2.gz HFBVMYVNNJBVDJ-UHFFFAOYSA-N 0 3 433.465 -0.540 20 0 IBADHN COCCN1CCC(NC(=O)N2CCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)CC1 ZINC000482594555 1073420891 /nfs/dbraw/zinc/42/08/91/1073420891.db2.gz SGNPINABFKCOIT-UHFFFAOYSA-N 0 3 428.559 -0.145 20 0 IBADHN COCCN1CCC[C@H]1CNC(=O)N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 ZINC000482616525 1073422346 /nfs/dbraw/zinc/42/23/46/1073422346.db2.gz LMPDKXRGJXZXNA-INIZCTEOSA-N 0 3 428.559 -0.145 20 0 IBADHN COCCN1CCC[C@@H]1CNC(=O)N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 ZINC000482616527 1073422366 /nfs/dbraw/zinc/42/23/66/1073422366.db2.gz LMPDKXRGJXZXNA-MRXNPFEDSA-N 0 3 428.559 -0.145 20 0 IBADHN Cc1nc(S(=O)(=O)N2CCN(C(=O)NC[C@H](C)CN3CCN(C)CC3)CC2)cn1C ZINC000482622668 1073422392 /nfs/dbraw/zinc/42/23/92/1073422392.db2.gz LUSQJDHFULIBKX-INIZCTEOSA-N 0 3 441.602 -0.372 20 0 IBADHN Cc1nc(S(=O)(=O)N2CCN(C(=O)NC[C@@H](C)CN3CCN(C)CC3)CC2)cn1C ZINC000482622669 1073422433 /nfs/dbraw/zinc/42/24/33/1073422433.db2.gz LUSQJDHFULIBKX-MRXNPFEDSA-N 0 3 441.602 -0.372 20 0 IBADHN CNS(=O)(=O)c1ccc([C@H](C)NC(=O)C(=O)N(C)CCCN2CCN(C)CC2)cc1 ZINC000482659325 1073423054 /nfs/dbraw/zinc/42/30/54/1073423054.db2.gz CSCKYFRWPNDTTC-INIZCTEOSA-N 0 3 439.582 -0.132 20 0 IBADHN CNS(=O)(=O)c1ccc([C@@H](C)NC(=O)C(=O)N(C)CCCN2CCN(C)CC2)cc1 ZINC000482659781 1073423563 /nfs/dbraw/zinc/42/35/63/1073423563.db2.gz CSCKYFRWPNDTTC-MRXNPFEDSA-N 0 3 439.582 -0.132 20 0 IBADHN CN(C)CCn1c2cc(NC(=O)C(=O)NCCCNS(C)(=O)=O)ccc2oc1=O ZINC000482738893 1073427555 /nfs/dbraw/zinc/42/75/55/1073427555.db2.gz XJIGVTQPEMIJEK-UHFFFAOYSA-N 0 3 427.483 -0.850 20 0 IBADHN CNS(=O)(=O)c1ccc([C@H](C)NC(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)cc1 ZINC000482852751 1073431937 /nfs/dbraw/zinc/43/19/37/1073431937.db2.gz YHNKZUBMKCUVFL-HNNXBMFYSA-N 0 3 439.582 -0.086 20 0 IBADHN CNS(=O)(=O)c1ccc([C@@H](C)NC(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)cc1 ZINC000482852752 1073431987 /nfs/dbraw/zinc/43/19/87/1073431987.db2.gz YHNKZUBMKCUVFL-OAHLLOKOSA-N 0 3 439.582 -0.086 20 0 IBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)CC1 ZINC000483025675 1073437142 /nfs/dbraw/zinc/43/71/42/1073437142.db2.gz NTSYUCNOXJNQTM-HNNXBMFYSA-N 0 3 429.481 -0.598 20 0 IBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)CC1 ZINC000483025691 1073437364 /nfs/dbraw/zinc/43/73/64/1073437364.db2.gz NTSYUCNOXJNQTM-OAHLLOKOSA-N 0 3 429.481 -0.598 20 0 IBADHN COC(=O)[C@]12CN([C@@H](C)C(=O)NCCc3ccc(S(N)(=O)=O)cc3)C[C@H]1COCC2 ZINC000483072739 1072823664 /nfs/dbraw/zinc/82/36/64/1072823664.db2.gz AWBWLAAEBNDGHQ-DKICVRJWSA-N 0 3 439.534 -0.107 20 0 IBADHN COC(=O)[C@]12CN([C@H](C)C(=O)NCCc3ccc(S(N)(=O)=O)cc3)C[C@H]1COCC2 ZINC000483072740 1072823828 /nfs/dbraw/zinc/82/38/28/1072823828.db2.gz AWBWLAAEBNDGHQ-PTSWNOGYSA-N 0 3 439.534 -0.107 20 0 IBADHN COC(=O)[C@]12CN(CC(=O)N3CCN(c4ncnc5c4cnn5C)CC3)C[C@H]1COCC2 ZINC000483085740 1072824281 /nfs/dbraw/zinc/82/42/81/1072824281.db2.gz HXZLVZIXVQTIBJ-YCRPNKLZSA-N 0 3 443.508 -0.477 20 0 IBADHN CN(CCN1CCN(C(=O)C(=O)NCc2cc(C(N)=O)no2)CC1)Cc1ccccc1 ZINC000483106615 1073438360 /nfs/dbraw/zinc/43/83/60/1073438360.db2.gz DUWMRPTZVZYHJR-UHFFFAOYSA-N 0 3 428.493 -0.334 20 0 IBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)CC1 ZINC000483193649 1074352225 /nfs/dbraw/zinc/35/22/25/1074352225.db2.gz HRYSFWBZNQDIAC-INIZCTEOSA-N 0 3 433.513 -0.488 20 0 IBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)CC1 ZINC000483193654 1074352084 /nfs/dbraw/zinc/35/20/84/1074352084.db2.gz HRYSFWBZNQDIAC-MRXNPFEDSA-N 0 3 433.513 -0.488 20 0 IBADHN COCCN(C(=O)CN1CCN(c2ccncc2OC)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000483202195 1073441068 /nfs/dbraw/zinc/44/10/68/1073441068.db2.gz OTSAKVDXUVSOEE-INIZCTEOSA-N 0 3 426.539 -0.126 20 0 IBADHN COCCN(C(=O)CN1CCN(c2ccncc2OC)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000483202200 1073440928 /nfs/dbraw/zinc/44/09/28/1073440928.db2.gz OTSAKVDXUVSOEE-MRXNPFEDSA-N 0 3 426.539 -0.126 20 0 IBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)CC1 ZINC000483202241 1073440954 /nfs/dbraw/zinc/44/09/54/1073440954.db2.gz SUROUYIZXOCEJP-KRWDZBQOSA-N 0 3 433.513 -0.488 20 0 IBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)CC1 ZINC000483202242 1073440891 /nfs/dbraw/zinc/44/08/91/1073440891.db2.gz SUROUYIZXOCEJP-QGZVFWFLSA-N 0 3 433.513 -0.488 20 0 IBADHN COc1cnccc1N1CCN(CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)CC1 ZINC000483202473 1073240382 /nfs/dbraw/zinc/24/03/82/1073240382.db2.gz PKHGOTOHIUVIIV-UHFFFAOYSA-N 0 3 446.552 -0.785 20 0 IBADHN COc1cnccc1N1CCN(CC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)CC1 ZINC000483214504 1073441513 /nfs/dbraw/zinc/44/15/13/1073441513.db2.gz OEAKOSLOFLKYRK-KRWDZBQOSA-N 0 3 437.566 -0.457 20 0 IBADHN COc1cnccc1N1CCN(CC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)CC1 ZINC000483214505 1073441533 /nfs/dbraw/zinc/44/15/33/1073441533.db2.gz OEAKOSLOFLKYRK-QGZVFWFLSA-N 0 3 437.566 -0.457 20 0 IBADHN C[C@H](CS(C)(=O)=O)N(C)C(=O)C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1 ZINC000483221020 1073441574 /nfs/dbraw/zinc/44/15/74/1073441574.db2.gz DTEYFRPBILTMPA-GFCCVEGCSA-N 0 3 426.495 -0.014 20 0 IBADHN C[C@@H](CS(C)(=O)=O)N(C)C(=O)C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1 ZINC000483221021 1073441559 /nfs/dbraw/zinc/44/15/59/1073441559.db2.gz DTEYFRPBILTMPA-LBPRGKRZSA-N 0 3 426.495 -0.014 20 0 IBADHN CC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)CN3CC[C@](C)(C(N)=O)C3)CC2)c1 ZINC000483276233 1073443244 /nfs/dbraw/zinc/44/32/44/1073443244.db2.gz DVASDMSVHFPOQD-FQEVSTJZSA-N 0 3 436.534 -0.081 20 0 IBADHN CC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)CN3CC[C@@](C)(C(N)=O)C3)CC2)c1 ZINC000483276237 1073442973 /nfs/dbraw/zinc/44/29/73/1073442973.db2.gz DVASDMSVHFPOQD-HXUWFJFHSA-N 0 3 436.534 -0.081 20 0 IBADHN CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)CN3CC[C@](C)(C(N)=O)C3)CC2)cc1 ZINC000483276800 1073443114 /nfs/dbraw/zinc/44/31/14/1073443114.db2.gz IDQNBVFHOOPHJS-FQEVSTJZSA-N 0 3 436.534 -0.081 20 0 IBADHN CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)CN3CC[C@@](C)(C(N)=O)C3)CC2)cc1 ZINC000483276801 1073443000 /nfs/dbraw/zinc/44/30/00/1073443000.db2.gz IDQNBVFHOOPHJS-HXUWFJFHSA-N 0 3 436.534 -0.081 20 0 IBADHN CCCCn1c(N)c(N(CCOC)C(=O)[C@H](C)N2CC[C@](C)(C(N)=O)C2)c(=O)[nH]c1=O ZINC000483278685 1073443025 /nfs/dbraw/zinc/44/30/25/1073443025.db2.gz CPHQRJLWYQDION-RBZFPXEDSA-N 0 3 438.529 -0.104 20 0 IBADHN CCCCn1c(N)c(N(CCOC)C(=O)[C@H](C)N2CC[C@@](C)(C(N)=O)C2)c(=O)[nH]c1=O ZINC000483278686 1073443062 /nfs/dbraw/zinc/44/30/62/1073443062.db2.gz CPHQRJLWYQDION-RNODOKPDSA-N 0 3 438.529 -0.104 20 0 IBADHN CCCCn1c(N)c(N(CCOC)C(=O)[C@@H](C)N2CC[C@](C)(C(N)=O)C2)c(=O)[nH]c1=O ZINC000483278687 1073443086 /nfs/dbraw/zinc/44/30/86/1073443086.db2.gz CPHQRJLWYQDION-XCLFUZPHSA-N 0 3 438.529 -0.104 20 0 IBADHN CCCCn1c(N)c(N(CCOC)C(=O)[C@@H](C)N2CC[C@@](C)(C(N)=O)C2)c(=O)[nH]c1=O ZINC000483278688 1073444029 /nfs/dbraw/zinc/44/40/29/1073444029.db2.gz CPHQRJLWYQDION-ZUOKHONESA-N 0 3 438.529 -0.104 20 0 IBADHN C[C@@]1(C(N)=O)CCN(CC(=O)N2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)C1 ZINC000483280000 1073443915 /nfs/dbraw/zinc/44/39/15/1073443915.db2.gz ISJIVNUAXGZVAT-GOSISDBHSA-N 0 3 430.477 -0.005 20 0 IBADHN C[C@]1(C(N)=O)CCN(CC(=O)N2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)C1 ZINC000483280004 1073443799 /nfs/dbraw/zinc/44/37/99/1073443799.db2.gz ISJIVNUAXGZVAT-SFHVURJKSA-N 0 3 430.477 -0.005 20 0 IBADHN CC(C)N(CCCNC(=O)CN1CCN(C(=O)[C@@H]2CCCN2C)CC1)S(C)(=O)=O ZINC000483480415 1073448389 /nfs/dbraw/zinc/44/83/89/1073448389.db2.gz XHTLSJWSEXEPAO-KRWDZBQOSA-N 0 3 431.603 -0.599 20 0 IBADHN CC(C)N(CCCNC(=O)CN1CCN(C(=O)[C@H]2CCCN2C)CC1)S(C)(=O)=O ZINC000483480416 1073448219 /nfs/dbraw/zinc/44/82/19/1073448219.db2.gz XHTLSJWSEXEPAO-QGZVFWFLSA-N 0 3 431.603 -0.599 20 0 IBADHN CC(C)CN(C(=O)CN1CCN(C(=O)[C@@H]2CCCN2C)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000483490564 1073448367 /nfs/dbraw/zinc/44/83/67/1073448367.db2.gz MTLFYTAGJFQCBA-MSOLQXFVSA-N 0 3 428.599 -0.104 20 0 IBADHN CC(C)CN(C(=O)CN1CCN(C(=O)[C@H]2CCCN2C)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000483490565 1073448342 /nfs/dbraw/zinc/44/83/42/1073448342.db2.gz MTLFYTAGJFQCBA-QZTJIDSGSA-N 0 3 428.599 -0.104 20 0 IBADHN CC(C)CN(C(=O)CN1CCN(C(=O)[C@@H]2CCCN2C)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000483490566 1073448478 /nfs/dbraw/zinc/44/84/78/1073448478.db2.gz MTLFYTAGJFQCBA-ROUUACIJSA-N 0 3 428.599 -0.104 20 0 IBADHN CC(C)CN(C(=O)CN1CCN(C(=O)[C@H]2CCCN2C)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000483490567 1073448262 /nfs/dbraw/zinc/44/82/62/1073448262.db2.gz MTLFYTAGJFQCBA-ZWKOTPCHSA-N 0 3 428.599 -0.104 20 0 IBADHN CN1CCC[C@@H]1C(=O)N1CCN(CC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)CC1 ZINC000483503507 1073449426 /nfs/dbraw/zinc/44/94/26/1073449426.db2.gz JPQGUFHEZDCTNZ-GOSISDBHSA-N 0 3 436.601 -0.716 20 0 IBADHN CN1CCC[C@H]1C(=O)N1CCN(CC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)CC1 ZINC000483503510 1073449183 /nfs/dbraw/zinc/44/91/83/1073449183.db2.gz JPQGUFHEZDCTNZ-SFHVURJKSA-N 0 3 436.601 -0.716 20 0 IBADHN CN1CCC[C@H]1C(=O)N1CCN(Cc2nnnn2-c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000483508186 1073449381 /nfs/dbraw/zinc/44/93/81/1073449381.db2.gz KIFPSEPNKOJPHY-KRWDZBQOSA-N 0 3 433.538 -0.196 20 0 IBADHN CN1CCC[C@@H]1C(=O)N1CCN(Cc2nnnn2-c2ccc(S(C)(=O)=O)cc2)CC1 ZINC000483508187 1073449476 /nfs/dbraw/zinc/44/94/76/1073449476.db2.gz KIFPSEPNKOJPHY-QGZVFWFLSA-N 0 3 433.538 -0.196 20 0 IBADHN COC(=O)Cn1ncc(NC(=O)C(=O)NC[C@@H](O)CN2CCc3ccccc3C2)c1C ZINC000483572358 1073452425 /nfs/dbraw/zinc/45/24/25/1073452425.db2.gz XLOGHJNQSQPAEF-QGZVFWFLSA-N 0 3 429.477 -0.162 20 0 IBADHN COCC(=O)N1CCN(C(=O)C(=O)Nc2ccc3oc(=O)n(CCN(C)C)c3c2)CC1 ZINC000483616954 1073453433 /nfs/dbraw/zinc/45/34/33/1073453433.db2.gz FIKDXURBTCIIQN-UHFFFAOYSA-N 0 3 433.465 -0.588 20 0 IBADHN CN(C)CCn1c(=O)oc2ccc(NC(=O)C(=O)NCC(=O)NCC(F)(F)F)cc21 ZINC000483723204 1073456873 /nfs/dbraw/zinc/45/68/73/1073456873.db2.gz PEPWLXOXPXISBA-UHFFFAOYSA-N 0 3 431.371 -0.111 20 0 IBADHN CCN1CCN([C@@H](C)CNC(=O)C(=O)Nc2cccc(S(=O)(=O)NC)c2C)CC1 ZINC000483807795 1073458243 /nfs/dbraw/zinc/45/82/43/1073458243.db2.gz MYVPCRPMKFURBX-AWEZNQCLSA-N 0 3 425.555 -0.016 20 0 IBADHN CCN1CCN([C@H](C)CNC(=O)C(=O)Nc2cccc(S(=O)(=O)NC)c2C)CC1 ZINC000483807798 1073458338 /nfs/dbraw/zinc/45/83/38/1073458338.db2.gz MYVPCRPMKFURBX-CQSZACIVSA-N 0 3 425.555 -0.016 20 0 IBADHN CCN1CCN(CCCNC(=O)C(=O)Nc2cccc(S(=O)(=O)NC)c2C)CC1 ZINC000483828948 1073458889 /nfs/dbraw/zinc/45/88/89/1073458889.db2.gz CDRPHKIGJKWPFA-UHFFFAOYSA-N 0 3 425.555 -0.015 20 0 IBADHN CNC(=O)COc1ccc(NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)c(C)c1 ZINC000483836399 1073459877 /nfs/dbraw/zinc/45/98/77/1073459877.db2.gz OGSKBZYKVSEBNW-UHFFFAOYSA-N 0 3 445.520 -0.175 20 0 IBADHN COCCN(CCN(C)C)C(=O)C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccn1 ZINC000483878353 1073459857 /nfs/dbraw/zinc/45/98/57/1073459857.db2.gz JULQJJSEKHOIGZ-UHFFFAOYSA-N 0 3 427.527 -0.159 20 0 IBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)CC1 ZINC000483886907 1073460547 /nfs/dbraw/zinc/46/05/47/1073460547.db2.gz NCQDXNYLOQBRDA-IBGZPJMESA-N 0 3 439.516 -0.177 20 0 IBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)CC1 ZINC000483886908 1073460509 /nfs/dbraw/zinc/46/05/09/1073460509.db2.gz NCQDXNYLOQBRDA-LJQANCHMSA-N 0 3 439.516 -0.177 20 0 IBADHN COCCCN(C)CCNC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccn1 ZINC000483900999 1073461252 /nfs/dbraw/zinc/46/12/52/1073461252.db2.gz XBCJUUHZEYJVQL-UHFFFAOYSA-N 0 3 427.527 -0.111 20 0 IBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)CCC(=O)N2CCN(c3ncccn3)CC2)CC1 ZINC000483918854 1073463507 /nfs/dbraw/zinc/46/35/07/1073463507.db2.gz XCPABJAHLDBSDI-GOSISDBHSA-N 0 3 443.552 -0.330 20 0 IBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)CCC(=O)N2CCN(c3ncccn3)CC2)CC1 ZINC000483918855 1073463334 /nfs/dbraw/zinc/46/33/34/1073463334.db2.gz XCPABJAHLDBSDI-SFHVURJKSA-N 0 3 443.552 -0.330 20 0 IBADHN COCCNS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)cc1 ZINC000483924780 1073461439 /nfs/dbraw/zinc/46/14/39/1073461439.db2.gz MJHJXAZRWOCFPQ-GOSISDBHSA-N 0 3 438.550 -0.010 20 0 IBADHN COCCNS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)cc1 ZINC000483924781 1073461384 /nfs/dbraw/zinc/46/13/84/1073461384.db2.gz MJHJXAZRWOCFPQ-SFHVURJKSA-N 0 3 438.550 -0.010 20 0 IBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)[C@H]2CCCCN2C(=O)c2ccc(=O)[nH]n2)CC1 ZINC000483926737 1073462011 /nfs/dbraw/zinc/46/20/11/1073462011.db2.gz QZWKUSUYWRCYTE-DLBZAZTESA-N 0 3 430.509 -0.058 20 0 IBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@H]2CCCCN2C(=O)c2ccc(=O)[nH]n2)CC1 ZINC000483926759 1073461966 /nfs/dbraw/zinc/46/19/66/1073461966.db2.gz QZWKUSUYWRCYTE-IAGOWNOFSA-N 0 3 430.509 -0.058 20 0 IBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H]2CCCCN2C(=O)c2ccc(=O)[nH]n2)CC1 ZINC000483926761 1073461876 /nfs/dbraw/zinc/46/18/76/1073461876.db2.gz QZWKUSUYWRCYTE-IRXDYDNUSA-N 0 3 430.509 -0.058 20 0 IBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@@H]2CCCCN2C(=O)c2ccc(=O)[nH]n2)CC1 ZINC000483926763 1073462040 /nfs/dbraw/zinc/46/20/40/1073462040.db2.gz QZWKUSUYWRCYTE-SJORKVTESA-N 0 3 430.509 -0.058 20 0 IBADHN COc1cc(C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)cc(OC)c1OCC(N)=O ZINC000483928931 1073461922 /nfs/dbraw/zinc/46/19/22/1073461922.db2.gz MVVCBPFLPYMXTN-HNNXBMFYSA-N 0 3 434.493 -0.054 20 0 IBADHN COc1cc(C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)cc(OC)c1OCC(N)=O ZINC000483928933 1073462922 /nfs/dbraw/zinc/46/29/22/1073462922.db2.gz MVVCBPFLPYMXTN-OAHLLOKOSA-N 0 3 434.493 -0.054 20 0 IBADHN Cc1nc(S(=O)(=O)NCCC(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)cn1C ZINC000483930077 1073462789 /nfs/dbraw/zinc/46/27/89/1073462789.db2.gz WPKSYGBJDOCHOX-HNNXBMFYSA-N 0 3 426.543 -0.838 20 0 IBADHN Cc1nc(S(=O)(=O)NCCC(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)cn1C ZINC000483930078 1073462915 /nfs/dbraw/zinc/46/29/15/1073462915.db2.gz WPKSYGBJDOCHOX-OAHLLOKOSA-N 0 3 426.543 -0.838 20 0 IBADHN Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000483933687 1073462856 /nfs/dbraw/zinc/46/28/56/1073462856.db2.gz ODPYDEHOUFNREE-GDBMZVCRSA-N 0 3 440.570 -0.531 20 0 IBADHN Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000483933688 1073462818 /nfs/dbraw/zinc/46/28/18/1073462818.db2.gz ODPYDEHOUFNREE-GOEBONIOSA-N 0 3 440.570 -0.531 20 0 IBADHN Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000483933689 1073462830 /nfs/dbraw/zinc/46/28/30/1073462830.db2.gz ODPYDEHOUFNREE-HOCLYGCPSA-N 0 3 440.570 -0.531 20 0 IBADHN Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000483933690 1073463634 /nfs/dbraw/zinc/46/36/34/1073463634.db2.gz ODPYDEHOUFNREE-ZBFHGGJFSA-N 0 3 440.570 -0.531 20 0 IBADHN Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000483934092 1073462767 /nfs/dbraw/zinc/46/27/67/1073462767.db2.gz PFODZJALUXZTMA-DZGCQCFKSA-N 0 3 427.527 -0.277 20 0 IBADHN Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000483934093 1073462870 /nfs/dbraw/zinc/46/28/70/1073462870.db2.gz PFODZJALUXZTMA-ZFWWWQNUSA-N 0 3 427.527 -0.277 20 0 IBADHN COCCNS(=O)(=O)c1c[nH]c(C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)c1 ZINC000483935166 1073463425 /nfs/dbraw/zinc/46/34/25/1073463425.db2.gz RXGWNVDAISMAMS-INIZCTEOSA-N 0 3 427.527 -0.682 20 0 IBADHN COCCNS(=O)(=O)c1c[nH]c(C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)c1 ZINC000483935171 1073463492 /nfs/dbraw/zinc/46/34/92/1073463492.db2.gz RXGWNVDAISMAMS-MRXNPFEDSA-N 0 3 427.527 -0.682 20 0 IBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)Cn2cc(Br)c(=O)[nH]c2=O)CC1 ZINC000484072381 1073468451 /nfs/dbraw/zinc/46/84/51/1073468451.db2.gz OKGIDMLGFWDIIL-GFCCVEGCSA-N 0 3 428.287 -0.524 20 0 IBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)Cn2cc(Br)c(=O)[nH]c2=O)CC1 ZINC000484072446 1073468466 /nfs/dbraw/zinc/46/84/66/1073468466.db2.gz OKGIDMLGFWDIIL-LBPRGKRZSA-N 0 3 428.287 -0.524 20 0 IBADHN COc1c(F)cc(CC(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)cc1S(N)(=O)=O ZINC000484082731 1073468472 /nfs/dbraw/zinc/46/84/72/1073468472.db2.gz ICMVSBAHRXPWLF-HNNXBMFYSA-N 0 3 442.513 -0.211 20 0 IBADHN COc1c(F)cc(CC(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)cc1S(N)(=O)=O ZINC000484082732 1073468365 /nfs/dbraw/zinc/46/83/65/1073468365.db2.gz ICMVSBAHRXPWLF-OAHLLOKOSA-N 0 3 442.513 -0.211 20 0 IBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)c2ccc3c(c2)S(=O)(=O)N=C2NC=NN23)CC1 ZINC000484089107 1073469140 /nfs/dbraw/zinc/46/91/40/1073469140.db2.gz XKAXHLDJASBYNY-HNNXBMFYSA-N 0 3 445.505 -0.524 20 0 IBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)c2ccc3c(c2)S(=O)(=O)N=C2NC=NN23)CC1 ZINC000484089108 1073469116 /nfs/dbraw/zinc/46/91/16/1073469116.db2.gz XKAXHLDJASBYNY-OAHLLOKOSA-N 0 3 445.505 -0.524 20 0 IBADHN CNC(=O)COc1ccc(NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)c(C)c1 ZINC000484090797 1073469897 /nfs/dbraw/zinc/46/98/97/1073469897.db2.gz FEIGWBPUYLJMAH-GOSISDBHSA-N 0 3 445.520 -0.177 20 0 IBADHN CNC(=O)COc1ccc(NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)c(C)c1 ZINC000484090798 1073469952 /nfs/dbraw/zinc/46/99/52/1073469952.db2.gz FEIGWBPUYLJMAH-SFHVURJKSA-N 0 3 445.520 -0.177 20 0 IBADHN COCCNS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)c1 ZINC000484093824 1073469844 /nfs/dbraw/zinc/46/98/44/1073469844.db2.gz CUFYIMKINJOEBW-GOSISDBHSA-N 0 3 438.550 -0.010 20 0 IBADHN COCCNS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)c1 ZINC000484093826 1073470014 /nfs/dbraw/zinc/47/00/14/1073470014.db2.gz CUFYIMKINJOEBW-SFHVURJKSA-N 0 3 438.550 -0.010 20 0 IBADHN Cc1cc(C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)nc2c1c(=O)n(C)c(=O)n2C ZINC000484104950 1073470606 /nfs/dbraw/zinc/47/06/06/1073470606.db2.gz CVRIMHYLEOWIDU-HNNXBMFYSA-N 0 3 428.493 -0.681 20 0 IBADHN Cc1cc(C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)nc2c1c(=O)n(C)c(=O)n2C ZINC000484104967 1073470523 /nfs/dbraw/zinc/47/05/23/1073470523.db2.gz CVRIMHYLEOWIDU-OAHLLOKOSA-N 0 3 428.493 -0.681 20 0 IBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)CCN2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 ZINC000484105415 1073470649 /nfs/dbraw/zinc/47/06/49/1073470649.db2.gz GOHCIXYMEKMXLD-MOPGFXCFSA-N 0 3 435.569 -0.535 20 0 IBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)CCN2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 ZINC000484105417 1073470572 /nfs/dbraw/zinc/47/05/72/1073470572.db2.gz GOHCIXYMEKMXLD-OALUTQOASA-N 0 3 435.569 -0.535 20 0 IBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)CCN2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 ZINC000484105420 1073470701 /nfs/dbraw/zinc/47/07/01/1073470701.db2.gz GOHCIXYMEKMXLD-RBUKOAKNSA-N 0 3 435.569 -0.535 20 0 IBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)CCN2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 ZINC000484105423 1073470594 /nfs/dbraw/zinc/47/05/94/1073470594.db2.gz GOHCIXYMEKMXLD-RTBURBONSA-N 0 3 435.569 -0.535 20 0 IBADHN C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)c[n-]2)CC1 ZINC000484123408 1073471358 /nfs/dbraw/zinc/47/13/58/1073471358.db2.gz PRVAPXWFFALCLC-KRWDZBQOSA-N 0 3 439.538 -0.586 20 0 IBADHN C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)c[n-]2)CC1 ZINC000484123408 1073471353 /nfs/dbraw/zinc/47/13/53/1073471353.db2.gz PRVAPXWFFALCLC-KRWDZBQOSA-N 0 3 439.538 -0.586 20 0 IBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)c[nH]2)CC1 ZINC000484123408 1073471344 /nfs/dbraw/zinc/47/13/44/1073471344.db2.gz PRVAPXWFFALCLC-KRWDZBQOSA-N 0 3 439.538 -0.586 20 0 IBADHN C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)c[n-]2)CC1 ZINC000484123409 1073471382 /nfs/dbraw/zinc/47/13/82/1073471382.db2.gz PRVAPXWFFALCLC-QGZVFWFLSA-N 0 3 439.538 -0.586 20 0 IBADHN C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)c[n-]2)CC1 ZINC000484123409 1073471377 /nfs/dbraw/zinc/47/13/77/1073471377.db2.gz PRVAPXWFFALCLC-QGZVFWFLSA-N 0 3 439.538 -0.586 20 0 IBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)c[nH]2)CC1 ZINC000484123409 1073471372 /nfs/dbraw/zinc/47/13/72/1073471372.db2.gz PRVAPXWFFALCLC-QGZVFWFLSA-N 0 3 439.538 -0.586 20 0 IBADHN Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1 ZINC000484158899 1073472068 /nfs/dbraw/zinc/47/20/68/1073472068.db2.gz KREASJSQFWKNCO-UHFFFAOYSA-N 0 3 443.504 -0.185 20 0 IBADHN Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 ZINC000484168725 1073472804 /nfs/dbraw/zinc/47/28/04/1073472804.db2.gz KHQPHZWNZGTMKM-UHFFFAOYSA-N 0 3 431.537 -0.002 20 0 IBADHN CCN1CCN(CCNC(=O)C(=O)Nc2ccccc2OCC(=O)N2CCOCC2)CC1 ZINC000484172174 1073472915 /nfs/dbraw/zinc/47/29/15/1073472915.db2.gz VPZVBWZLZMBVGD-UHFFFAOYSA-N 0 3 447.536 -0.384 20 0 IBADHN Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000484183843 1073473559 /nfs/dbraw/zinc/47/35/59/1073473559.db2.gz AUZJPPYQMJUTDX-UHFFFAOYSA-N 0 3 445.520 -0.475 20 0 IBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)Nc2cccc(CS(C)(=O)=O)c2)CC1 ZINC000484362142 1073479757 /nfs/dbraw/zinc/47/97/57/1073479757.db2.gz BFSSSBPEYXOEAF-KRWDZBQOSA-N 0 3 436.534 -0.065 20 0 IBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)Nc2cccc(CS(C)(=O)=O)c2)CC1 ZINC000484362143 1073479911 /nfs/dbraw/zinc/47/99/11/1073479911.db2.gz BFSSSBPEYXOEAF-QGZVFWFLSA-N 0 3 436.534 -0.065 20 0 IBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)Nc2ccc3c(c2)S(=O)(=O)CC3)CC1 ZINC000484362144 1073479943 /nfs/dbraw/zinc/47/99/43/1073479943.db2.gz BFTPBTBXRVUOCL-INIZCTEOSA-N 0 3 434.518 -0.280 20 0 IBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)Nc2ccc3c(c2)S(=O)(=O)CC3)CC1 ZINC000484362145 1073479852 /nfs/dbraw/zinc/47/98/52/1073479852.db2.gz BFTPBTBXRVUOCL-MRXNPFEDSA-N 0 3 434.518 -0.280 20 0 IBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)Nc2cccnc2N2CCOCC2)CC1 ZINC000484362640 1073479290 /nfs/dbraw/zinc/47/92/90/1073479290.db2.gz CDROXMMGKYSXRV-KRWDZBQOSA-N 0 3 430.509 -0.378 20 0 IBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)Nc2cccnc2N2CCOCC2)CC1 ZINC000484362641 1073479806 /nfs/dbraw/zinc/47/98/06/1073479806.db2.gz CDROXMMGKYSXRV-QGZVFWFLSA-N 0 3 430.509 -0.378 20 0 IBADHN Cc1nnnn1-c1cccc(NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)c1 ZINC000484362654 1073479870 /nfs/dbraw/zinc/47/98/70/1073479870.db2.gz CHHNFCZBMSUNKG-KRWDZBQOSA-N 0 3 426.481 -0.326 20 0 IBADHN Cc1nnnn1-c1cccc(NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)c1 ZINC000484362655 1073479925 /nfs/dbraw/zinc/47/99/25/1073479925.db2.gz CHHNFCZBMSUNKG-QGZVFWFLSA-N 0 3 426.481 -0.326 20 0 IBADHN Cc1nnnn1-c1cc(NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)ccc1F ZINC000484363970 1073479977 /nfs/dbraw/zinc/47/99/77/1073479977.db2.gz FLCROTPMKNCSCM-INIZCTEOSA-N 0 3 444.471 -0.187 20 0 IBADHN Cc1nnnn1-c1cc(NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)ccc1F ZINC000484363977 1073480009 /nfs/dbraw/zinc/48/00/09/1073480009.db2.gz FLCROTPMKNCSCM-MRXNPFEDSA-N 0 3 444.471 -0.187 20 0 IBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)CC1 ZINC000484364568 1073479884 /nfs/dbraw/zinc/47/98/84/1073479884.db2.gz GIZFOBVAVHAJTP-INIZCTEOSA-N 0 3 428.493 -0.420 20 0 IBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)CC1 ZINC000484364574 1073479788 /nfs/dbraw/zinc/47/97/88/1073479788.db2.gz GIZFOBVAVHAJTP-MRXNPFEDSA-N 0 3 428.493 -0.420 20 0 IBADHN CCOC(=O)C(C)(C)n1cc(NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)cn1 ZINC000484365159 1073480697 /nfs/dbraw/zinc/48/06/97/1073480697.db2.gz HEENPUURKLVHPL-INIZCTEOSA-N 0 3 448.524 -0.115 20 0 IBADHN CCOC(=O)C(C)(C)n1cc(NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)cn1 ZINC000484365168 1073480789 /nfs/dbraw/zinc/48/07/89/1073480789.db2.gz HEENPUURKLVHPL-MRXNPFEDSA-N 0 3 448.524 -0.115 20 0 IBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)Nc2ccccc2OCCC(N)=O)CC1 ZINC000484365354 1073480879 /nfs/dbraw/zinc/48/08/79/1073480879.db2.gz DOQGUXXGNBXCQE-INIZCTEOSA-N 0 3 431.493 -0.356 20 0 IBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)Nc2ccccc2OCCC(N)=O)CC1 ZINC000484365356 1073480843 /nfs/dbraw/zinc/48/08/43/1073480843.db2.gz DOQGUXXGNBXCQE-MRXNPFEDSA-N 0 3 431.493 -0.356 20 0 IBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)Nc2ccc(N3CCOCC3)nc2)CC1 ZINC000484365740 1073479902 /nfs/dbraw/zinc/47/99/02/1073479902.db2.gz HREVEQMIPYCRAR-KRWDZBQOSA-N 0 3 430.509 -0.378 20 0 IBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)Nc2ccc(N3CCOCC3)nc2)CC1 ZINC000484365742 1073480736 /nfs/dbraw/zinc/48/07/36/1073480736.db2.gz HREVEQMIPYCRAR-QGZVFWFLSA-N 0 3 430.509 -0.378 20 0 IBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)Nc2ccc(N3CCNC3=O)cc2)CC1 ZINC000484367160 1073480762 /nfs/dbraw/zinc/48/07/62/1073480762.db2.gz JXQFZJGEFFBSBX-KRWDZBQOSA-N 0 3 428.493 -0.080 20 0 IBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)Nc2ccc(N3CCNC3=O)cc2)CC1 ZINC000484367168 1073480743 /nfs/dbraw/zinc/48/07/43/1073480743.db2.gz JXQFZJGEFFBSBX-QGZVFWFLSA-N 0 3 428.493 -0.080 20 0 IBADHN CCNC(=O)COc1ccc(NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)cc1 ZINC000484367224 1073480728 /nfs/dbraw/zinc/48/07/28/1073480728.db2.gz GPQURIVCEZFMMJ-GOSISDBHSA-N 0 3 445.520 -0.095 20 0 IBADHN CCNC(=O)COc1ccc(NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)cc1 ZINC000484367225 1073480773 /nfs/dbraw/zinc/48/07/73/1073480773.db2.gz GPQURIVCEZFMMJ-SFHVURJKSA-N 0 3 445.520 -0.095 20 0 IBADHN Cc1ccc(NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)cc1S(N)(=O)=O ZINC000484367299 1073480807 /nfs/dbraw/zinc/48/08/07/1073480807.db2.gz BZQGIVBKWMIATH-HNNXBMFYSA-N 0 3 437.522 -0.654 20 0 IBADHN Cc1ccc(NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)cc1S(N)(=O)=O ZINC000484367300 1073480856 /nfs/dbraw/zinc/48/08/56/1073480856.db2.gz BZQGIVBKWMIATH-OAHLLOKOSA-N 0 3 437.522 -0.654 20 0 IBADHN CNC(=O)c1ccc(OC)c(NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)c1 ZINC000484369362 1073480798 /nfs/dbraw/zinc/48/07/98/1073480798.db2.gz KSETVWDEBUQNRG-INIZCTEOSA-N 0 3 431.493 -0.242 20 0 IBADHN CNC(=O)c1ccc(OC)c(NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)c1 ZINC000484369365 1073480753 /nfs/dbraw/zinc/48/07/53/1073480753.db2.gz KSETVWDEBUQNRG-MRXNPFEDSA-N 0 3 431.493 -0.242 20 0 IBADHN Cc1ccc(NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)cc1-n1cnnn1 ZINC000484369711 1073480666 /nfs/dbraw/zinc/48/06/66/1073480666.db2.gz LCZGNNIZJGQLIJ-INIZCTEOSA-N 0 3 426.481 -0.326 20 0 IBADHN Cc1ccc(NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)cc1-n1cnnn1 ZINC000484369714 1073480682 /nfs/dbraw/zinc/48/06/82/1073480682.db2.gz LCZGNNIZJGQLIJ-MRXNPFEDSA-N 0 3 426.481 -0.326 20 0 IBADHN CN(C)C(=O)COc1cccc(NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)c1 ZINC000484371280 1073480827 /nfs/dbraw/zinc/48/08/27/1073480827.db2.gz NOQODZHMTJXZTI-GOSISDBHSA-N 0 3 445.520 -0.143 20 0 IBADHN CN(C)C(=O)COc1cccc(NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)c1 ZINC000484371283 1073481619 /nfs/dbraw/zinc/48/16/19/1073481619.db2.gz NOQODZHMTJXZTI-SFHVURJKSA-N 0 3 445.520 -0.143 20 0 IBADHN CN(C)C(=O)COc1ccc(NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)cc1 ZINC000484371951 1073481663 /nfs/dbraw/zinc/48/16/63/1073481663.db2.gz OPJDHSPQUNCMQR-GOSISDBHSA-N 0 3 445.520 -0.143 20 0 IBADHN CN(C)C(=O)COc1ccc(NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)cc1 ZINC000484371952 1073481418 /nfs/dbraw/zinc/48/14/18/1073481418.db2.gz OPJDHSPQUNCMQR-SFHVURJKSA-N 0 3 445.520 -0.143 20 0 IBADHN CCNC(=O)COc1cccc(NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)c1 ZINC000484371993 1073481579 /nfs/dbraw/zinc/48/15/79/1073481579.db2.gz QYKHWBIPEKTDJJ-GOSISDBHSA-N 0 3 445.520 -0.095 20 0 IBADHN CCNC(=O)COc1cccc(NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)c1 ZINC000484371994 1073481678 /nfs/dbraw/zinc/48/16/78/1073481678.db2.gz QYKHWBIPEKTDJJ-SFHVURJKSA-N 0 3 445.520 -0.095 20 0 IBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)Nc2cc(F)cc(S(N)(=O)=O)c2)CC1 ZINC000484372043 1073481598 /nfs/dbraw/zinc/48/15/98/1073481598.db2.gz RFSAKZAASVYGGK-HNNXBMFYSA-N 0 3 441.485 -0.823 20 0 IBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)Nc2cc(F)cc(S(N)(=O)=O)c2)CC1 ZINC000484372044 1073481373 /nfs/dbraw/zinc/48/13/73/1073481373.db2.gz RFSAKZAASVYGGK-OAHLLOKOSA-N 0 3 441.485 -0.823 20 0 IBADHN CNC(=O)[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)c2ccccc2O1 ZINC000484372479 1073481509 /nfs/dbraw/zinc/48/15/09/1073481509.db2.gz PDZURJJBWFHBBC-AEFFLSMTSA-N 0 3 443.504 -0.708 20 0 IBADHN CNC(=O)[C@H]1CN(C(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)c2ccccc2O1 ZINC000484372631 1073481556 /nfs/dbraw/zinc/48/15/56/1073481556.db2.gz PDZURJJBWFHBBC-FUHWJXTLSA-N 0 3 443.504 -0.708 20 0 IBADHN CNC(=O)[C@H]1CN(C(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)c2ccccc2O1 ZINC000484372635 1073481448 /nfs/dbraw/zinc/48/14/48/1073481448.db2.gz PDZURJJBWFHBBC-SJLPKXTDSA-N 0 3 443.504 -0.708 20 0 IBADHN CNC(=O)[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)c2ccccc2O1 ZINC000484372639 1073481477 /nfs/dbraw/zinc/48/14/77/1073481477.db2.gz PDZURJJBWFHBBC-WMZOPIPTSA-N 0 3 443.504 -0.708 20 0 IBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)Nc2cc(S(C)(=O)=O)ccc2F)CC1 ZINC000484377895 1073481637 /nfs/dbraw/zinc/48/16/37/1073481637.db2.gz RDDKGYKAURURME-INIZCTEOSA-N 0 3 440.497 -0.067 20 0 IBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)Nc2cc(S(C)(=O)=O)ccc2F)CC1 ZINC000484377896 1073481307 /nfs/dbraw/zinc/48/13/07/1073481307.db2.gz RDDKGYKAURURME-MRXNPFEDSA-N 0 3 440.497 -0.067 20 0 IBADHN COC(=O)COc1ccc(NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)cc1 ZINC000484379177 1073482229 /nfs/dbraw/zinc/48/22/29/1073482229.db2.gz ZSBDXBQKCSCBAQ-KRWDZBQOSA-N 0 3 432.477 -0.058 20 0 IBADHN COC(=O)COc1ccc(NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)cc1 ZINC000484379178 1073482213 /nfs/dbraw/zinc/48/22/13/1073482213.db2.gz ZSBDXBQKCSCBAQ-QGZVFWFLSA-N 0 3 432.477 -0.058 20 0 IBADHN CNC(=O)COc1ccc(NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)cc1 ZINC000484383975 1073484323 /nfs/dbraw/zinc/48/43/23/1073484323.db2.gz IWMTYZLBAWLGSO-KRWDZBQOSA-N 0 3 431.493 -0.485 20 0 IBADHN CNC(=O)COc1ccc(NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)cc1 ZINC000484383977 1073484466 /nfs/dbraw/zinc/48/44/66/1073484466.db2.gz IWMTYZLBAWLGSO-QGZVFWFLSA-N 0 3 431.493 -0.485 20 0 IBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)Nc2ccc3c(c2)N(C)C(=O)CO3)CC1 ZINC000484387613 1073482192 /nfs/dbraw/zinc/48/21/92/1073482192.db2.gz NSGZDJKOAHFEOW-HNNXBMFYSA-N 0 3 429.477 -0.255 20 0 IBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)Nc2ccc3c(c2)N(C)C(=O)CO3)CC1 ZINC000484387614 1073482163 /nfs/dbraw/zinc/48/21/63/1073482163.db2.gz NSGZDJKOAHFEOW-OAHLLOKOSA-N 0 3 429.477 -0.255 20 0 IBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)Nc2cccc(N3CCNC3=O)c2)CC1 ZINC000484387876 1073482858 /nfs/dbraw/zinc/48/28/58/1073482858.db2.gz KYPNVCQPKKVOMI-KRWDZBQOSA-N 0 3 428.493 -0.080 20 0 IBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)Nc2cccc(N3CCNC3=O)c2)CC1 ZINC000484387878 1073483064 /nfs/dbraw/zinc/48/30/64/1073483064.db2.gz KYPNVCQPKKVOMI-QGZVFWFLSA-N 0 3 428.493 -0.080 20 0 IBADHN CNS(=O)(=O)c1cccc(NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)c1 ZINC000484388375 1073482119 /nfs/dbraw/zinc/48/21/19/1073482119.db2.gz LTBKLUCYGGMHEZ-INIZCTEOSA-N 0 3 437.522 -0.702 20 0 IBADHN CNS(=O)(=O)c1cccc(NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)c1 ZINC000484388376 1073482287 /nfs/dbraw/zinc/48/22/87/1073482287.db2.gz LTBKLUCYGGMHEZ-MRXNPFEDSA-N 0 3 437.522 -0.702 20 0 IBADHN COc1ccc(NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)cc1OCC(N)=O ZINC000484388411 1073482274 /nfs/dbraw/zinc/48/22/74/1073482274.db2.gz MDJMULRQAGUBGT-HNNXBMFYSA-N 0 3 447.492 -0.737 20 0 IBADHN COc1ccc(NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)cc1OCC(N)=O ZINC000484388412 1073482147 /nfs/dbraw/zinc/48/21/47/1073482147.db2.gz MDJMULRQAGUBGT-OAHLLOKOSA-N 0 3 447.492 -0.737 20 0 IBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)CC1 ZINC000484388975 1073482935 /nfs/dbraw/zinc/48/29/35/1073482935.db2.gz NFFKAPDGKKIIKM-INIZCTEOSA-N 0 3 427.461 -0.384 20 0 IBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)CC1 ZINC000484388984 1073482974 /nfs/dbraw/zinc/48/29/74/1073482974.db2.gz NFFKAPDGKKIIKM-MRXNPFEDSA-N 0 3 427.461 -0.384 20 0 IBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)Nc2ccccc2CS(C)(=O)=O)CC1 ZINC000484389047 1073483036 /nfs/dbraw/zinc/48/30/36/1073483036.db2.gz MKGWNFMBEYNMGX-KRWDZBQOSA-N 0 3 436.534 -0.065 20 0 IBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)Nc2ccccc2CS(C)(=O)=O)CC1 ZINC000484389048 1073483103 /nfs/dbraw/zinc/48/31/03/1073483103.db2.gz MKGWNFMBEYNMGX-QGZVFWFLSA-N 0 3 436.534 -0.065 20 0 IBADHN COc1ccc(NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)cc1-n1cnnn1 ZINC000484389160 1073483118 /nfs/dbraw/zinc/48/31/18/1073483118.db2.gz ABKRIIOZHDPCEX-HNNXBMFYSA-N 0 3 442.480 -0.626 20 0 IBADHN COc1ccc(NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)cc1-n1cnnn1 ZINC000484389165 1073483081 /nfs/dbraw/zinc/48/30/81/1073483081.db2.gz ABKRIIOZHDPCEX-OAHLLOKOSA-N 0 3 442.480 -0.626 20 0 IBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)Nc2ccc(CS(C)(=O)=O)cc2)CC1 ZINC000484394084 1073483629 /nfs/dbraw/zinc/48/36/29/1073483629.db2.gz HKXHTQXPGWETMV-KRWDZBQOSA-N 0 3 436.534 -0.065 20 0 IBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)Nc2ccc(CS(C)(=O)=O)cc2)CC1 ZINC000484394086 1073483564 /nfs/dbraw/zinc/48/35/64/1073483564.db2.gz HKXHTQXPGWETMV-QGZVFWFLSA-N 0 3 436.534 -0.065 20 0 IBADHN COC(=O)COc1cccc(NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)c1 ZINC000484398347 1073483734 /nfs/dbraw/zinc/48/37/34/1073483734.db2.gz MRLPTFKDNKWLRM-KRWDZBQOSA-N 0 3 432.477 -0.058 20 0 IBADHN COC(=O)COc1cccc(NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)c1 ZINC000484398348 1073483589 /nfs/dbraw/zinc/48/35/89/1073483589.db2.gz MRLPTFKDNKWLRM-QGZVFWFLSA-N 0 3 432.477 -0.058 20 0 IBADHN CNC(=O)CCOc1ccc(NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)cc1 ZINC000484402657 1073484382 /nfs/dbraw/zinc/48/43/82/1073484382.db2.gz SDEQONDOQJQTNY-GOSISDBHSA-N 0 3 445.520 -0.095 20 0 IBADHN CNC(=O)CCOc1ccc(NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)cc1 ZINC000484402658 1073484424 /nfs/dbraw/zinc/48/44/24/1073484424.db2.gz SDEQONDOQJQTNY-SFHVURJKSA-N 0 3 445.520 -0.095 20 0 IBADHN CN(C)CC(=O)Nc1ccc(NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)cc1 ZINC000484406368 1073484278 /nfs/dbraw/zinc/48/42/78/1073484278.db2.gz MKZMIFXOKMLBBF-GOSISDBHSA-N 0 3 444.536 -0.110 20 0 IBADHN CN(C)CC(=O)Nc1ccc(NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)cc1 ZINC000484406376 1073484252 /nfs/dbraw/zinc/48/42/52/1073484252.db2.gz MKZMIFXOKMLBBF-SFHVURJKSA-N 0 3 444.536 -0.110 20 0 IBADHN O=S(=O)(c1ccc(OCCN(CCO)CCN2CCOCC2)cc1)N1CCOCC1 ZINC000484408309 1073252041 /nfs/dbraw/zinc/25/20/41/1073252041.db2.gz JYMFWRODBMAGOA-UHFFFAOYSA-N 0 3 443.566 -0.287 20 0 IBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)Nc2ccc(OCCC(N)=O)cc2)CC1 ZINC000484408703 1073484963 /nfs/dbraw/zinc/48/49/63/1073484963.db2.gz QNFNVLLORRQGML-KRWDZBQOSA-N 0 3 431.493 -0.356 20 0 IBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)Nc2ccc(OCCC(N)=O)cc2)CC1 ZINC000484408705 1073484994 /nfs/dbraw/zinc/48/49/94/1073484994.db2.gz QNFNVLLORRQGML-QGZVFWFLSA-N 0 3 431.493 -0.356 20 0 IBADHN CCOC(=O)C(C)(C)n1cc(NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)cn1 ZINC000484569726 1073492298 /nfs/dbraw/zinc/49/22/98/1073492298.db2.gz BHELJNWSNQOWDT-UHFFFAOYSA-N 0 3 448.524 -0.114 20 0 IBADHN CNS(=O)(=O)c1cccc(NC(=O)C(=O)NC[C@H](C)CN2CCN(C)CC2)c1C ZINC000484579853 1073493709 /nfs/dbraw/zinc/49/37/09/1073493709.db2.gz BOBYQWMQAUCUEA-AWEZNQCLSA-N 0 3 425.555 -0.159 20 0 IBADHN CNS(=O)(=O)c1cccc(NC(=O)C(=O)NC[C@@H](C)CN2CCN(C)CC2)c1C ZINC000484579854 1073493664 /nfs/dbraw/zinc/49/36/64/1073493664.db2.gz BOBYQWMQAUCUEA-CQSZACIVSA-N 0 3 425.555 -0.159 20 0 IBADHN COc1cccc(CN(CCN(C)C)C(=O)C(=O)Nc2ncn(CC(=O)N(C)C)n2)c1 ZINC000484604540 1073495036 /nfs/dbraw/zinc/49/50/36/1073495036.db2.gz RQCIVXGETWIRCE-UHFFFAOYSA-N 0 3 431.497 -0.096 20 0 IBADHN CCO[C@H]1COCC[C@H]1NCC(=O)N1CCN(S(=O)(=O)c2c(C)noc2C)CC1 ZINC000484650672 1073496475 /nfs/dbraw/zinc/49/64/75/1073496475.db2.gz MZZGBPYIVQALKK-CVEARBPZSA-N 0 3 430.527 -0.092 20 0 IBADHN CCO[C@H]1COCC[C@@H]1NCC(=O)N1CCN(S(=O)(=O)c2c(C)noc2C)CC1 ZINC000484650678 1073496390 /nfs/dbraw/zinc/49/63/90/1073496390.db2.gz MZZGBPYIVQALKK-HOTGVXAUSA-N 0 3 430.527 -0.092 20 0 IBADHN CCO[C@@H]1COCC[C@H]1NCC(=O)N1CCN(S(=O)(=O)c2c(C)noc2C)CC1 ZINC000484650680 1073496451 /nfs/dbraw/zinc/49/64/51/1073496451.db2.gz MZZGBPYIVQALKK-HZPDHXFCSA-N 0 3 430.527 -0.092 20 0 IBADHN CCO[C@@H]1COCC[C@@H]1NCC(=O)N1CCN(S(=O)(=O)c2c(C)noc2C)CC1 ZINC000484650682 1073496485 /nfs/dbraw/zinc/49/64/85/1073496485.db2.gz MZZGBPYIVQALKK-JKSUJKDBSA-N 0 3 430.527 -0.092 20 0 IBADHN CN(CC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)C1(CO)CCOCC1 ZINC000484653970 1073496408 /nfs/dbraw/zinc/49/64/08/1073496408.db2.gz KWDUKZHHJOIGBJ-UHFFFAOYSA-N 0 3 441.550 -0.203 20 0 IBADHN CN(CC(=O)NCc1ccccc1S(=O)(=O)N1CCOCC1)C1(CO)CCOCC1 ZINC000484656042 1073496338 /nfs/dbraw/zinc/49/63/38/1073496338.db2.gz OIDUNPZLJKNICI-UHFFFAOYSA-N 0 3 441.550 -0.203 20 0 IBADHN Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)CN(C)C2(CO)CCOCC2)CC1 ZINC000484678916 1073497085 /nfs/dbraw/zinc/49/70/85/1073497085.db2.gz IKMRXHCCKPEUJV-UHFFFAOYSA-N 0 3 430.527 -0.402 20 0 IBADHN CN(CC(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1)C1(CO)CCOCC1 ZINC000484680869 1073497197 /nfs/dbraw/zinc/49/71/97/1073497197.db2.gz QISPLHGCSUGDLT-IBGZPJMESA-N 0 3 433.505 -0.030 20 0 IBADHN CN(CC(=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1)C1(CO)CCOCC1 ZINC000484680875 1073497223 /nfs/dbraw/zinc/49/72/23/1073497223.db2.gz QISPLHGCSUGDLT-LJQANCHMSA-N 0 3 433.505 -0.030 20 0 IBADHN C[C@@H]1CN(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)C[C@H]1CO ZINC000484714128 1073497953 /nfs/dbraw/zinc/49/79/53/1073497953.db2.gz KWGXCCRQFBZPQB-CVEARBPZSA-N 0 3 439.534 -0.149 20 0 IBADHN CCc1nnc(C2CCN(CC(=O)N3CCN(CC(=O)N4CCOCC4)CC3)CC2)[nH]1 ZINC000484727502 1073257248 /nfs/dbraw/zinc/25/72/48/1073257248.db2.gz WHPIZPKPOPTKIW-UHFFFAOYSA-N 0 3 433.557 -0.451 20 0 IBADHN CCc1n[nH]c(C2CCN(CC(=O)N3CCN(CC(=O)N4CCOCC4)CC3)CC2)n1 ZINC000484727502 1073257242 /nfs/dbraw/zinc/25/72/42/1073257242.db2.gz WHPIZPKPOPTKIW-UHFFFAOYSA-N 0 3 433.557 -0.451 20 0 IBADHN CCc1nc(C2CCN(CC(=O)N3CCN(CC(=O)N4CCOCC4)CC3)CC2)n[nH]1 ZINC000484727502 1073257238 /nfs/dbraw/zinc/25/72/38/1073257238.db2.gz WHPIZPKPOPTKIW-UHFFFAOYSA-N 0 3 433.557 -0.451 20 0 IBADHN O=C(CN1CCN(C(=O)CN2CCC[C@@H](CN3CCOCC3)C2)CC1)N1CCOCC1 ZINC000484943809 1072522662 /nfs/dbraw/zinc/52/26/62/1072522662.db2.gz GHFDMJSPOLOCOL-FQEVSTJZSA-N 0 3 437.585 -0.966 20 0 IBADHN O=C(CN1CCN(C(=O)CN2CCC[C@H](CN3CCOCC3)C2)CC1)N1CCOCC1 ZINC000484943814 1073364257 /nfs/dbraw/zinc/36/42/57/1073364257.db2.gz GHFDMJSPOLOCOL-HXUWFJFHSA-N 0 3 437.585 -0.966 20 0 IBADHN COc1cnccc1N1CCN(C(=O)C(=O)Nc2cnn(CCN3CCOCC3)c2)CC1 ZINC000485068391 1073511984 /nfs/dbraw/zinc/51/19/84/1073511984.db2.gz WFTDZMBWXAKIFR-UHFFFAOYSA-N 0 3 443.508 -0.094 20 0 IBADHN COc1cnccc1N1CCN(C(=O)C(=O)Nc2ccn(CCN3CCOCC3)n2)CC1 ZINC000485085003 1073512616 /nfs/dbraw/zinc/51/26/16/1073512616.db2.gz JRCGKHCCNZMUQI-UHFFFAOYSA-N 0 3 443.508 -0.094 20 0 IBADHN COc1cnccc1N1CCN(C(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)nc2)CC1 ZINC000485091606 1073512578 /nfs/dbraw/zinc/51/25/78/1073512578.db2.gz XTEIVXNLUJOPIF-UHFFFAOYSA-N 0 3 439.476 -0.291 20 0 IBADHN COc1cnccc1N1CCN(C(=O)C(=O)Nc2cccc(C(=O)NCC(N)=O)c2)CC1 ZINC000485091685 1073512413 /nfs/dbraw/zinc/51/24/13/1073512413.db2.gz XLECHNWEXDQFJA-UHFFFAOYSA-N 0 3 440.460 -0.407 20 0 IBADHN COCCNC(=O)Cn1cc(NC(=O)C(=O)N2CCN(c3ccncc3OC)CC2)cn1 ZINC000485092369 1073512697 /nfs/dbraw/zinc/51/26/97/1073512697.db2.gz OZBYMAQPCKCHOY-UHFFFAOYSA-N 0 3 445.480 -0.663 20 0 IBADHN COc1cnccc1N1CCN(C(=O)C(=O)Nc2cnn(CC(=O)NC3CC3)c2)CC1 ZINC000485097951 1073513269 /nfs/dbraw/zinc/51/32/69/1073513269.db2.gz YZEYFAJJTGMVCD-UHFFFAOYSA-N 0 3 427.465 -0.147 20 0 IBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)NCCCN2CCN(c3ncccn3)CC2)CC1 ZINC000485279429 1073520902 /nfs/dbraw/zinc/52/09/02/1073520902.db2.gz VZTSBEANUCFHGG-IBGZPJMESA-N 0 3 444.584 -0.063 20 0 IBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)NCCCN2CCN(c3ncccn3)CC2)CC1 ZINC000485279432 1073520811 /nfs/dbraw/zinc/52/08/11/1073520811.db2.gz VZTSBEANUCFHGG-LJQANCHMSA-N 0 3 444.584 -0.063 20 0 IBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)CC1 ZINC000485346930 1073522951 /nfs/dbraw/zinc/52/29/51/1073522951.db2.gz IZJFNSQAOPIAJU-DLBZAZTESA-N 0 3 445.586 -0.577 20 0 IBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)CC1 ZINC000485346932 1073522991 /nfs/dbraw/zinc/52/29/91/1073522991.db2.gz IZJFNSQAOPIAJU-IAGOWNOFSA-N 0 3 445.586 -0.577 20 0 IBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)CC1 ZINC000485346934 1073522759 /nfs/dbraw/zinc/52/27/59/1073522759.db2.gz IZJFNSQAOPIAJU-IRXDYDNUSA-N 0 3 445.586 -0.577 20 0 IBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)CC1 ZINC000485346937 1073522843 /nfs/dbraw/zinc/52/28/43/1073522843.db2.gz IZJFNSQAOPIAJU-SJORKVTESA-N 0 3 445.586 -0.577 20 0 IBADHN CN(CCNC(=O)C(=O)NCc1ccccc1S(=O)(=O)N1CCN(C)CC1)C1CC1 ZINC000485451796 1073526359 /nfs/dbraw/zinc/52/63/59/1073526359.db2.gz LRRJIFFPWFGVDS-UHFFFAOYSA-N 0 3 437.566 -0.551 20 0 IBADHN CN(CCNC(=O)C(=O)N1CCN(S(=O)(=O)c2c[nH]c3ncccc23)CC1)C1CC1 ZINC000485473986 1073527075 /nfs/dbraw/zinc/52/70/75/1073527075.db2.gz VHCBQPPUUORKFC-UHFFFAOYSA-N 0 3 434.522 -0.394 20 0 IBADHN CN(CCNC(=O)C(=O)N1CCN(S(=O)(=O)N(C)C2CCCCC2)CC1)C1CC1 ZINC000485536282 1073528453 /nfs/dbraw/zinc/52/84/53/1073528453.db2.gz IDJZHWMWYCVKAC-UHFFFAOYSA-N 0 3 429.587 -0.150 20 0 IBADHN Cc1cc(N2CCC[C@@H](N3CCN(C(=O)C(=O)NCCN(C)C4CC4)CC3)C2=O)n(C)n1 ZINC000485541840 1073528324 /nfs/dbraw/zinc/52/83/24/1073528324.db2.gz ZPIVGQDMDLFKQF-GOSISDBHSA-N 0 3 445.568 -0.421 20 0 IBADHN Cc1cc(N2CCC[C@H](N3CCN(C(=O)C(=O)NCCN(C)C4CC4)CC3)C2=O)n(C)n1 ZINC000485541849 1073528411 /nfs/dbraw/zinc/52/84/11/1073528411.db2.gz ZPIVGQDMDLFKQF-SFHVURJKSA-N 0 3 445.568 -0.421 20 0 IBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)NCCS(=O)(=O)N2CCSCC2)CC1 ZINC000485583671 1073529371 /nfs/dbraw/zinc/52/93/71/1073529371.db2.gz NSCXCBQLGPQUAY-HNNXBMFYSA-N 0 3 433.600 -0.687 20 0 IBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)NCCS(=O)(=O)N2CCSCC2)CC1 ZINC000485583674 1073529711 /nfs/dbraw/zinc/52/97/11/1073529711.db2.gz NSCXCBQLGPQUAY-OAHLLOKOSA-N 0 3 433.600 -0.687 20 0 IBADHN CN(CCNC(=O)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1)C1CC1 ZINC000485605320 1073529636 /nfs/dbraw/zinc/52/96/36/1073529636.db2.gz WFRYWMJIBBNSGW-INIZCTEOSA-N 0 3 431.541 -0.391 20 0 IBADHN CN(CCNC(=O)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1)C1CC1 ZINC000485605321 1073530289 /nfs/dbraw/zinc/53/02/89/1073530289.db2.gz WFRYWMJIBBNSGW-MRXNPFEDSA-N 0 3 431.541 -0.391 20 0 IBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)NCCN2CCN(c3ncccn3)CC2)CC1 ZINC000485610213 1073530153 /nfs/dbraw/zinc/53/01/53/1073530153.db2.gz BYPABBHVPSTDDD-GOSISDBHSA-N 0 3 430.557 -0.453 20 0 IBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)NCCN2CCN(c3ncccn3)CC2)CC1 ZINC000485610214 1073530444 /nfs/dbraw/zinc/53/04/44/1073530444.db2.gz BYPABBHVPSTDDD-SFHVURJKSA-N 0 3 430.557 -0.453 20 0 IBADHN Cc1cc(C(=O)NCCN2CCN(C)CC2)cc(C(=O)NCCN2CCN(C)CC2)c1 ZINC000485702406 1073533872 /nfs/dbraw/zinc/53/38/72/1073533872.db2.gz SNVCDYGMJRKLAS-UHFFFAOYSA-N 0 3 430.597 -0.051 20 0 IBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)NCCN2CCN(C(=O)C3CCC3)CC2)CC1 ZINC000486110720 1073541389 /nfs/dbraw/zinc/54/13/89/1073541389.db2.gz OSMPOBHFODNWMU-IBGZPJMESA-N 0 3 434.585 -0.121 20 0 IBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)NCCN2CCN(C(=O)C3CCC3)CC2)CC1 ZINC000486110721 1073541141 /nfs/dbraw/zinc/54/11/41/1073541141.db2.gz OSMPOBHFODNWMU-LJQANCHMSA-N 0 3 434.585 -0.121 20 0 IBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)NCCNS(=O)(=O)Cc2ccon2)CC1 ZINC000486221313 1073542938 /nfs/dbraw/zinc/54/29/38/1073542938.db2.gz WKFONACXKFOEQF-HNNXBMFYSA-N 0 3 428.515 -0.958 20 0 IBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)NCCNS(=O)(=O)Cc2ccon2)CC1 ZINC000486221315 1073542975 /nfs/dbraw/zinc/54/29/75/1073542975.db2.gz WKFONACXKFOEQF-OAHLLOKOSA-N 0 3 428.515 -0.958 20 0 IBADHN CN1CCC[C@@H]1C(=O)N1CCN(CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)CC1 ZINC000486229992 1073543742 /nfs/dbraw/zinc/54/37/42/1073543742.db2.gz KNBJWMJKZJIMSA-GOSISDBHSA-N 0 3 435.550 -0.539 20 0 IBADHN CN1CCC[C@H]1C(=O)N1CCN(CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)CC1 ZINC000486230125 1073543684 /nfs/dbraw/zinc/54/36/84/1073543684.db2.gz KNBJWMJKZJIMSA-SFHVURJKSA-N 0 3 435.550 -0.539 20 0 IBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)NC2CCN(S(=O)(=O)C3CC3)CC2)CC1 ZINC000486236067 1073543499 /nfs/dbraw/zinc/54/34/99/1073543499.db2.gz YXBLHLXDLRGVQW-KRWDZBQOSA-N 0 3 427.571 -0.109 20 0 IBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)NC2CCN(S(=O)(=O)C3CC3)CC2)CC1 ZINC000486236068 1073543620 /nfs/dbraw/zinc/54/36/20/1073543620.db2.gz YXBLHLXDLRGVQW-QGZVFWFLSA-N 0 3 427.571 -0.109 20 0 IBADHN COc1ccc(S(N)(=O)=O)cc1NC(=O)CN1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000486236340 1073543651 /nfs/dbraw/zinc/54/36/51/1073543651.db2.gz VCCHNLPVEOBVLM-INIZCTEOSA-N 0 3 439.538 -0.481 20 0 IBADHN COc1ccc(S(N)(=O)=O)cc1NC(=O)CN1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000486236341 1073543435 /nfs/dbraw/zinc/54/34/35/1073543435.db2.gz VCCHNLPVEOBVLM-MRXNPFEDSA-N 0 3 439.538 -0.481 20 0 IBADHN C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)CN1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000486242949 1073544443 /nfs/dbraw/zinc/54/44/43/1073544443.db2.gz XNLVPYZQAPSXQT-BEFAXECRSA-N 0 3 449.577 -0.150 20 0 IBADHN C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)CN1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000486242950 1073544299 /nfs/dbraw/zinc/54/42/99/1073544299.db2.gz XNLVPYZQAPSXQT-DNVCBOLYSA-N 0 3 449.577 -0.150 20 0 IBADHN C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)CN1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000486242951 1073544470 /nfs/dbraw/zinc/54/44/70/1073544470.db2.gz XNLVPYZQAPSXQT-HNAYVOBHSA-N 0 3 449.577 -0.150 20 0 IBADHN C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)CN1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000486242952 1073544268 /nfs/dbraw/zinc/54/42/68/1073544268.db2.gz XNLVPYZQAPSXQT-KXBFYZLASA-N 0 3 449.577 -0.150 20 0 IBADHN CN1CCC[C@@H]1C(=O)N1CCN(CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000486252556 1073543526 /nfs/dbraw/zinc/54/35/26/1073543526.db2.gz QOFXLMLTACJJCZ-GOSISDBHSA-N 0 3 437.566 -0.769 20 0 IBADHN CN1CCC[C@H]1C(=O)N1CCN(CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000486252565 1073543775 /nfs/dbraw/zinc/54/37/75/1073543775.db2.gz QOFXLMLTACJJCZ-SFHVURJKSA-N 0 3 437.566 -0.769 20 0 IBADHN C[C@H](CNC(=O)c1ccc(C(=O)NC[C@H](C)N2CCN(C)CC2)nc1)N1CCN(C)CC1 ZINC000486255914 1073544167 /nfs/dbraw/zinc/54/41/67/1073544167.db2.gz WSLINKSASQIGKP-MOPGFXCFSA-N 0 3 445.612 -0.187 20 0 IBADHN C[C@@H](CNC(=O)c1ccc(C(=O)NC[C@H](C)N2CCN(C)CC2)nc1)N1CCN(C)CC1 ZINC000486255923 1073544329 /nfs/dbraw/zinc/54/43/29/1073544329.db2.gz WSLINKSASQIGKP-OALUTQOASA-N 0 3 445.612 -0.187 20 0 IBADHN C[C@H](CNC(=O)c1ccc(C(=O)NC[C@H](C)N2CCN(C)CC2)cn1)N1CCN(C)CC1 ZINC000486255927 1073544353 /nfs/dbraw/zinc/54/43/53/1073544353.db2.gz WSLINKSASQIGKP-RBUKOAKNSA-N 0 3 445.612 -0.187 20 0 IBADHN C[C@H](CNC(=O)c1ccc(C(=O)NC[C@@H](C)N2CCN(C)CC2)nc1)N1CCN(C)CC1 ZINC000486255930 1073544183 /nfs/dbraw/zinc/54/41/83/1073544183.db2.gz WSLINKSASQIGKP-RTBURBONSA-N 0 3 445.612 -0.187 20 0 IBADHN Cc1cc(C(=O)NC[C@@H]2CN(C)CCN2C)cc(C(=O)NC[C@@H]2CN(C)CCN2C)c1 ZINC000486286091 1073544917 /nfs/dbraw/zinc/54/49/17/1073544917.db2.gz UMMVGWQFRVRZOT-NHCUHLMSSA-N 0 3 430.597 -0.054 20 0 IBADHN Cc1cc(C(=O)NC[C@@H]2CN(C)CCN2C)cc(C(=O)NC[C@H]2CN(C)CCN2C)c1 ZINC000486286092 1073544813 /nfs/dbraw/zinc/54/48/13/1073544813.db2.gz UMMVGWQFRVRZOT-OYRHEFFESA-N 0 3 430.597 -0.054 20 0 IBADHN Cc1cc(C(=O)NC[C@H]2CN(C)CCN2C)cc(C(=O)NC[C@H]2CN(C)CCN2C)c1 ZINC000486286093 1073544945 /nfs/dbraw/zinc/54/49/45/1073544945.db2.gz UMMVGWQFRVRZOT-SFTDATJTSA-N 0 3 430.597 -0.054 20 0 IBADHN C[C@H](CN1CCN(C)CC1)NC(=O)c1ccc(C(=O)N[C@@H](C)CN2CCN(C)CC2)nc1 ZINC000486304105 1073545543 /nfs/dbraw/zinc/54/55/43/1073545543.db2.gz NCSBQFUTUVBNOQ-MOPGFXCFSA-N 0 3 445.612 -0.187 20 0 IBADHN C[C@@H](CN1CCN(C)CC1)NC(=O)c1ccc(C(=O)N[C@@H](C)CN2CCN(C)CC2)nc1 ZINC000486304106 1073545625 /nfs/dbraw/zinc/54/56/25/1073545625.db2.gz NCSBQFUTUVBNOQ-OALUTQOASA-N 0 3 445.612 -0.187 20 0 IBADHN C[C@H](CN1CCN(C)CC1)NC(=O)c1ccc(C(=O)N[C@@H](C)CN2CCN(C)CC2)cn1 ZINC000486304107 1073545700 /nfs/dbraw/zinc/54/57/00/1073545700.db2.gz NCSBQFUTUVBNOQ-RBUKOAKNSA-N 0 3 445.612 -0.187 20 0 IBADHN C[C@H](CN1CCN(C)CC1)NC(=O)c1ccc(C(=O)N[C@H](C)CN2CCN(C)CC2)nc1 ZINC000486304108 1073545578 /nfs/dbraw/zinc/54/55/78/1073545578.db2.gz NCSBQFUTUVBNOQ-RTBURBONSA-N 0 3 445.612 -0.187 20 0 IBADHN CC(C)NS(=O)(=O)CCNC(=O)C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1 ZINC000486913242 1073557611 /nfs/dbraw/zinc/55/76/11/1073557611.db2.gz VJSXYPXLSRPHBH-UHFFFAOYSA-N 0 3 441.510 -0.461 20 0 IBADHN CN(C)S(=O)(=O)C[C@@H](NC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1)C(F)(F)F ZINC000486933914 1073558729 /nfs/dbraw/zinc/55/87/29/1073558729.db2.gz KRLCREVDENGYCH-CHWSQXEVSA-N 0 3 443.492 -0.243 20 0 IBADHN CN(C)S(=O)(=O)C[C@H](NC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1)C(F)(F)F ZINC000486933916 1073558767 /nfs/dbraw/zinc/55/87/67/1073558767.db2.gz KRLCREVDENGYCH-OLZOCXBDSA-N 0 3 443.492 -0.243 20 0 IBADHN CN(C)S(=O)(=O)C[C@@H](NC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1)C(F)(F)F ZINC000486933917 1073559097 /nfs/dbraw/zinc/55/90/97/1073559097.db2.gz KRLCREVDENGYCH-QWHCGFSZSA-N 0 3 443.492 -0.243 20 0 IBADHN CN(C)S(=O)(=O)C[C@H](NC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1)C(F)(F)F ZINC000486933918 1073558934 /nfs/dbraw/zinc/55/89/34/1073558934.db2.gz KRLCREVDENGYCH-STQMWFEESA-N 0 3 443.492 -0.243 20 0 IBADHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)Cn1c2ccc(S(N)(=O)=O)cc2oc1=O ZINC000487129450 1073566953 /nfs/dbraw/zinc/56/69/53/1073566953.db2.gz YQMVQNDPXNHRHE-CYBMUJFWSA-N 0 3 438.506 -0.046 20 0 IBADHN Cc1nn(C)c(C)c1[C@H]1[C@H](NC(=O)NCCCCN2CCN(CCO)CC2)CC(=O)N1C ZINC000487476156 1072613562 /nfs/dbraw/zinc/61/35/62/1072613562.db2.gz PUXBPPZLALFODI-WIYYLYMNSA-N 0 3 449.600 -0.002 20 0 IBADHN Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000487477936 1072614352 /nfs/dbraw/zinc/61/43/52/1072614352.db2.gz OYOZRRPNUDJXSP-AWEZNQCLSA-N 0 3 427.527 -0.275 20 0 IBADHN COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)NC[C@@H](C)CN2CCN(C)CC2)C1 ZINC000487506836 1072659016 /nfs/dbraw/zinc/65/90/16/1072659016.db2.gz WBVXJSWRCQWUGA-MSOLQXFVSA-N 0 3 433.619 -0.048 20 0 IBADHN COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)NC[C@@H](C)CN2CCN(C)CC2)C1 ZINC000487506839 1072659053 /nfs/dbraw/zinc/65/90/53/1072659053.db2.gz WBVXJSWRCQWUGA-QZTJIDSGSA-N 0 3 433.619 -0.048 20 0 IBADHN COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)NC[C@H](C)CN2CCN(C)CC2)C1 ZINC000487506840 1072659152 /nfs/dbraw/zinc/65/91/52/1072659152.db2.gz WBVXJSWRCQWUGA-ROUUACIJSA-N 0 3 433.619 -0.048 20 0 IBADHN COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)NC[C@H](C)CN2CCN(C)CC2)C1 ZINC000487506841 1072659033 /nfs/dbraw/zinc/65/90/33/1072659033.db2.gz WBVXJSWRCQWUGA-ZWKOTPCHSA-N 0 3 433.619 -0.048 20 0 IBADHN COc1cc(C(=O)N2CCN(C(=O)CN3CCCC3)CC2)cc(OC)c1OCC(N)=O ZINC000487531499 1072823527 /nfs/dbraw/zinc/82/35/27/1072823527.db2.gz CJZSRQCGIFPPMY-UHFFFAOYSA-N 0 3 434.493 -0.052 20 0 IBADHN COc1c(F)cc(CC(=O)N2CCN(C(=O)CN3CCCC3)CC2)cc1S(N)(=O)=O ZINC000487540973 1072876435 /nfs/dbraw/zinc/87/64/35/1072876435.db2.gz XHGKMKKCBZMQHJ-UHFFFAOYSA-N 0 3 442.513 -0.209 20 0 IBADHN Cc1nc(S(=O)(=O)NCCC(=O)N2CCN(C(=O)CN3CCCC3)CC2)cn1C ZINC000487555589 1073571411 /nfs/dbraw/zinc/57/14/11/1073571411.db2.gz IDYNGTNSXVXRPV-UHFFFAOYSA-N 0 3 426.543 -0.836 20 0 IBADHN COCCNS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)CN3CCCC3)CC2)cc1 ZINC000487592825 1073572408 /nfs/dbraw/zinc/57/24/08/1073572408.db2.gz QFVPOJYFEKCARA-UHFFFAOYSA-N 0 3 438.550 -0.009 20 0 IBADHN O=C(C[NH+]1CCCC1)N1CCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)c[n-]2)CC1 ZINC000487626050 1073573000 /nfs/dbraw/zinc/57/30/00/1073573000.db2.gz XSSIKBHFWKUAMY-UHFFFAOYSA-N 0 3 439.538 -0.584 20 0 IBADHN O=C(CN1CCCC1)N1CCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)c[nH]2)CC1 ZINC000487626050 1073572986 /nfs/dbraw/zinc/57/29/86/1073572986.db2.gz XSSIKBHFWKUAMY-UHFFFAOYSA-N 0 3 439.538 -0.584 20 0 IBADHN O=C(CN1CCCC1)N1CCN(C(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)CC1 ZINC000487646209 1073572892 /nfs/dbraw/zinc/57/28/92/1073572892.db2.gz BMYBPSBXYZUBNX-UHFFFAOYSA-N 0 3 439.516 -0.175 20 0 IBADHN COCCNS(=O)(=O)c1cccc(C(=O)N2CCN(C(=O)CN3CCCC3)CC2)c1 ZINC000487648705 1073573623 /nfs/dbraw/zinc/57/36/23/1073573623.db2.gz LJRUVSXPFSBGGU-UHFFFAOYSA-N 0 3 438.550 -0.009 20 0 IBADHN O=C(CN1CCCC1)N1CCN(C(=O)Cn2cc(Br)c(=O)[nH]c2=O)CC1 ZINC000487648770 1073573512 /nfs/dbraw/zinc/57/35/12/1073573512.db2.gz LZPQFUROTPPCNJ-UHFFFAOYSA-N 0 3 428.287 -0.522 20 0 IBADHN COC(=O)C1CCN(CCCNC(=O)c2ccc(S(=O)(=O)CC(N)=O)cc2)CC1 ZINC000487671880 1073574740 /nfs/dbraw/zinc/57/47/40/1073574740.db2.gz IQWDSRXRMAYYDJ-UHFFFAOYSA-N 0 3 425.507 -0.050 20 0 IBADHN COC(=O)C1CCN(CCCNC(=O)c2cnc3c(c2C)c(=O)n(C)c(=O)n3C)CC1 ZINC000487682996 1073574847 /nfs/dbraw/zinc/57/48/47/1073574847.db2.gz FTQZJXPLQZYFIO-UHFFFAOYSA-N 0 3 431.493 -0.054 20 0 IBADHN COC(=O)C1CCN(CCCNC(=O)c2cc(C)c3c(=O)n(C)c(=O)n(C)c3n2)CC1 ZINC000487687174 1073575446 /nfs/dbraw/zinc/57/54/46/1073575446.db2.gz VHNAHCIEUQMVIR-UHFFFAOYSA-N 0 3 431.493 -0.054 20 0 IBADHN O=C(Cn1cc(NC(=O)C(=O)NC[C@@H](O)CN2CCc3ccccc3C2)cn1)NC1CC1 ZINC000487697629 1073575909 /nfs/dbraw/zinc/57/59/09/1073575909.db2.gz ABPJRFZIDMCDDM-LJQANCHMSA-N 0 3 440.504 -0.364 20 0 IBADHN CS(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@@H](O)CN2CCc3ccccc3C2)cn1 ZINC000487712558 1073575770 /nfs/dbraw/zinc/57/57/70/1073575770.db2.gz SYVQQKAHSIOVAK-QGZVFWFLSA-N 0 3 432.502 -0.041 20 0 IBADHN CNC(=O)Cn1nc(NC(=O)C(=O)NC[C@@H](O)CN2CCc3ccccc3C2)cc1C ZINC000487724332 1074353206 /nfs/dbraw/zinc/35/32/06/1074353206.db2.gz JSYJQIWCCWPLPS-QGZVFWFLSA-N 0 3 428.493 -0.589 20 0 IBADHN NS(=O)(=O)c1cccc(NC(=O)C(=O)NC[C@@H](O)CN2CCc3ccccc3C2)c1 ZINC000487736043 1073576418 /nfs/dbraw/zinc/57/64/18/1073576418.db2.gz BMGXYCUXJHFEOB-QGZVFWFLSA-N 0 3 432.502 -0.192 20 0 IBADHN COC(=O)c1cc2c(cc1NC(=O)C(=O)N1CCN(C(=O)[C@@H]3CCCN3C)CC1)OCO2 ZINC000487788256 1073576958 /nfs/dbraw/zinc/57/69/58/1073576958.db2.gz VQNHFBUOKVJBGF-HNNXBMFYSA-N 0 3 446.460 -0.095 20 0 IBADHN COC(=O)c1cc2c(cc1NC(=O)C(=O)N1CCN(C(=O)[C@H]3CCCN3C)CC1)OCO2 ZINC000487788258 1073576864 /nfs/dbraw/zinc/57/68/64/1073576864.db2.gz VQNHFBUOKVJBGF-OAHLLOKOSA-N 0 3 446.460 -0.095 20 0 IBADHN COC(=O)c1cc2c(cc1NC(=O)C(=O)N1CCN(C(=O)CN3CCCC3)CC1)OCO2 ZINC000487876990 1073578257 /nfs/dbraw/zinc/57/82/57/1073578257.db2.gz SFZKJZBYMQRGQX-UHFFFAOYSA-N 0 3 446.460 -0.093 20 0 IBADHN CN1CCN(S(=O)(=O)c2ccc(N3CCN(C(=O)CN4CCCC4)CC3)nc2)CC1 ZINC000488016717 1073581147 /nfs/dbraw/zinc/58/11/47/1073581147.db2.gz XVBDZXGFWHGLEQ-UHFFFAOYSA-N 0 3 436.582 -0.238 20 0 IBADHN O=C([C@@H]1CN2CCN1CCC2)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 ZINC000488118787 1073582160 /nfs/dbraw/zinc/58/21/60/1073582160.db2.gz JURMSLSQLANXFX-KRWDZBQOSA-N 0 3 449.533 -0.760 20 0 IBADHN O=C([C@H]1CN2CCN1CCC2)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 ZINC000488118788 1073582260 /nfs/dbraw/zinc/58/22/60/1073582260.db2.gz JURMSLSQLANXFX-QGZVFWFLSA-N 0 3 449.533 -0.760 20 0 IBADHN C[C@@H](Sc1nnnn1CCN(C)C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000488663931 1073590981 /nfs/dbraw/zinc/59/09/81/1073590981.db2.gz GWMMZDXCYHOVDZ-GFCCVEGCSA-N 0 3 427.556 -0.278 20 0 IBADHN C[C@H](Sc1nnnn1CCN(C)C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000488663932 1073591032 /nfs/dbraw/zinc/59/10/32/1073591032.db2.gz GWMMZDXCYHOVDZ-LBPRGKRZSA-N 0 3 427.556 -0.278 20 0 IBADHN C[C@H]1CN(C2CCOCC2)CCN1CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000488701368 1073365271 /nfs/dbraw/zinc/36/52/71/1073365271.db2.gz KQDQDHVNXXXEHV-IBGZPJMESA-N 0 3 437.585 -0.826 20 0 IBADHN C[C@@H]1CN(C2CCOCC2)CCN1CC(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000488713054 1073365114 /nfs/dbraw/zinc/36/51/14/1073365114.db2.gz KQDQDHVNXXXEHV-LJQANCHMSA-N 0 3 437.585 -0.826 20 0 IBADHN C[C@@H]1[C@H](CO)CCN1CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000488734226 1073592533 /nfs/dbraw/zinc/59/25/33/1073592533.db2.gz QOTUZOXPTSLYHQ-CVEARBPZSA-N 0 3 439.534 -0.007 20 0 IBADHN C[C@H]1[C@H](CO)CCN1CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000488734231 1073592592 /nfs/dbraw/zinc/59/25/92/1073592592.db2.gz QOTUZOXPTSLYHQ-HOTGVXAUSA-N 0 3 439.534 -0.007 20 0 IBADHN C[C@@H]1[C@@H](CO)CCN1CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000488734234 1073592478 /nfs/dbraw/zinc/59/24/78/1073592478.db2.gz QOTUZOXPTSLYHQ-HZPDHXFCSA-N 0 3 439.534 -0.007 20 0 IBADHN C[C@H]1[C@@H](CO)CCN1CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000488734236 1073592687 /nfs/dbraw/zinc/59/26/87/1073592687.db2.gz QOTUZOXPTSLYHQ-JKSUJKDBSA-N 0 3 439.534 -0.007 20 0 IBADHN CN(C)S(=O)(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)CN3CCCC3)CC2)c1 ZINC000488758086 1073593180 /nfs/dbraw/zinc/59/31/80/1073593180.db2.gz JRPNCIDZJYJPMT-UHFFFAOYSA-N 0 3 444.579 -0.134 20 0 IBADHN CN(C)S(=O)(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)CN3CCCC3)CC2)cc1 ZINC000488758721 1073593167 /nfs/dbraw/zinc/59/31/67/1073593167.db2.gz KKXHXVFEIALLMH-UHFFFAOYSA-N 0 3 444.579 -0.134 20 0 IBADHN CNS(=O)(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)CN3CCCC3)CC2)c1 ZINC000488760392 1073593196 /nfs/dbraw/zinc/59/31/96/1073593196.db2.gz MZWCQIGJOBVUAX-UHFFFAOYSA-N 0 3 430.552 -0.477 20 0 IBADHN CNS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)CN3CCCC3)CC2)cc1 ZINC000488766798 1073593147 /nfs/dbraw/zinc/59/31/47/1073593147.db2.gz XXWFCBQCDNGLJN-UHFFFAOYSA-N 0 3 430.552 -0.477 20 0 IBADHN Cc1ccc(S(=O)(=O)NCCN2CCN(C(=O)[C@@H]3CN4CCN3CCC4)CC2)cc1 ZINC000488913063 1073597031 /nfs/dbraw/zinc/59/70/31/1073597031.db2.gz CMKZJRLBRSWIRZ-FQEVSTJZSA-N 0 3 435.594 -0.193 20 0 IBADHN Cc1ccc(S(=O)(=O)NCCN2CCN(C(=O)[C@H]3CN4CCN3CCC4)CC2)cc1 ZINC000488913070 1073596955 /nfs/dbraw/zinc/59/69/55/1073596955.db2.gz CMKZJRLBRSWIRZ-HXUWFJFHSA-N 0 3 435.594 -0.193 20 0 IBADHN CC(C)N(CCCNC(=O)CN1CCN(C(=O)CN2CCCC2)CC1)S(C)(=O)=O ZINC000489103294 1073601097 /nfs/dbraw/zinc/60/10/97/1073601097.db2.gz ZGEPCBRDIRDSNG-UHFFFAOYSA-N 0 3 431.603 -0.597 20 0 IBADHN CC(C)(C)NC(=O)CN1CCN(C(=O)CN2CCN(C(=O)CN3CCCC3)CC2)CC1 ZINC000489128590 1073601871 /nfs/dbraw/zinc/60/18/71/1073601871.db2.gz NJTIEANDZWAUQN-UHFFFAOYSA-N 0 3 436.601 -0.715 20 0 IBADHN CC(=O)c1ccc(S(=O)(=O)NCC(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)cc1 ZINC000489128795 1073601954 /nfs/dbraw/zinc/60/19/54/1073601954.db2.gz AFEUZWFIICCYHV-GOSISDBHSA-N 0 3 436.534 -0.068 20 0 IBADHN CC(=O)c1ccc(S(=O)(=O)NCC(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)cc1 ZINC000489128800 1073601963 /nfs/dbraw/zinc/60/19/63/1073601963.db2.gz AFEUZWFIICCYHV-SFHVURJKSA-N 0 3 436.534 -0.068 20 0 IBADHN C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)CN1CCN(C(=O)CN2CCCC2)CC1 ZINC000489145608 1073602659 /nfs/dbraw/zinc/60/26/59/1073602659.db2.gz DICSLAXMUWSIID-INIZCTEOSA-N 0 3 449.577 -0.148 20 0 IBADHN C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)CN1CCN(C(=O)CN2CCCC2)CC1 ZINC000489145609 1073602712 /nfs/dbraw/zinc/60/27/12/1073602712.db2.gz DICSLAXMUWSIID-MRXNPFEDSA-N 0 3 449.577 -0.148 20 0 IBADHN NS(=O)(=O)c1ccc(CCNC(=O)CN2CCN(C(=O)CN3CCCC3)CC2)cc1 ZINC000489146494 1073602778 /nfs/dbraw/zinc/60/27/78/1073602778.db2.gz GVVNSUQLYVDACM-UHFFFAOYSA-N 0 3 437.566 -0.767 20 0 IBADHN CC(C)CN(C(=O)CN1CCN(C(=O)CN2CCCC2)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000489147982 1073602633 /nfs/dbraw/zinc/60/26/33/1073602633.db2.gz NCPWVBOXBQQRSF-GOSISDBHSA-N 0 3 428.599 -0.102 20 0 IBADHN CC(C)CN(C(=O)CN1CCN(C(=O)CN2CCCC2)CC1)[C@H]1CCS(=O)(=O)C1 ZINC000489147989 1073602594 /nfs/dbraw/zinc/60/25/94/1073602594.db2.gz NCPWVBOXBQQRSF-SFHVURJKSA-N 0 3 428.599 -0.102 20 0 IBADHN NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CN1CCN(C(=O)CN2CCCC2)CC1 ZINC000489148648 1073602616 /nfs/dbraw/zinc/60/26/16/1073602616.db2.gz QIBCVIUDGYMBLZ-UHFFFAOYSA-N 0 3 435.550 -0.537 20 0 IBADHN CS(=O)(=O)c1ccc(-n2nnnc2CN2CCN(C(=O)CN3CCCC3)CC2)cc1 ZINC000489201688 1073604682 /nfs/dbraw/zinc/60/46/82/1073604682.db2.gz YIVVCZFJWJYBSU-UHFFFAOYSA-N 0 3 433.538 -0.194 20 0 IBADHN CS(=O)(=O)N[C@@H]1CCN(Cc2cccc(CN3CC[C@H](NS(C)(=O)=O)C3)c2)C1 ZINC000489287108 1073608292 /nfs/dbraw/zinc/60/82/92/1073608292.db2.gz GBEOSWXBHDLXSJ-HDICACEKSA-N 0 3 430.596 -0.066 20 0 IBADHN CS(=O)(=O)N[C@@H]1CCN(Cc2ccccc2CN2CC[C@H](NS(C)(=O)=O)C2)C1 ZINC000489290648 1073608337 /nfs/dbraw/zinc/60/83/37/1073608337.db2.gz LUGPZUMEGCSULK-HDICACEKSA-N 0 3 430.596 -0.066 20 0 IBADHN CS(=O)(=O)N[C@@H]1CCN(Cc2ccccc2CN2CC[C@@H](NS(C)(=O)=O)C2)C1 ZINC000489290650 1073608059 /nfs/dbraw/zinc/60/80/59/1073608059.db2.gz LUGPZUMEGCSULK-QZTJIDSGSA-N 0 3 430.596 -0.066 20 0 IBADHN CS(=O)(=O)N[C@H]1CCN(Cc2ccccc2CN2CC[C@H](NS(C)(=O)=O)C2)C1 ZINC000489290652 1073607999 /nfs/dbraw/zinc/60/79/99/1073607999.db2.gz LUGPZUMEGCSULK-ROUUACIJSA-N 0 3 430.596 -0.066 20 0 IBADHN Cc1nc(N2CCN(C(=O)CN(C)C)CC2)c(N2CCN(C(=O)CN(C)C)CC2)nc1C ZINC000489357438 1073610184 /nfs/dbraw/zinc/61/01/84/1073610184.db2.gz GOVXJMZQBDLIGI-UHFFFAOYSA-N 0 3 446.600 -0.486 20 0 IBADHN COc1ccc2c(c1)nc(CNC(=O)C(=O)N1CCN(C(=O)[C@H]3CCCN3C)CC1)n2C ZINC000489617836 1073617648 /nfs/dbraw/zinc/61/76/48/1073617648.db2.gz DEEPVDYIPFQCDV-GOSISDBHSA-N 0 3 442.520 -0.037 20 0 IBADHN COc1ccc2c(c1)nc(CNC(=O)C(=O)N1CCN(C(=O)[C@@H]3CCCN3C)CC1)n2C ZINC000489617840 1073617851 /nfs/dbraw/zinc/61/78/51/1073617851.db2.gz DEEPVDYIPFQCDV-SFHVURJKSA-N 0 3 442.520 -0.037 20 0 IBADHN CNS(=O)(=O)C[C@@H]1CCCN1CCOCCN1CCC[C@H]1CS(=O)(=O)NC ZINC000489712678 1073621634 /nfs/dbraw/zinc/62/16/34/1073621634.db2.gz VSDNGABPIZELOB-HOTGVXAUSA-N 0 3 426.605 -0.970 20 0 IBADHN CNS(=O)(=O)C[C@H]1CCCN1CCOCCN1CCC[C@@H]1CS(=O)(=O)NC ZINC000489712684 1073621742 /nfs/dbraw/zinc/62/17/42/1073621742.db2.gz VSDNGABPIZELOB-HZPDHXFCSA-N 0 3 426.605 -0.970 20 0 IBADHN CNS(=O)(=O)C[C@H]1CCCN1CCOCCN1CCC[C@H]1CS(=O)(=O)NC ZINC000489712687 1073621569 /nfs/dbraw/zinc/62/15/69/1073621569.db2.gz VSDNGABPIZELOB-IYBDPMFKSA-N 0 3 426.605 -0.970 20 0 IBADHN O=C(Cn1cnnn1)N1CCN(C(=O)NCc2ccccc2CN2CCC(O)CC2)CC1 ZINC000489807272 1072294513 /nfs/dbraw/zinc/29/45/13/1072294513.db2.gz RPJLWQIAYDXAEP-UHFFFAOYSA-N 0 3 442.524 -0.316 20 0 IBADHN c1cn2c(n1)C[C@@H](Nc1nc(N[C@H]3CCn4ccnc4C3)nc(N3CCOCC3)n1)CC2 ZINC000489923933 1073623159 /nfs/dbraw/zinc/62/31/59/1073623159.db2.gz LPNSCZJUJCDQIP-HOTGVXAUSA-N 0 3 436.524 -0.201 20 0 IBADHN c1cn2c(n1)C[C@H](Nc1nc(N[C@@H]3CCn4ccnc4C3)nc(N3CCOCC3)n1)CC2 ZINC000489923934 1073623001 /nfs/dbraw/zinc/62/30/01/1073623001.db2.gz LPNSCZJUJCDQIP-HZPDHXFCSA-N 0 3 436.524 -0.201 20 0 IBADHN c1cn2c(n1)C[C@H](Nc1nc(N[C@H]3CCn4ccnc4C3)nc(N3CCOCC3)n1)CC2 ZINC000489923935 1073623156 /nfs/dbraw/zinc/62/31/56/1073623156.db2.gz LPNSCZJUJCDQIP-IYBDPMFKSA-N 0 3 436.524 -0.201 20 0 IBADHN COc1ccc2c(c1)nc(CNC(=O)C(=O)N1CCN(C(=O)CN3CCCC3)CC1)n2C ZINC000489938501 1073623695 /nfs/dbraw/zinc/62/36/95/1073623695.db2.gz XOMAYFKNECRMST-UHFFFAOYSA-N 0 3 442.520 -0.035 20 0 IBADHN COC(=O)CC1(NCC(=O)N2CCN(c3ncnc4c3cnn4C)CC2)CCOCC1 ZINC000489965575 1073623911 /nfs/dbraw/zinc/62/39/11/1073623911.db2.gz FXTKMUACICKGPM-UHFFFAOYSA-N 0 3 431.497 -0.286 20 0 IBADHN COC(=O)CC1(NCC(=O)N(C[C@@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)CCOCC1 ZINC000490004913 1073624328 /nfs/dbraw/zinc/62/43/28/1073624328.db2.gz ZENFCJKBGMSJID-CVEARBPZSA-N 0 3 432.539 -0.117 20 0 IBADHN COC(=O)CC1(NCC(=O)N(C[C@@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)CCOCC1 ZINC000490004917 1073624430 /nfs/dbraw/zinc/62/44/30/1073624430.db2.gz ZENFCJKBGMSJID-HOTGVXAUSA-N 0 3 432.539 -0.117 20 0 IBADHN COC(=O)CC1(NCC(=O)N(C[C@H]2CCCO2)[C@@H]2CCS(=O)(=O)C2)CCOCC1 ZINC000490004919 1073624500 /nfs/dbraw/zinc/62/45/00/1073624500.db2.gz ZENFCJKBGMSJID-HZPDHXFCSA-N 0 3 432.539 -0.117 20 0 IBADHN COC(=O)CC1(NCC(=O)N(C[C@H]2CCCO2)[C@H]2CCS(=O)(=O)C2)CCOCC1 ZINC000490004921 1073624269 /nfs/dbraw/zinc/62/42/69/1073624269.db2.gz ZENFCJKBGMSJID-JKSUJKDBSA-N 0 3 432.539 -0.117 20 0 IBADHN CCCN(CCC)S(=O)(=O)N1CCN(C(=O)[C@H]2CC(=O)N(CCN(C)C)C2)CC1 ZINC000490267120 1073638058 /nfs/dbraw/zinc/63/80/58/1073638058.db2.gz DBNQZQIOIYTFSV-KRWDZBQOSA-N 0 3 431.603 -0.093 20 0 IBADHN CCCN(CCC)S(=O)(=O)N1CCN(C(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)CC1 ZINC000490267122 1073638218 /nfs/dbraw/zinc/63/82/18/1073638218.db2.gz DBNQZQIOIYTFSV-QGZVFWFLSA-N 0 3 431.603 -0.093 20 0 IBADHN CC[C@H]1CN(CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C[C@@H]1N1CCOCC1 ZINC000490418466 1073369895 /nfs/dbraw/zinc/36/98/95/1073369895.db2.gz GIZNZUBLBVDXFQ-PMACEKPBSA-N 0 3 437.585 -0.968 20 0 IBADHN CC[C@@H]1CN(CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C[C@@H]1N1CCOCC1 ZINC000490418474 1073369857 /nfs/dbraw/zinc/36/98/57/1073369857.db2.gz GIZNZUBLBVDXFQ-UXHICEINSA-N 0 3 437.585 -0.968 20 0 IBADHN CC[C@H]1CN(CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C[C@H]1N1CCOCC1 ZINC000490418475 1073369762 /nfs/dbraw/zinc/36/97/62/1073369762.db2.gz GIZNZUBLBVDXFQ-VQTJNVASSA-N 0 3 437.585 -0.968 20 0 IBADHN CC[C@@H]1CN(CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C[C@H]1N1CCOCC1 ZINC000490418477 1073369825 /nfs/dbraw/zinc/36/98/25/1073369825.db2.gz GIZNZUBLBVDXFQ-WOJBJXKFSA-N 0 3 437.585 -0.968 20 0 IBADHN CCNS(=O)(=O)c1ccccc1S(=O)(=O)NCCCN1CCC[C@H](C(N)=O)C1 ZINC000490437265 1073648620 /nfs/dbraw/zinc/64/86/20/1073648620.db2.gz IBPIWIRIVIJSMI-AWEZNQCLSA-N 0 3 432.568 -0.150 20 0 IBADHN CCNS(=O)(=O)c1ccccc1S(=O)(=O)NCCCN1CCC[C@@H](C(N)=O)C1 ZINC000490437270 1073648673 /nfs/dbraw/zinc/64/86/73/1073648673.db2.gz IBPIWIRIVIJSMI-CQSZACIVSA-N 0 3 432.568 -0.150 20 0 IBADHN CCNS(=O)(=O)c1ccccc1S(=O)(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000490454863 1073647934 /nfs/dbraw/zinc/64/79/34/1073647934.db2.gz SEMJNGCXHJHYBX-UHFFFAOYSA-N 0 3 444.579 -0.087 20 0 IBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)Nc2cnn(CC(=O)NC3CC3)c2)CC1 ZINC000490492525 1073651440 /nfs/dbraw/zinc/65/14/40/1073651440.db2.gz NBRBKRTYWSQROZ-UHFFFAOYSA-N 0 3 433.513 -0.887 20 0 IBADHN CN(C)S(=O)(=O)c1ccc(F)c(NC(=O)C(=O)NCCCN2CCN(C)CC2)c1 ZINC000490519312 1073652863 /nfs/dbraw/zinc/65/28/63/1073652863.db2.gz FQMXKWXLHJCNKT-UHFFFAOYSA-N 0 3 429.518 -0.232 20 0 IBADHN CC(=O)c1ccc(S(=O)(=O)NCC(=O)N2CCN(C(=O)CN3CCCC3)CC2)cc1 ZINC000490581475 1073654927 /nfs/dbraw/zinc/65/49/27/1073654927.db2.gz DAQIWQROSUOWBM-UHFFFAOYSA-N 0 3 436.534 -0.066 20 0 IBADHN CC(C)Cn1c(N)c(C(=O)CN2CC[C@@H](N3CCN(C)CC3)[C@@H](C)C2)c(=O)n(C)c1=O ZINC000490645325 1073656833 /nfs/dbraw/zinc/65/68/33/1073656833.db2.gz BRXLMXPICMFHSR-DLBZAZTESA-N 0 3 434.585 -0.074 20 0 IBADHN CC(C)Cn1c(N)c(C(=O)CN2CC[C@@H](N3CCN(C)CC3)[C@H](C)C2)c(=O)n(C)c1=O ZINC000490645332 1073656800 /nfs/dbraw/zinc/65/68/00/1073656800.db2.gz BRXLMXPICMFHSR-IAGOWNOFSA-N 0 3 434.585 -0.074 20 0 IBADHN CC(C)Cn1c(N)c(C(=O)CN2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)c(=O)n(C)c1=O ZINC000490645338 1073656778 /nfs/dbraw/zinc/65/67/78/1073656778.db2.gz BRXLMXPICMFHSR-IRXDYDNUSA-N 0 3 434.585 -0.074 20 0 IBADHN CC(C)Cn1c(N)c(C(=O)CN2CC[C@H](N3CCN(C)CC3)[C@H](C)C2)c(=O)n(C)c1=O ZINC000490645342 1073656874 /nfs/dbraw/zinc/65/68/74/1073656874.db2.gz BRXLMXPICMFHSR-SJORKVTESA-N 0 3 434.585 -0.074 20 0 IBADHN CCN1CCN(CCNC(=O)C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2F)CC1 ZINC000490752914 1073660198 /nfs/dbraw/zinc/66/01/98/1073660198.db2.gz UOEWNTVAPMBJBT-UHFFFAOYSA-N 0 3 429.518 -0.232 20 0 IBADHN CN(C)CCn1c2cc(NC(=O)C(=O)NCCN3CCCS3(=O)=O)ccc2oc1=O ZINC000491165201 1073673939 /nfs/dbraw/zinc/67/39/39/1073673939.db2.gz DOAPYPNGFOZTQH-UHFFFAOYSA-N 0 3 439.494 -0.754 20 0 IBADHN CNS(=O)(=O)c1ccc(C)c(NC(=O)C(=O)NC[C@H](C)CN2CCN(C)CC2)c1 ZINC000491414783 1072583129 /nfs/dbraw/zinc/58/31/29/1072583129.db2.gz PIFJHXSBTMNSAA-AWEZNQCLSA-N 0 3 425.555 -0.159 20 0 IBADHN CNS(=O)(=O)c1ccc(C)c(NC(=O)C(=O)NC[C@@H](C)CN2CCN(C)CC2)c1 ZINC000491414785 1072583175 /nfs/dbraw/zinc/58/31/75/1072583175.db2.gz PIFJHXSBTMNSAA-CQSZACIVSA-N 0 3 425.555 -0.159 20 0 IBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)Nc2ccc(OCCC(N)=O)cc2)CC1 ZINC000491459735 1072584100 /nfs/dbraw/zinc/58/41/00/1072584100.db2.gz SPHHVAWLQDPNFS-UHFFFAOYSA-N 0 3 433.509 -0.108 20 0 IBADHN NC(=O)CCOc1ccc(NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)cc1 ZINC000491469746 1072583772 /nfs/dbraw/zinc/58/37/72/1072583772.db2.gz DJRNMRGIGOBFRP-UHFFFAOYSA-N 0 3 431.493 -0.354 20 0 IBADHN CCNS(=O)(=O)c1ccccc1S(=O)(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000491677951 1072588684 /nfs/dbraw/zinc/58/86/84/1072588684.db2.gz RIGVSWRQJMMATO-HNNXBMFYSA-N 0 3 444.579 -0.088 20 0 IBADHN CCNS(=O)(=O)c1ccccc1S(=O)(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000491677954 1072588648 /nfs/dbraw/zinc/58/86/48/1072588648.db2.gz RIGVSWRQJMMATO-OAHLLOKOSA-N 0 3 444.579 -0.088 20 0 IBADHN CN(CCCN1CCN(C)CC1)CC(=O)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000492824632 1072601484 /nfs/dbraw/zinc/60/14/84/1072601484.db2.gz AYUGYVNGMXGZEO-MOPGFXCFSA-N 0 3 430.615 -0.250 20 0 IBADHN CN(CCCN1CCN(C)CC1)CC(=O)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000492824633 1072601308 /nfs/dbraw/zinc/60/13/08/1072601308.db2.gz AYUGYVNGMXGZEO-OALUTQOASA-N 0 3 430.615 -0.250 20 0 IBADHN CN(CCCN1CCN(C)CC1)CC(=O)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000492824634 1072601266 /nfs/dbraw/zinc/60/12/66/1072601266.db2.gz AYUGYVNGMXGZEO-RBUKOAKNSA-N 0 3 430.615 -0.250 20 0 IBADHN CN(CCCN1CCN(C)CC1)CC(=O)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000492824635 1072601398 /nfs/dbraw/zinc/60/13/98/1072601398.db2.gz AYUGYVNGMXGZEO-RTBURBONSA-N 0 3 430.615 -0.250 20 0 IBADHN COC(=O)C[C@H]1CN(C(=O)C(=O)Nc2ccc3oc(=O)n(CCN(C)C)c3c2)CCO1 ZINC000494248540 1072624507 /nfs/dbraw/zinc/62/45/07/1072624507.db2.gz SDJAGRPLRKWFMI-AWEZNQCLSA-N 0 3 434.449 -0.115 20 0 IBADHN COC(=O)C[C@@H]1CN(C(=O)C(=O)Nc2ccc3oc(=O)n(CCN(C)C)c3c2)CCO1 ZINC000494248541 1072624393 /nfs/dbraw/zinc/62/43/93/1072624393.db2.gz SDJAGRPLRKWFMI-CQSZACIVSA-N 0 3 434.449 -0.115 20 0 IBADHN CNS(=O)(=O)C[C@@H]1CCCN1CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000494708867 1072641739 /nfs/dbraw/zinc/64/17/39/1072641739.db2.gz MJZFNAFXQZZTJT-HNNXBMFYSA-N 0 3 432.568 -0.604 20 0 IBADHN CNS(=O)(=O)C[C@H]1CCCN1CCC(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000494708868 1072641695 /nfs/dbraw/zinc/64/16/95/1072641695.db2.gz MJZFNAFXQZZTJT-OAHLLOKOSA-N 0 3 432.568 -0.604 20 0 IBADHN COCCN1CCCN(C(=O)[C@H]2CC[C@@H](C(=O)N3CCCN(CCOC)CC3)O2)CC1 ZINC000495140918 1072662929 /nfs/dbraw/zinc/66/29/29/1072662929.db2.gz SJRWKGAXSWEESN-BGYRXZFFSA-N 0 3 440.585 -0.105 20 0 IBADHN COCCN1CCCN(C(=O)[C@@H]2CC[C@@H](C(=O)N3CCCN(CCOC)CC3)O2)CC1 ZINC000495140922 1072663408 /nfs/dbraw/zinc/66/34/08/1072663408.db2.gz SJRWKGAXSWEESN-PMACEKPBSA-N 0 3 440.585 -0.105 20 0 IBADHN COCCN1CCCN(C(=O)[C@H]2CC[C@H](C(=O)N3CCCN(CCOC)CC3)O2)CC1 ZINC000495140923 1072663520 /nfs/dbraw/zinc/66/35/20/1072663520.db2.gz SJRWKGAXSWEESN-WOJBJXKFSA-N 0 3 440.585 -0.105 20 0 IBADHN CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NC[C@H](C)CN2CCN(C)CC2)c1 ZINC000495618713 1072691490 /nfs/dbraw/zinc/69/14/90/1072691490.db2.gz KUOOFNCKYOXONL-KRWDZBQOSA-N 0 3 441.598 -0.122 20 0 IBADHN CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NC[C@@H](C)CN2CCN(C)CC2)c1 ZINC000495618718 1072691287 /nfs/dbraw/zinc/69/12/87/1072691287.db2.gz KUOOFNCKYOXONL-QGZVFWFLSA-N 0 3 441.598 -0.122 20 0 IBADHN CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NCCCN2CCN(C)CC2)c1 ZINC000496078630 1072715627 /nfs/dbraw/zinc/71/56/27/1072715627.db2.gz YRNZCHSYVIFRMH-UHFFFAOYSA-N 0 3 427.571 -0.368 20 0 IBADHN C[C@H]1CN(C(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)CCN1c1nccn2cnnc12 ZINC000496260737 1072726228 /nfs/dbraw/zinc/72/62/28/1072726228.db2.gz CIQBOQSFAGFSAZ-INIZCTEOSA-N 0 3 443.556 -0.696 20 0 IBADHN C[C@@H]1CN(C(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)CCN1c1nccn2cnnc12 ZINC000496260742 1072726044 /nfs/dbraw/zinc/72/60/44/1072726044.db2.gz CIQBOQSFAGFSAZ-MRXNPFEDSA-N 0 3 443.556 -0.696 20 0 IBADHN C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)CC1 ZINC000496268014 1072726252 /nfs/dbraw/zinc/72/62/52/1072726252.db2.gz SSODVRGTELCEIS-GOSISDBHSA-N 0 3 436.601 -0.716 20 0 IBADHN C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)CC1 ZINC000496268015 1072726186 /nfs/dbraw/zinc/72/61/86/1072726186.db2.gz SSODVRGTELCEIS-SFHVURJKSA-N 0 3 436.601 -0.716 20 0 IBADHN Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)s1 ZINC000496285033 1072726669 /nfs/dbraw/zinc/72/66/69/1072726669.db2.gz PUHOSVOSIOMLOB-UHFFFAOYSA-N 0 3 445.611 -0.407 20 0 IBADHN Cn1ccnc1CN1CCC[C@H](NC(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)C1=O ZINC000496286663 1072726545 /nfs/dbraw/zinc/72/65/45/1072726545.db2.gz UPCLZZAJTNDIBJ-INIZCTEOSA-N 0 3 433.557 -0.831 20 0 IBADHN Cn1ccnc1CN1CCC[C@@H](NC(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)C1=O ZINC000496286669 1072726842 /nfs/dbraw/zinc/72/68/42/1072726842.db2.gz UPCLZZAJTNDIBJ-MRXNPFEDSA-N 0 3 433.557 -0.831 20 0 IBADHN CN1CCN(CCNC(=O)C(=O)NCc2cnc(N3CCOCC3)c(F)c2)CC1(C)C ZINC000496299088 1072727233 /nfs/dbraw/zinc/72/72/33/1072727233.db2.gz AJMZDCPMHSTTKO-UHFFFAOYSA-N 0 3 436.532 -0.184 20 0 IBADHN CCOC(=O)c1ccc(N2CC(NC(=O)C(=O)NCCN3CCN(C)C(C)(C)C3)C2)nc1 ZINC000496310867 1072727212 /nfs/dbraw/zinc/72/72/12/1072727212.db2.gz MHJSPHKWMWOUQL-UHFFFAOYSA-N 0 3 446.552 -0.295 20 0 IBADHN CN1CCN(CCNC(=O)C(=O)N[C@@H]2CCCN(Cc3ccccn3)C2=O)CC1(C)C ZINC000496315646 1072727302 /nfs/dbraw/zinc/72/73/02/1072727302.db2.gz UAVWJBPBCOYZOI-GOSISDBHSA-N 0 3 430.553 -0.169 20 0 IBADHN CN1CCN(CCNC(=O)C(=O)N[C@H]2CCCN(Cc3ccccn3)C2=O)CC1(C)C ZINC000496315647 1072727546 /nfs/dbraw/zinc/72/75/46/1072727546.db2.gz UAVWJBPBCOYZOI-SFHVURJKSA-N 0 3 430.553 -0.169 20 0 IBADHN CCOC(=O)[C@@]1(COC)CCCN(C(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)C1 ZINC000496317646 1072727429 /nfs/dbraw/zinc/72/74/29/1072727429.db2.gz AJIDCZRLENKPIA-NRFANRHFSA-N 0 3 426.558 -0.053 20 0 IBADHN CCOC(=O)[C@]1(COC)CCCN(C(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)C1 ZINC000496317647 1072727383 /nfs/dbraw/zinc/72/73/83/1072727383.db2.gz AJIDCZRLENKPIA-OAQYLSRUSA-N 0 3 426.558 -0.053 20 0 IBADHN CN(C[C@@H]1C[C@H](F)CN1Cc1ncccn1)C(=O)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000496322296 1072728021 /nfs/dbraw/zinc/72/80/21/1072728021.db2.gz GQRZVDHPZALAKV-ROUUACIJSA-N 0 3 449.575 -0.010 20 0 IBADHN CN1CCN(CCNC(=O)C(=O)N2CCC[C@H](N3CCCS3(=O)=O)C2)CC1(C)C ZINC000496325393 1072728038 /nfs/dbraw/zinc/72/80/38/1072728038.db2.gz JRPYGCCYUBEJHI-INIZCTEOSA-N 0 3 429.587 -0.845 20 0 IBADHN CN1CCN(CCNC(=O)C(=O)N2CCC[C@@H](N3CCCS3(=O)=O)C2)CC1(C)C ZINC000496325406 1072727909 /nfs/dbraw/zinc/72/79/09/1072727909.db2.gz JRPYGCCYUBEJHI-MRXNPFEDSA-N 0 3 429.587 -0.845 20 0 IBADHN CCn1nccc1N1CCC[C@H](NC(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)C1=O ZINC000496332402 1072727463 /nfs/dbraw/zinc/72/74/63/1072727463.db2.gz REKVBQDTLLZBRU-INIZCTEOSA-N 0 3 433.557 -0.343 20 0 IBADHN CCn1nccc1N1CCC[C@@H](NC(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)C1=O ZINC000496332405 1072727505 /nfs/dbraw/zinc/72/75/05/1072727505.db2.gz REKVBQDTLLZBRU-MRXNPFEDSA-N 0 3 433.557 -0.343 20 0 IBADHN CCOC1CC(CNC(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)(N2CCOCC2)C1 ZINC000496333020 1072727956 /nfs/dbraw/zinc/72/79/56/1072727956.db2.gz RMYQZKPJPOQBFW-UHFFFAOYSA-N 0 3 439.601 -0.485 20 0 IBADHN COCc1noc(CN2CCN(C(=O)C(=O)NCCN3CCN(C)C(C)(C)C3)CC2)n1 ZINC000496333057 1072727967 /nfs/dbraw/zinc/72/79/67/1072727967.db2.gz ROSCKPWJANFKEM-UHFFFAOYSA-N 0 3 437.545 -0.998 20 0 IBADHN C[C@@H](c1cccc(S(N)(=O)=O)c1)N(C)C(=O)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000496349106 1072727871 /nfs/dbraw/zinc/72/78/71/1072727871.db2.gz RMDZLJJGMAWYAW-HNNXBMFYSA-N 0 3 439.582 -0.004 20 0 IBADHN C[C@H](c1cccc(S(N)(=O)=O)c1)N(C)C(=O)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000496349107 1072728062 /nfs/dbraw/zinc/72/80/62/1072728062.db2.gz RMDZLJJGMAWYAW-OAHLLOKOSA-N 0 3 439.582 -0.004 20 0 IBADHN CN1CCN(CCNC(=O)C(=O)N2CCN(CC(=O)N3CCCCC3)CC2)CC1(C)C ZINC000496354639 1072727896 /nfs/dbraw/zinc/72/78/96/1072727896.db2.gz CIZBVIKPNJEBJK-UHFFFAOYSA-N 0 3 436.601 -0.715 20 0 IBADHN CN1CCN(CCNC(=O)C(=O)N2CCN(CC(=O)Nc3ccccc3)CC2)CC1(C)C ZINC000496356015 1072728597 /nfs/dbraw/zinc/72/85/97/1072728597.db2.gz FLQRXJLHMAYGID-UHFFFAOYSA-N 0 3 444.580 -0.089 20 0 IBADHN Cn1ncc2c1ncnc2N1CCN(C(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)CC1 ZINC000496357587 1072728664 /nfs/dbraw/zinc/72/86/64/1072728664.db2.gz HNVHCSKQZUUULH-UHFFFAOYSA-N 0 3 443.556 -0.846 20 0 IBADHN CCN(CC)C(=O)CN1CCCN(C(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)CC1 ZINC000496357605 1072728641 /nfs/dbraw/zinc/72/86/41/1072728641.db2.gz HTOSGYKXAHNHAL-UHFFFAOYSA-N 0 3 438.617 -0.469 20 0 IBADHN Cc1cc(NC(=O)CN2CCN(C(=O)C(=O)NCCN3CCN(C)C(C)(C)C3)CC2)no1 ZINC000496357640 1074355602 /nfs/dbraw/zinc/35/56/02/1074355602.db2.gz IBZAYJOAIHWIST-UHFFFAOYSA-N 0 3 449.556 -0.792 20 0 IBADHN CCOCCCNC(=O)C1CCN(C(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)CC1 ZINC000496360792 1072728682 /nfs/dbraw/zinc/72/86/82/1072728682.db2.gz LVMIDVMWNWTPDI-UHFFFAOYSA-N 0 3 439.601 -0.090 20 0 IBADHN CN1CCN(CCNC(=O)C(=O)N2CCCC[C@H]2CCNS(C)(=O)=O)CC1(C)C ZINC000496374613 1072729199 /nfs/dbraw/zinc/72/91/99/1072729199.db2.gz FHZAZHDAERIFJG-INIZCTEOSA-N 0 3 431.603 -0.551 20 0 IBADHN CN1CCN(CCNC(=O)C(=O)N2CCCC[C@@H]2CCNS(C)(=O)=O)CC1(C)C ZINC000496374614 1072729328 /nfs/dbraw/zinc/72/93/28/1072729328.db2.gz FHZAZHDAERIFJG-MRXNPFEDSA-N 0 3 431.603 -0.551 20 0 IBADHN CN1CCN(CCNC(=O)C(=O)N2CCC(C(=O)Nc3nncs3)CC2)CC1(C)C ZINC000496374832 1072728993 /nfs/dbraw/zinc/72/89/93/1072728993.db2.gz FISKJCWKYWJLIS-UHFFFAOYSA-N 0 3 437.570 -0.143 20 0 IBADHN CN1CCN(C(=O)C2CCN(C(=O)C(=O)NCCN3CCN(C)C(C)(C)C3)CC2)CC1 ZINC000496377190 1072728459 /nfs/dbraw/zinc/72/84/59/1072728459.db2.gz KRTVAGIWUWDDMX-UHFFFAOYSA-N 0 3 436.601 -0.859 20 0 IBADHN COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)C1 ZINC000496394070 1072729297 /nfs/dbraw/zinc/72/92/97/1072729297.db2.gz LFXQKURWPIPYEE-DLBZAZTESA-N 0 3 425.574 -0.482 20 0 IBADHN COCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)C1 ZINC000496394071 1072729091 /nfs/dbraw/zinc/72/90/91/1072729091.db2.gz LFXQKURWPIPYEE-IAGOWNOFSA-N 0 3 425.574 -0.482 20 0 IBADHN COCCNC(=O)[C@H]1CC[C@H](C)N(C(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)C1 ZINC000496394072 1072729113 /nfs/dbraw/zinc/72/91/13/1072729113.db2.gz LFXQKURWPIPYEE-IRXDYDNUSA-N 0 3 425.574 -0.482 20 0 IBADHN COCCNC(=O)[C@H]1CC[C@@H](C)N(C(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)C1 ZINC000496394073 1072729258 /nfs/dbraw/zinc/72/92/58/1072729258.db2.gz LFXQKURWPIPYEE-SJORKVTESA-N 0 3 425.574 -0.482 20 0 IBADHN C[C@H](CN1CCOCC1)C(=O)NC[C@@H]1CSCCN1C(=O)[C@@H](C)CN1CCOCC1 ZINC000496971343 1072741179 /nfs/dbraw/zinc/74/11/79/1072741179.db2.gz RZDYKMFXJADIAT-CEXWTWQISA-N 0 3 442.626 -0.017 20 0 IBADHN C[C@H](CN1CCOCC1)C(=O)NC[C@@H]1CSCCN1C(=O)[C@H](C)CN1CCOCC1 ZINC000496971344 1072741444 /nfs/dbraw/zinc/74/14/44/1072741444.db2.gz RZDYKMFXJADIAT-GUDVDZBRSA-N 0 3 442.626 -0.017 20 0 IBADHN C[C@H](CN1CCOCC1)C(=O)NC[C@H]1CSCCN1C(=O)[C@H](C)CN1CCOCC1 ZINC000496971345 1072741210 /nfs/dbraw/zinc/74/12/10/1072741210.db2.gz RZDYKMFXJADIAT-QRVBRYPASA-N 0 3 442.626 -0.017 20 0 IBADHN C[C@H](CN1CCOCC1)C(=O)NC[C@H]1CSCCN1C(=O)[C@@H](C)CN1CCOCC1 ZINC000496971346 1072741135 /nfs/dbraw/zinc/74/11/35/1072741135.db2.gz RZDYKMFXJADIAT-QYZOEREBSA-N 0 3 442.626 -0.017 20 0 IBADHN Cn1nccc1[C@H]1[C@H](NC(=O)NCCCCN2CCN(CCO)CC2)CC(=O)N1C1CC1 ZINC000497490301 1072767588 /nfs/dbraw/zinc/76/75/88/1072767588.db2.gz BESZLKOHDMIQCK-WIYYLYMNSA-N 0 3 447.584 -0.086 20 0 IBADHN O=C(NCCCCN1CCN(CCO)CC1)N[C@@H]1CCCN(S(=O)(=O)C2CC2)C1 ZINC000497501906 1072767988 /nfs/dbraw/zinc/76/79/88/1072767988.db2.gz GZXGAYOQQIUQBD-QGZVFWFLSA-N 0 3 431.603 -0.368 20 0 IBADHN CN(CCCN1CCN(C)CC1)C(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 ZINC000497694326 1072780828 /nfs/dbraw/zinc/78/08/28/1072780828.db2.gz AKMPTSUYDKRHNS-UHFFFAOYSA-N 0 3 432.573 -0.206 20 0 IBADHN Cn1cc(N2CCC[C@H](NC(=O)C(=O)N3CCN(C(=O)CN4CCCC4)CC3)C2)cn1 ZINC000497700968 1072781678 /nfs/dbraw/zinc/78/16/78/1072781678.db2.gz CRIVROVSAGQCEU-KRWDZBQOSA-N 0 3 431.541 -0.728 20 0 IBADHN Cn1cc(N2CCC[C@@H](NC(=O)C(=O)N3CCN(C(=O)CN4CCCC4)CC3)C2)cn1 ZINC000497700970 1072781612 /nfs/dbraw/zinc/78/16/12/1072781612.db2.gz CRIVROVSAGQCEU-QGZVFWFLSA-N 0 3 431.541 -0.728 20 0 IBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N[C@H]2CCCN(c3cnn(C)c3)C2)CC1 ZINC000497721538 1072783289 /nfs/dbraw/zinc/78/32/89/1072783289.db2.gz UFBSDLLFFZDPTR-KRWDZBQOSA-N 0 3 433.557 -0.482 20 0 IBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N[C@@H]2CCCN(c3cnn(C)c3)C2)CC1 ZINC000497721539 1072783246 /nfs/dbraw/zinc/78/32/46/1072783246.db2.gz UFBSDLLFFZDPTR-QGZVFWFLSA-N 0 3 433.557 -0.482 20 0 IBADHN Cn1cc(N2CCC[C@@H](NC(=O)C(=O)N3CCN(C(=O)[C@@H]4CCCN4C)CC3)C2)cn1 ZINC000497800543 1072787367 /nfs/dbraw/zinc/78/73/67/1072787367.db2.gz LCDGLNBKEZXAFO-AEFFLSMTSA-N 0 3 431.541 -0.730 20 0 IBADHN Cn1cc(N2CCC[C@H](NC(=O)C(=O)N3CCN(C(=O)[C@H]4CCCN4C)CC3)C2)cn1 ZINC000497800546 1072787319 /nfs/dbraw/zinc/78/73/19/1072787319.db2.gz LCDGLNBKEZXAFO-FUHWJXTLSA-N 0 3 431.541 -0.730 20 0 IBADHN Cn1cc(N2CCC[C@@H](NC(=O)C(=O)N3CCN(C(=O)[C@H]4CCCN4C)CC3)C2)cn1 ZINC000497800548 1072787288 /nfs/dbraw/zinc/78/72/88/1072787288.db2.gz LCDGLNBKEZXAFO-SJLPKXTDSA-N 0 3 431.541 -0.730 20 0 IBADHN Cn1cc(N2CCC[C@H](NC(=O)C(=O)N3CCN(C(=O)[C@@H]4CCCN4C)CC3)C2)cn1 ZINC000497800550 1072787413 /nfs/dbraw/zinc/78/74/13/1072787413.db2.gz LCDGLNBKEZXAFO-WMZOPIPTSA-N 0 3 431.541 -0.730 20 0 IBADHN CO[C@H]1C[C@@H](CN(C)C(=O)NC2CCN(S(=O)(=O)N3CCOCC3)CC2)N(C)C1 ZINC000497825495 1072787832 /nfs/dbraw/zinc/78/78/32/1072787832.db2.gz DTFVJTPFXUNCNL-IRXDYDNUSA-N 0 3 433.575 -0.612 20 0 IBADHN CCN1CCN(CCNC(=O)C(=O)Nc2ccc(F)c(S(=O)(=O)N(C)C)c2)CC1 ZINC000497867103 1072790961 /nfs/dbraw/zinc/79/09/61/1072790961.db2.gz GWAHFENEBWXAKP-UHFFFAOYSA-N 0 3 429.518 -0.232 20 0 IBADHN CCN1CCN([C@H](C)CNC(=O)C(=O)Nc2ccc(F)c(S(=O)(=O)NC)c2)CC1 ZINC000497890132 1072791133 /nfs/dbraw/zinc/79/11/33/1072791133.db2.gz LOXDGGRZKUYMGR-CYBMUJFWSA-N 0 3 429.518 -0.186 20 0 IBADHN CCN1CCN([C@@H](C)CNC(=O)C(=O)Nc2ccc(F)c(S(=O)(=O)NC)c2)CC1 ZINC000497890133 1072791506 /nfs/dbraw/zinc/79/15/06/1072791506.db2.gz LOXDGGRZKUYMGR-ZDUSSCGKSA-N 0 3 429.518 -0.186 20 0 IBADHN CN(C)S(=O)(=O)c1cc(NC(=O)C(=O)NCCCN2CCN(C)CC2)ccc1F ZINC000497914419 1072792619 /nfs/dbraw/zinc/79/26/19/1072792619.db2.gz NYLOAJJTBIMUCJ-UHFFFAOYSA-N 0 3 429.518 -0.232 20 0 IBADHN CN1CCN(CCCNC(=O)C(=O)N2C[C@@H](C[C@H]3COCC(=O)N3)c3ccccc32)CC1 ZINC000497915200 1072792649 /nfs/dbraw/zinc/79/26/49/1072792649.db2.gz RRXCZSMCEGYFEY-MSOLQXFVSA-N 0 3 443.548 -0.224 20 0 IBADHN CN1CCN(CCCNC(=O)C(=O)N2C[C@@H](C[C@@H]3COCC(=O)N3)c3ccccc32)CC1 ZINC000497915201 1072792535 /nfs/dbraw/zinc/79/25/35/1072792535.db2.gz RRXCZSMCEGYFEY-QZTJIDSGSA-N 0 3 443.548 -0.224 20 0 IBADHN CN1CCN(CCCNC(=O)C(=O)N2C[C@H](C[C@H]3COCC(=O)N3)c3ccccc32)CC1 ZINC000497915202 1072792517 /nfs/dbraw/zinc/79/25/17/1072792517.db2.gz RRXCZSMCEGYFEY-ROUUACIJSA-N 0 3 443.548 -0.224 20 0 IBADHN CN1CCN(CCCNC(=O)C(=O)N2C[C@H](C[C@@H]3COCC(=O)N3)c3ccccc32)CC1 ZINC000497915203 1072792674 /nfs/dbraw/zinc/79/26/74/1072792674.db2.gz RRXCZSMCEGYFEY-ZWKOTPCHSA-N 0 3 443.548 -0.224 20 0 IBADHN CN1C(=O)C(=O)N(CC(=O)N2CCC[C@@H](CN3CCN(c4ccccn4)CC3)C2)C1=O ZINC000498042481 1072797676 /nfs/dbraw/zinc/79/76/76/1072797676.db2.gz DHVGZZJXJJAZOW-INIZCTEOSA-N 0 3 428.493 -0.137 20 0 IBADHN CN1C(=O)C(=O)N(CC(=O)N2CCC[C@H](CN3CCN(c4ccccn4)CC3)C2)C1=O ZINC000498042485 1072797707 /nfs/dbraw/zinc/79/77/07/1072797707.db2.gz DHVGZZJXJJAZOW-MRXNPFEDSA-N 0 3 428.493 -0.137 20 0 IBADHN COCCNC(=O)c1cccc(NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)c1 ZINC000498252010 1072819664 /nfs/dbraw/zinc/81/96/64/1072819664.db2.gz GERSLGWEOBWKQD-UHFFFAOYSA-N 0 3 445.520 -0.232 20 0 IBADHN CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NCCN2CCN(CC)CC2)c1 ZINC000498298183 1072825784 /nfs/dbraw/zinc/82/57/84/1072825784.db2.gz OZUWCHUORDUXEZ-UHFFFAOYSA-N 0 3 427.571 -0.368 20 0 IBADHN CCN1CCN([C@@H](C)CNC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)CC1 ZINC000498374308 1072836490 /nfs/dbraw/zinc/83/64/90/1072836490.db2.gz QYIBNHSVSFPYOB-INIZCTEOSA-N 0 3 437.566 -0.437 20 0 IBADHN CCN1CCN([C@H](C)CNC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)CC1 ZINC000498374312 1072836835 /nfs/dbraw/zinc/83/68/35/1072836835.db2.gz QYIBNHSVSFPYOB-MRXNPFEDSA-N 0 3 437.566 -0.437 20 0 IBADHN CCN1CCN(C[C@@H](C)CNC(=O)Cn2c3ccc(S(N)(=O)=O)cc3oc2=O)CC1 ZINC000498434454 1072842401 /nfs/dbraw/zinc/84/24/01/1072842401.db2.gz IXTZASJKKDYQAA-AWEZNQCLSA-N 0 3 439.538 -0.368 20 0 IBADHN CCN1CCN(C[C@H](C)CNC(=O)Cn2c3ccc(S(N)(=O)=O)cc3oc2=O)CC1 ZINC000498434457 1072842411 /nfs/dbraw/zinc/84/24/11/1072842411.db2.gz IXTZASJKKDYQAA-CQSZACIVSA-N 0 3 439.538 -0.368 20 0 IBADHN CCN1CCN(CCNC(=O)c2cc(S(N)(=O)=O)ccc2N2CCOCC2)CC1 ZINC000498504566 1072850472 /nfs/dbraw/zinc/85/04/72/1072850472.db2.gz IMIRKKLBJKJVHK-UHFFFAOYSA-N 0 3 425.555 -0.462 20 0 IBADHN CCN1CCN([C@@H](C)CNC(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)CC1 ZINC000498507734 1072285294 /nfs/dbraw/zinc/28/52/94/1072285294.db2.gz DHFZAYRKMJQQLA-INIZCTEOSA-N 0 3 437.566 -0.437 20 0 IBADHN CCN1CCN([C@H](C)CNC(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)CC1 ZINC000498507736 1072285354 /nfs/dbraw/zinc/28/53/54/1072285354.db2.gz DHFZAYRKMJQQLA-MRXNPFEDSA-N 0 3 437.566 -0.437 20 0 IBADHN CCN1CCN([C@H](C)CNC(=O)Cn2c3ccc(S(N)(=O)=O)cc3oc2=O)CC1 ZINC000498508195 1072851023 /nfs/dbraw/zinc/85/10/23/1072851023.db2.gz UDMLVVQMPUWLBA-CYBMUJFWSA-N 0 3 425.511 -0.616 20 0 IBADHN CCN1CCN([C@@H](C)CNC(=O)Cn2c3ccc(S(N)(=O)=O)cc3oc2=O)CC1 ZINC000498508201 1072850730 /nfs/dbraw/zinc/85/07/30/1072850730.db2.gz UDMLVVQMPUWLBA-ZDUSSCGKSA-N 0 3 425.511 -0.616 20 0 IBADHN CCN1CCN(CCNC(=O)[C@@H]2CCCC[C@@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)CC1 ZINC000498516942 1072852008 /nfs/dbraw/zinc/85/20/08/1072852008.db2.gz ODGHYCNBYBYHHQ-KSZLIROESA-N 0 3 428.599 -0.150 20 0 IBADHN CCN1CCN(CCNC(=O)[C@@H]2CCCC[C@@H]2C(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000498516945 1072852057 /nfs/dbraw/zinc/85/20/57/1072852057.db2.gz ODGHYCNBYBYHHQ-KURKYZTESA-N 0 3 428.599 -0.150 20 0 IBADHN CCN1CCN(CCNC(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000498516946 1072852086 /nfs/dbraw/zinc/85/20/86/1072852086.db2.gz ODGHYCNBYBYHHQ-KZNAEPCWSA-N 0 3 428.599 -0.150 20 0 IBADHN CCN1CCN(CCNC(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)CC1 ZINC000498516947 1072851970 /nfs/dbraw/zinc/85/19/70/1072851970.db2.gz ODGHYCNBYBYHHQ-RCCFBDPRSA-N 0 3 428.599 -0.150 20 0 IBADHN CCN1CCN([C@@H](C)CNC(=O)c2cc(S(N)(=O)=O)ccc2N2CCOCC2)CC1 ZINC000498528038 1072288269 /nfs/dbraw/zinc/28/82/69/1072288269.db2.gz SLXOFQBSSRSUFA-INIZCTEOSA-N 0 3 439.582 -0.074 20 0 IBADHN CCN1CCN([C@H](C)CNC(=O)c2cc(S(N)(=O)=O)ccc2N2CCOCC2)CC1 ZINC000498528045 1072288190 /nfs/dbraw/zinc/28/81/90/1072288190.db2.gz SLXOFQBSSRSUFA-MRXNPFEDSA-N 0 3 439.582 -0.074 20 0 IBADHN C[C@@H](CNC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)CN1CCN(C)CC1 ZINC000498630500 1072869492 /nfs/dbraw/zinc/86/94/92/1072869492.db2.gz MZPWKPWIMMEQAC-INIZCTEOSA-N 0 3 437.566 -0.580 20 0 IBADHN C[C@H](CNC(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)CN1CCN(C)CC1 ZINC000498630506 1072869544 /nfs/dbraw/zinc/86/95/44/1072869544.db2.gz MZPWKPWIMMEQAC-MRXNPFEDSA-N 0 3 437.566 -0.580 20 0 IBADHN C[C@@H](O)C(=O)N1CCN(C(=O)C(=O)Nc2ccc3oc(=O)n(CCN(C)C)c3c2)CC1 ZINC000498661574 1072873421 /nfs/dbraw/zinc/87/34/21/1072873421.db2.gz PFDXVHIYDFJQSP-CYBMUJFWSA-N 0 3 433.465 -0.854 20 0 IBADHN C[C@H](O)C(=O)N1CCN(C(=O)C(=O)Nc2ccc3oc(=O)n(CCN(C)C)c3c2)CC1 ZINC000498661575 1072873229 /nfs/dbraw/zinc/87/32/29/1072873229.db2.gz PFDXVHIYDFJQSP-ZDUSSCGKSA-N 0 3 433.465 -0.854 20 0 IBADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)N3CCN(C(=O)[C@H](C)O)CC3)cc2)CC1 ZINC000498669701 1072874334 /nfs/dbraw/zinc/87/43/34/1072874334.db2.gz XCHUEHBSKYPZQF-KRWDZBQOSA-N 0 3 431.537 -0.186 20 0 IBADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)N3CCN(C(=O)[C@@H](C)O)CC3)cc2)CC1 ZINC000498669703 1072874274 /nfs/dbraw/zinc/87/42/74/1072874274.db2.gz XCHUEHBSKYPZQF-QGZVFWFLSA-N 0 3 431.537 -0.186 20 0 IBADHN CNS(=O)(=O)c1cc(NC(=O)C(=O)NC[C@@H](C)CN2CCN(C)CC2)ccc1F ZINC000498682446 1072876826 /nfs/dbraw/zinc/87/68/26/1072876826.db2.gz ILXMDCMYAIXRTB-CYBMUJFWSA-N 0 3 429.518 -0.328 20 0 IBADHN CNS(=O)(=O)c1cc(NC(=O)C(=O)NC[C@H](C)CN2CCN(C)CC2)ccc1F ZINC000498682447 1072876580 /nfs/dbraw/zinc/87/65/80/1072876580.db2.gz ILXMDCMYAIXRTB-ZDUSSCGKSA-N 0 3 429.518 -0.328 20 0 IBADHN C[C@H](O)C(=O)N1CCN(C(=O)C(=O)Nc2cccc(CN3CCC(C(N)=O)CC3)c2)CC1 ZINC000498697625 1072881065 /nfs/dbraw/zinc/88/10/65/1072881065.db2.gz XTNBQEDDSDZEEF-HNNXBMFYSA-N 0 3 445.520 -0.626 20 0 IBADHN C[C@@H](O)C(=O)N1CCN(C(=O)C(=O)Nc2cccc(CN3CCC(C(N)=O)CC3)c2)CC1 ZINC000498697628 1072880960 /nfs/dbraw/zinc/88/09/60/1072880960.db2.gz XTNBQEDDSDZEEF-OAHLLOKOSA-N 0 3 445.520 -0.626 20 0 IBADHN O=C(CN1CCN(C(=O)CN2CCC[C@@H](c3n[nH]c(C4CC4)n3)C2)CC1)N1CCOCC1 ZINC000498914211 1073383823 /nfs/dbraw/zinc/38/38/23/1073383823.db2.gz REKBOQZVFXHLDJ-GOSISDBHSA-N 0 3 445.568 -0.136 20 0 IBADHN O=C(CN1CCN(C(=O)CN2CCC[C@@H](c3nc(C4CC4)n[nH]3)C2)CC1)N1CCOCC1 ZINC000498914211 1073383818 /nfs/dbraw/zinc/38/38/18/1073383818.db2.gz REKBOQZVFXHLDJ-GOSISDBHSA-N 0 3 445.568 -0.136 20 0 IBADHN O=C(CN1CCN(C(=O)CN2CCC[C@H](c3n[nH]c(C4CC4)n3)C2)CC1)N1CCOCC1 ZINC000498914212 1073383931 /nfs/dbraw/zinc/38/39/31/1073383931.db2.gz REKBOQZVFXHLDJ-SFHVURJKSA-N 0 3 445.568 -0.136 20 0 IBADHN O=C(CN1CCN(C(=O)CN2CCC[C@H](c3nc(C4CC4)n[nH]3)C2)CC1)N1CCOCC1 ZINC000498914212 1073383924 /nfs/dbraw/zinc/38/39/24/1073383924.db2.gz REKBOQZVFXHLDJ-SFHVURJKSA-N 0 3 445.568 -0.136 20 0 IBADHN Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)N1CCC(C(=O)NCC[NH+](C)C)CC1 ZINC000499133877 1072928015 /nfs/dbraw/zinc/92/80/15/1072928015.db2.gz MRRKYTSHFMJUQG-ZDUSSCGKSA-N 0 3 429.543 -0.125 20 0 IBADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000499201953 1072934935 /nfs/dbraw/zinc/93/49/35/1072934935.db2.gz KNFGLQTUPBXTRJ-AWEZNQCLSA-N 0 3 432.481 -0.860 20 0 IBADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000499201954 1072934725 /nfs/dbraw/zinc/93/47/25/1072934725.db2.gz KNFGLQTUPBXTRJ-CQSZACIVSA-N 0 3 432.481 -0.860 20 0 IBADHN COCCNC(=O)c1cccc(NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)c1 ZINC000499390123 1073126005 /nfs/dbraw/zinc/12/60/05/1073126005.db2.gz SGBRDGMYBWBWTM-GOSISDBHSA-N 0 3 445.520 -0.234 20 0 IBADHN COCCNC(=O)c1cccc(NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)c1 ZINC000499390124 1073125990 /nfs/dbraw/zinc/12/59/90/1073125990.db2.gz SGBRDGMYBWBWTM-SFHVURJKSA-N 0 3 445.520 -0.234 20 0 IBADHN CNC(=O)[C@@H]1CCC[C@H]1Nc1nc(N[C@H]2CCC[C@H]2C(=O)NC)nc(N2CCOCC2)n1 ZINC000499651149 1073194206 /nfs/dbraw/zinc/19/42/06/1073194206.db2.gz AZCGZIMBLJKRLD-FPCVCCKLSA-N 0 3 446.556 -0.795 20 0 IBADHN CNC(=O)[C@@H]1CCC[C@@H]1Nc1nc(N[C@H]2CCC[C@@H]2C(=O)NC)nc(N2CCOCC2)n1 ZINC000499651155 1073194280 /nfs/dbraw/zinc/19/42/80/1073194280.db2.gz AZCGZIMBLJKRLD-FZKCQIBNSA-N 0 3 446.556 -0.795 20 0 IBADHN CNC(=O)[C@@H]1CCC[C@@H]1Nc1nc(N[C@@H]2CCC[C@@H]2C(=O)NC)nc(N2CCOCC2)n1 ZINC000499651157 1073194130 /nfs/dbraw/zinc/19/41/30/1073194130.db2.gz AZCGZIMBLJKRLD-SYMSYNOKSA-N 0 3 446.556 -0.795 20 0 IBADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000499932761 1073227890 /nfs/dbraw/zinc/22/78/90/1073227890.db2.gz TXZIBCQSRPAIPV-KRWDZBQOSA-N 0 3 438.550 -0.010 20 0 IBADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000499932762 1073227910 /nfs/dbraw/zinc/22/79/10/1073227910.db2.gz TXZIBCQSRPAIPV-QGZVFWFLSA-N 0 3 438.550 -0.010 20 0 IBADHN COCCN(C)CCOc1cccc(CNS(=O)(=O)N2CCS(=O)(=O)CC2)c1 ZINC000500055874 1071366284 /nfs/dbraw/zinc/36/62/84/1071366284.db2.gz PUGQWSLXUGNLFM-UHFFFAOYSA-N 0 3 435.568 -0.292 20 0 IBADHN CN(CCN1CCN(S(=O)(=O)N2CCS(=O)(=O)CC2)CC1)Cc1ccccc1 ZINC000500078285 1071368731 /nfs/dbraw/zinc/36/87/31/1071368731.db2.gz WDILSJYBQAIJKC-UHFFFAOYSA-N 0 3 430.596 -0.289 20 0 IBADHN C[C@H](CN1CCCC1=O)Nc1nc(N[C@@H](C)CN2CCCC2=O)nc(N2CCOCC2)n1 ZINC000500254362 1071376859 /nfs/dbraw/zinc/37/68/59/1071376859.db2.gz QHQSUOIXBWHHMC-IYBDPMFKSA-N 0 3 446.556 -0.602 20 0 IBADHN CCC(=O)N1CC[C@@H](Nc2nc(N[C@H]3CCN(C(=O)CC)C3)nc(N3CCOCC3)n2)C1 ZINC000500265983 1071378502 /nfs/dbraw/zinc/37/85/02/1071378502.db2.gz HCMOGYVEVPKXBQ-IYBDPMFKSA-N 0 3 446.556 -0.602 20 0 IBADHN COC(=O)CCN1CC[C@H](NC(=O)C(=O)Nc2ccc(OC3CCN(C)CC3)nc2)C1=O ZINC000500359487 1071392973 /nfs/dbraw/zinc/39/29/73/1071392973.db2.gz REIRNVDQANXXLG-INIZCTEOSA-N 0 3 447.492 -0.227 20 0 IBADHN COC(=O)CCN1CC[C@@H](NC(=O)C(=O)Nc2ccc(OC3CCN(C)CC3)nc2)C1=O ZINC000500359496 1071392955 /nfs/dbraw/zinc/39/29/55/1071392955.db2.gz REIRNVDQANXXLG-MRXNPFEDSA-N 0 3 447.492 -0.227 20 0 IBADHN CCN1CCN(Cc2ccc(CNS(=O)(=O)N3CCS(=O)(=O)CC3)cc2)CC1 ZINC000500377229 1071394569 /nfs/dbraw/zinc/39/45/69/1071394569.db2.gz XCSPMRPGLHBLKN-UHFFFAOYSA-N 0 3 430.596 -0.111 20 0 IBADHN CN(C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C)C1CCN(CCc2ccccn2)CC1 ZINC000500765534 1071516921 /nfs/dbraw/zinc/51/69/21/1071516921.db2.gz OPQUFECPSCPZOO-UHFFFAOYSA-N 0 3 439.520 -0.006 20 0 IBADHN CN(C(=O)Cn1c(=O)c2c(ncn2C)n(C)c1=O)C1CCN(CCc2ccccn2)CC1 ZINC000500765963 1071516980 /nfs/dbraw/zinc/51/69/80/1071516980.db2.gz PPLDTSYQYZKHBQ-UHFFFAOYSA-N 0 3 439.520 -0.006 20 0 IBADHN CC(C)(C)NC(=O)CN1CCN(C(=O)CN2CCC(O)(CN3CCOCC3)CC2)CC1 ZINC000501053895 1071648049 /nfs/dbraw/zinc/64/80/49/1071648049.db2.gz SLZMZNLPKUWULP-UHFFFAOYSA-N 0 3 439.601 -0.796 20 0 IBADHN CS(=O)(=O)N1CCN(CC(=O)NCCCN2CCN(Cc3ccccc3)CC2)CC1 ZINC000501395545 1071655501 /nfs/dbraw/zinc/65/55/01/1071655501.db2.gz BLWTUXPAQQHBFI-UHFFFAOYSA-N 0 3 437.610 -0.112 20 0 IBADHN CNS(=O)(=O)c1cc(NC(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)ccc1F ZINC000501492280 1071659003 /nfs/dbraw/zinc/65/90/03/1071659003.db2.gz PZAHQLRFIWQAEZ-UHFFFAOYSA-N 0 3 429.518 -0.186 20 0 IBADHN C[C@H](NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1)c1nnnn1-c1ccccc1 ZINC000502110900 1071681776 /nfs/dbraw/zinc/68/17/76/1071681776.db2.gz LADKAALUAKJGGN-DOTOQJQBSA-N 0 3 440.508 -0.396 20 0 IBADHN C[C@@H](NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1)c1nnnn1-c1ccccc1 ZINC000502110905 1071681807 /nfs/dbraw/zinc/68/18/07/1071681807.db2.gz LADKAALUAKJGGN-NVXWUHKLSA-N 0 3 440.508 -0.396 20 0 IBADHN C[C@H](NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1)c1nnnn1-c1ccccc1 ZINC000502110907 1071681711 /nfs/dbraw/zinc/68/17/11/1071681711.db2.gz LADKAALUAKJGGN-RDJZCZTQSA-N 0 3 440.508 -0.396 20 0 IBADHN C[C@@H](NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1)c1nnnn1-c1ccccc1 ZINC000502110908 1071681757 /nfs/dbraw/zinc/68/17/57/1071681757.db2.gz LADKAALUAKJGGN-WBVHZDCISA-N 0 3 440.508 -0.396 20 0 IBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N[C@@H](C)c2nnnn2-c2ccccc2)CC1 ZINC000502142569 1071683833 /nfs/dbraw/zinc/68/38/33/1071683833.db2.gz SLNHNASCRBXWTC-INIZCTEOSA-N 0 3 442.524 -0.148 20 0 IBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N[C@H](C)c2nnnn2-c2ccccc2)CC1 ZINC000502142570 1071683823 /nfs/dbraw/zinc/68/38/23/1071683823.db2.gz SLNHNASCRBXWTC-MRXNPFEDSA-N 0 3 442.524 -0.148 20 0 IBADHN C[C@H](NC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1)c1nnnn1-c1ccccc1 ZINC000502154733 1071684382 /nfs/dbraw/zinc/68/43/82/1071684382.db2.gz MWEAKNGSZFXDRB-INIZCTEOSA-N 0 3 440.508 -0.394 20 0 IBADHN C[C@@H](NC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1)c1nnnn1-c1ccccc1 ZINC000502154734 1071684388 /nfs/dbraw/zinc/68/43/88/1071684388.db2.gz MWEAKNGSZFXDRB-MRXNPFEDSA-N 0 3 440.508 -0.394 20 0 IBADHN O=C(CN1CCCC1)N1CCN(C(=O)NCCS(=O)(=O)N2CCSCC2)CC1 ZINC000502254718 1071687816 /nfs/dbraw/zinc/68/78/16/1071687816.db2.gz OOGIWGGYNQQQCO-UHFFFAOYSA-N 0 3 433.600 -0.685 20 0 IBADHN CCN1CC[C@H]2OCCN(C(=O)c3cccc(S(=O)(=O)N4CCNC(=O)C4)c3)[C@H]2C1 ZINC000502515557 1071695248 /nfs/dbraw/zinc/69/52/48/1071695248.db2.gz IAVMORYIUODQDU-ZWKOTPCHSA-N 0 3 436.534 -0.258 20 0 IBADHN CCN1CC[C@H]2OCCN(C(=O)c3ccc(S(=O)(=O)N4CCNC(=O)C4)cc3)[C@H]2C1 ZINC000502594506 1071696270 /nfs/dbraw/zinc/69/62/70/1071696270.db2.gz JDSLTJQJKDHTOC-ZWKOTPCHSA-N 0 3 436.534 -0.258 20 0 IBADHN CCN1CC[C@H]2OCCN(C(=O)CNC(=O)c3cccc(S(=O)(=O)N(C)C)c3)[C@H]2C1 ZINC000502637143 1071697390 /nfs/dbraw/zinc/69/73/90/1071697390.db2.gz NJHLYLZODYKNOF-ZWKOTPCHSA-N 0 3 438.550 -0.012 20 0 IBADHN CCN1CC[C@H]2OCCN(C(=O)CNS(=O)(=O)c3ccc(CNC(C)=O)s3)[C@H]2C1 ZINC000502720052 1071700830 /nfs/dbraw/zinc/70/08/30/1071700830.db2.gz DLEYOQDMPZGSEV-JKSUJKDBSA-N 0 3 444.579 -0.016 20 0 IBADHN O=C(CN1CCCC1)N1CCN(C(=O)NCCN2CCN(c3ncccn3)CC2)CC1 ZINC000503182868 1071714113 /nfs/dbraw/zinc/71/41/13/1071714113.db2.gz AKYVWZQNHPHKRE-UHFFFAOYSA-N 0 3 430.557 -0.452 20 0 IBADHN O=C(CN1CCCC1)N1CCN(C(=O)NCCCN2CCN(c3ncccn3)CC2)CC1 ZINC000503193855 1071716254 /nfs/dbraw/zinc/71/62/54/1071716254.db2.gz UNVOUMPHIHDJGI-UHFFFAOYSA-N 0 3 444.584 -0.062 20 0 IBADHN CNS(=O)(=O)c1cccc(NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)c1 ZINC000503589483 1071726253 /nfs/dbraw/zinc/72/62/53/1071726253.db2.gz BIJGOMMHRYRVFI-UHFFFAOYSA-N 0 3 437.522 -0.700 20 0 IBADHN COC(=O)[C@@H]1CN(C(=O)C(=O)Nc2cccc(CN3CCC(C(N)=O)CC3)c2)CCO1 ZINC000503591055 1071726183 /nfs/dbraw/zinc/72/61/83/1071726183.db2.gz OXIGLWLPPAEFAS-KRWDZBQOSA-N 0 3 432.477 -0.277 20 0 IBADHN COC(=O)[C@H]1CN(C(=O)C(=O)Nc2cccc(CN3CCC(C(N)=O)CC3)c2)CCO1 ZINC000503591056 1071726242 /nfs/dbraw/zinc/72/62/42/1071726242.db2.gz OXIGLWLPPAEFAS-QGZVFWFLSA-N 0 3 432.477 -0.277 20 0 IBADHN CN(C)C(=O)COc1cccc(NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)c1 ZINC000503595767 1071726787 /nfs/dbraw/zinc/72/67/87/1071726787.db2.gz IVOCNBNERUCDTD-UHFFFAOYSA-N 0 3 445.520 -0.141 20 0 IBADHN Cc1ccc(NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)cc1-n1cnnn1 ZINC000503600286 1071727636 /nfs/dbraw/zinc/72/76/36/1071727636.db2.gz AHUIYVCNOKKJAE-UHFFFAOYSA-N 0 3 426.481 -0.324 20 0 IBADHN CNC(=O)[C@H]1CN(C(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)c2ccccc2O1 ZINC000503600728 1071727773 /nfs/dbraw/zinc/72/77/73/1071727773.db2.gz HLRTXGAJMDRAFP-GOSISDBHSA-N 0 3 443.504 -0.707 20 0 IBADHN CNC(=O)[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)c2ccccc2O1 ZINC000503600729 1071727569 /nfs/dbraw/zinc/72/75/69/1071727569.db2.gz HLRTXGAJMDRAFP-SFHVURJKSA-N 0 3 443.504 -0.707 20 0 IBADHN CS(=O)(=O)c1ccc(F)c(NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)c1 ZINC000503600749 1071727694 /nfs/dbraw/zinc/72/76/94/1071727694.db2.gz HRGOVZHRURWVDL-UHFFFAOYSA-N 0 3 440.497 -0.066 20 0 IBADHN CNC(=O)c1ccc(OC)c(NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)c1 ZINC000503601919 1071727758 /nfs/dbraw/zinc/72/77/58/1071727758.db2.gz PVUVEYZHCDOAHO-UHFFFAOYSA-N 0 3 431.493 -0.240 20 0 IBADHN O=C(CN1CCCC1)N1CCN(C(=O)C(=O)Nc2ccc(N3CCNC3=O)cc2)CC1 ZINC000503602504 1071727620 /nfs/dbraw/zinc/72/76/20/1071727620.db2.gz UHISHIRKULNMFC-UHFFFAOYSA-N 0 3 428.493 -0.079 20 0 IBADHN CCNC(=O)COc1cccc(NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)c1 ZINC000503605809 1071726794 /nfs/dbraw/zinc/72/67/94/1071726794.db2.gz BVGCSPOFYJXKPQ-UHFFFAOYSA-N 0 3 445.520 -0.093 20 0 IBADHN COC(=O)COc1ccc(NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)cc1 ZINC000503607332 1071726733 /nfs/dbraw/zinc/72/67/33/1071726733.db2.gz IFAGVSHVSCTLOQ-UHFFFAOYSA-N 0 3 432.477 -0.057 20 0 IBADHN CCNC(=O)COc1ccc(NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)cc1 ZINC000503607846 1071726755 /nfs/dbraw/zinc/72/67/55/1071726755.db2.gz JJJRIZAYAYMTOK-UHFFFAOYSA-N 0 3 445.520 -0.093 20 0 IBADHN CN(C)C(=O)COc1ccc(NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)cc1 ZINC000503608096 1071726745 /nfs/dbraw/zinc/72/67/45/1071726745.db2.gz JQNXCVMFIFWCBC-UHFFFAOYSA-N 0 3 445.520 -0.141 20 0 IBADHN O=C(CN1CCCC1)N1CCN(C(=O)C(=O)Nc2cccnc2N2CCOCC2)CC1 ZINC000503608691 1071726722 /nfs/dbraw/zinc/72/67/22/1071726722.db2.gz KZCLOIYQQYWHQA-UHFFFAOYSA-N 0 3 430.509 -0.377 20 0 IBADHN COc1ccc(NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)cc1OCC(N)=O ZINC000503614906 1071727192 /nfs/dbraw/zinc/72/71/92/1071727192.db2.gz YNQZKZRVNSRTGB-UHFFFAOYSA-N 0 3 447.492 -0.736 20 0 IBADHN CS(=O)(=O)Cc1cccc(NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)c1 ZINC000503616876 1071728599 /nfs/dbraw/zinc/72/85/99/1071728599.db2.gz WOMWJIUNUNJBHY-UHFFFAOYSA-N 0 3 436.534 -0.064 20 0 IBADHN COC(=O)COc1cccc(NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)c1 ZINC000503624749 1071727604 /nfs/dbraw/zinc/72/76/04/1071727604.db2.gz ADCWBPKVCFXRNF-UHFFFAOYSA-N 0 3 432.477 -0.057 20 0 IBADHN Cc1nnnn1-c1cccc(NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)c1 ZINC000503625225 1071727729 /nfs/dbraw/zinc/72/77/29/1071727729.db2.gz BXTUUBXAXAHZKQ-UHFFFAOYSA-N 0 3 426.481 -0.324 20 0 IBADHN Cc1nnnn1-c1cc(NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)ccc1F ZINC000503629105 1071728201 /nfs/dbraw/zinc/72/82/01/1071728201.db2.gz OLEZNWQELMUTLW-UHFFFAOYSA-N 0 3 444.471 -0.185 20 0 IBADHN CS(=O)(=O)Cc1ccc(NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)cc1 ZINC000503641963 1071728709 /nfs/dbraw/zinc/72/87/09/1071728709.db2.gz JFDURJQJKQFHNE-UHFFFAOYSA-N 0 3 436.534 -0.064 20 0 IBADHN CS(=O)(=O)Cc1ccccc1NC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000503642561 1071728632 /nfs/dbraw/zinc/72/86/32/1071728632.db2.gz LUAIMDUXZZFUMJ-UHFFFAOYSA-N 0 3 436.534 -0.064 20 0 IBADHN CN1C(=O)c2ccc(NC(=O)C(=O)N3CCN(C(=O)CN4CCCC4)CC3)cc2C1=O ZINC000503642651 1071729117 /nfs/dbraw/zinc/72/91/17/1071729117.db2.gz JAYWETOEKPSTRX-UHFFFAOYSA-N 0 3 427.461 -0.383 20 0 IBADHN O=C(CN1CCCC1)N1CCN(C(=O)C(=O)Nc2ccc(N3CCOCC3)nc2)CC1 ZINC000503642662 1071729214 /nfs/dbraw/zinc/72/92/14/1071729214.db2.gz JDKUYLHHAPTNAM-UHFFFAOYSA-N 0 3 430.509 -0.377 20 0 IBADHN Cn1c2ccc(NC(=O)C(=O)N3CCN(C(=O)CN4CCCC4)CC3)cc2n(C)c1=O ZINC000503643093 1071728504 /nfs/dbraw/zinc/72/85/04/1071728504.db2.gz NONVLCSEUJMHDA-UHFFFAOYSA-N 0 3 428.493 -0.418 20 0 IBADHN O=C(CN1CCCC1)N1CCN(C(=O)C(=O)Nc2cccc(N3CCNC3=O)c2)CC1 ZINC000503645283 1071729157 /nfs/dbraw/zinc/72/91/57/1071729157.db2.gz VQNFVKMHJWAYPV-UHFFFAOYSA-N 0 3 428.493 -0.079 20 0 IBADHN NC(=O)CCOc1ccccc1NC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000503645989 1071729268 /nfs/dbraw/zinc/72/92/68/1071729268.db2.gz YKYMHHMJXFYXPC-UHFFFAOYSA-N 0 3 431.493 -0.354 20 0 IBADHN CNC(=O)CNC(=O)c1cccc(NC(=O)C(=O)N(CCN(C)C)C[C@@H]2CCCO2)c1 ZINC000504007929 1071735645 /nfs/dbraw/zinc/73/56/45/1071735645.db2.gz USPJNHCNEWLJQT-KRWDZBQOSA-N 0 3 433.509 -0.330 20 0 IBADHN CNC(=O)CNC(=O)c1cccc(NC(=O)C(=O)N(CCN(C)C)C[C@H]2CCCO2)c1 ZINC000504007930 1071735719 /nfs/dbraw/zinc/73/57/19/1071735719.db2.gz USPJNHCNEWLJQT-QGZVFWFLSA-N 0 3 433.509 -0.330 20 0 IBADHN CN(CCNC(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1)Cc1ccccc1 ZINC000504178037 1071740015 /nfs/dbraw/zinc/74/00/15/1071740015.db2.gz WMPNGMIHLAIBQT-UHFFFAOYSA-N 0 3 438.598 -0.062 20 0 IBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000504236256 1071741057 /nfs/dbraw/zinc/74/10/57/1071741057.db2.gz MQBJMQTUWQQHFJ-HNNXBMFYSA-N 0 3 435.616 -0.393 20 0 IBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000504236258 1071741024 /nfs/dbraw/zinc/74/10/24/1071741024.db2.gz MQBJMQTUWQQHFJ-OAHLLOKOSA-N 0 3 435.616 -0.393 20 0 IBADHN CCN(CC)CC(=O)N1CCN(C(=O)NCCS(=O)(=O)N2CCSCC2)CC1 ZINC000504378968 1071743475 /nfs/dbraw/zinc/74/34/75/1071743475.db2.gz USFBSEIUNIXHIA-UHFFFAOYSA-N 0 3 435.616 -0.439 20 0 IBADHN CN(C)CCn1nnnc1SCC(=O)N1CCN(c2ncnc3c2cnn3C)CC1 ZINC000504504412 1071746804 /nfs/dbraw/zinc/74/68/04/1071746804.db2.gz YYGJQDBUZPNWGC-UHFFFAOYSA-N 0 3 431.530 -0.648 20 0 IBADHN CNC(=O)Cn1nc(NC(=O)C(=O)NCc2ccc(CN3CCN(C)CC3)cc2)cc1C ZINC000504508575 1073315059 /nfs/dbraw/zinc/31/50/59/1073315059.db2.gz WDCVCVCMGCEYMK-UHFFFAOYSA-N 0 3 441.536 -0.060 20 0 IBADHN COc1cnccc1N1CCN(C(=O)C(=O)N[C@H]2CCN(c3cnn(C)c3)C2=O)CC1 ZINC000504570277 1071750259 /nfs/dbraw/zinc/75/02/59/1071750259.db2.gz IEUOSQWKDVSFIM-HNNXBMFYSA-N 0 3 427.465 -0.606 20 0 IBADHN COc1cnccc1N1CCN(C(=O)C(=O)N[C@@H]2CCN(c3cnn(C)c3)C2=O)CC1 ZINC000504570278 1071750275 /nfs/dbraw/zinc/75/02/75/1071750275.db2.gz IEUOSQWKDVSFIM-OAHLLOKOSA-N 0 3 427.465 -0.606 20 0 IBADHN C[C@@H]1CN(CC2CCN(C(=O)C(=O)N[C@H]3CCN(c4cnn(C)c4)C3=O)CC2)C[C@H](C)O1 ZINC000504587104 1071752570 /nfs/dbraw/zinc/75/25/70/1071752570.db2.gz YOWJKXIXXISSLC-FCEWJHQRSA-N 0 3 446.552 -0.011 20 0 IBADHN C[C@@H]1CN(CC2CCN(C(=O)C(=O)N[C@@H]3CCN(c4cnn(C)c4)C3=O)CC2)C[C@@H](C)O1 ZINC000504587105 1071752692 /nfs/dbraw/zinc/75/26/92/1071752692.db2.gz YOWJKXIXXISSLC-GPMSIDNRSA-N 0 3 446.552 -0.011 20 0 IBADHN C[C@@H]1CN(CC2CCN(C(=O)C(=O)N[C@@H]3CCN(c4cnn(C)c4)C3=O)CC2)C[C@H](C)O1 ZINC000504587106 1071752676 /nfs/dbraw/zinc/75/26/76/1071752676.db2.gz YOWJKXIXXISSLC-JTDSTZFVSA-N 0 3 446.552 -0.011 20 0 IBADHN C[C@@H]1CN(CC2CCN(C(=O)C(=O)N[C@H]3CCN(c4cnn(C)c4)C3=O)CC2)C[C@@H](C)O1 ZINC000504587107 1071752591 /nfs/dbraw/zinc/75/25/91/1071752591.db2.gz YOWJKXIXXISSLC-MDZRGWNJSA-N 0 3 446.552 -0.011 20 0 IBADHN CN(C(=O)c1ccc(NC(=O)C(=O)N2CCN(C(=O)CO)CC2)cc1)[C@@H]1CCCN(C)C1 ZINC000504871314 1071760801 /nfs/dbraw/zinc/76/08/01/1071760801.db2.gz SIXQYNKQOBGPCM-GOSISDBHSA-N 0 3 445.520 -0.546 20 0 IBADHN CN(C(=O)c1ccc(NC(=O)C(=O)N2CCN(C(=O)CO)CC2)cc1)[C@H]1CCCN(C)C1 ZINC000504871315 1071760704 /nfs/dbraw/zinc/76/07/04/1071760704.db2.gz SIXQYNKQOBGPCM-SFHVURJKSA-N 0 3 445.520 -0.546 20 0 IBADHN O=C(CO)N1CCN(C(=O)C(=O)Nc2ccnn2[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000504871321 1071760589 /nfs/dbraw/zinc/76/05/89/1071760589.db2.gz SLCRPWYRQOCLDH-GOSISDBHSA-N 0 3 440.504 -0.068 20 0 IBADHN O=C(CO)N1CCN(C(=O)C(=O)Nc2ccnn2[C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000504871322 1071760643 /nfs/dbraw/zinc/76/06/43/1071760643.db2.gz SLCRPWYRQOCLDH-SFHVURJKSA-N 0 3 440.504 -0.068 20 0 IBADHN CNC(=O)Cn1nc(NC(=O)C(=O)N[C@H]2CCN(Cc3ccccc3)C[C@@H]2CO)cc1C ZINC000504998298 1071764015 /nfs/dbraw/zinc/76/40/15/1071764015.db2.gz JOEAOGPEULOEMZ-MSOLQXFVSA-N 0 3 442.520 -0.125 20 0 IBADHN CNC(=O)Cn1nc(NC(=O)C(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@@H]2CO)cc1C ZINC000504998299 1073315375 /nfs/dbraw/zinc/31/53/75/1073315375.db2.gz JOEAOGPEULOEMZ-QZTJIDSGSA-N 0 3 442.520 -0.125 20 0 IBADHN CNC(=O)Cn1nc(NC(=O)C(=O)N[C@H]2CCN(Cc3ccccc3)C[C@H]2CO)cc1C ZINC000504998300 1073315908 /nfs/dbraw/zinc/31/59/08/1073315908.db2.gz JOEAOGPEULOEMZ-ROUUACIJSA-N 0 3 442.520 -0.125 20 0 IBADHN CNC(=O)Cn1nc(NC(=O)C(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@H]2CO)cc1C ZINC000504998301 1071763988 /nfs/dbraw/zinc/76/39/88/1071763988.db2.gz JOEAOGPEULOEMZ-ZWKOTPCHSA-N 0 3 442.520 -0.125 20 0 IBADHN NC(=O)C1CCN(Cc2cccc(NC(=O)C(=O)NCCNC(=O)c3ccn[nH]3)c2)CC1 ZINC000505256726 1071769310 /nfs/dbraw/zinc/76/93/10/1071769310.db2.gz CWBHKCLIAOSOSP-UHFFFAOYSA-N 0 3 441.492 -0.408 20 0 IBADHN CCN(CC)CC(=O)N1CCN(C(=O)CCNS(=O)(=O)c2cn(C)c(C)n2)CC1 ZINC000505388633 1071772980 /nfs/dbraw/zinc/77/29/80/1071772980.db2.gz MKNBKUPWGQLWOM-UHFFFAOYSA-N 0 3 428.559 -0.590 20 0 IBADHN CCN(CC)CC(=O)N1CCN(C(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)CC1 ZINC000505389046 1071772989 /nfs/dbraw/zinc/77/29/89/1071772989.db2.gz OGWHBIPOLDDGCX-CVEARBPZSA-N 0 3 428.555 -0.965 20 0 IBADHN CCN(CC)CC(=O)N1CCN(C(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)CC1 ZINC000505389047 1071772833 /nfs/dbraw/zinc/77/28/33/1071772833.db2.gz OGWHBIPOLDDGCX-HOTGVXAUSA-N 0 3 428.555 -0.965 20 0 IBADHN CCN(CC)CC(=O)N1CCN(C(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)CC1 ZINC000505389048 1071773021 /nfs/dbraw/zinc/77/30/21/1071773021.db2.gz OGWHBIPOLDDGCX-HZPDHXFCSA-N 0 3 428.555 -0.965 20 0 IBADHN CCN(CC)CC(=O)N1CCN(C(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)CC1 ZINC000505389050 1071772935 /nfs/dbraw/zinc/77/29/35/1071772935.db2.gz OGWHBIPOLDDGCX-JKSUJKDBSA-N 0 3 428.555 -0.965 20 0 IBADHN CCN(CC)CC(=O)N1CCN(C(=O)Cn2cc(Br)c(=O)[nH]c2=O)CC1 ZINC000505393772 1071772875 /nfs/dbraw/zinc/77/28/75/1071772875.db2.gz DSFGUKFWVCTXKG-UHFFFAOYSA-N 0 3 430.303 -0.276 20 0 IBADHN CC[NH+](CC)CC(=O)N1CCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)c[n-]2)CC1 ZINC000505397590 1071772409 /nfs/dbraw/zinc/77/24/09/1071772409.db2.gz VQMJNVFNUBTIDO-UHFFFAOYSA-N 0 3 441.554 -0.338 20 0 IBADHN CCN(CC)CC(=O)N1CCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)c[nH]2)CC1 ZINC000505397590 1071772404 /nfs/dbraw/zinc/77/24/04/1071772404.db2.gz VQMJNVFNUBTIDO-UHFFFAOYSA-N 0 3 441.554 -0.338 20 0 IBADHN CCN(CC)CC(=O)N1CCN(C(=O)[C@H](C)NS(=O)(=O)c2c(C)noc2C)CC1 ZINC000505402140 1071773003 /nfs/dbraw/zinc/77/30/03/1071773003.db2.gz HXGTYDGUOMXYHM-AWEZNQCLSA-N 0 3 429.543 -0.029 20 0 IBADHN CCN(CC)CC(=O)N1CCN(C(=O)C2CCN(c3ccc4nnnn4n3)CC2)CC1 ZINC000505407812 1071773590 /nfs/dbraw/zinc/77/35/90/1071773590.db2.gz HEPGNGNKYOLXBV-UHFFFAOYSA-N 0 3 429.529 -0.252 20 0 IBADHN CNC(=O)CNC(=O)c1cccc(NC(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)c1 ZINC000505806599 1071909400 /nfs/dbraw/zinc/90/94/00/1071909400.db2.gz JHMSDEFEHGCEEU-KRWDZBQOSA-N 0 3 430.509 -0.067 20 0 IBADHN CNC(=O)CNC(=O)c1cccc(NC(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)c1 ZINC000505806600 1071909175 /nfs/dbraw/zinc/90/91/75/1071909175.db2.gz JHMSDEFEHGCEEU-QGZVFWFLSA-N 0 3 430.509 -0.067 20 0 IBADHN CNC(=O)CNC(=O)c1cccc(NC(=O)N2CCN(C(=O)CN3CCCC3)CC2)c1 ZINC000505816821 1071911897 /nfs/dbraw/zinc/91/18/97/1071911897.db2.gz BHQHXPDJHIEUMZ-UHFFFAOYSA-N 0 3 430.509 -0.066 20 0 IBADHN C[C@@H](O)[C@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)C1 ZINC000506042065 1071962988 /nfs/dbraw/zinc/96/29/88/1071962988.db2.gz NZZGSPZFUOZQOB-CVEARBPZSA-N 0 3 439.534 -0.007 20 0 IBADHN C[C@H](O)[C@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)C1 ZINC000506042066 1071962871 /nfs/dbraw/zinc/96/28/71/1071962871.db2.gz NZZGSPZFUOZQOB-HOTGVXAUSA-N 0 3 439.534 -0.007 20 0 IBADHN C[C@@H](O)[C@@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)C1 ZINC000506042067 1071962910 /nfs/dbraw/zinc/96/29/10/1071962910.db2.gz NZZGSPZFUOZQOB-HZPDHXFCSA-N 0 3 439.534 -0.007 20 0 IBADHN C[C@H](O)[C@@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)C1 ZINC000506042068 1071963077 /nfs/dbraw/zinc/96/30/77/1071963077.db2.gz NZZGSPZFUOZQOB-JKSUJKDBSA-N 0 3 439.534 -0.007 20 0 IBADHN CN(C)C1(CNC(=O)C(=O)N2CCN(CC(=O)NC3CC3)CC2)Cc2ccccc2C1 ZINC000506399785 1072034474 /nfs/dbraw/zinc/03/44/74/1072034474.db2.gz IYTWZSFBZCSAAX-UHFFFAOYSA-N 0 3 427.549 -0.375 20 0 IBADHN CC(C)NC(=O)CN1CCN(C(=O)C(=O)NCC2(N(C)C)Cc3ccccc3C2)CC1 ZINC000506403273 1072034611 /nfs/dbraw/zinc/03/46/11/1072034611.db2.gz ODQPWTXTYQBYOV-UHFFFAOYSA-N 0 3 429.565 -0.129 20 0 IBADHN CN(C)C1(CNC(=O)C(=O)N2CCN(c3nc(N)ns3)CC2)Cc2ccccc2C1 ZINC000506403876 1073360004 /nfs/dbraw/zinc/36/00/04/1073360004.db2.gz OQQQBHFJHLWUBD-UHFFFAOYSA-N 0 3 429.550 -0.016 20 0 IBADHN CN(C)C1(CNC(=O)C(=O)N2CCC[C@@H](CNS(C)(=O)=O)C2)Cc2ccccc2C1 ZINC000506406101 1072034515 /nfs/dbraw/zinc/03/45/15/1072034515.db2.gz IYZMKULRQGNYFW-INIZCTEOSA-N 0 3 436.578 -0.010 20 0 IBADHN CN(C)C1(CNC(=O)C(=O)N2CCC[C@H](CNS(C)(=O)=O)C2)Cc2ccccc2C1 ZINC000506406102 1072035110 /nfs/dbraw/zinc/03/51/10/1072035110.db2.gz IYZMKULRQGNYFW-MRXNPFEDSA-N 0 3 436.578 -0.010 20 0 IBADHN CN(C)C1(CNC(=O)C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)Cc2ccccc2C1 ZINC000506407981 1072034937 /nfs/dbraw/zinc/03/49/37/1072034937.db2.gz LYUNZZRDIVXKJF-UHFFFAOYSA-N 0 3 441.532 -0.849 20 0 IBADHN CN(C)C(=O)CCN1CCN(C(=O)C(=O)NCC2(N(C)C)Cc3ccccc3C2)CC1 ZINC000506432617 1072038864 /nfs/dbraw/zinc/03/88/64/1072038864.db2.gz XEWPKPAMUCVAST-UHFFFAOYSA-N 0 3 429.565 -0.176 20 0 IBADHN CN(C)C1(CNC(=O)C(=O)N2CCN(c3nccn(C)c3=O)CC2)Cc2ccccc2C1 ZINC000506436017 1072038918 /nfs/dbraw/zinc/03/89/18/1072038918.db2.gz CSIVZPBKQLHKKO-UHFFFAOYSA-N 0 3 438.532 -0.356 20 0 IBADHN CN(C)C1(CNC(=O)C(=O)N2CCN(CC(=O)N3CCCC3)CC2)Cc2ccccc2C1 ZINC000506438001 1072039288 /nfs/dbraw/zinc/03/92/88/1072039288.db2.gz KPXDYAQNRCFGKF-UHFFFAOYSA-N 0 3 441.576 -0.032 20 0 IBADHN CN(C)C1(CNC(=O)C(=O)NCCNS(=O)(=O)Cc2ccon2)Cc2ccccc2C1 ZINC000506440563 1072041580 /nfs/dbraw/zinc/04/15/80/1072041580.db2.gz UXQNKXGOIJWTHB-UHFFFAOYSA-N 0 3 449.533 -0.574 20 0 IBADHN CS(=O)(=O)NC[C@@H]1CCCN(CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000506937399 1072174898 /nfs/dbraw/zinc/17/48/98/1072174898.db2.gz RDLCIPIEVNBUHD-INIZCTEOSA-N 0 3 446.595 -0.356 20 0 IBADHN CS(=O)(=O)NC[C@H]1CCCN(CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)C1 ZINC000506937403 1072174995 /nfs/dbraw/zinc/17/49/95/1072174995.db2.gz RDLCIPIEVNBUHD-MRXNPFEDSA-N 0 3 446.595 -0.356 20 0 IBADHN CCN(CC)CC(=O)N1CCN(S(=O)(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C)CC1 ZINC000507467850 1072207631 /nfs/dbraw/zinc/20/76/31/1072207631.db2.gz MFRIJJLOMOBTNA-UHFFFAOYSA-N 0 3 438.510 -0.791 20 0 IBADHN CCN(CC)CC(=O)N1CCN(S(=O)(=O)c2cccc(S(=O)(=O)NC)c2)CC1 ZINC000507501904 1072209872 /nfs/dbraw/zinc/20/98/72/1072209872.db2.gz QBVHPZLHKMDOEF-UHFFFAOYSA-N 0 3 432.568 -0.231 20 0 IBADHN CCN(CC)CC(=O)N1CCN(S(=O)(=O)c2ccc(S(=O)(=O)NC)cc2)CC1 ZINC000507538835 1072211473 /nfs/dbraw/zinc/21/14/73/1072211473.db2.gz UZGUYKYNOPKGRB-UHFFFAOYSA-N 0 3 432.568 -0.231 20 0 IBADHN CCN(CC)CC(=O)N1CCN(CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000507714769 1072224697 /nfs/dbraw/zinc/22/46/97/1072224697.db2.gz BHTSIODCCILMSY-UHFFFAOYSA-N 0 3 439.582 -0.521 20 0 IBADHN CCN(CC)CC(=O)N1CCN(CC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)CC1 ZINC000507732970 1072522682 /nfs/dbraw/zinc/52/26/82/1072522682.db2.gz PMBXWAOYKMZNLH-UHFFFAOYSA-N 0 3 438.617 -0.469 20 0 IBADHN CCN(CC)CC(=O)N1CCN(CC(=O)N2CCc3cc(S(N)(=O)=O)ccc32)CC1 ZINC000507741881 1072276220 /nfs/dbraw/zinc/27/62/20/1072276220.db2.gz SRUYHRJBMMTABP-UHFFFAOYSA-N 0 3 437.566 -0.291 20 0 IBADHN CNC(=O)c1cccc(CCNC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)c1 ZINC000508030941 1072343361 /nfs/dbraw/zinc/34/33/61/1072343361.db2.gz FDIMVSCQQARHLG-UHFFFAOYSA-N 0 3 429.521 -0.529 20 0 IBADHN Cc1cc(N2CCC[C@@H](N3CCN(C(=O)[C@@H]4CN5CCN4CCC5)CC3)C2=O)n(C)n1 ZINC000508034231 1072344032 /nfs/dbraw/zinc/34/40/32/1072344032.db2.gz DSPBHYBDASNBPW-MOPGFXCFSA-N 0 3 429.569 -0.242 20 0 IBADHN Cc1cc(N2CCC[C@H](N3CCN(C(=O)[C@@H]4CN5CCN4CCC5)CC3)C2=O)n(C)n1 ZINC000508034232 1072343917 /nfs/dbraw/zinc/34/39/17/1072343917.db2.gz DSPBHYBDASNBPW-OALUTQOASA-N 0 3 429.569 -0.242 20 0 IBADHN Cc1cc(N2CCC[C@H](N3CCN(C(=O)[C@H]4CN5CCN4CCC5)CC3)C2=O)n(C)n1 ZINC000508034233 1072343955 /nfs/dbraw/zinc/34/39/55/1072343955.db2.gz DSPBHYBDASNBPW-RBUKOAKNSA-N 0 3 429.569 -0.242 20 0 IBADHN Cc1cc(N2CCC[C@@H](N3CCN(C(=O)[C@H]4CN5CCN4CCC5)CC3)C2=O)n(C)n1 ZINC000508034234 1072344137 /nfs/dbraw/zinc/34/41/37/1072344137.db2.gz DSPBHYBDASNBPW-RTBURBONSA-N 0 3 429.569 -0.242 20 0 IBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NCCc2cccc(C(=O)NC)c2)CC1 ZINC000508049002 1072346187 /nfs/dbraw/zinc/34/61/87/1072346187.db2.gz DPHMSKBWLDXHIE-UHFFFAOYSA-N 0 3 431.537 -0.283 20 0 IBADHN CNC(=O)c1cccc(CCNC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)c1 ZINC000508057781 1072346281 /nfs/dbraw/zinc/34/62/81/1072346281.db2.gz KGLPPNZWCBEXOG-GOSISDBHSA-N 0 3 429.521 -0.530 20 0 IBADHN CNC(=O)c1cccc(CCNC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)c1 ZINC000508057782 1072346144 /nfs/dbraw/zinc/34/61/44/1072346144.db2.gz KGLPPNZWCBEXOG-SFHVURJKSA-N 0 3 429.521 -0.530 20 0 IBADHN CCN1CCN(CCC(=O)N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)CC1 ZINC000508196406 1072354498 /nfs/dbraw/zinc/35/44/98/1072354498.db2.gz YGCHPGULJLCDGY-UHFFFAOYSA-N 0 3 427.527 -0.761 20 0 IBADHN CN1CCN(CCNC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)CC1(C)C ZINC000508299391 1072360508 /nfs/dbraw/zinc/36/05/08/1072360508.db2.gz CJGFMNLQWYSRPZ-UHFFFAOYSA-N 0 3 437.566 -0.437 20 0 IBADHN CN(C)CCn1c2cc(NC(=O)C(=O)N3C[C@@H]4CCS(=O)(=O)[C@@H]4C3)ccc2oc1=O ZINC000508346217 1072362968 /nfs/dbraw/zinc/36/29/68/1072362968.db2.gz XRIZEMHELDOWPP-BLLLJJGKSA-N 0 3 436.490 -0.260 20 0 IBADHN COc1ncnc(N(C)C)c1NC(=O)C(=O)NC1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C ZINC000508366307 1072363002 /nfs/dbraw/zinc/36/30/02/1072363002.db2.gz DWUAGVDNCJYQFN-AGUYFDCRSA-N 0 3 433.513 -0.311 20 0 IBADHN C[C@H](CNC(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1)CN1CCN(C)CC1 ZINC000508433152 1072528278 /nfs/dbraw/zinc/52/82/78/1072528278.db2.gz UUMHOPKEWKDEMR-MSOLQXFVSA-N 0 3 431.603 -0.294 20 0 IBADHN C[C@H](CNC(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1)CN1CCN(C)CC1 ZINC000508433155 1072528447 /nfs/dbraw/zinc/52/84/47/1072528447.db2.gz UUMHOPKEWKDEMR-QZTJIDSGSA-N 0 3 431.603 -0.294 20 0 IBADHN C[C@@H](CNC(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1)CN1CCN(C)CC1 ZINC000508433157 1072528419 /nfs/dbraw/zinc/52/84/19/1072528419.db2.gz UUMHOPKEWKDEMR-ROUUACIJSA-N 0 3 431.603 -0.294 20 0 IBADHN C[C@@H](CNC(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1)CN1CCN(C)CC1 ZINC000508433159 1072528371 /nfs/dbraw/zinc/52/83/71/1072528371.db2.gz UUMHOPKEWKDEMR-ZWKOTPCHSA-N 0 3 431.603 -0.294 20 0 IBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000508515357 1072665113 /nfs/dbraw/zinc/66/51/13/1072665113.db2.gz AQAIABMHJDOXJP-UHFFFAOYSA-N 0 3 425.511 -0.715 20 0 IBADHN COCCNC(=O)c1cccc(S(=O)(=O)NCCCN2CCC[C@H](C(N)=O)C2)c1 ZINC000508526702 1072688595 /nfs/dbraw/zinc/68/85/95/1072688595.db2.gz DGQDMLHSMLELIH-INIZCTEOSA-N 0 3 426.539 -0.072 20 0 IBADHN COCCNC(=O)c1cccc(S(=O)(=O)NCCCN2CCC[C@@H](C(N)=O)C2)c1 ZINC000508526707 1072688522 /nfs/dbraw/zinc/68/85/22/1072688522.db2.gz DGQDMLHSMLELIH-MRXNPFEDSA-N 0 3 426.539 -0.072 20 0 IBADHN COCCNS(=O)(=O)c1c[nH]c(C(=O)N[C@H](C)C(=O)NCCN2CCCCC2)c1 ZINC000508692741 1072959005 /nfs/dbraw/zinc/95/90/05/1072959005.db2.gz FECPPKBKCOIPOU-CQSZACIVSA-N 0 3 429.543 -0.340 20 0 IBADHN Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N[C@H](C)C(=O)NCCN1CCCCC1 ZINC000508704787 1072960161 /nfs/dbraw/zinc/96/01/61/1072960161.db2.gz XKJGMBKAMXXZCC-CABCVRRESA-N 0 3 442.586 -0.189 20 0 IBADHN Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N[C@H](C)C(=O)NCCN1CCCCC1 ZINC000508704790 1072959848 /nfs/dbraw/zinc/95/98/48/1072959848.db2.gz XKJGMBKAMXXZCC-HUUCEWRRSA-N 0 3 442.586 -0.189 20 0 IBADHN C[C@@H](NC(=O)c1cc(S(=O)(=O)N2CCOCC2)c[nH]1)C(=O)NCCN1CCCCC1 ZINC000508708029 1072960177 /nfs/dbraw/zinc/96/01/77/1072960177.db2.gz XYBSAZZNKJYEOT-OAHLLOKOSA-N 0 3 441.554 -0.244 20 0 IBADHN CCN(CC)CC(=O)N1CCN(CC(=O)N(CCOC)[C@H]2CCS(=O)(=O)C2)CC1 ZINC000509052242 1073236138 /nfs/dbraw/zinc/23/61/38/1073236138.db2.gz DFVFUUPWCIUCOO-KRWDZBQOSA-N 0 3 432.587 -0.866 20 0 IBADHN CCN(CC)CC(=O)N1CCN(CC(=O)N(CCOC)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000509052244 1073236215 /nfs/dbraw/zinc/23/62/15/1073236215.db2.gz DFVFUUPWCIUCOO-QGZVFWFLSA-N 0 3 432.587 -0.866 20 0 IBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)CNS(=O)(=O)c1c[nH]c2ncccc12 ZINC000509194953 1073255754 /nfs/dbraw/zinc/25/57/54/1073255754.db2.gz IWARNJXKPXQHQV-HNNXBMFYSA-N 0 3 436.538 -0.100 20 0 IBADHN CN(C)C(=O)[C@@H]1CCC[N@H+]1CCCNC(=O)CNS(=O)(=O)c1c[n-]c2ncccc12 ZINC000509194953 1073255747 /nfs/dbraw/zinc/25/57/47/1073255747.db2.gz IWARNJXKPXQHQV-HNNXBMFYSA-N 0 3 436.538 -0.100 20 0 IBADHN CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)CNS(=O)(=O)c1c[n-]c2ncccc12 ZINC000509194953 1073255744 /nfs/dbraw/zinc/25/57/44/1073255744.db2.gz IWARNJXKPXQHQV-HNNXBMFYSA-N 0 3 436.538 -0.100 20 0 IBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)CNS(=O)(=O)c1c[nH]c2ncccc12 ZINC000509194954 1073255881 /nfs/dbraw/zinc/25/58/81/1073255881.db2.gz IWARNJXKPXQHQV-OAHLLOKOSA-N 0 3 436.538 -0.100 20 0 IBADHN CN(C)C(=O)[C@H]1CCC[N@H+]1CCCNC(=O)CNS(=O)(=O)c1c[n-]c2ncccc12 ZINC000509194954 1073255873 /nfs/dbraw/zinc/25/58/73/1073255873.db2.gz IWARNJXKPXQHQV-OAHLLOKOSA-N 0 3 436.538 -0.100 20 0 IBADHN CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)CNS(=O)(=O)c1c[n-]c2ncccc12 ZINC000509194954 1073255862 /nfs/dbraw/zinc/25/58/62/1073255862.db2.gz IWARNJXKPXQHQV-OAHLLOKOSA-N 0 3 436.538 -0.100 20 0 IBADHN COCCNC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)CN3CCCC3)CC2)c1 ZINC000509450381 1072418021 /nfs/dbraw/zinc/41/80/21/1072418021.db2.gz JRPWPYGRWGQPQF-UHFFFAOYSA-N 0 3 438.550 -0.009 20 0 IBADHN CCN1CCN(CCNC(=O)CNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)CC1 ZINC000509494796 1074439669 /nfs/dbraw/zinc/43/96/69/1074439669.db2.gz NQRBYKPZUOGPHG-UHFFFAOYSA-N 0 3 425.555 -0.580 20 0 IBADHN CCN1CCN(CCNC(=O)CNS(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 ZINC000509504458 1074446846 /nfs/dbraw/zinc/44/68/46/1074446846.db2.gz JJTISGUNWDNTBE-UHFFFAOYSA-N 0 3 426.539 -0.120 20 0 IBADHN CCN(CC)CC(=O)N1CCN(C(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)CC1 ZINC000509561121 1072033979 /nfs/dbraw/zinc/03/39/79/1072033979.db2.gz VYYGBTGDPFLXEN-UHFFFAOYSA-N 0 3 431.497 -0.350 20 0 IBADHN COCCCN(C)CCNC(=O)C(=O)N1CC(S(=O)(=O)N2CCc3ccccc32)C1 ZINC000509704825 1072424951 /nfs/dbraw/zinc/42/49/51/1072424951.db2.gz BPWYOXYUKSEANA-UHFFFAOYSA-N 0 3 438.550 -0.326 20 0 IBADHN COCCCN(C)CCNC(=O)C(=O)N1CCN(CC(=O)N2CCCCCC2)CC1 ZINC000509704996 1072424985 /nfs/dbraw/zinc/42/49/85/1072424985.db2.gz CIWJBQQOEQTPGL-UHFFFAOYSA-N 0 3 425.574 -0.382 20 0 IBADHN COCCCN(C)CCNC(=O)C(=O)N1CCOC[C@H]1c1noc(-c2cnn(C)c2)n1 ZINC000509711661 1072425711 /nfs/dbraw/zinc/42/57/11/1072425711.db2.gz GCAYGXDRESRQFP-HNNXBMFYSA-N 0 3 435.485 -0.546 20 0 IBADHN COCCCN(C)CCNC(=O)C(=O)N1CCOC[C@@H]1c1noc(-c2cnn(C)c2)n1 ZINC000509711671 1072425752 /nfs/dbraw/zinc/42/57/52/1072425752.db2.gz GCAYGXDRESRQFP-OAHLLOKOSA-N 0 3 435.485 -0.546 20 0 IBADHN COCCCN(C)CCNC(=O)C(=O)N1CCN(CC(=O)N2C[C@H](C)C[C@H](C)C2)CC1 ZINC000509712691 1072425677 /nfs/dbraw/zinc/42/56/77/1072425677.db2.gz IFVDSKCSDPZOTJ-KDURUIRLSA-N 0 3 439.601 -0.280 20 0 IBADHN COCCCN(C)CCNC(=O)C(=O)N1CCN(CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000509712694 1072425629 /nfs/dbraw/zinc/42/56/29/1072425629.db2.gz IFVDSKCSDPZOTJ-OALUTQOASA-N 0 3 439.601 -0.280 20 0 IBADHN COCCCN(C)CCNC(=O)C(=O)N1CCN(CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000509712696 1072425699 /nfs/dbraw/zinc/42/56/99/1072425699.db2.gz IFVDSKCSDPZOTJ-RTBURBONSA-N 0 3 439.601 -0.280 20 0 IBADHN COCCCN(C)CCNC(=O)C(=O)N1CCN(Cc2nc(N)c3ccccc3n2)CC1 ZINC000509713111 1072425663 /nfs/dbraw/zinc/42/56/63/1072425663.db2.gz JHLRKWVEGFHLBJ-UHFFFAOYSA-N 0 3 443.552 -0.059 20 0 IBADHN COCCCN(C)CCNC(=O)C(=O)N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 ZINC000509715009 1072426142 /nfs/dbraw/zinc/42/61/42/1072426142.db2.gz NLSCYOMCIAUSEZ-KRWDZBQOSA-N 0 3 432.587 -0.076 20 0 IBADHN COCCCN(C)CCNC(=O)C(=O)N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 ZINC000509715014 1072426244 /nfs/dbraw/zinc/42/62/44/1072426244.db2.gz NLSCYOMCIAUSEZ-QGZVFWFLSA-N 0 3 432.587 -0.076 20 0 IBADHN COCCCN(C)CCNC(=O)C(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000509716060 1072426152 /nfs/dbraw/zinc/42/61/52/1072426152.db2.gz QAZWVLIKDGILSF-UHFFFAOYSA-N 0 3 440.566 -0.255 20 0 IBADHN COCCCN(C)CCNC(=O)C(=O)N1CCN(S(=O)(=O)c2csc(C)n2)CC1 ZINC000509716883 1072426195 /nfs/dbraw/zinc/42/61/95/1072426195.db2.gz SEKOQGZOGRKHTC-UHFFFAOYSA-N 0 3 447.583 -0.631 20 0 IBADHN COCCCN(C)CCNC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(C)cc2)CC1 ZINC000509718945 1072424316 /nfs/dbraw/zinc/42/43/16/1072424316.db2.gz FFGWHIPLDMUSSE-UHFFFAOYSA-N 0 3 440.566 -0.088 20 0 IBADHN COCCCN(C)CCNC(=O)C(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000509719028 1072424557 /nfs/dbraw/zinc/42/45/57/1072424557.db2.gz FPOGDWIHZNMAHG-UHFFFAOYSA-N 0 3 444.529 -0.257 20 0 IBADHN COCCCN(C)CCNC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 ZINC000509719659 1072424521 /nfs/dbraw/zinc/42/45/21/1072424521.db2.gz HCUFVQNQJJVXQK-UHFFFAOYSA-N 0 3 449.556 -0.954 20 0 IBADHN COCCCN(C)CCNC(=O)C(=O)N1CCN(S(=O)(=O)N2CCCCCC2)CC1 ZINC000509720067 1072424384 /nfs/dbraw/zinc/42/43/84/1072424384.db2.gz IRTFGEXCYAAWSF-UHFFFAOYSA-N 0 3 447.602 -0.664 20 0 IBADHN COCCCN(C)CCNC(=O)C(=O)N1CCN(CC(=O)N2CCCC[C@H]2C)CC1 ZINC000509720303 1072424265 /nfs/dbraw/zinc/42/42/65/1072424265.db2.gz IWPGRONIGRPNSW-GOSISDBHSA-N 0 3 425.574 -0.384 20 0 IBADHN COCCCN(C)CCNC(=O)C(=O)N1CCN(CC(=O)N2CCCC[C@@H]2C)CC1 ZINC000509720304 1072424214 /nfs/dbraw/zinc/42/42/14/1072424214.db2.gz IWPGRONIGRPNSW-SFHVURJKSA-N 0 3 425.574 -0.384 20 0 IBADHN COCCCN(C)CCNC(=O)C(=O)N1CCC(CC(=O)N2CCN(C)CC2)CC1 ZINC000509722405 1074508280 /nfs/dbraw/zinc/50/82/80/1074508280.db2.gz RRSRIBZXGGSBJW-UHFFFAOYSA-N 0 3 425.574 -0.526 20 0 IBADHN COCCCN(C)CCNC(=O)C(=O)N1CCN(CC(=O)N2CCc3ccccc32)CC1 ZINC000509724827 1071530249 /nfs/dbraw/zinc/53/02/49/1071530249.db2.gz PUVZGWWNANEGEX-UHFFFAOYSA-N 0 3 445.564 -0.196 20 0 IBADHN COCCCN(C)CCNC(=O)C(=O)N1CCCN(S(=O)(=O)c2ccccc2)CC1 ZINC000509736040 1071484770 /nfs/dbraw/zinc/48/47/70/1071484770.db2.gz HJWFOOSJVOCEMC-UHFFFAOYSA-N 0 3 440.566 -0.006 20 0 IBADHN COc1ccc(NC(=O)C(=O)N[C@@H](C)CN(C)C)cc1S(=O)(=O)N[C@@H]1CCOC1 ZINC000509742115 1071500249 /nfs/dbraw/zinc/50/02/49/1071500249.db2.gz YBFJLEJQOOONAR-GXTWGEPZSA-N 0 3 428.511 -0.233 20 0 IBADHN COc1ccc(NC(=O)C(=O)N[C@@H](C)CN(C)C)cc1S(=O)(=O)N[C@H]1CCOC1 ZINC000509742116 1071500036 /nfs/dbraw/zinc/50/00/36/1071500036.db2.gz YBFJLEJQOOONAR-JSGCOSHPSA-N 0 3 428.511 -0.233 20 0 IBADHN CCN(CC)CC(=O)N1CCN(C(=O)NCCN2CCN(c3ncccn3)CC2)CC1 ZINC000509752992 1071513341 /nfs/dbraw/zinc/51/33/41/1071513341.db2.gz VJMYCVVDSIRXML-UHFFFAOYSA-N 0 3 432.573 -0.206 20 0 IBADHN COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1NC(=O)C(=O)N[C@@H](C)CN(C)C ZINC000509772738 1071550512 /nfs/dbraw/zinc/55/05/12/1071550512.db2.gz QSQYJBKJFMKNNC-AWEZNQCLSA-N 0 3 441.554 -0.364 20 0 IBADHN COc1ccc(NC(=O)C(=O)N[C@@H](C)CN(C)C)cc1S(=O)(=O)N1CCOCC1 ZINC000509795016 1071565647 /nfs/dbraw/zinc/56/56/47/1071565647.db2.gz RYZGGWAPCBDLHB-ZDUSSCGKSA-N 0 3 428.511 -0.279 20 0 IBADHN C[C@@H](CN(C)C)NC(=O)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1 ZINC000509805046 1071572049 /nfs/dbraw/zinc/57/20/49/1071572049.db2.gz INQIODJEPFYKKV-AWEZNQCLSA-N 0 3 441.554 -0.222 20 0 IBADHN COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C(=O)N[C@@H](C)CN(C)C ZINC000509822884 1071575383 /nfs/dbraw/zinc/57/53/83/1071575383.db2.gz GODLFBIKXNNOFK-ZDUSSCGKSA-N 0 3 428.511 -0.279 20 0 IBADHN COCCNC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)c1 ZINC000509879612 1071586700 /nfs/dbraw/zinc/58/67/00/1071586700.db2.gz SQQZCALFHFZUIA-GOSISDBHSA-N 0 3 438.550 -0.010 20 0 IBADHN COCCNC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)c1 ZINC000509879613 1071586851 /nfs/dbraw/zinc/58/68/51/1071586851.db2.gz SQQZCALFHFZUIA-SFHVURJKSA-N 0 3 438.550 -0.010 20 0 IBADHN C[C@@H](CNC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1)CN1CCN(C)CC1 ZINC000509927515 1071633936 /nfs/dbraw/zinc/63/39/36/1071633936.db2.gz RTQKKIFJMSIBKE-INIZCTEOSA-N 0 3 437.566 -0.580 20 0 IBADHN C[C@H](CNC(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1)CN1CCN(C)CC1 ZINC000509927516 1071633810 /nfs/dbraw/zinc/63/38/10/1071633810.db2.gz RTQKKIFJMSIBKE-MRXNPFEDSA-N 0 3 437.566 -0.580 20 0 IBADHN C[C@@H](CNC(=O)c1cc(S(N)(=O)=O)ccc1N1CCOCC1)CN1CCN(C)CC1 ZINC000509928068 1071633863 /nfs/dbraw/zinc/63/38/63/1071633863.db2.gz WHJKTYWPEJWQQB-INIZCTEOSA-N 0 3 439.582 -0.216 20 0 IBADHN C[C@H](CNC(=O)c1cc(S(N)(=O)=O)ccc1N1CCOCC1)CN1CCN(C)CC1 ZINC000509928069 1071633754 /nfs/dbraw/zinc/63/37/54/1071633754.db2.gz WHJKTYWPEJWQQB-MRXNPFEDSA-N 0 3 439.582 -0.216 20 0 IBADHN C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)CSc1nnnn1CCN(C)C ZINC000510069444 1070807233 /nfs/dbraw/zinc/80/72/33/1070807233.db2.gz GPYJRCHFBQYUJH-LLVKDONJSA-N 0 3 425.540 -0.048 20 0 IBADHN C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)CSc1nnnn1CCN(C)C ZINC000510069446 1070807178 /nfs/dbraw/zinc/80/71/78/1070807178.db2.gz GPYJRCHFBQYUJH-NSHDSACASA-N 0 3 425.540 -0.048 20 0 IBADHN CN(C)CCn1nnnc1SCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000510072692 1070808040 /nfs/dbraw/zinc/80/80/40/1070808040.db2.gz PWELVMQYPPSSMD-UHFFFAOYSA-N 0 3 439.567 -0.140 20 0 IBADHN CN(C)CCn1nnnc1SCC(=O)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000510085693 1070812458 /nfs/dbraw/zinc/81/24/58/1070812458.db2.gz LAGZAPYWNJQBGJ-KBPBESRZSA-N 0 3 432.572 -0.479 20 0 IBADHN CN(C)CCn1nnnc1SCC(=O)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000510085696 1070812739 /nfs/dbraw/zinc/81/27/39/1070812739.db2.gz LAGZAPYWNJQBGJ-KGLIPLIRSA-N 0 3 432.572 -0.479 20 0 IBADHN CN(C)CCn1nnnc1SCC(=O)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000510085697 1070812794 /nfs/dbraw/zinc/81/27/94/1070812794.db2.gz LAGZAPYWNJQBGJ-UONOGXRCSA-N 0 3 432.572 -0.479 20 0 IBADHN CN(C)CCn1nnnc1SCC(=O)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000510085698 1070813036 /nfs/dbraw/zinc/81/30/36/1070813036.db2.gz LAGZAPYWNJQBGJ-ZIAGYGMSSA-N 0 3 432.572 -0.479 20 0 IBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)Nc2ccc(S(C)(=O)=O)nc2)CC1 ZINC000510181240 1070853327 /nfs/dbraw/zinc/85/33/27/1070853327.db2.gz BDOILASBPJQJNC-UHFFFAOYSA-N 0 3 425.511 -0.564 20 0 IBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)Nc2cccnc2N2CCOCC2)CC1 ZINC000510185398 1070853239 /nfs/dbraw/zinc/85/32/39/1070853239.db2.gz NMGSRRAYQFXDLH-UHFFFAOYSA-N 0 3 432.525 -0.131 20 0 IBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)Nc2cccc(-n3nnnc3C)c2)CC1 ZINC000510196224 1070854471 /nfs/dbraw/zinc/85/44/71/1070854471.db2.gz ZVABADRCTAYPGD-UHFFFAOYSA-N 0 3 428.497 -0.078 20 0 IBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N2C[C@H](C(=O)NC)Oc3ccccc32)CC1 ZINC000510206985 1070856101 /nfs/dbraw/zinc/85/61/01/1070856101.db2.gz KLZKMHCZFJZLLO-GOSISDBHSA-N 0 3 445.520 -0.461 20 0 IBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N2C[C@@H](C(=O)NC)Oc3ccccc32)CC1 ZINC000510206986 1070855707 /nfs/dbraw/zinc/85/57/07/1070855707.db2.gz KLZKMHCZFJZLLO-SFHVURJKSA-N 0 3 445.520 -0.461 20 0 IBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)NC)c2)CC1 ZINC000510212082 1070855975 /nfs/dbraw/zinc/85/59/75/1070855975.db2.gz OJTMKNNPZSPIDO-UHFFFAOYSA-N 0 3 439.538 -0.454 20 0 IBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)Nc2ccc(N3CCOCC3)nc2)CC1 ZINC000510221807 1070856493 /nfs/dbraw/zinc/85/64/93/1070856493.db2.gz JSRZOCWDZFQOAM-UHFFFAOYSA-N 0 3 432.525 -0.131 20 0 IBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)Nc2ccc3c(c2)C(=O)N(C)C3=O)CC1 ZINC000510251403 1070862809 /nfs/dbraw/zinc/86/28/09/1070862809.db2.gz HVICKFMQNDVCTH-UHFFFAOYSA-N 0 3 429.477 -0.137 20 0 IBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)Nc2ccc(C)c(-n3cnnn3)c2)CC1 ZINC000510267589 1070870227 /nfs/dbraw/zinc/87/02/27/1070870227.db2.gz LYPMMPQBJKYOGH-UHFFFAOYSA-N 0 3 428.497 -0.078 20 0 IBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)Nc2ccc(OC)c(OCC(N)=O)c2)CC1 ZINC000510270475 1070874584 /nfs/dbraw/zinc/87/45/84/1070874584.db2.gz MZWWCVVBWFWAHS-UHFFFAOYSA-N 0 3 449.508 -0.490 20 0 IBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)Nc2ccc3c(c2)n(C)c(=O)n3C)CC1 ZINC000510280533 1070881340 /nfs/dbraw/zinc/88/13/40/1070881340.db2.gz GZDGYNQATAFJSU-UHFFFAOYSA-N 0 3 430.509 -0.172 20 0 IBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)Nc2ccccc2OCCC(N)=O)CC1 ZINC000510290420 1070887160 /nfs/dbraw/zinc/88/71/60/1070887160.db2.gz VWZIACHEVNOIPV-UHFFFAOYSA-N 0 3 433.509 -0.108 20 0 IBADHN CN(C)CCN1C[C@@H](C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1=O ZINC000510331530 1070936504 /nfs/dbraw/zinc/93/65/04/1070936504.db2.gz FFYCYQMFRKQVMB-KRWDZBQOSA-N 0 3 438.550 -0.266 20 0 IBADHN CN(C)CCN1C[C@H](C(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1=O ZINC000510331532 1070936786 /nfs/dbraw/zinc/93/67/86/1070936786.db2.gz FFYCYQMFRKQVMB-QGZVFWFLSA-N 0 3 438.550 -0.266 20 0 IBADHN Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)[C@H]2CC(=O)N(CCN(C)C)C2)CC1 ZINC000510367459 1070964748 /nfs/dbraw/zinc/96/47/48/1070964748.db2.gz PSJDYCOLWINKGH-HNNXBMFYSA-N 0 3 427.527 -0.466 20 0 IBADHN Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)CC1 ZINC000510367460 1070964771 /nfs/dbraw/zinc/96/47/71/1070964771.db2.gz PSJDYCOLWINKGH-OAHLLOKOSA-N 0 3 427.527 -0.466 20 0 IBADHN COc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CC(=O)N(CCN(C)C)C3)CC2)cc1 ZINC000510384985 1070969765 /nfs/dbraw/zinc/96/97/65/1070969765.db2.gz QKHJQUPMELDUFA-INIZCTEOSA-N 0 3 438.550 -0.062 20 0 IBADHN COc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CC(=O)N(CCN(C)C)C3)CC2)cc1 ZINC000510384986 1070969939 /nfs/dbraw/zinc/96/99/39/1070969939.db2.gz QKHJQUPMELDUFA-MRXNPFEDSA-N 0 3 438.550 -0.062 20 0 IBADHN CN(C)CCN1C[C@@H](C(=O)Nc2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)CC1=O ZINC000510387853 1070970465 /nfs/dbraw/zinc/97/04/65/1070970465.db2.gz FNMPEXXZXGWQQJ-AWEZNQCLSA-N 0 3 437.522 -0.844 20 0 IBADHN CN(C)CCN1C[C@H](C(=O)Nc2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)CC1=O ZINC000510387854 1070970809 /nfs/dbraw/zinc/97/08/09/1070970809.db2.gz FNMPEXXZXGWQQJ-CQSZACIVSA-N 0 3 437.522 -0.844 20 0 IBADHN CN(C)CCN1C[C@@H](C(=O)Nc2cccc(S(=O)(=O)N3CCN(C)CC3)c2)CC1=O ZINC000510390187 1070972182 /nfs/dbraw/zinc/97/21/82/1070972182.db2.gz WKJDZIYBLMLWAS-INIZCTEOSA-N 0 3 437.566 -0.029 20 0 IBADHN CN(C)CCN1C[C@H](C(=O)Nc2cccc(S(=O)(=O)N3CCN(C)CC3)c2)CC1=O ZINC000510390188 1070972198 /nfs/dbraw/zinc/97/21/98/1070972198.db2.gz WKJDZIYBLMLWAS-MRXNPFEDSA-N 0 3 437.566 -0.029 20 0 IBADHN CC(C)(C)NC(=O)CN1CCN(C(=O)CN[C@@H]2CCCC[C@@H]2NS(C)(=O)=O)CC1 ZINC000510765686 1071024813 /nfs/dbraw/zinc/02/48/13/1071024813.db2.gz OOGKFINKWBORLM-CVEARBPZSA-N 0 3 431.603 -0.505 20 0 IBADHN CC(C)(C)NC(=O)CN1CCN(C(=O)CN[C@H]2CCCC[C@@H]2NS(C)(=O)=O)CC1 ZINC000510765687 1071025053 /nfs/dbraw/zinc/02/50/53/1071025053.db2.gz OOGKFINKWBORLM-HOTGVXAUSA-N 0 3 431.603 -0.505 20 0 IBADHN CC(C)(C)NC(=O)CN1CCN(C(=O)CN[C@@H]2CCCC[C@H]2NS(C)(=O)=O)CC1 ZINC000510765688 1071024733 /nfs/dbraw/zinc/02/47/33/1071024733.db2.gz OOGKFINKWBORLM-HZPDHXFCSA-N 0 3 431.603 -0.505 20 0 IBADHN CC(C)(C)NC(=O)CN1CCN(C(=O)CN[C@H]2CCCC[C@H]2NS(C)(=O)=O)CC1 ZINC000510765689 1071024996 /nfs/dbraw/zinc/02/49/96/1071024996.db2.gz OOGKFINKWBORLM-JKSUJKDBSA-N 0 3 431.603 -0.505 20 0 IBADHN CC(C)N(CCCNC(=O)CN[C@@H]1CCCC[C@@H]1NS(C)(=O)=O)S(C)(=O)=O ZINC000510768634 1071025906 /nfs/dbraw/zinc/02/59/06/1071025906.db2.gz YYNJVMNXPFQQFD-CABCVRRESA-N 0 3 426.605 -0.387 20 0 IBADHN CC(C)N(CCCNC(=O)CN[C@H]1CCCC[C@@H]1NS(C)(=O)=O)S(C)(=O)=O ZINC000510768639 1071025669 /nfs/dbraw/zinc/02/56/69/1071025669.db2.gz YYNJVMNXPFQQFD-GJZGRUSLSA-N 0 3 426.605 -0.387 20 0 IBADHN CC(C)N(CCCNC(=O)CN[C@@H]1CCCC[C@H]1NS(C)(=O)=O)S(C)(=O)=O ZINC000510768642 1071025538 /nfs/dbraw/zinc/02/55/38/1071025538.db2.gz YYNJVMNXPFQQFD-HUUCEWRRSA-N 0 3 426.605 -0.387 20 0 IBADHN CC(C)N(CCCNC(=O)CN[C@H]1CCCC[C@H]1NS(C)(=O)=O)S(C)(=O)=O ZINC000510768644 1071025809 /nfs/dbraw/zinc/02/58/09/1071025809.db2.gz YYNJVMNXPFQQFD-LSDHHAIUSA-N 0 3 426.605 -0.387 20 0 IBADHN COC(=O)C1CCN(CCCNC(=O)CCNS(=O)(=O)c2cn(C)c(C)n2)CC1 ZINC000510806161 1071027212 /nfs/dbraw/zinc/02/72/12/1071027212.db2.gz GRQQWMAJAWALQW-UHFFFAOYSA-N 0 3 429.543 -0.212 20 0 IBADHN CCN1CCN(CCC(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)CC1 ZINC000510824458 1071028414 /nfs/dbraw/zinc/02/84/14/1071028414.db2.gz KCUHIGORTDDODL-UHFFFAOYSA-N 0 3 438.598 -0.323 20 0 IBADHN CNC(=O)CN1CCC(NC(=O)NCCCCN2CCN(c3ncccn3)CC2)CC1 ZINC000510844160 1071029446 /nfs/dbraw/zinc/02/94/46/1071029446.db2.gz YYGGZHOKVUJFMB-UHFFFAOYSA-N 0 3 432.573 -0.112 20 0 IBADHN CN(C[C@@H]1CCCN(CCCn2c(=O)c3c(ncn3C)n(C)c2=O)C1)S(C)(=O)=O ZINC000511097522 1071081053 /nfs/dbraw/zinc/08/10/53/1071081053.db2.gz WJNNGEGIGMDKLK-AWEZNQCLSA-N 0 3 426.543 -0.573 20 0 IBADHN CN(C[C@H]1CCCN(CCCn2c(=O)c3c(ncn3C)n(C)c2=O)C1)S(C)(=O)=O ZINC000511097523 1071080920 /nfs/dbraw/zinc/08/09/20/1071080920.db2.gz WJNNGEGIGMDKLK-CQSZACIVSA-N 0 3 426.543 -0.573 20 0 IBADHN CN(C)S(=O)(=O)[C@@H]1CCCN(C[C@@H](O)CN2CCC[C@H](S(=O)(=O)N(C)C)C2)C1 ZINC000511109634 1071088449 /nfs/dbraw/zinc/08/84/49/1071088449.db2.gz OQDGCQXXEQQLLD-OSYLJGHBSA-N 0 3 440.632 -0.941 20 0 IBADHN CCN(CC)CC(=O)N1CCN(C(=O)CNS(=O)(=O)c2c[nH]c3ncccc23)CC1 ZINC000511172512 1071104355 /nfs/dbraw/zinc/10/43/55/1071104355.db2.gz NYJGTRSEQOVABX-UHFFFAOYSA-N 0 3 436.538 -0.146 20 0 IBADHN CC[NH+](CC)CC(=O)N1CCN(C(=O)CNS(=O)(=O)c2c[n-]c3ncccc23)CC1 ZINC000511172512 1071104342 /nfs/dbraw/zinc/10/43/42/1071104342.db2.gz NYJGTRSEQOVABX-UHFFFAOYSA-N 0 3 436.538 -0.146 20 0 IBADHN O=C(CNS(=O)(=O)c1c[n-]c2ncccc12)N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000511208488 1071128177 /nfs/dbraw/zinc/12/81/77/1071128177.db2.gz KTLQVKPVDPAXBS-UHFFFAOYSA-N 0 3 434.522 -0.392 20 0 IBADHN O=C(CNS(=O)(=O)c1c[nH]c2ncccc12)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000511208488 1071128169 /nfs/dbraw/zinc/12/81/69/1071128169.db2.gz KTLQVKPVDPAXBS-UHFFFAOYSA-N 0 3 434.522 -0.392 20 0 IBADHN CCN1CCN(CCC(=O)N2CCN(S(=O)(=O)N3C[C@@H](C)O[C@@H](C)C3)CC2)CC1 ZINC000511261873 1071228223 /nfs/dbraw/zinc/22/82/23/1071228223.db2.gz ZUZZPXTYNGTLSV-HDICACEKSA-N 0 3 431.603 -0.488 20 0 IBADHN CCN1CCN(CCC(=O)N2CCN(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)CC2)CC1 ZINC000511261874 1071228285 /nfs/dbraw/zinc/22/82/85/1071228285.db2.gz ZUZZPXTYNGTLSV-QZTJIDSGSA-N 0 3 431.603 -0.488 20 0 IBADHN CCN1CCN(CCC(=O)N2CCN(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)CC2)CC1 ZINC000511261875 1071228258 /nfs/dbraw/zinc/22/82/58/1071228258.db2.gz ZUZZPXTYNGTLSV-ROUUACIJSA-N 0 3 431.603 -0.488 20 0 IBADHN COCCN1CCN(C(=O)C(=O)Nc2cccc(CN3CCC(C(N)=O)CC3)c2)CC1=O ZINC000511305652 1071250401 /nfs/dbraw/zinc/25/04/01/1071250401.db2.gz HDYBRVVZRQNPIS-UHFFFAOYSA-N 0 3 445.520 -0.360 20 0 IBADHN COCCN1CCN(C(=O)C(=O)Nc2ccc3oc(=O)n(CCN(C)C)c3c2)CC1=O ZINC000511332371 1071266516 /nfs/dbraw/zinc/26/65/16/1071266516.db2.gz HRSCNUZPIOHIRT-UHFFFAOYSA-N 0 3 433.465 -0.588 20 0 IBADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)NC[C@@H]3CS(=O)(=O)CCO3)cc2)CC1 ZINC000511455088 1071302682 /nfs/dbraw/zinc/30/26/82/1071302682.db2.gz RAHKGSHJTOBBHJ-GOSISDBHSA-N 0 3 438.550 -0.308 20 0 IBADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)NC[C@H]3CS(=O)(=O)CCO3)cc2)CC1 ZINC000511455089 1071302708 /nfs/dbraw/zinc/30/27/08/1071302708.db2.gz RAHKGSHJTOBBHJ-SFHVURJKSA-N 0 3 438.550 -0.308 20 0 IBADHN CCN1CCN(Cc2ccccc2CNC(=O)C(=O)Nc2cnn(CC(N)=O)c2)CC1 ZINC000511467873 1071304729 /nfs/dbraw/zinc/30/47/29/1071304729.db2.gz ADYQMLJODOLKOZ-UHFFFAOYSA-N 0 3 427.509 -0.239 20 0 IBADHN CN1CCN(S(=O)(=O)c2ccc(NCCCCN3CCN(CCO)CC3)nc2)CC1 ZINC000511692223 1071399574 /nfs/dbraw/zinc/39/95/74/1071399574.db2.gz PXMQRNSSPRBMMW-UHFFFAOYSA-N 0 3 440.614 -0.180 20 0 IBADHN CN(C(=O)c1cnc2c(cnn2C)c1[O-])C1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000512031646 1071457746 /nfs/dbraw/zinc/45/77/46/1071457746.db2.gz AMUPGLNGYWTFJG-UHFFFAOYSA-N 0 3 429.525 -0.016 20 0 IBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@@H]2CCCN(S(=O)(=O)C3CC3)C2)CC1 ZINC000512210915 1071476565 /nfs/dbraw/zinc/47/65/65/1071476565.db2.gz FKIZNXZTHYWBMG-NVXWUHKLSA-N 0 3 427.571 -0.109 20 0 IBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)N[C@@H]2CCCN(S(=O)(=O)C3CC3)C2)CC1 ZINC000512210916 1071476370 /nfs/dbraw/zinc/47/63/70/1071476370.db2.gz FKIZNXZTHYWBMG-WBVHZDCISA-N 0 3 427.571 -0.109 20 0 IBADHN CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)N[C@H](CO)CN2CCCCC2)c1 ZINC000512375361 1071496149 /nfs/dbraw/zinc/49/61/49/1071496149.db2.gz QPLUTJACBYCFTP-INIZCTEOSA-N 0 3 426.539 -0.370 20 0 IBADHN CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)N[C@@H](CO)CN2CCCCC2)c1 ZINC000512375362 1071496326 /nfs/dbraw/zinc/49/63/26/1071496326.db2.gz QPLUTJACBYCFTP-MRXNPFEDSA-N 0 3 426.539 -0.370 20 0 IBADHN CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N[C@H](CO)CN2CCCCC2)c1 ZINC000512379529 1071497696 /nfs/dbraw/zinc/49/76/96/1071497696.db2.gz KJBNVZBBEGFSNE-INIZCTEOSA-N 0 3 428.555 -0.158 20 0 IBADHN CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N[C@@H](CO)CN2CCCCC2)c1 ZINC000512379530 1071497712 /nfs/dbraw/zinc/49/77/12/1071497712.db2.gz KJBNVZBBEGFSNE-MRXNPFEDSA-N 0 3 428.555 -0.158 20 0 IBADHN Cn1c(N)c(C(=O)CN2CCN([C@@H]3CCN(Cc4ccccc4)C3)CC2)c(=O)n(C)c1=O ZINC000512426079 1071504274 /nfs/dbraw/zinc/50/42/74/1071504274.db2.gz DVEQELDMRMOLOO-GOSISDBHSA-N 0 3 440.548 -0.259 20 0 IBADHN Cn1c(N)c(C(=O)CN2CCN([C@H]3CCN(Cc4ccccc4)C3)CC2)c(=O)n(C)c1=O ZINC000512426081 1071504015 /nfs/dbraw/zinc/50/40/15/1071504015.db2.gz DVEQELDMRMOLOO-SFHVURJKSA-N 0 3 440.548 -0.259 20 0 IBADHN Cn1cc(CNC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)c(C(F)(F)F)n1 ZINC000512500369 1071520403 /nfs/dbraw/zinc/52/04/03/1071520403.db2.gz WDNHJKGKUBRAOU-CYBMUJFWSA-N 0 3 430.431 -0.180 20 0 IBADHN Cn1cc(CNC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)c(C(F)(F)F)n1 ZINC000512500372 1071520487 /nfs/dbraw/zinc/52/04/87/1071520487.db2.gz WDNHJKGKUBRAOU-ZDUSSCGKSA-N 0 3 430.431 -0.180 20 0 IBADHN Cn1cc(CNC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)c(C(F)(F)F)n1 ZINC000512510791 1071523191 /nfs/dbraw/zinc/52/31/91/1071523191.db2.gz YOFKBFWXXNLJCO-UHFFFAOYSA-N 0 3 430.431 -0.178 20 0 IBADHN C[C@]1(c2ccc(CNC(=O)NCCCCN3CCN(CCO)CC3)cc2)NC(=O)NC1=O ZINC000512601019 1071552363 /nfs/dbraw/zinc/55/23/63/1071552363.db2.gz CXVOBNPAVJFMSZ-JOCHJYFZSA-N 0 3 446.552 -0.070 20 0 IBADHN C[C@@]1(c2ccc(CNC(=O)NCCCCN3CCN(CCO)CC3)cc2)NC(=O)NC1=O ZINC000512601020 1071552281 /nfs/dbraw/zinc/55/22/81/1071552281.db2.gz CXVOBNPAVJFMSZ-QFIPXVFZSA-N 0 3 446.552 -0.070 20 0 IBADHN O=C(NCCCCN1CCN(CCO)CC1)NCCS(=O)(=O)N1CCSCC1 ZINC000512610467 1071552213 /nfs/dbraw/zinc/55/22/13/1071552213.db2.gz BKCHABHEPZMIMQ-UHFFFAOYSA-N 0 3 437.632 -0.946 20 0 IBADHN NC(=O)[C@H](c1ccccc1)N1CCN(C(=O)NCCCCN2CCN(CCO)CC2)CC1 ZINC000512655916 1071555836 /nfs/dbraw/zinc/55/58/36/1071555836.db2.gz XFSOPUSYALAILC-NRFANRHFSA-N 0 3 446.596 -0.070 20 0 IBADHN NC(=O)[C@@H](c1ccccc1)N1CCN(C(=O)NCCCCN2CCN(CCO)CC2)CC1 ZINC000512655917 1071555698 /nfs/dbraw/zinc/55/56/98/1071555698.db2.gz XFSOPUSYALAILC-OAQYLSRUSA-N 0 3 446.596 -0.070 20 0 IBADHN CNS(=O)(=O)c1cccc(CNC(=O)NCCCCN2CCN(CCO)CC2)c1 ZINC000512668766 1071556312 /nfs/dbraw/zinc/55/63/12/1071556312.db2.gz WNLZVPJKKJBEMJ-UHFFFAOYSA-N 0 3 427.571 -0.216 20 0 IBADHN O=C(NCCCCN1CCN(CCO)CC1)NC[C@@]1(N2CCOCC2)CCSC1 ZINC000512672986 1071556935 /nfs/dbraw/zinc/55/69/35/1071556935.db2.gz NRJCBUZJVDDAQF-FQEVSTJZSA-N 0 3 429.631 -0.116 20 0 IBADHN O=C(NCCCCN1CCN(CCO)CC1)NC[C@]1(N2CCOCC2)CCSC1 ZINC000512672987 1071557057 /nfs/dbraw/zinc/55/70/57/1071557057.db2.gz NRJCBUZJVDDAQF-HXUWFJFHSA-N 0 3 429.631 -0.116 20 0 IBADHN C[C@H]1CN(C(=O)N[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)CC[C@@H]1N1CCN(C)CC1 ZINC000512693147 1071558635 /nfs/dbraw/zinc/55/86/35/1071558635.db2.gz HGWNPYZXPJSEOF-KSZLIROESA-N 0 3 430.619 -0.075 20 0 IBADHN C[C@@H]1CN(C(=O)N[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)CC[C@@H]1N1CCN(C)CC1 ZINC000512693148 1071558584 /nfs/dbraw/zinc/55/85/84/1071558584.db2.gz HGWNPYZXPJSEOF-KURKYZTESA-N 0 3 430.619 -0.075 20 0 IBADHN C[C@@H]1CN(C(=O)N[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)CC[C@H]1N1CCN(C)CC1 ZINC000512693149 1071558466 /nfs/dbraw/zinc/55/84/66/1071558466.db2.gz HGWNPYZXPJSEOF-KZNAEPCWSA-N 0 3 430.619 -0.075 20 0 IBADHN C[C@H]1CN(C(=O)N[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)CC[C@H]1N1CCN(C)CC1 ZINC000512693150 1071558688 /nfs/dbraw/zinc/55/86/88/1071558688.db2.gz HGWNPYZXPJSEOF-RCCFBDPRSA-N 0 3 430.619 -0.075 20 0 IBADHN CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC000512698723 1071559130 /nfs/dbraw/zinc/55/91/30/1071559130.db2.gz LFTDRGIYWKTMTO-CVEARBPZSA-N 0 3 430.575 -0.795 20 0 IBADHN CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC000512698724 1071559017 /nfs/dbraw/zinc/55/90/17/1071559017.db2.gz LFTDRGIYWKTMTO-HZPDHXFCSA-N 0 3 430.575 -0.795 20 0 IBADHN CCN(CC)CC(=O)N1CCN(C(=O)N[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)CC1 ZINC000512707754 1071559649 /nfs/dbraw/zinc/55/96/49/1071559649.db2.gz NIQSKTXJCISTKX-MRXNPFEDSA-N 0 3 432.591 -0.547 20 0 IBADHN CS(=O)(=O)NCC[C@H]1CCCCN1C(=O)NCCCCN1CCN(CCO)CC1 ZINC000512806734 1071569857 /nfs/dbraw/zinc/56/98/57/1071569857.db2.gz AVYORUKLKJRTEZ-GOSISDBHSA-N 0 3 433.619 -0.120 20 0 IBADHN CS(=O)(=O)NCC[C@@H]1CCCCN1C(=O)NCCCCN1CCN(CCO)CC1 ZINC000512806735 1071569616 /nfs/dbraw/zinc/56/96/16/1071569616.db2.gz AVYORUKLKJRTEZ-SFHVURJKSA-N 0 3 433.619 -0.120 20 0 IBADHN COCCN(CCOC)C1CCN([C@@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)CC1 ZINC000512823890 1071570893 /nfs/dbraw/zinc/57/08/93/1071570893.db2.gz NFXUKVSPPAYKSL-AWEZNQCLSA-N 0 3 425.530 -0.703 20 0 IBADHN COCCN(CCOC)C1CCN([C@H](C)C(=O)c2c(N)n(C)c(=O)n(C)c2=O)CC1 ZINC000512823891 1071571008 /nfs/dbraw/zinc/57/10/08/1071571008.db2.gz NFXUKVSPPAYKSL-CQSZACIVSA-N 0 3 425.530 -0.703 20 0 IBADHN O=C(CN1CCN(C(=O)NCCCCN2CCN(CCO)CC2)CC1)N1CCCCC1 ZINC000512840324 1071573331 /nfs/dbraw/zinc/57/33/31/1071573331.db2.gz VUAXDCRXWFIWBM-UHFFFAOYSA-N 0 3 438.617 -0.284 20 0 IBADHN CN(C)C(=O)c1cccc(CCNC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)c1 ZINC000512987753 1071583723 /nfs/dbraw/zinc/58/37/23/1071583723.db2.gz SASDRSSJEKMZFN-IBGZPJMESA-N 0 3 443.548 -0.188 20 0 IBADHN CN(C)C(=O)c1cccc(CCNC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)c1 ZINC000512987754 1071583752 /nfs/dbraw/zinc/58/37/52/1071583752.db2.gz SASDRSSJEKMZFN-LJQANCHMSA-N 0 3 443.548 -0.188 20 0 IBADHN CN(C)C(=O)c1cccc(CCNC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)c1 ZINC000513022972 1071586322 /nfs/dbraw/zinc/58/63/22/1071586322.db2.gz CGESRWIQTZLXSA-UHFFFAOYSA-N 0 3 443.548 -0.186 20 0 IBADHN CCC(CC)(NC(=O)C1CN(CCC(=O)N2CCN(c3ncccn3)CC2)C1)C(N)=O ZINC000513251657 1071619483 /nfs/dbraw/zinc/61/94/83/1071619483.db2.gz CWJLPRFPLWZNGP-UHFFFAOYSA-N 0 3 431.541 -0.393 20 0 IBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)Cn1cc(Br)c(=O)[nH]c1=O ZINC000513429252 1071627879 /nfs/dbraw/zinc/62/78/79/1071627879.db2.gz RNDSLPMXJGSFKZ-GFCCVEGCSA-N 0 3 430.303 -0.230 20 0 IBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)Cn1cc(Br)c(=O)[nH]c1=O ZINC000513429254 1071627942 /nfs/dbraw/zinc/62/79/42/1071627942.db2.gz RNDSLPMXJGSFKZ-LBPRGKRZSA-N 0 3 430.303 -0.230 20 0 IBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000513443279 1071629212 /nfs/dbraw/zinc/62/92/12/1071629212.db2.gz HJVMXYZZMYSRBR-JYJNAYRXSA-N 0 3 428.555 -0.919 20 0 IBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000513443280 1071629181 /nfs/dbraw/zinc/62/91/81/1071629181.db2.gz HJVMXYZZMYSRBR-OAGGEKHMSA-N 0 3 428.555 -0.919 20 0 IBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000513443281 1071629017 /nfs/dbraw/zinc/62/90/17/1071629017.db2.gz HJVMXYZZMYSRBR-PMPSAXMXSA-N 0 3 428.555 -0.919 20 0 IBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000513443282 1071628997 /nfs/dbraw/zinc/62/89/97/1071628997.db2.gz HJVMXYZZMYSRBR-XHSDSOJGSA-N 0 3 428.555 -0.919 20 0 IBADHN O=C(NCCN1CCNC(=O)C1)C(=O)Nc1ccnn1[C@@H]1CCN(Cc2ccccc2)C1 ZINC000513639977 1071640300 /nfs/dbraw/zinc/64/03/00/1071640300.db2.gz ICIAHYHFOJFSFN-GOSISDBHSA-N 0 3 439.520 -0.183 20 0 IBADHN O=C(NCCN1CCNC(=O)C1)C(=O)Nc1ccnn1[C@H]1CCN(Cc2ccccc2)C1 ZINC000513639978 1071640989 /nfs/dbraw/zinc/64/09/89/1071640989.db2.gz ICIAHYHFOJFSFN-SFHVURJKSA-N 0 3 439.520 -0.183 20 0 IBADHN CN(C(=O)c1ccc(NC(=O)C(=O)NCCN2CCNC(=O)C2)cc1)[C@@H]1CCCN(C)C1 ZINC000513644261 1071641493 /nfs/dbraw/zinc/64/14/93/1071641493.db2.gz AHBBWSDBMGBUSB-GOSISDBHSA-N 0 3 444.536 -0.661 20 0 IBADHN CN(C(=O)c1ccc(NC(=O)C(=O)NCCN2CCNC(=O)C2)cc1)[C@H]1CCCN(C)C1 ZINC000513644263 1071641377 /nfs/dbraw/zinc/64/13/77/1071641377.db2.gz AHBBWSDBMGBUSB-SFHVURJKSA-N 0 3 444.536 -0.661 20 0 IBADHN CCc1c(C(=O)N2CCN(C(=O)CN(CC)CC)CC2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000513774306 1071715182 /nfs/dbraw/zinc/71/51/82/1071715182.db2.gz XOCHPEJSWKOYNP-UHFFFAOYSA-N 0 3 444.536 -0.179 20 0 IBADHN CCc1c(C(=O)N2CCN(C(=O)CN3CCCC3)CC2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000513775829 1071715205 /nfs/dbraw/zinc/71/52/05/1071715205.db2.gz WKMSSCDVTRHQQI-UHFFFAOYSA-N 0 3 442.520 -0.425 20 0 IBADHN CCc1c(C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)cnc2c1c(=O)n(C)c(=O)n2C ZINC000513828881 1071774119 /nfs/dbraw/zinc/77/41/19/1071774119.db2.gz RISYJAGXWAZELM-INIZCTEOSA-N 0 3 444.536 -0.133 20 0 IBADHN CCc1c(C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)cnc2c1c(=O)n(C)c(=O)n2C ZINC000513828882 1071773952 /nfs/dbraw/zinc/77/39/52/1071773952.db2.gz RISYJAGXWAZELM-MRXNPFEDSA-N 0 3 444.536 -0.133 20 0 IBADHN CCc1c(C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000514063496 1071784251 /nfs/dbraw/zinc/78/42/51/1071784251.db2.gz ZYMAETCUNVUSGA-INIZCTEOSA-N 0 3 442.520 -0.427 20 0 IBADHN CCc1c(C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000514063497 1071784835 /nfs/dbraw/zinc/78/48/35/1071784835.db2.gz ZYMAETCUNVUSGA-MRXNPFEDSA-N 0 3 442.520 -0.427 20 0 IBADHN O=C(CN1CCN(C2CCC2)CC1)N1CCN(C(=O)CN2CCN(C3CCC3)CC2)CC1 ZINC000514175332 1071792699 /nfs/dbraw/zinc/79/26/99/1071792699.db2.gz YAHAEJLSAUYCCE-UHFFFAOYSA-N 0 3 446.640 -0.003 20 0 IBADHN O=C(CN1CCCC1)N1CCN(C(=O)C(=O)NCCc2nnc3n2CCCCC3)CC1 ZINC000514304135 1071795506 /nfs/dbraw/zinc/79/55/06/1071795506.db2.gz NEPJNPOSPHQVBF-UHFFFAOYSA-N 0 3 431.541 -0.570 20 0 IBADHN CCN(CC)[C@H](CNC(=O)C(=O)N1CCN(C(=O)Cn2cnnn2)CC1)c1ccccc1 ZINC000514304636 1071796213 /nfs/dbraw/zinc/79/62/13/1071796213.db2.gz RQCWENUKARWFOT-GOSISDBHSA-N 0 3 442.524 -0.457 20 0 IBADHN CCN(CC)[C@@H](CNC(=O)C(=O)N1CCN(C(=O)Cn2cnnn2)CC1)c1ccccc1 ZINC000514304638 1071796331 /nfs/dbraw/zinc/79/63/31/1071796331.db2.gz RQCWENUKARWFOT-SFHVURJKSA-N 0 3 442.524 -0.457 20 0 IBADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NCCCN1CCN(c2ncccn2)CC1 ZINC000514304656 1071796225 /nfs/dbraw/zinc/79/62/25/1071796225.db2.gz SIIDAODRRBGMMG-IBGZPJMESA-N 0 3 447.584 -0.326 20 0 IBADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NCCCN1CCN(c2ncccn2)CC1 ZINC000514304657 1071796139 /nfs/dbraw/zinc/79/61/39/1071796139.db2.gz SIIDAODRRBGMMG-LJQANCHMSA-N 0 3 447.584 -0.326 20 0 IBADHN CN(CCNC(=O)C1CCN(C(=O)C(=O)N[C@H]2CC(=O)N(C)C2)CC1)Cc1ccccc1 ZINC000514311109 1071797300 /nfs/dbraw/zinc/79/73/00/1071797300.db2.gz SDMTTXAXCOZNDC-IBGZPJMESA-N 0 3 443.548 -0.180 20 0 IBADHN CN(CCNC(=O)C1CCN(C(=O)C(=O)N[C@@H]2CC(=O)N(C)C2)CC1)Cc1ccccc1 ZINC000514311114 1071797336 /nfs/dbraw/zinc/79/73/36/1071797336.db2.gz SDMTTXAXCOZNDC-LJQANCHMSA-N 0 3 443.548 -0.180 20 0 IBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)N(C)C1CCN(c2cnccn2)CC1 ZINC000514323219 1071801067 /nfs/dbraw/zinc/80/10/67/1071801067.db2.gz AMWOXXHZIODTTN-GOSISDBHSA-N 0 3 445.568 -0.037 20 0 IBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)N(C)C1CCN(c2cnccn2)CC1 ZINC000514323220 1071800936 /nfs/dbraw/zinc/80/09/36/1071800936.db2.gz AMWOXXHZIODTTN-SFHVURJKSA-N 0 3 445.568 -0.037 20 0 IBADHN CN1CCN(S(=O)(=O)N2CCN(C(=O)CC3(N4CCOCC4)CCCC3)CC2)CC1 ZINC000514412240 1071814946 /nfs/dbraw/zinc/81/49/46/1071814946.db2.gz MTGRUZXDXZYMNB-UHFFFAOYSA-N 0 3 443.614 -0.342 20 0 IBADHN CC[S@](=O)[C@H]1CCC[C@H](NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000514412867 1071814968 /nfs/dbraw/zinc/81/49/68/1071814968.db2.gz SMQKPBCMBGQOGD-HGKJHCCASA-N 0 3 426.583 -0.051 20 0 IBADHN CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000514412868 1071814734 /nfs/dbraw/zinc/81/47/34/1071814734.db2.gz SMQKPBCMBGQOGD-KRQILSMLSA-N 0 3 426.583 -0.051 20 0 IBADHN CC[S@](=O)[C@@H]1CCC[C@@H](NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000514412869 1071815038 /nfs/dbraw/zinc/81/50/38/1071815038.db2.gz SMQKPBCMBGQOGD-MVJQZIEYSA-N 0 3 426.583 -0.051 20 0 IBADHN CC[S@](=O)[C@H]1CCC[C@@H](NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000514412870 1071814803 /nfs/dbraw/zinc/81/48/03/1071814803.db2.gz SMQKPBCMBGQOGD-WWTSWKCXSA-N 0 3 426.583 -0.051 20 0 IBADHN C[C@H](NC(=O)C(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1)C1=CCN(C)CC1 ZINC000514422394 1071816825 /nfs/dbraw/zinc/81/68/25/1071816825.db2.gz KKTGIFQJJZZMCV-DOTOQJQBSA-N 0 3 428.555 -0.594 20 0 IBADHN C[C@@H](NC(=O)C(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1)C1=CCN(C)CC1 ZINC000514422396 1071817158 /nfs/dbraw/zinc/81/71/58/1071817158.db2.gz KKTGIFQJJZZMCV-NVXWUHKLSA-N 0 3 428.555 -0.594 20 0 IBADHN C[C@H](NC(=O)C(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1)C1=CCN(C)CC1 ZINC000514422399 1071816998 /nfs/dbraw/zinc/81/69/98/1071816998.db2.gz KKTGIFQJJZZMCV-RDJZCZTQSA-N 0 3 428.555 -0.594 20 0 IBADHN C[C@@H](NC(=O)C(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1)C1=CCN(C)CC1 ZINC000514422400 1071816903 /nfs/dbraw/zinc/81/69/03/1071816903.db2.gz KKTGIFQJJZZMCV-WBVHZDCISA-N 0 3 428.555 -0.594 20 0 IBADHN CNS(=O)(=O)[C@@H]1CCN(Cc2cccc(CN3CC[C@H](S(=O)(=O)NC)C3)c2)C1 ZINC000514423136 1071817967 /nfs/dbraw/zinc/81/79/67/1071817967.db2.gz YDNDSPJSKCXYMG-HDICACEKSA-N 0 3 430.596 -0.066 20 0 IBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)N1CCN(Cc2ccncc2)CC1 ZINC000514434925 1071820726 /nfs/dbraw/zinc/82/07/26/1071820726.db2.gz BIVWKGPCBHQHAQ-IBGZPJMESA-N 0 3 430.553 -0.215 20 0 IBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)N1CCN(Cc2ccncc2)CC1 ZINC000514434927 1071820856 /nfs/dbraw/zinc/82/08/56/1071820856.db2.gz BIVWKGPCBHQHAQ-LJQANCHMSA-N 0 3 430.553 -0.215 20 0 IBADHN C[C@H]1C[C@@H]1N1CCN(C(=O)C(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)C[C@@H](C)C1 ZINC000514449100 1071822618 /nfs/dbraw/zinc/82/26/18/1071822618.db2.gz JXEOGOWPZHTQKZ-BQFCYCMXSA-N 0 3 432.525 -0.131 20 0 IBADHN C[C@@H]1C[C@@H]1N1CCN(C(=O)C(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)C[C@@H](C)C1 ZINC000514449101 1071822787 /nfs/dbraw/zinc/82/27/87/1071822787.db2.gz JXEOGOWPZHTQKZ-JZXOWHBKSA-N 0 3 432.525 -0.131 20 0 IBADHN C[C@@H]1C[C@H]1N1CCN(C(=O)C(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)C[C@@H](C)C1 ZINC000514449102 1071822540 /nfs/dbraw/zinc/82/25/40/1071822540.db2.gz JXEOGOWPZHTQKZ-LZLYRXPVSA-N 0 3 432.525 -0.131 20 0 IBADHN C[C@H]1C[C@H]1N1CCN(C(=O)C(=O)Nc2cnn(CC(=O)N3CCOCC3)c2)C[C@@H](C)C1 ZINC000514449103 1071822768 /nfs/dbraw/zinc/82/27/68/1071822768.db2.gz JXEOGOWPZHTQKZ-XYJFISCASA-N 0 3 432.525 -0.131 20 0 IBADHN Cc1noc(C)c1S(=O)(=O)NCC(=O)NC1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C ZINC000514638884 1071839419 /nfs/dbraw/zinc/83/94/19/1071839419.db2.gz MARIQUSIRFQKSR-GOOCMWNKSA-N 0 3 427.527 -0.230 20 0 IBADHN Cc1ccc(C(=O)NCCNC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)cc1F ZINC000514740928 1071847214 /nfs/dbraw/zinc/84/72/14/1071847214.db2.gz ARMQLVSYPSUOLS-GOSISDBHSA-N 0 3 447.511 -0.255 20 0 IBADHN Cc1ccc(C(=O)NCCNC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)cc1F ZINC000514740929 1071847054 /nfs/dbraw/zinc/84/70/54/1071847054.db2.gz ARMQLVSYPSUOLS-SFHVURJKSA-N 0 3 447.511 -0.255 20 0 IBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000514746115 1071852491 /nfs/dbraw/zinc/85/24/91/1071852491.db2.gz CJHGXTATAKRTBC-CHWSQXEVSA-N 0 3 435.447 -0.675 20 0 IBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)N[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000514746119 1071852200 /nfs/dbraw/zinc/85/22/00/1071852200.db2.gz CJHGXTATAKRTBC-OLZOCXBDSA-N 0 3 435.447 -0.675 20 0 IBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)N[C@H]1CCN(CC(F)(F)F)C1=O ZINC000514746121 1071852449 /nfs/dbraw/zinc/85/24/49/1071852449.db2.gz CJHGXTATAKRTBC-QWHCGFSZSA-N 0 3 435.447 -0.675 20 0 IBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)N[C@H]1CCN(CC(F)(F)F)C1=O ZINC000514746123 1071852317 /nfs/dbraw/zinc/85/23/17/1071852317.db2.gz CJHGXTATAKRTBC-STQMWFEESA-N 0 3 435.447 -0.675 20 0 IBADHN O=C(CN1CCCC1)N1CCN(C(=O)C(=O)N[C@H]2CCCN(CC(F)(F)F)C2=O)CC1 ZINC000514751418 1071850341 /nfs/dbraw/zinc/85/03/41/1071850341.db2.gz ILESXKHNLIFOFB-AWEZNQCLSA-N 0 3 447.458 -0.578 20 0 IBADHN O=C(CN1CCCC1)N1CCN(C(=O)C(=O)N[C@@H]2CCCN(CC(F)(F)F)C2=O)CC1 ZINC000514751423 1071850534 /nfs/dbraw/zinc/85/05/34/1071850534.db2.gz ILESXKHNLIFOFB-CQSZACIVSA-N 0 3 447.458 -0.578 20 0 IBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCc2ncnn2-c2ccccc2)CC1 ZINC000514758519 1071850958 /nfs/dbraw/zinc/85/09/58/1071850958.db2.gz MSHPOSZTIHYAAF-KRWDZBQOSA-N 0 3 425.493 -0.352 20 0 IBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCc2ncnn2-c2ccccc2)CC1 ZINC000514758520 1071850996 /nfs/dbraw/zinc/85/09/96/1071850996.db2.gz MSHPOSZTIHYAAF-QGZVFWFLSA-N 0 3 425.493 -0.352 20 0 IBADHN C[C@@H]1CN(CCOC2CCN([C@H]3CC(=O)N(CCOCCO)C3=O)CC2)C[C@@H](C)O1 ZINC000514764884 1071853321 /nfs/dbraw/zinc/85/33/21/1071853321.db2.gz NDTHNBMZPKBPJV-LMMKCTJWSA-N 0 3 427.542 -0.287 20 0 IBADHN C[C@@H]1CN(CCOC2CCN([C@H]3CC(=O)N(CCOCCO)C3=O)CC2)C[C@H](C)O1 ZINC000514764885 1071853027 /nfs/dbraw/zinc/85/30/27/1071853027.db2.gz NDTHNBMZPKBPJV-SCTDSRPQSA-N 0 3 427.542 -0.287 20 0 IBADHN C[C@@H]1CN(CCOC2CCN([C@@H]3CC(=O)N(CCOCCO)C3=O)CC2)C[C@@H](C)O1 ZINC000514764886 1071853368 /nfs/dbraw/zinc/85/33/68/1071853368.db2.gz NDTHNBMZPKBPJV-ZHALLVOQSA-N 0 3 427.542 -0.287 20 0 IBADHN C[C@@H]1CN(CCOC2CCN([C@@H]3CC(=O)N(CCOCCO)C3=O)CC2)C[C@H](C)O1 ZINC000514764887 1071853257 /nfs/dbraw/zinc/85/32/57/1071853257.db2.gz NDTHNBMZPKBPJV-ZIFCJYIRSA-N 0 3 427.542 -0.287 20 0 IBADHN CCCCN(C(=O)CN1CCN2C(=O)[C@@H](N)C[C@H]2C1)c1c(N)n(CCC)c(=O)[nH]c1=O ZINC000514798257 1071855139 /nfs/dbraw/zinc/85/51/39/1071855139.db2.gz IDWCGEQBLQPLNZ-KBPBESRZSA-N 0 3 435.529 -0.682 20 0 IBADHN CCCCN(C(=O)CN1CCN2C(=O)[C@@H](N)C[C@@H]2C1)c1c(N)n(CCC)c(=O)[nH]c1=O ZINC000514798258 1071854987 /nfs/dbraw/zinc/85/49/87/1071854987.db2.gz IDWCGEQBLQPLNZ-KGLIPLIRSA-N 0 3 435.529 -0.682 20 0 IBADHN CCCCN(C(=O)CN1CCN2C(=O)[C@H](N)C[C@H]2C1)c1c(N)n(CCC)c(=O)[nH]c1=O ZINC000514798259 1071855004 /nfs/dbraw/zinc/85/50/04/1071855004.db2.gz IDWCGEQBLQPLNZ-UONOGXRCSA-N 0 3 435.529 -0.682 20 0 IBADHN CCCCN(C(=O)CN1CCN2C(=O)[C@H](N)C[C@@H]2C1)c1c(N)n(CCC)c(=O)[nH]c1=O ZINC000514798260 1071855280 /nfs/dbraw/zinc/85/52/80/1071855280.db2.gz IDWCGEQBLQPLNZ-ZIAGYGMSSA-N 0 3 435.529 -0.682 20 0 IBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCc2cccnc2N2CCOCC2)CC1 ZINC000514802863 1071855823 /nfs/dbraw/zinc/85/58/23/1071855823.db2.gz WIJULNMAFBGVIB-GOSISDBHSA-N 0 3 444.536 -0.701 20 0 IBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCc2cccnc2N2CCOCC2)CC1 ZINC000514802864 1071855904 /nfs/dbraw/zinc/85/59/04/1071855904.db2.gz WIJULNMAFBGVIB-SFHVURJKSA-N 0 3 444.536 -0.701 20 0 IBADHN Cc1cc(N2CCC[C@@H](NC(=O)C(=O)N3CCN(C(=O)[C@@H]4CCCN4C)CC3)C2)n(C)n1 ZINC000514817777 1071858462 /nfs/dbraw/zinc/85/84/62/1071858462.db2.gz CLALSEZSMHTTJM-MSOLQXFVSA-N 0 3 445.568 -0.421 20 0 IBADHN Cc1cc(N2CCC[C@@H](NC(=O)C(=O)N3CCN(C(=O)[C@H]4CCCN4C)CC3)C2)n(C)n1 ZINC000514817784 1071858370 /nfs/dbraw/zinc/85/83/70/1071858370.db2.gz CLALSEZSMHTTJM-QZTJIDSGSA-N 0 3 445.568 -0.421 20 0 IBADHN Cc1cc(N2CCC[C@H](NC(=O)C(=O)N3CCN(C(=O)[C@@H]4CCCN4C)CC3)C2)n(C)n1 ZINC000514817785 1071858639 /nfs/dbraw/zinc/85/86/39/1071858639.db2.gz CLALSEZSMHTTJM-ROUUACIJSA-N 0 3 445.568 -0.421 20 0 IBADHN Cc1cc(N2CCC[C@H](NC(=O)C(=O)N3CCN(C(=O)[C@H]4CCCN4C)CC3)C2)n(C)n1 ZINC000514817787 1071858571 /nfs/dbraw/zinc/85/85/71/1071858571.db2.gz CLALSEZSMHTTJM-ZWKOTPCHSA-N 0 3 445.568 -0.421 20 0 IBADHN CN1CCN(c2cc(CNC(=O)C(=O)N3CCN(C[C@@H]4CCOC4)CC3)ccn2)CC1 ZINC000514827850 1071857684 /nfs/dbraw/zinc/85/76/84/1071857684.db2.gz SHQXSESDNDCGTG-IBGZPJMESA-N 0 3 430.553 -0.370 20 0 IBADHN CN1CCN(c2cc(CNC(=O)C(=O)N3CCN(C[C@H]4CCOC4)CC3)ccn2)CC1 ZINC000514827851 1071857846 /nfs/dbraw/zinc/85/78/46/1071857846.db2.gz SHQXSESDNDCGTG-LJQANCHMSA-N 0 3 430.553 -0.370 20 0 IBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N[C@H](CC(=O)NC)c2ccccc2)CC1 ZINC000514963263 1071866913 /nfs/dbraw/zinc/86/69/13/1071866913.db2.gz NBCRWQHENNAETH-GOSISDBHSA-N 0 3 431.537 -0.007 20 0 IBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N[C@@H](CC(=O)NC)c2ccccc2)CC1 ZINC000514963264 1071866940 /nfs/dbraw/zinc/86/69/40/1071866940.db2.gz NBCRWQHENNAETH-SFHVURJKSA-N 0 3 431.537 -0.007 20 0 IBADHN CCN1CCN([C@H]2CCN(C(=O)C(=O)NCc3ccnc(N4CCN(C)CC4)c3)C2)CC1 ZINC000515011814 1071872010 /nfs/dbraw/zinc/87/20/10/1071872010.db2.gz SUCYOXUEICKNEU-FQEVSTJZSA-N 0 3 443.596 -0.312 20 0 IBADHN CCN1CCN([C@@H]2CCN(C(=O)C(=O)NCc3ccnc(N4CCN(C)CC4)c3)C2)CC1 ZINC000515011815 1071871832 /nfs/dbraw/zinc/87/18/32/1071871832.db2.gz SUCYOXUEICKNEU-HXUWFJFHSA-N 0 3 443.596 -0.312 20 0 IBADHN COCCN(CCN(C)C)C(=O)C(=O)NC[C@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2 ZINC000515067173 1071873308 /nfs/dbraw/zinc/87/33/08/1071873308.db2.gz SRTFZVSINIZDHO-PMACEKPBSA-N 0 3 445.564 -0.262 20 0 IBADHN COCCN(CCN(C)C)C(=O)C(=O)NC[C@@H]1CN(C(=O)c2ccccc2)[C@H]2CCN1C2 ZINC000515067174 1071873313 /nfs/dbraw/zinc/87/33/13/1071873313.db2.gz SRTFZVSINIZDHO-VQTJNVASSA-N 0 3 445.564 -0.262 20 0 IBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N[C@H]2CCN(c3ncccc3F)C2)CC1 ZINC000515247640 1071880741 /nfs/dbraw/zinc/88/07/41/1071880741.db2.gz RASLYBWFUBDYRJ-INIZCTEOSA-N 0 3 434.516 -0.072 20 0 IBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N[C@@H]2CCN(c3ncccc3F)C2)CC1 ZINC000515247641 1071880688 /nfs/dbraw/zinc/88/06/88/1071880688.db2.gz RASLYBWFUBDYRJ-MRXNPFEDSA-N 0 3 434.516 -0.072 20 0 IBADHN Cc1ccc(NC(=O)C(=O)NCCCN2CCN(C)CC2)cc1S(=O)(=O)N(C)C ZINC000515259061 1071882757 /nfs/dbraw/zinc/88/27/57/1071882757.db2.gz BBEIGGXSTJEIQR-UHFFFAOYSA-N 0 3 425.555 -0.062 20 0 IBADHN CCN1CCN(CCCNC(=O)C(=O)Nc2ccc(C)c(S(=O)(=O)NC)c2)CC1 ZINC000515278287 1071884760 /nfs/dbraw/zinc/88/47/60/1071884760.db2.gz SPGYMUTYXJVMIG-UHFFFAOYSA-N 0 3 425.555 -0.015 20 0 IBADHN CCN1CCN(CCNC(=O)C(=O)Nc2cc(S(=O)(=O)N(C)C)ccc2OC)CC1 ZINC000515279637 1071884116 /nfs/dbraw/zinc/88/41/16/1071884116.db2.gz QNYDGVGOOLQWBZ-UHFFFAOYSA-N 0 3 441.554 -0.362 20 0 IBADHN O=C(N[C@H]1CCN(Cc2ccccc2)C1)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000515291888 1071884825 /nfs/dbraw/zinc/88/48/25/1071884825.db2.gz VAYYOESDXDFVEZ-IBGZPJMESA-N 0 3 429.521 -0.027 20 0 IBADHN O=C(N[C@@H]1CCN(Cc2ccccc2)C1)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000515291889 1071884623 /nfs/dbraw/zinc/88/46/23/1071884623.db2.gz VAYYOESDXDFVEZ-LJQANCHMSA-N 0 3 429.521 -0.027 20 0 IBADHN CN1CCN(CCCCNC(=O)C(=O)N2CCN(CC(=O)N3CCCCC3)CC2)CC1 ZINC000515342754 1071888032 /nfs/dbraw/zinc/88/80/32/1071888032.db2.gz DSJXETDDFNAPAE-UHFFFAOYSA-N 0 3 436.601 -0.713 20 0 IBADHN CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)CC1 ZINC000515536779 1071895138 /nfs/dbraw/zinc/89/51/38/1071895138.db2.gz LQLUEYOJAPDPLQ-FQEVSTJZSA-N 0 3 445.564 -0.326 20 0 IBADHN CCNC(=O)CN1CCN(C(=O)C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)CC1 ZINC000515536780 1071894944 /nfs/dbraw/zinc/89/49/44/1071894944.db2.gz LQLUEYOJAPDPLQ-HXUWFJFHSA-N 0 3 445.564 -0.326 20 0 IBADHN COc1cnccc1N1CCN(C(=O)C(=O)N[C@H]2CCN(c3cc(C)nn3C)C2=O)CC1 ZINC000515696173 1071903346 /nfs/dbraw/zinc/90/33/46/1071903346.db2.gz FCTFNHOYBOWTDZ-HNNXBMFYSA-N 0 3 441.492 -0.298 20 0 IBADHN COc1cnccc1N1CCN(C(=O)C(=O)N[C@@H]2CCN(c3cc(C)nn3C)C2=O)CC1 ZINC000515696174 1071903229 /nfs/dbraw/zinc/90/32/29/1071903229.db2.gz FCTFNHOYBOWTDZ-OAHLLOKOSA-N 0 3 441.492 -0.298 20 0 IBADHN CN1CCN(CCCNC(=O)C(=O)Nc2cnn(CC(N)=O)c2)[C@@H](c2ccccc2)C1 ZINC000515895458 1071911821 /nfs/dbraw/zinc/91/18/21/1071911821.db2.gz JAFYSDGPGYWXCQ-GOSISDBHSA-N 0 3 427.509 -0.198 20 0 IBADHN CN1CCN(CCCNC(=O)C(=O)Nc2cnn(CC(N)=O)c2)[C@H](c2ccccc2)C1 ZINC000515895459 1071911929 /nfs/dbraw/zinc/91/19/29/1071911929.db2.gz JAFYSDGPGYWXCQ-SFHVURJKSA-N 0 3 427.509 -0.198 20 0 IBADHN CN(C)Cc1cccc(NC(=O)C(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)c1 ZINC000515945418 1071915402 /nfs/dbraw/zinc/91/54/02/1071915402.db2.gz PZBQFWWUHRZFOO-UHFFFAOYSA-N 0 3 431.493 -0.784 20 0 IBADHN Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)N3CCN4C(=O)[C@H](N)C[C@H]4C3)CC2)cc1 ZINC000516089768 1071924258 /nfs/dbraw/zinc/92/42/58/1071924258.db2.gz WONSWAGJIBNXBW-JENIJYKNSA-N 0 3 449.577 -0.540 20 0 IBADHN Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)N3CCN4C(=O)[C@@H](N)C[C@H]4C3)CC2)cc1 ZINC000516089769 1071924273 /nfs/dbraw/zinc/92/42/73/1071924273.db2.gz WONSWAGJIBNXBW-LNLFQRSKSA-N 0 3 449.577 -0.540 20 0 IBADHN Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)N3CCN4C(=O)[C@@H](N)C[C@@H]4C3)CC2)cc1 ZINC000516089770 1071924438 /nfs/dbraw/zinc/92/44/38/1071924438.db2.gz WONSWAGJIBNXBW-SCTDSRPQSA-N 0 3 449.577 -0.540 20 0 IBADHN Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)N3CCN4C(=O)[C@H](N)C[C@@H]4C3)CC2)cc1 ZINC000516089771 1071924342 /nfs/dbraw/zinc/92/43/42/1071924342.db2.gz WONSWAGJIBNXBW-YQVWRLOYSA-N 0 3 449.577 -0.540 20 0 IBADHN Cc1cc(N2CCC(NC(=O)C(=O)N3CCN(C(=O)CN4CCCC4)CC3)CC2)n[nH]1 ZINC000516215544 1071929420 /nfs/dbraw/zinc/92/94/20/1071929420.db2.gz YRFJHMFHUTUDGA-UHFFFAOYSA-N 0 3 431.541 -0.430 20 0 IBADHN CN1CCN(Cc2cccc(NC(=O)C(=O)NCCC(=O)N3CCN(C)CC3)c2)CC1 ZINC000516296864 1071931210 /nfs/dbraw/zinc/93/12/10/1071931210.db2.gz RQPPGUHUGSXHEA-UHFFFAOYSA-N 0 3 430.553 -0.347 20 0 IBADHN CCN1CCN(CCNC(=O)C(=O)Nc2ccc(C(=O)N3CCN(C)CC3)cc2)CC1 ZINC000516306105 1071931743 /nfs/dbraw/zinc/93/17/43/1071931743.db2.gz GAWNAABKMWYWQN-UHFFFAOYSA-N 0 3 430.553 -0.234 20 0 IBADHN COCCC(=O)N1CCC(NC(=O)C(=O)N2CCN(c3ccncc3OC)CC2)CC1 ZINC000516342430 1071933784 /nfs/dbraw/zinc/93/37/84/1071933784.db2.gz JOZAFOYHYKJSIA-UHFFFAOYSA-N 0 3 433.509 -0.118 20 0 IBADHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 ZINC000516421853 1071938353 /nfs/dbraw/zinc/93/83/53/1071938353.db2.gz YSLSVYMVFYSDHU-UHFFFAOYSA-N 0 3 447.536 -0.302 20 0 IBADHN CN(C)C[C@H](Cc1ccccc1)NC(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000516477674 1071941430 /nfs/dbraw/zinc/94/14/30/1071941430.db2.gz MOAPGSUUDJMWMT-INIZCTEOSA-N 0 3 438.488 -0.140 20 0 IBADHN CN(C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000516477675 1071941356 /nfs/dbraw/zinc/94/13/56/1071941356.db2.gz MOAPGSUUDJMWMT-MRXNPFEDSA-N 0 3 438.488 -0.140 20 0 IBADHN COC(=O)CNC(=O)[C@@H](C)N1CCCC2(CCCN([C@H](C)C(=O)NCC(=O)OC)C2)C1 ZINC000516688354 1071952537 /nfs/dbraw/zinc/95/25/37/1071952537.db2.gz CXYDDVBIDPSZHZ-BLRYKZMTSA-N 0 3 440.541 -0.480 20 0 IBADHN COC(=O)CNC(=O)[C@H](C)N1CCCC2(CCCN([C@@H](C)C(=O)NCC(=O)OC)C2)C1 ZINC000516688355 1071952611 /nfs/dbraw/zinc/95/26/11/1071952611.db2.gz CXYDDVBIDPSZHZ-MBFMUOJQSA-N 0 3 440.541 -0.480 20 0 IBADHN COC(=O)CNC(=O)[C@@H](C)N1CCC[C@@]2(CCCN([C@@H](C)C(=O)NCC(=O)OC)C2)C1 ZINC000516688356 1071952596 /nfs/dbraw/zinc/95/25/96/1071952596.db2.gz CXYDDVBIDPSZHZ-VWKPWSFCSA-N 0 3 440.541 -0.480 20 0 IBADHN CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)NCCCCN2CCN(C)CC2)c1 ZINC000516840773 1071963549 /nfs/dbraw/zinc/96/35/49/1071963549.db2.gz GAPQMHKGPXYLHE-UHFFFAOYSA-N 0 3 439.582 -0.190 20 0 IBADHN CN(CCCN1CCN(C)CC1)C(=O)C(=O)N[C@H]1CCCN(Cc2ccccn2)C1=O ZINC000516992351 1071969243 /nfs/dbraw/zinc/96/92/43/1071969243.db2.gz LFYDOQXDMRCELE-IBGZPJMESA-N 0 3 430.553 -0.215 20 0 IBADHN CN(CCCN1CCN(C)CC1)C(=O)C(=O)N[C@@H]1CCCN(Cc2ccccn2)C1=O ZINC000516992352 1071969386 /nfs/dbraw/zinc/96/93/86/1071969386.db2.gz LFYDOQXDMRCELE-LJQANCHMSA-N 0 3 430.553 -0.215 20 0 IBADHN C[C@H]1CCCN(CCNC(=O)C(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)C1 ZINC000517020576 1071970024 /nfs/dbraw/zinc/97/00/24/1071970024.db2.gz IYWCNMZOBGHJDE-KRWDZBQOSA-N 0 3 431.541 -0.520 20 0 IBADHN C[C@@H]1CCCN(CCNC(=O)C(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)C1 ZINC000517020577 1071969911 /nfs/dbraw/zinc/96/99/11/1071969911.db2.gz IYWCNMZOBGHJDE-QGZVFWFLSA-N 0 3 431.541 -0.520 20 0 IBADHN CCN1CCN(CCCNC(=O)c2cc(S(N)(=O)=O)ccc2N2CCOCC2)CC1 ZINC000517085892 1071973004 /nfs/dbraw/zinc/97/30/04/1071973004.db2.gz ZFEDIAHPKFMOFN-UHFFFAOYSA-N 0 3 439.582 -0.072 20 0 IBADHN C[C@@H](NC(=O)Cn1cc(Br)c(=O)[nH]c1=O)C(=O)NCCN1CCCCC1 ZINC000517184405 1071980428 /nfs/dbraw/zinc/98/04/28/1071980428.db2.gz JEVYJMQGFDYXTP-LLVKDONJSA-N 0 3 430.303 -0.182 20 0 IBADHN CNC(=O)COc1ccc(NC(=O)C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)cc1 ZINC000517185933 1071980520 /nfs/dbraw/zinc/98/05/20/1071980520.db2.gz OVQADIWNENPQQS-KRWDZBQOSA-N 0 3 433.509 -0.191 20 0 IBADHN CNC(=O)COc1ccc(NC(=O)C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)cc1 ZINC000517185934 1071980465 /nfs/dbraw/zinc/98/04/65/1071980465.db2.gz OVQADIWNENPQQS-QGZVFWFLSA-N 0 3 433.509 -0.191 20 0 IBADHN CC(C)N1CCN([C@@H]2CCN(C(=O)C(=O)N[C@H]3CCCN(c4ccnn4C)C3=O)C2)CC1 ZINC000517204054 1071982392 /nfs/dbraw/zinc/98/23/92/1071982392.db2.gz UTNUCZBLBGDJST-MSOLQXFVSA-N 0 3 445.568 -0.341 20 0 IBADHN CC(C)N1CCN([C@@H]2CCN(C(=O)C(=O)N[C@@H]3CCCN(c4ccnn4C)C3=O)C2)CC1 ZINC000517204055 1071982272 /nfs/dbraw/zinc/98/22/72/1071982272.db2.gz UTNUCZBLBGDJST-QZTJIDSGSA-N 0 3 445.568 -0.341 20 0 IBADHN CC(C)N1CCN([C@H]2CCN(C(=O)C(=O)N[C@H]3CCCN(c4ccnn4C)C3=O)C2)CC1 ZINC000517204056 1071982441 /nfs/dbraw/zinc/98/24/41/1071982441.db2.gz UTNUCZBLBGDJST-ROUUACIJSA-N 0 3 445.568 -0.341 20 0 IBADHN CC(C)N1CCN([C@H]2CCN(C(=O)C(=O)N[C@@H]3CCCN(c4ccnn4C)C3=O)C2)CC1 ZINC000517204057 1071982154 /nfs/dbraw/zinc/98/21/54/1071982154.db2.gz UTNUCZBLBGDJST-ZWKOTPCHSA-N 0 3 445.568 -0.341 20 0 IBADHN COc1ccc(C(=O)N2CCN(c3nc(NCCO)nc(NC(C)C)n3)CC2)cc1OC ZINC000517227723 1071982906 /nfs/dbraw/zinc/98/29/06/1071982906.db2.gz UPALZLNGZTUQPS-UHFFFAOYSA-N 0 3 445.524 -0.081 20 0 IBADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N[C@@H]2CCN(c3cc(C)nn3C)C2=O)CC1 ZINC000517256253 1071984198 /nfs/dbraw/zinc/98/41/98/1071984198.db2.gz NQMLMMSAZYJRTN-DOTOQJQBSA-N 0 3 433.557 -0.660 20 0 IBADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N[C@@H]2CCN(c3cc(C)nn3C)C2=O)CC1 ZINC000517256254 1071984081 /nfs/dbraw/zinc/98/40/81/1071984081.db2.gz NQMLMMSAZYJRTN-NVXWUHKLSA-N 0 3 433.557 -0.660 20 0 IBADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N[C@H]2CCN(c3cc(C)nn3C)C2=O)CC1 ZINC000517256255 1071984159 /nfs/dbraw/zinc/98/41/59/1071984159.db2.gz NQMLMMSAZYJRTN-RDJZCZTQSA-N 0 3 433.557 -0.660 20 0 IBADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N[C@H]2CCN(c3cc(C)nn3C)C2=O)CC1 ZINC000517256256 1071984100 /nfs/dbraw/zinc/98/41/00/1071984100.db2.gz NQMLMMSAZYJRTN-WBVHZDCISA-N 0 3 433.557 -0.660 20 0 IBADHN COCCN(CCN(C)C)C(=O)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000517305518 1071987300 /nfs/dbraw/zinc/98/73/00/1071987300.db2.gz HVHXYQFESYPWSI-UHFFFAOYSA-N 0 3 442.538 -0.317 20 0 IBADHN COCCN(CCN(C)C)C(=O)C(=O)N1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21 ZINC000517305685 1071987277 /nfs/dbraw/zinc/98/72/77/1071987277.db2.gz STROCTVONKWAGO-IBGZPJMESA-N 0 3 448.520 -0.324 20 0 IBADHN COCCN(CCN(C)C)C(=O)C(=O)N1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21 ZINC000517305688 1071987309 /nfs/dbraw/zinc/98/73/09/1071987309.db2.gz STROCTVONKWAGO-LJQANCHMSA-N 0 3 448.520 -0.324 20 0 IBADHN CSCC[C@H](NS(=O)(=O)c1ccccc1)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000517395982 1071992255 /nfs/dbraw/zinc/99/22/55/1071992255.db2.gz WYYNOYCLGUZNSC-BMFZPTHFSA-N 0 3 426.564 -0.143 20 0 IBADHN CSCC[C@H](NS(=O)(=O)c1ccccc1)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000517395983 1071992487 /nfs/dbraw/zinc/99/24/87/1071992487.db2.gz WYYNOYCLGUZNSC-BPUTZDHNSA-N 0 3 426.564 -0.143 20 0 IBADHN CSCC[C@H](NS(=O)(=O)c1ccccc1)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000517395984 1071992185 /nfs/dbraw/zinc/99/21/85/1071992185.db2.gz WYYNOYCLGUZNSC-IMJJTQAJSA-N 0 3 426.564 -0.143 20 0 IBADHN CSCC[C@H](NS(=O)(=O)c1ccccc1)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000517395985 1071992164 /nfs/dbraw/zinc/99/21/64/1071992164.db2.gz WYYNOYCLGUZNSC-KBMXLJTQSA-N 0 3 426.564 -0.143 20 0 IBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCc2cnn(CC(F)(F)F)c2)CC1 ZINC000517428485 1071994425 /nfs/dbraw/zinc/99/44/25/1071994425.db2.gz PEEBVIFHXNJLPY-AWEZNQCLSA-N 0 3 430.431 -0.173 20 0 IBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCc2cnn(CC(F)(F)F)c2)CC1 ZINC000517428493 1071994403 /nfs/dbraw/zinc/99/44/03/1071994403.db2.gz PEEBVIFHXNJLPY-CQSZACIVSA-N 0 3 430.431 -0.173 20 0 IBADHN CN(CCCN1CCN(C)CC1)C(=O)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000517688330 1072004378 /nfs/dbraw/zinc/00/43/78/1072004378.db2.gz XZSZCZRPMVCWAI-UHFFFAOYSA-N 0 3 437.566 -0.483 20 0 IBADHN Cc1c(NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)cccc1-n1cnnn1 ZINC000517754270 1072009405 /nfs/dbraw/zinc/00/94/05/1072009405.db2.gz HLWPXTOYCUCRRP-UHFFFAOYSA-N 0 3 426.481 -0.324 20 0 IBADHN CN(C)CCN(CCN(C)C)S(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000517826980 1072012855 /nfs/dbraw/zinc/01/28/55/1072012855.db2.gz OXWCJARCDOXZLE-UHFFFAOYSA-N 0 3 448.611 -0.179 20 0 IBADHN CNC(=O)CN1CCC(NC(=O)C(=O)Nc2cccc(CN3CCN(C)CC3)c2)CC1 ZINC000517850225 1072013923 /nfs/dbraw/zinc/01/39/23/1072013923.db2.gz XFCFJKBTCHLDIO-UHFFFAOYSA-N 0 3 430.553 -0.301 20 0 IBADHN COCCN(C)CCOc1cccc(CNC(=O)C(=O)N2CCC[C@H]3C(=O)NC[C@H]32)c1 ZINC000517907185 1072016373 /nfs/dbraw/zinc/01/63/73/1072016373.db2.gz UNZXYCZDYHTIFA-RTBURBONSA-N 0 3 432.521 -0.003 20 0 IBADHN C[C@H]1CN(C(=O)C(=O)NCc2ccnc(N3CCN(C)CC3)c2)CCN1CC(C)(C)O ZINC000517971979 1072018497 /nfs/dbraw/zinc/01/84/97/1072018497.db2.gz LNEZZIBKTQAKKH-KRWDZBQOSA-N 0 3 432.569 -0.247 20 0 IBADHN C[C@@H]1CN(C(=O)C(=O)NCc2ccnc(N3CCN(C)CC3)c2)CCN1CC(C)(C)O ZINC000517971980 1072018681 /nfs/dbraw/zinc/01/86/81/1072018681.db2.gz LNEZZIBKTQAKKH-QGZVFWFLSA-N 0 3 432.569 -0.247 20 0 IBADHN Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NC[C@]3(O)CN4CCC3CC4)CC2)cc1 ZINC000517977426 1072018723 /nfs/dbraw/zinc/01/87/23/1072018723.db2.gz KAEDGPHYNKXGHN-NRFANRHFSA-N 0 3 436.578 -0.126 20 0 IBADHN Cc1ccc(S(=O)(=O)N2CCN(CC(=O)NC[C@@]3(O)CN4CCC3CC4)CC2)cc1 ZINC000517977430 1072018588 /nfs/dbraw/zinc/01/85/88/1072018588.db2.gz KAEDGPHYNKXGHN-OAQYLSRUSA-N 0 3 436.578 -0.126 20 0 IBADHN COCC(=O)N1CCN(C(=O)C(=O)Nc2cccc(CN3CCC(C(N)=O)CC3)c2)CC1 ZINC000518100648 1072027810 /nfs/dbraw/zinc/02/78/10/1072027810.db2.gz PCESHKXISYFYLI-UHFFFAOYSA-N 0 3 445.520 -0.360 20 0 IBADHN COC1CCN(C(C)(C)CNC(=O)C(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)CC1 ZINC000518104162 1072028484 /nfs/dbraw/zinc/02/84/84/1072028484.db2.gz XCQCULCRBHIHSY-UHFFFAOYSA-N 0 3 446.508 -0.424 20 0 IBADHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CCN(C(=O)C(=O)NC(C)C)CC1 ZINC000518137856 1072030112 /nfs/dbraw/zinc/03/01/12/1072030112.db2.gz DADRVCXXRPMOCF-UHFFFAOYSA-N 0 3 433.509 -0.109 20 0 IBADHN CN(C)Cc1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)c1 ZINC000518138340 1072030227 /nfs/dbraw/zinc/03/02/27/1072030227.db2.gz LZOYSLRHMWSROO-UHFFFAOYSA-N 0 3 439.538 -0.592 20 0 IBADHN N[C@H]1C[C@H]2CN(S(=O)(=O)c3cccc(S(=O)(=O)N4CCCC4)c3)CCN2C1=O ZINC000518218895 1072038165 /nfs/dbraw/zinc/03/81/65/1072038165.db2.gz UDESZWXVGAHYEI-BBRMVZONSA-N 0 3 428.536 -0.596 20 0 IBADHN N[C@H]1C[C@@H]2CN(S(=O)(=O)c3cccc(S(=O)(=O)N4CCCC4)c3)CCN2C1=O ZINC000518218896 1072038219 /nfs/dbraw/zinc/03/82/19/1072038219.db2.gz UDESZWXVGAHYEI-CJNGLKHVSA-N 0 3 428.536 -0.596 20 0 IBADHN N[C@@H]1C[C@@H]2CN(S(=O)(=O)c3cccc(S(=O)(=O)N4CCCC4)c3)CCN2C1=O ZINC000518218897 1072038399 /nfs/dbraw/zinc/03/83/99/1072038399.db2.gz UDESZWXVGAHYEI-CZUORRHYSA-N 0 3 428.536 -0.596 20 0 IBADHN N[C@@H]1C[C@H]2CN(S(=O)(=O)c3cccc(S(=O)(=O)N4CCCC4)c3)CCN2C1=O ZINC000518218898 1072038461 /nfs/dbraw/zinc/03/84/61/1072038461.db2.gz UDESZWXVGAHYEI-XJKSGUPXSA-N 0 3 428.536 -0.596 20 0 IBADHN CC(C)Nc1nc(NCCO)nc(N[C@@H]2CCCN(S(=O)(=O)c3cccs3)C2)n1 ZINC000518247249 1072041544 /nfs/dbraw/zinc/04/15/44/1072041544.db2.gz QQBORTMBQDNABE-CYBMUJFWSA-N 0 3 441.583 -0.312 20 0 IBADHN O=C(CN1CCCC1)N1CCN(C(=O)c2ccc3c(c2)S(=O)(=O)N=C2NC=NN23)CC1 ZINC000518322828 1072047197 /nfs/dbraw/zinc/04/71/97/1072047197.db2.gz ZNICGWHYUHCYNL-UHFFFAOYSA-N 0 3 445.505 -0.522 20 0 IBADHN COc1ccc(NC(=O)CN2CCN3C(=O)[C@@H](N)C[C@H]3C2)cc1S(=O)(=O)N(C)C ZINC000518398380 1072052412 /nfs/dbraw/zinc/05/24/12/1072052412.db2.gz QOCRLMHKBIJAJH-KBPBESRZSA-N 0 3 425.511 -0.872 20 0 IBADHN COc1ccc(NC(=O)CN2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cc1S(=O)(=O)N(C)C ZINC000518398381 1072052420 /nfs/dbraw/zinc/05/24/20/1072052420.db2.gz QOCRLMHKBIJAJH-KGLIPLIRSA-N 0 3 425.511 -0.872 20 0 IBADHN COc1ccc(NC(=O)CN2CCN3C(=O)[C@H](N)C[C@H]3C2)cc1S(=O)(=O)N(C)C ZINC000518398382 1072052349 /nfs/dbraw/zinc/05/23/49/1072052349.db2.gz QOCRLMHKBIJAJH-UONOGXRCSA-N 0 3 425.511 -0.872 20 0 IBADHN COc1ccc(NC(=O)CN2CCN3C(=O)[C@H](N)C[C@@H]3C2)cc1S(=O)(=O)N(C)C ZINC000518398383 1072052382 /nfs/dbraw/zinc/05/23/82/1072052382.db2.gz QOCRLMHKBIJAJH-ZIAGYGMSSA-N 0 3 425.511 -0.872 20 0 IBADHN O=C(CCN1CCN(C(=O)[C@@H]2CCCO2)CC1)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000518417989 1072056291 /nfs/dbraw/zinc/05/62/91/1072056291.db2.gz NZNHMTJCZQBRRT-IBGZPJMESA-N 0 3 435.569 -0.534 20 0 IBADHN O=C(CCN1CCN(C(=O)[C@H]2CCCO2)CC1)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000518417990 1072056505 /nfs/dbraw/zinc/05/65/05/1072056505.db2.gz NZNHMTJCZQBRRT-LJQANCHMSA-N 0 3 435.569 -0.534 20 0 IBADHN O=C(CCCN1CCN(c2ccccc2)CC1)N1CCN(C(=O)Cn2cnnn2)CC1 ZINC000518441366 1072060052 /nfs/dbraw/zinc/06/00/52/1072060052.db2.gz DXHHOOASKIAYNP-UHFFFAOYSA-N 0 3 426.525 -0.054 20 0 IBADHN COCCN(CCN(C)C)C(=O)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N(C)C ZINC000518477384 1072062485 /nfs/dbraw/zinc/06/24/85/1072062485.db2.gz LYOOBTSXHAQXPQ-UHFFFAOYSA-N 0 3 443.570 -0.022 20 0 IBADHN CN(CC(=O)N(C)C1CCN(CC(=O)N2CCN(C)CC2)CC1)c1ncnc2nc[nH]c21 ZINC000518498824 1072064571 /nfs/dbraw/zinc/06/45/71/1072064571.db2.gz UBSZDZBHFVNIFH-UHFFFAOYSA-N 0 3 443.556 -0.514 20 0 IBADHN CN(Cc1ccc2c(c1)OCCO2)C(=O)C(=O)NCCCCN1CCN(CCO)CC1 ZINC000518589129 1072070626 /nfs/dbraw/zinc/07/06/26/1072070626.db2.gz SDXVUPKOEOMWSX-UHFFFAOYSA-N 0 3 434.537 -0.078 20 0 IBADHN CCCn1c(N)c(N(CCOC)C(=O)CCC(=O)N2CCCN(C)CC2)c(=O)[nH]c1=O ZINC000518725385 1072083023 /nfs/dbraw/zinc/08/30/23/1072083023.db2.gz NQJLCKRLSYBPOK-UHFFFAOYSA-N 0 3 438.529 -0.135 20 0 IBADHN COCCN1CCC(NC(=O)N2CCN(S(=O)(=O)N3C[C@@H](C)O[C@@H](C)C3)CC2)CC1 ZINC000518880343 1072091246 /nfs/dbraw/zinc/09/12/46/1072091246.db2.gz VMJHHBOOAYTFRQ-CALCHBBNSA-N 0 3 447.602 -0.222 20 0 IBADHN COCCN1CCC(NC(=O)N2CCN(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)CC2)CC1 ZINC000518880344 1072091104 /nfs/dbraw/zinc/09/11/04/1072091104.db2.gz VMJHHBOOAYTFRQ-IAGOWNOFSA-N 0 3 447.602 -0.222 20 0 IBADHN COCCN1CCC(NC(=O)N2CCN(S(=O)(=O)N3C[C@H](C)O[C@@H](C)C3)CC2)CC1 ZINC000518880345 1072091705 /nfs/dbraw/zinc/09/17/05/1072091705.db2.gz VMJHHBOOAYTFRQ-IRXDYDNUSA-N 0 3 447.602 -0.222 20 0 IBADHN CCNC(=O)CN1CCN(C(=O)C(=O)NCc2ccccc2CN2CCC(O)CC2)CC1 ZINC000519021069 1072103424 /nfs/dbraw/zinc/10/34/24/1072103424.db2.gz ANOFAEDLFSGBPR-UHFFFAOYSA-N 0 3 445.564 -0.460 20 0 IBADHN CC(C)Nc1nc(NCCO)nc(NCC(=O)N2CCN(c3ccc(Cl)cc3)CC2)n1 ZINC000519041928 1072105059 /nfs/dbraw/zinc/10/50/59/1072105059.db2.gz NAVCBIVZQITISG-UHFFFAOYSA-N 0 3 448.959 -0.224 20 0 IBADHN C[C@H](CN1CCN(C)CC1)NC(=O)c1cncc(C(=O)N[C@@H](C)CN2CCN(C)CC2)c1 ZINC000519348399 1072129973 /nfs/dbraw/zinc/12/99/73/1072129973.db2.gz IVOPEKOESVSEIK-KDURUIRLSA-N 0 3 445.612 -0.187 20 0 IBADHN C[C@@H](CN1CCN(C)CC1)NC(=O)c1cncc(C(=O)N[C@@H](C)CN2CCN(C)CC2)c1 ZINC000519348403 1072129945 /nfs/dbraw/zinc/12/99/45/1072129945.db2.gz IVOPEKOESVSEIK-OALUTQOASA-N 0 3 445.612 -0.187 20 0 IBADHN C[C@H](CN1CCN(C)CC1)NC(=O)c1cncc(C(=O)N[C@H](C)CN2CCN(C)CC2)c1 ZINC000519348404 1072129962 /nfs/dbraw/zinc/12/99/62/1072129962.db2.gz IVOPEKOESVSEIK-RTBURBONSA-N 0 3 445.612 -0.187 20 0 IBADHN C[C@H](CN1CCN(C)CC1)NC(=O)c1cccc(C(=O)N[C@@H](C)CN2CCN(C)CC2)n1 ZINC000519348785 1072129307 /nfs/dbraw/zinc/12/93/07/1072129307.db2.gz UOKWVBRCNWEYDN-KDURUIRLSA-N 0 3 445.612 -0.187 20 0 IBADHN C[C@@H](CN1CCN(C)CC1)NC(=O)c1cccc(C(=O)N[C@@H](C)CN2CCN(C)CC2)n1 ZINC000519348786 1072129388 /nfs/dbraw/zinc/12/93/88/1072129388.db2.gz UOKWVBRCNWEYDN-OALUTQOASA-N 0 3 445.612 -0.187 20 0 IBADHN C[C@H](CN1CCN(C)CC1)NC(=O)c1cccc(C(=O)N[C@H](C)CN2CCN(C)CC2)n1 ZINC000519348787 1072129399 /nfs/dbraw/zinc/12/93/99/1072129399.db2.gz UOKWVBRCNWEYDN-RTBURBONSA-N 0 3 445.612 -0.187 20 0 IBADHN COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000519545196 1072147810 /nfs/dbraw/zinc/14/78/10/1072147810.db2.gz HXFFBBCCZOBQQY-BBRMVZONSA-N 0 3 438.506 -0.900 20 0 IBADHN COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000519545269 1072147431 /nfs/dbraw/zinc/14/74/31/1072147431.db2.gz HXFFBBCCZOBQQY-CJNGLKHVSA-N 0 3 438.506 -0.900 20 0 IBADHN COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000519545273 1072147452 /nfs/dbraw/zinc/14/74/52/1072147452.db2.gz HXFFBBCCZOBQQY-CZUORRHYSA-N 0 3 438.506 -0.900 20 0 IBADHN COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000519545279 1072147874 /nfs/dbraw/zinc/14/78/74/1072147874.db2.gz HXFFBBCCZOBQQY-XJKSGUPXSA-N 0 3 438.506 -0.900 20 0 IBADHN COc1ccc(CCN2C[C@H](C(=O)N3CCN4C(=O)[C@H](N)C[C@@H]4C3)CC2=O)cc1OC ZINC000519611484 1072214607 /nfs/dbraw/zinc/21/46/07/1072214607.db2.gz KKYYUXYFHHDKQR-BRWVUGGUSA-N 0 3 430.505 -0.135 20 0 IBADHN COc1ccc(CCN2C[C@H](C(=O)N3CCN4C(=O)[C@@H](N)C[C@H]4C3)CC2=O)cc1OC ZINC000519611497 1072214650 /nfs/dbraw/zinc/21/46/50/1072214650.db2.gz KKYYUXYFHHDKQR-IKGGRYGDSA-N 0 3 430.505 -0.135 20 0 IBADHN COc1ccc(CCN2C[C@H](C(=O)N3CCN4C(=O)[C@H](N)C[C@H]4C3)CC2=O)cc1OC ZINC000519611500 1072214636 /nfs/dbraw/zinc/21/46/36/1072214636.db2.gz KKYYUXYFHHDKQR-IXDOHACOSA-N 0 3 430.505 -0.135 20 0 IBADHN COc1ccc(CCN2C[C@H](C(=O)N3CCN4C(=O)[C@@H](N)C[C@@H]4C3)CC2=O)cc1OC ZINC000519611509 1072214494 /nfs/dbraw/zinc/21/44/94/1072214494.db2.gz KKYYUXYFHHDKQR-ZACQAIPSSA-N 0 3 430.505 -0.135 20 0 IBADHN COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](C)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000519614230 1072220080 /nfs/dbraw/zinc/22/00/80/1072220080.db2.gz MDDKIWZVFWNCOY-GUTXKFCHSA-N 0 3 439.538 -0.484 20 0 IBADHN COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](C)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000519614234 1072220283 /nfs/dbraw/zinc/22/02/83/1072220283.db2.gz MDDKIWZVFWNCOY-GZBFAFLISA-N 0 3 439.538 -0.484 20 0 IBADHN COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](C)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000519614238 1072220138 /nfs/dbraw/zinc/22/01/38/1072220138.db2.gz MDDKIWZVFWNCOY-KCQAQPDRSA-N 0 3 439.538 -0.484 20 0 IBADHN COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](C)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000519614242 1072220227 /nfs/dbraw/zinc/22/02/27/1072220227.db2.gz MDDKIWZVFWNCOY-YDHLFZDLSA-N 0 3 439.538 -0.484 20 0 IBADHN COCCN1CCC[C@H]1CNC(=O)C(=O)N1CCC(CC(=O)N2CCN(C)CC2)CC1 ZINC000519731994 1072230738 /nfs/dbraw/zinc/23/07/38/1072230738.db2.gz YMQJLKMXRPGTLV-IBGZPJMESA-N 0 3 437.585 -0.384 20 0 IBADHN COCCN1CCC[C@@H]1CNC(=O)C(=O)N1CCC(CC(=O)N2CCN(C)CC2)CC1 ZINC000519731997 1072230859 /nfs/dbraw/zinc/23/08/59/1072230859.db2.gz YMQJLKMXRPGTLV-LJQANCHMSA-N 0 3 437.585 -0.384 20 0 IBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NC2CCN(c3cccnn3)CC2)CC1 ZINC000519784142 1072232098 /nfs/dbraw/zinc/23/20/98/1072232098.db2.gz BBPKIOUWVOGESC-KRWDZBQOSA-N 0 3 429.525 -0.673 20 0 IBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NC2CCN(c3cccnn3)CC2)CC1 ZINC000519784175 1072232032 /nfs/dbraw/zinc/23/20/32/1072232032.db2.gz BBPKIOUWVOGESC-QGZVFWFLSA-N 0 3 429.525 -0.673 20 0 IBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCc2ccnc(N3CCOCC3)c2)CC1 ZINC000519838053 1072234124 /nfs/dbraw/zinc/23/41/24/1072234124.db2.gz FYFICXWQHBBMIZ-GOSISDBHSA-N 0 3 444.536 -0.701 20 0 IBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCc2ccnc(N3CCOCC3)c2)CC1 ZINC000519838055 1072234044 /nfs/dbraw/zinc/23/40/44/1072234044.db2.gz FYFICXWQHBBMIZ-SFHVURJKSA-N 0 3 444.536 -0.701 20 0 IBADHN CN(C)C(=O)CN1CCC(NC(=O)NCCCN2CCN(c3ncccn3)CC2)CC1 ZINC000520265124 1072263908 /nfs/dbraw/zinc/26/39/08/1072263908.db2.gz MCYNUALSHQBYLS-UHFFFAOYSA-N 0 3 432.573 -0.160 20 0 IBADHN CCOC(=O)CCN(C[C@@H]1CCCN1CC)S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000520400968 1072272654 /nfs/dbraw/zinc/27/26/54/1072272654.db2.gz BQZKRJSBJQVJHX-AWEZNQCLSA-N 0 3 430.527 -0.488 20 0 IBADHN CCOC(=O)CCN(C[C@H]1CCCN1CC)S(=O)(=O)c1cn(C)c(=O)n(C)c1=O ZINC000520400971 1072272419 /nfs/dbraw/zinc/27/24/19/1072272419.db2.gz BQZKRJSBJQVJHX-CQSZACIVSA-N 0 3 430.527 -0.488 20 0 IBADHN COC(=O)[C@H]1CN(C(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)c2ccccc2O1 ZINC000520449044 1072287418 /nfs/dbraw/zinc/28/74/18/1072287418.db2.gz QYHVILBOLUCVRY-GOSISDBHSA-N 0 3 444.488 -0.280 20 0 IBADHN COC(=O)[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)c2ccccc2O1 ZINC000520449045 1072287354 /nfs/dbraw/zinc/28/73/54/1072287354.db2.gz QYHVILBOLUCVRY-SFHVURJKSA-N 0 3 444.488 -0.280 20 0 IBADHN CCN1CCN(Cc2ccccc2CNS(=O)(=O)N2CCS(=O)(=O)CC2)CC1 ZINC000520518094 1072296819 /nfs/dbraw/zinc/29/68/19/1072296819.db2.gz NBWZQOQVAGLNTL-UHFFFAOYSA-N 0 3 430.596 -0.111 20 0 IBADHN CC(C)Nc1nc(NCCO)nc(N2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)n1 ZINC000520619108 1072306494 /nfs/dbraw/zinc/30/64/94/1072306494.db2.gz JHALHLYNLKPLLU-HNNXBMFYSA-N 0 3 427.575 -0.229 20 0 IBADHN CC(C)Nc1nc(NCCO)nc(N2CCC[C@@H](S(=O)(=O)NC3CCCC3)C2)n1 ZINC000520619109 1072306343 /nfs/dbraw/zinc/30/63/43/1072306343.db2.gz JHALHLYNLKPLLU-OAHLLOKOSA-N 0 3 427.575 -0.229 20 0 IBADHN COCCN(C)CCN1C[C@@H](NC(=O)c2cc(S(=O)(=O)N(C)C)oc2C)CC1=O ZINC000520645934 1072310026 /nfs/dbraw/zinc/31/00/26/1072310026.db2.gz ZDAMYXPZBWZJOJ-AWEZNQCLSA-N 0 3 430.527 -0.253 20 0 IBADHN COCCN(C)CCN1C[C@H](NC(=O)c2cc(S(=O)(=O)N(C)C)oc2C)CC1=O ZINC000520645942 1072310094 /nfs/dbraw/zinc/31/00/94/1072310094.db2.gz ZDAMYXPZBWZJOJ-CQSZACIVSA-N 0 3 430.527 -0.253 20 0 IBADHN COCCN(CCN(C)C)C(=O)C(=O)Nc1cccc(N2CCS(=O)(=O)CC2)c1 ZINC000520655974 1072312395 /nfs/dbraw/zinc/31/23/95/1072312395.db2.gz PBOLWIIOCCDSNV-UHFFFAOYSA-N 0 3 426.539 -0.104 20 0 IBADHN COCCN(CCN(C)C)C(=O)C(=O)Nc1ccc(CC(=O)N2CCN(C)CC2)cc1 ZINC000520656889 1072312272 /nfs/dbraw/zinc/31/22/72/1072312272.db2.gz AQNWISXIFCCTEH-UHFFFAOYSA-N 0 3 433.553 -0.022 20 0 IBADHN CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)NC[C@H](C)CN2CCN(C)CC2)cc1 ZINC000520669342 1072313975 /nfs/dbraw/zinc/31/39/75/1072313975.db2.gz PBGCMSYPGZTJGX-HNNXBMFYSA-N 0 3 425.555 -0.077 20 0 IBADHN CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)NC[C@@H](C)CN2CCN(C)CC2)cc1 ZINC000520669343 1072314044 /nfs/dbraw/zinc/31/40/44/1072314044.db2.gz PBGCMSYPGZTJGX-OAHLLOKOSA-N 0 3 425.555 -0.077 20 0 IBADHN CN(CCN1CCN(C(=O)CNS(=O)(=O)c2cnn(C)c2)CC1)Cc1ccccc1 ZINC000521488786 1072449553 /nfs/dbraw/zinc/44/95/53/1072449553.db2.gz YBNFAGVLHMWGAJ-UHFFFAOYSA-N 0 3 434.566 -0.025 20 0 IBADHN CN1CCN(CCNC(=O)C(=O)Nc2ccc(CN3C(=O)CNC3=O)cc2)CC1(C)C ZINC000521763732 1072465078 /nfs/dbraw/zinc/46/50/78/1072465078.db2.gz SUUACUBMQMZFHE-UHFFFAOYSA-N 0 3 430.509 -0.181 20 0 IBADHN CCN(CC)CC(=O)N1CCN(C(=O)CCN2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 ZINC000521994122 1072485040 /nfs/dbraw/zinc/48/50/40/1072485040.db2.gz KHCYJUVARHUSEL-IBGZPJMESA-N 0 3 437.585 -0.288 20 0 IBADHN CCN(CC)CC(=O)N1CCN(C(=O)CCN2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 ZINC000521994123 1072485003 /nfs/dbraw/zinc/48/50/03/1072485003.db2.gz KHCYJUVARHUSEL-LJQANCHMSA-N 0 3 437.585 -0.288 20 0 IBADHN NC(=O)c1cc(CNC(=O)C(=O)NCCCN2CCN(Cc3ccccc3)CC2)on1 ZINC000522019071 1072488191 /nfs/dbraw/zinc/48/81/91/1072488191.db2.gz QWCLZMQWDCRNBF-UHFFFAOYSA-N 0 3 428.493 -0.286 20 0 IBADHN CCN1CCN(C(=O)CC2CCN(CC(=O)NCCCN(C)S(C)(=O)=O)CC2)CC1 ZINC000522162899 1072498540 /nfs/dbraw/zinc/49/85/40/1072498540.db2.gz FRGMVHHUKSDNQF-UHFFFAOYSA-N 0 3 445.630 -0.350 20 0 IBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1CCN(c2ccc(C(N)=O)cn2)CC1 ZINC000522445071 1072537265 /nfs/dbraw/zinc/53/72/65/1072537265.db2.gz SLVUEMVUECOFPL-KRWDZBQOSA-N 0 3 431.541 -0.045 20 0 IBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N1CCN(c2ccc(C(N)=O)cn2)CC1 ZINC000522445072 1072537528 /nfs/dbraw/zinc/53/75/28/1072537528.db2.gz SLVUEMVUECOFPL-QGZVFWFLSA-N 0 3 431.541 -0.045 20 0 IBADHN Cc1nnnn1-c1cccc(NC(=O)C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)c1 ZINC000522499989 1072553252 /nfs/dbraw/zinc/55/32/52/1072553252.db2.gz OYEKMIRZLHEABD-KRWDZBQOSA-N 0 3 428.497 -0.032 20 0 IBADHN Cc1nnnn1-c1cccc(NC(=O)C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)c1 ZINC000522499990 1072553174 /nfs/dbraw/zinc/55/31/74/1072553174.db2.gz OYEKMIRZLHEABD-QGZVFWFLSA-N 0 3 428.497 -0.032 20 0 IBADHN O=C(C(=O)N1CCN(C(=O)[C@H]2CCCN(Cc3cccnc3)C2)CC1)N1CCOCC1 ZINC000522834265 1072577310 /nfs/dbraw/zinc/57/73/10/1072577310.db2.gz YNYJNQYUQUYESH-IBGZPJMESA-N 0 3 429.521 -0.177 20 0 IBADHN O=C(C(=O)N1CCN(C(=O)[C@@H]2CCCN(Cc3cccnc3)C2)CC1)N1CCOCC1 ZINC000522834266 1072578167 /nfs/dbraw/zinc/57/81/67/1072578167.db2.gz YNYJNQYUQUYESH-LJQANCHMSA-N 0 3 429.521 -0.177 20 0 IBADHN CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)NC(=O)N[C@@H]2CCN(CCOC)C2)c1 ZINC000522974287 1072589228 /nfs/dbraw/zinc/58/92/28/1072589228.db2.gz HAMCRFOVLRWAOQ-DZGCQCFKSA-N 0 3 427.527 -0.058 20 0 IBADHN CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)NC(=O)N[C@H]2CCN(CCOC)C2)c1 ZINC000522974288 1072589450 /nfs/dbraw/zinc/58/94/50/1072589450.db2.gz HAMCRFOVLRWAOQ-HIFRSBDPSA-N 0 3 427.527 -0.058 20 0 IBADHN CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)NC(=O)N[C@@H]2CCN(CCOC)C2)c1 ZINC000522974289 1072589471 /nfs/dbraw/zinc/58/94/71/1072589471.db2.gz HAMCRFOVLRWAOQ-UKRRQHHQSA-N 0 3 427.527 -0.058 20 0 IBADHN CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)NC(=O)N[C@H]2CCN(CCOC)C2)c1 ZINC000522974290 1072589958 /nfs/dbraw/zinc/58/99/58/1072589958.db2.gz HAMCRFOVLRWAOQ-ZFWWWQNUSA-N 0 3 427.527 -0.058 20 0 IBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)Nc2cccc(S(N)(=O)=O)c2)CC1 ZINC000523040888 1072613069 /nfs/dbraw/zinc/61/30/69/1072613069.db2.gz HCCKAOSXYFDPPM-UHFFFAOYSA-N 0 3 425.511 -0.715 20 0 IBADHN CCc1ccc(NC(=O)C(=O)NCCCN2CCN(CC)CC2)cc1S(N)(=O)=O ZINC000523052534 1072616663 /nfs/dbraw/zinc/61/66/63/1072616663.db2.gz SYQSOEJELUYNLY-UHFFFAOYSA-N 0 3 425.555 -0.021 20 0 IBADHN CN(C)CCN(CC(=O)OC(C)(C)C)C(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000523093755 1072621998 /nfs/dbraw/zinc/62/19/98/1072621998.db2.gz MZMTZFNYOGBBCN-CABCVRRESA-N 0 3 431.555 -0.246 20 0 IBADHN CN(C)CCN(CC(=O)OC(C)(C)C)C(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000523093756 1072622064 /nfs/dbraw/zinc/62/20/64/1072622064.db2.gz MZMTZFNYOGBBCN-GJZGRUSLSA-N 0 3 431.555 -0.246 20 0 IBADHN CN(C)CCN(CC(=O)OC(C)(C)C)C(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000523093757 1072622041 /nfs/dbraw/zinc/62/20/41/1072622041.db2.gz MZMTZFNYOGBBCN-HUUCEWRRSA-N 0 3 431.555 -0.246 20 0 IBADHN CN(C)CCN(CC(=O)OC(C)(C)C)C(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000523093758 1072622202 /nfs/dbraw/zinc/62/22/02/1072622202.db2.gz MZMTZFNYOGBBCN-LSDHHAIUSA-N 0 3 431.555 -0.246 20 0 IBADHN Cc1cc(C(=O)N2CCN(C(=O)CN3CCCC3)CC2)nc2c1c(=O)n(C)c(=O)n2C ZINC000523151176 1072634761 /nfs/dbraw/zinc/63/47/61/1072634761.db2.gz SCIRJNJSAUSVCL-UHFFFAOYSA-N 0 3 428.493 -0.679 20 0 IBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)Nc1ccc(S(C)(=O)=O)nc1 ZINC000523236381 1072646858 /nfs/dbraw/zinc/64/68/58/1072646858.db2.gz MZMQYYUDGZQZBR-AWEZNQCLSA-N 0 3 425.511 -0.518 20 0 IBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)Nc1ccc(S(C)(=O)=O)nc1 ZINC000523236382 1072646825 /nfs/dbraw/zinc/64/68/25/1072646825.db2.gz MZMQYYUDGZQZBR-CQSZACIVSA-N 0 3 425.511 -0.518 20 0 IBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)Nc1cccnc1N1CCOCC1 ZINC000523236599 1072646892 /nfs/dbraw/zinc/64/68/92/1072646892.db2.gz WTPOOVJXOVRFSR-KRWDZBQOSA-N 0 3 432.525 -0.084 20 0 IBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)Nc1cccnc1N1CCOCC1 ZINC000523236600 1072646779 /nfs/dbraw/zinc/64/67/79/1072646779.db2.gz WTPOOVJXOVRFSR-QGZVFWFLSA-N 0 3 432.525 -0.084 20 0 IBADHN CCS(=O)(=O)NCCNC(=O)C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1 ZINC000523249358 1072646717 /nfs/dbraw/zinc/64/67/17/1072646717.db2.gz KVRQPSMISHVIIE-UHFFFAOYSA-N 0 3 427.483 -0.850 20 0 IBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NCCN1CCN(c2ncccn2)CC1 ZINC000523628244 1072665838 /nfs/dbraw/zinc/66/58/38/1072665838.db2.gz YSUTUVVLKUBLBU-GOSISDBHSA-N 0 3 432.573 -0.160 20 0 IBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NCCN1CCN(c2ncccn2)CC1 ZINC000523628245 1072665689 /nfs/dbraw/zinc/66/56/89/1072665689.db2.gz YSUTUVVLKUBLBU-SFHVURJKSA-N 0 3 432.573 -0.160 20 0 IBADHN CN(C)CCN(CC(=O)OC(C)(C)C)C(=O)CCn1cnc2c1c(=O)n(C)c(=O)n2C ZINC000523749462 1072679599 /nfs/dbraw/zinc/67/95/99/1072679599.db2.gz SEYDMWMWYCRHDW-UHFFFAOYSA-N 0 3 436.513 -0.444 20 0 IBADHN CNC(=O)[C@@H]1CN(C(=O)C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)c2ccccc2O1 ZINC000523968893 1072689624 /nfs/dbraw/zinc/68/96/24/1072689624.db2.gz PCTNFIZQKOCUNZ-AEFFLSMTSA-N 0 3 445.520 -0.415 20 0 IBADHN CNC(=O)[C@H]1CN(C(=O)C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)c2ccccc2O1 ZINC000523968894 1072689824 /nfs/dbraw/zinc/68/98/24/1072689824.db2.gz PCTNFIZQKOCUNZ-FUHWJXTLSA-N 0 3 445.520 -0.415 20 0 IBADHN CNC(=O)[C@H]1CN(C(=O)C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)c2ccccc2O1 ZINC000523968895 1072689656 /nfs/dbraw/zinc/68/96/56/1072689656.db2.gz PCTNFIZQKOCUNZ-SJLPKXTDSA-N 0 3 445.520 -0.415 20 0 IBADHN CNC(=O)[C@@H]1CN(C(=O)C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)c2ccccc2O1 ZINC000523968896 1072689592 /nfs/dbraw/zinc/68/95/92/1072689592.db2.gz PCTNFIZQKOCUNZ-WMZOPIPTSA-N 0 3 445.520 -0.415 20 0 IBADHN Cc1ccc(NC(=O)C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)cc1-n1cnnn1 ZINC000523969079 1072689681 /nfs/dbraw/zinc/68/96/81/1072689681.db2.gz WSCJKWNDAOWJRH-INIZCTEOSA-N 0 3 428.497 -0.032 20 0 IBADHN Cc1ccc(NC(=O)C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)cc1-n1cnnn1 ZINC000523969080 1072689773 /nfs/dbraw/zinc/68/97/73/1072689773.db2.gz WSCJKWNDAOWJRH-MRXNPFEDSA-N 0 3 428.497 -0.032 20 0 IBADHN CNS(=O)(=O)c1cccc(NC(=O)C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)c1 ZINC000523969804 1072689742 /nfs/dbraw/zinc/68/97/42/1072689742.db2.gz FLZYCVMRPKWNAC-INIZCTEOSA-N 0 3 439.538 -0.408 20 0 IBADHN CNS(=O)(=O)c1cccc(NC(=O)C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)c1 ZINC000523969805 1072689790 /nfs/dbraw/zinc/68/97/90/1072689790.db2.gz FLZYCVMRPKWNAC-MRXNPFEDSA-N 0 3 439.538 -0.408 20 0 IBADHN COCCN(C)CCNC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3)CC1 ZINC000524037346 1072692968 /nfs/dbraw/zinc/69/29/68/1072692968.db2.gz UNRBTCHQTZJFEW-UHFFFAOYSA-N 0 3 439.538 -0.225 20 0 IBADHN Cc1nc(S(=O)(=O)NCCC(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)cn1C ZINC000524134085 1072697102 /nfs/dbraw/zinc/69/71/02/1072697102.db2.gz KWGRWCXWFPMGFX-HNNXBMFYSA-N 0 3 428.559 -0.544 20 0 IBADHN Cc1nc(S(=O)(=O)NCCC(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)cn1C ZINC000524134086 1072697171 /nfs/dbraw/zinc/69/71/71/1072697171.db2.gz KWGRWCXWFPMGFX-OAHLLOKOSA-N 0 3 428.559 -0.544 20 0 IBADHN C[C@@H]1CN(CC2CCN(C(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)CC2)C[C@H](C)O1 ZINC000524160314 1072697522 /nfs/dbraw/zinc/69/75/22/1072697522.db2.gz RTIOQURSKXKYFO-GASCZTMLSA-N 0 3 432.525 -0.219 20 0 IBADHN C[C@H]1CN(CC2CCN(C(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)CC2)C[C@H](C)O1 ZINC000524160315 1072697612 /nfs/dbraw/zinc/69/76/12/1072697612.db2.gz RTIOQURSKXKYFO-GJZGRUSLSA-N 0 3 432.525 -0.219 20 0 IBADHN C[C@@H]1CN(CC2CCN(C(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)CC2)C[C@@H](C)O1 ZINC000524160316 1072697622 /nfs/dbraw/zinc/69/76/22/1072697622.db2.gz RTIOQURSKXKYFO-HUUCEWRRSA-N 0 3 432.525 -0.219 20 0 IBADHN COCCN(C)CCNC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000524233500 1072700003 /nfs/dbraw/zinc/70/00/03/1072700003.db2.gz DXAWCMFOTXYZKW-UHFFFAOYSA-N 0 3 440.566 -0.006 20 0 IBADHN COCCN(C)CCNC(=O)Cc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 ZINC000524276041 1072700915 /nfs/dbraw/zinc/70/09/15/1072700915.db2.gz NPHOKZZKLIQEJC-UHFFFAOYSA-N 0 3 429.539 -0.047 20 0 IBADHN COCCN1CCC[C@H]1CNC(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000524349847 1072705559 /nfs/dbraw/zinc/70/55/59/1072705559.db2.gz GUIUEIBQRYWVCN-INIZCTEOSA-N 0 3 426.539 -0.106 20 0 IBADHN COCCN1CCC[C@@H]1CNC(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000524349848 1072706033 /nfs/dbraw/zinc/70/60/33/1072706033.db2.gz GUIUEIBQRYWVCN-MRXNPFEDSA-N 0 3 426.539 -0.106 20 0 IBADHN CNC(=O)CCOc1ccc(NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)cc1 ZINC000524558914 1072713540 /nfs/dbraw/zinc/71/35/40/1072713540.db2.gz XTMDCNIDISEBFH-UHFFFAOYSA-N 0 3 445.520 -0.093 20 0 IBADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)Cn1c2ccc(S(N)(=O)=O)cc2oc1=O ZINC000524591564 1072716047 /nfs/dbraw/zinc/71/60/47/1072716047.db2.gz KAPUPHARQMBLID-CYBMUJFWSA-N 0 3 426.495 -0.189 20 0 IBADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)Cn1c2ccc(S(N)(=O)=O)cc2oc1=O ZINC000524591565 1072716150 /nfs/dbraw/zinc/71/61/50/1072716150.db2.gz KAPUPHARQMBLID-ZDUSSCGKSA-N 0 3 426.495 -0.189 20 0 IBADHN COCCN(CCN(C)C)C(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000524603422 1072716190 /nfs/dbraw/zinc/71/61/90/1072716190.db2.gz NHDYKWRTIPVZJY-UHFFFAOYSA-N 0 3 442.538 -0.317 20 0 IBADHN CCN1CCN([C@H](C)CNC(=O)[C@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)CC1 ZINC000524818611 1072723936 /nfs/dbraw/zinc/72/39/36/1072723936.db2.gz ZEUYTRLJYDSTMJ-CVEARBPZSA-N 0 3 437.566 -0.171 20 0 IBADHN CCN1CCN([C@@H](C)CNC(=O)[C@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)CC1 ZINC000524818612 1072723889 /nfs/dbraw/zinc/72/38/89/1072723889.db2.gz ZEUYTRLJYDSTMJ-HOTGVXAUSA-N 0 3 437.566 -0.171 20 0 IBADHN CCN1CCN([C@H](C)CNC(=O)[C@@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)CC1 ZINC000524818613 1072724027 /nfs/dbraw/zinc/72/40/27/1072724027.db2.gz ZEUYTRLJYDSTMJ-HZPDHXFCSA-N 0 3 437.566 -0.171 20 0 IBADHN CCN1CCN([C@@H](C)CNC(=O)[C@@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)CC1 ZINC000524818614 1072724144 /nfs/dbraw/zinc/72/41/44/1072724144.db2.gz ZEUYTRLJYDSTMJ-JKSUJKDBSA-N 0 3 437.566 -0.171 20 0 IBADHN CN(CCCN1CCN(C)CC1)C(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 ZINC000524861660 1072726199 /nfs/dbraw/zinc/72/61/99/1072726199.db2.gz NJYGEIGRISZOPE-UHFFFAOYSA-N 0 3 437.566 -0.483 20 0 IBADHN COCCN1CCC(NC(=O)NC2CCN(S(=O)(=O)c3cnn(C)c3)CC2)CC1 ZINC000524980439 1072729841 /nfs/dbraw/zinc/72/98/41/1072729841.db2.gz FRNHOOHGJNQXLI-UHFFFAOYSA-N 0 3 428.559 -0.017 20 0 IBADHN CC(=O)NCC(=O)NCC(=O)N1CCC(C(=O)NCCN(C)Cc2ccccc2)CC1 ZINC000525086684 1072735774 /nfs/dbraw/zinc/73/57/74/1072735774.db2.gz HBRJGPZBUXRMIX-UHFFFAOYSA-N 0 3 431.537 -0.275 20 0 IBADHN COCCN1CCC[C@H]1CNC(=O)CNS(=O)(=O)c1ccc(CNC(C)=O)s1 ZINC000525178777 1072739993 /nfs/dbraw/zinc/73/99/93/1072739993.db2.gz JHCXPWQSMSFLGH-AWEZNQCLSA-N 0 3 432.568 -0.111 20 0 IBADHN COCCN1CCC[C@@H]1CNC(=O)CNS(=O)(=O)c1ccc(CNC(C)=O)s1 ZINC000525178778 1072739919 /nfs/dbraw/zinc/73/99/19/1072739919.db2.gz JHCXPWQSMSFLGH-CQSZACIVSA-N 0 3 432.568 -0.111 20 0 IBADHN C[C@@H](CNC(=O)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)CN1CCN(C)CC1 ZINC000525321570 1072748047 /nfs/dbraw/zinc/74/80/47/1072748047.db2.gz JXEHLVPCNFLETI-HNNXBMFYSA-N 0 3 425.555 -0.125 20 0 IBADHN C[C@H](CNC(=O)C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)CN1CCN(C)CC1 ZINC000525321571 1072748016 /nfs/dbraw/zinc/74/80/16/1072748016.db2.gz JXEHLVPCNFLETI-OAHLLOKOSA-N 0 3 425.555 -0.125 20 0 IBADHN COc1ccc(NC(=O)C(=O)NC[C@H](C)CN2CCN(C)CC2)cc1-n1nnnc1C ZINC000525322968 1072748733 /nfs/dbraw/zinc/74/87/33/1072748733.db2.gz XLVQATCWRIQJMQ-AWEZNQCLSA-N 0 3 430.513 -0.082 20 0 IBADHN COc1ccc(NC(=O)C(=O)NC[C@@H](C)CN2CCN(C)CC2)cc1-n1nnnc1C ZINC000525322973 1072748660 /nfs/dbraw/zinc/74/86/60/1072748660.db2.gz XLVQATCWRIQJMQ-CQSZACIVSA-N 0 3 430.513 -0.082 20 0 IBADHN C[C@H](CNC(=O)c1cncc(C(=O)NC[C@H](C)N2CCN(C)CC2)c1)N1CCN(C)CC1 ZINC000525391550 1072751401 /nfs/dbraw/zinc/75/14/01/1072751401.db2.gz NZTHFXXARCOHTO-KDURUIRLSA-N 0 3 445.612 -0.187 20 0 IBADHN C[C@@H](CNC(=O)c1cncc(C(=O)NC[C@H](C)N2CCN(C)CC2)c1)N1CCN(C)CC1 ZINC000525391551 1072751467 /nfs/dbraw/zinc/75/14/67/1072751467.db2.gz NZTHFXXARCOHTO-OALUTQOASA-N 0 3 445.612 -0.187 20 0 IBADHN C[C@H](CNC(=O)c1cncc(C(=O)NC[C@@H](C)N2CCN(C)CC2)c1)N1CCN(C)CC1 ZINC000525391552 1072751372 /nfs/dbraw/zinc/75/13/72/1072751372.db2.gz NZTHFXXARCOHTO-RTBURBONSA-N 0 3 445.612 -0.187 20 0 IBADHN CCN1CCN(CCNC(=O)C(=O)Nc2ccc(F)c(S(=O)(=O)NC3CC3)c2)CC1 ZINC000525435094 1072753373 /nfs/dbraw/zinc/75/33/73/1072753373.db2.gz KCSVDMVLPWLDFR-UHFFFAOYSA-N 0 3 441.529 -0.041 20 0 IBADHN CN(C)CCN1C[C@@H](C(=O)N2CCN(S(=O)(=O)c3c[nH]c4ncccc34)CC2)CC1=O ZINC000525484804 1072756850 /nfs/dbraw/zinc/75/68/50/1072756850.db2.gz RNZSNMXYHXVWAS-HNNXBMFYSA-N 0 3 448.549 -0.194 20 0 IBADHN CN(C)CCN1C[C@H](C(=O)N2CCN(S(=O)(=O)c3c[nH]c4ncccc34)CC2)CC1=O ZINC000525484805 1072756803 /nfs/dbraw/zinc/75/68/03/1072756803.db2.gz RNZSNMXYHXVWAS-OAHLLOKOSA-N 0 3 448.549 -0.194 20 0 IBADHN CN(CCNC(=O)C1CCN(C(=O)CN2C(=O)C(=O)N(C)C2=O)CC1)Cc1ccccc1 ZINC000525600747 1072761489 /nfs/dbraw/zinc/76/14/89/1072761489.db2.gz PAZLSFGYZUTXPO-UHFFFAOYSA-N 0 3 443.504 -0.106 20 0 IBADHN CN1CCN(C)[C@H](CNc2cc(C(F)(F)F)nc(NC[C@H]3CN(C)CCN3C)n2)C1 ZINC000525705843 1072770943 /nfs/dbraw/zinc/77/09/43/1072770943.db2.gz STSKNUPMYHNZEZ-CABCVRRESA-N 0 3 430.523 -0.345 20 0 IBADHN CN1CCN(C)[C@@H](CNc2cc(C(F)(F)F)nc(NC[C@H]3CN(C)CCN3C)n2)C1 ZINC000525705844 1072770721 /nfs/dbraw/zinc/77/07/21/1072770721.db2.gz STSKNUPMYHNZEZ-GJZGRUSLSA-N 0 3 430.523 -0.345 20 0 IBADHN CN1CCN(C)[C@H](CNc2cc(C(F)(F)F)nc(NC[C@@H]3CN(C)CCN3C)n2)C1 ZINC000525705845 1072770799 /nfs/dbraw/zinc/77/07/99/1072770799.db2.gz STSKNUPMYHNZEZ-HUUCEWRRSA-N 0 3 430.523 -0.345 20 0 IBADHN CN1CCN(C)[C@H](CNc2nc(NC[C@H]3CN(C)CCN3C)cc(C(F)(F)F)n2)C1 ZINC000525705846 1072770765 /nfs/dbraw/zinc/77/07/65/1072770765.db2.gz STSKNUPMYHNZEZ-LSDHHAIUSA-N 0 3 430.523 -0.345 20 0 IBADHN CN(C)CCN(CCOCCO)C(=O)C(=O)Nc1ccc2nc3n(c(=O)c2c1)CCC3 ZINC000527380297 1072807650 /nfs/dbraw/zinc/80/76/50/1072807650.db2.gz ZBIGMERAZOWPSS-UHFFFAOYSA-N 0 3 431.493 -0.320 20 0 IBADHN CCN1CCN(CCNS(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 ZINC000527385811 1072806550 /nfs/dbraw/zinc/80/65/50/1072806550.db2.gz CPZMHFLPRIGTGX-UHFFFAOYSA-N 0 3 446.595 -0.377 20 0 IBADHN CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)[C@H]1CCCN(Cc3cccnc3)C1)C2 ZINC000530334301 1072824731 /nfs/dbraw/zinc/82/47/31/1072824731.db2.gz XRTMKNNANNMKJC-KRWDZBQOSA-N 0 3 427.509 -0.218 20 0 IBADHN CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)[C@@H]1CCCN(Cc3cccnc3)C1)C2 ZINC000530334302 1072824817 /nfs/dbraw/zinc/82/48/17/1072824817.db2.gz XRTMKNNANNMKJC-QGZVFWFLSA-N 0 3 427.509 -0.218 20 0 IBADHN CN1CCN(Cc2ccc(NC(=O)CNS(=O)(=O)c3c[nH]c(C(N)=O)c3)cc2)CC1 ZINC000530572057 1070863977 /nfs/dbraw/zinc/86/39/77/1070863977.db2.gz CUIUURPJSRGKIO-UHFFFAOYSA-N 0 3 434.522 -0.222 20 0 IBADHN Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)CN2C[C@@H](C(N)=O)CC[C@H]2C)CC1 ZINC000530632587 1072828612 /nfs/dbraw/zinc/82/86/12/1072828612.db2.gz KMBPTDIJGGIOHC-DOMZBBRYSA-N 0 3 427.527 -0.290 20 0 IBADHN Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)CN2C[C@H](C(N)=O)CC[C@H]2C)CC1 ZINC000530632588 1072828639 /nfs/dbraw/zinc/82/86/39/1072828639.db2.gz KMBPTDIJGGIOHC-IUODEOHRSA-N 0 3 427.527 -0.290 20 0 IBADHN Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)CN2C[C@H](C(N)=O)CC[C@@H]2C)CC1 ZINC000530632589 1072828490 /nfs/dbraw/zinc/82/84/90/1072828490.db2.gz KMBPTDIJGGIOHC-SWLSCSKDSA-N 0 3 427.527 -0.290 20 0 IBADHN Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)CN2C[C@@H](C(N)=O)CC[C@@H]2C)CC1 ZINC000530632590 1072828699 /nfs/dbraw/zinc/82/86/99/1072828699.db2.gz KMBPTDIJGGIOHC-WFASDCNBSA-N 0 3 427.527 -0.290 20 0 IBADHN O=C(COCC(=O)N1CCN(C[C@@H]2CCOC2)CC1)N1CCN(C[C@H]2CCOC2)CC1 ZINC000530918637 1072833618 /nfs/dbraw/zinc/83/36/18/1072833618.db2.gz CMRMCZJNOOCIRR-BGYRXZFFSA-N 0 3 438.569 -0.636 20 0 IBADHN O=C(COCC(=O)N1CCN(C[C@@H]2CCOC2)CC1)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000530918643 1072833493 /nfs/dbraw/zinc/83/34/93/1072833493.db2.gz CMRMCZJNOOCIRR-PMACEKPBSA-N 0 3 438.569 -0.636 20 0 IBADHN O=C(COCC(=O)N1CCN(C[C@H]2CCOC2)CC1)N1CCN(C[C@H]2CCOC2)CC1 ZINC000530918644 1072833722 /nfs/dbraw/zinc/83/37/22/1072833722.db2.gz CMRMCZJNOOCIRR-WOJBJXKFSA-N 0 3 438.569 -0.636 20 0 IBADHN COCCNC(=O)CN1CCN(C(=O)C(=O)Nc2cc(CN(C)C)ccc2OC)CC1 ZINC000530921312 1072834145 /nfs/dbraw/zinc/83/41/45/1072834145.db2.gz VAPBUDPOLOYURF-UHFFFAOYSA-N 0 3 435.525 -0.398 20 0 IBADHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CCN(CCS(N)(=O)=O)CC1 ZINC000530926655 1072834450 /nfs/dbraw/zinc/83/44/50/1072834450.db2.gz KEHKXVBMHYCPJS-UHFFFAOYSA-N 0 3 427.527 -0.872 20 0 IBADHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)NCCNS(=O)(=O)Cc1ccon1 ZINC000530942212 1072834639 /nfs/dbraw/zinc/83/46/39/1072834639.db2.gz OREQSSBTYSPYHO-UHFFFAOYSA-N 0 3 439.494 -0.081 20 0 IBADHN O=C(COCC(=O)N1CCN(C2CCOCC2)CC1)N1CCN(C2CCOCC2)CC1 ZINC000531097797 1072837611 /nfs/dbraw/zinc/83/76/11/1072837611.db2.gz RMQUCENVBAYVHW-UHFFFAOYSA-N 0 3 438.569 -0.351 20 0 IBADHN Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)CN2CCCC[C@H]2CC(N)=O)CC1 ZINC000531109302 1072836861 /nfs/dbraw/zinc/83/68/61/1072836861.db2.gz PFVXCYOJKIZWIP-HNNXBMFYSA-N 0 3 427.527 -0.146 20 0 IBADHN Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)CN2CCCC[C@@H]2CC(N)=O)CC1 ZINC000531109303 1072837565 /nfs/dbraw/zinc/83/75/65/1072837565.db2.gz PFVXCYOJKIZWIP-OAHLLOKOSA-N 0 3 427.527 -0.146 20 0 IBADHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CCN(C(=O)Cn2cnnn2)CC1 ZINC000531160979 1072837979 /nfs/dbraw/zinc/83/79/79/1072837979.db2.gz UDQVQVQHDABVAV-UHFFFAOYSA-N 0 3 430.469 -0.947 20 0 IBADHN C[C@H]1CCN(CCNC(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)C1 ZINC000531283526 1072839655 /nfs/dbraw/zinc/83/96/55/1072839655.db2.gz QCIZSROZHQLKGP-AWEZNQCLSA-N 0 3 437.522 -0.796 20 0 IBADHN C[C@@H]1CCN(CCNC(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)C1 ZINC000531283527 1072839427 /nfs/dbraw/zinc/83/94/27/1072839427.db2.gz QCIZSROZHQLKGP-CQSZACIVSA-N 0 3 437.522 -0.796 20 0 IBADHN CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)NCCN2CCN(CC)CC2)cc1 ZINC000531292589 1072840333 /nfs/dbraw/zinc/84/03/33/1072840333.db2.gz DYOLZFICMFVGDP-UHFFFAOYSA-N 0 3 426.539 -0.105 20 0 IBADHN Cc1c(NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)cccc1-n1cnnn1 ZINC000531722251 1072847237 /nfs/dbraw/zinc/84/72/37/1072847237.db2.gz NSXVLSNMXQVVMQ-KRWDZBQOSA-N 0 3 426.481 -0.326 20 0 IBADHN Cc1c(NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)cccc1-n1cnnn1 ZINC000531722252 1072847283 /nfs/dbraw/zinc/84/72/83/1072847283.db2.gz NSXVLSNMXQVVMQ-QGZVFWFLSA-N 0 3 426.481 -0.326 20 0 IBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)CNS(=O)(=O)c2ccc3c(c2)COC3)CC1 ZINC000531730255 1072847462 /nfs/dbraw/zinc/84/74/62/1072847462.db2.gz HEUAFKBUQIPLAI-GOSISDBHSA-N 0 3 436.534 -0.240 20 0 IBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)CNS(=O)(=O)c2ccc3c(c2)COC3)CC1 ZINC000531730263 1072847363 /nfs/dbraw/zinc/84/73/63/1072847363.db2.gz HEUAFKBUQIPLAI-SFHVURJKSA-N 0 3 436.534 -0.240 20 0 IBADHN C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NCCCCN1CCN(C)CC1 ZINC000531900617 1072850474 /nfs/dbraw/zinc/85/04/74/1072850474.db2.gz NFWSXJVJYSNKSS-HNNXBMFYSA-N 0 3 425.555 -0.404 20 0 IBADHN C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NCCCCN1CCN(C)CC1 ZINC000531900618 1072850299 /nfs/dbraw/zinc/85/02/99/1072850299.db2.gz NFWSXJVJYSNKSS-OAHLLOKOSA-N 0 3 425.555 -0.404 20 0 IBADHN CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC000532089081 1072853510 /nfs/dbraw/zinc/85/35/10/1072853510.db2.gz XURZFFYUPYCGFI-KRWDZBQOSA-N 0 3 431.603 -0.553 20 0 IBADHN CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC000532089084 1072291977 /nfs/dbraw/zinc/29/19/77/1072291977.db2.gz XURZFFYUPYCGFI-QGZVFWFLSA-N 0 3 431.603 -0.553 20 0 IBADHN CC(C)N1CCN([C@H]2CCN(S(=O)(=O)c3cnc4c(c3)c(=O)[nH]c(=O)n4C)C2)CC1 ZINC000532094498 1072853627 /nfs/dbraw/zinc/85/36/27/1072853627.db2.gz ZCWYOWGKGPODRT-AWEZNQCLSA-N 0 3 436.538 -0.177 20 0 IBADHN CC(C)N1CCN([C@@H]2CCN(S(=O)(=O)c3cnc4c(c3)c(=O)[nH]c(=O)n4C)C2)CC1 ZINC000532094499 1072853421 /nfs/dbraw/zinc/85/34/21/1072853421.db2.gz ZCWYOWGKGPODRT-CQSZACIVSA-N 0 3 436.538 -0.177 20 0 IBADHN Cc1nc(S(=O)(=O)N2CCN(C(=O)NCCCCN3CCN(C)CC3)CC2)cn1C ZINC000532213628 1072856625 /nfs/dbraw/zinc/85/66/25/1072856625.db2.gz MMFTUXNTGVOGEB-UHFFFAOYSA-N 0 3 441.602 -0.228 20 0 IBADHN Cc1cc(NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)ccc1-n1cnnn1 ZINC000532233100 1072857188 /nfs/dbraw/zinc/85/71/88/1072857188.db2.gz LFCKFNZKDDUYCY-KRWDZBQOSA-N 0 3 426.481 -0.326 20 0 IBADHN Cc1cc(NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)ccc1-n1cnnn1 ZINC000532233101 1072857104 /nfs/dbraw/zinc/85/71/04/1072857104.db2.gz LFCKFNZKDDUYCY-QGZVFWFLSA-N 0 3 426.481 -0.326 20 0 IBADHN Cn1cnc(S(=O)(=O)NCC(=O)NCc2ccc(C(=O)NCCN3CCCC3)cc2)c1 ZINC000532298782 1072858100 /nfs/dbraw/zinc/85/81/00/1072858100.db2.gz NWTWXOKSWDZLCQ-UHFFFAOYSA-N 0 3 448.549 -0.160 20 0 IBADHN CC(C)N1CCN([C@H]2CCN(C(=O)CCn3cnc4c3c(=O)n(C)c(=O)n4C)C2)CC1 ZINC000532348423 1072859490 /nfs/dbraw/zinc/85/94/90/1072859490.db2.gz VBSZXCXQCGOFGR-INIZCTEOSA-N 0 3 431.541 -0.549 20 0 IBADHN CC(C)N1CCN([C@@H]2CCN(C(=O)CCn3cnc4c3c(=O)n(C)c(=O)n4C)C2)CC1 ZINC000532348424 1072859625 /nfs/dbraw/zinc/85/96/25/1072859625.db2.gz VBSZXCXQCGOFGR-MRXNPFEDSA-N 0 3 431.541 -0.549 20 0 IBADHN O=C(CNS(=O)(=O)c1ccc2c(c1)COC2)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000532352072 1072859713 /nfs/dbraw/zinc/85/97/13/1072859713.db2.gz ICLOVNNXCLIXRK-UHFFFAOYSA-N 0 3 436.534 -0.238 20 0 IBADHN COC(=O)[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)c2ccccc2O1 ZINC000532520181 1072879929 /nfs/dbraw/zinc/87/99/29/1072879929.db2.gz WBEOURYRZPXKKP-AEFFLSMTSA-N 0 3 444.488 -0.281 20 0 IBADHN COC(=O)[C@H]1CN(C(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)c2ccccc2O1 ZINC000532520182 1072879813 /nfs/dbraw/zinc/87/98/13/1072879813.db2.gz WBEOURYRZPXKKP-FUHWJXTLSA-N 0 3 444.488 -0.281 20 0 IBADHN COC(=O)[C@H]1CN(C(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)c2ccccc2O1 ZINC000532520183 1072879752 /nfs/dbraw/zinc/87/97/52/1072879752.db2.gz WBEOURYRZPXKKP-SJLPKXTDSA-N 0 3 444.488 -0.281 20 0 IBADHN COC(=O)[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)c2ccccc2O1 ZINC000532520184 1072880048 /nfs/dbraw/zinc/88/00/48/1072880048.db2.gz WBEOURYRZPXKKP-WMZOPIPTSA-N 0 3 444.488 -0.281 20 0 IBADHN CS(=O)(=O)c1ccc(OCCCN[C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)cc1 ZINC000532711394 1072897247 /nfs/dbraw/zinc/89/72/47/1072897247.db2.gz LIFIUISUXKBAEJ-MSOLQXFVSA-N 0 3 432.564 -0.054 20 0 IBADHN CS(=O)(=O)c1ccc(OCCCN[C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)cc1 ZINC000532711395 1072897352 /nfs/dbraw/zinc/89/73/52/1072897352.db2.gz LIFIUISUXKBAEJ-QZTJIDSGSA-N 0 3 432.564 -0.054 20 0 IBADHN CS(=O)(=O)c1ccc(OCCCN[C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)cc1 ZINC000532711396 1072897341 /nfs/dbraw/zinc/89/73/41/1072897341.db2.gz LIFIUISUXKBAEJ-ROUUACIJSA-N 0 3 432.564 -0.054 20 0 IBADHN CS(=O)(=O)c1ccc(OCCCN[C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)cc1 ZINC000532711397 1072897795 /nfs/dbraw/zinc/89/77/95/1072897795.db2.gz LIFIUISUXKBAEJ-ZWKOTPCHSA-N 0 3 432.564 -0.054 20 0 IBADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)N3CC[C@@H](S(=O)(=O)NC)C3)cc2)CC1 ZINC000532750513 1072902203 /nfs/dbraw/zinc/90/22/03/1072902203.db2.gz XLIUQHFQLGXGHQ-GOSISDBHSA-N 0 3 437.566 -0.087 20 0 IBADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)N3CC[C@H](S(=O)(=O)NC)C3)cc2)CC1 ZINC000532750514 1072902222 /nfs/dbraw/zinc/90/22/22/1072902222.db2.gz XLIUQHFQLGXGHQ-SFHVURJKSA-N 0 3 437.566 -0.087 20 0 IBADHN Cn1cnc2c1c(=O)n(CCCN1CCCC[C@H]1CCNS(C)(=O)=O)c(=O)n2C ZINC000532920559 1072911205 /nfs/dbraw/zinc/91/12/05/1072911205.db2.gz GSDKVLBEKCIQPD-AWEZNQCLSA-N 0 3 426.543 -0.382 20 0 IBADHN Cn1cnc2c1c(=O)n(CCCN1CCCC[C@@H]1CCNS(C)(=O)=O)c(=O)n2C ZINC000532920560 1072911114 /nfs/dbraw/zinc/91/11/14/1072911114.db2.gz GSDKVLBEKCIQPD-CQSZACIVSA-N 0 3 426.543 -0.382 20 0 IBADHN CCN1CCN(C(=O)CC2CCN(CCn3cnc4c3c(=O)n(C)c(=O)n4C)CC2)CC1 ZINC000532960918 1073000226 /nfs/dbraw/zinc/00/02/26/1073000226.db2.gz OJMAITUEOZQARM-UHFFFAOYSA-N 0 3 445.568 -0.300 20 0 IBADHN CNS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)Nc2ccc3oc(=O)n(CCN(C)C)c3c2)C1 ZINC000533082169 1072922652 /nfs/dbraw/zinc/92/26/52/1072922652.db2.gz ZDRPTMXZWGIIJZ-CYBMUJFWSA-N 0 3 439.494 -0.755 20 0 IBADHN CNS(=O)(=O)[C@H]1CCN(C(=O)C(=O)Nc2ccc3oc(=O)n(CCN(C)C)c3c2)C1 ZINC000533082170 1072922590 /nfs/dbraw/zinc/92/25/90/1072922590.db2.gz ZDRPTMXZWGIIJZ-ZDUSSCGKSA-N 0 3 439.494 -0.755 20 0 IBADHN CNS(=O)(=O)C[C@H]1CCCN1c1cc(N2CCC[C@H]2CS(=O)(=O)NC)nc(C)n1 ZINC000533101478 1072923096 /nfs/dbraw/zinc/92/30/96/1072923096.db2.gz QSYYHQHOIZMRKJ-GASCZTMLSA-N 0 3 446.599 -0.179 20 0 IBADHN CNS(=O)(=O)C[C@@H]1CCCN1c1cc(N2CCC[C@H]2CS(=O)(=O)NC)nc(C)n1 ZINC000533101479 1072923049 /nfs/dbraw/zinc/92/30/49/1072923049.db2.gz QSYYHQHOIZMRKJ-GJZGRUSLSA-N 0 3 446.599 -0.179 20 0 IBADHN CNS(=O)(=O)C[C@H]1CCCN1c1cc(N2CCC[C@@H]2CS(=O)(=O)NC)nc(C)n1 ZINC000533101480 1072923167 /nfs/dbraw/zinc/92/31/67/1072923167.db2.gz QSYYHQHOIZMRKJ-HUUCEWRRSA-N 0 3 446.599 -0.179 20 0 IBADHN CNS(=O)(=O)[C@@H]1CCCN(c2cc(N3CCC[C@H](S(=O)(=O)NC)C3)nc(C)n2)C1 ZINC000533101556 1072922950 /nfs/dbraw/zinc/92/29/50/1072922950.db2.gz VLMXYFIZBPSLCH-GASCZTMLSA-N 0 3 446.599 -0.179 20 0 IBADHN CNS(=O)(=O)[C@H]1CCCN(c2cc(N3CCC[C@H](S(=O)(=O)NC)C3)nc(C)n2)C1 ZINC000533101557 1072923125 /nfs/dbraw/zinc/92/31/25/1072923125.db2.gz VLMXYFIZBPSLCH-GJZGRUSLSA-N 0 3 446.599 -0.179 20 0 IBADHN CNS(=O)(=O)[C@@H]1CCCN(c2cc(N3CCC[C@@H](S(=O)(=O)NC)C3)nc(C)n2)C1 ZINC000533101558 1072923020 /nfs/dbraw/zinc/92/30/20/1072923020.db2.gz VLMXYFIZBPSLCH-HUUCEWRRSA-N 0 3 446.599 -0.179 20 0 IBADHN Cc1nc(N(C)C[C@H](O)CN2CCOCC2)cc(N(C)C[C@@H](O)CN2CCOCC2)n1 ZINC000533101920 1072923135 /nfs/dbraw/zinc/92/31/35/1072923135.db2.gz IFQFECCDMOAWFG-KDURUIRLSA-N 0 3 438.573 -0.956 20 0 IBADHN Cc1nc(N(C)C[C@H](O)CN2CCOCC2)cc(N(C)C[C@H](O)CN2CCOCC2)n1 ZINC000533101921 1072922962 /nfs/dbraw/zinc/92/29/62/1072922962.db2.gz IFQFECCDMOAWFG-OALUTQOASA-N 0 3 438.573 -0.956 20 0 IBADHN Cc1nc(N(C)C[C@@H](O)CN2CCOCC2)cc(N(C)C[C@@H](O)CN2CCOCC2)n1 ZINC000533101922 1072923110 /nfs/dbraw/zinc/92/31/10/1072923110.db2.gz IFQFECCDMOAWFG-RTBURBONSA-N 0 3 438.573 -0.956 20 0 IBADHN CCOC(=O)Cn1cccc(NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)c1=O ZINC000533154315 1072924620 /nfs/dbraw/zinc/92/46/20/1072924620.db2.gz ZDZVHSHYPVAIGY-INIZCTEOSA-N 0 3 447.492 -0.885 20 0 IBADHN CCOC(=O)Cn1cccc(NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)c1=O ZINC000533154316 1072924597 /nfs/dbraw/zinc/92/45/97/1072924597.db2.gz ZDZVHSHYPVAIGY-MRXNPFEDSA-N 0 3 447.492 -0.885 20 0 IBADHN Cn1ncc2c1ncnc2N1CCN(C(=O)CN2CC[C@@H](CN3CCOCC3)C2)CC1 ZINC000533293736 1072931284 /nfs/dbraw/zinc/93/12/84/1072931284.db2.gz QVLBFMYQYMEPAI-KRWDZBQOSA-N 0 3 428.541 -0.334 20 0 IBADHN Cn1ncc2c1ncnc2N1CCN(C(=O)CN2CC[C@H](CN3CCOCC3)C2)CC1 ZINC000533293737 1072931360 /nfs/dbraw/zinc/93/13/60/1072931360.db2.gz QVLBFMYQYMEPAI-QGZVFWFLSA-N 0 3 428.541 -0.334 20 0 IBADHN CNS(=O)(=O)[C@@H]1CCCN(CCOCCN2CCC[C@H](S(=O)(=O)NC)C2)C1 ZINC000533381794 1072937879 /nfs/dbraw/zinc/93/78/79/1072937879.db2.gz ZDLSKQLESQOQPN-IYBDPMFKSA-N 0 3 426.605 -0.970 20 0 IBADHN CC[C@@H]1CN(Cc2cc(=O)n(C)c(=O)n2C)[C@@H](CC)CN1Cc1cc(=O)n(C)c(=O)n1C ZINC000533395036 1072940139 /nfs/dbraw/zinc/94/01/39/1072940139.db2.gz FXRRZHMBFPDJBS-IYBDPMFKSA-N 0 3 446.552 -0.644 20 0 IBADHN CS(=O)(=O)N[C@@H]1CCN(Cc2ccc(CN3CC[C@H](NS(C)(=O)=O)C3)cc2)C1 ZINC000533432727 1072942015 /nfs/dbraw/zinc/94/20/15/1072942015.db2.gz FQDNNEUNTIAJFV-HDICACEKSA-N 0 3 430.596 -0.066 20 0 IBADHN Cn1cc(C(=O)NCC2CCN(CCn3cnc4c3c(=O)n(C)c(=O)n4C)CC2)cn1 ZINC000533448554 1072942548 /nfs/dbraw/zinc/94/25/48/1072942548.db2.gz VTDWBBWPRRWPML-UHFFFAOYSA-N 0 3 428.497 -0.691 20 0 IBADHN CNS(=O)(=O)[C@@H]1CCN(Cc2ccc(CN3CC[C@H](S(=O)(=O)NC)C3)cc2)C1 ZINC000533545424 1072950072 /nfs/dbraw/zinc/95/00/72/1072950072.db2.gz XEMIFOMAJZQQLS-HDICACEKSA-N 0 3 430.596 -0.066 20 0 IBADHN Cc1nc(NC[C@@](C)(O)CN2CCOCC2)cc(NC[C@@](C)(O)CN2CCOCC2)n1 ZINC000533560233 1072950547 /nfs/dbraw/zinc/95/05/47/1072950547.db2.gz ZQHACKVLMUZWBE-NHCUHLMSSA-N 0 3 438.573 -0.225 20 0 IBADHN Cc1nc(NC[C@](C)(O)CN2CCOCC2)cc(NC[C@](C)(O)CN2CCOCC2)n1 ZINC000533560235 1072950707 /nfs/dbraw/zinc/95/07/07/1072950707.db2.gz ZQHACKVLMUZWBE-SFTDATJTSA-N 0 3 438.573 -0.225 20 0 IBADHN COCCN(CCN(C)C)C(=O)C(=O)Nc1ccc(S(=O)(=O)N(C)C)c(OC)c1 ZINC000533798075 1072962136 /nfs/dbraw/zinc/96/21/36/1072962136.db2.gz GUOBXSWBPXDBPL-UHFFFAOYSA-N 0 3 430.527 -0.079 20 0 IBADHN CCN1CCN(CCNC(=O)C(=O)Nc2ccc(S(=O)(=O)N(C)C)c(OC)c2)CC1 ZINC000533800762 1072962067 /nfs/dbraw/zinc/96/20/67/1072962067.db2.gz UOJKBJFHYXIMIK-UHFFFAOYSA-N 0 3 441.554 -0.362 20 0 IBADHN Cc1c(C(=O)NCCCCN2CCN(CCO)CC2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000533933621 1073105638 /nfs/dbraw/zinc/10/56/38/1073105638.db2.gz XPHRMCMVTRGCGR-UHFFFAOYSA-N 0 3 432.525 -0.939 20 0 IBADHN O=C(NCCCCN1CCN(CCO)CC1)c1cnc2c(c1)c(=O)[nH]c(=O)n2C1CC1 ZINC000533935047 1073113702 /nfs/dbraw/zinc/11/37/02/1073113702.db2.gz UDTBNWRGFIJYEJ-UHFFFAOYSA-N 0 3 430.509 -0.048 20 0 IBADHN CS[C@H]1CN(C(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)C[C@H]1N(C)C ZINC000534091507 1072410339 /nfs/dbraw/zinc/41/03/39/1072410339.db2.gz IDCBJNKXADIMDX-CVEARBPZSA-N 0 3 426.564 -0.075 20 0 IBADHN CS[C@H]1CN(C(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)C[C@@H]1N(C)C ZINC000534091509 1072410323 /nfs/dbraw/zinc/41/03/23/1072410323.db2.gz IDCBJNKXADIMDX-HOTGVXAUSA-N 0 3 426.564 -0.075 20 0 IBADHN CS[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)C[C@H]1N(C)C ZINC000534091510 1072410253 /nfs/dbraw/zinc/41/02/53/1072410253.db2.gz IDCBJNKXADIMDX-HZPDHXFCSA-N 0 3 426.564 -0.075 20 0 IBADHN CS[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)C[C@@H]1N(C)C ZINC000534091511 1072410283 /nfs/dbraw/zinc/41/02/83/1072410283.db2.gz IDCBJNKXADIMDX-JKSUJKDBSA-N 0 3 426.564 -0.075 20 0 IBADHN CN1CCN(C(=O)C2CCN(C(=O)C(=O)Nc3ccc4[nH]nc(C(N)=O)c4c3)CC2)CC1 ZINC000534099554 1072411039 /nfs/dbraw/zinc/41/10/39/1072411039.db2.gz QQKKROHYBDRKEF-UHFFFAOYSA-N 0 3 441.492 -0.387 20 0 IBADHN O=C1NC(=O)C2(CCN(CCOc3ccc(S(=O)(=O)N4CCOCC4)cc3)CC2)N1 ZINC000534101340 1072411602 /nfs/dbraw/zinc/41/16/02/1072411602.db2.gz HORPJQBNLAUDHC-UHFFFAOYSA-N 0 3 438.506 -0.240 20 0 IBADHN Cn1cnc2c1c(=O)n(CC(=O)N[C@@H]1CCN(Cc3ccccc3)C[C@H]1CO)c(=O)n2C ZINC000534180496 1072413630 /nfs/dbraw/zinc/41/36/30/1072413630.db2.gz CVTAHRCIZZILQC-DLBZAZTESA-N 0 3 440.504 -0.567 20 0 IBADHN Cn1cnc2c1c(=O)n(CC(=O)N[C@@H]1CCN(Cc3ccccc3)C[C@@H]1CO)c(=O)n2C ZINC000534180523 1072413475 /nfs/dbraw/zinc/41/34/75/1072413475.db2.gz CVTAHRCIZZILQC-IAGOWNOFSA-N 0 3 440.504 -0.567 20 0 IBADHN Cn1cnc2c1c(=O)n(CC(=O)N[C@H]1CCN(Cc3ccccc3)C[C@H]1CO)c(=O)n2C ZINC000534180525 1072413582 /nfs/dbraw/zinc/41/35/82/1072413582.db2.gz CVTAHRCIZZILQC-IRXDYDNUSA-N 0 3 440.504 -0.567 20 0 IBADHN Cn1cnc2c1c(=O)n(CC(=O)N[C@H]1CCN(Cc3ccccc3)C[C@@H]1CO)c(=O)n2C ZINC000534180527 1072413381 /nfs/dbraw/zinc/41/33/81/1072413381.db2.gz CVTAHRCIZZILQC-SJORKVTESA-N 0 3 440.504 -0.567 20 0 IBADHN CC(C)NC(=O)CNS(=O)(=O)CCC(=O)NC[C@H]1C[C@H](O)CN1Cc1ccccc1 ZINC000534199352 1072414050 /nfs/dbraw/zinc/41/40/50/1072414050.db2.gz NWCXJQWCUCZRPZ-MSOLQXFVSA-N 0 3 440.566 -0.428 20 0 IBADHN CC(C)NC(=O)CNS(=O)(=O)CCC(=O)NC[C@H]1C[C@@H](O)CN1Cc1ccccc1 ZINC000534199452 1072414028 /nfs/dbraw/zinc/41/40/28/1072414028.db2.gz NWCXJQWCUCZRPZ-QZTJIDSGSA-N 0 3 440.566 -0.428 20 0 IBADHN CC(C)NC(=O)CNS(=O)(=O)CCC(=O)NC[C@@H]1C[C@H](O)CN1Cc1ccccc1 ZINC000534199453 1072414130 /nfs/dbraw/zinc/41/41/30/1072414130.db2.gz NWCXJQWCUCZRPZ-ROUUACIJSA-N 0 3 440.566 -0.428 20 0 IBADHN CC(C)NC(=O)CNS(=O)(=O)CCC(=O)NC[C@@H]1C[C@@H](O)CN1Cc1ccccc1 ZINC000534199454 1072414110 /nfs/dbraw/zinc/41/41/10/1072414110.db2.gz NWCXJQWCUCZRPZ-ZWKOTPCHSA-N 0 3 440.566 -0.428 20 0 IBADHN CN(C)CCNC(=O)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1 ZINC000534377788 1072416746 /nfs/dbraw/zinc/41/67/46/1072416746.db2.gz BCFVCJTVOGMAAJ-UHFFFAOYSA-N 0 3 427.527 -0.610 20 0 IBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)Nc2ccc3n[nH]c(C(N)=O)c3c2)CC1 ZINC000534831663 1072428163 /nfs/dbraw/zinc/42/81/63/1072428163.db2.gz IDWPLACQIGECNC-UHFFFAOYSA-N 0 3 429.481 -0.387 20 0 IBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)Nc2ccc3n[nH]c(C(N)=O)c3c2)CC1 ZINC000534854141 1072429174 /nfs/dbraw/zinc/42/91/74/1072429174.db2.gz RVNXKJFVBGTFLV-HNNXBMFYSA-N 0 3 427.465 -0.635 20 0 IBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)Nc2ccc3n[nH]c(C(N)=O)c3c2)CC1 ZINC000534854147 1072429108 /nfs/dbraw/zinc/42/91/08/1072429108.db2.gz RVNXKJFVBGTFLV-OAHLLOKOSA-N 0 3 427.465 -0.635 20 0 IBADHN NC(=O)c1cc(S(=O)(=O)NCC(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@H]2CO)c[nH]1 ZINC000534917580 1072430367 /nfs/dbraw/zinc/43/03/67/1072430367.db2.gz LEIGQWWKKBQPED-DOTOQJQBSA-N 0 3 449.533 -0.609 20 0 IBADHN NC(=O)c1cc(S(=O)(=O)NCC(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@@H]2CO)c[nH]1 ZINC000534917589 1072430330 /nfs/dbraw/zinc/43/03/30/1072430330.db2.gz LEIGQWWKKBQPED-NVXWUHKLSA-N 0 3 449.533 -0.609 20 0 IBADHN NC(=O)c1cc(S(=O)(=O)NCC(=O)N[C@H]2CCN(Cc3ccccc3)C[C@H]2CO)c[nH]1 ZINC000534917591 1072430152 /nfs/dbraw/zinc/43/01/52/1072430152.db2.gz LEIGQWWKKBQPED-RDJZCZTQSA-N 0 3 449.533 -0.609 20 0 IBADHN NC(=O)c1cc(S(=O)(=O)NCC(=O)N[C@H]2CCN(Cc3ccccc3)C[C@@H]2CO)c[nH]1 ZINC000534917594 1072430301 /nfs/dbraw/zinc/43/03/01/1072430301.db2.gz LEIGQWWKKBQPED-WBVHZDCISA-N 0 3 449.533 -0.609 20 0 IBADHN CN(C)CCn1cc(NC(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)ccc1=O ZINC000535230264 1072435190 /nfs/dbraw/zinc/43/51/90/1072435190.db2.gz QZDQULKEHWVVAV-UHFFFAOYSA-N 0 3 447.517 -0.217 20 0 IBADHN C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)Nc1ccc(=O)n(CCN(C)C)c1 ZINC000535250245 1072436382 /nfs/dbraw/zinc/43/63/82/1072436382.db2.gz BSAJQJMYQQJUTG-CYBMUJFWSA-N 0 3 435.506 -0.186 20 0 IBADHN C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)Nc1ccc(=O)n(CCN(C)C)c1 ZINC000535250304 1072436362 /nfs/dbraw/zinc/43/63/62/1072436362.db2.gz BSAJQJMYQQJUTG-ZDUSSCGKSA-N 0 3 435.506 -0.186 20 0 IBADHN CN(C)[C@H](CNC(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1)Cc1ccccc1 ZINC000535258429 1072436358 /nfs/dbraw/zinc/43/63/58/1072436358.db2.gz ZCCNFMIAECDACM-IBGZPJMESA-N 0 3 431.537 -0.128 20 0 IBADHN CN(C)[C@@H](CNC(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1)Cc1ccccc1 ZINC000535258440 1072436372 /nfs/dbraw/zinc/43/63/72/1072436372.db2.gz ZCCNFMIAECDACM-LJQANCHMSA-N 0 3 431.537 -0.128 20 0 IBADHN Cc1cc(C(=O)NCCCCN2CCN(CCO)CC2)nc2c1c(=O)n(C)c(=O)n2C ZINC000535428065 1072440055 /nfs/dbraw/zinc/44/00/55/1072440055.db2.gz WTPGTGGMAOSVMI-UHFFFAOYSA-N 0 3 432.525 -0.939 20 0 IBADHN NC(=O)c1[nH]nc2ccc(NC(=O)C(=O)N3CCN(C(=O)CN4CCCC4)CC3)cc21 ZINC000535541762 1072442579 /nfs/dbraw/zinc/44/25/79/1072442579.db2.gz CXRWPXQTZLBBAS-UHFFFAOYSA-N 0 3 427.465 -0.633 20 0 IBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)Nc1ccc2n[nH]c(C(N)=O)c2c1 ZINC000535544546 1072443133 /nfs/dbraw/zinc/44/31/33/1072443133.db2.gz PWGFJPNBNXOESR-HNNXBMFYSA-N 0 3 429.481 -0.341 20 0 IBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)Nc1ccc2n[nH]c(C(N)=O)c2c1 ZINC000535544549 1072443039 /nfs/dbraw/zinc/44/30/39/1072443039.db2.gz PWGFJPNBNXOESR-OAHLLOKOSA-N 0 3 429.481 -0.341 20 0 IBADHN Cn1c2ncn(CC(=O)N[C@@H]3CCN(Cc4ccccc4)C[C@H]3CO)c2c(=O)n(C)c1=O ZINC000535630451 1070837389 /nfs/dbraw/zinc/83/73/89/1070837389.db2.gz BZUCAOLDTRAURG-DLBZAZTESA-N 0 3 440.504 -0.567 20 0 IBADHN Cn1c2ncn(CC(=O)N[C@@H]3CCN(Cc4ccccc4)C[C@@H]3CO)c2c(=O)n(C)c1=O ZINC000535630453 1070837897 /nfs/dbraw/zinc/83/78/97/1070837897.db2.gz BZUCAOLDTRAURG-IAGOWNOFSA-N 0 3 440.504 -0.567 20 0 IBADHN Cn1c2ncn(CC(=O)N[C@H]3CCN(Cc4ccccc4)C[C@H]3CO)c2c(=O)n(C)c1=O ZINC000535630454 1070837280 /nfs/dbraw/zinc/83/72/80/1070837280.db2.gz BZUCAOLDTRAURG-IRXDYDNUSA-N 0 3 440.504 -0.567 20 0 IBADHN Cn1c2ncn(CC(=O)N[C@H]3CCN(Cc4ccccc4)C[C@@H]3CO)c2c(=O)n(C)c1=O ZINC000535630455 1070838406 /nfs/dbraw/zinc/83/84/06/1070838406.db2.gz BZUCAOLDTRAURG-SJORKVTESA-N 0 3 440.504 -0.567 20 0 IBADHN CN(C)CCn1cc(NC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)ccc1=O ZINC000535983590 1071157406 /nfs/dbraw/zinc/15/74/06/1071157406.db2.gz PNVQWLQXHIYIEZ-UHFFFAOYSA-N 0 3 447.517 -0.217 20 0 IBADHN CN(C)[C@H](CNC(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C)Cc1ccccc1 ZINC000536013895 1071163920 /nfs/dbraw/zinc/16/39/20/1071163920.db2.gz QLGPFGCIVJKDCY-INIZCTEOSA-N 0 3 438.488 -0.140 20 0 IBADHN CN(C)[C@@H](CNC(=O)C(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C)Cc1ccccc1 ZINC000536013896 1071163809 /nfs/dbraw/zinc/16/38/09/1071163809.db2.gz QLGPFGCIVJKDCY-MRXNPFEDSA-N 0 3 438.488 -0.140 20 0 IBADHN CCc1c(C(=O)NCCCCN2CCN(CCO)CC2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000536177239 1071210323 /nfs/dbraw/zinc/21/03/23/1071210323.db2.gz UBHCXCQJJDVZHQ-UHFFFAOYSA-N 0 3 446.552 -0.686 20 0 IBADHN NC(=O)c1cc(S(=O)(=O)NCC(=O)NC[C@H]2C[C@H](O)CN2Cc2ccccc2)c[nH]1 ZINC000536449439 1072309968 /nfs/dbraw/zinc/30/99/68/1072309968.db2.gz UCTDTIQAZXQDIR-CABCVRRESA-N 0 3 435.506 -0.857 20 0 IBADHN NC(=O)c1cc(S(=O)(=O)NCC(=O)NC[C@@H]2C[C@H](O)CN2Cc2ccccc2)c[nH]1 ZINC000536449462 1071061993 /nfs/dbraw/zinc/06/19/93/1071061993.db2.gz UCTDTIQAZXQDIR-GJZGRUSLSA-N 0 3 435.506 -0.857 20 0 IBADHN NC(=O)c1cc(S(=O)(=O)NCC(=O)NC[C@H]2C[C@@H](O)CN2Cc2ccccc2)c[nH]1 ZINC000536449464 1072310536 /nfs/dbraw/zinc/31/05/36/1072310536.db2.gz UCTDTIQAZXQDIR-HUUCEWRRSA-N 0 3 435.506 -0.857 20 0 IBADHN NC(=O)c1cc(S(=O)(=O)NCC(=O)NC[C@@H]2C[C@@H](O)CN2Cc2ccccc2)c[nH]1 ZINC000536449465 1071062037 /nfs/dbraw/zinc/06/20/37/1071062037.db2.gz UCTDTIQAZXQDIR-LSDHHAIUSA-N 0 3 435.506 -0.857 20 0 IBADHN Cn1ccnc(N2CCN(CCCCN3CCN(c4nccn(C)c4=O)CC3)CC2)c1=O ZINC000536541871 1072886299 /nfs/dbraw/zinc/88/62/99/1072886299.db2.gz PPWSTIOBUSRHTR-UHFFFAOYSA-N 0 3 442.568 -0.402 20 0 IBADHN CNS(=O)(=O)[C@@H]1CCN(Cc2ccccc2CN2CC[C@H](S(=O)(=O)NC)C2)C1 ZINC000536542283 1072886589 /nfs/dbraw/zinc/88/65/89/1072886589.db2.gz FXZXZLLBKAFIJZ-HDICACEKSA-N 0 3 430.596 -0.066 20 0 IBADHN CNS(=O)(=O)[C@@H]1CCN(Cc2ccccc2CN2CC[C@@H](S(=O)(=O)NC)C2)C1 ZINC000536542305 1071419122 /nfs/dbraw/zinc/41/91/22/1071419122.db2.gz FXZXZLLBKAFIJZ-QZTJIDSGSA-N 0 3 430.596 -0.066 20 0 IBADHN CNS(=O)(=O)[C@H]1CCN(Cc2ccccc2CN2CC[C@H](S(=O)(=O)NC)C2)C1 ZINC000536542308 1072886399 /nfs/dbraw/zinc/88/63/99/1072886399.db2.gz FXZXZLLBKAFIJZ-ROUUACIJSA-N 0 3 430.596 -0.066 20 0 IBADHN CCNS(=O)(=O)[C@@H]1CCN(CCOCCN2CC[C@H](S(=O)(=O)NCC)C2)C1 ZINC000536561422 1072887770 /nfs/dbraw/zinc/88/77/70/1072887770.db2.gz DAWUVLLXQICCKP-IYBDPMFKSA-N 0 3 426.605 -0.970 20 0 IBADHN Cn1cnn(-c2ccc(NC(=O)C(=O)N3CCN(C(=O)CN4CCCC4)CC3)cc2)c1=O ZINC000536645907 1072966160 /nfs/dbraw/zinc/96/61/60/1072966160.db2.gz ZKPZDLSPYBGKEY-UHFFFAOYSA-N 0 3 441.492 -0.724 20 0 IBADHN COC(=O)C1(O)CCN(C(=O)C(=O)Nc2ccc3oc(=O)n(CCN(C)C)c3c2)CC1 ZINC000536715188 1072966677 /nfs/dbraw/zinc/96/66/77/1072966677.db2.gz LUZYGTFUXFBHPS-UHFFFAOYSA-N 0 3 434.449 -0.379 20 0 IBADHN CN1CCN(C(=O)CN2CCN(CC(=O)N3CCN(C)CC3)C3(CCCCC3)C2)CC1 ZINC000536749094 1072967795 /nfs/dbraw/zinc/96/77/95/1072967795.db2.gz ISEQRHIPQWVNID-UHFFFAOYSA-N 0 3 434.629 -0.145 20 0 IBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)Nc1cc(-n2cnnn2)ccc1F ZINC000537084195 1072976374 /nfs/dbraw/zinc/97/63/74/1072976374.db2.gz XHIGLZIQMZRPEC-INIZCTEOSA-N 0 3 432.460 -0.201 20 0 IBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)Nc1cc(-n2cnnn2)ccc1F ZINC000537084196 1072976251 /nfs/dbraw/zinc/97/62/51/1072976251.db2.gz XHIGLZIQMZRPEC-MRXNPFEDSA-N 0 3 432.460 -0.201 20 0 IBADHN CCN(CC)CC(=O)N1CCN(C(=O)N[C@@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)CC1 ZINC000537272903 1072979961 /nfs/dbraw/zinc/97/99/61/1072979961.db2.gz UNBAKONRNDMWHR-APWZRJJASA-N 0 3 430.571 -0.082 20 0 IBADHN CCN(CC)CC(=O)N1CCN(C(=O)N[C@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)CC1 ZINC000537272904 1072980188 /nfs/dbraw/zinc/98/01/88/1072980188.db2.gz UNBAKONRNDMWHR-LPHOPBHVSA-N 0 3 430.571 -0.082 20 0 IBADHN CCN(CC)CC(=O)N1CCN(C(=O)N[C@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)CC1 ZINC000537272905 1072980246 /nfs/dbraw/zinc/98/02/46/1072980246.db2.gz UNBAKONRNDMWHR-QFBILLFUSA-N 0 3 430.571 -0.082 20 0 IBADHN CCN(CC)CC(=O)N1CCN(C(=O)N[C@@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)CC1 ZINC000537272906 1072980007 /nfs/dbraw/zinc/98/00/07/1072980007.db2.gz UNBAKONRNDMWHR-VQIMIIECSA-N 0 3 430.571 -0.082 20 0 IBADHN CN(C)[C@]1(CNC(=O)C(=O)Nc2ccnc(C(=O)N3CCN(C)CC3)c2)CCSC1 ZINC000537275972 1072980055 /nfs/dbraw/zinc/98/00/55/1072980055.db2.gz LAPQXBMRQWPCAB-FQEVSTJZSA-N 0 3 434.566 -0.039 20 0 IBADHN CN(C)[C@@]1(CNC(=O)C(=O)Nc2ccnc(C(=O)N3CCN(C)CC3)c2)CCSC1 ZINC000537275976 1072980271 /nfs/dbraw/zinc/98/02/71/1072980271.db2.gz LAPQXBMRQWPCAB-HXUWFJFHSA-N 0 3 434.566 -0.039 20 0 IBADHN Cn1cnn(-c2ccc(NC(=O)C(=O)N3CCN(C(=O)[C@@H]4CCCN4C)CC3)cc2)c1=O ZINC000537829422 1073123768 /nfs/dbraw/zinc/12/37/68/1073123768.db2.gz FLQHCHCYYGAZAJ-KRWDZBQOSA-N 0 3 441.492 -0.726 20 0 IBADHN Cn1cnn(-c2ccc(NC(=O)C(=O)N3CCN(C(=O)[C@H]4CCCN4C)CC3)cc2)c1=O ZINC000537829424 1073123700 /nfs/dbraw/zinc/12/37/00/1073123700.db2.gz FLQHCHCYYGAZAJ-QGZVFWFLSA-N 0 3 441.492 -0.726 20 0 IBADHN O=C(CNC(=O)c1cnc2ccccc2c1[O-])N1CCC(O)(C[NH+]2CCOCC2)CC1 ZINC000537835826 1073122590 /nfs/dbraw/zinc/12/25/90/1073122590.db2.gz BCWIZKDBPSWFML-UHFFFAOYSA-N 0 3 428.489 -0.056 20 0 IBADHN O=C(CNC(=O)c1cnc2ccccc2c1O)N1CCC(O)(CN2CCOCC2)CC1 ZINC000537835826 1073122583 /nfs/dbraw/zinc/12/25/83/1073122583.db2.gz BCWIZKDBPSWFML-UHFFFAOYSA-N 0 3 428.489 -0.056 20 0 IBADHN CCN1CCN(CC(=O)N(C2CC2)[C@H]2CCN(C(=O)CN3CCN(CC)CC3)C2)CC1 ZINC000537920704 1073126799 /nfs/dbraw/zinc/12/67/99/1073126799.db2.gz FPBJYLYWNOPFGB-NRFANRHFSA-N 0 3 434.629 -0.147 20 0 IBADHN CCN1CCN(CC(=O)N(C2CC2)[C@@H]2CCN(C(=O)CN3CCN(CC)CC3)C2)CC1 ZINC000537920705 1073126724 /nfs/dbraw/zinc/12/67/24/1073126724.db2.gz FPBJYLYWNOPFGB-OAQYLSRUSA-N 0 3 434.629 -0.147 20 0 IBADHN CCOC(=O)Cn1cccc(NC(=O)C(=O)N2CC[C@H](N3CCN(C(C)C)CC3)C2)c1=O ZINC000538089711 1073135866 /nfs/dbraw/zinc/13/58/66/1073135866.db2.gz DREZDPQQUAADCT-KRWDZBQOSA-N 0 3 447.536 -0.023 20 0 IBADHN CCOC(=O)Cn1cccc(NC(=O)C(=O)N2CC[C@@H](N3CCN(C(C)C)CC3)C2)c1=O ZINC000538089712 1073135715 /nfs/dbraw/zinc/13/57/15/1073135715.db2.gz DREZDPQQUAADCT-QGZVFWFLSA-N 0 3 447.536 -0.023 20 0 IBADHN CN(C(=O)c1ccc(NC(=O)C(=O)NCCC(=O)NC(N)=O)cc1)[C@H]1CCCN(C)C1 ZINC000538097427 1073137155 /nfs/dbraw/zinc/13/71/55/1073137155.db2.gz JGZYPZFJBPYLEI-HNNXBMFYSA-N 0 3 432.481 -0.508 20 0 IBADHN CN(C(=O)c1ccc(NC(=O)C(=O)NCCC(=O)NC(N)=O)cc1)[C@@H]1CCCN(C)C1 ZINC000538097428 1073137102 /nfs/dbraw/zinc/13/71/02/1073137102.db2.gz JGZYPZFJBPYLEI-OAHLLOKOSA-N 0 3 432.481 -0.508 20 0 IBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)Nc2cc(-n3cnnn3)ccc2F)CC1 ZINC000538175872 1073141795 /nfs/dbraw/zinc/14/17/95/1073141795.db2.gz UZIYVUIHLKDHNQ-INIZCTEOSA-N 0 3 430.444 -0.495 20 0 IBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)Nc2cc(-n3cnnn3)ccc2F)CC1 ZINC000538175878 1073141751 /nfs/dbraw/zinc/14/17/51/1073141751.db2.gz UZIYVUIHLKDHNQ-MRXNPFEDSA-N 0 3 430.444 -0.495 20 0 IBADHN C[C@@H](NCC(=O)N1CCN(CC(=O)N2CCOCC2)CC1)c1ccc(-n2ccnn2)cc1 ZINC000538234461 1073143968 /nfs/dbraw/zinc/14/39/68/1073143968.db2.gz PAJBLAZTMBJYCB-GOSISDBHSA-N 0 3 441.536 -0.079 20 0 IBADHN C[C@H](NCC(=O)N1CCN(CC(=O)N2CCOCC2)CC1)c1ccc(-n2ccnn2)cc1 ZINC000538234462 1073143770 /nfs/dbraw/zinc/14/37/70/1073143770.db2.gz PAJBLAZTMBJYCB-SFHVURJKSA-N 0 3 441.536 -0.079 20 0 IBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)c1ccc(S(=O)(=O)N(C)CCO)cc1 ZINC000538411281 1073150027 /nfs/dbraw/zinc/15/00/27/1073150027.db2.gz BMBDPMDPCOSRJI-GOSISDBHSA-N 0 3 440.566 -0.028 20 0 IBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)c1ccc(S(=O)(=O)N(C)CCO)cc1 ZINC000538411282 1073150109 /nfs/dbraw/zinc/15/01/09/1073150109.db2.gz BMBDPMDPCOSRJI-SFHVURJKSA-N 0 3 440.566 -0.028 20 0 IBADHN CCN(CC)CC(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)N(C)CCO)cc2)CC1 ZINC000538413786 1073149600 /nfs/dbraw/zinc/14/96/00/1073149600.db2.gz RHLZGTAEIUZVEX-UHFFFAOYSA-N 0 3 440.566 -0.074 20 0 IBADHN NS(=O)(=O)c1cnn(CC(=O)NCc2ccc(C(=O)NCCN3CCCC3)cc2)c1 ZINC000538429331 1073150425 /nfs/dbraw/zinc/15/04/25/1073150425.db2.gz AMERLNSOIVGEDU-UHFFFAOYSA-N 0 3 434.522 -0.328 20 0 IBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)Nc2ccc(-n3ncn(C)c3=O)cc2)CC1 ZINC000538931551 1073168267 /nfs/dbraw/zinc/16/82/67/1073168267.db2.gz GTLLJTRULYYVLA-UHFFFAOYSA-N 0 3 443.508 -0.478 20 0 IBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)Nc1ccc(-n2ncn(C)c2=O)cc1 ZINC000538931758 1073168230 /nfs/dbraw/zinc/16/82/30/1073168230.db2.gz JURXPYPJSLGHLY-KRWDZBQOSA-N 0 3 443.508 -0.432 20 0 IBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)Nc1ccc(-n2ncn(C)c2=O)cc1 ZINC000538931761 1073168287 /nfs/dbraw/zinc/16/82/87/1073168287.db2.gz JURXPYPJSLGHLY-QGZVFWFLSA-N 0 3 443.508 -0.432 20 0 IBADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)Nc2ccc(-n3ncn(C)c3=O)cc2)CC1 ZINC000538933258 1073168776 /nfs/dbraw/zinc/16/87/76/1073168776.db2.gz VBVFVNFZXKWVDC-INIZCTEOSA-N 0 3 429.525 -0.101 20 0 IBADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)Nc2ccc(-n3ncn(C)c3=O)cc2)CC1 ZINC000538933276 1073168712 /nfs/dbraw/zinc/16/87/12/1073168712.db2.gz VBVFVNFZXKWVDC-MRXNPFEDSA-N 0 3 429.525 -0.101 20 0 IBADHN C[C@@H]1CN(CCOC2CCN(CC(=O)NCCCN(C)S(C)(=O)=O)CC2)C[C@H](C)O1 ZINC000539146597 1073174817 /nfs/dbraw/zinc/17/48/17/1073174817.db2.gz GYOFTTAZJOCJQA-HDICACEKSA-N 0 3 448.630 -0.026 20 0 IBADHN C[C@@H]1CN(CCOC2CCN(CC(=O)NCCCN(C)S(C)(=O)=O)CC2)C[C@@H](C)O1 ZINC000539146607 1073174912 /nfs/dbraw/zinc/17/49/12/1073174912.db2.gz GYOFTTAZJOCJQA-QZTJIDSGSA-N 0 3 448.630 -0.026 20 0 IBADHN C[C@H]1CN(CCOC2CCN(CC(=O)NCCCN(C)S(C)(=O)=O)CC2)C[C@H](C)O1 ZINC000539146610 1073174931 /nfs/dbraw/zinc/17/49/31/1073174931.db2.gz GYOFTTAZJOCJQA-ROUUACIJSA-N 0 3 448.630 -0.026 20 0 IBADHN CC(C)N1CCN([C@H]2CCN(C(=O)C(=O)Nc3cnn(CCN4CCOCC4)c3)C2)CC1 ZINC000539191079 1073183264 /nfs/dbraw/zinc/18/32/64/1073183264.db2.gz GXXFCXNQWKJLKN-FQEVSTJZSA-N 0 3 447.584 -0.219 20 0 IBADHN CC(C)N1CCN([C@@H]2CCN(C(=O)C(=O)Nc3cnn(CCN4CCOCC4)c3)C2)CC1 ZINC000539191080 1073183298 /nfs/dbraw/zinc/18/32/98/1073183298.db2.gz GXXFCXNQWKJLKN-HXUWFJFHSA-N 0 3 447.584 -0.219 20 0 IBADHN CN(C)CCn1c2cc(NC(=O)C(=O)N3CCN(C(C)(C)C(N)=O)CC3)ccc2oc1=O ZINC000539194812 1073183708 /nfs/dbraw/zinc/18/37/08/1073183708.db2.gz UGKUXZBQDIYOIU-UHFFFAOYSA-N 0 3 446.508 -0.497 20 0 IBADHN NC(=O)NC(=O)CCNC(=O)C(=O)Nc1ccnn1[C@H]1CCN(Cc2ccccc2)C1 ZINC000539195559 1073180790 /nfs/dbraw/zinc/18/07/90/1073180790.db2.gz BFKOHQIUBJAEAK-HNNXBMFYSA-N 0 3 427.465 -0.030 20 0 IBADHN NC(=O)NC(=O)CCNC(=O)C(=O)Nc1ccnn1[C@@H]1CCN(Cc2ccccc2)C1 ZINC000539195562 1073180804 /nfs/dbraw/zinc/18/08/04/1073180804.db2.gz BFKOHQIUBJAEAK-OAHLLOKOSA-N 0 3 427.465 -0.030 20 0 IBADHN CN(C)C(=O)COC1CN(C(=O)C(=O)Nc2cccc(CN3CCC(C(N)=O)CC3)c2)C1 ZINC000539199074 1073180855 /nfs/dbraw/zinc/18/08/55/1073180855.db2.gz XGLLFTSQPMBVAX-UHFFFAOYSA-N 0 3 445.520 -0.362 20 0 IBADHN CN(CCO)S(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)CN3CCCC3)CC2)cc1 ZINC000539514489 1072452678 /nfs/dbraw/zinc/45/26/78/1072452678.db2.gz MAZGUYFPIIDXRZ-UHFFFAOYSA-N 0 3 438.550 -0.320 20 0 IBADHN NS(=O)(=O)c1cnn(CC(=O)N2CCC[C@@H](CN3CCN(c4ccccn4)CC3)C2)c1 ZINC000539518022 1072453290 /nfs/dbraw/zinc/45/32/90/1072453290.db2.gz YMPFEGPAHJZUDP-KRWDZBQOSA-N 0 3 447.565 -0.014 20 0 IBADHN NS(=O)(=O)c1cnn(CC(=O)N2CCC[C@H](CN3CCN(c4ccccn4)CC3)C2)c1 ZINC000539518023 1072453230 /nfs/dbraw/zinc/45/32/30/1072453230.db2.gz YMPFEGPAHJZUDP-QGZVFWFLSA-N 0 3 447.565 -0.014 20 0 IBADHN CN(CCO)S(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)cc1 ZINC000539523274 1072454374 /nfs/dbraw/zinc/45/43/74/1072454374.db2.gz ZMWRUNKSTHYUKM-GOSISDBHSA-N 0 3 438.550 -0.322 20 0 IBADHN CN(CCO)S(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)cc1 ZINC000539523278 1072454603 /nfs/dbraw/zinc/45/46/03/1072454603.db2.gz ZMWRUNKSTHYUKM-SFHVURJKSA-N 0 3 438.550 -0.322 20 0 IBADHN CN(C(=O)c1ccc(NC(=O)C(=O)NCC(=O)N2CCOCC2)cc1)[C@@H]1CCCN(C)C1 ZINC000539582696 1072458522 /nfs/dbraw/zinc/45/85/22/1072458522.db2.gz PBLOYXSGHBDBEV-GOSISDBHSA-N 0 3 445.520 -0.234 20 0 IBADHN CN(C(=O)c1ccc(NC(=O)C(=O)NCC(=O)N2CCOCC2)cc1)[C@H]1CCCN(C)C1 ZINC000539582700 1072458638 /nfs/dbraw/zinc/45/86/38/1072458638.db2.gz PBLOYXSGHBDBEV-SFHVURJKSA-N 0 3 445.520 -0.234 20 0 IBADHN CCNS(=O)(=O)[C@@H]1CCN(c2cc(N3CC[C@H](S(=O)(=O)NCC)C3)nc(C)n2)C1 ZINC000540025245 1072478154 /nfs/dbraw/zinc/47/81/54/1072478154.db2.gz MMPOXRAPOKDCEW-GASCZTMLSA-N 0 3 446.599 -0.179 20 0 IBADHN CN(C)CCn1c2cc(NC(=O)C(=O)N3CC(OCC(=O)N(C)C)C3)ccc2oc1=O ZINC000540298781 1072487909 /nfs/dbraw/zinc/48/79/09/1072487909.db2.gz QDBPVCWSUOLACI-UHFFFAOYSA-N 0 3 433.465 -0.590 20 0 IBADHN CN(C)CCn1c2cc(NC(=O)C(=O)NC[C@H]3CC[C@@H](C(=O)N(C)C)O3)ccc2oc1=O ZINC000540367636 1072492739 /nfs/dbraw/zinc/49/27/39/1072492739.db2.gz WITSMZOREPZKOZ-PBHICJAKSA-N 0 3 447.492 -0.153 20 0 IBADHN CN(C)CCn1c2cc(NC(=O)C(=O)NC[C@H]3CC[C@H](C(=O)N(C)C)O3)ccc2oc1=O ZINC000540367645 1072493255 /nfs/dbraw/zinc/49/32/55/1072493255.db2.gz WITSMZOREPZKOZ-RHSMWYFYSA-N 0 3 447.492 -0.153 20 0 IBADHN CN(C)CCn1c2cc(NC(=O)C(=O)NC[C@@H]3CC[C@H](C(=O)N(C)C)O3)ccc2oc1=O ZINC000540367648 1072493270 /nfs/dbraw/zinc/49/32/70/1072493270.db2.gz WITSMZOREPZKOZ-WMLDXEAASA-N 0 3 447.492 -0.153 20 0 IBADHN CN(C)CCn1c2cc(NC(=O)C(=O)NC[C@@H]3CC[C@@H](C(=O)N(C)C)O3)ccc2oc1=O ZINC000540367650 1072493414 /nfs/dbraw/zinc/49/34/14/1072493414.db2.gz WITSMZOREPZKOZ-YOEHRIQHSA-N 0 3 447.492 -0.153 20 0 IBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)Nc2cc(-n3cnnn3)ccc2F)CC1 ZINC000540372426 1072493941 /nfs/dbraw/zinc/49/39/41/1072493941.db2.gz RJKCXEDIENQOLE-UHFFFAOYSA-N 0 3 432.460 -0.248 20 0 IBADHN O=C(CN1CCCC1)N1CCN(C(=O)C(=O)Nc2cc(-n3cnnn3)ccc2F)CC1 ZINC000540383352 1072495261 /nfs/dbraw/zinc/49/52/61/1072495261.db2.gz REAZZBZCFCXFJH-UHFFFAOYSA-N 0 3 430.444 -0.494 20 0 IBADHN CN(C)CCN1C[C@@H](C(=O)N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)CC1=O ZINC000540449452 1072499136 /nfs/dbraw/zinc/49/91/36/1072499136.db2.gz BWFYIOHPJRLJKO-HNNXBMFYSA-N 0 3 432.550 -0.190 20 0 IBADHN CN(C)CCN1C[C@H](C(=O)N2CCN(Cc3cc(=O)n4ccsc4n3)CC2)CC1=O ZINC000540449455 1072499181 /nfs/dbraw/zinc/49/91/81/1072499181.db2.gz BWFYIOHPJRLJKO-OAHLLOKOSA-N 0 3 432.550 -0.190 20 0 IBADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)Nc1ccnc(C(=O)N2CCN(C)CC2)c1 ZINC000540579050 1072506260 /nfs/dbraw/zinc/50/62/60/1072506260.db2.gz QZESWLSZYKHNEQ-GOSISDBHSA-N 0 3 446.552 -0.023 20 0 IBADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)Nc1ccnc(C(=O)N2CCN(C)CC2)c1 ZINC000540579052 1072506355 /nfs/dbraw/zinc/50/63/55/1072506355.db2.gz QZESWLSZYKHNEQ-SFHVURJKSA-N 0 3 446.552 -0.023 20 0 IBADHN CCN1CCN(CCC(=O)NC2CN(S(=O)(=O)c3ccc4c(c3)OCCO4)C2)CC1 ZINC000540795039 1072515974 /nfs/dbraw/zinc/51/59/74/1072515974.db2.gz KIAXZXSFTCTEIW-UHFFFAOYSA-N 0 3 438.550 -0.026 20 0 IBADHN CS(=O)(=O)N1CCN(S(=O)(=O)NCc2ccccc2CN2CCC(O)CC2)CC1 ZINC000540986345 1072523920 /nfs/dbraw/zinc/52/39/20/1072523920.db2.gz FGVSQLDEDBKIMQ-UHFFFAOYSA-N 0 3 446.595 -0.445 20 0 IBADHN Cc1cnn([C@H]2CCN(Cc3ccccc3)C2)c1NC(=O)C(=O)NCCS(N)(=O)=O ZINC000541017912 1072526201 /nfs/dbraw/zinc/52/62/01/1072526201.db2.gz AZGUWBNAVZGWEZ-INIZCTEOSA-N 0 3 434.522 -0.018 20 0 IBADHN Cc1cnn([C@@H]2CCN(Cc3ccccc3)C2)c1NC(=O)C(=O)NCCS(N)(=O)=O ZINC000541017915 1072526257 /nfs/dbraw/zinc/52/62/57/1072526257.db2.gz AZGUWBNAVZGWEZ-MRXNPFEDSA-N 0 3 434.522 -0.018 20 0 IBADHN C[C@@H](CNC(=O)C(=O)N1CCN(CCN(C)Cc2ccccc2)CC1)S(N)(=O)=O ZINC000541028165 1072525300 /nfs/dbraw/zinc/52/53/00/1072525300.db2.gz JHAGPVDPMGKSCS-INIZCTEOSA-N 0 3 425.555 -0.944 20 0 IBADHN C[C@H](CNC(=O)C(=O)N1CCN(CCN(C)Cc2ccccc2)CC1)S(N)(=O)=O ZINC000541028174 1072525338 /nfs/dbraw/zinc/52/53/38/1072525338.db2.gz JHAGPVDPMGKSCS-MRXNPFEDSA-N 0 3 425.555 -0.944 20 0 IBADHN CCN1CCN(Cc2ccc(CNC(=O)C(=O)NC[C@H](C)S(N)(=O)=O)cc2)CC1 ZINC000541031201 1072529089 /nfs/dbraw/zinc/52/90/89/1072529089.db2.gz YTJSXRQGPGEMAJ-HNNXBMFYSA-N 0 3 425.555 -0.767 20 0 IBADHN CCN1CCN(Cc2ccc(CNC(=O)C(=O)NC[C@@H](C)S(N)(=O)=O)cc2)CC1 ZINC000541031204 1072529041 /nfs/dbraw/zinc/52/90/41/1072529041.db2.gz YTJSXRQGPGEMAJ-OAHLLOKOSA-N 0 3 425.555 -0.767 20 0 IBADHN CNS(=O)(=O)[C@H]1CCCN(CC2(CN3CCC[C@H](S(=O)(=O)NC)C3)COC2)C1 ZINC000541069035 1072530588 /nfs/dbraw/zinc/53/05/88/1072530588.db2.gz ROMRHVDLEVCZNI-HOTGVXAUSA-N 0 3 438.616 -0.970 20 0 IBADHN CNS(=O)(=O)[C@@H]1CCCN(CC2(CN3CCC[C@@H](S(=O)(=O)NC)C3)COC2)C1 ZINC000541069038 1072530534 /nfs/dbraw/zinc/53/05/34/1072530534.db2.gz ROMRHVDLEVCZNI-HZPDHXFCSA-N 0 3 438.616 -0.970 20 0 IBADHN CNS(=O)(=O)[C@@H]1CCCN(CC2(CN3CCC[C@H](S(=O)(=O)NC)C3)COC2)C1 ZINC000541069040 1072530473 /nfs/dbraw/zinc/53/04/73/1072530473.db2.gz ROMRHVDLEVCZNI-IYBDPMFKSA-N 0 3 438.616 -0.970 20 0 IBADHN CCOC(=O)C1(O)CCN(CC2(CN3CCC(O)(C(=O)OCC)CC3)COC2)CC1 ZINC000541069668 1072530827 /nfs/dbraw/zinc/53/08/27/1072530827.db2.gz NORGPENILMJDCH-UHFFFAOYSA-N 0 3 428.526 -0.217 20 0 IBADHN C[C@@H]1CN(CC2CCN(C(=O)C(=O)Nc3ncn(CC(=O)N(C)C)n3)CC2)C[C@H](C)O1 ZINC000541140368 1072531922 /nfs/dbraw/zinc/53/19/22/1072531922.db2.gz IZOYLJRNCBEPKW-GASCZTMLSA-N 0 3 435.529 -0.347 20 0 IBADHN C[C@H]1CN(CC2CCN(C(=O)C(=O)Nc3ncn(CC(=O)N(C)C)n3)CC2)C[C@H](C)O1 ZINC000541140369 1073314381 /nfs/dbraw/zinc/31/43/81/1073314381.db2.gz IZOYLJRNCBEPKW-GJZGRUSLSA-N 0 3 435.529 -0.347 20 0 IBADHN C[C@@H]1CN(CC2CCN(C(=O)C(=O)Nc3ncn(CC(=O)N(C)C)n3)CC2)C[C@@H](C)O1 ZINC000541140370 1072531774 /nfs/dbraw/zinc/53/17/74/1072531774.db2.gz IZOYLJRNCBEPKW-HUUCEWRRSA-N 0 3 435.529 -0.347 20 0 IBADHN CNC(=O)Cn1cnc(NC(=O)C(=O)N2CCN(CCN(C)Cc3ccccc3)CC2)n1 ZINC000541140764 1074365100 /nfs/dbraw/zinc/36/51/00/1074365100.db2.gz LSBVBXHGFRNUDB-UHFFFAOYSA-N 0 3 442.524 -0.761 20 0 IBADHN C[C@@H](CNC(=O)C(=O)Nc1cccc2c1CCN2S(C)(=O)=O)CN1CCN(C)CC1 ZINC000541665102 1072545236 /nfs/dbraw/zinc/54/52/36/1072545236.db2.gz XGQZASHRQGHEGE-HNNXBMFYSA-N 0 3 437.566 -0.053 20 0 IBADHN C[C@H](CNC(=O)C(=O)Nc1cccc2c1CCN2S(C)(=O)=O)CN1CCN(C)CC1 ZINC000541665103 1072545356 /nfs/dbraw/zinc/54/53/56/1072545356.db2.gz XGQZASHRQGHEGE-OAHLLOKOSA-N 0 3 437.566 -0.053 20 0 IBADHN Cc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000541670571 1072546278 /nfs/dbraw/zinc/54/62/78/1072546278.db2.gz RQTSKQASVGLAJO-UHFFFAOYSA-N 0 3 431.537 -0.002 20 0 IBADHN COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)CNC(C)(C)CC(N)=O)CC2)c1 ZINC000541699166 1072550113 /nfs/dbraw/zinc/55/01/13/1072550113.db2.gz ODZQMTAMTLOKMT-UHFFFAOYSA-N 0 3 442.538 -0.220 20 0 IBADHN CN1CCN(CC2(C)CCN(S(=O)(=O)N3CCN(S(C)(=O)=O)CC3)CC2)CC1 ZINC000541828264 1072552868 /nfs/dbraw/zinc/55/28/68/1072552868.db2.gz ONYVNHJJBKFNAS-UHFFFAOYSA-N 0 3 437.632 -0.842 20 0 IBADHN C[C@@H](CNC(=O)C(=O)NCCCN1CCN(C)C[C@@H]1c1ccccc1)S(N)(=O)=O ZINC000541957927 1072558794 /nfs/dbraw/zinc/55/87/94/1072558794.db2.gz SLUGJAXLWSZVOW-DOTOQJQBSA-N 0 3 425.555 -0.725 20 0 IBADHN C[C@H](CNC(=O)C(=O)NCCCN1CCN(C)C[C@@H]1c1ccccc1)S(N)(=O)=O ZINC000541957928 1072558658 /nfs/dbraw/zinc/55/86/58/1072558658.db2.gz SLUGJAXLWSZVOW-NVXWUHKLSA-N 0 3 425.555 -0.725 20 0 IBADHN C[C@@H](CNC(=O)C(=O)NCCCN1CCN(C)C[C@H]1c1ccccc1)S(N)(=O)=O ZINC000541957929 1072558713 /nfs/dbraw/zinc/55/87/13/1072558713.db2.gz SLUGJAXLWSZVOW-RDJZCZTQSA-N 0 3 425.555 -0.725 20 0 IBADHN C[C@H](CNC(=O)C(=O)NCCCN1CCN(C)C[C@H]1c1ccccc1)S(N)(=O)=O ZINC000541957930 1072558529 /nfs/dbraw/zinc/55/85/29/1072558529.db2.gz SLUGJAXLWSZVOW-WBVHZDCISA-N 0 3 425.555 -0.725 20 0 IBADHN C[C@@H](CNC(=O)C(=O)NCCCN1CCN(Cc2ccccc2)CC1)S(N)(=O)=O ZINC000541959526 1072559346 /nfs/dbraw/zinc/55/93/46/1072559346.db2.gz FDBCRANKPMOQTA-INIZCTEOSA-N 0 3 425.555 -0.896 20 0 IBADHN C[C@H](CNC(=O)C(=O)NCCCN1CCN(Cc2ccccc2)CC1)S(N)(=O)=O ZINC000541959527 1072559236 /nfs/dbraw/zinc/55/92/36/1072559236.db2.gz FDBCRANKPMOQTA-MRXNPFEDSA-N 0 3 425.555 -0.896 20 0 IBADHN CCN1CCN(Cc2ccccc2CNC(=O)C(=O)NC[C@H](C)S(N)(=O)=O)CC1 ZINC000541960755 1072557516 /nfs/dbraw/zinc/55/75/16/1072557516.db2.gz WQFDQWSJOJGQBJ-HNNXBMFYSA-N 0 3 425.555 -0.767 20 0 IBADHN CCN1CCN(Cc2ccccc2CNC(=O)C(=O)NC[C@@H](C)S(N)(=O)=O)CC1 ZINC000541960756 1072557733 /nfs/dbraw/zinc/55/77/33/1072557733.db2.gz WQFDQWSJOJGQBJ-OAHLLOKOSA-N 0 3 425.555 -0.767 20 0 IBADHN O=C(CCN1CCN(c2ccccc2)CC1)N1CCN(S(=O)(=O)c2nc[nH]n2)CC1 ZINC000542470781 1072614280 /nfs/dbraw/zinc/61/42/80/1072614280.db2.gz FDXQGPIRUCYTGV-UHFFFAOYSA-N 0 3 433.538 -0.150 20 0 IBADHN CN1CCN(C(=O)c2cc(NC(=O)NCCCCN3CCN(CCO)CC3)ccn2)CC1 ZINC000542687521 1073134843 /nfs/dbraw/zinc/13/48/43/1073134843.db2.gz UTEPTVHAXJXQBD-UHFFFAOYSA-N 0 3 447.584 -0.019 20 0 IBADHN CN1CCN(CCCCNC(=O)N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)CC1 ZINC000542813532 1073146127 /nfs/dbraw/zinc/14/61/27/1073146127.db2.gz SNHLJFVLEYPOCZ-GOSISDBHSA-N 0 3 431.603 -0.150 20 0 IBADHN CN1CCN(CCCCNC(=O)N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)CC1 ZINC000542813533 1073146061 /nfs/dbraw/zinc/14/60/61/1073146061.db2.gz SNHLJFVLEYPOCZ-SFHVURJKSA-N 0 3 431.603 -0.150 20 0 IBADHN Cc1cccc(N2CCN(CCCCNC(=O)C(=O)NC[C@H](C)S(N)(=O)=O)CC2)c1 ZINC000542886537 1073153483 /nfs/dbraw/zinc/15/34/83/1073153483.db2.gz FOIDLHRYYBVZTF-KRWDZBQOSA-N 0 3 439.582 -0.193 20 0 IBADHN Cc1cccc(N2CCN(CCCCNC(=O)C(=O)NC[C@@H](C)S(N)(=O)=O)CC2)c1 ZINC000542886541 1073153461 /nfs/dbraw/zinc/15/34/61/1073153461.db2.gz FOIDLHRYYBVZTF-QGZVFWFLSA-N 0 3 439.582 -0.193 20 0 IBADHN CNC(=O)[C@@H]1CN(C(=O)C(=O)Nc2ccc(C(=O)N(C)[C@@H]3CCCN(C)C3)cc2)CCO1 ZINC000542898827 1073155562 /nfs/dbraw/zinc/15/55/62/1073155562.db2.gz JQEPMAVZHFTSBJ-MSOLQXFVSA-N 0 3 445.520 -0.235 20 0 IBADHN CNC(=O)[C@H]1CN(C(=O)C(=O)Nc2ccc(C(=O)N(C)[C@@H]3CCCN(C)C3)cc2)CCO1 ZINC000542898828 1073155527 /nfs/dbraw/zinc/15/55/27/1073155527.db2.gz JQEPMAVZHFTSBJ-QZTJIDSGSA-N 0 3 445.520 -0.235 20 0 IBADHN CNC(=O)[C@@H]1CN(C(=O)C(=O)Nc2ccc(C(=O)N(C)[C@H]3CCCN(C)C3)cc2)CCO1 ZINC000542898829 1073155435 /nfs/dbraw/zinc/15/54/35/1073155435.db2.gz JQEPMAVZHFTSBJ-ROUUACIJSA-N 0 3 445.520 -0.235 20 0 IBADHN CNC(=O)[C@H]1CN(C(=O)C(=O)Nc2ccc(C(=O)N(C)[C@H]3CCCN(C)C3)cc2)CCO1 ZINC000542898830 1073155609 /nfs/dbraw/zinc/15/56/09/1073155609.db2.gz JQEPMAVZHFTSBJ-ZWKOTPCHSA-N 0 3 445.520 -0.235 20 0 IBADHN NC(=O)c1cc(S(=O)(=O)NCC(=O)NCc2ccccc2C[N@H+]2CC[C@H](O)C2)c[n-]1 ZINC000542912937 1073158796 /nfs/dbraw/zinc/15/87/96/1073158796.db2.gz ZJNLSPQWKQZCRD-HNNXBMFYSA-N 0 3 435.506 -0.725 20 0 IBADHN NC(=O)c1cc(S(=O)(=O)NCC(=O)NCc2ccccc2C[N@@H+]2CC[C@H](O)C2)c[n-]1 ZINC000542912937 1073158794 /nfs/dbraw/zinc/15/87/94/1073158794.db2.gz ZJNLSPQWKQZCRD-HNNXBMFYSA-N 0 3 435.506 -0.725 20 0 IBADHN NC(=O)c1cc(S(=O)(=O)NCC(=O)NCc2ccccc2C[N@H+]2CC[C@@H](O)C2)c[n-]1 ZINC000542912938 1073158779 /nfs/dbraw/zinc/15/87/79/1073158779.db2.gz ZJNLSPQWKQZCRD-OAHLLOKOSA-N 0 3 435.506 -0.725 20 0 IBADHN NC(=O)c1cc(S(=O)(=O)NCC(=O)NCc2ccccc2C[N@@H+]2CC[C@@H](O)C2)c[n-]1 ZINC000542912938 1073158777 /nfs/dbraw/zinc/15/87/77/1073158777.db2.gz ZJNLSPQWKQZCRD-OAHLLOKOSA-N 0 3 435.506 -0.725 20 0 IBADHN CNS(=O)(=O)C[C@@H]1CCCN1CC1(CN2CCC[C@H]2CS(=O)(=O)NC)COC1 ZINC000542928983 1073160492 /nfs/dbraw/zinc/16/04/92/1073160492.db2.gz YIVZSPUIANDILY-HOTGVXAUSA-N 0 3 438.616 -0.970 20 0 IBADHN CNS(=O)(=O)C[C@H]1CCCN1CC1(CN2CCC[C@@H]2CS(=O)(=O)NC)COC1 ZINC000542928985 1073160391 /nfs/dbraw/zinc/16/03/91/1073160391.db2.gz YIVZSPUIANDILY-HZPDHXFCSA-N 0 3 438.616 -0.970 20 0 IBADHN CNC(=O)Cn1cnc(NC(=O)C(=O)NCCCN2CCN(Cc3ccccc3)CC2)n1 ZINC000543013568 1074369875 /nfs/dbraw/zinc/36/98/75/1074369875.db2.gz RXBMGIJNYUNYII-UHFFFAOYSA-N 0 3 442.524 -0.713 20 0 IBADHN Cn1ccnc1CN1CCC[C@H](NC(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1=O ZINC000543053624 1073194682 /nfs/dbraw/zinc/19/46/82/1073194682.db2.gz WUWCXLAHWVHJPT-KRWDZBQOSA-N 0 3 431.541 -0.139 20 0 IBADHN Cn1ccnc1CN1CCC[C@@H](NC(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1=O ZINC000543053625 1073194612 /nfs/dbraw/zinc/19/46/12/1073194612.db2.gz WUWCXLAHWVHJPT-QGZVFWFLSA-N 0 3 431.541 -0.139 20 0 IBADHN O=C(CN1CCCC1)N1CCN(C(=O)C(=O)Nc2ccccc2CN2CCNC2=O)CC1 ZINC000543520411 1073251697 /nfs/dbraw/zinc/25/16/97/1073251697.db2.gz DFKOPZQSYUHDAP-UHFFFAOYSA-N 0 3 442.520 -0.083 20 0 IBADHN CC(C)(CC(N)=O)NCC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000543524981 1073252979 /nfs/dbraw/zinc/25/29/79/1073252979.db2.gz RFAUBUZADHKBHG-UHFFFAOYSA-N 0 3 440.522 -0.466 20 0 IBADHN NC(=O)C1CCN(Cc2cccc(NC(=O)C(=O)N3CCN4CCOC[C@@H]4C3)c2)CC1 ZINC000543527087 1073253987 /nfs/dbraw/zinc/25/39/87/1073253987.db2.gz BUNSYLZDALNEEM-IBGZPJMESA-N 0 3 429.521 -0.135 20 0 IBADHN NC(=O)C1CCN(Cc2cccc(NC(=O)C(=O)N3CCN4CCOC[C@H]4C3)c2)CC1 ZINC000543527092 1073253839 /nfs/dbraw/zinc/25/38/39/1073253839.db2.gz BUNSYLZDALNEEM-LJQANCHMSA-N 0 3 429.521 -0.135 20 0 IBADHN CN(C(=O)c1ccc(NC(=O)C(=O)N2CCN(CCO)CC2)cc1)[C@H]1CCCN(C)C1 ZINC000543528233 1073254476 /nfs/dbraw/zinc/25/44/76/1073254476.db2.gz ROOLWJBLNVWBMX-IBGZPJMESA-N 0 3 431.537 -0.072 20 0 IBADHN CN(C(=O)c1ccc(NC(=O)C(=O)N2CCN(CCO)CC2)cc1)[C@@H]1CCCN(C)C1 ZINC000543528234 1073254323 /nfs/dbraw/zinc/25/43/23/1073254323.db2.gz ROOLWJBLNVWBMX-LJQANCHMSA-N 0 3 431.537 -0.072 20 0 IBADHN C[C@H](C(=O)N1CC[C@H](N(C(=O)[C@H](C)N2CCN(C)CC2)C2CC2)C1)N1CCN(C)CC1 ZINC000543578565 1073259586 /nfs/dbraw/zinc/25/95/86/1073259586.db2.gz NKHDCBZHFMSCSR-DYXWJJEUSA-N 0 3 434.629 -0.150 20 0 IBADHN C[C@H](C(=O)N(C1CC1)[C@H]1CCN(C(=O)[C@@H](C)N2CCN(C)CC2)C1)N1CCN(C)CC1 ZINC000543578566 1073259530 /nfs/dbraw/zinc/25/95/30/1073259530.db2.gz NKHDCBZHFMSCSR-SBHAEUEKSA-N 0 3 434.629 -0.150 20 0 IBADHN C[C@H](C(=O)N(C1CC1)[C@@H]1CCN(C(=O)[C@@H](C)N2CCN(C)CC2)C1)N1CCN(C)CC1 ZINC000543578567 1073259492 /nfs/dbraw/zinc/25/94/92/1073259492.db2.gz NKHDCBZHFMSCSR-SFHLNBCPSA-N 0 3 434.629 -0.150 20 0 IBADHN C[C@H](C(=O)N1CC[C@@H](N(C(=O)[C@H](C)N2CCN(C)CC2)C2CC2)C1)N1CCN(C)CC1 ZINC000543578568 1073259482 /nfs/dbraw/zinc/25/94/82/1073259482.db2.gz NKHDCBZHFMSCSR-SVFBPWRDSA-N 0 3 434.629 -0.150 20 0 IBADHN CS(=O)(=O)N1CCN(S(=O)(=O)NCc2ccccc2CN2CC[C@H](O)C2)CC1 ZINC000543771995 1074486584 /nfs/dbraw/zinc/48/65/84/1074486584.db2.gz DJSTWRDQAHPEPH-KRWDZBQOSA-N 0 3 432.568 -0.835 20 0 IBADHN CS(=O)(=O)N1CCN(S(=O)(=O)NCc2ccccc2CN2CC[C@@H](O)C2)CC1 ZINC000543771996 1074486536 /nfs/dbraw/zinc/48/65/36/1074486536.db2.gz DJSTWRDQAHPEPH-QGZVFWFLSA-N 0 3 432.568 -0.835 20 0 IBADHN C[C@@H](CNC(=O)C(=O)NCCCCN1CCN(c2ccccc2)CC1)S(N)(=O)=O ZINC000543818910 1074507808 /nfs/dbraw/zinc/50/78/08/1074507808.db2.gz NYGNMBPWDDSRFE-INIZCTEOSA-N 0 3 425.555 -0.502 20 0 IBADHN C[C@H](CNC(=O)C(=O)NCCCCN1CCN(c2ccccc2)CC1)S(N)(=O)=O ZINC000543818913 1074507786 /nfs/dbraw/zinc/50/77/86/1074507786.db2.gz NYGNMBPWDDSRFE-MRXNPFEDSA-N 0 3 425.555 -0.502 20 0 IBADHN CCNS(=O)(=O)[C@H]1CCN(CC2(CN3CC[C@H](S(=O)(=O)NCC)C3)COC2)C1 ZINC000543908470 1072643225 /nfs/dbraw/zinc/64/32/25/1072643225.db2.gz JEPGNPREUHARKK-HOTGVXAUSA-N 0 3 438.616 -0.970 20 0 IBADHN CCNS(=O)(=O)[C@@H]1CCN(CC2(CN3CC[C@@H](S(=O)(=O)NCC)C3)COC2)C1 ZINC000543908471 1072643301 /nfs/dbraw/zinc/64/33/01/1072643301.db2.gz JEPGNPREUHARKK-HZPDHXFCSA-N 0 3 438.616 -0.970 20 0 IBADHN CCNS(=O)(=O)[C@@H]1CCN(CC2(CN3CC[C@H](S(=O)(=O)NCC)C3)COC2)C1 ZINC000543908472 1072643260 /nfs/dbraw/zinc/64/32/60/1072643260.db2.gz JEPGNPREUHARKK-IYBDPMFKSA-N 0 3 438.616 -0.970 20 0 IBADHN Cn1ccnc1CN1CCC[C@H](NC(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)C1=O ZINC000543984498 1074516571 /nfs/dbraw/zinc/51/65/71/1074516571.db2.gz IUAYCZDWMBADJG-DLBZAZTESA-N 0 3 431.541 -0.141 20 0 IBADHN Cn1ccnc1CN1CCC[C@@H](NC(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)C1=O ZINC000543984499 1074516502 /nfs/dbraw/zinc/51/65/02/1074516502.db2.gz IUAYCZDWMBADJG-IAGOWNOFSA-N 0 3 431.541 -0.141 20 0 IBADHN Cn1ccnc1CN1CCC[C@H](NC(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1=O ZINC000543984500 1074516521 /nfs/dbraw/zinc/51/65/21/1074516521.db2.gz IUAYCZDWMBADJG-IRXDYDNUSA-N 0 3 431.541 -0.141 20 0 IBADHN Cn1ccnc1CN1CCC[C@@H](NC(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1=O ZINC000543984501 1074516635 /nfs/dbraw/zinc/51/66/35/1074516635.db2.gz IUAYCZDWMBADJG-SJORKVTESA-N 0 3 431.541 -0.141 20 0 IBADHN CN1CC[NH+]([C@H](C(=O)N2CCN(S(=O)(=O)c3nc[n-]n3)CC2)c2ccccc2)CC1 ZINC000544406970 1074537294 /nfs/dbraw/zinc/53/72/94/1074537294.db2.gz WOIMXPWFBGJSJT-KRWDZBQOSA-N 0 3 433.538 -0.374 20 0 IBADHN CN1CC[NH+]([C@@H](C(=O)N2CCN(S(=O)(=O)c3nc[n-]n3)CC2)c2ccccc2)CC1 ZINC000544406971 1074537216 /nfs/dbraw/zinc/53/72/16/1074537216.db2.gz WOIMXPWFBGJSJT-QGZVFWFLSA-N 0 3 433.538 -0.374 20 0 IBADHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000544498109 1074541605 /nfs/dbraw/zinc/54/16/05/1074541605.db2.gz GIZAUTWERQDMMI-UHFFFAOYSA-N 0 3 447.536 -0.302 20 0 IBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)Nc2ccccc2CN2CCNC2=O)CC1 ZINC000544530225 1074544055 /nfs/dbraw/zinc/54/40/55/1074544055.db2.gz SVLSPGLAOUYLQX-GOSISDBHSA-N 0 3 442.520 -0.085 20 0 IBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)Nc2ccccc2CN2CCNC2=O)CC1 ZINC000544530246 1074544104 /nfs/dbraw/zinc/54/41/04/1074544104.db2.gz SVLSPGLAOUYLQX-SFHVURJKSA-N 0 3 442.520 -0.085 20 0 IBADHN CCS(=O)(=O)N1CCC(CNC(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)CC1 ZINC000544688981 1074549389 /nfs/dbraw/zinc/54/93/89/1074549389.db2.gz AQKFFEWHVTVWOB-KRWDZBQOSA-N 0 3 429.587 -0.004 20 0 IBADHN CCS(=O)(=O)N1CCC(CNC(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)CC1 ZINC000544688984 1074549459 /nfs/dbraw/zinc/54/94/59/1074549459.db2.gz AQKFFEWHVTVWOB-QGZVFWFLSA-N 0 3 429.587 -0.004 20 0 IBADHN COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)NC[C@]1(O)CCN(C)C1 ZINC000545156789 1074568688 /nfs/dbraw/zinc/56/86/88/1074568688.db2.gz GZVGQSZEZYLGAK-GOSISDBHSA-N 0 3 428.511 -0.096 20 0 IBADHN COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)NC[C@@]1(O)CCN(C)C1 ZINC000545156790 1074568551 /nfs/dbraw/zinc/56/85/51/1074568551.db2.gz GZVGQSZEZYLGAK-SFHVURJKSA-N 0 3 428.511 -0.096 20 0 IBADHN CCS(=O)(=O)N1CCC(CNC(=O)N2CCN(C(=O)CN3CCCC3)CC2)CC1 ZINC000545332945 1074577813 /nfs/dbraw/zinc/57/78/13/1074577813.db2.gz CRXVKAMQYWMNCQ-UHFFFAOYSA-N 0 3 429.587 -0.002 20 0 IBADHN CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)NC[C@@]2(O)CCN(C)C2)c1 ZINC000545876746 1074600661 /nfs/dbraw/zinc/60/06/61/1074600661.db2.gz GAWOLMXAIUQIMG-IBGZPJMESA-N 0 3 441.554 -0.038 20 0 IBADHN CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)NC[C@]2(O)CCN(C)C2)c1 ZINC000545876747 1074600692 /nfs/dbraw/zinc/60/06/92/1074600692.db2.gz GAWOLMXAIUQIMG-LJQANCHMSA-N 0 3 441.554 -0.038 20 0 IBADHN COc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)NC[C@@]2(O)CCN(C)C2)c1OC ZINC000546570010 1074634053 /nfs/dbraw/zinc/63/40/53/1074634053.db2.gz QBOXNRKTJYSBQX-IBGZPJMESA-N 0 3 443.522 -0.479 20 0 IBADHN COc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)NC[C@]2(O)CCN(C)C2)c1OC ZINC000546570012 1074634207 /nfs/dbraw/zinc/63/42/07/1074634207.db2.gz QBOXNRKTJYSBQX-LJQANCHMSA-N 0 3 443.522 -0.479 20 0 IBADHN CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)NC[C@@]2(O)CCN(C)C2)c1 ZINC000546571797 1074634159 /nfs/dbraw/zinc/63/41/59/1074634159.db2.gz XLNPQHMKPCQTOO-IBGZPJMESA-N 0 3 426.539 -0.430 20 0 IBADHN CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)NC[C@]2(O)CCN(C)C2)c1 ZINC000546571798 1074634177 /nfs/dbraw/zinc/63/41/77/1074634177.db2.gz XLNPQHMKPCQTOO-LJQANCHMSA-N 0 3 426.539 -0.430 20 0 IBADHN COC(=O)c1cn([C@@H]2CCCN(CCCn3c(=O)c4c(ncn4C)n(C)c3=O)C2)nn1 ZINC000546585440 1074635192 /nfs/dbraw/zinc/63/51/92/1074635192.db2.gz NPRNSZOTSVEGEN-CYBMUJFWSA-N 0 3 430.469 -0.461 20 0 IBADHN COC(=O)c1cn([C@H]2CCCN(CCCn3c(=O)c4c(ncn4C)n(C)c3=O)C2)nn1 ZINC000546585441 1074635259 /nfs/dbraw/zinc/63/52/59/1074635259.db2.gz NPRNSZOTSVEGEN-ZDUSSCGKSA-N 0 3 430.469 -0.461 20 0 IBADHN COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)NC[C@@]2(O)CCN(C)C2)cc1 ZINC000547277790 1074659866 /nfs/dbraw/zinc/65/98/66/1074659866.db2.gz ALIRRAJIZNXGCK-IBGZPJMESA-N 0 3 429.539 -0.234 20 0 IBADHN COCCN(CCOC)S(=O)(=O)c1ccc(C(=O)NC[C@]2(O)CCN(C)C2)cc1 ZINC000547277791 1074659878 /nfs/dbraw/zinc/65/98/78/1074659878.db2.gz ALIRRAJIZNXGCK-LJQANCHMSA-N 0 3 429.539 -0.234 20 0 IBADHN CN(C)[C@@H](CNC(=O)CN1CCN(C(=O)C(=O)N2CCOCC2)CC1)c1ccccc1 ZINC000547464703 1074667984 /nfs/dbraw/zinc/66/79/84/1074667984.db2.gz JAIWCTTYIRWCHU-IBGZPJMESA-N 0 3 431.537 -0.592 20 0 IBADHN CN(C)[C@H](CNC(=O)CN1CCN(C(=O)C(=O)N2CCOCC2)CC1)c1ccccc1 ZINC000547464704 1074667970 /nfs/dbraw/zinc/66/79/70/1074667970.db2.gz JAIWCTTYIRWCHU-LJQANCHMSA-N 0 3 431.537 -0.592 20 0 IBADHN O=C(NCCCCN1CCN(CCO)CC1)N1CC(S(=O)(=O)NC2CCCC2)C1 ZINC000548517085 1071048775 /nfs/dbraw/zinc/04/87/75/1071048775.db2.gz LSOKNOBPUBKSSG-UHFFFAOYSA-N 0 3 431.603 -0.368 20 0 IBADHN CN1CCN(C(=O)c2cnn3c2C[C@@H](CNC(=O)[C@H]2CN4CCN2CCC4)CC3)CC1 ZINC000549703583 1071529292 /nfs/dbraw/zinc/52/92/92/1071529292.db2.gz HFTHTHCGMRLGHT-FXAWDEMLSA-N 0 3 429.569 -0.661 20 0 IBADHN CN1CCN(C(=O)c2cnn3c2C[C@@H](CNC(=O)[C@@H]2CN4CCN2CCC4)CC3)CC1 ZINC000549703588 1071529478 /nfs/dbraw/zinc/52/94/78/1071529478.db2.gz HFTHTHCGMRLGHT-PXNSSMCTSA-N 0 3 429.569 -0.661 20 0 IBADHN CN1CCN(C(=O)c2cnn3c2C[C@H](CNC(=O)[C@@H]2CN4CCN2CCC4)CC3)CC1 ZINC000549703589 1071529779 /nfs/dbraw/zinc/52/97/79/1071529779.db2.gz HFTHTHCGMRLGHT-XLIONFOSSA-N 0 3 429.569 -0.661 20 0 IBADHN CN1CCN(C(=O)c2cnn3c2C[C@H](CNC(=O)[C@H]2CN4CCN2CCC4)CC3)CC1 ZINC000549703590 1071529416 /nfs/dbraw/zinc/52/94/16/1071529416.db2.gz HFTHTHCGMRLGHT-YLJYHZDGSA-N 0 3 429.569 -0.661 20 0 IBADHN Cc1cc(NC(=O)CN2CCN(C(=O)C(=O)NCC(C)(C)N3CCCCC3)CC2)no1 ZINC000549967498 1071755909 /nfs/dbraw/zinc/75/59/09/1071755909.db2.gz RBLURAAVPQFZIF-UHFFFAOYSA-N 0 3 434.541 0.446 20 0 IBADHN CN(C)[C@@H](CNC(=O)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1)Cc1ccccc1 ZINC000550033542 1072144136 /nfs/dbraw/zinc/14/41/36/1072144136.db2.gz DFQGFFFNZQPLKU-GOSISDBHSA-N 0 3 429.521 -0.775 20 0 IBADHN CN(C)[C@H](CNC(=O)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1)Cc1ccccc1 ZINC000550033543 1072144182 /nfs/dbraw/zinc/14/41/82/1072144182.db2.gz DFQGFFFNZQPLKU-SFHVURJKSA-N 0 3 429.521 -0.775 20 0 IBADHN CN(C)[C@H](CNC(=O)C(=O)NCCS(=O)(=O)N1CCSCC1)Cc1ccccc1 ZINC000550036980 1072145511 /nfs/dbraw/zinc/14/55/11/1072145511.db2.gz RJNVAKFNYUBMEL-KRWDZBQOSA-N 0 3 442.607 -0.230 20 0 IBADHN CN(C)[C@@H](CNC(=O)C(=O)NCCS(=O)(=O)N1CCSCC1)Cc1ccccc1 ZINC000550036981 1072145531 /nfs/dbraw/zinc/14/55/31/1072145531.db2.gz RJNVAKFNYUBMEL-QGZVFWFLSA-N 0 3 442.607 -0.230 20 0 IBADHN CN(CCNC(=O)C(=O)NCc1ccccc1CS(=O)(=O)N1CCOCC1)C1CC1 ZINC000550236707 1072166393 /nfs/dbraw/zinc/16/63/93/1072166393.db2.gz VJDUZNKPULYCHI-UHFFFAOYSA-N 0 3 438.550 -0.325 20 0 IBADHN CC(C)[C@H](CNC(=O)C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C)N1CCOCC1 ZINC000550277536 1072171668 /nfs/dbraw/zinc/17/16/68/1072171668.db2.gz AAJVMYHMEHFRHG-MSOLQXFVSA-N 0 3 425.574 -0.482 20 0 IBADHN CC(C)[C@@H](CNC(=O)C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C)N1CCOCC1 ZINC000550277537 1072171605 /nfs/dbraw/zinc/17/16/05/1072171605.db2.gz AAJVMYHMEHFRHG-QZTJIDSGSA-N 0 3 425.574 -0.482 20 0 IBADHN CC(C)[C@H](CNC(=O)C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C)N1CCOCC1 ZINC000550277538 1072171647 /nfs/dbraw/zinc/17/16/47/1072171647.db2.gz AAJVMYHMEHFRHG-ROUUACIJSA-N 0 3 425.574 -0.482 20 0 IBADHN CC(C)[C@@H](CNC(=O)C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C)N1CCOCC1 ZINC000550277539 1072171514 /nfs/dbraw/zinc/17/15/14/1072171514.db2.gz AAJVMYHMEHFRHG-ZWKOTPCHSA-N 0 3 425.574 -0.482 20 0 IBADHN C[C@H]1CN(C(=O)C(=O)NCc2ccc(N3CCN(C)CC3)nc2)CCN1CC(C)(C)O ZINC000550294762 1072224796 /nfs/dbraw/zinc/22/47/96/1072224796.db2.gz MJJSNINHLSZSQP-KRWDZBQOSA-N 0 3 432.569 -0.247 20 0 IBADHN C[C@@H]1CN(C(=O)C(=O)NCc2ccc(N3CCN(C)CC3)nc2)CCN1CC(C)(C)O ZINC000550294763 1072225309 /nfs/dbraw/zinc/22/53/09/1072225309.db2.gz MJJSNINHLSZSQP-QGZVFWFLSA-N 0 3 432.569 -0.247 20 0 IBADHN C[C@H]1CN(CC(C)(C)O)CCN1C(=O)C(=O)NCc1ccc(N2CCN(C)CC2)nc1 ZINC000550295034 1072224819 /nfs/dbraw/zinc/22/48/19/1072224819.db2.gz QNWKFBHHWWTWPE-KRWDZBQOSA-N 0 3 432.569 -0.247 20 0 IBADHN C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)C(=O)NCc1ccc(N2CCN(C)CC2)nc1 ZINC000550295035 1072224732 /nfs/dbraw/zinc/22/47/32/1072224732.db2.gz QNWKFBHHWWTWPE-QGZVFWFLSA-N 0 3 432.569 -0.247 20 0 IBADHN CN(C)C(=O)c1ccc(CNC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)cc1 ZINC000550300154 1072225344 /nfs/dbraw/zinc/22/53/44/1072225344.db2.gz VTJLRLRHLYFJOG-GOSISDBHSA-N 0 3 429.521 -0.230 20 0 IBADHN CN(C)C(=O)c1ccc(CNC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)cc1 ZINC000550300156 1072225250 /nfs/dbraw/zinc/22/52/50/1072225250.db2.gz VTJLRLRHLYFJOG-SFHVURJKSA-N 0 3 429.521 -0.230 20 0 IBADHN CC(C)Nc1nc(NCCO)nc(N2CCN(C(=O)c3ccc4c(c3)OCO4)CC2)n1 ZINC000550337123 1072274614 /nfs/dbraw/zinc/27/46/14/1072274614.db2.gz ARVMYNYXPOGKBZ-UHFFFAOYSA-N 0 3 429.481 -0.369 20 0 IBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCc2ccc(S(C)(=O)=O)cc2)CC1 ZINC000550406337 1072286905 /nfs/dbraw/zinc/28/69/05/1072286905.db2.gz RFPQZRYDLIJNEY-KRWDZBQOSA-N 0 3 436.534 -0.529 20 0 IBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCc2ccc(S(C)(=O)=O)cc2)CC1 ZINC000550406339 1072287039 /nfs/dbraw/zinc/28/70/39/1072287039.db2.gz RFPQZRYDLIJNEY-QGZVFWFLSA-N 0 3 436.534 -0.529 20 0 IBADHN CN1CCN(CCNC(=O)C(=O)NCCCN2C(=O)NC3(CCCC3)C2=O)CC1(C)C ZINC000550423461 1072303995 /nfs/dbraw/zinc/30/39/95/1072303995.db2.gz XZIFBOQOTAYGHV-UHFFFAOYSA-N 0 3 436.557 -0.501 20 0 IBADHN CCN1CCC[C@H]1CNC(=O)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000550445226 1072327785 /nfs/dbraw/zinc/32/77/85/1072327785.db2.gz SCHNCRGVNPSQQW-KRWDZBQOSA-N 0 3 438.550 -0.076 20 0 IBADHN CCN1CCC[C@@H]1CNC(=O)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000550445227 1072328394 /nfs/dbraw/zinc/32/83/94/1072328394.db2.gz SCHNCRGVNPSQQW-QGZVFWFLSA-N 0 3 438.550 -0.076 20 0 IBADHN CCCS(=O)(=O)N1CCC(NC(=O)C(=O)NC[C@H](C)CN2CCN(CC)CC2)CC1 ZINC000550466947 1072491340 /nfs/dbraw/zinc/49/13/40/1072491340.db2.gz MBHADYILADPQDU-KRWDZBQOSA-N 0 3 445.630 -0.303 20 0 IBADHN CCCS(=O)(=O)N1CCC(NC(=O)C(=O)NC[C@@H](C)CN2CCN(CC)CC2)CC1 ZINC000550466948 1072491412 /nfs/dbraw/zinc/49/14/12/1072491412.db2.gz MBHADYILADPQDU-QGZVFWFLSA-N 0 3 445.630 -0.303 20 0 IBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NCc2cccc(NC(=O)COC)c2)CC1 ZINC000550467837 1072498640 /nfs/dbraw/zinc/49/86/40/1072498640.db2.gz XFKAZFCOGOWVAM-UHFFFAOYSA-N 0 3 447.536 -0.100 20 0 IBADHN CC1CCN(CCNC(=O)C(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)CC1 ZINC000550500420 1072504407 /nfs/dbraw/zinc/50/44/07/1072504407.db2.gz CIUOLDRCTYROIL-UHFFFAOYSA-N 0 3 429.521 -0.277 20 0 IBADHN CN(C)C(=O)COc1cccc(CNC(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)c1 ZINC000550501948 1072510560 /nfs/dbraw/zinc/51/05/60/1072510560.db2.gz ZBRPDCDKIZEMRZ-UHFFFAOYSA-N 0 3 433.553 -0.088 20 0 IBADHN O=C(CN1CCCC1)N1CCN(C(=O)C(=O)NCc2ccnc(N3CCOCC3)c2)CC1 ZINC000550504738 1072514145 /nfs/dbraw/zinc/51/41/45/1072514145.db2.gz ABESZVNWTBOTHO-UHFFFAOYSA-N 0 3 444.536 -0.699 20 0 IBADHN CN1CCN(c2cc(CNC(=O)C(=O)N3CCN(C4CCOCC4)CC3)ccn2)CC1 ZINC000550515482 1072517439 /nfs/dbraw/zinc/51/74/39/1072517439.db2.gz MERBFJYWHOTFAC-UHFFFAOYSA-N 0 3 430.553 -0.227 20 0 IBADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)NCc2ccc(N3CCOCC3)nc2)CC1 ZINC000550551827 1072523467 /nfs/dbraw/zinc/52/34/67/1072523467.db2.gz ADWZHCPAMXTKBD-GOSISDBHSA-N 0 3 432.569 -0.076 20 0 IBADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)NCc2ccc(N3CCOCC3)nc2)CC1 ZINC000550551829 1072523523 /nfs/dbraw/zinc/52/35/23/1072523523.db2.gz ADWZHCPAMXTKBD-SFHVURJKSA-N 0 3 432.569 -0.076 20 0 IBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)NCc1ccnc(-n2cccn2)c1 ZINC000550552175 1072523558 /nfs/dbraw/zinc/52/35/58/1072523558.db2.gz ATPWVBOPSQIKKX-KRWDZBQOSA-N 0 3 427.509 -0.058 20 0 IBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)NCc1ccnc(-n2cccn2)c1 ZINC000550552178 1072523591 /nfs/dbraw/zinc/52/35/91/1072523591.db2.gz ATPWVBOPSQIKKX-QGZVFWFLSA-N 0 3 427.509 -0.058 20 0 IBADHN O=C(CN1CCCC1)N1CCN(C(=O)C(=O)NCc2ccnc(-n3cccn3)c2)CC1 ZINC000550555045 1072523437 /nfs/dbraw/zinc/52/34/37/1072523437.db2.gz VMSHVYMRHFFUNJ-UHFFFAOYSA-N 0 3 425.493 -0.350 20 0 IBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCCc2nnc3n2CCCCC3)CC1 ZINC000550582805 1072528238 /nfs/dbraw/zinc/52/82/38/1072528238.db2.gz UVKFVCAIWFWPSF-INIZCTEOSA-N 0 3 431.541 -0.572 20 0 IBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCCc2nnc3n2CCCCC3)CC1 ZINC000550582806 1072528308 /nfs/dbraw/zinc/52/83/08/1072528308.db2.gz UVKFVCAIWFWPSF-MRXNPFEDSA-N 0 3 431.541 -0.572 20 0 IBADHN CCN1CCN(Cc2ccccc2CNC(=O)C(=O)NCc2cc(C(N)=O)no2)CC1 ZINC000550614011 1073005613 /nfs/dbraw/zinc/00/56/13/1073005613.db2.gz MWXLWAADDPSBMR-UHFFFAOYSA-N 0 3 428.493 -0.156 20 0 IBADHN CN(C)CCN(C)C(=O)C(=O)NCc1ccccc1CS(=O)(=O)N1CCOCC1 ZINC000550618977 1073006139 /nfs/dbraw/zinc/00/61/39/1073006139.db2.gz SGDDNFOYTPHRMB-UHFFFAOYSA-N 0 3 426.539 -0.515 20 0 IBADHN CCN1CCN(Cc2ccc(CNC(=O)C(=O)N3CC[C@H](NC(=O)NC)C3)cc2)CC1 ZINC000550639564 1073008012 /nfs/dbraw/zinc/00/80/12/1073008012.db2.gz OEQKCMNNPCOYJV-IBGZPJMESA-N 0 3 430.553 -0.030 20 0 IBADHN CCN1CCN(Cc2ccc(CNC(=O)C(=O)N3CC[C@@H](NC(=O)NC)C3)cc2)CC1 ZINC000550639565 1073008260 /nfs/dbraw/zinc/00/82/60/1073008260.db2.gz OEQKCMNNPCOYJV-LJQANCHMSA-N 0 3 430.553 -0.030 20 0 IBADHN CC1CCN(CCNC(=O)C(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)CC1 ZINC000550640114 1073008576 /nfs/dbraw/zinc/00/85/76/1073008576.db2.gz XBCJRFBWPDYKNU-UHFFFAOYSA-N 0 3 431.541 -0.520 20 0 IBADHN CN1CCN(C(=O)CCNC(=O)C(=O)NCCCN2CCN(c3ccccc3)CC2)CC1 ZINC000550645798 1073009707 /nfs/dbraw/zinc/00/97/07/1073009707.db2.gz LUMUGKLEAKACMV-UHFFFAOYSA-N 0 3 444.580 -0.405 20 0 IBADHN CN1CCN(C(=O)CCNC(=O)C(=O)NCC2(N3CCSCC3)CCCC2)CC1 ZINC000550646144 1073009760 /nfs/dbraw/zinc/00/97/60/1073009760.db2.gz YAUPYOJYRFXLLE-UHFFFAOYSA-N 0 3 425.599 -0.256 20 0 IBADHN CC1CCN(CCNC(=O)C(=O)N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)CC1 ZINC000550653515 1073010818 /nfs/dbraw/zinc/01/08/18/1073010818.db2.gz KEYLSLACCWZCEC-KRWDZBQOSA-N 0 3 430.571 -0.513 20 0 IBADHN CC1CCN(CCNC(=O)C(=O)N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)CC1 ZINC000550653516 1073010863 /nfs/dbraw/zinc/01/08/63/1073010863.db2.gz KEYLSLACCWZCEC-QGZVFWFLSA-N 0 3 430.571 -0.513 20 0 IBADHN COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)NCCN2CCC[C@H](C)C2)C1 ZINC000550663813 1073011865 /nfs/dbraw/zinc/01/18/65/1073011865.db2.gz MGOJDWCABGIGDG-DLBZAZTESA-N 0 3 432.587 -0.267 20 0 IBADHN COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)NCCN2CCC[C@@H](C)C2)C1 ZINC000550663814 1073012051 /nfs/dbraw/zinc/01/20/51/1073012051.db2.gz MGOJDWCABGIGDG-IAGOWNOFSA-N 0 3 432.587 -0.267 20 0 IBADHN COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)C(=O)NCCN2CCC[C@H](C)C2)C1 ZINC000550663815 1073012112 /nfs/dbraw/zinc/01/21/12/1073012112.db2.gz MGOJDWCABGIGDG-IRXDYDNUSA-N 0 3 432.587 -0.267 20 0 IBADHN COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)C(=O)NCCN2CCC[C@@H](C)C2)C1 ZINC000550663816 1073011776 /nfs/dbraw/zinc/01/17/76/1073011776.db2.gz MGOJDWCABGIGDG-SJORKVTESA-N 0 3 432.587 -0.267 20 0 IBADHN CN(C)C(=O)c1ccc(CNC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)cc1 ZINC000550672343 1073012852 /nfs/dbraw/zinc/01/28/52/1073012852.db2.gz HMBASEOXWPAIJP-UHFFFAOYSA-N 0 3 429.521 -0.229 20 0 IBADHN CN1CCN(c2ccc(CNC(=O)C(=O)N3CCN(C4CCOCC4)CC3)cn2)CC1 ZINC000550684772 1073015368 /nfs/dbraw/zinc/01/53/68/1073015368.db2.gz CGYPAXLDUXGPGF-UHFFFAOYSA-N 0 3 430.553 -0.227 20 0 IBADHN C[C@@H](CN1CCCCC1)NC(=O)C(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000550689571 1073015756 /nfs/dbraw/zinc/01/57/56/1073015756.db2.gz SFDXZVLZASGGPG-HNNXBMFYSA-N 0 3 427.527 -0.361 20 0 IBADHN C[C@H](CN1CCCCC1)NC(=O)C(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000550689572 1073015899 /nfs/dbraw/zinc/01/58/99/1073015899.db2.gz SFDXZVLZASGGPG-OAHLLOKOSA-N 0 3 427.527 -0.361 20 0 IBADHN CC(=O)NC[C@H]1CN(C(=O)C(=O)NCCCN2CCN(Cc3ccccc3)CC2)CCO1 ZINC000550691307 1073016532 /nfs/dbraw/zinc/01/65/32/1073016532.db2.gz DZLGSSATGWUKIV-NRFANRHFSA-N 0 3 445.564 -0.326 20 0 IBADHN CC(=O)NC[C@@H]1CN(C(=O)C(=O)NCCCN2CCN(Cc3ccccc3)CC2)CCO1 ZINC000550691308 1073016294 /nfs/dbraw/zinc/01/62/94/1073016294.db2.gz DZLGSSATGWUKIV-OAQYLSRUSA-N 0 3 445.564 -0.326 20 0 IBADHN COCC(=O)N1CCN(C(=O)C(=O)NCCCN2CCN(C)C[C@H]2c2ccccc2)CC1 ZINC000550694605 1073016273 /nfs/dbraw/zinc/01/62/73/1073016273.db2.gz JXZHHQQXVZGFIV-FQEVSTJZSA-N 0 3 445.564 -0.201 20 0 IBADHN COCC(=O)N1CCN(C(=O)C(=O)NCCCN2CCN(C)C[C@@H]2c2ccccc2)CC1 ZINC000550694606 1073016407 /nfs/dbraw/zinc/01/64/07/1073016407.db2.gz JXZHHQQXVZGFIV-HXUWFJFHSA-N 0 3 445.564 -0.201 20 0 IBADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)NCc2cccc(S(=O)(=O)NC)c2)CC1 ZINC000550695582 1073016747 /nfs/dbraw/zinc/01/67/47/1073016747.db2.gz TWHCMVYAFPSLPN-INIZCTEOSA-N 0 3 439.582 -0.399 20 0 IBADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)NCc2cccc(S(=O)(=O)NC)c2)CC1 ZINC000550695583 1073016889 /nfs/dbraw/zinc/01/68/89/1073016889.db2.gz TWHCMVYAFPSLPN-MRXNPFEDSA-N 0 3 439.582 -0.399 20 0 IBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NC2CCN(C(=O)c3ccco3)CC2)CC1 ZINC000550702150 1073017713 /nfs/dbraw/zinc/01/77/13/1073017713.db2.gz GGHALUHVPNHPDK-KRWDZBQOSA-N 0 3 445.520 -0.235 20 0 IBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NC2CCN(C(=O)c3ccco3)CC2)CC1 ZINC000550702151 1073017906 /nfs/dbraw/zinc/01/79/06/1073017906.db2.gz GGHALUHVPNHPDK-QGZVFWFLSA-N 0 3 445.520 -0.235 20 0 IBADHN O=C(NCCCN1CCc2ccccc2C1)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000550708622 1073017874 /nfs/dbraw/zinc/01/78/74/1073017874.db2.gz PUSIJBTXWFNWFI-UHFFFAOYSA-N 0 3 441.532 -0.500 20 0 IBADHN CNC(=O)[C@@H]1CN(C(=O)C(=O)NCCCN2CCN(Cc3ccccc3)CC2)CCO1 ZINC000550710324 1073018314 /nfs/dbraw/zinc/01/83/14/1073018314.db2.gz HJQSHGXDOJVLIR-IBGZPJMESA-N 0 3 431.537 -0.716 20 0 IBADHN CNC(=O)[C@H]1CN(C(=O)C(=O)NCCCN2CCN(Cc3ccccc3)CC2)CCO1 ZINC000550710325 1073018228 /nfs/dbraw/zinc/01/82/28/1073018228.db2.gz HJQSHGXDOJVLIR-LJQANCHMSA-N 0 3 431.537 -0.716 20 0 IBADHN C[C@@H](NC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1)c1nnc2n1CCCCC2 ZINC000550712369 1073018144 /nfs/dbraw/zinc/01/81/44/1073018144.db2.gz NXDPIQQZZACXMN-MRXNPFEDSA-N 0 3 431.541 -0.052 20 0 IBADHN CC(C)Nc1nc(NCCO)nc(N2CCC(NS(=O)(=O)c3cccs3)CC2)n1 ZINC000550729681 1073019073 /nfs/dbraw/zinc/01/90/73/1073019073.db2.gz CXVTVTUVWFGHRS-UHFFFAOYSA-N 0 3 441.583 -0.051 20 0 IBADHN COCCN1CCC(NC(=O)C(=O)NCc2ccccc2S(=O)(=O)N(C)C)CC1 ZINC000550734779 1073020233 /nfs/dbraw/zinc/02/02/33/1073020233.db2.gz VMHBJIDKEXCTET-UHFFFAOYSA-N 0 3 426.539 -0.220 20 0 IBADHN CC(C)Nc1nc(NCCO)nc(NC2CCN(CC(=O)Nc3ccccc3)CC2)n1 ZINC000550738113 1073020480 /nfs/dbraw/zinc/02/04/80/1073020480.db2.gz SVLPOSNBQRWLLY-UHFFFAOYSA-N 0 3 428.541 -0.123 20 0 IBADHN CC(C)Nc1nc(NCCO)nc(N2CCN(S(=O)(=O)Cc3ccccc3)CC2)n1 ZINC000550746683 1073021393 /nfs/dbraw/zinc/02/13/93/1073021393.db2.gz UVIAADHMESIAHE-UHFFFAOYSA-N 0 3 435.554 -0.408 20 0 IBADHN Cc1nc(NC(=O)C(=O)N2CCC[C@@H](CN3CCN(c4ccccn4)CC3)C2)nn1C ZINC000550751299 1073021808 /nfs/dbraw/zinc/02/18/08/1073021808.db2.gz UWNZMYPYWQETNX-KRWDZBQOSA-N 0 3 426.525 0.518 20 0 IBADHN Cc1nc(NC(=O)C(=O)N2CCC[C@H](CN3CCN(c4ccccn4)CC3)C2)nn1C ZINC000550751300 1073021840 /nfs/dbraw/zinc/02/18/40/1073021840.db2.gz UWNZMYPYWQETNX-QGZVFWFLSA-N 0 3 426.525 0.518 20 0 IBADHN COCCOc1ncccc1CNC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000550753270 1073021735 /nfs/dbraw/zinc/02/17/35/1073021735.db2.gz ITJABOWFQAXITM-UHFFFAOYSA-N 0 3 433.509 -0.510 20 0 IBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NC[C@H](CC(C)C)N2CCOCC2)CC1 ZINC000550755522 1073022047 /nfs/dbraw/zinc/02/20/47/1073022047.db2.gz AHMQTBHYIXZRMG-IBGZPJMESA-N 0 3 439.601 -0.138 20 0 IBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NC[C@@H](CC(C)C)N2CCOCC2)CC1 ZINC000550755527 1073022078 /nfs/dbraw/zinc/02/20/78/1073022078.db2.gz AHMQTBHYIXZRMG-LJQANCHMSA-N 0 3 439.601 -0.138 20 0 IBADHN CN(CCCN1CCN(C)CC1)C(=O)C(=O)NCCNS(=O)(=O)c1ccccc1 ZINC000550771109 1073024397 /nfs/dbraw/zinc/02/43/97/1073024397.db2.gz ZDVKAKQKDGVGJK-UHFFFAOYSA-N 0 3 425.555 -0.823 20 0 IBADHN COC(=O)CCN1CCN(C(=O)C(=O)NC[C@@H](C(C)C)N2CCN(C)CC2)[C@H](C)C1 ZINC000550778665 1073025843 /nfs/dbraw/zinc/02/58/43/1073025843.db2.gz KMZMWQCIRNJBKZ-MSOLQXFVSA-N 0 3 425.574 -0.530 20 0 IBADHN COC(=O)CCN1CCN(C(=O)C(=O)NC[C@H](C(C)C)N2CCN(C)CC2)[C@H](C)C1 ZINC000550778666 1073025528 /nfs/dbraw/zinc/02/55/28/1073025528.db2.gz KMZMWQCIRNJBKZ-QZTJIDSGSA-N 0 3 425.574 -0.530 20 0 IBADHN COC(=O)CCN1CCN(C(=O)C(=O)NC[C@@H](C(C)C)N2CCN(C)CC2)[C@@H](C)C1 ZINC000550778667 1073025317 /nfs/dbraw/zinc/02/53/17/1073025317.db2.gz KMZMWQCIRNJBKZ-ROUUACIJSA-N 0 3 425.574 -0.530 20 0 IBADHN COC(=O)CCN1CCN(C(=O)C(=O)NC[C@H](C(C)C)N2CCN(C)CC2)[C@@H](C)C1 ZINC000550778668 1073025376 /nfs/dbraw/zinc/02/53/76/1073025376.db2.gz KMZMWQCIRNJBKZ-ZWKOTPCHSA-N 0 3 425.574 -0.530 20 0 IBADHN C[C@@H](CN1CCN(c2ccccn2)CC1)NC(=O)C(=O)NCCCCN1CCN(C)CC1 ZINC000550779122 1073026778 /nfs/dbraw/zinc/02/67/78/1073026778.db2.gz UHCYIRLRRXAAPT-FQEVSTJZSA-N 0 3 445.612 -0.148 20 0 IBADHN C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)C(=O)NCCCCN1CCN(C)CC1 ZINC000550779123 1073026741 /nfs/dbraw/zinc/02/67/41/1073026741.db2.gz UHCYIRLRRXAAPT-HXUWFJFHSA-N 0 3 445.612 -0.148 20 0 IBADHN CN1CCN(CCCCNC(=O)C(=O)NC[C@@]2(N3CCOCC3)CCSC2)CC1 ZINC000550786010 1073028193 /nfs/dbraw/zinc/02/81/93/1073028193.db2.gz XWKBWIPUYFPRJB-FQEVSTJZSA-N 0 3 427.615 -0.546 20 0 IBADHN CN1CCN(CCCCNC(=O)C(=O)NC[C@]2(N3CCOCC3)CCSC2)CC1 ZINC000550786015 1073028397 /nfs/dbraw/zinc/02/83/97/1073028397.db2.gz XWKBWIPUYFPRJB-HXUWFJFHSA-N 0 3 427.615 -0.546 20 0 IBADHN CCCNC(=O)CN1CCC(NC(=O)C(=O)N2CCN(c3ccncc3OC)CC2)CC1 ZINC000550807945 1073031821 /nfs/dbraw/zinc/03/18/21/1073031821.db2.gz GQZWRVUSQIBHJH-UHFFFAOYSA-N 0 3 446.552 -0.154 20 0 IBADHN CCCNC(=O)CN1CCC(NC(=O)C(=O)N2CCN(C3CCOCC3)C[C@H]2C)CC1 ZINC000550808174 1073031630 /nfs/dbraw/zinc/03/16/30/1073031630.db2.gz MQIOIKVRFMZTTD-QGZVFWFLSA-N 0 3 437.585 -0.195 20 0 IBADHN CNC(=O)CN1CCC(NC(=O)C(=O)NCC2(N3CCSCC3)CCCC2)CC1 ZINC000550812029 1073032279 /nfs/dbraw/zinc/03/22/79/1073032279.db2.gz GNDHGUFZJCAEQU-UHFFFAOYSA-N 0 3 425.599 -0.209 20 0 IBADHN CNC(=O)CN1CCC(NC(=O)C(=O)NCC2(CN3CCOCC3)CCCCC2)CC1 ZINC000550813645 1073032463 /nfs/dbraw/zinc/03/24/63/1073032463.db2.gz XJDIQDKMLJLXMO-UHFFFAOYSA-N 0 3 437.585 -0.288 20 0 IBADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NCCN1CCN(c2ncccn2)CC1 ZINC000550824535 1073033175 /nfs/dbraw/zinc/03/31/75/1073033175.db2.gz KAXDONLNEXTBAS-GOSISDBHSA-N 0 3 433.557 -0.716 20 0 IBADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NCCN1CCN(c2ncccn2)CC1 ZINC000550824536 1073033385 /nfs/dbraw/zinc/03/33/85/1073033385.db2.gz KAXDONLNEXTBAS-SFHVURJKSA-N 0 3 433.557 -0.716 20 0 IBADHN COCCCNC(=O)[C@H](C)N1CCN(C(=O)C(=O)NC[C@@]2(N(C)C)CCSC2)CC1 ZINC000550838933 1073035022 /nfs/dbraw/zinc/03/50/22/1073035022.db2.gz OVGLPZNSBQDKTQ-JXFKEZNVSA-N 0 3 443.614 -0.775 20 0 IBADHN COCCCNC(=O)[C@H](C)N1CCN(C(=O)C(=O)NC[C@]2(N(C)C)CCSC2)CC1 ZINC000550838934 1073035067 /nfs/dbraw/zinc/03/50/67/1073035067.db2.gz OVGLPZNSBQDKTQ-OXJNMPFZSA-N 0 3 443.614 -0.775 20 0 IBADHN COCCCNC(=O)[C@@H](C)N1CCN(C(=O)C(=O)NC[C@]2(N(C)C)CCSC2)CC1 ZINC000550838935 1073034910 /nfs/dbraw/zinc/03/49/10/1073034910.db2.gz OVGLPZNSBQDKTQ-OXQOHEQNSA-N 0 3 443.614 -0.775 20 0 IBADHN COCCCNC(=O)[C@@H](C)N1CCN(C(=O)C(=O)NC[C@@]2(N(C)C)CCSC2)CC1 ZINC000550838936 1073034979 /nfs/dbraw/zinc/03/49/79/1073034979.db2.gz OVGLPZNSBQDKTQ-UZLBHIALSA-N 0 3 443.614 -0.775 20 0 IBADHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 ZINC000550873288 1073036715 /nfs/dbraw/zinc/03/67/15/1073036715.db2.gz YPUALNNRFZSNSI-MOPGFXCFSA-N 0 3 441.532 -0.040 20 0 IBADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)NCc2ccnc(N3CCOCC3)c2)CC1 ZINC000550887922 1073038291 /nfs/dbraw/zinc/03/82/91/1073038291.db2.gz LVZSQYABURCYDO-GOSISDBHSA-N 0 3 432.569 -0.076 20 0 IBADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)NCc2ccnc(N3CCOCC3)c2)CC1 ZINC000550887923 1073038840 /nfs/dbraw/zinc/03/88/40/1073038840.db2.gz LVZSQYABURCYDO-SFHVURJKSA-N 0 3 432.569 -0.076 20 0 IBADHN COCCN1CCC[C@H]1CNC(=O)C(=O)NCc1ccc(C(=O)N2CCN(C)CC2)cc1 ZINC000550888578 1073038695 /nfs/dbraw/zinc/03/86/95/1073038695.db2.gz HHKNPQHITNRSQS-FQEVSTJZSA-N 0 3 445.564 -0.083 20 0 IBADHN COCCN1CCC[C@@H]1CNC(=O)C(=O)NCc1ccc(C(=O)N2CCN(C)CC2)cc1 ZINC000550888579 1073038632 /nfs/dbraw/zinc/03/86/32/1073038632.db2.gz HHKNPQHITNRSQS-HXUWFJFHSA-N 0 3 445.564 -0.083 20 0 IBADHN CN(C)C(=O)COc1cccc(CNC(=O)C(=O)N(C)CCCN2CCN(C)CC2)c1 ZINC000550893074 1073039894 /nfs/dbraw/zinc/03/98/94/1073039894.db2.gz NPIDSWPMOCMZQU-UHFFFAOYSA-N 0 3 433.553 -0.134 20 0 IBADHN CC(C)N1CCCN(C(=O)C(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)CC1 ZINC000550895315 1073040436 /nfs/dbraw/zinc/04/04/36/1073040436.db2.gz OHXFIMVJEZVHAV-UHFFFAOYSA-N 0 3 429.521 -0.183 20 0 IBADHN O=C(NCc1ccc(C(=O)N2CCNC(=O)C2)cc1)C(=O)N1CC[C@H](N2CCCCC2)C1 ZINC000550896905 1073040895 /nfs/dbraw/zinc/04/08/95/1073040895.db2.gz SEBWKWYBSSGYCB-IBGZPJMESA-N 0 3 441.532 -0.038 20 0 IBADHN O=C(NCc1ccc(C(=O)N2CCNC(=O)C2)cc1)C(=O)N1CC[C@@H](N2CCCCC2)C1 ZINC000550896906 1073040884 /nfs/dbraw/zinc/04/08/84/1073040884.db2.gz SEBWKWYBSSGYCB-LJQANCHMSA-N 0 3 441.532 -0.038 20 0 IBADHN CC(C)CN(CCN(C)C)C(=O)C(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 ZINC000550897535 1073040857 /nfs/dbraw/zinc/04/08/57/1073040857.db2.gz UDAQSWZKCWNZPQ-UHFFFAOYSA-N 0 3 431.537 -0.079 20 0 IBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@H]2CCN(CC(F)(F)F)C2)CC1 ZINC000550903887 1073041570 /nfs/dbraw/zinc/04/15/70/1073041570.db2.gz LJMHYUXMCLQHIY-CABCVRRESA-N 0 3 433.475 -0.248 20 0 IBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@@H]2CCN(CC(F)(F)F)C2)CC1 ZINC000550903888 1073041736 /nfs/dbraw/zinc/04/17/36/1073041736.db2.gz LJMHYUXMCLQHIY-GJZGRUSLSA-N 0 3 433.475 -0.248 20 0 IBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@H]2CCN(CC(F)(F)F)C2)CC1 ZINC000550903889 1073041510 /nfs/dbraw/zinc/04/15/10/1073041510.db2.gz LJMHYUXMCLQHIY-HUUCEWRRSA-N 0 3 433.475 -0.248 20 0 IBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NC[C@@H]2CCN(CC(F)(F)F)C2)CC1 ZINC000550903890 1073041685 /nfs/dbraw/zinc/04/16/85/1073041685.db2.gz LJMHYUXMCLQHIY-LSDHHAIUSA-N 0 3 433.475 -0.248 20 0 IBADHN O=C(CN1CCCC1)N1CCN(C(=O)C(=O)NC2CCN(c3ccccn3)CC2)CC1 ZINC000550917457 1073043065 /nfs/dbraw/zinc/04/30/65/1073043065.db2.gz ORCSMJYFWNCRRJ-UHFFFAOYSA-N 0 3 428.537 -0.067 20 0 IBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)NCCS(=O)(=O)c1ccccc1 ZINC000550933333 1073044916 /nfs/dbraw/zinc/04/49/16/1073044916.db2.gz QJNVEIJKICWHIE-KRWDZBQOSA-N 0 3 438.550 -0.365 20 0 IBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)NCCS(=O)(=O)c1ccccc1 ZINC000550933334 1073044898 /nfs/dbraw/zinc/04/48/98/1073044898.db2.gz QJNVEIJKICWHIE-QGZVFWFLSA-N 0 3 438.550 -0.365 20 0 IBADHN O=C(CN1CCCC1)N1CCN(C(=O)C(=O)NCc2cccnc2N2CCOCC2)CC1 ZINC000550933462 1073044781 /nfs/dbraw/zinc/04/47/81/1073044781.db2.gz RXZNAINTAFSCMM-UHFFFAOYSA-N 0 3 444.536 -0.699 20 0 IBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NCc2ccnc(-n3cccn3)c2)CC1 ZINC000550942440 1073045257 /nfs/dbraw/zinc/04/52/57/1073045257.db2.gz NWMJAKPDESNFOC-UHFFFAOYSA-N 0 3 427.509 -0.104 20 0 IBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCc2ccnc(-n3cccn3)c2)CC1 ZINC000550944703 1073045741 /nfs/dbraw/zinc/04/57/41/1073045741.db2.gz LSSHYOZARPJCAG-KRWDZBQOSA-N 0 3 425.493 -0.352 20 0 IBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCc2ccnc(-n3cccn3)c2)CC1 ZINC000550944704 1073045651 /nfs/dbraw/zinc/04/56/51/1073045651.db2.gz LSSHYOZARPJCAG-QGZVFWFLSA-N 0 3 425.493 -0.352 20 0 IBADHN CCN1CCN(Cc2ccccc2CNC(=O)C(=O)N2CC[C@H](NC(=O)NC)C2)CC1 ZINC000550996826 1073050765 /nfs/dbraw/zinc/05/07/65/1073050765.db2.gz FCCOPGXWEXFPFZ-IBGZPJMESA-N 0 3 430.553 -0.030 20 0 IBADHN CCN1CCN(Cc2ccccc2CNC(=O)C(=O)N2CC[C@@H](NC(=O)NC)C2)CC1 ZINC000550996827 1073050541 /nfs/dbraw/zinc/05/05/41/1073050541.db2.gz FCCOPGXWEXFPFZ-LJQANCHMSA-N 0 3 430.553 -0.030 20 0 IBADHN CCN1CCN(Cc2ccc(CNC(=O)C(=O)N3CCO[C@H](C(=O)NC)C3)cc2)CC1 ZINC000550999200 1073051297 /nfs/dbraw/zinc/05/12/97/1073051297.db2.gz MNKDCWOVHOACDR-IBGZPJMESA-N 0 3 431.537 -0.586 20 0 IBADHN CCN1CCN(Cc2ccc(CNC(=O)C(=O)N3CCO[C@@H](C(=O)NC)C3)cc2)CC1 ZINC000550999201 1073051342 /nfs/dbraw/zinc/05/13/42/1073051342.db2.gz MNKDCWOVHOACDR-LJQANCHMSA-N 0 3 431.537 -0.586 20 0 IBADHN Cc1nc(S(=O)(=O)N2CCN(C(=O)C(=O)NCCN3CCC(C)CC3)CC2)cn1C ZINC000551016377 1073053551 /nfs/dbraw/zinc/05/35/51/1073053551.db2.gz OFIBECABYAKFFJ-UHFFFAOYSA-N 0 3 440.570 -0.590 20 0 IBADHN CC(C)OCCS(=O)(=O)N1CCN(C(=O)C(=O)NCCN2CCC(C)CC2)CC1 ZINC000551022030 1073053444 /nfs/dbraw/zinc/05/34/44/1073053444.db2.gz CJNCRXFXORVBBI-UHFFFAOYSA-N 0 3 432.587 -0.267 20 0 IBADHN C[C@H]1CCCN(CCNC(=O)C(=O)N2CCN(S(=O)(=O)Cc3ccon3)CC2)C1 ZINC000551039269 1073055939 /nfs/dbraw/zinc/05/59/39/1073055939.db2.gz MOIFYSDOUNHDAZ-HNNXBMFYSA-N 0 3 427.527 -0.503 20 0 IBADHN C[C@@H]1CCCN(CCNC(=O)C(=O)N2CCN(S(=O)(=O)Cc3ccon3)CC2)C1 ZINC000551039270 1073055995 /nfs/dbraw/zinc/05/59/95/1073055995.db2.gz MOIFYSDOUNHDAZ-OAHLLOKOSA-N 0 3 427.527 -0.503 20 0 IBADHN C[C@H]1CCCN(CCNC(=O)C(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)C1 ZINC000551039368 1073055970 /nfs/dbraw/zinc/05/59/70/1073055970.db2.gz GZSGDLDBFXURQH-INIZCTEOSA-N 0 3 429.521 -0.277 20 0 IBADHN C[C@@H]1CCCN(CCNC(=O)C(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)C1 ZINC000551039370 1073055754 /nfs/dbraw/zinc/05/57/54/1073055754.db2.gz GZSGDLDBFXURQH-MRXNPFEDSA-N 0 3 429.521 -0.277 20 0 IBADHN CC(C)OCCS(=O)(=O)N1CCN(C(=O)C(=O)NCCN2CCC[C@H](C)C2)CC1 ZINC000551041848 1073056402 /nfs/dbraw/zinc/05/64/02/1073056402.db2.gz GOTQOXJUDOGVTI-KRWDZBQOSA-N 0 3 432.587 -0.267 20 0 IBADHN CC(C)OCCS(=O)(=O)N1CCN(C(=O)C(=O)NCCN2CCC[C@@H](C)C2)CC1 ZINC000551041849 1073056367 /nfs/dbraw/zinc/05/63/67/1073056367.db2.gz GOTQOXJUDOGVTI-QGZVFWFLSA-N 0 3 432.587 -0.267 20 0 IBADHN COc1cccc(CN(CCN(C)C)C(=O)C(=O)NCCC(=O)N2CCN(C)CC2)c1 ZINC000551058502 1073057745 /nfs/dbraw/zinc/05/77/45/1073057745.db2.gz PHBAJOZEIUWPLP-UHFFFAOYSA-N 0 3 433.553 -0.134 20 0 IBADHN CN(C(=O)C(=O)NCCC(=O)N1CCN(C)CC1)C1CCN(CCc2ccccn2)CC1 ZINC000551062053 1073058684 /nfs/dbraw/zinc/05/86/84/1073058684.db2.gz HXWPJCJMUGKFLF-UHFFFAOYSA-N 0 3 444.580 -0.173 20 0 IBADHN CC(C)OCCS(=O)(=O)N1CCN(C(=O)C(=O)N[C@@H](C)CN2CCCCC2)CC1 ZINC000551071224 1073059566 /nfs/dbraw/zinc/05/95/66/1073059566.db2.gz MSJMOGOWAMYRBD-KRWDZBQOSA-N 0 3 432.587 -0.124 20 0 IBADHN CC(C)OCCS(=O)(=O)N1CCN(C(=O)C(=O)N[C@H](C)CN2CCCCC2)CC1 ZINC000551071226 1073059515 /nfs/dbraw/zinc/05/95/15/1073059515.db2.gz MSJMOGOWAMYRBD-QGZVFWFLSA-N 0 3 432.587 -0.124 20 0 IBADHN CNS(=O)(=O)c1cccc(CNC(=O)C(=O)N(CCN(C)C)C[C@@H]2CCCO2)c1 ZINC000551081515 1073059131 /nfs/dbraw/zinc/05/91/31/1073059131.db2.gz SLHQSWRMIFFKEN-INIZCTEOSA-N 0 3 426.539 -0.220 20 0 IBADHN CNS(=O)(=O)c1cccc(CNC(=O)C(=O)N(CCN(C)C)C[C@H]2CCCO2)c1 ZINC000551081518 1073059040 /nfs/dbraw/zinc/05/90/40/1073059040.db2.gz SLHQSWRMIFFKEN-MRXNPFEDSA-N 0 3 426.539 -0.220 20 0 IBADHN CN(C[C@H](O)CN1CCOCC1)C(=O)C(=O)NCCCN1CCN(c2ccccc2)CC1 ZINC000551093809 1073062638 /nfs/dbraw/zinc/06/26/38/1073062638.db2.gz RTADKRYORIKEEP-NRFANRHFSA-N 0 3 447.580 -0.534 20 0 IBADHN CN(C[C@@H](O)CN1CCOCC1)C(=O)C(=O)NCCCN1CCN(c2ccccc2)CC1 ZINC000551093816 1073062418 /nfs/dbraw/zinc/06/24/18/1073062418.db2.gz RTADKRYORIKEEP-OAQYLSRUSA-N 0 3 447.580 -0.534 20 0 IBADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N2CCN([C@@H](C)C(=O)NC3CC3)CC2)CC1 ZINC000551108431 1073062619 /nfs/dbraw/zinc/06/26/19/1073062619.db2.gz AXCGMYZTRCNHHA-MSOLQXFVSA-N 0 3 436.601 -0.813 20 0 IBADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N2CCN([C@H](C)C(=O)NC3CC3)CC2)CC1 ZINC000551108432 1073063102 /nfs/dbraw/zinc/06/31/02/1073063102.db2.gz AXCGMYZTRCNHHA-QZTJIDSGSA-N 0 3 436.601 -0.813 20 0 IBADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N2CCN([C@@H](C)C(=O)NC3CC3)CC2)CC1 ZINC000551108433 1073062882 /nfs/dbraw/zinc/06/28/82/1073062882.db2.gz AXCGMYZTRCNHHA-ROUUACIJSA-N 0 3 436.601 -0.813 20 0 IBADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N2CCN([C@H](C)C(=O)NC3CC3)CC2)CC1 ZINC000551108434 1073062981 /nfs/dbraw/zinc/06/29/81/1073062981.db2.gz AXCGMYZTRCNHHA-ZWKOTPCHSA-N 0 3 436.601 -0.813 20 0 IBADHN C[C@@H](CNC(=O)C(=O)N[C@@H](C)CN1CCN(c2ccccn2)CC1)CN1CCN(C)CC1 ZINC000551112890 1073063067 /nfs/dbraw/zinc/06/30/67/1073063067.db2.gz YNFRLTNYFNRSAC-PMACEKPBSA-N 0 3 445.612 -0.292 20 0 IBADHN C[C@H](CNC(=O)C(=O)N[C@@H](C)CN1CCN(c2ccccn2)CC1)CN1CCN(C)CC1 ZINC000551112891 1073062957 /nfs/dbraw/zinc/06/29/57/1073062957.db2.gz YNFRLTNYFNRSAC-UXHICEINSA-N 0 3 445.612 -0.292 20 0 IBADHN C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)C(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000551112892 1073063123 /nfs/dbraw/zinc/06/31/23/1073063123.db2.gz YNFRLTNYFNRSAC-VQTJNVASSA-N 0 3 445.612 -0.292 20 0 IBADHN C[C@H](CNC(=O)C(=O)N[C@H](C)CN1CCN(c2ccccn2)CC1)CN1CCN(C)CC1 ZINC000551112893 1073063047 /nfs/dbraw/zinc/06/30/47/1073063047.db2.gz YNFRLTNYFNRSAC-WOJBJXKFSA-N 0 3 445.612 -0.292 20 0 IBADHN C[C@@H](CNC(=O)C(=O)NCC(=O)N1CCN(c2ccccc2)CC1)CN1CCN(C)CC1 ZINC000551123028 1073063663 /nfs/dbraw/zinc/06/36/63/1073063663.db2.gz VKRFDORXPYBANU-IBGZPJMESA-N 0 3 444.580 -0.549 20 0 IBADHN C[C@H](CNC(=O)C(=O)NCC(=O)N1CCN(c2ccccc2)CC1)CN1CCN(C)CC1 ZINC000551123029 1073063539 /nfs/dbraw/zinc/06/35/39/1073063539.db2.gz VKRFDORXPYBANU-LJQANCHMSA-N 0 3 444.580 -0.549 20 0 IBADHN C[C@@H](CNC(=O)C(=O)NCc1cnc(N2CCOCC2)c(F)c1)CN1CCN(C)CC1 ZINC000551123741 1073063572 /nfs/dbraw/zinc/06/35/72/1073063572.db2.gz OPFZPJUKJZFEFP-INIZCTEOSA-N 0 3 436.532 -0.327 20 0 IBADHN C[C@H](CNC(=O)C(=O)NCc1cnc(N2CCOCC2)c(F)c1)CN1CCN(C)CC1 ZINC000551123742 1073063873 /nfs/dbraw/zinc/06/38/73/1073063873.db2.gz OPFZPJUKJZFEFP-MRXNPFEDSA-N 0 3 436.532 -0.327 20 0 IBADHN C[C@@H](CNC(=O)C(=O)N1CCC[C@@H](N2CCCS2(=O)=O)C1)CN1CCN(C)CC1 ZINC000551125682 1073064383 /nfs/dbraw/zinc/06/43/83/1073064383.db2.gz MZGPBVCEVRJSSI-DLBZAZTESA-N 0 3 429.587 -0.987 20 0 IBADHN C[C@H](CNC(=O)C(=O)N1CCC[C@@H](N2CCCS2(=O)=O)C1)CN1CCN(C)CC1 ZINC000551125699 1073063920 /nfs/dbraw/zinc/06/39/20/1073063920.db2.gz MZGPBVCEVRJSSI-IAGOWNOFSA-N 0 3 429.587 -0.987 20 0 IBADHN C[C@@H](CNC(=O)C(=O)N1CCC[C@H](N2CCCS2(=O)=O)C1)CN1CCN(C)CC1 ZINC000551125701 1073064012 /nfs/dbraw/zinc/06/40/12/1073064012.db2.gz MZGPBVCEVRJSSI-IRXDYDNUSA-N 0 3 429.587 -0.987 20 0 IBADHN C[C@H](CNC(=O)C(=O)N1CCC[C@H](N2CCCS2(=O)=O)C1)CN1CCN(C)CC1 ZINC000551125703 1073064138 /nfs/dbraw/zinc/06/41/38/1073064138.db2.gz MZGPBVCEVRJSSI-SJORKVTESA-N 0 3 429.587 -0.987 20 0 IBADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N2CCCC[C@H]2CCNS(C)(=O)=O)CC1 ZINC000551126567 1073064319 /nfs/dbraw/zinc/06/43/19/1073064319.db2.gz XBRNSRQDBFMBJE-MSOLQXFVSA-N 0 3 445.630 -0.303 20 0 IBADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N2CCCC[C@@H]2CCNS(C)(=O)=O)CC1 ZINC000551126568 1073063977 /nfs/dbraw/zinc/06/39/77/1073063977.db2.gz XBRNSRQDBFMBJE-QZTJIDSGSA-N 0 3 445.630 -0.303 20 0 IBADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N2CCCC[C@H]2CCNS(C)(=O)=O)CC1 ZINC000551126569 1073064050 /nfs/dbraw/zinc/06/40/50/1073064050.db2.gz XBRNSRQDBFMBJE-ROUUACIJSA-N 0 3 445.630 -0.303 20 0 IBADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N2CCCC[C@@H]2CCNS(C)(=O)=O)CC1 ZINC000551126570 1073064419 /nfs/dbraw/zinc/06/44/19/1073064419.db2.gz XBRNSRQDBFMBJE-ZWKOTPCHSA-N 0 3 445.630 -0.303 20 0 IBADHN COCCOc1ccc(CNC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)cn1 ZINC000551136356 1073066911 /nfs/dbraw/zinc/06/69/11/1073066911.db2.gz LTRRLHWMOPOAPP-KRWDZBQOSA-N 0 3 433.509 -0.512 20 0 IBADHN COCCOc1ccc(CNC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)cn1 ZINC000551136357 1073066818 /nfs/dbraw/zinc/06/68/18/1073066818.db2.gz LTRRLHWMOPOAPP-QGZVFWFLSA-N 0 3 433.509 -0.512 20 0 IBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N[C@H]2CCCN(c3ncccn3)C2)CC1 ZINC000551137516 1073066873 /nfs/dbraw/zinc/06/68/73/1073066873.db2.gz ZCLPCBIYXNCHTQ-KRWDZBQOSA-N 0 3 431.541 -0.426 20 0 IBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N[C@@H]2CCCN(c3ncccn3)C2)CC1 ZINC000551137517 1073066774 /nfs/dbraw/zinc/06/67/74/1073066774.db2.gz ZCLPCBIYXNCHTQ-QGZVFWFLSA-N 0 3 431.541 -0.426 20 0 IBADHN CCOc1ccnc(N2CCCN(C(=O)C(=O)NC[C@@H](C)CN3CCN(C)CC3)CC2)n1 ZINC000551150747 1073066000 /nfs/dbraw/zinc/06/60/00/1073066000.db2.gz FIUYFJONKLSFBD-GOSISDBHSA-N 0 3 447.584 -0.086 20 0 IBADHN CCOc1ccnc(N2CCCN(C(=O)C(=O)NC[C@H](C)CN3CCN(C)CC3)CC2)n1 ZINC000551150902 1073065924 /nfs/dbraw/zinc/06/59/24/1073065924.db2.gz FIUYFJONKLSFBD-SFHVURJKSA-N 0 3 447.584 -0.086 20 0 IBADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N2CCN(CCC(=O)OC)C[C@@H]2C)CC1 ZINC000551152366 1073066456 /nfs/dbraw/zinc/06/64/56/1073066456.db2.gz QRUPIGNDNACFRQ-MSOLQXFVSA-N 0 3 425.574 -0.528 20 0 IBADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N2CCN(CCC(=O)OC)C[C@H]2C)CC1 ZINC000551152368 1073066393 /nfs/dbraw/zinc/06/63/93/1073066393.db2.gz QRUPIGNDNACFRQ-QZTJIDSGSA-N 0 3 425.574 -0.528 20 0 IBADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N2CCN(CCC(=O)OC)C[C@@H]2C)CC1 ZINC000551152371 1073066275 /nfs/dbraw/zinc/06/62/75/1073066275.db2.gz QRUPIGNDNACFRQ-ROUUACIJSA-N 0 3 425.574 -0.528 20 0 IBADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N2CCN(CCC(=O)OC)C[C@H]2C)CC1 ZINC000551152374 1073066509 /nfs/dbraw/zinc/06/65/09/1073066509.db2.gz QRUPIGNDNACFRQ-ZWKOTPCHSA-N 0 3 425.574 -0.528 20 0 IBADHN CCN(CC)C(=O)CN1CCCN(C(=O)C(=O)NC[C@H](C)CN2CCN(C)CC2)CC1 ZINC000551152411 1073066588 /nfs/dbraw/zinc/06/65/88/1073066588.db2.gz OTUNKXTXYQZNDD-IBGZPJMESA-N 0 3 438.617 -0.611 20 0 IBADHN CCN(CC)C(=O)CN1CCCN(C(=O)C(=O)NC[C@@H](C)CN2CCN(C)CC2)CC1 ZINC000551152418 1073066421 /nfs/dbraw/zinc/06/64/21/1073066421.db2.gz OTUNKXTXYQZNDD-LJQANCHMSA-N 0 3 438.617 -0.611 20 0 IBADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N2CCN(c3nccc(OC)n3)CC2)CC1 ZINC000551153015 1073066095 /nfs/dbraw/zinc/06/60/95/1073066095.db2.gz VXKXWPKAAIHHOH-KRWDZBQOSA-N 0 3 433.557 -0.476 20 0 IBADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N2CCN(c3nccc(OC)n3)CC2)CC1 ZINC000551153208 1073066364 /nfs/dbraw/zinc/06/63/64/1073066364.db2.gz VXKXWPKAAIHHOH-QGZVFWFLSA-N 0 3 433.557 -0.476 20 0 IBADHN CCn1nccc1N1CCC[C@H](NC(=O)C(=O)NC[C@@H](C)CN2CCN(CC)CC2)C1=O ZINC000551153370 1073066330 /nfs/dbraw/zinc/06/63/30/1073066330.db2.gz WRAUJUWNXKHVJG-MSOLQXFVSA-N 0 3 447.584 -0.096 20 0 IBADHN CCn1nccc1N1CCC[C@@H](NC(=O)C(=O)NC[C@@H](C)CN2CCN(CC)CC2)C1=O ZINC000551153371 1073066348 /nfs/dbraw/zinc/06/63/48/1073066348.db2.gz WRAUJUWNXKHVJG-QZTJIDSGSA-N 0 3 447.584 -0.096 20 0 IBADHN CCn1nccc1N1CCC[C@H](NC(=O)C(=O)NC[C@H](C)CN2CCN(CC)CC2)C1=O ZINC000551153372 1073066484 /nfs/dbraw/zinc/06/64/84/1073066484.db2.gz WRAUJUWNXKHVJG-ROUUACIJSA-N 0 3 447.584 -0.096 20 0 IBADHN CCn1nccc1N1CCC[C@@H](NC(=O)C(=O)NC[C@H](C)CN2CCN(CC)CC2)C1=O ZINC000551153373 1073066536 /nfs/dbraw/zinc/06/65/36/1073066536.db2.gz WRAUJUWNXKHVJG-ZWKOTPCHSA-N 0 3 447.584 -0.096 20 0 IBADHN Cc1cccc(N2CCN(CCCNC(=O)C(=O)NC[C@H]3CN(C)CCN3C)CC2)c1 ZINC000551164654 1073068358 /nfs/dbraw/zinc/06/83/58/1073068358.db2.gz JHZKVTAZCJFRGO-NRFANRHFSA-N 0 3 430.597 -0.015 20 0 IBADHN CN1CCN(CCCCNC(=O)C(=O)NCC(=O)N2CCN(c3ccccc3)CC2)CC1 ZINC000551164674 1073068246 /nfs/dbraw/zinc/06/82/46/1073068246.db2.gz YEJLBELCJSDWNI-UHFFFAOYSA-N 0 3 444.580 -0.405 20 0 IBADHN Cc1cccc(N2CCN(CCCNC(=O)C(=O)NC[C@@H]3CN(C)CCN3C)CC2)c1 ZINC000551164858 1073068410 /nfs/dbraw/zinc/06/84/10/1073068410.db2.gz JHZKVTAZCJFRGO-OAQYLSRUSA-N 0 3 430.597 -0.015 20 0 IBADHN CNC(=O)CN1CCC(NC(=O)C(=O)NCCCN2CCN(c3ccccc3)CC2)CC1 ZINC000551187138 1073069829 /nfs/dbraw/zinc/06/98/29/1073069829.db2.gz BAMHLZVBYZFYRP-UHFFFAOYSA-N 0 3 444.580 -0.359 20 0 IBADHN CNC(=O)CN1CCC(NC(=O)C(=O)N2CCC(CCCN3CCOCC3)CC2)CC1 ZINC000551187906 1073069459 /nfs/dbraw/zinc/06/94/59/1073069459.db2.gz OVJQIWXXEXUKHJ-UHFFFAOYSA-N 0 3 437.585 -0.336 20 0 IBADHN CNC(=O)CN1CCC(NC(=O)C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)CC1 ZINC000551189228 1073069783 /nfs/dbraw/zinc/06/97/83/1073069783.db2.gz SWNVPFPVZZYMRV-FQEVSTJZSA-N 0 3 445.564 -0.280 20 0 IBADHN CNC(=O)CN1CCC(NC(=O)C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)CC1 ZINC000551189329 1073070609 /nfs/dbraw/zinc/07/06/09/1073070609.db2.gz SWNVPFPVZZYMRV-HXUWFJFHSA-N 0 3 445.564 -0.280 20 0 IBADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)NCCN2CCN(c3ncccn3)CC2)CC1 ZINC000551204145 1073072803 /nfs/dbraw/zinc/07/28/03/1073072803.db2.gz JJPGZTAQMFARCE-IBGZPJMESA-N 0 3 446.600 -0.895 20 0 IBADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)NCCN2CCN(c3ncccn3)CC2)CC1 ZINC000551204147 1073072648 /nfs/dbraw/zinc/07/26/48/1073072648.db2.gz JJPGZTAQMFARCE-LJQANCHMSA-N 0 3 446.600 -0.895 20 0 IBADHN COC1CCN(C(C)(C)CNC(=O)C(=O)NCCN2CCN(c3ncccn3)CC2)CC1 ZINC000551205050 1073072405 /nfs/dbraw/zinc/07/24/05/1073072405.db2.gz WWUAYHFLVYKZTQ-UHFFFAOYSA-N 0 3 447.584 -0.280 20 0 IBADHN CN(C)[C@@]1(CNC(=O)C(=O)N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)CCSC1 ZINC000551213363 1073073951 /nfs/dbraw/zinc/07/39/51/1073073951.db2.gz ORHCSGQYIFJHLU-CRAIPNDOSA-N 0 3 448.611 -0.807 20 0 IBADHN CN(C)[C@@]1(CNC(=O)C(=O)N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)CCSC1 ZINC000551213364 1073073822 /nfs/dbraw/zinc/07/38/22/1073073822.db2.gz ORHCSGQYIFJHLU-MAUKXSAKSA-N 0 3 448.611 -0.807 20 0 IBADHN CN(C)[C@]1(CNC(=O)C(=O)N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)CCSC1 ZINC000551213365 1073074068 /nfs/dbraw/zinc/07/40/68/1073074068.db2.gz ORHCSGQYIFJHLU-QAPCUYQASA-N 0 3 448.611 -0.807 20 0 IBADHN CN(C)[C@]1(CNC(=O)C(=O)N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)CCSC1 ZINC000551213366 1073074035 /nfs/dbraw/zinc/07/40/35/1073074035.db2.gz ORHCSGQYIFJHLU-YJBOKZPZSA-N 0 3 448.611 -0.807 20 0 IBADHN O=C(CN1CCCC1)N1CCN(C(=O)C(=O)NCc2ccccc2N2CCOCC2)CC1 ZINC000551214481 1073074010 /nfs/dbraw/zinc/07/40/10/1073074010.db2.gz FCQDYJJVUJPZFZ-UHFFFAOYSA-N 0 3 443.548 -0.094 20 0 IBADHN CN(C)[C@]1(CNC(=O)C(=O)N2CCC(CC(=O)N3CCN(C)CC3)CC2)CCSC1 ZINC000551219261 1073074324 /nfs/dbraw/zinc/07/43/24/1073074324.db2.gz SGVOORCQZZHLGW-NRFANRHFSA-N 0 3 439.626 -0.057 20 0 IBADHN CN(C)[C@@]1(CNC(=O)C(=O)N2CCC(CC(=O)N3CCN(C)CC3)CC2)CCSC1 ZINC000551219262 1073074422 /nfs/dbraw/zinc/07/44/22/1073074422.db2.gz SGVOORCQZZHLGW-OAQYLSRUSA-N 0 3 439.626 -0.057 20 0 IBADHN CN(C)[C@]1(CNC(=O)C(=O)NCCCN2CCN(c3ncccn3)CC2)CCSC1 ZINC000551223471 1073074688 /nfs/dbraw/zinc/07/46/88/1073074688.db2.gz SYKNGZARJQKWMJ-FQEVSTJZSA-N 0 3 435.598 -0.342 20 0 IBADHN CN(C)[C@@]1(CNC(=O)C(=O)NCCCN2CCN(c3ncccn3)CC2)CCSC1 ZINC000551223480 1073074854 /nfs/dbraw/zinc/07/48/54/1073074854.db2.gz SYKNGZARJQKWMJ-HXUWFJFHSA-N 0 3 435.598 -0.342 20 0 IBADHN C[C@@H]1CN(C(=O)C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)CCN(C2CCC2)C1 ZINC000551279536 1073354772 /nfs/dbraw/zinc/35/47/72/1073354772.db2.gz FKXYCFPSQAUNDA-INIZCTEOSA-N 0 3 432.525 0.013 20 0 IBADHN C[C@H]1CN(C(=O)C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)CCN(C2CCC2)C1 ZINC000551279537 1073312919 /nfs/dbraw/zinc/31/29/19/1073312919.db2.gz FKXYCFPSQAUNDA-MRXNPFEDSA-N 0 3 432.525 0.013 20 0 IBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NC[C@@H]2CCN(CC(F)(F)F)C2)CC1 ZINC000551281359 1073078786 /nfs/dbraw/zinc/07/87/86/1073078786.db2.gz DRNUDGGGURQUHC-HNNXBMFYSA-N 0 3 435.491 -0.001 20 0 IBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NC[C@H]2CCN(CC(F)(F)F)C2)CC1 ZINC000551281360 1073079067 /nfs/dbraw/zinc/07/90/67/1073079067.db2.gz DRNUDGGGURQUHC-OAHLLOKOSA-N 0 3 435.491 -0.001 20 0 IBADHN O=C(CN1CCCC1)N1CCN(C(=O)C(=O)NCCS(=O)(=O)c2ccccc2)CC1 ZINC000551308527 1073080627 /nfs/dbraw/zinc/08/06/27/1073080627.db2.gz MNTKJOIESXMEOX-UHFFFAOYSA-N 0 3 436.534 -0.657 20 0 IBADHN CCS(=O)(=O)N(C)CCCNC(=O)C(=O)N1CCN(c2ccncc2OC)CC1 ZINC000551322874 1073079832 /nfs/dbraw/zinc/07/98/32/1073079832.db2.gz VZSLGEAQFZBRKD-UHFFFAOYSA-N 0 3 427.527 -0.473 20 0 IBADHN CNC(=O)[C@@H]1CN(C(=O)C(=O)NCCCCN2CCN(Cc3ccccc3)CC2)CCO1 ZINC000551350131 1073081358 /nfs/dbraw/zinc/08/13/58/1073081358.db2.gz YKQNZXZZVIWOLR-FQEVSTJZSA-N 0 3 445.564 -0.326 20 0 IBADHN CNC(=O)[C@H]1CN(C(=O)C(=O)NCCCCN2CCN(Cc3ccccc3)CC2)CCO1 ZINC000551350132 1073081427 /nfs/dbraw/zinc/08/14/27/1073081427.db2.gz YKQNZXZZVIWOLR-HXUWFJFHSA-N 0 3 445.564 -0.326 20 0 IBADHN C[C@H]1C[C@H]1N1CCN(C(=O)C(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)C[C@@H](C)C1 ZINC000551371263 1073082095 /nfs/dbraw/zinc/08/20/95/1073082095.db2.gz TZFGAVMXRJPZOM-HEHGZKQESA-N 0 3 428.493 -0.241 20 0 IBADHN C[C@@H]1C[C@H]1N1CCN(C(=O)C(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)C[C@@H](C)C1 ZINC000551371264 1073082193 /nfs/dbraw/zinc/08/21/93/1073082193.db2.gz TZFGAVMXRJPZOM-WOSRLPQWSA-N 0 3 428.493 -0.241 20 0 IBADHN C[C@H]1C[C@@H]1N1CCN(C(=O)C(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)C[C@@H](C)C1 ZINC000551371265 1073081961 /nfs/dbraw/zinc/08/19/61/1073081961.db2.gz TZFGAVMXRJPZOM-XEZPLFJOSA-N 0 3 428.493 -0.241 20 0 IBADHN C[C@@H]1C[C@@H]1N1CCN(C(=O)C(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)C[C@@H](C)C1 ZINC000551371266 1073082347 /nfs/dbraw/zinc/08/23/47/1073082347.db2.gz TZFGAVMXRJPZOM-ZENOOKHLSA-N 0 3 428.493 -0.241 20 0 IBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)Nc2ccc3c(c2F)CCNC3=O)CC1 ZINC000551440188 1073085616 /nfs/dbraw/zinc/08/56/16/1073085616.db2.gz DKGQYDHQCXTIQC-INIZCTEOSA-N 0 3 431.468 -0.185 20 0 IBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)Nc2ccc3c(c2F)CCNC3=O)CC1 ZINC000551440191 1073085750 /nfs/dbraw/zinc/08/57/50/1073085750.db2.gz DKGQYDHQCXTIQC-MRXNPFEDSA-N 0 3 431.468 -0.185 20 0 IBADHN CCN(CC)C(=O)CN1CCN(C(=O)C(=O)NC[C@H](C)CN2CCN(CC)CC2)CC1 ZINC000551470347 1073088495 /nfs/dbraw/zinc/08/84/95/1073088495.db2.gz OZNKXCLFJBBSLQ-IBGZPJMESA-N 0 3 438.617 -0.611 20 0 IBADHN CCN(CC)C(=O)CN1CCN(C(=O)C(=O)NC[C@@H](C)CN2CCN(CC)CC2)CC1 ZINC000551470349 1073088709 /nfs/dbraw/zinc/08/87/09/1073088709.db2.gz OZNKXCLFJBBSLQ-LJQANCHMSA-N 0 3 438.617 -0.611 20 0 IBADHN CCn1nccc1N1CCC[C@@H](NC(=O)C(=O)NC[C@H](C)CN2CCN(C)CC2)C1=O ZINC000551480616 1073089111 /nfs/dbraw/zinc/08/91/11/1073089111.db2.gz UOJWPOCDWLDSTR-DLBZAZTESA-N 0 3 433.557 -0.486 20 0 IBADHN CCn1nccc1N1CCC[C@@H](NC(=O)C(=O)NC[C@@H](C)CN2CCN(C)CC2)C1=O ZINC000551480617 1073089272 /nfs/dbraw/zinc/08/92/72/1073089272.db2.gz UOJWPOCDWLDSTR-IAGOWNOFSA-N 0 3 433.557 -0.486 20 0 IBADHN CCn1nccc1N1CCC[C@H](NC(=O)C(=O)NC[C@H](C)CN2CCN(C)CC2)C1=O ZINC000551480618 1073088986 /nfs/dbraw/zinc/08/89/86/1073088986.db2.gz UOJWPOCDWLDSTR-IRXDYDNUSA-N 0 3 433.557 -0.486 20 0 IBADHN CCn1nccc1N1CCC[C@H](NC(=O)C(=O)NC[C@@H](C)CN2CCN(C)CC2)C1=O ZINC000551480619 1073088955 /nfs/dbraw/zinc/08/89/55/1073088955.db2.gz UOJWPOCDWLDSTR-SJORKVTESA-N 0 3 433.557 -0.486 20 0 IBADHN CNS(=O)(=O)c1ccc([C@H](C)NC(=O)C(=O)NC[C@@H](C)CN2CCN(C)CC2)cc1 ZINC000551480826 1073089069 /nfs/dbraw/zinc/08/90/69/1073089069.db2.gz QYOSTAMZSKDYPM-CVEARBPZSA-N 0 3 439.582 -0.228 20 0 IBADHN CNS(=O)(=O)c1ccc([C@H](C)NC(=O)C(=O)NC[C@H](C)CN2CCN(C)CC2)cc1 ZINC000551480827 1073089343 /nfs/dbraw/zinc/08/93/43/1073089343.db2.gz QYOSTAMZSKDYPM-HOTGVXAUSA-N 0 3 439.582 -0.228 20 0 IBADHN CNS(=O)(=O)c1ccc([C@@H](C)NC(=O)C(=O)NC[C@@H](C)CN2CCN(C)CC2)cc1 ZINC000551480828 1073089306 /nfs/dbraw/zinc/08/93/06/1073089306.db2.gz QYOSTAMZSKDYPM-HZPDHXFCSA-N 0 3 439.582 -0.228 20 0 IBADHN CNS(=O)(=O)c1ccc([C@@H](C)NC(=O)C(=O)NC[C@H](C)CN2CCN(C)CC2)cc1 ZINC000551480829 1073088372 /nfs/dbraw/zinc/08/83/72/1073088372.db2.gz QYOSTAMZSKDYPM-JKSUJKDBSA-N 0 3 439.582 -0.228 20 0 IBADHN CCOC(=O)c1ccc(N2CC(NC(=O)C(=O)NC[C@H](C)CN3CCN(C)CC3)C2)nc1 ZINC000551481289 1073088668 /nfs/dbraw/zinc/08/86/68/1073088668.db2.gz VQHQHSHURQTKQQ-INIZCTEOSA-N 0 3 446.552 -0.437 20 0 IBADHN CCOC(=O)c1ccc(N2CC(NC(=O)C(=O)NC[C@@H](C)CN3CCN(C)CC3)C2)nc1 ZINC000551481290 1073088623 /nfs/dbraw/zinc/08/86/23/1073088623.db2.gz VQHQHSHURQTKQQ-MRXNPFEDSA-N 0 3 446.552 -0.437 20 0 IBADHN C[C@@H](CNC(=O)C(=O)NCCNS(=O)(=O)c1ccccc1)CN1CCN(C)CC1 ZINC000551481474 1073089209 /nfs/dbraw/zinc/08/92/09/1073089209.db2.gz YEGMXOBQQVRRHW-INIZCTEOSA-N 0 3 425.555 -0.919 20 0 IBADHN C[C@H](CNC(=O)C(=O)NCCNS(=O)(=O)c1ccccc1)CN1CCN(C)CC1 ZINC000551481475 1073088908 /nfs/dbraw/zinc/08/89/08/1073088908.db2.gz YEGMXOBQQVRRHW-MRXNPFEDSA-N 0 3 425.555 -0.919 20 0 IBADHN C[C@@H](CNC(=O)C(=O)N1CCN(Cc2nccn2C(F)F)CC1)CN1CCN(C)CC1 ZINC000551484750 1073090258 /nfs/dbraw/zinc/09/02/58/1073090258.db2.gz HEJFOBYIFLURJE-INIZCTEOSA-N 0 3 441.527 -0.078 20 0 IBADHN C[C@H](CNC(=O)C(=O)N1CCN(Cc2nccn2C(F)F)CC1)CN1CCN(C)CC1 ZINC000551484751 1073090151 /nfs/dbraw/zinc/09/01/51/1073090151.db2.gz HEJFOBYIFLURJE-MRXNPFEDSA-N 0 3 441.527 -0.078 20 0 IBADHN COc1cccc(N2C[C@H](NC(=O)C(=O)NC[C@H](C)CN3CCN(C)CC3)CC2=O)c1 ZINC000551485170 1073090415 /nfs/dbraw/zinc/09/04/15/1073090415.db2.gz OUVKDEMBUSJVFD-DLBZAZTESA-N 0 3 431.537 -0.084 20 0 IBADHN COc1cccc(N2C[C@H](NC(=O)C(=O)NC[C@@H](C)CN3CCN(C)CC3)CC2=O)c1 ZINC000551485171 1073090197 /nfs/dbraw/zinc/09/01/97/1073090197.db2.gz OUVKDEMBUSJVFD-IAGOWNOFSA-N 0 3 431.537 -0.084 20 0 IBADHN COc1cccc(N2C[C@@H](NC(=O)C(=O)NC[C@H](C)CN3CCN(C)CC3)CC2=O)c1 ZINC000551485172 1073090315 /nfs/dbraw/zinc/09/03/15/1073090315.db2.gz OUVKDEMBUSJVFD-IRXDYDNUSA-N 0 3 431.537 -0.084 20 0 IBADHN COc1cccc(N2C[C@@H](NC(=O)C(=O)NC[C@@H](C)CN3CCN(C)CC3)CC2=O)c1 ZINC000551485173 1073090123 /nfs/dbraw/zinc/09/01/23/1073090123.db2.gz OUVKDEMBUSJVFD-SJORKVTESA-N 0 3 431.537 -0.084 20 0 IBADHN CCOC1CC(CNC(=O)C(=O)NC[C@@H](C)CN2CCN(C)CC2)(N2CCOCC2)C1 ZINC000551485238 1073089802 /nfs/dbraw/zinc/08/98/02/1073089802.db2.gz RAHZNFZVIMXDKV-FLPIEVNYSA-N 0 3 439.601 -0.628 20 0 IBADHN CCOC1CC(CNC(=O)C(=O)NC[C@H](C)CN2CCN(C)CC2)(N2CCOCC2)C1 ZINC000551485239 1073089580 /nfs/dbraw/zinc/08/95/80/1073089580.db2.gz RAHZNFZVIMXDKV-PGFLUOATSA-N 0 3 439.601 -0.628 20 0 IBADHN C[C@H](CNC(=O)C(=O)N(C)[C@@H](C)c1cccc(S(N)(=O)=O)c1)CN1CCN(C)CC1 ZINC000551485271 1073089655 /nfs/dbraw/zinc/08/96/55/1073089655.db2.gz ROKLWYYLNVOCOG-CVEARBPZSA-N 0 3 439.582 -0.147 20 0 IBADHN C[C@@H](CNC(=O)C(=O)N(C)[C@@H](C)c1cccc(S(N)(=O)=O)c1)CN1CCN(C)CC1 ZINC000551485272 1073089836 /nfs/dbraw/zinc/08/98/36/1073089836.db2.gz ROKLWYYLNVOCOG-HOTGVXAUSA-N 0 3 439.582 -0.147 20 0 IBADHN C[C@H](CNC(=O)C(=O)N(C)[C@H](C)c1cccc(S(N)(=O)=O)c1)CN1CCN(C)CC1 ZINC000551485273 1073089545 /nfs/dbraw/zinc/08/95/45/1073089545.db2.gz ROKLWYYLNVOCOG-HZPDHXFCSA-N 0 3 439.582 -0.147 20 0 IBADHN C[C@H](c1cccc(S(N)(=O)=O)c1)N(C)C(=O)C(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC000551485274 1073090503 /nfs/dbraw/zinc/09/05/03/1073090503.db2.gz ROKLWYYLNVOCOG-JKSUJKDBSA-N 0 3 439.582 -0.147 20 0 IBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)N[C@H]1CCCN(c2ncccn2)C1 ZINC000551496960 1073090796 /nfs/dbraw/zinc/09/07/96/1073090796.db2.gz RIDONRRCUBIQFU-DLBZAZTESA-N 0 3 431.541 -0.380 20 0 IBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)N[C@@H]1CCCN(c2ncccn2)C1 ZINC000551496961 1073090997 /nfs/dbraw/zinc/09/09/97/1073090997.db2.gz RIDONRRCUBIQFU-IAGOWNOFSA-N 0 3 431.541 -0.380 20 0 IBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)N[C@H]1CCCN(c2ncccn2)C1 ZINC000551497062 1073090708 /nfs/dbraw/zinc/09/07/08/1073090708.db2.gz RIDONRRCUBIQFU-IRXDYDNUSA-N 0 3 431.541 -0.380 20 0 IBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)N[C@@H]1CCCN(c2ncccn2)C1 ZINC000551497063 1073090660 /nfs/dbraw/zinc/09/06/60/1073090660.db2.gz RIDONRRCUBIQFU-SJORKVTESA-N 0 3 431.541 -0.380 20 0 IBADHN C[C@H](CNC(=O)C(=O)NCc1ccc(N2CCO[C@@H](C)C2)nc1)CN1CCN(C)CC1 ZINC000551503608 1073091770 /nfs/dbraw/zinc/09/17/70/1073091770.db2.gz NRTOVNTVARSQOE-MSOLQXFVSA-N 0 3 432.569 -0.077 20 0 IBADHN C[C@H](CNC(=O)C(=O)NCc1ccc(N2CCO[C@H](C)C2)nc1)CN1CCN(C)CC1 ZINC000551503609 1073091882 /nfs/dbraw/zinc/09/18/82/1073091882.db2.gz NRTOVNTVARSQOE-QZTJIDSGSA-N 0 3 432.569 -0.077 20 0 IBADHN C[C@@H](CNC(=O)C(=O)NCc1ccc(N2CCO[C@@H](C)C2)nc1)CN1CCN(C)CC1 ZINC000551503610 1073091944 /nfs/dbraw/zinc/09/19/44/1073091944.db2.gz NRTOVNTVARSQOE-ROUUACIJSA-N 0 3 432.569 -0.077 20 0 IBADHN C[C@@H](CNC(=O)C(=O)NCc1ccc(N2CCO[C@H](C)C2)nc1)CN1CCN(C)CC1 ZINC000551503611 1073091833 /nfs/dbraw/zinc/09/18/33/1073091833.db2.gz NRTOVNTVARSQOE-ZWKOTPCHSA-N 0 3 432.569 -0.077 20 0 IBADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N2CCN(c3ccc(C(N)=O)cn3)CC2)CC1 ZINC000551505166 1073092062 /nfs/dbraw/zinc/09/20/62/1073092062.db2.gz KQAVWQOYPAMGCG-KRWDZBQOSA-N 0 3 445.568 -0.781 20 0 IBADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N2CCN(c3ccc(C(N)=O)cn3)CC2)CC1 ZINC000551505167 1073091734 /nfs/dbraw/zinc/09/17/34/1073091734.db2.gz KQAVWQOYPAMGCG-QGZVFWFLSA-N 0 3 445.568 -0.781 20 0 IBADHN C[C@@H](CNC(=O)C(=O)NCc1ccccc1S(=O)(=O)N(C)C)CN1CCN(C)CC1 ZINC000551506149 1073092109 /nfs/dbraw/zinc/09/21/09/1073092109.db2.gz YYLDESVLVCQPMN-INIZCTEOSA-N 0 3 439.582 -0.447 20 0 IBADHN C[C@H](CNC(=O)C(=O)NCc1ccccc1S(=O)(=O)N(C)C)CN1CCN(C)CC1 ZINC000551506150 1073092001 /nfs/dbraw/zinc/09/20/01/1073092001.db2.gz YYLDESVLVCQPMN-MRXNPFEDSA-N 0 3 439.582 -0.447 20 0 IBADHN C[C@@H](CNC(=O)C(=O)N1CCN(CC(=O)N2CCCCC2)CC1)CN1CCN(C)CC1 ZINC000551508944 1073091435 /nfs/dbraw/zinc/09/14/35/1073091435.db2.gz YFLXHRBMAOGPMN-IBGZPJMESA-N 0 3 436.601 -0.857 20 0 IBADHN C[C@H](CNC(=O)C(=O)N1CCN(CC(=O)N2CCCCC2)CC1)CN1CCN(C)CC1 ZINC000551508953 1073091559 /nfs/dbraw/zinc/09/15/59/1073091559.db2.gz YFLXHRBMAOGPMN-LJQANCHMSA-N 0 3 436.601 -0.857 20 0 IBADHN CN(C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)N1CCN(c2nccn(C)c2=O)CC1 ZINC000551616926 1073096810 /nfs/dbraw/zinc/09/68/10/1073096810.db2.gz PEQLQBQVXMMDHF-GOSISDBHSA-N 0 3 426.521 -0.282 20 0 IBADHN CN(C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N1CCN(c2nccn(C)c2=O)CC1 ZINC000551616927 1073096949 /nfs/dbraw/zinc/09/69/49/1073096949.db2.gz PEQLQBQVXMMDHF-SFHVURJKSA-N 0 3 426.521 -0.282 20 0 IBADHN CN(C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 ZINC000551624081 1073097192 /nfs/dbraw/zinc/09/71/92/1073097192.db2.gz ZTEKWRAMXCZFDH-FQEVSTJZSA-N 0 3 445.564 -0.722 20 0 IBADHN CN(C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)N1CCN(C(=O)CN2CCOCC2)CC1 ZINC000551624082 1073097351 /nfs/dbraw/zinc/09/73/51/1073097351.db2.gz ZTEKWRAMXCZFDH-HXUWFJFHSA-N 0 3 445.564 -0.722 20 0 IBADHN COC(=O)c1cn(CCNC(=O)C(=O)Nc2ccc3oc(=O)n(CCN(C)C)c3c2)nn1 ZINC000551730093 1073102697 /nfs/dbraw/zinc/10/26/97/1073102697.db2.gz GLOYVMXJVMMZLS-UHFFFAOYSA-N 0 3 445.436 -0.711 20 0 IBADHN O=C(NC[C@H]1COCCO1)C(=O)N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000551785477 1073106046 /nfs/dbraw/zinc/10/60/46/1073106046.db2.gz XEASTIWEDVAPGZ-MOPGFXCFSA-N 0 3 431.537 -0.026 20 0 IBADHN O=C(NC[C@H]1COCCO1)C(=O)N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000551785478 1073105999 /nfs/dbraw/zinc/10/59/99/1073105999.db2.gz XEASTIWEDVAPGZ-OALUTQOASA-N 0 3 431.537 -0.026 20 0 IBADHN O=C(NC[C@@H]1COCCO1)C(=O)N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000551785479 1073106286 /nfs/dbraw/zinc/10/62/86/1073106286.db2.gz XEASTIWEDVAPGZ-RBUKOAKNSA-N 0 3 431.537 -0.026 20 0 IBADHN O=C(NC[C@@H]1COCCO1)C(=O)N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000551785480 1073106140 /nfs/dbraw/zinc/10/61/40/1073106140.db2.gz XEASTIWEDVAPGZ-RTBURBONSA-N 0 3 431.537 -0.026 20 0 IBADHN CC(C)N1CCN([C@@H]2CCN(C(=O)C(=O)NCCCn3nc4n(c3=O)CCCC4)C2)CC1 ZINC000551836088 1073109888 /nfs/dbraw/zinc/10/98/88/1073109888.db2.gz JSNWJCVZFJOQMJ-GOSISDBHSA-N 0 3 447.584 -0.486 20 0 IBADHN CC(C)N1CCN([C@H]2CCN(C(=O)C(=O)NCCCn3nc4n(c3=O)CCCC4)C2)CC1 ZINC000551836089 1073109848 /nfs/dbraw/zinc/10/98/48/1073109848.db2.gz JSNWJCVZFJOQMJ-SFHVURJKSA-N 0 3 447.584 -0.486 20 0 IBADHN CN(C)C[C@H](Cc1ccccc1)NC(=O)C(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000551843393 1073111463 /nfs/dbraw/zinc/11/14/63/1073111463.db2.gz BLPIWONEZAWVNH-KRWDZBQOSA-N 0 3 442.607 -0.230 20 0 IBADHN CN(C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000551843394 1073111475 /nfs/dbraw/zinc/11/14/75/1073111475.db2.gz BLPIWONEZAWVNH-QGZVFWFLSA-N 0 3 442.607 -0.230 20 0 IBADHN CCN(CCCNC(=O)C(=O)N1CC[C@H](N2CCN(C(C)C)CC2)C1)S(C)(=O)=O ZINC000551859027 1073110770 /nfs/dbraw/zinc/11/07/70/1073110770.db2.gz YLQZRYXHKGSKCL-KRWDZBQOSA-N 0 3 431.603 -0.599 20 0 IBADHN CCN(CCCNC(=O)C(=O)N1CC[C@@H](N2CCN(C(C)C)CC2)C1)S(C)(=O)=O ZINC000551859028 1073110805 /nfs/dbraw/zinc/11/08/05/1073110805.db2.gz YLQZRYXHKGSKCL-QGZVFWFLSA-N 0 3 431.603 -0.599 20 0 IBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N2C[C@H](C(=O)OC)Oc3ccccc32)CC1 ZINC000551977103 1073116729 /nfs/dbraw/zinc/11/67/29/1073116729.db2.gz AVFPPPMMRRZSEQ-GOSISDBHSA-N 0 3 446.504 -0.034 20 0 IBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N2C[C@@H](C(=O)OC)Oc3ccccc32)CC1 ZINC000551977104 1073116796 /nfs/dbraw/zinc/11/67/96/1073116796.db2.gz AVFPPPMMRRZSEQ-SFHVURJKSA-N 0 3 446.504 -0.034 20 0 IBADHN CN(CCN(CCN1CCCCC1)C(=O)[C@@H]1CN(C)CCO1)C(=O)[C@@H]1CN(C)CCO1 ZINC000552018661 1073146588 /nfs/dbraw/zinc/14/65/88/1073146588.db2.gz PZWOAXWUMPGOKD-PMACEKPBSA-N 0 3 439.601 -0.580 20 0 IBADHN CN(CCN(CCN1CCCCC1)C(=O)[C@@H]1CN(C)CCO1)C(=O)[C@H]1CN(C)CCO1 ZINC000552018662 1073146511 /nfs/dbraw/zinc/14/65/11/1073146511.db2.gz PZWOAXWUMPGOKD-UXHICEINSA-N 0 3 439.601 -0.580 20 0 IBADHN CN(CCN(CCN1CCCCC1)C(=O)[C@H]1CN(C)CCO1)C(=O)[C@@H]1CN(C)CCO1 ZINC000552018663 1073146625 /nfs/dbraw/zinc/14/66/25/1073146625.db2.gz PZWOAXWUMPGOKD-VQTJNVASSA-N 0 3 439.601 -0.580 20 0 IBADHN CN(CCN(CCN1CCCCC1)C(=O)[C@H]1CN(C)CCO1)C(=O)[C@H]1CN(C)CCO1 ZINC000552018664 1073146529 /nfs/dbraw/zinc/14/65/29/1073146529.db2.gz PZWOAXWUMPGOKD-WOJBJXKFSA-N 0 3 439.601 -0.580 20 0 IBADHN COCCN(C)CCN1C[C@@H](NC(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)CC1=O ZINC000552103357 1073194198 /nfs/dbraw/zinc/19/41/98/1073194198.db2.gz NTRXGXVIBPFDHO-TZQQIIETSA-N 0 3 437.541 -0.218 20 0 IBADHN COCCN(C)CCN1C[C@H](NC(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)CC1=O ZINC000552103358 1073194314 /nfs/dbraw/zinc/19/43/14/1073194314.db2.gz NTRXGXVIBPFDHO-ZGOJQLDESA-N 0 3 437.541 -0.218 20 0 IBADHN COCCN(C)CCN1C[C@@H](NC(=O)Cn2cc(Br)ccc2=O)CC1=O ZINC000552103522 1073194237 /nfs/dbraw/zinc/19/42/37/1073194237.db2.gz YEVRZKLQNKKHSX-AWEZNQCLSA-N 0 3 429.315 -0.094 20 0 IBADHN COCCN(C)CCN1C[C@H](NC(=O)Cn2cc(Br)ccc2=O)CC1=O ZINC000552103523 1073194266 /nfs/dbraw/zinc/19/42/66/1073194266.db2.gz YEVRZKLQNKKHSX-CQSZACIVSA-N 0 3 429.315 -0.094 20 0 IBADHN COCCN(C)CCN1C[C@@H](NC(=O)c2ccc(C[C@@H]3CC(=O)NC3=O)cc2)CC1=O ZINC000552106477 1073193304 /nfs/dbraw/zinc/19/33/04/1073193304.db2.gz GBDWUOQCNNMFNR-MSOLQXFVSA-N 0 3 430.505 -0.199 20 0 IBADHN COCCN(C)CCN1C[C@H](NC(=O)c2ccc(C[C@@H]3CC(=O)NC3=O)cc2)CC1=O ZINC000552106478 1073193354 /nfs/dbraw/zinc/19/33/54/1073193354.db2.gz GBDWUOQCNNMFNR-QZTJIDSGSA-N 0 3 430.505 -0.199 20 0 IBADHN COCCN(C)CCN1C[C@@H](NC(=O)c2ccc(C[C@H]3CC(=O)NC3=O)cc2)CC1=O ZINC000552106479 1073193359 /nfs/dbraw/zinc/19/33/59/1073193359.db2.gz GBDWUOQCNNMFNR-ROUUACIJSA-N 0 3 430.505 -0.199 20 0 IBADHN COCCN(C)CCN1C[C@H](NC(=O)c2ccc(C[C@H]3CC(=O)NC3=O)cc2)CC1=O ZINC000552106480 1073193326 /nfs/dbraw/zinc/19/33/26/1073193326.db2.gz GBDWUOQCNNMFNR-ZWKOTPCHSA-N 0 3 430.505 -0.199 20 0 IBADHN COCCN(C)CCN1C[C@H](NC(=O)CN2C(=O)N[C@@]3(CCCC[C@@H]3C)C2=O)CC1=O ZINC000552107963 1073193755 /nfs/dbraw/zinc/19/37/55/1073193755.db2.gz YPXBNPJMWHZPRI-GCKMJXCFSA-N 0 3 437.541 -0.218 20 0 IBADHN COCCN(C)CCN1C[C@H](NC(=O)CN2C(=O)N[C@]3(CCCC[C@@H]3C)C2=O)CC1=O ZINC000552107964 1073193614 /nfs/dbraw/zinc/19/36/14/1073193614.db2.gz YPXBNPJMWHZPRI-MRUHUIDDSA-N 0 3 437.541 -0.218 20 0 IBADHN COCCN(C)CCN1C[C@H](NC(=O)CN2C(=O)N[C@@]3(CCCC[C@H]3C)C2=O)CC1=O ZINC000552107965 1073193715 /nfs/dbraw/zinc/19/37/15/1073193715.db2.gz YPXBNPJMWHZPRI-WHSLLNHNSA-N 0 3 437.541 -0.218 20 0 IBADHN COCCN(C)CCN1C[C@H](NC(=O)CN2C(=O)N[C@]3(CCCC[C@H]3C)C2=O)CC1=O ZINC000552107966 1073193679 /nfs/dbraw/zinc/19/36/79/1073193679.db2.gz YPXBNPJMWHZPRI-ZOCZFRKYSA-N 0 3 437.541 -0.218 20 0 IBADHN CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N3C[C@H](O)[C@@H](N(C)C)C3)CC2)o1 ZINC000552156257 1073195211 /nfs/dbraw/zinc/19/52/11/1073195211.db2.gz ZOTMTIWVGJYLQR-GJZGRUSLSA-N 0 3 443.522 -0.010 20 0 IBADHN COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NC[C@]1(O)CN2CCC1CC2 ZINC000552210574 1073197471 /nfs/dbraw/zinc/19/74/71/1073197471.db2.gz KZPATMLQWNWODF-FQEVSTJZSA-N 0 3 439.534 -0.097 20 0 IBADHN COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NC[C@@]1(O)CN2CCC1CC2 ZINC000552210575 1073198105 /nfs/dbraw/zinc/19/81/05/1073198105.db2.gz KZPATMLQWNWODF-HXUWFJFHSA-N 0 3 439.534 -0.097 20 0 IBADHN CN1CCCN(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)CC1 ZINC000552227915 1073197557 /nfs/dbraw/zinc/19/75/57/1073197557.db2.gz YYMCHNQKILNMSI-UHFFFAOYSA-N 0 3 438.550 -0.072 20 0 IBADHN CN1CCN(c2ncccc2CNC(=O)C(=O)N2CCN(C3CCOCC3)CC2)CC1 ZINC000552316252 1073200755 /nfs/dbraw/zinc/20/07/55/1073200755.db2.gz INDFZKVDTZKYIX-UHFFFAOYSA-N 0 3 430.553 -0.227 20 0 IBADHN COCCCNC(=O)[C@H](C)N1CCN(C(=O)C(=O)NC[C@@H](C)N2CCC(C)CC2)CC1 ZINC000552341514 1073201438 /nfs/dbraw/zinc/20/14/38/1073201438.db2.gz YQJYDWUKPOQYCO-MOPGFXCFSA-N 0 3 439.601 -0.092 20 0 IBADHN COCCCNC(=O)[C@H](C)N1CCN(C(=O)C(=O)NC[C@H](C)N2CCC(C)CC2)CC1 ZINC000552341515 1073201448 /nfs/dbraw/zinc/20/14/48/1073201448.db2.gz YQJYDWUKPOQYCO-OALUTQOASA-N 0 3 439.601 -0.092 20 0 IBADHN COCCCNC(=O)[C@@H](C)N1CCN(C(=O)C(=O)NC[C@H](C)N2CCC(C)CC2)CC1 ZINC000552341516 1073201457 /nfs/dbraw/zinc/20/14/57/1073201457.db2.gz YQJYDWUKPOQYCO-RBUKOAKNSA-N 0 3 439.601 -0.092 20 0 IBADHN COCCCNC(=O)[C@@H](C)N1CCN(C(=O)C(=O)NC[C@@H](C)N2CCC(C)CC2)CC1 ZINC000552341517 1073201324 /nfs/dbraw/zinc/20/13/24/1073201324.db2.gz YQJYDWUKPOQYCO-RTBURBONSA-N 0 3 439.601 -0.092 20 0 IBADHN COCCN(C)CCN1C[C@H](NC(=O)[C@H]2CC=CC[C@H]2C(=O)N2CCOCC2)CC1=O ZINC000552346500 1073201279 /nfs/dbraw/zinc/20/12/79/1073201279.db2.gz PIRKPFXBYFYRDA-CEXWTWQISA-N 0 3 436.553 -0.277 20 0 IBADHN COCCN(C)CCN1C[C@H](NC(=O)[C@@H]2CC=CC[C@H]2C(=O)N2CCOCC2)CC1=O ZINC000552346501 1073201303 /nfs/dbraw/zinc/20/13/03/1073201303.db2.gz PIRKPFXBYFYRDA-GUDVDZBRSA-N 0 3 436.553 -0.277 20 0 IBADHN COCCN(C)CCN1C[C@H](NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)N2CCOCC2)CC1=O ZINC000552346502 1073201384 /nfs/dbraw/zinc/20/13/84/1073201384.db2.gz PIRKPFXBYFYRDA-QRVBRYPASA-N 0 3 436.553 -0.277 20 0 IBADHN COCCN(C)CCN1C[C@H](NC(=O)[C@H]2CC=CC[C@@H]2C(=O)N2CCOCC2)CC1=O ZINC000552346503 1073201425 /nfs/dbraw/zinc/20/14/25/1073201425.db2.gz PIRKPFXBYFYRDA-QYZOEREBSA-N 0 3 436.553 -0.277 20 0 IBADHN COCCN(C)CCN1C[C@@H](NC(=O)CCn2c(=O)[nH]c(=O)c3ccccc32)CC1=O ZINC000552351326 1073201879 /nfs/dbraw/zinc/20/18/79/1073201879.db2.gz USYLTONGVAJYOX-HNNXBMFYSA-N 0 3 431.493 -0.213 20 0 IBADHN COCCN(C)CCN1C[C@H](NC(=O)CCn2c(=O)[nH]c(=O)c3ccccc32)CC1=O ZINC000552351327 1073201855 /nfs/dbraw/zinc/20/18/55/1073201855.db2.gz USYLTONGVAJYOX-OAHLLOKOSA-N 0 3 431.493 -0.213 20 0 IBADHN CN(C)[C@H]1CN(C(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C[C@@H]1O ZINC000552439374 1073205183 /nfs/dbraw/zinc/20/51/83/1073205183.db2.gz JGBBEZGMJLVYRH-ROUUACIJSA-N 0 3 438.550 -0.567 20 0 IBADHN O=C(CN1CCCC1)N1CCN(C(=O)C(=O)NC2CCN(c3nccs3)CC2)CC1 ZINC000552470605 1073207444 /nfs/dbraw/zinc/20/74/44/1073207444.db2.gz AKCZAXAOAZKRJJ-UHFFFAOYSA-N 0 3 434.566 -0.005 20 0 IBADHN O=C(Cc1cccc(F)c1)NCCNC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000552590579 1073215865 /nfs/dbraw/zinc/21/58/65/1073215865.db2.gz OKZVMFBZJGUPAR-UHFFFAOYSA-N 0 3 447.511 -0.633 20 0 IBADHN C[C@H]1C[C@@H](NC(=O)C(=O)NCCC(=O)N2CCN(c3ccccn3)CC2)CN1C1CC1 ZINC000552591511 1073215486 /nfs/dbraw/zinc/21/54/86/1073215486.db2.gz CFOURRBRUHYHKJ-DLBZAZTESA-N 0 3 428.537 -0.022 20 0 IBADHN C[C@@H]1C[C@@H](NC(=O)C(=O)NCCC(=O)N2CCN(c3ccccn3)CC2)CN1C1CC1 ZINC000552591512 1073215569 /nfs/dbraw/zinc/21/55/69/1073215569.db2.gz CFOURRBRUHYHKJ-IAGOWNOFSA-N 0 3 428.537 -0.022 20 0 IBADHN C[C@H]1C[C@H](NC(=O)C(=O)NCCC(=O)N2CCN(c3ccccn3)CC2)CN1C1CC1 ZINC000552591513 1073215918 /nfs/dbraw/zinc/21/59/18/1073215918.db2.gz CFOURRBRUHYHKJ-IRXDYDNUSA-N 0 3 428.537 -0.022 20 0 IBADHN C[C@@H]1C[C@H](NC(=O)C(=O)NCCC(=O)N2CCN(c3ccccn3)CC2)CN1C1CC1 ZINC000552591514 1073215976 /nfs/dbraw/zinc/21/59/76/1073215976.db2.gz CFOURRBRUHYHKJ-SJORKVTESA-N 0 3 428.537 -0.022 20 0 IBADHN C[C@H]1CN(C(=O)C(=O)NCc2cccnc2N2CCN(C)CC2)CCN1CC(C)(C)O ZINC000552663446 1073220385 /nfs/dbraw/zinc/22/03/85/1073220385.db2.gz BETCPHBAOKFDCH-KRWDZBQOSA-N 0 3 432.569 -0.247 20 0 IBADHN C[C@@H]1CN(C(=O)C(=O)NCc2cccnc2N2CCN(C)CC2)CCN1CC(C)(C)O ZINC000552663447 1073220430 /nfs/dbraw/zinc/22/04/30/1073220430.db2.gz BETCPHBAOKFDCH-QGZVFWFLSA-N 0 3 432.569 -0.247 20 0 IBADHN C[C@H]1CN(CC(C)(C)O)CCN1C(=O)C(=O)NCc1cccnc1N1CCN(C)CC1 ZINC000552664109 1073220476 /nfs/dbraw/zinc/22/04/76/1073220476.db2.gz TXBNQPPVMKGEOJ-KRWDZBQOSA-N 0 3 432.569 -0.247 20 0 IBADHN C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)C(=O)NCc1cccnc1N1CCN(C)CC1 ZINC000552664110 1073220262 /nfs/dbraw/zinc/22/02/62/1073220262.db2.gz TXBNQPPVMKGEOJ-QGZVFWFLSA-N 0 3 432.569 -0.247 20 0 IBADHN C[C@@H](CNC(=O)C(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1)N1CCC(C)CC1 ZINC000552686475 1073221322 /nfs/dbraw/zinc/22/13/22/1073221322.db2.gz NORGJNUAFMXSAT-INIZCTEOSA-N 0 3 441.554 -0.115 20 0 IBADHN C[C@H](CNC(=O)C(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1)N1CCC(C)CC1 ZINC000552686476 1073221214 /nfs/dbraw/zinc/22/12/14/1073221214.db2.gz NORGJNUAFMXSAT-MRXNPFEDSA-N 0 3 441.554 -0.115 20 0 IBADHN CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 ZINC000552698313 1073224319 /nfs/dbraw/zinc/22/43/19/1073224319.db2.gz DACKNWQPNCMXJH-KRWDZBQOSA-N 0 3 445.568 -0.132 20 0 IBADHN CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 ZINC000552698314 1073224273 /nfs/dbraw/zinc/22/42/73/1073224273.db2.gz DACKNWQPNCMXJH-QGZVFWFLSA-N 0 3 445.568 -0.132 20 0 IBADHN CCN1CC[C@H]2CC[C@@H](C1)N2C(=O)C(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 ZINC000552700737 1073222664 /nfs/dbraw/zinc/22/26/64/1073222664.db2.gz CPYXMRRUAUAJEN-MSOLQXFVSA-N 0 3 443.552 -0.283 20 0 IBADHN C[C@@H](CNC(=O)C(=O)NCCC(=O)N1CCN(c2ncccn2)CC1)N1CCC[C@@H](C)C1 ZINC000552700840 1073222910 /nfs/dbraw/zinc/22/29/10/1073222910.db2.gz IFWZLOYMSHZGOO-MSOLQXFVSA-N 0 3 445.568 -0.132 20 0 IBADHN C[C@H](CNC(=O)C(=O)NCCC(=O)N1CCN(c2ncccn2)CC1)N1CCC[C@@H](C)C1 ZINC000552700841 1073222927 /nfs/dbraw/zinc/22/29/27/1073222927.db2.gz IFWZLOYMSHZGOO-QZTJIDSGSA-N 0 3 445.568 -0.132 20 0 IBADHN C[C@@H](CNC(=O)C(=O)NCCC(=O)N1CCN(c2ncccn2)CC1)N1CCC[C@H](C)C1 ZINC000552700842 1073222790 /nfs/dbraw/zinc/22/27/90/1073222790.db2.gz IFWZLOYMSHZGOO-ROUUACIJSA-N 0 3 445.568 -0.132 20 0 IBADHN C[C@H](CNC(=O)C(=O)NCCC(=O)N1CCN(c2ncccn2)CC1)N1CCC[C@H](C)C1 ZINC000552700843 1073222873 /nfs/dbraw/zinc/22/28/73/1073222873.db2.gz IFWZLOYMSHZGOO-ZWKOTPCHSA-N 0 3 445.568 -0.132 20 0 IBADHN CC(C)(C)N1CCCN(C(=O)C(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)CC1 ZINC000552701924 1073223457 /nfs/dbraw/zinc/22/34/57/1073223457.db2.gz JENLYAMWWFUJPZ-UHFFFAOYSA-N 0 3 445.568 -0.036 20 0 IBADHN O=C(NCCCCN1CCN(CCO)CC1)C(=O)NCc1ccc2c(c1)OCCCO2 ZINC000552743820 1073226074 /nfs/dbraw/zinc/22/60/74/1073226074.db2.gz URVQGOHLTXBOAO-UHFFFAOYSA-N 0 3 434.537 -0.030 20 0 IBADHN Cc1cc(N2CCC[C@@H](NC(=O)C(=O)NCCCN3CCC[C@H]3C(=O)N(C)C)C2)n(C)n1 ZINC000552801442 1073229387 /nfs/dbraw/zinc/22/93/87/1073229387.db2.gz GPPVIZMGHWYBGB-MSOLQXFVSA-N 0 3 447.584 -0.128 20 0 IBADHN Cc1cc(N2CCC[C@@H](NC(=O)C(=O)NCCCN3CCC[C@@H]3C(=O)N(C)C)C2)n(C)n1 ZINC000552801443 1073229428 /nfs/dbraw/zinc/22/94/28/1073229428.db2.gz GPPVIZMGHWYBGB-QZTJIDSGSA-N 0 3 447.584 -0.128 20 0 IBADHN Cc1cc(N2CCC[C@H](NC(=O)C(=O)NCCCN3CCC[C@H]3C(=O)N(C)C)C2)n(C)n1 ZINC000552801444 1073229548 /nfs/dbraw/zinc/22/95/48/1073229548.db2.gz GPPVIZMGHWYBGB-ROUUACIJSA-N 0 3 447.584 -0.128 20 0 IBADHN Cc1cc(N2CCC[C@H](NC(=O)C(=O)NCCCN3CCC[C@@H]3C(=O)N(C)C)C2)n(C)n1 ZINC000552801445 1073229560 /nfs/dbraw/zinc/22/95/60/1073229560.db2.gz GPPVIZMGHWYBGB-ZWKOTPCHSA-N 0 3 447.584 -0.128 20 0 IBADHN Cc1cc(N2CCC(NC(=O)C(=O)NCCCN3CCC[C@H]3C(=O)N(C)C)CC2)n[nH]1 ZINC000552802112 1073229842 /nfs/dbraw/zinc/22/98/42/1073229842.db2.gz YOPKNKVGWPMLKD-KRWDZBQOSA-N 0 3 433.557 -0.138 20 0 IBADHN Cc1cc(N2CCC(NC(=O)C(=O)NCCCN3CCC[C@@H]3C(=O)N(C)C)CC2)n[nH]1 ZINC000552802113 1073230010 /nfs/dbraw/zinc/23/00/10/1073230010.db2.gz YOPKNKVGWPMLKD-QGZVFWFLSA-N 0 3 433.557 -0.138 20 0 IBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)N1CCN(Cc2ccccn2)CC1 ZINC000552802560 1073230060 /nfs/dbraw/zinc/23/00/60/1073230060.db2.gz ABEULVIAAOTDRK-IBGZPJMESA-N 0 3 430.553 -0.215 20 0 IBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)N1CCN(Cc2ccccn2)CC1 ZINC000552802561 1073229916 /nfs/dbraw/zinc/22/99/16/1073229916.db2.gz ABEULVIAAOTDRK-LJQANCHMSA-N 0 3 430.553 -0.215 20 0 IBADHN CCN1CCN(C(=O)C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)C[C@@H]1c1ncc[nH]1 ZINC000552802883 1073229964 /nfs/dbraw/zinc/22/99/64/1073229964.db2.gz IDKVQXUGHQHPQH-DLBZAZTESA-N 0 3 433.557 -0.326 20 0 IBADHN CCN1CCN(C(=O)C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)C[C@@H]1c1ncc[nH]1 ZINC000552802884 1073230628 /nfs/dbraw/zinc/23/06/28/1073230628.db2.gz IDKVQXUGHQHPQH-IAGOWNOFSA-N 0 3 433.557 -0.326 20 0 IBADHN CCN1CCN(C(=O)C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)C[C@H]1c1ncc[nH]1 ZINC000552802885 1073230569 /nfs/dbraw/zinc/23/05/69/1073230569.db2.gz IDKVQXUGHQHPQH-IRXDYDNUSA-N 0 3 433.557 -0.326 20 0 IBADHN CCN1CCN(C(=O)C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)C[C@H]1c1ncc[nH]1 ZINC000552802886 1073230414 /nfs/dbraw/zinc/23/04/14/1073230414.db2.gz IDKVQXUGHQHPQH-SJORKVTESA-N 0 3 433.557 -0.326 20 0 IBADHN C[C@H](NC(=O)C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C)c1nnnn1-c1ccccc1 ZINC000552803120 1073230028 /nfs/dbraw/zinc/23/00/28/1073230028.db2.gz NGYFNFKMGFPMMP-DOTOQJQBSA-N 0 3 442.524 -0.102 20 0 IBADHN C[C@@H](NC(=O)C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C)c1nnnn1-c1ccccc1 ZINC000552803121 1073229932 /nfs/dbraw/zinc/22/99/32/1073229932.db2.gz NGYFNFKMGFPMMP-NVXWUHKLSA-N 0 3 442.524 -0.102 20 0 IBADHN C[C@H](NC(=O)C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C)c1nnnn1-c1ccccc1 ZINC000552803122 1073229886 /nfs/dbraw/zinc/22/98/86/1073229886.db2.gz NGYFNFKMGFPMMP-RDJZCZTQSA-N 0 3 442.524 -0.102 20 0 IBADHN C[C@@H](NC(=O)C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C)c1nnnn1-c1ccccc1 ZINC000552803123 1073229979 /nfs/dbraw/zinc/22/99/79/1073229979.db2.gz NGYFNFKMGFPMMP-WBVHZDCISA-N 0 3 442.524 -0.102 20 0 IBADHN C[C@@H]1CN(CCN(C)C(=O)C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)C[C@H](C)O1 ZINC000552803812 1073230491 /nfs/dbraw/zinc/23/04/91/1073230491.db2.gz WKKKEZYYCIJGBL-FGTMMUONSA-N 0 3 425.574 -0.387 20 0 IBADHN C[C@@H]1CN(CCN(C)C(=O)C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)C[C@H](C)O1 ZINC000552803813 1073230388 /nfs/dbraw/zinc/23/03/88/1073230388.db2.gz WKKKEZYYCIJGBL-KSZLIROESA-N 0 3 425.574 -0.387 20 0 IBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)N[C@H]1CCCN(CC(F)(F)F)C1=O ZINC000552804489 1073228287 /nfs/dbraw/zinc/22/82/87/1073228287.db2.gz GQVPJBKZHUGKTL-KBPBESRZSA-N 0 3 449.474 -0.285 20 0 IBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)N[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000552804490 1073228146 /nfs/dbraw/zinc/22/81/46/1073228146.db2.gz GQVPJBKZHUGKTL-KGLIPLIRSA-N 0 3 449.474 -0.285 20 0 IBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)N[C@H]1CCCN(CC(F)(F)F)C1=O ZINC000552804491 1073228086 /nfs/dbraw/zinc/22/80/86/1073228086.db2.gz GQVPJBKZHUGKTL-UONOGXRCSA-N 0 3 449.474 -0.285 20 0 IBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)N[C@@H]1CCCN(CC(F)(F)F)C1=O ZINC000552804492 1073228253 /nfs/dbraw/zinc/22/82/53/1073228253.db2.gz GQVPJBKZHUGKTL-ZIAGYGMSSA-N 0 3 449.474 -0.285 20 0 IBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)N1CCCN(c2cccnn2)CC1 ZINC000552804656 1073230446 /nfs/dbraw/zinc/23/04/46/1073230446.db2.gz IGJIMDRVSHRPHT-KRWDZBQOSA-N 0 3 431.541 -0.426 20 0 IBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)N1CCCN(c2cccnn2)CC1 ZINC000552804657 1073230542 /nfs/dbraw/zinc/23/05/42/1073230542.db2.gz IGJIMDRVSHRPHT-QGZVFWFLSA-N 0 3 431.541 -0.426 20 0 IBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)N1CCN(c2ncc(F)cn2)CC1 ZINC000552804775 1073228126 /nfs/dbraw/zinc/22/81/26/1073228126.db2.gz JXZLZKUWGLNBKK-INIZCTEOSA-N 0 3 435.504 -0.677 20 0 IBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)N1CCN(c2ncc(F)cn2)CC1 ZINC000552804777 1073228302 /nfs/dbraw/zinc/22/83/02/1073228302.db2.gz JXZLZKUWGLNBKK-MRXNPFEDSA-N 0 3 435.504 -0.677 20 0 IBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)N1CCC[C@@H](CN2CCOCC2)C1 ZINC000552805337 1073228177 /nfs/dbraw/zinc/22/81/77/1073228177.db2.gz XMYBHPFLDWZRPS-OALUTQOASA-N 0 3 437.585 -0.384 20 0 IBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)N1CCC[C@@H](CN2CCOCC2)C1 ZINC000552805338 1073228053 /nfs/dbraw/zinc/22/80/53/1073228053.db2.gz XMYBHPFLDWZRPS-RBUKOAKNSA-N 0 3 437.585 -0.384 20 0 IBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)N1CCN(Cc2cscn2)CC1 ZINC000552805360 1073228108 /nfs/dbraw/zinc/22/81/08/1073228108.db2.gz YETBFCVBCTZUQF-KRWDZBQOSA-N 0 3 436.582 -0.154 20 0 IBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)N1CCN(Cc2cscn2)CC1 ZINC000552805361 1073228226 /nfs/dbraw/zinc/22/82/26/1073228226.db2.gz YETBFCVBCTZUQF-QGZVFWFLSA-N 0 3 436.582 -0.154 20 0 IBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N[C@H]2CCN(Cc3ccccc3)C2=O)CC1 ZINC000552863590 1073232803 /nfs/dbraw/zinc/23/28/03/1073232803.db2.gz ZRYHHMSNILXHRI-IBGZPJMESA-N 0 3 443.548 -0.084 20 0 IBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N[C@@H]2CCN(Cc3ccccc3)C2=O)CC1 ZINC000552863591 1073232782 /nfs/dbraw/zinc/23/27/82/1073232782.db2.gz ZRYHHMSNILXHRI-LJQANCHMSA-N 0 3 443.548 -0.084 20 0 IBADHN CC(C)Nc1nc(NCCO)nc(N2CCN(S(=O)(=O)c3ccc(F)cc3)CC2)n1 ZINC000552894614 1073234434 /nfs/dbraw/zinc/23/44/34/1073234434.db2.gz ANQZGWLPEMLRJK-UHFFFAOYSA-N 0 3 439.517 -0.410 20 0 IBADHN O=C(NCCNC(=O)c1cnccn1)C(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000552929039 1073238035 /nfs/dbraw/zinc/23/80/35/1073238035.db2.gz VRFOLHSEGHQBMI-UHFFFAOYSA-N 0 3 440.504 -0.404 20 0 IBADHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)NCCC(=O)N1CCN(c2ccccn2)CC1 ZINC000552935268 1073240713 /nfs/dbraw/zinc/24/07/13/1073240713.db2.gz ICVIIOYCQBNWCH-AEFFLSMTSA-N 0 3 428.537 -0.165 20 0 IBADHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)NCCC(=O)N1CCN(c2ccccn2)CC1 ZINC000552935269 1073241008 /nfs/dbraw/zinc/24/10/08/1073241008.db2.gz ICVIIOYCQBNWCH-FUHWJXTLSA-N 0 3 428.537 -0.165 20 0 IBADHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)NCCC(=O)N1CCN(c2ccccn2)CC1 ZINC000552935270 1073240872 /nfs/dbraw/zinc/24/08/72/1073240872.db2.gz ICVIIOYCQBNWCH-SJLPKXTDSA-N 0 3 428.537 -0.165 20 0 IBADHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)NCCC(=O)N1CCN(c2ccccn2)CC1 ZINC000552935271 1073240764 /nfs/dbraw/zinc/24/07/64/1073240764.db2.gz ICVIIOYCQBNWCH-WMZOPIPTSA-N 0 3 428.537 -0.165 20 0 IBADHN CCN1CCN(C(=O)CC2CCN(C(=O)C(=O)NCCN(C)CCOC)CC2)CC1 ZINC000552970511 1073241793 /nfs/dbraw/zinc/24/17/93/1073241793.db2.gz HESITWHOWUCRRR-UHFFFAOYSA-N 0 3 425.574 -0.526 20 0 IBADHN Cc1ccc(OCC(=O)N2CCN(c3nc(NCCO)nc(NC(C)C)n3)CC2)cc1 ZINC000552998864 1073243948 /nfs/dbraw/zinc/24/39/48/1073243948.db2.gz PFWVCOWIFRAIDO-UHFFFAOYSA-N 0 3 429.525 -0.024 20 0 IBADHN CNS(=O)(=O)c1cccc([C@H](C)NC(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)c1 ZINC000553013784 1073245346 /nfs/dbraw/zinc/24/53/46/1073245346.db2.gz RALAXXFMMIIOEY-HNNXBMFYSA-N 0 3 439.582 -0.086 20 0 IBADHN CNS(=O)(=O)c1cccc([C@@H](C)NC(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)c1 ZINC000553013786 1073245277 /nfs/dbraw/zinc/24/52/77/1073245277.db2.gz RALAXXFMMIIOEY-OAHLLOKOSA-N 0 3 439.582 -0.086 20 0 IBADHN CCN1CCCC[C@H]1CNC(=O)C(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000553022322 1073244837 /nfs/dbraw/zinc/24/48/37/1073244837.db2.gz SASUSRZRSJKQFK-INIZCTEOSA-N 0 3 427.527 -0.361 20 0 IBADHN CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000553022323 1073244803 /nfs/dbraw/zinc/24/48/03/1073244803.db2.gz SASUSRZRSJKQFK-MRXNPFEDSA-N 0 3 427.527 -0.361 20 0 IBADHN CCN1CCCC[C@H]1CNC(=O)C(=O)N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 ZINC000553024822 1073244698 /nfs/dbraw/zinc/24/46/98/1073244698.db2.gz KVRHDMDTJGEVJP-INIZCTEOSA-N 0 3 440.570 -0.448 20 0 IBADHN CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 ZINC000553024823 1073244736 /nfs/dbraw/zinc/24/47/36/1073244736.db2.gz KVRHDMDTJGEVJP-MRXNPFEDSA-N 0 3 440.570 -0.448 20 0 IBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NCC(=O)N(C)CCc2ccccn2)CC1 ZINC000553047265 1073247260 /nfs/dbraw/zinc/24/72/60/1073247260.db2.gz MCGBZSVVEZVPHF-UHFFFAOYSA-N 0 3 446.552 -0.789 20 0 IBADHN CC(C)NC(=O)[C@@H]1CCC[C@H](NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000553073828 1073249116 /nfs/dbraw/zinc/24/91/16/1073249116.db2.gz BRDPVTRIRFZUBX-MSOLQXFVSA-N 0 3 435.569 -0.047 20 0 IBADHN CC(C)NC(=O)[C@@H]1CCC[C@@H](NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000553073829 1073249177 /nfs/dbraw/zinc/24/91/77/1073249177.db2.gz BRDPVTRIRFZUBX-QZTJIDSGSA-N 0 3 435.569 -0.047 20 0 IBADHN CC(C)NC(=O)[C@H]1CCC[C@H](NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000553073830 1073249084 /nfs/dbraw/zinc/24/90/84/1073249084.db2.gz BRDPVTRIRFZUBX-ROUUACIJSA-N 0 3 435.569 -0.047 20 0 IBADHN CC(C)NC(=O)[C@H]1CCC[C@@H](NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000553073831 1073249157 /nfs/dbraw/zinc/24/91/57/1073249157.db2.gz BRDPVTRIRFZUBX-ZWKOTPCHSA-N 0 3 435.569 -0.047 20 0 IBADHN CC(C)Nc1nc(NCCO)nc(NC2CCN(S(=O)(=O)Cc3ccccc3)CC2)n1 ZINC000553103132 1073250031 /nfs/dbraw/zinc/25/00/31/1073250031.db2.gz BFLOADXRMSDZBE-UHFFFAOYSA-N 0 3 449.581 -0.232 20 0 IBADHN CC(C)(C)Nc1nc(N[C@@H]2CCCS(=O)(=O)C2)nc(N[C@H]2CCCS(=O)(=O)C2)n1 ZINC000553103207 1073250616 /nfs/dbraw/zinc/25/06/16/1073250616.db2.gz DHICZTSSYLDPJC-BETUJISGSA-N 0 3 446.599 -0.096 20 0 IBADHN CC(C)(C)Nc1nc(N[C@@H]2CCCS(=O)(=O)C2)nc(N[C@@H]2CCCS(=O)(=O)C2)n1 ZINC000553103208 1073250638 /nfs/dbraw/zinc/25/06/38/1073250638.db2.gz DHICZTSSYLDPJC-CHWSQXEVSA-N 0 3 446.599 -0.096 20 0 IBADHN CC(C)(C)Nc1nc(N[C@H]2CCCS(=O)(=O)C2)nc(N[C@H]2CCCS(=O)(=O)C2)n1 ZINC000553103209 1073250647 /nfs/dbraw/zinc/25/06/47/1073250647.db2.gz DHICZTSSYLDPJC-STQMWFEESA-N 0 3 446.599 -0.096 20 0 IBADHN CCC[C@@H]1CN(c2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)CCN1CCOC ZINC000553117632 1073250554 /nfs/dbraw/zinc/25/05/54/1073250554.db2.gz KTOLAICYVPAEDN-CDUMDVBJSA-N 0 3 436.513 -0.625 20 0 IBADHN CCC[C@H]1CN(c2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)CCN1CCOC ZINC000553117633 1073250658 /nfs/dbraw/zinc/25/06/58/1073250658.db2.gz KTOLAICYVPAEDN-SWQDORGXSA-N 0 3 436.513 -0.625 20 0 IBADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)NCCCN3C(=O)CNC3=O)cc2)CC1 ZINC000553122870 1073251007 /nfs/dbraw/zinc/25/10/07/1073251007.db2.gz QAPBLNXTTHIOSO-UHFFFAOYSA-N 0 3 430.509 -0.179 20 0 IBADHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000553148232 1073252409 /nfs/dbraw/zinc/25/24/09/1073252409.db2.gz KMSMZMZPOBZKAO-HKUYNNGSSA-N 0 3 437.585 -0.243 20 0 IBADHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000553148233 1073252444 /nfs/dbraw/zinc/25/24/44/1073252444.db2.gz KMSMZMZPOBZKAO-PKOBYXMFSA-N 0 3 437.585 -0.243 20 0 IBADHN CC(C)OCCN1CCN(C(=O)C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC000553148622 1073252734 /nfs/dbraw/zinc/25/27/34/1073252734.db2.gz WTTDPKDCXJYLGL-GOSISDBHSA-N 0 3 425.574 -0.386 20 0 IBADHN CC(C)OCCN1CCN(C(=O)C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)CC1 ZINC000553148623 1073252682 /nfs/dbraw/zinc/25/26/82/1073252682.db2.gz WTTDPKDCXJYLGL-SFHVURJKSA-N 0 3 425.574 -0.386 20 0 IBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1 ZINC000553149325 1073252370 /nfs/dbraw/zinc/25/23/70/1073252370.db2.gz CMGVDOVTBZTNNN-AEFFLSMTSA-N 0 3 433.557 -0.436 20 0 IBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)N[C@H]1CCCN(c2cnn(C)c2)C1 ZINC000553149326 1073252551 /nfs/dbraw/zinc/25/25/51/1073252551.db2.gz CMGVDOVTBZTNNN-FUHWJXTLSA-N 0 3 433.557 -0.436 20 0 IBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)N[C@@H]1CCCN(c2cnn(C)c2)C1 ZINC000553149327 1073253214 /nfs/dbraw/zinc/25/32/14/1073253214.db2.gz CMGVDOVTBZTNNN-SJLPKXTDSA-N 0 3 433.557 -0.436 20 0 IBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)N[C@H]1CCCN(c2cnn(C)c2)C1 ZINC000553149328 1073253131 /nfs/dbraw/zinc/25/31/31/1073253131.db2.gz CMGVDOVTBZTNNN-WMZOPIPTSA-N 0 3 433.557 -0.436 20 0 IBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)N1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000553149369 1073253057 /nfs/dbraw/zinc/25/30/57/1073253057.db2.gz DLMWCQUJCZZUOO-GOSISDBHSA-N 0 3 445.568 -0.005 20 0 IBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)N1CCN(c2cc(C3CC3)[nH]n2)CC1 ZINC000553149370 1073253226 /nfs/dbraw/zinc/25/32/26/1073253226.db2.gz DLMWCQUJCZZUOO-SFHVURJKSA-N 0 3 445.568 -0.005 20 0 IBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)NCc1ncnn1-c1ccccc1 ZINC000553149481 1073252579 /nfs/dbraw/zinc/25/25/79/1073252579.db2.gz HIPZZNQTNZEZGI-KRWDZBQOSA-N 0 3 427.509 -0.058 20 0 IBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)NCc1ncnn1-c1ccccc1 ZINC000553149483 1073252350 /nfs/dbraw/zinc/25/23/50/1073252350.db2.gz HIPZZNQTNZEZGI-QGZVFWFLSA-N 0 3 427.509 -0.058 20 0 IBADHN COc1ccnc(N2CCN(C(=O)C(=O)NCCCN3CCC[C@H]3C(=O)N(C)C)CC2)n1 ZINC000553149637 1073252331 /nfs/dbraw/zinc/25/23/31/1073252331.db2.gz JIBUNORUQZKIJC-INIZCTEOSA-N 0 3 447.540 -0.807 20 0 IBADHN COc1ccnc(N2CCN(C(=O)C(=O)NCCCN3CCC[C@@H]3C(=O)N(C)C)CC2)n1 ZINC000553149638 1073252651 /nfs/dbraw/zinc/25/26/51/1073252651.db2.gz JIBUNORUQZKIJC-MRXNPFEDSA-N 0 3 447.540 -0.807 20 0 IBADHN C[C@H]1CN(C(=O)C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)CCN1CC(C)(C)O ZINC000553149641 1073252535 /nfs/dbraw/zinc/25/25/35/1073252535.db2.gz JLHPTCQBTOVQOC-DLBZAZTESA-N 0 3 425.574 -0.651 20 0 IBADHN C[C@@H]1CN(C(=O)C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)CCN1CC(C)(C)O ZINC000553149642 1073252480 /nfs/dbraw/zinc/25/24/80/1073252480.db2.gz JLHPTCQBTOVQOC-IAGOWNOFSA-N 0 3 425.574 -0.651 20 0 IBADHN C[C@H]1CN(C(=O)C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)CCN1CC(C)(C)O ZINC000553149643 1073252495 /nfs/dbraw/zinc/25/24/95/1073252495.db2.gz JLHPTCQBTOVQOC-IRXDYDNUSA-N 0 3 425.574 -0.651 20 0 IBADHN C[C@@H]1CN(C(=O)C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)CCN1CC(C)(C)O ZINC000553149644 1073252708 /nfs/dbraw/zinc/25/27/08/1073252708.db2.gz JLHPTCQBTOVQOC-SJORKVTESA-N 0 3 425.574 -0.651 20 0 IBADHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000553149717 1073252763 /nfs/dbraw/zinc/25/27/63/1073252763.db2.gz KMSMZMZPOBZKAO-IEBWSBKVSA-N 0 3 437.585 -0.243 20 0 IBADHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000553149719 1073252632 /nfs/dbraw/zinc/25/26/32/1073252632.db2.gz KMSMZMZPOBZKAO-MJGOQNOKSA-N 0 3 437.585 -0.243 20 0 IBADHN CC(C)(C)Nc1nc(NC[C@H]2CCCS2(=O)=O)nc(NC[C@H]2CCCS2(=O)=O)n1 ZINC000553150129 1073253201 /nfs/dbraw/zinc/25/32/01/1073253201.db2.gz VWSNSVRHTUBIEC-CHWSQXEVSA-N 0 3 446.599 -0.096 20 0 IBADHN CC(C)(C)Nc1nc(NC[C@@H]2CCCS2(=O)=O)nc(NC[C@@H]2CCCS2(=O)=O)n1 ZINC000553150130 1073253206 /nfs/dbraw/zinc/25/32/06/1073253206.db2.gz VWSNSVRHTUBIEC-STQMWFEESA-N 0 3 446.599 -0.096 20 0 IBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)NCc1cccc(-n2cncn2)c1 ZINC000553150594 1073253221 /nfs/dbraw/zinc/25/32/21/1073253221.db2.gz YBMRIPGMUULGSC-GOSISDBHSA-N 0 3 427.509 -0.058 20 0 IBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)NCc1cccc(-n2cncn2)c1 ZINC000553150595 1073253234 /nfs/dbraw/zinc/25/32/34/1073253234.db2.gz YBMRIPGMUULGSC-SFHVURJKSA-N 0 3 427.509 -0.058 20 0 IBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)N1CCN(Cc2cnn(C)c2)CC1 ZINC000553151146 1073253081 /nfs/dbraw/zinc/25/30/81/1073253081.db2.gz BIDAVPDZCRZVTP-GOSISDBHSA-N 0 3 433.557 -0.877 20 0 IBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)N1CCN(Cc2cnn(C)c2)CC1 ZINC000553151147 1073253169 /nfs/dbraw/zinc/25/31/69/1073253169.db2.gz BIDAVPDZCRZVTP-SFHVURJKSA-N 0 3 433.557 -0.877 20 0 IBADHN COC(=O)C(C)(C)N1CCN(C(=O)C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)CC1 ZINC000553151512 1073253193 /nfs/dbraw/zinc/25/31/93/1073253193.db2.gz JLCHBTGTIAEMEW-INIZCTEOSA-N 0 3 439.557 -0.859 20 0 IBADHN COC(=O)C(C)(C)N1CCN(C(=O)C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC000553151513 1073253684 /nfs/dbraw/zinc/25/36/84/1073253684.db2.gz JLCHBTGTIAEMEW-MRXNPFEDSA-N 0 3 439.557 -0.859 20 0 IBADHN C[C@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NC1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C ZINC000553204307 1073257937 /nfs/dbraw/zinc/25/79/37/1073257937.db2.gz MPIIUPWSIFHSGT-AVOUXACISA-N 0 3 426.543 -0.713 20 0 IBADHN C[C@@H](NS(=O)(=O)c1cnn(C)c1)C(=O)NC1C[C@H]2CC[C@@H](C1)N2CC(=O)N(C)C ZINC000553204308 1073257874 /nfs/dbraw/zinc/25/78/74/1073257874.db2.gz MPIIUPWSIFHSGT-FFHGMXDLSA-N 0 3 426.543 -0.713 20 0 IBADHN Cc1nc(S(=O)(=O)NCC(=O)NC2C[C@H]3CC[C@@H](C2)N3CC(=O)N(C)C)cn1C ZINC000553205527 1073257799 /nfs/dbraw/zinc/25/77/99/1073257799.db2.gz NTMLFHNTBLAHMB-GOOCMWNKSA-N 0 3 426.543 -0.793 20 0 IBADHN COCCNS(=O)(=O)c1c[nH]c(C(=O)NC2C[C@H]3CC[C@@H](C2)N3CC(=O)N(C)C)c1 ZINC000553212135 1073257148 /nfs/dbraw/zinc/25/71/48/1073257148.db2.gz QOGIBWRICCVYNF-GOOCMWNKSA-N 0 3 441.554 -0.247 20 0 IBADHN CC(C)(C)Nc1nc(NCC2(S(C)(=O)=O)CC2)nc(NCC2(S(C)(=O)=O)CC2)n1 ZINC000553229127 1073258781 /nfs/dbraw/zinc/25/87/81/1073258781.db2.gz FMZMUWXWGKKLAT-UHFFFAOYSA-N 0 3 446.599 -0.096 20 0 IBADHN CC(C)Nc1nc(NCCO)nc(N2CCC(NS(=O)(=O)c3ccccc3)CC2)n1 ZINC000553246032 1073259516 /nfs/dbraw/zinc/25/95/16/1073259516.db2.gz HSCGZPIJURMCJG-UHFFFAOYSA-N 0 3 435.554 -0.113 20 0 IBADHN CCNc1nc(NC(C)(C)C)nc(N2CCN(S(=O)(=O)N3CCOCC3)CC2)n1 ZINC000553307501 1073264177 /nfs/dbraw/zinc/26/41/77/1073264177.db2.gz SQNMASSZIFHJOU-UHFFFAOYSA-N 0 3 428.563 -0.365 20 0 IBADHN COc1cccc(CC(=O)N2CCN(c3nc(NCCO)nc(NC(C)C)n3)CC2)c1 ZINC000553317594 1073265280 /nfs/dbraw/zinc/26/52/80/1073265280.db2.gz BFXYMTGBRYMEGW-UHFFFAOYSA-N 0 3 429.525 -0.160 20 0 IBADHN CC(C)Nc1nc(NCCO)nc(NCCNC(=O)c2cccc(Br)c2)n1 ZINC000553326624 1073264565 /nfs/dbraw/zinc/26/45/65/1073264565.db2.gz NVNNBCKEMVJGOQ-UHFFFAOYSA-N 0 3 438.330 -0.034 20 0 IBADHN Cc1ccc(CN(CCN(C)C)C(=O)C(=O)NCCS(=O)(=O)N2CCSCC2)o1 ZINC000553330298 1073264848 /nfs/dbraw/zinc/26/48/48/1073264848.db2.gz DNSVJEPFNZEPHD-UHFFFAOYSA-N 0 3 446.595 -0.027 20 0 IBADHN COc1cccc(C(=O)N2CCN(c3nc(NCCO)nc(NC(C)C)n3)CC2)c1OC ZINC000553339077 1073265237 /nfs/dbraw/zinc/26/52/37/1073265237.db2.gz WELPATRXJBYFIV-UHFFFAOYSA-N 0 3 445.524 -0.081 20 0 IBADHN O=C(CN1CCOCC1)NCCN(CCN1CCCCC1)C(=O)CN1CCOCC1 ZINC000553512131 1073274043 /nfs/dbraw/zinc/27/40/43/1073274043.db2.gz HICOBKRLLMPQBU-UHFFFAOYSA-N 0 3 425.574 -0.919 20 0 IBADHN COC1CCN(C(C)(C)CNC(=O)C(=O)N2CCN(CC(=O)NC(C)C)CC2)CC1 ZINC000553600377 1073277182 /nfs/dbraw/zinc/27/71/82/1073277182.db2.gz WXXANXAUECWAPW-UHFFFAOYSA-N 0 3 425.574 -0.339 20 0 IBADHN COC1CCN(C(C)(C)CNC(=O)C(=O)N2CCN(CC(=O)N3CCCC3)CC2)CC1 ZINC000553618745 1073278511 /nfs/dbraw/zinc/27/85/11/1073278511.db2.gz DMNVXDMCLQFUTF-UHFFFAOYSA-N 0 3 437.585 -0.241 20 0 IBADHN COC1CCN(C(C)(C)CNC(=O)C(=O)N2CCN(c3ncccc3C(N)=O)CC2)CC1 ZINC000553622752 1073278949 /nfs/dbraw/zinc/27/89/49/1073278949.db2.gz XAFLNURVUZITLO-UHFFFAOYSA-N 0 3 446.552 -0.165 20 0 IBADHN CN1CCN(c2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C[C@H]1Cc1ccccc1 ZINC000553685529 1073281111 /nfs/dbraw/zinc/28/11/11/1073281111.db2.gz XEOZXZYFZYALPA-FBLYDNEXSA-N 0 3 440.504 -0.199 20 0 IBADHN CN1CCN(c2ncnc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)C[C@@H]1Cc1ccccc1 ZINC000553685532 1073281132 /nfs/dbraw/zinc/28/11/32/1073281132.db2.gz XEOZXZYFZYALPA-XVZIYINBSA-N 0 3 440.504 -0.199 20 0 IBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N[C@@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000553855089 1073288642 /nfs/dbraw/zinc/28/86/42/1073288642.db2.gz WIROQXBNJMROHX-GOSISDBHSA-N 0 3 429.521 -0.079 20 0 IBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N[C@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000553855090 1073288704 /nfs/dbraw/zinc/28/87/04/1073288704.db2.gz WIROQXBNJMROHX-SFHVURJKSA-N 0 3 429.521 -0.079 20 0 IBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NCc2cccc(N3CCOCC3)n2)CC1 ZINC000553912134 1073291141 /nfs/dbraw/zinc/29/11/41/1073291141.db2.gz GEWMXSYGMKHGGI-UHFFFAOYSA-N 0 3 446.552 -0.453 20 0 IBADHN O=C(CN1CCCC1)N1CCN(C(=O)C(=O)NCc2cccc(N3CCOCC3)n2)CC1 ZINC000553912313 1073291098 /nfs/dbraw/zinc/29/10/98/1073291098.db2.gz FLDLHRBQRDGONK-UHFFFAOYSA-N 0 3 444.536 -0.699 20 0 IBADHN Cn1ncc2c1ncnc2N1CCN(C(=O)CN2CC[C@H](C(=O)N3CCCC3)C2)CC1 ZINC000553951605 1073293285 /nfs/dbraw/zinc/29/32/85/1073293285.db2.gz MOQKSAXPRRIARF-INIZCTEOSA-N 0 3 426.525 -0.044 20 0 IBADHN Cn1ncc2c1ncnc2N1CCN(C(=O)CN2CC[C@@H](C(=O)N3CCCC3)C2)CC1 ZINC000553951611 1073293162 /nfs/dbraw/zinc/29/31/62/1073293162.db2.gz MOQKSAXPRRIARF-MRXNPFEDSA-N 0 3 426.525 -0.044 20 0 IBADHN COC1CCN(C(C)(C)CNC(=O)C(=O)N2CCN(c3ccc(C(N)=O)cn3)CC2)CC1 ZINC000553956922 1073293326 /nfs/dbraw/zinc/29/33/26/1073293326.db2.gz PHPBWXNBEXQCCS-UHFFFAOYSA-N 0 3 446.552 -0.165 20 0 IBADHN COC1CCN(C(C)(C)CNC(=O)C(=O)NC2CCN(CC(=O)N(C)C)CC2)CC1 ZINC000553958476 1073292700 /nfs/dbraw/zinc/29/27/00/1073292700.db2.gz LORNSXVRXBQRMR-UHFFFAOYSA-N 0 3 425.574 -0.339 20 0 IBADHN O=C(CN1CCCC1)N1CCN(C(=O)N[C@@H]2CCCN(S(=O)(=O)C3CC3)C2)CC1 ZINC000553958717 1073292790 /nfs/dbraw/zinc/29/27/90/1073292790.db2.gz KVULLDRNXXHATF-MRXNPFEDSA-N 0 3 427.571 -0.107 20 0 IBADHN C[C@@H](CNC(=O)C(=O)N1CCN(C(=O)CN2CCOCC2)CC1)N(C)Cc1ccccc1 ZINC000554010371 1073296120 /nfs/dbraw/zinc/29/61/20/1073296120.db2.gz GABBRKUHASDSMG-IBGZPJMESA-N 0 3 445.564 -0.374 20 0 IBADHN C[C@H](CNC(=O)C(=O)N1CCN(C(=O)CN2CCOCC2)CC1)N(C)Cc1ccccc1 ZINC000554010373 1073296105 /nfs/dbraw/zinc/29/61/05/1073296105.db2.gz GABBRKUHASDSMG-LJQANCHMSA-N 0 3 445.564 -0.374 20 0 IBADHN CC(C)N1CCN([C@@H]2CCN(C(=O)C(=O)N[C@H]3CCN(CC(F)(F)F)C3=O)C2)CC1 ZINC000554133411 1073304223 /nfs/dbraw/zinc/30/42/23/1073304223.db2.gz WLVPYTQPMHIPQA-CABCVRRESA-N 0 3 433.475 -0.107 20 0 IBADHN CC(C)N1CCN([C@H]2CCN(C(=O)C(=O)N[C@H]3CCN(CC(F)(F)F)C3=O)C2)CC1 ZINC000554133425 1073305170 /nfs/dbraw/zinc/30/51/70/1073305170.db2.gz WLVPYTQPMHIPQA-GJZGRUSLSA-N 0 3 433.475 -0.107 20 0 IBADHN CC(C)N1CCN([C@@H]2CCN(C(=O)C(=O)N[C@@H]3CCN(CC(F)(F)F)C3=O)C2)CC1 ZINC000554133427 1073305221 /nfs/dbraw/zinc/30/52/21/1073305221.db2.gz WLVPYTQPMHIPQA-HUUCEWRRSA-N 0 3 433.475 -0.107 20 0 IBADHN CC(C)N1CCN([C@H]2CCN(C(=O)C(=O)N[C@@H]3CCN(CC(F)(F)F)C3=O)C2)CC1 ZINC000554133429 1073305195 /nfs/dbraw/zinc/30/51/95/1073305195.db2.gz WLVPYTQPMHIPQA-LSDHHAIUSA-N 0 3 433.475 -0.107 20 0 IBADHN COCCNS(=O)(=O)c1cccc(CNC(=O)C(=O)N[C@@H](C)C2=CCN(C)CC2)c1 ZINC000554162395 1073307658 /nfs/dbraw/zinc/30/76/58/1073307658.db2.gz GWKOEZXURRATDF-HNNXBMFYSA-N 0 3 438.550 -0.006 20 0 IBADHN COCCNS(=O)(=O)c1cccc(CNC(=O)C(=O)N[C@H](C)C2=CCN(C)CC2)c1 ZINC000554162398 1073307689 /nfs/dbraw/zinc/30/76/89/1073307689.db2.gz GWKOEZXURRATDF-OAHLLOKOSA-N 0 3 438.550 -0.006 20 0 IBADHN CS(=O)(=O)N1CCN(C(=O)C(=O)NCC2(N3CCSCC3)CCCCC2)CC1 ZINC000554165787 1073308084 /nfs/dbraw/zinc/30/80/84/1073308084.db2.gz MMUGJLPNGFOQAA-UHFFFAOYSA-N 0 3 432.612 -0.042 20 0 IBADHN O=C(NCCCCN1CCN(CCO)CC1)C(=O)N1CCN(c2ccccc2F)CC1 ZINC000554178413 1073308989 /nfs/dbraw/zinc/30/89/89/1073308989.db2.gz BGGHYNLRGVEPJP-UHFFFAOYSA-N 0 3 435.544 -0.019 20 0 IBADHN Cc1ccncc1N1CCN(C(=O)C(=O)NCCCCN2CCN(CCO)CC2)CC1 ZINC000554181529 1073309791 /nfs/dbraw/zinc/30/97/91/1073309791.db2.gz AMBFGPQJUACLTI-UHFFFAOYSA-N 0 3 432.569 -0.455 20 0 IBADHN O=C(NCCCCN1CCN(CCO)CC1)C(=O)N1CCCC[C@H]1CN1CCOCC1 ZINC000554183373 1073309730 /nfs/dbraw/zinc/30/97/30/1073309730.db2.gz ZNXUXNTUMPJGTC-FQEVSTJZSA-N 0 3 439.601 -0.794 20 0 IBADHN O=C(NCCCCN1CCN(CCO)CC1)C(=O)N1CCCC[C@@H]1CN1CCOCC1 ZINC000554183376 1073309705 /nfs/dbraw/zinc/30/97/05/1073309705.db2.gz ZNXUXNTUMPJGTC-HXUWFJFHSA-N 0 3 439.601 -0.794 20 0 IBADHN O=C(NCCCCN1CCN(CCO)CC1)C(=O)N[C@H]1CCCN(c2ccccc2)C1=O ZINC000554198711 1073311721 /nfs/dbraw/zinc/31/17/21/1073311721.db2.gz CBQOERWPAQNCQC-FQEVSTJZSA-N 0 3 445.564 -0.196 20 0 IBADHN O=C(NCCCCN1CCN(CCO)CC1)C(=O)N[C@@H]1CCCN(c2ccccc2)C1=O ZINC000554198712 1073311827 /nfs/dbraw/zinc/31/18/27/1073311827.db2.gz CBQOERWPAQNCQC-HXUWFJFHSA-N 0 3 445.564 -0.196 20 0 IBADHN Cc1cc(C)nc(N2CCN(C(=O)C(=O)NCCCCN3CCN(CCO)CC3)CC2)n1 ZINC000554199017 1073311694 /nfs/dbraw/zinc/31/16/94/1073311694.db2.gz HTMYQVNIWKVKDU-UHFFFAOYSA-N 0 3 447.584 -0.752 20 0 IBADHN CC(C)(C)C(=O)N1CCN(C(=O)C(=O)NCCCCN2CCN(CCO)CC2)CC1 ZINC000554200461 1073311801 /nfs/dbraw/zinc/31/18/01/1073311801.db2.gz RWVXDOMLWXYEPK-UHFFFAOYSA-N 0 3 425.574 -0.790 20 0 IBADHN CN(C)S(=O)(=O)C[C@@H](NC(=O)N1CCN(C(=O)CN2CCCC2)CC1)C(F)(F)F ZINC000554264752 1073315201 /nfs/dbraw/zinc/31/52/01/1073315201.db2.gz LYLRTSUZJMENFR-CYBMUJFWSA-N 0 3 443.492 -0.242 20 0 IBADHN CN(C)S(=O)(=O)C[C@H](NC(=O)N1CCN(C(=O)CN2CCCC2)CC1)C(F)(F)F ZINC000554264753 1073315188 /nfs/dbraw/zinc/31/51/88/1073315188.db2.gz LYLRTSUZJMENFR-ZDUSSCGKSA-N 0 3 443.492 -0.242 20 0 IBADHN CN(C)S(=O)(=O)N1CCC[C@@H](NC(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000554341963 1073318050 /nfs/dbraw/zinc/31/80/50/1073318050.db2.gz WTAWJOHYZWPZEC-MRXNPFEDSA-N 0 3 430.575 -0.793 20 0 IBADHN C[C@@H]1CN(CCOC2CCN(C(=O)C(=O)NC[C@@H]3CN(C)CCN3C)CC2)C[C@H](C)O1 ZINC000554343952 1073318891 /nfs/dbraw/zinc/31/88/91/1073318891.db2.gz ZKWDKDZJRPYINP-CEXWTWQISA-N 0 3 439.601 -0.535 20 0 IBADHN C[C@@H]1CN(CCOC2CCN(C(=O)C(=O)NC[C@@H]3CN(C)CCN3C)CC2)C[C@@H](C)O1 ZINC000554343953 1073318744 /nfs/dbraw/zinc/31/87/44/1073318744.db2.gz ZKWDKDZJRPYINP-GUDVDZBRSA-N 0 3 439.601 -0.535 20 0 IBADHN C[C@@H]1CN(CCOC2CCN(C(=O)C(=O)NC[C@H]3CN(C)CCN3C)CC2)C[C@H](C)O1 ZINC000554343954 1073318694 /nfs/dbraw/zinc/31/86/94/1073318694.db2.gz ZKWDKDZJRPYINP-OTWHNJEPSA-N 0 3 439.601 -0.535 20 0 IBADHN C[C@@H]1CN(CCOC2CCN(C(=O)C(=O)NC[C@H]3CN(C)CCN3C)CC2)C[C@@H](C)O1 ZINC000554343955 1073318792 /nfs/dbraw/zinc/31/87/92/1073318792.db2.gz ZKWDKDZJRPYINP-QRVBRYPASA-N 0 3 439.601 -0.535 20 0 IBADHN O=C(CN1CCCC1)N1CCN(C(=O)C(=O)N[C@@H]2CCCC[C@@H]2N2CCOCC2)CC1 ZINC000554352748 1073320183 /nfs/dbraw/zinc/32/01/83/1073320183.db2.gz SYGRFVFXEDHYCB-MOPGFXCFSA-N 0 3 435.569 -0.487 20 0 IBADHN O=C(CN1CCCC1)N1CCN(C(=O)C(=O)N[C@H]2CCCC[C@@H]2N2CCOCC2)CC1 ZINC000554352749 1073319901 /nfs/dbraw/zinc/31/99/01/1073319901.db2.gz SYGRFVFXEDHYCB-OALUTQOASA-N 0 3 435.569 -0.487 20 0 IBADHN O=C(CN1CCCC1)N1CCN(C(=O)C(=O)N[C@H]2CCCC[C@H]2N2CCOCC2)CC1 ZINC000554352750 1073320132 /nfs/dbraw/zinc/32/01/32/1073320132.db2.gz SYGRFVFXEDHYCB-RBUKOAKNSA-N 0 3 435.569 -0.487 20 0 IBADHN O=C(CN1CCCC1)N1CCN(C(=O)C(=O)N[C@@H]2CCCC[C@H]2N2CCOCC2)CC1 ZINC000554352751 1073320206 /nfs/dbraw/zinc/32/02/06/1073320206.db2.gz SYGRFVFXEDHYCB-RTBURBONSA-N 0 3 435.569 -0.487 20 0 IBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N[C@@H]2CCN(CC(F)(F)F)C2=O)CC1 ZINC000554393920 1073320965 /nfs/dbraw/zinc/32/09/65/1073320965.db2.gz MIMMQOQJDYRPJA-CYBMUJFWSA-N 0 3 435.447 -0.722 20 0 IBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N[C@H]2CCN(CC(F)(F)F)C2=O)CC1 ZINC000554393921 1073320943 /nfs/dbraw/zinc/32/09/43/1073320943.db2.gz MIMMQOQJDYRPJA-ZDUSSCGKSA-N 0 3 435.447 -0.722 20 0 IBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N[C@@H]2CCN(c3ccccc3F)C2=O)CC1 ZINC000554420773 1073322376 /nfs/dbraw/zinc/32/23/76/1073322376.db2.gz UPLGXFOHGWTCNF-AEFFLSMTSA-N 0 3 445.495 -0.188 20 0 IBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N[C@H]2CCN(c3ccccc3F)C2=O)CC1 ZINC000554420781 1073322438 /nfs/dbraw/zinc/32/24/38/1073322438.db2.gz UPLGXFOHGWTCNF-FUHWJXTLSA-N 0 3 445.495 -0.188 20 0 IBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N[C@@H]2CCN(c3ccccc3F)C2=O)CC1 ZINC000554420782 1073322475 /nfs/dbraw/zinc/32/24/75/1073322475.db2.gz UPLGXFOHGWTCNF-SJLPKXTDSA-N 0 3 445.495 -0.188 20 0 IBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N[C@H]2CCN(c3ccccc3F)C2=O)CC1 ZINC000554420783 1073322529 /nfs/dbraw/zinc/32/25/29/1073322529.db2.gz UPLGXFOHGWTCNF-WMZOPIPTSA-N 0 3 445.495 -0.188 20 0 IBADHN CC(C)c1nc2c(n1C)CCN(C(=O)C(=O)NCCCCN1CCN(CCO)CC1)C2 ZINC000554428467 1073322704 /nfs/dbraw/zinc/32/27/04/1073322704.db2.gz PESBUNGKJOWRTP-UHFFFAOYSA-N 0 3 434.585 -0.066 20 0 IBADHN COc1ccccc1N1CCN(C(=O)C(=O)NCCCCN2CCN(CCO)CC2)CC1 ZINC000554437056 1073323131 /nfs/dbraw/zinc/32/31/31/1073323131.db2.gz DLRSOIJZQGQZPE-UHFFFAOYSA-N 0 3 447.580 -0.150 20 0 IBADHN CCN1CCC[C@H]1CNC(=O)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 ZINC000554441967 1073323817 /nfs/dbraw/zinc/32/38/17/1073323817.db2.gz AHAZDOJPVDHEKX-MSOLQXFVSA-N 0 3 445.568 -0.001 20 0 IBADHN CCN1CCC[C@@H]1CNC(=O)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 ZINC000554441973 1073323619 /nfs/dbraw/zinc/32/36/19/1073323619.db2.gz AHAZDOJPVDHEKX-QZTJIDSGSA-N 0 3 445.568 -0.001 20 0 IBADHN CCN1CCC[C@H]1CNC(=O)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 ZINC000554441975 1073323735 /nfs/dbraw/zinc/32/37/35/1073323735.db2.gz AHAZDOJPVDHEKX-ROUUACIJSA-N 0 3 445.568 -0.001 20 0 IBADHN CCN1CCC[C@@H]1CNC(=O)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 ZINC000554441977 1073323996 /nfs/dbraw/zinc/32/39/96/1073323996.db2.gz AHAZDOJPVDHEKX-ZWKOTPCHSA-N 0 3 445.568 -0.001 20 0 IBADHN CC[C@H]1CCCCN1CCNC(=O)C(=O)N1CCN([C@H](C)C(=O)N2CCOCC2)CC1 ZINC000554442120 1073323554 /nfs/dbraw/zinc/32/35/54/1073323554.db2.gz AHIMEKNFUSLUGA-MOPGFXCFSA-N 0 3 437.585 -0.241 20 0 IBADHN CC[C@H]1CCCCN1CCNC(=O)C(=O)N1CCN([C@@H](C)C(=O)N2CCOCC2)CC1 ZINC000554442122 1073323645 /nfs/dbraw/zinc/32/36/45/1073323645.db2.gz AHIMEKNFUSLUGA-OALUTQOASA-N 0 3 437.585 -0.241 20 0 IBADHN CC[C@@H]1CCCCN1CCNC(=O)C(=O)N1CCN([C@@H](C)C(=O)N2CCOCC2)CC1 ZINC000554442123 1073323758 /nfs/dbraw/zinc/32/37/58/1073323758.db2.gz AHIMEKNFUSLUGA-RBUKOAKNSA-N 0 3 437.585 -0.241 20 0 IBADHN CC[C@@H]1CCCCN1CCNC(=O)C(=O)N1CCN([C@H](C)C(=O)N2CCOCC2)CC1 ZINC000554442124 1073324063 /nfs/dbraw/zinc/32/40/63/1073324063.db2.gz AHIMEKNFUSLUGA-RTBURBONSA-N 0 3 437.585 -0.241 20 0 IBADHN CN(CCN(C)C1CC1)C(=O)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 ZINC000554443939 1073324428 /nfs/dbraw/zinc/32/44/28/1073324428.db2.gz WCGDMLMREYPYBS-KRWDZBQOSA-N 0 3 445.568 -0.049 20 0 IBADHN CN(CCN(C)C1CC1)C(=O)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 ZINC000554443940 1073324400 /nfs/dbraw/zinc/32/44/00/1073324400.db2.gz WCGDMLMREYPYBS-QGZVFWFLSA-N 0 3 445.568 -0.049 20 0 IBADHN CC(C)N1CCN([C@H]2CCN(C(=O)C(=O)N[C@H]3CCCN(c4cnn(C)c4)C3=O)C2)CC1 ZINC000554564842 1073326420 /nfs/dbraw/zinc/32/64/20/1073326420.db2.gz DJNFLDOOIMYLEI-HKUYNNGSSA-N 0 3 445.568 -0.341 20 0 IBADHN CC(C)N1CCN([C@@H]2CCN(C(=O)C(=O)N[C@@H]3CCCN(c4cnn(C)c4)C3=O)C2)CC1 ZINC000554564843 1073326259 /nfs/dbraw/zinc/32/62/59/1073326259.db2.gz DJNFLDOOIMYLEI-IEBWSBKVSA-N 0 3 445.568 -0.341 20 0 IBADHN CC(C)N1CCN([C@@H]2CCN(C(=O)C(=O)N[C@H]3CCCN(c4cnn(C)c4)C3=O)C2)CC1 ZINC000554564844 1073326319 /nfs/dbraw/zinc/32/63/19/1073326319.db2.gz DJNFLDOOIMYLEI-MJGOQNOKSA-N 0 3 445.568 -0.341 20 0 IBADHN CC(C)N1CCN([C@H]2CCN(C(=O)C(=O)N[C@@H]3CCCN(c4cnn(C)c4)C3=O)C2)CC1 ZINC000554564845 1073326289 /nfs/dbraw/zinc/32/62/89/1073326289.db2.gz DJNFLDOOIMYLEI-PKOBYXMFSA-N 0 3 445.568 -0.341 20 0 IBADHN Cn1c(C(=O)NC[C@@H](O)CN2CCc3ccccc3C2)cc2c1n(C)c(=O)n(C)c2=O ZINC000554621944 1073328071 /nfs/dbraw/zinc/32/80/71/1073328071.db2.gz KXNHYTJLGIMYSI-MRXNPFEDSA-N 0 3 425.489 -0.275 20 0 IBADHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 ZINC000554810727 1073342721 /nfs/dbraw/zinc/34/27/21/1073342721.db2.gz XHERHLUGPVLVPH-AEFFLSMTSA-N 0 3 443.552 -0.439 20 0 IBADHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 ZINC000554810728 1073342748 /nfs/dbraw/zinc/34/27/48/1073342748.db2.gz XHERHLUGPVLVPH-FUHWJXTLSA-N 0 3 443.552 -0.439 20 0 IBADHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 ZINC000554810729 1073342641 /nfs/dbraw/zinc/34/26/41/1073342641.db2.gz XHERHLUGPVLVPH-SJLPKXTDSA-N 0 3 443.552 -0.439 20 0 IBADHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 ZINC000554810730 1073342512 /nfs/dbraw/zinc/34/25/12/1073342512.db2.gz XHERHLUGPVLVPH-WMZOPIPTSA-N 0 3 443.552 -0.439 20 0 IBADHN COCCn1cc2c(n1)[C@H](NC(=O)C(=O)N1CCN(C(=O)CN3CCCC3)CC1)CCC2 ZINC000554873631 1073344984 /nfs/dbraw/zinc/34/49/84/1073344984.db2.gz OFNGBNFRJYIPNJ-GOSISDBHSA-N 0 3 446.552 -0.210 20 0 IBADHN COCCn1cc2c(n1)[C@@H](NC(=O)C(=O)N1CCN(C(=O)CN3CCCC3)CC1)CCC2 ZINC000554873632 1073344960 /nfs/dbraw/zinc/34/49/60/1073344960.db2.gz OFNGBNFRJYIPNJ-SFHVURJKSA-N 0 3 446.552 -0.210 20 0 IBADHN CCN(C)CCNC(=O)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1 ZINC000555444677 1073365407 /nfs/dbraw/zinc/36/54/07/1073365407.db2.gz PRKYEFGQAMIHBX-UHFFFAOYSA-N 0 3 441.554 -0.220 20 0 IBADHN CCN1CC[C@H]2OCCN(CC(=O)N3CCN(c4ncnc5c4cnn5C)CC3)[C@H]2C1 ZINC000555585677 1073369986 /nfs/dbraw/zinc/36/99/86/1073369986.db2.gz PCKVYNXVLDKHIL-ZWKOTPCHSA-N 0 3 428.541 -0.193 20 0 IBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCC2(N3CCOCC3)CCCCC2)CC1 ZINC000555648127 1073373457 /nfs/dbraw/zinc/37/34/57/1073373457.db2.gz INUAAHMUAGAAKX-IBGZPJMESA-N 0 3 449.596 -0.097 20 0 IBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCC2(N3CCOCC3)CCCCC2)CC1 ZINC000555648129 1073373658 /nfs/dbraw/zinc/37/36/58/1073373658.db2.gz INUAAHMUAGAAKX-LJQANCHMSA-N 0 3 449.596 -0.097 20 0 IBADHN CN(CCN1CCCC1)C(=O)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000555721942 1073376959 /nfs/dbraw/zinc/37/69/59/1073376959.db2.gz HDURJIWSIOOJAB-UHFFFAOYSA-N 0 3 438.550 -0.122 20 0 IBADHN C[C@H](NC(=O)C(=O)NCCN1CCN(C)C(C)(C)C1)c1cccc(S(N)(=O)=O)c1 ZINC000555735512 1073379560 /nfs/dbraw/zinc/37/95/60/1073379560.db2.gz UPEYJUHETNSRDA-AWEZNQCLSA-N 0 3 425.555 -0.347 20 0 IBADHN C[C@@H](NC(=O)C(=O)NCCN1CCN(C)C(C)(C)C1)c1cccc(S(N)(=O)=O)c1 ZINC000555735514 1073379611 /nfs/dbraw/zinc/37/96/11/1073379611.db2.gz UPEYJUHETNSRDA-CQSZACIVSA-N 0 3 425.555 -0.347 20 0 IBADHN CN(CCN(C)C1CC1)C(=O)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000555799509 1073382353 /nfs/dbraw/zinc/38/23/53/1073382353.db2.gz GAUZOVHVTCWMHF-UHFFFAOYSA-N 0 3 444.579 -0.062 20 0 IBADHN CN(CCNC(=O)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1)C1CC1 ZINC000555800182 1073382601 /nfs/dbraw/zinc/38/26/01/1073382601.db2.gz PIACVIDNKSHHET-UHFFFAOYSA-N 0 3 430.552 -0.404 20 0 IBADHN C[C@@H]1CN(C(C)(C)CNC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)C[C@H](C)O1 ZINC000555809299 1073382729 /nfs/dbraw/zinc/38/27/29/1073382729.db2.gz INHOLFICHXVSPT-HDICACEKSA-N 0 3 437.585 -0.243 20 0 IBADHN C[C@@H]1CN(C(C)(C)CNC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)C[C@@H](C)O1 ZINC000555809300 1073382654 /nfs/dbraw/zinc/38/26/54/1073382654.db2.gz INHOLFICHXVSPT-QZTJIDSGSA-N 0 3 437.585 -0.243 20 0 IBADHN C[C@H]1CN(C(C)(C)CNC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)C[C@H](C)O1 ZINC000555809301 1073382553 /nfs/dbraw/zinc/38/25/53/1073382553.db2.gz INHOLFICHXVSPT-ROUUACIJSA-N 0 3 437.585 -0.243 20 0 IBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NC[C@H](C(C)C)N2CCOCC2)CC1 ZINC000555855723 1073384715 /nfs/dbraw/zinc/38/47/15/1073384715.db2.gz CVRURBQWERRURC-GOSISDBHSA-N 0 3 425.574 -0.528 20 0 IBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NC[C@@H](C(C)C)N2CCOCC2)CC1 ZINC000555855724 1073384792 /nfs/dbraw/zinc/38/47/92/1073384792.db2.gz CVRURBQWERRURC-SFHVURJKSA-N 0 3 425.574 -0.528 20 0 IBADHN CCN1CCN([C@H]2CCN(C(=O)C(=O)NCc3ccc(N4CCN(C)CC4)nc3)C2)CC1 ZINC000555867014 1073386996 /nfs/dbraw/zinc/38/69/96/1073386996.db2.gz NVPJXUAXSRJJSS-FQEVSTJZSA-N 0 3 443.596 -0.312 20 0 IBADHN CCN1CCN([C@@H]2CCN(C(=O)C(=O)NCc3ccc(N4CCN(C)CC4)nc3)C2)CC1 ZINC000555867016 1073387031 /nfs/dbraw/zinc/38/70/31/1073387031.db2.gz NVPJXUAXSRJJSS-HXUWFJFHSA-N 0 3 443.596 -0.312 20 0 IBADHN O=C(CN1CCCC1)N1CCN(C(=O)C(=O)NC2CCN(C(=O)c3ccco3)CC2)CC1 ZINC000555876465 1073386701 /nfs/dbraw/zinc/38/67/01/1073386701.db2.gz BPBOEXRGLJIQFQ-UHFFFAOYSA-N 0 3 445.520 -0.233 20 0 IBADHN CN(C)S(=O)(=O)c1ccccc1CNC(=O)C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000555884552 1073387439 /nfs/dbraw/zinc/38/74/39/1073387439.db2.gz FDRIIDIYRJZJGP-UHFFFAOYSA-N 0 3 439.582 -0.305 20 0 IBADHN CN(C)S(=O)(=O)c1ccccc1CNC(=O)C(=O)N(C)CCCN1CCN(C)CC1 ZINC000555898427 1073389216 /nfs/dbraw/zinc/38/92/16/1073389216.db2.gz UFVWMZSEVIFBQS-UHFFFAOYSA-N 0 3 439.582 -0.351 20 0 IBADHN CN1CCN(CCCCNC(=O)C(=O)NCCNS(=O)(=O)c2ccccc2)CC1 ZINC000555900397 1073389261 /nfs/dbraw/zinc/38/92/61/1073389261.db2.gz FLUFFAPCKXRKBH-UHFFFAOYSA-N 0 3 425.555 -0.775 20 0 IBADHN CN1CCN(CCNC(=O)C(=O)NCCNS(=O)(=O)c2ccccc2)CC1(C)C ZINC000555901313 1073389631 /nfs/dbraw/zinc/38/96/31/1073389631.db2.gz MLRVFJZSNCBLDV-UHFFFAOYSA-N 0 3 425.555 -0.777 20 0 IBADHN CC(C)C[C@@H](CNC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1)N1CCOCC1 ZINC000555908327 1073390636 /nfs/dbraw/zinc/39/06/36/1073390636.db2.gz KSSIPAWQZFKJIX-IBGZPJMESA-N 0 3 437.585 -0.384 20 0 IBADHN CC(C)C[C@H](CNC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1)N1CCOCC1 ZINC000555908336 1073391155 /nfs/dbraw/zinc/39/11/55/1073391155.db2.gz KSSIPAWQZFKJIX-LJQANCHMSA-N 0 3 437.585 -0.384 20 0 IBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)Nc2ccc3c(c2)OCC(=O)N3C)CC1 ZINC000555915079 1073393212 /nfs/dbraw/zinc/39/32/12/1073393212.db2.gz TVYUHYMILVCBHU-UHFFFAOYSA-N 0 3 431.493 -0.007 20 0 IBADHN COc1cnccc1N1CCN(C(=O)C(=O)NCCNS(=O)(=O)c2ccccc2)CC1 ZINC000555915951 1073393535 /nfs/dbraw/zinc/39/35/35/1073393535.db2.gz IPLQIJRNEXZKNW-UHFFFAOYSA-N 0 3 447.517 -0.167 20 0 IBADHN C[C@@H]1CN(CCCNC(=O)C(=O)NCCCN2CCN(c3ncccn3)CC2)C[C@H](C)O1 ZINC000555916432 1073393099 /nfs/dbraw/zinc/39/30/99/1073393099.db2.gz AAQMMQLYSKVWSX-KDURUIRLSA-N 0 3 447.584 -0.280 20 0 IBADHN C[C@H]1CN(CCCNC(=O)C(=O)NCCCN2CCN(c3ncccn3)CC2)C[C@H](C)O1 ZINC000555916437 1073393168 /nfs/dbraw/zinc/39/31/68/1073393168.db2.gz AAQMMQLYSKVWSX-OALUTQOASA-N 0 3 447.584 -0.280 20 0 IBADHN C[C@@H]1CN(CCCNC(=O)C(=O)NCCCN2CCN(c3ncccn3)CC2)C[C@@H](C)O1 ZINC000555916439 1073393121 /nfs/dbraw/zinc/39/31/21/1073393121.db2.gz AAQMMQLYSKVWSX-RTBURBONSA-N 0 3 447.584 -0.280 20 0 IBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NCCNC(=O)c2ccc(C)c(F)c2)CC1 ZINC000555918059 1073394183 /nfs/dbraw/zinc/39/41/83/1073394183.db2.gz OUEMALVMAUNMCH-UHFFFAOYSA-N 0 3 449.527 -0.007 20 0 IBADHN CC(C)[C@H](CNC(=O)C(=O)NCc1cccnc1N1CCN(C)CC1)N1CCN(C)CC1 ZINC000555922923 1073393562 /nfs/dbraw/zinc/39/35/62/1073393562.db2.gz WJFOYBBXKVNOAF-FQEVSTJZSA-N 0 3 445.612 -0.162 20 0 IBADHN CC(C)[C@@H](CNC(=O)C(=O)NCc1cccnc1N1CCN(C)CC1)N1CCN(C)CC1 ZINC000555922924 1073393673 /nfs/dbraw/zinc/39/36/73/1073393673.db2.gz WJFOYBBXKVNOAF-HXUWFJFHSA-N 0 3 445.612 -0.162 20 0 IBADHN CC(C)Nc1nc(NCCO)nc(NCc2cccnc2N2CCC(C(N)=O)CC2)n1 ZINC000555924721 1073394945 /nfs/dbraw/zinc/39/49/45/1073394945.db2.gz DKDSSIIGJMHMJQ-UHFFFAOYSA-N 0 3 429.529 -0.929 20 0 IBADHN CS(=O)(=O)c1ccc(CNC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)cc1 ZINC000555934099 1073395043 /nfs/dbraw/zinc/39/50/43/1073395043.db2.gz PSKAZIVMWQOWSZ-UHFFFAOYSA-N 0 3 436.534 -0.527 20 0 IBADHN CCCS(=O)(=O)N1CCC(NC(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)CC1 ZINC000555965371 1073397405 /nfs/dbraw/zinc/39/74/05/1073397405.db2.gz ZNZKGMGSLAFLIE-UHFFFAOYSA-N 0 3 431.603 -0.551 20 0 IBADHN O=C(NCc1ccc(C(=O)N2CCNC(=O)C2)cc1)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000555985284 1073399261 /nfs/dbraw/zinc/39/92/61/1073399261.db2.gz KNDXUNGRTQLUMU-GOSISDBHSA-N 0 3 427.505 -0.429 20 0 IBADHN O=C(NCc1ccc(C(=O)N2CCNC(=O)C2)cc1)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000555985288 1073399426 /nfs/dbraw/zinc/39/94/26/1073399426.db2.gz KNDXUNGRTQLUMU-SFHVURJKSA-N 0 3 427.505 -0.429 20 0 IBADHN C[C@H]1CN(CC(C)(C)O)CCN1C(=O)C(=O)NCc1ccnc(N2CCN(C)CC2)c1 ZINC000555996543 1073401432 /nfs/dbraw/zinc/40/14/32/1073401432.db2.gz AJQWKUFSEKJRSV-KRWDZBQOSA-N 0 3 432.569 -0.247 20 0 IBADHN C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)C(=O)NCc1ccnc(N2CCN(C)CC2)c1 ZINC000555996544 1073401536 /nfs/dbraw/zinc/40/15/36/1073401536.db2.gz AJQWKUFSEKJRSV-QGZVFWFLSA-N 0 3 432.569 -0.247 20 0 IBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NCc2cccnc2N2CCOCC2)CC1 ZINC000556006456 1073403030 /nfs/dbraw/zinc/40/30/30/1073403030.db2.gz MSXYAQVWGLPLNA-UHFFFAOYSA-N 0 3 446.552 -0.453 20 0 IBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)NCc1cccnc1N1CCOCC1 ZINC000556008314 1073404947 /nfs/dbraw/zinc/40/49/47/1073404947.db2.gz OUQRNZUVIXUROO-GOSISDBHSA-N 0 3 446.552 -0.407 20 0 IBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)NCc1cccnc1N1CCOCC1 ZINC000556008316 1073404883 /nfs/dbraw/zinc/40/48/83/1073404883.db2.gz OUQRNZUVIXUROO-SFHVURJKSA-N 0 3 446.552 -0.407 20 0 IBADHN CCN1CCN(Cc2ccccc2CNC(=O)C(=O)N2CCN(C(=O)COC)CC2)CC1 ZINC000556050964 1073406914 /nfs/dbraw/zinc/40/69/14/1073406914.db2.gz RDVWHSVVUHZDQZ-UHFFFAOYSA-N 0 3 445.564 -0.243 20 0 IBADHN CCN1CCN(Cc2ccccc2CNC(=O)C(=O)N2CCN3CCOC[C@@H]3C2)CC1 ZINC000556051698 1073407576 /nfs/dbraw/zinc/40/75/76/1073407576.db2.gz VNHKKJTZRAVFME-NRFANRHFSA-N 0 3 429.565 -0.017 20 0 IBADHN CCN1CCN(Cc2ccccc2CNC(=O)C(=O)N2CCN3CCOC[C@H]3C2)CC1 ZINC000556051699 1073407591 /nfs/dbraw/zinc/40/75/91/1073407591.db2.gz VNHKKJTZRAVFME-OAQYLSRUSA-N 0 3 429.565 -0.017 20 0 IBADHN Cc1nc(S(=O)(=O)N2CCN(C(=O)C(=O)NCCN3CCC[C@H](C)C3)CC2)cn1C ZINC000556085044 1072817290 /nfs/dbraw/zinc/81/72/90/1072817290.db2.gz KJAZCVYCSQMWOD-HNNXBMFYSA-N 0 3 440.570 -0.590 20 0 IBADHN Cc1nc(S(=O)(=O)N2CCN(C(=O)C(=O)NCCN3CCC[C@@H](C)C3)CC2)cn1C ZINC000556085049 1072817194 /nfs/dbraw/zinc/81/71/94/1072817194.db2.gz KJAZCVYCSQMWOD-OAHLLOKOSA-N 0 3 440.570 -0.590 20 0 IBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)NCC(=O)N(C)Cc1ccccc1 ZINC000556110671 1072821170 /nfs/dbraw/zinc/82/11/70/1072821170.db2.gz OFKOOSATXQICMO-GOSISDBHSA-N 0 3 431.537 -0.180 20 0 IBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)NCC(=O)N(C)Cc1ccccc1 ZINC000556110676 1072821104 /nfs/dbraw/zinc/82/11/04/1072821104.db2.gz OFKOOSATXQICMO-SFHVURJKSA-N 0 3 431.537 -0.180 20 0 IBADHN C[C@H](CN1CCCCC1)NC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 ZINC000556112363 1072821631 /nfs/dbraw/zinc/82/16/31/1072821631.db2.gz GPKGYPDIMOHWDK-GOSISDBHSA-N 0 3 445.568 -0.048 20 0 IBADHN C[C@@H](CN1CCCCC1)NC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 ZINC000556112366 1072821602 /nfs/dbraw/zinc/82/16/02/1072821602.db2.gz GPKGYPDIMOHWDK-SFHVURJKSA-N 0 3 445.568 -0.048 20 0 IBADHN COCCCNC(=O)[C@H](C)N1CCN(C(=O)C(=O)N[C@H](C)CN2CCCCC2)CC1 ZINC000556112694 1072821666 /nfs/dbraw/zinc/82/16/66/1072821666.db2.gz ICHJMRXNKAIDAN-MSOLQXFVSA-N 0 3 425.574 -0.338 20 0 IBADHN COCCCNC(=O)[C@@H](C)N1CCN(C(=O)C(=O)N[C@H](C)CN2CCCCC2)CC1 ZINC000556112695 1072821569 /nfs/dbraw/zinc/82/15/69/1072821569.db2.gz ICHJMRXNKAIDAN-QZTJIDSGSA-N 0 3 425.574 -0.338 20 0 IBADHN COCCCNC(=O)[C@H](C)N1CCN(C(=O)C(=O)N[C@@H](C)CN2CCCCC2)CC1 ZINC000556112698 1072821823 /nfs/dbraw/zinc/82/18/23/1072821823.db2.gz ICHJMRXNKAIDAN-ROUUACIJSA-N 0 3 425.574 -0.338 20 0 IBADHN COCCCNC(=O)[C@@H](C)N1CCN(C(=O)C(=O)N[C@@H](C)CN2CCCCC2)CC1 ZINC000556112701 1072821733 /nfs/dbraw/zinc/82/17/33/1072821733.db2.gz ICHJMRXNKAIDAN-ZWKOTPCHSA-N 0 3 425.574 -0.338 20 0 IBADHN CN(Cc1ccccc1)C(=O)CNC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000556113408 1072821812 /nfs/dbraw/zinc/82/18/12/1072821812.db2.gz PQYCKLITRQQMDL-UHFFFAOYSA-N 0 3 429.521 -0.472 20 0 IBADHN CNC(=O)[C@@H]1CN(C(=O)C(=O)NCCCN2CCN(C)C[C@@H]2c2ccccc2)CCO1 ZINC000556115040 1072819759 /nfs/dbraw/zinc/81/97/59/1072819759.db2.gz OSGLUMIYDQSLLT-MOPGFXCFSA-N 0 3 431.537 -0.545 20 0 IBADHN CNC(=O)[C@@H]1CN(C(=O)C(=O)NCCCN2CCN(C)C[C@H]2c2ccccc2)CCO1 ZINC000556115041 1072820012 /nfs/dbraw/zinc/82/00/12/1072820012.db2.gz OSGLUMIYDQSLLT-OALUTQOASA-N 0 3 431.537 -0.545 20 0 IBADHN CNC(=O)[C@H]1CN(C(=O)C(=O)NCCCN2CCN(C)C[C@H]2c2ccccc2)CCO1 ZINC000556115042 1072819715 /nfs/dbraw/zinc/81/97/15/1072819715.db2.gz OSGLUMIYDQSLLT-RBUKOAKNSA-N 0 3 431.537 -0.545 20 0 IBADHN CNC(=O)[C@H]1CN(C(=O)C(=O)NCCCN2CCN(C)C[C@@H]2c2ccccc2)CCO1 ZINC000556115043 1072819903 /nfs/dbraw/zinc/81/99/03/1072819903.db2.gz OSGLUMIYDQSLLT-RTBURBONSA-N 0 3 431.537 -0.545 20 0 IBADHN CNC(=O)N[C@H]1CCN(C(=O)C(=O)NCCCN2CCN(Cc3ccccc3)CC2)C1 ZINC000556118378 1072823033 /nfs/dbraw/zinc/82/30/33/1072823033.db2.gz ZLWSQZMIMWYZHT-IBGZPJMESA-N 0 3 430.553 -0.160 20 0 IBADHN CNC(=O)N[C@@H]1CCN(C(=O)C(=O)NCCCN2CCN(Cc3ccccc3)CC2)C1 ZINC000556118383 1072822845 /nfs/dbraw/zinc/82/28/45/1072822845.db2.gz ZLWSQZMIMWYZHT-LJQANCHMSA-N 0 3 430.553 -0.160 20 0 IBADHN O=C(NCCCN1CCc2ccccc2C1)C(=O)NCCNS(=O)(=O)Cc1ccon1 ZINC000556125173 1072822415 /nfs/dbraw/zinc/82/24/15/1072822415.db2.gz JUCSZCJHMNEGFN-UHFFFAOYSA-N 0 3 449.533 -0.225 20 0 IBADHN CNS(=O)(=O)c1cccc(CNC(=O)C(=O)N2CCN(c3ccncc3OC)CC2)c1 ZINC000556126278 1072823587 /nfs/dbraw/zinc/82/35/87/1072823587.db2.gz HROVVMKUNIPVHB-UHFFFAOYSA-N 0 3 447.517 -0.037 20 0 IBADHN CN(C)C(=O)c1cccc(CNC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)c1 ZINC000556133983 1072822683 /nfs/dbraw/zinc/82/26/83/1072822683.db2.gz ISRPMKDGDSBWFE-GOSISDBHSA-N 0 3 429.521 -0.230 20 0 IBADHN CN(C)C(=O)c1cccc(CNC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)c1 ZINC000556133985 1072822796 /nfs/dbraw/zinc/82/27/96/1072822796.db2.gz ISRPMKDGDSBWFE-SFHVURJKSA-N 0 3 429.521 -0.230 20 0 IBADHN CN(C)C(=O)c1cccc(CNC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)c1 ZINC000556136138 1072823520 /nfs/dbraw/zinc/82/35/20/1072823520.db2.gz HRDPCRFYCSVMDF-UHFFFAOYSA-N 0 3 429.521 -0.229 20 0 IBADHN COCCOc1ncccc1CNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000556151749 1072824617 /nfs/dbraw/zinc/82/46/17/1072824617.db2.gz WXJMUDNQWCDUDP-KRWDZBQOSA-N 0 3 433.509 -0.512 20 0 IBADHN COCCOc1ncccc1CNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000556151750 1072825222 /nfs/dbraw/zinc/82/52/22/1072825222.db2.gz WXJMUDNQWCDUDP-QGZVFWFLSA-N 0 3 433.509 -0.512 20 0 IBADHN CN1CCN(CCCCNC(=O)C(=O)N2CCCC[C@H]2CCNS(C)(=O)=O)CC1 ZINC000556168616 1072826208 /nfs/dbraw/zinc/82/62/08/1072826208.db2.gz UTIZCPZEDUYLIO-KRWDZBQOSA-N 0 3 431.603 -0.549 20 0 IBADHN CN1CCN(CCCCNC(=O)C(=O)N2CCCC[C@@H]2CCNS(C)(=O)=O)CC1 ZINC000556168617 1072826464 /nfs/dbraw/zinc/82/64/64/1072826464.db2.gz UTIZCPZEDUYLIO-QGZVFWFLSA-N 0 3 431.603 -0.549 20 0 IBADHN C[C@H]1CN(C(=O)C(=O)NCCCCN2CCN(C)CC2)CCN1c1nccn2cnnc12 ZINC000556170888 1072827236 /nfs/dbraw/zinc/82/72/36/1072827236.db2.gz LAHWYMVACARCBY-KRWDZBQOSA-N 0 3 443.556 -0.695 20 0 IBADHN C[C@@H]1CN(C(=O)C(=O)NCCCCN2CCN(C)CC2)CCN1c1nccn2cnnc12 ZINC000556170889 1072827482 /nfs/dbraw/zinc/82/74/82/1072827482.db2.gz LAHWYMVACARCBY-QGZVFWFLSA-N 0 3 443.556 -0.695 20 0 IBADHN CN(C)CCN(Cc1ccco1)C(=O)C(=O)NCCN1CCN(c2ncccn2)CC1 ZINC000556193349 1072831889 /nfs/dbraw/zinc/83/18/89/1072831889.db2.gz HJBWAWIUFHUFKH-UHFFFAOYSA-N 0 3 429.525 -0.102 20 0 IBADHN Cc1cc(NC(=O)CN2CCN(C(=O)C(=O)NC[C@@]3(N(C)C)CCSC3)CC2)no1 ZINC000556204836 1073329536 /nfs/dbraw/zinc/32/95/36/1073329536.db2.gz MVHTZDPQMPGCQI-IBGZPJMESA-N 0 3 438.554 -0.381 20 0 IBADHN Cc1cc(NC(=O)CN2CCN(C(=O)C(=O)NC[C@]3(N(C)C)CCSC3)CC2)no1 ZINC000556204841 1073329358 /nfs/dbraw/zinc/32/93/58/1073329358.db2.gz MVHTZDPQMPGCQI-LJQANCHMSA-N 0 3 438.554 -0.381 20 0 IBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCc2ccccc2N2CCOCC2)CC1 ZINC000556206413 1072832414 /nfs/dbraw/zinc/83/24/14/1072832414.db2.gz UNQVZGWGEUYKQA-FQEVSTJZSA-N 0 3 443.548 -0.096 20 0 IBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCc2ccccc2N2CCOCC2)CC1 ZINC000556206418 1072832542 /nfs/dbraw/zinc/83/25/42/1072832542.db2.gz UNQVZGWGEUYKQA-HXUWFJFHSA-N 0 3 443.548 -0.096 20 0 IBADHN C[C@@H]1CN(C(=O)C(=O)NC[C@]2(N(C)C)CCSC2)CCN1c1nccn2cnnc12 ZINC000556206558 1072832567 /nfs/dbraw/zinc/83/25/67/1072832567.db2.gz MJOKWRMDVKBIMG-AUUYWEPGSA-N 0 3 432.554 -0.285 20 0 IBADHN C[C@H]1CN(C(=O)C(=O)NC[C@]2(N(C)C)CCSC2)CCN1c1nccn2cnnc12 ZINC000556206561 1072832592 /nfs/dbraw/zinc/83/25/92/1072832592.db2.gz MJOKWRMDVKBIMG-IFXJQAMLSA-N 0 3 432.554 -0.285 20 0 IBADHN C[C@@H]1CN(C(=O)C(=O)NC[C@@]2(N(C)C)CCSC2)CCN1c1nccn2cnnc12 ZINC000556206564 1072832214 /nfs/dbraw/zinc/83/22/14/1072832214.db2.gz MJOKWRMDVKBIMG-KUHUBIRLSA-N 0 3 432.554 -0.285 20 0 IBADHN C[C@H]1CN(C(=O)C(=O)NC[C@@]2(N(C)C)CCSC2)CCN1c1nccn2cnnc12 ZINC000556206565 1072832507 /nfs/dbraw/zinc/83/25/07/1072832507.db2.gz MJOKWRMDVKBIMG-LIRRHRJNSA-N 0 3 432.554 -0.285 20 0 IBADHN CN(C)[C@]1(CNC(=O)C(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)CCSC1 ZINC000556207604 1072833063 /nfs/dbraw/zinc/83/30/63/1072833063.db2.gz QUEGMFPLDOAIKO-FQEVSTJZSA-N 0 3 449.581 -0.815 20 0 IBADHN CN(C)[C@@]1(CNC(=O)C(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)CCSC1 ZINC000556207607 1072833207 /nfs/dbraw/zinc/83/32/07/1072833207.db2.gz QUEGMFPLDOAIKO-HXUWFJFHSA-N 0 3 449.581 -0.815 20 0 IBADHN CN(C)[C@]1(CNC(=O)C(=O)N2CCN(CC(=O)N3CCCCC3)CC2)CCSC1 ZINC000556209543 1072833680 /nfs/dbraw/zinc/83/36/80/1072833680.db2.gz YBELWGDAYPBINM-FQEVSTJZSA-N 0 3 425.599 -0.303 20 0 IBADHN CN(C)[C@@]1(CNC(=O)C(=O)N2CCN(CC(=O)N3CCCCC3)CC2)CCSC1 ZINC000556209544 1072833619 /nfs/dbraw/zinc/83/36/19/1072833619.db2.gz YBELWGDAYPBINM-HXUWFJFHSA-N 0 3 425.599 -0.303 20 0 IBADHN C[C@@H](CNC(=O)C(=O)N[C@H]1CCCN(Cc2ccccn2)C1=O)CN1CCN(C)CC1 ZINC000556353495 1072848440 /nfs/dbraw/zinc/84/84/40/1072848440.db2.gz BMJRALCVTUCRFO-HKUYNNGSSA-N 0 3 430.553 -0.312 20 0 IBADHN C[C@H](CNC(=O)C(=O)N[C@@H]1CCCN(Cc2ccccn2)C1=O)CN1CCN(C)CC1 ZINC000556353496 1072848404 /nfs/dbraw/zinc/84/84/04/1072848404.db2.gz BMJRALCVTUCRFO-IEBWSBKVSA-N 0 3 430.553 -0.312 20 0 IBADHN C[C@H](CNC(=O)C(=O)N[C@H]1CCCN(Cc2ccccn2)C1=O)CN1CCN(C)CC1 ZINC000556353497 1072848933 /nfs/dbraw/zinc/84/89/33/1072848933.db2.gz BMJRALCVTUCRFO-MJGOQNOKSA-N 0 3 430.553 -0.312 20 0 IBADHN C[C@@H](CNC(=O)C(=O)N[C@@H]1CCCN(Cc2ccccn2)C1=O)CN1CCN(C)CC1 ZINC000556353498 1072849088 /nfs/dbraw/zinc/84/90/88/1072849088.db2.gz BMJRALCVTUCRFO-PKOBYXMFSA-N 0 3 430.553 -0.312 20 0 IBADHN CNS(=O)(=O)c1cccc([C@H](C)NC(=O)C(=O)NC[C@@H](C)CN2CCN(C)CC2)c1 ZINC000556355432 1072846893 /nfs/dbraw/zinc/84/68/93/1072846893.db2.gz RIWFWACVUPDEQA-CVEARBPZSA-N 0 3 439.582 -0.228 20 0 IBADHN CNS(=O)(=O)c1cccc([C@H](C)NC(=O)C(=O)NC[C@H](C)CN2CCN(C)CC2)c1 ZINC000556355439 1072846968 /nfs/dbraw/zinc/84/69/68/1072846968.db2.gz RIWFWACVUPDEQA-HOTGVXAUSA-N 0 3 439.582 -0.228 20 0 IBADHN CNS(=O)(=O)c1cccc([C@@H](C)NC(=O)C(=O)NC[C@@H](C)CN2CCN(C)CC2)c1 ZINC000556355441 1072847891 /nfs/dbraw/zinc/84/78/91/1072847891.db2.gz RIWFWACVUPDEQA-HZPDHXFCSA-N 0 3 439.582 -0.228 20 0 IBADHN CNS(=O)(=O)c1cccc([C@@H](C)NC(=O)C(=O)NC[C@H](C)CN2CCN(C)CC2)c1 ZINC000556355445 1072847728 /nfs/dbraw/zinc/84/77/28/1072847728.db2.gz RIWFWACVUPDEQA-JKSUJKDBSA-N 0 3 439.582 -0.228 20 0 IBADHN C[C@@H](CNC(=O)C(=O)NCCOc1ccc(S(C)(=O)=O)cc1)CN1CCN(C)CC1 ZINC000556355710 1072847299 /nfs/dbraw/zinc/84/72/99/1072847299.db2.gz RSVTYDCLBYRZFZ-INIZCTEOSA-N 0 3 440.566 -0.415 20 0 IBADHN C[C@H](CNC(=O)C(=O)NCCOc1ccc(S(C)(=O)=O)cc1)CN1CCN(C)CC1 ZINC000556355717 1072847083 /nfs/dbraw/zinc/84/70/83/1072847083.db2.gz RSVTYDCLBYRZFZ-MRXNPFEDSA-N 0 3 440.566 -0.415 20 0 IBADHN COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)C(=O)NC[C@@H](C)CN2CCN(C)CC2)C1 ZINC000556355936 1072849055 /nfs/dbraw/zinc/84/90/55/1072849055.db2.gz HNKHCGILZCRQJG-FGTMMUONSA-N 0 3 425.574 -0.624 20 0 IBADHN COCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)C(=O)NC[C@@H](C)CN2CCN(C)CC2)C1 ZINC000556355937 1072848789 /nfs/dbraw/zinc/84/87/89/1072848789.db2.gz HNKHCGILZCRQJG-KZNAEPCWSA-N 0 3 425.574 -0.624 20 0 IBADHN COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)C(=O)NC[C@H](C)CN2CCN(C)CC2)C1 ZINC000556355939 1072848998 /nfs/dbraw/zinc/84/89/98/1072848998.db2.gz HNKHCGILZCRQJG-OKZBNKHCSA-N 0 3 425.574 -0.624 20 0 IBADHN COCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)C(=O)NC[C@H](C)CN2CCN(C)CC2)C1 ZINC000556355940 1070899595 /nfs/dbraw/zinc/89/95/95/1070899595.db2.gz HNKHCGILZCRQJG-RCCFBDPRSA-N 0 3 425.574 -0.624 20 0 IBADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)NCCCn2nc3n(c2=O)CCCC3)CC1 ZINC000556356478 1072848013 /nfs/dbraw/zinc/84/80/13/1072848013.db2.gz ZDXJLXYJUNPVQY-KRWDZBQOSA-N 0 3 435.573 -0.723 20 0 IBADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)NCCCn2nc3n(c2=O)CCCC3)CC1 ZINC000556356479 1072847952 /nfs/dbraw/zinc/84/79/52/1072847952.db2.gz ZDXJLXYJUNPVQY-QGZVFWFLSA-N 0 3 435.573 -0.723 20 0 IBADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N[C@H]2CCCN(Cc3nccn3C)C2=O)CC1 ZINC000556356750 1072847670 /nfs/dbraw/zinc/84/76/70/1072847670.db2.gz RBZSANKNYOQPEQ-MSOLQXFVSA-N 0 3 447.584 -0.583 20 0 IBADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N[C@@H]2CCCN(Cc3nccn3C)C2=O)CC1 ZINC000556356751 1072847816 /nfs/dbraw/zinc/84/78/16/1072847816.db2.gz RBZSANKNYOQPEQ-QZTJIDSGSA-N 0 3 447.584 -0.583 20 0 IBADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N[C@H]2CCCN(Cc3nccn3C)C2=O)CC1 ZINC000556356752 1072847501 /nfs/dbraw/zinc/84/75/01/1072847501.db2.gz RBZSANKNYOQPEQ-ROUUACIJSA-N 0 3 447.584 -0.583 20 0 IBADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N[C@@H]2CCCN(Cc3nccn3C)C2=O)CC1 ZINC000556356753 1072847545 /nfs/dbraw/zinc/84/75/45/1072847545.db2.gz RBZSANKNYOQPEQ-ZWKOTPCHSA-N 0 3 447.584 -0.583 20 0 IBADHN C[C@@H](CNC(=O)C(=O)N1CCN(CC(=O)Nc2ccccc2)CC1)CN1CCN(C)CC1 ZINC000556368189 1072848825 /nfs/dbraw/zinc/84/88/25/1072848825.db2.gz AHXGTUXHBKJJGG-IBGZPJMESA-N 0 3 444.580 -0.231 20 0 IBADHN C[C@H](CNC(=O)C(=O)N1CCN(CC(=O)Nc2ccccc2)CC1)CN1CCN(C)CC1 ZINC000556368193 1072848897 /nfs/dbraw/zinc/84/88/97/1072848897.db2.gz AHXGTUXHBKJJGG-LJQANCHMSA-N 0 3 444.580 -0.231 20 0 IBADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N2C[C@H](C(=O)NCCOC)CC[C@@H]2C)CC1 ZINC000556369508 1072850352 /nfs/dbraw/zinc/85/03/52/1072850352.db2.gz SEWLEOMQUJZEOX-CEXWTWQISA-N 0 3 439.601 -0.234 20 0 IBADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N2C[C@H](C(=O)NCCOC)CC[C@H]2C)CC1 ZINC000556369509 1072850281 /nfs/dbraw/zinc/85/02/81/1072850281.db2.gz SEWLEOMQUJZEOX-GUDVDZBRSA-N 0 3 439.601 -0.234 20 0 IBADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N2C[C@@H](C(=O)NCCOC)CC[C@H]2C)CC1 ZINC000556369511 1072850083 /nfs/dbraw/zinc/85/00/83/1072850083.db2.gz SEWLEOMQUJZEOX-QRVBRYPASA-N 0 3 439.601 -0.234 20 0 IBADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N2C[C@@H](C(=O)NCCOC)CC[C@@H]2C)CC1 ZINC000556369512 1072850399 /nfs/dbraw/zinc/85/03/99/1072850399.db2.gz SEWLEOMQUJZEOX-QYZOEREBSA-N 0 3 439.601 -0.234 20 0 IBADHN C[C@@H](CNC(=O)C(=O)NCc1cccc(OCC(=O)N(C)C)c1)CN1CCN(C)CC1 ZINC000556370876 1072850851 /nfs/dbraw/zinc/85/08/51/1072850851.db2.gz QZFDXDZHOBELET-KRWDZBQOSA-N 0 3 433.553 -0.231 20 0 IBADHN C[C@H](CNC(=O)C(=O)NCc1cccc(OCC(=O)N(C)C)c1)CN1CCN(C)CC1 ZINC000556370880 1072850805 /nfs/dbraw/zinc/85/08/05/1072850805.db2.gz QZFDXDZHOBELET-QGZVFWFLSA-N 0 3 433.553 -0.231 20 0 IBADHN C[C@@H](CNC(=O)C(=O)NCCN1CCN(c2ccccc2)CC1)CN1CCN(C)CC1 ZINC000556371845 1072850976 /nfs/dbraw/zinc/85/09/76/1072850976.db2.gz UBRXYTRQDGPNQF-FQEVSTJZSA-N 0 3 430.597 -0.076 20 0 IBADHN C[C@H](CNC(=O)C(=O)NCCN1CCN(c2ccccc2)CC1)CN1CCN(C)CC1 ZINC000556371847 1072851070 /nfs/dbraw/zinc/85/10/70/1072851070.db2.gz UBRXYTRQDGPNQF-HXUWFJFHSA-N 0 3 430.597 -0.076 20 0 IBADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N2CCN(c3cc(OC)ncn3)CC2)CC1 ZINC000556372743 1072851376 /nfs/dbraw/zinc/85/13/76/1072851376.db2.gz XUXGAHQJSZQAIL-KRWDZBQOSA-N 0 3 433.557 -0.476 20 0 IBADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N2CCN(c3cc(OC)ncn3)CC2)CC1 ZINC000556372744 1072851521 /nfs/dbraw/zinc/85/15/21/1072851521.db2.gz XUXGAHQJSZQAIL-QGZVFWFLSA-N 0 3 433.557 -0.476 20 0 IBADHN C[C@H]1CN(C(=O)C(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)CCN(C2CCC2)C1 ZINC000556437096 1072861229 /nfs/dbraw/zinc/86/12/29/1072861229.db2.gz XXQFYOMUGFONJF-CYBMUJFWSA-N 0 3 428.493 -0.097 20 0 IBADHN C[C@@H]1CN(C(=O)C(=O)Nc2cnc3c(c2)c(=O)n(C)c(=O)n3C)CCN(C2CCC2)C1 ZINC000556437097 1072861861 /nfs/dbraw/zinc/86/18/61/1072861861.db2.gz XXQFYOMUGFONJF-ZDUSSCGKSA-N 0 3 428.493 -0.097 20 0 IBADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)NCCn3cc(C(=O)OC)nn3)cc2)CC1 ZINC000556534734 1072876667 /nfs/dbraw/zinc/87/66/67/1072876667.db2.gz WJDXSDKFMUJREM-UHFFFAOYSA-N 0 3 443.508 -0.043 20 0 IBADHN CN(C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000556641103 1072892640 /nfs/dbraw/zinc/89/26/40/1072892640.db2.gz VFRJVPMWCIDNOG-GOSISDBHSA-N 0 3 429.521 -0.775 20 0 IBADHN CN(C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000556641108 1072892583 /nfs/dbraw/zinc/89/25/83/1072892583.db2.gz VFRJVPMWCIDNOG-SFHVURJKSA-N 0 3 429.521 -0.775 20 0 IBADHN CCN(CCCNC(=O)C(=O)N1CCN(c2ccncc2OC)CC1)S(C)(=O)=O ZINC000556651995 1072894090 /nfs/dbraw/zinc/89/40/90/1072894090.db2.gz VDBQAGFABIMMBH-UHFFFAOYSA-N 0 3 427.527 -0.473 20 0 IBADHN CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NC[C@]2(O)CN3CCC2CC3)c1 ZINC000556851741 1072916034 /nfs/dbraw/zinc/91/60/34/1072916034.db2.gz XCUSDVCVYBTWBD-IBGZPJMESA-N 0 3 426.539 -0.548 20 0 IBADHN CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NC[C@@]2(O)CN3CCC2CC3)c1 ZINC000556851744 1072915995 /nfs/dbraw/zinc/91/59/95/1072915995.db2.gz XCUSDVCVYBTWBD-LJQANCHMSA-N 0 3 426.539 -0.548 20 0 IBADHN COCCN(C)CCN1C[C@H](NC(=O)c2cc(S(N)(=O)=O)ccc2OC)CC1=O ZINC000556925740 1072925742 /nfs/dbraw/zinc/92/57/42/1072925742.db2.gz AAFWMOGJGZKTMY-CYBMUJFWSA-N 0 3 428.511 -0.749 20 0 IBADHN COCCN(C)CCN1C[C@@H](NC(=O)c2cc(S(N)(=O)=O)ccc2OC)CC1=O ZINC000556925741 1072925855 /nfs/dbraw/zinc/92/58/55/1072925855.db2.gz AAFWMOGJGZKTMY-ZDUSSCGKSA-N 0 3 428.511 -0.749 20 0 IBADHN COCCN(C)CCN1C[C@@H](NC(=O)CN2C(=O)N(C)C3(CCCCC3)C2=O)CC1=O ZINC000556929410 1072926399 /nfs/dbraw/zinc/92/63/99/1072926399.db2.gz ALWJVTIIKRZOSC-INIZCTEOSA-N 0 3 437.541 -0.121 20 0 IBADHN COCCN(C)CCN1C[C@H](NC(=O)CN2C(=O)N(C)C3(CCCCC3)C2=O)CC1=O ZINC000556929411 1072926436 /nfs/dbraw/zinc/92/64/36/1072926436.db2.gz ALWJVTIIKRZOSC-MRXNPFEDSA-N 0 3 437.541 -0.121 20 0 IBADHN CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)N2C[C@H](O)[C@@H](N(C)C)C2)c1 ZINC000556973417 1072928435 /nfs/dbraw/zinc/92/84/35/1072928435.db2.gz MVBKGPONOIERMT-IRXDYDNUSA-N 0 3 426.539 -0.420 20 0 IBADHN CN(C)[C@H]1CN(C(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCOCC2)C[C@@H]1O ZINC000556975289 1072929240 /nfs/dbraw/zinc/92/92/40/1072929240.db2.gz RRNAJYVDNMLIJW-ROUUACIJSA-N 0 3 426.539 -0.480 20 0 IBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NC2CCN(c3nccs3)CC2)CC1 ZINC000557020955 1072933268 /nfs/dbraw/zinc/93/32/68/1072933268.db2.gz XPAFWSJYSUSCEV-INIZCTEOSA-N 0 3 434.566 -0.007 20 0 IBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NC2CCN(c3nccs3)CC2)CC1 ZINC000557020957 1072933237 /nfs/dbraw/zinc/93/32/37/1072933237.db2.gz XPAFWSJYSUSCEV-MRXNPFEDSA-N 0 3 434.566 -0.007 20 0 IBADHN CN(C)[C@H](CNC(=O)C(=O)N1CCN(C(=O)CN2CCOCC2)CC1)Cc1ccccc1 ZINC000557054323 1072936952 /nfs/dbraw/zinc/93/69/52/1072936952.db2.gz NINXKMLURGWKIO-FQEVSTJZSA-N 0 3 445.564 -0.722 20 0 IBADHN CN(C)[C@@H](CNC(=O)C(=O)N1CCN(C(=O)CN2CCOCC2)CC1)Cc1ccccc1 ZINC000557054324 1072936767 /nfs/dbraw/zinc/93/67/67/1072936767.db2.gz NINXKMLURGWKIO-HXUWFJFHSA-N 0 3 445.564 -0.722 20 0 IBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N[C@@H]2CCN(Cc3ccccc3)C2=O)CC1 ZINC000557235646 1074688020 /nfs/dbraw/zinc/68/80/20/1074688020.db2.gz PNORIVYXZSXEAR-MOPGFXCFSA-N 0 3 441.532 -0.331 20 0 IBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N[C@H]2CCN(Cc3ccccc3)C2=O)CC1 ZINC000557235647 1074688010 /nfs/dbraw/zinc/68/80/10/1074688010.db2.gz PNORIVYXZSXEAR-OALUTQOASA-N 0 3 441.532 -0.331 20 0 IBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N[C@H]2CCN(Cc3ccccc3)C2=O)CC1 ZINC000557235649 1074688054 /nfs/dbraw/zinc/68/80/54/1074688054.db2.gz PNORIVYXZSXEAR-RBUKOAKNSA-N 0 3 441.532 -0.331 20 0 IBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N[C@@H]2CCN(Cc3ccccc3)C2=O)CC1 ZINC000557235652 1074687980 /nfs/dbraw/zinc/68/79/80/1074687980.db2.gz PNORIVYXZSXEAR-RTBURBONSA-N 0 3 441.532 -0.331 20 0 IBADHN O=C(CN1CCCC1)N1CCN(C(=O)C(=O)N[C@H]2CCN(Cc3ccccc3)C2=O)CC1 ZINC000557240549 1074688547 /nfs/dbraw/zinc/68/85/47/1074688547.db2.gz SRHDBORFPYIWLM-IBGZPJMESA-N 0 3 441.532 -0.330 20 0 IBADHN O=C(CN1CCCC1)N1CCN(C(=O)C(=O)N[C@@H]2CCN(Cc3ccccc3)C2=O)CC1 ZINC000557240550 1074688405 /nfs/dbraw/zinc/68/84/05/1074688405.db2.gz SRHDBORFPYIWLM-LJQANCHMSA-N 0 3 441.532 -0.330 20 0 IBADHN C[C@@H](CNC(=O)C(=O)NCC1CCN(CC(=O)NC(C)(C)C)CC1)CN1CCOCC1 ZINC000557249575 1074689070 /nfs/dbraw/zinc/68/90/70/1074689070.db2.gz NMWCMNSPMAOXSI-KRWDZBQOSA-N 0 3 439.601 -0.186 20 0 IBADHN C[C@H](CNC(=O)C(=O)NCC1CCN(CC(=O)NC(C)(C)C)CC1)CN1CCOCC1 ZINC000557249587 1074689052 /nfs/dbraw/zinc/68/90/52/1074689052.db2.gz NMWCMNSPMAOXSI-QGZVFWFLSA-N 0 3 439.601 -0.186 20 0 IBADHN C[C@H]1CN(CC2CCN(C(=O)C(=O)NCCNC(=O)c3cnccn3)CC2)C[C@H](C)O1 ZINC000557278763 1074691892 /nfs/dbraw/zinc/69/18/92/1074691892.db2.gz XFESTDWQDSKSPI-HOTGVXAUSA-N 0 3 432.525 -0.330 20 0 IBADHN C[C@@H]1CN(CC2CCN(C(=O)C(=O)NCCNC(=O)c3cnccn3)CC2)C[C@@H](C)O1 ZINC000557278764 1074691902 /nfs/dbraw/zinc/69/19/02/1074691902.db2.gz XFESTDWQDSKSPI-HZPDHXFCSA-N 0 3 432.525 -0.330 20 0 IBADHN C[C@@H]1CN(CC2CCN(C(=O)C(=O)NCCNC(=O)c3cnccn3)CC2)C[C@H](C)O1 ZINC000557278765 1074691871 /nfs/dbraw/zinc/69/18/71/1074691871.db2.gz XFESTDWQDSKSPI-IYBDPMFKSA-N 0 3 432.525 -0.330 20 0 IBADHN O=C(CCNC(=O)C(=O)N1CC[C@@H](N2CCCC2)C1)N1CCN(c2ccccn2)CC1 ZINC000557283328 1074693188 /nfs/dbraw/zinc/69/31/88/1074693188.db2.gz XZTKIVZBJSECEZ-GOSISDBHSA-N 0 3 428.537 -0.067 20 0 IBADHN O=C(CCNC(=O)C(=O)N1CC[C@H](N2CCCC2)C1)N1CCN(c2ccccn2)CC1 ZINC000557283331 1074693167 /nfs/dbraw/zinc/69/31/67/1074693167.db2.gz XZTKIVZBJSECEZ-SFHVURJKSA-N 0 3 428.537 -0.067 20 0 IBADHN CC(C)CN(CCN(C)C)C(=O)C(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 ZINC000557352250 1074695976 /nfs/dbraw/zinc/69/59/76/1074695976.db2.gz XMKFSQAREQSSQY-UHFFFAOYSA-N 0 3 433.557 -0.322 20 0 IBADHN C[C@H]1CN(CC(C)(C)O)CCN1C(=O)C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000557412019 1074698614 /nfs/dbraw/zinc/69/86/14/1074698614.db2.gz NGNFRUYUICEOOV-DLBZAZTESA-N 0 3 425.574 -0.651 20 0 IBADHN C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000557412026 1074698544 /nfs/dbraw/zinc/69/85/44/1074698544.db2.gz NGNFRUYUICEOOV-IAGOWNOFSA-N 0 3 425.574 -0.651 20 0 IBADHN C[C@H]1CN(CC(C)(C)O)CCN1C(=O)C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000557412030 1074698496 /nfs/dbraw/zinc/69/84/96/1074698496.db2.gz NGNFRUYUICEOOV-IRXDYDNUSA-N 0 3 425.574 -0.651 20 0 IBADHN C[C@@H]1CN(CC(C)(C)O)CCN1C(=O)C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000557412033 1074698575 /nfs/dbraw/zinc/69/85/75/1074698575.db2.gz NGNFRUYUICEOOV-SJORKVTESA-N 0 3 425.574 -0.651 20 0 IBADHN Cc1nn(C)c(C)c1[C@@H]1COCCN1C(=O)C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000557413560 1074698585 /nfs/dbraw/zinc/69/85/85/1074698585.db2.gz DVXMGFKHEGZPMN-MSOLQXFVSA-N 0 3 448.568 -0.004 20 0 IBADHN Cc1nn(C)c(C)c1[C@H]1COCCN1C(=O)C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC000557413568 1074698509 /nfs/dbraw/zinc/69/85/09/1074698509.db2.gz DVXMGFKHEGZPMN-QZTJIDSGSA-N 0 3 448.568 -0.004 20 0 IBADHN Cc1nn(C)c(C)c1[C@@H]1COCCN1C(=O)C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000557413571 1074699528 /nfs/dbraw/zinc/69/95/28/1074699528.db2.gz DVXMGFKHEGZPMN-ROUUACIJSA-N 0 3 448.568 -0.004 20 0 IBADHN Cc1nn(C)c(C)c1[C@H]1COCCN1C(=O)C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC000557413574 1074699195 /nfs/dbraw/zinc/69/91/95/1074699195.db2.gz DVXMGFKHEGZPMN-ZWKOTPCHSA-N 0 3 448.568 -0.004 20 0 IBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)N1CCN(c2ncccc2F)CC1 ZINC000557414000 1074698645 /nfs/dbraw/zinc/69/86/45/1074698645.db2.gz CRAMWQBWCPVPID-KRWDZBQOSA-N 0 3 434.516 -0.072 20 0 IBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)N1CCN(c2ncccc2F)CC1 ZINC000557414001 1074698667 /nfs/dbraw/zinc/69/86/67/1074698667.db2.gz CRAMWQBWCPVPID-QGZVFWFLSA-N 0 3 434.516 -0.072 20 0 IBADHN COC(=O)CCN1CCN(C(=O)C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)[C@@H](C)C1 ZINC000557414997 1074699872 /nfs/dbraw/zinc/69/98/72/1074699872.db2.gz PLZQBVSIJZADKE-DLBZAZTESA-N 0 3 439.557 -0.859 20 0 IBADHN COC(=O)CCN1CCN(C(=O)C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)[C@H](C)C1 ZINC000557414998 1074699913 /nfs/dbraw/zinc/69/99/13/1074699913.db2.gz PLZQBVSIJZADKE-IAGOWNOFSA-N 0 3 439.557 -0.859 20 0 IBADHN COC(=O)CCN1CCN(C(=O)C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)[C@@H](C)C1 ZINC000557414999 1074699275 /nfs/dbraw/zinc/69/92/75/1074699275.db2.gz PLZQBVSIJZADKE-IRXDYDNUSA-N 0 3 439.557 -0.859 20 0 IBADHN COC(=O)CCN1CCN(C(=O)C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)[C@H](C)C1 ZINC000557415000 1074699112 /nfs/dbraw/zinc/69/91/12/1074699112.db2.gz PLZQBVSIJZADKE-SJORKVTESA-N 0 3 439.557 -0.859 20 0 IBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)N1CCN(C(=O)c2ccccn2)CC1 ZINC000557415009 1074699216 /nfs/dbraw/zinc/69/92/16/1074699216.db2.gz PSENYVNNPLHWKF-GOSISDBHSA-N 0 3 444.536 -0.575 20 0 IBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)N1CCN(C(=O)c2ccccn2)CC1 ZINC000557415010 1074699245 /nfs/dbraw/zinc/69/92/45/1074699245.db2.gz PSENYVNNPLHWKF-SFHVURJKSA-N 0 3 444.536 -0.575 20 0 IBADHN CNC(=O)c1cccc(CCNC(=O)C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)c1 ZINC000557415160 1074699320 /nfs/dbraw/zinc/69/93/20/1074699320.db2.gz OGAZWGHASPGUIF-GOSISDBHSA-N 0 3 431.537 -0.236 20 0 IBADHN CNC(=O)c1cccc(CCNC(=O)C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)c1 ZINC000557415161 1074699485 /nfs/dbraw/zinc/69/94/85/1074699485.db2.gz OGAZWGHASPGUIF-SFHVURJKSA-N 0 3 431.537 -0.236 20 0 IBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)N1CCCC[C@@H]1CN1CCOCC1 ZINC000557415268 1074699539 /nfs/dbraw/zinc/69/95/39/1074699539.db2.gz UVDWPFQYGYEQLV-MOPGFXCFSA-N 0 3 437.585 -0.241 20 0 IBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)N1CCCC[C@H]1CN1CCOCC1 ZINC000557415269 1074699232 /nfs/dbraw/zinc/69/92/32/1074699232.db2.gz UVDWPFQYGYEQLV-OALUTQOASA-N 0 3 437.585 -0.241 20 0 IBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)N1CCCC[C@H]1CN1CCOCC1 ZINC000557415370 1074699962 /nfs/dbraw/zinc/69/99/62/1074699962.db2.gz UVDWPFQYGYEQLV-RBUKOAKNSA-N 0 3 437.585 -0.241 20 0 IBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)N1CCCC[C@@H]1CN1CCOCC1 ZINC000557415371 1074700076 /nfs/dbraw/zinc/70/00/76/1074700076.db2.gz UVDWPFQYGYEQLV-RTBURBONSA-N 0 3 437.585 -0.241 20 0 IBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)N[C@@H]1CCCN(c2ccn(C)n2)C1=O ZINC000557415458 1074699822 /nfs/dbraw/zinc/69/98/22/1074699822.db2.gz WDGNYCQZWYNJHH-CVEARBPZSA-N 0 3 447.540 -0.909 20 0 IBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)N[C@H]1CCCN(c2ccn(C)n2)C1=O ZINC000557415459 1074699984 /nfs/dbraw/zinc/69/99/84/1074699984.db2.gz WDGNYCQZWYNJHH-HOTGVXAUSA-N 0 3 447.540 -0.909 20 0 IBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)N[C@@H]1CCCN(c2ccn(C)n2)C1=O ZINC000557415460 1074699772 /nfs/dbraw/zinc/69/97/72/1074699772.db2.gz WDGNYCQZWYNJHH-HZPDHXFCSA-N 0 3 447.540 -0.909 20 0 IBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)N[C@H]1CCCN(c2ccn(C)n2)C1=O ZINC000557415461 1074699837 /nfs/dbraw/zinc/69/98/37/1074699837.db2.gz WDGNYCQZWYNJHH-JKSUJKDBSA-N 0 3 447.540 -0.909 20 0 IBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)NCc1ccc(S(C)(=O)=O)s1 ZINC000557415476 1074700315 /nfs/dbraw/zinc/70/03/15/1074700315.db2.gz RFKXXQUPOVGOLD-AWEZNQCLSA-N 0 3 444.579 -0.173 20 0 IBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)NCc1ccc(S(C)(=O)=O)s1 ZINC000557415477 1074700284 /nfs/dbraw/zinc/70/02/84/1074700284.db2.gz RFKXXQUPOVGOLD-CQSZACIVSA-N 0 3 444.579 -0.173 20 0 IBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)NCc1cccc(N2CCOCC2)n1 ZINC000557415822 1074700116 /nfs/dbraw/zinc/70/01/16/1074700116.db2.gz VJWUTAYTHOGRQI-GOSISDBHSA-N 0 3 446.552 -0.407 20 0 IBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)NCc1cccc(N2CCOCC2)n1 ZINC000557415823 1074699801 /nfs/dbraw/zinc/69/98/01/1074699801.db2.gz VJWUTAYTHOGRQI-SFHVURJKSA-N 0 3 446.552 -0.407 20 0 IBADHN COc1cc(OC)cc(C(=O)N2CCN(c3nc(NCCO)nc(NC(C)C)n3)CC2)c1 ZINC000557519258 1074702795 /nfs/dbraw/zinc/70/27/95/1074702795.db2.gz HIYAYEPFCNFGPB-UHFFFAOYSA-N 0 3 445.524 -0.081 20 0 IBADHN CC(C)Nc1nc(NCCO)nc(NCC2CCN(S(=O)(=O)c3ccccc3)CC2)n1 ZINC000557534012 1074703397 /nfs/dbraw/zinc/70/33/97/1074703397.db2.gz GCWBPDOVRLETJE-UHFFFAOYSA-N 0 3 449.581 -0.125 20 0 IBADHN CC(C)Nc1nc(NCCO)nc(N2CCCN(S(=O)(=O)c3ccccc3)CC2)n1 ZINC000557538362 1074703651 /nfs/dbraw/zinc/70/36/51/1074703651.db2.gz OTQAXFVWBKUMID-UHFFFAOYSA-N 0 3 435.554 -0.159 20 0 IBADHN CNS(=O)(=O)c1cccc([C@H](C)NC(=O)C(=O)N(C)CCCN2CCN(C)CC2)c1 ZINC000557545473 1074703693 /nfs/dbraw/zinc/70/36/93/1074703693.db2.gz MZXPZWBVJYVFMG-INIZCTEOSA-N 0 3 439.582 -0.132 20 0 IBADHN CNS(=O)(=O)c1cccc([C@@H](C)NC(=O)C(=O)N(C)CCCN2CCN(C)CC2)c1 ZINC000557545474 1074704129 /nfs/dbraw/zinc/70/41/29/1074704129.db2.gz MZXPZWBVJYVFMG-MRXNPFEDSA-N 0 3 439.582 -0.132 20 0 IBADHN CCN1CCCC[C@H]1CNC(=O)C(=O)N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 ZINC000557554606 1074704362 /nfs/dbraw/zinc/70/43/62/1074704362.db2.gz ODALZRNSRUWHJJ-DLBZAZTESA-N 0 3 432.587 -0.124 20 0 IBADHN CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 ZINC000557554607 1074704040 /nfs/dbraw/zinc/70/40/40/1074704040.db2.gz ODALZRNSRUWHJJ-IAGOWNOFSA-N 0 3 432.587 -0.124 20 0 IBADHN CCN1CCCC[C@H]1CNC(=O)C(=O)N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 ZINC000557554793 1074704087 /nfs/dbraw/zinc/70/40/87/1074704087.db2.gz ODALZRNSRUWHJJ-IRXDYDNUSA-N 0 3 432.587 -0.124 20 0 IBADHN CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 ZINC000557554794 1074704220 /nfs/dbraw/zinc/70/42/20/1074704220.db2.gz ODALZRNSRUWHJJ-SJORKVTESA-N 0 3 432.587 -0.124 20 0 IBADHN CCN1CCN(C(=O)CC2CCN(c3nc(NCCO)nc(NC(C)C)n3)CC2)CC1 ZINC000557572331 1074704584 /nfs/dbraw/zinc/70/45/84/1074704584.db2.gz QHNBRRQUMRNWAW-UHFFFAOYSA-N 0 3 434.589 -0.290 20 0 IBADHN COC(=O)c1ccsc1N1CC[C@@H](Nc2nc(NCCO)nc(NC(C)C)n2)C1=O ZINC000557628613 1074705725 /nfs/dbraw/zinc/70/57/25/1074705725.db2.gz IUEAHNCZALRYBJ-GFCCVEGCSA-N 0 3 435.510 -0.573 20 0 IBADHN COC(=O)c1ccsc1N1CC[C@H](Nc2nc(NCCO)nc(NC(C)C)n2)C1=O ZINC000557628614 1074705506 /nfs/dbraw/zinc/70/55/06/1074705506.db2.gz IUEAHNCZALRYBJ-LBPRGKRZSA-N 0 3 435.510 -0.573 20 0 IBADHN CC(C)Nc1nc(NCCO)nc(N2CCO[C@H](CN3C(=O)c4ccccc4C3=O)C2)n1 ZINC000557644022 1074705921 /nfs/dbraw/zinc/70/59/21/1074705921.db2.gz OWZZJWXFFNALOU-AWEZNQCLSA-N 0 3 441.492 -0.559 20 0 IBADHN CC(C)Nc1nc(NCCO)nc(N2CCO[C@@H](CN3C(=O)c4ccccc4C3=O)C2)n1 ZINC000557644023 1074706077 /nfs/dbraw/zinc/70/60/77/1074706077.db2.gz OWZZJWXFFNALOU-CQSZACIVSA-N 0 3 441.492 -0.559 20 0 IBADHN CC(C)Nc1nc(NCCO)nc(NCc2ccc(N3CCCS3(=O)=O)c(F)c2)n1 ZINC000557661065 1074706517 /nfs/dbraw/zinc/70/65/17/1074706517.db2.gz WSFISVQEIXYQGA-UHFFFAOYSA-N 0 3 439.517 -0.347 20 0 IBADHN CC(C)Nc1nc(NCCO)nc(N2CCc3c(cccc3S(=O)(=O)N(C)C)C2)n1 ZINC000557673539 1074706803 /nfs/dbraw/zinc/70/68/03/1074706803.db2.gz NCPQVUZVVAXVCN-UHFFFAOYSA-N 0 3 435.554 -0.247 20 0 IBADHN CCCN(CCC)S(=O)(=O)N1CCN(c2nc(NCCO)nc(NC(C)C)n2)CC1 ZINC000557684397 1074706767 /nfs/dbraw/zinc/70/67/67/1074706767.db2.gz GRNBRYWTPZIKAZ-UHFFFAOYSA-N 0 3 444.606 -0.571 20 0 IBADHN Cc1cc(Cl)ccc1S(=O)(=O)NCCNc1nc(NCCO)nc(NC(C)C)n1 ZINC000557763244 1074709991 /nfs/dbraw/zinc/70/99/91/1074709991.db2.gz RIDOTEGWDHXFNS-UHFFFAOYSA-N 0 3 443.961 -0.286 20 0 IBADHN CN1CCN(CCNC(=O)C(=O)NCCOc2ccc(S(C)(=O)=O)cc2)CC1(C)C ZINC000557788806 1074711712 /nfs/dbraw/zinc/71/17/12/1074711712.db2.gz FZEMGDNVIXJSDU-UHFFFAOYSA-N 0 3 440.566 -0.273 20 0 IBADHN COC1CCN(C(C)(C)CNC(=O)C(=O)N2CCN([C@@H](C)C(=O)NC3CC3)CC2)CC1 ZINC000557878057 1074713534 /nfs/dbraw/zinc/71/35/34/1074713534.db2.gz QWZVRUBISBYIIE-INIZCTEOSA-N 0 3 437.585 -0.197 20 0 IBADHN COC1CCN(C(C)(C)CNC(=O)C(=O)N2CCN([C@H](C)C(=O)NC3CC3)CC2)CC1 ZINC000557878065 1074713515 /nfs/dbraw/zinc/71/35/15/1074713515.db2.gz QWZVRUBISBYIIE-MRXNPFEDSA-N 0 3 437.585 -0.197 20 0 IBADHN COC1CCN(C(C)(C)CNC(=O)C(=O)N2CCN(c3nc(N)ns3)CC2)CC1 ZINC000557890597 1074713967 /nfs/dbraw/zinc/71/39/67/1074713967.db2.gz ILGNRWMIMBDLCV-UHFFFAOYSA-N 0 3 425.559 -0.226 20 0 IBADHN COCCO[C@H]1C[C@@H](CO)CN(C(=O)C(=O)NCC(C)(C)N2CCC(OC)CC2)C1 ZINC000557891334 1074713849 /nfs/dbraw/zinc/71/38/49/1074713849.db2.gz NUMBVGKECOMQDH-AEFFLSMTSA-N 0 3 429.558 -0.136 20 0 IBADHN COCCO[C@@H]1C[C@H](CO)CN(C(=O)C(=O)NCC(C)(C)N2CCC(OC)CC2)C1 ZINC000557891335 1074714040 /nfs/dbraw/zinc/71/40/40/1074714040.db2.gz NUMBVGKECOMQDH-FUHWJXTLSA-N 0 3 429.558 -0.136 20 0 IBADHN COCCO[C@@H]1C[C@@H](CO)CN(C(=O)C(=O)NCC(C)(C)N2CCC(OC)CC2)C1 ZINC000557891336 1074713923 /nfs/dbraw/zinc/71/39/23/1074713923.db2.gz NUMBVGKECOMQDH-SJLPKXTDSA-N 0 3 429.558 -0.136 20 0 IBADHN COCCO[C@H]1C[C@H](CO)CN(C(=O)C(=O)NCC(C)(C)N2CCC(OC)CC2)C1 ZINC000557891337 1074714057 /nfs/dbraw/zinc/71/40/57/1074714057.db2.gz NUMBVGKECOMQDH-WMZOPIPTSA-N 0 3 429.558 -0.136 20 0 IBADHN COC1CCN(C(C)(C)CNC(=O)C(=O)N2CCC[C@@H](CNS(C)(=O)=O)C2)CC1 ZINC000557892153 1074713883 /nfs/dbraw/zinc/71/38/83/1074713883.db2.gz QUQYENLWRJYUGA-HNNXBMFYSA-N 0 3 432.587 -0.220 20 0 IBADHN COC1CCN(C(C)(C)CNC(=O)C(=O)N2CCC[C@H](CNS(C)(=O)=O)C2)CC1 ZINC000557892159 1074714023 /nfs/dbraw/zinc/71/40/23/1074714023.db2.gz QUQYENLWRJYUGA-OAHLLOKOSA-N 0 3 432.587 -0.220 20 0 IBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N[C@@H]1CCCN(S(=O)(=O)N(C)C)C1 ZINC000557922908 1074714782 /nfs/dbraw/zinc/71/47/82/1074714782.db2.gz CLXKZOFUQKLOOA-CVEARBPZSA-N 0 3 432.591 -0.501 20 0 IBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N[C@@H]1CCCN(S(=O)(=O)N(C)C)C1 ZINC000557922910 1074714710 /nfs/dbraw/zinc/71/47/10/1074714710.db2.gz CLXKZOFUQKLOOA-HZPDHXFCSA-N 0 3 432.591 -0.501 20 0 IBADHN CS(=O)(=O)N1CCN(C(=O)C(=O)NCc2ccccc2CN2CCC(O)CC2)CC1 ZINC000557943593 1074715093 /nfs/dbraw/zinc/71/50/93/1074715093.db2.gz LKJDBPALUTWZCQ-UHFFFAOYSA-N 0 3 438.550 -0.637 20 0 IBADHN Cc1cc(N2CC[C@@H](NC(=O)C(=O)NCCCN3CCC[C@H]3C(=O)N(C)C)C2=O)n(C)n1 ZINC000557952444 1074715490 /nfs/dbraw/zinc/71/54/90/1074715490.db2.gz RADNGAXMBPFDFP-CVEARBPZSA-N 0 3 447.540 -0.991 20 0 IBADHN Cc1cc(N2CC[C@H](NC(=O)C(=O)NCCCN3CCC[C@H]3C(=O)N(C)C)C2=O)n(C)n1 ZINC000557952451 1074715687 /nfs/dbraw/zinc/71/56/87/1074715687.db2.gz RADNGAXMBPFDFP-HOTGVXAUSA-N 0 3 447.540 -0.991 20 0 IBADHN Cc1cc(N2CC[C@@H](NC(=O)C(=O)NCCCN3CCC[C@@H]3C(=O)N(C)C)C2=O)n(C)n1 ZINC000557952452 1074715623 /nfs/dbraw/zinc/71/56/23/1074715623.db2.gz RADNGAXMBPFDFP-HZPDHXFCSA-N 0 3 447.540 -0.991 20 0 IBADHN Cc1cc(N2CC[C@H](NC(=O)C(=O)NCCCN3CCC[C@@H]3C(=O)N(C)C)C2=O)n(C)n1 ZINC000557952454 1074715747 /nfs/dbraw/zinc/71/57/47/1074715747.db2.gz RADNGAXMBPFDFP-JKSUJKDBSA-N 0 3 447.540 -0.991 20 0 IBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)N[C@@H]1CCN(c2ccccc2)C1=O ZINC000558067575 1074719424 /nfs/dbraw/zinc/71/94/24/1074719424.db2.gz TVKIDUXAMGLKDS-MSOLQXFVSA-N 0 3 429.521 -0.033 20 0 IBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)N[C@@H]1CCN(c2ccccc2)C1=O ZINC000558067577 1074719593 /nfs/dbraw/zinc/71/95/93/1074719593.db2.gz TVKIDUXAMGLKDS-QZTJIDSGSA-N 0 3 429.521 -0.033 20 0 IBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)N[C@H]1CCN(c2ccccc2)C1=O ZINC000558067579 1074719511 /nfs/dbraw/zinc/71/95/11/1074719511.db2.gz TVKIDUXAMGLKDS-ROUUACIJSA-N 0 3 429.521 -0.033 20 0 IBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)N[C@H]1CCN(c2ccccc2)C1=O ZINC000558067581 1074719688 /nfs/dbraw/zinc/71/96/88/1074719688.db2.gz TVKIDUXAMGLKDS-ZWKOTPCHSA-N 0 3 429.521 -0.033 20 0 IBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCc2cccc(N3CCOCC3)n2)CC1 ZINC000558120343 1074721182 /nfs/dbraw/zinc/72/11/82/1074721182.db2.gz HNKWEVOKVQLPHM-GOSISDBHSA-N 0 3 444.536 -0.701 20 0 IBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCc2cccc(N3CCOCC3)n2)CC1 ZINC000558120344 1074721322 /nfs/dbraw/zinc/72/13/22/1074721322.db2.gz HNKWEVOKVQLPHM-SFHVURJKSA-N 0 3 444.536 -0.701 20 0 IBADHN C[C@@H](CNC(=O)C(=O)N1CCN(CC(=O)N2CCOCC2)CC1)N(C)Cc1ccccc1 ZINC000558196155 1074723431 /nfs/dbraw/zinc/72/34/31/1074723431.db2.gz MFFKFYJMEDGHSK-IBGZPJMESA-N 0 3 445.564 -0.374 20 0 IBADHN C[C@H](CNC(=O)C(=O)N1CCN(CC(=O)N2CCOCC2)CC1)N(C)Cc1ccccc1 ZINC000558196156 1074723353 /nfs/dbraw/zinc/72/33/53/1074723353.db2.gz MFFKFYJMEDGHSK-LJQANCHMSA-N 0 3 445.564 -0.374 20 0 IBADHN O=C(NCCCCN1CCN(CCO)CC1)C(=O)N[C@H]1CCCC[C@@H]1N1CCOCC1 ZINC000558230512 1074725434 /nfs/dbraw/zinc/72/54/34/1074725434.db2.gz ZUBRGPIEJJWXJK-PMACEKPBSA-N 0 3 439.601 -0.748 20 0 IBADHN O=C(NCCCCN1CCN(CCO)CC1)C(=O)N[C@@H]1CCCC[C@@H]1N1CCOCC1 ZINC000558230513 1074725343 /nfs/dbraw/zinc/72/53/43/1074725343.db2.gz ZUBRGPIEJJWXJK-UXHICEINSA-N 0 3 439.601 -0.748 20 0 IBADHN O=C(NCCCCN1CCN(CCO)CC1)C(=O)N[C@H]1CCCC[C@H]1N1CCOCC1 ZINC000558230514 1074725400 /nfs/dbraw/zinc/72/54/00/1074725400.db2.gz ZUBRGPIEJJWXJK-VQTJNVASSA-N 0 3 439.601 -0.748 20 0 IBADHN O=C(NCCCCN1CCN(CCO)CC1)C(=O)N[C@@H]1CCCC[C@H]1N1CCOCC1 ZINC000558230515 1074725315 /nfs/dbraw/zinc/72/53/15/1074725315.db2.gz ZUBRGPIEJJWXJK-WOJBJXKFSA-N 0 3 439.601 -0.748 20 0 IBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N[C@@H]2CCN(CC(F)(F)F)C2=O)CC1 ZINC000558288353 1074726461 /nfs/dbraw/zinc/72/64/61/1074726461.db2.gz YDLFMONJRMAFOY-CHWSQXEVSA-N 0 3 433.431 -0.969 20 0 IBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N[C@@H]2CCN(CC(F)(F)F)C2=O)CC1 ZINC000558288354 1074726802 /nfs/dbraw/zinc/72/68/02/1074726802.db2.gz YDLFMONJRMAFOY-OLZOCXBDSA-N 0 3 433.431 -0.969 20 0 IBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N[C@H]2CCN(CC(F)(F)F)C2=O)CC1 ZINC000558288355 1074726779 /nfs/dbraw/zinc/72/67/79/1074726779.db2.gz YDLFMONJRMAFOY-QWHCGFSZSA-N 0 3 433.431 -0.969 20 0 IBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N[C@H]2CCN(CC(F)(F)F)C2=O)CC1 ZINC000558288356 1074726827 /nfs/dbraw/zinc/72/68/27/1074726827.db2.gz YDLFMONJRMAFOY-STQMWFEESA-N 0 3 433.431 -0.969 20 0 IBADHN O=C(NCCCCN1CCN(CCO)CC1)C(=O)N[C@@H]1CCN(c2ccccc2F)C1=O ZINC000558292737 1074726911 /nfs/dbraw/zinc/72/69/11/1074726911.db2.gz SUVQZSACFGVHQF-GOSISDBHSA-N 0 3 449.527 -0.447 20 0 IBADHN O=C(NCCCCN1CCN(CCO)CC1)C(=O)N[C@H]1CCN(c2ccccc2F)C1=O ZINC000558292739 1074726731 /nfs/dbraw/zinc/72/67/31/1074726731.db2.gz SUVQZSACFGVHQF-SFHVURJKSA-N 0 3 449.527 -0.447 20 0 IBADHN O=C(NCCCCN1CCN(CCO)CC1)C(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000558330094 1074728188 /nfs/dbraw/zinc/72/81/88/1074728188.db2.gz ABLKHUWPIOUPNA-UHFFFAOYSA-N 0 3 435.544 -0.019 20 0 IBADHN CN(C(=O)C(=O)NCCCCN1CCN(CCO)CC1)[C@H]1CCN(c2ccccc2)C1=O ZINC000558330650 1074728640 /nfs/dbraw/zinc/72/86/40/1074728640.db2.gz CPFQLEVNUONFNN-FQEVSTJZSA-N 0 3 445.564 -0.243 20 0 IBADHN CN(C(=O)C(=O)NCCCCN1CCN(CCO)CC1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000558330657 1074728532 /nfs/dbraw/zinc/72/85/32/1074728532.db2.gz CPFQLEVNUONFNN-HXUWFJFHSA-N 0 3 445.564 -0.243 20 0 IBADHN O=C(NCCCCN1CCN(CCO)CC1)C(=O)N1CCN(Cc2cccc(F)c2)CC1 ZINC000558331154 1074728163 /nfs/dbraw/zinc/72/81/63/1074728163.db2.gz GDGMATGVERKMTC-UHFFFAOYSA-N 0 3 449.571 -0.024 20 0 IBADHN COc1cccc(N2CCN(C(=O)C(=O)NCCCCN3CCN(CCO)CC3)CC2)c1 ZINC000558331588 1074728606 /nfs/dbraw/zinc/72/86/06/1074728606.db2.gz NIYGIHNHROEXOD-UHFFFAOYSA-N 0 3 447.580 -0.150 20 0 IBADHN CC[C@H]1CCCCN1CCNC(=O)C(=O)N1CCN(CC(=O)Nc2cc(C)on2)CC1 ZINC000558337069 1073348865 /nfs/dbraw/zinc/34/88/65/1073348865.db2.gz HMTRNMVRVALVFZ-KRWDZBQOSA-N 0 3 434.541 0.446 20 0 IBADHN CC[C@@H]1CCCCN1CCNC(=O)C(=O)N1CCN(CC(=O)Nc2cc(C)on2)CC1 ZINC000558337070 1074729134 /nfs/dbraw/zinc/72/91/34/1074729134.db2.gz HMTRNMVRVALVFZ-QGZVFWFLSA-N 0 3 434.541 0.446 20 0 IBADHN CC(C)N1CCN([C@@H]2CCN(C(=O)C(=O)NC[C@H]3CCCN3S(C)(=O)=O)C2)CC1 ZINC000558391002 1074730269 /nfs/dbraw/zinc/73/02/69/1074730269.db2.gz FTXZDURVILWMKH-IAGOWNOFSA-N 0 3 429.587 -0.847 20 0 IBADHN CC(C)N1CCN([C@H]2CCN(C(=O)C(=O)NC[C@H]3CCCN3S(C)(=O)=O)C2)CC1 ZINC000558391003 1074730298 /nfs/dbraw/zinc/73/02/98/1074730298.db2.gz FTXZDURVILWMKH-SJORKVTESA-N 0 3 429.587 -0.847 20 0 IBADHN Cc1nc(S(=O)(=O)N2CCN(C(=O)C(=O)N[C@@H](C)C3=CCN(C)CC3)CC2)cn1C ZINC000558412470 1074730761 /nfs/dbraw/zinc/73/07/61/1074730761.db2.gz ATEMWTDUSPYQQD-AWEZNQCLSA-N 0 3 438.554 -0.672 20 0 IBADHN Cc1nc(S(=O)(=O)N2CCN(C(=O)C(=O)N[C@H](C)C3=CCN(C)CC3)CC2)cn1C ZINC000558412471 1074730709 /nfs/dbraw/zinc/73/07/09/1074730709.db2.gz ATEMWTDUSPYQQD-CQSZACIVSA-N 0 3 438.554 -0.672 20 0 IBADHN COCCN1CN(C(=O)C(=O)Nc2cccc(CN3CCC(C(N)=O)CC3)c2)CC1=O ZINC000559020385 1072172934 /nfs/dbraw/zinc/17/29/34/1072172934.db2.gz KMNWDCRACNGQRF-UHFFFAOYSA-N 0 3 431.493 -0.403 20 0 IBADHN O=C(CN1CCCC1)N1CCN(C(=O)C(=O)NCC2(N3CCOCC3)CCCCC2)CC1 ZINC000559371899 1072182487 /nfs/dbraw/zinc/18/24/87/1072182487.db2.gz RMQMYIDMYKHSGE-UHFFFAOYSA-N 0 3 449.596 -0.096 20 0 IBADHN C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)C(=O)NCC(C)(C)N2CCCCC2)CC1 ZINC000559383213 1072183600 /nfs/dbraw/zinc/18/36/00/1072183600.db2.gz FKRYDOSDDGFWIA-GOSISDBHSA-N 0 3 437.585 -0.241 20 0 IBADHN C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)C(=O)NCC(C)(C)N2CCCCC2)CC1 ZINC000559383214 1072183793 /nfs/dbraw/zinc/18/37/93/1072183793.db2.gz FKRYDOSDDGFWIA-SFHVURJKSA-N 0 3 437.585 -0.241 20 0 IBADHN CN1CCN(C(=O)CCNC(=O)C(=O)NCCN2CCN(Cc3ccccc3)CC2)CC1 ZINC000559410070 1072185102 /nfs/dbraw/zinc/18/51/02/1072185102.db2.gz PIVGJLRKXUVXTL-UHFFFAOYSA-N 0 3 444.580 -0.799 20 0 IBADHN CN(C)[C@@H](CNC(=O)C(=O)N1CCN(c2nccn(C)c2=O)CC1)Cc1ccccc1 ZINC000559413018 1072185148 /nfs/dbraw/zinc/18/51/48/1072185148.db2.gz ZGTWUCASDUUGBF-GOSISDBHSA-N 0 3 426.521 -0.282 20 0 IBADHN CN(C)[C@H](CNC(=O)C(=O)N1CCN(c2nccn(C)c2=O)CC1)Cc1ccccc1 ZINC000559413023 1072185083 /nfs/dbraw/zinc/18/50/83/1072185083.db2.gz ZGTWUCASDUUGBF-SFHVURJKSA-N 0 3 426.521 -0.282 20 0 IBADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NCCCN1C(=O)NC2(CCCC2)C1=O ZINC000559419381 1072185759 /nfs/dbraw/zinc/18/57/59/1072185759.db2.gz BBPHBZKDIBZKDI-INIZCTEOSA-N 0 3 437.541 -0.074 20 0 IBADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NCCCN1C(=O)NC2(CCCC2)C1=O ZINC000559419383 1072185697 /nfs/dbraw/zinc/18/56/97/1072185697.db2.gz BBPHBZKDIBZKDI-MRXNPFEDSA-N 0 3 437.541 -0.074 20 0 IBADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N[C@@H](C)c2cccc(S(N)(=O)=O)c2)CC1 ZINC000559448921 1072188005 /nfs/dbraw/zinc/18/80/05/1072188005.db2.gz USSBNLJMRLVELQ-CVEARBPZSA-N 0 3 439.582 -0.099 20 0 IBADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N[C@@H](C)c2cccc(S(N)(=O)=O)c2)CC1 ZINC000559448923 1072188116 /nfs/dbraw/zinc/18/81/16/1072188116.db2.gz USSBNLJMRLVELQ-HOTGVXAUSA-N 0 3 439.582 -0.099 20 0 IBADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N[C@H](C)c2cccc(S(N)(=O)=O)c2)CC1 ZINC000559448926 1072188046 /nfs/dbraw/zinc/18/80/46/1072188046.db2.gz USSBNLJMRLVELQ-HZPDHXFCSA-N 0 3 439.582 -0.099 20 0 IBADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N[C@H](C)c2cccc(S(N)(=O)=O)c2)CC1 ZINC000559448928 1072187966 /nfs/dbraw/zinc/18/79/66/1072187966.db2.gz USSBNLJMRLVELQ-JKSUJKDBSA-N 0 3 439.582 -0.099 20 0 IBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NCc2ccc(N3CCOCC3)nc2)CC1 ZINC000559492760 1072190368 /nfs/dbraw/zinc/19/03/68/1072190368.db2.gz ISLIOBBNEBXFLV-UHFFFAOYSA-N 0 3 446.552 -0.453 20 0 IBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCc2ccc(N3CCOCC3)nc2)CC1 ZINC000559501035 1072191080 /nfs/dbraw/zinc/19/10/80/1072191080.db2.gz JAVDEVYWRHZHCL-GOSISDBHSA-N 0 3 444.536 -0.701 20 0 IBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCc2ccc(N3CCOCC3)nc2)CC1 ZINC000559501036 1072190977 /nfs/dbraw/zinc/19/09/77/1072190977.db2.gz JAVDEVYWRHZHCL-SFHVURJKSA-N 0 3 444.536 -0.701 20 0 IBADHN CCN1CCC[C@H]1CNC(=O)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000559504042 1072191669 /nfs/dbraw/zinc/19/16/69/1072191669.db2.gz JJCPTZMHPYILRK-AWEZNQCLSA-N 0 3 444.579 -0.014 20 0 IBADHN CCN1CCC[C@@H]1CNC(=O)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000559504043 1072191688 /nfs/dbraw/zinc/19/16/88/1072191688.db2.gz JJCPTZMHPYILRK-CQSZACIVSA-N 0 3 444.579 -0.014 20 0 IBADHN CN(CCN1CCCC1)C(=O)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1 ZINC000559504372 1072191800 /nfs/dbraw/zinc/19/18/00/1072191800.db2.gz QEYRXBPRGPQVQF-UHFFFAOYSA-N 0 3 444.579 -0.061 20 0 IBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NCCc2nnc3n2CCCCC3)CC1 ZINC000559506560 1072192365 /nfs/dbraw/zinc/19/23/65/1072192365.db2.gz HAXBRPVLGOGSJX-UHFFFAOYSA-N 0 3 433.557 -0.324 20 0 IBADHN CC(C)[C@H](CNC(=O)C(=O)NCc1ccc(N2CCN(C)CC2)nc1)N1CCN(C)CC1 ZINC000559562625 1072196593 /nfs/dbraw/zinc/19/65/93/1072196593.db2.gz ZPEGHRJKQVNYTA-FQEVSTJZSA-N 0 3 445.612 -0.162 20 0 IBADHN CC(C)[C@@H](CNC(=O)C(=O)NCc1ccc(N2CCN(C)CC2)nc1)N1CCN(C)CC1 ZINC000559562629 1072196671 /nfs/dbraw/zinc/19/66/71/1072196671.db2.gz ZPEGHRJKQVNYTA-HXUWFJFHSA-N 0 3 445.612 -0.162 20 0 IBADHN CN1CCN(CCNC(=O)C(=O)NCc2ccc(C(=O)N3CCOCC3)cc2)CC1(C)C ZINC000559566470 1072196525 /nfs/dbraw/zinc/19/65/25/1072196525.db2.gz JTIGQXMKBUEJMC-UHFFFAOYSA-N 0 3 445.564 -0.083 20 0 IBADHN Cc1ccc(S(=O)(=O)N2CCC(Nc3nc(NCCO)nc(NC(C)C)n3)CC2)cc1 ZINC000559587689 1072197825 /nfs/dbraw/zinc/19/78/25/1072197825.db2.gz FTIIOFPGDDJEFE-UHFFFAOYSA-N 0 3 449.581 -0.065 20 0 IBADHN C[C@@H](NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1)c1nnc2n1CCCCC2 ZINC000559588213 1072197851 /nfs/dbraw/zinc/19/78/51/1072197851.db2.gz BOCWTLXJVXNYMH-CVEARBPZSA-N 0 3 431.541 -0.053 20 0 IBADHN C[C@@H](NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1)c1nnc2n1CCCCC2 ZINC000559588214 1072197927 /nfs/dbraw/zinc/19/79/27/1072197927.db2.gz BOCWTLXJVXNYMH-HZPDHXFCSA-N 0 3 431.541 -0.053 20 0 IBADHN CC(C)Nc1nc(NCCO)nc(NCc2ccc(S(=O)(=O)N3CCCC3)cc2)n1 ZINC000559593701 1071075516 /nfs/dbraw/zinc/07/55/16/1071075516.db2.gz SDOVJFDQIWUQFA-UHFFFAOYSA-N 0 3 435.554 -0.242 20 0 IBADHN C[C@H](CNC(=O)C(=O)NCCCN1CCN(c2ncccn2)CC1)CN1CCOCC1 ZINC000559605533 1072200187 /nfs/dbraw/zinc/20/01/87/1072200187.db2.gz GCSIASUPYQHGAS-GOSISDBHSA-N 0 3 433.557 -0.811 20 0 IBADHN C[C@@H](CNC(=O)C(=O)NCCCN1CCN(c2ncccn2)CC1)CN1CCOCC1 ZINC000559605534 1072200117 /nfs/dbraw/zinc/20/01/17/1072200117.db2.gz GCSIASUPYQHGAS-SFHVURJKSA-N 0 3 433.557 -0.811 20 0 IBADHN COCCN1CCC(NC(=O)C(=O)NCCCN2C(=O)NC3(CCCCC3)C2=O)CC1 ZINC000559607566 1072200936 /nfs/dbraw/zinc/20/09/36/1072200936.db2.gz NYFIVCNUAYBJKZ-UHFFFAOYSA-N 0 3 437.541 -0.026 20 0 IBADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)NCCNS(=O)(=O)c2ccccc2)CC1 ZINC000559608601 1072201233 /nfs/dbraw/zinc/20/12/33/1072201233.db2.gz ZEZCBRSUHVVADR-KRWDZBQOSA-N 0 3 439.582 -0.529 20 0 IBADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)NCCNS(=O)(=O)c2ccccc2)CC1 ZINC000559608603 1072201362 /nfs/dbraw/zinc/20/13/62/1072201362.db2.gz ZEZCBRSUHVVADR-QGZVFWFLSA-N 0 3 439.582 -0.529 20 0 IBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NC2CCN(C(=O)c3ccoc3)CC2)CC1 ZINC000559609337 1072202115 /nfs/dbraw/zinc/20/21/15/1072202115.db2.gz JJQKHBAFRRBYCQ-GOSISDBHSA-N 0 3 445.520 -0.235 20 0 IBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NC2CCN(C(=O)c3ccoc3)CC2)CC1 ZINC000559609338 1072202057 /nfs/dbraw/zinc/20/20/57/1072202057.db2.gz JJQKHBAFRRBYCQ-SFHVURJKSA-N 0 3 445.520 -0.235 20 0 IBADHN O=C(CN1CCCC1)N1CCN(C(=O)C(=O)NC2CCN(C(=O)c3ccoc3)CC2)CC1 ZINC000559610712 1072202673 /nfs/dbraw/zinc/20/26/73/1072202673.db2.gz OWOUFSVTUBONNH-UHFFFAOYSA-N 0 3 445.520 -0.233 20 0 IBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)NCc1ccc(S(C)(=O)=O)cc1 ZINC000559622696 1072203040 /nfs/dbraw/zinc/20/30/40/1072203040.db2.gz AOUKUASTYKQNGY-KRWDZBQOSA-N 0 3 438.550 -0.235 20 0 IBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)NCc1ccc(S(C)(=O)=O)cc1 ZINC000559622697 1072203117 /nfs/dbraw/zinc/20/31/17/1072203117.db2.gz AOUKUASTYKQNGY-QGZVFWFLSA-N 0 3 438.550 -0.235 20 0 IBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NCc2ccc(S(C)(=O)=O)cc2)CC1 ZINC000559627563 1072203270 /nfs/dbraw/zinc/20/32/70/1072203270.db2.gz ZJGIBICJPINZQL-UHFFFAOYSA-N 0 3 438.550 -0.281 20 0 IBADHN Cc1cc(NC(=O)CCN2CCN(CCC(=O)Nc3cc(C)on3)[C@@H](CCO)C2)no1 ZINC000559638466 1072203734 /nfs/dbraw/zinc/20/37/34/1072203734.db2.gz DIMJXXCOPNVEFG-INIZCTEOSA-N 0 3 434.497 -0.151 20 0 IBADHN Cc1cc(NC(=O)CCN2CCN(CCC(=O)Nc3cc(C)on3)[C@H](CCO)C2)no1 ZINC000559638467 1072203645 /nfs/dbraw/zinc/20/36/45/1072203645.db2.gz DIMJXXCOPNVEFG-MRXNPFEDSA-N 0 3 434.497 -0.151 20 0 IBADHN C[C@@H](CN1CCCCC1)NC(=O)C(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 ZINC000559656842 1072204252 /nfs/dbraw/zinc/20/42/52/1072204252.db2.gz OHZDUDVBYOUYRL-INIZCTEOSA-N 0 3 429.521 -0.135 20 0 IBADHN C[C@H](CN1CCCCC1)NC(=O)C(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 ZINC000559656844 1072204182 /nfs/dbraw/zinc/20/41/82/1072204182.db2.gz OHZDUDVBYOUYRL-MRXNPFEDSA-N 0 3 429.521 -0.135 20 0 IBADHN CCCS(=O)(=O)N1CCC(NC(=O)C(=O)N(CCN(C)C)C[C@@H]2CCCO2)CC1 ZINC000559659416 1072204189 /nfs/dbraw/zinc/20/41/89/1072204189.db2.gz YSIIGPAZWKJBCH-KRWDZBQOSA-N 0 3 432.587 -0.124 20 0 IBADHN CCCS(=O)(=O)N1CCC(NC(=O)C(=O)N(CCN(C)C)C[C@H]2CCCO2)CC1 ZINC000559659418 1072204139 /nfs/dbraw/zinc/20/41/39/1072204139.db2.gz YSIIGPAZWKJBCH-QGZVFWFLSA-N 0 3 432.587 -0.124 20 0 IBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NCc2ccnc(N3CCOCC3)c2)CC1 ZINC000559673944 1072207126 /nfs/dbraw/zinc/20/71/26/1072207126.db2.gz VGXHCHIETAVRKU-UHFFFAOYSA-N 0 3 446.552 -0.453 20 0 IBADHN CCN1CCN(Cc2ccccc2CNC(=O)C(=O)N2CCO[C@H](C(=O)NC)C2)CC1 ZINC000559732643 1072209979 /nfs/dbraw/zinc/20/99/79/1072209979.db2.gz JAUQDQBRUKCYDD-IBGZPJMESA-N 0 3 431.537 -0.586 20 0 IBADHN CCN1CCN(Cc2ccccc2CNC(=O)C(=O)N2CCO[C@@H](C(=O)NC)C2)CC1 ZINC000559732645 1072210002 /nfs/dbraw/zinc/21/00/02/1072210002.db2.gz JAUQDQBRUKCYDD-LJQANCHMSA-N 0 3 431.537 -0.586 20 0 IBADHN CCN1CCN(Cc2ccc(CNC(=O)C(=O)N3CCN(C(=O)COC)CC3)cc2)CC1 ZINC000559733050 1072210554 /nfs/dbraw/zinc/21/05/54/1072210554.db2.gz QXHZOIBFAIVBGT-UHFFFAOYSA-N 0 3 445.564 -0.243 20 0 IBADHN CCN1CCN(c2ccc(CNC(=O)C(=O)NC[C@@H](C)CN3CCOCC3)cn2)CC1 ZINC000559734482 1072210537 /nfs/dbraw/zinc/21/05/37/1072210537.db2.gz RBSSHEVUFZEMRR-GOSISDBHSA-N 0 3 432.569 -0.076 20 0 IBADHN CCN1CCN(c2ccc(CNC(=O)C(=O)NC[C@H](C)CN3CCOCC3)cn2)CC1 ZINC000559734486 1072210468 /nfs/dbraw/zinc/21/04/68/1072210468.db2.gz RBSSHEVUFZEMRR-SFHVURJKSA-N 0 3 432.569 -0.076 20 0 IBADHN CCN1CCN(Cc2ccccc2CNC(=O)C(=O)N2CCO[C@@H](CNC(C)=O)C2)CC1 ZINC000559734518 1072210599 /nfs/dbraw/zinc/21/05/99/1072210599.db2.gz RPGBFBBAGBELEM-NRFANRHFSA-N 0 3 445.564 -0.196 20 0 IBADHN CCN1CCN(Cc2ccccc2CNC(=O)C(=O)N2CCO[C@H](CNC(C)=O)C2)CC1 ZINC000559734519 1072210448 /nfs/dbraw/zinc/21/04/48/1072210448.db2.gz RPGBFBBAGBELEM-OAQYLSRUSA-N 0 3 445.564 -0.196 20 0 IBADHN C[C@H]1CCCN(CCNC(=O)C(=O)N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)C1 ZINC000559743348 1072210672 /nfs/dbraw/zinc/21/06/72/1072210672.db2.gz NCCCCHAKXGFTHI-DLBZAZTESA-N 0 3 430.571 -0.513 20 0 IBADHN C[C@@H]1CCCN(CCNC(=O)C(=O)N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)C1 ZINC000559743350 1072210409 /nfs/dbraw/zinc/21/04/09/1072210409.db2.gz NCCCCHAKXGFTHI-IAGOWNOFSA-N 0 3 430.571 -0.513 20 0 IBADHN C[C@H]1CCCN(CCNC(=O)C(=O)N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)C1 ZINC000559743351 1072210510 /nfs/dbraw/zinc/21/05/10/1072210510.db2.gz NCCCCHAKXGFTHI-IRXDYDNUSA-N 0 3 430.571 -0.513 20 0 IBADHN C[C@@H]1CCCN(CCNC(=O)C(=O)N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)C1 ZINC000559743352 1072211101 /nfs/dbraw/zinc/21/11/01/1072211101.db2.gz NCCCCHAKXGFTHI-SJORKVTESA-N 0 3 430.571 -0.513 20 0 IBADHN COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)C(=O)NCCN2CCC(C)CC2)C1 ZINC000559745317 1072211011 /nfs/dbraw/zinc/21/10/11/1072211011.db2.gz YBBOICDGLLWEFW-KRWDZBQOSA-N 0 3 432.587 -0.267 20 0 IBADHN COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)NCCN2CCC(C)CC2)C1 ZINC000559745320 1072211025 /nfs/dbraw/zinc/21/10/25/1072211025.db2.gz YBBOICDGLLWEFW-QGZVFWFLSA-N 0 3 432.587 -0.267 20 0 IBADHN CCN1CCN(c2ccc(CNC(=O)C(=O)NCCC(=O)N3CCN(C)CC3)cn2)CC1 ZINC000559751084 1072211232 /nfs/dbraw/zinc/21/12/32/1072211232.db2.gz LDPLJHOLYRODLT-UHFFFAOYSA-N 0 3 445.568 -0.880 20 0 IBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCCN2CCc3ccccc3C2)CC1 ZINC000559762728 1072212494 /nfs/dbraw/zinc/21/24/94/1072212494.db2.gz NZRFRYTZVJSGLP-FQEVSTJZSA-N 0 3 427.549 -0.074 20 0 IBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCCN2CCc3ccccc3C2)CC1 ZINC000559762731 1072212538 /nfs/dbraw/zinc/21/25/38/1072212538.db2.gz NZRFRYTZVJSGLP-HXUWFJFHSA-N 0 3 427.549 -0.074 20 0 IBADHN CN1CCN(C(=O)CCNC(=O)C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)CC1 ZINC000559772291 1072214300 /nfs/dbraw/zinc/21/43/00/1072214300.db2.gz HIBFBCQXFJVRSU-FQEVSTJZSA-N 0 3 445.564 -0.326 20 0 IBADHN CN1CCN(C(=O)CCNC(=O)C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)CC1 ZINC000559772292 1072214476 /nfs/dbraw/zinc/21/44/76/1072214476.db2.gz HIBFBCQXFJVRSU-HXUWFJFHSA-N 0 3 445.564 -0.326 20 0 IBADHN C[C@@H](CN1CCCCC1)NC(=O)C(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 ZINC000559780171 1072214916 /nfs/dbraw/zinc/21/49/16/1072214916.db2.gz CRCCTAJWSSZMHA-KRWDZBQOSA-N 0 3 431.541 -0.378 20 0 IBADHN C[C@H](CN1CCCCC1)NC(=O)C(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 ZINC000559780173 1072214955 /nfs/dbraw/zinc/21/49/55/1072214955.db2.gz CRCCTAJWSSZMHA-QGZVFWFLSA-N 0 3 431.541 -0.378 20 0 IBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NCC(=O)N(C)Cc2ccccc2)CC1 ZINC000559780728 1072214828 /nfs/dbraw/zinc/21/48/28/1072214828.db2.gz QCUKUKCUHHRIJQ-UHFFFAOYSA-N 0 3 431.537 -0.226 20 0 IBADHN CN1CCN(CCCNC(=O)C(=O)N2CC[C@@H](S(N)(=O)=O)C2)[C@H](c2ccccc2)C1 ZINC000559782922 1072215066 /nfs/dbraw/zinc/21/50/66/1072215066.db2.gz CQDFIDWTDBZCFM-MSOLQXFVSA-N 0 3 437.566 -0.629 20 0 IBADHN CN1CCN(CCCNC(=O)C(=O)N2CC[C@@H](S(N)(=O)=O)C2)[C@@H](c2ccccc2)C1 ZINC000559782923 1072214867 /nfs/dbraw/zinc/21/48/67/1072214867.db2.gz CQDFIDWTDBZCFM-QZTJIDSGSA-N 0 3 437.566 -0.629 20 0 IBADHN CN1CCN(CCCNC(=O)C(=O)N2CC[C@H](S(N)(=O)=O)C2)[C@H](c2ccccc2)C1 ZINC000559782924 1072214899 /nfs/dbraw/zinc/21/48/99/1072214899.db2.gz CQDFIDWTDBZCFM-ROUUACIJSA-N 0 3 437.566 -0.629 20 0 IBADHN CN1CCN(CCCNC(=O)C(=O)N2CC[C@H](S(N)(=O)=O)C2)[C@@H](c2ccccc2)C1 ZINC000559782925 1072214943 /nfs/dbraw/zinc/21/49/43/1072214943.db2.gz CQDFIDWTDBZCFM-ZWKOTPCHSA-N 0 3 437.566 -0.629 20 0 IBADHN CC(=O)NC[C@H]1CN(C(=O)C(=O)NCCCN2CCN(C)C[C@@H]2c2ccccc2)CCO1 ZINC000559789288 1072215605 /nfs/dbraw/zinc/21/56/05/1072215605.db2.gz YJWQJZNRRCZGNQ-LEWJYISDSA-N 0 3 445.564 -0.155 20 0 IBADHN CC(=O)NC[C@@H]1CN(C(=O)C(=O)NCCCN2CCN(C)C[C@@H]2c2ccccc2)CCO1 ZINC000559789291 1072215594 /nfs/dbraw/zinc/21/55/94/1072215594.db2.gz YJWQJZNRRCZGNQ-NHCUHLMSSA-N 0 3 445.564 -0.155 20 0 IBADHN CC(=O)NC[C@@H]1CN(C(=O)C(=O)NCCCN2CCN(C)C[C@H]2c2ccccc2)CCO1 ZINC000559789295 1072215577 /nfs/dbraw/zinc/21/55/77/1072215577.db2.gz YJWQJZNRRCZGNQ-RTWAWAEBSA-N 0 3 445.564 -0.155 20 0 IBADHN CC(=O)NC[C@H]1CN(C(=O)C(=O)NCCCN2CCN(C)C[C@H]2c2ccccc2)CCO1 ZINC000559789297 1072215707 /nfs/dbraw/zinc/21/57/07/1072215707.db2.gz YJWQJZNRRCZGNQ-SFTDATJTSA-N 0 3 445.564 -0.155 20 0 IBADHN COCCOc1ccc(CNC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)cn1 ZINC000559818337 1072217281 /nfs/dbraw/zinc/21/72/81/1072217281.db2.gz MUZJCZPFDXRVEG-UHFFFAOYSA-N 0 3 433.509 -0.510 20 0 IBADHN CCn1nccc1N1CCC[C@H](NC(=O)C(=O)NCCCCN2CCN(C)CC2)C1=O ZINC000559833612 1072217891 /nfs/dbraw/zinc/21/78/91/1072217891.db2.gz CGAURKXQGJDNHK-KRWDZBQOSA-N 0 3 433.557 -0.342 20 0 IBADHN CCn1nccc1N1CCC[C@@H](NC(=O)C(=O)NCCCCN2CCN(C)CC2)C1=O ZINC000559833613 1072217676 /nfs/dbraw/zinc/21/76/76/1072217676.db2.gz CGAURKXQGJDNHK-QGZVFWFLSA-N 0 3 433.557 -0.342 20 0 IBADHN COCCNC(=O)[C@H]1CC[C@@H](C)N(C(=O)C(=O)NCCCCN2CCN(C)CC2)C1 ZINC000559838215 1072218330 /nfs/dbraw/zinc/21/83/30/1072218330.db2.gz SQSJFBZGTAUCFP-MSOLQXFVSA-N 0 3 425.574 -0.480 20 0 IBADHN COCCNC(=O)[C@@H]1CC[C@@H](C)N(C(=O)C(=O)NCCCCN2CCN(C)CC2)C1 ZINC000559838224 1072218265 /nfs/dbraw/zinc/21/82/65/1072218265.db2.gz SQSJFBZGTAUCFP-QZTJIDSGSA-N 0 3 425.574 -0.480 20 0 IBADHN COCCNC(=O)[C@H]1CC[C@H](C)N(C(=O)C(=O)NCCCCN2CCN(C)CC2)C1 ZINC000559838229 1072218566 /nfs/dbraw/zinc/21/85/66/1072218566.db2.gz SQSJFBZGTAUCFP-ROUUACIJSA-N 0 3 425.574 -0.480 20 0 IBADHN COCCNC(=O)[C@@H]1CC[C@H](C)N(C(=O)C(=O)NCCCCN2CCN(C)CC2)C1 ZINC000559838234 1072218464 /nfs/dbraw/zinc/21/84/64/1072218464.db2.gz SQSJFBZGTAUCFP-ZWKOTPCHSA-N 0 3 425.574 -0.480 20 0 IBADHN CCCNC(=O)CN1CCC(NC(=O)C(=O)N2CCC(CN3CCOCC3)CC2)CC1 ZINC000559848550 1072219520 /nfs/dbraw/zinc/21/95/20/1072219520.db2.gz JBSDBXZSFYJPKY-UHFFFAOYSA-N 0 3 437.585 -0.336 20 0 IBADHN CCCNC(=O)CN1CCC(NC(=O)C(=O)NCCCN2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000559848676 1072219548 /nfs/dbraw/zinc/21/95/48/1072219548.db2.gz CVKBMPDODRKMAG-CALCHBBNSA-N 0 3 425.574 -0.291 20 0 IBADHN CCCNC(=O)CN1CCC(NC(=O)C(=O)NCCCN2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000559848677 1072219483 /nfs/dbraw/zinc/21/94/83/1072219483.db2.gz CVKBMPDODRKMAG-IAGOWNOFSA-N 0 3 425.574 -0.291 20 0 IBADHN CCCNC(=O)CN1CCC(NC(=O)C(=O)NCCCN2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000559848678 1072219463 /nfs/dbraw/zinc/21/94/63/1072219463.db2.gz CVKBMPDODRKMAG-IRXDYDNUSA-N 0 3 425.574 -0.291 20 0 IBADHN CCCNC(=O)CN1CCC(NC(=O)C(=O)N2CCN(c3cc(OC)ccn3)CC2)CC1 ZINC000559850341 1072221020 /nfs/dbraw/zinc/22/10/20/1072221020.db2.gz VDBGCZPSYFFJMU-UHFFFAOYSA-N 0 3 446.552 -0.154 20 0 IBADHN CCCNC(=O)CN1CCC(NC(=O)C(=O)N2CCN(C3CCOCC3)C[C@@H]2C)CC1 ZINC000559851604 1072220695 /nfs/dbraw/zinc/22/06/95/1072220695.db2.gz MQIOIKVRFMZTTD-KRWDZBQOSA-N 0 3 437.585 -0.195 20 0 IBADHN C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)C(=O)NC[C@@]2(N(C)C)CCSC2)CC1 ZINC000559862776 1072222793 /nfs/dbraw/zinc/22/27/93/1072222793.db2.gz NEESFYFOHZOFCN-JXFKEZNVSA-N 0 3 425.599 -0.305 20 0 IBADHN C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)C(=O)NC[C@]2(N(C)C)CCSC2)CC1 ZINC000559862777 1072223353 /nfs/dbraw/zinc/22/33/53/1072223353.db2.gz NEESFYFOHZOFCN-OXJNMPFZSA-N 0 3 425.599 -0.305 20 0 IBADHN C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)C(=O)NC[C@]2(N(C)C)CCSC2)CC1 ZINC000559862778 1072223398 /nfs/dbraw/zinc/22/33/98/1072223398.db2.gz NEESFYFOHZOFCN-OXQOHEQNSA-N 0 3 425.599 -0.305 20 0 IBADHN C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)C(=O)NC[C@@]2(N(C)C)CCSC2)CC1 ZINC000559862779 1072223345 /nfs/dbraw/zinc/22/33/45/1072223345.db2.gz NEESFYFOHZOFCN-UZLBHIALSA-N 0 3 425.599 -0.305 20 0 IBADHN CN(C)[C@@]1(CNC(=O)C(=O)N2CCOC[C@@H]2c2noc(-c3cnn(C)c3)n2)CCSC1 ZINC000559863386 1072223267 /nfs/dbraw/zinc/22/32/67/1072223267.db2.gz AVFRHVNXNSSCCF-AUUYWEPGSA-N 0 3 449.537 -0.077 20 0 IBADHN CN(C)[C@@]1(CNC(=O)C(=O)N2CCOC[C@H]2c2noc(-c3cnn(C)c3)n2)CCSC1 ZINC000559863387 1072223336 /nfs/dbraw/zinc/22/33/36/1072223336.db2.gz AVFRHVNXNSSCCF-IFXJQAMLSA-N 0 3 449.537 -0.077 20 0 IBADHN CN(C)[C@]1(CNC(=O)C(=O)N2CCOC[C@@H]2c2noc(-c3cnn(C)c3)n2)CCSC1 ZINC000559863388 1072223242 /nfs/dbraw/zinc/22/32/42/1072223242.db2.gz AVFRHVNXNSSCCF-KUHUBIRLSA-N 0 3 449.537 -0.077 20 0 IBADHN CN(C)[C@]1(CNC(=O)C(=O)N2CCOC[C@H]2c2noc(-c3cnn(C)c3)n2)CCSC1 ZINC000559863389 1072223312 /nfs/dbraw/zinc/22/33/12/1072223312.db2.gz AVFRHVNXNSSCCF-LIRRHRJNSA-N 0 3 449.537 -0.077 20 0 IBADHN CN(C)[C@@]1(CNC(=O)C(=O)N2CCN(S(=O)(=O)c3cccnc3)CC2)CCSC1 ZINC000559863850 1072223426 /nfs/dbraw/zinc/22/34/26/1072223426.db2.gz KAYZEIVCTXRRML-GOSISDBHSA-N 0 3 441.579 -0.532 20 0 IBADHN CN(C)[C@]1(CNC(=O)C(=O)N2CCN(S(=O)(=O)c3cccnc3)CC2)CCSC1 ZINC000559863852 1072223365 /nfs/dbraw/zinc/22/33/65/1072223365.db2.gz KAYZEIVCTXRRML-SFHVURJKSA-N 0 3 441.579 -0.532 20 0 IBADHN CN(C)[C@]1(CNC(=O)C(=O)N2CCN(S(=O)(=O)Cc3ccon3)CC2)CCSC1 ZINC000559863952 1072223327 /nfs/dbraw/zinc/22/33/27/1072223327.db2.gz XLSRCGCIDCQTTO-KRWDZBQOSA-N 0 3 445.567 -0.798 20 0 IBADHN CN(C)[C@@]1(CNC(=O)C(=O)N2CCN(S(=O)(=O)Cc3ccon3)CC2)CCSC1 ZINC000559863953 1072223406 /nfs/dbraw/zinc/22/34/06/1072223406.db2.gz XLSRCGCIDCQTTO-QGZVFWFLSA-N 0 3 445.567 -0.798 20 0 IBADHN CN(C)[C@]1(CNC(=O)C(=O)NCCC(=O)N2CCN(c3ccccn3)CC2)CCSC1 ZINC000559864446 1072223390 /nfs/dbraw/zinc/22/33/90/1072223390.db2.gz BIAGYOICVJATFI-NRFANRHFSA-N 0 3 448.593 -0.210 20 0 IBADHN CN(C)[C@@]1(CNC(=O)C(=O)NCCC(=O)N2CCN(c3ccccn3)CC2)CCSC1 ZINC000559864449 1072223417 /nfs/dbraw/zinc/22/34/17/1072223417.db2.gz BIAGYOICVJATFI-OAQYLSRUSA-N 0 3 448.593 -0.210 20 0 IBADHN CN(C)[C@]1(CNC(=O)C(=O)N2CCC(C(=O)N3CCN(C)CC3)CC2)CCSC1 ZINC000559864644 1072223295 /nfs/dbraw/zinc/22/32/95/1072223295.db2.gz PJSPHKVETSAMOH-FQEVSTJZSA-N 0 3 425.599 -0.448 20 0 IBADHN CN(C)[C@@]1(CNC(=O)C(=O)N2CCC(C(=O)N3CCN(C)CC3)CC2)CCSC1 ZINC000559864645 1072223279 /nfs/dbraw/zinc/22/32/79/1072223279.db2.gz PJSPHKVETSAMOH-HXUWFJFHSA-N 0 3 425.599 -0.448 20 0 IBADHN CN(C)[C@@]1(CNC(=O)C(=O)NCCCN2C(=O)NC3(CCCC3)C2=O)CCSC1 ZINC000559864709 1072223434 /nfs/dbraw/zinc/22/34/34/1072223434.db2.gz IKIZZUIKPZJLJQ-GOSISDBHSA-N 0 3 425.555 -0.089 20 0 IBADHN CN(C)[C@]1(CNC(=O)C(=O)NCCCN2C(=O)NC3(CCCC3)C2=O)CCSC1 ZINC000559864713 1072223304 /nfs/dbraw/zinc/22/33/04/1072223304.db2.gz IKIZZUIKPZJLJQ-SFHVURJKSA-N 0 3 425.555 -0.089 20 0 IBADHN CCOC1CC(CNC(=O)C(=O)NC[C@@]2(N(C)C)CCSC2)(N2CCOCC2)C1 ZINC000559867789 1072223867 /nfs/dbraw/zinc/22/38/67/1072223867.db2.gz KRBBBCMLLQKKRJ-AJPWXKBRSA-N 0 3 428.599 -0.074 20 0 IBADHN CCOC1CC(CNC(=O)C(=O)NC[C@]2(N(C)C)CCSC2)(N2CCOCC2)C1 ZINC000559867790 1072223857 /nfs/dbraw/zinc/22/38/57/1072223857.db2.gz KRBBBCMLLQKKRJ-NQKNOSNGSA-N 0 3 428.599 -0.074 20 0 IBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NCCS(=O)(=O)c2ccccc2)CC1 ZINC000559913606 1072225192 /nfs/dbraw/zinc/22/51/92/1072225192.db2.gz AJXOOGWHYFWGRN-UHFFFAOYSA-N 0 3 438.550 -0.411 20 0 IBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCCS(=O)(=O)c2ccccc2)CC1 ZINC000559914135 1071086082 /nfs/dbraw/zinc/08/60/82/1071086082.db2.gz PNQKEGZIWQUCBH-KRWDZBQOSA-N 0 3 436.534 -0.659 20 0 IBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCCS(=O)(=O)c2ccccc2)CC1 ZINC000559914136 1071085933 /nfs/dbraw/zinc/08/59/33/1071085933.db2.gz PNQKEGZIWQUCBH-QGZVFWFLSA-N 0 3 436.534 -0.659 20 0 IBADHN CCS(=O)(=O)N(C)CCCNC(=O)C(=O)N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC000559925803 1072225725 /nfs/dbraw/zinc/22/57/25/1072225725.db2.gz VBDDSDRXDLKVIK-KRWDZBQOSA-N 0 3 431.603 -0.599 20 0 IBADHN CCS(=O)(=O)N(C)CCCNC(=O)C(=O)N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC000559925804 1072225855 /nfs/dbraw/zinc/22/58/55/1072225855.db2.gz VBDDSDRXDLKVIK-QGZVFWFLSA-N 0 3 431.603 -0.599 20 0 IBADHN CCOC(=O)[C@]1(COC)CCCN(C(=O)C(=O)NC[C@@H](C)CN2CCN(C)CC2)C1 ZINC000560008648 1072228604 /nfs/dbraw/zinc/22/86/04/1072228604.db2.gz VWQMYHTUKANEKH-DYESRHJHSA-N 0 3 426.558 -0.196 20 0 IBADHN CCOC(=O)[C@]1(COC)CCCN(C(=O)C(=O)NC[C@H](C)CN2CCN(C)CC2)C1 ZINC000560008649 1072228480 /nfs/dbraw/zinc/22/84/80/1072228480.db2.gz VWQMYHTUKANEKH-LAUBAEHRSA-N 0 3 426.558 -0.196 20 0 IBADHN CCOC(=O)[C@@]1(COC)CCCN(C(=O)C(=O)NC[C@@H](C)CN2CCN(C)CC2)C1 ZINC000560008650 1072228533 /nfs/dbraw/zinc/22/85/33/1072228533.db2.gz VWQMYHTUKANEKH-UTKZUKDTSA-N 0 3 426.558 -0.196 20 0 IBADHN CCOC(=O)[C@@]1(COC)CCCN(C(=O)C(=O)NC[C@H](C)CN2CCN(C)CC2)C1 ZINC000560008651 1072228402 /nfs/dbraw/zinc/22/84/02/1072228402.db2.gz VWQMYHTUKANEKH-UWJYYQICSA-N 0 3 426.558 -0.196 20 0 IBADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N[C@@H]2CCCN(c3ccn(C)n3)C2=O)CC1 ZINC000560013099 1071089689 /nfs/dbraw/zinc/08/96/89/1071089689.db2.gz ITBVGWZVJVTRIT-DLBZAZTESA-N 0 3 433.557 -0.579 20 0 IBADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N[C@@H]2CCCN(c3ccn(C)n3)C2=O)CC1 ZINC000560013107 1072229024 /nfs/dbraw/zinc/22/90/24/1072229024.db2.gz ITBVGWZVJVTRIT-IAGOWNOFSA-N 0 3 433.557 -0.579 20 0 IBADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N[C@H]2CCCN(c3ccn(C)n3)C2=O)CC1 ZINC000560013109 1072228955 /nfs/dbraw/zinc/22/89/55/1072228955.db2.gz ITBVGWZVJVTRIT-IRXDYDNUSA-N 0 3 433.557 -0.579 20 0 IBADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N[C@H]2CCCN(c3ccn(C)n3)C2=O)CC1 ZINC000560013111 1071089637 /nfs/dbraw/zinc/08/96/37/1071089637.db2.gz ITBVGWZVJVTRIT-SJORKVTESA-N 0 3 433.557 -0.579 20 0 IBADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N2CCN(CC(=O)N3CCCC3)CC2)CC1 ZINC000560014160 1072229326 /nfs/dbraw/zinc/22/93/26/1072229326.db2.gz SJFNWLXIUQFROU-IBGZPJMESA-N 0 3 436.601 -0.857 20 0 IBADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N2CCN(CC(=O)N3CCCC3)CC2)CC1 ZINC000560014161 1072229176 /nfs/dbraw/zinc/22/91/76/1072229176.db2.gz SJFNWLXIUQFROU-LJQANCHMSA-N 0 3 436.601 -0.857 20 0 IBADHN C[C@@H](CNC(=O)C(=O)NC[C@]1(N2CCOCC2)CCSC1)CN1CCN(C)CC1 ZINC000560015756 1072229344 /nfs/dbraw/zinc/22/93/44/1072229344.db2.gz JPLWODZUIGKZNI-FXAWDEMLSA-N 0 3 427.615 -0.690 20 0 IBADHN C[C@@H](CNC(=O)C(=O)NC[C@@]1(N2CCOCC2)CCSC1)CN1CCN(C)CC1 ZINC000560015768 1072229134 /nfs/dbraw/zinc/22/91/34/1072229134.db2.gz JPLWODZUIGKZNI-PXNSSMCTSA-N 0 3 427.615 -0.690 20 0 IBADHN C[C@H](CNC(=O)C(=O)NC[C@@]1(N2CCOCC2)CCSC1)CN1CCN(C)CC1 ZINC000560015770 1072229201 /nfs/dbraw/zinc/22/92/01/1072229201.db2.gz JPLWODZUIGKZNI-XLIONFOSSA-N 0 3 427.615 -0.690 20 0 IBADHN C[C@H](CNC(=O)C(=O)NC[C@]1(N2CCOCC2)CCSC1)CN1CCN(C)CC1 ZINC000560015772 1072229273 /nfs/dbraw/zinc/22/92/73/1072229273.db2.gz JPLWODZUIGKZNI-YLJYHZDGSA-N 0 3 427.615 -0.690 20 0 IBADHN COc1ccc(CN2CC[C@@H](NC(=O)C(=O)NC[C@H](C)CN3CCN(C)CC3)C2=O)cc1 ZINC000560016174 1072229876 /nfs/dbraw/zinc/22/98/76/1072229876.db2.gz RGCHZMXBLMKIHW-FXAWDEMLSA-N 0 3 445.564 -0.088 20 0 IBADHN COc1ccc(CN2CC[C@H](NC(=O)C(=O)NC[C@H](C)CN3CCN(C)CC3)C2=O)cc1 ZINC000560016177 1072229704 /nfs/dbraw/zinc/22/97/04/1072229704.db2.gz RGCHZMXBLMKIHW-PXNSSMCTSA-N 0 3 445.564 -0.088 20 0 IBADHN COc1ccc(CN2CC[C@H](NC(=O)C(=O)NC[C@@H](C)CN3CCN(C)CC3)C2=O)cc1 ZINC000560016179 1072229850 /nfs/dbraw/zinc/22/98/50/1072229850.db2.gz RGCHZMXBLMKIHW-XLIONFOSSA-N 0 3 445.564 -0.088 20 0 IBADHN COc1ccc(CN2CC[C@@H](NC(=O)C(=O)NC[C@@H](C)CN3CCN(C)CC3)C2=O)cc1 ZINC000560016181 1071090701 /nfs/dbraw/zinc/09/07/01/1071090701.db2.gz RGCHZMXBLMKIHW-YLJYHZDGSA-N 0 3 445.564 -0.088 20 0 IBADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N2CCC[C@H](CNS(C)(=O)=O)C2)CC1 ZINC000560031165 1072230816 /nfs/dbraw/zinc/23/08/16/1072230816.db2.gz QFLFQQDCYSYPAB-DLBZAZTESA-N 0 3 431.603 -0.836 20 0 IBADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N2CCC[C@H](CNS(C)(=O)=O)C2)CC1 ZINC000560031166 1072230954 /nfs/dbraw/zinc/23/09/54/1072230954.db2.gz QFLFQQDCYSYPAB-IAGOWNOFSA-N 0 3 431.603 -0.836 20 0 IBADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N2CCC[C@@H](CNS(C)(=O)=O)C2)CC1 ZINC000560031167 1072231063 /nfs/dbraw/zinc/23/10/63/1072231063.db2.gz QFLFQQDCYSYPAB-IRXDYDNUSA-N 0 3 431.603 -0.836 20 0 IBADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N2CCC[C@@H](CNS(C)(=O)=O)C2)CC1 ZINC000560031168 1072231049 /nfs/dbraw/zinc/23/10/49/1072231049.db2.gz QFLFQQDCYSYPAB-SJORKVTESA-N 0 3 431.603 -0.836 20 0 IBADHN C[C@H](CNC(=O)C(=O)N1CCN([C@@H](C)C(=O)N2CCCC2)CC1)CN1CCN(C)CC1 ZINC000560031299 1072231091 /nfs/dbraw/zinc/23/10/91/1072231091.db2.gz VBOQBZOPBQWDRM-MOPGFXCFSA-N 0 3 436.601 -0.859 20 0 IBADHN C[C@@H](CNC(=O)C(=O)N1CCN([C@@H](C)C(=O)N2CCCC2)CC1)CN1CCN(C)CC1 ZINC000560031300 1072231002 /nfs/dbraw/zinc/23/10/02/1072231002.db2.gz VBOQBZOPBQWDRM-OALUTQOASA-N 0 3 436.601 -0.859 20 0 IBADHN C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)C(=O)NC[C@H](C)CN2CCN(C)CC2)CC1 ZINC000560031301 1072230845 /nfs/dbraw/zinc/23/08/45/1072230845.db2.gz VBOQBZOPBQWDRM-RBUKOAKNSA-N 0 3 436.601 -0.859 20 0 IBADHN C[C@H](CNC(=O)C(=O)N1CCN([C@H](C)C(=O)N2CCCC2)CC1)CN1CCN(C)CC1 ZINC000560031302 1072231031 /nfs/dbraw/zinc/23/10/31/1072231031.db2.gz VBOQBZOPBQWDRM-RTBURBONSA-N 0 3 436.601 -0.859 20 0 IBADHN C[C@@H](CNC(=O)C(=O)N1CCCC[C@@H]1CCNS(C)(=O)=O)CN1CCN(C)CC1 ZINC000560031556 1072230437 /nfs/dbraw/zinc/23/04/37/1072230437.db2.gz BCDALJJCRVPOSL-DLBZAZTESA-N 0 3 431.603 -0.694 20 0 IBADHN C[C@H](CNC(=O)C(=O)N1CCCC[C@@H]1CCNS(C)(=O)=O)CN1CCN(C)CC1 ZINC000560031557 1072230281 /nfs/dbraw/zinc/23/02/81/1072230281.db2.gz BCDALJJCRVPOSL-IAGOWNOFSA-N 0 3 431.603 -0.694 20 0 IBADHN C[C@@H](CNC(=O)C(=O)N1CCCC[C@H]1CCNS(C)(=O)=O)CN1CCN(C)CC1 ZINC000560031558 1072230398 /nfs/dbraw/zinc/23/03/98/1072230398.db2.gz BCDALJJCRVPOSL-IRXDYDNUSA-N 0 3 431.603 -0.694 20 0 IBADHN C[C@H](CNC(=O)C(=O)N1CCCC[C@H]1CCNS(C)(=O)=O)CN1CCN(C)CC1 ZINC000560031559 1072230761 /nfs/dbraw/zinc/23/07/61/1072230761.db2.gz BCDALJJCRVPOSL-SJORKVTESA-N 0 3 431.603 -0.694 20 0 IBADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N2CCC[C@H](N3CCCS3(=O)=O)C2)CC1 ZINC000560034499 1072230981 /nfs/dbraw/zinc/23/09/81/1072230981.db2.gz SELMONSZQBYBET-MSOLQXFVSA-N 0 3 443.614 -0.597 20 0 IBADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N2CCC[C@@H](N3CCCS3(=O)=O)C2)CC1 ZINC000560034500 1072231076 /nfs/dbraw/zinc/23/10/76/1072231076.db2.gz SELMONSZQBYBET-QZTJIDSGSA-N 0 3 443.614 -0.597 20 0 IBADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N2CCC[C@H](N3CCCS3(=O)=O)C2)CC1 ZINC000560034501 1072230871 /nfs/dbraw/zinc/23/08/71/1072230871.db2.gz SELMONSZQBYBET-ROUUACIJSA-N 0 3 443.614 -0.597 20 0 IBADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N2CCC[C@@H](N3CCCS3(=O)=O)C2)CC1 ZINC000560034502 1072231637 /nfs/dbraw/zinc/23/16/37/1072231637.db2.gz SELMONSZQBYBET-ZWKOTPCHSA-N 0 3 443.614 -0.597 20 0 IBADHN C[C@@H](CNC(=O)C(=O)NCCCN1C(=O)NC2(CCCC2)C1=O)CN1CCN(C)CC1 ZINC000560035259 1072231602 /nfs/dbraw/zinc/23/16/02/1072231602.db2.gz RGQPWRTWQGUFQT-INIZCTEOSA-N 0 3 436.557 -0.643 20 0 IBADHN C[C@H](CNC(=O)C(=O)NCCCN1C(=O)NC2(CCCC2)C1=O)CN1CCN(C)CC1 ZINC000560035264 1072231541 /nfs/dbraw/zinc/23/15/41/1072231541.db2.gz RGQPWRTWQGUFQT-MRXNPFEDSA-N 0 3 436.557 -0.643 20 0 IBADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)Nc1cccc(C(=O)N(C)CC(N)=O)c1 ZINC000560182812 1072233562 /nfs/dbraw/zinc/23/35/62/1072233562.db2.gz YYLDUPLBFDQVIF-KRWDZBQOSA-N 0 3 433.509 -0.248 20 0 IBADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)Nc1cccc(C(=O)N(C)CC(N)=O)c1 ZINC000560182813 1072233533 /nfs/dbraw/zinc/23/35/33/1072233533.db2.gz YYLDUPLBFDQVIF-QGZVFWFLSA-N 0 3 433.509 -0.248 20 0 IBADHN CCN1CCN(c2cccc(NC(=O)C(=O)NCCn3cc(C(=O)OC)nn3)c2)CC1 ZINC000560192306 1072234195 /nfs/dbraw/zinc/23/41/95/1072234195.db2.gz TYTNIXAHCSTEDJ-UHFFFAOYSA-N 0 3 429.481 -0.039 20 0 IBADHN COC1CCN(C(C)(C)CNC(=O)C(=O)NCCCn2nc3n(c2=O)CCCC3)CC1 ZINC000560284952 1072236321 /nfs/dbraw/zinc/23/63/21/1072236321.db2.gz XGZOCXNSODGRJJ-UHFFFAOYSA-N 0 3 436.557 -0.107 20 0 IBADHN O=C(NCCCCN1CCN(CCO)CC1)C(=O)NCc1cccc2c1OCCCO2 ZINC000560290526 1072237915 /nfs/dbraw/zinc/23/79/15/1072237915.db2.gz PDASUUFFGLOFOA-UHFFFAOYSA-N 0 3 434.537 -0.030 20 0 IBADHN COCCN(C)CCN1C[C@@H](NC(=O)CN(C)S(=O)(=O)c2ccccc2)CC1=O ZINC000560586661 1072241777 /nfs/dbraw/zinc/24/17/77/1072241777.db2.gz JSOPTJISHOAVIT-INIZCTEOSA-N 0 3 426.539 -0.398 20 0 IBADHN COCCN(C)CCN1C[C@H](NC(=O)CN(C)S(=O)(=O)c2ccccc2)CC1=O ZINC000560586667 1072241927 /nfs/dbraw/zinc/24/19/27/1072241927.db2.gz JSOPTJISHOAVIT-MRXNPFEDSA-N 0 3 426.539 -0.398 20 0 IBADHN COCCN(C)CCN1C[C@@H](NC(=O)C2CCN(c3ccc4nncn4n3)CC2)CC1=O ZINC000560587036 1072241645 /nfs/dbraw/zinc/24/16/45/1072241645.db2.gz KFBDFINWMQZNBP-KRWDZBQOSA-N 0 3 444.540 -0.364 20 0 IBADHN COCCN(C)CCN1C[C@H](NC(=O)C2CCN(c3ccc4nncn4n3)CC2)CC1=O ZINC000560587037 1072241907 /nfs/dbraw/zinc/24/19/07/1072241907.db2.gz KFBDFINWMQZNBP-QGZVFWFLSA-N 0 3 444.540 -0.364 20 0 IBADHN CCn1c2ccc(C(=O)N[C@H]3CC(=O)N(CCN(C)CCOC)C3)cc2[nH]c(=O)c1=O ZINC000560591868 1072241668 /nfs/dbraw/zinc/24/16/68/1072241668.db2.gz QYAKDBUOPUCKQV-HNNXBMFYSA-N 0 3 431.493 -0.381 20 0 IBADHN CCn1c2ccc(C(=O)N[C@@H]3CC(=O)N(CCN(C)CCOC)C3)cc2[nH]c(=O)c1=O ZINC000560591870 1072241609 /nfs/dbraw/zinc/24/16/09/1072241609.db2.gz QYAKDBUOPUCKQV-OAHLLOKOSA-N 0 3 431.493 -0.381 20 0 IBADHN CNS(=O)(=O)c1cc(C(=O)N[C@H]2CC(=O)N(CCN(C)CCOC)C2)ccc1OC ZINC000560592446 1072241694 /nfs/dbraw/zinc/24/16/94/1072241694.db2.gz PAKPJSMCDBOBLE-HNNXBMFYSA-N 0 3 442.538 -0.488 20 0 IBADHN CNS(=O)(=O)c1cc(C(=O)N[C@@H]2CC(=O)N(CCN(C)CCOC)C2)ccc1OC ZINC000560592447 1072241829 /nfs/dbraw/zinc/24/18/29/1072241829.db2.gz PAKPJSMCDBOBLE-OAHLLOKOSA-N 0 3 442.538 -0.488 20 0 IBADHN CN(C)[C@H]1CN(C(=O)C2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)C[C@@H]1O ZINC000560634657 1072242359 /nfs/dbraw/zinc/24/23/59/1072242359.db2.gz KDZHBOUEZVZBPJ-IRXDYDNUSA-N 0 3 439.534 -0.008 20 0 IBADHN CCN1CCN([C@H]2CCN(C(=O)C(=O)NCc3cccnc3N3CCN(C)CC3)C2)CC1 ZINC000560749453 1072246757 /nfs/dbraw/zinc/24/67/57/1072246757.db2.gz CLHGWPGINSMEBB-FQEVSTJZSA-N 0 3 443.596 -0.312 20 0 IBADHN CCN1CCN([C@@H]2CCN(C(=O)C(=O)NCc3cccnc3N3CCN(C)CC3)C2)CC1 ZINC000560749454 1072246671 /nfs/dbraw/zinc/24/66/71/1072246671.db2.gz CLHGWPGINSMEBB-HXUWFJFHSA-N 0 3 443.596 -0.312 20 0 IBADHN C[C@H](CNC(=O)C(=O)NCCC(=O)N1CCN(c2ncccn2)CC1)N1CCC(C)CC1 ZINC000560764080 1072247199 /nfs/dbraw/zinc/24/71/99/1072247199.db2.gz MFJCAJVEKJLUIV-GOSISDBHSA-N 0 3 445.568 -0.132 20 0 IBADHN C[C@@H](CNC(=O)C(=O)NCCC(=O)N1CCN(c2ncccn2)CC1)N1CCC(C)CC1 ZINC000560764081 1072247299 /nfs/dbraw/zinc/24/72/99/1072247299.db2.gz MFJCAJVEKJLUIV-SFHVURJKSA-N 0 3 445.568 -0.132 20 0 IBADHN CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)NCCCN2CCN(C)CC2)c1 ZINC000560857328 1072249482 /nfs/dbraw/zinc/24/94/82/1072249482.db2.gz CRUZUDXHNUHTKR-UHFFFAOYSA-N 0 3 425.555 -0.580 20 0 IBADHN CN1CCN(CCNC(=O)C(=O)NCC(=O)N2CCN(c3ccccc3)CC2)CC1(C)C ZINC000560879060 1072251054 /nfs/dbraw/zinc/25/10/54/1072251054.db2.gz ZUGQKPUYEFUNFQ-UHFFFAOYSA-N 0 3 444.580 -0.406 20 0 IBADHN CN(C)Cc1ccc(N2CCN(C(=O)C(=O)NCCNC(=O)c3cnccn3)CC2)nc1 ZINC000560917975 1072255078 /nfs/dbraw/zinc/25/50/78/1072255078.db2.gz UWMJDDJKXROAAC-UHFFFAOYSA-N 0 3 440.508 -0.872 20 0 IBADHN O=C(NCCNC(=O)c1cnccn1)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000560919740 1072255023 /nfs/dbraw/zinc/25/50/23/1072255023.db2.gz ZMXKRFQBRIHHKV-GOSISDBHSA-N 0 3 440.504 -0.270 20 0 IBADHN O=C(NCCNC(=O)c1cnccn1)C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000560919743 1072255236 /nfs/dbraw/zinc/25/52/36/1072255236.db2.gz ZMXKRFQBRIHHKV-SFHVURJKSA-N 0 3 440.504 -0.270 20 0 IBADHN O=C(CCNC(=O)C(=O)N1CC[C@H](N2CCCC2)C1)N1CCN(c2ncccn2)CC1 ZINC000560981566 1072258917 /nfs/dbraw/zinc/25/89/17/1072258917.db2.gz SYRPKGJRHOUAJS-KRWDZBQOSA-N 0 3 429.525 -0.672 20 0 IBADHN O=C(CCNC(=O)C(=O)N1CC[C@@H](N2CCCC2)C1)N1CCN(c2ncccn2)CC1 ZINC000560981567 1072258772 /nfs/dbraw/zinc/25/87/72/1072258772.db2.gz SYRPKGJRHOUAJS-QGZVFWFLSA-N 0 3 429.525 -0.672 20 0 IBADHN C[C@H](NC(=O)C(=O)NCCC(=O)N1CCN(c2ncccn2)CC1)C1=CCN(C)CC1 ZINC000560986465 1072260413 /nfs/dbraw/zinc/26/04/13/1072260413.db2.gz PJPGUOINZLNVQC-INIZCTEOSA-N 0 3 429.525 -0.602 20 0 IBADHN C[C@@H](NC(=O)C(=O)NCCC(=O)N1CCN(c2ncccn2)CC1)C1=CCN(C)CC1 ZINC000560986468 1072260446 /nfs/dbraw/zinc/26/04/46/1072260446.db2.gz PJPGUOINZLNVQC-MRXNPFEDSA-N 0 3 429.525 -0.602 20 0 IBADHN CCN1CCCC[C@H]1CNC(=O)C(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 ZINC000560986927 1072261007 /nfs/dbraw/zinc/26/10/07/1072261007.db2.gz WQFMWTGHKRHPFQ-KRWDZBQOSA-N 0 3 431.541 -0.378 20 0 IBADHN CCN1CCCC[C@@H]1CNC(=O)C(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 ZINC000560986934 1072260989 /nfs/dbraw/zinc/26/09/89/1072260989.db2.gz WQFMWTGHKRHPFQ-QGZVFWFLSA-N 0 3 431.541 -0.378 20 0 IBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)N1CCC[C@@H](c2nc(N(C)C)no2)C1 ZINC000561041324 1071143336 /nfs/dbraw/zinc/14/33/36/1071143336.db2.gz AZSMJGRTAVMUFI-CVEARBPZSA-N 0 3 449.556 -0.100 20 0 IBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)N1CCC[C@H](c2nc(N(C)C)no2)C1 ZINC000561041325 1072262051 /nfs/dbraw/zinc/26/20/51/1072262051.db2.gz AZSMJGRTAVMUFI-HOTGVXAUSA-N 0 3 449.556 -0.100 20 0 IBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)N1CCC[C@@H](c2nc(N(C)C)no2)C1 ZINC000561041326 1072262067 /nfs/dbraw/zinc/26/20/67/1072262067.db2.gz AZSMJGRTAVMUFI-HZPDHXFCSA-N 0 3 449.556 -0.100 20 0 IBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)N1CCC[C@H](c2nc(N(C)C)no2)C1 ZINC000561041327 1072262031 /nfs/dbraw/zinc/26/20/31/1072262031.db2.gz AZSMJGRTAVMUFI-JKSUJKDBSA-N 0 3 449.556 -0.100 20 0 IBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)N1CCN(Cc2nccn2C)CC1 ZINC000561044736 1072262287 /nfs/dbraw/zinc/26/22/87/1072262287.db2.gz GNONNMQSXXZKMC-KRWDZBQOSA-N 0 3 433.557 -0.877 20 0 IBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)N1CCN(Cc2nccn2C)CC1 ZINC000561044741 1072262166 /nfs/dbraw/zinc/26/21/66/1072262166.db2.gz GNONNMQSXXZKMC-QGZVFWFLSA-N 0 3 433.557 -0.877 20 0 IBADHN Cc1nccc(N2CCN(C(=O)C(=O)NCCCN3CCC[C@H]3C(=O)N(C)C)CC2)n1 ZINC000561045830 1072262001 /nfs/dbraw/zinc/26/20/01/1072262001.db2.gz KPMRGGHONKBYEK-KRWDZBQOSA-N 0 3 431.541 -0.507 20 0 IBADHN Cc1nccc(N2CCN(C(=O)C(=O)NCCCN3CCC[C@@H]3C(=O)N(C)C)CC2)n1 ZINC000561045831 1072263090 /nfs/dbraw/zinc/26/30/90/1072263090.db2.gz KPMRGGHONKBYEK-QGZVFWFLSA-N 0 3 431.541 -0.507 20 0 IBADHN COc1cc(N2CCN(C(=O)C(=O)NCCCN3CCC[C@H]3C(=O)N(C)C)CC2)ncn1 ZINC000561046074 1072262979 /nfs/dbraw/zinc/26/29/79/1072262979.db2.gz OXWAOCLCOXWEPZ-INIZCTEOSA-N 0 3 447.540 -0.807 20 0 IBADHN COc1cc(N2CCN(C(=O)C(=O)NCCCN3CCC[C@@H]3C(=O)N(C)C)CC2)ncn1 ZINC000561046077 1072262884 /nfs/dbraw/zinc/26/28/84/1072262884.db2.gz OXWAOCLCOXWEPZ-MRXNPFEDSA-N 0 3 447.540 -0.807 20 0 IBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](CO)C1 ZINC000561046288 1072262798 /nfs/dbraw/zinc/26/27/98/1072262798.db2.gz KXHYFTFHRDOIRM-BZSNNMDCSA-N 0 3 434.541 -0.987 20 0 IBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)N1C[C@@H](c2cnn(C)c2)[C@H](CO)C1 ZINC000561046289 1072262638 /nfs/dbraw/zinc/26/26/38/1072262638.db2.gz KXHYFTFHRDOIRM-OKZBNKHCSA-N 0 3 434.541 -0.987 20 0 IBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)N[C@H]1CCN(c2ncccc2F)C1 ZINC000561047050 1072263003 /nfs/dbraw/zinc/26/30/03/1072263003.db2.gz PGQQDTNKPVCQAN-DOTOQJQBSA-N 0 3 434.516 -0.026 20 0 IBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)N[C@@H]1CCN(c2ncccc2F)C1 ZINC000561047051 1072262608 /nfs/dbraw/zinc/26/26/08/1072262608.db2.gz PGQQDTNKPVCQAN-NVXWUHKLSA-N 0 3 434.516 -0.026 20 0 IBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)N[C@H]1CCN(c2ncccc2F)C1 ZINC000561047052 1072262958 /nfs/dbraw/zinc/26/29/58/1072262958.db2.gz PGQQDTNKPVCQAN-RDJZCZTQSA-N 0 3 434.516 -0.026 20 0 IBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)N[C@@H]1CCN(c2ncccc2F)C1 ZINC000561047053 1072262862 /nfs/dbraw/zinc/26/28/62/1072262862.db2.gz PGQQDTNKPVCQAN-WBVHZDCISA-N 0 3 434.516 -0.026 20 0 IBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)N[C@H]1CCCN(c2ccnn2C)C1 ZINC000561047136 1072262912 /nfs/dbraw/zinc/26/29/12/1072262912.db2.gz QFDGBCLECGQLIH-DLBZAZTESA-N 0 3 433.557 -0.436 20 0 IBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)N[C@@H]1CCCN(c2ccnn2C)C1 ZINC000561047140 1072262817 /nfs/dbraw/zinc/26/28/17/1072262817.db2.gz QFDGBCLECGQLIH-IAGOWNOFSA-N 0 3 433.557 -0.436 20 0 IBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)N[C@H]1CCCN(c2ccnn2C)C1 ZINC000561047142 1072262720 /nfs/dbraw/zinc/26/27/20/1072262720.db2.gz QFDGBCLECGQLIH-IRXDYDNUSA-N 0 3 433.557 -0.436 20 0 IBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)N[C@@H]1CCCN(c2ccnn2C)C1 ZINC000561047143 1072262751 /nfs/dbraw/zinc/26/27/51/1072262751.db2.gz QFDGBCLECGQLIH-SJORKVTESA-N 0 3 433.557 -0.436 20 0 IBADHN Cc1cc(CN2CCN(C(=O)C(=O)NCCCN3CCC[C@@H]3C(=O)N(C)C)CC2)no1 ZINC000561048279 1072263468 /nfs/dbraw/zinc/26/34/68/1072263468.db2.gz YPYZOYPYSYBODQ-GOSISDBHSA-N 0 3 434.541 -0.314 20 0 IBADHN Cc1cc(CN2CCN(C(=O)C(=O)NCCCN3CCC[C@H]3C(=O)N(C)C)CC2)no1 ZINC000561048280 1072263506 /nfs/dbraw/zinc/26/35/06/1072263506.db2.gz YPYZOYPYSYBODQ-SFHVURJKSA-N 0 3 434.541 -0.314 20 0 IBADHN CCN1CCCC[C@H]1CNC(=O)C(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000561169432 1072268694 /nfs/dbraw/zinc/26/86/94/1072268694.db2.gz IZNMAABJDKXHHA-DLBZAZTESA-N 0 3 430.571 -0.370 20 0 IBADHN CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000561169433 1072268838 /nfs/dbraw/zinc/26/88/38/1072268838.db2.gz IZNMAABJDKXHHA-IAGOWNOFSA-N 0 3 430.571 -0.370 20 0 IBADHN CCN1CCCC[C@H]1CNC(=O)C(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000561169434 1072268742 /nfs/dbraw/zinc/26/87/42/1072268742.db2.gz IZNMAABJDKXHHA-IRXDYDNUSA-N 0 3 430.571 -0.370 20 0 IBADHN CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000561169435 1072268856 /nfs/dbraw/zinc/26/88/56/1072268856.db2.gz IZNMAABJDKXHHA-SJORKVTESA-N 0 3 430.571 -0.370 20 0 IBADHN CCN1CCCC[C@H]1CNC(=O)C(=O)N1CCN(S(=O)(=O)CCOC(C)C)CC1 ZINC000561172814 1072268672 /nfs/dbraw/zinc/26/86/72/1072268672.db2.gz RWGIVAWGCSOORI-KRWDZBQOSA-N 0 3 432.587 -0.124 20 0 IBADHN CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CCN(S(=O)(=O)CCOC(C)C)CC1 ZINC000561172938 1072268412 /nfs/dbraw/zinc/26/84/12/1072268412.db2.gz RWGIVAWGCSOORI-QGZVFWFLSA-N 0 3 432.587 -0.124 20 0 IBADHN CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 ZINC000561172954 1072268812 /nfs/dbraw/zinc/26/88/12/1072268812.db2.gz SAUKFTJDRHPKNB-GOSISDBHSA-N 0 3 445.568 -0.048 20 0 IBADHN CCN1CCCC[C@H]1CNC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 ZINC000561172957 1072268518 /nfs/dbraw/zinc/26/85/18/1072268518.db2.gz SAUKFTJDRHPKNB-SFHVURJKSA-N 0 3 445.568 -0.048 20 0 IBADHN Cc1nc(S(=O)(=O)N2CCN(c3nc(NCCO)nc(NC(C)C)n3)CC2)cs1 ZINC000561178538 1072268640 /nfs/dbraw/zinc/26/86/40/1072268640.db2.gz XICCUJKNEUAIRO-UHFFFAOYSA-N 0 3 442.571 -0.784 20 0 IBADHN CCOC(=O)c1cnc(N2CCN(c3nc(NCCO)nc(NC(C)C)n3)CC2)s1 ZINC000561204162 1072269362 /nfs/dbraw/zinc/26/93/62/1072269362.db2.gz BYXMHCXKIPMIIC-UHFFFAOYSA-N 0 3 436.542 -0.100 20 0 IBADHN O=C(CN1CCCC1)N1CCN(C(=O)C(=O)NCc2nccn2CC(F)(F)F)CC1 ZINC000561243833 1072270652 /nfs/dbraw/zinc/27/06/52/1072270652.db2.gz DZHXBXURFZKNGK-UHFFFAOYSA-N 0 3 430.431 -0.172 20 0 IBADHN O=C(CN1CCN(C(=O)C(=O)NCCCN2CCc3ccccc3C2)CC1)NC1CC1 ZINC000561273229 1072271182 /nfs/dbraw/zinc/27/11/82/1072271182.db2.gz COKNCPPGWQQQCK-UHFFFAOYSA-N 0 3 427.549 -0.026 20 0 IBADHN C[C@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)NCc1cccnc1N1CCC(C(N)=O)CC1 ZINC000561276520 1072272169 /nfs/dbraw/zinc/27/21/69/1072272169.db2.gz UPLJMTMUXZVGQL-KBXCAEBGSA-N 0 3 428.537 -0.002 20 0 IBADHN C[C@@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)NCc1cccnc1N1CCC(C(N)=O)CC1 ZINC000561276521 1072272132 /nfs/dbraw/zinc/27/21/32/1072272132.db2.gz UPLJMTMUXZVGQL-KDOFPFPSSA-N 0 3 428.537 -0.002 20 0 IBADHN C[C@H]1CN(C2CC2)C[C@@H]1NC(=O)C(=O)NCc1cccnc1N1CCC(C(N)=O)CC1 ZINC000561276522 1072271916 /nfs/dbraw/zinc/27/19/16/1072271916.db2.gz UPLJMTMUXZVGQL-KSSFIOAISA-N 0 3 428.537 -0.002 20 0 IBADHN C[C@@H]1CN(C2CC2)C[C@H]1NC(=O)C(=O)NCc1cccnc1N1CCC(C(N)=O)CC1 ZINC000561276524 1072271793 /nfs/dbraw/zinc/27/17/93/1072271793.db2.gz UPLJMTMUXZVGQL-RDTXWAMCSA-N 0 3 428.537 -0.002 20 0 IBADHN CN1CCO[C@@H](C(=O)NCCN(CCN2CCCCC2)C(=O)[C@@H]2CN(C)CCO2)C1 ZINC000561285895 1072272445 /nfs/dbraw/zinc/27/24/45/1072272445.db2.gz HICMFTQPASAZEQ-MOPGFXCFSA-N 0 3 425.574 -0.922 20 0 IBADHN CN1CCO[C@H](C(=O)NCCN(CCN2CCCCC2)C(=O)[C@@H]2CN(C)CCO2)C1 ZINC000561285896 1072272635 /nfs/dbraw/zinc/27/26/35/1072272635.db2.gz HICMFTQPASAZEQ-OALUTQOASA-N 0 3 425.574 -0.922 20 0 IBADHN CN1CCO[C@@H](C(=O)N(CCNC(=O)[C@@H]2CN(C)CCO2)CCN2CCCCC2)C1 ZINC000561285897 1072272561 /nfs/dbraw/zinc/27/25/61/1072272561.db2.gz HICMFTQPASAZEQ-RBUKOAKNSA-N 0 3 425.574 -0.922 20 0 IBADHN CN1CCO[C@@H](C(=O)NCCN(CCN2CCCCC2)C(=O)[C@H]2CN(C)CCO2)C1 ZINC000561285898 1072272539 /nfs/dbraw/zinc/27/25/39/1072272539.db2.gz HICMFTQPASAZEQ-RTBURBONSA-N 0 3 425.574 -0.922 20 0 IBADHN CN1CCOC[C@@H]1C(=O)NCCN(CCN1CCCCC1)C(=O)[C@@H]1COCCN1C ZINC000561288243 1072272467 /nfs/dbraw/zinc/27/24/67/1072272467.db2.gz ZKDMTDYEJSPGJO-MOPGFXCFSA-N 0 3 425.574 -0.922 20 0 IBADHN CN1CCOC[C@H]1C(=O)NCCN(CCN1CCCCC1)C(=O)[C@@H]1COCCN1C ZINC000561288244 1072272669 /nfs/dbraw/zinc/27/26/69/1072272669.db2.gz ZKDMTDYEJSPGJO-OALUTQOASA-N 0 3 425.574 -0.922 20 0 IBADHN CN1CCOC[C@@H]1C(=O)N(CCNC(=O)[C@@H]1COCCN1C)CCN1CCCCC1 ZINC000561288245 1072273050 /nfs/dbraw/zinc/27/30/50/1072273050.db2.gz ZKDMTDYEJSPGJO-RBUKOAKNSA-N 0 3 425.574 -0.922 20 0 IBADHN CN1CCOC[C@@H]1C(=O)NCCN(CCN1CCCCC1)C(=O)[C@H]1COCCN1C ZINC000561288246 1072273099 /nfs/dbraw/zinc/27/30/99/1072273099.db2.gz ZKDMTDYEJSPGJO-RTBURBONSA-N 0 3 425.574 -0.922 20 0 IBADHN COC1CCN(C(C)(C)CNC(=O)C(=O)N2CC[C@H](S(=O)(=O)NC(C)C)C2)CC1 ZINC000561343602 1072274055 /nfs/dbraw/zinc/27/40/55/1072274055.db2.gz AWISXGALOAFDSF-INIZCTEOSA-N 0 3 432.587 -0.079 20 0 IBADHN COC1CCN(C(C)(C)CNC(=O)C(=O)N2CC[C@@H](S(=O)(=O)NC(C)C)C2)CC1 ZINC000561343604 1072273932 /nfs/dbraw/zinc/27/39/32/1072273932.db2.gz AWISXGALOAFDSF-MRXNPFEDSA-N 0 3 432.587 -0.079 20 0 IBADHN CC(C)Nc1nc(NCCO)nc(NCCNS(=O)(=O)c2ccc(F)cc2Cl)n1 ZINC000561347246 1072273984 /nfs/dbraw/zinc/27/39/84/1072273984.db2.gz VMVATMJWCCOLOG-UHFFFAOYSA-N 0 3 447.924 -0.455 20 0 IBADHN COCCN(CCN(C)C)C(=O)C(=O)NC[C@@H]1CCCN(c2nccn3cnnc23)C1 ZINC000561377807 1072276788 /nfs/dbraw/zinc/27/67/88/1072276788.db2.gz ATRREYFNQGLRLM-INIZCTEOSA-N 0 3 432.529 -0.507 20 0 IBADHN COCCN(CCN(C)C)C(=O)C(=O)NC[C@H]1CCCN(c2nccn3cnnc23)C1 ZINC000561377808 1071156450 /nfs/dbraw/zinc/15/64/50/1071156450.db2.gz ATRREYFNQGLRLM-MRXNPFEDSA-N 0 3 432.529 -0.507 20 0 IBADHN CCN1CCN(C(=O)CC2CCN(C(=O)C(=O)N[C@H]3CCN(CCOC)C3)CC2)CC1 ZINC000561440728 1072279193 /nfs/dbraw/zinc/27/91/93/1072279193.db2.gz MEBZYMYIZWKYLP-IBGZPJMESA-N 0 3 437.585 -0.384 20 0 IBADHN CCN1CCN(C(=O)CC2CCN(C(=O)C(=O)N[C@@H]3CCN(CCOC)C3)CC2)CC1 ZINC000561440729 1072279140 /nfs/dbraw/zinc/27/91/40/1072279140.db2.gz MEBZYMYIZWKYLP-LJQANCHMSA-N 0 3 437.585 -0.384 20 0 IBADHN O=C(NCCS(=O)(=O)N1CCSCC1)C(=O)N1CCCN(C2CCCC2)CC1 ZINC000561459300 1072279665 /nfs/dbraw/zinc/27/96/65/1072279665.db2.gz NTMPFAVMULFSAM-UHFFFAOYSA-N 0 3 432.612 -0.042 20 0 IBADHN CN(C)CCN(Cc1ccco1)C(=O)C(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000561459330 1072279791 /nfs/dbraw/zinc/27/97/91/1072279791.db2.gz IWOGETBOHYYEJR-UHFFFAOYSA-N 0 3 432.568 -0.335 20 0 IBADHN CN(CCCN1CCN(C)CC1)C(=O)C(=O)NCCOc1ccc(S(C)(=O)=O)cc1 ZINC000561476635 1072281430 /nfs/dbraw/zinc/28/14/30/1072281430.db2.gz WMBMGRYKLAKINU-UHFFFAOYSA-N 0 3 440.566 -0.319 20 0 IBADHN CN1CCN(CCCNC(=O)CNS(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 ZINC000561556904 1072284071 /nfs/dbraw/zinc/28/40/71/1072284071.db2.gz ZJKNQRNRRGHNCT-UHFFFAOYSA-N 0 3 426.539 -0.120 20 0 IBADHN Cc1cc(NC(=O)C(=O)NCCS(N)(=O)=O)n([C@H]2CCN(Cc3ccccc3)C2)n1 ZINC000561605328 1072286252 /nfs/dbraw/zinc/28/62/52/1072286252.db2.gz SFIXKKMOXVHBID-INIZCTEOSA-N 0 3 434.522 -0.018 20 0 IBADHN Cc1cc(NC(=O)C(=O)NCCS(N)(=O)=O)n([C@@H]2CCN(Cc3ccccc3)C2)n1 ZINC000561605329 1072286289 /nfs/dbraw/zinc/28/62/89/1072286289.db2.gz SFIXKKMOXVHBID-MRXNPFEDSA-N 0 3 434.522 -0.018 20 0 IBADHN CN(C)C[C@H]1CN(C(=O)C(=O)NC[C@H]2CCCN(c3nccn4cnnc34)C2)CCO1 ZINC000561707581 1072289315 /nfs/dbraw/zinc/28/93/15/1072289315.db2.gz PUNUXQKPMKNGDI-CVEARBPZSA-N 0 3 430.513 -0.754 20 0 IBADHN CN(C)C[C@H]1CN(C(=O)C(=O)NC[C@@H]2CCCN(c3nccn4cnnc34)C2)CCO1 ZINC000561707582 1072290074 /nfs/dbraw/zinc/29/00/74/1072290074.db2.gz PUNUXQKPMKNGDI-HOTGVXAUSA-N 0 3 430.513 -0.754 20 0 IBADHN CN(C)C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CCCN(c3nccn4cnnc34)C2)CCO1 ZINC000561707583 1072289988 /nfs/dbraw/zinc/28/99/88/1072289988.db2.gz PUNUXQKPMKNGDI-HZPDHXFCSA-N 0 3 430.513 -0.754 20 0 IBADHN CN(C)C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CCCN(c3nccn4cnnc34)C2)CCO1 ZINC000561707584 1072289859 /nfs/dbraw/zinc/28/98/59/1072289859.db2.gz PUNUXQKPMKNGDI-JKSUJKDBSA-N 0 3 430.513 -0.754 20 0 IBADHN COc1ccnc(N2CCN(C(=O)C(=O)NC3CCN(CC(=O)N(C)C)CC3)CC2)c1 ZINC000561741701 1072291439 /nfs/dbraw/zinc/29/14/39/1072291439.db2.gz YIQQMBMATDFZOI-UHFFFAOYSA-N 0 3 432.525 -0.592 20 0 IBADHN CN(C)C(=O)CN1CCC(NC(=O)C(=O)N(C)CC(C)(C)CN2CCOCC2)CC1 ZINC000561760302 1072292786 /nfs/dbraw/zinc/29/27/86/1072292786.db2.gz KRLCXRAIFAUFKD-UHFFFAOYSA-N 0 3 425.574 -0.528 20 0 IBADHN CCN1CCN(CC(=O)NCc2ccc(C(=O)NCCN3CCCC3)cc2)C(=O)C1=O ZINC000561800893 1072294278 /nfs/dbraw/zinc/29/42/78/1072294278.db2.gz HLBUGJQJMYNNRK-UHFFFAOYSA-N 0 3 429.521 -0.181 20 0 IBADHN O=C(NCCCCN1CCN(CCO)CC1)C(=O)N[C@H]1CCN(c2ccccc2)C1=O ZINC000561834079 1072295740 /nfs/dbraw/zinc/29/57/40/1072295740.db2.gz RODCSIJHHDGRMY-IBGZPJMESA-N 0 3 431.537 -0.586 20 0 IBADHN O=C(NCCCCN1CCN(CCO)CC1)C(=O)N[C@@H]1CCN(c2ccccc2)C1=O ZINC000561834080 1072295901 /nfs/dbraw/zinc/29/59/01/1072295901.db2.gz RODCSIJHHDGRMY-LJQANCHMSA-N 0 3 431.537 -0.586 20 0 IBADHN O=C(CN1CCCC1)N1CCN(C(=O)C(=O)NCc2cccc(-n3cncn3)c2)CC1 ZINC000561864234 1072296743 /nfs/dbraw/zinc/29/67/43/1072296743.db2.gz FNGKSZSLUZLPLE-UHFFFAOYSA-N 0 3 425.493 -0.350 20 0 IBADHN Cn1nc(CCNC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)c2ccccc21 ZINC000561868970 1072297403 /nfs/dbraw/zinc/29/74/03/1072297403.db2.gz WELMSNWJIQXNFI-UHFFFAOYSA-N 0 3 426.521 -0.001 20 0 IBADHN COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)N[C@@H](C)C2=CCN(C)CC2)C1 ZINC000561967829 1072301146 /nfs/dbraw/zinc/30/11/46/1072301146.db2.gz IXFKLXHYXDWZLY-DOTOQJQBSA-N 0 3 430.571 -0.348 20 0 IBADHN COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)N[C@H](C)C2=CCN(C)CC2)C1 ZINC000561967834 1072301203 /nfs/dbraw/zinc/30/12/03/1072301203.db2.gz IXFKLXHYXDWZLY-NVXWUHKLSA-N 0 3 430.571 -0.348 20 0 IBADHN COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)C(=O)N[C@@H](C)C2=CCN(C)CC2)C1 ZINC000561967836 1072301021 /nfs/dbraw/zinc/30/10/21/1072301021.db2.gz IXFKLXHYXDWZLY-RDJZCZTQSA-N 0 3 430.571 -0.348 20 0 IBADHN COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)C(=O)N[C@H](C)C2=CCN(C)CC2)C1 ZINC000561967838 1072301055 /nfs/dbraw/zinc/30/10/55/1072301055.db2.gz IXFKLXHYXDWZLY-WBVHZDCISA-N 0 3 430.571 -0.348 20 0 IBADHN C[C@@H](CNC(=O)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1)N(C)Cc1ccccc1 ZINC000561972396 1072301186 /nfs/dbraw/zinc/30/11/86/1072301186.db2.gz PIBYWYREFMLOSP-INIZCTEOSA-N 0 3 429.521 -0.428 20 0 IBADHN C[C@H](CNC(=O)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1)N(C)Cc1ccccc1 ZINC000561972397 1072301001 /nfs/dbraw/zinc/30/10/01/1072301001.db2.gz PIBYWYREFMLOSP-MRXNPFEDSA-N 0 3 429.521 -0.428 20 0 IBADHN C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)C(=O)NC[C@@H]2N(C)CCCC2(C)C)CC1 ZINC000562011952 1072303670 /nfs/dbraw/zinc/30/36/70/1072303670.db2.gz PAXAPYRPIIWSBF-MSOLQXFVSA-N 0 3 437.585 -0.386 20 0 IBADHN C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)C(=O)NC[C@H]2N(C)CCCC2(C)C)CC1 ZINC000562011957 1072303651 /nfs/dbraw/zinc/30/36/51/1072303651.db2.gz PAXAPYRPIIWSBF-QZTJIDSGSA-N 0 3 437.585 -0.386 20 0 IBADHN C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)C(=O)NC[C@@H]2N(C)CCCC2(C)C)CC1 ZINC000562011958 1072303626 /nfs/dbraw/zinc/30/36/26/1072303626.db2.gz PAXAPYRPIIWSBF-ROUUACIJSA-N 0 3 437.585 -0.386 20 0 IBADHN C[C@@H](C(=O)N1CCOCC1)N1CCN(C(=O)C(=O)NC[C@H]2N(C)CCCC2(C)C)CC1 ZINC000562011959 1072303291 /nfs/dbraw/zinc/30/32/91/1072303291.db2.gz PAXAPYRPIIWSBF-ZWKOTPCHSA-N 0 3 437.585 -0.386 20 0 IBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N[C@@H]2CCCC[C@@H]2N2CCOCC2)CC1 ZINC000562026036 1072304158 /nfs/dbraw/zinc/30/41/58/1072304158.db2.gz AWLFZJSARPNCCV-CEXWTWQISA-N 0 3 435.569 -0.489 20 0 IBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N[C@H]2CCCC[C@@H]2N2CCOCC2)CC1 ZINC000562026037 1072304244 /nfs/dbraw/zinc/30/42/44/1072304244.db2.gz AWLFZJSARPNCCV-GBESFXJTSA-N 0 3 435.569 -0.489 20 0 IBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N[C@@H]2CCCC[C@H]2N2CCOCC2)CC1 ZINC000562026038 1072304225 /nfs/dbraw/zinc/30/42/25/1072304225.db2.gz AWLFZJSARPNCCV-GUDVDZBRSA-N 0 3 435.569 -0.489 20 0 IBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N[C@H]2CCCC[C@H]2N2CCOCC2)CC1 ZINC000562026039 1072304203 /nfs/dbraw/zinc/30/42/03/1072304203.db2.gz AWLFZJSARPNCCV-IPMKNSEASA-N 0 3 435.569 -0.489 20 0 IBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N[C@@H]2CCCC[C@@H]2N2CCOCC2)CC1 ZINC000562031323 1072304174 /nfs/dbraw/zinc/30/41/74/1072304174.db2.gz VNZQMTSZTODLJB-MOPGFXCFSA-N 0 3 437.585 -0.241 20 0 IBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N[C@H]2CCCC[C@@H]2N2CCOCC2)CC1 ZINC000562031324 1072304297 /nfs/dbraw/zinc/30/42/97/1072304297.db2.gz VNZQMTSZTODLJB-OALUTQOASA-N 0 3 437.585 -0.241 20 0 IBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N[C@H]2CCCC[C@H]2N2CCOCC2)CC1 ZINC000562031325 1072304308 /nfs/dbraw/zinc/30/43/08/1072304308.db2.gz VNZQMTSZTODLJB-RBUKOAKNSA-N 0 3 437.585 -0.241 20 0 IBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N[C@@H]2CCCC[C@H]2N2CCOCC2)CC1 ZINC000562031326 1072304904 /nfs/dbraw/zinc/30/49/04/1072304904.db2.gz VNZQMTSZTODLJB-RTBURBONSA-N 0 3 437.585 -0.241 20 0 IBADHN CN1CCN(C(=O)CC2CCN(CCn3cnc4c3c(=O)n(C)c(=O)n4C)CC2)CC1 ZINC000562051207 1072305395 /nfs/dbraw/zinc/30/53/95/1072305395.db2.gz FLGYYLKWZWSUHI-UHFFFAOYSA-N 0 3 431.541 -0.690 20 0 IBADHN COCCNS(=O)(=O)c1cccc(CNC(=O)C(=O)N(C)CCN2CCCC2)c1 ZINC000562125807 1072307839 /nfs/dbraw/zinc/30/78/39/1072307839.db2.gz YSJHPWFHXZDGIF-UHFFFAOYSA-N 0 3 426.539 -0.218 20 0 IBADHN CCN1CCC[C@H]1CNC(=O)C(=O)NCc1cccc(S(=O)(=O)NCCOC)c1 ZINC000562128007 1072307873 /nfs/dbraw/zinc/30/78/73/1072307873.db2.gz MBQDWFDFMQFBTO-INIZCTEOSA-N 0 3 426.539 -0.172 20 0 IBADHN CCN1CCC[C@@H]1CNC(=O)C(=O)NCc1cccc(S(=O)(=O)NCCOC)c1 ZINC000562128008 1072307958 /nfs/dbraw/zinc/30/79/58/1072307958.db2.gz MBQDWFDFMQFBTO-MRXNPFEDSA-N 0 3 426.539 -0.172 20 0 IBADHN COCCNS(=O)(=O)c1cccc(CNC(=O)C(=O)N2CC[C@H](N3CCCC3)C2)c1 ZINC000562130094 1072308423 /nfs/dbraw/zinc/30/84/23/1072308423.db2.gz MRVIEFHGIDBAGY-KRWDZBQOSA-N 0 3 438.550 -0.076 20 0 IBADHN COCCNS(=O)(=O)c1cccc(CNC(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)c1 ZINC000562130096 1072308398 /nfs/dbraw/zinc/30/83/98/1072308398.db2.gz MRVIEFHGIDBAGY-QGZVFWFLSA-N 0 3 438.550 -0.076 20 0 IBADHN CC(C)CN1CCN(C(=O)C(=O)NCCCCN2CCN(CCO)CC2)[C@H](C)C1=O ZINC000562141781 1072308874 /nfs/dbraw/zinc/30/88/74/1072308874.db2.gz FVCYDUXOMAXOMC-GOSISDBHSA-N 0 3 425.574 -0.792 20 0 IBADHN CC(C)CN1CCN(C(=O)C(=O)NCCCCN2CCN(CCO)CC2)[C@@H](C)C1=O ZINC000562141783 1072308930 /nfs/dbraw/zinc/30/89/30/1072308930.db2.gz FVCYDUXOMAXOMC-SFHVURJKSA-N 0 3 425.574 -0.792 20 0 IBADHN CN(C[C@@H]1COc2ccccc2O1)C(=O)C(=O)NCCCCN1CCN(CCO)CC1 ZINC000562143054 1072308891 /nfs/dbraw/zinc/30/88/91/1072308891.db2.gz UAEKQEPYBDVBEU-GOSISDBHSA-N 0 3 434.537 -0.209 20 0 IBADHN CN(C[C@H]1COc2ccccc2O1)C(=O)C(=O)NCCCCN1CCN(CCO)CC1 ZINC000562143057 1072308835 /nfs/dbraw/zinc/30/88/35/1072308835.db2.gz UAEKQEPYBDVBEU-SFHVURJKSA-N 0 3 434.537 -0.209 20 0 IBADHN O=C(NCCCCN1CCN(CCO)CC1)C(=O)N1CCN(C(=O)c2ccccc2)CC1 ZINC000562156404 1072309771 /nfs/dbraw/zinc/30/97/71/1072309771.db2.gz ITYABNIAWJELEI-UHFFFAOYSA-N 0 3 445.564 -0.523 20 0 IBADHN O=C(NCCCCN1CCN(CCO)CC1)C(=O)N1CCN(c2ccc(F)cn2)CC1 ZINC000562158098 1072309922 /nfs/dbraw/zinc/30/99/22/1072309922.db2.gz TYKZNLNWQMXTRW-UHFFFAOYSA-N 0 3 436.532 -0.624 20 0 IBADHN O=C(NCCCCN1CCN(CCO)CC1)C(=O)N1CCN(c2cccc(O)c2)CC1 ZINC000562160252 1072310370 /nfs/dbraw/zinc/31/03/70/1072310370.db2.gz HPKIFRSOAAUTHU-UHFFFAOYSA-N 0 3 433.553 -0.453 20 0 IBADHN O=C(NCCCCN1CCN(CCO)CC1)C(=O)N1CCO[C@@H](Cc2ccccc2)C1 ZINC000562161136 1072310460 /nfs/dbraw/zinc/31/04/60/1072310460.db2.gz PPAHOVFBFXLXOV-NRFANRHFSA-N 0 3 432.565 -0.037 20 0 IBADHN O=C(NCCCCN1CCN(CCO)CC1)C(=O)N1CCO[C@H](Cc2ccccc2)C1 ZINC000562161140 1072310424 /nfs/dbraw/zinc/31/04/24/1072310424.db2.gz PPAHOVFBFXLXOV-OAQYLSRUSA-N 0 3 432.565 -0.037 20 0 IBADHN C[C@H](N1CCN(C(=O)C(=O)NCCCCN2CCN(CCO)CC2)CC1)C(F)(F)F ZINC000562161668 1072310693 /nfs/dbraw/zinc/31/06/93/1072310693.db2.gz YHDHOKOFAXPHMY-INIZCTEOSA-N 0 3 437.507 -0.412 20 0 IBADHN C[C@@H](N1CCN(C(=O)C(=O)NCCCCN2CCN(CCO)CC2)CC1)C(F)(F)F ZINC000562161669 1072311105 /nfs/dbraw/zinc/31/11/05/1072311105.db2.gz YHDHOKOFAXPHMY-MRXNPFEDSA-N 0 3 437.507 -0.412 20 0 IBADHN CN(CCN1CCCC1)C(=O)C(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 ZINC000562163156 1072311020 /nfs/dbraw/zinc/31/10/20/1072311020.db2.gz ASSVNWWAIALFNT-GOSISDBHSA-N 0 3 445.568 -0.048 20 0 IBADHN CN(CCN1CCCC1)C(=O)C(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)ncn2)C1 ZINC000562163157 1072311587 /nfs/dbraw/zinc/31/15/87/1072311587.db2.gz ASSVNWWAIALFNT-SFHVURJKSA-N 0 3 445.568 -0.048 20 0 IBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1CCCN(S(=O)(=O)N(C)C)CC1 ZINC000562576890 1072315330 /nfs/dbraw/zinc/31/53/30/1072315330.db2.gz GJZHJKOEYAXFRS-INIZCTEOSA-N 0 3 432.591 -0.547 20 0 IBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N1CCCN(S(=O)(=O)N(C)C)CC1 ZINC000562576891 1072315301 /nfs/dbraw/zinc/31/53/01/1072315301.db2.gz GJZHJKOEYAXFRS-MRXNPFEDSA-N 0 3 432.591 -0.547 20 0 IBADHN CCCNC(=O)CN1CCC(NC(=O)C(=O)NC[C@@H]2CN(CC(C)C)CCO2)CC1 ZINC000562773510 1072318843 /nfs/dbraw/zinc/31/88/43/1072318843.db2.gz WMYFBTIHVNZREK-GOSISDBHSA-N 0 3 425.574 -0.434 20 0 IBADHN CCCNC(=O)CN1CCC(NC(=O)C(=O)NC[C@H]2CN(CC(C)C)CCO2)CC1 ZINC000562773514 1072318884 /nfs/dbraw/zinc/31/88/84/1072318884.db2.gz WMYFBTIHVNZREK-SFHVURJKSA-N 0 3 425.574 -0.434 20 0 IBADHN CCN1CCN(Cc2ccc(CNC(=O)C(=O)N3CC[C@@H](S(N)(=O)=O)C3)cc2)CC1 ZINC000562833954 1071223917 /nfs/dbraw/zinc/22/39/17/1071223917.db2.gz IIYCSLLYOWXZDA-GOSISDBHSA-N 0 3 437.566 -0.670 20 0 IBADHN CCN1CCN(Cc2ccc(CNC(=O)C(=O)N3CC[C@H](S(N)(=O)=O)C3)cc2)CC1 ZINC000562833960 1072321464 /nfs/dbraw/zinc/32/14/64/1072321464.db2.gz IIYCSLLYOWXZDA-SFHVURJKSA-N 0 3 437.566 -0.670 20 0 IBADHN CN(C)[C@]1(CNC(=O)C(=O)NCc2cccnc2N2CCC(C(N)=O)CC2)CCSC1 ZINC000562838059 1072321496 /nfs/dbraw/zinc/32/14/96/1072321496.db2.gz KTIMZMYYWPOZNA-NRFANRHFSA-N 0 3 448.593 -0.047 20 0 IBADHN CN(C)[C@@]1(CNC(=O)C(=O)NCc2cccnc2N2CCC(C(N)=O)CC2)CCSC1 ZINC000562838060 1072321558 /nfs/dbraw/zinc/32/15/58/1072321558.db2.gz KTIMZMYYWPOZNA-OAQYLSRUSA-N 0 3 448.593 -0.047 20 0 IBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)N1CCN(CC2CCOCC2)CC1 ZINC000562866382 1071224563 /nfs/dbraw/zinc/22/45/63/1071224563.db2.gz NOXMURRTPNRXCM-IBGZPJMESA-N 0 3 437.585 -0.384 20 0 IBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)N1CCN(CC2CCOCC2)CC1 ZINC000562866386 1072323497 /nfs/dbraw/zinc/32/34/97/1072323497.db2.gz NOXMURRTPNRXCM-LJQANCHMSA-N 0 3 437.585 -0.384 20 0 IBADHN O=C(NCCCCN1CCN(CCO)CC1)C(=O)N1CCNC(=O)C[C@H]1c1ccccc1 ZINC000562877830 1072324102 /nfs/dbraw/zinc/32/41/02/1072324102.db2.gz HEZPVHOTIHJLCF-FQEVSTJZSA-N 0 3 445.564 -0.418 20 0 IBADHN O=C(NCCCCN1CCN(CCO)CC1)C(=O)N1CCNC(=O)C[C@@H]1c1ccccc1 ZINC000562877837 1072324002 /nfs/dbraw/zinc/32/40/02/1072324002.db2.gz HEZPVHOTIHJLCF-HXUWFJFHSA-N 0 3 445.564 -0.418 20 0 IBADHN O=C(NCCNS(=O)(=O)Cc1ccon1)C(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000562896050 1072324498 /nfs/dbraw/zinc/32/44/98/1072324498.db2.gz XJDFXAKTQLGIEN-INIZCTEOSA-N 0 3 427.527 -0.313 20 0 IBADHN O=C(NCCNS(=O)(=O)Cc1ccon1)C(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000562896051 1072325299 /nfs/dbraw/zinc/32/52/99/1072325299.db2.gz XJDFXAKTQLGIEN-MRXNPFEDSA-N 0 3 427.527 -0.313 20 0 IBADHN Cc1nc(S(=O)(=O)NCCC(=O)NC2C[C@H]3CC[C@@H](C2)N3CC(=O)N(C)C)cn1C ZINC000563305662 1072327237 /nfs/dbraw/zinc/32/72/37/1072327237.db2.gz LWKMSRSHWIBHIO-MQVJKMGUSA-N 0 3 440.570 -0.403 20 0 IBADHN CCn1nccc1N1CCC[C@H](NC(=O)C(=O)N(C)CCCN2CCN(C)CC2)C1=O ZINC000563329174 1071088284 /nfs/dbraw/zinc/08/82/84/1071088284.db2.gz STPRLGSJQWCUKG-KRWDZBQOSA-N 0 3 433.557 -0.390 20 0 IBADHN CCn1nccc1N1CCC[C@@H](NC(=O)C(=O)N(C)CCCN2CCN(C)CC2)C1=O ZINC000563329175 1071088371 /nfs/dbraw/zinc/08/83/71/1071088371.db2.gz STPRLGSJQWCUKG-QGZVFWFLSA-N 0 3 433.557 -0.390 20 0 IBADHN CN(C)CCn1c2cc(NC(=O)C(=O)N3CC[C@@H](CS(C)(=O)=O)C3)ccc2oc1=O ZINC000563330734 1072327322 /nfs/dbraw/zinc/32/73/22/1072327322.db2.gz MGKCHPDUAWGZTK-CYBMUJFWSA-N 0 3 438.506 -0.012 20 0 IBADHN CN(C)CCn1c2cc(NC(=O)C(=O)N3CC[C@H](CS(C)(=O)=O)C3)ccc2oc1=O ZINC000563330740 1072327133 /nfs/dbraw/zinc/32/71/33/1072327133.db2.gz MGKCHPDUAWGZTK-ZDUSSCGKSA-N 0 3 438.506 -0.012 20 0 IBADHN N[C@H]1C[C@@H]2CN(C(=O)CSCCOc3ccc(S(N)(=O)=O)cc3)CCN2C1=O ZINC000563437710 1072327783 /nfs/dbraw/zinc/32/77/83/1072327783.db2.gz BQBMJUXSPWISEO-DOMZBBRYSA-N 0 3 428.536 -0.784 20 0 IBADHN N[C@@H]1C[C@@H]2CN(C(=O)CSCCOc3ccc(S(N)(=O)=O)cc3)CCN2C1=O ZINC000563437716 1072327683 /nfs/dbraw/zinc/32/76/83/1072327683.db2.gz BQBMJUXSPWISEO-IUODEOHRSA-N 0 3 428.536 -0.784 20 0 IBADHN N[C@@H]1C[C@H]2CN(C(=O)CSCCOc3ccc(S(N)(=O)=O)cc3)CCN2C1=O ZINC000563437717 1072327829 /nfs/dbraw/zinc/32/78/29/1072327829.db2.gz BQBMJUXSPWISEO-SWLSCSKDSA-N 0 3 428.536 -0.784 20 0 IBADHN N[C@H]1C[C@H]2CN(C(=O)CSCCOc3ccc(S(N)(=O)=O)cc3)CCN2C1=O ZINC000563438111 1071117370 /nfs/dbraw/zinc/11/73/70/1071117370.db2.gz BQBMJUXSPWISEO-WFASDCNBSA-N 0 3 428.536 -0.784 20 0 IBADHN CCCCN(C(=O)CN1CCN2C(=O)[C@@H](N)C[C@@H]2C1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000563443368 1072328161 /nfs/dbraw/zinc/32/81/61/1072328161.db2.gz WOKPWGXYUAQHGQ-CABCVRRESA-N 0 3 449.556 -0.436 20 0 IBADHN CCCCN(C(=O)CN1CCN2C(=O)[C@@H](N)C[C@H]2C1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000563443375 1072328314 /nfs/dbraw/zinc/32/83/14/1072328314.db2.gz WOKPWGXYUAQHGQ-GJZGRUSLSA-N 0 3 449.556 -0.436 20 0 IBADHN CCCCN(C(=O)CN1CCN2C(=O)[C@H](N)C[C@@H]2C1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000563443376 1072328294 /nfs/dbraw/zinc/32/82/94/1072328294.db2.gz WOKPWGXYUAQHGQ-HUUCEWRRSA-N 0 3 449.556 -0.436 20 0 IBADHN CCCCN(C(=O)CN1CCN2C(=O)[C@H](N)C[C@H]2C1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O ZINC000563443377 1072328135 /nfs/dbraw/zinc/32/81/35/1072328135.db2.gz WOKPWGXYUAQHGQ-LSDHHAIUSA-N 0 3 449.556 -0.436 20 0 IBADHN COCC(=O)Nc1cccc(CNC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)c1 ZINC000563463932 1072328246 /nfs/dbraw/zinc/32/82/46/1072328246.db2.gz XKQIBMZJLWBNMK-UHFFFAOYSA-N 0 3 445.520 -0.346 20 0 IBADHN CC(C)C[C@H](CNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1)N1CCOCC1 ZINC000563513080 1072330001 /nfs/dbraw/zinc/33/00/01/1072330001.db2.gz RVCIVRLARZXWCT-MOPGFXCFSA-N 0 3 437.585 -0.386 20 0 IBADHN CC(C)C[C@@H](CNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1)N1CCOCC1 ZINC000563513081 1072330119 /nfs/dbraw/zinc/33/01/19/1072330119.db2.gz RVCIVRLARZXWCT-OALUTQOASA-N 0 3 437.585 -0.386 20 0 IBADHN CC(C)C[C@@H](CNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1)N1CCOCC1 ZINC000563513082 1072330056 /nfs/dbraw/zinc/33/00/56/1072330056.db2.gz RVCIVRLARZXWCT-RBUKOAKNSA-N 0 3 437.585 -0.386 20 0 IBADHN CC(C)C[C@H](CNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1)N1CCOCC1 ZINC000563513083 1072329941 /nfs/dbraw/zinc/32/99/41/1072329941.db2.gz RVCIVRLARZXWCT-RTBURBONSA-N 0 3 437.585 -0.386 20 0 IBADHN O=C(NCCCN1CCN(c2ncccn2)CC1)C(=O)N1CCN(C[C@@H]2CCOC2)CC1 ZINC000563553251 1072330604 /nfs/dbraw/zinc/33/06/04/1072330604.db2.gz RBPKFQZCJSGUOA-IBGZPJMESA-N 0 3 445.568 -0.714 20 0 IBADHN O=C(NCCCN1CCN(c2ncccn2)CC1)C(=O)N1CCN(C[C@H]2CCOC2)CC1 ZINC000563553252 1072330719 /nfs/dbraw/zinc/33/07/19/1072330719.db2.gz RBPKFQZCJSGUOA-LJQANCHMSA-N 0 3 445.568 -0.714 20 0 IBADHN CN1CCN(c2ncccc2CNC(=O)C(=O)N2CCN(C[C@H]3CCOC3)CC2)CC1 ZINC000563557855 1072330589 /nfs/dbraw/zinc/33/05/89/1072330589.db2.gz VQEQYUUPZQOFLU-GOSISDBHSA-N 0 3 430.553 -0.370 20 0 IBADHN CN1CCN(c2ncccc2CNC(=O)C(=O)N2CCN(C[C@@H]3CCOC3)CC2)CC1 ZINC000563557856 1072330528 /nfs/dbraw/zinc/33/05/28/1072330528.db2.gz VQEQYUUPZQOFLU-SFHVURJKSA-N 0 3 430.553 -0.370 20 0 IBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NC[C@@H]1CCCCN1S(=O)(=O)N(C)C ZINC000563766619 1072334517 /nfs/dbraw/zinc/33/45/17/1072334517.db2.gz ONNRTTRQYJOVTB-DLBZAZTESA-N 0 3 446.618 -0.111 20 0 IBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NC[C@H]1CCCCN1S(=O)(=O)N(C)C ZINC000563766620 1072334470 /nfs/dbraw/zinc/33/44/70/1072334470.db2.gz ONNRTTRQYJOVTB-IAGOWNOFSA-N 0 3 446.618 -0.111 20 0 IBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NC[C@@H]1CCCCN1S(=O)(=O)N(C)C ZINC000563766621 1072334224 /nfs/dbraw/zinc/33/42/24/1072334224.db2.gz ONNRTTRQYJOVTB-IRXDYDNUSA-N 0 3 446.618 -0.111 20 0 IBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NC[C@H]1CCCCN1S(=O)(=O)N(C)C ZINC000563766623 1072334332 /nfs/dbraw/zinc/33/43/32/1072334332.db2.gz ONNRTTRQYJOVTB-SJORKVTESA-N 0 3 446.618 -0.111 20 0 IBADHN CC(=O)N1CCN(c2ccccc2CNc2nc(NCCO)nc(NC(C)C)n2)CC1 ZINC000563924202 1072336629 /nfs/dbraw/zinc/33/66/29/1072336629.db2.gz ZCTATZDMDIQKFZ-UHFFFAOYSA-N 0 3 428.541 -0.358 20 0 IBADHN COC1CCN(C(C)(C)CNC(=O)C(=O)N[C@H]2CCN(c3cc(C)nn3C)C2=O)CC1 ZINC000564016366 1072339157 /nfs/dbraw/zinc/33/91/57/1072339157.db2.gz VDTZSURHARCGJE-INIZCTEOSA-N 0 3 434.541 -0.044 20 0 IBADHN COC1CCN(C(C)(C)CNC(=O)C(=O)N[C@@H]2CCN(c3cc(C)nn3C)C2=O)CC1 ZINC000564016367 1072339264 /nfs/dbraw/zinc/33/92/64/1072339264.db2.gz VDTZSURHARCGJE-MRXNPFEDSA-N 0 3 434.541 -0.044 20 0 IBADHN O=C(CN1CCCC1)N1CCN(C(=O)C(=O)N[C@H]2CCN(c3ncccc3F)C2)CC1 ZINC000564037265 1072340136 /nfs/dbraw/zinc/34/01/36/1072340136.db2.gz CYFRRZJGMNZDKG-INIZCTEOSA-N 0 3 432.500 -0.318 20 0 IBADHN O=C(CN1CCCC1)N1CCN(C(=O)C(=O)N[C@@H]2CCN(c3ncccc3F)C2)CC1 ZINC000564037270 1072340350 /nfs/dbraw/zinc/34/03/50/1072340350.db2.gz CYFRRZJGMNZDKG-MRXNPFEDSA-N 0 3 432.500 -0.318 20 0 IBADHN CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)NC[C@]2(O)CN3CCC2CC3)cc1 ZINC000564056748 1072340212 /nfs/dbraw/zinc/34/02/12/1072340212.db2.gz BCADNLAJGWEOAU-IBGZPJMESA-N 0 3 425.507 -0.286 20 0 IBADHN CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)NC[C@@]2(O)CN3CCC2CC3)cc1 ZINC000564056750 1072340229 /nfs/dbraw/zinc/34/02/29/1072340229.db2.gz BCADNLAJGWEOAU-LJQANCHMSA-N 0 3 425.507 -0.286 20 0 IBADHN C[C@@H](CNC(=O)C(=O)N1CCN(c2ncnc3c2cnn3C)CC1)CN1CCN(C)CC1 ZINC000564109328 1072342188 /nfs/dbraw/zinc/34/21/88/1072342188.db2.gz ZZMJEYLOPPGFIZ-INIZCTEOSA-N 0 3 443.556 -0.988 20 0 IBADHN C[C@H](CNC(=O)C(=O)N1CCN(c2ncnc3c2cnn3C)CC1)CN1CCN(C)CC1 ZINC000564109339 1072342128 /nfs/dbraw/zinc/34/21/28/1072342128.db2.gz ZZMJEYLOPPGFIZ-MRXNPFEDSA-N 0 3 443.556 -0.988 20 0 IBADHN CC(C)N1C(=O)CN(C(=O)C(=O)NCCCCN2CCN(CCO)CC2)CC1(C)C ZINC000564112862 1072342287 /nfs/dbraw/zinc/34/22/87/1072342287.db2.gz CENMPNJCTNOZOV-UHFFFAOYSA-N 0 3 425.574 -0.650 20 0 IBADHN CN(C[C@H](O)CN1CCOCC1)C(=O)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000564180215 1072345294 /nfs/dbraw/zinc/34/52/94/1072345294.db2.gz NSUPCJUKHYGUSW-LEWJYISDSA-N 0 3 448.564 -0.455 20 0 IBADHN CN(C[C@@H](O)CN1CCOCC1)C(=O)C(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000564180217 1072345186 /nfs/dbraw/zinc/34/51/86/1072345186.db2.gz NSUPCJUKHYGUSW-NHCUHLMSSA-N 0 3 448.564 -0.455 20 0 IBADHN CN(C[C@@H](O)CN1CCOCC1)C(=O)C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000564180218 1072345034 /nfs/dbraw/zinc/34/50/34/1072345034.db2.gz NSUPCJUKHYGUSW-RTWAWAEBSA-N 0 3 448.564 -0.455 20 0 IBADHN CN(C[C@H](O)CN1CCOCC1)C(=O)C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000564180220 1072345122 /nfs/dbraw/zinc/34/51/22/1072345122.db2.gz NSUPCJUKHYGUSW-SFTDATJTSA-N 0 3 448.564 -0.455 20 0 IBADHN C[C@@H](c1cccnc1)N1CCN(C(=O)C(=O)NCCCCN2CCN(CCO)CC2)CC1 ZINC000564674210 1072354936 /nfs/dbraw/zinc/35/49/36/1072354936.db2.gz AGWLTAQGLIWQGL-FQEVSTJZSA-N 0 3 446.596 -0.207 20 0 IBADHN C[C@H](c1cccnc1)N1CCN(C(=O)C(=O)NCCCCN2CCN(CCO)CC2)CC1 ZINC000564674211 1072354838 /nfs/dbraw/zinc/35/48/38/1072354838.db2.gz AGWLTAQGLIWQGL-HXUWFJFHSA-N 0 3 446.596 -0.207 20 0 IBADHN COc1ccc(CC(=O)N2C[C@H](O)[C@@H](N(C)C)C2)cc1S(=O)(=O)N1CCOCC1 ZINC000564758505 1072355777 /nfs/dbraw/zinc/35/57/77/1072355777.db2.gz MDLVWPLJCUBACD-HOTGVXAUSA-N 0 3 427.523 -0.608 20 0 IBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCc2ccc(S(C)(=O)=O)s2)CC1 ZINC000565067254 1072356692 /nfs/dbraw/zinc/35/66/92/1072356692.db2.gz MAMWTPDSMJTCCW-AWEZNQCLSA-N 0 3 442.563 -0.467 20 0 IBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCc2ccc(S(C)(=O)=O)s2)CC1 ZINC000565067255 1072356717 /nfs/dbraw/zinc/35/67/17/1072356717.db2.gz MAMWTPDSMJTCCW-CQSZACIVSA-N 0 3 442.563 -0.467 20 0 IBADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)NC[C@]2(N3CCOCC3)CCSC2)CC1 ZINC000565092157 1072357282 /nfs/dbraw/zinc/35/72/82/1072357282.db2.gz JBUMRZTWSCXVEH-GHTZIAJQSA-N 0 3 441.642 -0.300 20 0 IBADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)NC[C@@]2(N3CCOCC3)CCSC2)CC1 ZINC000565092170 1072357246 /nfs/dbraw/zinc/35/72/46/1072357246.db2.gz JBUMRZTWSCXVEH-NQIIRXRSSA-N 0 3 441.642 -0.300 20 0 IBADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)NC[C@@]2(N3CCOCC3)CCSC2)CC1 ZINC000565092172 1072357460 /nfs/dbraw/zinc/35/74/60/1072357460.db2.gz JBUMRZTWSCXVEH-RXVVDRJESA-N 0 3 441.642 -0.300 20 0 IBADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)NC[C@]2(N3CCOCC3)CCSC2)CC1 ZINC000565092175 1072357374 /nfs/dbraw/zinc/35/73/74/1072357374.db2.gz JBUMRZTWSCXVEH-WIYYLYMNSA-N 0 3 441.642 -0.300 20 0 IBADHN N[C@@H]1C[C@H]2CN(C(=O)CCNS(=O)(=O)c3ccc4c(c3)OCCCO4)CCN2C1=O ZINC000565238347 1072358363 /nfs/dbraw/zinc/35/83/63/1072358363.db2.gz HBHWWKUCRJZQMO-DZGCQCFKSA-N 0 3 438.506 -0.713 20 0 IBADHN N[C@H]1C[C@@H]2CN(C(=O)CCNS(=O)(=O)c3ccc4c(c3)OCCCO4)CCN2C1=O ZINC000565238348 1072359138 /nfs/dbraw/zinc/35/91/38/1072359138.db2.gz HBHWWKUCRJZQMO-HIFRSBDPSA-N 0 3 438.506 -0.713 20 0 IBADHN N[C@@H]1C[C@@H]2CN(C(=O)CCNS(=O)(=O)c3ccc4c(c3)OCCCO4)CCN2C1=O ZINC000565238349 1072358940 /nfs/dbraw/zinc/35/89/40/1072358940.db2.gz HBHWWKUCRJZQMO-UKRRQHHQSA-N 0 3 438.506 -0.713 20 0 IBADHN N[C@H]1C[C@H]2CN(C(=O)CCNS(=O)(=O)c3ccc4c(c3)OCCCO4)CCN2C1=O ZINC000565238350 1072359163 /nfs/dbraw/zinc/35/91/63/1072359163.db2.gz HBHWWKUCRJZQMO-ZFWWWQNUSA-N 0 3 438.506 -0.713 20 0 IBADHN N[C@H]1C[C@@H]2CN(CC(=O)NCc3ccccc3S(=O)(=O)N3CCCCC3)CCN2C1=O ZINC000565240278 1072359091 /nfs/dbraw/zinc/35/90/91/1072359091.db2.gz ULXLRPYPBAALFX-MSOLQXFVSA-N 0 3 449.577 -0.279 20 0 IBADHN N[C@@H]1C[C@@H]2CN(CC(=O)NCc3ccccc3S(=O)(=O)N3CCCCC3)CCN2C1=O ZINC000565240279 1072359152 /nfs/dbraw/zinc/35/91/52/1072359152.db2.gz ULXLRPYPBAALFX-QZTJIDSGSA-N 0 3 449.577 -0.279 20 0 IBADHN N[C@H]1C[C@H]2CN(CC(=O)NCc3ccccc3S(=O)(=O)N3CCCCC3)CCN2C1=O ZINC000565240280 1072358911 /nfs/dbraw/zinc/35/89/11/1072358911.db2.gz ULXLRPYPBAALFX-ROUUACIJSA-N 0 3 449.577 -0.279 20 0 IBADHN N[C@@H]1C[C@H]2CN(CC(=O)NCc3ccccc3S(=O)(=O)N3CCCCC3)CCN2C1=O ZINC000565240281 1072359019 /nfs/dbraw/zinc/35/90/19/1072359019.db2.gz ULXLRPYPBAALFX-ZWKOTPCHSA-N 0 3 449.577 -0.279 20 0 IBADHN C[C@@H](CN1CCCCC1)NC(=O)C(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000565319169 1072360243 /nfs/dbraw/zinc/36/02/43/1072360243.db2.gz RNJZQYQHLZQERC-DLBZAZTESA-N 0 3 430.571 -0.370 20 0 IBADHN C[C@H](CN1CCCCC1)NC(=O)C(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000565319175 1072360150 /nfs/dbraw/zinc/36/01/50/1072360150.db2.gz RNJZQYQHLZQERC-IAGOWNOFSA-N 0 3 430.571 -0.370 20 0 IBADHN C[C@@H](CN1CCCCC1)NC(=O)C(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000565319176 1072360198 /nfs/dbraw/zinc/36/01/98/1072360198.db2.gz RNJZQYQHLZQERC-IRXDYDNUSA-N 0 3 430.571 -0.370 20 0 IBADHN C[C@H](CN1CCCCC1)NC(=O)C(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000565319177 1072360082 /nfs/dbraw/zinc/36/00/82/1072360082.db2.gz RNJZQYQHLZQERC-SJORKVTESA-N 0 3 430.571 -0.370 20 0 IBADHN COc1cnccc1N1CCN(C(=O)C(=O)NCCCn2nc3n(c2=O)CCCC3)CC1 ZINC000565437507 1072361961 /nfs/dbraw/zinc/36/19/61/1072361961.db2.gz SQGBFEZRZCEYEW-UHFFFAOYSA-N 0 3 443.508 -0.360 20 0 IBADHN Cc1ccc(NC(=O)CN2C[C@H](O)[C@@H](N(C)C)C2)cc1S(=O)(=O)N1CCOCC1 ZINC000565578004 1072364591 /nfs/dbraw/zinc/36/45/91/1072364591.db2.gz RYSMUSQTGSKMIJ-IRXDYDNUSA-N 0 3 426.539 -0.439 20 0 IBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 ZINC000565649707 1072366055 /nfs/dbraw/zinc/36/60/55/1072366055.db2.gz UWGJUWHOWFJEGR-INIZCTEOSA-N 0 3 435.529 -0.194 20 0 IBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 ZINC000565649712 1072366381 /nfs/dbraw/zinc/36/63/81/1072366381.db2.gz UWGJUWHOWFJEGR-MRXNPFEDSA-N 0 3 435.529 -0.194 20 0 IBADHN CC(C)N1CCN([C@H]2CCN(C(=O)C(=O)NCC(=O)N(C)CCc3ccccn3)C2)CC1 ZINC000565674243 1072366252 /nfs/dbraw/zinc/36/62/52/1072366252.db2.gz ILEGKYNDZAQKJD-FQEVSTJZSA-N 0 3 444.580 -0.174 20 0 IBADHN CC(C)N1CCN([C@@H]2CCN(C(=O)C(=O)NCC(=O)N(C)CCc3ccccn3)C2)CC1 ZINC000565674266 1072366338 /nfs/dbraw/zinc/36/63/38/1072366338.db2.gz ILEGKYNDZAQKJD-HXUWFJFHSA-N 0 3 444.580 -0.174 20 0 IBADHN Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CCN4C(=O)[C@@H](N)C[C@H]4C3)CC2)cc1C ZINC000565727246 1072366847 /nfs/dbraw/zinc/36/68/47/1072366847.db2.gz FIRSTLILXVNEJB-HKUYNNGSSA-N 0 3 449.577 -0.620 20 0 IBADHN Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CCN4C(=O)[C@H](N)C[C@@H]4C3)CC2)cc1C ZINC000565727247 1072366935 /nfs/dbraw/zinc/36/69/35/1072366935.db2.gz FIRSTLILXVNEJB-IEBWSBKVSA-N 0 3 449.577 -0.620 20 0 IBADHN Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CCN4C(=O)[C@@H](N)C[C@@H]4C3)CC2)cc1C ZINC000565727248 1072366737 /nfs/dbraw/zinc/36/67/37/1072366737.db2.gz FIRSTLILXVNEJB-MJGOQNOKSA-N 0 3 449.577 -0.620 20 0 IBADHN Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN3CCN4C(=O)[C@H](N)C[C@H]4C3)CC2)cc1C ZINC000565727249 1072367384 /nfs/dbraw/zinc/36/73/84/1072367384.db2.gz FIRSTLILXVNEJB-PKOBYXMFSA-N 0 3 449.577 -0.620 20 0 IBADHN CC(C)OCCS(=O)(=O)N1CCN(C(=O)C(=O)N[C@@H](C)C2=CCN(C)CC2)CC1 ZINC000565801110 1072368458 /nfs/dbraw/zinc/36/84/58/1072368458.db2.gz LLHRVQUHYQZAFO-INIZCTEOSA-N 0 3 430.571 -0.348 20 0 IBADHN CC(C)OCCS(=O)(=O)N1CCN(C(=O)C(=O)N[C@H](C)C2=CCN(C)CC2)CC1 ZINC000565801115 1072368396 /nfs/dbraw/zinc/36/83/96/1072368396.db2.gz LLHRVQUHYQZAFO-MRXNPFEDSA-N 0 3 430.571 -0.348 20 0 IBADHN CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2C[C@H](O)[C@@H](N(C)C)C2)o1 ZINC000565802389 1072368582 /nfs/dbraw/zinc/36/85/82/1072368582.db2.gz XVKVJSGGHGLGFG-IHRRRGAJSA-N 0 3 429.495 -0.257 20 0 IBADHN CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2C[C@H](O)[C@@H](N(C)C)C2)o1 ZINC000565802398 1072368497 /nfs/dbraw/zinc/36/84/97/1072368497.db2.gz XVKVJSGGHGLGFG-RDBSUJKOSA-N 0 3 429.495 -0.257 20 0 IBADHN NC(=O)[C@@H]1CN(C(=O)C(=O)NCCCCN2CCN(Cc3ccccc3)CC2)CCO1 ZINC000566345531 1072372893 /nfs/dbraw/zinc/37/28/93/1072372893.db2.gz BEJBMZMGTRCFJE-IBGZPJMESA-N 0 3 431.537 -0.587 20 0 IBADHN NC(=O)[C@H]1CN(C(=O)C(=O)NCCCCN2CCN(Cc3ccccc3)CC2)CCO1 ZINC000566345533 1072373035 /nfs/dbraw/zinc/37/30/35/1072373035.db2.gz BEJBMZMGTRCFJE-LJQANCHMSA-N 0 3 431.537 -0.587 20 0 IBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)N(C)CCN1CCOC(C)(C)C1 ZINC000566397553 1072374111 /nfs/dbraw/zinc/37/41/11/1072374111.db2.gz DAVWSJFDWYHJQD-KRWDZBQOSA-N 0 3 425.574 -0.386 20 0 IBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)N(C)CCN1CCOC(C)(C)C1 ZINC000566397559 1072374178 /nfs/dbraw/zinc/37/41/78/1072374178.db2.gz DAVWSJFDWYHJQD-QGZVFWFLSA-N 0 3 425.574 -0.386 20 0 IBADHN Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)C1 ZINC000566495418 1072374660 /nfs/dbraw/zinc/37/46/60/1072374660.db2.gz FXFYXMHNHLQIHY-KKUMJFAQSA-N 0 3 425.511 -0.537 20 0 IBADHN Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)C1 ZINC000566495420 1072374956 /nfs/dbraw/zinc/37/49/56/1072374956.db2.gz FXFYXMHNHLQIHY-RRFJBIMHSA-N 0 3 425.511 -0.537 20 0 IBADHN Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)C1 ZINC000566495421 1072374567 /nfs/dbraw/zinc/37/45/67/1072374567.db2.gz FXFYXMHNHLQIHY-SOUVJXGZSA-N 0 3 425.511 -0.537 20 0 IBADHN Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)C1 ZINC000566495422 1072374799 /nfs/dbraw/zinc/37/47/99/1072374799.db2.gz FXFYXMHNHLQIHY-ZNMIVQPWSA-N 0 3 425.511 -0.537 20 0 IBADHN CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cc1 ZINC000566496028 1072374776 /nfs/dbraw/zinc/37/47/76/1072374776.db2.gz NTOGLHFZSAIWDS-BBRMVZONSA-N 0 3 430.552 -0.350 20 0 IBADHN CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cc1 ZINC000566496029 1072374753 /nfs/dbraw/zinc/37/47/53/1072374753.db2.gz NTOGLHFZSAIWDS-CJNGLKHVSA-N 0 3 430.552 -0.350 20 0 IBADHN CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cc1 ZINC000566496030 1072374941 /nfs/dbraw/zinc/37/49/41/1072374941.db2.gz NTOGLHFZSAIWDS-CZUORRHYSA-N 0 3 430.552 -0.350 20 0 IBADHN CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cc1 ZINC000566496031 1072374618 /nfs/dbraw/zinc/37/46/18/1072374618.db2.gz NTOGLHFZSAIWDS-XJKSGUPXSA-N 0 3 430.552 -0.350 20 0 IBADHN N[C@H]1C[C@@H]2CN(S(=O)(=O)c3cc4[nH]c(=O)[nH]c4cc3Br)CCN2C1=O ZINC000566496606 1072374891 /nfs/dbraw/zinc/37/48/91/1072374891.db2.gz SMSVLMGZAJVBSO-APPZFPTMSA-N 0 3 430.284 -0.037 20 0 IBADHN N[C@H]1C[C@H]2CN(S(=O)(=O)c3cc4[nH]c(=O)[nH]c4cc3Br)CCN2C1=O ZINC000566496615 1072374863 /nfs/dbraw/zinc/37/48/63/1072374863.db2.gz SMSVLMGZAJVBSO-CBAPKCEASA-N 0 3 430.284 -0.037 20 0 IBADHN N[C@@H]1C[C@H]2CN(S(=O)(=O)c3cc4[nH]c(=O)[nH]c4cc3Br)CCN2C1=O ZINC000566496617 1072374691 /nfs/dbraw/zinc/37/46/91/1072374691.db2.gz SMSVLMGZAJVBSO-IONNQARKSA-N 0 3 430.284 -0.037 20 0 IBADHN N[C@@H]1C[C@@H]2CN(S(=O)(=O)c3cc4[nH]c(=O)[nH]c4cc3Br)CCN2C1=O ZINC000566496619 1072374922 /nfs/dbraw/zinc/37/49/22/1072374922.db2.gz SMSVLMGZAJVBSO-VXNVDRBHSA-N 0 3 430.284 -0.037 20 0 IBADHN N[C@H]1C[C@H]2CN(C(=O)CNS(=O)(=O)c3ccc(OC(F)(F)F)cc3)CCN2C1=O ZINC000566497037 1072374711 /nfs/dbraw/zinc/37/47/11/1072374711.db2.gz WRWFRKMYIPIAJQ-GWCFXTLKSA-N 0 3 436.412 -0.366 20 0 IBADHN N[C@@H]1C[C@H]2CN(C(=O)CNS(=O)(=O)c3ccc(OC(F)(F)F)cc3)CCN2C1=O ZINC000566497038 1072374634 /nfs/dbraw/zinc/37/46/34/1072374634.db2.gz WRWFRKMYIPIAJQ-GXFFZTMASA-N 0 3 436.412 -0.366 20 0 IBADHN N[C@H]1C[C@@H]2CN(C(=O)CNS(=O)(=O)c3ccc(OC(F)(F)F)cc3)CCN2C1=O ZINC000566497040 1072374733 /nfs/dbraw/zinc/37/47/33/1072374733.db2.gz WRWFRKMYIPIAJQ-MFKMUULPSA-N 0 3 436.412 -0.366 20 0 IBADHN N[C@@H]1C[C@@H]2CN(C(=O)CNS(=O)(=O)c3ccc(OC(F)(F)F)cc3)CCN2C1=O ZINC000566497041 1072374596 /nfs/dbraw/zinc/37/45/96/1072374596.db2.gz WRWFRKMYIPIAJQ-ZWNOBZJWSA-N 0 3 436.412 -0.366 20 0 IBADHN COCCN(C)CCN1C[C@@H](NC(=O)c2nc(S(C)(=O)=O)n3ccccc23)CC1=O ZINC000566518624 1072375363 /nfs/dbraw/zinc/37/53/63/1072375363.db2.gz QERBQIGPJNAUTK-AWEZNQCLSA-N 0 3 437.522 -0.353 20 0 IBADHN COCCN(C)CCN1C[C@H](NC(=O)c2nc(S(C)(=O)=O)n3ccccc23)CC1=O ZINC000566518625 1072375426 /nfs/dbraw/zinc/37/54/26/1072375426.db2.gz QERBQIGPJNAUTK-CQSZACIVSA-N 0 3 437.522 -0.353 20 0 IBADHN COCCN1CC[C@H](NC(=O)C(=O)NCC2CCN(CC(=O)NC(C)(C)C)CC2)C1 ZINC000566696099 1072377989 /nfs/dbraw/zinc/37/79/89/1072377989.db2.gz LQKKIJFRGVMTIV-KRWDZBQOSA-N 0 3 425.574 -0.434 20 0 IBADHN COCCN1CC[C@@H](NC(=O)C(=O)NCC2CCN(CC(=O)NC(C)(C)C)CC2)C1 ZINC000566696103 1072377957 /nfs/dbraw/zinc/37/79/57/1072377957.db2.gz LQKKIJFRGVMTIV-QGZVFWFLSA-N 0 3 425.574 -0.434 20 0 IBADHN CCc1ccc(C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cc1S(=O)(=O)N1CCOCC1 ZINC000566748519 1072378468 /nfs/dbraw/zinc/37/84/68/1072378468.db2.gz LVCDFOUUWXLZSX-DLBZAZTESA-N 0 3 436.534 -0.346 20 0 IBADHN CCc1ccc(C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cc1S(=O)(=O)N1CCOCC1 ZINC000566748522 1072378574 /nfs/dbraw/zinc/37/85/74/1072378574.db2.gz LVCDFOUUWXLZSX-IAGOWNOFSA-N 0 3 436.534 -0.346 20 0 IBADHN CCc1ccc(C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cc1S(=O)(=O)N1CCOCC1 ZINC000566748523 1072378455 /nfs/dbraw/zinc/37/84/55/1072378455.db2.gz LVCDFOUUWXLZSX-IRXDYDNUSA-N 0 3 436.534 -0.346 20 0 IBADHN CCc1ccc(C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cc1S(=O)(=O)N1CCOCC1 ZINC000566748525 1072378487 /nfs/dbraw/zinc/37/84/87/1072378487.db2.gz LVCDFOUUWXLZSX-SJORKVTESA-N 0 3 436.534 -0.346 20 0 IBADHN CCOc1ccc(S(=O)(=O)NCC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cc1OCC ZINC000566807946 1072379539 /nfs/dbraw/zinc/37/95/39/1072379539.db2.gz JMZOZPJMXBXQCX-DZGCQCFKSA-N 0 3 440.522 -0.467 20 0 IBADHN CCOc1ccc(S(=O)(=O)NCC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cc1OCC ZINC000566807952 1072379750 /nfs/dbraw/zinc/37/97/50/1072379750.db2.gz JMZOZPJMXBXQCX-HIFRSBDPSA-N 0 3 440.522 -0.467 20 0 IBADHN CCOc1ccc(S(=O)(=O)NCC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cc1OCC ZINC000566807954 1072379612 /nfs/dbraw/zinc/37/96/12/1072379612.db2.gz JMZOZPJMXBXQCX-UKRRQHHQSA-N 0 3 440.522 -0.467 20 0 IBADHN CCOc1ccc(S(=O)(=O)NCC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cc1OCC ZINC000566807956 1072379659 /nfs/dbraw/zinc/37/96/59/1072379659.db2.gz JMZOZPJMXBXQCX-ZFWWWQNUSA-N 0 3 440.522 -0.467 20 0 IBADHN CCCn1c2ccc(S(N)(=O)=O)cc2nc1CCC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000566808181 1072379768 /nfs/dbraw/zinc/37/97/68/1072379768.db2.gz MEHKIULKNRUXTD-DZGCQCFKSA-N 0 3 448.549 -0.203 20 0 IBADHN CCCn1c2ccc(S(N)(=O)=O)cc2nc1CCC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000566808182 1072379646 /nfs/dbraw/zinc/37/96/46/1072379646.db2.gz MEHKIULKNRUXTD-HIFRSBDPSA-N 0 3 448.549 -0.203 20 0 IBADHN CCCn1c2ccc(S(N)(=O)=O)cc2nc1CCC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000566808183 1072379791 /nfs/dbraw/zinc/37/97/91/1072379791.db2.gz MEHKIULKNRUXTD-UKRRQHHQSA-N 0 3 448.549 -0.203 20 0 IBADHN CCCn1c2ccc(S(N)(=O)=O)cc2nc1CCC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000566808184 1072379595 /nfs/dbraw/zinc/37/95/95/1072379595.db2.gz MEHKIULKNRUXTD-ZFWWWQNUSA-N 0 3 448.549 -0.203 20 0 IBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)N1CCC[C@H](CN2CCOCC2)C1 ZINC000566813624 1072380175 /nfs/dbraw/zinc/38/01/75/1072380175.db2.gz XMYBHPFLDWZRPS-MOPGFXCFSA-N 0 3 437.585 -0.384 20 0 IBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)N1CCC[C@H](CN2CCOCC2)C1 ZINC000566813625 1072380348 /nfs/dbraw/zinc/38/03/48/1072380348.db2.gz XMYBHPFLDWZRPS-RTBURBONSA-N 0 3 437.585 -0.384 20 0 IBADHN CCN1CCN([C@H]2CCN(C(=O)C(=O)NC[C@H]3CCCN3c3cc(NC)ncn3)C2)CC1 ZINC000566814425 1072380232 /nfs/dbraw/zinc/38/02/32/1072380232.db2.gz MDZGPGOMJYTPOI-MSOLQXFVSA-N 0 3 444.584 -0.158 20 0 IBADHN CCN1CCN([C@@H]2CCN(C(=O)C(=O)NC[C@H]3CCCN3c3cc(NC)ncn3)C2)CC1 ZINC000566814426 1072380282 /nfs/dbraw/zinc/38/02/82/1072380282.db2.gz MDZGPGOMJYTPOI-QZTJIDSGSA-N 0 3 444.584 -0.158 20 0 IBADHN CCN1CCN([C@H]2CCN(C(=O)C(=O)NC[C@@H]3CCCN3c3cc(NC)ncn3)C2)CC1 ZINC000566814427 1072380297 /nfs/dbraw/zinc/38/02/97/1072380297.db2.gz MDZGPGOMJYTPOI-ROUUACIJSA-N 0 3 444.584 -0.158 20 0 IBADHN CCN1CCN([C@@H]2CCN(C(=O)C(=O)NC[C@@H]3CCCN3c3cc(NC)ncn3)C2)CC1 ZINC000566814428 1072380217 /nfs/dbraw/zinc/38/02/17/1072380217.db2.gz MDZGPGOMJYTPOI-ZWKOTPCHSA-N 0 3 444.584 -0.158 20 0 IBADHN O=C(NC[C@@H](O)CN1CCc2ccccc2C1)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000566816096 1072380199 /nfs/dbraw/zinc/38/01/99/1072380199.db2.gz UAYXJZHXQWFAOU-CEXWTWQISA-N 0 3 435.546 -0.443 20 0 IBADHN O=C(NC[C@@H](O)CN1CCc2ccccc2C1)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1 ZINC000566816097 1072380127 /nfs/dbraw/zinc/38/01/27/1072380127.db2.gz UAYXJZHXQWFAOU-GBESFXJTSA-N 0 3 435.546 -0.443 20 0 IBADHN O=C(NC[C@@H](O)CN1CCc2ccccc2C1)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000566816098 1072380878 /nfs/dbraw/zinc/38/08/78/1072380878.db2.gz UAYXJZHXQWFAOU-GUDVDZBRSA-N 0 3 435.546 -0.443 20 0 IBADHN O=C(NC[C@@H](O)CN1CCc2ccccc2C1)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1 ZINC000566816099 1072380956 /nfs/dbraw/zinc/38/09/56/1072380956.db2.gz UAYXJZHXQWFAOU-IPMKNSEASA-N 0 3 435.546 -0.443 20 0 IBADHN COCCCNC(=O)[C@@H](C)N1CCN(C(=O)C(=O)NC[C@@H]2N(C)CCCC2(C)C)CC1 ZINC000566942941 1072383099 /nfs/dbraw/zinc/38/30/99/1072383099.db2.gz UYXPTURAPKRQQO-MSOLQXFVSA-N 0 3 439.601 -0.092 20 0 IBADHN COCCCNC(=O)[C@@H](C)N1CCN(C(=O)C(=O)NC[C@H]2N(C)CCCC2(C)C)CC1 ZINC000566942942 1072383172 /nfs/dbraw/zinc/38/31/72/1072383172.db2.gz UYXPTURAPKRQQO-QZTJIDSGSA-N 0 3 439.601 -0.092 20 0 IBADHN COCCCNC(=O)[C@H](C)N1CCN(C(=O)C(=O)NC[C@@H]2N(C)CCCC2(C)C)CC1 ZINC000566942943 1072382858 /nfs/dbraw/zinc/38/28/58/1072382858.db2.gz UYXPTURAPKRQQO-ROUUACIJSA-N 0 3 439.601 -0.092 20 0 IBADHN COCCCNC(=O)[C@H](C)N1CCN(C(=O)C(=O)NC[C@H]2N(C)CCCC2(C)C)CC1 ZINC000566942944 1072383075 /nfs/dbraw/zinc/38/30/75/1072383075.db2.gz UYXPTURAPKRQQO-ZWKOTPCHSA-N 0 3 439.601 -0.092 20 0 IBADHN COCCN(C)CCN1C[C@@H](NC(=O)c2cc(S(=O)(=O)N(C)C)c(C)o2)CC1=O ZINC000567077834 1072385062 /nfs/dbraw/zinc/38/50/62/1072385062.db2.gz KIKJORXZNONRAH-AWEZNQCLSA-N 0 3 430.527 -0.253 20 0 IBADHN COCCN(C)CCN1C[C@H](NC(=O)c2cc(S(=O)(=O)N(C)C)c(C)o2)CC1=O ZINC000567077835 1072385108 /nfs/dbraw/zinc/38/51/08/1072385108.db2.gz KIKJORXZNONRAH-CQSZACIVSA-N 0 3 430.527 -0.253 20 0 IBADHN CCn1c(=O)c(C(=O)CN2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c(N)n(Cc2ccccc2)c1=O ZINC000567124208 1072385987 /nfs/dbraw/zinc/38/59/87/1072385987.db2.gz BXMICMKOZVEXAM-CVEARBPZSA-N 0 3 440.504 -0.913 20 0 IBADHN CCn1c(=O)c(C(=O)CN2CCN3C(=O)[C@@H](N)C[C@H]3C2)c(N)n(Cc2ccccc2)c1=O ZINC000567124209 1072386058 /nfs/dbraw/zinc/38/60/58/1072386058.db2.gz BXMICMKOZVEXAM-HOTGVXAUSA-N 0 3 440.504 -0.913 20 0 IBADHN CCn1c(=O)c(C(=O)CN2CCN3C(=O)[C@H](N)C[C@@H]3C2)c(N)n(Cc2ccccc2)c1=O ZINC000567124210 1072386074 /nfs/dbraw/zinc/38/60/74/1072386074.db2.gz BXMICMKOZVEXAM-HZPDHXFCSA-N 0 3 440.504 -0.913 20 0 IBADHN CCn1c(=O)c(C(=O)CN2CCN3C(=O)[C@H](N)C[C@H]3C2)c(N)n(Cc2ccccc2)c1=O ZINC000567124211 1072386035 /nfs/dbraw/zinc/38/60/35/1072386035.db2.gz BXMICMKOZVEXAM-JKSUJKDBSA-N 0 3 440.504 -0.913 20 0 IBADHN COc1cnccc1N1CCN(C(=O)C(=O)N[C@H]2CCCN(c3ccn(C)n3)C2=O)CC1 ZINC000567137601 1072386658 /nfs/dbraw/zinc/38/66/58/1072386658.db2.gz OVWZKRIXGLXEGK-HNNXBMFYSA-N 0 3 441.492 -0.216 20 0 IBADHN COc1cnccc1N1CCN(C(=O)C(=O)N[C@@H]2CCCN(c3ccn(C)n3)C2=O)CC1 ZINC000567137602 1072386580 /nfs/dbraw/zinc/38/65/80/1072386580.db2.gz OVWZKRIXGLXEGK-OAHLLOKOSA-N 0 3 441.492 -0.216 20 0 IBADHN CC(C)Nc1nc(NCCO)nc(NCc2ccccc2CS(=O)(=O)N2CCCC2)n1 ZINC000567188313 1072387911 /nfs/dbraw/zinc/38/79/11/1072387911.db2.gz LYNWQXQDDWZYNI-UHFFFAOYSA-N 0 3 449.581 -0.101 20 0 IBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NCc2ccc(S(C)(=O)=O)s2)CC1 ZINC000567224960 1072388838 /nfs/dbraw/zinc/38/88/38/1072388838.db2.gz KKIZBRBUNZJDBV-UHFFFAOYSA-N 0 3 444.579 -0.220 20 0 IBADHN CN(C)C(=O)CCN1CCN(c2cncc(N3CCN(CCC(=O)N(C)C)CC3)n2)CC1 ZINC000567252341 1072388916 /nfs/dbraw/zinc/38/89/16/1072388916.db2.gz OHXPXNMFFWRRTI-UHFFFAOYSA-N 0 3 446.600 -0.323 20 0 IBADHN COCCNS(=O)(=O)c1cccc(CNC(=O)C(=O)N2CC[C@H]3CC[C@@H](C2)N3C)c1 ZINC000567334411 1072390459 /nfs/dbraw/zinc/39/04/59/1072390459.db2.gz NZZDQQVCJZYLGV-SJORKVTESA-N 0 3 438.550 -0.077 20 0 IBADHN CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c1 ZINC000567368559 1072390318 /nfs/dbraw/zinc/39/03/18/1072390318.db2.gz ZXHFBTBHWGPUKJ-BBRMVZONSA-N 0 3 430.552 -0.350 20 0 IBADHN CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c1 ZINC000567368560 1072390337 /nfs/dbraw/zinc/39/03/37/1072390337.db2.gz ZXHFBTBHWGPUKJ-CJNGLKHVSA-N 0 3 430.552 -0.350 20 0 IBADHN CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c1 ZINC000567368561 1072390811 /nfs/dbraw/zinc/39/08/11/1072390811.db2.gz ZXHFBTBHWGPUKJ-CZUORRHYSA-N 0 3 430.552 -0.350 20 0 IBADHN CCN(CC)S(=O)(=O)c1cccc(S(=O)(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)c1 ZINC000567368562 1072390869 /nfs/dbraw/zinc/39/08/69/1072390869.db2.gz ZXHFBTBHWGPUKJ-XJKSGUPXSA-N 0 3 430.552 -0.350 20 0 IBADHN CC(C)CN1CCO[C@@H](CNC(=O)C(=O)NCCCN2CCN(c3ncccn3)CC2)C1 ZINC000567474067 1072393230 /nfs/dbraw/zinc/39/32/30/1072393230.db2.gz AHZNPHIZGWHMLH-IBGZPJMESA-N 0 3 447.584 -0.422 20 0 IBADHN CC(C)CN1CCO[C@H](CNC(=O)C(=O)NCCCN2CCN(c3ncccn3)CC2)C1 ZINC000567474068 1072392951 /nfs/dbraw/zinc/39/29/51/1072392951.db2.gz AHZNPHIZGWHMLH-LJQANCHMSA-N 0 3 447.584 -0.422 20 0 IBADHN COc1ccc(C(=O)N2CCN(c3nc(NCCO)nc(NC(C)C)n3)CC2)c(OC)c1 ZINC000567617547 1072395119 /nfs/dbraw/zinc/39/51/19/1072395119.db2.gz NNIWQFQWXZTBNJ-UHFFFAOYSA-N 0 3 445.524 -0.081 20 0 IBADHN CN(C)[C@H](CNC(=O)C(=O)N1CCN(CC(=O)N2CCOCC2)CC1)Cc1ccccc1 ZINC000567713093 1072396348 /nfs/dbraw/zinc/39/63/48/1072396348.db2.gz GNURMIKUHDKCKY-FQEVSTJZSA-N 0 3 445.564 -0.722 20 0 IBADHN CN(C)[C@@H](CNC(=O)C(=O)N1CCN(CC(=O)N2CCOCC2)CC1)Cc1ccccc1 ZINC000567713094 1072396456 /nfs/dbraw/zinc/39/64/56/1072396456.db2.gz GNURMIKUHDKCKY-HXUWFJFHSA-N 0 3 445.564 -0.722 20 0 IBADHN COCCN(C)CCN1C[C@H](NC(=O)c2cnn3c2C[C@@H](CNC(C)=O)CC3)CC1=O ZINC000567784757 1072396889 /nfs/dbraw/zinc/39/68/89/1072396889.db2.gz UVPHCRVUXJNQJX-DLBZAZTESA-N 0 3 434.541 -0.510 20 0 IBADHN COCCN(C)CCN1C[C@H](NC(=O)c2cnn3c2C[C@H](CNC(C)=O)CC3)CC1=O ZINC000567784758 1072396995 /nfs/dbraw/zinc/39/69/95/1072396995.db2.gz UVPHCRVUXJNQJX-IAGOWNOFSA-N 0 3 434.541 -0.510 20 0 IBADHN COCCN(C)CCN1C[C@@H](NC(=O)c2cnn3c2C[C@@H](CNC(C)=O)CC3)CC1=O ZINC000567784759 1072397028 /nfs/dbraw/zinc/39/70/28/1072397028.db2.gz UVPHCRVUXJNQJX-IRXDYDNUSA-N 0 3 434.541 -0.510 20 0 IBADHN COCCN(C)CCN1C[C@@H](NC(=O)c2cnn3c2C[C@H](CNC(C)=O)CC3)CC1=O ZINC000567784760 1072396933 /nfs/dbraw/zinc/39/69/33/1072396933.db2.gz UVPHCRVUXJNQJX-SJORKVTESA-N 0 3 434.541 -0.510 20 0 IBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCCc2nn(C)c3ccccc23)CC1 ZINC000567961480 1072398440 /nfs/dbraw/zinc/39/84/40/1072398440.db2.gz HFLNQSANAZOFLU-IBGZPJMESA-N 0 3 426.521 -0.003 20 0 IBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCCc2nn(C)c3ccccc23)CC1 ZINC000567961483 1072398511 /nfs/dbraw/zinc/39/85/11/1072398511.db2.gz HFLNQSANAZOFLU-LJQANCHMSA-N 0 3 426.521 -0.003 20 0 IBADHN CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000568009481 1072399037 /nfs/dbraw/zinc/39/90/37/1072399037.db2.gz FYJXDWBGIAHZBB-INIZCTEOSA-N 0 3 441.554 -0.115 20 0 IBADHN CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000568009482 1072399075 /nfs/dbraw/zinc/39/90/75/1072399075.db2.gz FYJXDWBGIAHZBB-MRXNPFEDSA-N 0 3 441.554 -0.115 20 0 IBADHN CCN1CCN(Cc2ccccc2CNC(=O)C(=O)N2CC[C@@H](S(N)(=O)=O)C2)CC1 ZINC000568121077 1072400777 /nfs/dbraw/zinc/40/07/77/1072400777.db2.gz HIPWHSDQNFORTC-GOSISDBHSA-N 0 3 437.566 -0.670 20 0 IBADHN CCN1CCN(Cc2ccccc2CNC(=O)C(=O)N2CC[C@H](S(N)(=O)=O)C2)CC1 ZINC000568121078 1072400746 /nfs/dbraw/zinc/40/07/46/1072400746.db2.gz HIPWHSDQNFORTC-SFHVURJKSA-N 0 3 437.566 -0.670 20 0 IBADHN N[C@H]1C[C@@H]2CN(S(=O)(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)CCN2C1=O ZINC000568268422 1072401982 /nfs/dbraw/zinc/40/19/82/1072401982.db2.gz WZOTVYUYHYXADK-PBHICJAKSA-N 0 3 442.563 -0.206 20 0 IBADHN N[C@@H]1C[C@@H]2CN(S(=O)(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)CCN2C1=O ZINC000568268423 1072402007 /nfs/dbraw/zinc/40/20/07/1072402007.db2.gz WZOTVYUYHYXADK-RHSMWYFYSA-N 0 3 442.563 -0.206 20 0 IBADHN N[C@@H]1C[C@H]2CN(S(=O)(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)CCN2C1=O ZINC000568268424 1072402027 /nfs/dbraw/zinc/40/20/27/1072402027.db2.gz WZOTVYUYHYXADK-WMLDXEAASA-N 0 3 442.563 -0.206 20 0 IBADHN N[C@H]1C[C@H]2CN(S(=O)(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)CCN2C1=O ZINC000568268425 1072402017 /nfs/dbraw/zinc/40/20/17/1072402017.db2.gz WZOTVYUYHYXADK-YOEHRIQHSA-N 0 3 442.563 -0.206 20 0 IBADHN COCCn1cc2c(n1)[C@H](NC(=O)C(=O)N1CCN(C(=O)[C@@H]3CCCN3C)CC1)CCC2 ZINC000568328346 1072403876 /nfs/dbraw/zinc/40/38/76/1072403876.db2.gz QRDJJSMRITVHJM-MSOLQXFVSA-N 0 3 446.552 -0.212 20 0 IBADHN COCCn1cc2c(n1)[C@H](NC(=O)C(=O)N1CCN(C(=O)[C@H]3CCCN3C)CC1)CCC2 ZINC000568328347 1072403861 /nfs/dbraw/zinc/40/38/61/1072403861.db2.gz QRDJJSMRITVHJM-QZTJIDSGSA-N 0 3 446.552 -0.212 20 0 IBADHN COCCn1cc2c(n1)[C@@H](NC(=O)C(=O)N1CCN(C(=O)[C@@H]3CCCN3C)CC1)CCC2 ZINC000568328348 1072403978 /nfs/dbraw/zinc/40/39/78/1072403978.db2.gz QRDJJSMRITVHJM-ROUUACIJSA-N 0 3 446.552 -0.212 20 0 IBADHN COCCn1cc2c(n1)[C@@H](NC(=O)C(=O)N1CCN(C(=O)[C@H]3CCCN3C)CC1)CCC2 ZINC000568328349 1072403888 /nfs/dbraw/zinc/40/38/88/1072403888.db2.gz QRDJJSMRITVHJM-ZWKOTPCHSA-N 0 3 446.552 -0.212 20 0 IBADHN COCC[C@@]1(NCC(=O)N2CCN(S(=O)(=O)c3c(C)noc3C)CC2)CCOC1 ZINC000568352614 1072404448 /nfs/dbraw/zinc/40/44/48/1072404448.db2.gz AONNXTBASMBDFZ-GOSISDBHSA-N 0 3 430.527 -0.090 20 0 IBADHN COCC[C@]1(NCC(=O)N2CCN(S(=O)(=O)c3c(C)noc3C)CC2)CCOC1 ZINC000568352615 1072404426 /nfs/dbraw/zinc/40/44/26/1072404426.db2.gz AONNXTBASMBDFZ-SFHVURJKSA-N 0 3 430.527 -0.090 20 0 IBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000568377113 1072405071 /nfs/dbraw/zinc/40/50/71/1072405071.db2.gz XPPTYBYAPJRRDR-INIZCTEOSA-N 0 3 433.509 -0.377 20 0 IBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000568377114 1072405036 /nfs/dbraw/zinc/40/50/36/1072405036.db2.gz XPPTYBYAPJRRDR-MRXNPFEDSA-N 0 3 433.509 -0.377 20 0 IBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCCNC(=O)Cc2cccc(F)c2)CC1 ZINC000568661812 1072410953 /nfs/dbraw/zinc/41/09/53/1072410953.db2.gz DZKCFNNLPBRFNV-GOSISDBHSA-N 0 3 447.511 -0.634 20 0 IBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCCNC(=O)Cc2cccc(F)c2)CC1 ZINC000568661813 1072411424 /nfs/dbraw/zinc/41/14/24/1072411424.db2.gz DZKCFNNLPBRFNV-SFHVURJKSA-N 0 3 447.511 -0.634 20 0 IBADHN CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)c1 ZINC000568664063 1073505711 /nfs/dbraw/zinc/50/57/11/1073505711.db2.gz IQUIKTRQEHGXCR-PBHICJAKSA-N 0 3 435.550 -0.079 20 0 IBADHN CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)c1 ZINC000568664066 1073505850 /nfs/dbraw/zinc/50/58/50/1073505850.db2.gz IQUIKTRQEHGXCR-RHSMWYFYSA-N 0 3 435.550 -0.079 20 0 IBADHN CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)c1 ZINC000568664067 1073505916 /nfs/dbraw/zinc/50/59/16/1073505916.db2.gz IQUIKTRQEHGXCR-WMLDXEAASA-N 0 3 435.550 -0.079 20 0 IBADHN CN(C)S(=O)(=O)c1ccc(N2CCCC2)c(C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)c1 ZINC000568664068 1073505682 /nfs/dbraw/zinc/50/56/82/1073505682.db2.gz IQUIKTRQEHGXCR-YOEHRIQHSA-N 0 3 435.550 -0.079 20 0 IBADHN COCCN(CCN(C)C)C(=O)C(=O)NCc1ccc(C(=O)N2CCN(C)CC2)cc1 ZINC000568668829 1072411492 /nfs/dbraw/zinc/41/14/92/1072411492.db2.gz DEPBTOOHCPIRPS-UHFFFAOYSA-N 0 3 433.553 -0.273 20 0 IBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NC2CCN(c3cccnn3)CC2)CC1 ZINC000568683166 1072412002 /nfs/dbraw/zinc/41/20/02/1072412002.db2.gz FUBQOTSJQBMQJW-UHFFFAOYSA-N 0 3 431.541 -0.426 20 0 IBADHN CCS(=O)(=O)N1CCC([C@H](C)N(C)CC(=O)N2CCN(CC(=O)N(C)C)CC2)CC1 ZINC000568796329 1072413461 /nfs/dbraw/zinc/41/34/61/1072413461.db2.gz VUFIYXDMWJUGKK-KRWDZBQOSA-N 0 3 445.630 -0.399 20 0 IBADHN CCS(=O)(=O)N1CCC([C@@H](C)N(C)CC(=O)N2CCN(CC(=O)N(C)C)CC2)CC1 ZINC000568796330 1072413526 /nfs/dbraw/zinc/41/35/26/1072413526.db2.gz VUFIYXDMWJUGKK-QGZVFWFLSA-N 0 3 445.630 -0.399 20 0 IBADHN CCOc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C(=O)NCCN(C)C ZINC000568797324 1072413600 /nfs/dbraw/zinc/41/36/00/1072413600.db2.gz XFNBECNCTZQVLF-UHFFFAOYSA-N 0 3 428.511 -0.278 20 0 IBADHN C[C@@H]1CN(C(C)(C)CNC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)C[C@H](C)O1 ZINC000568846291 1072414602 /nfs/dbraw/zinc/41/46/02/1072414602.db2.gz PSWVWRSSTLWAMJ-FGTMMUONSA-N 0 3 437.585 -0.245 20 0 IBADHN C[C@@H]1CN(C(C)(C)CNC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)C[C@H](C)O1 ZINC000568846300 1072414640 /nfs/dbraw/zinc/41/46/40/1072414640.db2.gz PSWVWRSSTLWAMJ-KSZLIROESA-N 0 3 437.585 -0.245 20 0 IBADHN C[C@@H]1CN(C(C)(C)CNC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)C[C@@H](C)O1 ZINC000568846301 1072414758 /nfs/dbraw/zinc/41/47/58/1072414758.db2.gz PSWVWRSSTLWAMJ-KURKYZTESA-N 0 3 437.585 -0.245 20 0 IBADHN C[C@@H]1CN(C(C)(C)CNC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)C[C@@H](C)O1 ZINC000568846302 1072414685 /nfs/dbraw/zinc/41/46/85/1072414685.db2.gz PSWVWRSSTLWAMJ-KZNAEPCWSA-N 0 3 437.585 -0.245 20 0 IBADHN COC1CCN(C(C)(C)CNC(=O)C(=O)N2CCC([C@]3(C)NC(=O)NC3=O)CC2)CC1 ZINC000568897128 1072415230 /nfs/dbraw/zinc/41/52/30/1072415230.db2.gz CEGGNSXVXDHOFR-NRFANRHFSA-N 0 3 437.541 -0.171 20 0 IBADHN COC1CCN(C(C)(C)CNC(=O)C(=O)N2CCC([C@@]3(C)NC(=O)NC3=O)CC2)CC1 ZINC000568897129 1072415257 /nfs/dbraw/zinc/41/52/57/1072415257.db2.gz CEGGNSXVXDHOFR-OAQYLSRUSA-N 0 3 437.541 -0.171 20 0 IBADHN CN(C(=O)C(=O)NCCNC(=O)c1cnccn1)C1CCN(CCc2ccccn2)CC1 ZINC000568912447 1072415935 /nfs/dbraw/zinc/41/59/35/1072415935.db2.gz UJOGPHLIVOYGND-UHFFFAOYSA-N 0 3 439.520 -0.117 20 0 IBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N[C@H]2CCCN(c3ccnn3C)C2)CC1 ZINC000568925073 1072416337 /nfs/dbraw/zinc/41/63/37/1072416337.db2.gz LREIUQKUYRBIFC-DLBZAZTESA-N 0 3 431.541 -0.730 20 0 IBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N[C@@H]2CCCN(c3ccnn3C)C2)CC1 ZINC000568925074 1072416279 /nfs/dbraw/zinc/41/62/79/1072416279.db2.gz LREIUQKUYRBIFC-IAGOWNOFSA-N 0 3 431.541 -0.730 20 0 IBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N[C@H]2CCCN(c3ccnn3C)C2)CC1 ZINC000568925075 1072416450 /nfs/dbraw/zinc/41/64/50/1072416450.db2.gz LREIUQKUYRBIFC-IRXDYDNUSA-N 0 3 431.541 -0.730 20 0 IBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N[C@@H]2CCCN(c3ccnn3C)C2)CC1 ZINC000568925076 1072416297 /nfs/dbraw/zinc/41/62/97/1072416297.db2.gz LREIUQKUYRBIFC-SJORKVTESA-N 0 3 431.541 -0.730 20 0 IBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCc2nccn2CC(F)(F)F)CC1 ZINC000569132763 1072420774 /nfs/dbraw/zinc/42/07/74/1072420774.db2.gz HBJTXPQJZPIUPV-CYBMUJFWSA-N 0 3 430.431 -0.173 20 0 IBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCc2nccn2CC(F)(F)F)CC1 ZINC000569132764 1072420786 /nfs/dbraw/zinc/42/07/86/1072420786.db2.gz HBJTXPQJZPIUPV-ZDUSSCGKSA-N 0 3 430.431 -0.173 20 0 IBADHN CN(CCCN(C)c1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)Cc1ccco1 ZINC000569372647 1072425407 /nfs/dbraw/zinc/42/54/07/1072425407.db2.gz AQTDCFZOUPPTPE-WVSUBDOOSA-N 0 3 432.481 -0.011 20 0 IBADHN CC(C)S(=O)(=O)Nc1ccc(S(=O)(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cc1F ZINC000569379581 1072425344 /nfs/dbraw/zinc/42/53/44/1072425344.db2.gz ITXDAKXTTCELSE-BXUZGUMPSA-N 0 3 434.515 -0.092 20 0 IBADHN CC(C)S(=O)(=O)Nc1ccc(S(=O)(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cc1F ZINC000569379582 1072425443 /nfs/dbraw/zinc/42/54/43/1072425443.db2.gz ITXDAKXTTCELSE-FZMZJTMJSA-N 0 3 434.515 -0.092 20 0 IBADHN CC(C)S(=O)(=O)Nc1ccc(S(=O)(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cc1F ZINC000569379583 1072425507 /nfs/dbraw/zinc/42/55/07/1072425507.db2.gz ITXDAKXTTCELSE-RISCZKNCSA-N 0 3 434.515 -0.092 20 0 IBADHN CC(C)S(=O)(=O)Nc1ccc(S(=O)(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cc1F ZINC000569379584 1072425391 /nfs/dbraw/zinc/42/53/91/1072425391.db2.gz ITXDAKXTTCELSE-SMDDNHRTSA-N 0 3 434.515 -0.092 20 0 IBADHN CC(C)Nc1nc(NCCO)nc(NC[C@H]2CCN(S(=O)(=O)c3cccs3)C2)n1 ZINC000569466031 1072427989 /nfs/dbraw/zinc/42/79/89/1072427989.db2.gz XKQLNRXMVOPKIJ-CYBMUJFWSA-N 0 3 441.583 -0.454 20 0 IBADHN CC(C)Nc1nc(NCCO)nc(NC[C@@H]2CCN(S(=O)(=O)c3cccs3)C2)n1 ZINC000569466034 1072427923 /nfs/dbraw/zinc/42/79/23/1072427923.db2.gz XKQLNRXMVOPKIJ-ZDUSSCGKSA-N 0 3 441.583 -0.454 20 0 IBADHN COc1ccc(C(=O)NC[C@]2(O)CN3CCC2CC3)cc1S(=O)(=O)N1CCOCC1 ZINC000569600007 1072430236 /nfs/dbraw/zinc/43/02/36/1072430236.db2.gz QOMVVWCPNZCTGJ-FQEVSTJZSA-N 0 3 439.534 -0.097 20 0 IBADHN COc1ccc(C(=O)NC[C@@]2(O)CN3CCC2CC3)cc1S(=O)(=O)N1CCOCC1 ZINC000569600008 1072430255 /nfs/dbraw/zinc/43/02/55/1072430255.db2.gz QOMVVWCPNZCTGJ-HXUWFJFHSA-N 0 3 439.534 -0.097 20 0 IBADHN CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)NC[C@@]1(O)CCN(C)C1 ZINC000569651019 1072431292 /nfs/dbraw/zinc/43/12/92/1072431292.db2.gz ZTPLVXVGMBGMAU-FQEVSTJZSA-N 0 3 440.566 -0.182 20 0 IBADHN CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)NC[C@]1(O)CCN(C)C1 ZINC000569651020 1072431442 /nfs/dbraw/zinc/43/14/42/1072431442.db2.gz ZTPLVXVGMBGMAU-HXUWFJFHSA-N 0 3 440.566 -0.182 20 0 IBADHN N[C@H]1C[C@@H]2CN(C(=O)CCc3ccc(S(=O)(=O)N4CCOCC4)cc3)CCN2C1=O ZINC000569942452 1073580425 /nfs/dbraw/zinc/58/04/25/1073580425.db2.gz SJODZNFIBIUDDS-AEFFLSMTSA-N 0 3 436.534 -0.590 20 0 IBADHN N[C@@H]1C[C@H]2CN(C(=O)CCc3ccc(S(=O)(=O)N4CCOCC4)cc3)CCN2C1=O ZINC000569942461 1071277426 /nfs/dbraw/zinc/27/74/26/1071277426.db2.gz SJODZNFIBIUDDS-FUHWJXTLSA-N 0 3 436.534 -0.590 20 0 IBADHN N[C@@H]1C[C@@H]2CN(C(=O)CCc3ccc(S(=O)(=O)N4CCOCC4)cc3)CCN2C1=O ZINC000569942462 1073580481 /nfs/dbraw/zinc/58/04/81/1073580481.db2.gz SJODZNFIBIUDDS-SJLPKXTDSA-N 0 3 436.534 -0.590 20 0 IBADHN N[C@H]1C[C@H]2CN(C(=O)CCc3ccc(S(=O)(=O)N4CCOCC4)cc3)CCN2C1=O ZINC000569942464 1073580328 /nfs/dbraw/zinc/58/03/28/1073580328.db2.gz SJODZNFIBIUDDS-WMZOPIPTSA-N 0 3 436.534 -0.590 20 0 IBADHN CN1CCN(C(=O)CN2CCCC3(CCCN(CC(=O)N4CCN(C)CC4)C3)C2)CC1 ZINC000570010808 1071278944 /nfs/dbraw/zinc/27/89/44/1071278944.db2.gz IYLVIOCIOIEHRL-UHFFFAOYSA-N 0 3 434.629 -0.288 20 0 IBADHN Cn1c2ccc(NC(=O)CCC(=O)NC(C)(C)CCN3CCN(C)CC3)nc2n(C)c1=O ZINC000570034223 1073353940 /nfs/dbraw/zinc/35/39/40/1073353940.db2.gz VMEPZVJNAZVTJJ-UHFFFAOYSA-N 0 3 445.568 0.523 20 0 IBADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)Nc3ccn(CCC(N)=O)n3)cc2)CC1 ZINC000570090915 1073337010 /nfs/dbraw/zinc/33/70/10/1073337010.db2.gz PIFJZSMMXDCCEM-UHFFFAOYSA-N 0 3 427.509 0.473 20 0 IBADHN Cc1noc(C)c1S(=O)(=O)NC1(C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)CCCC1 ZINC000570107271 1073585027 /nfs/dbraw/zinc/58/50/27/1073585027.db2.gz KWWFTKXOQDPXQC-KBPBESRZSA-N 0 3 425.511 -0.347 20 0 IBADHN Cc1noc(C)c1S(=O)(=O)NC1(C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)CCCC1 ZINC000570107277 1073585202 /nfs/dbraw/zinc/58/52/02/1073585202.db2.gz KWWFTKXOQDPXQC-KGLIPLIRSA-N 0 3 425.511 -0.347 20 0 IBADHN Cc1noc(C)c1S(=O)(=O)NC1(C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)CCCC1 ZINC000570107278 1073585270 /nfs/dbraw/zinc/58/52/70/1073585270.db2.gz KWWFTKXOQDPXQC-UONOGXRCSA-N 0 3 425.511 -0.347 20 0 IBADHN Cc1noc(C)c1S(=O)(=O)NC1(C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)CCCC1 ZINC000570107281 1073585326 /nfs/dbraw/zinc/58/53/26/1073585326.db2.gz KWWFTKXOQDPXQC-ZIAGYGMSSA-N 0 3 425.511 -0.347 20 0 IBADHN Cc1ccc(C(=O)NCCNC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)cc1F ZINC000570111705 1072438897 /nfs/dbraw/zinc/43/88/97/1072438897.db2.gz XCMKGJFVEHRVLB-UHFFFAOYSA-N 0 3 447.511 -0.253 20 0 IBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N[C@H]2CCCN(c3ncccn3)C2)CC1 ZINC000570112003 1071282369 /nfs/dbraw/zinc/28/23/69/1071282369.db2.gz FWDPAPUHPFIBCQ-DLBZAZTESA-N 0 3 429.525 -0.673 20 0 IBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N[C@@H]2CCCN(c3ncccn3)C2)CC1 ZINC000570112004 1072438748 /nfs/dbraw/zinc/43/87/48/1072438748.db2.gz FWDPAPUHPFIBCQ-IAGOWNOFSA-N 0 3 429.525 -0.673 20 0 IBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N[C@H]2CCCN(c3ncccn3)C2)CC1 ZINC000570112005 1072438968 /nfs/dbraw/zinc/43/89/68/1072438968.db2.gz FWDPAPUHPFIBCQ-IRXDYDNUSA-N 0 3 429.525 -0.673 20 0 IBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N[C@@H]2CCCN(c3ncccn3)C2)CC1 ZINC000570112006 1072438921 /nfs/dbraw/zinc/43/89/21/1072438921.db2.gz FWDPAPUHPFIBCQ-SJORKVTESA-N 0 3 429.525 -0.673 20 0 IBADHN Cc1cc(NC(=O)CN2CCN(C(=O)C(=O)NC[C@@H]3N(C)CCCC3(C)C)CC2)no1 ZINC000570129430 1072439383 /nfs/dbraw/zinc/43/93/83/1072439383.db2.gz ABYANHRWXUSFFT-INIZCTEOSA-N 0 3 434.541 0.302 20 0 IBADHN Cc1cc(NC(=O)CN2CCN(C(=O)C(=O)NC[C@H]3N(C)CCCC3(C)C)CC2)no1 ZINC000570129433 1073329405 /nfs/dbraw/zinc/32/94/05/1073329405.db2.gz ABYANHRWXUSFFT-MRXNPFEDSA-N 0 3 434.541 0.302 20 0 IBADHN CNc1nc(N2C[C@H](C)S(=O)(=O)[C@@H](C)C2)nc(N2C[C@H](C)S(=O)(=O)[C@@H](C)C2)n1 ZINC000570212974 1073591415 /nfs/dbraw/zinc/59/14/15/1073591415.db2.gz JIVUUDUZVYQRHO-CYDGBPFRSA-N 0 3 432.572 -0.641 20 0 IBADHN CNc1nc(N2C[C@@H](C)S(=O)(=O)[C@H](C)C2)nc(N2C[C@@H](C)S(=O)(=O)[C@@H](C)C2)n1 ZINC000570212975 1073591485 /nfs/dbraw/zinc/59/14/85/1073591485.db2.gz JIVUUDUZVYQRHO-LPWJVIDDSA-N 0 3 432.572 -0.641 20 0 IBADHN CNc1nc(N2C[C@@H](C)S(=O)(=O)[C@@H](C)C2)nc(N2C[C@@H](C)S(=O)(=O)[C@@H](C)C2)n1 ZINC000570212976 1073591394 /nfs/dbraw/zinc/59/13/94/1073591394.db2.gz JIVUUDUZVYQRHO-MPZDIEGVSA-N 0 3 432.572 -0.641 20 0 IBADHN CNc1nc(N2C[C@@H](C)S(=O)(=O)[C@@H](C)C2)nc(N2C[C@H](C)S(=O)(=O)[C@@H](C)C2)n1 ZINC000570212977 1073591577 /nfs/dbraw/zinc/59/15/77/1073591577.db2.gz JIVUUDUZVYQRHO-ZDEQEGDKSA-N 0 3 432.572 -0.641 20 0 IBADHN CC(C)[C@H](CNC(=O)C(=O)NCc1ccnc(N2CCN(C)CC2)c1)N1CCN(C)CC1 ZINC000570228872 1072441356 /nfs/dbraw/zinc/44/13/56/1072441356.db2.gz JXAJRMLTYCEYTH-FQEVSTJZSA-N 0 3 445.612 -0.162 20 0 IBADHN CC(C)[C@@H](CNC(=O)C(=O)NCc1ccnc(N2CCN(C)CC2)c1)N1CCN(C)CC1 ZINC000570228873 1072441234 /nfs/dbraw/zinc/44/12/34/1072441234.db2.gz JXAJRMLTYCEYTH-HXUWFJFHSA-N 0 3 445.612 -0.162 20 0 IBADHN O=C(CN1CCCC1)N1CCN(C(=O)C(=O)N[C@@H]2CCCN(c3cccnc3)C2=O)CC1 ZINC000570239453 1072441260 /nfs/dbraw/zinc/44/12/60/1072441260.db2.gz BBLPVDFXXFLXDO-GOSISDBHSA-N 0 3 442.520 -0.540 20 0 IBADHN O=C(CN1CCCC1)N1CCN(C(=O)C(=O)N[C@H]2CCCN(c3cccnc3)C2=O)CC1 ZINC000570239460 1072441099 /nfs/dbraw/zinc/44/10/99/1072441099.db2.gz BBLPVDFXXFLXDO-SFHVURJKSA-N 0 3 442.520 -0.540 20 0 IBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NC2CCN(C(=O)CCOC)CC2)CC1 ZINC000570313397 1072442362 /nfs/dbraw/zinc/44/23/62/1072442362.db2.gz RWTYKWLWIPVGOI-UHFFFAOYSA-N 0 3 439.557 -0.857 20 0 IBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)Nc2ccc3c(c2)OCC(=O)N3C)CC1 ZINC000570355271 1072442921 /nfs/dbraw/zinc/44/29/21/1072442921.db2.gz DGQKMYFLQINVPH-INIZCTEOSA-N 0 3 429.477 -0.255 20 0 IBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)Nc2ccc3c(c2)OCC(=O)N3C)CC1 ZINC000570355272 1072442945 /nfs/dbraw/zinc/44/29/45/1072442945.db2.gz DGQKMYFLQINVPH-MRXNPFEDSA-N 0 3 429.477 -0.255 20 0 IBADHN CC(=O)c1cccc(S(=O)(=O)NCC(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)c1 ZINC000570372736 1072443588 /nfs/dbraw/zinc/44/35/88/1072443588.db2.gz FPKNUVNQWGHGEN-GOSISDBHSA-N 0 3 436.534 -0.068 20 0 IBADHN CC(=O)c1cccc(S(=O)(=O)NCC(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)c1 ZINC000570372737 1072443565 /nfs/dbraw/zinc/44/35/65/1072443565.db2.gz FPKNUVNQWGHGEN-SFHVURJKSA-N 0 3 436.534 -0.068 20 0 IBADHN CSCC[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000570464344 1072444703 /nfs/dbraw/zinc/44/47/03/1072444703.db2.gz QBJWDWHYRCZXQW-CFVMTHIKSA-N 0 3 444.554 -0.004 20 0 IBADHN CSCC[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000570464345 1072444739 /nfs/dbraw/zinc/44/47/39/1072444739.db2.gz QBJWDWHYRCZXQW-QEJZJMRPSA-N 0 3 444.554 -0.004 20 0 IBADHN CSCC[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000570464348 1072444750 /nfs/dbraw/zinc/44/47/50/1072444750.db2.gz QBJWDWHYRCZXQW-SNPRPXQTSA-N 0 3 444.554 -0.004 20 0 IBADHN CSCC[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000570464350 1072445239 /nfs/dbraw/zinc/44/52/39/1072445239.db2.gz QBJWDWHYRCZXQW-YUELXQCFSA-N 0 3 444.554 -0.004 20 0 IBADHN C[C@@H](NC(=O)C1CCN(c2ccc3nnnn3n2)CC1)C(=O)NCCN1CCCCC1 ZINC000570467350 1072445261 /nfs/dbraw/zinc/44/52/61/1072445261.db2.gz ZAKKYMZYSNJJCH-OAHLLOKOSA-N 0 3 429.529 -0.158 20 0 IBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NCCNC(=O)Cc2cccc(F)c2)CC1 ZINC000570554488 1072446410 /nfs/dbraw/zinc/44/64/10/1072446410.db2.gz VICPKIZGOAPYPP-UHFFFAOYSA-N 0 3 449.527 -0.387 20 0 IBADHN CNS(=O)(=O)c1cccc(CNC(=O)C(=O)NC[C@H](C)CN2CCN(C)CC2)c1 ZINC000570588014 1072447070 /nfs/dbraw/zinc/44/70/70/1072447070.db2.gz YVWFEXVVEQYWPE-HNNXBMFYSA-N 0 3 425.555 -0.789 20 0 IBADHN CNS(=O)(=O)c1cccc(CNC(=O)C(=O)NC[C@@H](C)CN2CCN(C)CC2)c1 ZINC000570588020 1072447126 /nfs/dbraw/zinc/44/71/26/1072447126.db2.gz YVWFEXVVEQYWPE-OAHLLOKOSA-N 0 3 425.555 -0.789 20 0 IBADHN CNS(=O)(=O)c1cccc(CNC(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)c1 ZINC000570668333 1072448990 /nfs/dbraw/zinc/44/89/90/1072448990.db2.gz PJVHHLCPJFENSO-UHFFFAOYSA-N 0 3 425.555 -0.647 20 0 IBADHN O=C(CCNC(=O)C(=O)N1CC[C@@H](N2CCCCC2)C1)N1CCN(c2ncccn2)CC1 ZINC000570707932 1072449824 /nfs/dbraw/zinc/44/98/24/1072449824.db2.gz YASZNSJRBYWFOD-GOSISDBHSA-N 0 3 443.552 -0.282 20 0 IBADHN O=C(CCNC(=O)C(=O)N1CC[C@H](N2CCCCC2)C1)N1CCN(c2ncccn2)CC1 ZINC000570707935 1072449683 /nfs/dbraw/zinc/44/96/83/1072449683.db2.gz YASZNSJRBYWFOD-SFHVURJKSA-N 0 3 443.552 -0.282 20 0 IBADHN CC(C)CN1CCO[C@@H](CNC(=O)C(=O)NCc2ccc(N3CCN(C)CC3)nc2)C1 ZINC000570870582 1072453207 /nfs/dbraw/zinc/45/32/07/1072453207.db2.gz KQWSRSRTUYQAKX-IBGZPJMESA-N 0 3 432.569 -0.077 20 0 IBADHN CC(C)CN1CCO[C@H](CNC(=O)C(=O)NCc2ccc(N3CCN(C)CC3)nc2)C1 ZINC000570870652 1072453254 /nfs/dbraw/zinc/45/32/54/1072453254.db2.gz KQWSRSRTUYQAKX-LJQANCHMSA-N 0 3 432.569 -0.077 20 0 IBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N[C@H]2CCN(c3ncccc3F)C2)CC1 ZINC000570879649 1072453810 /nfs/dbraw/zinc/45/38/10/1072453810.db2.gz HLSHVNUQEQPBGZ-DOTOQJQBSA-N 0 3 432.500 -0.319 20 0 IBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N[C@@H]2CCN(c3ncccc3F)C2)CC1 ZINC000570879650 1072453867 /nfs/dbraw/zinc/45/38/67/1072453867.db2.gz HLSHVNUQEQPBGZ-NVXWUHKLSA-N 0 3 432.500 -0.319 20 0 IBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N[C@H]2CCN(c3ncccc3F)C2)CC1 ZINC000570879651 1072453758 /nfs/dbraw/zinc/45/37/58/1072453758.db2.gz HLSHVNUQEQPBGZ-RDJZCZTQSA-N 0 3 432.500 -0.319 20 0 IBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N[C@@H]2CCN(c3ncccc3F)C2)CC1 ZINC000570879652 1072453689 /nfs/dbraw/zinc/45/36/89/1072453689.db2.gz HLSHVNUQEQPBGZ-WBVHZDCISA-N 0 3 432.500 -0.319 20 0 IBADHN CN(Cc1ccccc1)C(=O)CNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000570990486 1072454905 /nfs/dbraw/zinc/45/49/05/1072454905.db2.gz LFSPZDGXGITFCR-GOSISDBHSA-N 0 3 429.521 -0.474 20 0 IBADHN CN(Cc1ccccc1)C(=O)CNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000570990487 1072455014 /nfs/dbraw/zinc/45/50/14/1072455014.db2.gz LFSPZDGXGITFCR-SFHVURJKSA-N 0 3 429.521 -0.474 20 0 IBADHN CCOC(=O)c1ncn(C2CCN(c3nc(NCCO)nc(NC(C)C)n3)CC2)c1N ZINC000571013646 1072455578 /nfs/dbraw/zinc/45/55/78/1072455578.db2.gz YRTNHVNOYIKQMB-UHFFFAOYSA-N 0 3 433.517 -0.263 20 0 IBADHN COCCN(C)CCN1C[C@@H](NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)CC1=O ZINC000571069461 1073679675 /nfs/dbraw/zinc/67/96/75/1073679675.db2.gz AGXHBJDFHUZHEQ-INIZCTEOSA-N 0 3 426.539 -0.154 20 0 IBADHN COCCN(C)CCN1C[C@H](NC(=O)c2ccc(S(=O)(=O)N(C)C)cc2)CC1=O ZINC000571069462 1073679487 /nfs/dbraw/zinc/67/94/87/1073679487.db2.gz AGXHBJDFHUZHEQ-MRXNPFEDSA-N 0 3 426.539 -0.154 20 0 IBADHN C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)N3CCN4C(=O)[C@H](N)C[C@H]4C3)cc2)C[C@@H](C)O1 ZINC000571299354 1073680933 /nfs/dbraw/zinc/68/09/33/1073680933.db2.gz PHOAHDYVWDDPIN-AHEZYBDSSA-N 0 3 436.534 -0.132 20 0 IBADHN C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)N3CCN4C(=O)[C@H](N)C[C@@H]4C3)cc2)C[C@H](C)O1 ZINC000571299355 1073680761 /nfs/dbraw/zinc/68/07/61/1073680761.db2.gz PHOAHDYVWDDPIN-CXHZTBPHSA-N 0 3 436.534 -0.132 20 0 IBADHN C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)N3CCN4C(=O)[C@H](N)C[C@@H]4C3)cc2)C[C@@H](C)O1 ZINC000571299356 1073680885 /nfs/dbraw/zinc/68/08/85/1073680885.db2.gz PHOAHDYVWDDPIN-GZOSKZMVSA-N 0 3 436.534 -0.132 20 0 IBADHN C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)N3CCN4C(=O)[C@H](N)C[C@H]4C3)cc2)C[C@H](C)O1 ZINC000571299357 1073680866 /nfs/dbraw/zinc/68/08/66/1073680866.db2.gz PHOAHDYVWDDPIN-JSSFPYSZSA-N 0 3 436.534 -0.132 20 0 IBADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N2CC[C@@H](S(=O)(=O)NC(C)C)C2)CC1 ZINC000571349403 1072459784 /nfs/dbraw/zinc/45/97/84/1072459784.db2.gz NPFYMUJKIJQJHB-DLBZAZTESA-N 0 3 431.603 -0.695 20 0 IBADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N2CC[C@@H](S(=O)(=O)NC(C)C)C2)CC1 ZINC000571349404 1072460075 /nfs/dbraw/zinc/46/00/75/1072460075.db2.gz NPFYMUJKIJQJHB-IAGOWNOFSA-N 0 3 431.603 -0.695 20 0 IBADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N2CC[C@H](S(=O)(=O)NC(C)C)C2)CC1 ZINC000571349405 1072460099 /nfs/dbraw/zinc/46/00/99/1072460099.db2.gz NPFYMUJKIJQJHB-IRXDYDNUSA-N 0 3 431.603 -0.695 20 0 IBADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N2CC[C@H](S(=O)(=O)NC(C)C)C2)CC1 ZINC000571349406 1072459935 /nfs/dbraw/zinc/45/99/35/1072459935.db2.gz NPFYMUJKIJQJHB-SJORKVTESA-N 0 3 431.603 -0.695 20 0 IBADHN CC(C)Nc1nc(NCCO)nc(NCCNS(=O)(=O)c2cccc(Cl)c2)n1 ZINC000571390575 1072460418 /nfs/dbraw/zinc/46/04/18/1072460418.db2.gz PSSOXWBCOQSGNH-UHFFFAOYSA-N 0 3 429.934 -0.594 20 0 IBADHN CCn1cc([C@@H]2NC(=O)CC[C@H]2NC(=O)C(=O)N(CCN(C)C)C[C@H]2CCCO2)cn1 ZINC000571480578 1072461919 /nfs/dbraw/zinc/46/19/19/1072461919.db2.gz QYXDGVDASILWJQ-LMMKCTJWSA-N 0 3 434.541 -0.092 20 0 IBADHN CCn1cc([C@@H]2NC(=O)CC[C@H]2NC(=O)C(=O)N(CCN(C)C)C[C@@H]2CCCO2)cn1 ZINC000571480579 1072461843 /nfs/dbraw/zinc/46/18/43/1072461843.db2.gz QYXDGVDASILWJQ-SCTDSRPQSA-N 0 3 434.541 -0.092 20 0 IBADHN COCCN(C)CCN1C[C@@H](NC(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)CC1=O ZINC000571574148 1072162321 /nfs/dbraw/zinc/16/23/21/1072162321.db2.gz QHTMVVAKHRKSFM-KRWDZBQOSA-N 0 3 438.550 -0.082 20 0 IBADHN COCCN(C)CCN1C[C@H](NC(=O)c2ccc3c(c2)CCN3S(C)(=O)=O)CC1=O ZINC000571574150 1072162371 /nfs/dbraw/zinc/16/23/71/1072162371.db2.gz QHTMVVAKHRKSFM-QGZVFWFLSA-N 0 3 438.550 -0.082 20 0 IBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)N[C@@H]1CCCN(c2cccnc2)C1=O ZINC000571589616 1072462331 /nfs/dbraw/zinc/46/23/31/1072462331.db2.gz NHIJRJYVPHETCM-MSOLQXFVSA-N 0 3 444.536 -0.248 20 0 IBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)N[C@@H]1CCCN(c2cccnc2)C1=O ZINC000571589617 1072462265 /nfs/dbraw/zinc/46/22/65/1072462265.db2.gz NHIJRJYVPHETCM-QZTJIDSGSA-N 0 3 444.536 -0.248 20 0 IBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)N[C@H]1CCCN(c2cccnc2)C1=O ZINC000571589618 1072462509 /nfs/dbraw/zinc/46/25/09/1072462509.db2.gz NHIJRJYVPHETCM-ROUUACIJSA-N 0 3 444.536 -0.248 20 0 IBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)N[C@H]1CCCN(c2cccnc2)C1=O ZINC000571589619 1072462390 /nfs/dbraw/zinc/46/23/90/1072462390.db2.gz NHIJRJYVPHETCM-ZWKOTPCHSA-N 0 3 444.536 -0.248 20 0 IBADHN COCCN(C)CCN1C[C@@H](NC(=O)C2CCN(c3ccc4nnnn4n3)CC2)CC1=O ZINC000571904460 1072465410 /nfs/dbraw/zinc/46/54/10/1072465410.db2.gz GPOSYTUWGYWAKU-INIZCTEOSA-N 0 3 445.528 -0.969 20 0 IBADHN COCCN(C)CCN1C[C@H](NC(=O)C2CCN(c3ccc4nnnn4n3)CC2)CC1=O ZINC000571904464 1072465325 /nfs/dbraw/zinc/46/53/25/1072465325.db2.gz GPOSYTUWGYWAKU-MRXNPFEDSA-N 0 3 445.528 -0.969 20 0 IBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)CNS(=O)(=O)c2c[nH]c3ncccc23)CC1 ZINC000571946624 1072465970 /nfs/dbraw/zinc/46/59/70/1072465970.db2.gz FZZDUHBROHTUHF-HNNXBMFYSA-N 0 3 434.522 -0.394 20 0 IBADHN C[N@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)CNS(=O)(=O)c2c[n-]c3ncccc23)CC1 ZINC000571946624 1072465966 /nfs/dbraw/zinc/46/59/66/1072465966.db2.gz FZZDUHBROHTUHF-HNNXBMFYSA-N 0 3 434.522 -0.394 20 0 IBADHN C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)CNS(=O)(=O)c2c[n-]c3ncccc23)CC1 ZINC000571946624 1072465962 /nfs/dbraw/zinc/46/59/62/1072465962.db2.gz FZZDUHBROHTUHF-HNNXBMFYSA-N 0 3 434.522 -0.394 20 0 IBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)CNS(=O)(=O)c2c[nH]c3ncccc23)CC1 ZINC000571946625 1072465928 /nfs/dbraw/zinc/46/59/28/1072465928.db2.gz FZZDUHBROHTUHF-OAHLLOKOSA-N 0 3 434.522 -0.394 20 0 IBADHN C[N@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)CNS(=O)(=O)c2c[n-]c3ncccc23)CC1 ZINC000571946625 1072465924 /nfs/dbraw/zinc/46/59/24/1072465924.db2.gz FZZDUHBROHTUHF-OAHLLOKOSA-N 0 3 434.522 -0.394 20 0 IBADHN C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)CNS(=O)(=O)c2c[n-]c3ncccc23)CC1 ZINC000571946625 1072465919 /nfs/dbraw/zinc/46/59/19/1072465919.db2.gz FZZDUHBROHTUHF-OAHLLOKOSA-N 0 3 434.522 -0.394 20 0 IBADHN CC1CCN(CCNC(=O)C(=O)N2CCN(S(=O)(=O)Cc3ccon3)CC2)CC1 ZINC000572062664 1072467536 /nfs/dbraw/zinc/46/75/36/1072467536.db2.gz BLAKPYLVQLTFBZ-UHFFFAOYSA-N 0 3 427.527 -0.503 20 0 IBADHN CCOC(=O)c1ccc(N2CCN(c3nc(NCCO)nc(NC(C)C)n3)CC2)nc1 ZINC000572192467 1072468691 /nfs/dbraw/zinc/46/86/91/1072468691.db2.gz HTGCVHQKWJAHQU-UHFFFAOYSA-N 0 3 430.513 -0.162 20 0 IBADHN CC(C)N1CCCN(C(=O)C(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)CC1 ZINC000572267619 1072956383 /nfs/dbraw/zinc/95/63/83/1072956383.db2.gz RBWHNHLIYHYRBT-UHFFFAOYSA-N 0 3 431.541 -0.426 20 0 IBADHN Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)N(C)CCCN2CCN(C)CC2)s1 ZINC000572280035 1072184476 /nfs/dbraw/zinc/18/44/76/1072184476.db2.gz DZFPRTMDTDOSBG-UHFFFAOYSA-N 0 3 445.611 -0.453 20 0 IBADHN CC(C)[C@@H](CNC(=O)C(=O)Nc1ncn(CC(=O)N(C)C)n1)N1CCc2ccccc2C1 ZINC000572396246 1072471562 /nfs/dbraw/zinc/47/15/62/1072471562.db2.gz KDVLWVMCSWSBAR-GOSISDBHSA-N 0 3 441.536 0.504 20 0 IBADHN CC(C)[C@H](CNC(=O)C(=O)Nc1ncn(CC(=O)N(C)C)n1)N1CCc2ccccc2C1 ZINC000572396247 1073320436 /nfs/dbraw/zinc/32/04/36/1073320436.db2.gz KDVLWVMCSWSBAR-SFHVURJKSA-N 0 3 441.536 0.504 20 0 IBADHN COC1CCN(C(C)(C)CNC(=O)C(=O)N2CCN(c3nccn(C)c3=O)CC2)CC1 ZINC000572432431 1072472085 /nfs/dbraw/zinc/47/20/85/1072472085.db2.gz COJZSXRBSSBUCI-UHFFFAOYSA-N 0 3 434.541 -0.566 20 0 IBADHN COc1ccc(S(=O)(=O)N2CCN(C(=O)CNC(C)(C)CC(N)=O)CC2)cc1OC ZINC000572444965 1072472856 /nfs/dbraw/zinc/47/28/56/1072472856.db2.gz MPXFHCSZHGJKPN-UHFFFAOYSA-N 0 3 442.538 -0.220 20 0 IBADHN CNC(=O)[C@@H]1CN(C(=O)C(=O)NCCCCN2CCN(c3cccc(C)c3)CC2)CCO1 ZINC000572468214 1072186144 /nfs/dbraw/zinc/18/61/44/1072186144.db2.gz DHMXZRADORLIEG-FQEVSTJZSA-N 0 3 445.564 -0.013 20 0 IBADHN CNC(=O)[C@H]1CN(C(=O)C(=O)NCCCCN2CCN(c3cccc(C)c3)CC2)CCO1 ZINC000572468215 1072186081 /nfs/dbraw/zinc/18/60/81/1072186081.db2.gz DHMXZRADORLIEG-HXUWFJFHSA-N 0 3 445.564 -0.013 20 0 IBADHN Cc1cccc(N2CCN(CCCCNC(=O)C(=O)N3CCO[C@H](C(N)=O)C3)CC2)c1 ZINC000572904557 1072478142 /nfs/dbraw/zinc/47/81/42/1072478142.db2.gz FSYFQLPEVAIBGW-IBGZPJMESA-N 0 3 431.537 -0.274 20 0 IBADHN Cc1cccc(N2CCN(CCCCNC(=O)C(=O)N3CCO[C@@H](C(N)=O)C3)CC2)c1 ZINC000572904558 1072478178 /nfs/dbraw/zinc/47/81/78/1072478178.db2.gz FSYFQLPEVAIBGW-LJQANCHMSA-N 0 3 431.537 -0.274 20 0 IBADHN COc1cnccc1N1CCN(C(=O)C(=O)NCC(=O)N(C)CCc2ccccn2)CC1 ZINC000572908096 1072478762 /nfs/dbraw/zinc/47/87/62/1072478762.db2.gz RZGVEBLUYRCHLH-UHFFFAOYSA-N 0 3 440.504 -0.049 20 0 IBADHN O=C(CN1CCCC1)N1CCN(C(=O)C(=O)NCCN2CCc3ccccc3C2)CC1 ZINC000573028252 1072481588 /nfs/dbraw/zinc/48/15/88/1072481588.db2.gz KTRZPFYCOBBUON-UHFFFAOYSA-N 0 3 427.549 -0.073 20 0 IBADHN Cc1csc(N2CCN(C(=O)C(=O)NCCCCN3CCN(CCO)CC3)CC2)n1 ZINC000573120749 1072226496 /nfs/dbraw/zinc/22/64/96/1072226496.db2.gz CXFNIZLMDUJRDW-UHFFFAOYSA-N 0 3 438.598 -0.394 20 0 IBADHN CN(C)[C@H]1CN(CC(=O)N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)C[C@@H]1O ZINC000573164638 1072227433 /nfs/dbraw/zinc/22/74/33/1072227433.db2.gz IUXHSFPNPOKJCQ-STQMWFEESA-N 0 3 436.987 -0.159 20 0 IBADHN N[C@@H]1C[C@@H]2CN(CC(=O)N(Cc3cccs3)[C@@H]3CCS(=O)(=O)C3)CCN2C1=O ZINC000573386464 1072232084 /nfs/dbraw/zinc/23/20/84/1072232084.db2.gz BMSOANAKJOCEMW-IIAWOOMASA-N 0 3 426.564 -0.492 20 0 IBADHN N[C@@H]1C[C@H]2CN(CC(=O)N(Cc3cccs3)[C@@H]3CCS(=O)(=O)C3)CCN2C1=O ZINC000573386465 1072231921 /nfs/dbraw/zinc/23/19/21/1072231921.db2.gz BMSOANAKJOCEMW-IJEWVQPXSA-N 0 3 426.564 -0.492 20 0 IBADHN N[C@@H]1C[C@H]2CN(CC(=O)N(Cc3cccs3)[C@H]3CCS(=O)(=O)C3)CCN2C1=O ZINC000573386466 1072232071 /nfs/dbraw/zinc/23/20/71/1072232071.db2.gz BMSOANAKJOCEMW-OFQRWUPVSA-N 0 3 426.564 -0.492 20 0 IBADHN N[C@@H]1C[C@@H]2CN(CC(=O)N(Cc3cccs3)[C@H]3CCS(=O)(=O)C3)CCN2C1=O ZINC000573386467 1072231876 /nfs/dbraw/zinc/23/18/76/1072231876.db2.gz BMSOANAKJOCEMW-SQWLQELKSA-N 0 3 426.564 -0.492 20 0 IBADHN C[C@H](CN(C)Cc1ccccc1)NC(=O)C(=O)Nc1ccn(CC(=O)N2CCOCC2)n1 ZINC000573405188 1073309827 /nfs/dbraw/zinc/30/98/27/1073309827.db2.gz SSXYRJKRRDWPRJ-QGZVFWFLSA-N 0 3 442.520 0.317 20 0 IBADHN CCN(C(=O)CN1C[C@H](O)[C@@H](N(C)C)C1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000573428574 1072232014 /nfs/dbraw/zinc/23/20/14/1072232014.db2.gz BYMSLONMUXZFCU-HOTGVXAUSA-N 0 3 430.509 -0.461 20 0 IBADHN Cn1cc([C@H](CO)Nc2nc(N[C@H](CO)c3cnn(C)c3)nc(NC(C)(C)C)n2)cn1 ZINC000573431321 1072485562 /nfs/dbraw/zinc/48/55/62/1072485562.db2.gz CHKCFVFJRNBUES-GASCZTMLSA-N 0 3 430.517 -0.316 20 0 IBADHN CN1CCN(C(=O)CCNC(=O)C(=O)NCc2ccccc2CN2CCC(O)CC2)CC1 ZINC000573464807 1072486250 /nfs/dbraw/zinc/48/62/50/1072486250.db2.gz WECLMDFHLFHHCC-UHFFFAOYSA-N 0 3 445.564 -0.460 20 0 IBADHN CC(C)N1CCN([C@@H]2CCN(C(=O)C(=O)N[C@H]3CCN(c4cnn(C)c4)C3=O)C2)CC1 ZINC000573472823 1072486155 /nfs/dbraw/zinc/48/61/55/1072486155.db2.gz NKAGQXZWKYFLQF-AEFFLSMTSA-N 0 3 431.541 -0.732 20 0 IBADHN CC(C)N1CCN([C@H]2CCN(C(=O)C(=O)N[C@@H]3CCN(c4cnn(C)c4)C3=O)C2)CC1 ZINC000573472824 1072486354 /nfs/dbraw/zinc/48/63/54/1072486354.db2.gz NKAGQXZWKYFLQF-FUHWJXTLSA-N 0 3 431.541 -0.732 20 0 IBADHN CC(C)N1CCN([C@@H]2CCN(C(=O)C(=O)N[C@@H]3CCN(c4cnn(C)c4)C3=O)C2)CC1 ZINC000573472825 1072486332 /nfs/dbraw/zinc/48/63/32/1072486332.db2.gz NKAGQXZWKYFLQF-SJLPKXTDSA-N 0 3 431.541 -0.732 20 0 IBADHN CC(C)N1CCN([C@H]2CCN(C(=O)C(=O)N[C@H]3CCN(c4cnn(C)c4)C3=O)C2)CC1 ZINC000573472826 1072486226 /nfs/dbraw/zinc/48/62/26/1072486226.db2.gz NKAGQXZWKYFLQF-WMZOPIPTSA-N 0 3 431.541 -0.732 20 0 IBADHN CN(CCN(C)C1CC1)C(=O)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000573509767 1072237908 /nfs/dbraw/zinc/23/79/08/1072237908.db2.gz RXPFEUVCESPEES-UHFFFAOYSA-N 0 3 438.550 -0.124 20 0 IBADHN Cc1cc(N2CCC[C@@H](NC(=O)C(=O)N3CCN(C(=O)CN4CCCC4)CC3)C2)n(C)n1 ZINC000573527427 1072238370 /nfs/dbraw/zinc/23/83/70/1072238370.db2.gz YBMZZHBHFZCPCD-GOSISDBHSA-N 0 3 445.568 -0.420 20 0 IBADHN Cc1cc(N2CCC[C@H](NC(=O)C(=O)N3CCN(C(=O)CN4CCCC4)CC3)C2)n(C)n1 ZINC000573527428 1072238351 /nfs/dbraw/zinc/23/83/51/1072238351.db2.gz YBMZZHBHFZCPCD-SFHVURJKSA-N 0 3 445.568 -0.420 20 0 IBADHN CC(C)Nc1nc(NCCO)nc(N2CCN(C(=O)COc3ccc(F)cc3)CC2)n1 ZINC000573587784 1072238834 /nfs/dbraw/zinc/23/88/34/1072238834.db2.gz TZNDYSQZTGJGAE-UHFFFAOYSA-N 0 3 433.488 -0.193 20 0 IBADHN COCCN1CCCN(C(=O)C(=O)NCc2ccccc2CN2CCC(O)CC2)CC1=O ZINC000573598341 1072487456 /nfs/dbraw/zinc/48/74/56/1072487456.db2.gz XUPLWLVIYWKYNF-UHFFFAOYSA-N 0 3 446.548 -0.033 20 0 IBADHN CC(C)(C(N)=O)N1CCN(C(=O)C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)CC1 ZINC000573599683 1072239463 /nfs/dbraw/zinc/23/94/63/1072239463.db2.gz NQTIDMFNBJBHLR-IBGZPJMESA-N 0 3 445.564 -0.198 20 0 IBADHN CC(C)(C(N)=O)N1CCN(C(=O)C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)CC1 ZINC000573599684 1072239688 /nfs/dbraw/zinc/23/96/88/1072239688.db2.gz NQTIDMFNBJBHLR-LJQANCHMSA-N 0 3 445.564 -0.198 20 0 IBADHN CS(=O)(=O)c1ccc(CNC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)s1 ZINC000573715337 1072488819 /nfs/dbraw/zinc/48/88/19/1072488819.db2.gz OXJBGTDOYFBPQZ-UHFFFAOYSA-N 0 3 442.563 -0.466 20 0 IBADHN CN(Cc1cccnc1)C[C@@H]1CCN(C(=O)C(=O)NCCNC(=O)c2cnccn2)C1 ZINC000573825840 1072241767 /nfs/dbraw/zinc/24/17/67/1072241767.db2.gz KHVCBQNFRDAUMA-KRWDZBQOSA-N 0 3 425.493 -0.302 20 0 IBADHN CN(Cc1cccnc1)C[C@H]1CCN(C(=O)C(=O)NCCNC(=O)c2cnccn2)C1 ZINC000573825852 1072241623 /nfs/dbraw/zinc/24/16/23/1072241623.db2.gz KHVCBQNFRDAUMA-QGZVFWFLSA-N 0 3 425.493 -0.302 20 0 IBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N[C@@H]2CCCN(c3cccnc3)C2=O)CC1 ZINC000573930006 1072491477 /nfs/dbraw/zinc/49/14/77/1072491477.db2.gz VJILGRZMHIUBLY-GOSISDBHSA-N 0 3 444.536 -0.294 20 0 IBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N[C@H]2CCCN(c3cccnc3)C2=O)CC1 ZINC000573930007 1072491375 /nfs/dbraw/zinc/49/13/75/1072491375.db2.gz VJILGRZMHIUBLY-SFHVURJKSA-N 0 3 444.536 -0.294 20 0 IBADHN CCOC(=O)c1c(C)c(C(=O)NC)sc1NC(=O)CN1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000573935042 1072491436 /nfs/dbraw/zinc/49/14/36/1072491436.db2.gz BCWMNAMDTPWGHX-NEPJUHHUSA-N 0 3 437.522 -0.225 20 0 IBADHN CCOC(=O)c1c(C)c(C(=O)NC)sc1NC(=O)CN1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000573935044 1072491825 /nfs/dbraw/zinc/49/18/25/1072491825.db2.gz BCWMNAMDTPWGHX-NWDGAFQWSA-N 0 3 437.522 -0.225 20 0 IBADHN CCOC(=O)c1c(C)c(C(=O)NC)sc1NC(=O)CN1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000573935045 1072491887 /nfs/dbraw/zinc/49/18/87/1072491887.db2.gz BCWMNAMDTPWGHX-RYUDHWBXSA-N 0 3 437.522 -0.225 20 0 IBADHN CCOC(=O)c1c(C)c(C(=O)NC)sc1NC(=O)CN1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000573935046 1072491880 /nfs/dbraw/zinc/49/18/80/1072491880.db2.gz BCWMNAMDTPWGHX-VXGBXAGGSA-N 0 3 437.522 -0.225 20 0 IBADHN CCN(CC)C(=O)CN1CCCN(C(=O)C(=O)NCCCCN2CCN(C)CC2)CC1 ZINC000574104690 1072251660 /nfs/dbraw/zinc/25/16/60/1072251660.db2.gz FVJRLCHRFSPPIC-UHFFFAOYSA-N 0 3 438.617 -0.467 20 0 IBADHN O=C(CN1CCCC1)N1CCN(C(=O)C(=O)NCc2ncnn2-c2ccccc2)CC1 ZINC000574122223 1072493890 /nfs/dbraw/zinc/49/38/90/1072493890.db2.gz QFAPZLPSIPMYJO-UHFFFAOYSA-N 0 3 425.493 -0.350 20 0 IBADHN CCN1CCCC[C@@H]1CNC(=O)C(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 ZINC000574143513 1072251627 /nfs/dbraw/zinc/25/16/27/1072251627.db2.gz VVMPGYDYPGBYCG-GOSISDBHSA-N 0 3 429.521 -0.135 20 0 IBADHN CCN1CCCC[C@H]1CNC(=O)C(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 ZINC000574143515 1072251473 /nfs/dbraw/zinc/25/14/73/1072251473.db2.gz VVMPGYDYPGBYCG-SFHVURJKSA-N 0 3 429.521 -0.135 20 0 IBADHN N[C@H]1C[C@H]2CN(S(=O)(=O)c3ccccc3S(=O)(=O)N3CCCC3)CCN2C1=O ZINC000574220868 1072252046 /nfs/dbraw/zinc/25/20/46/1072252046.db2.gz QLLKFHSHWKLVRL-KBPBESRZSA-N 0 3 428.536 -0.596 20 0 IBADHN N[C@H]1C[C@@H]2CN(S(=O)(=O)c3ccccc3S(=O)(=O)N3CCCC3)CCN2C1=O ZINC000574220870 1072252358 /nfs/dbraw/zinc/25/23/58/1072252358.db2.gz QLLKFHSHWKLVRL-KGLIPLIRSA-N 0 3 428.536 -0.596 20 0 IBADHN N[C@@H]1C[C@H]2CN(S(=O)(=O)c3ccccc3S(=O)(=O)N3CCCC3)CCN2C1=O ZINC000574220872 1072252334 /nfs/dbraw/zinc/25/23/34/1072252334.db2.gz QLLKFHSHWKLVRL-UONOGXRCSA-N 0 3 428.536 -0.596 20 0 IBADHN N[C@@H]1C[C@@H]2CN(S(=O)(=O)c3ccccc3S(=O)(=O)N3CCCC3)CCN2C1=O ZINC000574220874 1072252293 /nfs/dbraw/zinc/25/22/93/1072252293.db2.gz QLLKFHSHWKLVRL-ZIAGYGMSSA-N 0 3 428.536 -0.596 20 0 IBADHN Cc1nc(CN2CCN(C(=O)C(=O)NCCCN3CCC[C@@H]3C(=O)N(C)C)CC2)oc1C ZINC000574226544 1072252793 /nfs/dbraw/zinc/25/27/93/1072252793.db2.gz LKKJHNHQRYIDEB-GOSISDBHSA-N 0 3 448.568 -0.005 20 0 IBADHN Cc1nc(CN2CCN(C(=O)C(=O)NCCCN3CCC[C@H]3C(=O)N(C)C)CC2)oc1C ZINC000574226545 1072252859 /nfs/dbraw/zinc/25/28/59/1072252859.db2.gz LKKJHNHQRYIDEB-SFHVURJKSA-N 0 3 448.568 -0.005 20 0 IBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NC2CCN(c3ccccn3)CC2)CC1 ZINC000574297968 1072255997 /nfs/dbraw/zinc/25/59/97/1072255997.db2.gz LFJNEISOXNDVLJ-GOSISDBHSA-N 0 3 428.537 -0.068 20 0 IBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NC2CCN(c3ccccn3)CC2)CC1 ZINC000574297969 1072495995 /nfs/dbraw/zinc/49/59/95/1072495995.db2.gz LFJNEISOXNDVLJ-SFHVURJKSA-N 0 3 428.537 -0.068 20 0 IBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N[C@@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000574303853 1072496781 /nfs/dbraw/zinc/49/67/81/1072496781.db2.gz LHVJZUHPMSLNHB-MSOLQXFVSA-N 0 3 427.505 -0.327 20 0 IBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N[C@@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000574303854 1072496879 /nfs/dbraw/zinc/49/68/79/1072496879.db2.gz LHVJZUHPMSLNHB-QZTJIDSGSA-N 0 3 427.505 -0.327 20 0 IBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N[C@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000574303855 1072496692 /nfs/dbraw/zinc/49/66/92/1072496692.db2.gz LHVJZUHPMSLNHB-ROUUACIJSA-N 0 3 427.505 -0.327 20 0 IBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N[C@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000574303856 1072496858 /nfs/dbraw/zinc/49/68/58/1072496858.db2.gz LHVJZUHPMSLNHB-ZWKOTPCHSA-N 0 3 427.505 -0.327 20 0 IBADHN COCCN(C)CCN1C[C@@H](NC(=O)c2ccc(CN3C(=O)CNC3=O)cc2)CC1=O ZINC000574558507 1072500037 /nfs/dbraw/zinc/50/00/37/1072500037.db2.gz IFUJGVJNMLPSIR-KRWDZBQOSA-N 0 3 431.493 -0.353 20 0 IBADHN COCCN(C)CCN1C[C@H](NC(=O)c2ccc(CN3C(=O)CNC3=O)cc2)CC1=O ZINC000574558508 1072499951 /nfs/dbraw/zinc/49/99/51/1072499951.db2.gz IFUJGVJNMLPSIR-QGZVFWFLSA-N 0 3 431.493 -0.353 20 0 IBADHN Cn1cnc2c1c(=O)n(CCCN1CCC[C@@H](CNS(=O)(=O)C3CC3)C1)c(=O)n2C ZINC000574602228 1072500467 /nfs/dbraw/zinc/50/04/67/1072500467.db2.gz VILFJTHNKOKMQL-AWEZNQCLSA-N 0 3 438.554 -0.382 20 0 IBADHN Cn1cnc2c1c(=O)n(CCCN1CCC[C@H](CNS(=O)(=O)C3CC3)C1)c(=O)n2C ZINC000574602229 1072500552 /nfs/dbraw/zinc/50/05/52/1072500552.db2.gz VILFJTHNKOKMQL-CQSZACIVSA-N 0 3 438.554 -0.382 20 0 IBADHN Cc1cc(S(N)(=O)=O)cc(NC(=O)C(=O)NC[C@@H](C)CN2CCN(C)CC2)c1C ZINC000574627231 1072262418 /nfs/dbraw/zinc/26/24/18/1072262418.db2.gz OVYGDOZDMIJWSJ-CYBMUJFWSA-N 0 3 425.555 -0.111 20 0 IBADHN Cc1cc(S(N)(=O)=O)cc(NC(=O)C(=O)NC[C@H](C)CN2CCN(C)CC2)c1C ZINC000574627232 1072262360 /nfs/dbraw/zinc/26/23/60/1072262360.db2.gz OVYGDOZDMIJWSJ-ZDUSSCGKSA-N 0 3 425.555 -0.111 20 0 IBADHN C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)N3CCN4C(=O)[C@H](N)C[C@H]4C3)c2)C[C@@H](C)O1 ZINC000574652792 1072500792 /nfs/dbraw/zinc/50/07/92/1072500792.db2.gz YMFJNLGJITUCRO-AHEZYBDSSA-N 0 3 436.534 -0.132 20 0 IBADHN C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)N3CCN4C(=O)[C@H](N)C[C@@H]4C3)c2)C[C@H](C)O1 ZINC000574652793 1072500943 /nfs/dbraw/zinc/50/09/43/1072500943.db2.gz YMFJNLGJITUCRO-CXHZTBPHSA-N 0 3 436.534 -0.132 20 0 IBADHN C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)N3CCN4C(=O)[C@H](N)C[C@@H]4C3)c2)C[C@@H](C)O1 ZINC000574652794 1072501043 /nfs/dbraw/zinc/50/10/43/1072501043.db2.gz YMFJNLGJITUCRO-GZOSKZMVSA-N 0 3 436.534 -0.132 20 0 IBADHN C[C@@H]1CN(S(=O)(=O)c2cccc(C(=O)N3CCN4C(=O)[C@H](N)C[C@H]4C3)c2)C[C@H](C)O1 ZINC000574652795 1072501054 /nfs/dbraw/zinc/50/10/54/1072501054.db2.gz YMFJNLGJITUCRO-JSSFPYSZSA-N 0 3 436.534 -0.132 20 0 IBADHN CC[C@H](C)NC(=O)CN1CCN(C(=O)C(=O)NC[C@@H](C)CN2CCN(CC)CC2)CC1 ZINC000574658117 1072500757 /nfs/dbraw/zinc/50/07/57/1072500757.db2.gz VLKPPUPRRNIKIH-MOPGFXCFSA-N 0 3 438.617 -0.565 20 0 IBADHN CC[C@H](C)NC(=O)CN1CCN(C(=O)C(=O)NC[C@H](C)CN2CCN(CC)CC2)CC1 ZINC000574658118 1072500977 /nfs/dbraw/zinc/50/09/77/1072500977.db2.gz VLKPPUPRRNIKIH-OALUTQOASA-N 0 3 438.617 -0.565 20 0 IBADHN CC[C@@H](C)NC(=O)CN1CCN(C(=O)C(=O)NC[C@H](C)CN2CCN(CC)CC2)CC1 ZINC000574658119 1072500872 /nfs/dbraw/zinc/50/08/72/1072500872.db2.gz VLKPPUPRRNIKIH-RBUKOAKNSA-N 0 3 438.617 -0.565 20 0 IBADHN CC[C@@H](C)NC(=O)CN1CCN(C(=O)C(=O)NC[C@@H](C)CN2CCN(CC)CC2)CC1 ZINC000574658120 1072501014 /nfs/dbraw/zinc/50/10/14/1072501014.db2.gz VLKPPUPRRNIKIH-RTBURBONSA-N 0 3 438.617 -0.565 20 0 IBADHN CCOC(=O)c1ccc(N2CC(NC(=O)C(=O)N(C)CCCN3CCN(C)CC3)C2)nc1 ZINC000574673568 1072501585 /nfs/dbraw/zinc/50/15/85/1072501585.db2.gz PKEMUNCVKHXIQI-UHFFFAOYSA-N 0 3 446.552 -0.341 20 0 IBADHN CC(=O)c1cccc(S(=O)(=O)NCC(=O)N2CCN(C(=O)CN3CCCC3)CC2)c1 ZINC000574681519 1072501374 /nfs/dbraw/zinc/50/13/74/1072501374.db2.gz VYQJEDLARBBFCG-UHFFFAOYSA-N 0 3 436.534 -0.066 20 0 IBADHN N[C@H]1C[C@H]2CN(CC(=O)N3CCC(NC(=O)CCc4ccccc4)CC3)CCN2C1=O ZINC000574705382 1072501545 /nfs/dbraw/zinc/50/15/45/1072501545.db2.gz YWDRSKJSXZSBKF-PMACEKPBSA-N 0 3 427.549 -0.030 20 0 IBADHN N[C@H]1C[C@@H]2CN(CC(=O)N3CCC(NC(=O)CCc4ccccc4)CC3)CCN2C1=O ZINC000574705383 1072501517 /nfs/dbraw/zinc/50/15/17/1072501517.db2.gz YWDRSKJSXZSBKF-UXHICEINSA-N 0 3 427.549 -0.030 20 0 IBADHN N[C@@H]1C[C@H]2CN(CC(=O)N3CCC(NC(=O)CCc4ccccc4)CC3)CCN2C1=O ZINC000574705384 1072501474 /nfs/dbraw/zinc/50/14/74/1072501474.db2.gz YWDRSKJSXZSBKF-VQTJNVASSA-N 0 3 427.549 -0.030 20 0 IBADHN N[C@@H]1C[C@@H]2CN(CC(=O)N3CCC(NC(=O)CCc4ccccc4)CC3)CCN2C1=O ZINC000574705385 1072501551 /nfs/dbraw/zinc/50/15/51/1072501551.db2.gz YWDRSKJSXZSBKF-WOJBJXKFSA-N 0 3 427.549 -0.030 20 0 IBADHN CC(C)CN1CCO[C@@H](CNC(=O)C(=O)NCc2ccnc(N3CCN(C)CC3)c2)C1 ZINC000574708111 1072501860 /nfs/dbraw/zinc/50/18/60/1072501860.db2.gz VCJMJZSEEAMWFZ-IBGZPJMESA-N 0 3 432.569 -0.077 20 0 IBADHN CC(C)CN1CCO[C@H](CNC(=O)C(=O)NCc2ccnc(N3CCN(C)CC3)c2)C1 ZINC000574708113 1072502040 /nfs/dbraw/zinc/50/20/40/1072502040.db2.gz VCJMJZSEEAMWFZ-LJQANCHMSA-N 0 3 432.569 -0.077 20 0 IBADHN CC(C)Nc1nc(NCCO)nc(NCCNC(=O)c2ccc(Br)cc2)n1 ZINC000574780258 1072502429 /nfs/dbraw/zinc/50/24/29/1072502429.db2.gz IQIHUCZWQLDHJE-UHFFFAOYSA-N 0 3 438.330 -0.034 20 0 IBADHN O=C(NCCNS(=O)(=O)Cc1ccon1)C(=O)N1CCCN(C2CCCC2)CC1 ZINC000574792986 1072503047 /nfs/dbraw/zinc/50/30/47/1072503047.db2.gz NWUPSISCYNDAMO-UHFFFAOYSA-N 0 3 427.527 -0.313 20 0 IBADHN COc1c(C(=O)N(C)C)cc(Cl)cc1S(=O)(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000574824404 1072266278 /nfs/dbraw/zinc/26/62/78/1072266278.db2.gz UYHUYAIAYJEUAJ-AAEUAGOBSA-N 0 3 430.914 -0.017 20 0 IBADHN COc1c(C(=O)N(C)C)cc(Cl)cc1S(=O)(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000574824407 1072266393 /nfs/dbraw/zinc/26/63/93/1072266393.db2.gz UYHUYAIAYJEUAJ-DGCLKSJQSA-N 0 3 430.914 -0.017 20 0 IBADHN COc1c(C(=O)N(C)C)cc(Cl)cc1S(=O)(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000574824409 1072266415 /nfs/dbraw/zinc/26/64/15/1072266415.db2.gz UYHUYAIAYJEUAJ-WCQYABFASA-N 0 3 430.914 -0.017 20 0 IBADHN COc1c(C(=O)N(C)C)cc(Cl)cc1S(=O)(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000574824410 1072266370 /nfs/dbraw/zinc/26/63/70/1072266370.db2.gz UYHUYAIAYJEUAJ-YPMHNXCESA-N 0 3 430.914 -0.017 20 0 IBADHN CC(C)Nc1nc(NCCO)nc(NCc2ccc(C(=O)N3CCN(C)CC3)cc2)n1 ZINC000574949273 1072504183 /nfs/dbraw/zinc/50/41/83/1072504183.db2.gz SOWYDMNRUUQAMQ-UHFFFAOYSA-N 0 3 428.541 -0.639 20 0 IBADHN COCc1nc2n(n1)C[C@@H](NC(=O)C(=O)N1CCN(c3ccncc3OC)CC1)CC2 ZINC000575093395 1072270123 /nfs/dbraw/zinc/27/01/23/1072270123.db2.gz QZBQXNBLNVZHBT-AWEZNQCLSA-N 0 3 429.481 -0.392 20 0 IBADHN COCc1nc2n(n1)C[C@H](NC(=O)C(=O)N1CCN(c3ccncc3OC)CC1)CC2 ZINC000575093396 1072270201 /nfs/dbraw/zinc/27/02/01/1072270201.db2.gz QZBQXNBLNVZHBT-CQSZACIVSA-N 0 3 429.481 -0.392 20 0 IBADHN COCCN(C)CCN1C[C@@H](NC(=O)c2ccc(S(=O)(=O)N(C)C)nc2)CC1=O ZINC000575219046 1072270686 /nfs/dbraw/zinc/27/06/86/1072270686.db2.gz QXUVZHWYCFJWQE-HNNXBMFYSA-N 0 3 427.527 -0.759 20 0 IBADHN COCCN(C)CCN1C[C@H](NC(=O)c2ccc(S(=O)(=O)N(C)C)nc2)CC1=O ZINC000575219047 1072270881 /nfs/dbraw/zinc/27/08/81/1072270881.db2.gz QXUVZHWYCFJWQE-OAHLLOKOSA-N 0 3 427.527 -0.759 20 0 IBADHN COC1CCN(C(C)(C)CNC(=O)C(=O)N2CCN(CCC(=O)N(C)C)CC2)CC1 ZINC000575347030 1072507678 /nfs/dbraw/zinc/50/76/78/1072507678.db2.gz GNPLSMKZAZJCKP-UHFFFAOYSA-N 0 3 425.574 -0.386 20 0 IBADHN N[C@@H]1C[C@H]2CN(C(=O)CCNS(=O)(=O)c3cccc(Br)c3)CCN2C1=O ZINC000575762906 1072509763 /nfs/dbraw/zinc/50/97/63/1072509763.db2.gz KKJZGZPKOCRSSJ-GXTWGEPZSA-N 0 3 445.339 -0.112 20 0 IBADHN N[C@H]1C[C@H]2CN(C(=O)CCNS(=O)(=O)c3cccc(Br)c3)CCN2C1=O ZINC000575762907 1072509603 /nfs/dbraw/zinc/50/96/03/1072509603.db2.gz KKJZGZPKOCRSSJ-JSGCOSHPSA-N 0 3 445.339 -0.112 20 0 IBADHN N[C@H]1C[C@@H]2CN(C(=O)CCNS(=O)(=O)c3cccc(Br)c3)CCN2C1=O ZINC000575762908 1072509686 /nfs/dbraw/zinc/50/96/86/1072509686.db2.gz KKJZGZPKOCRSSJ-OCCSQVGLSA-N 0 3 445.339 -0.112 20 0 IBADHN N[C@@H]1C[C@@H]2CN(C(=O)CCNS(=O)(=O)c3cccc(Br)c3)CCN2C1=O ZINC000575762909 1072509746 /nfs/dbraw/zinc/50/97/46/1072509746.db2.gz KKJZGZPKOCRSSJ-TZMCWYRMSA-N 0 3 445.339 -0.112 20 0 IBADHN C[C@H](CNC(=O)C(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1)N1CCC(C)CC1 ZINC000575890236 1072511773 /nfs/dbraw/zinc/51/17/73/1072511773.db2.gz HZQKKHUZZSRCIR-MSOLQXFVSA-N 0 3 444.598 -0.124 20 0 IBADHN C[C@H](CNC(=O)C(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1)N1CCC(C)CC1 ZINC000575890237 1072511878 /nfs/dbraw/zinc/51/18/78/1072511878.db2.gz HZQKKHUZZSRCIR-QZTJIDSGSA-N 0 3 444.598 -0.124 20 0 IBADHN C[C@@H](CNC(=O)C(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1)N1CCC(C)CC1 ZINC000575890238 1072511602 /nfs/dbraw/zinc/51/16/02/1072511602.db2.gz HZQKKHUZZSRCIR-ROUUACIJSA-N 0 3 444.598 -0.124 20 0 IBADHN C[C@@H](CNC(=O)C(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1)N1CCC(C)CC1 ZINC000575890239 1072511670 /nfs/dbraw/zinc/51/16/70/1072511670.db2.gz HZQKKHUZZSRCIR-ZWKOTPCHSA-N 0 3 444.598 -0.124 20 0 IBADHN COCCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC000575897496 1072511752 /nfs/dbraw/zinc/51/17/52/1072511752.db2.gz VKNLTCGNMAWDBQ-CEXWTWQISA-N 0 3 426.558 -0.450 20 0 IBADHN COCCO[C@@H]1COCC[C@@H]1NC(=O)C(=O)N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC000575897497 1072511861 /nfs/dbraw/zinc/51/18/61/1072511861.db2.gz VKNLTCGNMAWDBQ-GBESFXJTSA-N 0 3 426.558 -0.450 20 0 IBADHN COCCO[C@@H]1COCC[C@H]1NC(=O)C(=O)N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC000575897498 1072511733 /nfs/dbraw/zinc/51/17/33/1072511733.db2.gz VKNLTCGNMAWDBQ-GUDVDZBRSA-N 0 3 426.558 -0.450 20 0 IBADHN COCCO[C@@H]1COCC[C@H]1NC(=O)C(=O)N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC000575897499 1072512386 /nfs/dbraw/zinc/51/23/86/1072512386.db2.gz VKNLTCGNMAWDBQ-IPMKNSEASA-N 0 3 426.558 -0.450 20 0 IBADHN CCN1CCN(Cc2ccc(CNC(=O)C(=O)N3CCN4CCOC[C@@H]4C3)cc2)CC1 ZINC000576115157 1072515865 /nfs/dbraw/zinc/51/58/65/1072515865.db2.gz NHKNRUQIQMXYNU-NRFANRHFSA-N 0 3 429.565 -0.017 20 0 IBADHN CCN1CCN(Cc2ccc(CNC(=O)C(=O)N3CCN4CCOC[C@H]4C3)cc2)CC1 ZINC000576115158 1072516081 /nfs/dbraw/zinc/51/60/81/1072516081.db2.gz NHKNRUQIQMXYNU-OAQYLSRUSA-N 0 3 429.565 -0.017 20 0 IBADHN Cc1c(C(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cc(Br)cc1S(N)(=O)=O ZINC000576122629 1072516028 /nfs/dbraw/zinc/51/60/28/1072516028.db2.gz HRDZXCQGKIGODF-CMPLNLGQSA-N 0 3 431.312 -0.211 20 0 IBADHN Cc1c(C(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cc(Br)cc1S(N)(=O)=O ZINC000576122630 1072516139 /nfs/dbraw/zinc/51/61/39/1072516139.db2.gz HRDZXCQGKIGODF-JQWIXIFHSA-N 0 3 431.312 -0.211 20 0 IBADHN Cc1c(C(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cc(Br)cc1S(N)(=O)=O ZINC000576122631 1072516720 /nfs/dbraw/zinc/51/67/20/1072516720.db2.gz HRDZXCQGKIGODF-PWSUYJOCSA-N 0 3 431.312 -0.211 20 0 IBADHN Cc1c(C(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cc(Br)cc1S(N)(=O)=O ZINC000576122632 1072516710 /nfs/dbraw/zinc/51/67/10/1072516710.db2.gz HRDZXCQGKIGODF-ZYHUDNBSSA-N 0 3 431.312 -0.211 20 0 IBADHN CNC(=O)CN1CCC(NC(=O)C(=O)N(CCN(C)C)Cc2cccc(OC)c2)CC1 ZINC000576126947 1072516602 /nfs/dbraw/zinc/51/66/02/1072516602.db2.gz CWQNHSCUYKPHOB-UHFFFAOYSA-N 0 3 433.553 -0.088 20 0 IBADHN CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)N[C@H]1CC(=O)N(CCN(C)CCOC)C1 ZINC000576298739 1072519174 /nfs/dbraw/zinc/51/91/74/1072519174.db2.gz RWCNAOCDAZHHER-DLBZAZTESA-N 0 3 432.587 -0.124 20 0 IBADHN CCCS(=O)(=O)N1CCCC[C@@H]1C(=O)N[C@@H]1CC(=O)N(CCN(C)CCOC)C1 ZINC000576298740 1072519771 /nfs/dbraw/zinc/51/97/71/1072519771.db2.gz RWCNAOCDAZHHER-IAGOWNOFSA-N 0 3 432.587 -0.124 20 0 IBADHN CCCS(=O)(=O)N1CCCC[C@H]1C(=O)N[C@H]1CC(=O)N(CCN(C)CCOC)C1 ZINC000576298741 1072519954 /nfs/dbraw/zinc/51/99/54/1072519954.db2.gz RWCNAOCDAZHHER-IRXDYDNUSA-N 0 3 432.587 -0.124 20 0 IBADHN CCCS(=O)(=O)N1CCCC[C@H]1C(=O)N[C@@H]1CC(=O)N(CCN(C)CCOC)C1 ZINC000576298742 1072519820 /nfs/dbraw/zinc/51/98/20/1072519820.db2.gz RWCNAOCDAZHHER-SJORKVTESA-N 0 3 432.587 -0.124 20 0 IBADHN O=C(CN1CCCC1)N1CCN(C(=O)C(=O)N[C@@H]2CCN(CC(F)(F)F)C2=O)CC1 ZINC000576369369 1072520275 /nfs/dbraw/zinc/52/02/75/1072520275.db2.gz LHKHKGWLCJFUHL-CYBMUJFWSA-N 0 3 433.431 -0.968 20 0 IBADHN O=C(CN1CCCC1)N1CCN(C(=O)C(=O)N[C@H]2CCN(CC(F)(F)F)C2=O)CC1 ZINC000576369373 1072520446 /nfs/dbraw/zinc/52/04/46/1072520446.db2.gz LHKHKGWLCJFUHL-ZDUSSCGKSA-N 0 3 433.431 -0.968 20 0 IBADHN Cc1cc(CN2CCN(C(=O)C(=O)NCCCN3CCC[C@@H]3C(=O)N(C)C)CC2)on1 ZINC000576489030 1072522239 /nfs/dbraw/zinc/52/22/39/1072522239.db2.gz WCMNROAARUWGPH-GOSISDBHSA-N 0 3 434.541 -0.314 20 0 IBADHN Cc1cc(CN2CCN(C(=O)C(=O)NCCCN3CCC[C@H]3C(=O)N(C)C)CC2)on1 ZINC000576489032 1072522116 /nfs/dbraw/zinc/52/21/16/1072522116.db2.gz WCMNROAARUWGPH-SFHVURJKSA-N 0 3 434.541 -0.314 20 0 IBADHN CN(CCN(CCN1CCCCC1)C(=O)CN1CCOCC1)C(=O)CN1CCOCC1 ZINC000576663863 1072525391 /nfs/dbraw/zinc/52/53/91/1072525391.db2.gz HBXPSGHBRZJWGR-UHFFFAOYSA-N 0 3 439.601 -0.576 20 0 IBADHN COCCN(CCN(C)C)C(=O)C(=O)NCc1cccc(N2CCCS2(=O)=O)c1 ZINC000576666991 1072525354 /nfs/dbraw/zinc/52/53/54/1072525354.db2.gz AHGXCQQTLFOOAY-UHFFFAOYSA-N 0 3 426.539 -0.121 20 0 IBADHN COCCN(C)CCN1C[C@@H](NC(=O)c2ccc([C@@]3(C)NC(=O)NC3=O)cc2)CC1=O ZINC000576762637 1072527077 /nfs/dbraw/zinc/52/70/77/1072527077.db2.gz AWZVOFKXNVKQOX-HRAATJIYSA-N 0 3 431.493 -0.350 20 0 IBADHN COCCN(C)CCN1C[C@H](NC(=O)c2ccc([C@]3(C)NC(=O)NC3=O)cc2)CC1=O ZINC000576762639 1072527014 /nfs/dbraw/zinc/52/70/14/1072527014.db2.gz AWZVOFKXNVKQOX-IERDGZPVSA-N 0 3 431.493 -0.350 20 0 IBADHN COCCN(C)CCN1C[C@H](NC(=O)c2ccc([C@@]3(C)NC(=O)NC3=O)cc2)CC1=O ZINC000576762640 1072527226 /nfs/dbraw/zinc/52/72/26/1072527226.db2.gz AWZVOFKXNVKQOX-IIBYNOLFSA-N 0 3 431.493 -0.350 20 0 IBADHN COCCN(C)CCN1C[C@@H](NC(=O)c2ccc([C@]3(C)NC(=O)NC3=O)cc2)CC1=O ZINC000576762641 1072527189 /nfs/dbraw/zinc/52/71/89/1072527189.db2.gz AWZVOFKXNVKQOX-KKSFZXQISA-N 0 3 431.493 -0.350 20 0 IBADHN C[C@@H]1CCCN(CCNC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)ncn3)CC2)C1 ZINC000576893170 1072529712 /nfs/dbraw/zinc/52/97/12/1072529712.db2.gz YEOYPVVALNUZIX-GOSISDBHSA-N 0 3 445.568 -0.190 20 0 IBADHN C[C@H]1CCCN(CCNC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)ncn3)CC2)C1 ZINC000576893171 1072529575 /nfs/dbraw/zinc/52/95/75/1072529575.db2.gz YEOYPVVALNUZIX-SFHVURJKSA-N 0 3 445.568 -0.190 20 0 IBADHN COCCN1CC[C@@H](NC(=O)c2cc(S(=O)(=O)N[C@H]3CCN(CCOC)C3)c[nH]2)C1 ZINC000576931931 1072530985 /nfs/dbraw/zinc/53/09/85/1072530985.db2.gz BSRVSIAHPSQANK-CVEARBPZSA-N 0 3 443.570 -0.536 20 0 IBADHN COCCN1CC[C@H](NC(=O)c2cc(S(=O)(=O)N[C@H]3CCN(CCOC)C3)c[nH]2)C1 ZINC000576931940 1072530779 /nfs/dbraw/zinc/53/07/79/1072530779.db2.gz BSRVSIAHPSQANK-HOTGVXAUSA-N 0 3 443.570 -0.536 20 0 IBADHN COCCN1CC[C@@H](NC(=O)c2cc(S(=O)(=O)N[C@@H]3CCN(CCOC)C3)c[nH]2)C1 ZINC000576931941 1072530845 /nfs/dbraw/zinc/53/08/45/1072530845.db2.gz BSRVSIAHPSQANK-HZPDHXFCSA-N 0 3 443.570 -0.536 20 0 IBADHN COCCN1CC[C@@H](NS(=O)(=O)c2c[nH]c(C(=O)N[C@H]3CCN(CCOC)C3)c2)C1 ZINC000576931942 1072530686 /nfs/dbraw/zinc/53/06/86/1072530686.db2.gz BSRVSIAHPSQANK-JKSUJKDBSA-N 0 3 443.570 -0.536 20 0 IBADHN CCCS(=O)(=O)Nc1ccc(S(=O)(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cc1F ZINC000577076622 1072533028 /nfs/dbraw/zinc/53/30/28/1072533028.db2.gz BKIUMCQXCLZWOH-BXUZGUMPSA-N 0 3 434.515 -0.090 20 0 IBADHN CCCS(=O)(=O)Nc1ccc(S(=O)(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cc1F ZINC000577076630 1072532953 /nfs/dbraw/zinc/53/29/53/1072532953.db2.gz BKIUMCQXCLZWOH-FZMZJTMJSA-N 0 3 434.515 -0.090 20 0 IBADHN CCCS(=O)(=O)Nc1ccc(S(=O)(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cc1F ZINC000577076632 1072532837 /nfs/dbraw/zinc/53/28/37/1072532837.db2.gz BKIUMCQXCLZWOH-RISCZKNCSA-N 0 3 434.515 -0.090 20 0 IBADHN CCCS(=O)(=O)Nc1ccc(S(=O)(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cc1F ZINC000577076635 1072533055 /nfs/dbraw/zinc/53/30/55/1072533055.db2.gz BKIUMCQXCLZWOH-SMDDNHRTSA-N 0 3 434.515 -0.090 20 0 IBADHN COc1cc(C)c(CN2CCN(C(=O)CN3CCN4C(=O)[C@@H](N)C[C@@H]4C3)CC2)cc1OC ZINC000577077074 1072532917 /nfs/dbraw/zinc/53/29/17/1072532917.db2.gz GXQZUXCEWSTNGL-MOPGFXCFSA-N 0 3 445.564 -0.100 20 0 IBADHN COc1cc(C)c(CN2CCN(C(=O)CN3CCN4C(=O)[C@@H](N)C[C@H]4C3)CC2)cc1OC ZINC000577077079 1072533075 /nfs/dbraw/zinc/53/30/75/1072533075.db2.gz GXQZUXCEWSTNGL-OALUTQOASA-N 0 3 445.564 -0.100 20 0 IBADHN COc1cc(C)c(CN2CCN(C(=O)CN3CCN4C(=O)[C@H](N)C[C@H]4C3)CC2)cc1OC ZINC000577077083 1072533588 /nfs/dbraw/zinc/53/35/88/1072533588.db2.gz GXQZUXCEWSTNGL-RBUKOAKNSA-N 0 3 445.564 -0.100 20 0 IBADHN COc1cc(C)c(CN2CCN(C(=O)CN3CCN4C(=O)[C@H](N)C[C@@H]4C3)CC2)cc1OC ZINC000577077084 1072533338 /nfs/dbraw/zinc/53/33/38/1072533338.db2.gz GXQZUXCEWSTNGL-RTBURBONSA-N 0 3 445.564 -0.100 20 0 IBADHN CNC(=O)CN1CCC(NC(=O)C(=O)NC[C@@H](c2ccc(OC)c(OC)c2)N(C)C)CC1 ZINC000577197101 1072535728 /nfs/dbraw/zinc/53/57/28/1072535728.db2.gz PPGHVGYGPMTZLE-KRWDZBQOSA-N 0 3 449.552 -0.251 20 0 IBADHN CNC(=O)CN1CCC(NC(=O)C(=O)NC[C@H](c2ccc(OC)c(OC)c2)N(C)C)CC1 ZINC000577197106 1072535846 /nfs/dbraw/zinc/53/58/46/1072535846.db2.gz PPGHVGYGPMTZLE-QGZVFWFLSA-N 0 3 449.552 -0.251 20 0 IBADHN CN1CCN(C)[C@H](CNc2nc(NC[C@H]3CN(C)CCN3C)nc(NC(C)(C)C)n2)C1 ZINC000577237766 1072536417 /nfs/dbraw/zinc/53/64/17/1072536417.db2.gz ZHXJMIWYDYYSLB-CALCHBBNSA-N 0 3 434.637 -0.759 20 0 IBADHN CN1CCN(C)[C@H](CNc2nc(NC[C@@H]3CN(C)CCN3C)nc(NC(C)(C)C)n2)C1 ZINC000577237769 1072536388 /nfs/dbraw/zinc/53/63/88/1072536388.db2.gz ZHXJMIWYDYYSLB-IAGOWNOFSA-N 0 3 434.637 -0.759 20 0 IBADHN CN1CCN(C)[C@@H](CNc2nc(NC[C@H]3CN(C)CCN3C)nc(NC(C)(C)C)n2)C1 ZINC000577237770 1072536502 /nfs/dbraw/zinc/53/65/02/1072536502.db2.gz ZHXJMIWYDYYSLB-IRXDYDNUSA-N 0 3 434.637 -0.759 20 0 IBADHN Cn1nccc1N1CCC[C@H](NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000577291907 1072537360 /nfs/dbraw/zinc/53/73/60/1072537360.db2.gz HJUJXCYPRMQAHK-KRWDZBQOSA-N 0 3 431.541 -0.728 20 0 IBADHN Cn1nccc1N1CCC[C@@H](NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000577291912 1072537273 /nfs/dbraw/zinc/53/72/73/1072537273.db2.gz HJUJXCYPRMQAHK-QGZVFWFLSA-N 0 3 431.541 -0.728 20 0 IBADHN O=C(CN1CCCC1)N1CCN(C(=O)C(=O)N[C@H]2CCCN(c3ncccn3)C2)CC1 ZINC000577371014 1072539513 /nfs/dbraw/zinc/53/95/13/1072539513.db2.gz IMIDOAVNWUIXAO-KRWDZBQOSA-N 0 3 429.525 -0.672 20 0 IBADHN O=C(CN1CCCC1)N1CCN(C(=O)C(=O)N[C@@H]2CCCN(c3ncccn3)C2)CC1 ZINC000577371016 1072539465 /nfs/dbraw/zinc/53/94/65/1072539465.db2.gz IMIDOAVNWUIXAO-QGZVFWFLSA-N 0 3 429.525 -0.672 20 0 IBADHN N[C@@H]1C[C@@H]2CN(S(=O)(=O)c3cc4c(cc3Br)NC(=O)CO4)CCN2C1=O ZINC000577389425 1072540322 /nfs/dbraw/zinc/54/03/22/1072540322.db2.gz WVYMWQOMLLLOPP-PSASIEDQSA-N 0 3 445.295 -0.288 20 0 IBADHN N[C@H]1C[C@@H]2CN(S(=O)(=O)c3cc4c(cc3Br)NC(=O)CO4)CCN2C1=O ZINC000577389426 1072540191 /nfs/dbraw/zinc/54/01/91/1072540191.db2.gz WVYMWQOMLLLOPP-SCZZXKLOSA-N 0 3 445.295 -0.288 20 0 IBADHN N[C@@H]1C[C@H]2CN(S(=O)(=O)c3cc4c(cc3Br)NC(=O)CO4)CCN2C1=O ZINC000577389427 1072540170 /nfs/dbraw/zinc/54/01/70/1072540170.db2.gz WVYMWQOMLLLOPP-WCBMZHEXSA-N 0 3 445.295 -0.288 20 0 IBADHN N[C@H]1C[C@H]2CN(S(=O)(=O)c3cc4c(cc3Br)NC(=O)CO4)CCN2C1=O ZINC000577389428 1072540056 /nfs/dbraw/zinc/54/00/56/1072540056.db2.gz WVYMWQOMLLLOPP-WPRPVWTQSA-N 0 3 445.295 -0.288 20 0 IBADHN CN(C)CCN(Cc1ccccn1)C(=O)C(=O)Nc1ccn(CCN2CCOCC2)n1 ZINC000577702887 1073307184 /nfs/dbraw/zinc/30/71/84/1073307184.db2.gz QLESAWAZDWPTCP-UHFFFAOYSA-N 0 3 429.525 0.139 20 0 IBADHN O=C(Cn1cnnn1)N1CCN(C(=O)C(=O)NCCN2CCC3(CCCCC3)CC2)CC1 ZINC000577790372 1072550474 /nfs/dbraw/zinc/55/04/74/1072550474.db2.gz CSGZYSSRQIXWOV-UHFFFAOYSA-N 0 3 446.556 -0.494 20 0 IBADHN O=C(CN1CCN(CC2CC2)CC1)N1CCN(C(=O)CN2CCN(CC3CC3)CC2)CC1 ZINC000577839832 1072551723 /nfs/dbraw/zinc/55/17/23/1072551723.db2.gz GGYMBGQFVITSHA-UHFFFAOYSA-N 0 3 446.640 -0.288 20 0 IBADHN CN(CCNC(=O)C1CCN(C(=O)C(=O)Nc2ncn(C)n2)CC1)Cc1ccccc1 ZINC000577873071 1073310417 /nfs/dbraw/zinc/31/04/17/1073310417.db2.gz NICYYCRRJRBEQW-UHFFFAOYSA-N 0 3 427.509 0.240 20 0 IBADHN CC(C)N1CCN([C@@H]2CCN(C(=O)C(=O)NCc3cccc(OCC(N)=O)c3)C2)CC1 ZINC000577875652 1072552186 /nfs/dbraw/zinc/55/21/86/1072552186.db2.gz SMJIWTHTVRBACL-GOSISDBHSA-N 0 3 431.537 -0.206 20 0 IBADHN CC(C)N1CCN([C@H]2CCN(C(=O)C(=O)NCc3cccc(OCC(N)=O)c3)C2)CC1 ZINC000577875653 1072552214 /nfs/dbraw/zinc/55/22/14/1072552214.db2.gz SMJIWTHTVRBACL-SFHVURJKSA-N 0 3 431.537 -0.206 20 0 IBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N[C@H]2CCCN(c3ccn(C)n3)C2=O)CC1 ZINC000577909676 1072553416 /nfs/dbraw/zinc/55/34/16/1072553416.db2.gz YKKLTDQQSLCYHF-INIZCTEOSA-N 0 3 447.540 -0.956 20 0 IBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N[C@@H]2CCCN(c3ccn(C)n3)C2=O)CC1 ZINC000577909677 1072553156 /nfs/dbraw/zinc/55/31/56/1072553156.db2.gz YKKLTDQQSLCYHF-MRXNPFEDSA-N 0 3 447.540 -0.956 20 0 IBADHN COCCN(C)CCN1C[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c2cccs2)CC1=O ZINC000577912919 1072553337 /nfs/dbraw/zinc/55/33/37/1072553337.db2.gz QOUBQVMSKYHOJH-KBPBESRZSA-N 0 3 432.568 -0.290 20 0 IBADHN COCCN(C)CCN1C[C@@H](NC(=O)[C@@H](C)NS(=O)(=O)c2cccs2)CC1=O ZINC000577912920 1072553462 /nfs/dbraw/zinc/55/34/62/1072553462.db2.gz QOUBQVMSKYHOJH-KGLIPLIRSA-N 0 3 432.568 -0.290 20 0 IBADHN COCCN(C)CCN1C[C@H](NC(=O)[C@H](C)NS(=O)(=O)c2cccs2)CC1=O ZINC000577912921 1072553302 /nfs/dbraw/zinc/55/33/02/1072553302.db2.gz QOUBQVMSKYHOJH-UONOGXRCSA-N 0 3 432.568 -0.290 20 0 IBADHN COCCN(C)CCN1C[C@H](NC(=O)[C@@H](C)NS(=O)(=O)c2cccs2)CC1=O ZINC000577912922 1072553234 /nfs/dbraw/zinc/55/32/34/1072553234.db2.gz QOUBQVMSKYHOJH-ZIAGYGMSSA-N 0 3 432.568 -0.290 20 0 IBADHN COCCN(C)CCOc1cccc(CNC(=O)C(=O)N2CCN3CCOC[C@@H]3C2)c1 ZINC000577971306 1072553745 /nfs/dbraw/zinc/55/37/45/1072553745.db2.gz CSFFZTSPNRFVQP-IBGZPJMESA-N 0 3 434.537 -0.197 20 0 IBADHN COCCN(C)CCOc1cccc(CNC(=O)C(=O)N2CCN3CCOC[C@H]3C2)c1 ZINC000577971307 1072553959 /nfs/dbraw/zinc/55/39/59/1072553959.db2.gz CSFFZTSPNRFVQP-LJQANCHMSA-N 0 3 434.537 -0.197 20 0 IBADHN CCS(=O)(=O)N1CCC([C@H](C)N(C)CC(=O)NCCCN(C)S(C)(=O)=O)CC1 ZINC000577981279 1072554564 /nfs/dbraw/zinc/55/45/64/1072554564.db2.gz KUAWDRZQLMCUNH-HNNXBMFYSA-N 0 3 440.632 -0.234 20 0 IBADHN CCS(=O)(=O)N1CCC([C@@H](C)N(C)CC(=O)NCCCN(C)S(C)(=O)=O)CC1 ZINC000577981280 1072554390 /nfs/dbraw/zinc/55/43/90/1072554390.db2.gz KUAWDRZQLMCUNH-OAHLLOKOSA-N 0 3 440.632 -0.234 20 0 IBADHN Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)NCCCCN2CCN(C)CC2)s1 ZINC000578148252 1072557174 /nfs/dbraw/zinc/55/71/74/1072557174.db2.gz BTJIBMVUJDNDHI-UHFFFAOYSA-N 0 3 445.611 -0.405 20 0 IBADHN CN1CCN(CCCCNC(=O)C(=O)N2CCN(CC(=O)Nc3ccccc3)CC2)CC1 ZINC000578211387 1072559087 /nfs/dbraw/zinc/55/90/87/1072559087.db2.gz QRYHCQGSNATNSR-UHFFFAOYSA-N 0 3 444.580 -0.087 20 0 IBADHN COc1cnccc1N1CCN(C(=O)C(=O)N[C@@H]2CCC(=O)N[C@H]2c2cnn(C)c2)CC1 ZINC000578264542 1072559536 /nfs/dbraw/zinc/55/95/36/1072559536.db2.gz AACKMWRBXLBTBI-BEFAXECRSA-N 0 3 441.492 -0.392 20 0 IBADHN CC(C)[C@@H](CNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)N1CCN(C)CC1 ZINC000578330229 1072561438 /nfs/dbraw/zinc/56/14/38/1072561438.db2.gz CSZUNNCUGINWGE-CDUMDVBJSA-N 0 3 435.529 -0.878 20 0 IBADHN CC(C)[C@H](CNc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)N1CCN(C)CC1 ZINC000578330231 1072561331 /nfs/dbraw/zinc/56/13/31/1072561331.db2.gz CSZUNNCUGINWGE-SWQDORGXSA-N 0 3 435.529 -0.878 20 0 IBADHN CN(CCN(CCN1CCCCC1)C(=O)C1(NC(N)=O)CC1)C(=O)C1(NC(N)=O)CC1 ZINC000578369914 1072562384 /nfs/dbraw/zinc/56/23/84/1072562384.db2.gz HWDQTNYIWVUPGU-UHFFFAOYSA-N 0 3 437.545 -0.839 20 0 IBADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N2CCN(c3ncccc3C(N)=O)CC2)CC1 ZINC000578446118 1072564400 /nfs/dbraw/zinc/56/44/00/1072564400.db2.gz GHKGBRQCPMHCFF-KRWDZBQOSA-N 0 3 445.568 -0.781 20 0 IBADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N2CCN(c3ncccc3C(N)=O)CC2)CC1 ZINC000578446119 1072564271 /nfs/dbraw/zinc/56/42/71/1072564271.db2.gz GHKGBRQCPMHCFF-QGZVFWFLSA-N 0 3 445.568 -0.781 20 0 IBADHN COCCN(C)CCN1C[C@@H](NC(=O)c2cc(C(N)=O)n(-c3ccccc3)n2)CC1=O ZINC000578492321 1072565372 /nfs/dbraw/zinc/56/53/72/1072565372.db2.gz IFGPUMNTHSHNBJ-HNNXBMFYSA-N 0 3 428.493 -0.120 20 0 IBADHN COCCN(C)CCN1C[C@H](NC(=O)c2cc(C(N)=O)n(-c3ccccc3)n2)CC1=O ZINC000578492322 1072565513 /nfs/dbraw/zinc/56/55/13/1072565513.db2.gz IFGPUMNTHSHNBJ-OAHLLOKOSA-N 0 3 428.493 -0.120 20 0 IBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000578533791 1072566055 /nfs/dbraw/zinc/56/60/55/1072566055.db2.gz BARDZCQBYFQBEZ-MOPGFXCFSA-N 0 3 443.548 -0.037 20 0 IBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)N[C@H]1CCN(Cc2ccccc2)C1=O ZINC000578533794 1072565965 /nfs/dbraw/zinc/56/59/65/1072565965.db2.gz BARDZCQBYFQBEZ-OALUTQOASA-N 0 3 443.548 -0.037 20 0 IBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)N[C@H]1CCN(Cc2ccccc2)C1=O ZINC000578533795 1072566043 /nfs/dbraw/zinc/56/60/43/1072566043.db2.gz BARDZCQBYFQBEZ-RBUKOAKNSA-N 0 3 443.548 -0.037 20 0 IBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)N[C@@H]1CCN(Cc2ccccc2)C1=O ZINC000578533796 1072565923 /nfs/dbraw/zinc/56/59/23/1072565923.db2.gz BARDZCQBYFQBEZ-RTBURBONSA-N 0 3 443.548 -0.037 20 0 IBADHN COCC(=O)N1CCN(C(=O)C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)CC1 ZINC000578576144 1072566945 /nfs/dbraw/zinc/56/69/45/1072566945.db2.gz VMLNIUHMGLHCNS-IBGZPJMESA-N 0 3 432.521 -0.289 20 0 IBADHN COCC(=O)N1CCN(C(=O)C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)CC1 ZINC000578576145 1072567069 /nfs/dbraw/zinc/56/70/69/1072567069.db2.gz VMLNIUHMGLHCNS-LJQANCHMSA-N 0 3 432.521 -0.289 20 0 IBADHN CN(CCCN1CCN(C)CC1)C(=O)C(=O)NCCCN1C(=O)NC2(CCCC2)C1=O ZINC000578607393 1072567694 /nfs/dbraw/zinc/56/76/94/1072567694.db2.gz NXLZLUVXJXLBLP-UHFFFAOYSA-N 0 3 436.557 -0.547 20 0 IBADHN CS(=O)(=O)N1CCN(C(=O)C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)CC1 ZINC000578631436 1072567462 /nfs/dbraw/zinc/56/74/62/1072567462.db2.gz HRVUPIIITDXAHG-GOSISDBHSA-N 0 3 438.550 -0.503 20 0 IBADHN CS(=O)(=O)N1CCN(C(=O)C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)CC1 ZINC000578631437 1072567573 /nfs/dbraw/zinc/56/75/73/1072567573.db2.gz HRVUPIIITDXAHG-SFHVURJKSA-N 0 3 438.550 -0.503 20 0 IBADHN COCCCNC(=O)[C@H](C)N1CCN(C(=O)C(=O)NCCN2CCC[C@@H](C)C2)CC1 ZINC000578731672 1072569135 /nfs/dbraw/zinc/56/91/35/1072569135.db2.gz QNGBIAWULFTILB-MSOLQXFVSA-N 0 3 425.574 -0.480 20 0 IBADHN COCCCNC(=O)[C@@H](C)N1CCN(C(=O)C(=O)NCCN2CCC[C@@H](C)C2)CC1 ZINC000578731673 1072569263 /nfs/dbraw/zinc/56/92/63/1072569263.db2.gz QNGBIAWULFTILB-QZTJIDSGSA-N 0 3 425.574 -0.480 20 0 IBADHN COCCCNC(=O)[C@H](C)N1CCN(C(=O)C(=O)NCCN2CCC[C@H](C)C2)CC1 ZINC000578731674 1072569197 /nfs/dbraw/zinc/56/91/97/1072569197.db2.gz QNGBIAWULFTILB-ROUUACIJSA-N 0 3 425.574 -0.480 20 0 IBADHN COCCCNC(=O)[C@@H](C)N1CCN(C(=O)C(=O)NCCN2CCC[C@H](C)C2)CC1 ZINC000578731675 1072569162 /nfs/dbraw/zinc/56/91/62/1072569162.db2.gz QNGBIAWULFTILB-ZWKOTPCHSA-N 0 3 425.574 -0.480 20 0 IBADHN CCCNC(=O)CN1CCC(NC(=O)C(=O)NC[C@@H](C(C)C)N2CCN(C)CC2)CC1 ZINC000578772947 1072569769 /nfs/dbraw/zinc/56/97/69/1072569769.db2.gz YGHCBGBFZRLMRK-IBGZPJMESA-N 0 3 438.617 -0.519 20 0 IBADHN CCCNC(=O)CN1CCC(NC(=O)C(=O)NC[C@H](C(C)C)N2CCN(C)CC2)CC1 ZINC000578772948 1072569709 /nfs/dbraw/zinc/56/97/09/1072569709.db2.gz YGHCBGBFZRLMRK-LJQANCHMSA-N 0 3 438.617 -0.519 20 0 IBADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N2CCN(C(=O)c3ccccn3)CC2)CC1 ZINC000578782154 1072569630 /nfs/dbraw/zinc/56/96/30/1072569630.db2.gz KLVUBCILUMXIKZ-GOSISDBHSA-N 0 3 430.553 -0.244 20 0 IBADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N2CCN(C(=O)c3ccccn3)CC2)CC1 ZINC000578782155 1072569816 /nfs/dbraw/zinc/56/98/16/1072569816.db2.gz KLVUBCILUMXIKZ-SFHVURJKSA-N 0 3 430.553 -0.244 20 0 IBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N[C@H]2CCCN(c3ccnn3C)C2)CC1 ZINC000578792339 1072570578 /nfs/dbraw/zinc/57/05/78/1072570578.db2.gz SVTRCAAXYWPAGW-KRWDZBQOSA-N 0 3 433.557 -0.482 20 0 IBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N[C@@H]2CCCN(c3ccnn3C)C2)CC1 ZINC000578792340 1072570536 /nfs/dbraw/zinc/57/05/36/1072570536.db2.gz SVTRCAAXYWPAGW-QGZVFWFLSA-N 0 3 433.557 -0.482 20 0 IBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N[C@@H]2CCCN(c3cccnc3)C2=O)CC1 ZINC000578793403 1072570647 /nfs/dbraw/zinc/57/06/47/1072570647.db2.gz PGOXJJPIOZVQKN-MSOLQXFVSA-N 0 3 442.520 -0.542 20 0 IBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N[C@@H]2CCCN(c3cccnc3)C2=O)CC1 ZINC000578793404 1072570680 /nfs/dbraw/zinc/57/06/80/1072570680.db2.gz PGOXJJPIOZVQKN-QZTJIDSGSA-N 0 3 442.520 -0.542 20 0 IBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N[C@H]2CCCN(c3cccnc3)C2=O)CC1 ZINC000578793405 1072570510 /nfs/dbraw/zinc/57/05/10/1072570510.db2.gz PGOXJJPIOZVQKN-ROUUACIJSA-N 0 3 442.520 -0.542 20 0 IBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N[C@H]2CCCN(c3cccnc3)C2=O)CC1 ZINC000578793406 1072570363 /nfs/dbraw/zinc/57/03/63/1072570363.db2.gz PGOXJJPIOZVQKN-ZWKOTPCHSA-N 0 3 442.520 -0.542 20 0 IBADHN O=C(CN1CCCC1)N1CCN(C(=O)C(=O)Nc2ccc3c(c2F)CCNC3=O)CC1 ZINC000578796327 1072570217 /nfs/dbraw/zinc/57/02/17/1072570217.db2.gz ZQDYBUYELHKAJI-UHFFFAOYSA-N 0 3 431.468 -0.183 20 0 IBADHN CC(=O)NC[C@H]1CN(C(=O)C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)CCO1 ZINC000578797455 1072570626 /nfs/dbraw/zinc/57/06/26/1072570626.db2.gz OJGINFJEYUABFG-PMACEKPBSA-N 0 3 432.521 -0.243 20 0 IBADHN CC(=O)NC[C@H]1CN(C(=O)C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)CCO1 ZINC000578797456 1072570562 /nfs/dbraw/zinc/57/05/62/1072570562.db2.gz OJGINFJEYUABFG-UXHICEINSA-N 0 3 432.521 -0.243 20 0 IBADHN CC(=O)NC[C@@H]1CN(C(=O)C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)CCO1 ZINC000578797457 1072570326 /nfs/dbraw/zinc/57/03/26/1072570326.db2.gz OJGINFJEYUABFG-VQTJNVASSA-N 0 3 432.521 -0.243 20 0 IBADHN CC(=O)NC[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)CCO1 ZINC000578797458 1072570475 /nfs/dbraw/zinc/57/04/75/1072570475.db2.gz OJGINFJEYUABFG-WOJBJXKFSA-N 0 3 432.521 -0.243 20 0 IBADHN CN(CC(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1)S(=O)(=O)c1ccc(Br)cc1 ZINC000578884840 1072571646 /nfs/dbraw/zinc/57/16/46/1072571646.db2.gz UMHFBZHEJLZQLR-GXTWGEPZSA-N 0 3 445.339 -0.160 20 0 IBADHN CN(CC(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1)S(=O)(=O)c1ccc(Br)cc1 ZINC000578884841 1072571670 /nfs/dbraw/zinc/57/16/70/1072571670.db2.gz UMHFBZHEJLZQLR-JSGCOSHPSA-N 0 3 445.339 -0.160 20 0 IBADHN CN(CC(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1)S(=O)(=O)c1ccc(Br)cc1 ZINC000578884842 1072571619 /nfs/dbraw/zinc/57/16/19/1072571619.db2.gz UMHFBZHEJLZQLR-OCCSQVGLSA-N 0 3 445.339 -0.160 20 0 IBADHN CN(CC(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1)S(=O)(=O)c1ccc(Br)cc1 ZINC000578884843 1072571759 /nfs/dbraw/zinc/57/17/59/1072571759.db2.gz UMHFBZHEJLZQLR-TZMCWYRMSA-N 0 3 445.339 -0.160 20 0 IBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)N(C)CC(C)(C)CN1CCOCC1 ZINC000578973329 1072574959 /nfs/dbraw/zinc/57/49/59/1072574959.db2.gz MCMSNVOHFBZMMS-GOSISDBHSA-N 0 3 439.601 -0.138 20 0 IBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)N(C)CC(C)(C)CN1CCOCC1 ZINC000578973337 1072574811 /nfs/dbraw/zinc/57/48/11/1072574811.db2.gz MCMSNVOHFBZMMS-SFHVURJKSA-N 0 3 439.601 -0.138 20 0 IBADHN C[C@@H](CNC(=O)C(=O)N1CCN(c2nccn3cnnc23)[C@H](C)C1)CN1CCN(C)CC1 ZINC000579249288 1072578183 /nfs/dbraw/zinc/57/81/83/1072578183.db2.gz PLBQQSRWRAZFQH-DLBZAZTESA-N 0 3 443.556 -0.839 20 0 IBADHN C[C@H](CNC(=O)C(=O)N1CCN(c2nccn3cnnc23)[C@H](C)C1)CN1CCN(C)CC1 ZINC000579249310 1072578165 /nfs/dbraw/zinc/57/81/65/1072578165.db2.gz PLBQQSRWRAZFQH-IAGOWNOFSA-N 0 3 443.556 -0.839 20 0 IBADHN C[C@@H](CNC(=O)C(=O)N1CCN(c2nccn3cnnc23)[C@@H](C)C1)CN1CCN(C)CC1 ZINC000579249315 1072578378 /nfs/dbraw/zinc/57/83/78/1072578378.db2.gz PLBQQSRWRAZFQH-IRXDYDNUSA-N 0 3 443.556 -0.839 20 0 IBADHN C[C@H](CNC(=O)C(=O)N1CCN(c2nccn3cnnc23)[C@@H](C)C1)CN1CCN(C)CC1 ZINC000579249318 1072578323 /nfs/dbraw/zinc/57/83/23/1072578323.db2.gz PLBQQSRWRAZFQH-SJORKVTESA-N 0 3 443.556 -0.839 20 0 IBADHN CN(C)CCn1c2cc(NC(=O)C(=O)NCCS(=O)(=O)N(C)C)ccc2oc1=O ZINC000579298012 1072579343 /nfs/dbraw/zinc/57/93/43/1072579343.db2.gz DESCFCPSUNIGHA-UHFFFAOYSA-N 0 3 427.483 -0.898 20 0 IBADHN Cc1nc(S(=O)(=O)N2CCN(C(=O)C(=O)N[C@@H](C)CN3CCCCC3)CC2)cn1C ZINC000579334327 1072580082 /nfs/dbraw/zinc/58/00/82/1072580082.db2.gz BOJWFVGJTPUXMP-HNNXBMFYSA-N 0 3 440.570 -0.448 20 0 IBADHN Cc1nc(S(=O)(=O)N2CCN(C(=O)C(=O)N[C@H](C)CN3CCCCC3)CC2)cn1C ZINC000579334328 1072580062 /nfs/dbraw/zinc/58/00/62/1072580062.db2.gz BOJWFVGJTPUXMP-OAHLLOKOSA-N 0 3 440.570 -0.448 20 0 IBADHN CCN(CC)C(=O)CN1CCCN(C(=O)C(=O)NC[C@@]2(N(C)C)CCSC2)CC1 ZINC000579502999 1072582759 /nfs/dbraw/zinc/58/27/59/1072582759.db2.gz VYAMYFQLEFKTAK-FQEVSTJZSA-N 0 3 427.615 -0.057 20 0 IBADHN CCN(CC)C(=O)CN1CCCN(C(=O)C(=O)NC[C@]2(N(C)C)CCSC2)CC1 ZINC000579503000 1072582844 /nfs/dbraw/zinc/58/28/44/1072582844.db2.gz VYAMYFQLEFKTAK-HXUWFJFHSA-N 0 3 427.615 -0.057 20 0 IBADHN COc1cc(OC)cc(N2CC[C@H](Nc3nc(NCCO)nc(NC(C)C)n3)C2=O)c1 ZINC000579696602 1070793304 /nfs/dbraw/zinc/79/33/04/1070793304.db2.gz WXJSQUBDPBEAJK-INIZCTEOSA-N 0 3 431.497 -0.404 20 0 IBADHN COc1cc(OC)cc(N2CC[C@@H](Nc3nc(NCCO)nc(NC(C)C)n3)C2=O)c1 ZINC000579696607 1070793688 /nfs/dbraw/zinc/79/36/88/1070793688.db2.gz WXJSQUBDPBEAJK-MRXNPFEDSA-N 0 3 431.497 -0.404 20 0 IBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NC[C@@H]2CN(CC(C)C)CCO2)CC1 ZINC000579738826 1070795793 /nfs/dbraw/zinc/79/57/93/1070795793.db2.gz BYWQPHDRXLXVNZ-GOSISDBHSA-N 0 3 425.574 -0.528 20 0 IBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NC[C@H]2CN(CC(C)C)CCO2)CC1 ZINC000579738827 1070795623 /nfs/dbraw/zinc/79/56/23/1070795623.db2.gz BYWQPHDRXLXVNZ-SFHVURJKSA-N 0 3 425.574 -0.528 20 0 IBADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)NCc2cccnc2N2CCOCC2)CC1 ZINC000579739294 1070795440 /nfs/dbraw/zinc/79/54/40/1070795440.db2.gz ANPZUZYPLCECSS-GOSISDBHSA-N 0 3 432.569 -0.076 20 0 IBADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)NCc2cccnc2N2CCOCC2)CC1 ZINC000579739295 1070795695 /nfs/dbraw/zinc/79/56/95/1070795695.db2.gz ANPZUZYPLCECSS-SFHVURJKSA-N 0 3 432.569 -0.076 20 0 IBADHN CC(C)NC(=O)[C@@H]1CCC[C@H](NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC000579745488 1070796461 /nfs/dbraw/zinc/79/64/61/1070796461.db2.gz XGRPGJJXBBIGCL-FGTMMUONSA-N 0 3 435.569 -0.049 20 0 IBADHN CC(C)NC(=O)[C@@H]1CCC[C@@H](NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC000579745491 1070796198 /nfs/dbraw/zinc/79/61/98/1070796198.db2.gz XGRPGJJXBBIGCL-KURKYZTESA-N 0 3 435.569 -0.049 20 0 IBADHN CC(C)NC(=O)[C@@H]1CCC[C@@H](NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC000579745493 1070796525 /nfs/dbraw/zinc/79/65/25/1070796525.db2.gz XGRPGJJXBBIGCL-KZNAEPCWSA-N 0 3 435.569 -0.049 20 0 IBADHN CC(C)NC(=O)[C@@H]1CCC[C@H](NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC000579745495 1070796267 /nfs/dbraw/zinc/79/62/67/1070796267.db2.gz XGRPGJJXBBIGCL-SQNIBIBYSA-N 0 3 435.569 -0.049 20 0 IBADHN CC(=O)NC[C@H]1CN(C(=O)C(=O)NCc2ccccc2CN2CCC(O)CC2)CCO1 ZINC000579761785 1070798339 /nfs/dbraw/zinc/79/83/39/1070798339.db2.gz FQWLWHQZMVUQAG-FQEVSTJZSA-N 0 3 432.521 -0.377 20 0 IBADHN CC(=O)NC[C@@H]1CN(C(=O)C(=O)NCc2ccccc2CN2CCC(O)CC2)CCO1 ZINC000579761787 1070799310 /nfs/dbraw/zinc/79/93/10/1070799310.db2.gz FQWLWHQZMVUQAG-HXUWFJFHSA-N 0 3 432.521 -0.377 20 0 IBADHN NC(=O)[C@@H]1CN(c2ccc3nc(C(F)F)nc(N4CCN[C@H](C(N)=O)C4)c3c2)CCN1 ZINC000579782588 1070804310 /nfs/dbraw/zinc/80/43/10/1070804310.db2.gz HISVGSDURWCVKU-KBPBESRZSA-N 0 3 434.451 -0.906 20 0 IBADHN NC(=O)[C@H]1CN(c2ccc3nc(C(F)F)nc(N4CCN[C@H](C(N)=O)C4)c3c2)CCN1 ZINC000579782589 1070804100 /nfs/dbraw/zinc/80/41/00/1070804100.db2.gz HISVGSDURWCVKU-KGLIPLIRSA-N 0 3 434.451 -0.906 20 0 IBADHN NC(=O)[C@H]1CN(c2nc(C(F)F)nc3ccc(N4CCN[C@H](C(N)=O)C4)cc32)CCN1 ZINC000579782590 1070803928 /nfs/dbraw/zinc/80/39/28/1070803928.db2.gz HISVGSDURWCVKU-UONOGXRCSA-N 0 3 434.451 -0.906 20 0 IBADHN NC(=O)[C@H]1CN(c2ccc3nc(C(F)F)nc(N4CCN[C@@H](C(N)=O)C4)c3c2)CCN1 ZINC000579782591 1070804188 /nfs/dbraw/zinc/80/41/88/1070804188.db2.gz HISVGSDURWCVKU-ZIAGYGMSSA-N 0 3 434.451 -0.906 20 0 IBADHN Cc1cccc(N2CCN(S(=O)(=O)CC(=O)N3CCN4C(=O)[C@@H](N)C[C@@H]4C3)CC2)c1 ZINC000579853195 1070822961 /nfs/dbraw/zinc/82/29/61/1070822961.db2.gz GMVZGUWAWPMXFF-MSOLQXFVSA-N 0 3 435.550 -0.783 20 0 IBADHN Cc1cccc(N2CCN(S(=O)(=O)CC(=O)N3CCN4C(=O)[C@H](N)C[C@@H]4C3)CC2)c1 ZINC000579853196 1070823435 /nfs/dbraw/zinc/82/34/35/1070823435.db2.gz GMVZGUWAWPMXFF-QZTJIDSGSA-N 0 3 435.550 -0.783 20 0 IBADHN Cc1cccc(N2CCN(S(=O)(=O)CC(=O)N3CCN4C(=O)[C@@H](N)C[C@H]4C3)CC2)c1 ZINC000579853197 1070822716 /nfs/dbraw/zinc/82/27/16/1070822716.db2.gz GMVZGUWAWPMXFF-ROUUACIJSA-N 0 3 435.550 -0.783 20 0 IBADHN Cc1cccc(N2CCN(S(=O)(=O)CC(=O)N3CCN4C(=O)[C@H](N)C[C@H]4C3)CC2)c1 ZINC000579853198 1070823195 /nfs/dbraw/zinc/82/31/95/1070823195.db2.gz GMVZGUWAWPMXFF-ZWKOTPCHSA-N 0 3 435.550 -0.783 20 0 IBADHN COc1cc(CN[C@@H]2CCCN(S(=O)(=O)N(C)C)C2)cc(OC)c1OCC(N)=O ZINC000579884272 1070842623 /nfs/dbraw/zinc/84/26/23/1070842623.db2.gz UBCUPDSCFKGZFR-CQSZACIVSA-N 0 3 430.527 -0.072 20 0 IBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)Nc2nnn(Cc3noc(C)n3)c2C)CC1 ZINC000579984817 1070896533 /nfs/dbraw/zinc/89/65/33/1070896533.db2.gz QSBLQLMDTFBJRN-UHFFFAOYSA-N 0 3 447.500 -0.723 20 0 IBADHN CN(CCN(CCN1CCCCC1)C(=O)[C@H]1CCNC(=O)C1)C(=O)[C@@H]1CCNC(=O)C1 ZINC000580001234 1070899369 /nfs/dbraw/zinc/89/93/69/1070899369.db2.gz SPETZQGECVHRJH-MSOLQXFVSA-N 0 3 435.569 -0.188 20 0 IBADHN CN(CCN(CCN1CCCCC1)C(=O)[C@@H]1CCNC(=O)C1)C(=O)[C@@H]1CCNC(=O)C1 ZINC000580001235 1070899734 /nfs/dbraw/zinc/89/97/34/1070899734.db2.gz SPETZQGECVHRJH-QZTJIDSGSA-N 0 3 435.569 -0.188 20 0 IBADHN CN(CCN(CCN1CCCCC1)C(=O)[C@H]1CCNC(=O)C1)C(=O)[C@H]1CCNC(=O)C1 ZINC000580001236 1070899528 /nfs/dbraw/zinc/89/95/28/1070899528.db2.gz SPETZQGECVHRJH-ROUUACIJSA-N 0 3 435.569 -0.188 20 0 IBADHN CN(CCN(CCN1CCCCC1)C(=O)[C@@H]1CCNC(=O)C1)C(=O)[C@H]1CCNC(=O)C1 ZINC000580001237 1070899413 /nfs/dbraw/zinc/89/94/13/1070899413.db2.gz SPETZQGECVHRJH-ZWKOTPCHSA-N 0 3 435.569 -0.188 20 0 IBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)N1CCC(Oc2cnccn2)CC1 ZINC000580085718 1070912136 /nfs/dbraw/zinc/91/21/36/1070912136.db2.gz QGJBHQNMJDZLJE-KRWDZBQOSA-N 0 3 432.525 -0.095 20 0 IBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)N1CCC(Oc2cnccn2)CC1 ZINC000580085719 1070912092 /nfs/dbraw/zinc/91/20/92/1070912092.db2.gz QGJBHQNMJDZLJE-QGZVFWFLSA-N 0 3 432.525 -0.095 20 0 IBADHN N[C@H]1C[C@H]2CN(C(=O)CNS(=O)(=O)c3cccc(Br)c3)CCN2C1=O ZINC000580216699 1070917253 /nfs/dbraw/zinc/91/72/53/1070917253.db2.gz DVBPIONRBAAPOQ-AAEUAGOBSA-N 0 3 431.312 -0.502 20 0 IBADHN N[C@@H]1C[C@@H]2CN(C(=O)CNS(=O)(=O)c3cccc(Br)c3)CCN2C1=O ZINC000580216700 1070917085 /nfs/dbraw/zinc/91/70/85/1070917085.db2.gz DVBPIONRBAAPOQ-DGCLKSJQSA-N 0 3 431.312 -0.502 20 0 IBADHN N[C@@H]1C[C@H]2CN(C(=O)CNS(=O)(=O)c3cccc(Br)c3)CCN2C1=O ZINC000580216701 1070917372 /nfs/dbraw/zinc/91/73/72/1070917372.db2.gz DVBPIONRBAAPOQ-WCQYABFASA-N 0 3 431.312 -0.502 20 0 IBADHN N[C@H]1C[C@@H]2CN(C(=O)CNS(=O)(=O)c3cccc(Br)c3)CCN2C1=O ZINC000580216702 1070917148 /nfs/dbraw/zinc/91/71/48/1070917148.db2.gz DVBPIONRBAAPOQ-YPMHNXCESA-N 0 3 431.312 -0.502 20 0 IBADHN CN(C[C@H](O)CN1CCOCC1)C(=O)C(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000580233966 1070918091 /nfs/dbraw/zinc/91/80/91/1070918091.db2.gz AKKDPMKTJNECBZ-NRFANRHFSA-N 0 3 448.564 -0.589 20 0 IBADHN CN(C[C@@H](O)CN1CCOCC1)C(=O)C(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC000580233967 1070917982 /nfs/dbraw/zinc/91/79/82/1070917982.db2.gz AKKDPMKTJNECBZ-OAQYLSRUSA-N 0 3 448.564 -0.589 20 0 IBADHN O=C(CN1CCCC1)N1CCN(C(=O)C(=O)NC2CCN(c3cccnn3)CC2)CC1 ZINC000580234448 1070917813 /nfs/dbraw/zinc/91/78/13/1070917813.db2.gz DBHYITSRIMOXIE-UHFFFAOYSA-N 0 3 429.525 -0.672 20 0 IBADHN O=C(CN1CCCC1)N1CCN(C(=O)C(=O)NCc2cnn(CC(F)(F)F)c2)CC1 ZINC000580240020 1070917939 /nfs/dbraw/zinc/91/79/39/1070917939.db2.gz ZLIWMOAJDALDLM-UHFFFAOYSA-N 0 3 430.431 -0.172 20 0 IBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NC2CCN(c3cc(C)[nH]n3)CC2)CC1 ZINC000580258743 1070919445 /nfs/dbraw/zinc/91/94/45/1070919445.db2.gz HQULDECIVKSWKY-UHFFFAOYSA-N 0 3 433.557 -0.184 20 0 IBADHN CC(C)N1CCN([C@@H]2CCN(C(=O)C(=O)N[C@H]3CCCN(c4ccn(C)n4)C3=O)C2)CC1 ZINC000580471695 1070932840 /nfs/dbraw/zinc/93/28/40/1070932840.db2.gz CLCSKWQCOKNOIW-MSOLQXFVSA-N 0 3 445.568 -0.341 20 0 IBADHN CC(C)N1CCN([C@@H]2CCN(C(=O)C(=O)N[C@@H]3CCCN(c4ccn(C)n4)C3=O)C2)CC1 ZINC000580471696 1070932627 /nfs/dbraw/zinc/93/26/27/1070932627.db2.gz CLCSKWQCOKNOIW-QZTJIDSGSA-N 0 3 445.568 -0.341 20 0 IBADHN CC(C)N1CCN([C@H]2CCN(C(=O)C(=O)N[C@H]3CCCN(c4ccn(C)n4)C3=O)C2)CC1 ZINC000580471697 1072967371 /nfs/dbraw/zinc/96/73/71/1072967371.db2.gz CLCSKWQCOKNOIW-ROUUACIJSA-N 0 3 445.568 -0.341 20 0 IBADHN CC(C)N1CCN([C@H]2CCN(C(=O)C(=O)N[C@@H]3CCCN(c4ccn(C)n4)C3=O)C2)CC1 ZINC000580471698 1070932870 /nfs/dbraw/zinc/93/28/70/1070932870.db2.gz CLCSKWQCOKNOIW-ZWKOTPCHSA-N 0 3 445.568 -0.341 20 0 IBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)NCCc1nnc2n1CCCCC2 ZINC000580560925 1070936883 /nfs/dbraw/zinc/93/68/83/1070936883.db2.gz DNANGSLHCXOFCS-INIZCTEOSA-N 0 3 433.557 -0.278 20 0 IBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)NCCc1nnc2n1CCCCC2 ZINC000580560926 1070937498 /nfs/dbraw/zinc/93/74/98/1070937498.db2.gz DNANGSLHCXOFCS-MRXNPFEDSA-N 0 3 433.557 -0.278 20 0 IBADHN N[C@H]1C[C@@H]2CN(C(=O)c3sccc3S(=O)(=O)N3CCSCC3)CCN2C1=O ZINC000580660028 1070940161 /nfs/dbraw/zinc/94/01/61/1070940161.db2.gz MKCYTPXPRXHGPZ-NEPJUHHUSA-N 0 3 430.577 -0.130 20 0 IBADHN N[C@@H]1C[C@H]2CN(C(=O)c3sccc3S(=O)(=O)N3CCSCC3)CCN2C1=O ZINC000580660032 1070940277 /nfs/dbraw/zinc/94/02/77/1070940277.db2.gz MKCYTPXPRXHGPZ-NWDGAFQWSA-N 0 3 430.577 -0.130 20 0 IBADHN N[C@H]1C[C@H]2CN(C(=O)c3sccc3S(=O)(=O)N3CCSCC3)CCN2C1=O ZINC000580660033 1070940317 /nfs/dbraw/zinc/94/03/17/1070940317.db2.gz MKCYTPXPRXHGPZ-RYUDHWBXSA-N 0 3 430.577 -0.130 20 0 IBADHN N[C@@H]1C[C@@H]2CN(C(=O)c3sccc3S(=O)(=O)N3CCSCC3)CCN2C1=O ZINC000580660034 1070940185 /nfs/dbraw/zinc/94/01/85/1070940185.db2.gz MKCYTPXPRXHGPZ-VXGBXAGGSA-N 0 3 430.577 -0.130 20 0 IBADHN CN(C)S(=O)(=O)c1cc(NC(=O)CN2CCN3C(=O)[C@H](N)C[C@H]3C2)ccc1Cl ZINC000580725737 1070943500 /nfs/dbraw/zinc/94/35/00/1070943500.db2.gz UUCSOGMEAWQDOD-GXTWGEPZSA-N 0 3 429.930 -0.227 20 0 IBADHN CN(C)S(=O)(=O)c1cc(NC(=O)CN2CCN3C(=O)[C@@H](N)C[C@H]3C2)ccc1Cl ZINC000580725740 1070943446 /nfs/dbraw/zinc/94/34/46/1070943446.db2.gz UUCSOGMEAWQDOD-JSGCOSHPSA-N 0 3 429.930 -0.227 20 0 IBADHN CN(C)S(=O)(=O)c1cc(NC(=O)CN2CCN3C(=O)[C@@H](N)C[C@@H]3C2)ccc1Cl ZINC000580725741 1070943623 /nfs/dbraw/zinc/94/36/23/1070943623.db2.gz UUCSOGMEAWQDOD-OCCSQVGLSA-N 0 3 429.930 -0.227 20 0 IBADHN CN(C)S(=O)(=O)c1cc(NC(=O)CN2CCN3C(=O)[C@H](N)C[C@@H]3C2)ccc1Cl ZINC000580725742 1070943348 /nfs/dbraw/zinc/94/33/48/1070943348.db2.gz UUCSOGMEAWQDOD-TZMCWYRMSA-N 0 3 429.930 -0.227 20 0 IBADHN CCN1CCN(C(=O)CC2CCN(C(=O)C(=O)NC[C@H]3CN(C)CCN3C)CC2)CC1 ZINC000580732850 1070944509 /nfs/dbraw/zinc/94/45/09/1070944509.db2.gz LRURSZJKRNIHHT-IBGZPJMESA-N 0 3 436.601 -0.859 20 0 IBADHN CCN1CCN(C(=O)CC2CCN(C(=O)C(=O)NC[C@@H]3CN(C)CCN3C)CC2)CC1 ZINC000580732851 1070944206 /nfs/dbraw/zinc/94/42/06/1070944206.db2.gz LRURSZJKRNIHHT-LJQANCHMSA-N 0 3 436.601 -0.859 20 0 IBADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N2CCN(C(C)(C)C(=O)OC)CC2)CC1 ZINC000580788366 1070946813 /nfs/dbraw/zinc/94/68/13/1070946813.db2.gz RBXZTEXEHMTHJD-KRWDZBQOSA-N 0 3 425.574 -0.528 20 0 IBADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N2CCN(C(C)(C)C(=O)OC)CC2)CC1 ZINC000580788367 1070946673 /nfs/dbraw/zinc/94/66/73/1070946673.db2.gz RBXZTEXEHMTHJD-QGZVFWFLSA-N 0 3 425.574 -0.528 20 0 IBADHN O=C(NCCS(=O)(=O)N1CCSCC1)C(=O)N1CCC[C@H]1CN1CCCCC1 ZINC000580910669 1070952600 /nfs/dbraw/zinc/95/26/00/1070952600.db2.gz WQISLMOYJALLDY-INIZCTEOSA-N 0 3 432.612 -0.042 20 0 IBADHN O=C(NCCS(=O)(=O)N1CCSCC1)C(=O)N1CCC[C@@H]1CN1CCCCC1 ZINC000580910670 1070952516 /nfs/dbraw/zinc/95/25/16/1070952516.db2.gz WQISLMOYJALLDY-MRXNPFEDSA-N 0 3 432.612 -0.042 20 0 IBADHN C[C@H](NC(=O)C(=O)NCCCCN1CCN(CCO)CC1)C(=O)N1CCCC[C@H]1C ZINC000580958201 1070955880 /nfs/dbraw/zinc/95/58/80/1070955880.db2.gz ZXNCUGAKGPCRSP-MSOLQXFVSA-N 0 3 425.574 -0.602 20 0 IBADHN C[C@@H](NC(=O)C(=O)NCCCCN1CCN(CCO)CC1)C(=O)N1CCCC[C@H]1C ZINC000580958202 1070955944 /nfs/dbraw/zinc/95/59/44/1070955944.db2.gz ZXNCUGAKGPCRSP-QZTJIDSGSA-N 0 3 425.574 -0.602 20 0 IBADHN C[C@H](NC(=O)C(=O)NCCCCN1CCN(CCO)CC1)C(=O)N1CCCC[C@@H]1C ZINC000580958203 1070956066 /nfs/dbraw/zinc/95/60/66/1070956066.db2.gz ZXNCUGAKGPCRSP-ROUUACIJSA-N 0 3 425.574 -0.602 20 0 IBADHN C[C@@H](NC(=O)C(=O)NCCCCN1CCN(CCO)CC1)C(=O)N1CCCC[C@@H]1C ZINC000580958204 1070955913 /nfs/dbraw/zinc/95/59/13/1070955913.db2.gz ZXNCUGAKGPCRSP-ZWKOTPCHSA-N 0 3 425.574 -0.602 20 0 IBADHN Cn1ccnc(N2CCN(C(=O)C(=O)NCCCN3CCc4ccccc4C3)CC2)c1=O ZINC000580966945 1070956887 /nfs/dbraw/zinc/95/68/87/1070956887.db2.gz STTRGSCJLRLKMG-UHFFFAOYSA-N 0 3 438.532 -0.007 20 0 IBADHN C[C@H](CNC(=O)C(=O)N1CCN([C@@H](C)C(=O)N2CCOCC2)CC1)N1CCC(C)CC1 ZINC000580968569 1070956910 /nfs/dbraw/zinc/95/69/10/1070956910.db2.gz BWGGIULLEFLNHJ-MOPGFXCFSA-N 0 3 437.585 -0.386 20 0 IBADHN C[C@@H](CNC(=O)C(=O)N1CCN([C@@H](C)C(=O)N2CCOCC2)CC1)N1CCC(C)CC1 ZINC000580968570 1070956670 /nfs/dbraw/zinc/95/66/70/1070956670.db2.gz BWGGIULLEFLNHJ-OALUTQOASA-N 0 3 437.585 -0.386 20 0 IBADHN C[C@H](C(=O)N1CCOCC1)N1CCN(C(=O)C(=O)NC[C@H](C)N2CCC(C)CC2)CC1 ZINC000580968571 1070956769 /nfs/dbraw/zinc/95/67/69/1070956769.db2.gz BWGGIULLEFLNHJ-RBUKOAKNSA-N 0 3 437.585 -0.386 20 0 IBADHN C[C@H](CNC(=O)C(=O)N1CCN([C@H](C)C(=O)N2CCOCC2)CC1)N1CCC(C)CC1 ZINC000580968572 1070956750 /nfs/dbraw/zinc/95/67/50/1070956750.db2.gz BWGGIULLEFLNHJ-RTBURBONSA-N 0 3 437.585 -0.386 20 0 IBADHN COCC(=O)N1CCN(C(=O)C(=O)NCc2ccccc2CN2CCC(O)CC2)CC1 ZINC000581004072 1070958409 /nfs/dbraw/zinc/95/84/09/1070958409.db2.gz XOUKAIKKMDITBF-UHFFFAOYSA-N 0 3 432.521 -0.423 20 0 IBADHN CCN1CCN(Cc2ccc(CNC(=O)C(=O)NCc3cc(C(N)=O)no3)cc2)CC1 ZINC000581026363 1070959049 /nfs/dbraw/zinc/95/90/49/1070959049.db2.gz ZNJLPFKASXFUCA-UHFFFAOYSA-N 0 3 428.493 -0.156 20 0 IBADHN CCS(=O)(=O)NCCc1ccc(S(=O)(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)s1 ZINC000581142103 1070963254 /nfs/dbraw/zinc/96/32/54/1070963254.db2.gz HRVYOLCUWSBWRO-AAEUAGOBSA-N 0 3 436.581 -0.838 20 0 IBADHN CCS(=O)(=O)NCCc1ccc(S(=O)(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)s1 ZINC000581142106 1070963637 /nfs/dbraw/zinc/96/36/37/1070963637.db2.gz HRVYOLCUWSBWRO-DGCLKSJQSA-N 0 3 436.581 -0.838 20 0 IBADHN CCS(=O)(=O)NCCc1ccc(S(=O)(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)s1 ZINC000581142107 1070963394 /nfs/dbraw/zinc/96/33/94/1070963394.db2.gz HRVYOLCUWSBWRO-WCQYABFASA-N 0 3 436.581 -0.838 20 0 IBADHN CCS(=O)(=O)NCCc1ccc(S(=O)(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)s1 ZINC000581142108 1070963358 /nfs/dbraw/zinc/96/33/58/1070963358.db2.gz HRVYOLCUWSBWRO-YPMHNXCESA-N 0 3 436.581 -0.838 20 0 IBADHN COc1cc2ncn(CCCC(=O)N3CCN4C(=O)[C@H](N)C[C@H]4C3)c(=O)c2cc1OC ZINC000581143377 1070963331 /nfs/dbraw/zinc/96/33/31/1070963331.db2.gz WCZBUXAGISGCCO-DZGCQCFKSA-N 0 3 429.477 -0.036 20 0 IBADHN COc1cc2ncn(CCCC(=O)N3CCN4C(=O)[C@@H](N)C[C@@H]4C3)c(=O)c2cc1OC ZINC000581143382 1070963305 /nfs/dbraw/zinc/96/33/05/1070963305.db2.gz WCZBUXAGISGCCO-HIFRSBDPSA-N 0 3 429.477 -0.036 20 0 IBADHN COc1cc2ncn(CCCC(=O)N3CCN4C(=O)[C@H](N)C[C@@H]4C3)c(=O)c2cc1OC ZINC000581143383 1070963558 /nfs/dbraw/zinc/96/35/58/1070963558.db2.gz WCZBUXAGISGCCO-UKRRQHHQSA-N 0 3 429.477 -0.036 20 0 IBADHN COc1cc2ncn(CCCC(=O)N3CCN4C(=O)[C@@H](N)C[C@H]4C3)c(=O)c2cc1OC ZINC000581143384 1070963517 /nfs/dbraw/zinc/96/35/17/1070963517.db2.gz WCZBUXAGISGCCO-ZFWWWQNUSA-N 0 3 429.477 -0.036 20 0 IBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N[C@H]2CCCN(CC(F)(F)F)C2=O)CC1 ZINC000581212726 1070964911 /nfs/dbraw/zinc/96/49/11/1070964911.db2.gz UGZLESIQHZFOGB-AWEZNQCLSA-N 0 3 449.474 -0.332 20 0 IBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N[C@@H]2CCCN(CC(F)(F)F)C2=O)CC1 ZINC000581212728 1070964868 /nfs/dbraw/zinc/96/48/68/1070964868.db2.gz UGZLESIQHZFOGB-CQSZACIVSA-N 0 3 449.474 -0.332 20 0 IBADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000581267648 1070967543 /nfs/dbraw/zinc/96/75/43/1070967543.db2.gz BZYRWONTUOKXPI-HNNXBMFYSA-N 0 3 436.600 -0.950 20 0 IBADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NCCS(=O)(=O)N1CCSCC1 ZINC000581267649 1070967635 /nfs/dbraw/zinc/96/76/35/1070967635.db2.gz BZYRWONTUOKXPI-OAHLLOKOSA-N 0 3 436.600 -0.950 20 0 IBADHN CC(C)(C(N)=O)N1CCN(C(=O)C(=O)NCc2ccccc2CN2CCC(O)CC2)CC1 ZINC000581330399 1070970560 /nfs/dbraw/zinc/97/05/60/1070970560.db2.gz AATTVHGCEIJPRU-UHFFFAOYSA-N 0 3 445.564 -0.332 20 0 IBADHN COc1ccc(S(=O)(=O)NCCC(=O)N2CCN3C(=O)[C@H](N)C[C@H]3C2)cc1OC ZINC000581499619 1070980113 /nfs/dbraw/zinc/98/01/13/1070980113.db2.gz MSIRJFQGQCTVJJ-GXTWGEPZSA-N 0 3 426.495 -0.857 20 0 IBADHN COc1ccc(S(=O)(=O)NCCC(=O)N2CCN3C(=O)[C@@H](N)C[C@H]3C2)cc1OC ZINC000581499620 1070980070 /nfs/dbraw/zinc/98/00/70/1070980070.db2.gz MSIRJFQGQCTVJJ-JSGCOSHPSA-N 0 3 426.495 -0.857 20 0 IBADHN COc1ccc(S(=O)(=O)NCCC(=O)N2CCN3C(=O)[C@@H](N)C[C@@H]3C2)cc1OC ZINC000581499621 1070979956 /nfs/dbraw/zinc/97/99/56/1070979956.db2.gz MSIRJFQGQCTVJJ-OCCSQVGLSA-N 0 3 426.495 -0.857 20 0 IBADHN COc1ccc(S(=O)(=O)NCCC(=O)N2CCN3C(=O)[C@H](N)C[C@@H]3C2)cc1OC ZINC000581499622 1070980017 /nfs/dbraw/zinc/98/00/17/1070980017.db2.gz MSIRJFQGQCTVJJ-TZMCWYRMSA-N 0 3 426.495 -0.857 20 0 IBADHN COCC(=O)N1CCN(C(=O)C(=O)NCCCN2CCN(Cc3ccccc3)CC2)CC1 ZINC000581502684 1070980225 /nfs/dbraw/zinc/98/02/25/1070980225.db2.gz ARSCCKKFNZTECE-UHFFFAOYSA-N 0 3 445.564 -0.372 20 0 IBADHN O=C(CN1CCCC1)N1CCN(C(=O)C(=O)NCc2ccc(N3CCOCC3)nc2)CC1 ZINC000581561797 1070982360 /nfs/dbraw/zinc/98/23/60/1070982360.db2.gz KSPTUAGHPYGKNW-UHFFFAOYSA-N 0 3 444.536 -0.699 20 0 IBADHN COCCn1c(N)c(C(=O)CN2CCC(C)(CN3CCN(C)CC3)CC2)c(=O)[nH]c1=O ZINC000581575277 1070984693 /nfs/dbraw/zinc/98/46/93/1070984693.db2.gz IUPAJIUYYMLGSB-UHFFFAOYSA-N 0 3 436.557 -0.290 20 0 IBADHN N[C@H]1C[C@H]2CN(S(=O)(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)CCN2C1=O ZINC000581618696 1070986130 /nfs/dbraw/zinc/98/61/30/1070986130.db2.gz LRHBHKATDIYUAN-BBRMVZONSA-N 0 3 428.536 -0.596 20 0 IBADHN N[C@H]1C[C@@H]2CN(S(=O)(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)CCN2C1=O ZINC000581618697 1070986311 /nfs/dbraw/zinc/98/63/11/1070986311.db2.gz LRHBHKATDIYUAN-CJNGLKHVSA-N 0 3 428.536 -0.596 20 0 IBADHN N[C@@H]1C[C@@H]2CN(S(=O)(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)CCN2C1=O ZINC000581618698 1070986232 /nfs/dbraw/zinc/98/62/32/1070986232.db2.gz LRHBHKATDIYUAN-CZUORRHYSA-N 0 3 428.536 -0.596 20 0 IBADHN N[C@@H]1C[C@H]2CN(S(=O)(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)CCN2C1=O ZINC000581618699 1070986082 /nfs/dbraw/zinc/98/60/82/1070986082.db2.gz LRHBHKATDIYUAN-XJKSGUPXSA-N 0 3 428.536 -0.596 20 0 IBADHN O=C(NCCCN1CCN(c2ncccn2)CC1)C(=O)N1CCN(C2CCOCC2)CC1 ZINC000581621240 1070985956 /nfs/dbraw/zinc/98/59/56/1070985956.db2.gz IMQYIQMEKAOZQB-UHFFFAOYSA-N 0 3 445.568 -0.572 20 0 IBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)N1CCN(c2ccc(F)cn2)CC1 ZINC000581624731 1070986808 /nfs/dbraw/zinc/98/68/08/1070986808.db2.gz XQJKCJSOMBEVGM-KRWDZBQOSA-N 0 3 434.516 -0.072 20 0 IBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)N1CCN(c2ccc(F)cn2)CC1 ZINC000581624732 1070986786 /nfs/dbraw/zinc/98/67/86/1070986786.db2.gz XQJKCJSOMBEVGM-QGZVFWFLSA-N 0 3 434.516 -0.072 20 0 IBADHN Cc1cc(N2CC[C@H](NC(=O)C(=O)N3CC[C@@H](N4CCN(C(C)C)CC4)C3)C2=O)n(C)n1 ZINC000581627703 1070987677 /nfs/dbraw/zinc/98/76/77/1070987677.db2.gz UKVPXCOPKXOBSO-MSOLQXFVSA-N 0 3 445.568 -0.423 20 0 IBADHN Cc1cc(N2CC[C@@H](NC(=O)C(=O)N3CC[C@@H](N4CCN(C(C)C)CC4)C3)C2=O)n(C)n1 ZINC000581627704 1070987771 /nfs/dbraw/zinc/98/77/71/1070987771.db2.gz UKVPXCOPKXOBSO-QZTJIDSGSA-N 0 3 445.568 -0.423 20 0 IBADHN Cc1cc(N2CC[C@H](NC(=O)C(=O)N3CC[C@H](N4CCN(C(C)C)CC4)C3)C2=O)n(C)n1 ZINC000581627705 1070987818 /nfs/dbraw/zinc/98/78/18/1070987818.db2.gz UKVPXCOPKXOBSO-ROUUACIJSA-N 0 3 445.568 -0.423 20 0 IBADHN Cc1cc(N2CC[C@@H](NC(=O)C(=O)N3CC[C@H](N4CCN(C(C)C)CC4)C3)C2=O)n(C)n1 ZINC000581627706 1070987654 /nfs/dbraw/zinc/98/76/54/1070987654.db2.gz UKVPXCOPKXOBSO-ZWKOTPCHSA-N 0 3 445.568 -0.423 20 0 IBADHN CN(C)C[C@H](Cc1ccccc1)NC(=O)C(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000581741667 1070993616 /nfs/dbraw/zinc/99/36/16/1070993616.db2.gz NOTZHPJLKAKROJ-FQEVSTJZSA-N 0 3 445.564 -0.722 20 0 IBADHN CN(C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000581741668 1070993540 /nfs/dbraw/zinc/99/35/40/1070993540.db2.gz NOTZHPJLKAKROJ-HXUWFJFHSA-N 0 3 445.564 -0.722 20 0 IBADHN CCN1CCCC[C@H]1CNC(=O)C(=O)N1CCN([C@H](C)C(=O)NCCCOC)CC1 ZINC000581743206 1070993598 /nfs/dbraw/zinc/99/35/98/1070993598.db2.gz KIJQZHXIDQBVMZ-MSOLQXFVSA-N 0 3 425.574 -0.338 20 0 IBADHN CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CCN([C@H](C)C(=O)NCCCOC)CC1 ZINC000581743207 1070993571 /nfs/dbraw/zinc/99/35/71/1070993571.db2.gz KIJQZHXIDQBVMZ-QZTJIDSGSA-N 0 3 425.574 -0.338 20 0 IBADHN CCN1CCCC[C@H]1CNC(=O)C(=O)N1CCN([C@@H](C)C(=O)NCCCOC)CC1 ZINC000581743208 1070993670 /nfs/dbraw/zinc/99/36/70/1070993670.db2.gz KIJQZHXIDQBVMZ-ROUUACIJSA-N 0 3 425.574 -0.338 20 0 IBADHN CCN1CCCC[C@@H]1CNC(=O)C(=O)N1CCN([C@@H](C)C(=O)NCCCOC)CC1 ZINC000581743209 1070993733 /nfs/dbraw/zinc/99/37/33/1070993733.db2.gz KIJQZHXIDQBVMZ-ZWKOTPCHSA-N 0 3 425.574 -0.338 20 0 IBADHN COc1ccc(S(=O)(=O)NCC(=O)NC[C@H](C)CN2CCN(C)CC2)cc1OC ZINC000581855184 1071001111 /nfs/dbraw/zinc/00/11/11/1071001111.db2.gz MGSSVRHPADRGEP-HNNXBMFYSA-N 0 3 428.555 -0.018 20 0 IBADHN COc1ccc(S(=O)(=O)NCC(=O)NC[C@@H](C)CN2CCN(C)CC2)cc1OC ZINC000581855185 1071001495 /nfs/dbraw/zinc/00/14/95/1071001495.db2.gz MGSSVRHPADRGEP-OAHLLOKOSA-N 0 3 428.555 -0.018 20 0 IBADHN CC(C)Nc1nc(NCCO)nc(NCCN(C)S(=O)(=O)c2ccc(F)cc2)n1 ZINC000582054214 1071065579 /nfs/dbraw/zinc/06/55/79/1071065579.db2.gz JRXISPBYXZOIRZ-UHFFFAOYSA-N 0 3 427.506 -0.767 20 0 IBADHN COCCN(C)CCN1C[C@H](NC(=O)Cn2cc(Br)c(=O)[nH]c2=O)CC1=O ZINC000582143639 1071073559 /nfs/dbraw/zinc/07/35/59/1071073559.db2.gz CYCSINHDABBTEA-LLVKDONJSA-N 0 3 446.302 -0.993 20 0 IBADHN COCCN(C)CCN1C[C@@H](NC(=O)Cn2cc(Br)c(=O)[nH]c2=O)CC1=O ZINC000582143640 1071073428 /nfs/dbraw/zinc/07/34/28/1071073428.db2.gz CYCSINHDABBTEA-NSHDSACASA-N 0 3 446.302 -0.993 20 0 IBADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)NCCS(=O)(=O)N(C)C)cc2)CC1 ZINC000582212158 1071078425 /nfs/dbraw/zinc/07/84/25/1071078425.db2.gz VHKPBMLYGPKHIR-UHFFFAOYSA-N 0 3 425.555 -0.230 20 0 IBADHN N[C@H]1C[C@@H]2CN(S(=O)(=O)c3cccc(S(=O)(=O)N4CCCCC4)c3)CCN2C1=O ZINC000582371346 1071085272 /nfs/dbraw/zinc/08/52/72/1071085272.db2.gz WFRZTEBFBMEUOF-PBHICJAKSA-N 0 3 442.563 -0.206 20 0 IBADHN N[C@@H]1C[C@@H]2CN(S(=O)(=O)c3cccc(S(=O)(=O)N4CCCCC4)c3)CCN2C1=O ZINC000582371347 1071085349 /nfs/dbraw/zinc/08/53/49/1071085349.db2.gz WFRZTEBFBMEUOF-RHSMWYFYSA-N 0 3 442.563 -0.206 20 0 IBADHN N[C@@H]1C[C@H]2CN(S(=O)(=O)c3cccc(S(=O)(=O)N4CCCCC4)c3)CCN2C1=O ZINC000582371348 1071085692 /nfs/dbraw/zinc/08/56/92/1071085692.db2.gz WFRZTEBFBMEUOF-WMLDXEAASA-N 0 3 442.563 -0.206 20 0 IBADHN N[C@H]1C[C@H]2CN(S(=O)(=O)c3cccc(S(=O)(=O)N4CCCCC4)c3)CCN2C1=O ZINC000582371349 1071085610 /nfs/dbraw/zinc/08/56/10/1071085610.db2.gz WFRZTEBFBMEUOF-YOEHRIQHSA-N 0 3 442.563 -0.206 20 0 IBADHN COCC(=O)N1CCC(NC(=O)C(=O)N2CCN(c3ccc(CN(C)C)cn3)CC2)CC1 ZINC000582501743 1071095135 /nfs/dbraw/zinc/09/51/35/1071095135.db2.gz CDEKVZFVYYLDOM-UHFFFAOYSA-N 0 3 446.552 -0.455 20 0 IBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NCc2ncnn2-c2ccccc2)CC1 ZINC000582514733 1071095715 /nfs/dbraw/zinc/09/57/15/1071095715.db2.gz PRVSHJUMROHNGB-UHFFFAOYSA-N 0 3 427.509 -0.104 20 0 IBADHN C[C@@H](C(=O)N1CCCC1)N1CCN(C(=O)C(=O)NCCCCN2CCN(C)CC2)CC1 ZINC000582596250 1071099120 /nfs/dbraw/zinc/09/91/20/1071099120.db2.gz BDQCWQSNRXYZOS-IBGZPJMESA-N 0 3 436.601 -0.715 20 0 IBADHN C[C@H](C(=O)N1CCCC1)N1CCN(C(=O)C(=O)NCCCCN2CCN(C)CC2)CC1 ZINC000582596251 1071099242 /nfs/dbraw/zinc/09/92/42/1071099242.db2.gz BDQCWQSNRXYZOS-LJQANCHMSA-N 0 3 436.601 -0.715 20 0 IBADHN OC[C@H]1O[C@@H](n2cnc3c2ncnc3N2CCN(CCc3cccs3)CC2)[C@H](O)[C@@H]1O ZINC000582622475 1071110926 /nfs/dbraw/zinc/11/09/26/1071110926.db2.gz QUHBLEAGKVITFG-WVSUBDOOSA-N 0 3 446.533 -0.136 20 0 IBADHN CC(C)CN1CCO[C@@H](CNC(=O)C(=O)NCc2cccnc2N2CCN(C)CC2)C1 ZINC000582679894 1071115497 /nfs/dbraw/zinc/11/54/97/1071115497.db2.gz XKKDIORERCAISC-IBGZPJMESA-N 0 3 432.569 -0.077 20 0 IBADHN CC(C)CN1CCO[C@H](CNC(=O)C(=O)NCc2cccnc2N2CCN(C)CC2)C1 ZINC000582679895 1071116475 /nfs/dbraw/zinc/11/64/75/1071116475.db2.gz XKKDIORERCAISC-LJQANCHMSA-N 0 3 432.569 -0.077 20 0 IBADHN COCC(=O)Nc1cccc(CNC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)c1 ZINC000582800380 1071124660 /nfs/dbraw/zinc/12/46/60/1071124660.db2.gz RYDYPNINKRNYAG-GOSISDBHSA-N 0 3 445.520 -0.347 20 0 IBADHN COCC(=O)Nc1cccc(CNC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)c1 ZINC000582800381 1071124688 /nfs/dbraw/zinc/12/46/88/1071124688.db2.gz RYDYPNINKRNYAG-SFHVURJKSA-N 0 3 445.520 -0.347 20 0 IBADHN CC(C)Nc1nc(NCCO)nc(NCCC(=O)N2CCN(c3ccccc3)CC2)n1 ZINC000582876717 1071130546 /nfs/dbraw/zinc/13/05/46/1071130546.db2.gz BICFLVDBMCUUNF-UHFFFAOYSA-N 0 3 428.541 -0.487 20 0 IBADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)NCc2cccc(N3CCOCC3)n2)CC1 ZINC000582919882 1071134038 /nfs/dbraw/zinc/13/40/38/1071134038.db2.gz AZAPLCRMYRPQKA-GOSISDBHSA-N 0 3 432.569 -0.076 20 0 IBADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)NCc2cccc(N3CCOCC3)n2)CC1 ZINC000582919883 1071133910 /nfs/dbraw/zinc/13/39/10/1071133910.db2.gz AZAPLCRMYRPQKA-SFHVURJKSA-N 0 3 432.569 -0.076 20 0 IBADHN CC1CCN(CCNC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)ncn3)CC2)CC1 ZINC000583029787 1071144036 /nfs/dbraw/zinc/14/40/36/1071144036.db2.gz AXHOJARMPXPDEV-UHFFFAOYSA-N 0 3 445.568 -0.190 20 0 IBADHN CCN1CCN(CCNS(=O)(=O)CCOCCN2C(=O)c3ccccc3C2=O)CC1 ZINC000583049843 1071146493 /nfs/dbraw/zinc/14/64/93/1071146493.db2.gz GKYAAGSYQDGZAN-UHFFFAOYSA-N 0 3 438.550 -0.144 20 0 IBADHN CN(C)C(=O)Cn1cnc(NC(=O)C(=O)NCC2(N3CCSCC3)CCCCC2)n1 ZINC000583327845 1073305748 /nfs/dbraw/zinc/30/57/48/1073305748.db2.gz IFQKUJTUVCJFGM-UHFFFAOYSA-N 0 3 437.570 0.173 20 0 IBADHN O=C(CN1CCCC1)N1CCN(C(=O)C(=O)N[C@@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000583339873 1071160398 /nfs/dbraw/zinc/16/03/98/1071160398.db2.gz IPDQDWSODITVJZ-GOSISDBHSA-N 0 3 427.505 -0.325 20 0 IBADHN O=C(CN1CCCC1)N1CCN(C(=O)C(=O)N[C@H]2CCN(c3ccccc3)C2=O)CC1 ZINC000583339874 1071160386 /nfs/dbraw/zinc/16/03/86/1071160386.db2.gz IPDQDWSODITVJZ-SFHVURJKSA-N 0 3 427.505 -0.325 20 0 IBADHN CNC(=O)C[C@@H](NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1)c1ccccc1 ZINC000583342265 1071160568 /nfs/dbraw/zinc/16/05/68/1071160568.db2.gz XRNCOHLAZOEXBZ-MSOLQXFVSA-N 0 3 429.521 -0.255 20 0 IBADHN CNC(=O)C[C@@H](NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1)c1ccccc1 ZINC000583342266 1071160528 /nfs/dbraw/zinc/16/05/28/1071160528.db2.gz XRNCOHLAZOEXBZ-QZTJIDSGSA-N 0 3 429.521 -0.255 20 0 IBADHN CNC(=O)C[C@H](NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1)c1ccccc1 ZINC000583342267 1071160510 /nfs/dbraw/zinc/16/05/10/1071160510.db2.gz XRNCOHLAZOEXBZ-ROUUACIJSA-N 0 3 429.521 -0.255 20 0 IBADHN CNC(=O)C[C@H](NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1)c1ccccc1 ZINC000583342268 1071160553 /nfs/dbraw/zinc/16/05/53/1071160553.db2.gz XRNCOHLAZOEXBZ-ZWKOTPCHSA-N 0 3 429.521 -0.255 20 0 IBADHN COCCN1CC[C@@H](NC(=O)C(=O)N2CCC(OCCN3C[C@@H](C)O[C@@H](C)C3)CC2)C1 ZINC000583398902 1071163659 /nfs/dbraw/zinc/16/36/59/1071163659.db2.gz OYFRRIVLYLVXMI-CEXWTWQISA-N 0 3 440.585 -0.060 20 0 IBADHN COCCN1CC[C@H](NC(=O)C(=O)N2CCC(OCCN3C[C@H](C)O[C@@H](C)C3)CC2)C1 ZINC000583398903 1071163848 /nfs/dbraw/zinc/16/38/48/1071163848.db2.gz OYFRRIVLYLVXMI-FHWLQOOXSA-N 0 3 440.585 -0.060 20 0 IBADHN COCCN1CC[C@H](NC(=O)C(=O)N2CCC(OCCN3C[C@@H](C)O[C@@H](C)C3)CC2)C1 ZINC000583398904 1071163957 /nfs/dbraw/zinc/16/39/57/1071163957.db2.gz OYFRRIVLYLVXMI-OTWHNJEPSA-N 0 3 440.585 -0.060 20 0 IBADHN COCCN1CC[C@H](NC(=O)C(=O)N2CCC(OCCN3C[C@@H](C)O[C@H](C)C3)CC2)C1 ZINC000583398905 1071164005 /nfs/dbraw/zinc/16/40/05/1071164005.db2.gz OYFRRIVLYLVXMI-QRVBRYPASA-N 0 3 440.585 -0.060 20 0 IBADHN N[C@@H]1C[C@@H]2CN(C(=O)[C@H]3CN(Cc4nc5ccccc5c(=O)[nH]4)CCO3)CCN2C1=O ZINC000583451940 1071166310 /nfs/dbraw/zinc/16/63/10/1071166310.db2.gz NSBSOBGTKXBJJG-FRFSOERESA-N 0 3 426.477 -0.693 20 0 IBADHN N[C@@H]1C[C@H]2CN(C(=O)[C@@H]3CN(Cc4nc5ccccc5c(=O)[nH]4)CCO3)CCN2C1=O ZINC000583451941 1071166340 /nfs/dbraw/zinc/16/63/40/1071166340.db2.gz NSBSOBGTKXBJJG-LXZKKBNFSA-N 0 3 426.477 -0.693 20 0 IBADHN N[C@@H]1C[C@@H]2CN(C(=O)[C@@H]3CN(Cc4nc5ccccc5c(=O)[nH]4)CCO3)CCN2C1=O ZINC000583451942 1071166328 /nfs/dbraw/zinc/16/63/28/1071166328.db2.gz NSBSOBGTKXBJJG-UNEWFSDZSA-N 0 3 426.477 -0.693 20 0 IBADHN N[C@@H]1C[C@H]2CN(C(=O)[C@H]3CN(Cc4nc5ccccc5c(=O)[nH]4)CCO3)CCN2C1=O ZINC000583451943 1071166004 /nfs/dbraw/zinc/16/60/04/1071166004.db2.gz NSBSOBGTKXBJJG-YSVLISHTSA-N 0 3 426.477 -0.693 20 0 IBADHN C[C@H](NC(=O)C(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1)C1=CCN(C)CC1 ZINC000583467539 1071168610 /nfs/dbraw/zinc/16/86/10/1071168610.db2.gz DUXDPVPWIMDRAN-AWEZNQCLSA-N 0 3 425.511 -0.585 20 0 IBADHN C[C@@H](NC(=O)C(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1)C1=CCN(C)CC1 ZINC000583467540 1071168754 /nfs/dbraw/zinc/16/87/54/1071168754.db2.gz DUXDPVPWIMDRAN-CQSZACIVSA-N 0 3 425.511 -0.585 20 0 IBADHN O=C(NCCCCN1CCN(CCO)CC1)C(=O)N1CCO[C@H](c2cccc(O)c2)C1 ZINC000583506398 1072497180 /nfs/dbraw/zinc/49/71/80/1072497180.db2.gz AYNPGGRHHSEERL-FQEVSTJZSA-N 0 3 434.537 -0.202 20 0 IBADHN O=C(NCCCCN1CCN(CCO)CC1)C(=O)N1CCO[C@@H](c2cccc(O)c2)C1 ZINC000583506399 1071170288 /nfs/dbraw/zinc/17/02/88/1071170288.db2.gz AYNPGGRHHSEERL-HXUWFJFHSA-N 0 3 434.537 -0.202 20 0 IBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N[C@@H]2CCCN(c3cc(C)nn3C)C2)CC1 ZINC000583527444 1071171691 /nfs/dbraw/zinc/17/16/91/1071171691.db2.gz DCJBRLBELIPFPO-GOSISDBHSA-N 0 3 447.584 -0.174 20 0 IBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N[C@H]2CCCN(c3cc(C)nn3C)C2)CC1 ZINC000583527445 1071171790 /nfs/dbraw/zinc/17/17/90/1071171790.db2.gz DCJBRLBELIPFPO-SFHVURJKSA-N 0 3 447.584 -0.174 20 0 IBADHN Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N3CCN4C(=O)[C@@H](N)C[C@@H]4C3)CC2)cc1 ZINC000583642134 1071186566 /nfs/dbraw/zinc/18/65/66/1071186566.db2.gz PWXYRGCVQROHAI-AEFFLSMTSA-N 0 3 435.550 -0.928 20 0 IBADHN Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N3CCN4C(=O)[C@H](N)C[C@H]4C3)CC2)cc1 ZINC000583642135 1071186607 /nfs/dbraw/zinc/18/66/07/1071186607.db2.gz PWXYRGCVQROHAI-FUHWJXTLSA-N 0 3 435.550 -0.928 20 0 IBADHN Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N3CCN4C(=O)[C@H](N)C[C@@H]4C3)CC2)cc1 ZINC000583642136 1071186476 /nfs/dbraw/zinc/18/64/76/1071186476.db2.gz PWXYRGCVQROHAI-SJLPKXTDSA-N 0 3 435.550 -0.928 20 0 IBADHN Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N3CCN4C(=O)[C@@H](N)C[C@H]4C3)CC2)cc1 ZINC000583642137 1071186501 /nfs/dbraw/zinc/18/65/01/1071186501.db2.gz PWXYRGCVQROHAI-WMZOPIPTSA-N 0 3 435.550 -0.928 20 0 IBADHN CCc1nc(CN(C(C)=O)[C@H]2CCN(c3nc(NCCO)nc(NC(C)C)n3)C2)no1 ZINC000583648415 1071193693 /nfs/dbraw/zinc/19/36/93/1071193693.db2.gz IYNRIJAOMZGFCR-AWEZNQCLSA-N 0 3 433.517 -0.487 20 0 IBADHN CCc1nc(CN(C(C)=O)[C@@H]2CCN(c3nc(NCCO)nc(NC(C)C)n3)C2)no1 ZINC000583648416 1071193770 /nfs/dbraw/zinc/19/37/70/1071193770.db2.gz IYNRIJAOMZGFCR-CQSZACIVSA-N 0 3 433.517 -0.487 20 0 IBADHN CN(C)[C@]1(CNC(=O)C(=O)N2CCN(c3ncnc4c3cnn4C)CC2)CCSC1 ZINC000583707584 1071197491 /nfs/dbraw/zinc/19/74/91/1071197491.db2.gz HXJMHZXQXKAYHE-IBGZPJMESA-N 0 3 432.554 -0.435 20 0 IBADHN CN(C)[C@@]1(CNC(=O)C(=O)N2CCN(c3ncnc4c3cnn4C)CC2)CCSC1 ZINC000583707585 1071197381 /nfs/dbraw/zinc/19/73/81/1071197381.db2.gz HXJMHZXQXKAYHE-LJQANCHMSA-N 0 3 432.554 -0.435 20 0 IBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCc2cccc(-n3cncn3)c2)CC1 ZINC000583818154 1071203404 /nfs/dbraw/zinc/20/34/04/1071203404.db2.gz PFCJBMULNNTMHI-GOSISDBHSA-N 0 3 425.493 -0.352 20 0 IBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCc2cccc(-n3cncn3)c2)CC1 ZINC000583818155 1071203339 /nfs/dbraw/zinc/20/33/39/1071203339.db2.gz PFCJBMULNNTMHI-SFHVURJKSA-N 0 3 425.493 -0.352 20 0 IBADHN CCNc1nc(NC2CCN(S(=O)(=O)N3CCOCC3)CC2)nc(NC(C)(C)C)n1 ZINC000583986187 1071210334 /nfs/dbraw/zinc/21/03/34/1071210334.db2.gz QGTRMEZNZUJVPN-UHFFFAOYSA-N 0 3 442.590 -0.189 20 0 IBADHN N[C@@H]1C[C@H]2CN(C(=O)CCNS(=O)(=O)c3ccc(Br)cc3)CCN2C1=O ZINC000584005022 1071210922 /nfs/dbraw/zinc/21/09/22/1071210922.db2.gz FSFFUAYHSIIONG-GXTWGEPZSA-N 0 3 445.339 -0.112 20 0 IBADHN N[C@H]1C[C@H]2CN(C(=O)CCNS(=O)(=O)c3ccc(Br)cc3)CCN2C1=O ZINC000584005023 1071210870 /nfs/dbraw/zinc/21/08/70/1071210870.db2.gz FSFFUAYHSIIONG-JSGCOSHPSA-N 0 3 445.339 -0.112 20 0 IBADHN N[C@H]1C[C@@H]2CN(C(=O)CCNS(=O)(=O)c3ccc(Br)cc3)CCN2C1=O ZINC000584005024 1071210969 /nfs/dbraw/zinc/21/09/69/1071210969.db2.gz FSFFUAYHSIIONG-OCCSQVGLSA-N 0 3 445.339 -0.112 20 0 IBADHN N[C@@H]1C[C@@H]2CN(C(=O)CCNS(=O)(=O)c3ccc(Br)cc3)CCN2C1=O ZINC000584005025 1071210948 /nfs/dbraw/zinc/21/09/48/1071210948.db2.gz FSFFUAYHSIIONG-TZMCWYRMSA-N 0 3 445.339 -0.112 20 0 IBADHN CCN1CCN(Cc2ccc(CNC(=O)C(=O)N3CCO[C@@H](CNC(C)=O)C3)cc2)CC1 ZINC000584008425 1071211884 /nfs/dbraw/zinc/21/18/84/1071211884.db2.gz QUASLQRRVZZQPK-NRFANRHFSA-N 0 3 445.564 -0.196 20 0 IBADHN CCN1CCN(Cc2ccc(CNC(=O)C(=O)N3CCO[C@H](CNC(C)=O)C3)cc2)CC1 ZINC000584008426 1071211832 /nfs/dbraw/zinc/21/18/32/1071211832.db2.gz QUASLQRRVZZQPK-OAQYLSRUSA-N 0 3 445.564 -0.196 20 0 IBADHN Cc1cc(N2CCC(NC(=O)C(=O)N3CCN(C(=O)[C@@H]4CCCN4C)CC3)CC2)n[nH]1 ZINC000584021071 1071212626 /nfs/dbraw/zinc/21/26/26/1071212626.db2.gz FDHCJPYPPPOYFU-KRWDZBQOSA-N 0 3 431.541 -0.432 20 0 IBADHN Cc1cc(N2CCC(NC(=O)C(=O)N3CCN(C(=O)[C@H]4CCCN4C)CC3)CC2)n[nH]1 ZINC000584021072 1071212558 /nfs/dbraw/zinc/21/25/58/1071212558.db2.gz FDHCJPYPPPOYFU-QGZVFWFLSA-N 0 3 431.541 -0.432 20 0 IBADHN Cc1cc(C)nc(N2CCN(C(=O)C(=O)NCCCN3CCC[C@@H]3C(=O)N(C)C)CC2)n1 ZINC000584060588 1071214268 /nfs/dbraw/zinc/21/42/68/1071214268.db2.gz UZZLIFBVBYTZBA-GOSISDBHSA-N 0 3 445.568 -0.199 20 0 IBADHN Cc1cc(C)nc(N2CCN(C(=O)C(=O)NCCCN3CCC[C@H]3C(=O)N(C)C)CC2)n1 ZINC000584060589 1071214422 /nfs/dbraw/zinc/21/44/22/1071214422.db2.gz UZZLIFBVBYTZBA-SFHVURJKSA-N 0 3 445.568 -0.199 20 0 IBADHN C[C@@H]1C[C@@H]1N1CCN(C(=O)C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)C[C@@H](C)C1 ZINC000584068602 1073306245 /nfs/dbraw/zinc/30/62/45/1073306245.db2.gz SLXGTVWXENMNOB-BBWFWOEESA-N 0 3 432.525 -0.131 20 0 IBADHN C[C@@H]1C[C@H]1N1CCN(C(=O)C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)C[C@@H](C)C1 ZINC000584068603 1073307257 /nfs/dbraw/zinc/30/72/57/1073307257.db2.gz SLXGTVWXENMNOB-GVDBMIGSSA-N 0 3 432.525 -0.131 20 0 IBADHN C[C@H]1C[C@@H]1N1CCN(C(=O)C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)C[C@@H](C)C1 ZINC000584068604 1073315095 /nfs/dbraw/zinc/31/50/95/1073315095.db2.gz SLXGTVWXENMNOB-ULQDDVLXSA-N 0 3 432.525 -0.131 20 0 IBADHN C[C@H]1C[C@H]1N1CCN(C(=O)C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)C[C@@H](C)C1 ZINC000584068605 1073315945 /nfs/dbraw/zinc/31/59/45/1073315945.db2.gz SLXGTVWXENMNOB-YESZJQIVSA-N 0 3 432.525 -0.131 20 0 IBADHN CNC(=O)C1(C(=O)N(C)CCN(CCN2CCCCC2)C(=O)C2(C(=O)NC)CC2)CC1 ZINC000584253895 1071219110 /nfs/dbraw/zinc/21/91/10/1071219110.db2.gz SVRUSUAKVGXDMX-UHFFFAOYSA-N 0 3 435.569 -0.188 20 0 IBADHN C[C@H]1C[C@@H](NC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)ncn3)CC2)CN1C1CC1 ZINC000584316874 1071265981 /nfs/dbraw/zinc/26/59/81/1071265981.db2.gz LUABOASHGUJYND-DLBZAZTESA-N 0 3 443.552 -0.297 20 0 IBADHN C[C@@H]1C[C@@H](NC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)ncn3)CC2)CN1C1CC1 ZINC000584316875 1071220753 /nfs/dbraw/zinc/22/07/53/1071220753.db2.gz LUABOASHGUJYND-IAGOWNOFSA-N 0 3 443.552 -0.297 20 0 IBADHN C[C@H]1C[C@H](NC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)ncn3)CC2)CN1C1CC1 ZINC000584316876 1071220502 /nfs/dbraw/zinc/22/05/02/1071220502.db2.gz LUABOASHGUJYND-IRXDYDNUSA-N 0 3 443.552 -0.297 20 0 IBADHN C[C@@H]1C[C@H](NC(=O)C(=O)N2CCN(c3cc(N4CCOCC4)ncn3)CC2)CN1C1CC1 ZINC000584316877 1071266139 /nfs/dbraw/zinc/26/61/39/1071266139.db2.gz LUABOASHGUJYND-SJORKVTESA-N 0 3 443.552 -0.297 20 0 IBADHN O=C(CN1CCCC1)N1CCN(C(=O)C(=O)N[C@H]2CCN(c3ccccc3F)C2=O)CC1 ZINC000584369285 1071222063 /nfs/dbraw/zinc/22/20/63/1071222063.db2.gz PTRKRCDXMZUVKU-KRWDZBQOSA-N 0 3 445.495 -0.186 20 0 IBADHN O=C(CN1CCCC1)N1CCN(C(=O)C(=O)N[C@@H]2CCN(c3ccccc3F)C2=O)CC1 ZINC000584369286 1071222286 /nfs/dbraw/zinc/22/22/86/1071222286.db2.gz PTRKRCDXMZUVKU-QGZVFWFLSA-N 0 3 445.495 -0.186 20 0 IBADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@@H]1CCCN(Cc2nccn2C)C1=O ZINC000584431966 1071224596 /nfs/dbraw/zinc/22/45/96/1071224596.db2.gz IWXVFQSPVIMSKY-DLBZAZTESA-N 0 3 434.541 -0.404 20 0 IBADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N[C@@H]1CCCN(Cc2nccn2C)C1=O ZINC000584431967 1071224530 /nfs/dbraw/zinc/22/45/30/1071224530.db2.gz IWXVFQSPVIMSKY-IAGOWNOFSA-N 0 3 434.541 -0.404 20 0 IBADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)N[C@H]1CCCN(Cc2nccn2C)C1=O ZINC000584431968 1071224622 /nfs/dbraw/zinc/22/46/22/1071224622.db2.gz IWXVFQSPVIMSKY-IRXDYDNUSA-N 0 3 434.541 -0.404 20 0 IBADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)N[C@H]1CCCN(Cc2nccn2C)C1=O ZINC000584431969 1071224790 /nfs/dbraw/zinc/22/47/90/1071224790.db2.gz IWXVFQSPVIMSKY-SJORKVTESA-N 0 3 434.541 -0.404 20 0 IBADHN CNC(=O)C[C@@H](NC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1)c1ccccc1 ZINC000584489388 1071282172 /nfs/dbraw/zinc/28/21/72/1071282172.db2.gz FFIPUXUPCCPXSZ-GOSISDBHSA-N 0 3 429.521 -0.253 20 0 IBADHN CNC(=O)C[C@H](NC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1)c1ccccc1 ZINC000584489389 1071282081 /nfs/dbraw/zinc/28/20/81/1071282081.db2.gz FFIPUXUPCCPXSZ-SFHVURJKSA-N 0 3 429.521 -0.253 20 0 IBADHN Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)NC[C@H](C)CN2CCN(C)CC2)s1 ZINC000584581296 1071353985 /nfs/dbraw/zinc/35/39/85/1071353985.db2.gz KTCHLSMFOYTROM-AWEZNQCLSA-N 0 3 445.611 -0.549 20 0 IBADHN Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)NC[C@@H](C)CN2CCN(C)CC2)s1 ZINC000584581297 1071354399 /nfs/dbraw/zinc/35/43/99/1071354399.db2.gz KTCHLSMFOYTROM-CQSZACIVSA-N 0 3 445.611 -0.549 20 0 IBADHN CN1CCN(CCCNC(=O)C(=O)NCc2cc(C(N)=O)no2)[C@@H](c2ccccc2)C1 ZINC000584712754 1071358411 /nfs/dbraw/zinc/35/84/11/1071358411.db2.gz SEVSPHDSMFSILH-GOSISDBHSA-N 0 3 428.493 -0.115 20 0 IBADHN CN1CCN(CCCNC(=O)C(=O)NCc2cc(C(N)=O)no2)[C@H](c2ccccc2)C1 ZINC000584712758 1071358611 /nfs/dbraw/zinc/35/86/11/1071358611.db2.gz SEVSPHDSMFSILH-SFHVURJKSA-N 0 3 428.493 -0.115 20 0 IBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N[C@H]2CCCN(CC(F)(F)F)C2=O)CC1 ZINC000584742080 1071358979 /nfs/dbraw/zinc/35/89/79/1071358979.db2.gz XVRZWBRUJGCFIN-KBPBESRZSA-N 0 3 447.458 -0.579 20 0 IBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N[C@@H]2CCCN(CC(F)(F)F)C2=O)CC1 ZINC000584742081 1071358938 /nfs/dbraw/zinc/35/89/38/1071358938.db2.gz XVRZWBRUJGCFIN-KGLIPLIRSA-N 0 3 447.458 -0.579 20 0 IBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N[C@H]2CCCN(CC(F)(F)F)C2=O)CC1 ZINC000584742082 1071359159 /nfs/dbraw/zinc/35/91/59/1071359159.db2.gz XVRZWBRUJGCFIN-UONOGXRCSA-N 0 3 447.458 -0.579 20 0 IBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N[C@@H]2CCCN(CC(F)(F)F)C2=O)CC1 ZINC000584742083 1071359291 /nfs/dbraw/zinc/35/92/91/1071359291.db2.gz XVRZWBRUJGCFIN-ZIAGYGMSSA-N 0 3 447.458 -0.579 20 0 IBADHN COc1cnccc1N1CCN(C(=O)C(=O)NC[C@H]2CCCN2S(C)(=O)=O)CC1 ZINC000584807082 1071362141 /nfs/dbraw/zinc/36/21/41/1071362141.db2.gz WFDURQRZWYSORE-CQSZACIVSA-N 0 3 425.511 -0.721 20 0 IBADHN N[C@H]1C[C@H]2CN(C(=O)CNS(=O)(=O)c3ccc(Br)cc3)CCN2C1=O ZINC000584848810 1071362693 /nfs/dbraw/zinc/36/26/93/1071362693.db2.gz CHYJHNKJHNSKMO-AAEUAGOBSA-N 0 3 431.312 -0.502 20 0 IBADHN N[C@@H]1C[C@@H]2CN(C(=O)CNS(=O)(=O)c3ccc(Br)cc3)CCN2C1=O ZINC000584848811 1071362586 /nfs/dbraw/zinc/36/25/86/1071362586.db2.gz CHYJHNKJHNSKMO-DGCLKSJQSA-N 0 3 431.312 -0.502 20 0 IBADHN N[C@@H]1C[C@H]2CN(C(=O)CNS(=O)(=O)c3ccc(Br)cc3)CCN2C1=O ZINC000584848812 1071362620 /nfs/dbraw/zinc/36/26/20/1071362620.db2.gz CHYJHNKJHNSKMO-WCQYABFASA-N 0 3 431.312 -0.502 20 0 IBADHN N[C@H]1C[C@@H]2CN(C(=O)CNS(=O)(=O)c3ccc(Br)cc3)CCN2C1=O ZINC000584848813 1071362648 /nfs/dbraw/zinc/36/26/48/1071362648.db2.gz CHYJHNKJHNSKMO-YPMHNXCESA-N 0 3 431.312 -0.502 20 0 IBADHN CCNC(=O)c1ccc(CNC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)cc1 ZINC000584852696 1071362934 /nfs/dbraw/zinc/36/29/34/1071362934.db2.gz CDATVAZKHVCQEH-GOSISDBHSA-N 0 3 429.521 -0.183 20 0 IBADHN CCNC(=O)c1ccc(CNC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)cc1 ZINC000584852697 1071362893 /nfs/dbraw/zinc/36/28/93/1071362893.db2.gz CDATVAZKHVCQEH-SFHVURJKSA-N 0 3 429.521 -0.183 20 0 IBADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N2CCO[C@@H](C(=O)OC(C)(C)C)C2)CC1 ZINC000585737187 1071459182 /nfs/dbraw/zinc/45/91/82/1071459182.db2.gz LHANRPMQHIONIG-DLBZAZTESA-N 0 3 426.558 -0.055 20 0 IBADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N2CCO[C@@H](C(=O)OC(C)(C)C)C2)CC1 ZINC000585737194 1071459144 /nfs/dbraw/zinc/45/91/44/1071459144.db2.gz LHANRPMQHIONIG-IAGOWNOFSA-N 0 3 426.558 -0.055 20 0 IBADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N2CCO[C@H](C(=O)OC(C)(C)C)C2)CC1 ZINC000585737195 1071459076 /nfs/dbraw/zinc/45/90/76/1071459076.db2.gz LHANRPMQHIONIG-IRXDYDNUSA-N 0 3 426.558 -0.055 20 0 IBADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N2CCO[C@H](C(=O)OC(C)(C)C)C2)CC1 ZINC000585737196 1071459222 /nfs/dbraw/zinc/45/92/22/1071459222.db2.gz LHANRPMQHIONIG-SJORKVTESA-N 0 3 426.558 -0.055 20 0 IBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)N1CCO[C@H](C(=O)OC(C)(C)C)C1 ZINC000586873870 1073677661 /nfs/dbraw/zinc/67/76/61/1073677661.db2.gz SZWVGNYDSWRYTQ-CVEARBPZSA-N 0 3 440.541 -0.386 20 0 IBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)N1CCO[C@H](C(=O)OC(C)(C)C)C1 ZINC000586873871 1073677677 /nfs/dbraw/zinc/67/76/77/1073677677.db2.gz SZWVGNYDSWRYTQ-HOTGVXAUSA-N 0 3 440.541 -0.386 20 0 IBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)N1CCO[C@@H](C(=O)OC(C)(C)C)C1 ZINC000586873872 1073677646 /nfs/dbraw/zinc/67/76/46/1073677646.db2.gz SZWVGNYDSWRYTQ-HZPDHXFCSA-N 0 3 440.541 -0.386 20 0 IBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)N1CCO[C@@H](C(=O)OC(C)(C)C)C1 ZINC000586873873 1073677602 /nfs/dbraw/zinc/67/76/02/1073677602.db2.gz SZWVGNYDSWRYTQ-JKSUJKDBSA-N 0 3 440.541 -0.386 20 0 IBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000587111098 1073677566 /nfs/dbraw/zinc/67/75/66/1073677566.db2.gz NNNJKIJNMRSAGI-HNNXBMFYSA-N 0 3 431.497 -0.304 20 0 IBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)Nc1cnc2c(c1)c(=O)n(C)c(=O)n2C ZINC000587111108 1073677630 /nfs/dbraw/zinc/67/76/30/1073677630.db2.gz NNNJKIJNMRSAGI-OAHLLOKOSA-N 0 3 431.497 -0.304 20 0 IBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)Nc1ccc2c(c1)n(C)c(=O)n2C ZINC000587980646 1072164818 /nfs/dbraw/zinc/16/48/18/1072164818.db2.gz CSTGXJZZBXFNEN-INIZCTEOSA-N 0 3 430.509 -0.126 20 0 IBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)Nc1ccc2c(c1)n(C)c(=O)n2C ZINC000587980647 1072164884 /nfs/dbraw/zinc/16/48/84/1072164884.db2.gz CSTGXJZZBXFNEN-MRXNPFEDSA-N 0 3 430.509 -0.126 20 0 IBADHN Cc1c(NC(=O)C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)cccc1-n1cnnn1 ZINC000587980692 1072164871 /nfs/dbraw/zinc/16/48/71/1072164871.db2.gz IAIUQQFPEWWLMS-KRWDZBQOSA-N 0 3 428.497 -0.032 20 0 IBADHN Cc1c(NC(=O)C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)cccc1-n1cnnn1 ZINC000587980693 1072164921 /nfs/dbraw/zinc/16/49/21/1072164921.db2.gz IAIUQQFPEWWLMS-QGZVFWFLSA-N 0 3 428.497 -0.032 20 0 IBADHN Cc1cc(NC(=O)C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)ccc1-n1cnnn1 ZINC000587980736 1072164902 /nfs/dbraw/zinc/16/49/02/1072164902.db2.gz MCQCWXOUBMWFQE-KRWDZBQOSA-N 0 3 428.497 -0.032 20 0 IBADHN Cc1cc(NC(=O)C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)ccc1-n1cnnn1 ZINC000587980737 1072165013 /nfs/dbraw/zinc/16/50/13/1072165013.db2.gz MCQCWXOUBMWFQE-QGZVFWFLSA-N 0 3 428.497 -0.032 20 0 IBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O ZINC000587980814 1072164929 /nfs/dbraw/zinc/16/49/29/1072164929.db2.gz UEQQEJWWNQNJLA-INIZCTEOSA-N 0 3 429.477 -0.090 20 0 IBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)Nc1ccc2c(c1)C(=O)N(C)C2=O ZINC000587980815 1072165000 /nfs/dbraw/zinc/16/50/00/1072165000.db2.gz UEQQEJWWNQNJLA-MRXNPFEDSA-N 0 3 429.477 -0.090 20 0 IBADHN CN(C)CCn1c2cc(NC(=O)C(=O)NCCNC(=O)c3cnccn3)ccc2oc1=O ZINC000588328394 1072178036 /nfs/dbraw/zinc/17/80/36/1072178036.db2.gz SNBDVXCBVWJDBQ-UHFFFAOYSA-N 0 3 441.448 -0.569 20 0 IBADHN C[C@@H]1CN(CC2CCN(C(=O)Cn3c(=O)c4c(ncn4C)n(C)c3=O)CC2)C[C@H](C)O1 ZINC000588661468 1072179461 /nfs/dbraw/zinc/17/94/61/1072179461.db2.gz XVVMTOFARDZWMS-GASCZTMLSA-N 0 3 432.525 -0.219 20 0 IBADHN C[C@H]1CN(CC2CCN(C(=O)Cn3c(=O)c4c(ncn4C)n(C)c3=O)CC2)C[C@H](C)O1 ZINC000588661469 1072179272 /nfs/dbraw/zinc/17/92/72/1072179272.db2.gz XVVMTOFARDZWMS-GJZGRUSLSA-N 0 3 432.525 -0.219 20 0 IBADHN C[C@@H]1CN(CC2CCN(C(=O)Cn3c(=O)c4c(ncn4C)n(C)c3=O)CC2)C[C@@H](C)O1 ZINC000588661470 1072179344 /nfs/dbraw/zinc/17/93/44/1072179344.db2.gz XVVMTOFARDZWMS-HUUCEWRRSA-N 0 3 432.525 -0.219 20 0 IBADHN NC(=O)[C@@H]1CCCN1C1CCN(C(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)CC1 ZINC000588699511 1072180598 /nfs/dbraw/zinc/18/05/98/1072180598.db2.gz DPZSNMLMQGEAHG-IBGZPJMESA-N 0 3 439.516 -0.001 20 0 IBADHN NC(=O)[C@H]1CCCN1C1CCN(C(=O)Cn2c(=O)ccn(Cc3ccccc3)c2=O)CC1 ZINC000588699516 1072180656 /nfs/dbraw/zinc/18/06/56/1072180656.db2.gz DPZSNMLMQGEAHG-LJQANCHMSA-N 0 3 439.516 -0.001 20 0 IBADHN Cc1nc(S(=O)(=O)NCCC(=O)N2CCC(N3CCC[C@H]3C(N)=O)CC2)cn1C ZINC000588701403 1072180548 /nfs/dbraw/zinc/18/05/48/1072180548.db2.gz PUWSFSCLSIVASG-HNNXBMFYSA-N 0 3 426.543 -0.662 20 0 IBADHN Cc1nc(S(=O)(=O)NCCC(=O)N2CCC(N3CCC[C@@H]3C(N)=O)CC2)cn1C ZINC000588701424 1072180756 /nfs/dbraw/zinc/18/07/56/1072180756.db2.gz PUWSFSCLSIVASG-OAHLLOKOSA-N 0 3 426.543 -0.662 20 0 IBADHN CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)N2CC[C@@H](N3CC[C@H](O)C3)C2)cc1 ZINC000588861316 1072186698 /nfs/dbraw/zinc/18/66/98/1072186698.db2.gz QCQWHPWRSSMDPO-CVEARBPZSA-N 0 3 425.507 -0.191 20 0 IBADHN CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)N2CC[C@H](N3CC[C@H](O)C3)C2)cc1 ZINC000588861317 1072186753 /nfs/dbraw/zinc/18/67/53/1072186753.db2.gz QCQWHPWRSSMDPO-HOTGVXAUSA-N 0 3 425.507 -0.191 20 0 IBADHN CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)N2CC[C@@H](N3CC[C@@H](O)C3)C2)cc1 ZINC000588861318 1072186804 /nfs/dbraw/zinc/18/68/04/1072186804.db2.gz QCQWHPWRSSMDPO-HZPDHXFCSA-N 0 3 425.507 -0.191 20 0 IBADHN CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)N2CC[C@H](N3CC[C@@H](O)C3)C2)cc1 ZINC000588861319 1072186973 /nfs/dbraw/zinc/18/69/73/1072186973.db2.gz QCQWHPWRSSMDPO-JKSUJKDBSA-N 0 3 425.507 -0.191 20 0 IBADHN CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](CO)CN(C)C)CC2)o1 ZINC000588863882 1072186863 /nfs/dbraw/zinc/18/68/63/1072186863.db2.gz ZSTMGAMBBXOSCX-AWEZNQCLSA-N 0 3 431.511 -0.104 20 0 IBADHN CCOC(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N[C@@H](CO)CN(C)C)CC2)o1 ZINC000588863889 1072186840 /nfs/dbraw/zinc/18/68/40/1072186840.db2.gz ZSTMGAMBBXOSCX-CQSZACIVSA-N 0 3 431.511 -0.104 20 0 IBADHN COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)N[C@H](CO)CN(C)C)CC1 ZINC000588866599 1072187450 /nfs/dbraw/zinc/18/74/50/1072187450.db2.gz NKCPDLQHMLKHMK-HNNXBMFYSA-N 0 3 427.523 -0.087 20 0 IBADHN COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)N[C@@H](CO)CN(C)C)CC1 ZINC000588866618 1072187413 /nfs/dbraw/zinc/18/74/13/1072187413.db2.gz NKCPDLQHMLKHMK-OAHLLOKOSA-N 0 3 427.523 -0.087 20 0 IBADHN COCCN(C)CCNC(=O)c1ccc(S(=O)(=O)N2CCN(C(C)=O)CC2)cc1 ZINC000588934719 1072188635 /nfs/dbraw/zinc/18/86/35/1072188635.db2.gz FHMYUVKEEHRQBQ-UHFFFAOYSA-N 0 3 426.539 -0.153 20 0 IBADHN COCCN(C)CCNC(=O)c1cccc(S(=O)(=O)N2CCN(C(C)=O)CC2)c1 ZINC000588934805 1072188671 /nfs/dbraw/zinc/18/86/71/1072188671.db2.gz MHTNQZLQGZMLDB-UHFFFAOYSA-N 0 3 426.539 -0.153 20 0 IBADHN COCCN(C)CCNC(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC000588971709 1072188517 /nfs/dbraw/zinc/18/85/17/1072188517.db2.gz RURCIZWAIQQTRC-UHFFFAOYSA-N 0 3 428.559 -0.589 20 0 IBADHN CC(C)N1CCN([C@@H]2CCN(C(=O)C(=O)N[C@H]3C[C@@H](C)N(c4cnn(C)c4)C3=O)C2)CC1 ZINC000589035396 1071306050 /nfs/dbraw/zinc/30/60/50/1071306050.db2.gz ZEZVHKPNXUMLSA-LMMKCTJWSA-N 0 3 445.568 -0.343 20 0 IBADHN CC(C)N1CCN([C@@H]2CCN(C(=O)C(=O)N[C@H]3C[C@H](C)N(c4cnn(C)c4)C3=O)C2)CC1 ZINC000589035400 1072189239 /nfs/dbraw/zinc/18/92/39/1072189239.db2.gz ZEZVHKPNXUMLSA-SCTDSRPQSA-N 0 3 445.568 -0.343 20 0 IBADHN CC(C)N1CCN([C@@H]2CCN(C(=O)C(=O)N[C@@H]3C[C@H](C)N(c4cnn(C)c4)C3=O)C2)CC1 ZINC000589035404 1071306241 /nfs/dbraw/zinc/30/62/41/1071306241.db2.gz ZEZVHKPNXUMLSA-YQVWRLOYSA-N 0 3 445.568 -0.343 20 0 IBADHN CC(C)N1CCN([C@@H]2CCN(C(=O)C(=O)N[C@@H]3C[C@@H](C)N(c4cnn(C)c4)C3=O)C2)CC1 ZINC000589035407 1071306157 /nfs/dbraw/zinc/30/61/57/1071306157.db2.gz ZEZVHKPNXUMLSA-ZHALLVOQSA-N 0 3 445.568 -0.343 20 0 IBADHN CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC000589063893 1072190599 /nfs/dbraw/zinc/19/05/99/1072190599.db2.gz YDFUEEWUXHWCET-IFNOTVLESA-N 0 3 426.583 -0.053 20 0 IBADHN CC[S@](=O)[C@@H]1CCC[C@@H](NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC000589063895 1072190576 /nfs/dbraw/zinc/19/05/76/1072190576.db2.gz YDFUEEWUXHWCET-IMMRLREISA-N 0 3 426.583 -0.053 20 0 IBADHN CC[S@](=O)[C@@H]1CCC[C@@H](NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC000589063897 1072190426 /nfs/dbraw/zinc/19/04/26/1072190426.db2.gz YDFUEEWUXHWCET-LDGRLFAVSA-N 0 3 426.583 -0.053 20 0 IBADHN CC[S@](=O)[C@@H]1CCC[C@H](NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC000589063899 1072190408 /nfs/dbraw/zinc/19/04/08/1072190408.db2.gz YDFUEEWUXHWCET-VXOKPVROSA-N 0 3 426.583 -0.053 20 0 IBADHN O=C(Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)C(=O)N1CC[C@H](N2CCCC2)C1 ZINC000589238776 1072194850 /nfs/dbraw/zinc/19/48/50/1072194850.db2.gz FEKWEHIOJLWGCW-INIZCTEOSA-N 0 3 449.533 -0.558 20 0 IBADHN O=C(Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)C(=O)N1CC[C@@H](N2CCCC2)C1 ZINC000589238779 1072194833 /nfs/dbraw/zinc/19/48/33/1072194833.db2.gz FEKWEHIOJLWGCW-MRXNPFEDSA-N 0 3 449.533 -0.558 20 0 IBADHN CN(C)S(=O)(=O)c1cccc(S(=O)(=O)NCCCN2CCC[C@H](C(N)=O)C2)c1 ZINC000590300499 1072210296 /nfs/dbraw/zinc/21/02/96/1072210296.db2.gz DYFCYGNKEIFRBY-AWEZNQCLSA-N 0 3 432.568 -0.197 20 0 IBADHN CN(C)S(=O)(=O)c1cccc(S(=O)(=O)NCCCN2CCC[C@@H](C(N)=O)C2)c1 ZINC000590300500 1071342338 /nfs/dbraw/zinc/34/23/38/1071342338.db2.gz DYFCYGNKEIFRBY-CQSZACIVSA-N 0 3 432.568 -0.197 20 0 IBADHN CN(C)S(=O)(=O)c1ccc(S(=O)(=O)NCCCN2CCC[C@H](C(N)=O)C2)cc1 ZINC000590301073 1071342239 /nfs/dbraw/zinc/34/22/39/1071342239.db2.gz YCIRHQCRCOCHRY-AWEZNQCLSA-N 0 3 432.568 -0.197 20 0 IBADHN CN(C)S(=O)(=O)c1ccc(S(=O)(=O)NCCCN2CCC[C@@H](C(N)=O)C2)cc1 ZINC000590301074 1071342137 /nfs/dbraw/zinc/34/21/37/1071342137.db2.gz YCIRHQCRCOCHRY-CQSZACIVSA-N 0 3 432.568 -0.197 20 0 IBADHN NC(=O)[C@H]1CCCN(CCCNS(=O)(=O)c2cccc(S(=O)(=O)NC3CC3)c2)C1 ZINC000590301083 1071342402 /nfs/dbraw/zinc/34/24/02/1071342402.db2.gz YTWQILIJZSXVSN-AWEZNQCLSA-N 0 3 444.579 -0.007 20 0 IBADHN NC(=O)[C@@H]1CCCN(CCCNS(=O)(=O)c2cccc(S(=O)(=O)NC3CC3)c2)C1 ZINC000590301084 1071342185 /nfs/dbraw/zinc/34/21/85/1071342185.db2.gz YTWQILIJZSXVSN-CQSZACIVSA-N 0 3 444.579 -0.007 20 0 IBADHN CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)N2CC(CN3CCN(C)CC3)C2)cc1 ZINC000590564075 1072216242 /nfs/dbraw/zinc/21/62/42/1072216242.db2.gz YLNYHMPDAYIKOJ-UHFFFAOYSA-N 0 3 438.550 -0.153 20 0 IBADHN O=C(CN1CCCC1)N1CCN(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)CC1 ZINC000590740329 1072218832 /nfs/dbraw/zinc/21/88/32/1072218832.db2.gz KFNSXVCWFOQNBM-UHFFFAOYSA-N 0 3 440.522 -0.319 20 0 IBADHN Cc1cc(NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)ccc1-n1cnnn1 ZINC000590879424 1072220514 /nfs/dbraw/zinc/22/05/14/1072220514.db2.gz QOJJIKVMLHEGMD-UHFFFAOYSA-N 0 3 426.481 -0.324 20 0 IBADHN CCN(CC)CC(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)CC1 ZINC000590914929 1072220485 /nfs/dbraw/zinc/22/04/85/1072220485.db2.gz RORIKMUABGDWIG-UHFFFAOYSA-N 0 3 442.538 -0.073 20 0 IBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)Nc2cccc(-n3cnnn3)c2C)CC1 ZINC000590991994 1072221989 /nfs/dbraw/zinc/22/19/89/1072221989.db2.gz GCZANPYIWOQYTO-UHFFFAOYSA-N 0 3 428.497 -0.078 20 0 IBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)Nc2ccc(-n3cnnn3)c(C)c2)CC1 ZINC000590992025 1072221945 /nfs/dbraw/zinc/22/19/45/1072221945.db2.gz ZVUHHUCBUHFLFI-UHFFFAOYSA-N 0 3 428.497 -0.078 20 0 IBADHN CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)NCCCCN2CCN(C)CC2)c1 ZINC000591024338 1072222895 /nfs/dbraw/zinc/22/28/95/1072222895.db2.gz JDMOVKGRBQBPBY-UHFFFAOYSA-N 0 3 440.570 -0.140 20 0 IBADHN CS(=O)(=O)c1ccc(-n2nnnc2CN2CCC(N3CCC[C@H]3C(N)=O)CC2)cc1 ZINC000591080276 1072222873 /nfs/dbraw/zinc/22/28/73/1072222873.db2.gz BBIAZIGLYKZRPU-KRWDZBQOSA-N 0 3 433.538 -0.020 20 0 IBADHN CS(=O)(=O)c1ccc(-n2nnnc2CN2CCC(N3CCC[C@@H]3C(N)=O)CC2)cc1 ZINC000591080277 1072222958 /nfs/dbraw/zinc/22/29/58/1072222958.db2.gz BBIAZIGLYKZRPU-QGZVFWFLSA-N 0 3 433.538 -0.020 20 0 IBADHN COc1ccc(S(=O)(=O)N(CCN(C)C)CCN(C)C)cc1[C@]1(C)NC(=O)NC1=O ZINC000591085737 1072223626 /nfs/dbraw/zinc/22/36/26/1072223626.db2.gz XBIGYTAJHQHFOS-IBGZPJMESA-N 0 3 441.554 -0.136 20 0 IBADHN COc1ccc(S(=O)(=O)N(CCN(C)C)CCN(C)C)cc1[C@@]1(C)NC(=O)NC1=O ZINC000591085738 1072223600 /nfs/dbraw/zinc/22/36/00/1072223600.db2.gz XBIGYTAJHQHFOS-LJQANCHMSA-N 0 3 441.554 -0.136 20 0 IBADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 ZINC000591286224 1072226348 /nfs/dbraw/zinc/22/63/48/1072226348.db2.gz XIQAGYGJZTXWNR-KRWDZBQOSA-N 0 3 438.550 -0.010 20 0 IBADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 ZINC000591286225 1072226877 /nfs/dbraw/zinc/22/68/77/1072226877.db2.gz XIQAGYGJZTXWNR-QGZVFWFLSA-N 0 3 438.550 -0.010 20 0 IBADHN CN(CCN1CCN(S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)CC1)Cc1ccccc1 ZINC000591393085 1072228736 /nfs/dbraw/zinc/22/87/36/1072228736.db2.gz DLGUSYYDVVNDSR-UHFFFAOYSA-N 0 3 435.550 -0.478 20 0 IBADHN CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)NCCCN2CCN(C)CC2)cc1 ZINC000591428332 1072228468 /nfs/dbraw/zinc/22/84/68/1072228468.db2.gz MWFZCXVGKPXVGY-UHFFFAOYSA-N 0 3 426.539 -0.105 20 0 IBADHN COCCN(CCN(C)C)C(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC000591561227 1072233132 /nfs/dbraw/zinc/23/31/32/1072233132.db2.gz CKDVQKHIGDSTQO-UHFFFAOYSA-N 0 3 442.586 -0.247 20 0 IBADHN CNC(=O)COc1ccc(NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)cc1 ZINC000591750083 1072237118 /nfs/dbraw/zinc/23/71/18/1072237118.db2.gz BTZLLMAUEGRVHY-UHFFFAOYSA-N 0 3 431.493 -0.484 20 0 IBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)Nc2ccc(OCC(=O)NC)cc2)CC1 ZINC000591750557 1072237000 /nfs/dbraw/zinc/23/70/00/1072237000.db2.gz MEZCLRRKCOKGCH-UHFFFAOYSA-N 0 3 433.509 -0.238 20 0 IBADHN CN(CCN1CCN(C(=O)C(=O)Nc2cnn(CC(N)=O)c2)CC1)Cc1ccccc1 ZINC000591760583 1072236411 /nfs/dbraw/zinc/23/64/11/1072236411.db2.gz XPZFJDGMACJZMV-UHFFFAOYSA-N 0 3 427.509 -0.417 20 0 IBADHN COCCN(CCN(C)C)C(=O)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1OC ZINC000591851924 1072240674 /nfs/dbraw/zinc/24/06/74/1072240674.db2.gz HNQUUMNQWXZOBU-UHFFFAOYSA-N 0 3 430.527 -0.079 20 0 IBADHN COCCN1CCC[C@H](NC(=O)CNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)C1 ZINC000592314697 1072245509 /nfs/dbraw/zinc/24/55/09/1072245509.db2.gz DDYLSDIMXCZIIL-INIZCTEOSA-N 0 3 426.539 -0.106 20 0 IBADHN COCCN1CCC[C@@H](NC(=O)CNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)C1 ZINC000592314699 1072245602 /nfs/dbraw/zinc/24/56/02/1072245602.db2.gz DDYLSDIMXCZIIL-MRXNPFEDSA-N 0 3 426.539 -0.106 20 0 IBADHN O=C(COCC(=O)N1CCN([C@H]2CCC[C@H]2O)CC1)N1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC000592410860 1072246238 /nfs/dbraw/zinc/24/62/38/1072246238.db2.gz MGZAVEJNBDZNOT-JVSBHGNQSA-N 0 3 438.569 -0.882 20 0 IBADHN O=C(COCC(=O)N1CCN([C@@H]2CCC[C@@H]2O)CC1)N1CCN([C@@H]2CCC[C@H]2O)CC1 ZINC000592410861 1072246272 /nfs/dbraw/zinc/24/62/72/1072246272.db2.gz MGZAVEJNBDZNOT-WTGUMLROSA-N 0 3 438.569 -0.882 20 0 IBADHN O=C(COCC(=O)N1CCN([C@H]2CCC[C@@H]2O)CC1)N1CCN([C@@H]2CCC[C@@H]2O)CC1 ZINC000592410862 1072246117 /nfs/dbraw/zinc/24/61/17/1072246117.db2.gz MGZAVEJNBDZNOT-YRPNKDGESA-N 0 3 438.569 -0.882 20 0 IBADHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)NCCC(=O)N1CCN(C(C)=O)CC1 ZINC000594347732 1072262444 /nfs/dbraw/zinc/26/24/44/1072262444.db2.gz XCCZAHDWGAKECI-UHFFFAOYSA-N 0 3 433.509 -0.108 20 0 IBADHN CCc1ccccc1NC(=O)CN1CCN(C(=O)CN2CCN3C(=O)[C@@H](N)C[C@@H]3C2)CC1 ZINC000594875049 1072265158 /nfs/dbraw/zinc/26/51/58/1072265158.db2.gz NVFSHTYFRWVQFH-MOPGFXCFSA-N 0 3 442.564 -0.425 20 0 IBADHN CCc1ccccc1NC(=O)CN1CCN(C(=O)CN2CCN3C(=O)[C@@H](N)C[C@H]3C2)CC1 ZINC000594875050 1072265217 /nfs/dbraw/zinc/26/52/17/1072265217.db2.gz NVFSHTYFRWVQFH-OALUTQOASA-N 0 3 442.564 -0.425 20 0 IBADHN CCc1ccccc1NC(=O)CN1CCN(C(=O)CN2CCN3C(=O)[C@H](N)C[C@H]3C2)CC1 ZINC000594875051 1072265285 /nfs/dbraw/zinc/26/52/85/1072265285.db2.gz NVFSHTYFRWVQFH-RBUKOAKNSA-N 0 3 442.564 -0.425 20 0 IBADHN CCc1ccccc1NC(=O)CN1CCN(C(=O)CN2CCN3C(=O)[C@H](N)C[C@@H]3C2)CC1 ZINC000594875052 1072265100 /nfs/dbraw/zinc/26/51/00/1072265100.db2.gz NVFSHTYFRWVQFH-RTBURBONSA-N 0 3 442.564 -0.425 20 0 IBADHN COc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN4C(=O)[C@H](N)C[C@@H]4C3)CC2)cc1 ZINC000594876421 1072265059 /nfs/dbraw/zinc/26/50/59/1072265059.db2.gz YONUZILKLMSIFX-CRAIPNDOSA-N 0 3 436.534 -0.134 20 0 IBADHN COc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN4C(=O)[C@H](N)C[C@H]4C3)CC2)cc1 ZINC000594876422 1072265254 /nfs/dbraw/zinc/26/52/54/1072265254.db2.gz YONUZILKLMSIFX-MAUKXSAKSA-N 0 3 436.534 -0.134 20 0 IBADHN COc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN4C(=O)[C@@H](N)C[C@@H]4C3)CC2)cc1 ZINC000594876423 1072264999 /nfs/dbraw/zinc/26/49/99/1072264999.db2.gz YONUZILKLMSIFX-QAPCUYQASA-N 0 3 436.534 -0.134 20 0 IBADHN COc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN4C(=O)[C@@H](N)C[C@H]4C3)CC2)cc1 ZINC000594876424 1072265299 /nfs/dbraw/zinc/26/52/99/1072265299.db2.gz YONUZILKLMSIFX-YJBOKZPZSA-N 0 3 436.534 -0.134 20 0 IBADHN C[C@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)N1CCN2C(=O)[C@@H](N)C[C@@H]2C1 ZINC000594877002 1072265046 /nfs/dbraw/zinc/26/50/46/1072265046.db2.gz COOASOQKXAJPCJ-GUTXKFCHSA-N 0 3 438.506 -0.715 20 0 IBADHN C[C@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)N1CCN2C(=O)[C@H](N)C[C@@H]2C1 ZINC000594877003 1072265182 /nfs/dbraw/zinc/26/51/82/1072265182.db2.gz COOASOQKXAJPCJ-GZBFAFLISA-N 0 3 438.506 -0.715 20 0 IBADHN C[C@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)N1CCN2C(=O)[C@H](N)C[C@H]2C1 ZINC000594877004 1072265012 /nfs/dbraw/zinc/26/50/12/1072265012.db2.gz COOASOQKXAJPCJ-KCQAQPDRSA-N 0 3 438.506 -0.715 20 0 IBADHN C[C@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)N1CCN2C(=O)[C@@H](N)C[C@H]2C1 ZINC000594877005 1072265910 /nfs/dbraw/zinc/26/59/10/1072265910.db2.gz COOASOQKXAJPCJ-YDHLFZDLSA-N 0 3 438.506 -0.715 20 0 IBADHN COc1cc(N2C[C@H](C(=O)N3CCN4C(=O)[C@H](N)C[C@@H]4C3)CC2=O)cc(OC)c1OC ZINC000594877143 1072265136 /nfs/dbraw/zinc/26/51/36/1072265136.db2.gz ULTCDRCWRDUQSC-BPLDGKMQSA-N 0 3 432.477 -0.164 20 0 IBADHN COc1cc(N2C[C@H](C(=O)N3CCN4C(=O)[C@@H](N)C[C@H]4C3)CC2=O)cc(OC)c1OC ZINC000594877144 1072265270 /nfs/dbraw/zinc/26/52/70/1072265270.db2.gz ULTCDRCWRDUQSC-SNPRPXQTSA-N 0 3 432.477 -0.164 20 0 IBADHN COc1cc(N2C[C@H](C(=O)N3CCN4C(=O)[C@H](N)C[C@H]4C3)CC2=O)cc(OC)c1OC ZINC000594877146 1072265079 /nfs/dbraw/zinc/26/50/79/1072265079.db2.gz ULTCDRCWRDUQSC-VHDGCEQUSA-N 0 3 432.477 -0.164 20 0 IBADHN COc1cc(N2C[C@H](C(=O)N3CCN4C(=O)[C@@H](N)C[C@@H]4C3)CC2=O)cc(OC)c1OC ZINC000594877147 1072265118 /nfs/dbraw/zinc/26/51/18/1072265118.db2.gz ULTCDRCWRDUQSC-YUELXQCFSA-N 0 3 432.477 -0.164 20 0 IBADHN CCn1c2ccc(NC(=O)CCC(=O)N3CCN4C(=O)[C@@H](N)C[C@H]4C3)nc2n(CC)c1=O ZINC000594880130 1072265889 /nfs/dbraw/zinc/26/58/89/1072265889.db2.gz SXPGOTXGFCYGFI-KBPBESRZSA-N 0 3 443.508 -0.273 20 0 IBADHN CCn1c2ccc(NC(=O)CCC(=O)N3CCN4C(=O)[C@@H](N)C[C@@H]4C3)nc2n(CC)c1=O ZINC000594880142 1073352165 /nfs/dbraw/zinc/35/21/65/1073352165.db2.gz SXPGOTXGFCYGFI-KGLIPLIRSA-N 0 3 443.508 -0.273 20 0 IBADHN CCn1c2ccc(NC(=O)CCC(=O)N3CCN4C(=O)[C@H](N)C[C@H]4C3)nc2n(CC)c1=O ZINC000594880144 1072265697 /nfs/dbraw/zinc/26/56/97/1072265697.db2.gz SXPGOTXGFCYGFI-UONOGXRCSA-N 0 3 443.508 -0.273 20 0 IBADHN CCn1c2ccc(NC(=O)CCC(=O)N3CCN4C(=O)[C@H](N)C[C@@H]4C3)nc2n(CC)c1=O ZINC000594880145 1073351948 /nfs/dbraw/zinc/35/19/48/1073351948.db2.gz SXPGOTXGFCYGFI-ZIAGYGMSSA-N 0 3 443.508 -0.273 20 0 IBADHN O=C(Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000595111727 1072267478 /nfs/dbraw/zinc/26/74/78/1072267478.db2.gz CGVBLOSCPGDBOM-INIZCTEOSA-N 0 3 449.533 -0.654 20 0 IBADHN O=C(Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000595111728 1071423223 /nfs/dbraw/zinc/42/32/23/1071423223.db2.gz CGVBLOSCPGDBOM-MRXNPFEDSA-N 0 3 449.533 -0.654 20 0 IBADHN CN(C)C(=O)CN1CCN(C(=O)CN2CCN(CCN(C)Cc3ccccc3)CC2)CC1 ZINC000595571960 1072269631 /nfs/dbraw/zinc/26/96/31/1072269631.db2.gz XEDKGOKZZJGQON-UHFFFAOYSA-N 0 3 444.624 -0.032 20 0 IBADHN CN(C)CCn1c2cc(NC(=O)C(=O)NCC(C)(C)NS(C)(=O)=O)ccc2oc1=O ZINC000598358657 1072289233 /nfs/dbraw/zinc/28/92/33/1072289233.db2.gz IFSDJMQZCFTFJV-UHFFFAOYSA-N 0 3 441.510 -0.461 20 0 IBADHN CCN(CC)CC(=O)N1CCN(C(=O)c2ccc3c(c2)S(=O)(=O)N=C2NC=NN23)CC1 ZINC000598919023 1072291926 /nfs/dbraw/zinc/29/19/26/1072291926.db2.gz VWPUMLVWBZLYCP-UHFFFAOYSA-N 0 3 447.521 -0.276 20 0 IBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)CCN1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000600082224 1073365371 /nfs/dbraw/zinc/36/53/71/1073365371.db2.gz MPPIFCONUYHVMH-MOPGFXCFSA-N 0 3 437.585 -0.241 20 0 IBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)CCN1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000600082225 1073365166 /nfs/dbraw/zinc/36/51/66/1073365166.db2.gz MPPIFCONUYHVMH-OALUTQOASA-N 0 3 437.585 -0.241 20 0 IBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)CCN1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000600082226 1073365341 /nfs/dbraw/zinc/36/53/41/1073365341.db2.gz MPPIFCONUYHVMH-RBUKOAKNSA-N 0 3 437.585 -0.241 20 0 IBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)CCN1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000600082227 1073365051 /nfs/dbraw/zinc/36/50/51/1073365051.db2.gz MPPIFCONUYHVMH-RTBURBONSA-N 0 3 437.585 -0.241 20 0 IBADHN NC(=O)[C@H]1CCCN1C1CCN(C(=O)CCN2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 ZINC000600088961 1073365834 /nfs/dbraw/zinc/36/58/34/1073365834.db2.gz QLBACQWOMQUEDZ-MOPGFXCFSA-N 0 3 435.569 -0.360 20 0 IBADHN NC(=O)[C@@H]1CCCN1C1CCN(C(=O)CCN2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 ZINC000600088963 1073365630 /nfs/dbraw/zinc/36/56/30/1073365630.db2.gz QLBACQWOMQUEDZ-OALUTQOASA-N 0 3 435.569 -0.360 20 0 IBADHN NC(=O)[C@@H]1CCCN1C1CCN(C(=O)CCN2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 ZINC000600088965 1073366136 /nfs/dbraw/zinc/36/61/36/1073366136.db2.gz QLBACQWOMQUEDZ-RBUKOAKNSA-N 0 3 435.569 -0.360 20 0 IBADHN NC(=O)[C@H]1CCCN1C1CCN(C(=O)CCN2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 ZINC000600088967 1073366059 /nfs/dbraw/zinc/36/60/59/1073366059.db2.gz QLBACQWOMQUEDZ-RTBURBONSA-N 0 3 435.569 -0.360 20 0 IBADHN Cn1cc(S(=O)(=O)NCC(=O)NCc2ccc(C(=O)NCCN3CCCC3)cc2)cn1 ZINC000600312603 1073375659 /nfs/dbraw/zinc/37/56/59/1073375659.db2.gz KZTCCJGSULBJAH-UHFFFAOYSA-N 0 3 448.549 -0.160 20 0 IBADHN CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N(C)CCCN2CCN(C)CC2)c1 ZINC000600320769 1073376609 /nfs/dbraw/zinc/37/66/09/1073376609.db2.gz BYNKJIRHKNSLDU-UHFFFAOYSA-N 0 3 441.598 -0.025 20 0 IBADHN Cc1c(C(=O)NCC(=O)NCCN2CCOCC2)nnn1-c1cccc2c1CCN(C)C2 ZINC000600489040 1073387822 /nfs/dbraw/zinc/38/78/22/1073387822.db2.gz KJIHFPZSGVVHHD-UHFFFAOYSA-N 0 3 441.536 -0.258 20 0 IBADHN CN1CCCC[C@@H]1C(=O)NCCS(=O)(=O)N1CCN(C(=O)[C@@H]2CCCCN2C)CC1 ZINC000600963210 1072549306 /nfs/dbraw/zinc/54/93/06/1072549306.db2.gz SQGGCKCGCSIRKY-MSOLQXFVSA-N 0 3 443.614 -0.455 20 0 IBADHN CN1CCCC[C@@H]1C(=O)NCCS(=O)(=O)N1CCN(C(=O)[C@H]2CCCCN2C)CC1 ZINC000600963211 1071132299 /nfs/dbraw/zinc/13/22/99/1071132299.db2.gz SQGGCKCGCSIRKY-QZTJIDSGSA-N 0 3 443.614 -0.455 20 0 IBADHN CN1CCCC[C@H]1C(=O)NCCS(=O)(=O)N1CCN(C(=O)[C@@H]2CCCCN2C)CC1 ZINC000600963212 1072549130 /nfs/dbraw/zinc/54/91/30/1072549130.db2.gz SQGGCKCGCSIRKY-ROUUACIJSA-N 0 3 443.614 -0.455 20 0 IBADHN CN1CCCC[C@@H]1C(=O)N1CCN(S(=O)(=O)CCNC(=O)[C@@H]2CCCCN2C)CC1 ZINC000600963213 1072549193 /nfs/dbraw/zinc/54/91/93/1072549193.db2.gz SQGGCKCGCSIRKY-ZWKOTPCHSA-N 0 3 443.614 -0.455 20 0 IBADHN CCN1CCN(C(=O)c2ccc(NC(=O)C(=O)NC[C@H]3CN(C)CCN3C)cc2)CC1 ZINC000601407002 1072275612 /nfs/dbraw/zinc/27/56/12/1072275612.db2.gz LHTNSOWOCPDDBK-IBGZPJMESA-N 0 3 430.553 -0.235 20 0 IBADHN CCN1CCN(C(=O)c2ccc(NC(=O)C(=O)NC[C@@H]3CN(C)CCN3C)cc2)CC1 ZINC000601407003 1072275442 /nfs/dbraw/zinc/27/54/42/1072275442.db2.gz LHTNSOWOCPDDBK-LJQANCHMSA-N 0 3 430.553 -0.235 20 0 IBADHN C[C@@H](CNC(=O)C(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)nc1)N1CCCC1 ZINC000601916280 1072281552 /nfs/dbraw/zinc/28/15/52/1072281552.db2.gz UKMAMOBBRWIDFX-HNNXBMFYSA-N 0 3 438.554 -0.298 20 0 IBADHN C[C@H](CNC(=O)C(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)nc1)N1CCCC1 ZINC000601916281 1072281606 /nfs/dbraw/zinc/28/16/06/1072281606.db2.gz UKMAMOBBRWIDFX-OAHLLOKOSA-N 0 3 438.554 -0.298 20 0 IBADHN CCN1CCN([C@@H](C)CNC(=O)C(=O)Nc2ccc(C(=O)NCC(=O)OC)cc2)CC1 ZINC000603715074 1072301317 /nfs/dbraw/zinc/30/13/17/1072301317.db2.gz MULOSJYDFFBGAU-HNNXBMFYSA-N 0 3 433.509 -0.330 20 0 IBADHN CCN1CCN([C@H](C)CNC(=O)C(=O)Nc2ccc(C(=O)NCC(=O)OC)cc2)CC1 ZINC000603715075 1072301066 /nfs/dbraw/zinc/30/10/66/1072301066.db2.gz MULOSJYDFFBGAU-OAHLLOKOSA-N 0 3 433.509 -0.330 20 0 IBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1CCN(c2ncccc2C(N)=O)CC1 ZINC000604187615 1072312938 /nfs/dbraw/zinc/31/29/38/1072312938.db2.gz ABCAYRFVCWHCNR-KRWDZBQOSA-N 0 3 431.541 -0.045 20 0 IBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N1CCN(c2ncccc2C(N)=O)CC1 ZINC000604187616 1072312789 /nfs/dbraw/zinc/31/27/89/1072312789.db2.gz ABCAYRFVCWHCNR-QGZVFWFLSA-N 0 3 431.541 -0.045 20 0 IBADHN O=C(CCN1CCN(C(=O)[C@@H]2CCCO2)CC1)N[C@H]1CCN(CCN2CCOCC2)C1 ZINC000604371114 1072317204 /nfs/dbraw/zinc/31/72/04/1072317204.db2.gz CQPKXDQMZZDICG-PMACEKPBSA-N 0 3 437.585 -0.778 20 0 IBADHN O=C(CCN1CCN(C(=O)[C@@H]2CCCO2)CC1)N[C@@H]1CCN(CCN2CCOCC2)C1 ZINC000604371131 1072317585 /nfs/dbraw/zinc/31/75/85/1072317585.db2.gz CQPKXDQMZZDICG-UXHICEINSA-N 0 3 437.585 -0.778 20 0 IBADHN O=C(CCN1CCN(C(=O)[C@H]2CCCO2)CC1)N[C@H]1CCN(CCN2CCOCC2)C1 ZINC000604371135 1072317303 /nfs/dbraw/zinc/31/73/03/1072317303.db2.gz CQPKXDQMZZDICG-VQTJNVASSA-N 0 3 437.585 -0.778 20 0 IBADHN O=C(CCN1CCN(C(=O)[C@H]2CCCO2)CC1)N[C@@H]1CCN(CCN2CCOCC2)C1 ZINC000604371138 1072317547 /nfs/dbraw/zinc/31/75/47/1072317547.db2.gz CQPKXDQMZZDICG-WOJBJXKFSA-N 0 3 437.585 -0.778 20 0 IBADHN O=C(NCCCN1CCN(c2ncccn2)CC1)N[C@H]1CCN(CCN2CCOCC2)C1 ZINC000604637002 1072323800 /nfs/dbraw/zinc/32/38/00/1072323800.db2.gz LYDLGZHAUYZSNB-FQEVSTJZSA-N 0 3 446.600 -0.306 20 0 IBADHN O=C(NCCCN1CCN(c2ncccn2)CC1)N[C@@H]1CCN(CCN2CCOCC2)C1 ZINC000604637003 1072323834 /nfs/dbraw/zinc/32/38/34/1072323834.db2.gz LYDLGZHAUYZSNB-HXUWFJFHSA-N 0 3 446.600 -0.306 20 0 IBADHN O=C(NC[C@]1(N2CCOCC2)CCSC1)N[C@H]1CCN(CCN2CCOCC2)C1 ZINC000604643953 1072326819 /nfs/dbraw/zinc/32/68/19/1072326819.db2.gz KTEZVCKZFQDISX-AZUAARDMSA-N 0 3 427.615 -0.100 20 0 IBADHN O=C(NC[C@@]1(N2CCOCC2)CCSC1)N[C@H]1CCN(CCN2CCOCC2)C1 ZINC000604643954 1072326707 /nfs/dbraw/zinc/32/67/07/1072326707.db2.gz KTEZVCKZFQDISX-ICSRJNTNSA-N 0 3 427.615 -0.100 20 0 IBADHN O=C(NC[C@@]1(N2CCOCC2)CCSC1)N[C@@H]1CCN(CCN2CCOCC2)C1 ZINC000604643955 1072326597 /nfs/dbraw/zinc/32/65/97/1072326597.db2.gz KTEZVCKZFQDISX-QUCCMNQESA-N 0 3 427.615 -0.100 20 0 IBADHN O=C(NC[C@]1(N2CCOCC2)CCSC1)N[C@@H]1CCN(CCN2CCOCC2)C1 ZINC000604643956 1072327064 /nfs/dbraw/zinc/32/70/64/1072327064.db2.gz KTEZVCKZFQDISX-UYAOXDASSA-N 0 3 427.615 -0.100 20 0 IBADHN NS(=O)(=O)c1ccc(F)c(CNC(=O)N2CCN(C(=O)CN3CCCC3)CC2)c1 ZINC000604658285 1072324319 /nfs/dbraw/zinc/32/43/19/1072324319.db2.gz VRIVPVJWIGHHNB-UHFFFAOYSA-N 0 3 427.502 -0.077 20 0 IBADHN CN1CCN(C(=O)C2CCN(C(=O)N[C@H]3CCN(CCN4CCOCC4)C3)CC2)CC1 ZINC000604668020 1072324967 /nfs/dbraw/zinc/32/49/67/1072324967.db2.gz PWECVJXERHSRJY-FQEVSTJZSA-N 0 3 436.601 -0.412 20 0 IBADHN CN1CCN(C(=O)C2CCN(C(=O)N[C@@H]3CCN(CCN4CCOCC4)C3)CC2)CC1 ZINC000604668021 1072325356 /nfs/dbraw/zinc/32/53/56/1072325356.db2.gz PWECVJXERHSRJY-HXUWFJFHSA-N 0 3 436.601 -0.412 20 0 IBADHN CCN(CC)C(=O)CN1CCCN(C(=O)N[C@H]2CCN(CCN3CCOCC3)C2)CC1 ZINC000604668360 1072324915 /nfs/dbraw/zinc/32/49/15/1072324915.db2.gz ZDMDCMDJGNCLLK-FQEVSTJZSA-N 0 3 438.617 -0.021 20 0 IBADHN CCN(CC)C(=O)CN1CCCN(C(=O)N[C@@H]2CCN(CCN3CCOCC3)C2)CC1 ZINC000604668361 1072325304 /nfs/dbraw/zinc/32/53/04/1072325304.db2.gz ZDMDCMDJGNCLLK-HXUWFJFHSA-N 0 3 438.617 -0.021 20 0 IBADHN CN(C)C[C@H]1CN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)CCO1 ZINC000604889130 1073660877 /nfs/dbraw/zinc/66/08/77/1073660877.db2.gz HNQRPFJZENSXNH-HNNXBMFYSA-N 0 3 433.552 -0.341 20 0 IBADHN CN(C)C[C@@H]1CN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)CCO1 ZINC000604889132 1073661706 /nfs/dbraw/zinc/66/17/06/1073661706.db2.gz HNQRPFJZENSXNH-OAHLLOKOSA-N 0 3 433.552 -0.341 20 0 IBADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)N3CC[C@@H](NS(C)(=O)=O)C3)cc2)CC1 ZINC000604927418 1072330903 /nfs/dbraw/zinc/33/09/03/1072330903.db2.gz QGGGRYVOSSWHST-GOSISDBHSA-N 0 3 437.566 -0.087 20 0 IBADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)N3CC[C@H](NS(C)(=O)=O)C3)cc2)CC1 ZINC000604927419 1072330935 /nfs/dbraw/zinc/33/09/35/1072330935.db2.gz QGGGRYVOSSWHST-SFHVURJKSA-N 0 3 437.566 -0.087 20 0 IBADHN CN(C)CCn1c2cc(NC(=O)C(=O)N3CC[C@@H](NS(C)(=O)=O)C3)ccc2oc1=O ZINC000604927536 1072331094 /nfs/dbraw/zinc/33/10/94/1072331094.db2.gz XVENTKGCSYAYDF-CYBMUJFWSA-N 0 3 439.494 -0.755 20 0 IBADHN CN(C)CCn1c2cc(NC(=O)C(=O)N3CC[C@H](NS(C)(=O)=O)C3)ccc2oc1=O ZINC000604927537 1072330999 /nfs/dbraw/zinc/33/09/99/1072330999.db2.gz XVENTKGCSYAYDF-ZDUSSCGKSA-N 0 3 439.494 -0.755 20 0 IBADHN CCOc1ccc(NC(=O)C(=O)NCCN(C)C)cc1S(=O)(=O)N1CCOCC1 ZINC000605239419 1072336134 /nfs/dbraw/zinc/33/61/34/1072336134.db2.gz WLDJYIWZMCCOFI-UHFFFAOYSA-N 0 3 428.511 -0.278 20 0 IBADHN COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1NC(=O)C(=O)NCCN(C)C ZINC000605239448 1072336028 /nfs/dbraw/zinc/33/60/28/1072336028.db2.gz FATPGIQROSCVQW-UHFFFAOYSA-N 0 3 427.527 -0.752 20 0 IBADHN CN(C)CCNC(=O)C(=O)Nc1ccc(CC(=O)N2CCN(c3ncccn3)CC2)cc1 ZINC000605239499 1072336000 /nfs/dbraw/zinc/33/60/00/1072336000.db2.gz PLQASPATKHLMST-UHFFFAOYSA-N 0 3 439.520 -0.016 20 0 IBADHN CCN1CCC[C@H]1CNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000605239937 1072335449 /nfs/dbraw/zinc/33/54/49/1072335449.db2.gz HJPOXLXZOWANGL-HNNXBMFYSA-N 0 3 437.522 -0.654 20 0 IBADHN CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000605239938 1072336059 /nfs/dbraw/zinc/33/60/59/1072336059.db2.gz HJPOXLXZOWANGL-OAHLLOKOSA-N 0 3 437.522 -0.654 20 0 IBADHN CCN1CCC[C@H]1CNC(=O)C(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)nc1 ZINC000605239951 1072335908 /nfs/dbraw/zinc/33/59/08/1072335908.db2.gz JHCFFSZWSODZOM-INIZCTEOSA-N 0 3 438.554 -0.298 20 0 IBADHN CCN1CCC[C@@H]1CNC(=O)C(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)nc1 ZINC000605239952 1072335955 /nfs/dbraw/zinc/33/59/55/1072335955.db2.gz JHCFFSZWSODZOM-MRXNPFEDSA-N 0 3 438.554 -0.298 20 0 IBADHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)NCCN1CCN(S(C)(=O)=O)CC1 ZINC000605243112 1072335877 /nfs/dbraw/zinc/33/58/77/1072335877.db2.gz YZODNHTXRQSTMA-UHFFFAOYSA-N 0 3 441.554 -0.611 20 0 IBADHN COc1ccc(NC(=O)C(=O)NCCN(C)C2CC2)cc1S(=O)(=O)N1CCOCC1 ZINC000605243492 1072338081 /nfs/dbraw/zinc/33/80/81/1072338081.db2.gz ORBGXAJDOIKDOK-UHFFFAOYSA-N 0 3 440.522 -0.135 20 0 IBADHN COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C(=O)NCCN(C)C1CC1 ZINC000605243708 1072338006 /nfs/dbraw/zinc/33/80/06/1072338006.db2.gz XKKUHRJBNVWCPQ-UHFFFAOYSA-N 0 3 440.522 -0.135 20 0 IBADHN CN(CCNC(=O)C(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)C1CC1 ZINC000605243737 1072338040 /nfs/dbraw/zinc/33/80/40/1072338040.db2.gz BOAFWILUSQNCAM-UHFFFAOYSA-N 0 3 428.486 -0.005 20 0 IBADHN CCN(C)CCNC(=O)C(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 ZINC000605243752 1070800722 /nfs/dbraw/zinc/80/07/22/1070800722.db2.gz GTDUBOYUCQNAFU-UHFFFAOYSA-N 0 3 428.511 -0.278 20 0 IBADHN CCN(C)CCNC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1OC ZINC000605243825 1072337867 /nfs/dbraw/zinc/33/78/67/1072337867.db2.gz YAZYDDLKVVKURX-UHFFFAOYSA-N 0 3 428.511 -0.278 20 0 IBADHN CCN(C)CCNC(=O)C(=O)Nc1cc(S(=O)(=O)N2CCN(C)CC2)ccc1OC ZINC000605243935 1072337806 /nfs/dbraw/zinc/33/78/06/1072337806.db2.gz ZVSBDGVNAYEFLY-UHFFFAOYSA-N 0 3 441.554 -0.362 20 0 IBADHN CC(=O)NC[C@H]1CN(C(=O)C(=O)Nc2ccc3oc(=O)n(CCN(C)C)c3c2)CCO1 ZINC000605252146 1072339198 /nfs/dbraw/zinc/33/91/98/1072339198.db2.gz RDXXOMNUAMVPQZ-HNNXBMFYSA-N 0 3 433.465 -0.542 20 0 IBADHN CC(=O)NC[C@@H]1CN(C(=O)C(=O)Nc2ccc3oc(=O)n(CCN(C)C)c3c2)CCO1 ZINC000605252147 1072339103 /nfs/dbraw/zinc/33/91/03/1072339103.db2.gz RDXXOMNUAMVPQZ-OAHLLOKOSA-N 0 3 433.465 -0.542 20 0 IBADHN COCCN1CCC(NC(=O)NC2CCN(S(=O)(=O)N3CCOCC3)CC2)CC1 ZINC000605350589 1072346603 /nfs/dbraw/zinc/34/66/03/1072346603.db2.gz WWTXPBLOERSSLM-UHFFFAOYSA-N 0 3 433.575 -0.562 20 0 IBADHN COCCN1CCC[C@H]1CNC(=O)NC1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000605352061 1072346710 /nfs/dbraw/zinc/34/67/10/1072346710.db2.gz RTFKGWLGIOWWRZ-KRWDZBQOSA-N 0 3 433.575 -0.562 20 0 IBADHN COCCN1CCC[C@@H]1CNC(=O)NC1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000605352062 1070807394 /nfs/dbraw/zinc/80/73/94/1070807394.db2.gz RTFKGWLGIOWWRZ-QGZVFWFLSA-N 0 3 433.575 -0.562 20 0 IBADHN CCN1CCN(c2ccc(C(=O)N3CCN(C(=O)C(=O)N4CCOCC4)CC3)cc2)CC1 ZINC000605399468 1072347535 /nfs/dbraw/zinc/34/75/35/1072347535.db2.gz XQSNYISYYHIOSB-UHFFFAOYSA-N 0 3 443.548 -0.028 20 0 IBADHN CCN1CCN(CCCNC(=O)[C@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)CC1 ZINC000605402659 1072347573 /nfs/dbraw/zinc/34/75/73/1072347573.db2.gz GKHDTQIRWGMJMA-INIZCTEOSA-N 0 3 437.566 -0.169 20 0 IBADHN CCN1CCN(CCCNC(=O)[C@@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)CC1 ZINC000605402667 1072348176 /nfs/dbraw/zinc/34/81/76/1072348176.db2.gz GKHDTQIRWGMJMA-MRXNPFEDSA-N 0 3 437.566 -0.169 20 0 IBADHN NS(=O)(=O)c1ccc2c(c1)oc(=O)n2CC(=O)N1CCN(CC2CCOCC2)CC1 ZINC000605562619 1072354361 /nfs/dbraw/zinc/35/43/61/1072354361.db2.gz CSAUFUVBKIHLFI-UHFFFAOYSA-N 0 3 438.506 -0.187 20 0 IBADHN COCCN1CC[C@H](NC(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)C1 ZINC000605852287 1072355969 /nfs/dbraw/zinc/35/59/69/1072355969.db2.gz AOFPGRMUCCFEOQ-KRWDZBQOSA-N 0 3 440.570 -0.447 20 0 IBADHN COCCN1CC[C@@H](NC(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)C1 ZINC000605852288 1072356059 /nfs/dbraw/zinc/35/60/59/1072356059.db2.gz AOFPGRMUCCFEOQ-QGZVFWFLSA-N 0 3 440.570 -0.447 20 0 IBADHN O=C(CN1CCCC1)N1CCN(C(=O)NCCN2CCN(C(=O)C3CCC3)CC2)CC1 ZINC000605875743 1071428548 /nfs/dbraw/zinc/42/85/48/1071428548.db2.gz BPPUTPZVWXOPLV-UHFFFAOYSA-N 0 3 434.585 -0.120 20 0 IBADHN CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)NC[C@@H]2CCCN2CCOC)c1 ZINC000605878343 1072356245 /nfs/dbraw/zinc/35/62/45/1072356245.db2.gz JVVCLFCLQZUEBD-HNNXBMFYSA-N 0 3 427.527 -0.057 20 0 IBADHN CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)NC[C@H]2CCCN2CCOC)c1 ZINC000605878372 1072356200 /nfs/dbraw/zinc/35/62/00/1072356200.db2.gz JVVCLFCLQZUEBD-OAHLLOKOSA-N 0 3 427.527 -0.057 20 0 IBADHN O=C(CN1CCN(C(=O)CN2CCN(CC3CCOCC3)CC2)CC1)N1CCOCC1 ZINC000605900622 1072356145 /nfs/dbraw/zinc/35/61/45/1072356145.db2.gz GVHDNTZUXCSFKB-UHFFFAOYSA-N 0 3 437.585 -0.966 20 0 IBADHN CCN(CC)CC(=O)N1CCN(C(=O)Nc2ccn(CC(=O)N3CCOCC3)n2)CC1 ZINC000605931920 1073335710 /nfs/dbraw/zinc/33/57/10/1073335710.db2.gz FWOCXGYKBMGRGF-UHFFFAOYSA-N 0 3 435.529 -0.240 20 0 IBADHN O=C(Cn1ccc(NC(=O)N2CCN(C(=O)CN3CCCC3)CC2)n1)N1CCOCC1 ZINC000605934466 1074355143 /nfs/dbraw/zinc/35/51/43/1074355143.db2.gz NCFRALFWZUDGFD-UHFFFAOYSA-N 0 3 433.513 -0.486 20 0 IBADHN CN1CCN(CCCCNC(=O)NCCC(=O)N2CCN(c3ncccn3)CC2)CC1 ZINC000605970317 1072357218 /nfs/dbraw/zinc/35/72/18/1072357218.db2.gz YJOADQDTULNOSC-UHFFFAOYSA-N 0 3 432.573 -0.158 20 0 IBADHN CCc1ccc(NC(=O)C(=O)NC[C@H](C)N2CCN(CC)CC2)cc1S(N)(=O)=O ZINC000606012021 1072358197 /nfs/dbraw/zinc/35/81/97/1072358197.db2.gz QYEFRXCXSLLVMV-AWEZNQCLSA-N 0 3 425.555 -0.023 20 0 IBADHN CCc1ccc(NC(=O)C(=O)NC[C@@H](C)N2CCN(CC)CC2)cc1S(N)(=O)=O ZINC000606012022 1072358178 /nfs/dbraw/zinc/35/81/78/1072358178.db2.gz QYEFRXCXSLLVMV-CQSZACIVSA-N 0 3 425.555 -0.023 20 0 IBADHN CCN1CCN([C@@H](C)CNC(=O)C(=O)Nc2ccc(CNS(C)(=O)=O)cc2)CC1 ZINC000606012305 1072358166 /nfs/dbraw/zinc/35/81/66/1072358166.db2.gz WBUDIKAEOCCUBN-HNNXBMFYSA-N 0 3 425.555 -0.184 20 0 IBADHN CCN1CCN([C@H](C)CNC(=O)C(=O)Nc2ccc(CNS(C)(=O)=O)cc2)CC1 ZINC000606012308 1072358185 /nfs/dbraw/zinc/35/81/85/1072358185.db2.gz WBUDIKAEOCCUBN-OAHLLOKOSA-N 0 3 425.555 -0.184 20 0 IBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)Nc1cc(F)cc(S(N)(=O)=O)c1 ZINC000606064459 1072361219 /nfs/dbraw/zinc/36/12/19/1072361219.db2.gz BIRKXLACRIIFBT-HNNXBMFYSA-N 0 3 443.501 -0.530 20 0 IBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)Nc1cc(F)cc(S(N)(=O)=O)c1 ZINC000606064460 1072360964 /nfs/dbraw/zinc/36/09/64/1072360964.db2.gz BIRKXLACRIIFBT-OAHLLOKOSA-N 0 3 443.501 -0.530 20 0 IBADHN Cc1ccc(NC(=O)C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)cc1S(N)(=O)=O ZINC000606066111 1072360999 /nfs/dbraw/zinc/36/09/99/1072360999.db2.gz ZFZQNHRGNKIZLO-HNNXBMFYSA-N 0 3 439.538 -0.360 20 0 IBADHN Cc1ccc(NC(=O)C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)cc1S(N)(=O)=O ZINC000606066112 1072361177 /nfs/dbraw/zinc/36/11/77/1072361177.db2.gz ZFZQNHRGNKIZLO-OAHLLOKOSA-N 0 3 439.538 -0.360 20 0 IBADHN NS(=O)(=O)c1cc(F)cc(NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)c1 ZINC000606070737 1072361626 /nfs/dbraw/zinc/36/16/26/1072361626.db2.gz GMKYISHXGHJOAT-UHFFFAOYSA-N 0 3 441.485 -0.822 20 0 IBADHN Cc1ccc(NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)cc1S(N)(=O)=O ZINC000606070811 1072360930 /nfs/dbraw/zinc/36/09/30/1072360930.db2.gz LSTHKERUDBYKGZ-UHFFFAOYSA-N 0 3 437.522 -0.652 20 0 IBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)Nc2ccc(C)c(S(N)(=O)=O)c2)CC1 ZINC000606072019 1072361646 /nfs/dbraw/zinc/36/16/46/1072361646.db2.gz IZTICFJYXOTGQC-UHFFFAOYSA-N 0 3 439.538 -0.406 20 0 IBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)Nc2cc(F)cc(S(N)(=O)=O)c2)CC1 ZINC000606073393 1072361607 /nfs/dbraw/zinc/36/16/07/1072361607.db2.gz WDVAQUOYFKNZBO-UHFFFAOYSA-N 0 3 443.501 -0.576 20 0 IBADHN NC(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)Nc1ccc(CCN2CCOCC2)cc1 ZINC000606121183 1072363647 /nfs/dbraw/zinc/36/36/47/1072363647.db2.gz IZDCFYITVSUGKK-IBGZPJMESA-N 0 3 431.537 -0.044 20 0 IBADHN NC(=O)[C@H]1CCCN1CCCNC(=O)C(=O)Nc1ccc(CCN2CCOCC2)cc1 ZINC000606121189 1072363519 /nfs/dbraw/zinc/36/35/19/1072363519.db2.gz IZDCFYITVSUGKK-LJQANCHMSA-N 0 3 431.537 -0.044 20 0 IBADHN CN(C)CCn1c2cc(NC(=O)C(=O)NCCCN3C(=O)CCC3=O)ccc2oc1=O ZINC000606126988 1072368588 /nfs/dbraw/zinc/36/85/88/1072368588.db2.gz YPJDWSJIWCUSJP-UHFFFAOYSA-N 0 3 431.449 -0.250 20 0 IBADHN Cc1cc(C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)nc2c1c(=O)n(C)c(=O)n2C ZINC000606363328 1072370947 /nfs/dbraw/zinc/37/09/47/1072370947.db2.gz BBXICDLFHURKTA-HNNXBMFYSA-N 0 3 430.509 -0.387 20 0 IBADHN Cc1cc(C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)nc2c1c(=O)n(C)c(=O)n2C ZINC000606363329 1072370899 /nfs/dbraw/zinc/37/08/99/1072370899.db2.gz BBXICDLFHURKTA-OAHLLOKOSA-N 0 3 430.509 -0.387 20 0 IBADHN Cc1cc(C(=O)N2CCC(N3CCC[C@H]3C(N)=O)CC2)nc2c1c(=O)n(C)c(=O)n2C ZINC000606363413 1072371182 /nfs/dbraw/zinc/37/11/82/1072371182.db2.gz GVGKQLGONXESBH-HNNXBMFYSA-N 0 3 428.493 -0.505 20 0 IBADHN Cc1cc(C(=O)N2CCC(N3CCC[C@@H]3C(N)=O)CC2)nc2c1c(=O)n(C)c(=O)n2C ZINC000606363414 1072371169 /nfs/dbraw/zinc/37/11/69/1072371169.db2.gz GVGKQLGONXESBH-OAHLLOKOSA-N 0 3 428.493 -0.505 20 0 IBADHN CCN(CC)CC(=O)N1CCN(C(=O)c2cc(C)c3c(=O)n(C)c(=O)n(C)c3n2)CC1 ZINC000606366106 1072371199 /nfs/dbraw/zinc/37/11/99/1072371199.db2.gz PCEMKVLHOHJDLM-UHFFFAOYSA-N 0 3 430.509 -0.433 20 0 IBADHN C[C@H](CN1CCN(C)CC1)NC(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 ZINC000606682473 1072374630 /nfs/dbraw/zinc/37/46/30/1072374630.db2.gz JXHUTZGWKFSPCW-GOSISDBHSA-N 0 3 432.573 -0.219 20 0 IBADHN C[C@@H](CN1CCN(C)CC1)NC(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 ZINC000606682474 1072374780 /nfs/dbraw/zinc/37/47/80/1072374780.db2.gz JXHUTZGWKFSPCW-SFHVURJKSA-N 0 3 432.573 -0.219 20 0 IBADHN CNS(=O)(=O)c1cc(NC(=O)C(=O)NC[C@H](C)CN2CCN(C)CC2)ccc1C ZINC000606996965 1072377722 /nfs/dbraw/zinc/37/77/22/1072377722.db2.gz GUKGUYNJZNWPIS-AWEZNQCLSA-N 0 3 425.555 -0.159 20 0 IBADHN CNS(=O)(=O)c1cc(NC(=O)C(=O)NC[C@@H](C)CN2CCN(C)CC2)ccc1C ZINC000606996971 1072377791 /nfs/dbraw/zinc/37/77/91/1072377791.db2.gz GUKGUYNJZNWPIS-CQSZACIVSA-N 0 3 425.555 -0.159 20 0 IBADHN CCc1ccc(NC(=O)C(=O)NC[C@H](C)CN2CCN(C)CC2)cc1S(N)(=O)=O ZINC000606999982 1072378301 /nfs/dbraw/zinc/37/83/01/1072378301.db2.gz XOIUFRAEFKRMKT-AWEZNQCLSA-N 0 3 425.555 -0.165 20 0 IBADHN CCc1ccc(NC(=O)C(=O)NC[C@@H](C)CN2CCN(C)CC2)cc1S(N)(=O)=O ZINC000606999984 1072378353 /nfs/dbraw/zinc/37/83/53/1072378353.db2.gz XOIUFRAEFKRMKT-CQSZACIVSA-N 0 3 425.555 -0.165 20 0 IBADHN CN1CCN(CCCCNC(=O)[C@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)CC1 ZINC000607045554 1072379382 /nfs/dbraw/zinc/37/93/82/1072379382.db2.gz VQYISGRRKSKOQX-INIZCTEOSA-N 0 3 437.566 -0.169 20 0 IBADHN CN1CCN(CCCCNC(=O)[C@@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)CC1 ZINC000607045556 1072379409 /nfs/dbraw/zinc/37/94/09/1072379409.db2.gz VQYISGRRKSKOQX-MRXNPFEDSA-N 0 3 437.566 -0.169 20 0 IBADHN C[C@H](CNC(=O)c1cccc(C(=O)NC[C@H](C)N2CCN(C)CC2)n1)N1CCN(C)CC1 ZINC000607190380 1072380512 /nfs/dbraw/zinc/38/05/12/1072380512.db2.gz JWYUUNXUCCYTQM-KDURUIRLSA-N 0 3 445.612 -0.187 20 0 IBADHN C[C@@H](CNC(=O)c1cccc(C(=O)NC[C@H](C)N2CCN(C)CC2)n1)N1CCN(C)CC1 ZINC000607190381 1072380554 /nfs/dbraw/zinc/38/05/54/1072380554.db2.gz JWYUUNXUCCYTQM-OALUTQOASA-N 0 3 445.612 -0.187 20 0 IBADHN C[C@H](CNC(=O)c1cccc(C(=O)NC[C@@H](C)N2CCN(C)CC2)n1)N1CCN(C)CC1 ZINC000607190382 1072380359 /nfs/dbraw/zinc/38/03/59/1072380359.db2.gz JWYUUNXUCCYTQM-RTBURBONSA-N 0 3 445.612 -0.187 20 0 IBADHN COCCNS(=O)(=O)c1c[n-]c(C(=O)NCCC[N@H+]2CCC[C@H]2C(=O)N(C)C)c1 ZINC000607285085 1072383335 /nfs/dbraw/zinc/38/33/35/1072383335.db2.gz GIVHENUPLBAALM-INIZCTEOSA-N 0 3 429.543 -0.388 20 0 IBADHN COCCNS(=O)(=O)c1c[n-]c(C(=O)NCCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)c1 ZINC000607285085 1072383329 /nfs/dbraw/zinc/38/33/29/1072383329.db2.gz GIVHENUPLBAALM-INIZCTEOSA-N 0 3 429.543 -0.388 20 0 IBADHN COCCNS(=O)(=O)c1c[nH]c(C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)c1 ZINC000607285085 1072383318 /nfs/dbraw/zinc/38/33/18/1072383318.db2.gz GIVHENUPLBAALM-INIZCTEOSA-N 0 3 429.543 -0.388 20 0 IBADHN COCCNS(=O)(=O)c1c[n-]c(C(=O)NCCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)c1 ZINC000607285088 1072383131 /nfs/dbraw/zinc/38/31/31/1072383131.db2.gz GIVHENUPLBAALM-MRXNPFEDSA-N 0 3 429.543 -0.388 20 0 IBADHN COCCNS(=O)(=O)c1c[n-]c(C(=O)NCCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)c1 ZINC000607285088 1072383121 /nfs/dbraw/zinc/38/31/21/1072383121.db2.gz GIVHENUPLBAALM-MRXNPFEDSA-N 0 3 429.543 -0.388 20 0 IBADHN COCCNS(=O)(=O)c1c[nH]c(C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)c1 ZINC000607285088 1072383112 /nfs/dbraw/zinc/38/31/12/1072383112.db2.gz GIVHENUPLBAALM-MRXNPFEDSA-N 0 3 429.543 -0.388 20 0 IBADHN COCCN1CCC[C@H]1CNC(=O)NC1CCN(S(=O)(=O)c2cnn(C)c2)CC1 ZINC000607377119 1072385048 /nfs/dbraw/zinc/38/50/48/1072385048.db2.gz OJBFIZHBSRVEHV-INIZCTEOSA-N 0 3 428.559 -0.017 20 0 IBADHN COCCN1CCC[C@@H]1CNC(=O)NC1CCN(S(=O)(=O)c2cnn(C)c2)CC1 ZINC000607377120 1072384998 /nfs/dbraw/zinc/38/49/98/1072384998.db2.gz OJBFIZHBSRVEHV-MRXNPFEDSA-N 0 3 428.559 -0.017 20 0 IBADHN CS(=O)(=O)N1CCN(CCNC(=O)NC[C@@]2(O)CCN(Cc3ccccc3)C2)CC1 ZINC000607410751 1072386221 /nfs/dbraw/zinc/38/62/21/1072386221.db2.gz OSRWVUBXXRWAPS-FQEVSTJZSA-N 0 3 439.582 -0.500 20 0 IBADHN CS(=O)(=O)N1CCN(CCNC(=O)NC[C@]2(O)CCN(Cc3ccccc3)C2)CC1 ZINC000607410752 1072386149 /nfs/dbraw/zinc/38/61/49/1072386149.db2.gz OSRWVUBXXRWAPS-HXUWFJFHSA-N 0 3 439.582 -0.500 20 0 IBADHN Cc1noc(C)c1S(=O)(=O)[N-][C@@H](C)C(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000607679345 1072388517 /nfs/dbraw/zinc/38/85/17/1072388517.db2.gz GPSLTWISROQIRD-LBPRGKRZSA-N 0 3 441.514 -0.529 20 0 IBADHN CCN1CCN(CCCNC(=O)CNS(=O)(=O)c2ccc(CNC(C)=O)s2)CC1 ZINC000607719256 1072390113 /nfs/dbraw/zinc/39/01/13/1072390113.db2.gz UWKNVRPHIIKMFS-UHFFFAOYSA-N 0 3 445.611 -0.194 20 0 IBADHN CS(=O)(=O)N[C@H]1CCCN(CC2(CN3CCC[C@H](NS(C)(=O)=O)C3)COC2)C1 ZINC000607724115 1072389990 /nfs/dbraw/zinc/38/99/90/1072389990.db2.gz FGPGXAYELZAMOH-HOTGVXAUSA-N 0 3 438.616 -0.970 20 0 IBADHN CS(=O)(=O)N[C@@H]1CCCN(CC2(CN3CCC[C@@H](NS(C)(=O)=O)C3)COC2)C1 ZINC000607724116 1072390083 /nfs/dbraw/zinc/39/00/83/1072390083.db2.gz FGPGXAYELZAMOH-HZPDHXFCSA-N 0 3 438.616 -0.970 20 0 IBADHN CS(=O)(=O)N[C@@H]1CCCN(CC2(CN3CCC[C@H](NS(C)(=O)=O)C3)COC2)C1 ZINC000607724117 1072389951 /nfs/dbraw/zinc/38/99/51/1072389951.db2.gz FGPGXAYELZAMOH-IYBDPMFKSA-N 0 3 438.616 -0.970 20 0 IBADHN Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CCC(N2CCC[C@H]2C(N)=O)CC1 ZINC000607898215 1072391173 /nfs/dbraw/zinc/39/11/73/1072391173.db2.gz RSGSKIODEDBNIF-BBRMVZONSA-N 0 3 440.570 -0.356 20 0 IBADHN Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N1CCC(N2CCC[C@H]2C(N)=O)CC1 ZINC000607898217 1072391058 /nfs/dbraw/zinc/39/10/58/1072391058.db2.gz RSGSKIODEDBNIF-CJNGLKHVSA-N 0 3 440.570 -0.356 20 0 IBADHN Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N1CCC(N2CCC[C@@H]2C(N)=O)CC1 ZINC000607898219 1072391465 /nfs/dbraw/zinc/39/14/65/1072391465.db2.gz RSGSKIODEDBNIF-CZUORRHYSA-N 0 3 440.570 -0.356 20 0 IBADHN Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CCC(N2CCC[C@@H]2C(N)=O)CC1 ZINC000607898220 1072391030 /nfs/dbraw/zinc/39/10/30/1072391030.db2.gz RSGSKIODEDBNIF-XJKSGUPXSA-N 0 3 440.570 -0.356 20 0 IBADHN CNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NCCCCN1CCN(C)CC1)CC2 ZINC000608521887 1072398737 /nfs/dbraw/zinc/39/87/37/1072398737.db2.gz XAGKARYKUQYZBE-UHFFFAOYSA-N 0 3 437.566 -0.372 20 0 IBADHN COC(=O)[C@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)C(=O)NCCN(C)C)cc2)C1 ZINC000609811758 1072975754 /nfs/dbraw/zinc/97/57/54/1072975754.db2.gz RSFBZAFOLCUQGF-AWEZNQCLSA-N 0 3 440.522 -0.123 20 0 IBADHN COC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(NC(=O)C(=O)NCCN(C)C)cc2)C1 ZINC000609811759 1072975793 /nfs/dbraw/zinc/97/57/93/1072975793.db2.gz RSFBZAFOLCUQGF-CQSZACIVSA-N 0 3 440.522 -0.123 20 0 IBADHN COC(=O)[C@@H]1CN(C(=O)C(=O)NCCCCN2CCN(CCO)CC2)c2ccccc2O1 ZINC000609957543 1072626889 /nfs/dbraw/zinc/62/68/89/1072626889.db2.gz NPFMGQNLHBBLQC-IBGZPJMESA-N 0 3 448.520 -0.540 20 0 IBADHN COC(=O)[C@H]1CN(C(=O)C(=O)NCCCCN2CCN(CCO)CC2)c2ccccc2O1 ZINC000609957566 1072979494 /nfs/dbraw/zinc/97/94/94/1072979494.db2.gz NPFMGQNLHBBLQC-LJQANCHMSA-N 0 3 448.520 -0.540 20 0 IBADHN CC(C)N1CCN([C@@H]2CCN(C(=O)NCCN3CCN(S(C)(=O)=O)CC3)C2)CC1 ZINC000610732260 1071032664 /nfs/dbraw/zinc/03/26/64/1071032664.db2.gz QYDLOUXKSOPGBA-GOSISDBHSA-N 0 3 430.619 -0.627 20 0 IBADHN CC(C)N1CCN([C@H]2CCN(C(=O)NCCN3CCN(S(C)(=O)=O)CC3)C2)CC1 ZINC000610732261 1071032693 /nfs/dbraw/zinc/03/26/93/1071032693.db2.gz QYDLOUXKSOPGBA-SFHVURJKSA-N 0 3 430.619 -0.627 20 0 IBADHN CCOC(=O)Cn1cccc(NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)c1=O ZINC000611099241 1073365471 /nfs/dbraw/zinc/36/54/71/1073365471.db2.gz SHGQJQBBBSHXKX-UHFFFAOYSA-N 0 3 447.492 -0.884 20 0 IBADHN CCOC(=O)Cn1cccc(NC(=O)C(=O)N2CCN(C(=O)CN(CC)CC)CC2)c1=O ZINC000611099256 1073365593 /nfs/dbraw/zinc/36/55/93/1073365593.db2.gz UDCRITNRMGLSMO-UHFFFAOYSA-N 0 3 449.508 -0.638 20 0 IBADHN O=C(CN1CCC(CN2CCOCC2)CC1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000613440817 1071310128 /nfs/dbraw/zinc/31/01/28/1071310128.db2.gz QXFSQQVBSOCDAF-IBGZPJMESA-N 0 3 428.599 -0.638 20 0 IBADHN O=C(CN1CCC(CN2CCOCC2)CC1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000613440821 1071310154 /nfs/dbraw/zinc/31/01/54/1071310154.db2.gz QXFSQQVBSOCDAF-LJQANCHMSA-N 0 3 428.599 -0.638 20 0 IBADHN CN1CCN(Cc2ccc(CNC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)cc2)CC1 ZINC000613840945 1071430344 /nfs/dbraw/zinc/43/03/44/1071430344.db2.gz UZKJZHHTHJMQMM-UHFFFAOYSA-N 0 3 439.520 -0.503 20 0 IBADHN CN1CCN(CCCNC(=O)C(=O)Nc2ccc(CC(=O)N3CCN(C)CC3)cc2)CC1 ZINC000616265583 1072997939 /nfs/dbraw/zinc/99/79/39/1072997939.db2.gz MTGFUNQDPAVYIG-UHFFFAOYSA-N 0 3 444.580 -0.305 20 0 IBADHN CCN1CCN(Cc2ccc(CNC(=O)C(=O)Nc3cnn(CC(N)=O)c3)cc2)CC1 ZINC000616357221 1072999173 /nfs/dbraw/zinc/99/91/73/1072999173.db2.gz HRWURAHUORDYGW-UHFFFAOYSA-N 0 3 427.509 -0.239 20 0 IBADHN C[C@@H](CNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)N1CCCC1 ZINC000616363889 1072999144 /nfs/dbraw/zinc/99/91/44/1072999144.db2.gz RBCGOCOLSXKWPB-AWEZNQCLSA-N 0 3 437.522 -0.654 20 0 IBADHN C[C@H](CNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)N1CCCC1 ZINC000616363890 1072999779 /nfs/dbraw/zinc/99/97/79/1072999779.db2.gz RBCGOCOLSXKWPB-CQSZACIVSA-N 0 3 437.522 -0.654 20 0 IBADHN CCN1CCN(CCNC(=O)C(=O)Nc2ccc(CC(=O)N3CCN(C)CC3)cc2)CC1 ZINC000616374510 1072999899 /nfs/dbraw/zinc/99/98/99/1072999899.db2.gz AQNCZXLEHNNVOT-UHFFFAOYSA-N 0 3 444.580 -0.305 20 0 IBADHN NC(=O)Cn1cc(NC(=O)C(=O)NCCCN2CCN(Cc3ccccc3)CC2)cn1 ZINC000616384983 1072999710 /nfs/dbraw/zinc/99/97/10/1072999710.db2.gz YPIUQHUJQCVYLZ-UHFFFAOYSA-N 0 3 427.509 -0.369 20 0 IBADHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC000616468871 1073001982 /nfs/dbraw/zinc/00/19/82/1073001982.db2.gz VFTIFOFHQXJBAL-UHFFFAOYSA-N 0 3 445.520 -0.012 20 0 IBADHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC000616476524 1073001615 /nfs/dbraw/zinc/00/16/15/1073001615.db2.gz XYUSFBVXKGISTB-UHFFFAOYSA-N 0 3 431.493 -0.355 20 0 IBADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)N3CCN(S(C)(=O)=O)CC3)cc2)CC1 ZINC000616934312 1073006528 /nfs/dbraw/zinc/00/65/28/1073006528.db2.gz INCZNUASAVBJOV-UHFFFAOYSA-N 0 3 437.566 -0.134 20 0 IBADHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)N1CCN(S(=O)(=O)N(C)C)CC1 ZINC000617518937 1073012016 /nfs/dbraw/zinc/01/20/16/1073012016.db2.gz GORHDCZSHSNTIO-UHFFFAOYSA-N 0 3 427.527 -0.354 20 0 IBADHN C[C@@H](CNC(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C)CN1CCN(C)CC1 ZINC000618399742 1073018583 /nfs/dbraw/zinc/01/85/83/1073018583.db2.gz FLBXMJNBFWVBAS-INIZCTEOSA-N 0 3 427.571 -0.341 20 0 IBADHN C[C@H](CNC(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C)CN1CCN(C)CC1 ZINC000618399743 1073018811 /nfs/dbraw/zinc/01/88/11/1073018811.db2.gz FLBXMJNBFWVBAS-MRXNPFEDSA-N 0 3 427.571 -0.341 20 0 IBADHN CCOC(=O)[C@]1(C(C)C)CCN(CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C1 ZINC000618547834 1073018917 /nfs/dbraw/zinc/01/89/17/1073018917.db2.gz NQYXCKWRXHVPCQ-JOCHJYFZSA-N 0 3 438.569 -0.099 20 0 IBADHN CCOC(=O)[C@@]1(C(C)C)CCN(CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)C1 ZINC000618547843 1073019322 /nfs/dbraw/zinc/01/93/22/1073019322.db2.gz NQYXCKWRXHVPCQ-QFIPXVFZSA-N 0 3 438.569 -0.099 20 0 IBADHN CN1CCN(c2ccncc2NC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)CC1 ZINC000619176837 1073022153 /nfs/dbraw/zinc/02/21/53/1073022153.db2.gz OFFISUAAXFYXPG-UHFFFAOYSA-N 0 3 426.481 -0.391 20 0 IBADHN COCCNC(=O)[C@H]1CC[C@@H](C)N(CC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)C1 ZINC000619735882 1073025366 /nfs/dbraw/zinc/02/53/66/1073025366.db2.gz FVBGSFOOLHOICR-MSOLQXFVSA-N 0 3 439.601 -0.092 20 0 IBADHN COCCNC(=O)[C@@H]1CC[C@@H](C)N(CC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)C1 ZINC000619735883 1073025352 /nfs/dbraw/zinc/02/53/52/1073025352.db2.gz FVBGSFOOLHOICR-QZTJIDSGSA-N 0 3 439.601 -0.092 20 0 IBADHN COCCNC(=O)[C@H]1CC[C@H](C)N(CC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)C1 ZINC000619735884 1073025454 /nfs/dbraw/zinc/02/54/54/1073025454.db2.gz FVBGSFOOLHOICR-ROUUACIJSA-N 0 3 439.601 -0.092 20 0 IBADHN COCCNC(=O)[C@@H]1CC[C@H](C)N(CC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)C1 ZINC000619735885 1073025559 /nfs/dbraw/zinc/02/55/59/1073025559.db2.gz FVBGSFOOLHOICR-ZWKOTPCHSA-N 0 3 439.601 -0.092 20 0 IBADHN COCCN1CCC(NC(=O)CNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)CC1 ZINC000620313681 1073033583 /nfs/dbraw/zinc/03/35/83/1073033583.db2.gz RMOWCZMGZFGKIJ-UHFFFAOYSA-N 0 3 426.539 -0.106 20 0 IBADHN COCCN1CCC(NC(=O)N2CCN(S(=O)(=O)c3ccc(C(N)=O)o3)CC2)CC1 ZINC000620325244 1073033516 /nfs/dbraw/zinc/03/35/16/1073033516.db2.gz KTXYMSMEWICBLC-UHFFFAOYSA-N 0 3 443.526 -0.495 20 0 IBADHN COCC(=O)NC1CCN(C(=O)C(=O)Nc2ccc3oc(=O)n(CCN(C)C)c3c2)CC1 ZINC000622157599 1073045210 /nfs/dbraw/zinc/04/52/10/1073045210.db2.gz QIVSWWZZSMBPMG-UHFFFAOYSA-N 0 3 447.492 -0.152 20 0 IBADHN NS(=O)(=O)c1ccc2c(c1)oc(=O)n2CC(=O)N1CCCN(C[C@@H]2CCCO2)CC1 ZINC000625192920 1073239364 /nfs/dbraw/zinc/23/93/64/1073239364.db2.gz VOPRVEJJHQQPJJ-AWEZNQCLSA-N 0 3 438.506 -0.045 20 0 IBADHN NS(=O)(=O)c1ccc2c(c1)oc(=O)n2CC(=O)N1CCCN(C[C@H]2CCCO2)CC1 ZINC000625192921 1073239497 /nfs/dbraw/zinc/23/94/97/1073239497.db2.gz VOPRVEJJHQQPJJ-CQSZACIVSA-N 0 3 438.506 -0.045 20 0 IBADHN Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCCCCN1CCN(C)CC1 ZINC000642356589 1072613212 /nfs/dbraw/zinc/61/32/12/1072613212.db2.gz CQXDFRHDWNEFJL-UHFFFAOYSA-N 0 3 427.571 -0.197 20 0 IBADHN CCN1CCN(CCCNC(=O)c2cc(S(=O)(=O)N3CCOCC3)cn2C)CC1 ZINC000642357685 1072613083 /nfs/dbraw/zinc/61/30/83/1072613083.db2.gz KMTAKFPEBJNVNZ-UHFFFAOYSA-N 0 3 427.571 -0.197 20 0 IBADHN CCN1CCN([C@@H](C)CNC(=O)c2cc(S(=O)(=O)N3CCOCC3)cn2C)CC1 ZINC000642572581 1072616693 /nfs/dbraw/zinc/61/66/93/1072616693.db2.gz BBZUFASBOJXLLO-INIZCTEOSA-N 0 3 427.571 -0.198 20 0 IBADHN CCN1CCN([C@H](C)CNC(=O)c2cc(S(=O)(=O)N3CCOCC3)cn2C)CC1 ZINC000642572582 1072617347 /nfs/dbraw/zinc/61/73/47/1072617347.db2.gz BBZUFASBOJXLLO-MRXNPFEDSA-N 0 3 427.571 -0.198 20 0 IBADHN COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)NCCCN1CCN(C)CC1 ZINC000642897822 1072621553 /nfs/dbraw/zinc/62/15/53/1072621553.db2.gz HZXOQOVTLZFFDO-UHFFFAOYSA-N 0 3 441.554 -0.362 20 0 IBADHN CCN1CCN([C@@H](C)CNC(=O)C(=O)Nc2ccc(C)c(S(=O)(=O)NC)c2)CC1 ZINC000643006162 1072623034 /nfs/dbraw/zinc/62/30/34/1072623034.db2.gz IDDGWLUMNJELBH-HNNXBMFYSA-N 0 3 425.555 -0.016 20 0 IBADHN CCN1CCN([C@H](C)CNC(=O)C(=O)Nc2ccc(C)c(S(=O)(=O)NC)c2)CC1 ZINC000643006163 1072623003 /nfs/dbraw/zinc/62/30/03/1072623003.db2.gz IDDGWLUMNJELBH-OAHLLOKOSA-N 0 3 425.555 -0.016 20 0 IBADHN CCN1CCN(CCNC(=O)C(=O)Nc2ccc(C)c(S(=O)(=O)N(C)C)c2)CC1 ZINC000643012168 1072623233 /nfs/dbraw/zinc/62/32/33/1072623233.db2.gz AEWPWOUDILLSPK-UHFFFAOYSA-N 0 3 425.555 -0.062 20 0 IBADHN CCN1CCN(CCNC(=O)C(=O)Nc2ccc(CC(=O)N3CCOCC3)cc2)CC1 ZINC000643012197 1072622984 /nfs/dbraw/zinc/62/29/84/1072622984.db2.gz HZBIWVAFPOQRBS-UHFFFAOYSA-N 0 3 431.537 -0.220 20 0 IBADHN CCN1CCN(CCNC(=O)C(=O)Nc2ccc(NC(=O)CN3CCOCC3)cc2)CC1 ZINC000643012214 1072623161 /nfs/dbraw/zinc/62/31/61/1072623161.db2.gz NHHWAZZWTWAAKV-UHFFFAOYSA-N 0 3 446.552 -0.351 20 0 IBADHN CCN1CCN(CCNC(=O)C(=O)Nc2ccccc2C(=O)N2CCN(C)CC2)CC1 ZINC000643012226 1072623186 /nfs/dbraw/zinc/62/31/86/1072623186.db2.gz PPCIKWGOBSJGSY-UHFFFAOYSA-N 0 3 430.553 -0.234 20 0 IBADHN COc1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)NCCCN2CCN(C)CC2)cc1 ZINC000643013688 1072623108 /nfs/dbraw/zinc/62/31/08/1072623108.db2.gz GQKGTZVMTDJVCZ-APWZRJJASA-N 0 3 440.566 -0.427 20 0 IBADHN COc1ccc(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)NCCCN2CCN(C)CC2)cc1 ZINC000643013689 1072623072 /nfs/dbraw/zinc/62/30/72/1072623072.db2.gz GQKGTZVMTDJVCZ-LPHOPBHVSA-N 0 3 440.566 -0.427 20 0 IBADHN CN1CCN(CCCNC(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000643014252 1072623206 /nfs/dbraw/zinc/62/32/06/1072623206.db2.gz BGPSCDDLZOCZMW-WMZOPIPTSA-N 0 3 428.530 -0.297 20 0 IBADHN COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1NC(=O)C(=O)NC[C@H](C)N(C)C ZINC000643071293 1072624794 /nfs/dbraw/zinc/62/47/94/1072624794.db2.gz DXBGBIWQPVHHBD-AWEZNQCLSA-N 0 3 441.554 -0.364 20 0 IBADHN COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1NC(=O)C(=O)NC[C@@H](C)N(C)C ZINC000643071294 1072624756 /nfs/dbraw/zinc/62/47/56/1072624756.db2.gz DXBGBIWQPVHHBD-CQSZACIVSA-N 0 3 441.554 -0.364 20 0 IBADHN COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C(=O)NC[C@@H](C)N(C)C ZINC000643071371 1072624976 /nfs/dbraw/zinc/62/49/76/1072624976.db2.gz KPAKXQVMUQNAEE-CYBMUJFWSA-N 0 3 428.511 -0.279 20 0 IBADHN COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C(=O)NC[C@H](C)N(C)C ZINC000643071372 1072624712 /nfs/dbraw/zinc/62/47/12/1072624712.db2.gz KPAKXQVMUQNAEE-ZDUSSCGKSA-N 0 3 428.511 -0.279 20 0 IBADHN COc1ccc(NC(=O)C(=O)NC[C@@H](C)N(C)C)cc1S(=O)(=O)N1CCOCC1 ZINC000643071448 1072624875 /nfs/dbraw/zinc/62/48/75/1072624875.db2.gz PXTQZXXROYQBMF-CYBMUJFWSA-N 0 3 428.511 -0.279 20 0 IBADHN COc1ccc(NC(=O)C(=O)NC[C@H](C)N(C)C)cc1S(=O)(=O)N1CCOCC1 ZINC000643071449 1072624861 /nfs/dbraw/zinc/62/48/61/1072624861.db2.gz PXTQZXXROYQBMF-ZDUSSCGKSA-N 0 3 428.511 -0.279 20 0 IBADHN CN1C[C@H]2CCN(C(=O)C(=O)Nc3cccc(S(=O)(=O)N4CCN(C)CC4)c3)[C@@H]2C1 ZINC000645614258 1072864768 /nfs/dbraw/zinc/86/47/68/1072864768.db2.gz BKQLXOFETJMIQR-CRAIPNDOSA-N 0 3 435.550 -0.276 20 0 IBADHN CN1C[C@@H]2CCN(C(=O)C(=O)Nc3cccc(S(=O)(=O)N4CCN(C)CC4)c3)[C@@H]2C1 ZINC000645614259 1072637648 /nfs/dbraw/zinc/63/76/48/1072637648.db2.gz BKQLXOFETJMIQR-MAUKXSAKSA-N 0 3 435.550 -0.276 20 0 IBADHN CN1C[C@H]2CCN(C(=O)C(=O)Nc3cccc(S(=O)(=O)N4CCN(C)CC4)c3)[C@H]2C1 ZINC000645614260 1072637755 /nfs/dbraw/zinc/63/77/55/1072637755.db2.gz BKQLXOFETJMIQR-QAPCUYQASA-N 0 3 435.550 -0.276 20 0 IBADHN CN1C[C@H]2[C@@H](CCN2C(=O)C(=O)Nc2cccc(S(=O)(=O)N3CCN(C)CC3)c2)C1 ZINC000645614261 1072637879 /nfs/dbraw/zinc/63/78/79/1072637879.db2.gz BKQLXOFETJMIQR-YJBOKZPZSA-N 0 3 435.550 -0.276 20 0 IBADHN CN(C(=O)CN1CCN(C)CC1)c1ccc(NC(=O)C(=O)N2CC[C@H]3CN(C)C[C@H]32)cc1 ZINC000645614880 1072637786 /nfs/dbraw/zinc/63/77/86/1072637786.db2.gz KEEPTDXAZOLOJY-FXAWDEMLSA-N 0 3 442.564 -0.002 20 0 IBADHN CN(C(=O)CN1CCN(C)CC1)c1ccc(NC(=O)C(=O)N2CC[C@H]3CN(C)C[C@@H]32)cc1 ZINC000645614881 1072637557 /nfs/dbraw/zinc/63/75/57/1072637557.db2.gz KEEPTDXAZOLOJY-PXNSSMCTSA-N 0 3 442.564 -0.002 20 0 IBADHN CN(C(=O)CN1CCN(C)CC1)c1ccc(NC(=O)C(=O)N2CC[C@@H]3CN(C)C[C@@H]32)cc1 ZINC000645614882 1072637741 /nfs/dbraw/zinc/63/77/41/1072637741.db2.gz KEEPTDXAZOLOJY-XLIONFOSSA-N 0 3 442.564 -0.002 20 0 IBADHN CN(C(=O)CN1CCN(C)CC1)c1ccc(NC(=O)C(=O)N2CC[C@@H]3CN(C)C[C@H]32)cc1 ZINC000645614883 1072637580 /nfs/dbraw/zinc/63/75/80/1072637580.db2.gz KEEPTDXAZOLOJY-YLJYHZDGSA-N 0 3 442.564 -0.002 20 0 IBADHN CN1C[C@H]2[C@@H](CCN2C(=O)C(=O)Nc2ccc(C(=O)NCCN3CCOCC3)cc2)C1 ZINC000645618345 1072637711 /nfs/dbraw/zinc/63/77/11/1072637711.db2.gz JIJWHGNJLSCHCP-HKUYNNGSSA-N 0 3 429.521 -0.150 20 0 IBADHN CN1C[C@H]2CCN(C(=O)C(=O)Nc3ccc(C(=O)NCCN4CCOCC4)cc3)[C@@H]2C1 ZINC000645618346 1072637808 /nfs/dbraw/zinc/63/78/08/1072637808.db2.gz JIJWHGNJLSCHCP-IEBWSBKVSA-N 0 3 429.521 -0.150 20 0 IBADHN CN1C[C@H]2CCN(C(=O)C(=O)Nc3ccc(C(=O)NCCN4CCOCC4)cc3)[C@H]2C1 ZINC000645618347 1072637866 /nfs/dbraw/zinc/63/78/66/1072637866.db2.gz JIJWHGNJLSCHCP-MJGOQNOKSA-N 0 3 429.521 -0.150 20 0 IBADHN CN1C[C@@H]2CCN(C(=O)C(=O)Nc3ccc(C(=O)NCCN4CCOCC4)cc3)[C@@H]2C1 ZINC000645618348 1072637691 /nfs/dbraw/zinc/63/76/91/1072637691.db2.gz JIJWHGNJLSCHCP-PKOBYXMFSA-N 0 3 429.521 -0.150 20 0 IBADHN CN1C[C@H]2[C@@H](CCN2C(=O)C(=O)N2C[C@@H](C(=O)N3CCOCC3)Oc3ccccc32)C1 ZINC000645620078 1072637666 /nfs/dbraw/zinc/63/76/66/1072637666.db2.gz ATQDLXYZZJGLSO-IEZWGBDMSA-N 0 3 428.489 -0.198 20 0 IBADHN CN1C[C@@H]2CCN(C(=O)C(=O)N3C[C@H](C(=O)N4CCOCC4)Oc4ccccc43)[C@@H]2C1 ZINC000645620081 1072637611 /nfs/dbraw/zinc/63/76/11/1072637611.db2.gz ATQDLXYZZJGLSO-KVSKMBFKSA-N 0 3 428.489 -0.198 20 0 IBADHN CN1C[C@H]2[C@@H](CCN2C(=O)C(=O)N2C[C@H](C(=O)N3CCOCC3)Oc3ccccc32)C1 ZINC000645620084 1072637796 /nfs/dbraw/zinc/63/77/96/1072637796.db2.gz ATQDLXYZZJGLSO-VDZJLULYSA-N 0 3 428.489 -0.198 20 0 IBADHN CN1C[C@@H]2CCN(C(=O)C(=O)N3C[C@@H](C(=O)N4CCOCC4)Oc4ccccc43)[C@@H]2C1 ZINC000645620086 1072637768 /nfs/dbraw/zinc/63/77/68/1072637768.db2.gz ATQDLXYZZJGLSO-WDYCEAGBSA-N 0 3 428.489 -0.198 20 0 IBADHN CN1C[C@H]2CCN(C(=O)C(=O)Nc3ccc(S(=O)(=O)N4CCN(C)CC4)cc3)[C@@H]2C1 ZINC000645623449 1072637829 /nfs/dbraw/zinc/63/78/29/1072637829.db2.gz QBESYLUJKPVZKW-CRAIPNDOSA-N 0 3 435.550 -0.276 20 0 IBADHN CN1C[C@@H]2CCN(C(=O)C(=O)Nc3ccc(S(=O)(=O)N4CCN(C)CC4)cc3)[C@@H]2C1 ZINC000645623450 1072637845 /nfs/dbraw/zinc/63/78/45/1072637845.db2.gz QBESYLUJKPVZKW-MAUKXSAKSA-N 0 3 435.550 -0.276 20 0 IBADHN CN1C[C@H]2CCN(C(=O)C(=O)Nc3ccc(S(=O)(=O)N4CCN(C)CC4)cc3)[C@H]2C1 ZINC000645623451 1072865443 /nfs/dbraw/zinc/86/54/43/1072865443.db2.gz QBESYLUJKPVZKW-QAPCUYQASA-N 0 3 435.550 -0.276 20 0 IBADHN CN1C[C@H]2[C@@H](CCN2C(=O)C(=O)Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2)C1 ZINC000645623452 1072637856 /nfs/dbraw/zinc/63/78/56/1072637856.db2.gz QBESYLUJKPVZKW-YJBOKZPZSA-N 0 3 435.550 -0.276 20 0 IBADHN CN1C[C@H]2[C@@H](CCN2C(=O)C(=O)Nc2ccc(F)c(S(=O)(=O)N3CCOCC3)c2)C1 ZINC000645623982 1072638624 /nfs/dbraw/zinc/63/86/24/1072638624.db2.gz VHODOGKDDOYUGM-BBRMVZONSA-N 0 3 440.497 -0.052 20 0 IBADHN CN1C[C@H]2CCN(C(=O)C(=O)Nc3ccc(F)c(S(=O)(=O)N4CCOCC4)c3)[C@H]2C1 ZINC000645624007 1072865398 /nfs/dbraw/zinc/86/53/98/1072865398.db2.gz VHODOGKDDOYUGM-CJNGLKHVSA-N 0 3 440.497 -0.052 20 0 IBADHN CN1C[C@H]2CCN(C(=O)C(=O)Nc3ccc(F)c(S(=O)(=O)N4CCOCC4)c3)[C@@H]2C1 ZINC000645624008 1072638574 /nfs/dbraw/zinc/63/85/74/1072638574.db2.gz VHODOGKDDOYUGM-CZUORRHYSA-N 0 3 440.497 -0.052 20 0 IBADHN CN1C[C@@H]2CCN(C(=O)C(=O)Nc3ccc(F)c(S(=O)(=O)N4CCOCC4)c3)[C@@H]2C1 ZINC000645624009 1072638544 /nfs/dbraw/zinc/63/85/44/1072638544.db2.gz VHODOGKDDOYUGM-XJKSGUPXSA-N 0 3 440.497 -0.052 20 0 IBADHN CN1C[C@H]2CCN(C(=O)C(=O)Nc3ccc(N4CCN(S(C)(=O)=O)CC4)nc3)[C@@H]2C1 ZINC000645625827 1072638430 /nfs/dbraw/zinc/63/84/30/1072638430.db2.gz MNVVYCMSZAQVNE-GDBMZVCRSA-N 0 3 436.538 -0.736 20 0 IBADHN CN1C[C@@H]2CCN(C(=O)C(=O)Nc3ccc(N4CCN(S(C)(=O)=O)CC4)nc3)[C@@H]2C1 ZINC000645625832 1072638466 /nfs/dbraw/zinc/63/84/66/1072638466.db2.gz MNVVYCMSZAQVNE-GOEBONIOSA-N 0 3 436.538 -0.736 20 0 IBADHN CN1C[C@H]2[C@@H](CCN2C(=O)C(=O)Nc2ccc(N3CCN(S(C)(=O)=O)CC3)nc2)C1 ZINC000645625834 1072638605 /nfs/dbraw/zinc/63/86/05/1072638605.db2.gz MNVVYCMSZAQVNE-HOCLYGCPSA-N 0 3 436.538 -0.736 20 0 IBADHN CN1C[C@H]2CCN(C(=O)C(=O)Nc3ccc(N4CCN(S(C)(=O)=O)CC4)nc3)[C@H]2C1 ZINC000645625836 1072638393 /nfs/dbraw/zinc/63/83/93/1072638393.db2.gz MNVVYCMSZAQVNE-ZBFHGGJFSA-N 0 3 436.538 -0.736 20 0 IBADHN O=C(CNC(=O)C(=O)N=c1ccn(Cc2ccncc2)[nH]1)NCCN1CCCCCC1 ZINC000645750211 1072638560 /nfs/dbraw/zinc/63/85/60/1072638560.db2.gz CITUGTJOIWKDQM-UHFFFAOYSA-N 0 3 427.509 -0.205 20 0 IBADHN Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)N[C@H](CO)CN(C)C)CC2)cc1 ZINC000646210636 1072641101 /nfs/dbraw/zinc/64/11/01/1072641101.db2.gz BVMSZXMOBJFFSN-KRWDZBQOSA-N 0 3 440.566 -0.353 20 0 IBADHN Cc1ccc(S(=O)(=O)N2CCN(C(=O)CCC(=O)N[C@@H](CO)CN(C)C)CC2)cc1 ZINC000646210637 1072641247 /nfs/dbraw/zinc/64/12/47/1072641247.db2.gz BVMSZXMOBJFFSN-QGZVFWFLSA-N 0 3 440.566 -0.353 20 0 IBADHN CN(C)C[C@@H](CO)NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000646210846 1072641213 /nfs/dbraw/zinc/64/12/13/1072641213.db2.gz JFNJZQQPDQDZEV-HNNXBMFYSA-N 0 3 427.523 -0.103 20 0 IBADHN CN(C)C[C@H](CO)NC(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC000646210847 1072641265 /nfs/dbraw/zinc/64/12/65/1072641265.db2.gz JFNJZQQPDQDZEV-OAHLLOKOSA-N 0 3 427.523 -0.103 20 0 IBADHN CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)N[C@@H](CO)CN3CCCC3)cc2)CC1 ZINC000646221898 1072641224 /nfs/dbraw/zinc/64/12/24/1072641224.db2.gz NKECDKLRCJHGRB-GOSISDBHSA-N 0 3 438.550 -0.274 20 0 IBADHN CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)N[C@H](CO)CN3CCCC3)cc2)CC1 ZINC000646221902 1072641275 /nfs/dbraw/zinc/64/12/75/1072641275.db2.gz NKECDKLRCJHGRB-SFHVURJKSA-N 0 3 438.550 -0.274 20 0 IBADHN COc1ccc(C(=O)N[C@H](CO)CN2CCCC2)cc1S(=O)(=O)N1CCOCC1 ZINC000646222015 1072267285 /nfs/dbraw/zinc/26/72/85/1072267285.db2.gz ONMAJZGBMKBXCM-INIZCTEOSA-N 0 3 427.523 -0.097 20 0 IBADHN COc1ccc(C(=O)N[C@@H](CO)CN2CCCC2)cc1S(=O)(=O)N1CCOCC1 ZINC000646222018 1072641232 /nfs/dbraw/zinc/64/12/32/1072641232.db2.gz ONMAJZGBMKBXCM-MRXNPFEDSA-N 0 3 427.523 -0.097 20 0 IBADHN COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N[C@H](CO)CN1CCCC1 ZINC000646223150 1072641164 /nfs/dbraw/zinc/64/11/64/1072641164.db2.gz CFCNYRBHSTYAQE-HNNXBMFYSA-N 0 3 427.523 -0.097 20 0 IBADHN COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)N[C@@H](CO)CN1CCCC1 ZINC000646223151 1072641269 /nfs/dbraw/zinc/64/12/69/1072641269.db2.gz CFCNYRBHSTYAQE-OAHLLOKOSA-N 0 3 427.523 -0.097 20 0 IBADHN CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)N[C@H](CO)CN2CCCC2)c1 ZINC000646224503 1072641137 /nfs/dbraw/zinc/64/11/37/1072641137.db2.gz WQEUFHLVSPUIOO-INIZCTEOSA-N 0 3 440.566 -0.040 20 0 IBADHN CN(C)S(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)N[C@@H](CO)CN2CCCC2)c1 ZINC000646224504 1072641078 /nfs/dbraw/zinc/64/10/78/1072641078.db2.gz WQEUFHLVSPUIOO-MRXNPFEDSA-N 0 3 440.566 -0.040 20 0 IBADHN COCCN(C)CCN1C[C@@H](NC(=O)c2cccc(S(=O)(=O)N(C)C)c2)CC1=O ZINC000646239611 1072642001 /nfs/dbraw/zinc/64/20/01/1072642001.db2.gz XWCIHYXPMFEJAZ-INIZCTEOSA-N 0 3 426.539 -0.154 20 0 IBADHN COCCN(C)CCN1C[C@H](NC(=O)c2cccc(S(=O)(=O)N(C)C)c2)CC1=O ZINC000646239612 1072641803 /nfs/dbraw/zinc/64/18/03/1072641803.db2.gz XWCIHYXPMFEJAZ-MRXNPFEDSA-N 0 3 426.539 -0.154 20 0 IBADHN COCCN(C)CCN1C[C@H](NC(=O)[C@H](C)NS(=O)(=O)c2c(C)noc2C)CC1=O ZINC000646239873 1072641765 /nfs/dbraw/zinc/64/17/65/1072641765.db2.gz LPTJUSASKNWAKM-DZGCQCFKSA-N 0 3 445.542 -0.746 20 0 IBADHN COCCN(C)CCN1C[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c2c(C)noc2C)CC1=O ZINC000646239874 1072641830 /nfs/dbraw/zinc/64/18/30/1072641830.db2.gz LPTJUSASKNWAKM-ZFWWWQNUSA-N 0 3 445.542 -0.746 20 0 IBADHN COCCN(C)CCN1C[C@@H](NC(=O)[C@H](C)NS(=O)(=O)c2ccccc2F)CC1=O ZINC000646239887 1072642051 /nfs/dbraw/zinc/64/20/51/1072642051.db2.gz QHJSJLPSKUINGU-GJZGRUSLSA-N 0 3 444.529 -0.212 20 0 IBADHN COCCN(C)CCN1C[C@H](NC(=O)[C@H](C)NS(=O)(=O)c2ccccc2F)CC1=O ZINC000646239888 1072642025 /nfs/dbraw/zinc/64/20/25/1072642025.db2.gz QHJSJLPSKUINGU-LSDHHAIUSA-N 0 3 444.529 -0.212 20 0 IBADHN CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)N1C[C@H](O)[C@@H](N(C)C)C1 ZINC000646306281 1072642087 /nfs/dbraw/zinc/64/20/87/1072642087.db2.gz UZBHXKKNSACFFZ-MPGHIAIKSA-N 0 3 427.523 -0.106 20 0 IBADHN CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N2CC(CN3CCN(C)CC3)C2)c1 ZINC000646459232 1072643333 /nfs/dbraw/zinc/64/33/33/1072643333.db2.gz OUKCRCKZHISZFQ-UHFFFAOYSA-N 0 3 439.582 -0.415 20 0 IBADHN CCN1CC[C@H]2OCCN(C(=O)c3cc(S(=O)(=O)N4CCOCC4)cn3C)[C@H]2C1 ZINC000647217108 1071023518 /nfs/dbraw/zinc/02/35/18/1071023518.db2.gz UGNYAVAPRBOFPA-ZWKOTPCHSA-N 0 3 426.539 -0.019 20 0 IBADHN O=C(NC[C@@H]1CN2CCN1CCC2)[C@@H]1CCCC[C@H]1C(=O)NC[C@H]1CN2CCN1CCC2 ZINC000647677991 1072648140 /nfs/dbraw/zinc/64/81/40/1072648140.db2.gz LPBQCEJRYZBQPI-CIAFKFPVSA-N 0 3 446.640 -0.195 20 0 IBADHN O=C(NC[C@H]1CN2CCN1CCC2)[C@@H]1CCCC[C@H]1C(=O)NC[C@H]1CN2CCN1CCC2 ZINC000647677992 1072647970 /nfs/dbraw/zinc/64/79/70/1072647970.db2.gz LPBQCEJRYZBQPI-FNAHDJPLSA-N 0 3 446.640 -0.195 20 0 IBADHN O=C(NC[C@@H]1CN2CCN1CCC2)[C@@H]1CCCC[C@H]1C(=O)NC[C@@H]1CN2CCN1CCC2 ZINC000647677993 1072648012 /nfs/dbraw/zinc/64/80/12/1072648012.db2.gz LPBQCEJRYZBQPI-GXRSIYKFSA-N 0 3 446.640 -0.195 20 0 IBADHN COc1ccc(C(=O)N2CC[C@H](N3CC[C@@H](O)C3)C2)cc1S(=O)(=O)N1CCOCC1 ZINC000647709439 1071420779 /nfs/dbraw/zinc/42/07/79/1071420779.db2.gz WTOGCMVSKHKCIT-DLBZAZTESA-N 0 3 439.534 -0.003 20 0 IBADHN COc1ccc(C(=O)N2CC[C@@H](N3CC[C@@H](O)C3)C2)cc1S(=O)(=O)N1CCOCC1 ZINC000647709440 1071420694 /nfs/dbraw/zinc/42/06/94/1071420694.db2.gz WTOGCMVSKHKCIT-IAGOWNOFSA-N 0 3 439.534 -0.003 20 0 IBADHN COc1ccc(C(=O)N2CC[C@H](N3CC[C@H](O)C3)C2)cc1S(=O)(=O)N1CCOCC1 ZINC000647709441 1071420971 /nfs/dbraw/zinc/42/09/71/1071420971.db2.gz WTOGCMVSKHKCIT-IRXDYDNUSA-N 0 3 439.534 -0.003 20 0 IBADHN COc1ccc(C(=O)N2CC[C@@H](N3CC[C@H](O)C3)C2)cc1S(=O)(=O)N1CCOCC1 ZINC000647709442 1071421735 /nfs/dbraw/zinc/42/17/35/1071421735.db2.gz WTOGCMVSKHKCIT-SJORKVTESA-N 0 3 439.534 -0.003 20 0 IBADHN C[C@@H](CN1CCOCC1)C(=O)NCCN1CCN(C(=O)[C@@H](C)CN2CCOCC2)CC1 ZINC000647715072 1071425441 /nfs/dbraw/zinc/42/54/41/1071425441.db2.gz LZPHAELLEJCWOU-PMACEKPBSA-N 0 3 439.601 -0.817 20 0 IBADHN C[C@H](CN1CCOCC1)C(=O)NCCN1CCN(C(=O)[C@@H](C)CN2CCOCC2)CC1 ZINC000647715073 1071425383 /nfs/dbraw/zinc/42/53/83/1071425383.db2.gz LZPHAELLEJCWOU-UXHICEINSA-N 0 3 439.601 -0.817 20 0 IBADHN C[C@H](CN1CCOCC1)C(=O)N1CCN(CCNC(=O)[C@@H](C)CN2CCOCC2)CC1 ZINC000647715074 1071425607 /nfs/dbraw/zinc/42/56/07/1071425607.db2.gz LZPHAELLEJCWOU-VQTJNVASSA-N 0 3 439.601 -0.817 20 0 IBADHN C[C@H](CN1CCOCC1)C(=O)NCCN1CCN(C(=O)[C@H](C)CN2CCOCC2)CC1 ZINC000647715075 1071425631 /nfs/dbraw/zinc/42/56/31/1071425631.db2.gz LZPHAELLEJCWOU-WOJBJXKFSA-N 0 3 439.601 -0.817 20 0 IBADHN COCCN(C)CCN1C[C@@H](NC(=O)CCn2[nH]c(=O)c3ccccc3c2=O)CC1=O ZINC000647721223 1071435677 /nfs/dbraw/zinc/43/56/77/1071435677.db2.gz OPUQGVFTDBZSRI-HNNXBMFYSA-N 0 3 431.493 -0.213 20 0 IBADHN COCCN(C)CCN1C[C@H](NC(=O)CCn2[nH]c(=O)c3ccccc3c2=O)CC1=O ZINC000647721224 1071435420 /nfs/dbraw/zinc/43/54/20/1071435420.db2.gz OPUQGVFTDBZSRI-OAHLLOKOSA-N 0 3 431.493 -0.213 20 0 IBADHN COCCN(C)CCN1C[C@H](NC(=O)c2nc3ncc(Br)cn3n2)CC1=O ZINC000647721250 1071435573 /nfs/dbraw/zinc/43/55/73/1071435573.db2.gz QTUSHIBRAQVXAH-GFCCVEGCSA-N 0 3 440.302 -0.204 20 0 IBADHN COCCN(C)CCN1C[C@@H](NC(=O)c2nc3ncc(Br)cn3n2)CC1=O ZINC000647721251 1071435556 /nfs/dbraw/zinc/43/55/56/1071435556.db2.gz QTUSHIBRAQVXAH-LBPRGKRZSA-N 0 3 440.302 -0.204 20 0 IBADHN Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCCN1CCN(C)C(C)(C)C1 ZINC000669622676 1072281924 /nfs/dbraw/zinc/28/19/24/1072281924.db2.gz ZUDPYTMTLVKIHL-UHFFFAOYSA-N 0 3 427.571 -0.198 20 0 IBADHN C[NH+](C)CCn1cc(NC(=O)C(=O)NCC[N-]S(=O)(=O)c2ccc(F)cc2F)cn1 ZINC000669638947 1072286128 /nfs/dbraw/zinc/28/61/28/1072286128.db2.gz YCMSOKGFQGZGNX-UHFFFAOYSA-N 0 3 444.464 -0.244 20 0 IBADHN CN(C)CCn1c2cc(NC(=O)C(=O)NC3CC(NS(C)(=O)=O)C3)ccc2oc1=O ZINC000670228302 1072718035 /nfs/dbraw/zinc/71/80/35/1072718035.db2.gz PMHJGKMEBSASEJ-UHFFFAOYSA-N 0 3 439.494 -0.709 20 0 IBADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)NC3CC(NS(C)(=O)=O)C3)cc2)CC1 ZINC000670228560 1072718052 /nfs/dbraw/zinc/71/80/52/1072718052.db2.gz HHEWYQIVTVCQQF-UHFFFAOYSA-N 0 3 437.566 -0.041 20 0 IBADHN O=C(NC[C@@H]1CN2CCN1CCC2)[C@@H]1CCC[C@H](C(=O)NC[C@@H]2CN3CCN2CCC3)C1 ZINC000670409046 1073227651 /nfs/dbraw/zinc/22/76/51/1073227651.db2.gz DDBPTKQCFVEUJY-CIAFKFPVSA-N 0 3 446.640 -0.195 20 0 IBADHN O=C(NC[C@@H]1CN2CCN1CCC2)[C@@H]1CCC[C@H](C(=O)NC[C@H]2CN3CCN2CCC3)C1 ZINC000670409047 1073227501 /nfs/dbraw/zinc/22/75/01/1073227501.db2.gz DDBPTKQCFVEUJY-COPRSSIGSA-N 0 3 446.640 -0.195 20 0 IBADHN O=C(NC[C@@H]1CN2CCN1CCC2)[C@@H]1CCC[C@@H](C(=O)NC[C@@H]2CN3CCN2CCC3)C1 ZINC000670409048 1073227610 /nfs/dbraw/zinc/22/76/10/1073227610.db2.gz DDBPTKQCFVEUJY-GXRSIYKFSA-N 0 3 446.640 -0.195 20 0 IBADHN O=C(NC[C@@H]1CN2CCN1CCC2)[C@@H]1CCC[C@@H](C(=O)NC[C@H]2CN3CCN2CCC3)C1 ZINC000670409049 1073227424 /nfs/dbraw/zinc/22/74/24/1073227424.db2.gz DDBPTKQCFVEUJY-YSFYHYPLSA-N 0 3 446.640 -0.195 20 0 IBADHN O=C(NC[C@@H]1CN2CCN1CCC2)c1ccc(C(=O)NC[C@H]2CN3CCN2CCC3)s1 ZINC000670447442 1073253916 /nfs/dbraw/zinc/25/39/16/1073253916.db2.gz WJUGYGHYNZAUEJ-HDICACEKSA-N 0 3 446.621 -0.013 20 0 IBADHN O=C(NC[C@@H]1CN2CCN1CCC2)c1ccc(C(=O)NC[C@@H]2CN3CCN2CCC3)s1 ZINC000670447443 1073254029 /nfs/dbraw/zinc/25/40/29/1073254029.db2.gz WJUGYGHYNZAUEJ-QZTJIDSGSA-N 0 3 446.621 -0.013 20 0 IBADHN O=C(NC[C@H]1CN2CCN1CCC2)c1ccc(C(=O)NC[C@H]2CN3CCN2CCC3)s1 ZINC000670447444 1073253945 /nfs/dbraw/zinc/25/39/45/1073253945.db2.gz WJUGYGHYNZAUEJ-ROUUACIJSA-N 0 3 446.621 -0.013 20 0 IBADHN CNS(=O)(=O)Cc1ccc(CNC(=O)C(=O)N(CCN(C)C)C[C@H]2CCCO2)cc1 ZINC000670741393 1072982861 /nfs/dbraw/zinc/98/28/61/1072982861.db2.gz QWBSWDCFLNGNIH-GOSISDBHSA-N 0 3 440.566 -0.079 20 0 IBADHN CNS(=O)(=O)Cc1ccc(CNC(=O)C(=O)N(CCN(C)C)C[C@@H]2CCCO2)cc1 ZINC000670741394 1072982928 /nfs/dbraw/zinc/98/29/28/1072982928.db2.gz QWBSWDCFLNGNIH-SFHVURJKSA-N 0 3 440.566 -0.079 20 0 IBADHN CNS(=O)(=O)Cc1ccc(CNC(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)cc1 ZINC000670742160 1072983548 /nfs/dbraw/zinc/98/35/48/1072983548.db2.gz MYQFOSJSNKSCIG-UHFFFAOYSA-N 0 3 439.582 -0.506 20 0 IBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)NCc1ccc(N2CCOCC2)nc1 ZINC000670770930 1072991744 /nfs/dbraw/zinc/99/17/44/1072991744.db2.gz MRWHXBOBXIXUMT-GOSISDBHSA-N 0 3 446.552 -0.407 20 0 IBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)NCc1ccc(N2CCOCC2)nc1 ZINC000670770931 1072991773 /nfs/dbraw/zinc/99/17/73/1072991773.db2.gz MRWHXBOBXIXUMT-SFHVURJKSA-N 0 3 446.552 -0.407 20 0 IBADHN CN1CCN(c2ccc(CNC(=O)C(=O)N3CCN(C[C@@H]4CCOC4)CC3)cn2)CC1 ZINC000670786814 1072994821 /nfs/dbraw/zinc/99/48/21/1072994821.db2.gz OXBBIKOUURMPKT-IBGZPJMESA-N 0 3 430.553 -0.370 20 0 IBADHN CN1CCN(c2ccc(CNC(=O)C(=O)N3CCN(C[C@H]4CCOC4)CC3)cn2)CC1 ZINC000670786815 1072994635 /nfs/dbraw/zinc/99/46/35/1072994635.db2.gz OXBBIKOUURMPKT-LJQANCHMSA-N 0 3 430.553 -0.370 20 0 IBADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NCCNS(=O)(=O)c1ccccc1 ZINC000670838767 1073005910 /nfs/dbraw/zinc/00/59/10/1073005910.db2.gz CGFLEWKQBHGFNW-INIZCTEOSA-N 0 3 426.539 -0.350 20 0 IBADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NCCNS(=O)(=O)c1ccccc1 ZINC000670838768 1073005927 /nfs/dbraw/zinc/00/59/27/1073005927.db2.gz CGFLEWKQBHGFNW-MRXNPFEDSA-N 0 3 426.539 -0.350 20 0 IBADHN CCNC(=O)c1ccc(CNC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)cc1 ZINC000670889780 1073015195 /nfs/dbraw/zinc/01/51/95/1073015195.db2.gz ULBHJJWPWXBBCT-UHFFFAOYSA-N 0 3 429.521 -0.181 20 0 IBADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 ZINC000670889919 1073016074 /nfs/dbraw/zinc/01/60/74/1073016074.db2.gz GDJDMCAMRIWHJQ-GOSISDBHSA-N 0 3 429.521 -0.135 20 0 IBADHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 ZINC000670889920 1073016266 /nfs/dbraw/zinc/01/62/66/1073016266.db2.gz GDJDMCAMRIWHJQ-SFHVURJKSA-N 0 3 429.521 -0.135 20 0 IBADHN O=C(NCc1ccc(C(=O)N2CCNC(=O)C2)cc1)C(=O)N[C@@H]1CCN(CC2CC2)C1 ZINC000670890008 1073015586 /nfs/dbraw/zinc/01/55/86/1073015586.db2.gz CUQLNKQIXSBDOJ-GOSISDBHSA-N 0 3 427.505 -0.525 20 0 IBADHN O=C(NCc1ccc(C(=O)N2CCNC(=O)C2)cc1)C(=O)N[C@H]1CCN(CC2CC2)C1 ZINC000670890009 1073015882 /nfs/dbraw/zinc/01/58/82/1073015882.db2.gz CUQLNKQIXSBDOJ-SFHVURJKSA-N 0 3 427.505 -0.525 20 0 IBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)NCc1ccnc(N2CCOCC2)c1 ZINC000670891500 1073016242 /nfs/dbraw/zinc/01/62/42/1073016242.db2.gz HRXIXCLLDAEHCO-GOSISDBHSA-N 0 3 446.552 -0.407 20 0 IBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)NCc1ccnc(N2CCOCC2)c1 ZINC000670891501 1073016194 /nfs/dbraw/zinc/01/61/94/1073016194.db2.gz HRXIXCLLDAEHCO-SFHVURJKSA-N 0 3 446.552 -0.407 20 0 IBADHN COCCCNC(=O)[C@@H](C)N1CCN(C(=O)C(=O)NCCN2CCC(C)CC2)CC1 ZINC000670983444 1073021487 /nfs/dbraw/zinc/02/14/87/1073021487.db2.gz TXQLONJWPNPBCH-GOSISDBHSA-N 0 3 425.574 -0.480 20 0 IBADHN COCCCNC(=O)[C@H](C)N1CCN(C(=O)C(=O)NCCN2CCC(C)CC2)CC1 ZINC000670983445 1073021663 /nfs/dbraw/zinc/02/16/63/1073021663.db2.gz TXQLONJWPNPBCH-SFHVURJKSA-N 0 3 425.574 -0.480 20 0 IBADHN COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)N[C@@H](C)CN2CCCCC2)C1 ZINC000670997584 1073022582 /nfs/dbraw/zinc/02/25/82/1073022582.db2.gz FDHJUYZDYRJZSN-DLBZAZTESA-N 0 3 432.587 -0.124 20 0 IBADHN COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)N[C@H](C)CN2CCCCC2)C1 ZINC000670997585 1073022617 /nfs/dbraw/zinc/02/26/17/1073022617.db2.gz FDHJUYZDYRJZSN-IAGOWNOFSA-N 0 3 432.587 -0.124 20 0 IBADHN COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)C(=O)N[C@@H](C)CN2CCCCC2)C1 ZINC000670997586 1073022523 /nfs/dbraw/zinc/02/25/23/1073022523.db2.gz FDHJUYZDYRJZSN-IRXDYDNUSA-N 0 3 432.587 -0.124 20 0 IBADHN COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)C(=O)N[C@H](C)CN2CCCCC2)C1 ZINC000670997587 1073022494 /nfs/dbraw/zinc/02/24/94/1073022494.db2.gz FDHJUYZDYRJZSN-SJORKVTESA-N 0 3 432.587 -0.124 20 0 IBADHN O=C(NCCCN1CCN(Cc2ccccc2)CC1)C(=O)N1CCN2CCOC[C@@H]2C1 ZINC000671019477 1073025429 /nfs/dbraw/zinc/02/54/29/1073025429.db2.gz FCKUEXZGDHICCD-NRFANRHFSA-N 0 3 429.565 -0.147 20 0 IBADHN O=C(NCCCN1CCN(Cc2ccccc2)CC1)C(=O)N1CCN2CCOC[C@H]2C1 ZINC000671019478 1073025502 /nfs/dbraw/zinc/02/55/02/1073025502.db2.gz FCKUEXZGDHICCD-OAQYLSRUSA-N 0 3 429.565 -0.147 20 0 IBADHN NS(=O)(=O)[C@@H]1CCN(C(=O)C(=O)NCCCN2CCN(Cc3ccccc3)CC2)C1 ZINC000671019700 1073025857 /nfs/dbraw/zinc/02/58/57/1073025857.db2.gz YVSNRMDMDUJCLU-GOSISDBHSA-N 0 3 437.566 -0.800 20 0 IBADHN NS(=O)(=O)[C@H]1CCN(C(=O)C(=O)NCCCN2CCN(Cc3ccccc3)CC2)C1 ZINC000671019701 1073026063 /nfs/dbraw/zinc/02/60/63/1073026063.db2.gz YVSNRMDMDUJCLU-SFHVURJKSA-N 0 3 437.566 -0.800 20 0 IBADHN CNC(=O)CN1CCC(NC(=O)C(=O)NCCN2CCN(Cc3ccccc3)CC2)CC1 ZINC000671060195 1073034799 /nfs/dbraw/zinc/03/47/99/1073034799.db2.gz ZMSVTAARTZPDFU-UHFFFAOYSA-N 0 3 444.580 -0.753 20 0 IBADHN CNS(=O)(=O)Cc1ccc(CNC(=O)C(=O)NC[C@]2(N(C)C)CCSC2)cc1 ZINC000671071199 1073036545 /nfs/dbraw/zinc/03/65/45/1073036545.db2.gz LNAGIYJWTSSCCW-GOSISDBHSA-N 0 3 428.580 -0.095 20 0 IBADHN CNS(=O)(=O)Cc1ccc(CNC(=O)C(=O)NC[C@@]2(N(C)C)CCSC2)cc1 ZINC000671071200 1073036573 /nfs/dbraw/zinc/03/65/73/1073036573.db2.gz LNAGIYJWTSSCCW-SFHVURJKSA-N 0 3 428.580 -0.095 20 0 IBADHN COCc1noc(CN2CCN(C(=O)C(=O)NC[C@]3(N(C)C)CCSC3)CC2)n1 ZINC000671071396 1073036625 /nfs/dbraw/zinc/03/66/25/1073036625.db2.gz KDBJYIPDCIADPU-GOSISDBHSA-N 0 3 426.543 -0.586 20 0 IBADHN COCc1noc(CN2CCN(C(=O)C(=O)NC[C@@]3(N(C)C)CCSC3)CC2)n1 ZINC000671071397 1073036603 /nfs/dbraw/zinc/03/66/03/1073036603.db2.gz KDBJYIPDCIADPU-SFHVURJKSA-N 0 3 426.543 -0.586 20 0 IBADHN CN(C)[C@]1(CNC(=O)C(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)CCSC1 ZINC000671071744 1073036482 /nfs/dbraw/zinc/03/64/82/1073036482.db2.gz PVYIQDURDVTIAY-NRFANRHFSA-N 0 3 447.561 -0.572 20 0 IBADHN CN(C)[C@@]1(CNC(=O)C(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)CCSC1 ZINC000671071745 1073036564 /nfs/dbraw/zinc/03/65/64/1073036564.db2.gz PVYIQDURDVTIAY-OAQYLSRUSA-N 0 3 447.561 -0.572 20 0 IBADHN O=C(CN1CCCC1)N1CCN(C(=O)C(=O)NC[C@@H]2CCN(CC(F)(F)F)C2)CC1 ZINC000671121600 1073040264 /nfs/dbraw/zinc/04/02/64/1073040264.db2.gz MGWKSRYVVGJPTB-HNNXBMFYSA-N 0 3 433.475 -0.247 20 0 IBADHN O=C(CN1CCCC1)N1CCN(C(=O)C(=O)NC[C@H]2CCN(CC(F)(F)F)C2)CC1 ZINC000671121601 1073040188 /nfs/dbraw/zinc/04/01/88/1073040188.db2.gz MGWKSRYVVGJPTB-OAHLLOKOSA-N 0 3 433.475 -0.247 20 0 IBADHN C[C@@H](CNC(=O)C(=O)NCc1ccc(N(C)S(C)(=O)=O)cc1)CN1CCN(C)CC1 ZINC000671172012 1073044692 /nfs/dbraw/zinc/04/46/92/1073044692.db2.gz BZSCJYPZSZRUCP-INIZCTEOSA-N 0 3 439.582 -0.302 20 0 IBADHN C[C@H](CNC(=O)C(=O)NCc1ccc(N(C)S(C)(=O)=O)cc1)CN1CCN(C)CC1 ZINC000671172013 1073044659 /nfs/dbraw/zinc/04/46/59/1073044659.db2.gz BZSCJYPZSZRUCP-MRXNPFEDSA-N 0 3 439.582 -0.302 20 0 IBADHN C[C@@H](CNC(=O)C(=O)N[C@@H]1CCN(c2ccccc2C(N)=O)C1)CN1CCN(C)CC1 ZINC000671172835 1073044426 /nfs/dbraw/zinc/04/44/26/1073044426.db2.gz SWGGZXUGIBOCAH-DLBZAZTESA-N 0 3 430.553 -0.520 20 0 IBADHN C[C@H](CNC(=O)C(=O)N[C@@H]1CCN(c2ccccc2C(N)=O)C1)CN1CCN(C)CC1 ZINC000671172836 1073044531 /nfs/dbraw/zinc/04/45/31/1073044531.db2.gz SWGGZXUGIBOCAH-IAGOWNOFSA-N 0 3 430.553 -0.520 20 0 IBADHN C[C@@H](CNC(=O)C(=O)N[C@H]1CCN(c2ccccc2C(N)=O)C1)CN1CCN(C)CC1 ZINC000671172837 1073044729 /nfs/dbraw/zinc/04/47/29/1073044729.db2.gz SWGGZXUGIBOCAH-IRXDYDNUSA-N 0 3 430.553 -0.520 20 0 IBADHN C[C@H](CNC(=O)C(=O)N[C@H]1CCN(c2ccccc2C(N)=O)C1)CN1CCN(C)CC1 ZINC000671172839 1073044462 /nfs/dbraw/zinc/04/44/62/1073044462.db2.gz SWGGZXUGIBOCAH-SJORKVTESA-N 0 3 430.553 -0.520 20 0 IBADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N[C@H]2CCN(c3ccccc3C(N)=O)C2)CC1 ZINC000671173797 1073044498 /nfs/dbraw/zinc/04/44/98/1073044498.db2.gz FKIKPNBRFMNLIN-MSOLQXFVSA-N 0 3 444.580 -0.130 20 0 IBADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N[C@@H]2CCN(c3ccccc3C(N)=O)C2)CC1 ZINC000671173798 1073044794 /nfs/dbraw/zinc/04/47/94/1073044794.db2.gz FKIKPNBRFMNLIN-QZTJIDSGSA-N 0 3 444.580 -0.130 20 0 IBADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N[C@H]2CCN(c3ccccc3C(N)=O)C2)CC1 ZINC000671173799 1073044610 /nfs/dbraw/zinc/04/46/10/1073044610.db2.gz FKIKPNBRFMNLIN-ROUUACIJSA-N 0 3 444.580 -0.130 20 0 IBADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N[C@@H]2CCN(c3ccccc3C(N)=O)C2)CC1 ZINC000671173800 1073044560 /nfs/dbraw/zinc/04/45/60/1073044560.db2.gz FKIKPNBRFMNLIN-ZWKOTPCHSA-N 0 3 444.580 -0.130 20 0 IBADHN Cc1ccc(CN(CCN(C)C)C(=O)C(=O)NCCN2CCN(S(C)(=O)=O)CC2)o1 ZINC000671356708 1073056733 /nfs/dbraw/zinc/05/67/33/1073056733.db2.gz POIHKHPLIKZVSN-UHFFFAOYSA-N 0 3 443.570 -0.828 20 0 IBADHN CS(=O)(=O)N1CCN(CCNC(=O)C(=O)N2CCCN(C3CCCC3)CC2)CC1 ZINC000671356959 1073055934 /nfs/dbraw/zinc/05/59/34/1073055934.db2.gz SWUGFMBENQYMAH-UHFFFAOYSA-N 0 3 429.587 -0.843 20 0 IBADHN CS(=O)(=O)N1CCN(CCNC(=O)C(=O)N2CCC[C@H]2CN2CCCCC2)CC1 ZINC000671358288 1073058811 /nfs/dbraw/zinc/05/88/11/1073058811.db2.gz LWYNHDCWGVTBTJ-KRWDZBQOSA-N 0 3 429.587 -0.843 20 0 IBADHN CS(=O)(=O)N1CCN(CCNC(=O)C(=O)N2CCC[C@@H]2CN2CCCCC2)CC1 ZINC000671358290 1073134248 /nfs/dbraw/zinc/13/42/48/1073134248.db2.gz LWYNHDCWGVTBTJ-QGZVFWFLSA-N 0 3 429.587 -0.843 20 0 IBADHN CN(C)CCN(Cc1cccs1)C(=O)C(=O)NCCN1CCN(S(C)(=O)=O)CC1 ZINC000671358933 1073061457 /nfs/dbraw/zinc/06/14/57/1073061457.db2.gz IJLREZGWZCKMEX-UHFFFAOYSA-N 0 3 445.611 -0.668 20 0 IBADHN C[C@@H](CNC(=O)C(=O)NCCN1CCN(S(C)(=O)=O)CC1)N(C)Cc1ccccc1 ZINC000671359595 1073063463 /nfs/dbraw/zinc/06/34/63/1073063463.db2.gz VQUGGAJSCXQNFY-KRWDZBQOSA-N 0 3 439.582 -0.684 20 0 IBADHN C[C@H](CNC(=O)C(=O)NCCN1CCN(S(C)(=O)=O)CC1)N(C)Cc1ccccc1 ZINC000671359596 1073063162 /nfs/dbraw/zinc/06/31/62/1073063162.db2.gz VQUGGAJSCXQNFY-QGZVFWFLSA-N 0 3 439.582 -0.684 20 0 IBADHN COCCN1CCC(NC(=O)C(=O)NCc2ccc(N(C)S(C)(=O)=O)cc2)CC1 ZINC000671374262 1073066125 /nfs/dbraw/zinc/06/61/25/1073066125.db2.gz KYBKVYCFNGAGPI-UHFFFAOYSA-N 0 3 426.539 -0.074 20 0 IBADHN NC(=O)[C@@H]1CCC[N@H+]1C1CCN(C(=O)CNS(=O)(=O)c2c[n-]c3ncccc23)CC1 ZINC000671686123 1073106387 /nfs/dbraw/zinc/10/63/87/1073106387.db2.gz OKCRJZFIXUVIMA-HNNXBMFYSA-N 0 3 434.522 -0.218 20 0 IBADHN NC(=O)[C@@H]1CCC[N@@H+]1C1CCN(C(=O)CNS(=O)(=O)c2c[n-]c3ncccc23)CC1 ZINC000671686123 1073106384 /nfs/dbraw/zinc/10/63/84/1073106384.db2.gz OKCRJZFIXUVIMA-HNNXBMFYSA-N 0 3 434.522 -0.218 20 0 IBADHN NC(=O)[C@H]1CCC[N@H+]1C1CCN(C(=O)CNS(=O)(=O)c2c[n-]c3ncccc23)CC1 ZINC000671686124 1073106206 /nfs/dbraw/zinc/10/62/06/1073106206.db2.gz OKCRJZFIXUVIMA-OAHLLOKOSA-N 0 3 434.522 -0.218 20 0 IBADHN NC(=O)[C@H]1CCC[N@@H+]1C1CCN(C(=O)CNS(=O)(=O)c2c[n-]c3ncccc23)CC1 ZINC000671686124 1073106198 /nfs/dbraw/zinc/10/61/98/1073106198.db2.gz OKCRJZFIXUVIMA-OAHLLOKOSA-N 0 3 434.522 -0.218 20 0 IBADHN CN(CCCN1CCN(C)CC1)C(=O)C(=O)NCC(=O)N1CCN(c2ccccc2)CC1 ZINC000671948930 1073130953 /nfs/dbraw/zinc/13/09/53/1073130953.db2.gz ZBCRLADINUGPSL-UHFFFAOYSA-N 0 3 444.580 -0.453 20 0 IBADHN COc1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)N(C)C[C@@H]2C[C@H](OC)CN2C)cc1 ZINC000671960298 1073130307 /nfs/dbraw/zinc/13/03/07/1073130307.db2.gz NRYXWRYCEYINBI-HIRMHNASSA-N 0 3 441.550 -0.003 20 0 IBADHN COc1ccc(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)N(C)C[C@@H]2C[C@H](OC)CN2C)cc1 ZINC000671960299 1073130192 /nfs/dbraw/zinc/13/01/92/1073130192.db2.gz NRYXWRYCEYINBI-MRHSLFKSSA-N 0 3 441.550 -0.003 20 0 IBADHN O=C(CCNC(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1)N1CCN(c2ccccn2)CC1 ZINC000671995113 1073133563 /nfs/dbraw/zinc/13/35/63/1073133563.db2.gz AIWIGYBHDZWUEJ-GOSISDBHSA-N 0 3 428.537 -0.163 20 0 IBADHN O=C(CCNC(=O)C(=O)N[C@H]1CCN(CC2CC2)C1)N1CCN(c2ccccn2)CC1 ZINC000671995117 1073133688 /nfs/dbraw/zinc/13/36/88/1073133688.db2.gz AIWIGYBHDZWUEJ-SFHVURJKSA-N 0 3 428.537 -0.163 20 0 IBADHN O=C(CCNC(=O)C(=O)N[C@H]1CCN(CC2CC2)C1)N1CCN(c2ncccn2)CC1 ZINC000672061745 1073143754 /nfs/dbraw/zinc/14/37/54/1073143754.db2.gz DSUSCXKHBUJMJR-KRWDZBQOSA-N 0 3 429.525 -0.768 20 0 IBADHN O=C(CCNC(=O)C(=O)N[C@@H]1CCN(CC2CC2)C1)N1CCN(c2ncccn2)CC1 ZINC000672061746 1073143869 /nfs/dbraw/zinc/14/38/69/1073143869.db2.gz DSUSCXKHBUJMJR-QGZVFWFLSA-N 0 3 429.525 -0.768 20 0 IBADHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 ZINC000672061903 1073143427 /nfs/dbraw/zinc/14/34/27/1073143427.db2.gz IRDXRXRRXCWWME-KRWDZBQOSA-N 0 3 431.541 -0.378 20 0 IBADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 ZINC000672061904 1073143397 /nfs/dbraw/zinc/14/33/97/1073143397.db2.gz IRDXRXRRXCWWME-QGZVFWFLSA-N 0 3 431.541 -0.378 20 0 IBADHN Cc1nccnc1N1CCN(C(=O)C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)CC1 ZINC000672110803 1073149963 /nfs/dbraw/zinc/14/99/63/1073149963.db2.gz OWPVTTGNGDNWGP-KRWDZBQOSA-N 0 3 431.541 -0.507 20 0 IBADHN Cc1nccnc1N1CCN(C(=O)C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC000672110806 1073150090 /nfs/dbraw/zinc/15/00/90/1073150090.db2.gz OWPVTTGNGDNWGP-QGZVFWFLSA-N 0 3 431.541 -0.507 20 0 IBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)N1CCN(C(=O)NC(C)(C)C)CC1 ZINC000672110984 1073150073 /nfs/dbraw/zinc/15/00/73/1073150073.db2.gz RQNFOZSEKZIIMT-INIZCTEOSA-N 0 3 438.573 -0.302 20 0 IBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)N1CCN(C(=O)NC(C)(C)C)CC1 ZINC000672110985 1073150053 /nfs/dbraw/zinc/15/00/53/1073150053.db2.gz RQNFOZSEKZIIMT-MRXNPFEDSA-N 0 3 438.573 -0.302 20 0 IBADHN COCCNC(=O)C1CCN(C(=O)C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)CC1 ZINC000672111062 1073150452 /nfs/dbraw/zinc/15/04/52/1073150452.db2.gz MIIFKBXUWWYQAE-KRWDZBQOSA-N 0 3 439.557 -0.954 20 0 IBADHN COCCNC(=O)C1CCN(C(=O)C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC000672111063 1073150440 /nfs/dbraw/zinc/15/04/40/1073150440.db2.gz MIIFKBXUWWYQAE-QGZVFWFLSA-N 0 3 439.557 -0.954 20 0 IBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)N1CCN(c2ccccc2)C(=O)C1 ZINC000672111276 1073151073 /nfs/dbraw/zinc/15/10/73/1073151073.db2.gz ASLQZLLMDQSBLQ-GOSISDBHSA-N 0 3 429.521 -0.079 20 0 IBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)N1CCN(c2ccccc2)C(=O)C1 ZINC000672111277 1073150945 /nfs/dbraw/zinc/15/09/45/1073150945.db2.gz ASLQZLLMDQSBLQ-SFHVURJKSA-N 0 3 429.521 -0.079 20 0 IBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)N[C@H]1CCCC[C@@H]1N1CCOCC1 ZINC000672111365 1073151046 /nfs/dbraw/zinc/15/10/46/1073151046.db2.gz YRONVFMDLXXYNK-FHWLQOOXSA-N 0 3 437.585 -0.195 20 0 IBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)N[C@H]1CCCC[C@H]1N1CCOCC1 ZINC000672111366 1073151033 /nfs/dbraw/zinc/15/10/33/1073151033.db2.gz YRONVFMDLXXYNK-OTWHNJEPSA-N 0 3 437.585 -0.195 20 0 IBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)N[C@@H]1CCCC[C@H]1N1CCOCC1 ZINC000672111367 1073151111 /nfs/dbraw/zinc/15/11/11/1073151111.db2.gz YRONVFMDLXXYNK-QRVBRYPASA-N 0 3 437.585 -0.195 20 0 IBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)N[C@@H]1CCCC[C@@H]1N1CCOCC1 ZINC000672111368 1073151120 /nfs/dbraw/zinc/15/11/20/1073151120.db2.gz YRONVFMDLXXYNK-QYZOEREBSA-N 0 3 437.585 -0.195 20 0 IBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)N[C@@H]1CCN(C(=O)C2CCCC2)C1 ZINC000672111373 1073151020 /nfs/dbraw/zinc/15/10/20/1073151020.db2.gz ZYZRNYZNWVFKIH-MSOLQXFVSA-N 0 3 435.569 -0.047 20 0 IBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)N[C@@H]1CCN(C(=O)C2CCCC2)C1 ZINC000672111374 1073150865 /nfs/dbraw/zinc/15/08/65/1073150865.db2.gz ZYZRNYZNWVFKIH-QZTJIDSGSA-N 0 3 435.569 -0.047 20 0 IBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)N[C@H]1CCN(C(=O)C2CCCC2)C1 ZINC000672111375 1073150993 /nfs/dbraw/zinc/15/09/93/1073150993.db2.gz ZYZRNYZNWVFKIH-ROUUACIJSA-N 0 3 435.569 -0.047 20 0 IBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)N[C@H]1CCN(C(=O)C2CCCC2)C1 ZINC000672111376 1073150960 /nfs/dbraw/zinc/15/09/60/1073150960.db2.gz ZYZRNYZNWVFKIH-ZWKOTPCHSA-N 0 3 435.569 -0.047 20 0 IBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)NCc1nncn1-c1ccccc1 ZINC000672111535 1073150393 /nfs/dbraw/zinc/15/03/93/1073150393.db2.gz XDNBEMPJCFHSCM-KRWDZBQOSA-N 0 3 427.509 -0.058 20 0 IBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)NCc1nncn1-c1ccccc1 ZINC000672111536 1073150466 /nfs/dbraw/zinc/15/04/66/1073150466.db2.gz XDNBEMPJCFHSCM-QGZVFWFLSA-N 0 3 427.509 -0.058 20 0 IBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)N1CCC(c2nnc3n2CCC3)CC1 ZINC000672111636 1073150307 /nfs/dbraw/zinc/15/03/07/1073150307.db2.gz RFZGIQORZOVVIL-KRWDZBQOSA-N 0 3 445.568 -0.011 20 0 IBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)N1CCC(c2nnc3n2CCC3)CC1 ZINC000672111637 1073150297 /nfs/dbraw/zinc/15/02/97/1073150297.db2.gz RFZGIQORZOVVIL-QGZVFWFLSA-N 0 3 445.568 -0.011 20 0 IBADHN COc1cccc2c1OC[C@@H](NC(=O)C(=O)N1CCN(C(=O)[C@H]3CCCN3C)CC1)C2 ZINC000672265543 1073161815 /nfs/dbraw/zinc/16/18/15/1073161815.db2.gz QSMMNTCOUHAOIQ-DLBZAZTESA-N 0 3 430.505 -0.120 20 0 IBADHN COc1cccc2c1OC[C@H](NC(=O)C(=O)N1CCN(C(=O)[C@H]3CCCN3C)CC1)C2 ZINC000672265544 1073161879 /nfs/dbraw/zinc/16/18/79/1073161879.db2.gz QSMMNTCOUHAOIQ-IAGOWNOFSA-N 0 3 430.505 -0.120 20 0 IBADHN COc1cccc2c1OC[C@@H](NC(=O)C(=O)N1CCN(C(=O)[C@@H]3CCCN3C)CC1)C2 ZINC000672265545 1073161848 /nfs/dbraw/zinc/16/18/48/1073161848.db2.gz QSMMNTCOUHAOIQ-IRXDYDNUSA-N 0 3 430.505 -0.120 20 0 IBADHN COc1cccc2c1OC[C@H](NC(=O)C(=O)N1CCN(C(=O)[C@@H]3CCCN3C)CC1)C2 ZINC000672265546 1073161784 /nfs/dbraw/zinc/16/17/84/1073161784.db2.gz QSMMNTCOUHAOIQ-SJORKVTESA-N 0 3 430.505 -0.120 20 0 IBADHN COc1cccc2c1OC[C@@H](NC(=O)C(=O)N1CCN(C(=O)CN3CCCC3)CC1)C2 ZINC000672270723 1073162633 /nfs/dbraw/zinc/16/26/33/1073162633.db2.gz HACDYKGPJHRVJZ-KRWDZBQOSA-N 0 3 430.505 -0.119 20 0 IBADHN COc1cccc2c1OC[C@H](NC(=O)C(=O)N1CCN(C(=O)CN3CCCC3)CC1)C2 ZINC000672270724 1073162684 /nfs/dbraw/zinc/16/26/84/1073162684.db2.gz HACDYKGPJHRVJZ-QGZVFWFLSA-N 0 3 430.505 -0.119 20 0 IBADHN O=C(N[C@@H]1CCN(CC2CC2)C1)C(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 ZINC000672304234 1073163709 /nfs/dbraw/zinc/16/37/09/1073163709.db2.gz NOUCZMODFYLENK-GOSISDBHSA-N 0 3 443.552 -0.438 20 0 IBADHN O=C(N[C@H]1CCN(CC2CC2)C1)C(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 ZINC000672304235 1073163626 /nfs/dbraw/zinc/16/36/26/1073163626.db2.gz NOUCZMODFYLENK-SFHVURJKSA-N 0 3 443.552 -0.438 20 0 IBADHN COCCNS(=O)(=O)c1cccc(CNC(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)c1 ZINC000672305464 1073164069 /nfs/dbraw/zinc/16/40/69/1073164069.db2.gz QICBBXGCBOTNBB-KRWDZBQOSA-N 0 3 438.550 -0.172 20 0 IBADHN COCCNS(=O)(=O)c1cccc(CNC(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)c1 ZINC000672305465 1073164181 /nfs/dbraw/zinc/16/41/81/1073164181.db2.gz QICBBXGCBOTNBB-QGZVFWFLSA-N 0 3 438.550 -0.172 20 0 IBADHN O=C(N[C@H]1CCN(CC2CC2)C1)C(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000672305513 1073163933 /nfs/dbraw/zinc/16/39/33/1073163933.db2.gz RRRXFGBXRHODTF-HNNXBMFYSA-N 0 3 425.511 -0.751 20 0 IBADHN O=C(N[C@@H]1CCN(CC2CC2)C1)C(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000672305514 1073164148 /nfs/dbraw/zinc/16/41/48/1073164148.db2.gz RRRXFGBXRHODTF-OAHLLOKOSA-N 0 3 425.511 -0.751 20 0 IBADHN COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)C1 ZINC000672307058 1073164155 /nfs/dbraw/zinc/16/41/55/1073164155.db2.gz JZBNEYQQMXZAKC-DLBZAZTESA-N 0 3 430.571 -0.514 20 0 IBADHN COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)C1 ZINC000672307059 1073164194 /nfs/dbraw/zinc/16/41/94/1073164194.db2.gz JZBNEYQQMXZAKC-IAGOWNOFSA-N 0 3 430.571 -0.514 20 0 IBADHN COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)C1 ZINC000672307060 1073164135 /nfs/dbraw/zinc/16/41/35/1073164135.db2.gz JZBNEYQQMXZAKC-IRXDYDNUSA-N 0 3 430.571 -0.514 20 0 IBADHN COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)C1 ZINC000672307061 1073163989 /nfs/dbraw/zinc/16/39/89/1073163989.db2.gz JZBNEYQQMXZAKC-SJORKVTESA-N 0 3 430.571 -0.514 20 0 IBADHN CC(C)OCCS(=O)(=O)N1CCN(C(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)CC1 ZINC000672308064 1073163952 /nfs/dbraw/zinc/16/39/52/1073163952.db2.gz XTYHERZEWGPYCB-KRWDZBQOSA-N 0 3 430.571 -0.514 20 0 IBADHN CC(C)OCCS(=O)(=O)N1CCN(C(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)CC1 ZINC000672308065 1073164167 /nfs/dbraw/zinc/16/41/67/1073164167.db2.gz XTYHERZEWGPYCB-QGZVFWFLSA-N 0 3 430.571 -0.514 20 0 IBADHN Cn1cc(-c2nc([C@@H]3COCCN3C(=O)C(=O)N[C@@H]3CCN(CC4CC4)C3)no2)cn1 ZINC000672309086 1073164124 /nfs/dbraw/zinc/16/41/24/1073164124.db2.gz KGIKGQSVRYADIG-CVEARBPZSA-N 0 3 429.481 -0.030 20 0 IBADHN Cn1cc(-c2nc([C@@H]3COCCN3C(=O)C(=O)N[C@H]3CCN(CC4CC4)C3)no2)cn1 ZINC000672309091 1073164089 /nfs/dbraw/zinc/16/40/89/1073164089.db2.gz KGIKGQSVRYADIG-HOTGVXAUSA-N 0 3 429.481 -0.030 20 0 IBADHN Cn1cc(-c2nc([C@H]3COCCN3C(=O)C(=O)N[C@@H]3CCN(CC4CC4)C3)no2)cn1 ZINC000672309094 1073164049 /nfs/dbraw/zinc/16/40/49/1073164049.db2.gz KGIKGQSVRYADIG-HZPDHXFCSA-N 0 3 429.481 -0.030 20 0 IBADHN Cn1cc(-c2nc([C@H]3COCCN3C(=O)C(=O)N[C@H]3CCN(CC4CC4)C3)no2)cn1 ZINC000672309095 1073164203 /nfs/dbraw/zinc/16/42/03/1073164203.db2.gz KGIKGQSVRYADIG-JKSUJKDBSA-N 0 3 429.481 -0.030 20 0 IBADHN Cc1nc(S(=O)(=O)N2CCN(C(=O)C(=O)N[C@H]3CCN(CC4CC4)C3)CC2)cn1C ZINC000672309520 1073164716 /nfs/dbraw/zinc/16/47/16/1073164716.db2.gz VPKDHKDHJWZYHP-INIZCTEOSA-N 0 3 438.554 -0.838 20 0 IBADHN Cc1nc(S(=O)(=O)N2CCN(C(=O)C(=O)N[C@@H]3CCN(CC4CC4)C3)CC2)cn1C ZINC000672309521 1073164662 /nfs/dbraw/zinc/16/46/62/1073164662.db2.gz VPKDHKDHJWZYHP-MRXNPFEDSA-N 0 3 438.554 -0.838 20 0 IBADHN O=C(N[C@H]1CCN(CC2CC2)C1)C(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000672309631 1073164024 /nfs/dbraw/zinc/16/40/24/1073164024.db2.gz OXRGPICMRIFSJB-DLBZAZTESA-N 0 3 428.555 -0.760 20 0 IBADHN O=C(N[C@@H]1CCN(CC2CC2)C1)C(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000672309632 1073164101 /nfs/dbraw/zinc/16/41/01/1073164101.db2.gz OXRGPICMRIFSJB-IAGOWNOFSA-N 0 3 428.555 -0.760 20 0 IBADHN O=C(N[C@H]1CCN(CC2CC2)C1)C(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000672309633 1073164113 /nfs/dbraw/zinc/16/41/13/1073164113.db2.gz OXRGPICMRIFSJB-IRXDYDNUSA-N 0 3 428.555 -0.760 20 0 IBADHN O=C(N[C@@H]1CCN(CC2CC2)C1)C(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000672309634 1073164644 /nfs/dbraw/zinc/16/46/44/1073164644.db2.gz OXRGPICMRIFSJB-SJORKVTESA-N 0 3 428.555 -0.760 20 0 IBADHN Cc1nc(S(=O)(=O)N2CCN(C(=O)C(=O)N[C@H]3CCN(CC4CC4)C3)CC2)cs1 ZINC000672311909 1073164602 /nfs/dbraw/zinc/16/46/02/1073164602.db2.gz VAXPQWJNEJZWSP-HNNXBMFYSA-N 0 3 441.579 -0.115 20 0 IBADHN Cc1nc(S(=O)(=O)N2CCN(C(=O)C(=O)N[C@@H]3CCN(CC4CC4)C3)CC2)cs1 ZINC000672311910 1073164636 /nfs/dbraw/zinc/16/46/36/1073164636.db2.gz VAXPQWJNEJZWSP-OAHLLOKOSA-N 0 3 441.579 -0.115 20 0 IBADHN COCCNC(=O)C1CCN(C(=O)C(=O)NCC(C)(C)N2CCC(OC)CC2)CC1 ZINC000672442411 1073168900 /nfs/dbraw/zinc/16/89/00/1073168900.db2.gz AWBVKQKTOKUCDY-UHFFFAOYSA-N 0 3 426.558 -0.007 20 0 IBADHN CN(CCCN1CCN(C)CC1)C(=O)C(=O)N[C@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000672455683 1073171178 /nfs/dbraw/zinc/17/11/78/1073171178.db2.gz MPSHUKGCQATWQG-KRWDZBQOSA-N 0 3 430.553 -0.424 20 0 IBADHN CN(CCCN1CCN(C)CC1)C(=O)C(=O)N[C@@H]1CCN(c2ccccc2C(N)=O)C1 ZINC000672455684 1073171129 /nfs/dbraw/zinc/17/11/29/1073171129.db2.gz MPSHUKGCQATWQG-QGZVFWFLSA-N 0 3 430.553 -0.424 20 0 IBADHN CN1CCN(CCNC(=O)C(=O)N[C@H]2CCN(c3ccccc3C(N)=O)C2)CC1(C)C ZINC000672457093 1073171194 /nfs/dbraw/zinc/17/11/94/1073171194.db2.gz PJSBNJNQCFHMGD-INIZCTEOSA-N 0 3 430.553 -0.377 20 0 IBADHN CN1CCN(CCNC(=O)C(=O)N[C@@H]2CCN(c3ccccc3C(N)=O)C2)CC1(C)C ZINC000672457100 1073171431 /nfs/dbraw/zinc/17/14/31/1073171431.db2.gz PJSBNJNQCFHMGD-MRXNPFEDSA-N 0 3 430.553 -0.377 20 0 IBADHN CN(CCN(CCN1CCCC1)C(=O)[C@@H]1COCCN1C)C(=O)[C@H]1COCCN1C ZINC000672466550 1073172269 /nfs/dbraw/zinc/17/22/69/1073172269.db2.gz OAMOGJXOVBOXTQ-MOPGFXCFSA-N 0 3 425.574 -0.970 20 0 IBADHN CN(CCN(CCN1CCCC1)C(=O)[C@@H]1COCCN1C)C(=O)[C@@H]1COCCN1C ZINC000672466551 1073172339 /nfs/dbraw/zinc/17/23/39/1073172339.db2.gz OAMOGJXOVBOXTQ-OALUTQOASA-N 0 3 425.574 -0.970 20 0 IBADHN CN(CCN(CCN1CCCC1)C(=O)[C@H]1COCCN1C)C(=O)[C@@H]1COCCN1C ZINC000672466552 1073172714 /nfs/dbraw/zinc/17/27/14/1073172714.db2.gz OAMOGJXOVBOXTQ-RBUKOAKNSA-N 0 3 425.574 -0.970 20 0 IBADHN CN(CCN(CCN1CCCC1)C(=O)[C@H]1COCCN1C)C(=O)[C@H]1COCCN1C ZINC000672466553 1073172682 /nfs/dbraw/zinc/17/26/82/1073172682.db2.gz OAMOGJXOVBOXTQ-RTBURBONSA-N 0 3 425.574 -0.970 20 0 IBADHN CN(CCN(CCN1CCCC1)C(=O)[C@@H]1CN(C)CCO1)C(=O)[C@H]1CN(C)CCO1 ZINC000672466870 1073172242 /nfs/dbraw/zinc/17/22/42/1073172242.db2.gz IKOYWMYMDCGLGE-MOPGFXCFSA-N 0 3 425.574 -0.970 20 0 IBADHN CN(CCN(CCN1CCCC1)C(=O)[C@@H]1CN(C)CCO1)C(=O)[C@@H]1CN(C)CCO1 ZINC000672466871 1073172287 /nfs/dbraw/zinc/17/22/87/1073172287.db2.gz IKOYWMYMDCGLGE-OALUTQOASA-N 0 3 425.574 -0.970 20 0 IBADHN CN(CCN(CCN1CCCC1)C(=O)[C@H]1CN(C)CCO1)C(=O)[C@@H]1CN(C)CCO1 ZINC000672466872 1073172312 /nfs/dbraw/zinc/17/23/12/1073172312.db2.gz IKOYWMYMDCGLGE-RBUKOAKNSA-N 0 3 425.574 -0.970 20 0 IBADHN CN(CCN(CCN1CCCC1)C(=O)[C@H]1CN(C)CCO1)C(=O)[C@H]1CN(C)CCO1 ZINC000672466873 1073172304 /nfs/dbraw/zinc/17/23/04/1073172304.db2.gz IKOYWMYMDCGLGE-RTBURBONSA-N 0 3 425.574 -0.970 20 0 IBADHN CN(CCN(CCN1CCCC1)C(=O)c1c[nH]c(C(N)=O)c1)C(=O)c1c[nH]c(C(N)=O)c1 ZINC000672466875 1073172350 /nfs/dbraw/zinc/17/23/50/1073172350.db2.gz IPNJXNCMWHAFSL-UHFFFAOYSA-N 0 3 443.508 -0.149 20 0 IBADHN CN(CCCN1CCN(C)CC1)C(=O)C(=O)NCc1ccc(N(C)S(C)(=O)=O)cc1 ZINC000672509777 1073173089 /nfs/dbraw/zinc/17/30/89/1073173089.db2.gz PZDKJBGPUSCDGE-UHFFFAOYSA-N 0 3 439.582 -0.206 20 0 IBADHN CN(c1ccc(CNC(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)cc1)S(C)(=O)=O ZINC000672510037 1073173137 /nfs/dbraw/zinc/17/31/37/1073173137.db2.gz TWUYXLBCTVZLSS-UHFFFAOYSA-N 0 3 439.582 -0.159 20 0 IBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NCc2cccc(-n3cncn3)c2)CC1 ZINC000672551470 1073175777 /nfs/dbraw/zinc/17/57/77/1073175777.db2.gz XFDUAXHZYOQCQD-UHFFFAOYSA-N 0 3 427.509 -0.104 20 0 IBADHN CS(=O)(=O)N1CC(CNC(=O)C(=O)NCC2(N3CCSCC3)CCCCC2)C1 ZINC000672635052 1073177641 /nfs/dbraw/zinc/17/76/41/1073177641.db2.gz QOCFYXDUPFBTIM-UHFFFAOYSA-N 0 3 432.612 -0.138 20 0 IBADHN CC(C)(C)C(=O)N[C@@H]1CCCN(C(=O)C(=O)NCCCCN2CCN(CCO)CC2)C1 ZINC000672650428 1073182705 /nfs/dbraw/zinc/18/27/05/1073182705.db2.gz AUKHDLBPEXYQDD-GOSISDBHSA-N 0 3 439.601 -0.354 20 0 IBADHN CC(C)(C)C(=O)N[C@H]1CCCN(C(=O)C(=O)NCCCCN2CCN(CCO)CC2)C1 ZINC000672650429 1073182615 /nfs/dbraw/zinc/18/26/15/1073182615.db2.gz AUKHDLBPEXYQDD-SFHVURJKSA-N 0 3 439.601 -0.354 20 0 IBADHN O=C(NCCCCN1CCN(CCO)CC1)C(=O)N1CCCN(CC(F)(F)F)CC1 ZINC000672650431 1073182713 /nfs/dbraw/zinc/18/27/13/1073182713.db2.gz CJXDCXNTKPDSQO-UHFFFAOYSA-N 0 3 437.507 -0.411 20 0 IBADHN C[C@H]1C[C@@H](NC(=O)C(=O)NCCCCN2CCN(CCO)CC2)C(=O)N1c1ccccc1 ZINC000672650467 1073182638 /nfs/dbraw/zinc/18/26/38/1073182638.db2.gz VRLOBAPCQIYILA-AZUAARDMSA-N 0 3 445.564 -0.197 20 0 IBADHN C[C@H]1C[C@H](NC(=O)C(=O)NCCCCN2CCN(CCO)CC2)C(=O)N1c1ccccc1 ZINC000672650474 1073182668 /nfs/dbraw/zinc/18/26/68/1073182668.db2.gz VRLOBAPCQIYILA-ICSRJNTNSA-N 0 3 445.564 -0.197 20 0 IBADHN C[C@@H]1C[C@H](NC(=O)C(=O)NCCCCN2CCN(CCO)CC2)C(=O)N1c1ccccc1 ZINC000672650475 1073182746 /nfs/dbraw/zinc/18/27/46/1073182746.db2.gz VRLOBAPCQIYILA-QUCCMNQESA-N 0 3 445.564 -0.197 20 0 IBADHN C[C@@H]1C[C@@H](NC(=O)C(=O)NCCCCN2CCN(CCO)CC2)C(=O)N1c1ccccc1 ZINC000672650476 1073182676 /nfs/dbraw/zinc/18/26/76/1073182676.db2.gz VRLOBAPCQIYILA-UYAOXDASSA-N 0 3 445.564 -0.197 20 0 IBADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 ZINC000672689891 1073184308 /nfs/dbraw/zinc/18/43/08/1073184308.db2.gz FQARPIGDCCJZHK-GOSISDBHSA-N 0 3 445.568 -0.048 20 0 IBADHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1 ZINC000672689892 1073184260 /nfs/dbraw/zinc/18/42/60/1073184260.db2.gz FQARPIGDCCJZHK-SFHVURJKSA-N 0 3 445.568 -0.048 20 0 IBADHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000672692675 1073184329 /nfs/dbraw/zinc/18/43/29/1073184329.db2.gz IBCWCWUCRWFCIP-HNNXBMFYSA-N 0 3 427.527 -0.361 20 0 IBADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC000672692676 1073184076 /nfs/dbraw/zinc/18/40/76/1073184076.db2.gz IBCWCWUCRWFCIP-OAHLLOKOSA-N 0 3 427.527 -0.361 20 0 IBADHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)N1CCN(S(=O)(=O)CCOC(C)C)CC1 ZINC000672695020 1073183114 /nfs/dbraw/zinc/18/31/14/1073183114.db2.gz DGTJKEFKBLCBML-KRWDZBQOSA-N 0 3 432.587 -0.124 20 0 IBADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CCN(S(=O)(=O)CCOC(C)C)CC1 ZINC000672695022 1073183226 /nfs/dbraw/zinc/18/32/26/1073183226.db2.gz DGTJKEFKBLCBML-QGZVFWFLSA-N 0 3 432.587 -0.124 20 0 IBADHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 ZINC000672695170 1073183148 /nfs/dbraw/zinc/18/31/48/1073183148.db2.gz MACWICYFUCLIKE-DLBZAZTESA-N 0 3 432.587 -0.124 20 0 IBADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CCC[C@@H](S(=O)(=O)N(C)CCOC)C1 ZINC000672695171 1073183204 /nfs/dbraw/zinc/18/32/04/1073183204.db2.gz MACWICYFUCLIKE-IAGOWNOFSA-N 0 3 432.587 -0.124 20 0 IBADHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 ZINC000672695172 1073183141 /nfs/dbraw/zinc/18/31/41/1073183141.db2.gz MACWICYFUCLIKE-IRXDYDNUSA-N 0 3 432.587 -0.124 20 0 IBADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CCC[C@H](S(=O)(=O)N(C)CCOC)C1 ZINC000672695173 1073183139 /nfs/dbraw/zinc/18/31/39/1073183139.db2.gz MACWICYFUCLIKE-SJORKVTESA-N 0 3 432.587 -0.124 20 0 IBADHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 ZINC000672695979 1073183670 /nfs/dbraw/zinc/18/36/70/1073183670.db2.gz PYPLCNPQIRNUAG-INIZCTEOSA-N 0 3 440.570 -0.448 20 0 IBADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CCN(S(=O)(=O)c2cn(C)c(C)n2)CC1 ZINC000672695980 1073183664 /nfs/dbraw/zinc/18/36/64/1073183664.db2.gz PYPLCNPQIRNUAG-MRXNPFEDSA-N 0 3 440.570 -0.448 20 0 IBADHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000672696517 1073183627 /nfs/dbraw/zinc/18/36/27/1073183627.db2.gz YDCGMOUSUSWMBF-DLBZAZTESA-N 0 3 430.571 -0.370 20 0 IBADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000672696519 1073183678 /nfs/dbraw/zinc/18/36/78/1073183678.db2.gz YDCGMOUSUSWMBF-IAGOWNOFSA-N 0 3 430.571 -0.370 20 0 IBADHN CC[C@@H](CN1CCCC1)NC(=O)C(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000672696522 1073183724 /nfs/dbraw/zinc/18/37/24/1073183724.db2.gz YDCGMOUSUSWMBF-IRXDYDNUSA-N 0 3 430.571 -0.370 20 0 IBADHN CC[C@H](CN1CCCC1)NC(=O)C(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000672696523 1073183699 /nfs/dbraw/zinc/18/36/99/1073183699.db2.gz YDCGMOUSUSWMBF-SJORKVTESA-N 0 3 430.571 -0.370 20 0 IBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N[C@@H]2CCN(C(=O)C3CCCC3)C2)CC1 ZINC000673354687 1073206535 /nfs/dbraw/zinc/20/65/35/1073206535.db2.gz SVIOLAZUXZENKN-MSOLQXFVSA-N 0 3 433.553 -0.341 20 0 IBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N[C@@H]2CCN(C(=O)C3CCCC3)C2)CC1 ZINC000673354690 1073206771 /nfs/dbraw/zinc/20/67/71/1073206771.db2.gz SVIOLAZUXZENKN-QZTJIDSGSA-N 0 3 433.553 -0.341 20 0 IBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)N[C@H]2CCN(C(=O)C3CCCC3)C2)CC1 ZINC000673354692 1073206575 /nfs/dbraw/zinc/20/65/75/1073206575.db2.gz SVIOLAZUXZENKN-ROUUACIJSA-N 0 3 433.553 -0.341 20 0 IBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)N[C@H]2CCN(C(=O)C3CCCC3)C2)CC1 ZINC000673354694 1073206734 /nfs/dbraw/zinc/20/67/34/1073206734.db2.gz SVIOLAZUXZENKN-ZWKOTPCHSA-N 0 3 433.553 -0.341 20 0 IBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N[C@@H]2CCN(C(=O)C3CCCC3)C2)CC1 ZINC000673359176 1073207189 /nfs/dbraw/zinc/20/71/89/1073207189.db2.gz DPQSFSBJVUVRFT-GOSISDBHSA-N 0 3 435.569 -0.094 20 0 IBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N[C@H]2CCN(C(=O)C3CCCC3)C2)CC1 ZINC000673359177 1073207101 /nfs/dbraw/zinc/20/71/01/1073207101.db2.gz DPQSFSBJVUVRFT-SFHVURJKSA-N 0 3 435.569 -0.094 20 0 IBADHN O=C(CN1CCCC1)N1CCN(C(=O)C(=O)N[C@@H]2CCN(C(=O)C3CCCC3)C2)CC1 ZINC000673360352 1073207908 /nfs/dbraw/zinc/20/79/08/1073207908.db2.gz SJDXYDVWUCTZAX-GOSISDBHSA-N 0 3 433.553 -0.340 20 0 IBADHN O=C(CN1CCCC1)N1CCN(C(=O)C(=O)N[C@H]2CCN(C(=O)C3CCCC3)C2)CC1 ZINC000673360355 1073207969 /nfs/dbraw/zinc/20/79/69/1073207969.db2.gz SJDXYDVWUCTZAX-SFHVURJKSA-N 0 3 433.553 -0.340 20 0 IBADHN COc1ccc(S(=O)(=O)NCCC(=O)NC[C@]2(O)CN3CCC2CC3)cc1OC ZINC000673484487 1073216858 /nfs/dbraw/zinc/21/68/58/1073216858.db2.gz BAWVJSUSVNTWOY-IBGZPJMESA-N 0 3 427.523 -0.055 20 0 IBADHN COc1ccc(S(=O)(=O)NCCC(=O)NC[C@@]2(O)CN3CCC2CC3)cc1OC ZINC000673484488 1073216922 /nfs/dbraw/zinc/21/69/22/1073216922.db2.gz BAWVJSUSVNTWOY-LJQANCHMSA-N 0 3 427.523 -0.055 20 0 IBADHN Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N3CC[C@@H](N4CC[C@H](O)C4)C3)CC2)cc1 ZINC000673514736 1073219479 /nfs/dbraw/zinc/21/94/79/1073219479.db2.gz HQYRAYSOMYLQJM-MOPGFXCFSA-N 0 3 436.578 -0.031 20 0 IBADHN Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N3CC[C@H](N4CC[C@H](O)C4)C3)CC2)cc1 ZINC000673514751 1073219508 /nfs/dbraw/zinc/21/95/08/1073219508.db2.gz HQYRAYSOMYLQJM-OALUTQOASA-N 0 3 436.578 -0.031 20 0 IBADHN Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N3CC[C@H](N4CC[C@@H](O)C4)C3)CC2)cc1 ZINC000673514753 1073219445 /nfs/dbraw/zinc/21/94/45/1073219445.db2.gz HQYRAYSOMYLQJM-RBUKOAKNSA-N 0 3 436.578 -0.031 20 0 IBADHN Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N3CC[C@@H](N4CC[C@@H](O)C4)C3)CC2)cc1 ZINC000673514758 1073219537 /nfs/dbraw/zinc/21/95/37/1073219537.db2.gz HQYRAYSOMYLQJM-RTBURBONSA-N 0 3 436.578 -0.031 20 0 IBADHN CN(C)C[C@@H](CO)NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000673520324 1073219416 /nfs/dbraw/zinc/21/94/16/1073219416.db2.gz DIVVQVIZXFTVCS-INIZCTEOSA-N 0 3 426.539 -0.662 20 0 IBADHN CN(C)C[C@H](CO)NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000673520326 1073219341 /nfs/dbraw/zinc/21/93/41/1073219341.db2.gz DIVVQVIZXFTVCS-MRXNPFEDSA-N 0 3 426.539 -0.662 20 0 IBADHN COc1ccc(CC(=O)N[C@H](CO)CN2CCCC2)cc1S(=O)(=O)N1CCOCC1 ZINC000673530044 1073220387 /nfs/dbraw/zinc/22/03/87/1073220387.db2.gz BVDPYMHXYQMRTL-KRWDZBQOSA-N 0 3 441.550 -0.169 20 0 IBADHN COc1ccc(CC(=O)N[C@@H](CO)CN2CCCC2)cc1S(=O)(=O)N1CCOCC1 ZINC000673530047 1073220451 /nfs/dbraw/zinc/22/04/51/1073220451.db2.gz BVDPYMHXYQMRTL-QGZVFWFLSA-N 0 3 441.550 -0.169 20 0 IBADHN COCCN(C)CCN1C[C@@H](NC(=O)c2cccc(CN3C(=O)CNC3=O)c2)CC1=O ZINC000673549663 1073224941 /nfs/dbraw/zinc/22/49/41/1073224941.db2.gz KFSVXKSXUYWKAF-KRWDZBQOSA-N 0 3 431.493 -0.353 20 0 IBADHN COCCN(C)CCN1C[C@H](NC(=O)c2cccc(CN3C(=O)CNC3=O)c2)CC1=O ZINC000673549664 1073224867 /nfs/dbraw/zinc/22/48/67/1073224867.db2.gz KFSVXKSXUYWKAF-QGZVFWFLSA-N 0 3 431.493 -0.353 20 0 IBADHN COCCN(C)CCN1C[C@@H](NC(=O)c2cc(C)c(C)c(S(N)(=O)=O)c2)CC1=O ZINC000673550200 1073224477 /nfs/dbraw/zinc/22/44/77/1073224477.db2.gz UFKCBPOVHUUOMX-INIZCTEOSA-N 0 3 426.539 -0.140 20 0 IBADHN COCCN(C)CCN1C[C@H](NC(=O)c2cc(C)c(C)c(S(N)(=O)=O)c2)CC1=O ZINC000673550201 1073224428 /nfs/dbraw/zinc/22/44/28/1073224428.db2.gz UFKCBPOVHUUOMX-MRXNPFEDSA-N 0 3 426.539 -0.140 20 0 IBADHN CN(C)S(=O)(=O)N1CCCC[C@H]1CNC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000673587719 1073229727 /nfs/dbraw/zinc/22/97/27/1073229727.db2.gz WHLZNQKYZSYPNC-KRWDZBQOSA-N 0 3 444.602 -0.403 20 0 IBADHN CN(C)S(=O)(=O)N1CCCC[C@@H]1CNC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000673587720 1073229885 /nfs/dbraw/zinc/22/98/85/1073229885.db2.gz WHLZNQKYZSYPNC-QGZVFWFLSA-N 0 3 444.602 -0.403 20 0 IBADHN C[C@H]1CCN(CCNC(=O)C(=O)Nc2ccc(N3CCN(S(C)(=O)=O)CC3)nc2)C1 ZINC000673626385 1073236632 /nfs/dbraw/zinc/23/66/32/1073236632.db2.gz QPCNFHUWFIUUAX-HNNXBMFYSA-N 0 3 438.554 -0.440 20 0 IBADHN C[C@@H]1CCN(CCNC(=O)C(=O)Nc2ccc(N3CCN(S(C)(=O)=O)CC3)nc2)C1 ZINC000673626386 1073236711 /nfs/dbraw/zinc/23/67/11/1073236711.db2.gz QPCNFHUWFIUUAX-OAHLLOKOSA-N 0 3 438.554 -0.440 20 0 IBADHN CC(C)NC(=O)CNS(=O)(=O)CCC(=O)Nc1cnccc1N1CCN(C)CC1 ZINC000673646770 1073239114 /nfs/dbraw/zinc/23/91/14/1073239114.db2.gz WZCOVXVGKMWSOF-UHFFFAOYSA-N 0 3 426.543 -0.394 20 0 IBADHN COCCN1CCC[C@H](NC(=O)CNS(=O)(=O)c2ccc(CNC(C)=O)s2)C1 ZINC000673662799 1073240779 /nfs/dbraw/zinc/24/07/79/1073240779.db2.gz UIFNAKSOQNONTL-AWEZNQCLSA-N 0 3 432.568 -0.111 20 0 IBADHN COCCN1CCC[C@@H](NC(=O)CNS(=O)(=O)c2ccc(CNC(C)=O)s2)C1 ZINC000673662802 1073240922 /nfs/dbraw/zinc/24/09/22/1073240922.db2.gz UIFNAKSOQNONTL-CQSZACIVSA-N 0 3 432.568 -0.111 20 0 IBADHN CN(C)CCN1C[C@@H](C(=O)Nc2ccc(N3CCN(S(C)(=O)=O)CC3)nc2)CC1=O ZINC000673668808 1073241412 /nfs/dbraw/zinc/24/14/12/1073241412.db2.gz RADPAPHMEZZEKE-HNNXBMFYSA-N 0 3 438.554 -0.488 20 0 IBADHN CN(C)CCN1C[C@H](C(=O)Nc2ccc(N3CCN(S(C)(=O)=O)CC3)nc2)CC1=O ZINC000673668810 1073241520 /nfs/dbraw/zinc/24/15/20/1073241520.db2.gz RADPAPHMEZZEKE-OAHLLOKOSA-N 0 3 438.554 -0.488 20 0 IBADHN Cc1c(C(=O)N2CCN(CCS(N)(=O)=O)CC2)nnn1-c1cccc2c1CCN(C)C2 ZINC000673942769 1073250224 /nfs/dbraw/zinc/25/02/24/1073250224.db2.gz WIBAQZFLFLQPRV-UHFFFAOYSA-N 0 3 447.565 -0.390 20 0 IBADHN Cc1ccc(CN(C)C)cc1NC(=O)C(=O)NCCN1CCN(S(C)(=O)=O)CC1 ZINC000674038950 1073258103 /nfs/dbraw/zinc/25/81/03/1073258103.db2.gz GWNPQTKEWMFKKF-UHFFFAOYSA-N 0 3 425.555 -0.311 20 0 IBADHN CS(=O)(=O)N[C@@H]1CCCN(CCOCCN2CCC[C@H](NS(C)(=O)=O)C2)C1 ZINC000674231981 1073261975 /nfs/dbraw/zinc/26/19/75/1073261975.db2.gz LYRXQPZEIXNJGY-IYBDPMFKSA-N 0 3 426.605 -0.970 20 0 IBADHN COc1nc(N2CCN([C@@H]3CCC[C@H]3O)CC2)nc(N2CCN([C@@H]3CCC[C@@H]3O)CC2)n1 ZINC000674246457 1073262381 /nfs/dbraw/zinc/26/23/81/1073262381.db2.gz FFMYDKHFESITKH-MKXGPGLRSA-N 0 3 447.584 -0.049 20 0 IBADHN COc1nc(N2CCN([C@@H]3CCC[C@@H]3O)CC2)nc(N2CCN([C@H]3CCC[C@@H]3O)CC2)n1 ZINC000674246460 1073262488 /nfs/dbraw/zinc/26/24/88/1073262488.db2.gz FFMYDKHFESITKH-RDGPPVDQSA-N 0 3 447.584 -0.049 20 0 IBADHN COc1nc(N2CCN([C@@H]3CCC[C@@H]3O)CC2)nc(N2CCN([C@H]3CCC[C@H]3O)CC2)n1 ZINC000674246461 1073262589 /nfs/dbraw/zinc/26/25/89/1073262589.db2.gz FFMYDKHFESITKH-SEXKYXSUSA-N 0 3 447.584 -0.049 20 0 IBADHN COc1nc(N2CCN([C@@H]3CCC[C@@H]3O)CC2)nc(N2CCN([C@@H]3CCC[C@@H]3O)CC2)n1 ZINC000674246462 1073262428 /nfs/dbraw/zinc/26/24/28/1073262428.db2.gz FFMYDKHFESITKH-YRXWBPOGSA-N 0 3 447.584 -0.049 20 0 IBADHN COC1CCN(CCNC(=O)CNS(=O)(=O)c2ccc(CNC(C)=O)s2)CC1 ZINC000674324937 1073262985 /nfs/dbraw/zinc/26/29/85/1073262985.db2.gz TYLOYWCBAFSKJF-UHFFFAOYSA-N 0 3 432.568 -0.111 20 0 IBADHN COC1CCN(CCNC(=O)CNC(=O)c2cccc(S(=O)(=O)N(C)C)c2)CC1 ZINC000674325997 1073262971 /nfs/dbraw/zinc/26/29/71/1073262971.db2.gz UTVPEVOTQCDJIN-UHFFFAOYSA-N 0 3 426.539 -0.106 20 0 IBADHN COC1CCN(CCNC(=O)NC2CCN(S(=O)(=O)c3cnn(C)c3)CC2)CC1 ZINC000674329670 1073263536 /nfs/dbraw/zinc/26/35/36/1073263536.db2.gz JJKJCSCPVQNZKT-UHFFFAOYSA-N 0 3 428.559 -0.017 20 0 IBADHN CCN1C(=O)[C@@H]2CN(CCC(=O)NCCc3ccc(S(N)(=O)=O)cc3)CCN2C1=O ZINC000674501520 1073268033 /nfs/dbraw/zinc/26/80/33/1073268033.db2.gz OTBRIOKZBMIDNW-INIZCTEOSA-N 0 3 437.522 -0.649 20 0 IBADHN CCN1C(=O)[C@H]2CN(CCC(=O)NCCc3ccc(S(N)(=O)=O)cc3)CCN2C1=O ZINC000674501521 1073268151 /nfs/dbraw/zinc/26/81/51/1073268151.db2.gz OTBRIOKZBMIDNW-MRXNPFEDSA-N 0 3 437.522 -0.649 20 0 IBADHN CNc1nc(N2CCN([C@@H]3CCC[C@H]3O)CC2)nc(N2CCN([C@@H]3CCC[C@@H]3O)CC2)n1 ZINC000675149925 1073275935 /nfs/dbraw/zinc/27/59/35/1073275935.db2.gz FKXOMIWNFOYFCA-MKXGPGLRSA-N 0 3 446.600 -0.594 20 0 IBADHN CNc1nc(N2CCN([C@@H]3CCC[C@@H]3O)CC2)nc(N2CCN([C@H]3CCC[C@@H]3O)CC2)n1 ZINC000675149929 1073275909 /nfs/dbraw/zinc/27/59/09/1073275909.db2.gz FKXOMIWNFOYFCA-RDGPPVDQSA-N 0 3 446.600 -0.594 20 0 IBADHN CNc1nc(N2CCN([C@@H]3CCC[C@@H]3O)CC2)nc(N2CCN([C@H]3CCC[C@H]3O)CC2)n1 ZINC000675149931 1073276017 /nfs/dbraw/zinc/27/60/17/1073276017.db2.gz FKXOMIWNFOYFCA-SEXKYXSUSA-N 0 3 446.600 -0.594 20 0 IBADHN CNc1nc(N2CCN([C@@H]3CCC[C@@H]3O)CC2)nc(N2CCN([C@@H]3CCC[C@@H]3O)CC2)n1 ZINC000675149933 1073275818 /nfs/dbraw/zinc/27/58/18/1073275818.db2.gz FKXOMIWNFOYFCA-YRXWBPOGSA-N 0 3 446.600 -0.594 20 0 IBADHN CNc1nc(NCC(C)(C)NS(C)(=O)=O)nc(NCC(C)(C)NS(C)(=O)=O)n1 ZINC000675150929 1073275895 /nfs/dbraw/zinc/27/58/95/1073275895.db2.gz VIIQILSHXBRJIL-UHFFFAOYSA-N 0 3 438.580 -0.607 20 0 IBADHN NC(=O)[C@H]1CCCN1C1CCN(C(=O)CNS(=O)(=O)c2ccc3c(c2)COC3)CC1 ZINC000675320927 1073278167 /nfs/dbraw/zinc/27/81/67/1073278167.db2.gz WCUZWAQKEHLKDE-GOSISDBHSA-N 0 3 436.534 -0.064 20 0 IBADHN NC(=O)[C@@H]1CCCN1C1CCN(C(=O)CNS(=O)(=O)c2ccc3c(c2)COC3)CC1 ZINC000675320934 1073278129 /nfs/dbraw/zinc/27/81/29/1073278129.db2.gz WCUZWAQKEHLKDE-SFHVURJKSA-N 0 3 436.534 -0.064 20 0 IBADHN O=C(NC1CCN([C@H]2CCOC2)CC1)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000675538817 1073280864 /nfs/dbraw/zinc/28/08/64/1073280864.db2.gz PCTJORSGBIBVCU-KRWDZBQOSA-N 0 3 436.534 -0.210 20 0 IBADHN O=C(NC1CCN([C@@H]2CCOC2)CC1)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000675538819 1073280731 /nfs/dbraw/zinc/28/07/31/1073280731.db2.gz PCTJORSGBIBVCU-QGZVFWFLSA-N 0 3 436.534 -0.210 20 0 IBADHN O=C(NC1CCN([C@H]2CCOC2)CC1)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 ZINC000675538842 1073280826 /nfs/dbraw/zinc/28/08/26/1073280826.db2.gz QAWPDJJHDYZTNJ-KRWDZBQOSA-N 0 3 436.534 -0.210 20 0 IBADHN O=C(NC1CCN([C@@H]2CCOC2)CC1)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 ZINC000675538843 1073280777 /nfs/dbraw/zinc/28/07/77/1073280777.db2.gz QAWPDJJHDYZTNJ-QGZVFWFLSA-N 0 3 436.534 -0.210 20 0 IBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)CC1 ZINC000675916679 1073286568 /nfs/dbraw/zinc/28/65/68/1073286568.db2.gz LQSWVSPXEQIXOV-HNNXBMFYSA-N 0 3 440.522 -0.321 20 0 IBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)CC1 ZINC000675916691 1073286665 /nfs/dbraw/zinc/28/66/65/1073286665.db2.gz LQSWVSPXEQIXOV-OAHLLOKOSA-N 0 3 440.522 -0.321 20 0 IBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)NCc2cc(S(N)(=O)=O)ccc2F)CC1 ZINC000675988855 1073287844 /nfs/dbraw/zinc/28/78/44/1073287844.db2.gz MGNYDABUCSXXAC-INIZCTEOSA-N 0 3 427.502 -0.079 20 0 IBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)NCc2cc(S(N)(=O)=O)ccc2F)CC1 ZINC000675988861 1073287904 /nfs/dbraw/zinc/28/79/04/1073287904.db2.gz MGNYDABUCSXXAC-MRXNPFEDSA-N 0 3 427.502 -0.079 20 0 IBADHN Cc1c(C(=O)N2CCC(N3CCC[C@H]3C(N)=O)CC2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000676638109 1073300719 /nfs/dbraw/zinc/30/07/19/1073300719.db2.gz WJTIIJDBXRGDSC-HNNXBMFYSA-N 0 3 428.493 -0.505 20 0 IBADHN Cc1c(C(=O)N2CCC(N3CCC[C@@H]3C(N)=O)CC2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000676638112 1073300604 /nfs/dbraw/zinc/30/06/04/1073300604.db2.gz WJTIIJDBXRGDSC-OAHLLOKOSA-N 0 3 428.493 -0.505 20 0 IBADHN Cc1nc(N(C)CCN2CCCS2(=O)=O)cc(N(C)CCN2CCCS2(=O)=O)n1 ZINC000676878002 1072729370 /nfs/dbraw/zinc/72/93/70/1072729370.db2.gz FTZPSRQYAWLZOY-UHFFFAOYSA-N 0 3 446.599 -0.272 20 0 IBADHN Cc1nc(N2CCC[C@@H](CS(N)(=O)=O)C2)cc(N2CCC[C@H](CS(N)(=O)=O)C2)n1 ZINC000676878301 1072729512 /nfs/dbraw/zinc/72/95/12/1072729512.db2.gz VBOQQZYKMFPMNC-GASCZTMLSA-N 0 3 446.599 -0.205 20 0 IBADHN CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)CN3CC[C@@H](CC(N)=O)C3)CC2)cc1 ZINC000676888937 1072730183 /nfs/dbraw/zinc/73/01/83/1072730183.db2.gz ZJCWXSSNHWEKAF-INIZCTEOSA-N 0 3 436.534 -0.081 20 0 IBADHN CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)CN3CC[C@H](CC(N)=O)C3)CC2)cc1 ZINC000676888945 1072730003 /nfs/dbraw/zinc/73/00/03/1072730003.db2.gz ZJCWXSSNHWEKAF-MRXNPFEDSA-N 0 3 436.534 -0.081 20 0 IBADHN CC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)CN3CC[C@@H](CC(N)=O)C3)CC2)c1 ZINC000676892091 1072730205 /nfs/dbraw/zinc/73/02/05/1072730205.db2.gz RKOUOGMDFDMVNJ-INIZCTEOSA-N 0 3 436.534 -0.081 20 0 IBADHN CC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)CN3CC[C@H](CC(N)=O)C3)CC2)c1 ZINC000676892092 1072730120 /nfs/dbraw/zinc/73/01/20/1072730120.db2.gz RKOUOGMDFDMVNJ-MRXNPFEDSA-N 0 3 436.534 -0.081 20 0 IBADHN NC(=O)C[C@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)C1 ZINC000676904170 1072730026 /nfs/dbraw/zinc/73/00/26/1072730026.db2.gz UUBJFCMTSDKLIA-CYBMUJFWSA-N 0 3 430.477 -0.005 20 0 IBADHN NC(=O)C[C@@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)C1 ZINC000676904171 1072729944 /nfs/dbraw/zinc/72/99/44/1072729944.db2.gz UUBJFCMTSDKLIA-ZDUSSCGKSA-N 0 3 430.477 -0.005 20 0 IBADHN CCc1c(C(=O)N2CCC(N3CCC[C@H]3C(N)=O)CC2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000677139662 1072731137 /nfs/dbraw/zinc/73/11/37/1072731137.db2.gz JFEIBYDEGUAELD-INIZCTEOSA-N 0 3 442.520 -0.251 20 0 IBADHN CCc1c(C(=O)N2CCC(N3CCC[C@@H]3C(N)=O)CC2)cnc2c1c(=O)n(C)c(=O)n2C ZINC000677139664 1072731295 /nfs/dbraw/zinc/73/12/95/1072731295.db2.gz JFEIBYDEGUAELD-MRXNPFEDSA-N 0 3 442.520 -0.251 20 0 IBADHN C[C@@H](CNC(=O)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1)N(C)C ZINC000677272828 1072732646 /nfs/dbraw/zinc/73/26/46/1072732646.db2.gz YTSMBQDVTMBWGY-AWEZNQCLSA-N 0 3 441.554 -0.222 20 0 IBADHN C[C@H](CNC(=O)C(=O)Nc1cc(S(=O)(=O)N(C)C)ccc1N1CCOCC1)N(C)C ZINC000677272829 1072732752 /nfs/dbraw/zinc/73/27/52/1072732752.db2.gz YTSMBQDVTMBWGY-CQSZACIVSA-N 0 3 441.554 -0.222 20 0 IBADHN CC(C)N1CCN(C2CCN(S(=O)(=O)N3CCN(S(C)(=O)=O)CC3)CC2)CC1 ZINC000677660920 1072735987 /nfs/dbraw/zinc/73/59/87/1072735987.db2.gz JREHERYWLRIVOM-UHFFFAOYSA-N 0 3 437.632 -0.701 20 0 IBADHN COCCn1c(N)c(C(=O)CN2CCC(N3CCN(C(C)C)CC3)CC2)c(=O)[nH]c1=O ZINC000677739266 1072736749 /nfs/dbraw/zinc/73/67/49/1072736749.db2.gz ZFNXLBHVJKHUJL-UHFFFAOYSA-N 0 3 436.557 -0.149 20 0 IBADHN NC(=O)c1cc(S(=O)(=O)NCC(=O)Nc2ccc(CN3CCC(O)CC3)cc2)c[nH]1 ZINC000677839132 1072736574 /nfs/dbraw/zinc/73/65/74/1072736574.db2.gz OSJPZPKNEKQSAP-UHFFFAOYSA-N 0 3 435.506 -0.013 20 0 IBADHN CN1CCN(S(=O)(=O)c2ccc(N3CCC(N4CCC[C@@H]4C(N)=O)CC3)nc2)CC1 ZINC000678069486 1072738863 /nfs/dbraw/zinc/73/88/63/1072738863.db2.gz NCNJUOZNDOVQMV-GOSISDBHSA-N 0 3 436.582 -0.064 20 0 IBADHN CN1CCN(S(=O)(=O)c2ccc(N3CCC(N4CCC[C@H]4C(N)=O)CC3)nc2)CC1 ZINC000678069488 1072739047 /nfs/dbraw/zinc/73/90/47/1072739047.db2.gz NCNJUOZNDOVQMV-SFHVURJKSA-N 0 3 436.582 -0.064 20 0 IBADHN CN(C)CCn1c2cc(NC(=O)C(=O)N3CCN(CC(=O)N(C)C)CC3)ccc2oc1=O ZINC000678677185 1072744050 /nfs/dbraw/zinc/74/40/50/1072744050.db2.gz FXDUGDDGLCVRJD-UHFFFAOYSA-N 0 3 446.508 -0.673 20 0 IBADHN CCN1CCN(Cc2ccc(NC(=O)C(=O)N3CCN(CC(=O)N(C)C)CC3)cc2)CC1 ZINC000678680952 1072744922 /nfs/dbraw/zinc/74/49/22/1072744922.db2.gz FGGLFAYROBKXJX-UHFFFAOYSA-N 0 3 444.580 -0.005 20 0 IBADHN Cc1nnc(CN2CCN(CCOCCN3CCN(Cc4nnc(C)[nH]4)CC3)CC2)[nH]1 ZINC000678890451 1072747681 /nfs/dbraw/zinc/74/76/81/1072747681.db2.gz GYAQOLHEGOOGAC-UHFFFAOYSA-N 0 3 432.577 -0.508 20 0 IBADHN COc1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)N2CCO[C@@H](CN(C)C)C2)cc1 ZINC000679796869 1072760483 /nfs/dbraw/zinc/76/04/83/1072760483.db2.gz ABSJPGUMQLXTJZ-HFTRVMKXSA-N 0 3 427.523 -0.392 20 0 IBADHN COc1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)N2CCO[C@H](CN(C)C)C2)cc1 ZINC000679796870 1072760444 /nfs/dbraw/zinc/76/04/44/1072760444.db2.gz ABSJPGUMQLXTJZ-KYJSFNMBSA-N 0 3 427.523 -0.392 20 0 IBADHN COc1ccc(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)N2CCO[C@H](CN(C)C)C2)cc1 ZINC000679796871 1072760288 /nfs/dbraw/zinc/76/02/88/1072760288.db2.gz ABSJPGUMQLXTJZ-LESCRADOSA-N 0 3 427.523 -0.392 20 0 IBADHN COc1ccc(S(=O)(=O)N2C[C@@H](O)C[C@H]2C(=O)N2CCO[C@@H](CN(C)C)C2)cc1 ZINC000679796872 1072760495 /nfs/dbraw/zinc/76/04/95/1072760495.db2.gz ABSJPGUMQLXTJZ-ZVZYQTTQSA-N 0 3 427.523 -0.392 20 0 IBADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)Nc2ccc(S(=O)(=O)NC)cc2)CC1 ZINC000680149672 1072772845 /nfs/dbraw/zinc/77/28/45/1072772845.db2.gz QHGPEFLAMCXFPD-HNNXBMFYSA-N 0 3 425.555 -0.077 20 0 IBADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)Nc2ccc(S(=O)(=O)NC)cc2)CC1 ZINC000680149673 1072772938 /nfs/dbraw/zinc/77/29/38/1072772938.db2.gz QHGPEFLAMCXFPD-OAHLLOKOSA-N 0 3 425.555 -0.077 20 0 IBADHN CNS(=O)(=O)c1ccc(NC(=O)C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)cc1 ZINC000680151063 1072772829 /nfs/dbraw/zinc/77/28/29/1072772829.db2.gz HOTJKUMIXKSVCW-INIZCTEOSA-N 0 3 439.538 -0.408 20 0 IBADHN CNS(=O)(=O)c1ccc(NC(=O)C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)cc1 ZINC000680151064 1072772959 /nfs/dbraw/zinc/77/29/59/1072772959.db2.gz HOTJKUMIXKSVCW-MRXNPFEDSA-N 0 3 439.538 -0.408 20 0 IBADHN CNS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)cc1 ZINC000680151657 1072772867 /nfs/dbraw/zinc/77/28/67/1072772867.db2.gz OLWARHWYGDNZSG-UHFFFAOYSA-N 0 3 437.522 -0.700 20 0 IBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)Nc2ccc(S(=O)(=O)NC)cc2)CC1 ZINC000680152300 1072772807 /nfs/dbraw/zinc/77/28/07/1072772807.db2.gz YKXPRMVHOSBFGR-UHFFFAOYSA-N 0 3 439.538 -0.454 20 0 IBADHN CNS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)cc1 ZINC000680164736 1072773884 /nfs/dbraw/zinc/77/38/84/1072773884.db2.gz UOPFGWZUYZOYSO-INIZCTEOSA-N 0 3 437.522 -0.702 20 0 IBADHN CNS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)cc1 ZINC000680164737 1072773822 /nfs/dbraw/zinc/77/38/22/1072773822.db2.gz UOPFGWZUYZOYSO-MRXNPFEDSA-N 0 3 437.522 -0.702 20 0 IBADHN CN(C)C(=O)CCN1CCN(c2nccnc2N2CCN(CCC(=O)N(C)C)CC2)CC1 ZINC000680956504 1072781774 /nfs/dbraw/zinc/78/17/74/1072781774.db2.gz FDCUMDZKEJQFDC-UHFFFAOYSA-N 0 3 446.600 -0.323 20 0 IBADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C ZINC000681152204 1072784236 /nfs/dbraw/zinc/78/42/36/1072784236.db2.gz OYYJKHQDLCAXLK-INIZCTEOSA-N 0 3 427.571 -0.198 20 0 IBADHN C[C@H](CCN1CCN(C)CC1)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C ZINC000681152205 1072784273 /nfs/dbraw/zinc/78/42/73/1072784273.db2.gz OYYJKHQDLCAXLK-MRXNPFEDSA-N 0 3 427.571 -0.198 20 0 IBADHN CCN1CCN(c2cccc(NC(=O)C(=O)N3CCN(CC(=O)N(C)C)CC3)c2)CC1 ZINC000681170960 1072784746 /nfs/dbraw/zinc/78/47/46/1072784746.db2.gz XSPAGSLXADIKNQ-UHFFFAOYSA-N 0 3 430.553 -0.001 20 0 IBADHN CS(=O)(=O)N1CCC(NC2CN(S(=O)(=O)c3ccc4c(c3)OCCO4)C2)CC1 ZINC000681750576 1072790316 /nfs/dbraw/zinc/79/03/16/1072790316.db2.gz AICDHBLSMRUGCI-UHFFFAOYSA-N 0 3 431.536 -0.156 20 0 IBADHN CN(C(=O)CN1CCN(C)CC1)c1ccc(NC(=O)C(=O)N2CCCN(C)CC2)cc1 ZINC000681784601 1072790890 /nfs/dbraw/zinc/79/08/90/1072790890.db2.gz HOIFYQYWJMGUMF-UHFFFAOYSA-N 0 3 430.553 -0.001 20 0 IBADHN Cc1nc(N2CCC[C@@H](NS(C)(=O)=O)C2)cc(N2CCC[C@H](NS(C)(=O)=O)C2)n1 ZINC000681975361 1072791411 /nfs/dbraw/zinc/79/14/11/1072791411.db2.gz AKOFBTCYCOFESE-GASCZTMLSA-N 0 3 446.599 -0.179 20 0 IBADHN CN(CCN1CCCC1)C(=O)C(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)nc1 ZINC000682188589 1072795944 /nfs/dbraw/zinc/79/59/44/1072795944.db2.gz UCKOMEIHOFAYTK-UHFFFAOYSA-N 0 3 438.554 -0.344 20 0 IBADHN CN(CCN(C)C1CC1)C(=O)C(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)nc1 ZINC000682314512 1072801374 /nfs/dbraw/zinc/80/13/74/1072801374.db2.gz TWUNKFMMCMQMNX-UHFFFAOYSA-N 0 3 438.554 -0.346 20 0 IBADHN COc1cnccc1N1CCN(C(=O)NCCN2CCN(S(C)(=O)=O)CC2)CC1 ZINC000684367068 1070989984 /nfs/dbraw/zinc/98/99/84/1070989984.db2.gz GANWBZHOGXDZEY-UHFFFAOYSA-N 0 3 426.543 -0.501 20 0 IBADHN C[C@@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)N1CCC(N2CCC[C@@H]2C(N)=O)CC1 ZINC000684426287 1070998176 /nfs/dbraw/zinc/99/81/76/1070998176.db2.gz FHPJOJRNCNSEOY-FOIQADDNSA-N 0 3 435.525 -0.457 20 0 IBADHN C[C@@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)N1CCC(N2CCC[C@H]2C(N)=O)CC1 ZINC000684426288 1070998023 /nfs/dbraw/zinc/99/80/23/1070998023.db2.gz FHPJOJRNCNSEOY-MGPUTAFESA-N 0 3 435.525 -0.457 20 0 IBADHN C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)N1CCC(N2CCC[C@@H]2C(N)=O)CC1 ZINC000684426289 1070998068 /nfs/dbraw/zinc/99/80/68/1070998068.db2.gz FHPJOJRNCNSEOY-QRWLVFNGSA-N 0 3 435.525 -0.457 20 0 IBADHN C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)N1CCC(N2CCC[C@H]2C(N)=O)CC1 ZINC000684426290 1070997983 /nfs/dbraw/zinc/99/79/83/1070997983.db2.gz FHPJOJRNCNSEOY-YWZLYKJASA-N 0 3 435.525 -0.457 20 0 IBADHN c1nc2nc(N3CCN([C@@H]4CCOC4)CC3)cc(N3CCN([C@H]4CCOC4)CC3)n2n1 ZINC000684578954 1071034870 /nfs/dbraw/zinc/03/48/70/1071034870.db2.gz ZPDWVEGCVWUNPJ-MSOLQXFVSA-N 0 3 428.541 -0.054 20 0 IBADHN c1nc2nc(N3CCN([C@@H]4CCOC4)CC3)cc(N3CCN([C@@H]4CCOC4)CC3)n2n1 ZINC000684578955 1071034929 /nfs/dbraw/zinc/03/49/29/1071034929.db2.gz ZPDWVEGCVWUNPJ-QZTJIDSGSA-N 0 3 428.541 -0.054 20 0 IBADHN c1nc2nc(N3CCN([C@H]4CCOC4)CC3)cc(N3CCN([C@H]4CCOC4)CC3)n2n1 ZINC000684578956 1071034891 /nfs/dbraw/zinc/03/48/91/1071034891.db2.gz ZPDWVEGCVWUNPJ-ROUUACIJSA-N 0 3 428.541 -0.054 20 0 IBADHN c1nc2nc(N3CCN([C@H]4CCOC4)CC3)cc(N3CCN([C@@H]4CCOC4)CC3)n2n1 ZINC000684578957 1071034911 /nfs/dbraw/zinc/03/49/11/1071034911.db2.gz ZPDWVEGCVWUNPJ-ZWKOTPCHSA-N 0 3 428.541 -0.054 20 0 IBADHN CN(C)S(=O)(=O)c1ccc(NC(=O)NCCCCN2CCN(CCO)CC2)nc1 ZINC000684695806 1071059761 /nfs/dbraw/zinc/05/97/61/1071059761.db2.gz UYCBXHZUNLAHFE-UHFFFAOYSA-N 0 3 428.559 -0.157 20 0 IBADHN CN1C(=O)COc2cc(NC(=O)C(=O)N3CCN(C(=O)CN4CCCC4)CC3)ccc21 ZINC000685026006 1071123573 /nfs/dbraw/zinc/12/35/73/1071123573.db2.gz PQXBGQRFMJOJSB-UHFFFAOYSA-N 0 3 429.477 -0.253 20 0 IBADHN COCCN(CCN(C)C)C(=O)C(=O)NCc1ccc(N2CCCS2(=O)=O)cc1 ZINC000685057568 1071137328 /nfs/dbraw/zinc/13/73/28/1071137328.db2.gz FQIRLDJCCHNCIG-UHFFFAOYSA-N 0 3 426.539 -0.121 20 0 IBADHN CS(=O)(=O)N1CC(CNC(=O)C(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000685108198 1071156739 /nfs/dbraw/zinc/15/67/39/1071156739.db2.gz LAKPRPAVKJBNTB-GOSISDBHSA-N 0 3 438.550 -0.599 20 0 IBADHN CS(=O)(=O)N1CC(CNC(=O)C(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC000685108200 1071156626 /nfs/dbraw/zinc/15/66/26/1071156626.db2.gz LAKPRPAVKJBNTB-SFHVURJKSA-N 0 3 438.550 -0.599 20 0 IBADHN COc1cnccc1N1CCN(C(=O)C(=O)N[C@@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)CC1 ZINC000685164505 1071175468 /nfs/dbraw/zinc/17/54/68/1071175468.db2.gz AWHBIIFQKZWUFJ-GDBMZVCRSA-N 0 3 441.492 -0.218 20 0 IBADHN COc1cnccc1N1CCN(C(=O)C(=O)N[C@@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)CC1 ZINC000685164506 1071175369 /nfs/dbraw/zinc/17/53/69/1071175369.db2.gz AWHBIIFQKZWUFJ-GOEBONIOSA-N 0 3 441.492 -0.218 20 0 IBADHN COc1cnccc1N1CCN(C(=O)C(=O)N[C@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)CC1 ZINC000685164508 1071175337 /nfs/dbraw/zinc/17/53/37/1071175337.db2.gz AWHBIIFQKZWUFJ-HOCLYGCPSA-N 0 3 441.492 -0.218 20 0 IBADHN COc1cnccc1N1CCN(C(=O)C(=O)N[C@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)CC1 ZINC000685164509 1071175354 /nfs/dbraw/zinc/17/53/54/1071175354.db2.gz AWHBIIFQKZWUFJ-ZBFHGGJFSA-N 0 3 441.492 -0.218 20 0 IBADHN C[C@@H]1C[C@@H](NC(=O)C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)C(=O)N1c1cnn(C)c1 ZINC000685166109 1071176234 /nfs/dbraw/zinc/17/62/34/1071176234.db2.gz YMRGFRIZROKFMN-DJIMGWMZSA-N 0 3 447.540 -0.911 20 0 IBADHN C[C@@H]1C[C@H](NC(=O)C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)C(=O)N1c1cnn(C)c1 ZINC000685166110 1071176258 /nfs/dbraw/zinc/17/62/58/1071176258.db2.gz YMRGFRIZROKFMN-HYVNUMGLSA-N 0 3 447.540 -0.911 20 0 IBADHN C[C@@H]1C[C@@H](NC(=O)C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)C(=O)N1c1cnn(C)c1 ZINC000685166111 1071176417 /nfs/dbraw/zinc/17/64/17/1071176417.db2.gz YMRGFRIZROKFMN-OIISXLGYSA-N 0 3 447.540 -0.911 20 0 IBADHN C[C@@H]1C[C@H](NC(=O)C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)C(=O)N1c1cnn(C)c1 ZINC000685166112 1071176161 /nfs/dbraw/zinc/17/61/61/1071176161.db2.gz YMRGFRIZROKFMN-PVAVHDDUSA-N 0 3 447.540 -0.911 20 0 IBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N[C@@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)CC1 ZINC000685170444 1071185692 /nfs/dbraw/zinc/18/56/92/1071185692.db2.gz AGNPQTJSBHRJFW-DOTOQJQBSA-N 0 3 447.540 -0.957 20 0 IBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N[C@@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)CC1 ZINC000685170446 1071185592 /nfs/dbraw/zinc/18/55/92/1071185592.db2.gz AGNPQTJSBHRJFW-NVXWUHKLSA-N 0 3 447.540 -0.957 20 0 IBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N[C@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)CC1 ZINC000685170448 1071185704 /nfs/dbraw/zinc/18/57/04/1071185704.db2.gz AGNPQTJSBHRJFW-RDJZCZTQSA-N 0 3 447.540 -0.957 20 0 IBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N[C@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)CC1 ZINC000685170450 1071186431 /nfs/dbraw/zinc/18/64/31/1071186431.db2.gz AGNPQTJSBHRJFW-WBVHZDCISA-N 0 3 447.540 -0.957 20 0 IBADHN CN(Cc1ccccc1)[C@@H]1CCN(C(=O)C(=O)NCCNS(=O)(=O)Cc2ccon2)C1 ZINC000685170915 1071184776 /nfs/dbraw/zinc/18/47/76/1071184776.db2.gz XTYRYSGYZJWNNW-GOSISDBHSA-N 0 3 449.533 -0.057 20 0 IBADHN CN(Cc1ccccc1)[C@H]1CCN(C(=O)C(=O)NCCNS(=O)(=O)Cc2ccon2)C1 ZINC000685170916 1071185024 /nfs/dbraw/zinc/18/50/24/1071185024.db2.gz XTYRYSGYZJWNNW-SFHVURJKSA-N 0 3 449.533 -0.057 20 0 IBADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N[C@@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)CC1 ZINC000685174207 1071189074 /nfs/dbraw/zinc/18/90/74/1071189074.db2.gz DHZVJKNSVSMCAX-JFIYKMOQSA-N 0 3 433.557 -0.580 20 0 IBADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N[C@H]2C[C@@H](C)N(c3cnn(C)c3)C2=O)CC1 ZINC000685174208 1071189117 /nfs/dbraw/zinc/18/91/17/1071189117.db2.gz DHZVJKNSVSMCAX-NUJGCVRESA-N 0 3 433.557 -0.580 20 0 IBADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N[C@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)CC1 ZINC000685174209 1071189044 /nfs/dbraw/zinc/18/90/44/1071189044.db2.gz DHZVJKNSVSMCAX-RYRKJORJSA-N 0 3 433.557 -0.580 20 0 IBADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N[C@@H]2C[C@H](C)N(c3cnn(C)c3)C2=O)CC1 ZINC000685174210 1071188864 /nfs/dbraw/zinc/18/88/64/1071188864.db2.gz DHZVJKNSVSMCAX-SOLBZPMBSA-N 0 3 433.557 -0.580 20 0 IBADHN COc1cccc(CN(CCN(C)C)C(=O)C(=O)NCC2CN(S(C)(=O)=O)C2)c1 ZINC000685328658 1071230776 /nfs/dbraw/zinc/23/07/76/1071230776.db2.gz PVOSPSPSGQOMFN-UHFFFAOYSA-N 0 3 426.539 -0.407 20 0 IBADHN CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)C(=O)NCC1CN(S(C)(=O)=O)C1 ZINC000685329211 1071231617 /nfs/dbraw/zinc/23/16/17/1071231617.db2.gz FLWMGLFYVZBMAD-UHFFFAOYSA-N 0 3 432.493 -0.137 20 0 IBADHN CCN1CCC[C@@H]1CN(Cc1ccncc1)C(=O)C(=O)NCC1CN(S(C)(=O)=O)C1 ZINC000685329592 1071232383 /nfs/dbraw/zinc/23/23/83/1071232383.db2.gz XIUROCZVIRFKRR-GOSISDBHSA-N 0 3 437.566 -0.098 20 0 IBADHN CCN1CCC[C@H]1CN(Cc1ccncc1)C(=O)C(=O)NCC1CN(S(C)(=O)=O)C1 ZINC000685329593 1071232194 /nfs/dbraw/zinc/23/21/94/1071232194.db2.gz XIUROCZVIRFKRR-SFHVURJKSA-N 0 3 437.566 -0.098 20 0 IBADHN CN(C)CCN(Cc1ccc(F)cc1F)C(=O)C(=O)NCC1CN(S(C)(=O)=O)C1 ZINC000685329603 1071232088 /nfs/dbraw/zinc/23/20/88/1071232088.db2.gz YCNOXKFOEOYVCV-UHFFFAOYSA-N 0 3 432.493 -0.137 20 0 IBADHN C[C@@H]1CN(CC2CCN(C(=O)C(=O)NC[C@H]3CCCN3S(C)(=O)=O)CC2)C[C@@H](C)O1 ZINC000685403688 1071242388 /nfs/dbraw/zinc/24/23/88/1071242388.db2.gz LITNOYMAQLIADK-JFIYKMOQSA-N 0 3 444.598 -0.126 20 0 IBADHN C[C@@H]1CN(CC2CCN(C(=O)C(=O)NC[C@H]3CCCN3S(C)(=O)=O)CC2)C[C@H](C)O1 ZINC000685403689 1071242167 /nfs/dbraw/zinc/24/21/67/1071242167.db2.gz LITNOYMAQLIADK-SOLBZPMBSA-N 0 3 444.598 -0.126 20 0 IBADHN C[C@H]1CN(CC2CCN(C(=O)C(=O)NC[C@H]3CCCN3S(C)(=O)=O)CC2)C[C@H](C)O1 ZINC000685403690 1071242193 /nfs/dbraw/zinc/24/21/93/1071242193.db2.gz LITNOYMAQLIADK-XYJFISCASA-N 0 3 444.598 -0.126 20 0 IBADHN CN1CCN(CCCNC(=O)C(=O)NCc2nnc3n2CCOC3)[C@@H](c2ccccc2)C1 ZINC000685484724 1071246162 /nfs/dbraw/zinc/24/61/62/1071246162.db2.gz PWWRQNXUNXGJAC-GOSISDBHSA-N 0 3 441.536 -0.081 20 0 IBADHN CN1CCN(CCCNC(=O)C(=O)NCc2nnc3n2CCOC3)[C@H](c2ccccc2)C1 ZINC000685484725 1071246246 /nfs/dbraw/zinc/24/62/46/1071246246.db2.gz PWWRQNXUNXGJAC-SFHVURJKSA-N 0 3 441.536 -0.081 20 0 IBADHN CN(CCN1CCN(C(=O)C(=O)NCc2nnc3n2CCOC3)CC1)Cc1ccccc1 ZINC000685486015 1071246828 /nfs/dbraw/zinc/24/68/28/1071246828.db2.gz UCCHEZVWQAFIDR-UHFFFAOYSA-N 0 3 441.536 -0.299 20 0 IBADHN O=C(NCCCN1CCN(Cc2ccccc2)CC1)C(=O)NCc1nnc2n1CCOC2 ZINC000685486829 1071247065 /nfs/dbraw/zinc/24/70/65/1071247065.db2.gz ZHAJTVOTHABUPR-UHFFFAOYSA-N 0 3 441.536 -0.251 20 0 IBADHN CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000685520282 1071248553 /nfs/dbraw/zinc/24/85/53/1071248553.db2.gz ARYNTJXWNXRCOG-DLBZAZTESA-N 0 3 444.598 -0.124 20 0 IBADHN CN1CCCC(C)(C)[C@H]1CNC(=O)C(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000685520283 1071248472 /nfs/dbraw/zinc/24/84/72/1071248472.db2.gz ARYNTJXWNXRCOG-IAGOWNOFSA-N 0 3 444.598 -0.124 20 0 IBADHN CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC000685520284 1071248318 /nfs/dbraw/zinc/24/83/18/1071248318.db2.gz ARYNTJXWNXRCOG-IRXDYDNUSA-N 0 3 444.598 -0.124 20 0 IBADHN CN1CCCC(C)(C)[C@@H]1CNC(=O)C(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC000685520285 1071248398 /nfs/dbraw/zinc/24/83/98/1071248398.db2.gz ARYNTJXWNXRCOG-SJORKVTESA-N 0 3 444.598 -0.124 20 0 IBADHN CN(C)S(=O)(=O)N1CCCN(CCC(=O)N2CCN(c3ncccn3)CC2)CC1 ZINC000685603625 1071252095 /nfs/dbraw/zinc/25/20/95/1071252095.db2.gz LNTJGPCVKCRBFQ-UHFFFAOYSA-N 0 3 425.559 -0.671 20 0 IBADHN Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)Nc1cnn(CC(=O)NCC[NH+](C)C)c1 ZINC000685757785 1071268804 /nfs/dbraw/zinc/26/88/04/1071268804.db2.gz GDDSWBYGVGLEPK-UHFFFAOYSA-N 0 3 427.487 -0.917 20 0 IBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000725907030 1072827293 /nfs/dbraw/zinc/82/72/93/1072827293.db2.gz KKHCURVJPMDBGV-GDBMZVCRSA-N 0 3 441.554 -0.789 20 0 IBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000725907032 1072827136 /nfs/dbraw/zinc/82/71/36/1072827136.db2.gz KKHCURVJPMDBGV-GOEBONIOSA-N 0 3 441.554 -0.789 20 0 IBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000725907033 1072827213 /nfs/dbraw/zinc/82/72/13/1072827213.db2.gz KKHCURVJPMDBGV-HOCLYGCPSA-N 0 3 441.554 -0.789 20 0 IBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000725907034 1072827640 /nfs/dbraw/zinc/82/76/40/1072827640.db2.gz KKHCURVJPMDBGV-ZBFHGGJFSA-N 0 3 441.554 -0.789 20 0 IBADHN CCN(CC)S(=O)(=O)N1CCN(C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)CC1 ZINC000726278842 1072832370 /nfs/dbraw/zinc/83/23/70/1072832370.db2.gz ZVNRYMZUWAJOMY-KRWDZBQOSA-N 0 3 446.618 -0.157 20 0 IBADHN CCN(CC)S(=O)(=O)N1CCN(C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC000726278845 1072832255 /nfs/dbraw/zinc/83/22/55/1072832255.db2.gz ZVNRYMZUWAJOMY-QGZVFWFLSA-N 0 3 446.618 -0.157 20 0 IBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)cc1 ZINC000726312471 1072833770 /nfs/dbraw/zinc/83/37/70/1072833770.db2.gz LBMZTHQZGDBOBH-GOSISDBHSA-N 0 3 444.536 -0.380 20 0 IBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)Nc1ccc(N2CCNC(=O)C2)cc1 ZINC000726312472 1072833594 /nfs/dbraw/zinc/83/35/94/1072833594.db2.gz LBMZTHQZGDBOBH-SFHVURJKSA-N 0 3 444.536 -0.380 20 0 IBADHN Cn1nc(Br)c2c1ncn(CC(=O)NC[C@@H]1CN3CCC[C@@H]3CO1)c2=O ZINC000727105012 1073372891 /nfs/dbraw/zinc/37/28/91/1073372891.db2.gz ZCNPIHLVQMMWFU-GHMZBOCLSA-N 0 3 425.287 -0.128 20 0 IBADHN Cn1nc(Br)c2c1ncn(CC(=O)NC[C@H]1CN3CCC[C@@H]3CO1)c2=O ZINC000727105015 1072489429 /nfs/dbraw/zinc/48/94/29/1072489429.db2.gz ZCNPIHLVQMMWFU-MNOVXSKESA-N 0 3 425.287 -0.128 20 0 IBADHN Cn1nc(Br)c2c1ncn(CC(=O)NC[C@H]1CN3CCC[C@H]3CO1)c2=O ZINC000727105017 1073372987 /nfs/dbraw/zinc/37/29/87/1073372987.db2.gz ZCNPIHLVQMMWFU-QWRGUYRKSA-N 0 3 425.287 -0.128 20 0 IBADHN Cn1nc(Br)c2c1ncn(CC(=O)NC[C@@H]1CN3CCC[C@H]3CO1)c2=O ZINC000727105020 1073372921 /nfs/dbraw/zinc/37/29/21/1073372921.db2.gz ZCNPIHLVQMMWFU-WDEREUQCSA-N 0 3 425.287 -0.128 20 0 IBADHN Cn1nc(Br)c2c1ncn(CC(=O)NCCCN1CCN(C)CC1)c2=O ZINC000727177274 1073374094 /nfs/dbraw/zinc/37/40/94/1073374094.db2.gz FFVLLMNZEUPZJB-UHFFFAOYSA-N 0 3 426.319 -0.354 20 0 IBADHN CCN1CCN(CCNC(=O)Cn2cnc3c(c(Br)nn3C)c2=O)CC1 ZINC000727177402 1073373926 /nfs/dbraw/zinc/37/39/26/1073373926.db2.gz HPYDNTHIGRIHBO-UHFFFAOYSA-N 0 3 426.319 -0.354 20 0 IBADHN C[C@H](CNC(=O)Cn1cnc2c(c(Br)nn2C)c1=O)CN1CCN(C)CC1 ZINC000727177847 1073373127 /nfs/dbraw/zinc/37/31/27/1073373127.db2.gz PICICCZXCRMEDW-GFCCVEGCSA-N 0 3 440.346 -0.108 20 0 IBADHN C[C@@H](CNC(=O)Cn1cnc2c(c(Br)nn2C)c1=O)CN1CCN(C)CC1 ZINC000727177848 1073373301 /nfs/dbraw/zinc/37/33/01/1073373301.db2.gz PICICCZXCRMEDW-LBPRGKRZSA-N 0 3 440.346 -0.108 20 0 IBADHN NS(=O)(=O)c1ccc(CNC(=S)N2CCN(C(=O)CN3CCCC3)CC2)cc1 ZINC000728450706 1071060663 /nfs/dbraw/zinc/06/06/63/1071060663.db2.gz FEFJEXGTZSRCOM-UHFFFAOYSA-N 0 3 425.580 -0.052 20 0 IBADHN CN(CC(=O)N1CCN(C(=O)CN2CCCC2)CC1)C1=NS(=O)(=O)c2ccccc21 ZINC000728551405 1071152666 /nfs/dbraw/zinc/15/26/66/1071152666.db2.gz JYFDDMCLKJJAGI-UHFFFAOYSA-N 0 3 433.534 -0.166 20 0 IBADHN CCn1c(=O)c2ccccc2n(CC(=O)N2CCN(C(=O)CN3CCCC3)CC2)c1=O ZINC000728551453 1071154155 /nfs/dbraw/zinc/15/41/55/1071154155.db2.gz DSBTXVTUPJBQGR-UHFFFAOYSA-N 0 3 427.505 -0.050 20 0 IBADHN Cc1nc(S(=O)(=O)N2CCN(CN3C(=O)NC4(CCN(C)CC4)C3=O)CC2)cs1 ZINC000728566725 1072605759 /nfs/dbraw/zinc/60/57/59/1072605759.db2.gz VYGXAYKHXIPRKD-UHFFFAOYSA-N 0 3 442.567 -0.268 20 0 IBADHN O=C(CCN1CCN(C(=O)CN2CCCC2)CC1)NN1C(=O)NC2(CCCCC2)C1=O ZINC000728576182 1071200180 /nfs/dbraw/zinc/20/01/80/1071200180.db2.gz OBLAARFAFCSJSC-UHFFFAOYSA-N 0 3 434.541 -0.098 20 0 IBADHN CC1CCC2(CC1)NC(=O)N(NC(=O)CN1CCN(C(=O)CN3CCCC3)CC1)C2=O ZINC000728576946 1071201617 /nfs/dbraw/zinc/20/16/17/1071201617.db2.gz VIEJVDONFOONJT-UHFFFAOYSA-N 0 3 434.541 -0.242 20 0 IBADHN O=C(CN1CCCC1)N1CCN(C(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)cc2)CC1 ZINC000728756191 1071352578 /nfs/dbraw/zinc/35/25/78/1071352578.db2.gz DOTCBFIUZJMJAT-UHFFFAOYSA-N 0 3 442.520 -0.672 20 0 IBADHN COCC(=O)Nc1ccc(NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)cc1 ZINC000728756409 1071352756 /nfs/dbraw/zinc/35/27/56/1071352756.db2.gz GXOUGGYSIJUTRU-UHFFFAOYSA-N 0 3 431.493 -0.023 20 0 IBADHN CCN(CC)CC(=O)N1CCN(C(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)CC1 ZINC000728880941 1071450830 /nfs/dbraw/zinc/45/08/30/1071450830.db2.gz MIOPATQBRUVMTG-HNNXBMFYSA-N 0 3 441.554 -0.836 20 0 IBADHN CCN(CC)CC(=O)N1CCN(C(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)CC1 ZINC000728880947 1071450869 /nfs/dbraw/zinc/45/08/69/1071450869.db2.gz MIOPATQBRUVMTG-OAHLLOKOSA-N 0 3 441.554 -0.836 20 0 IBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)cc2)CC1 ZINC000729066820 1071601780 /nfs/dbraw/zinc/60/17/80/1071601780.db2.gz PVQUQPOZCWXCNN-UHFFFAOYSA-N 0 3 444.536 -0.426 20 0 IBADHN C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)NC[C@@H]3CN4CCC[C@@H]4CO3)CC2)C[C@@H](C)O1 ZINC000729503886 1072295946 /nfs/dbraw/zinc/29/59/46/1072295946.db2.gz YJGGUWFWHAYHAZ-BRSBDYLESA-N 0 3 445.586 -0.469 20 0 IBADHN C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)NC[C@@H]3CN4CCC[C@@H]4CO3)CC2)C[C@H](C)O1 ZINC000729503889 1072295927 /nfs/dbraw/zinc/29/59/27/1072295927.db2.gz YJGGUWFWHAYHAZ-XMTFNYHQSA-N 0 3 445.586 -0.469 20 0 IBADHN C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)NC[C@@H]3CN4CCC[C@H]4CO3)CC2)C[C@H](C)O1 ZINC000729503891 1072295977 /nfs/dbraw/zinc/29/59/77/1072295977.db2.gz YJGGUWFWHAYHAZ-XWTMOSNGSA-N 0 3 445.586 -0.469 20 0 IBADHN C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)NC[C@@H]3CN4CCC[C@H]4CO3)CC2)C[C@@H](C)O1 ZINC000729503893 1072295747 /nfs/dbraw/zinc/29/57/47/1072295747.db2.gz YJGGUWFWHAYHAZ-ZJPYXAASSA-N 0 3 445.586 -0.469 20 0 IBADHN CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)NC[C@H]2CN3CCC[C@@H]3CO2)c1 ZINC000729504305 1072295415 /nfs/dbraw/zinc/29/54/15/1072295415.db2.gz HIUCNJJOMYXFEO-CABCVRRESA-N 0 3 425.511 -0.304 20 0 IBADHN CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)NC[C@H]2CN3CCC[C@H]3CO2)c1 ZINC000729504307 1072295095 /nfs/dbraw/zinc/29/50/95/1072295095.db2.gz HIUCNJJOMYXFEO-GJZGRUSLSA-N 0 3 425.511 -0.304 20 0 IBADHN CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)c1 ZINC000729504309 1072295348 /nfs/dbraw/zinc/29/53/48/1072295348.db2.gz HIUCNJJOMYXFEO-HUUCEWRRSA-N 0 3 425.511 -0.304 20 0 IBADHN CNS(=O)(=O)c1cccc(NC(=O)CNC(=O)NC[C@@H]2CN3CCC[C@H]3CO2)c1 ZINC000729504311 1072295203 /nfs/dbraw/zinc/29/52/03/1072295203.db2.gz HIUCNJJOMYXFEO-LSDHHAIUSA-N 0 3 425.511 -0.304 20 0 IBADHN NC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)NC[C@H]3CN4CCC[C@H]4CO3)CC2)o1 ZINC000729505758 1072297542 /nfs/dbraw/zinc/29/75/42/1072297542.db2.gz QNSPDRHOSXBPOK-KBPBESRZSA-N 0 3 441.510 -0.742 20 0 IBADHN NC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)NC[C@H]3CN4CCC[C@@H]4CO3)CC2)o1 ZINC000729505760 1072297354 /nfs/dbraw/zinc/29/73/54/1072297354.db2.gz QNSPDRHOSXBPOK-KGLIPLIRSA-N 0 3 441.510 -0.742 20 0 IBADHN NC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)NC[C@@H]3CN4CCC[C@H]4CO3)CC2)o1 ZINC000729505762 1072297465 /nfs/dbraw/zinc/29/74/65/1072297465.db2.gz QNSPDRHOSXBPOK-UONOGXRCSA-N 0 3 441.510 -0.742 20 0 IBADHN NC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)NC[C@@H]3CN4CCC[C@@H]4CO3)CC2)o1 ZINC000729505764 1072297429 /nfs/dbraw/zinc/29/74/29/1072297429.db2.gz QNSPDRHOSXBPOK-ZIAGYGMSSA-N 0 3 441.510 -0.742 20 0 IBADHN COCCN(CCN(C)C)C(=O)C(=O)N1CCc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000729880988 1073173576 /nfs/dbraw/zinc/17/35/76/1073173576.db2.gz UGGCDFVRBOOTCQ-UHFFFAOYSA-N 0 3 426.539 -0.137 20 0 IBADHN NS(=O)(=O)NC[C@H]1CCCN(CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)C1 ZINC000730570936 1073391123 /nfs/dbraw/zinc/39/11/23/1073391123.db2.gz NYZBTIXDIKGTAM-CYBMUJFWSA-N 0 3 430.531 -0.833 20 0 IBADHN NS(=O)(=O)NC[C@@H]1CCCN(CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)C1 ZINC000730570940 1073391143 /nfs/dbraw/zinc/39/11/43/1073391143.db2.gz NYZBTIXDIKGTAM-ZDUSSCGKSA-N 0 3 430.531 -0.833 20 0 IBADHN Cc1c(C(=O)NCCS(=O)(=O)N2CCOCC2)nnn1-c1cccc2c1CCN(C)C2 ZINC000731461164 1073398612 /nfs/dbraw/zinc/39/86/12/1073398612.db2.gz LWBQQBLCZFGBNZ-UHFFFAOYSA-N 0 3 448.549 -0.045 20 0 IBADHN CS(=O)(=O)CCN1CCC(NC(=O)N2CCN(C(=O)CN3CCCC3)CC2)CC1 ZINC000731686425 1073403024 /nfs/dbraw/zinc/40/30/24/1073403024.db2.gz VRGMVSUAQQLLQV-UHFFFAOYSA-N 0 3 429.587 -0.555 20 0 IBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)NC1CCN(CCS(C)(=O)=O)CC1 ZINC000731759668 1073409398 /nfs/dbraw/zinc/40/93/98/1073409398.db2.gz TWHYAQMRSJNOTF-KRWDZBQOSA-N 0 3 431.603 -0.263 20 0 IBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)NC1CCN(CCS(C)(=O)=O)CC1 ZINC000731759669 1073409509 /nfs/dbraw/zinc/40/95/09/1073409509.db2.gz TWHYAQMRSJNOTF-QGZVFWFLSA-N 0 3 431.603 -0.263 20 0 IBADHN CCN(CC)CC(=O)N1CCN(C(=O)NC2CCN(CCS(C)(=O)=O)CC2)CC1 ZINC000731760807 1073409532 /nfs/dbraw/zinc/40/95/32/1073409532.db2.gz AWFSNRNKYATSRQ-UHFFFAOYSA-N 0 3 431.603 -0.309 20 0 IBADHN CCNS(=O)(=O)CCNC(=O)C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1 ZINC000731763542 1073410303 /nfs/dbraw/zinc/41/03/03/1073410303.db2.gz OXAJZPMKNIROPZ-UHFFFAOYSA-N 0 3 427.483 -0.850 20 0 IBADHN CCNS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(CN2CCN(CC)CC2)cc1 ZINC000731763937 1073410885 /nfs/dbraw/zinc/41/08/85/1073410885.db2.gz ZQCBXTSQNHFAOE-UHFFFAOYSA-N 0 3 425.555 -0.182 20 0 IBADHN CN(CCCN1CCN(C)CC1)C(=O)Cn1cnc2c(c(Br)nn2C)c1=O ZINC000732115217 1073420936 /nfs/dbraw/zinc/42/09/36/1073420936.db2.gz ZHWCXVQYLZTNGC-UHFFFAOYSA-N 0 3 440.346 -0.012 20 0 IBADHN CN(CCO)S(=O)(=O)c1ccccc1CNC(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000733040270 1073441670 /nfs/dbraw/zinc/44/16/70/1073441670.db2.gz LBCBCLBLWUKREN-DLBZAZTESA-N 0 3 426.539 -0.038 20 0 IBADHN CN(CCO)S(=O)(=O)c1ccccc1CNC(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000733040271 1073441552 /nfs/dbraw/zinc/44/15/52/1073441552.db2.gz LBCBCLBLWUKREN-IAGOWNOFSA-N 0 3 426.539 -0.038 20 0 IBADHN CN(CCO)S(=O)(=O)c1ccccc1CNC(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000733040272 1073441430 /nfs/dbraw/zinc/44/14/30/1073441430.db2.gz LBCBCLBLWUKREN-IRXDYDNUSA-N 0 3 426.539 -0.038 20 0 IBADHN CN(CCO)S(=O)(=O)c1ccccc1CNC(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000733040273 1073441373 /nfs/dbraw/zinc/44/13/73/1073441373.db2.gz LBCBCLBLWUKREN-SJORKVTESA-N 0 3 426.539 -0.038 20 0 IBADHN CCN1CCN(c2ccc(NC(=O)COC(=O)CN3C(=O)C(=O)N(C)C3=O)cc2)CC1 ZINC000733563463 1073449940 /nfs/dbraw/zinc/44/99/40/1073449940.db2.gz ARVHMZBGGZPJSH-UHFFFAOYSA-N 0 3 431.449 -0.269 20 0 IBADHN Cc1ccccc1CN1CCCN(C(=O)COC(=O)CN2C(=O)C(=O)N(C)C2=O)CC1 ZINC000733564339 1073450789 /nfs/dbraw/zinc/45/07/89/1073450789.db2.gz JDGQJVVMZOEZNZ-UHFFFAOYSA-N 0 3 430.461 -0.007 20 0 IBADHN CN(C)C(=O)CN1CCN(C(=O)CN[C@]2(CO)CCCN(Cc3ccccc3)C2)CC1 ZINC000733999570 1073463999 /nfs/dbraw/zinc/46/39/99/1073463999.db2.gz JDRZEOCMUGCYLN-HSZRJFAPSA-N 0 3 431.581 -0.165 20 0 IBADHN CN(C)C(=O)CN1CCN(C(=O)CN[C@@]2(CO)CCCN(Cc3ccccc3)C2)CC1 ZINC000733999575 1073463802 /nfs/dbraw/zinc/46/38/02/1073463802.db2.gz JDRZEOCMUGCYLN-QHCPKHFHSA-N 0 3 431.581 -0.165 20 0 IBADHN COC(=O)/C=C1\SCC(=O)N1CCCN[C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 ZINC000734838962 1073474743 /nfs/dbraw/zinc/47/47/43/1073474743.db2.gz TZFWEQJXFCGOHS-PHJLPTPPSA-N 0 3 433.552 -0.946 20 0 IBADHN COC(=O)/C=C1\SCC(=O)N1CCCN[C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 ZINC000734838964 1073474824 /nfs/dbraw/zinc/47/48/24/1073474824.db2.gz TZFWEQJXFCGOHS-SHLZMMBASA-N 0 3 433.552 -0.946 20 0 IBADHN CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000735588118 1073489859 /nfs/dbraw/zinc/48/98/59/1073489859.db2.gz ABARRSSPOVXKFD-CVEARBPZSA-N 0 3 436.534 -0.195 20 0 IBADHN CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000735588122 1073489945 /nfs/dbraw/zinc/48/99/45/1073489945.db2.gz ABARRSSPOVXKFD-HOTGVXAUSA-N 0 3 436.534 -0.195 20 0 IBADHN CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000735588125 1073489954 /nfs/dbraw/zinc/48/99/54/1073489954.db2.gz ABARRSSPOVXKFD-HZPDHXFCSA-N 0 3 436.534 -0.195 20 0 IBADHN CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000735588128 1073489918 /nfs/dbraw/zinc/48/99/18/1073489918.db2.gz ABARRSSPOVXKFD-JKSUJKDBSA-N 0 3 436.534 -0.195 20 0 IBADHN CN1CCN(C(=O)c2ccc(NC(=O)C(=O)NC[C@H]3CN4CCC[C@@H]4CO3)cc2)CC1 ZINC000735588873 1073489829 /nfs/dbraw/zinc/48/98/29/1073489829.db2.gz DSMYDKKEZZYOIX-MOPGFXCFSA-N 0 3 429.521 -0.008 20 0 IBADHN CN1CCN(C(=O)c2ccc(NC(=O)C(=O)NC[C@H]3CN4CCC[C@H]4CO3)cc2)CC1 ZINC000735588874 1073489901 /nfs/dbraw/zinc/48/99/01/1073489901.db2.gz DSMYDKKEZZYOIX-OALUTQOASA-N 0 3 429.521 -0.008 20 0 IBADHN CN1CCN(C(=O)c2ccc(NC(=O)C(=O)NC[C@@H]3CN4CCC[C@H]4CO3)cc2)CC1 ZINC000735588875 1073489970 /nfs/dbraw/zinc/48/99/70/1073489970.db2.gz DSMYDKKEZZYOIX-RBUKOAKNSA-N 0 3 429.521 -0.008 20 0 IBADHN CN1CCN(C(=O)c2ccc(NC(=O)C(=O)NC[C@@H]3CN4CCC[C@@H]4CO3)cc2)CC1 ZINC000735588876 1073489937 /nfs/dbraw/zinc/48/99/37/1073489937.db2.gz DSMYDKKEZZYOIX-RTBURBONSA-N 0 3 429.521 -0.008 20 0 IBADHN COC(=O)CCNC(=O)c1ccc(NC(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)cc1 ZINC000735589677 1073490644 /nfs/dbraw/zinc/49/06/44/1073490644.db2.gz JUQAUOCDHGMFRW-DLBZAZTESA-N 0 3 432.477 -0.103 20 0 IBADHN COC(=O)CCNC(=O)c1ccc(NC(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)cc1 ZINC000735589686 1073490682 /nfs/dbraw/zinc/49/06/82/1073490682.db2.gz JUQAUOCDHGMFRW-IAGOWNOFSA-N 0 3 432.477 -0.103 20 0 IBADHN COC(=O)CCNC(=O)c1ccc(NC(=O)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)cc1 ZINC000735589688 1073490483 /nfs/dbraw/zinc/49/04/83/1073490483.db2.gz JUQAUOCDHGMFRW-IRXDYDNUSA-N 0 3 432.477 -0.103 20 0 IBADHN COC(=O)CCNC(=O)c1ccc(NC(=O)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)cc1 ZINC000735589690 1073490554 /nfs/dbraw/zinc/49/05/54/1073490554.db2.gz JUQAUOCDHGMFRW-SJORKVTESA-N 0 3 432.477 -0.103 20 0 IBADHN O=C(CN1CCOCC1)Nc1ccc(NC(=O)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)cc1 ZINC000735589901 1073489888 /nfs/dbraw/zinc/48/98/88/1073489888.db2.gz MERPLNIVBLPNMU-MOPGFXCFSA-N 0 3 445.520 -0.125 20 0 IBADHN O=C(CN1CCOCC1)Nc1ccc(NC(=O)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)cc1 ZINC000735589902 1073490662 /nfs/dbraw/zinc/49/06/62/1073490662.db2.gz MERPLNIVBLPNMU-OALUTQOASA-N 0 3 445.520 -0.125 20 0 IBADHN O=C(CN1CCOCC1)Nc1ccc(NC(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)cc1 ZINC000735589903 1073490600 /nfs/dbraw/zinc/49/06/00/1073490600.db2.gz MERPLNIVBLPNMU-RBUKOAKNSA-N 0 3 445.520 -0.125 20 0 IBADHN O=C(CN1CCOCC1)Nc1ccc(NC(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)cc1 ZINC000735589904 1073490579 /nfs/dbraw/zinc/49/05/79/1073490579.db2.gz MERPLNIVBLPNMU-RTBURBONSA-N 0 3 445.520 -0.125 20 0 IBADHN COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000735590553 1073491294 /nfs/dbraw/zinc/49/12/94/1073491294.db2.gz RHJCQLSOUDTKSC-KBPBESRZSA-N 0 3 440.522 -0.137 20 0 IBADHN COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000735590555 1073491272 /nfs/dbraw/zinc/49/12/72/1073491272.db2.gz RHJCQLSOUDTKSC-KGLIPLIRSA-N 0 3 440.522 -0.137 20 0 IBADHN COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000735590556 1073491343 /nfs/dbraw/zinc/49/13/43/1073491343.db2.gz RHJCQLSOUDTKSC-UONOGXRCSA-N 0 3 440.522 -0.137 20 0 IBADHN COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000735590559 1073491377 /nfs/dbraw/zinc/49/13/77/1073491377.db2.gz RHJCQLSOUDTKSC-ZIAGYGMSSA-N 0 3 440.522 -0.137 20 0 IBADHN CON(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)cc1 ZINC000735590580 1073491247 /nfs/dbraw/zinc/49/12/47/1073491247.db2.gz RLZQYDXYHHTYHA-CABCVRRESA-N 0 3 426.495 -0.214 20 0 IBADHN CON(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)cc1 ZINC000735590582 1073491284 /nfs/dbraw/zinc/49/12/84/1073491284.db2.gz RLZQYDXYHHTYHA-GJZGRUSLSA-N 0 3 426.495 -0.214 20 0 IBADHN CON(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)cc1 ZINC000735590583 1073491320 /nfs/dbraw/zinc/49/13/20/1073491320.db2.gz RLZQYDXYHHTYHA-HUUCEWRRSA-N 0 3 426.495 -0.214 20 0 IBADHN CON(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)cc1 ZINC000735590584 1073491304 /nfs/dbraw/zinc/49/13/04/1073491304.db2.gz RLZQYDXYHHTYHA-LSDHHAIUSA-N 0 3 426.495 -0.214 20 0 IBADHN CN1CCN(C(=O)c2ccccc2NC(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)CC1 ZINC000735590972 1073491404 /nfs/dbraw/zinc/49/14/04/1073491404.db2.gz VLMGULQFOJWZNG-DLBZAZTESA-N 0 3 429.521 -0.008 20 0 IBADHN CN1CCN(C(=O)c2ccccc2NC(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000735590973 1073491365 /nfs/dbraw/zinc/49/13/65/1073491365.db2.gz VLMGULQFOJWZNG-IAGOWNOFSA-N 0 3 429.521 -0.008 20 0 IBADHN CN1CCN(C(=O)c2ccccc2NC(=O)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)CC1 ZINC000735590974 1073491426 /nfs/dbraw/zinc/49/14/26/1073491426.db2.gz VLMGULQFOJWZNG-IRXDYDNUSA-N 0 3 429.521 -0.008 20 0 IBADHN CN1CCN(C(=O)c2ccccc2NC(=O)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000735590975 1073491234 /nfs/dbraw/zinc/49/12/34/1073491234.db2.gz VLMGULQFOJWZNG-SJORKVTESA-N 0 3 429.521 -0.008 20 0 IBADHN COC(=O)CNC(=O)Cc1ccc(NC(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)cc1 ZINC000735592461 1073491257 /nfs/dbraw/zinc/49/12/57/1073491257.db2.gz FLYIWPYWTAOGQC-DLBZAZTESA-N 0 3 432.477 -0.564 20 0 IBADHN COC(=O)CNC(=O)Cc1ccc(NC(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)cc1 ZINC000735592462 1073492226 /nfs/dbraw/zinc/49/22/26/1073492226.db2.gz FLYIWPYWTAOGQC-IAGOWNOFSA-N 0 3 432.477 -0.564 20 0 IBADHN COC(=O)CNC(=O)Cc1ccc(NC(=O)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)cc1 ZINC000735592463 1073492045 /nfs/dbraw/zinc/49/20/45/1073492045.db2.gz FLYIWPYWTAOGQC-IRXDYDNUSA-N 0 3 432.477 -0.564 20 0 IBADHN COC(=O)CNC(=O)Cc1ccc(NC(=O)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)cc1 ZINC000735592464 1073492294 /nfs/dbraw/zinc/49/22/94/1073492294.db2.gz FLYIWPYWTAOGQC-SJORKVTESA-N 0 3 432.477 -0.564 20 0 IBADHN CN1CCN(C(=O)Cc2ccc(NC(=O)C(=O)NC[C@H]3CN4CCC[C@H]4CO3)cc2)CC1 ZINC000735595829 1073492323 /nfs/dbraw/zinc/49/23/23/1073492323.db2.gz PTOTZLRCCBFCIU-PMACEKPBSA-N 0 3 443.548 -0.079 20 0 IBADHN CN1CCN(C(=O)Cc2ccc(NC(=O)C(=O)NC[C@H]3CN4CCC[C@@H]4CO3)cc2)CC1 ZINC000735595832 1073492008 /nfs/dbraw/zinc/49/20/08/1073492008.db2.gz PTOTZLRCCBFCIU-UXHICEINSA-N 0 3 443.548 -0.079 20 0 IBADHN CN1CCN(C(=O)Cc2ccc(NC(=O)C(=O)NC[C@@H]3CN4CCC[C@H]4CO3)cc2)CC1 ZINC000735595834 1073492369 /nfs/dbraw/zinc/49/23/69/1073492369.db2.gz PTOTZLRCCBFCIU-VQTJNVASSA-N 0 3 443.548 -0.079 20 0 IBADHN CN1CCN(C(=O)Cc2ccc(NC(=O)C(=O)NC[C@@H]3CN4CCC[C@@H]4CO3)cc2)CC1 ZINC000735595837 1073492245 /nfs/dbraw/zinc/49/22/45/1073492245.db2.gz PTOTZLRCCBFCIU-WOJBJXKFSA-N 0 3 443.548 -0.079 20 0 IBADHN O=C(NC[C@H]1CN2CCC[C@@H]2CO1)C(=O)Nc1cccc(N2CCS(=O)(=O)CC2)c1 ZINC000735597696 1073492138 /nfs/dbraw/zinc/49/21/38/1073492138.db2.gz XKEREYXEJZCXQB-MSOLQXFVSA-N 0 3 436.534 -0.161 20 0 IBADHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)C(=O)Nc1cccc(N2CCS(=O)(=O)CC2)c1 ZINC000735597697 1073492112 /nfs/dbraw/zinc/49/21/12/1073492112.db2.gz XKEREYXEJZCXQB-QZTJIDSGSA-N 0 3 436.534 -0.161 20 0 IBADHN O=C(NC[C@H]1CN2CCC[C@H]2CO1)C(=O)Nc1cccc(N2CCS(=O)(=O)CC2)c1 ZINC000735597698 1073492095 /nfs/dbraw/zinc/49/20/95/1073492095.db2.gz XKEREYXEJZCXQB-ROUUACIJSA-N 0 3 436.534 -0.161 20 0 IBADHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)C(=O)Nc1cccc(N2CCS(=O)(=O)CC2)c1 ZINC000735597699 1073492030 /nfs/dbraw/zinc/49/20/30/1073492030.db2.gz XKEREYXEJZCXQB-ZWKOTPCHSA-N 0 3 436.534 -0.161 20 0 IBADHN CON(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@H](C)CN2CCN(C)CC2)cc1 ZINC000735887067 1073499276 /nfs/dbraw/zinc/49/92/76/1073499276.db2.gz OCWBGWUYBHULLL-HNNXBMFYSA-N 0 3 441.554 -0.193 20 0 IBADHN CON(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@@H](C)CN2CCN(C)CC2)cc1 ZINC000735887070 1073499338 /nfs/dbraw/zinc/49/93/38/1073499338.db2.gz OCWBGWUYBHULLL-OAHLLOKOSA-N 0 3 441.554 -0.193 20 0 IBADHN CCN1CCN(c2ccc(NC(=O)C(=O)NCC(=O)N3CCC[C@@H]3C(=O)NC)cc2)CC1 ZINC000737287263 1073509829 /nfs/dbraw/zinc/50/98/29/1073509829.db2.gz BRQJOGKPLVXWBH-GOSISDBHSA-N 0 3 444.536 -0.380 20 0 IBADHN CCN1CCN(c2ccc(NC(=O)C(=O)NCC(=O)N3CCC[C@H]3C(=O)NC)cc2)CC1 ZINC000737287264 1073509786 /nfs/dbraw/zinc/50/97/86/1073509786.db2.gz BRQJOGKPLVXWBH-SFHVURJKSA-N 0 3 444.536 -0.380 20 0 IBADHN CN(CCn1cnc2c1c(=O)n(C)c(=O)n2C)CCN1CCN(C(=O)OC(C)(C)C)CC1 ZINC000738325818 1073513275 /nfs/dbraw/zinc/51/32/75/1073513275.db2.gz IRCIWMVKYRETNE-UHFFFAOYSA-N 0 3 449.556 -0.082 20 0 IBADHN CC(C)(C)OC(=O)N1CCN(CC(=O)N2CCN(C(=O)CN3CCCC3)CC2)C(=O)C1 ZINC000741212739 1073525189 /nfs/dbraw/zinc/52/51/89/1073525189.db2.gz SYGPSNULQXRSFV-UHFFFAOYSA-N 0 3 437.541 -0.168 20 0 IBADHN Cn1cc(S(=O)(=O)N2CCC(NC(=O)NC[C@H]3CN4CCC[C@@H]4CO3)CC2)cn1 ZINC000741274343 1073527999 /nfs/dbraw/zinc/52/79/99/1073527999.db2.gz DYCIJIBOJJCLNE-CVEARBPZSA-N 0 3 426.543 -0.264 20 0 IBADHN Cn1cc(S(=O)(=O)N2CCC(NC(=O)NC[C@H]3CN4CCC[C@H]4CO3)CC2)cn1 ZINC000741274344 1073527930 /nfs/dbraw/zinc/52/79/30/1073527930.db2.gz DYCIJIBOJJCLNE-HOTGVXAUSA-N 0 3 426.543 -0.264 20 0 IBADHN Cn1cc(S(=O)(=O)N2CCC(NC(=O)NC[C@@H]3CN4CCC[C@@H]4CO3)CC2)cn1 ZINC000741274345 1073527898 /nfs/dbraw/zinc/52/78/98/1073527898.db2.gz DYCIJIBOJJCLNE-HZPDHXFCSA-N 0 3 426.543 -0.264 20 0 IBADHN Cn1cc(S(=O)(=O)N2CCC(NC(=O)NC[C@@H]3CN4CCC[C@H]4CO3)CC2)cn1 ZINC000741274346 1073528128 /nfs/dbraw/zinc/52/81/28/1073528128.db2.gz DYCIJIBOJJCLNE-JKSUJKDBSA-N 0 3 426.543 -0.264 20 0 IBADHN O=C(NCCS(=O)(=O)N1CCOCC1)NC[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000741412071 1073531679 /nfs/dbraw/zinc/53/16/79/1073531679.db2.gz YGQPAEDCSYOSCV-IBGZPJMESA-N 0 3 426.539 -0.415 20 0 IBADHN O=C(NCCS(=O)(=O)N1CCOCC1)NC[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000741412075 1073531551 /nfs/dbraw/zinc/53/15/51/1073531551.db2.gz YGQPAEDCSYOSCV-LJQANCHMSA-N 0 3 426.539 -0.415 20 0 IBADHN CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)NC[C@H]2CN3CCC[C@H]3CO2)s1 ZINC000741748120 1073535715 /nfs/dbraw/zinc/53/57/15/1073535715.db2.gz SCUKQHFJRNUQPA-KBPBESRZSA-N 0 3 430.552 -0.358 20 0 IBADHN CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)NC[C@H]2CN3CCC[C@@H]3CO2)s1 ZINC000741748121 1073535862 /nfs/dbraw/zinc/53/58/62/1073535862.db2.gz SCUKQHFJRNUQPA-KGLIPLIRSA-N 0 3 430.552 -0.358 20 0 IBADHN CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)NC[C@@H]2CN3CCC[C@H]3CO2)s1 ZINC000741748122 1073535646 /nfs/dbraw/zinc/53/56/46/1073535646.db2.gz SCUKQHFJRNUQPA-UONOGXRCSA-N 0 3 430.552 -0.358 20 0 IBADHN CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)s1 ZINC000741748124 1073535558 /nfs/dbraw/zinc/53/55/58/1073535558.db2.gz SCUKQHFJRNUQPA-ZIAGYGMSSA-N 0 3 430.552 -0.358 20 0 IBADHN CN1CCC2(CC1)NC(=O)N(CN1CCN(S(=O)(=O)Cc3ccon3)CC1)C2=O ZINC000743380767 1073548274 /nfs/dbraw/zinc/54/82/74/1073548274.db2.gz OXFYMTYNYLOHDJ-UHFFFAOYSA-N 0 3 426.499 -0.904 20 0 IBADHN CN(C)CCNC(=O)C(=O)Nc1ccc(N2CCN(S(=O)(=O)C(F)F)CC2)cc1 ZINC000743906340 1073554352 /nfs/dbraw/zinc/55/43/52/1073554352.db2.gz QRTUWZUGEWASMT-UHFFFAOYSA-N 0 3 433.481 -0.023 20 0 IBADHN CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NC[C@H]1CN3CCC[C@@H]3CO1)CC2 ZINC000743913691 1073553175 /nfs/dbraw/zinc/55/31/75/1073553175.db2.gz GXOAUIRKKUHRTA-CVEARBPZSA-N 0 3 436.534 -0.147 20 0 IBADHN CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NC[C@H]1CN3CCC[C@H]3CO1)CC2 ZINC000743913692 1073553100 /nfs/dbraw/zinc/55/31/00/1073553100.db2.gz GXOAUIRKKUHRTA-HOTGVXAUSA-N 0 3 436.534 -0.147 20 0 IBADHN CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NC[C@@H]1CN3CCC[C@@H]3CO1)CC2 ZINC000743913693 1073552978 /nfs/dbraw/zinc/55/29/78/1073552978.db2.gz GXOAUIRKKUHRTA-HZPDHXFCSA-N 0 3 436.534 -0.147 20 0 IBADHN CCNS(=O)(=O)c1ccc2c(c1)N(C(=O)C(=O)NC[C@@H]1CN3CCC[C@H]3CO1)CC2 ZINC000743913694 1073553134 /nfs/dbraw/zinc/55/31/34/1073553134.db2.gz GXOAUIRKKUHRTA-JKSUJKDBSA-N 0 3 436.534 -0.147 20 0 IBADHN CCN1CCN(c2ccc(NC(=O)C(=O)NCCOCCS(C)(=O)=O)cc2)CC1 ZINC000743928579 1073555055 /nfs/dbraw/zinc/55/50/55/1073555055.db2.gz OMQPCJCIYCRMFP-UHFFFAOYSA-N 0 3 426.539 -0.056 20 0 IBADHN COCCCN(C)CCNC(=O)C(=O)N1CCc2cc(S(=O)(=O)N(C)C)ccc21 ZINC000743935823 1073554157 /nfs/dbraw/zinc/55/41/57/1073554157.db2.gz XEBZUEFOSDHIQV-UHFFFAOYSA-N 0 3 426.539 -0.090 20 0 IBADHN C[C@H]1CCCN1CCNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000743980450 1073555997 /nfs/dbraw/zinc/55/59/97/1073555997.db2.gz MOPKYRTXKRVFCU-AWEZNQCLSA-N 0 3 437.522 -0.654 20 0 IBADHN C[C@@H]1CCCN1CCNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000743980462 1073555867 /nfs/dbraw/zinc/55/58/67/1073555867.db2.gz MOPKYRTXKRVFCU-CQSZACIVSA-N 0 3 437.522 -0.654 20 0 IBADHN C[C@H]1CCCN1CCNC(=O)C(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)nc1 ZINC000743981893 1073556062 /nfs/dbraw/zinc/55/60/62/1073556062.db2.gz VBMHDLFKEQCDGS-HNNXBMFYSA-N 0 3 438.554 -0.298 20 0 IBADHN C[C@@H]1CCCN1CCNC(=O)C(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)nc1 ZINC000743981894 1073555948 /nfs/dbraw/zinc/55/59/48/1073555948.db2.gz VBMHDLFKEQCDGS-OAHLLOKOSA-N 0 3 438.554 -0.298 20 0 IBADHN O=C(COC(=O)c1ccc(S(=O)(=O)[N-]CCO)s1)NC1CC[NH+](C2CC2)CC1 ZINC000745151643 1073570635 /nfs/dbraw/zinc/57/06/35/1073570635.db2.gz OKQDZFJOVIZJAR-UHFFFAOYSA-N 0 3 431.536 -0.082 20 0 IBADHN C[C@H]1CCN(CCNC(=O)C(=O)Nc2ccc(S(=O)(=O)CCS(C)(=O)=O)cc2)C1 ZINC000746046298 1073582805 /nfs/dbraw/zinc/58/28/05/1073582805.db2.gz WJZLQARUULIHQS-AWEZNQCLSA-N 0 3 445.563 -0.099 20 0 IBADHN C[C@@H]1CCN(CCNC(=O)C(=O)Nc2ccc(S(=O)(=O)CCS(C)(=O)=O)cc2)C1 ZINC000746046299 1073582696 /nfs/dbraw/zinc/58/26/96/1073582696.db2.gz WJZLQARUULIHQS-CQSZACIVSA-N 0 3 445.563 -0.099 20 0 IBADHN CN(C)CCN1C[C@@H](C(=O)N2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)CC1=O ZINC000746131405 1073583259 /nfs/dbraw/zinc/58/32/59/1073583259.db2.gz VNSJTCHOOOTAFS-HNNXBMFYSA-N 0 3 433.534 -0.310 20 0 IBADHN CN(C)CCN1C[C@H](C(=O)N2CCN(C3=NS(=O)(=O)c4ccccc43)CC2)CC1=O ZINC000746131407 1073583430 /nfs/dbraw/zinc/58/34/30/1073583430.db2.gz VNSJTCHOOOTAFS-OAHLLOKOSA-N 0 3 433.534 -0.310 20 0 IBADHN CN(C)CCN1C[C@@H](C(=O)N(C)CC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)CC1=O ZINC000746149181 1073583800 /nfs/dbraw/zinc/58/38/00/1073583800.db2.gz KWUXAYWJNJIURJ-INIZCTEOSA-N 0 3 439.557 -0.066 20 0 IBADHN CN(C)CCN1C[C@H](C(=O)N(C)CC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)CC1=O ZINC000746149193 1073583738 /nfs/dbraw/zinc/58/37/38/1073583738.db2.gz KWUXAYWJNJIURJ-MRXNPFEDSA-N 0 3 439.557 -0.066 20 0 IBADHN CN(C)CCN1C[C@@H](C(=O)NCC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)CC1=O ZINC000746150581 1073584259 /nfs/dbraw/zinc/58/42/59/1073584259.db2.gz VTBSPAPUERUUQR-HNNXBMFYSA-N 0 3 425.530 -0.408 20 0 IBADHN CN(C)CCN1C[C@H](C(=O)NCC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)CC1=O ZINC000746150585 1073584214 /nfs/dbraw/zinc/58/42/14/1073584214.db2.gz VTBSPAPUERUUQR-OAHLLOKOSA-N 0 3 425.530 -0.408 20 0 IBADHN CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NC[C@H]2CN3CCC[C@@H]3CO2)c1 ZINC000747234806 1073870808 /nfs/dbraw/zinc/87/08/08/1073870808.db2.gz ZJPNECMWZMRQCT-CVEARBPZSA-N 0 3 426.539 -0.142 20 0 IBADHN CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NC[C@H]2CN3CCC[C@H]3CO2)c1 ZINC000747234807 1073870625 /nfs/dbraw/zinc/87/06/25/1073870625.db2.gz ZJPNECMWZMRQCT-HOTGVXAUSA-N 0 3 426.539 -0.142 20 0 IBADHN CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)c1 ZINC000747234808 1073870680 /nfs/dbraw/zinc/87/06/80/1073870680.db2.gz ZJPNECMWZMRQCT-HZPDHXFCSA-N 0 3 426.539 -0.142 20 0 IBADHN CC(C)OCCS(=O)(=O)N1CCN(CN2C(=O)NC3(CCN(C)CC3)C2=O)CC1 ZINC000747468588 1073941616 /nfs/dbraw/zinc/94/16/16/1073941616.db2.gz FOMQQIFMQQAPKM-UHFFFAOYSA-N 0 3 431.559 -0.668 20 0 IBADHN O=C(NCCS(=O)(=O)N1CCOCC1)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000747586316 1073968786 /nfs/dbraw/zinc/96/87/86/1073968786.db2.gz WMKPLEOJOMYELB-MOPGFXCFSA-N 0 3 440.566 -0.169 20 0 IBADHN O=C(NCCS(=O)(=O)N1CCOCC1)N[C@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000747586321 1073968912 /nfs/dbraw/zinc/96/89/12/1073968912.db2.gz WMKPLEOJOMYELB-OALUTQOASA-N 0 3 440.566 -0.169 20 0 IBADHN O=C(NCCS(=O)(=O)N1CCOCC1)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC000747586323 1073968809 /nfs/dbraw/zinc/96/88/09/1073968809.db2.gz WMKPLEOJOMYELB-RBUKOAKNSA-N 0 3 440.566 -0.169 20 0 IBADHN O=C(NCCS(=O)(=O)N1CCOCC1)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC000747586325 1073968774 /nfs/dbraw/zinc/96/87/74/1073968774.db2.gz WMKPLEOJOMYELB-RTBURBONSA-N 0 3 440.566 -0.169 20 0 IBADHN COc1cccc([C@@]2(C)NC(=O)N(NC(=O)CSc3nnnn3CCN(C)C)C2=O)c1 ZINC000747808271 1073998514 /nfs/dbraw/zinc/99/85/14/1073998514.db2.gz CALOECUULAZSPQ-GOSISDBHSA-N 0 3 448.509 -0.166 20 0 IBADHN COc1cccc([C@]2(C)NC(=O)N(NC(=O)CSc3nnnn3CCN(C)C)C2=O)c1 ZINC000747808276 1073998452 /nfs/dbraw/zinc/99/84/52/1073998452.db2.gz CALOECUULAZSPQ-SFHVURJKSA-N 0 3 448.509 -0.166 20 0 IBADHN CN1CCN(Cc2ccc(CNC(=O)NCCS(=O)(=O)N3CCOCC3)cc2)CC1 ZINC000748092992 1070847611 /nfs/dbraw/zinc/84/76/11/1070847611.db2.gz NVBSUAFIVSEAIM-UHFFFAOYSA-N 0 3 439.582 -0.105 20 0 IBADHN COc1ccc(CN(C)C)cc1NC(=O)C(=O)NCCS(=O)(=O)N1CCOCC1 ZINC000748113866 1070864568 /nfs/dbraw/zinc/86/45/68/1070864568.db2.gz FZKYAVBPRJFHBU-UHFFFAOYSA-N 0 3 428.511 -0.527 20 0 IBADHN O=C(COc1ccccc1NC(=O)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1)N1CCOCC1 ZINC000748982606 1072726539 /nfs/dbraw/zinc/72/65/39/1072726539.db2.gz WSVLFBQSSYFEGI-DLBZAZTESA-N 0 3 446.504 -0.158 20 0 IBADHN O=C(COc1ccccc1NC(=O)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1)N1CCOCC1 ZINC000748982608 1072726653 /nfs/dbraw/zinc/72/66/53/1072726653.db2.gz WSVLFBQSSYFEGI-IAGOWNOFSA-N 0 3 446.504 -0.158 20 0 IBADHN O=C(COc1ccccc1NC(=O)C(=O)NC[C@H]1CN2CCC[C@H]2CO1)N1CCOCC1 ZINC000748982611 1072726570 /nfs/dbraw/zinc/72/65/70/1072726570.db2.gz WSVLFBQSSYFEGI-IRXDYDNUSA-N 0 3 446.504 -0.158 20 0 IBADHN O=C(COc1ccccc1NC(=O)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1)N1CCOCC1 ZINC000748982613 1072726476 /nfs/dbraw/zinc/72/64/76/1072726476.db2.gz WSVLFBQSSYFEGI-SJORKVTESA-N 0 3 446.504 -0.158 20 0 IBADHN COCCNS(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)cc1 ZINC000749649684 1072849614 /nfs/dbraw/zinc/84/96/14/1072849614.db2.gz GHPJUCCNEGZNCJ-CVEARBPZSA-N 0 3 440.522 -0.471 20 0 IBADHN COCCNS(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)cc1 ZINC000749649685 1072849468 /nfs/dbraw/zinc/84/94/68/1072849468.db2.gz GHPJUCCNEGZNCJ-HOTGVXAUSA-N 0 3 440.522 -0.471 20 0 IBADHN COCCNS(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)cc1 ZINC000749649686 1072849522 /nfs/dbraw/zinc/84/95/22/1072849522.db2.gz GHPJUCCNEGZNCJ-HZPDHXFCSA-N 0 3 440.522 -0.471 20 0 IBADHN COCCNS(=O)(=O)c1ccc(NC(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)cc1 ZINC000749649687 1072849649 /nfs/dbraw/zinc/84/96/49/1072849649.db2.gz GHPJUCCNEGZNCJ-JKSUJKDBSA-N 0 3 440.522 -0.471 20 0 IBADHN CN(C)S(=O)(=O)c1ccc(F)c(NC(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)c1 ZINC000749651648 1072849562 /nfs/dbraw/zinc/84/95/62/1072849562.db2.gz WCIOSQWUKOMOGR-CHWSQXEVSA-N 0 3 428.486 -0.006 20 0 IBADHN CN(C)S(=O)(=O)c1ccc(F)c(NC(=O)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)c1 ZINC000749651650 1072849909 /nfs/dbraw/zinc/84/99/09/1072849909.db2.gz WCIOSQWUKOMOGR-OLZOCXBDSA-N 0 3 428.486 -0.006 20 0 IBADHN CN(C)S(=O)(=O)c1ccc(F)c(NC(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)c1 ZINC000749651652 1072849725 /nfs/dbraw/zinc/84/97/25/1072849725.db2.gz WCIOSQWUKOMOGR-QWHCGFSZSA-N 0 3 428.486 -0.006 20 0 IBADHN CN(C)S(=O)(=O)c1ccc(F)c(NC(=O)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)c1 ZINC000749651653 1072849777 /nfs/dbraw/zinc/84/97/77/1072849777.db2.gz WCIOSQWUKOMOGR-STQMWFEESA-N 0 3 428.486 -0.006 20 0 IBADHN CN(C)CCN(CC(=O)OC(C)(C)C)C(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000750735146 1072871030 /nfs/dbraw/zinc/87/10/30/1072871030.db2.gz UIFKLVGUYSFOFD-AWEZNQCLSA-N 0 3 444.554 -0.116 20 0 IBADHN CN(C)CCN(CC(=O)OC(C)(C)C)C(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000750735147 1072870997 /nfs/dbraw/zinc/87/09/97/1072870997.db2.gz UIFKLVGUYSFOFD-CQSZACIVSA-N 0 3 444.554 -0.116 20 0 IBADHN COc1cccc([C@@]2(C)NC(=O)N(NC(=O)CN[C@@H](CC(N)=O)C3CCOCC3)C2=O)c1 ZINC000754504710 1072903789 /nfs/dbraw/zinc/90/37/89/1072903789.db2.gz ZTYLVCGRUIWUOP-HRAATJIYSA-N 0 3 447.492 -0.246 20 0 IBADHN COc1cccc([C@]2(C)NC(=O)N(NC(=O)CN[C@H](CC(N)=O)C3CCOCC3)C2=O)c1 ZINC000754504711 1072903514 /nfs/dbraw/zinc/90/35/14/1072903514.db2.gz ZTYLVCGRUIWUOP-IERDGZPVSA-N 0 3 447.492 -0.246 20 0 IBADHN COc1cccc([C@@]2(C)NC(=O)N(NC(=O)CN[C@H](CC(N)=O)C3CCOCC3)C2=O)c1 ZINC000754504712 1072903715 /nfs/dbraw/zinc/90/37/15/1072903715.db2.gz ZTYLVCGRUIWUOP-IIBYNOLFSA-N 0 3 447.492 -0.246 20 0 IBADHN COc1cccc([C@]2(C)NC(=O)N(NC(=O)CN[C@@H](CC(N)=O)C3CCOCC3)C2=O)c1 ZINC000754504713 1072903494 /nfs/dbraw/zinc/90/34/94/1072903494.db2.gz ZTYLVCGRUIWUOP-KKSFZXQISA-N 0 3 447.492 -0.246 20 0 IBADHN COc1ccc([C@@]2(C)NC(=O)N(NC(=O)CN[C@@H](CC(N)=O)C3CCOCC3)C2=O)cc1 ZINC000754506672 1072904389 /nfs/dbraw/zinc/90/43/89/1072904389.db2.gz YWYXXXBHLIEOIX-HRAATJIYSA-N 0 3 447.492 -0.246 20 0 IBADHN COc1ccc([C@]2(C)NC(=O)N(NC(=O)CN[C@H](CC(N)=O)C3CCOCC3)C2=O)cc1 ZINC000754506674 1072904356 /nfs/dbraw/zinc/90/43/56/1072904356.db2.gz YWYXXXBHLIEOIX-IERDGZPVSA-N 0 3 447.492 -0.246 20 0 IBADHN COc1ccc([C@@]2(C)NC(=O)N(NC(=O)CN[C@H](CC(N)=O)C3CCOCC3)C2=O)cc1 ZINC000754506677 1072904265 /nfs/dbraw/zinc/90/42/65/1072904265.db2.gz YWYXXXBHLIEOIX-IIBYNOLFSA-N 0 3 447.492 -0.246 20 0 IBADHN COc1ccc([C@]2(C)NC(=O)N(NC(=O)CN[C@@H](CC(N)=O)C3CCOCC3)C2=O)cc1 ZINC000754506679 1072904233 /nfs/dbraw/zinc/90/42/33/1072904233.db2.gz YWYXXXBHLIEOIX-KKSFZXQISA-N 0 3 447.492 -0.246 20 0 IBADHN CCN1CCN(c2ccc(NC(=O)CN3CCN(CCS(N)(=O)=O)CC3)cc2)CC1 ZINC000754664817 1072907108 /nfs/dbraw/zinc/90/71/08/1072907108.db2.gz LHYFEYKTCWUULT-UHFFFAOYSA-N 0 3 438.598 -0.327 20 0 IBADHN C[C@@H](NC1CCN(S(=O)(=O)C(F)(F)F)CC1)C(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000755994876 1072921092 /nfs/dbraw/zinc/92/10/92/1072921092.db2.gz JIQPVFQTTYFWLR-MRVPVSSYSA-N 0 3 441.432 -0.859 20 0 IBADHN C[C@H](NC1CCN(S(=O)(=O)C(F)(F)F)CC1)C(=O)c1c(N)n(C)c(=O)n(C)c1=O ZINC000755994888 1072921311 /nfs/dbraw/zinc/92/13/11/1072921311.db2.gz JIQPVFQTTYFWLR-QMMMGPOBSA-N 0 3 441.432 -0.859 20 0 IBADHN COc1cc(NC(=O)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)ccc1S(=O)(=O)N(C)C ZINC000757172700 1072934109 /nfs/dbraw/zinc/93/41/09/1072934109.db2.gz HNPQZSMIJTVBGW-CABCVRRESA-N 0 3 440.522 -0.137 20 0 IBADHN COc1cc(NC(=O)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)ccc1S(=O)(=O)N(C)C ZINC000757172701 1072934172 /nfs/dbraw/zinc/93/41/72/1072934172.db2.gz HNPQZSMIJTVBGW-GJZGRUSLSA-N 0 3 440.522 -0.137 20 0 IBADHN COc1cc(NC(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)ccc1S(=O)(=O)N(C)C ZINC000757172702 1072934340 /nfs/dbraw/zinc/93/43/40/1072934340.db2.gz HNPQZSMIJTVBGW-HUUCEWRRSA-N 0 3 440.522 -0.137 20 0 IBADHN COc1cc(NC(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)ccc1S(=O)(=O)N(C)C ZINC000757172706 1072934304 /nfs/dbraw/zinc/93/43/04/1072934304.db2.gz HNPQZSMIJTVBGW-LSDHHAIUSA-N 0 3 440.522 -0.137 20 0 IBADHN CNc1nc(N2CCN(c3nccn3C)CC2)nc(N2CCN(c3nccn3C)CC2)n1 ZINC000758271689 1072944146 /nfs/dbraw/zinc/94/41/46/1072944146.db2.gz VKKLJILBZNXZLL-UHFFFAOYSA-N 0 3 438.544 -0.545 20 0 IBADHN CCS(=O)(=O)CCN(C)C(=O)C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1 ZINC000759161537 1072954328 /nfs/dbraw/zinc/95/43/28/1072954328.db2.gz UOPIFZRPCBAWMD-UHFFFAOYSA-N 0 3 426.495 -0.012 20 0 IBADHN CCN1CCN(c2ccc(NC(=O)C(=O)NCCNS(=O)(=O)NC(C)C)cc2)CC1 ZINC000760368340 1072992217 /nfs/dbraw/zinc/99/22/17/1072992217.db2.gz PMFKDHJKCLPALL-UHFFFAOYSA-N 0 3 440.570 -0.284 20 0 IBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)Nc2cccn(CCS(C)(=O)=O)c2=O)CC1 ZINC000760784969 1072216386 /nfs/dbraw/zinc/21/63/86/1072216386.db2.gz IPLVKFGQYWEPQD-INIZCTEOSA-N 0 3 439.538 -0.337 20 0 IBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)Nc2cccn(CCS(C)(=O)=O)c2=O)CC1 ZINC000760784971 1072216311 /nfs/dbraw/zinc/21/63/11/1072216311.db2.gz IPLVKFGQYWEPQD-MRXNPFEDSA-N 0 3 439.538 -0.337 20 0 IBADHN CS(=O)(=O)CCn1cccc(NC(=O)N2CCN(C(=O)CN3CCCC3)CC2)c1=O ZINC000760792591 1072219408 /nfs/dbraw/zinc/21/94/08/1072219408.db2.gz BGQONEKPEAIPCI-UHFFFAOYSA-N 0 3 439.538 -0.335 20 0 IBADHN CCN(CC)CC(=O)N1CCN(C(=O)Nc2cccn(CCS(C)(=O)=O)c2=O)CC1 ZINC000760793338 1072219449 /nfs/dbraw/zinc/21/94/49/1072219449.db2.gz DALMWJHWRBGVNI-UHFFFAOYSA-N 0 3 441.554 -0.089 20 0 IBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)Nc1cccn(CCS(C)(=O)=O)c1=O ZINC000760796748 1072220983 /nfs/dbraw/zinc/22/09/83/1072220983.db2.gz ZIIZSHCNWNHCHF-INIZCTEOSA-N 0 3 441.554 -0.043 20 0 IBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)Nc1cccn(CCS(C)(=O)=O)c1=O ZINC000760796749 1072221035 /nfs/dbraw/zinc/22/10/35/1072221035.db2.gz ZIIZSHCNWNHCHF-MRXNPFEDSA-N 0 3 441.554 -0.043 20 0 IBADHN COC(=O)c1cn([C@@H]2CCN(CCC(=O)NN3C(=O)NC4(CCCCC4)C3=O)C2)nn1 ZINC000760878138 1072235894 /nfs/dbraw/zinc/23/58/94/1072235894.db2.gz BBEMDUXJQNERSX-CYBMUJFWSA-N 0 3 433.469 -0.013 20 0 IBADHN COC(=O)c1cn([C@H]2CCN(CCC(=O)NN3C(=O)NC4(CCCCC4)C3=O)C2)nn1 ZINC000760878141 1072235973 /nfs/dbraw/zinc/23/59/73/1072235973.db2.gz BBEMDUXJQNERSX-ZDUSSCGKSA-N 0 3 433.469 -0.013 20 0 IBADHN C[C@@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)NC[C@@H]3CN4CCC[C@H]4CO3)cn2)C[C@H](C)O1 ZINC000762451230 1072691508 /nfs/dbraw/zinc/69/15/08/1072691508.db2.gz PEWUTTBNPWDMNM-CIRFHOKZSA-N 0 3 448.524 -0.563 20 0 IBADHN C[C@@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)NC[C@@H]3CN4CCC[C@@H]4CO3)cn2)C[C@H](C)O1 ZINC000762451236 1072691391 /nfs/dbraw/zinc/69/13/91/1072691391.db2.gz PEWUTTBNPWDMNM-CYGHRXIMSA-N 0 3 448.524 -0.563 20 0 IBADHN C[C@@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)NC[C@@H]3CN4CCC[C@@H]4CO3)cn2)C[C@@H](C)O1 ZINC000762451241 1072691458 /nfs/dbraw/zinc/69/14/58/1072691458.db2.gz PEWUTTBNPWDMNM-JOCBIADPSA-N 0 3 448.524 -0.563 20 0 IBADHN C[C@@H]1CN(C(=O)Cn2cc(NC(=O)C(=O)NC[C@@H]3CN4CCC[C@H]4CO3)cn2)C[C@@H](C)O1 ZINC000762451247 1072691474 /nfs/dbraw/zinc/69/14/74/1072691474.db2.gz PEWUTTBNPWDMNM-XYVMCAHJSA-N 0 3 448.524 -0.563 20 0 IBADHN O=C(NC[C@@H](O)CN1CCc2ccccc2C1)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000762982194 1072715560 /nfs/dbraw/zinc/71/55/60/1072715560.db2.gz UBLKVUMAAASBFN-QZTJIDSGSA-N 0 3 448.545 -0.313 20 0 IBADHN O=C(NC[C@@H](O)CN1CCc2ccccc2C1)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000762982196 1072715533 /nfs/dbraw/zinc/71/55/33/1072715533.db2.gz UBLKVUMAAASBFN-ZWKOTPCHSA-N 0 3 448.545 -0.313 20 0 IBADHN CNc1nc(N(C)CC(C)(C)S(C)(=O)=O)nc(N(C)CC(C)(C)S(C)(=O)=O)n1 ZINC000764178205 1073069244 /nfs/dbraw/zinc/06/92/44/1073069244.db2.gz COIYUYHTGVEWFJ-UHFFFAOYSA-N 0 3 436.604 -0.146 20 0 IBADHN NC(=O)C1CCN(Cc2cccc(NC(=O)C(=O)N3CCN4C(=O)OC[C@@H]4C3)c2)CC1 ZINC000764295334 1073070490 /nfs/dbraw/zinc/07/04/90/1073070490.db2.gz LGRWBDMYIDWCLE-KRWDZBQOSA-N 0 3 429.477 -0.015 20 0 IBADHN NC(=O)C1CCN(Cc2cccc(NC(=O)C(=O)N3CCN4C(=O)OC[C@H]4C3)c2)CC1 ZINC000764295335 1073070511 /nfs/dbraw/zinc/07/05/11/1073070511.db2.gz LGRWBDMYIDWCLE-QGZVFWFLSA-N 0 3 429.477 -0.015 20 0 IBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=S)NCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000764503118 1073072341 /nfs/dbraw/zinc/07/23/41/1073072341.db2.gz KONLKFHQRXKONY-INIZCTEOSA-N 0 3 425.580 -0.053 20 0 IBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=S)NCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000764503120 1073072151 /nfs/dbraw/zinc/07/21/51/1073072151.db2.gz KONLKFHQRXKONY-MRXNPFEDSA-N 0 3 425.580 -0.053 20 0 IBADHN Cc1nc(S(=O)(=O)N2CCN(CN3C(=O)NC4(CCN(C)CC4)C3=O)CC2)cn1C ZINC000765445225 1073078408 /nfs/dbraw/zinc/07/84/08/1073078408.db2.gz MZJXDGPTGBHENI-UHFFFAOYSA-N 0 3 439.542 -0.991 20 0 IBADHN Cc1nc(S(=O)(=O)N2CCN(C(=O)NC[C@H]3CN4CCC[C@@H]4CO3)CC2)cn1C ZINC000765758331 1073106287 /nfs/dbraw/zinc/10/62/87/1073106287.db2.gz JHXBSOMSSBWJAO-CVEARBPZSA-N 0 3 426.543 -0.392 20 0 IBADHN Cc1nc(S(=O)(=O)N2CCN(C(=O)NC[C@H]3CN4CCC[C@H]4CO3)CC2)cn1C ZINC000765758333 1073106369 /nfs/dbraw/zinc/10/63/69/1073106369.db2.gz JHXBSOMSSBWJAO-HOTGVXAUSA-N 0 3 426.543 -0.392 20 0 IBADHN Cc1nc(S(=O)(=O)N2CCN(C(=O)NC[C@@H]3CN4CCC[C@@H]4CO3)CC2)cn1C ZINC000765758334 1073106404 /nfs/dbraw/zinc/10/64/04/1073106404.db2.gz JHXBSOMSSBWJAO-HZPDHXFCSA-N 0 3 426.543 -0.392 20 0 IBADHN Cc1nc(S(=O)(=O)N2CCN(C(=O)NC[C@@H]3CN4CCC[C@H]4CO3)CC2)cn1C ZINC000765758336 1073106420 /nfs/dbraw/zinc/10/64/20/1073106420.db2.gz JHXBSOMSSBWJAO-JKSUJKDBSA-N 0 3 426.543 -0.392 20 0 IBADHN CN(CC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1)C1=NS(=O)(=O)c2ccccc21 ZINC000766333104 1073577832 /nfs/dbraw/zinc/57/78/32/1073577832.db2.gz FYAYFQVSIKPWMV-INIZCTEOSA-N 0 3 433.534 -0.168 20 0 IBADHN CN(CC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1)C1=NS(=O)(=O)c2ccccc21 ZINC000766333107 1073577780 /nfs/dbraw/zinc/57/77/80/1073577780.db2.gz FYAYFQVSIKPWMV-MRXNPFEDSA-N 0 3 433.534 -0.168 20 0 IBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)[C@H](CC(N)=O)NC(=O)OCc2ccccc2)CC1 ZINC000766340195 1073587733 /nfs/dbraw/zinc/58/77/33/1073587733.db2.gz QLSJYNVPEOUHSU-ROUUACIJSA-N 0 3 445.520 -0.078 20 0 IBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@H](CC(N)=O)NC(=O)OCc2ccccc2)CC1 ZINC000766340199 1073587780 /nfs/dbraw/zinc/58/77/80/1073587780.db2.gz QLSJYNVPEOUHSU-ZWKOTPCHSA-N 0 3 445.520 -0.078 20 0 IBADHN CCn1c(=O)c2ccccc2n(CC(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)c1=O ZINC000766344790 1073587590 /nfs/dbraw/zinc/58/75/90/1073587590.db2.gz FROXOLQEABHIAN-GOSISDBHSA-N 0 3 427.505 -0.052 20 0 IBADHN CCn1c(=O)c2ccccc2n(CC(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)c1=O ZINC000766344791 1073587448 /nfs/dbraw/zinc/58/74/48/1073587448.db2.gz FROXOLQEABHIAN-SFHVURJKSA-N 0 3 427.505 -0.052 20 0 IBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)CN2CCN(C(=O)OC(C)(C)C)CC2=O)CC1 ZINC000766345231 1073588202 /nfs/dbraw/zinc/58/82/02/1073588202.db2.gz HQKIVDJCXRUSRP-INIZCTEOSA-N 0 3 437.541 -0.169 20 0 IBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)CN2CCN(C(=O)OC(C)(C)C)CC2=O)CC1 ZINC000766345233 1073588332 /nfs/dbraw/zinc/58/83/32/1073588332.db2.gz HQKIVDJCXRUSRP-MRXNPFEDSA-N 0 3 437.541 -0.169 20 0 IBADHN COCC(=O)Nc1ccc(NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)cc1 ZINC000766600822 1073595010 /nfs/dbraw/zinc/59/50/10/1073595010.db2.gz GQCJTRWKLOJSOS-KRWDZBQOSA-N 0 3 431.493 -0.025 20 0 IBADHN COCC(=O)Nc1ccc(NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)cc1 ZINC000766600823 1073595153 /nfs/dbraw/zinc/59/51/53/1073595153.db2.gz GQCJTRWKLOJSOS-QGZVFWFLSA-N 0 3 431.493 -0.025 20 0 IBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)cc2)CC1 ZINC000766601252 1073595102 /nfs/dbraw/zinc/59/51/02/1073595102.db2.gz AZPDOZGBPJEINB-GOSISDBHSA-N 0 3 442.520 -0.674 20 0 IBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)cc2)CC1 ZINC000766601253 1073595366 /nfs/dbraw/zinc/59/53/66/1073595366.db2.gz AZPDOZGBPJEINB-SFHVURJKSA-N 0 3 442.520 -0.674 20 0 IBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)NC2CCN(CCS(C)(=O)=O)CC2)CC1 ZINC000766984297 1073611606 /nfs/dbraw/zinc/61/16/06/1073611606.db2.gz KDRWVOLNSMAKAK-KRWDZBQOSA-N 0 3 429.587 -0.557 20 0 IBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)NC2CCN(CCS(C)(=O)=O)CC2)CC1 ZINC000766984299 1073611704 /nfs/dbraw/zinc/61/17/04/1073611704.db2.gz KDRWVOLNSMAKAK-QGZVFWFLSA-N 0 3 429.587 -0.557 20 0 IBADHN CN1CCC[C@H]1C(=O)N1CCN(CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)CC1 ZINC000767024499 1073612439 /nfs/dbraw/zinc/61/24/39/1073612439.db2.gz GZYZSMJQPZYYHW-INIZCTEOSA-N 0 3 434.541 -0.099 20 0 IBADHN CN1CCC[C@@H]1C(=O)N1CCN(CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)CC1 ZINC000767024500 1073612306 /nfs/dbraw/zinc/61/23/06/1073612306.db2.gz GZYZSMJQPZYYHW-MRXNPFEDSA-N 0 3 434.541 -0.099 20 0 IBADHN CC1CCC2(CC1)NC(=O)N(NC(=O)CN1CCN(C(=O)[C@@H]3CCCN3C)CC1)C2=O ZINC000767037958 1073612272 /nfs/dbraw/zinc/61/22/72/1073612272.db2.gz LHHJPTSCGHURAV-TZQQIIETSA-N 0 3 434.541 -0.243 20 0 IBADHN CC1CCC2(CC1)NC(=O)N(NC(=O)CN1CCN(C(=O)[C@H]3CCCN3C)CC1)C2=O ZINC000767037959 1073613049 /nfs/dbraw/zinc/61/30/49/1073613049.db2.gz LHHJPTSCGHURAV-ZGOJQLDESA-N 0 3 434.541 -0.243 20 0 IBADHN COc1ccc([C@@]2(C)NC(=O)N(NC(=O)CSc3nnnn3CCN(C)C)C2=O)cc1 ZINC000768294896 1073637524 /nfs/dbraw/zinc/63/75/24/1073637524.db2.gz HSTQGJUUEJAHRV-GOSISDBHSA-N 0 3 448.509 -0.166 20 0 IBADHN COc1ccc([C@]2(C)NC(=O)N(NC(=O)CSc3nnnn3CCN(C)C)C2=O)cc1 ZINC000768294897 1073637497 /nfs/dbraw/zinc/63/74/97/1073637497.db2.gz HSTQGJUUEJAHRV-SFHVURJKSA-N 0 3 448.509 -0.166 20 0 IBADHN CCN1CCN(c2cccc(NC(=O)C(=O)NCCOCCS(C)(=O)=O)c2)CC1 ZINC000770744614 1073668640 /nfs/dbraw/zinc/66/86/40/1073668640.db2.gz PRNFBEDTFLICBY-UHFFFAOYSA-N 0 3 426.539 -0.056 20 0 IBADHN CON(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@@H](C)CCN2CCN(C)CC2)cc1 ZINC000770798692 1073669337 /nfs/dbraw/zinc/66/93/37/1073669337.db2.gz BVJAGOWEVNUADF-HNNXBMFYSA-N 0 3 441.554 -0.051 20 0 IBADHN CON(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N[C@H](C)CCN2CCN(C)CC2)cc1 ZINC000770798693 1073669317 /nfs/dbraw/zinc/66/93/17/1073669317.db2.gz BVJAGOWEVNUADF-OAHLLOKOSA-N 0 3 441.554 -0.051 20 0 IBADHN CN1CCC2(CC1)NC(=O)N(CN1CCO[C@H](CN3C(=O)c4ccccc4C3=O)C1)C2=O ZINC000771174950 1073673193 /nfs/dbraw/zinc/67/31/93/1073673193.db2.gz RXKZPLZTAJWEJO-HNNXBMFYSA-N 0 3 441.488 -0.043 20 0 IBADHN CN1CCC2(CC1)NC(=O)N(CN1CCO[C@@H](CN3C(=O)c4ccccc4C3=O)C1)C2=O ZINC000771174954 1073673245 /nfs/dbraw/zinc/67/32/45/1073673245.db2.gz RXKZPLZTAJWEJO-OAHLLOKOSA-N 0 3 441.488 -0.043 20 0 IBADHN Cn1cnc2c1c(=O)n(CCCN1CCC(Oc3ccnc(C(N)=O)c3)CC1)c(=O)n2C ZINC000772331842 1073694183 /nfs/dbraw/zinc/69/41/83/1073694183.db2.gz HGVFJFLFISMCGX-UHFFFAOYSA-N 0 3 441.492 -0.139 20 0 IBADHN COC(=O)c1cc(NC(=O)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)cc(S(C)(=O)=O)c1 ZINC000774248821 1074224877 /nfs/dbraw/zinc/22/48/77/1074224877.db2.gz BAZNNBZJWWMXDF-CABCVRRESA-N 0 3 439.490 -0.205 20 0 IBADHN COC(=O)c1cc(NC(=O)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)cc(S(C)(=O)=O)c1 ZINC000774248824 1074224832 /nfs/dbraw/zinc/22/48/32/1074224832.db2.gz BAZNNBZJWWMXDF-GJZGRUSLSA-N 0 3 439.490 -0.205 20 0 IBADHN COC(=O)c1cc(NC(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)cc(S(C)(=O)=O)c1 ZINC000774248826 1074224944 /nfs/dbraw/zinc/22/49/44/1074224944.db2.gz BAZNNBZJWWMXDF-HUUCEWRRSA-N 0 3 439.490 -0.205 20 0 IBADHN COC(=O)c1cc(NC(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)cc(S(C)(=O)=O)c1 ZINC000774248828 1074224812 /nfs/dbraw/zinc/22/48/12/1074224812.db2.gz BAZNNBZJWWMXDF-LSDHHAIUSA-N 0 3 439.490 -0.205 20 0 IBADHN CN(C)CCN(C)C(=O)NCCOc1ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc1 ZINC000774302450 1074226389 /nfs/dbraw/zinc/22/63/89/1074226389.db2.gz JOAYLBFKAYIBDX-UHFFFAOYSA-N 0 3 436.556 -0.006 20 0 IBADHN CN(C)[C@H](CNC(=O)C(=O)NC1CCN(CCS(C)(=O)=O)CC1)Cc1ccccc1 ZINC000774924921 1074276964 /nfs/dbraw/zinc/27/69/64/1074276964.db2.gz RXKCVZXGAXZQRM-IBGZPJMESA-N 0 3 438.594 -0.099 20 0 IBADHN CN(C)[C@@H](CNC(=O)C(=O)NC1CCN(CCS(C)(=O)=O)CC1)Cc1ccccc1 ZINC000774924923 1074276941 /nfs/dbraw/zinc/27/69/41/1074276941.db2.gz RXKCVZXGAXZQRM-LJQANCHMSA-N 0 3 438.594 -0.099 20 0 IBADHN CCOC(=O)N1CCC(NC(=O)C(=O)N2CCN(C(=O)CN(CC)CC)CC2)CC1 ZINC000775004069 1074285695 /nfs/dbraw/zinc/28/56/95/1074285695.db2.gz NOBZCTGZFNWIQK-UHFFFAOYSA-N 0 3 425.530 -0.264 20 0 IBADHN CCOC(=O)N1CCC(NC(=O)C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)CC1 ZINC000775041160 1074295222 /nfs/dbraw/zinc/29/52/22/1074295222.db2.gz YWZMTNUFPAKITL-INIZCTEOSA-N 0 3 425.530 -0.218 20 0 IBADHN CCOC(=O)N1CCC(NC(=O)C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC000775041161 1074295251 /nfs/dbraw/zinc/29/52/51/1074295251.db2.gz YWZMTNUFPAKITL-MRXNPFEDSA-N 0 3 425.530 -0.218 20 0 IBADHN CS(=O)(=O)N(c1ccc(OCCN[C@@H]2CCCS(=O)(=O)C2)cc1)S(C)(=O)=O ZINC000775423096 1074333736 /nfs/dbraw/zinc/33/37/36/1074333736.db2.gz NJBGRKIWQVDBOI-CYBMUJFWSA-N 0 3 440.565 -0.042 20 0 IBADHN CS(=O)(=O)N(c1ccc(OCCN[C@H]2CCCS(=O)(=O)C2)cc1)S(C)(=O)=O ZINC000775423099 1074333641 /nfs/dbraw/zinc/33/36/41/1074333641.db2.gz NJBGRKIWQVDBOI-ZDUSSCGKSA-N 0 3 440.565 -0.042 20 0 IBADHN C[C@H](CS(C)(=O)=O)NCCOc1ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc1 ZINC000775423129 1074333662 /nfs/dbraw/zinc/33/36/62/1074333662.db2.gz NTAHUGUWXRMBLF-GFCCVEGCSA-N 0 3 428.554 -0.186 20 0 IBADHN C[C@@H](CS(C)(=O)=O)NCCOc1ccc(N(S(C)(=O)=O)S(C)(=O)=O)cc1 ZINC000775423149 1074333484 /nfs/dbraw/zinc/33/34/84/1074333484.db2.gz NTAHUGUWXRMBLF-LBPRGKRZSA-N 0 3 428.554 -0.186 20 0 IBADHN CN(CCCNC(=O)CONC(=N)[C@@H]1CN(Cc2ccccc2)CCO1)S(C)(=O)=O ZINC000779649976 1072594855 /nfs/dbraw/zinc/59/48/55/1072594855.db2.gz UWADUZOLYGPCCH-KRWDZBQOSA-N 0 3 441.554 -0.216 20 0 IBADHN CN(CCCNC(=O)CONC(=N)[C@H]1CN(Cc2ccccc2)CCO1)S(C)(=O)=O ZINC000779649977 1072594778 /nfs/dbraw/zinc/59/47/78/1072594778.db2.gz UWADUZOLYGPCCH-QGZVFWFLSA-N 0 3 441.554 -0.216 20 0 IBADHN CC(C)N1CCO[C@H](C(=N)NOCC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)C1 ZINC000779650185 1072594987 /nfs/dbraw/zinc/59/49/87/1072594987.db2.gz LZCJIAJLXNTHKB-INIZCTEOSA-N 0 3 426.562 -0.347 20 0 IBADHN CC(C)N1CCO[C@@H](C(=N)NOCC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)C1 ZINC000779650211 1072595434 /nfs/dbraw/zinc/59/54/34/1072595434.db2.gz LZCJIAJLXNTHKB-MRXNPFEDSA-N 0 3 426.562 -0.347 20 0 IBADHN CN1CCC2(CC1)NC(=O)N(CN1CCC[C@H](S(=O)(=O)N3CCOCC3)C1)C2=O ZINC000779869224 1072595491 /nfs/dbraw/zinc/59/54/91/1072595491.db2.gz HDJDNRKHTKPSKI-HNNXBMFYSA-N 0 3 429.543 -0.914 20 0 IBADHN CN1CCC2(CC1)NC(=O)N(CN1CCC[C@@H](S(=O)(=O)N3CCOCC3)C1)C2=O ZINC000779869225 1072595324 /nfs/dbraw/zinc/59/53/24/1072595324.db2.gz HDJDNRKHTKPSKI-OAHLLOKOSA-N 0 3 429.543 -0.914 20 0 IBADHN O=C(NC[C@H]1CN2CCC[C@@H]2CO1)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1 ZINC000780523730 1072959362 /nfs/dbraw/zinc/95/93/62/1072959362.db2.gz WVEVAQKHXUHVDA-CBZIJGRNSA-N 0 3 427.498 -0.071 20 0 IBADHN O=C(NC[C@H]1CN2CCC[C@H]2CO1)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1 ZINC000780523731 1072959490 /nfs/dbraw/zinc/95/94/90/1072959490.db2.gz WVEVAQKHXUHVDA-DFGXFYAUSA-N 0 3 427.498 -0.071 20 0 IBADHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1 ZINC000780523732 1072959548 /nfs/dbraw/zinc/95/95/48/1072959548.db2.gz WVEVAQKHXUHVDA-KONPQCLYSA-N 0 3 427.498 -0.071 20 0 IBADHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1 ZINC000780523733 1072959406 /nfs/dbraw/zinc/95/94/06/1072959406.db2.gz WVEVAQKHXUHVDA-LHHMISFZSA-N 0 3 427.498 -0.071 20 0 IBADHN CCN1CCN(c2ccc(NC(=O)C(=O)N(CCO)[C@@H]3CCS(=O)(=O)C3)cc2)CC1 ZINC000782936789 1072985634 /nfs/dbraw/zinc/98/56/34/1072985634.db2.gz BFGITBLYZZXCIX-GOSISDBHSA-N 0 3 438.550 -0.225 20 0 IBADHN CCN1CCN(c2ccc(NC(=O)C(=O)N(CCO)[C@H]3CCS(=O)(=O)C3)cc2)CC1 ZINC000782936793 1072985609 /nfs/dbraw/zinc/98/56/09/1072985609.db2.gz BFGITBLYZZXCIX-SFHVURJKSA-N 0 3 438.550 -0.225 20 0 IBADHN CCN1CCN(c2ccc(NC(=O)C(=O)N(CCO)CCN3CCOCC3)cc2)CC1 ZINC000783469343 1072989768 /nfs/dbraw/zinc/98/97/68/1072989768.db2.gz JZGCOKDPOZFUGZ-UHFFFAOYSA-N 0 3 433.553 -0.080 20 0 IBADHN CN(CCN1CCCC1)C(=O)C(=O)Nc1ccc(S(=O)(=O)CCS(C)(=O)=O)cc1 ZINC000783978530 1072993059 /nfs/dbraw/zinc/99/30/59/1072993059.db2.gz AVQJTIVEPDWSEQ-UHFFFAOYSA-N 0 3 445.563 -0.002 20 0 IBADHN CON(C)S(=O)(=O)c1ccc(NC(=O)C(=O)N(C)CCCN2CCN(C)CC2)cc1 ZINC000784795881 1072998728 /nfs/dbraw/zinc/99/87/28/1072998728.db2.gz YEJGSXMLLJWSOL-UHFFFAOYSA-N 0 3 441.554 -0.097 20 0 IBADHN CN1CCN(c2ccccc2NC(=O)C(=O)N[C@H]2CCN(CCN3CCOCC3)C2)CC1 ZINC000784822029 1072999789 /nfs/dbraw/zinc/99/97/89/1072999789.db2.gz HZXZCTHKAMKGLF-IBGZPJMESA-N 0 3 444.580 -0.100 20 0 IBADHN CN1CCN(c2ccccc2NC(=O)C(=O)N[C@@H]2CCN(CCN3CCOCC3)C2)CC1 ZINC000784822030 1072999973 /nfs/dbraw/zinc/99/99/73/1072999973.db2.gz HZXZCTHKAMKGLF-LJQANCHMSA-N 0 3 444.580 -0.100 20 0 IBADHN CCN1CCN(c2ccc(NC(=O)C(=O)N(C)C[C@H](O)CN3CCOCC3)cc2)CC1 ZINC000784968204 1070883423 /nfs/dbraw/zinc/88/34/23/1070883423.db2.gz BZHPLGTXXZUSMH-FQEVSTJZSA-N 0 3 433.553 -0.082 20 0 IBADHN CCN1CCN(c2ccc(NC(=O)C(=O)N(C)C[C@@H](O)CN3CCOCC3)cc2)CC1 ZINC000784968205 1070883255 /nfs/dbraw/zinc/88/32/55/1070883255.db2.gz BZHPLGTXXZUSMH-HXUWFJFHSA-N 0 3 433.553 -0.082 20 0 IBADHN CCN(CCS(C)(=O)=O)C(=O)C(=O)Nc1ccc2oc(=O)n(CCN(C)C)c2c1 ZINC000785111208 1071062978 /nfs/dbraw/zinc/06/29/78/1071062978.db2.gz YQBNXPVWPPLCEU-UHFFFAOYSA-N 0 3 426.495 -0.012 20 0 IBADHN CN(CCN(C)C1CC1)C(=O)C(=O)Nc1ccc(S(=O)(=O)CCS(C)(=O)=O)cc1 ZINC000785184812 1071252819 /nfs/dbraw/zinc/25/28/19/1071252819.db2.gz BMFWHSQRMUIKOV-UHFFFAOYSA-N 0 3 445.563 -0.004 20 0 IBADHN CCN1CCN(c2ccc(NC(=O)C(=O)N3CC(n4cc(C(N)=O)nn4)C3)cc2)CC1 ZINC000785334119 1071439403 /nfs/dbraw/zinc/43/94/03/1071439403.db2.gz QIBZJUPVPLJFTI-UHFFFAOYSA-N 0 3 426.481 -0.459 20 0 IBADHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000785439309 1073106705 /nfs/dbraw/zinc/10/67/05/1073106705.db2.gz PODODJOBJKSOJA-GDBMZVCRSA-N 0 3 426.539 -0.136 20 0 IBADHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000785439310 1073106737 /nfs/dbraw/zinc/10/67/37/1073106737.db2.gz PODODJOBJKSOJA-ZBFHGGJFSA-N 0 3 426.539 -0.136 20 0 IBADHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000785810600 1073707172 /nfs/dbraw/zinc/70/71/72/1073707172.db2.gz PODODJOBJKSOJA-GOEBONIOSA-N 0 3 426.539 -0.136 20 0 IBADHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000785810601 1073707213 /nfs/dbraw/zinc/70/72/13/1073707213.db2.gz PODODJOBJKSOJA-HOCLYGCPSA-N 0 3 426.539 -0.136 20 0 IBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NCc2ccc(-n3ccnc3)nc2)CC1 ZINC000785987379 1073709928 /nfs/dbraw/zinc/70/99/28/1073709928.db2.gz LNMZKIOROVWXKY-UHFFFAOYSA-N 0 3 427.509 -0.104 20 0 IBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)NCc1ccc(-n2ccnc2)nc1 ZINC000786002414 1073710662 /nfs/dbraw/zinc/71/06/62/1073710662.db2.gz KNCPPNQEKFKHLZ-KRWDZBQOSA-N 0 3 427.509 -0.058 20 0 IBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)NCc1ccc(-n2ccnc2)nc1 ZINC000786002419 1073710505 /nfs/dbraw/zinc/71/05/05/1073710505.db2.gz KNCPPNQEKFKHLZ-QGZVFWFLSA-N 0 3 427.509 -0.058 20 0 IBADHN O=C(CN1CCCC1)N1CCN(C(=O)C(=O)NCc2ccc(-n3ccnc3)nc2)CC1 ZINC000786007264 1073711218 /nfs/dbraw/zinc/71/12/18/1073711218.db2.gz QUDTYFWBDFAKNF-UHFFFAOYSA-N 0 3 425.493 -0.350 20 0 IBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCc2ccc(-n3ccnc3)nc2)CC1 ZINC000786015918 1073710054 /nfs/dbraw/zinc/71/00/54/1073710054.db2.gz ZARIRZGLIXTODU-KRWDZBQOSA-N 0 3 425.493 -0.352 20 0 IBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCc2ccc(-n3ccnc3)nc2)CC1 ZINC000786015920 1073709983 /nfs/dbraw/zinc/70/99/83/1073709983.db2.gz ZARIRZGLIXTODU-QGZVFWFLSA-N 0 3 425.493 -0.352 20 0 IBADHN O=C(NCc1ccc(C(=O)N2CCOCC2)cc1)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000786215040 1073717635 /nfs/dbraw/zinc/71/76/35/1073717635.db2.gz KCLCTQHOSMNTDQ-MOPGFXCFSA-N 0 3 430.505 -0.245 20 0 IBADHN O=C(NCc1ccc(C(=O)N2CCOCC2)cc1)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000786215041 1073717582 /nfs/dbraw/zinc/71/75/82/1073717582.db2.gz KCLCTQHOSMNTDQ-OALUTQOASA-N 0 3 430.505 -0.245 20 0 IBADHN O=C(NCc1ccc(C(=O)N2CCOCC2)cc1)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000786215043 1073717712 /nfs/dbraw/zinc/71/77/12/1073717712.db2.gz KCLCTQHOSMNTDQ-RBUKOAKNSA-N 0 3 430.505 -0.245 20 0 IBADHN O=C(NCc1ccc(C(=O)N2CCOCC2)cc1)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000786215045 1073717783 /nfs/dbraw/zinc/71/77/83/1073717783.db2.gz KCLCTQHOSMNTDQ-RTBURBONSA-N 0 3 430.505 -0.245 20 0 IBADHN O=C(NCCCN1CCN(c2ncccn2)CC1)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000786655237 1073726190 /nfs/dbraw/zinc/72/61/90/1073726190.db2.gz KGCTXUZZBKEBDN-MSOLQXFVSA-N 0 3 431.541 -0.916 20 0 IBADHN O=C(NCCCN1CCN(c2ncccn2)CC1)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000786655240 1073726114 /nfs/dbraw/zinc/72/61/14/1073726114.db2.gz KGCTXUZZBKEBDN-QZTJIDSGSA-N 0 3 431.541 -0.916 20 0 IBADHN O=C(NCCCN1CCN(c2ncccn2)CC1)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000786655242 1073726029 /nfs/dbraw/zinc/72/60/29/1073726029.db2.gz KGCTXUZZBKEBDN-ROUUACIJSA-N 0 3 431.541 -0.916 20 0 IBADHN O=C(NCCCN1CCN(c2ncccn2)CC1)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000786655244 1073725925 /nfs/dbraw/zinc/72/59/25/1073725925.db2.gz KGCTXUZZBKEBDN-ZWKOTPCHSA-N 0 3 431.541 -0.916 20 0 IBADHN O=C(NCCCN1C(=O)NC2(CCCCC2)C1=O)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000786659192 1073725959 /nfs/dbraw/zinc/72/59/59/1073725959.db2.gz XZMPJDYXYBRDKU-CVEARBPZSA-N 0 3 435.525 -0.273 20 0 IBADHN O=C(NCCCN1C(=O)NC2(CCCCC2)C1=O)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000786659194 1073726134 /nfs/dbraw/zinc/72/61/34/1073726134.db2.gz XZMPJDYXYBRDKU-HOTGVXAUSA-N 0 3 435.525 -0.273 20 0 IBADHN O=C(NCCCN1C(=O)NC2(CCCCC2)C1=O)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000786659195 1073726268 /nfs/dbraw/zinc/72/62/68/1073726268.db2.gz XZMPJDYXYBRDKU-HZPDHXFCSA-N 0 3 435.525 -0.273 20 0 IBADHN O=C(NCCCN1C(=O)NC2(CCCCC2)C1=O)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000786659197 1073726219 /nfs/dbraw/zinc/72/62/19/1073726219.db2.gz XZMPJDYXYBRDKU-JKSUJKDBSA-N 0 3 435.525 -0.273 20 0 IBADHN O=C(NCCNS(=O)(=O)c1cccc(Cl)c1)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000786662160 1073726160 /nfs/dbraw/zinc/72/61/60/1073726160.db2.gz GNTYYHDYYRJMLM-CABCVRRESA-N 0 3 444.941 -0.286 20 0 IBADHN O=C(NCCNS(=O)(=O)c1cccc(Cl)c1)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000786662161 1073726726 /nfs/dbraw/zinc/72/67/26/1073726726.db2.gz GNTYYHDYYRJMLM-GJZGRUSLSA-N 0 3 444.941 -0.286 20 0 IBADHN O=C(NCCNS(=O)(=O)c1cccc(Cl)c1)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000786662162 1073726797 /nfs/dbraw/zinc/72/67/97/1073726797.db2.gz GNTYYHDYYRJMLM-HUUCEWRRSA-N 0 3 444.941 -0.286 20 0 IBADHN O=C(NCCNS(=O)(=O)c1cccc(Cl)c1)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000786662163 1073726746 /nfs/dbraw/zinc/72/67/46/1073726746.db2.gz GNTYYHDYYRJMLM-LSDHHAIUSA-N 0 3 444.941 -0.286 20 0 IBADHN CC(C)(C)OC(=O)NCCCNC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000786736839 1073728497 /nfs/dbraw/zinc/72/84/97/1073728497.db2.gz CATWHKYQUIGVEJ-UHFFFAOYSA-N 0 3 425.530 -0.216 20 0 IBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCCCNC(=O)OC(C)(C)C)CC1 ZINC000786751288 1073729005 /nfs/dbraw/zinc/72/90/05/1073729005.db2.gz CNSMNLURRQGXAL-HNNXBMFYSA-N 0 3 425.530 -0.218 20 0 IBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCCCNC(=O)OC(C)(C)C)CC1 ZINC000786751290 1073729026 /nfs/dbraw/zinc/72/90/26/1073729026.db2.gz CNSMNLURRQGXAL-OAHLLOKOSA-N 0 3 425.530 -0.218 20 0 IBADHN Cn1ccnc1[C@](O)(CCNC(=O)C(=O)NC[C@H]1CN2CCC[C@H]2CO1)C(F)(F)F ZINC000787070274 1073734945 /nfs/dbraw/zinc/73/49/45/1073734945.db2.gz CNMRGIDPZVEWAO-GDZNZVCISA-N 0 3 433.431 -0.344 20 0 IBADHN Cn1ccnc1[C@](O)(CCNC(=O)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1)C(F)(F)F ZINC000787070291 1073734909 /nfs/dbraw/zinc/73/49/09/1073734909.db2.gz CNMRGIDPZVEWAO-IIYDPXPESA-N 0 3 433.431 -0.344 20 0 IBADHN Cn1ccnc1[C@](O)(CCNC(=O)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1)C(F)(F)F ZINC000787070294 1073734800 /nfs/dbraw/zinc/73/48/00/1073734800.db2.gz CNMRGIDPZVEWAO-OGHNNQOOSA-N 0 3 433.431 -0.344 20 0 IBADHN Cn1ccnc1[C@](O)(CCNC(=O)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1)C(F)(F)F ZINC000787070298 1073735340 /nfs/dbraw/zinc/73/53/40/1073735340.db2.gz CNMRGIDPZVEWAO-PBFPGSCMSA-N 0 3 433.431 -0.344 20 0 IBADHN Cn1ccnc1[C@](O)(CCNC(=O)C(=O)NCCN1CCN(C)C(C)(C)C1)C(F)(F)F ZINC000787084215 1073737226 /nfs/dbraw/zinc/73/72/26/1073737226.db2.gz RUJGVHXAWKESBL-GOSISDBHSA-N 0 3 448.490 -0.182 20 0 IBADHN Cn1ccnc1[C@@](O)(CCNC(=O)C(=O)NCCN1CCN(C)C(C)(C)C1)C(F)(F)F ZINC000787084217 1073737176 /nfs/dbraw/zinc/73/71/76/1073737176.db2.gz RUJGVHXAWKESBL-SFHVURJKSA-N 0 3 448.490 -0.182 20 0 IBADHN C[C@@H](CNC(=O)C(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1)N1CCCCC1 ZINC000787177145 1073740018 /nfs/dbraw/zinc/74/00/18/1073740018.db2.gz ARHXTUAPDAZCAT-INIZCTEOSA-N 0 3 429.521 -0.135 20 0 IBADHN C[C@H](CNC(=O)C(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1)N1CCCCC1 ZINC000787177146 1073740000 /nfs/dbraw/zinc/74/00/00/1073740000.db2.gz ARHXTUAPDAZCAT-MRXNPFEDSA-N 0 3 429.521 -0.135 20 0 IBADHN CCNC(=O)COc1ccc(CNC(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)cc1OC ZINC000787181440 1073739881 /nfs/dbraw/zinc/73/98/81/1073739881.db2.gz YMXMRDHVFLSODP-DLBZAZTESA-N 0 3 448.520 -0.194 20 0 IBADHN CCNC(=O)COc1ccc(CNC(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)cc1OC ZINC000787181442 1073739977 /nfs/dbraw/zinc/73/99/77/1073739977.db2.gz YMXMRDHVFLSODP-IAGOWNOFSA-N 0 3 448.520 -0.194 20 0 IBADHN CCNC(=O)COc1ccc(CNC(=O)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)cc1OC ZINC000787181443 1073740034 /nfs/dbraw/zinc/74/00/34/1073740034.db2.gz YMXMRDHVFLSODP-IRXDYDNUSA-N 0 3 448.520 -0.194 20 0 IBADHN CCNC(=O)COc1ccc(CNC(=O)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)cc1OC ZINC000787181444 1073739932 /nfs/dbraw/zinc/73/99/32/1073739932.db2.gz YMXMRDHVFLSODP-SJORKVTESA-N 0 3 448.520 -0.194 20 0 IBADHN CN1CCN(C(=O)c2ccc(CNC(=O)C(=O)NC[C@H]3CN4CCC[C@H]4CO3)cc2)CC1 ZINC000787186045 1073740623 /nfs/dbraw/zinc/74/06/23/1073740623.db2.gz YLDGHLQYHGMDMM-PMACEKPBSA-N 0 3 443.548 -0.330 20 0 IBADHN CN1CCN(C(=O)c2ccc(CNC(=O)C(=O)NC[C@H]3CN4CCC[C@@H]4CO3)cc2)CC1 ZINC000787186048 1073741284 /nfs/dbraw/zinc/74/12/84/1073741284.db2.gz YLDGHLQYHGMDMM-UXHICEINSA-N 0 3 443.548 -0.330 20 0 IBADHN CN1CCN(C(=O)c2ccc(CNC(=O)C(=O)NC[C@@H]3CN4CCC[C@H]4CO3)cc2)CC1 ZINC000787186049 1073741006 /nfs/dbraw/zinc/74/10/06/1073741006.db2.gz YLDGHLQYHGMDMM-VQTJNVASSA-N 0 3 443.548 -0.330 20 0 IBADHN CN1CCN(C(=O)c2ccc(CNC(=O)C(=O)NC[C@@H]3CN4CCC[C@@H]4CO3)cc2)CC1 ZINC000787186050 1073741053 /nfs/dbraw/zinc/74/10/53/1073741053.db2.gz YLDGHLQYHGMDMM-WOJBJXKFSA-N 0 3 443.548 -0.330 20 0 IBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NCc2ccc(-n3cncn3)nc2)CC1 ZINC000787257206 1073741644 /nfs/dbraw/zinc/74/16/44/1073741644.db2.gz QWSPOYUNKACZFY-UHFFFAOYSA-N 0 3 428.497 -0.709 20 0 IBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCc2ccc(-n3cncn3)nc2)CC1 ZINC000787259198 1073741800 /nfs/dbraw/zinc/74/18/00/1073741800.db2.gz BAZHFEOSEOLTHQ-INIZCTEOSA-N 0 3 426.481 -0.957 20 0 IBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCc2ccc(-n3cncn3)nc2)CC1 ZINC000787259210 1073741709 /nfs/dbraw/zinc/74/17/09/1073741709.db2.gz BAZHFEOSEOLTHQ-MRXNPFEDSA-N 0 3 426.481 -0.957 20 0 IBADHN O=C(CN1CCCC1)N1CCN(C(=O)C(=O)NCc2ccc(-n3cncn3)nc2)CC1 ZINC000787262559 1073742455 /nfs/dbraw/zinc/74/24/55/1073742455.db2.gz TZLHIECXERQPSF-UHFFFAOYSA-N 0 3 426.481 -0.955 20 0 IBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NCc2cccnc2-n2ccnc2)CC1 ZINC000787443431 1073744503 /nfs/dbraw/zinc/74/45/03/1073744503.db2.gz NDWMPXPBWKAMNO-UHFFFAOYSA-N 0 3 427.509 -0.104 20 0 IBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCc2cccnc2-n2ccnc2)CC1 ZINC000787459769 1073745165 /nfs/dbraw/zinc/74/51/65/1073745165.db2.gz BJZUFTHUMPQRKS-KRWDZBQOSA-N 0 3 425.493 -0.352 20 0 IBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCc2cccnc2-n2ccnc2)CC1 ZINC000787459777 1073745085 /nfs/dbraw/zinc/74/50/85/1073745085.db2.gz BJZUFTHUMPQRKS-QGZVFWFLSA-N 0 3 425.493 -0.352 20 0 IBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)NCc1cccnc1-n1ccnc1 ZINC000787464500 1073745683 /nfs/dbraw/zinc/74/56/83/1073745683.db2.gz ZBZMAGSAYYAYKB-KRWDZBQOSA-N 0 3 427.509 -0.058 20 0 IBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)NCc1cccnc1-n1ccnc1 ZINC000787464504 1073745670 /nfs/dbraw/zinc/74/56/70/1073745670.db2.gz ZBZMAGSAYYAYKB-QGZVFWFLSA-N 0 3 427.509 -0.058 20 0 IBADHN O=C(CN1CCCC1)N1CCN(C(=O)C(=O)NCc2cccnc2-n2ccnc2)CC1 ZINC000787467308 1073746154 /nfs/dbraw/zinc/74/61/54/1073746154.db2.gz VRBBEODVTNEJQU-UHFFFAOYSA-N 0 3 425.493 -0.350 20 0 IBADHN Cc1nccn1-c1ccc(CNC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)cn1 ZINC000787482899 1073746989 /nfs/dbraw/zinc/74/69/89/1073746989.db2.gz AITMLPQSZHJBGH-UHFFFAOYSA-N 0 3 439.520 -0.041 20 0 IBADHN Cc1nccn1-c1ccc(CNC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)cn1 ZINC000787488337 1073745762 /nfs/dbraw/zinc/74/57/62/1073745762.db2.gz HGGOZEHVUZGCIS-GOSISDBHSA-N 0 3 439.520 -0.043 20 0 IBADHN Cc1nccn1-c1ccc(CNC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)cn1 ZINC000787488341 1073745712 /nfs/dbraw/zinc/74/57/12/1073745712.db2.gz HGGOZEHVUZGCIS-SFHVURJKSA-N 0 3 439.520 -0.043 20 0 IBADHN CN1CCN(CCCCNC(=O)C(=O)N2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)CC1 ZINC000787905376 1073756036 /nfs/dbraw/zinc/75/60/36/1073756036.db2.gz XLGUPRALDXIPHE-KRWDZBQOSA-N 0 3 441.573 -0.118 20 0 IBADHN CN1CCN(CCCCNC(=O)C(=O)N2CCO[C@H](CNC(=O)OC(C)(C)C)C2)CC1 ZINC000787905380 1073756053 /nfs/dbraw/zinc/75/60/53/1073756053.db2.gz XLGUPRALDXIPHE-QGZVFWFLSA-N 0 3 441.573 -0.118 20 0 IBADHN CN(C)[C@]1(CNC(=O)C(=O)NC2CCN(S(=O)(=O)C(F)(F)F)CC2)CCSC1 ZINC000788241362 1073767770 /nfs/dbraw/zinc/76/77/70/1073767770.db2.gz FYHJLHRGACDJGK-AWEZNQCLSA-N 0 3 446.517 -0.030 20 0 IBADHN CN(C)[C@@]1(CNC(=O)C(=O)NC2CCN(S(=O)(=O)C(F)(F)F)CC2)CCSC1 ZINC000788241364 1073767818 /nfs/dbraw/zinc/76/78/18/1073767818.db2.gz FYHJLHRGACDJGK-CQSZACIVSA-N 0 3 446.517 -0.030 20 0 IBADHN CS(=O)(=O)CCNC(=O)C(=O)N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000788395997 1073770920 /nfs/dbraw/zinc/77/09/20/1073770920.db2.gz JYOCJRNOJDHJPR-KRWDZBQOSA-N 0 3 437.566 -0.397 20 0 IBADHN CS(=O)(=O)CCNC(=O)C(=O)N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC000788396000 1073770860 /nfs/dbraw/zinc/77/08/60/1073770860.db2.gz JYOCJRNOJDHJPR-QGZVFWFLSA-N 0 3 437.566 -0.397 20 0 IBADHN C[C@@H](CNC(=O)C(=O)N1CCO[C@H](CNC(=O)OC(C)(C)C)C1)CN1CCN(C)CC1 ZINC000790182376 1073791198 /nfs/dbraw/zinc/79/11/98/1073791198.db2.gz BSEODTNXGBXACK-DLBZAZTESA-N 0 3 441.573 -0.262 20 0 IBADHN C[C@H](CNC(=O)C(=O)N1CCO[C@H](CNC(=O)OC(C)(C)C)C1)CN1CCN(C)CC1 ZINC000790182378 1073791255 /nfs/dbraw/zinc/79/12/55/1073791255.db2.gz BSEODTNXGBXACK-IAGOWNOFSA-N 0 3 441.573 -0.262 20 0 IBADHN C[C@@H](CNC(=O)C(=O)N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1)CN1CCN(C)CC1 ZINC000790182381 1073791294 /nfs/dbraw/zinc/79/12/94/1073791294.db2.gz BSEODTNXGBXACK-IRXDYDNUSA-N 0 3 441.573 -0.262 20 0 IBADHN C[C@H](CNC(=O)C(=O)N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1)CN1CCN(C)CC1 ZINC000790182385 1073791004 /nfs/dbraw/zinc/79/10/04/1073791004.db2.gz BSEODTNXGBXACK-SJORKVTESA-N 0 3 441.573 -0.262 20 0 IBADHN C[C@@H](CNC(=O)C(=O)N1CCC(Oc2ccnc(C(N)=O)c2)CC1)CN1CCN(C)CC1 ZINC000790195324 1073791144 /nfs/dbraw/zinc/79/11/44/1073791144.db2.gz NTZAWINBQWNOAV-INIZCTEOSA-N 0 3 446.552 -0.450 20 0 IBADHN C[C@H](CNC(=O)C(=O)N1CCC(Oc2ccnc(C(N)=O)c2)CC1)CN1CCN(C)CC1 ZINC000790195328 1073791234 /nfs/dbraw/zinc/79/12/34/1073791234.db2.gz NTZAWINBQWNOAV-MRXNPFEDSA-N 0 3 446.552 -0.450 20 0 IBADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N(C)[C@H]2CCN(CC(F)(F)F)C2=O)CC1 ZINC000790210788 1073791750 /nfs/dbraw/zinc/79/17/50/1073791750.db2.gz VRPNFCVHUBFDGD-CABCVRRESA-N 0 3 435.491 -0.002 20 0 IBADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N(C)[C@H]2CCN(CC(F)(F)F)C2=O)CC1 ZINC000790210789 1073791866 /nfs/dbraw/zinc/79/18/66/1073791866.db2.gz VRPNFCVHUBFDGD-GJZGRUSLSA-N 0 3 435.491 -0.002 20 0 IBADHN CCN1CCN(C[C@H](C)CNC(=O)C(=O)N(C)[C@@H]2CCN(CC(F)(F)F)C2=O)CC1 ZINC000790210791 1073791794 /nfs/dbraw/zinc/79/17/94/1073791794.db2.gz VRPNFCVHUBFDGD-HUUCEWRRSA-N 0 3 435.491 -0.002 20 0 IBADHN CCN1CCN(C[C@@H](C)CNC(=O)C(=O)N(C)[C@@H]2CCN(CC(F)(F)F)C2=O)CC1 ZINC000790210793 1073791773 /nfs/dbraw/zinc/79/17/73/1073791773.db2.gz VRPNFCVHUBFDGD-LSDHHAIUSA-N 0 3 435.491 -0.002 20 0 IBADHN CC(C)(C)OC(=O)N1CCN(CCNC(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)CC1 ZINC000790311995 1073797533 /nfs/dbraw/zinc/79/75/33/1073797533.db2.gz LOPCVLFJQDIVDD-DLBZAZTESA-N 0 3 439.557 -0.365 20 0 IBADHN CC(C)(C)OC(=O)N1CCN(CCNC(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000790311996 1073797668 /nfs/dbraw/zinc/79/76/68/1073797668.db2.gz LOPCVLFJQDIVDD-IAGOWNOFSA-N 0 3 439.557 -0.365 20 0 IBADHN CC(C)(C)OC(=O)N1CCN(CCNC(=O)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)CC1 ZINC000790311997 1073797701 /nfs/dbraw/zinc/79/77/01/1073797701.db2.gz LOPCVLFJQDIVDD-IRXDYDNUSA-N 0 3 439.557 -0.365 20 0 IBADHN CC(C)(C)OC(=O)N1CCN(CCNC(=O)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000790311998 1073797639 /nfs/dbraw/zinc/79/76/39/1073797639.db2.gz LOPCVLFJQDIVDD-SJORKVTESA-N 0 3 439.557 -0.365 20 0 IBADHN COCCN1CCC(NC(=O)C(=O)NCCN2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000790327854 1073795819 /nfs/dbraw/zinc/79/58/19/1073795819.db2.gz ZCQBWMWYXRUYGW-UHFFFAOYSA-N 0 3 441.573 -0.118 20 0 IBADHN COCCN(C)S(=O)(=O)[C@H]1CCCN(CN2C(=O)NC3(CCN(C)CC3)C2=O)C1 ZINC000792710966 1073819487 /nfs/dbraw/zinc/81/94/87/1073819487.db2.gz FEQNTISCHMYGQT-HNNXBMFYSA-N 0 3 431.559 -0.668 20 0 IBADHN COCCN(C)S(=O)(=O)[C@@H]1CCCN(CN2C(=O)NC3(CCN(C)CC3)C2=O)C1 ZINC000792710967 1073819600 /nfs/dbraw/zinc/81/96/00/1073819600.db2.gz FEQNTISCHMYGQT-OAHLLOKOSA-N 0 3 431.559 -0.668 20 0 IBADHN CCCN(CCC)S(=O)(=O)N1CCN(CN2C(=O)NC3(CCN(C)CC3)C2=O)CC1 ZINC000792717469 1073819911 /nfs/dbraw/zinc/81/99/11/1073819911.db2.gz VPVLHLXTWQXVAL-UHFFFAOYSA-N 0 3 444.602 -0.056 20 0 IBADHN CCN1CCN(c2ccc(NC(=O)C(=O)NCCn3cc(C(=O)OC)nn3)cc2)CC1 ZINC000793105543 1073823231 /nfs/dbraw/zinc/82/32/31/1073823231.db2.gz OHMRKLUZUDOSQG-UHFFFAOYSA-N 0 3 429.481 -0.039 20 0 IBADHN C[C@@H](CNC(=O)C(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1)N1CCCCC1 ZINC000793696154 1073829918 /nfs/dbraw/zinc/82/99/18/1073829918.db2.gz FRYMFQCNSDBWRY-DLBZAZTESA-N 0 3 430.571 -0.370 20 0 IBADHN C[C@H](CNC(=O)C(=O)N1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1)N1CCCCC1 ZINC000793696157 1073830096 /nfs/dbraw/zinc/83/00/96/1073830096.db2.gz FRYMFQCNSDBWRY-IAGOWNOFSA-N 0 3 430.571 -0.370 20 0 IBADHN C[C@@H](CNC(=O)C(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1)N1CCCCC1 ZINC000793696160 1073829892 /nfs/dbraw/zinc/82/98/92/1073829892.db2.gz FRYMFQCNSDBWRY-IRXDYDNUSA-N 0 3 430.571 -0.370 20 0 IBADHN C[C@H](CNC(=O)C(=O)N1CCC[C@H](S(=O)(=O)N2CCOCC2)C1)N1CCCCC1 ZINC000793696163 1073829791 /nfs/dbraw/zinc/82/97/91/1073829791.db2.gz FRYMFQCNSDBWRY-SJORKVTESA-N 0 3 430.571 -0.370 20 0 IBADHN Cc1nc(S(=O)(=O)N2CCN(C(=O)C(=O)NC[C@H](C)N3CCCCC3)CC2)cn1C ZINC000793696746 1073829952 /nfs/dbraw/zinc/82/99/52/1073829952.db2.gz HJBOLTRFRVLMBK-HNNXBMFYSA-N 0 3 440.570 -0.448 20 0 IBADHN Cc1nc(S(=O)(=O)N2CCN(C(=O)C(=O)NC[C@@H](C)N3CCCCC3)CC2)cn1C ZINC000793696749 1073829973 /nfs/dbraw/zinc/82/99/73/1073829973.db2.gz HJBOLTRFRVLMBK-OAHLLOKOSA-N 0 3 440.570 -0.448 20 0 IBADHN C[C@@H](CNC(=O)C(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1)N1CCCCC1 ZINC000793706390 1073830484 /nfs/dbraw/zinc/83/04/84/1073830484.db2.gz HEXSEJBTJYCNRV-HNNXBMFYSA-N 0 3 427.527 -0.361 20 0 IBADHN C[C@H](CNC(=O)C(=O)N1CCN(S(=O)(=O)Cc2ccon2)CC1)N1CCCCC1 ZINC000793706394 1073830444 /nfs/dbraw/zinc/83/04/44/1073830444.db2.gz HEXSEJBTJYCNRV-OAHLLOKOSA-N 0 3 427.527 -0.361 20 0 IBADHN COCCCNC(=O)[C@H](C)N1CCN(C(=O)C(=O)NC[C@@H](C)N2CCCCC2)CC1 ZINC000793710884 1073827686 /nfs/dbraw/zinc/82/76/86/1073827686.db2.gz VEEACEVANOIDAK-MSOLQXFVSA-N 0 3 425.574 -0.338 20 0 IBADHN COCCCNC(=O)[C@@H](C)N1CCN(C(=O)C(=O)NC[C@@H](C)N2CCCCC2)CC1 ZINC000793710894 1073827824 /nfs/dbraw/zinc/82/78/24/1073827824.db2.gz VEEACEVANOIDAK-QZTJIDSGSA-N 0 3 425.574 -0.338 20 0 IBADHN COCCCNC(=O)[C@H](C)N1CCN(C(=O)C(=O)NC[C@H](C)N2CCCCC2)CC1 ZINC000793710896 1073827930 /nfs/dbraw/zinc/82/79/30/1073827930.db2.gz VEEACEVANOIDAK-ROUUACIJSA-N 0 3 425.574 -0.338 20 0 IBADHN COCCCNC(=O)[C@@H](C)N1CCN(C(=O)C(=O)NC[C@H](C)N2CCCCC2)CC1 ZINC000793710899 1073827867 /nfs/dbraw/zinc/82/78/67/1073827867.db2.gz VEEACEVANOIDAK-ZWKOTPCHSA-N 0 3 425.574 -0.338 20 0 IBADHN C[C@@H](CNC(=O)C(=O)NCCC(=O)N1CCN(c2ncccn2)CC1)N1CCCCC1 ZINC000793713370 1073827975 /nfs/dbraw/zinc/82/79/75/1073827975.db2.gz OOBGDYXZXSHXOH-KRWDZBQOSA-N 0 3 431.541 -0.378 20 0 IBADHN C[C@H](CNC(=O)C(=O)NCCC(=O)N1CCN(c2ncccn2)CC1)N1CCCCC1 ZINC000793713371 1073827740 /nfs/dbraw/zinc/82/77/40/1073827740.db2.gz OOBGDYXZXSHXOH-QGZVFWFLSA-N 0 3 431.541 -0.378 20 0 IBADHN COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)NC[C@H](C)N2CCCCC2)C1 ZINC000793715460 1073827779 /nfs/dbraw/zinc/82/77/79/1073827779.db2.gz YQHAOVQMNMVBFE-DLBZAZTESA-N 0 3 432.587 -0.124 20 0 IBADHN COCCN(C)S(=O)(=O)[C@@H]1CCCN(C(=O)C(=O)NC[C@@H](C)N2CCCCC2)C1 ZINC000793715461 1073827714 /nfs/dbraw/zinc/82/77/14/1073827714.db2.gz YQHAOVQMNMVBFE-IAGOWNOFSA-N 0 3 432.587 -0.124 20 0 IBADHN COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)C(=O)NC[C@H](C)N2CCCCC2)C1 ZINC000793715462 1073828360 /nfs/dbraw/zinc/82/83/60/1073828360.db2.gz YQHAOVQMNMVBFE-IRXDYDNUSA-N 0 3 432.587 -0.124 20 0 IBADHN COCCN(C)S(=O)(=O)[C@H]1CCCN(C(=O)C(=O)NC[C@@H](C)N2CCCCC2)C1 ZINC000793715463 1073828334 /nfs/dbraw/zinc/82/83/34/1073828334.db2.gz YQHAOVQMNMVBFE-SJORKVTESA-N 0 3 432.587 -0.124 20 0 IBADHN CC(C)OCCS(=O)(=O)N1CCN(C(=O)C(=O)NC[C@H](C)N2CCCCC2)CC1 ZINC000793720181 1073828488 /nfs/dbraw/zinc/82/84/88/1073828488.db2.gz QCFYKJUHHONZGI-KRWDZBQOSA-N 0 3 432.587 -0.124 20 0 IBADHN CC(C)OCCS(=O)(=O)N1CCN(C(=O)C(=O)NC[C@@H](C)N2CCCCC2)CC1 ZINC000793720183 1073828507 /nfs/dbraw/zinc/82/85/07/1073828507.db2.gz QCFYKJUHHONZGI-QGZVFWFLSA-N 0 3 432.587 -0.124 20 0 IBADHN CN(C)C[C@H](Cc1ccccc1)NC(=O)C(=O)NC1CCN(CCS(C)(=O)=O)CC1 ZINC000793729258 1073829725 /nfs/dbraw/zinc/82/97/25/1073829725.db2.gz ZIGSLDSXOVBOCI-IBGZPJMESA-N 0 3 438.594 -0.099 20 0 IBADHN CN(C)C[C@@H](Cc1ccccc1)NC(=O)C(=O)NC1CCN(CCS(C)(=O)=O)CC1 ZINC000793729261 1073829851 /nfs/dbraw/zinc/82/98/51/1073829851.db2.gz ZIGSLDSXOVBOCI-LJQANCHMSA-N 0 3 438.594 -0.099 20 0 IBADHN C[C@H](CNC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1)N1CCCCC1 ZINC000793730692 1073831135 /nfs/dbraw/zinc/83/11/35/1073831135.db2.gz ZQKOLCDTYURRJT-GOSISDBHSA-N 0 3 445.568 -0.048 20 0 IBADHN C[C@@H](CNC(=O)C(=O)N1CCN(c2cc(N3CCOCC3)ncn2)CC1)N1CCCCC1 ZINC000793730697 1073831196 /nfs/dbraw/zinc/83/11/96/1073831196.db2.gz ZQKOLCDTYURRJT-SFHVURJKSA-N 0 3 445.568 -0.048 20 0 IBADHN O=C(COc1ccc(CCNC(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)cc1)NC1CC1 ZINC000793741634 1073832332 /nfs/dbraw/zinc/83/23/32/1073832332.db2.gz DPYLVXFEBHQWPW-AZUAARDMSA-N 0 3 444.532 -0.018 20 0 IBADHN O=C(COc1ccc(CCNC(=O)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)cc1)NC1CC1 ZINC000793741639 1073832529 /nfs/dbraw/zinc/83/25/29/1073832529.db2.gz DPYLVXFEBHQWPW-ICSRJNTNSA-N 0 3 444.532 -0.018 20 0 IBADHN O=C(COc1ccc(CCNC(=O)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)cc1)NC1CC1 ZINC000793741642 1073832254 /nfs/dbraw/zinc/83/22/54/1073832254.db2.gz DPYLVXFEBHQWPW-QUCCMNQESA-N 0 3 444.532 -0.018 20 0 IBADHN O=C(COc1ccc(CCNC(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)cc1)NC1CC1 ZINC000793741644 1073832581 /nfs/dbraw/zinc/83/25/81/1073832581.db2.gz DPYLVXFEBHQWPW-UYAOXDASSA-N 0 3 444.532 -0.018 20 0 IBADHN Cc1nccn1-c1ncccc1CNC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000793806255 1073834341 /nfs/dbraw/zinc/83/43/41/1073834341.db2.gz LDYCLMVCOLWKMG-UHFFFAOYSA-N 0 3 439.520 -0.041 20 0 IBADHN Cc1nccn1-c1ncccc1CNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000793807973 1073834493 /nfs/dbraw/zinc/83/44/93/1073834493.db2.gz AAZZUOKHHXGYKJ-GOSISDBHSA-N 0 3 439.520 -0.043 20 0 IBADHN Cc1nccn1-c1ncccc1CNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000793807974 1073834237 /nfs/dbraw/zinc/83/42/37/1073834237.db2.gz AAZZUOKHHXGYKJ-SFHVURJKSA-N 0 3 439.520 -0.043 20 0 IBADHN COCCN1CCC(NC(=O)C(=O)N2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)CC1 ZINC000793816072 1073835195 /nfs/dbraw/zinc/83/51/95/1073835195.db2.gz IJUXWYLBQXGSSA-INIZCTEOSA-N 0 3 428.530 -0.035 20 0 IBADHN COCCN1CCC(NC(=O)C(=O)N2CCO[C@H](CNC(=O)OC(C)(C)C)C2)CC1 ZINC000793816073 1073835021 /nfs/dbraw/zinc/83/50/21/1073835021.db2.gz IJUXWYLBQXGSSA-MRXNPFEDSA-N 0 3 428.530 -0.035 20 0 IBADHN COCCN1CCC(NC(=O)C(=O)N2CCC(Oc3ccnc(C(N)=O)c3)CC2)CC1 ZINC000793816177 1073835221 /nfs/dbraw/zinc/83/52/21/1073835221.db2.gz KNLXCBAEDTZASX-UHFFFAOYSA-N 0 3 433.509 -0.223 20 0 IBADHN CN(CCN(C)C1CC1)C(=O)C(=O)NCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000793824184 1073835676 /nfs/dbraw/zinc/83/56/76/1073835676.db2.gz AWEYCUSPURGKFH-UHFFFAOYSA-N 0 3 425.530 -0.266 20 0 IBADHN C[C@H](NC(=O)C(=O)NCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)C1=CCN(C)CC1 ZINC000793824318 1073835840 /nfs/dbraw/zinc/83/58/40/1073835840.db2.gz DCNQMJOMLFJDSV-HNNXBMFYSA-N 0 3 437.541 -0.052 20 0 IBADHN C[C@@H](NC(=O)C(=O)NCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)C1=CCN(C)CC1 ZINC000793824320 1073835862 /nfs/dbraw/zinc/83/58/62/1073835862.db2.gz DCNQMJOMLFJDSV-OAHLLOKOSA-N 0 3 437.541 -0.052 20 0 IBADHN CC(C)(C)OC(=O)N1CCN(C(=O)CNC(=O)C(=O)N[C@H]2CCN(CC3CC3)C2)CC1 ZINC000793827402 1073837964 /nfs/dbraw/zinc/83/79/64/1073837964.db2.gz IZWKGVJCVHKETP-INIZCTEOSA-N 0 3 437.541 -0.218 20 0 IBADHN CC(C)(C)OC(=O)N1CCN(C(=O)CNC(=O)C(=O)N[C@@H]2CCN(CC3CC3)C2)CC1 ZINC000793827409 1073838076 /nfs/dbraw/zinc/83/80/76/1073838076.db2.gz IZWKGVJCVHKETP-MRXNPFEDSA-N 0 3 437.541 -0.218 20 0 IBADHN CN(CCN1CCCC1)C(=O)C(=O)NCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000793829201 1073839980 /nfs/dbraw/zinc/83/99/80/1073839980.db2.gz VPBGKPCJOLELLT-UHFFFAOYSA-N 0 3 425.530 -0.264 20 0 IBADHN CC(C)N(CCN(C)C)C(=O)C(=O)NCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000793829214 1073839903 /nfs/dbraw/zinc/83/99/03/1073839903.db2.gz VWBTUZUFNQLHCP-UHFFFAOYSA-N 0 3 427.546 -0.020 20 0 IBADHN CC(C)(C)OC(=O)N1CCN(C(=O)CNC(=O)C(=O)N2CC[C@H](N3CCCC3)C2)CC1 ZINC000793830735 1073840471 /nfs/dbraw/zinc/84/04/71/1073840471.db2.gz RPUZFJSSRZJGGS-INIZCTEOSA-N 0 3 437.541 -0.121 20 0 IBADHN CC(C)(C)OC(=O)N1CCN(C(=O)CNC(=O)C(=O)N2CC[C@@H](N3CCCC3)C2)CC1 ZINC000793830738 1073840501 /nfs/dbraw/zinc/84/05/01/1073840501.db2.gz RPUZFJSSRZJGGS-MRXNPFEDSA-N 0 3 437.541 -0.121 20 0 IBADHN CCN1CCC[C@H]1CNC(=O)C(=O)NCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000793839044 1073834915 /nfs/dbraw/zinc/83/49/15/1073834915.db2.gz XATCRDWQKREAIY-HNNXBMFYSA-N 0 3 425.530 -0.218 20 0 IBADHN CCN1CCC[C@@H]1CNC(=O)C(=O)NCC(=O)N1CCN(C(=O)OC(C)(C)C)CC1 ZINC000793839046 1073835239 /nfs/dbraw/zinc/83/52/39/1073835239.db2.gz XATCRDWQKREAIY-OAHLLOKOSA-N 0 3 425.530 -0.218 20 0 IBADHN COc1cnccc1N1CCN(C(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)CC1 ZINC000794340294 1073844288 /nfs/dbraw/zinc/84/42/88/1073844288.db2.gz VBJKBHAKWAJYGW-AWEZNQCLSA-N 0 3 435.506 -0.096 20 0 IBADHN COc1cnccc1N1CCN(C(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)CC1 ZINC000794340299 1073844463 /nfs/dbraw/zinc/84/44/63/1073844463.db2.gz VBJKBHAKWAJYGW-CQSZACIVSA-N 0 3 435.506 -0.096 20 0 IBADHN CS(=O)(=O)NCC1CCN(CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)CC1 ZINC000796252188 1072635910 /nfs/dbraw/zinc/63/59/10/1072635910.db2.gz DXDGFQRATZPUFO-UHFFFAOYSA-N 0 3 429.543 -0.076 20 0 IBADHN O=C(NC[C@H]1CN2CCC[C@@H]2CO1)C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccn1 ZINC000796831390 1073001383 /nfs/dbraw/zinc/00/13/83/1073001383.db2.gz CEWLQEWTYILNTN-CABCVRRESA-N 0 3 437.522 -0.216 20 0 IBADHN O=C(NC[C@H]1CN2CCC[C@H]2CO1)C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccn1 ZINC000796831399 1073001419 /nfs/dbraw/zinc/00/14/19/1073001419.db2.gz CEWLQEWTYILNTN-GJZGRUSLSA-N 0 3 437.522 -0.216 20 0 IBADHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccn1 ZINC000796831401 1073001686 /nfs/dbraw/zinc/00/16/86/1073001686.db2.gz CEWLQEWTYILNTN-HUUCEWRRSA-N 0 3 437.522 -0.216 20 0 IBADHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccn1 ZINC000796831403 1073001889 /nfs/dbraw/zinc/00/18/89/1073001889.db2.gz CEWLQEWTYILNTN-LSDHHAIUSA-N 0 3 437.522 -0.216 20 0 IBADHN COc1cnccc1N1CCN(C(=O)C(=O)Nc2ccn(CCS(C)(=O)=O)n2)CC1 ZINC000797386087 1073006103 /nfs/dbraw/zinc/00/61/03/1073006103.db2.gz HWNGPJUNXUNVPM-UHFFFAOYSA-N 0 3 436.494 -0.381 20 0 IBADHN CON(C)S(=O)(=O)c1ccc(NC(=O)C(=O)NCCN2CCN(C)C(C)(C)C2)cc1 ZINC000799839779 1073021784 /nfs/dbraw/zinc/02/17/84/1073021784.db2.gz AYPKSOZDGYFLBW-UHFFFAOYSA-N 0 3 441.554 -0.051 20 0 IBADHN CN1CCC2(CC1)NC(=O)N(CN(CC(F)F)C1CCN(S(C)(=O)=O)CC1)C2=O ZINC000800865223 1072666742 /nfs/dbraw/zinc/66/67/42/1072666742.db2.gz FPIHIAUHLZWSIF-UHFFFAOYSA-N 0 3 437.513 -0.049 20 0 IBADHN COCCN(C)CCNC(=O)c1ccc(F)c(S(=O)(=O)N2CCN(C(C)=O)CC2)c1 ZINC000801147965 1072669764 /nfs/dbraw/zinc/66/97/64/1072669764.db2.gz LWFYTMPGMONEGF-UHFFFAOYSA-N 0 3 444.529 -0.014 20 0 IBADHN CC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)NC[C@@]3(O)CCN(C)C3)ccc2F)CC1 ZINC000801194690 1072673012 /nfs/dbraw/zinc/67/30/12/1072673012.db2.gz AYVNPHODCQCMGS-IBGZPJMESA-N 0 3 442.513 -0.525 20 0 IBADHN CC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)NC[C@]3(O)CCN(C)C3)ccc2F)CC1 ZINC000801194691 1072673083 /nfs/dbraw/zinc/67/30/83/1072673083.db2.gz AYVNPHODCQCMGS-LJQANCHMSA-N 0 3 442.513 -0.525 20 0 IBADHN CCN(CCO)CCNC(=O)c1ccc(F)c(S(=O)(=O)N2CCN(C(C)=O)CC2)c1 ZINC000801197259 1072673102 /nfs/dbraw/zinc/67/31/02/1072673102.db2.gz ZQWOQQRMTXLPFL-UHFFFAOYSA-N 0 3 444.529 -0.278 20 0 IBADHN COCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC000802447009 1072686669 /nfs/dbraw/zinc/68/66/69/1072686669.db2.gz HFVDWXREABFMGP-HNNXBMFYSA-N 0 3 443.574 -0.721 20 0 IBADHN COCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC000802447010 1072686705 /nfs/dbraw/zinc/68/67/05/1072686705.db2.gz HFVDWXREABFMGP-OAHLLOKOSA-N 0 3 443.574 -0.721 20 0 IBADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCOC)CC1 ZINC000802492099 1072687747 /nfs/dbraw/zinc/68/77/47/1072687747.db2.gz FGKMBKKDCXDXBC-HNNXBMFYSA-N 0 3 445.590 -0.475 20 0 IBADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCOC)CC1 ZINC000802492100 1072687718 /nfs/dbraw/zinc/68/77/18/1072687718.db2.gz FGKMBKKDCXDXBC-OAHLLOKOSA-N 0 3 445.590 -0.475 20 0 IBADHN O=C(NCc1ccccc1OCCN1CCOCC1)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000803217016 1072698191 /nfs/dbraw/zinc/69/81/91/1072698191.db2.gz RWNYBJVTNIJDLF-PMACEKPBSA-N 0 3 446.548 -0.007 20 0 IBADHN O=C(NCc1ccccc1OCCN1CCOCC1)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000803217022 1072698392 /nfs/dbraw/zinc/69/83/92/1072698392.db2.gz RWNYBJVTNIJDLF-UXHICEINSA-N 0 3 446.548 -0.007 20 0 IBADHN O=C(NCc1ccccc1OCCN1CCOCC1)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000803217023 1072698292 /nfs/dbraw/zinc/69/82/92/1072698292.db2.gz RWNYBJVTNIJDLF-VQTJNVASSA-N 0 3 446.548 -0.007 20 0 IBADHN O=C(NCc1ccccc1OCCN1CCOCC1)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000803217024 1072698341 /nfs/dbraw/zinc/69/83/41/1072698341.db2.gz RWNYBJVTNIJDLF-WOJBJXKFSA-N 0 3 446.548 -0.007 20 0 IBADHN O=C(NCc1cccc(OCCN2CCOCC2)c1)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000803217462 1072698315 /nfs/dbraw/zinc/69/83/15/1072698315.db2.gz CQTRJMLFFHLWFB-CTNGQTDRSA-N 0 3 446.548 -0.007 20 0 IBADHN O=C(NCc1cccc(OCCN2CCOCC2)c1)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000803217463 1072698362 /nfs/dbraw/zinc/69/83/62/1072698362.db2.gz CQTRJMLFFHLWFB-FPOVZHCZSA-N 0 3 446.548 -0.007 20 0 IBADHN O=C(NCc1cccc(OCCN2CCOCC2)c1)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000803217464 1072698235 /nfs/dbraw/zinc/69/82/35/1072698235.db2.gz CQTRJMLFFHLWFB-PZJWPPBQSA-N 0 3 446.548 -0.007 20 0 IBADHN O=C(NCc1cccc(OCCN2CCOCC2)c1)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000803217465 1072698067 /nfs/dbraw/zinc/69/80/67/1072698067.db2.gz CQTRJMLFFHLWFB-TZIWHRDSSA-N 0 3 446.548 -0.007 20 0 IBADHN O=C(CNC(=O)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1)N1CCN(c2ccccc2)CC1 ZINC000804005305 1072711189 /nfs/dbraw/zinc/71/11/89/1072711189.db2.gz XTHXNVNZTVGGAK-MOPGFXCFSA-N 0 3 429.521 -0.569 20 0 IBADHN O=C(CNC(=O)C(=O)NC[C@H]1CN2CCC[C@H]2CO1)N1CCN(c2ccccc2)CC1 ZINC000804005306 1072711358 /nfs/dbraw/zinc/71/13/58/1072711358.db2.gz XTHXNVNZTVGGAK-OALUTQOASA-N 0 3 429.521 -0.569 20 0 IBADHN O=C(CNC(=O)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1)N1CCN(c2ccccc2)CC1 ZINC000804005307 1072711405 /nfs/dbraw/zinc/71/14/05/1072711405.db2.gz XTHXNVNZTVGGAK-RBUKOAKNSA-N 0 3 429.521 -0.569 20 0 IBADHN O=C(CNC(=O)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1)N1CCN(c2ccccc2)CC1 ZINC000804005309 1072711151 /nfs/dbraw/zinc/71/11/51/1072711151.db2.gz XTHXNVNZTVGGAK-RTBURBONSA-N 0 3 429.521 -0.569 20 0 IBADHN C[C@H](CNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1)NC(=O)OC(C)(C)C ZINC000804042292 1072812672 /nfs/dbraw/zinc/81/26/72/1072812672.db2.gz KSPPURILQGOXRO-CABCVRRESA-N 0 3 425.530 -0.219 20 0 IBADHN C[C@@H](CNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1)NC(=O)OC(C)(C)C ZINC000804042293 1072812615 /nfs/dbraw/zinc/81/26/15/1072812615.db2.gz KSPPURILQGOXRO-GJZGRUSLSA-N 0 3 425.530 -0.219 20 0 IBADHN C[C@H](CNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1)NC(=O)OC(C)(C)C ZINC000804042294 1072812726 /nfs/dbraw/zinc/81/27/26/1072812726.db2.gz KSPPURILQGOXRO-HUUCEWRRSA-N 0 3 425.530 -0.219 20 0 IBADHN C[C@@H](CNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1)NC(=O)OC(C)(C)C ZINC000804042295 1072812797 /nfs/dbraw/zinc/81/27/97/1072812797.db2.gz KSPPURILQGOXRO-LSDHHAIUSA-N 0 3 425.530 -0.219 20 0 IBADHN C[C@@H](CNC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1)NC(=O)OC(C)(C)C ZINC000804047107 1072813226 /nfs/dbraw/zinc/81/32/26/1072813226.db2.gz AUYPIMSTOXSCDC-HNNXBMFYSA-N 0 3 425.530 -0.218 20 0 IBADHN C[C@H](CNC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1)NC(=O)OC(C)(C)C ZINC000804047108 1072813200 /nfs/dbraw/zinc/81/32/00/1072813200.db2.gz AUYPIMSTOXSCDC-OAHLLOKOSA-N 0 3 425.530 -0.218 20 0 IBADHN O=C(CCNC(=O)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1)N1CCN(c2ccccn2)CC1 ZINC000804049624 1072813880 /nfs/dbraw/zinc/81/38/80/1072813880.db2.gz FBCRDDKWULXCPR-MSOLQXFVSA-N 0 3 444.536 -0.784 20 0 IBADHN O=C(CCNC(=O)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1)N1CCN(c2ccccn2)CC1 ZINC000804049625 1072813780 /nfs/dbraw/zinc/81/37/80/1072813780.db2.gz FBCRDDKWULXCPR-QZTJIDSGSA-N 0 3 444.536 -0.784 20 0 IBADHN O=C(CCNC(=O)C(=O)NC[C@H]1CN2CCC[C@H]2CO1)N1CCN(c2ccccn2)CC1 ZINC000804049626 1072813991 /nfs/dbraw/zinc/81/39/91/1072813991.db2.gz FBCRDDKWULXCPR-ROUUACIJSA-N 0 3 444.536 -0.784 20 0 IBADHN O=C(CCNC(=O)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1)N1CCN(c2ccccn2)CC1 ZINC000804049627 1072814048 /nfs/dbraw/zinc/81/40/48/1072814048.db2.gz FBCRDDKWULXCPR-ZWKOTPCHSA-N 0 3 444.536 -0.784 20 0 IBADHN CS(=O)(=O)c1ccc(OCCNC(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)cc1 ZINC000804050388 1072814608 /nfs/dbraw/zinc/81/46/08/1072814608.db2.gz IYGBKYKCMRBAMI-GDBMZVCRSA-N 0 3 425.507 -0.436 20 0 IBADHN CS(=O)(=O)c1ccc(OCCNC(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)cc1 ZINC000804050416 1072814099 /nfs/dbraw/zinc/81/40/99/1072814099.db2.gz IYGBKYKCMRBAMI-GOEBONIOSA-N 0 3 425.507 -0.436 20 0 IBADHN CS(=O)(=O)c1ccc(OCCNC(=O)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)cc1 ZINC000804050418 1072814121 /nfs/dbraw/zinc/81/41/21/1072814121.db2.gz IYGBKYKCMRBAMI-HOCLYGCPSA-N 0 3 425.507 -0.436 20 0 IBADHN CS(=O)(=O)c1ccc(OCCNC(=O)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)cc1 ZINC000804050420 1072813659 /nfs/dbraw/zinc/81/36/59/1072813659.db2.gz IYGBKYKCMRBAMI-ZBFHGGJFSA-N 0 3 425.507 -0.436 20 0 IBADHN O=C(CN1CCN(C(=O)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)CC1)Nc1ccc(F)cc1 ZINC000804050428 1072813953 /nfs/dbraw/zinc/81/39/53/1072813953.db2.gz JBVQTFRYJPDEFH-MOPGFXCFSA-N 0 3 447.511 -0.112 20 0 IBADHN O=C(CN1CCN(C(=O)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)CC1)Nc1ccc(F)cc1 ZINC000804050429 1072813935 /nfs/dbraw/zinc/81/39/35/1072813935.db2.gz JBVQTFRYJPDEFH-OALUTQOASA-N 0 3 447.511 -0.112 20 0 IBADHN O=C(CN1CCN(C(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)CC1)Nc1ccc(F)cc1 ZINC000804050430 1072814010 /nfs/dbraw/zinc/81/40/10/1072814010.db2.gz JBVQTFRYJPDEFH-RBUKOAKNSA-N 0 3 447.511 -0.112 20 0 IBADHN O=C(CN1CCN(C(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)CC1)Nc1ccc(F)cc1 ZINC000804050431 1072813729 /nfs/dbraw/zinc/81/37/29/1072813729.db2.gz JBVQTFRYJPDEFH-RTBURBONSA-N 0 3 447.511 -0.112 20 0 IBADHN C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000804050606 1072813701 /nfs/dbraw/zinc/81/37/01/1072813701.db2.gz JYNLJRUYJSKDIB-CEXWTWQISA-N 0 3 430.553 -0.312 20 0 IBADHN C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000804050607 1072813917 /nfs/dbraw/zinc/81/39/17/1072813917.db2.gz JYNLJRUYJSKDIB-GUDVDZBRSA-N 0 3 430.553 -0.312 20 0 IBADHN C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000804050608 1072814078 /nfs/dbraw/zinc/81/40/78/1072814078.db2.gz JYNLJRUYJSKDIB-QRVBRYPASA-N 0 3 430.553 -0.312 20 0 IBADHN C[C@H](CN1CCN(c2ccccn2)CC1)NC(=O)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000804050609 1072813848 /nfs/dbraw/zinc/81/38/48/1072813848.db2.gz JYNLJRUYJSKDIB-QYZOEREBSA-N 0 3 430.553 -0.312 20 0 IBADHN CN1CCN(C(=O)CC2CCN(C(=O)C(=O)NC[C@H]3CN4CCC[C@@H]4CO3)CC2)CC1 ZINC000804051316 1072814573 /nfs/dbraw/zinc/81/45/73/1072814573.db2.gz PIOSVTOMWURTPQ-MOPGFXCFSA-N 0 3 435.569 -0.632 20 0 IBADHN CN1CCN(C(=O)CC2CCN(C(=O)C(=O)NC[C@H]3CN4CCC[C@H]4CO3)CC2)CC1 ZINC000804051317 1072814500 /nfs/dbraw/zinc/81/45/00/1072814500.db2.gz PIOSVTOMWURTPQ-OALUTQOASA-N 0 3 435.569 -0.632 20 0 IBADHN CN1CCN(C(=O)CC2CCN(C(=O)C(=O)NC[C@@H]3CN4CCC[C@H]4CO3)CC2)CC1 ZINC000804051318 1072814722 /nfs/dbraw/zinc/81/47/22/1072814722.db2.gz PIOSVTOMWURTPQ-RBUKOAKNSA-N 0 3 435.569 -0.632 20 0 IBADHN CN1CCN(C(=O)CC2CCN(C(=O)C(=O)NC[C@@H]3CN4CCC[C@@H]4CO3)CC2)CC1 ZINC000804051319 1072815384 /nfs/dbraw/zinc/81/53/84/1072815384.db2.gz PIOSVTOMWURTPQ-RTBURBONSA-N 0 3 435.569 -0.632 20 0 IBADHN C[C@@H]1CCC[C@H](NC(=O)CN2CCN(C(=O)C(=O)NC[C@@H]3CN4CCC[C@H]4CO3)CC2)C1 ZINC000804051529 1072814850 /nfs/dbraw/zinc/81/48/50/1072814850.db2.gz SIFWASKIKUKHGT-FUMNGEBKSA-N 0 3 449.596 -0.195 20 0 IBADHN C[C@@H]1CCC[C@H](NC(=O)CN2CCN(C(=O)C(=O)NC[C@H]3CN4CCC[C@H]4CO3)CC2)C1 ZINC000804051530 1072814750 /nfs/dbraw/zinc/81/47/50/1072814750.db2.gz SIFWASKIKUKHGT-FYQPLNBISA-N 0 3 449.596 -0.195 20 0 IBADHN C[C@@H]1CCC[C@H](NC(=O)CN2CCN(C(=O)C(=O)NC[C@@H]3CN4CCC[C@@H]4CO3)CC2)C1 ZINC000804051531 1072814651 /nfs/dbraw/zinc/81/46/51/1072814651.db2.gz SIFWASKIKUKHGT-IYWMVGAKSA-N 0 3 449.596 -0.195 20 0 IBADHN C[C@@H]1CCC[C@H](NC(=O)CN2CCN(C(=O)C(=O)NC[C@H]3CN4CCC[C@@H]4CO3)CC2)C1 ZINC000804051532 1072814443 /nfs/dbraw/zinc/81/44/43/1072814443.db2.gz SIFWASKIKUKHGT-WCIQWLHISA-N 0 3 449.596 -0.195 20 0 IBADHN O=C(CCNC(=O)C(=O)NC[C@H]1CN2CCC[C@H]2CO1)N1CCN(c2ccccc2)CC1 ZINC000804051829 1072814468 /nfs/dbraw/zinc/81/44/68/1072814468.db2.gz VUYBTDLMMZGIKK-PMACEKPBSA-N 0 3 443.548 -0.179 20 0 IBADHN O=C(CCNC(=O)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1)N1CCN(c2ccccc2)CC1 ZINC000804051830 1072814904 /nfs/dbraw/zinc/81/49/04/1072814904.db2.gz VUYBTDLMMZGIKK-UXHICEINSA-N 0 3 443.548 -0.179 20 0 IBADHN O=C(CCNC(=O)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1)N1CCN(c2ccccc2)CC1 ZINC000804051831 1072814547 /nfs/dbraw/zinc/81/45/47/1072814547.db2.gz VUYBTDLMMZGIKK-VQTJNVASSA-N 0 3 443.548 -0.179 20 0 IBADHN O=C(CCNC(=O)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1)N1CCN(c2ccccc2)CC1 ZINC000804051832 1072814790 /nfs/dbraw/zinc/81/47/90/1072814790.db2.gz VUYBTDLMMZGIKK-WOJBJXKFSA-N 0 3 443.548 -0.179 20 0 IBADHN C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)CCN1c1nccn2cnnc12 ZINC000804051854 1072814880 /nfs/dbraw/zinc/81/48/80/1072814880.db2.gz BNNHUYZYUBQHNK-BZUAXINKSA-N 0 3 428.497 -0.859 20 0 IBADHN C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)CCN1c1nccn2cnnc12 ZINC000804051856 1072814632 /nfs/dbraw/zinc/81/46/32/1072814632.db2.gz BNNHUYZYUBQHNK-OAGGEKHMSA-N 0 3 428.497 -0.859 20 0 IBADHN C[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)CCN1c1nccn2cnnc12 ZINC000804051858 1072814674 /nfs/dbraw/zinc/81/46/74/1072814674.db2.gz BNNHUYZYUBQHNK-OWCLPIDISA-N 0 3 428.497 -0.859 20 0 IBADHN C[C@@H]1CN(C(=O)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)CCN1c1nccn2cnnc12 ZINC000804051860 1072814822 /nfs/dbraw/zinc/81/48/22/1072814822.db2.gz BNNHUYZYUBQHNK-PMPSAXMXSA-N 0 3 428.497 -0.859 20 0 IBADHN O=C(CN1CCN(C(=O)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)CC1)N1CCCCCC1 ZINC000804052017 1072814524 /nfs/dbraw/zinc/81/45/24/1072814524.db2.gz AUWQUTIGVUCITB-MOPGFXCFSA-N 0 3 435.569 -0.487 20 0 IBADHN O=C(CN1CCN(C(=O)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)CC1)N1CCCCCC1 ZINC000804052018 1072814773 /nfs/dbraw/zinc/81/47/73/1072814773.db2.gz AUWQUTIGVUCITB-OALUTQOASA-N 0 3 435.569 -0.487 20 0 IBADHN O=C(CN1CCN(C(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)CC1)N1CCCCCC1 ZINC000804052019 1072814586 /nfs/dbraw/zinc/81/45/86/1072814586.db2.gz AUWQUTIGVUCITB-RBUKOAKNSA-N 0 3 435.569 -0.487 20 0 IBADHN O=C(CN1CCN(C(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)CC1)N1CCCCCC1 ZINC000804052020 1072814927 /nfs/dbraw/zinc/81/49/27/1072814927.db2.gz AUWQUTIGVUCITB-RTBURBONSA-N 0 3 435.569 -0.487 20 0 IBADHN CCOC(=O)c1ccc(N2CC(NC(=O)C(=O)NC[C@@H]3CN4CCC[C@H]4CO3)C2)nc1 ZINC000804052647 1072815719 /nfs/dbraw/zinc/81/57/19/1072815719.db2.gz DNTQMNIPSPOMMH-DLBZAZTESA-N 0 3 431.493 -0.458 20 0 IBADHN CCOC(=O)c1ccc(N2CC(NC(=O)C(=O)NC[C@@H]3CN4CCC[C@@H]4CO3)C2)nc1 ZINC000804052648 1072815574 /nfs/dbraw/zinc/81/55/74/1072815574.db2.gz DNTQMNIPSPOMMH-IAGOWNOFSA-N 0 3 431.493 -0.458 20 0 IBADHN CCOC(=O)c1ccc(N2CC(NC(=O)C(=O)NC[C@H]3CN4CCC[C@H]4CO3)C2)nc1 ZINC000804052649 1072815488 /nfs/dbraw/zinc/81/54/88/1072815488.db2.gz DNTQMNIPSPOMMH-IRXDYDNUSA-N 0 3 431.493 -0.458 20 0 IBADHN CCOC(=O)c1ccc(N2CC(NC(=O)C(=O)NC[C@H]3CN4CCC[C@@H]4CO3)C2)nc1 ZINC000804052650 1072815610 /nfs/dbraw/zinc/81/56/10/1072815610.db2.gz DNTQMNIPSPOMMH-SJORKVTESA-N 0 3 431.493 -0.458 20 0 IBADHN Cc1cc(NC(=O)CN2CCN(C(=O)C(=O)NC[C@H]3CN4CCC[C@@H]4CO3)CC2)no1 ZINC000804052705 1072815513 /nfs/dbraw/zinc/81/55/13/1072815513.db2.gz ZUEBOMHMSJNGCD-CVEARBPZSA-N 0 3 434.497 -0.955 20 0 IBADHN Cc1cc(NC(=O)CN2CCN(C(=O)C(=O)NC[C@H]3CN4CCC[C@H]4CO3)CC2)no1 ZINC000804052706 1072815425 /nfs/dbraw/zinc/81/54/25/1072815425.db2.gz ZUEBOMHMSJNGCD-HOTGVXAUSA-N 0 3 434.497 -0.955 20 0 IBADHN Cc1cc(NC(=O)CN2CCN(C(=O)C(=O)NC[C@@H]3CN4CCC[C@@H]4CO3)CC2)no1 ZINC000804052707 1072815680 /nfs/dbraw/zinc/81/56/80/1072815680.db2.gz ZUEBOMHMSJNGCD-HZPDHXFCSA-N 0 3 434.497 -0.955 20 0 IBADHN Cc1cc(NC(=O)CN2CCN(C(=O)C(=O)NC[C@@H]3CN4CCC[C@H]4CO3)CC2)no1 ZINC000804052708 1072815630 /nfs/dbraw/zinc/81/56/30/1072815630.db2.gz ZUEBOMHMSJNGCD-JKSUJKDBSA-N 0 3 434.497 -0.955 20 0 IBADHN O=C(CN1CCN(C(=O)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)CC1)NC1CCCCC1 ZINC000804053285 1072815706 /nfs/dbraw/zinc/81/57/06/1072815706.db2.gz JPYGAEUENKNTHE-MOPGFXCFSA-N 0 3 435.569 -0.441 20 0 IBADHN O=C(CN1CCN(C(=O)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)CC1)NC1CCCCC1 ZINC000804053286 1072815540 /nfs/dbraw/zinc/81/55/40/1072815540.db2.gz JPYGAEUENKNTHE-OALUTQOASA-N 0 3 435.569 -0.441 20 0 IBADHN O=C(CN1CCN(C(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)CC1)NC1CCCCC1 ZINC000804053287 1072815466 /nfs/dbraw/zinc/81/54/66/1072815466.db2.gz JPYGAEUENKNTHE-RBUKOAKNSA-N 0 3 435.569 -0.441 20 0 IBADHN O=C(CN1CCN(C(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)CC1)NC1CCCCC1 ZINC000804053288 1072816438 /nfs/dbraw/zinc/81/64/38/1072816438.db2.gz JPYGAEUENKNTHE-RTBURBONSA-N 0 3 435.569 -0.441 20 0 IBADHN CC(=O)N1CCN(c2ccccc2CNC(=O)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)CC1 ZINC000804054112 1072816406 /nfs/dbraw/zinc/81/64/06/1072816406.db2.gz ORQHGUVPRAPFCV-PMACEKPBSA-N 0 3 443.548 -0.049 20 0 IBADHN CC(=O)N1CCN(c2ccccc2CNC(=O)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000804054113 1072816600 /nfs/dbraw/zinc/81/66/00/1072816600.db2.gz ORQHGUVPRAPFCV-UXHICEINSA-N 0 3 443.548 -0.049 20 0 IBADHN CC(=O)N1CCN(c2ccccc2CNC(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)CC1 ZINC000804054114 1072816106 /nfs/dbraw/zinc/81/61/06/1072816106.db2.gz ORQHGUVPRAPFCV-VQTJNVASSA-N 0 3 443.548 -0.049 20 0 IBADHN CC(=O)N1CCN(c2ccccc2CNC(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000804054115 1072816541 /nfs/dbraw/zinc/81/65/41/1072816541.db2.gz ORQHGUVPRAPFCV-WOJBJXKFSA-N 0 3 443.548 -0.049 20 0 IBADHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)C(=O)N1CC(S(=O)(=O)N2CCc3ccccc32)C1 ZINC000804054468 1072816084 /nfs/dbraw/zinc/81/60/84/1072816084.db2.gz UBVUTKFTEJUEGE-DLBZAZTESA-N 0 3 448.545 -0.431 20 0 IBADHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)C(=O)N1CC(S(=O)(=O)N2CCc3ccccc32)C1 ZINC000804054469 1072816565 /nfs/dbraw/zinc/81/65/65/1072816565.db2.gz UBVUTKFTEJUEGE-IAGOWNOFSA-N 0 3 448.545 -0.431 20 0 IBADHN O=C(NC[C@H]1CN2CCC[C@H]2CO1)C(=O)N1CC(S(=O)(=O)N2CCc3ccccc32)C1 ZINC000804054470 1072816326 /nfs/dbraw/zinc/81/63/26/1072816326.db2.gz UBVUTKFTEJUEGE-IRXDYDNUSA-N 0 3 448.545 -0.431 20 0 IBADHN O=C(NC[C@H]1CN2CCC[C@@H]2CO1)C(=O)N1CC(S(=O)(=O)N2CCc3ccccc32)C1 ZINC000804054471 1072816188 /nfs/dbraw/zinc/81/61/88/1072816188.db2.gz UBVUTKFTEJUEGE-SJORKVTESA-N 0 3 448.545 -0.431 20 0 IBADHN O=C(CN1CCN(C(=O)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)CC1)Nc1ccccc1 ZINC000804054668 1072816235 /nfs/dbraw/zinc/81/62/35/1072816235.db2.gz VUTVEYNFOVTBTP-MOPGFXCFSA-N 0 3 429.521 -0.251 20 0 IBADHN O=C(CN1CCN(C(=O)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)CC1)Nc1ccccc1 ZINC000804054670 1072816613 /nfs/dbraw/zinc/81/66/13/1072816613.db2.gz VUTVEYNFOVTBTP-OALUTQOASA-N 0 3 429.521 -0.251 20 0 IBADHN O=C(CN1CCN(C(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)CC1)Nc1ccccc1 ZINC000804054672 1072816295 /nfs/dbraw/zinc/81/62/95/1072816295.db2.gz VUTVEYNFOVTBTP-RBUKOAKNSA-N 0 3 429.521 -0.251 20 0 IBADHN O=C(CN1CCN(C(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)CC1)Nc1ccccc1 ZINC000804054674 1072816493 /nfs/dbraw/zinc/81/64/93/1072816493.db2.gz VUTVEYNFOVTBTP-RTBURBONSA-N 0 3 429.521 -0.251 20 0 IBADHN C[C@@H]1CCCCN1C(=O)CN1CCN(C(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)CC1 ZINC000804055812 1072816584 /nfs/dbraw/zinc/81/65/84/1072816584.db2.gz OWRLGXNEVWQSNX-CEXWTWQISA-N 0 3 435.569 -0.489 20 0 IBADHN C[C@@H]1CCCCN1C(=O)CN1CCN(C(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000804055816 1072816148 /nfs/dbraw/zinc/81/61/48/1072816148.db2.gz OWRLGXNEVWQSNX-GUDVDZBRSA-N 0 3 435.569 -0.489 20 0 IBADHN C[C@@H]1CCCCN1C(=O)CN1CCN(C(=O)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000804055820 1072816463 /nfs/dbraw/zinc/81/64/63/1072816463.db2.gz OWRLGXNEVWQSNX-QRVBRYPASA-N 0 3 435.569 -0.489 20 0 IBADHN C[C@@H]1CCCCN1C(=O)CN1CCN(C(=O)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)CC1 ZINC000804055825 1072816264 /nfs/dbraw/zinc/81/62/64/1072816264.db2.gz OWRLGXNEVWQSNX-QYZOEREBSA-N 0 3 435.569 -0.489 20 0 IBADHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)C(=O)NC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000804056109 1072817269 /nfs/dbraw/zinc/81/72/69/1072817269.db2.gz JPTIFFCPYUHGTG-CHWSQXEVSA-N 0 3 442.460 -0.604 20 0 IBADHN O=C(NC[C@H]1CN2CCC[C@@H]2CO1)C(=O)NC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000804056110 1072817120 /nfs/dbraw/zinc/81/71/20/1072817120.db2.gz JPTIFFCPYUHGTG-OLZOCXBDSA-N 0 3 442.460 -0.604 20 0 IBADHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)C(=O)NC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000804056111 1072817250 /nfs/dbraw/zinc/81/72/50/1072817250.db2.gz JPTIFFCPYUHGTG-QWHCGFSZSA-N 0 3 442.460 -0.604 20 0 IBADHN O=C(NC[C@H]1CN2CCC[C@H]2CO1)C(=O)NC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000804056112 1072817901 /nfs/dbraw/zinc/81/79/01/1072817901.db2.gz JPTIFFCPYUHGTG-STQMWFEESA-N 0 3 442.460 -0.604 20 0 IBADHN Cn1cc(-c2nc([C@@H]3COCCN3C(=O)C(=O)NC[C@H]3CN4CCC[C@H]4CO3)no2)cn1 ZINC000804056590 1072817127 /nfs/dbraw/zinc/81/71/27/1072817127.db2.gz FDGNJCXMNPZZAB-JYJNAYRXSA-N 0 3 445.480 -0.651 20 0 IBADHN Cn1cc(-c2nc([C@@H]3COCCN3C(=O)C(=O)NC[C@@H]3CN4CCC[C@@H]4CO3)no2)cn1 ZINC000804056591 1072817169 /nfs/dbraw/zinc/81/71/69/1072817169.db2.gz FDGNJCXMNPZZAB-OAGGEKHMSA-N 0 3 445.480 -0.651 20 0 IBADHN Cn1cc(-c2nc([C@@H]3COCCN3C(=O)C(=O)NC[C@H]3CN4CCC[C@@H]4CO3)no2)cn1 ZINC000804056593 1072817141 /nfs/dbraw/zinc/81/71/41/1072817141.db2.gz FDGNJCXMNPZZAB-PMPSAXMXSA-N 0 3 445.480 -0.651 20 0 IBADHN Cn1cc(-c2nc([C@@H]3COCCN3C(=O)C(=O)NC[C@@H]3CN4CCC[C@H]4CO3)no2)cn1 ZINC000804056595 1072817237 /nfs/dbraw/zinc/81/72/37/1072817237.db2.gz FDGNJCXMNPZZAB-XHSDSOJGSA-N 0 3 445.480 -0.651 20 0 IBADHN CC1CCC(NC(=O)CN2CCN(C(=O)C(=O)NC[C@@H]3CN4CCC[C@H]4CO3)CC2)CC1 ZINC000804056849 1072816631 /nfs/dbraw/zinc/81/66/31/1072816631.db2.gz SVKGXHKKIBNWSQ-GHBBCFCZSA-N 0 3 449.596 -0.195 20 0 IBADHN CC1CCC(NC(=O)CN2CCN(C(=O)C(=O)NC[C@H]3CN4CCC[C@H]4CO3)CC2)CC1 ZINC000804056851 1072816517 /nfs/dbraw/zinc/81/65/17/1072816517.db2.gz SVKGXHKKIBNWSQ-GUMHCPJTSA-N 0 3 449.596 -0.195 20 0 IBADHN CC1CCC(NC(=O)CN2CCN(C(=O)C(=O)NC[C@@H]3CN4CCC[C@@H]4CO3)CC2)CC1 ZINC000804056853 1072816379 /nfs/dbraw/zinc/81/63/79/1072816379.db2.gz SVKGXHKKIBNWSQ-NTFDOXNWSA-N 0 3 449.596 -0.195 20 0 IBADHN CC1CCC(NC(=O)CN2CCN(C(=O)C(=O)NC[C@H]3CN4CCC[C@@H]4CO3)CC2)CC1 ZINC000804056855 1072817048 /nfs/dbraw/zinc/81/70/48/1072817048.db2.gz SVKGXHKKIBNWSQ-TUNPWDSISA-N 0 3 449.596 -0.195 20 0 IBADHN COc1ccc(CN2CC[C@H](NC(=O)C(=O)NC[C@H]3CN4CCC[C@@H]4CO3)C2=O)cc1 ZINC000804056869 1072817069 /nfs/dbraw/zinc/81/70/69/1072817069.db2.gz GEYDJOSAYXXZMY-NEWSRXKRSA-N 0 3 430.505 -0.108 20 0 IBADHN COc1ccc(CN2CC[C@H](NC(=O)C(=O)NC[C@@H]3CN4CCC[C@@H]4CO3)C2=O)cc1 ZINC000804056871 1072817189 /nfs/dbraw/zinc/81/71/89/1072817189.db2.gz GEYDJOSAYXXZMY-QRQLOZEOSA-N 0 3 430.505 -0.108 20 0 IBADHN COc1ccc(CN2CC[C@H](NC(=O)C(=O)NC[C@@H]3CN4CCC[C@H]4CO3)C2=O)cc1 ZINC000804056872 1072817107 /nfs/dbraw/zinc/81/71/07/1072817107.db2.gz GEYDJOSAYXXZMY-UHOSZYNNSA-N 0 3 430.505 -0.108 20 0 IBADHN COc1ccc(CN2CC[C@H](NC(=O)C(=O)NC[C@H]3CN4CCC[C@H]4CO3)C2=O)cc1 ZINC000804056873 1072817178 /nfs/dbraw/zinc/81/71/78/1072817178.db2.gz GEYDJOSAYXXZMY-WDSOQIARSA-N 0 3 430.505 -0.108 20 0 IBADHN CCN1CCN(C(=O)CC2CCN(C(=O)C(=O)NC[C@H]3CN4CCC[C@H]4CO3)CC2)CC1 ZINC000804056889 1072817137 /nfs/dbraw/zinc/81/71/37/1072817137.db2.gz TUXSENZKCUYBCR-PMACEKPBSA-N 0 3 449.596 -0.241 20 0 IBADHN CCN1CCN(C(=O)CC2CCN(C(=O)C(=O)NC[C@H]3CN4CCC[C@@H]4CO3)CC2)CC1 ZINC000804056891 1072817021 /nfs/dbraw/zinc/81/70/21/1072817021.db2.gz TUXSENZKCUYBCR-UXHICEINSA-N 0 3 449.596 -0.241 20 0 IBADHN CCN1CCN(C(=O)CC2CCN(C(=O)C(=O)NC[C@@H]3CN4CCC[C@H]4CO3)CC2)CC1 ZINC000804056893 1072817098 /nfs/dbraw/zinc/81/70/98/1072817098.db2.gz TUXSENZKCUYBCR-VQTJNVASSA-N 0 3 449.596 -0.241 20 0 IBADHN CCN1CCN(C(=O)CC2CCN(C(=O)C(=O)NC[C@@H]3CN4CCC[C@@H]4CO3)CC2)CC1 ZINC000804056895 1072817161 /nfs/dbraw/zinc/81/71/61/1072817161.db2.gz TUXSENZKCUYBCR-WOJBJXKFSA-N 0 3 449.596 -0.241 20 0 IBADHN CN(C(=O)CN1CCN(C(=O)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)CC1)C1CCCCC1 ZINC000804057262 1072817777 /nfs/dbraw/zinc/81/77/77/1072817777.db2.gz OTTLIRAQDODPOI-PMACEKPBSA-N 0 3 449.596 -0.099 20 0 IBADHN CN(C(=O)CN1CCN(C(=O)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)CC1)C1CCCCC1 ZINC000804057264 1072817726 /nfs/dbraw/zinc/81/77/26/1072817726.db2.gz OTTLIRAQDODPOI-UXHICEINSA-N 0 3 449.596 -0.099 20 0 IBADHN CN(C(=O)CN1CCN(C(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)CC1)C1CCCCC1 ZINC000804057265 1072817824 /nfs/dbraw/zinc/81/78/24/1072817824.db2.gz OTTLIRAQDODPOI-VQTJNVASSA-N 0 3 449.596 -0.099 20 0 IBADHN CN(C(=O)CN1CCN(C(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)CC1)C1CCCCC1 ZINC000804057266 1072818595 /nfs/dbraw/zinc/81/85/95/1072818595.db2.gz OTTLIRAQDODPOI-WOJBJXKFSA-N 0 3 449.596 -0.099 20 0 IBADHN CCOC(=O)c1ccc(N2CCN(C(=O)C(=O)NC[C@H]3CN4CCC[C@@H]4CO3)CC2)nc1 ZINC000804057657 1072818095 /nfs/dbraw/zinc/81/80/95/1072818095.db2.gz QMYUDIAYOSXJKL-MSOLQXFVSA-N 0 3 445.520 -0.114 20 0 IBADHN CCOC(=O)c1ccc(N2CCN(C(=O)C(=O)NC[C@@H]3CN4CCC[C@@H]4CO3)CC2)nc1 ZINC000804057661 1072817755 /nfs/dbraw/zinc/81/77/55/1072817755.db2.gz QMYUDIAYOSXJKL-QZTJIDSGSA-N 0 3 445.520 -0.114 20 0 IBADHN CCOC(=O)c1ccc(N2CCN(C(=O)C(=O)NC[C@H]3CN4CCC[C@H]4CO3)CC2)nc1 ZINC000804057664 1072818033 /nfs/dbraw/zinc/81/80/33/1072818033.db2.gz QMYUDIAYOSXJKL-ROUUACIJSA-N 0 3 445.520 -0.114 20 0 IBADHN CCOC(=O)c1ccc(N2CCN(C(=O)C(=O)NC[C@@H]3CN4CCC[C@H]4CO3)CC2)nc1 ZINC000804057668 1072817936 /nfs/dbraw/zinc/81/79/36/1072817936.db2.gz QMYUDIAYOSXJKL-ZWKOTPCHSA-N 0 3 445.520 -0.114 20 0 IBADHN C[C@H](C(=O)NC1CCCC1)N1CCN(C(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000804057724 1072817815 /nfs/dbraw/zinc/81/78/15/1072817815.db2.gz QUTLYAOJEBFZRZ-BHIYHBOVSA-N 0 3 435.569 -0.443 20 0 IBADHN C[C@H](C(=O)NC1CCCC1)N1CCN(C(=O)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)CC1 ZINC000804057726 1072817700 /nfs/dbraw/zinc/81/77/00/1072817700.db2.gz QUTLYAOJEBFZRZ-NEWSRXKRSA-N 0 3 435.569 -0.443 20 0 IBADHN C[C@H](C(=O)NC1CCCC1)N1CCN(C(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)CC1 ZINC000804057728 1072817797 /nfs/dbraw/zinc/81/77/97/1072817797.db2.gz QUTLYAOJEBFZRZ-NZSAHSFTSA-N 0 3 435.569 -0.443 20 0 IBADHN C[C@H](C(=O)NC1CCCC1)N1CCN(C(=O)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000804057731 1072818153 /nfs/dbraw/zinc/81/81/53/1072818153.db2.gz QUTLYAOJEBFZRZ-QRQLOZEOSA-N 0 3 435.569 -0.443 20 0 IBADHN CN1CCN(C(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000804057751 1072817998 /nfs/dbraw/zinc/81/79/98/1072817998.db2.gz XYOQZFPUIZCFFI-BRWVUGGUSA-N 0 3 439.557 -0.367 20 0 IBADHN CN1CCN(C(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC000804057752 1072817969 /nfs/dbraw/zinc/81/79/69/1072817969.db2.gz XYOQZFPUIZCFFI-GVDBMIGSSA-N 0 3 439.557 -0.367 20 0 IBADHN CN1CCN(C(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000804057753 1072818124 /nfs/dbraw/zinc/81/81/24/1072818124.db2.gz XYOQZFPUIZCFFI-IXDOHACOSA-N 0 3 439.557 -0.367 20 0 IBADHN CN1CCN(C(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC000804057754 1072817659 /nfs/dbraw/zinc/81/76/59/1072817659.db2.gz XYOQZFPUIZCFFI-YESZJQIVSA-N 0 3 439.557 -0.367 20 0 IBADHN Cc1ccc(S(=O)(=O)NCCN(C)C(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)cc1 ZINC000804058196 1072818557 /nfs/dbraw/zinc/81/85/57/1072818557.db2.gz DEHZNKSLEUWVCV-DLBZAZTESA-N 0 3 438.550 -0.289 20 0 IBADHN Cc1ccc(S(=O)(=O)NCCN(C)C(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)cc1 ZINC000804058199 1072818918 /nfs/dbraw/zinc/81/89/18/1072818918.db2.gz DEHZNKSLEUWVCV-IAGOWNOFSA-N 0 3 438.550 -0.289 20 0 IBADHN Cc1ccc(S(=O)(=O)NCCN(C)C(=O)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)cc1 ZINC000804058201 1072818866 /nfs/dbraw/zinc/81/88/66/1072818866.db2.gz DEHZNKSLEUWVCV-IRXDYDNUSA-N 0 3 438.550 -0.289 20 0 IBADHN Cc1ccc(S(=O)(=O)NCCN(C)C(=O)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)cc1 ZINC000804058203 1072818708 /nfs/dbraw/zinc/81/87/08/1072818708.db2.gz DEHZNKSLEUWVCV-SJORKVTESA-N 0 3 438.550 -0.289 20 0 IBADHN NC(=O)c1cc(OC2CCN(C(=O)C(=O)NC[C@H]3CN4CCC[C@@H]4CO3)CC2)ccn1 ZINC000804058797 1072818639 /nfs/dbraw/zinc/81/86/39/1072818639.db2.gz IYKJIGWEXHBFKM-PBHICJAKSA-N 0 3 431.493 -0.470 20 0 IBADHN NC(=O)c1cc(OC2CCN(C(=O)C(=O)NC[C@@H]3CN4CCC[C@@H]4CO3)CC2)ccn1 ZINC000804058799 1072818906 /nfs/dbraw/zinc/81/89/06/1072818906.db2.gz IYKJIGWEXHBFKM-RHSMWYFYSA-N 0 3 431.493 -0.470 20 0 IBADHN NC(=O)c1cc(OC2CCN(C(=O)C(=O)NC[C@@H]3CN4CCC[C@H]4CO3)CC2)ccn1 ZINC000804058802 1072818857 /nfs/dbraw/zinc/81/88/57/1072818857.db2.gz IYKJIGWEXHBFKM-WMLDXEAASA-N 0 3 431.493 -0.470 20 0 IBADHN NC(=O)c1cc(OC2CCN(C(=O)C(=O)NC[C@H]3CN4CCC[C@H]4CO3)CC2)ccn1 ZINC000804058805 1072818735 /nfs/dbraw/zinc/81/87/35/1072818735.db2.gz IYKJIGWEXHBFKM-YOEHRIQHSA-N 0 3 431.493 -0.470 20 0 IBADHN COc1cccc(CC(=O)N2CCN(C(=O)C(=O)NC[C@@H]3CN4CCC[C@H]4CO3)CC2)c1 ZINC000804059061 1072818528 /nfs/dbraw/zinc/81/85/28/1072818528.db2.gz JYGLBQRDCVBVNY-AZUAARDMSA-N 0 3 444.532 -0.112 20 0 IBADHN COc1cccc(CC(=O)N2CCN(C(=O)C(=O)NC[C@H]3CN4CCC[C@H]4CO3)CC2)c1 ZINC000804059065 1072818675 /nfs/dbraw/zinc/81/86/75/1072818675.db2.gz JYGLBQRDCVBVNY-ICSRJNTNSA-N 0 3 444.532 -0.112 20 0 IBADHN COc1cccc(CC(=O)N2CCN(C(=O)C(=O)NC[C@H]3CN4CCC[C@@H]4CO3)CC2)c1 ZINC000804059067 1072818927 /nfs/dbraw/zinc/81/89/27/1072818927.db2.gz JYGLBQRDCVBVNY-QUCCMNQESA-N 0 3 444.532 -0.112 20 0 IBADHN COc1cccc(CC(=O)N2CCN(C(=O)C(=O)NC[C@@H]3CN4CCC[C@@H]4CO3)CC2)c1 ZINC000804059068 1072818848 /nfs/dbraw/zinc/81/88/48/1072818848.db2.gz JYGLBQRDCVBVNY-UYAOXDASSA-N 0 3 444.532 -0.112 20 0 IBADHN C[C@@H]1C[C@H](C)CN(C(=O)CN2CCN(C(=O)C(=O)NC[C@@H]3CN4CCC[C@@H]4CO3)CC2)C1 ZINC000804059211 1072819511 /nfs/dbraw/zinc/81/95/11/1072819511.db2.gz HYHGDXZBHQNJIA-IYWMVGAKSA-N 0 3 449.596 -0.386 20 0 IBADHN C[C@@H]1C[C@H](C)CN(C(=O)CN2CCN(C(=O)C(=O)NC[C@H]3CN4CCC[C@@H]4CO3)CC2)C1 ZINC000804059212 1072819450 /nfs/dbraw/zinc/81/94/50/1072819450.db2.gz HYHGDXZBHQNJIA-WCIQWLHISA-N 0 3 449.596 -0.386 20 0 IBADHN C[C@@H]1C[C@H](C)CN(C(=O)CN2CCN(C(=O)C(=O)NC[C@H]3CN4CCC[C@H]4CO3)CC2)C1 ZINC000804059213 1072819684 /nfs/dbraw/zinc/81/96/84/1072819684.db2.gz HYHGDXZBHQNJIA-YRPNKDGESA-N 0 3 449.596 -0.386 20 0 IBADHN C[C@@H]1C[C@H](C)CN(C(=O)CN2CCN(C(=O)C(=O)NC[C@@H]3CN4CCC[C@H]4CO3)CC2)C1 ZINC000804059214 1072819633 /nfs/dbraw/zinc/81/96/33/1072819633.db2.gz HYHGDXZBHQNJIA-ZGXWSNOMSA-N 0 3 449.596 -0.386 20 0 IBADHN CCOc1ccnc(N2CCCN(C(=O)C(=O)NC[C@@H]3CN4CCC[C@H]4CO3)CC2)n1 ZINC000804059366 1072819407 /nfs/dbraw/zinc/81/94/07/1072819407.db2.gz ZQQKJSPZGUATIL-DLBZAZTESA-N 0 3 432.525 -0.107 20 0 IBADHN CCOc1ccnc(N2CCCN(C(=O)C(=O)NC[C@@H]3CN4CCC[C@@H]4CO3)CC2)n1 ZINC000804059369 1072819656 /nfs/dbraw/zinc/81/96/56/1072819656.db2.gz ZQQKJSPZGUATIL-IAGOWNOFSA-N 0 3 432.525 -0.107 20 0 IBADHN CCOc1ccnc(N2CCCN(C(=O)C(=O)NC[C@H]3CN4CCC[C@H]4CO3)CC2)n1 ZINC000804059370 1072819555 /nfs/dbraw/zinc/81/95/55/1072819555.db2.gz ZQQKJSPZGUATIL-IRXDYDNUSA-N 0 3 432.525 -0.107 20 0 IBADHN CCOc1ccnc(N2CCCN(C(=O)C(=O)NC[C@H]3CN4CCC[C@@H]4CO3)CC2)n1 ZINC000804059372 1072819492 /nfs/dbraw/zinc/81/94/92/1072819492.db2.gz ZQQKJSPZGUATIL-SJORKVTESA-N 0 3 432.525 -0.107 20 0 IBADHN O=C(COc1ccc(F)cc1)N1CCN(C(=O)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)CC1 ZINC000804059467 1072818498 /nfs/dbraw/zinc/81/84/98/1072818498.db2.gz IMJYGVPFSSRUIT-HKUYNNGSSA-N 0 3 448.495 -0.145 20 0 IBADHN O=C(COc1ccc(F)cc1)N1CCN(C(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000804059468 1072818834 /nfs/dbraw/zinc/81/88/34/1072818834.db2.gz IMJYGVPFSSRUIT-IEBWSBKVSA-N 0 3 448.495 -0.145 20 0 IBADHN O=C(COc1ccc(F)cc1)N1CCN(C(=O)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)CC1 ZINC000804059469 1072818759 /nfs/dbraw/zinc/81/87/59/1072818759.db2.gz IMJYGVPFSSRUIT-MJGOQNOKSA-N 0 3 448.495 -0.145 20 0 IBADHN O=C(COc1ccc(F)cc1)N1CCN(C(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)CC1 ZINC000804059470 1072819369 /nfs/dbraw/zinc/81/93/69/1072819369.db2.gz IMJYGVPFSSRUIT-PKOBYXMFSA-N 0 3 448.495 -0.145 20 0 IBADHN O=C(NC[C@H]1CN2CCC[C@@H]2CO1)C(=O)N1CCN(Cc2nccn2C(F)F)CC1 ZINC000804059551 1072819470 /nfs/dbraw/zinc/81/94/70/1072819470.db2.gz JJYWGAIJTONLBV-CABCVRRESA-N 0 3 426.468 -0.098 20 0 IBADHN O=C(NC[C@H]1CN2CCC[C@H]2CO1)C(=O)N1CCN(Cc2nccn2C(F)F)CC1 ZINC000804059552 1072819760 /nfs/dbraw/zinc/81/97/60/1072819760.db2.gz JJYWGAIJTONLBV-GJZGRUSLSA-N 0 3 426.468 -0.098 20 0 IBADHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)C(=O)N1CCN(Cc2nccn2C(F)F)CC1 ZINC000804059553 1072819341 /nfs/dbraw/zinc/81/93/41/1072819341.db2.gz JJYWGAIJTONLBV-HUUCEWRRSA-N 0 3 426.468 -0.098 20 0 IBADHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)C(=O)N1CCN(Cc2nccn2C(F)F)CC1 ZINC000804059554 1072819537 /nfs/dbraw/zinc/81/95/37/1072819537.db2.gz JJYWGAIJTONLBV-LSDHHAIUSA-N 0 3 426.468 -0.098 20 0 IBADHN CC(C)(C)OC(=O)NC[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)CCO1 ZINC000804060408 1072820143 /nfs/dbraw/zinc/82/01/43/1072820143.db2.gz OFBITRCXTOUWFE-ARFHVFGLSA-N 0 3 426.514 -0.282 20 0 IBADHN CC(C)(C)OC(=O)NC[C@@H]1CN(C(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)CCO1 ZINC000804060410 1072820332 /nfs/dbraw/zinc/82/03/32/1072820332.db2.gz OFBITRCXTOUWFE-BZUAXINKSA-N 0 3 426.514 -0.282 20 0 IBADHN CC(C)(C)OC(=O)NC[C@@H]1CN(C(=O)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)CCO1 ZINC000804060412 1072820102 /nfs/dbraw/zinc/82/01/02/1072820102.db2.gz OFBITRCXTOUWFE-OAGGEKHMSA-N 0 3 426.514 -0.282 20 0 IBADHN CC(C)(C)OC(=O)NC[C@@H]1CN(C(=O)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)CCO1 ZINC000804060414 1072820313 /nfs/dbraw/zinc/82/03/13/1072820313.db2.gz OFBITRCXTOUWFE-XHSDSOJGSA-N 0 3 426.514 -0.282 20 0 IBADHN O=C(CN1CCN(C(=O)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)CC1)NCc1ccccc1 ZINC000804060594 1072819609 /nfs/dbraw/zinc/81/96/09/1072819609.db2.gz PBVBCAOCMQVMTK-PMACEKPBSA-N 0 3 443.548 -0.574 20 0 IBADHN O=C(CN1CCN(C(=O)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)CC1)NCc1ccccc1 ZINC000804060598 1072819576 /nfs/dbraw/zinc/81/95/76/1072819576.db2.gz PBVBCAOCMQVMTK-UXHICEINSA-N 0 3 443.548 -0.574 20 0 IBADHN O=C(CN1CCN(C(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)CC1)NCc1ccccc1 ZINC000804060600 1072819595 /nfs/dbraw/zinc/81/95/95/1072819595.db2.gz PBVBCAOCMQVMTK-VQTJNVASSA-N 0 3 443.548 -0.574 20 0 IBADHN O=C(CN1CCN(C(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)CC1)NCc1ccccc1 ZINC000804060602 1072819733 /nfs/dbraw/zinc/81/97/33/1072819733.db2.gz PBVBCAOCMQVMTK-WOJBJXKFSA-N 0 3 443.548 -0.574 20 0 IBADHN Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)s1 ZINC000804060613 1072819706 /nfs/dbraw/zinc/81/97/06/1072819706.db2.gz PCECZXPVGNSNIS-KBPBESRZSA-N 0 3 430.552 -0.570 20 0 IBADHN Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)s1 ZINC000804060615 1072819390 /nfs/dbraw/zinc/81/93/90/1072819390.db2.gz PCECZXPVGNSNIS-KGLIPLIRSA-N 0 3 430.552 -0.570 20 0 IBADHN Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)s1 ZINC000804060617 1072820131 /nfs/dbraw/zinc/82/01/31/1072820131.db2.gz PCECZXPVGNSNIS-UONOGXRCSA-N 0 3 430.552 -0.570 20 0 IBADHN Cc1ccc(S(=O)(=O)NCCNC(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)s1 ZINC000804060618 1072820459 /nfs/dbraw/zinc/82/04/59/1072820459.db2.gz PCECZXPVGNSNIS-ZIAGYGMSSA-N 0 3 430.552 -0.570 20 0 IBADHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)C(=O)N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 ZINC000804061122 1072820494 /nfs/dbraw/zinc/82/04/94/1072820494.db2.gz WIPPYBZRHSSXFP-KSZLIROESA-N 0 3 442.582 -0.181 20 0 IBADHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)C(=O)N1CCC[C@H](S(=O)(=O)NC2CCCC2)C1 ZINC000804061123 1072820190 /nfs/dbraw/zinc/82/01/90/1072820190.db2.gz WIPPYBZRHSSXFP-KURKYZTESA-N 0 3 442.582 -0.181 20 0 IBADHN O=C(NC[C@@H]1CN2CCC[C@@H]2CO1)C(=O)N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 ZINC000804061124 1072820426 /nfs/dbraw/zinc/82/04/26/1072820426.db2.gz WIPPYBZRHSSXFP-KZNAEPCWSA-N 0 3 442.582 -0.181 20 0 IBADHN O=C(NC[C@@H]1CN2CCC[C@H]2CO1)C(=O)N1CCC[C@@H](S(=O)(=O)NC2CCCC2)C1 ZINC000804061125 1072820399 /nfs/dbraw/zinc/82/03/99/1072820399.db2.gz WIPPYBZRHSSXFP-RCCFBDPRSA-N 0 3 442.582 -0.181 20 0 IBADHN O=C(NCc1cccc(N2CCCS2(=O)=O)c1)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000804061888 1072820121 /nfs/dbraw/zinc/82/01/21/1072820121.db2.gz XEJACWVJSUEGND-MSOLQXFVSA-N 0 3 436.534 -0.178 20 0 IBADHN O=C(NCc1cccc(N2CCCS2(=O)=O)c1)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000804061889 1072820248 /nfs/dbraw/zinc/82/02/48/1072820248.db2.gz XEJACWVJSUEGND-QZTJIDSGSA-N 0 3 436.534 -0.178 20 0 IBADHN O=C(NCc1cccc(N2CCCS2(=O)=O)c1)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000804061890 1072820170 /nfs/dbraw/zinc/82/01/70/1072820170.db2.gz XEJACWVJSUEGND-ROUUACIJSA-N 0 3 436.534 -0.178 20 0 IBADHN O=C(NCc1cccc(N2CCCS2(=O)=O)c1)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000804061891 1072820115 /nfs/dbraw/zinc/82/01/15/1072820115.db2.gz XEJACWVJSUEGND-ZWKOTPCHSA-N 0 3 436.534 -0.178 20 0 IBADHN O=C(NCc1ccc(N2CCCS2(=O)=O)cc1)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000804062479 1072820527 /nfs/dbraw/zinc/82/05/27/1072820527.db2.gz GUNVAUACLBDITO-MSOLQXFVSA-N 0 3 436.534 -0.178 20 0 IBADHN O=C(NCc1ccc(N2CCCS2(=O)=O)cc1)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000804062480 1072820207 /nfs/dbraw/zinc/82/02/07/1072820207.db2.gz GUNVAUACLBDITO-QZTJIDSGSA-N 0 3 436.534 -0.178 20 0 IBADHN O=C(NCc1ccc(N2CCCS2(=O)=O)cc1)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000804062481 1072820277 /nfs/dbraw/zinc/82/02/77/1072820277.db2.gz GUNVAUACLBDITO-ROUUACIJSA-N 0 3 436.534 -0.178 20 0 IBADHN O=C(NCc1ccc(N2CCCS2(=O)=O)cc1)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000804062482 1072821030 /nfs/dbraw/zinc/82/10/30/1072821030.db2.gz GUNVAUACLBDITO-ZWKOTPCHSA-N 0 3 436.534 -0.178 20 0 IBADHN O=C(NCCN1CCN(C(=O)C2CCCCC2)CC1)C(=O)NC[C@H]1CN2CCC[C@H]2CO1 ZINC000804064221 1072821007 /nfs/dbraw/zinc/82/10/07/1072821007.db2.gz WPHCMQSDEPBXMI-PMACEKPBSA-N 0 3 449.596 -0.194 20 0 IBADHN O=C(NCCN1CCN(C(=O)C2CCCCC2)CC1)C(=O)NC[C@H]1CN2CCC[C@@H]2CO1 ZINC000804064222 1072821061 /nfs/dbraw/zinc/82/10/61/1072821061.db2.gz WPHCMQSDEPBXMI-UXHICEINSA-N 0 3 449.596 -0.194 20 0 IBADHN O=C(NCCN1CCN(C(=O)C2CCCCC2)CC1)C(=O)NC[C@@H]1CN2CCC[C@H]2CO1 ZINC000804064223 1072820937 /nfs/dbraw/zinc/82/09/37/1072820937.db2.gz WPHCMQSDEPBXMI-VQTJNVASSA-N 0 3 449.596 -0.194 20 0 IBADHN O=C(NCCN1CCN(C(=O)C2CCCCC2)CC1)C(=O)NC[C@@H]1CN2CCC[C@@H]2CO1 ZINC000804064224 1072821092 /nfs/dbraw/zinc/82/10/92/1072821092.db2.gz WPHCMQSDEPBXMI-WOJBJXKFSA-N 0 3 449.596 -0.194 20 0 IBADHN CN(CCNC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1)C(=O)OC(C)(C)C ZINC000804178194 1073299960 /nfs/dbraw/zinc/29/99/60/1073299960.db2.gz LTAVFIAXRTUSCT-HNNXBMFYSA-N 0 3 425.530 -0.266 20 0 IBADHN CN(CCNC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1)C(=O)OC(C)(C)C ZINC000804178195 1073299917 /nfs/dbraw/zinc/29/99/17/1073299917.db2.gz LTAVFIAXRTUSCT-OAHLLOKOSA-N 0 3 425.530 -0.266 20 0 IBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NCCN(C)C(=O)OC(C)(C)C)CC1 ZINC000804182372 1073299983 /nfs/dbraw/zinc/29/99/83/1073299983.db2.gz XNFGPHIKBLJRIE-UHFFFAOYSA-N 0 3 427.546 -0.018 20 0 IBADHN CN(CCNC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1)C(=O)OC(C)(C)C ZINC000804183201 1073300662 /nfs/dbraw/zinc/30/06/62/1073300662.db2.gz OKBALBMECXIYCF-UHFFFAOYSA-N 0 3 425.530 -0.264 20 0 IBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)N1CCC[C@@H]1C[C@@H](O)c1cnn(C)c1 ZINC000804259733 1073521819 /nfs/dbraw/zinc/52/18/19/1073521819.db2.gz ZGYRBXZLOMEBMB-CEXWTWQISA-N 0 3 448.568 -0.107 20 0 IBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)N1CCC[C@H]1C[C@H](O)c1cnn(C)c1 ZINC000804259734 1073521787 /nfs/dbraw/zinc/52/17/87/1073521787.db2.gz ZGYRBXZLOMEBMB-FHWLQOOXSA-N 0 3 448.568 -0.107 20 0 IBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)N1CCC[C@H]1C[C@@H](O)c1cnn(C)c1 ZINC000804259735 1073521705 /nfs/dbraw/zinc/52/17/05/1073521705.db2.gz ZGYRBXZLOMEBMB-GBESFXJTSA-N 0 3 448.568 -0.107 20 0 IBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)N1CCC[C@@H]1C[C@H](O)c1cnn(C)c1 ZINC000804259736 1073521873 /nfs/dbraw/zinc/52/18/73/1073521873.db2.gz ZGYRBXZLOMEBMB-QYZOEREBSA-N 0 3 448.568 -0.107 20 0 IBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)N(C)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000804260723 1073529572 /nfs/dbraw/zinc/52/95/72/1073529572.db2.gz MTSQRBIKXWDEMY-KBPBESRZSA-N 0 3 449.474 -0.333 20 0 IBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)N(C)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000804260727 1073529627 /nfs/dbraw/zinc/52/96/27/1073529627.db2.gz MTSQRBIKXWDEMY-KGLIPLIRSA-N 0 3 449.474 -0.333 20 0 IBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)N(C)[C@H]1CCN(CC(F)(F)F)C1=O ZINC000804260730 1073529810 /nfs/dbraw/zinc/52/98/10/1073529810.db2.gz MTSQRBIKXWDEMY-UONOGXRCSA-N 0 3 449.474 -0.333 20 0 IBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)N(C)[C@@H]1CCN(CC(F)(F)F)C1=O ZINC000804260733 1073529449 /nfs/dbraw/zinc/52/94/49/1073529449.db2.gz MTSQRBIKXWDEMY-ZIAGYGMSSA-N 0 3 449.474 -0.333 20 0 IBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)N1CCC[C@H]([C@H](O)c2nccn2C)C1 ZINC000804260862 1073529757 /nfs/dbraw/zinc/52/97/57/1073529757.db2.gz OCJVRVBNAHPCPI-BZSNNMDCSA-N 0 3 448.568 -0.249 20 0 IBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)N1CCC[C@@H]([C@@H](O)c2nccn2C)C1 ZINC000804260863 1073529701 /nfs/dbraw/zinc/52/97/01/1073529701.db2.gz OCJVRVBNAHPCPI-FGTMMUONSA-N 0 3 448.568 -0.249 20 0 IBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)N1CCC[C@H]([C@@H](O)c2nccn2C)C1 ZINC000804260864 1073529533 /nfs/dbraw/zinc/52/95/33/1073529533.db2.gz OCJVRVBNAHPCPI-OKZBNKHCSA-N 0 3 448.568 -0.249 20 0 IBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)N1CCC[C@@H]([C@H](O)c2nccn2C)C1 ZINC000804260865 1073529657 /nfs/dbraw/zinc/52/96/57/1073529657.db2.gz OCJVRVBNAHPCPI-SQNIBIBYSA-N 0 3 448.568 -0.249 20 0 IBADHN CC(C)COC(=O)N1CCN(C(=O)C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)CC1 ZINC000804261049 1073527558 /nfs/dbraw/zinc/52/75/58/1073527558.db2.gz ZNPMQDGYBKOFPA-KRWDZBQOSA-N 0 3 439.557 -0.018 20 0 IBADHN CC(C)COC(=O)N1CCN(C(=O)C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC000804261051 1073527408 /nfs/dbraw/zinc/52/74/08/1073527408.db2.gz ZNPMQDGYBKOFPA-QGZVFWFLSA-N 0 3 439.557 -0.018 20 0 IBADHN COC(=O)[C@]12CN(C(=O)C(=O)NCCCN3CCC[C@H]3C(=O)N(C)C)C[C@H]1COCC2 ZINC000804261294 1073537472 /nfs/dbraw/zinc/53/74/72/1073537472.db2.gz WGMYAQRNCJKWMT-CKJXQJPGSA-N 0 3 438.525 -0.917 20 0 IBADHN COC(=O)[C@]12CN(C(=O)C(=O)NCCCN3CCC[C@@H]3C(=O)N(C)C)C[C@H]1COCC2 ZINC000804261295 1073537512 /nfs/dbraw/zinc/53/75/12/1073537512.db2.gz WGMYAQRNCJKWMT-GCKMJXCFSA-N 0 3 438.525 -0.917 20 0 IBADHN CCOC(=O)N[C@@H]1CCCN(C(=O)C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)C1 ZINC000804261315 1073536910 /nfs/dbraw/zinc/53/69/10/1073536910.db2.gz OLHWZWFLHDJAIF-CVEARBPZSA-N 0 3 425.530 -0.218 20 0 IBADHN CCOC(=O)N[C@H]1CCCN(C(=O)C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)C1 ZINC000804261316 1073536956 /nfs/dbraw/zinc/53/69/56/1073536956.db2.gz OLHWZWFLHDJAIF-HOTGVXAUSA-N 0 3 425.530 -0.218 20 0 IBADHN CCOC(=O)N[C@@H]1CCCN(C(=O)C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000804261317 1073537146 /nfs/dbraw/zinc/53/71/46/1073537146.db2.gz OLHWZWFLHDJAIF-HZPDHXFCSA-N 0 3 425.530 -0.218 20 0 IBADHN CCOC(=O)N[C@H]1CCCN(C(=O)C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000804261318 1073537110 /nfs/dbraw/zinc/53/71/10/1073537110.db2.gz OLHWZWFLHDJAIF-JKSUJKDBSA-N 0 3 425.530 -0.218 20 0 IBADHN CCOC(=O)N1CCCN(C(=O)C(=O)NCCCN2CCC[C@H]2C(=O)N(C)C)CC1 ZINC000804261677 1073534391 /nfs/dbraw/zinc/53/43/91/1073534391.db2.gz TTZKEUVNQDZKGJ-INIZCTEOSA-N 0 3 425.530 -0.264 20 0 IBADHN CCOC(=O)N1CCCN(C(=O)C(=O)NCCCN2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC000804261678 1073534621 /nfs/dbraw/zinc/53/46/21/1073534621.db2.gz TTZKEUVNQDZKGJ-MRXNPFEDSA-N 0 3 425.530 -0.264 20 0 IBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)NC[C@@H]1COC2(CCOCC2)O1 ZINC000804261695 1073534557 /nfs/dbraw/zinc/53/45/57/1073534557.db2.gz UBRVUTNNJRHNML-CVEARBPZSA-N 0 3 426.514 -0.916 20 0 IBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)NC[C@H]1COC2(CCOCC2)O1 ZINC000804261696 1073534768 /nfs/dbraw/zinc/53/47/68/1073534768.db2.gz UBRVUTNNJRHNML-HOTGVXAUSA-N 0 3 426.514 -0.916 20 0 IBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)NC[C@@H]1COC2(CCOCC2)O1 ZINC000804261697 1073534513 /nfs/dbraw/zinc/53/45/13/1073534513.db2.gz UBRVUTNNJRHNML-HZPDHXFCSA-N 0 3 426.514 -0.916 20 0 IBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)NC[C@H]1COC2(CCOCC2)O1 ZINC000804261698 1073534416 /nfs/dbraw/zinc/53/44/16/1073534416.db2.gz UBRVUTNNJRHNML-JKSUJKDBSA-N 0 3 426.514 -0.916 20 0 IBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C(=O)NC1CN(C(=O)OC(C)(C)C)C1 ZINC000804261699 1073534480 /nfs/dbraw/zinc/53/44/80/1073534480.db2.gz UBXKFFAGMQIPGV-HNNXBMFYSA-N 0 3 425.530 -0.219 20 0 IBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C(=O)NC1CN(C(=O)OC(C)(C)C)C1 ZINC000804261700 1073534667 /nfs/dbraw/zinc/53/46/67/1073534667.db2.gz UBXKFFAGMQIPGV-OAHLLOKOSA-N 0 3 425.530 -0.219 20 0 IBADHN Cn1cc([C@@H](O)C(=O)NCCN(CCN2CCCCC2)C(=O)[C@@H](O)c2cnn(C)c2)cn1 ZINC000804589444 1073849418 /nfs/dbraw/zinc/84/94/18/1073849418.db2.gz AIYAFNUJDPVBIY-MOPGFXCFSA-N 0 3 447.540 -0.649 20 0 IBADHN Cn1cc([C@H](O)C(=O)NCCN(CCN2CCCCC2)C(=O)[C@@H](O)c2cnn(C)c2)cn1 ZINC000804589445 1073849468 /nfs/dbraw/zinc/84/94/68/1073849468.db2.gz AIYAFNUJDPVBIY-OALUTQOASA-N 0 3 447.540 -0.649 20 0 IBADHN Cn1cc([C@@H](O)C(=O)N(CCNC(=O)[C@@H](O)c2cnn(C)c2)CCN2CCCCC2)cn1 ZINC000804589446 1073849447 /nfs/dbraw/zinc/84/94/47/1073849447.db2.gz AIYAFNUJDPVBIY-RBUKOAKNSA-N 0 3 447.540 -0.649 20 0 IBADHN Cn1cc([C@@H](O)C(=O)NCCN(CCN2CCCCC2)C(=O)[C@H](O)c2cnn(C)c2)cn1 ZINC000804589447 1073850069 /nfs/dbraw/zinc/85/00/69/1073850069.db2.gz AIYAFNUJDPVBIY-RTBURBONSA-N 0 3 447.540 -0.649 20 0 IBADHN O=C(NCCN(CCN1CCCCC1)C(=O)C1(O)CCOCC1)C1(O)CCOCC1 ZINC000804590558 1073850112 /nfs/dbraw/zinc/85/01/12/1073850112.db2.gz IGEPQVMEXUVYTD-UHFFFAOYSA-N 0 3 427.542 -0.500 20 0 IBADHN CN1N=C(C(=O)NCCN(CCN2CCCCC2)C(=O)C2=NN(C)C(=O)CC2)CCC1=O ZINC000804590905 1073849820 /nfs/dbraw/zinc/84/98/20/1073849820.db2.gz QZPBZTRFXIROQR-UHFFFAOYSA-N 0 3 447.540 -0.367 20 0 IBADHN O=C(N[C@H]1CCN(CC2CC2)C1)C(=O)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 ZINC000804729424 1073856457 /nfs/dbraw/zinc/85/64/57/1073856457.db2.gz KDVOVWUEAMSYMT-INIZCTEOSA-N 0 3 445.545 -0.120 20 0 IBADHN O=C(N[C@@H]1CCN(CC2CC2)C1)C(=O)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 ZINC000804729428 1073856230 /nfs/dbraw/zinc/85/62/30/1073856230.db2.gz KDVOVWUEAMSYMT-MRXNPFEDSA-N 0 3 445.545 -0.120 20 0 IBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NC2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000804750995 1073855333 /nfs/dbraw/zinc/85/53/33/1073855333.db2.gz RNEBMRQIOLLLHI-UHFFFAOYSA-N 0 3 425.530 -0.266 20 0 IBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCC2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000804751978 1073855678 /nfs/dbraw/zinc/85/56/78/1073855678.db2.gz HSOVATPQAISOKR-INIZCTEOSA-N 0 3 437.541 -0.266 20 0 IBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCC2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000804751979 1073855987 /nfs/dbraw/zinc/85/59/87/1073855987.db2.gz HSOVATPQAISOKR-MRXNPFEDSA-N 0 3 437.541 -0.266 20 0 IBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NCC2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000804755080 1073855802 /nfs/dbraw/zinc/85/58/02/1073855802.db2.gz IAILQMBYYWJVMG-UHFFFAOYSA-N 0 3 439.557 -0.018 20 0 IBADHN CC(C)(C)OC(=O)N1CC(CNC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000804756909 1073856955 /nfs/dbraw/zinc/85/69/55/1073856955.db2.gz VNWWBROGWZLUFZ-UHFFFAOYSA-N 0 3 437.541 -0.264 20 0 IBADHN CN(C)CCN(C)C(=O)C(=O)NCCNc1ncnc2c1c(Br)nn2C ZINC000804850256 1073859716 /nfs/dbraw/zinc/85/97/16/1073859716.db2.gz DCDLNACIKKAYFL-UHFFFAOYSA-N 0 3 427.307 -0.326 20 0 IBADHN CCOC(=O)C(=O)c1cc(S(=O)(=O)N2CCN(C(=O)CN3CCCC3)CC2)cn1C ZINC000804986507 1073864331 /nfs/dbraw/zinc/86/43/31/1073864331.db2.gz LRPFLXPZDKRXMJ-UHFFFAOYSA-N 0 3 440.522 -0.300 20 0 IBADHN CCOC(=O)C(=O)c1cc(S(=O)(=O)N2CCN(C(=O)CN(CC)CC)CC2)cn1C ZINC000804990513 1073863138 /nfs/dbraw/zinc/86/31/38/1073863138.db2.gz SHMMUEFDRTVLHI-UHFFFAOYSA-N 0 3 442.538 -0.054 20 0 IBADHN CCOC(=O)C(=O)c1cc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)cn1C ZINC000805037379 1073867657 /nfs/dbraw/zinc/86/76/57/1073867657.db2.gz PSIJCKYOZIZWPX-HNNXBMFYSA-N 0 3 440.522 -0.302 20 0 IBADHN CCOC(=O)C(=O)c1cc(S(=O)(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)cn1C ZINC000805037384 1073867540 /nfs/dbraw/zinc/86/75/40/1073867540.db2.gz PSIJCKYOZIZWPX-OAHLLOKOSA-N 0 3 440.522 -0.302 20 0 IBADHN CN(CCN(CCN1CCCC1)C(=O)C1=NN(C)C(=O)CC1)C(=O)C1=NN(C)C(=O)CC1 ZINC000805200379 1073869758 /nfs/dbraw/zinc/86/97/58/1073869758.db2.gz ABPNUMOBFOEQFH-UHFFFAOYSA-N 0 3 447.540 -0.414 20 0 IBADHN CN(CCN(CCN1CCCC1)C(=O)C1(O)CCOCC1)C(=O)C1(O)CCOCC1 ZINC000805201153 1073869707 /nfs/dbraw/zinc/86/97/07/1073869707.db2.gz QXZHQADZFMFCEX-UHFFFAOYSA-N 0 3 427.542 -0.548 20 0 IBADHN CN(CCN(CCN1CCCC1)C(=O)[C@@H](O)c1cnn(C)c1)C(=O)[C@H](O)c1cnn(C)c1 ZINC000805202484 1073870178 /nfs/dbraw/zinc/87/01/78/1073870178.db2.gz QIXQQZGSSOSGGV-MOPGFXCFSA-N 0 3 447.540 -0.697 20 0 IBADHN CN(CCN(CCN1CCCC1)C(=O)[C@@H](O)c1cnn(C)c1)C(=O)[C@@H](O)c1cnn(C)c1 ZINC000805202485 1073870218 /nfs/dbraw/zinc/87/02/18/1073870218.db2.gz QIXQQZGSSOSGGV-OALUTQOASA-N 0 3 447.540 -0.697 20 0 IBADHN CN(CCN(CCN1CCCC1)C(=O)[C@H](O)c1cnn(C)c1)C(=O)[C@@H](O)c1cnn(C)c1 ZINC000805202486 1073870048 /nfs/dbraw/zinc/87/00/48/1073870048.db2.gz QIXQQZGSSOSGGV-RBUKOAKNSA-N 0 3 447.540 -0.697 20 0 IBADHN CN(CCN(CCN1CCCC1)C(=O)[C@H](O)c1cnn(C)c1)C(=O)[C@H](O)c1cnn(C)c1 ZINC000805202487 1073870259 /nfs/dbraw/zinc/87/02/59/1073870259.db2.gz QIXQQZGSSOSGGV-RTBURBONSA-N 0 3 447.540 -0.697 20 0 IBADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)C(=O)NC1CCN(CCS(C)(=O)=O)CC1 ZINC000805380435 1073874754 /nfs/dbraw/zinc/87/47/54/1073874754.db2.gz PVEOEFRDVKCHET-KRWDZBQOSA-N 0 3 432.587 -0.819 20 0 IBADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)C(=O)NC1CCN(CCS(C)(=O)=O)CC1 ZINC000805380436 1073874575 /nfs/dbraw/zinc/87/45/75/1073874575.db2.gz PVEOEFRDVKCHET-QGZVFWFLSA-N 0 3 432.587 -0.819 20 0 IBADHN CN(C)CCN(Cc1ccco1)C(=O)C(=O)NC1CCN(CCS(C)(=O)=O)CC1 ZINC000805380859 1073874654 /nfs/dbraw/zinc/87/46/54/1073874654.db2.gz AMZVURBHALJRHQ-UHFFFAOYSA-N 0 3 428.555 -0.205 20 0 IBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCC[S@](=O)Cc2ccccc2)CC1 ZINC000805403129 1073872339 /nfs/dbraw/zinc/87/23/39/1073872339.db2.gz JMSVQDDIGGQOAS-JJCDCTGGSA-N 0 3 434.562 -0.184 20 0 IBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCC[S@](=O)Cc2ccccc2)CC1 ZINC000805403130 1073872368 /nfs/dbraw/zinc/87/23/68/1073872368.db2.gz JMSVQDDIGGQOAS-PBYQXAPXSA-N 0 3 434.562 -0.184 20 0 IBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C(=O)NCC[S@@](=O)Cc2ccccc2)CC1 ZINC000805403131 1073872520 /nfs/dbraw/zinc/87/25/20/1073872520.db2.gz JMSVQDDIGGQOAS-VPTFNQTCSA-N 0 3 434.562 -0.184 20 0 IBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C(=O)NCC[S@@](=O)Cc2ccccc2)CC1 ZINC000805403132 1073872454 /nfs/dbraw/zinc/87/24/54/1073872454.db2.gz JMSVQDDIGGQOAS-YVGXBJCXSA-N 0 3 434.562 -0.184 20 0 IBADHN O=C(CN1CCCC1)N1CCN(C(=O)C(=O)NCC[S@](=O)Cc2ccccc2)CC1 ZINC000805417172 1073875735 /nfs/dbraw/zinc/87/57/35/1073875735.db2.gz GBEZAPOTUUWBEY-PMERELPUSA-N 0 3 434.562 -0.182 20 0 IBADHN O=C(CN1CCCC1)N1CCN(C(=O)C(=O)NCC[S@@](=O)Cc2ccccc2)CC1 ZINC000805417173 1073876090 /nfs/dbraw/zinc/87/60/90/1073876090.db2.gz GBEZAPOTUUWBEY-SSEXGKCCSA-N 0 3 434.562 -0.182 20 0 IBADHN COCCN(CCN(C)C)C(=O)C(=O)NCC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000806101083 1073885320 /nfs/dbraw/zinc/88/53/20/1073885320.db2.gz MQQHSBYQPIOOPT-UHFFFAOYSA-N 0 3 446.492 -0.299 20 0 IBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NC[C@H]2COC3(CCOCC3)O2)CC1 ZINC000806714854 1073899633 /nfs/dbraw/zinc/89/96/33/1073899633.db2.gz ITTIDWSUXXJWAX-INIZCTEOSA-N 0 3 426.514 -0.963 20 0 IBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)NC[C@@H]2COC3(CCOCC3)O2)CC1 ZINC000806714855 1073899599 /nfs/dbraw/zinc/89/95/99/1073899599.db2.gz ITTIDWSUXXJWAX-MRXNPFEDSA-N 0 3 426.514 -0.963 20 0 IBADHN C[C@H](CNC(=O)OC(C)(C)C)NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000806761023 1073901345 /nfs/dbraw/zinc/90/13/45/1073901345.db2.gz WWEMTXZXWNMROA-CABCVRRESA-N 0 3 425.530 -0.219 20 0 IBADHN C[C@H](CNC(=O)OC(C)(C)C)NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000806761024 1073901298 /nfs/dbraw/zinc/90/12/98/1073901298.db2.gz WWEMTXZXWNMROA-HUUCEWRRSA-N 0 3 425.530 -0.219 20 0 IBADHN C[C@H](CNC(=O)OC(C)(C)C)NC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000806764197 1073901424 /nfs/dbraw/zinc/90/14/24/1073901424.db2.gz ZSSLGHZGUFEPCW-OAHLLOKOSA-N 0 3 425.530 -0.218 20 0 IBADHN C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC000806765303 1073901380 /nfs/dbraw/zinc/90/13/80/1073901380.db2.gz WWEMTXZXWNMROA-GJZGRUSLSA-N 0 3 425.530 -0.219 20 0 IBADHN C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC000806765305 1073901405 /nfs/dbraw/zinc/90/14/05/1073901405.db2.gz WWEMTXZXWNMROA-LSDHHAIUSA-N 0 3 425.530 -0.219 20 0 IBADHN C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC000806769399 1073901810 /nfs/dbraw/zinc/90/18/10/1073901810.db2.gz ZSSLGHZGUFEPCW-HNNXBMFYSA-N 0 3 425.530 -0.218 20 0 IBADHN CN1CCN(CCNC(=O)C(=O)N2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)CC1(C)C ZINC000806786582 1073902459 /nfs/dbraw/zinc/90/24/59/1073902459.db2.gz PUQBXKWVVBAXOW-INIZCTEOSA-N 0 3 441.573 -0.119 20 0 IBADHN CN1CCN(CCNC(=O)C(=O)N2CCO[C@H](CNC(=O)OC(C)(C)C)C2)CC1(C)C ZINC000806786583 1073902525 /nfs/dbraw/zinc/90/25/25/1073902525.db2.gz PUQBXKWVVBAXOW-MRXNPFEDSA-N 0 3 441.573 -0.119 20 0 IBADHN CN1CCN(CCNC(=O)C(=O)N2CCC(Oc3ccnc(C(N)=O)c3)CC2)CC1(C)C ZINC000806787291 1073902317 /nfs/dbraw/zinc/90/23/17/1073902317.db2.gz GXHRASLTRAWZOC-UHFFFAOYSA-N 0 3 446.552 -0.308 20 0 IBADHN CN(C)S(=O)(=O)c1cc(NC(=O)C(=O)NC[C@H]2CN3CCC[C@H]3CO2)ccc1F ZINC000806902923 1073905562 /nfs/dbraw/zinc/90/55/62/1073905562.db2.gz JBZZOYBRHCDMFW-KBPBESRZSA-N 0 3 428.486 -0.006 20 0 IBADHN CN(C)S(=O)(=O)c1cc(NC(=O)C(=O)NC[C@H]2CN3CCC[C@@H]3CO2)ccc1F ZINC000806902924 1073905593 /nfs/dbraw/zinc/90/55/93/1073905593.db2.gz JBZZOYBRHCDMFW-KGLIPLIRSA-N 0 3 428.486 -0.006 20 0 IBADHN CN(C)S(=O)(=O)c1cc(NC(=O)C(=O)NC[C@@H]2CN3CCC[C@H]3CO2)ccc1F ZINC000806902925 1073905482 /nfs/dbraw/zinc/90/54/82/1073905482.db2.gz JBZZOYBRHCDMFW-UONOGXRCSA-N 0 3 428.486 -0.006 20 0 IBADHN CN(C)S(=O)(=O)c1cc(NC(=O)C(=O)NC[C@@H]2CN3CCC[C@@H]3CO2)ccc1F ZINC000806902926 1073905611 /nfs/dbraw/zinc/90/56/11/1073905611.db2.gz JBZZOYBRHCDMFW-ZIAGYGMSSA-N 0 3 428.486 -0.006 20 0 IBADHN COCCCN(C)CCNC(=O)C(=O)NC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000807457473 1073917585 /nfs/dbraw/zinc/91/75/85/1073917585.db2.gz DYUIYZAZFCGYKV-UHFFFAOYSA-N 0 3 432.465 -0.499 20 0 IBADHN Cc1ccc(N2CC[C@@H](NC(=O)C(=O)N3CCN(C(=O)[C@@H]4CCCN4C)CC3)C2=O)cc1 ZINC000807585739 1073920660 /nfs/dbraw/zinc/92/06/60/1073920660.db2.gz REFQZBGZNWHTRY-MOPGFXCFSA-N 0 3 441.532 -0.018 20 0 IBADHN Cc1ccc(N2CC[C@H](NC(=O)C(=O)N3CCN(C(=O)[C@@H]4CCCN4C)CC3)C2=O)cc1 ZINC000807585757 1073920713 /nfs/dbraw/zinc/92/07/13/1073920713.db2.gz REFQZBGZNWHTRY-OALUTQOASA-N 0 3 441.532 -0.018 20 0 IBADHN Cc1ccc(N2CC[C@H](NC(=O)C(=O)N3CCN(C(=O)[C@H]4CCCN4C)CC3)C2=O)cc1 ZINC000807585758 1073920690 /nfs/dbraw/zinc/92/06/90/1073920690.db2.gz REFQZBGZNWHTRY-RBUKOAKNSA-N 0 3 441.532 -0.018 20 0 IBADHN Cc1ccc(N2CC[C@@H](NC(=O)C(=O)N3CCN(C(=O)[C@H]4CCCN4C)CC3)C2=O)cc1 ZINC000807585759 1073920536 /nfs/dbraw/zinc/92/05/36/1073920536.db2.gz REFQZBGZNWHTRY-RTBURBONSA-N 0 3 441.532 -0.018 20 0 IBADHN Cc1ccc(N2CC[C@H](NC(=O)C(=O)N3CCN(C(=O)CN4CCCC4)CC3)C2=O)cc1 ZINC000807590268 1073920598 /nfs/dbraw/zinc/92/05/98/1073920598.db2.gz YRFIRUNYHPOELR-IBGZPJMESA-N 0 3 441.532 -0.017 20 0 IBADHN Cc1ccc(N2CC[C@@H](NC(=O)C(=O)N3CCN(C(=O)CN4CCCC4)CC3)C2=O)cc1 ZINC000807590270 1073920077 /nfs/dbraw/zinc/92/00/77/1073920077.db2.gz YRFIRUNYHPOELR-LJQANCHMSA-N 0 3 441.532 -0.017 20 0 IBADHN COCCN(CCN(C)C)C(=O)C(=O)NC1CCN(S(=O)(=O)C(F)(F)F)CC1 ZINC000807782436 1073925780 /nfs/dbraw/zinc/92/57/80/1073925780.db2.gz WPDLAJXHTWYUKJ-UHFFFAOYSA-N 0 3 432.465 -0.547 20 0 IBADHN COC(=O)N1CCC([C@H](C)NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)CC1 ZINC000807828127 1073931245 /nfs/dbraw/zinc/93/12/45/1073931245.db2.gz JPBVDLDMEGPRTF-DOTOQJQBSA-N 0 3 437.541 -0.266 20 0 IBADHN COC(=O)N1CCC([C@@H](C)NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)CC1 ZINC000807828128 1073931060 /nfs/dbraw/zinc/93/10/60/1073931060.db2.gz JPBVDLDMEGPRTF-NVXWUHKLSA-N 0 3 437.541 -0.266 20 0 IBADHN COC(=O)N1CCC([C@H](C)NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)CC1 ZINC000807828129 1073931127 /nfs/dbraw/zinc/93/11/27/1073931127.db2.gz JPBVDLDMEGPRTF-RDJZCZTQSA-N 0 3 437.541 -0.266 20 0 IBADHN COC(=O)N1CCC([C@@H](C)NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)CC1 ZINC000807828131 1073931755 /nfs/dbraw/zinc/93/17/55/1073931755.db2.gz JPBVDLDMEGPRTF-WBVHZDCISA-N 0 3 437.541 -0.266 20 0 IBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N[C@@H](C)C2CCN(C(=O)OC)CC2)CC1 ZINC000807832816 1073931799 /nfs/dbraw/zinc/93/17/99/1073931799.db2.gz CALPVZWVOIFSEJ-INIZCTEOSA-N 0 3 439.557 -0.018 20 0 IBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N[C@H](C)C2CCN(C(=O)OC)CC2)CC1 ZINC000807832817 1073932272 /nfs/dbraw/zinc/93/22/72/1073932272.db2.gz CALPVZWVOIFSEJ-MRXNPFEDSA-N 0 3 439.557 -0.018 20 0 IBADHN COC(=O)N1CCC([C@H](C)NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)CC1 ZINC000807835633 1073932265 /nfs/dbraw/zinc/93/22/65/1073932265.db2.gz YRXDVJFGQQSETB-INIZCTEOSA-N 0 3 437.541 -0.264 20 0 IBADHN COC(=O)N1CCC([C@@H](C)NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)CC1 ZINC000807835634 1073932285 /nfs/dbraw/zinc/93/22/85/1073932285.db2.gz YRXDVJFGQQSETB-MRXNPFEDSA-N 0 3 437.541 -0.264 20 0 IBADHN COC(=O)N1CCC[C@H]([C@@H](C)NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC000808025771 1073936254 /nfs/dbraw/zinc/93/62/54/1073936254.db2.gz DYIREFNGBBGBAI-IKGGRYGDSA-N 0 3 437.541 -0.266 20 0 IBADHN COC(=O)N1CCC[C@H]([C@@H](C)NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC000808025772 1073936354 /nfs/dbraw/zinc/93/63/54/1073936354.db2.gz DYIREFNGBBGBAI-IXDOHACOSA-N 0 3 437.541 -0.266 20 0 IBADHN COC(=O)N1CCC[C@H]([C@H](C)NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)C1 ZINC000808025773 1073936427 /nfs/dbraw/zinc/93/64/27/1073936427.db2.gz DYIREFNGBBGBAI-ULQDDVLXSA-N 0 3 437.541 -0.266 20 0 IBADHN COC(=O)N1CCC[C@H]([C@H](C)NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)C1 ZINC000808025774 1073936197 /nfs/dbraw/zinc/93/61/97/1073936197.db2.gz DYIREFNGBBGBAI-YESZJQIVSA-N 0 3 437.541 -0.266 20 0 IBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N[C@@H](C)[C@@H]2CCCN(C(=O)OC)C2)CC1 ZINC000808032878 1073937432 /nfs/dbraw/zinc/93/74/32/1073937432.db2.gz AQQJHKDZNSLCQW-DLBZAZTESA-N 0 3 439.557 -0.018 20 0 IBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N[C@H](C)[C@@H]2CCCN(C(=O)OC)C2)CC1 ZINC000808032879 1073937506 /nfs/dbraw/zinc/93/75/06/1073937506.db2.gz AQQJHKDZNSLCQW-IAGOWNOFSA-N 0 3 439.557 -0.018 20 0 IBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N[C@@H](C)[C@H]2CCCN(C(=O)OC)C2)CC1 ZINC000808032880 1073937466 /nfs/dbraw/zinc/93/74/66/1073937466.db2.gz AQQJHKDZNSLCQW-IRXDYDNUSA-N 0 3 439.557 -0.018 20 0 IBADHN CCN(CC)CC(=O)N1CCN(C(=O)C(=O)N[C@H](C)[C@H]2CCCN(C(=O)OC)C2)CC1 ZINC000808032881 1073937358 /nfs/dbraw/zinc/93/73/58/1073937358.db2.gz AQQJHKDZNSLCQW-SJORKVTESA-N 0 3 439.557 -0.018 20 0 IBADHN COC(=O)N1CCC[C@@H]([C@H](C)NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000808035287 1073934562 /nfs/dbraw/zinc/93/45/62/1073934562.db2.gz TZSRQRKSVGRLML-DLBZAZTESA-N 0 3 437.541 -0.264 20 0 IBADHN COC(=O)N1CCC[C@@H]([C@@H](C)NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000808035288 1073934474 /nfs/dbraw/zinc/93/44/74/1073934474.db2.gz TZSRQRKSVGRLML-IAGOWNOFSA-N 0 3 437.541 -0.264 20 0 IBADHN COC(=O)N1CCC[C@H]([C@H](C)NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000808035289 1073934582 /nfs/dbraw/zinc/93/45/82/1073934582.db2.gz TZSRQRKSVGRLML-IRXDYDNUSA-N 0 3 437.541 -0.264 20 0 IBADHN COC(=O)N1CCC[C@H]([C@@H](C)NC(=O)C(=O)N2CCN(C(=O)CN3CCCC3)CC2)C1 ZINC000808035290 1073934526 /nfs/dbraw/zinc/93/45/26/1073934526.db2.gz TZSRQRKSVGRLML-SJORKVTESA-N 0 3 437.541 -0.264 20 0 IBADHN COCCN(C)CCN1C[C@@H](NC(=O)c2cccc(S(=O)(=O)N(C)OC)c2)CC1=O ZINC000808268826 1073943122 /nfs/dbraw/zinc/94/31/22/1073943122.db2.gz APNHKTDPCBQVCR-INIZCTEOSA-N 0 3 442.538 -0.223 20 0 IBADHN COCCN(C)CCN1C[C@H](NC(=O)c2cccc(S(=O)(=O)N(C)OC)c2)CC1=O ZINC000808268827 1073943092 /nfs/dbraw/zinc/94/30/92/1073943092.db2.gz APNHKTDPCBQVCR-MRXNPFEDSA-N 0 3 442.538 -0.223 20 0 IBADHN COCCN(C)CCN1C[C@@H](NC(=O)C2=NN(c3ccccc3)C(=O)[C@@H](C)N2)CC1=O ZINC000808269025 1073942365 /nfs/dbraw/zinc/94/23/65/1073942365.db2.gz DVHXVSWXGMGCQO-CVEARBPZSA-N 0 3 430.509 -0.380 20 0 IBADHN COCCN(C)CCN1C[C@@H](NC(=O)C2=NN(c3ccccc3)C(=O)[C@H](C)N2)CC1=O ZINC000808269026 1073942254 /nfs/dbraw/zinc/94/22/54/1073942254.db2.gz DVHXVSWXGMGCQO-HOTGVXAUSA-N 0 3 430.509 -0.380 20 0 IBADHN COCCN(C)CCN1C[C@H](NC(=O)C2=NN(c3ccccc3)C(=O)[C@@H](C)N2)CC1=O ZINC000808269027 1073942354 /nfs/dbraw/zinc/94/23/54/1073942354.db2.gz DVHXVSWXGMGCQO-HZPDHXFCSA-N 0 3 430.509 -0.380 20 0 IBADHN COCCN(C)CCN1C[C@H](NC(=O)C2=NN(c3ccccc3)C(=O)[C@H](C)N2)CC1=O ZINC000808269028 1073942295 /nfs/dbraw/zinc/94/22/95/1073942295.db2.gz DVHXVSWXGMGCQO-JKSUJKDBSA-N 0 3 430.509 -0.380 20 0 IBADHN COCCN(C)CCN1C[C@H](NC(=O)[C@@H](O)[C@H](O)c2nc3ccccc3s2)CC1=O ZINC000808270392 1073943699 /nfs/dbraw/zinc/94/36/99/1073943699.db2.gz WEHWVECRXIGYQA-BVGQSLNGSA-N 0 3 436.534 -0.014 20 0 IBADHN COCCN(C)CCN1C[C@H](NC(=O)[C@H](O)[C@@H](O)c2nc3ccccc3s2)CC1=O ZINC000808270396 1073943261 /nfs/dbraw/zinc/94/32/61/1073943261.db2.gz WEHWVECRXIGYQA-FSPWUOQZSA-N 0 3 436.534 -0.014 20 0 IBADHN COCCN(C)CCN1C[C@H](NC(=O)[C@@H](O)[C@@H](O)c2nc3ccccc3s2)CC1=O ZINC000808270398 1073942831 /nfs/dbraw/zinc/94/28/31/1073942831.db2.gz WEHWVECRXIGYQA-JEBQAFNWSA-N 0 3 436.534 -0.014 20 0 IBADHN COCCN(C)CCN1C[C@H](NC(=O)[C@H](O)[C@H](O)c2nc3ccccc3s2)CC1=O ZINC000808270400 1073943719 /nfs/dbraw/zinc/94/37/19/1073943719.db2.gz WEHWVECRXIGYQA-XWIAVFTESA-N 0 3 436.534 -0.014 20 0 IBADHN COCCN(C)CCN1C[C@H](NC(=O)C2=NN(c3ccccc3)[C@@H](C(N)=O)C2)CC1=O ZINC000808270495 1073943677 /nfs/dbraw/zinc/94/36/77/1073943677.db2.gz XRNDAGFOTNEEPT-CRAIPNDOSA-N 0 3 430.509 -0.598 20 0 IBADHN COCCN(C)CCN1C[C@@H](NC(=O)C2=NN(c3ccccc3)[C@@H](C(N)=O)C2)CC1=O ZINC000808270497 1073943600 /nfs/dbraw/zinc/94/36/00/1073943600.db2.gz XRNDAGFOTNEEPT-MAUKXSAKSA-N 0 3 430.509 -0.598 20 0 IBADHN COCCN(C)CCN1C[C@H](NC(=O)C2=NN(c3ccccc3)[C@H](C(N)=O)C2)CC1=O ZINC000808270498 1073943741 /nfs/dbraw/zinc/94/37/41/1073943741.db2.gz XRNDAGFOTNEEPT-QAPCUYQASA-N 0 3 430.509 -0.598 20 0 IBADHN COCCN(C)CCN1C[C@@H](NC(=O)C2=NN(c3ccccc3)[C@H](C(N)=O)C2)CC1=O ZINC000808270501 1073943758 /nfs/dbraw/zinc/94/37/58/1073943758.db2.gz XRNDAGFOTNEEPT-YJBOKZPZSA-N 0 3 430.509 -0.598 20 0 IBADHN CNS(=O)(=O)c1cc(C(=O)N[C@H]2CC(=O)N(CCN(C)CCOC)C2)ccc1F ZINC000808270701 1073943019 /nfs/dbraw/zinc/94/30/19/1073943019.db2.gz YRSXQMQJVIJJIJ-AWEZNQCLSA-N 0 3 430.502 -0.357 20 0 IBADHN CNS(=O)(=O)c1cc(C(=O)N[C@@H]2CC(=O)N(CCN(C)CCOC)C2)ccc1F ZINC000808270703 1073942759 /nfs/dbraw/zinc/94/27/59/1073942759.db2.gz YRSXQMQJVIJJIJ-CQSZACIVSA-N 0 3 430.502 -0.357 20 0 IBADHN COCCN(C)CCN1C[C@H](NC(=O)C2=NN(c3ccc(F)cc3)[C@@H](C(N)=O)C2)CC1=O ZINC000808270863 1073943191 /nfs/dbraw/zinc/94/31/91/1073943191.db2.gz LTLGUKRCLKBDFS-CRAIPNDOSA-N 0 3 448.499 -0.459 20 0 IBADHN COCCN(C)CCN1C[C@@H](NC(=O)C2=NN(c3ccc(F)cc3)[C@@H](C(N)=O)C2)CC1=O ZINC000808270864 1073942787 /nfs/dbraw/zinc/94/27/87/1073942787.db2.gz LTLGUKRCLKBDFS-MAUKXSAKSA-N 0 3 448.499 -0.459 20 0 IBADHN COCCN(C)CCN1C[C@H](NC(=O)C2=NN(c3ccc(F)cc3)[C@H](C(N)=O)C2)CC1=O ZINC000808270865 1073943064 /nfs/dbraw/zinc/94/30/64/1073943064.db2.gz LTLGUKRCLKBDFS-QAPCUYQASA-N 0 3 448.499 -0.459 20 0 IBADHN COCCN(C)CCN1C[C@@H](NC(=O)C2=NN(c3ccc(F)cc3)[C@H](C(N)=O)C2)CC1=O ZINC000808270866 1073942928 /nfs/dbraw/zinc/94/29/28/1073942928.db2.gz LTLGUKRCLKBDFS-YJBOKZPZSA-N 0 3 448.499 -0.459 20 0 IBADHN COc1cc(OC)cc(N2CC[C@H](NC(=O)C(=O)NC[C@H]3CN4CCC[C@@H]4CO3)C2=O)c1 ZINC000808816124 1073949863 /nfs/dbraw/zinc/94/98/63/1073949863.db2.gz ZZAKXUBNHCAJTQ-CCKFTAQKSA-N 0 3 446.504 -0.095 20 0 IBADHN COc1cc(OC)cc(N2CC[C@H](NC(=O)C(=O)NC[C@H]3CN4CCC[C@H]4CO3)C2=O)c1 ZINC000808816127 1073949768 /nfs/dbraw/zinc/94/97/68/1073949768.db2.gz ZZAKXUBNHCAJTQ-JVPBZIDWSA-N 0 3 446.504 -0.095 20 0 IBADHN COc1cc(OC)cc(N2CC[C@H](NC(=O)C(=O)NC[C@@H]3CN4CCC[C@H]4CO3)C2=O)c1 ZINC000808816129 1073949713 /nfs/dbraw/zinc/94/97/13/1073949713.db2.gz ZZAKXUBNHCAJTQ-KYNGSXCRSA-N 0 3 446.504 -0.095 20 0 IBADHN COc1cc(OC)cc(N2CC[C@H](NC(=O)C(=O)NC[C@@H]3CN4CCC[C@@H]4CO3)C2=O)c1 ZINC000808816130 1073949798 /nfs/dbraw/zinc/94/97/98/1073949798.db2.gz ZZAKXUBNHCAJTQ-ZMYBRWDISA-N 0 3 446.504 -0.095 20 0 IBADHN CC(C)(C)N1CC[C@@](F)(C(=O)N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)C1 ZINC000810164143 1073971283 /nfs/dbraw/zinc/97/12/83/1073971283.db2.gz UHYQCBPBMDHOQS-PBHICJAKSA-N 0 3 439.575 -0.140 20 0 IBADHN CC(C)(C)N1CC[C@](F)(C(=O)N2CCN(S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)CC2)C1 ZINC000810164153 1073971319 /nfs/dbraw/zinc/97/13/19/1073971319.db2.gz UHYQCBPBMDHOQS-RHSMWYFYSA-N 0 3 439.575 -0.140 20 0 IBADHN CC(C)(C)N1CC[C@](F)(C(=O)N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)C1 ZINC000810164154 1073971229 /nfs/dbraw/zinc/97/12/29/1073971229.db2.gz UHYQCBPBMDHOQS-WMLDXEAASA-N 0 3 439.575 -0.140 20 0 IBADHN CC(C)(C)N1CC[C@@](F)(C(=O)N2CCN(S(=O)(=O)[C@H]3CCS(=O)(=O)C3)CC2)C1 ZINC000810164156 1073971305 /nfs/dbraw/zinc/97/13/05/1073971305.db2.gz UHYQCBPBMDHOQS-YOEHRIQHSA-N 0 3 439.575 -0.140 20 0 IBADHN CC(C)(C)N1CC[C@@](F)(C(=O)N2CCN(CC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)C1 ZINC000810418373 1073974160 /nfs/dbraw/zinc/97/41/60/1073974160.db2.gz YNBVGNPHMYTPRC-BEFAXECRSA-N 0 3 432.562 -0.354 20 0 IBADHN CC(C)(C)N1CC[C@](F)(C(=O)N2CCN(CC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)C1 ZINC000810418375 1073974216 /nfs/dbraw/zinc/97/42/16/1073974216.db2.gz YNBVGNPHMYTPRC-DNVCBOLYSA-N 0 3 432.562 -0.354 20 0 IBADHN CC(C)(C)N1CC[C@](F)(C(=O)N2CCN(CC(=O)N[C@H]3CCS(=O)(=O)C3)CC2)C1 ZINC000810418377 1073974229 /nfs/dbraw/zinc/97/42/29/1073974229.db2.gz YNBVGNPHMYTPRC-HNAYVOBHSA-N 0 3 432.562 -0.354 20 0 IBADHN CC(C)(C)N1CC[C@@](F)(C(=O)N2CCN(CC(=O)N[C@H]3CCS(=O)(=O)C3)CC2)C1 ZINC000810418379 1073974388 /nfs/dbraw/zinc/97/43/88/1073974388.db2.gz YNBVGNPHMYTPRC-KXBFYZLASA-N 0 3 432.562 -0.354 20 0 IBADHN CNS(=O)(=O)NC1CCN(CCC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000812839961 1074000061 /nfs/dbraw/zinc/00/00/61/1074000061.db2.gz NEKLFNDQDBWLAP-UHFFFAOYSA-N 0 3 433.575 -0.026 20 0 IBADHN COC(=O)c1cn(-c2cccc(NC(=O)C(=O)NC[C@H]3CN4CCC[C@@H]4CO3)c2)nn1 ZINC000812967013 1074001449 /nfs/dbraw/zinc/00/14/49/1074001449.db2.gz PZMBHGHBUHEYPB-CVEARBPZSA-N 0 3 428.449 -0.028 20 0 IBADHN COC(=O)c1cn(-c2cccc(NC(=O)C(=O)NC[C@H]3CN4CCC[C@H]4CO3)c2)nn1 ZINC000812967014 1074001405 /nfs/dbraw/zinc/00/14/05/1074001405.db2.gz PZMBHGHBUHEYPB-HOTGVXAUSA-N 0 3 428.449 -0.028 20 0 IBADHN COC(=O)c1cn(-c2cccc(NC(=O)C(=O)NC[C@@H]3CN4CCC[C@@H]4CO3)c2)nn1 ZINC000812967015 1074001431 /nfs/dbraw/zinc/00/14/31/1074001431.db2.gz PZMBHGHBUHEYPB-HZPDHXFCSA-N 0 3 428.449 -0.028 20 0 IBADHN COC(=O)c1cn(-c2cccc(NC(=O)C(=O)NC[C@@H]3CN4CCC[C@H]4CO3)c2)nn1 ZINC000812967016 1074001484 /nfs/dbraw/zinc/00/14/84/1074001484.db2.gz PZMBHGHBUHEYPB-JKSUJKDBSA-N 0 3 428.449 -0.028 20 0 IBADHN CN(CCOc1ccc(S(N)(=O)=O)cc1)CN1C(=O)NC2(CCN(C)CC2)C1=O ZINC000814231057 1074012829 /nfs/dbraw/zinc/01/28/29/1074012829.db2.gz JRULTSZYQNGRPS-UHFFFAOYSA-N 0 3 425.511 -0.382 20 0 IBADHN COCCN(CCN(C)C)C(=O)C(=O)Nc1ccc(N2CCN(C(=O)OC)CC2)nc1 ZINC000815472513 1074025297 /nfs/dbraw/zinc/02/52/97/1074025297.db2.gz BPPYLLCDOVQDCN-UHFFFAOYSA-N 0 3 436.513 -0.055 20 0 IBADHN COC(=O)N1CCN(c2ccc(NC(=O)C(=O)NC[C@@H]3CN4CCC[C@H]4CO3)cn2)CC1 ZINC000815506791 1074025708 /nfs/dbraw/zinc/02/57/08/1074025708.db2.gz JYEVRCAEELZFAJ-DLBZAZTESA-N 0 3 446.508 -0.112 20 0 IBADHN COC(=O)N1CCN(c2ccc(NC(=O)C(=O)NC[C@@H]3CN4CCC[C@@H]4CO3)cn2)CC1 ZINC000815506792 1074025761 /nfs/dbraw/zinc/02/57/61/1074025761.db2.gz JYEVRCAEELZFAJ-IAGOWNOFSA-N 0 3 446.508 -0.112 20 0 IBADHN COC(=O)N1CCN(c2ccc(NC(=O)C(=O)NC[C@H]3CN4CCC[C@H]4CO3)cn2)CC1 ZINC000815506793 1074025910 /nfs/dbraw/zinc/02/59/10/1074025910.db2.gz JYEVRCAEELZFAJ-IRXDYDNUSA-N 0 3 446.508 -0.112 20 0 IBADHN COC(=O)N1CCN(c2ccc(NC(=O)C(=O)NC[C@H]3CN4CCC[C@@H]4CO3)cn2)CC1 ZINC000815506794 1074025829 /nfs/dbraw/zinc/02/58/29/1074025829.db2.gz JYEVRCAEELZFAJ-SJORKVTESA-N 0 3 446.508 -0.112 20 0 IBADHN CN1C[C@H]2[C@@H](CCN2C(=O)C(=O)Nc2ccc(S(=O)(=O)CCS(C)(=O)=O)cc2)C1 ZINC000815705058 1074030174 /nfs/dbraw/zinc/03/01/74/1074030174.db2.gz XEQWDGNZEFXGSN-BBRMVZONSA-N 0 3 443.547 -0.394 20 0 IBADHN CN1C[C@H]2CCN(C(=O)C(=O)Nc3ccc(S(=O)(=O)CCS(C)(=O)=O)cc3)[C@H]2C1 ZINC000815705059 1074030363 /nfs/dbraw/zinc/03/03/63/1074030363.db2.gz XEQWDGNZEFXGSN-CJNGLKHVSA-N 0 3 443.547 -0.394 20 0 IBADHN CN1C[C@H]2CCN(C(=O)C(=O)Nc3ccc(S(=O)(=O)CCS(C)(=O)=O)cc3)[C@@H]2C1 ZINC000815705060 1074030209 /nfs/dbraw/zinc/03/02/09/1074030209.db2.gz XEQWDGNZEFXGSN-CZUORRHYSA-N 0 3 443.547 -0.394 20 0 IBADHN CN1C[C@@H]2CCN(C(=O)C(=O)Nc3ccc(S(=O)(=O)CCS(C)(=O)=O)cc3)[C@@H]2C1 ZINC000815705061 1074030250 /nfs/dbraw/zinc/03/02/50/1074030250.db2.gz XEQWDGNZEFXGSN-XJKSGUPXSA-N 0 3 443.547 -0.394 20 0 IBADHN COCCN(C)CCN1C[C@@H](NC(=O)c2ccc(S(=O)(=O)N(C)OC)cc2)CC1=O ZINC000816639999 1074038531 /nfs/dbraw/zinc/03/85/31/1074038531.db2.gz OXPMFYCWRJODDN-INIZCTEOSA-N 0 3 442.538 -0.223 20 0 IBADHN COCCN(C)CCN1C[C@H](NC(=O)c2ccc(S(=O)(=O)N(C)OC)cc2)CC1=O ZINC000816640000 1074038611 /nfs/dbraw/zinc/03/86/11/1074038611.db2.gz OXPMFYCWRJODDN-MRXNPFEDSA-N 0 3 442.538 -0.223 20 0 IBADHN COCCN(C)CCN1C[C@@H](NC(=O)CN2C(=O)N[C@](C)(c3ccccc3)C2=O)CC1=O ZINC000819887036 1074049398 /nfs/dbraw/zinc/04/93/98/1074049398.db2.gz KROJFYMGOFAKIJ-HTAPYJJXSA-N 0 3 445.520 -0.251 20 0 IBADHN COCCN(C)CCN1C[C@@H](NC(=O)CN2C(=O)N[C@@](C)(c3ccccc3)C2=O)CC1=O ZINC000819887042 1074049482 /nfs/dbraw/zinc/04/94/82/1074049482.db2.gz KROJFYMGOFAKIJ-JTSKRJEESA-N 0 3 445.520 -0.251 20 0 IBADHN COCCN(C)CCN1C[C@H](NC(=O)CN2C(=O)N[C@](C)(c3ccccc3)C2=O)CC1=O ZINC000819887045 1074049517 /nfs/dbraw/zinc/04/95/17/1074049517.db2.gz KROJFYMGOFAKIJ-VGOFRKELSA-N 0 3 445.520 -0.251 20 0 IBADHN COCCN(C)CCN1C[C@H](NC(=O)CN2C(=O)N[C@@](C)(c3ccccc3)C2=O)CC1=O ZINC000819887047 1074049457 /nfs/dbraw/zinc/04/94/57/1074049457.db2.gz KROJFYMGOFAKIJ-VGSWGCGISA-N 0 3 445.520 -0.251 20 0 IBADHN CN1CCC2(CC1)NC(=O)N(CN1CCN(CC(=O)NCc3ccccc3)CC1)C2=O ZINC000836472158 1073074658 /nfs/dbraw/zinc/07/46/58/1073074658.db2.gz MGKBBYOSQMUYAS-UHFFFAOYSA-N 0 3 428.537 -0.106 20 0 IBADHN Cn1cc([C@@H]2CN(C)CC[C@H]2C(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)cn1 ZINC000849500095 1074364626 /nfs/dbraw/zinc/36/46/26/1074364626.db2.gz YKZQZDGRHIGDHO-MSOLQXFVSA-N 0 3 440.570 -0.823 20 0 IBADHN Cn1cc([C@H]2CN(C)CC[C@H]2C(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)cn1 ZINC000849500103 1074364730 /nfs/dbraw/zinc/36/47/30/1074364730.db2.gz YKZQZDGRHIGDHO-QZTJIDSGSA-N 0 3 440.570 -0.823 20 0 IBADHN Cn1cc([C@@H]2CN(C)CC[C@@H]2C(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)cn1 ZINC000849500106 1074364840 /nfs/dbraw/zinc/36/48/40/1074364840.db2.gz YKZQZDGRHIGDHO-ROUUACIJSA-N 0 3 440.570 -0.823 20 0 IBADHN Cn1cc([C@H]2CN(C)CC[C@@H]2C(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)cn1 ZINC000849500109 1074364516 /nfs/dbraw/zinc/36/45/16/1074364516.db2.gz YKZQZDGRHIGDHO-ZWKOTPCHSA-N 0 3 440.570 -0.823 20 0 IBADHN COCCCS(=O)(=O)N1CCN(C(=O)[C@@H]2CCN(C)C[C@H]2c2cnn(C)c2)CC1 ZINC000849563665 1074365174 /nfs/dbraw/zinc/36/51/74/1074365174.db2.gz LYAHTDGPSMCKNV-MSOLQXFVSA-N 0 3 427.571 -0.034 20 0 IBADHN COCCCS(=O)(=O)N1CCN(C(=O)[C@@H]2CCN(C)C[C@@H]2c2cnn(C)c2)CC1 ZINC000849563667 1074364992 /nfs/dbraw/zinc/36/49/92/1074364992.db2.gz LYAHTDGPSMCKNV-QZTJIDSGSA-N 0 3 427.571 -0.034 20 0 IBADHN COCCCS(=O)(=O)N1CCN(C(=O)[C@H]2CCN(C)C[C@H]2c2cnn(C)c2)CC1 ZINC000849563669 1074365024 /nfs/dbraw/zinc/36/50/24/1074365024.db2.gz LYAHTDGPSMCKNV-ROUUACIJSA-N 0 3 427.571 -0.034 20 0 IBADHN COCCCS(=O)(=O)N1CCN(C(=O)[C@H]2CCN(C)C[C@@H]2c2cnn(C)c2)CC1 ZINC000849563671 1074365342 /nfs/dbraw/zinc/36/53/42/1074365342.db2.gz LYAHTDGPSMCKNV-ZWKOTPCHSA-N 0 3 427.571 -0.034 20 0 IBADHN CCc1noc(C[C@@]2(O)CCCN(CCCn3c(=O)c4c(ncn4C)n(C)c3=O)C2)n1 ZINC000856674648 1074437642 /nfs/dbraw/zinc/43/76/42/1074437642.db2.gz UOYHYDLBYHKPHM-FQEVSTJZSA-N 0 3 431.497 -0.161 20 0 IBADHN CCc1noc(C[C@]2(O)CCCN(CCCn3c(=O)c4c(ncn4C)n(C)c3=O)C2)n1 ZINC000856674649 1074438322 /nfs/dbraw/zinc/43/83/22/1074438322.db2.gz UOYHYDLBYHKPHM-HXUWFJFHSA-N 0 3 431.497 -0.161 20 0 IBADHN CCN1CCN(c2ccc(NC(=O)COC(=O)Cn3ccc(=O)n(C)c3=O)cc2)CC1 ZINC000915236508 1072687045 /nfs/dbraw/zinc/68/70/45/1072687045.db2.gz RFWMUFFXZVVOBW-UHFFFAOYSA-N 0 3 429.477 -0.129 20 0 IBADHN CN1CCN(CCCNC(=O)C(=O)Nc2ccc(N3CCNC(=O)C3)c(Cl)c2)CC1 ZINC000915740221 1072713505 /nfs/dbraw/zinc/71/35/05/1072713505.db2.gz MASPLUCVHBAUHW-UHFFFAOYSA-N 0 3 436.944 -0.032 20 0 IBADHN CCN1CCN(CCNC(=O)C(=O)Nc2ccc(S(=O)(=O)N(C)OC)cc2)CC1 ZINC000915763708 1072714120 /nfs/dbraw/zinc/71/41/20/1072714120.db2.gz GTOWKCPBPIGNSW-UHFFFAOYSA-N 0 3 427.527 -0.439 20 0 IBADHN CCN1CCN(CCCNC(=O)C(=O)Nc2ccc(S(=O)(=O)N(C)OC)cc2)CC1 ZINC000915764482 1072714286 /nfs/dbraw/zinc/71/42/86/1072714286.db2.gz PKHGROINXOVCCZ-UHFFFAOYSA-N 0 3 441.554 -0.049 20 0 IBADHN CCN1CCN([C@@H](C)CNC(=O)C(=O)Nc2ccc(S(=O)(=O)N(C)OC)cc2)CC1 ZINC000915765950 1072714139 /nfs/dbraw/zinc/71/41/39/1072714139.db2.gz YZXXUUXJJVNKKZ-HNNXBMFYSA-N 0 3 441.554 -0.051 20 0 IBADHN CN(C)S(=O)(=O)c1ccc2c(c1)CCN2C(=O)C(=O)NCCCN1CCN(C)CC1 ZINC000916705569 1072747616 /nfs/dbraw/zinc/74/76/16/1072747616.db2.gz ONZYJWCZKZKANS-UHFFFAOYSA-N 0 3 437.566 -0.420 20 0 IBADHN CN1CCC2(CC1)NC(=O)N(CN1CCN(c3ccc(S(N)(=O)=O)cc3)CC1)C2=O ZINC000917450845 1072776594 /nfs/dbraw/zinc/77/65/94/1072776594.db2.gz ZCTQUZPRGNOBIZ-UHFFFAOYSA-N 0 3 436.538 -0.570 20 0 IBADHN CN1CCC2(CC1)NC(=O)N(CN1CCN(C3=NS(=O)(=O)c4ccccc43)CC1)C2=O ZINC000917471595 1072778196 /nfs/dbraw/zinc/77/81/96/1072778196.db2.gz IPYDDORFYJVCSM-UHFFFAOYSA-N 0 3 446.533 -0.273 20 0 IBADHN CN1CCN(c2ccncc2NC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)CC1 ZINC000919861186 1072925269 /nfs/dbraw/zinc/92/52/69/1072925269.db2.gz QFDZVUPJZNRASZ-AWEZNQCLSA-N 0 3 434.522 -0.063 20 0 IBADHN CN1CCN(c2ccncc2NC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)CC1 ZINC000919861189 1072925099 /nfs/dbraw/zinc/92/50/99/1072925099.db2.gz QFDZVUPJZNRASZ-CQSZACIVSA-N 0 3 434.522 -0.063 20 0 IBADHN O=C(NCCO)C1CCN(CCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 ZINC000920210381 1072939682 /nfs/dbraw/zinc/93/96/82/1072939682.db2.gz QQOPLUNVMPEPQP-UHFFFAOYSA-N 0 3 441.550 -0.093 20 0 IBADHN CN1CCN(CCCCNC(=O)N2CCN(S(=O)(=O)Cc3ccon3)CC2)CC1 ZINC001116165002 1073033830 /nfs/dbraw/zinc/03/38/30/1073033830.db2.gz RALUWWSTFNLWSP-UHFFFAOYSA-N 0 3 428.559 -0.141 20 0 IBADHN COCCNS(=O)(=O)c1c[n-]c(C(=O)N2CCC([N@H+]3CCC[C@H]3C(N)=O)CC2)c1 ZINC001116285681 1073036155 /nfs/dbraw/zinc/03/61/55/1073036155.db2.gz FXQLDCQBRORHFL-INIZCTEOSA-N 0 3 427.527 -0.506 20 0 IBADHN COCCNS(=O)(=O)c1c[n-]c(C(=O)N2CCC([N@@H+]3CCC[C@H]3C(N)=O)CC2)c1 ZINC001116285681 1073036148 /nfs/dbraw/zinc/03/61/48/1073036148.db2.gz FXQLDCQBRORHFL-INIZCTEOSA-N 0 3 427.527 -0.506 20 0 IBADHN COCCNS(=O)(=O)c1c[nH]c(C(=O)N2CCC(N3CCC[C@H]3C(N)=O)CC2)c1 ZINC001116285681 1073036135 /nfs/dbraw/zinc/03/61/35/1073036135.db2.gz FXQLDCQBRORHFL-INIZCTEOSA-N 0 3 427.527 -0.506 20 0 IBADHN COCCNS(=O)(=O)c1c[n-]c(C(=O)N2CCC([N@H+]3CCC[C@@H]3C(N)=O)CC2)c1 ZINC001116285682 1073036241 /nfs/dbraw/zinc/03/62/41/1073036241.db2.gz FXQLDCQBRORHFL-MRXNPFEDSA-N 0 3 427.527 -0.506 20 0 IBADHN COCCNS(=O)(=O)c1c[n-]c(C(=O)N2CCC([N@@H+]3CCC[C@@H]3C(N)=O)CC2)c1 ZINC001116285682 1073036236 /nfs/dbraw/zinc/03/62/36/1073036236.db2.gz FXQLDCQBRORHFL-MRXNPFEDSA-N 0 3 427.527 -0.506 20 0 IBADHN COCCNS(=O)(=O)c1c[nH]c(C(=O)N2CCC(N3CCC[C@@H]3C(N)=O)CC2)c1 ZINC001116285682 1073036226 /nfs/dbraw/zinc/03/62/26/1073036226.db2.gz FXQLDCQBRORHFL-MRXNPFEDSA-N 0 3 427.527 -0.506 20 0 IBADHN O=C(CNC1(CO)CCOCC1)NCc1ccccc1S(=O)(=O)N1CCOCC1 ZINC001116325575 1073037018 /nfs/dbraw/zinc/03/70/18/1073037018.db2.gz HMNXRQCUAVBEAM-UHFFFAOYSA-N 0 3 427.523 -0.545 20 0 IBADHN Cc1nn(-c2cncc3nnnn32)c(C)c1CC(=O)N(C)CCCN1CCN(C)CC1 ZINC001116349361 1073038908 /nfs/dbraw/zinc/03/89/08/1073038908.db2.gz DHRGTHBQTOFNON-UHFFFAOYSA-N 0 3 426.529 -0.040 20 0 IBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)CC1 ZINC001116476835 1073041574 /nfs/dbraw/zinc/04/15/74/1073041574.db2.gz WIPQHAABYCZOCY-FCEWJHQRSA-N 0 3 428.555 -0.329 20 0 IBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)CC1 ZINC001116476936 1073041909 /nfs/dbraw/zinc/04/19/09/1073041909.db2.gz WIPQHAABYCZOCY-FRQCXROJSA-N 0 3 428.555 -0.329 20 0 IBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)CC1 ZINC001116476937 1073041786 /nfs/dbraw/zinc/04/17/86/1073041786.db2.gz WIPQHAABYCZOCY-GPMSIDNRSA-N 0 3 428.555 -0.329 20 0 IBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)CC1 ZINC001116476938 1073041813 /nfs/dbraw/zinc/04/18/13/1073041813.db2.gz WIPQHAABYCZOCY-MDZRGWNJSA-N 0 3 428.555 -0.329 20 0 IBADHN CN(CCCN1CCN(C)CC1)C(=O)NC1CCN(S(=O)(=O)c2cnn(C)c2)CC1 ZINC001116508080 1073042965 /nfs/dbraw/zinc/04/29/65/1073042965.db2.gz ZGSDMGUWJHDFKL-UHFFFAOYSA-N 0 3 441.602 -0.148 20 0 IBADHN COC(=O)CC1(NCCC(=O)N2CCN(c3ncccn3)CC2)CCS(=O)(=O)CC1 ZINC001116709789 1073046549 /nfs/dbraw/zinc/04/65/49/1073046549.db2.gz SCLVCPKDACZQAN-UHFFFAOYSA-N 0 3 439.538 -0.385 20 0 IBADHN CN1CCN(Cc2cccc(CNC(=O)N3CCN(CCS(N)(=O)=O)CC3)c2)CC1 ZINC001116914004 1073051192 /nfs/dbraw/zinc/05/11/92/1073051192.db2.gz KWMMHGVGMIDIAF-UHFFFAOYSA-N 0 3 438.598 -0.450 20 0 IBADHN Cn1nc(C(=O)NCCN(CCN2CCCCC2)C(=O)c2ccc(=O)n(C)n2)ccc1=O ZINC001117460049 1073055149 /nfs/dbraw/zinc/05/51/49/1073055149.db2.gz MNGXUXIFBQTXRU-UHFFFAOYSA-N 0 3 443.508 -0.768 20 0 IBADHN O=C(CSCC(=O)N1CC[C@H](N2CC[C@H](O)C2)C1)N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC001117737362 1073057495 /nfs/dbraw/zinc/05/74/95/1073057495.db2.gz LPJSFTVNVNYYSL-XSLAGTTESA-N 0 3 426.583 -0.945 20 0 IBADHN CN1CCN(CC2CN(C(=O)[C@H]3CC(=O)N(c4cccc(S(N)(=O)=O)c4)C3)C2)CC1 ZINC001117775702 1073057993 /nfs/dbraw/zinc/05/79/93/1073057993.db2.gz XEHAUAVEVBQQEW-INIZCTEOSA-N 0 3 435.550 -0.607 20 0 IBADHN CN1CCN(CC2CN(C(=O)[C@@H]3CC(=O)N(c4cccc(S(N)(=O)=O)c4)C3)C2)CC1 ZINC001117775703 1073057910 /nfs/dbraw/zinc/05/79/10/1073057910.db2.gz XEHAUAVEVBQQEW-MRXNPFEDSA-N 0 3 435.550 -0.607 20 0 IBADHN COc1ccc([C@]2(C)NC(=O)N(CC(=O)N3CCN(CCN(C)C)C(=O)C3)C2=O)cc1 ZINC001130497532 1073887323 /nfs/dbraw/zinc/88/73/23/1073887323.db2.gz UHYBNDZVTDHZAD-NRFANRHFSA-N 0 3 431.493 -0.305 20 0 IBADHN COc1ccc([C@@]2(C)NC(=O)N(CC(=O)N3CCN(CCN(C)C)C(=O)C3)C2=O)cc1 ZINC001130497533 1073887189 /nfs/dbraw/zinc/88/71/89/1073887189.db2.gz UHYBNDZVTDHZAD-OAQYLSRUSA-N 0 3 431.493 -0.305 20 0 IBADHN C[C@@H](C(=O)N1CCN(CCN(C)C)C(=O)C1)N1CCN(C(=O)OC(C)(C)C)CC1=O ZINC001130707483 1073897291 /nfs/dbraw/zinc/89/72/91/1073897291.db2.gz WENPROWJOBHXJW-HNNXBMFYSA-N 0 3 425.530 -0.313 20 0 IBADHN C[C@H](C(=O)N1CCN(CCN(C)C)C(=O)C1)N1CCN(C(=O)OC(C)(C)C)CC1=O ZINC001130707484 1073897346 /nfs/dbraw/zinc/89/73/46/1073897346.db2.gz WENPROWJOBHXJW-OAHLLOKOSA-N 0 3 425.530 -0.313 20 0 IBADHN CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N(CCN(C)C)CC(=O)N(C)C)cc1 ZINC001130807382 1073907612 /nfs/dbraw/zinc/90/76/12/1073907612.db2.gz UNQKAAABPDEHQB-UHFFFAOYSA-N 0 3 441.554 -0.256 20 0 IBADHN Cc1nc(S(=O)(=O)N2CCC(C(=O)N(CCN(C)C)CC(=O)N(C)C)CC2)cn1C ZINC001131009547 1073921198 /nfs/dbraw/zinc/92/11/98/1073921198.db2.gz RJRPBRQNICPLAN-UHFFFAOYSA-N 0 3 442.586 -0.392 20 0 IBADHN Cc1c(C(=O)NC2CN(S(=O)(=O)N(C)C)C2)nnn1-c1cccc2c1CCN(C)C2 ZINC001131994017 1073968314 /nfs/dbraw/zinc/96/83/14/1073968314.db2.gz STAZQBPHALXYJV-UHFFFAOYSA-N 0 3 433.538 -0.216 20 0 IBADHN CCN1CCN(Cc2ccccc2CNC(=O)CCn2cc(C(N)=O)c(=O)[nH]c2=O)CC1 ZINC001136214074 1074047157 /nfs/dbraw/zinc/04/71/57/1074047157.db2.gz NEVXAOPVUOZFSW-UHFFFAOYSA-N 0 3 442.520 -0.108 20 0 IBADHN COCCN1CCC(NC(=O)CNS(=O)(=O)c2cccc(S(C)(=O)=O)c2)CC1 ZINC001136411276 1074053874 /nfs/dbraw/zinc/05/38/74/1074053874.db2.gz HIMRUDGRBFBBGU-UHFFFAOYSA-N 0 3 433.552 -0.405 20 0 IBADHN CN(C)CCn1c2cc(C(=O)NCCS(=O)(=O)N3CCOCC3)ccc2[nH]c1=O ZINC001136476590 1074055389 /nfs/dbraw/zinc/05/53/89/1074055389.db2.gz AWFYTVSSXWEQQK-UHFFFAOYSA-N 0 3 425.511 -0.305 20 0 IBADHN CCN1CCN([C@H](C)CNC(=O)c2cc(S(=O)(=O)NCC(N)=O)ccc2Cl)CC1 ZINC001136659369 1074059374 /nfs/dbraw/zinc/05/93/74/1074059374.db2.gz BLGQYWGNKWDRON-CYBMUJFWSA-N 0 3 445.973 -0.141 20 0 IBADHN CCN1CCN([C@@H](C)CNC(=O)c2cc(S(=O)(=O)NCC(N)=O)ccc2Cl)CC1 ZINC001136659370 1074059160 /nfs/dbraw/zinc/05/91/60/1074059160.db2.gz BLGQYWGNKWDRON-ZDUSSCGKSA-N 0 3 445.973 -0.141 20 0 IBADHN CCN1CCN(CCNC(=O)c2cc(S(=O)(=O)NCC(N)=O)ccc2Cl)CC1 ZINC001136660633 1074060341 /nfs/dbraw/zinc/06/03/41/1074060341.db2.gz XFONXEPXUXIZNS-UHFFFAOYSA-N 0 3 431.946 -0.529 20 0 IBADHN CN(CCCN1CCN(C)CC1)C(=O)CNS(=O)(=O)c1cccc(S(C)(=O)=O)c1 ZINC001136817474 1074062817 /nfs/dbraw/zinc/06/28/17/1074062817.db2.gz QQPICXDHYKAEBE-UHFFFAOYSA-N 0 3 446.595 -0.536 20 0 IBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@H](CC(N)=O)NC(=O)c2ccccc2F)CC1 ZINC001137720644 1073064930 /nfs/dbraw/zinc/06/49/30/1073064930.db2.gz QBFLHQVJDSBNPA-DLBZAZTESA-N 0 3 433.484 -0.436 20 0 IBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@@H](CC(N)=O)NC(=O)c2ccccc2F)CC1 ZINC001137720645 1073064994 /nfs/dbraw/zinc/06/49/94/1073064994.db2.gz QBFLHQVJDSBNPA-IAGOWNOFSA-N 0 3 433.484 -0.436 20 0 IBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)[C@H](CC(N)=O)NC(=O)c2ccccc2F)CC1 ZINC001137720646 1073064855 /nfs/dbraw/zinc/06/48/55/1073064855.db2.gz QBFLHQVJDSBNPA-IRXDYDNUSA-N 0 3 433.484 -0.436 20 0 IBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H](CC(N)=O)NC(=O)c2ccccc2F)CC1 ZINC001137720647 1073065088 /nfs/dbraw/zinc/06/50/88/1073065088.db2.gz QBFLHQVJDSBNPA-SJORKVTESA-N 0 3 433.484 -0.436 20 0 IBADHN CS[C@H]1CN(C(=O)CNS(=O)(=O)c2cccc(S(C)(=O)=O)c2)C[C@H]1N(C)C ZINC001137945080 1073065876 /nfs/dbraw/zinc/06/58/76/1073065876.db2.gz KZFSOTDMILCRNE-CABCVRRESA-N 0 3 435.593 -0.128 20 0 IBADHN CS[C@H]1CN(C(=O)CNS(=O)(=O)c2cccc(S(C)(=O)=O)c2)C[C@@H]1N(C)C ZINC001137945081 1073065821 /nfs/dbraw/zinc/06/58/21/1073065821.db2.gz KZFSOTDMILCRNE-GJZGRUSLSA-N 0 3 435.593 -0.128 20 0 IBADHN CS[C@@H]1CN(C(=O)CNS(=O)(=O)c2cccc(S(C)(=O)=O)c2)C[C@H]1N(C)C ZINC001137945082 1073065744 /nfs/dbraw/zinc/06/57/44/1073065744.db2.gz KZFSOTDMILCRNE-HUUCEWRRSA-N 0 3 435.593 -0.128 20 0 IBADHN CS[C@@H]1CN(C(=O)CNS(=O)(=O)c2cccc(S(C)(=O)=O)c2)C[C@@H]1N(C)C ZINC001137945083 1073065758 /nfs/dbraw/zinc/06/57/58/1073065758.db2.gz KZFSOTDMILCRNE-LSDHHAIUSA-N 0 3 435.593 -0.128 20 0 IBADHN C[C@H](CCN1CCN(C)CC1)NC(=O)c1cc(S(=O)(=O)NCC(N)=O)ccc1Cl ZINC001138451330 1073068092 /nfs/dbraw/zinc/06/80/92/1073068092.db2.gz CFAOGLLYPOCSSN-CYBMUJFWSA-N 0 3 445.973 -0.141 20 0 IBADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)c1cc(S(=O)(=O)NCC(N)=O)ccc1Cl ZINC001138451331 1073067697 /nfs/dbraw/zinc/06/76/97/1073067697.db2.gz CFAOGLLYPOCSSN-ZDUSSCGKSA-N 0 3 445.973 -0.141 20 0 IBADHN Cc1[nH]c(=O)[nH]c(=O)c1CN1CCC2(CN(S(C)(=O)=O)C[C@]23CCN(C)C3=O)CC1 ZINC001138465599 1073067993 /nfs/dbraw/zinc/06/79/93/1073067993.db2.gz QCIBKUGWTRXBSV-IBGZPJMESA-N 0 3 439.538 -0.098 20 0 IBADHN Cc1[nH]c(=O)[nH]c(=O)c1CN1CCC2(CN(S(C)(=O)=O)C[C@@]23CCN(C)C3=O)CC1 ZINC001138465600 1073068062 /nfs/dbraw/zinc/06/80/62/1073068062.db2.gz QCIBKUGWTRXBSV-LJQANCHMSA-N 0 3 439.538 -0.098 20 0 IBADHN CN(C)C(=O)CN1C[C@H]2CCN(Cc3ccc(OCC(N)=O)cc3)CC[C@H]2S1(=O)=O ZINC001138871848 1073069058 /nfs/dbraw/zinc/06/90/58/1073069058.db2.gz RDABSWJZDXPRFP-SJLPKXTDSA-N 0 3 438.550 -0.135 20 0 IBADHN CN1CC[C@@]2(CN(S(C)(=O)=O)CC23CCN(CC2C(=O)N=CNC2=O)CC3)C1=O ZINC001140470197 1073073036 /nfs/dbraw/zinc/07/30/36/1073073036.db2.gz CJNAAUKGBOUEHQ-GOSISDBHSA-N 0 3 425.511 -0.406 20 0 IBADHN CN1CC[C@]2(CN(S(C)(=O)=O)CC23CCN(CC2C(=O)N=CNC2=O)CC3)C1=O ZINC001140470198 1073072886 /nfs/dbraw/zinc/07/28/86/1073072886.db2.gz CJNAAUKGBOUEHQ-SFHVURJKSA-N 0 3 425.511 -0.406 20 0 IBADHN CNS(=O)(=O)N1CCN(C(=O)c2nnn(-c3cccc4c3CCN(C)C4)c2C)CC1 ZINC001140608509 1073073759 /nfs/dbraw/zinc/07/37/59/1073073759.db2.gz ZKPJYDYZFYNDMC-UHFFFAOYSA-N 0 3 433.538 -0.214 20 0 IBADHN Cc1ncc(CO)c(C[N@@H+]2CC[C@@H]3CN(CC(=O)N(C)C)S(=O)(=O)[C@@H]3CC2)c1[O-] ZINC001140867873 1073074292 /nfs/dbraw/zinc/07/42/92/1073074292.db2.gz UKYCHCYGINXXRP-RHSMWYFYSA-N 0 3 426.539 -0.098 20 0 IBADHN Cc1ncc(CO)c(C[N@H+]2CC[C@@H]3CN(CC(=O)N(C)C)S(=O)(=O)[C@@H]3CC2)c1[O-] ZINC001140867873 1073074285 /nfs/dbraw/zinc/07/42/85/1073074285.db2.gz UKYCHCYGINXXRP-RHSMWYFYSA-N 0 3 426.539 -0.098 20 0 IBADHN CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)N[C@H]2CCCN(CCCO)C2)c1 ZINC001141029853 1073074809 /nfs/dbraw/zinc/07/48/09/1073074809.db2.gz FVOUBSUSPVWHGB-INIZCTEOSA-N 0 3 426.539 -0.370 20 0 IBADHN CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)N[C@@H]2CCCN(CCCO)C2)c1 ZINC001141029854 1073074839 /nfs/dbraw/zinc/07/48/39/1073074839.db2.gz FVOUBSUSPVWHGB-MRXNPFEDSA-N 0 3 426.539 -0.370 20 0 IBADHN CN1CCN(CC2CN(C(=O)CNS(=O)(=O)c3ccc4c(c3)OCCCO4)C2)CC1 ZINC001141387225 1073076740 /nfs/dbraw/zinc/07/67/40/1073076740.db2.gz IWYQAZBRYNKUBQ-UHFFFAOYSA-N 0 3 438.550 -0.168 20 0 IBADHN CCN1CCN(CCCNC(=O)CNS(=O)(=O)c2cccc(S(C)(=O)=O)c2)CC1 ZINC001141613631 1073079278 /nfs/dbraw/zinc/07/92/78/1073079278.db2.gz YQONTQBZGIUDEY-UHFFFAOYSA-N 0 3 446.595 -0.488 20 0 IBADHN COCCN(C)CCN1C[C@@H](NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)CC1=O ZINC001141739251 1073080316 /nfs/dbraw/zinc/08/03/16/1073080316.db2.gz HYNBTHPQHZUWCV-AWEZNQCLSA-N 0 3 438.506 -0.874 20 0 IBADHN COCCN(C)CCN1C[C@H](NC(=O)CN2C(=O)c3ccccc3S2(=O)=O)CC1=O ZINC001141739252 1073080145 /nfs/dbraw/zinc/08/01/45/1073080145.db2.gz HYNBTHPQHZUWCV-CQSZACIVSA-N 0 3 438.506 -0.874 20 0 IBADHN COCCN(C)CCN1C[C@H](NC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)CC1=O ZINC001141739690 1073080020 /nfs/dbraw/zinc/08/00/20/1073080020.db2.gz NANRSOLAFAKHMT-CYBMUJFWSA-N 0 3 432.930 -0.104 20 0 IBADHN COCCN(C)CCN1C[C@@H](NC(=O)c2ccc(Cl)c(S(N)(=O)=O)c2)CC1=O ZINC001141739691 1073079963 /nfs/dbraw/zinc/07/99/63/1073079963.db2.gz NANRSOLAFAKHMT-ZDUSSCGKSA-N 0 3 432.930 -0.104 20 0 IBADHN COCCN(C)CCN1C[C@H](NC(=O)C[C@H]2CS(=O)(=O)c3ccccc3O2)CC1=O ZINC001141739930 1073080360 /nfs/dbraw/zinc/08/03/60/1073080360.db2.gz QMKKEAFGHWEXCO-CVEARBPZSA-N 0 3 439.534 -0.093 20 0 IBADHN COCCN(C)CCN1C[C@@H](NC(=O)C[C@H]2CS(=O)(=O)c3ccccc3O2)CC1=O ZINC001141739931 1073080263 /nfs/dbraw/zinc/08/02/63/1073080263.db2.gz QMKKEAFGHWEXCO-HOTGVXAUSA-N 0 3 439.534 -0.093 20 0 IBADHN COCCN(C)CCN1C[C@H](NC(=O)C[C@@H]2CS(=O)(=O)c3ccccc3O2)CC1=O ZINC001141739932 1073080213 /nfs/dbraw/zinc/08/02/13/1073080213.db2.gz QMKKEAFGHWEXCO-HZPDHXFCSA-N 0 3 439.534 -0.093 20 0 IBADHN COCCN(C)CCN1C[C@@H](NC(=O)C[C@@H]2CS(=O)(=O)c3ccccc3O2)CC1=O ZINC001141739933 1073080180 /nfs/dbraw/zinc/08/01/80/1073080180.db2.gz QMKKEAFGHWEXCO-JKSUJKDBSA-N 0 3 439.534 -0.093 20 0 IBADHN Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c2n1C(=O)Cc1ccc(Cl)s1 ZINC001142246082 1073085192 /nfs/dbraw/zinc/08/51/92/1073085192.db2.gz WCFSHDJSNIVCAY-DHNQBYQLSA-N 0 3 440.869 -0.649 20 0 IBADHN Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2NC(=O)C2CCN(Cc3ccncc3)CC2)c(=O)n1 ZINC001142348408 1073085791 /nfs/dbraw/zinc/08/57/91/1073085791.db2.gz UPWGVYSUUGVVCU-DLVXIWMQSA-N 0 3 444.492 -0.889 20 0 IBADHN CC(C)N(C)Cc1n[nH]c2c1CCN(C(=O)Cn1cnc3c1c(=O)n(C)c(=O)n3C)C2 ZINC001142384368 1073086169 /nfs/dbraw/zinc/08/61/69/1073086169.db2.gz BKDUNZXDQMPIJD-UHFFFAOYSA-N 0 3 428.497 -0.418 20 0 IBADHN Cn1c2ncn(CC(=O)N(C(=N)N)c3ccc(N4CCOCC4)cc3)c2c(=O)n(C)c1=O ZINC001142391437 1073089105 /nfs/dbraw/zinc/08/91/05/1073089105.db2.gz NYGSVYKPFZYYAQ-UHFFFAOYSA-N 0 3 440.464 -0.803 20 0 IBADHN Cn1c2ncn(CC(=O)NCC(=O)N3CCN(C4CCCCC4)CC3)c2c(=O)n(C)c1=O ZINC001142392565 1073089274 /nfs/dbraw/zinc/08/92/74/1073089274.db2.gz YZMVNXUICKJZQW-UHFFFAOYSA-N 0 3 445.524 -0.973 20 0 IBADHN Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c2n1C(=O)CCCc1ccccc1 ZINC001142892061 1073092375 /nfs/dbraw/zinc/09/23/75/1073092375.db2.gz XUVTYPMTZANMFA-OZSDWXKXSA-N 0 3 428.449 -0.584 20 0 IBADHN C[C@@H](CO)NS(=O)(=O)c1ccc(C(=O)N2CCC(N3CCC[C@@H]3C(N)=O)CC2)cc1 ZINC001142969006 1073093435 /nfs/dbraw/zinc/09/34/35/1073093435.db2.gz GDTYUBUFOWBEHF-KBXCAEBGSA-N 0 3 438.550 -0.100 20 0 IBADHN C[C@H](CO)NS(=O)(=O)c1ccc(C(=O)N2CCC(N3CCC[C@H]3C(N)=O)CC2)cc1 ZINC001142969007 1073093316 /nfs/dbraw/zinc/09/33/16/1073093316.db2.gz GDTYUBUFOWBEHF-KDOFPFPSSA-N 0 3 438.550 -0.100 20 0 IBADHN C[C@@H](CO)NS(=O)(=O)c1ccc(C(=O)N2CCC(N3CCC[C@H]3C(N)=O)CC2)cc1 ZINC001142969008 1073093395 /nfs/dbraw/zinc/09/33/95/1073093395.db2.gz GDTYUBUFOWBEHF-KSSFIOAISA-N 0 3 438.550 -0.100 20 0 IBADHN C[C@H](CO)NS(=O)(=O)c1ccc(C(=O)N2CCC(N3CCC[C@@H]3C(N)=O)CC2)cc1 ZINC001142969010 1073093474 /nfs/dbraw/zinc/09/34/74/1073093474.db2.gz GDTYUBUFOWBEHF-RDTXWAMCSA-N 0 3 438.550 -0.100 20 0 IBADHN CCN1C(=O)CO[C@H](C(=O)N2CCC(N3CCC[C@@H]3C(N)=O)CC2)[C@H]1c1nccn1C ZINC001142970163 1073093534 /nfs/dbraw/zinc/09/35/34/1073093534.db2.gz MQWLWNSCSKXVRX-NJAFHUGGSA-N 0 3 432.525 -0.351 20 0 IBADHN CCN1C(=O)CO[C@H](C(=O)N2CCC(N3CCC[C@H]3C(N)=O)CC2)[C@H]1c1nccn1C ZINC001142970164 1073093279 /nfs/dbraw/zinc/09/32/79/1073093279.db2.gz MQWLWNSCSKXVRX-SZMVWBNQSA-N 0 3 432.525 -0.351 20 0 IBADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)c1sccc1S(=O)(=O)N1CCOCC1 ZINC001142979511 1073093339 /nfs/dbraw/zinc/09/33/39/1073093339.db2.gz CRUKMRRQTWUSFL-CYBMUJFWSA-N 0 3 430.552 -0.039 20 0 IBADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)c1sccc1S(=O)(=O)N1CCOCC1 ZINC001142979512 1073093231 /nfs/dbraw/zinc/09/32/31/1073093231.db2.gz CRUKMRRQTWUSFL-ZDUSSCGKSA-N 0 3 430.552 -0.039 20 0 IBADHN CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)N2CN(CCN(C)C)C(=O)[C@@H]2C)cc1 ZINC001142979810 1073093137 /nfs/dbraw/zinc/09/31/37/1073093137.db2.gz KOKRXJWKSQGJOS-AWEZNQCLSA-N 0 3 439.538 -0.108 20 0 IBADHN CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)N2CN(CCN(C)C)C(=O)[C@H]2C)cc1 ZINC001142979811 1073093193 /nfs/dbraw/zinc/09/31/93/1073093193.db2.gz KOKRXJWKSQGJOS-CQSZACIVSA-N 0 3 439.538 -0.108 20 0 IBADHN CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)N2CN(CCN(C)C)C(=O)[C@@H]2C)cc1 ZINC001142979992 1073093360 /nfs/dbraw/zinc/09/33/60/1073093360.db2.gz ORLPMWMBLUYARY-AWEZNQCLSA-N 0 3 440.522 -0.280 20 0 IBADHN CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)N2CN(CCN(C)C)C(=O)[C@H]2C)cc1 ZINC001142979993 1073093501 /nfs/dbraw/zinc/09/35/01/1073093501.db2.gz ORLPMWMBLUYARY-CQSZACIVSA-N 0 3 440.522 -0.280 20 0 IBADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)c1cc(S(N)(=O)=O)ccc1N1CCOCC1 ZINC001142979998 1073093076 /nfs/dbraw/zinc/09/30/76/1073093076.db2.gz OTTYPQSCIKOURV-AWEZNQCLSA-N 0 3 439.538 -0.637 20 0 IBADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)c1cc(S(N)(=O)=O)ccc1N1CCOCC1 ZINC001142979999 1073093584 /nfs/dbraw/zinc/09/35/84/1073093584.db2.gz OTTYPQSCIKOURV-CQSZACIVSA-N 0 3 439.538 -0.637 20 0 IBADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C ZINC001142980269 1073093164 /nfs/dbraw/zinc/09/31/64/1073093164.db2.gz WLVNYJIMWIJEMR-KBPBESRZSA-N 0 3 434.559 -0.107 20 0 IBADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)[C@H](CCS(C)(=O)=O)NC(=O)OC(C)(C)C ZINC001142980270 1073093559 /nfs/dbraw/zinc/09/35/59/1073093559.db2.gz WLVNYJIMWIJEMR-KGLIPLIRSA-N 0 3 434.559 -0.107 20 0 IBADHN CN1CCN(CCC(=O)N2CCCn3nnc(COCC(=O)N4CCCC4)c3C2)CC1 ZINC001143224806 1073095978 /nfs/dbraw/zinc/09/59/78/1073095978.db2.gz CKXPXJMNGBQZPW-UHFFFAOYSA-N 0 3 433.557 -0.213 20 0 IBADHN Cn1ccnc1C(=O)NCc1cnc2n1CCN(C(=O)CCN1CCN(C)CC1)CC2 ZINC001143230061 1073095763 /nfs/dbraw/zinc/09/57/63/1073095763.db2.gz CGQYBWWYIYIHIC-UHFFFAOYSA-N 0 3 428.541 -0.431 20 0 IBADHN Cn1cnc2c1[C@H](COCCN1CCOCC1)CN(C(=O)CCN1CCN(C)CC1)C2 ZINC001143230263 1073095848 /nfs/dbraw/zinc/09/58/48/1073095848.db2.gz GGERJKXQBLQNGG-IBGZPJMESA-N 0 3 434.585 -0.168 20 0 IBADHN Cn1cnc2c1[C@@H](COCCN1CCOCC1)CN(C(=O)CCN1CCN(C)CC1)C2 ZINC001143230264 1073096034 /nfs/dbraw/zinc/09/60/34/1073096034.db2.gz GGERJKXQBLQNGG-LJQANCHMSA-N 0 3 434.585 -0.168 20 0 IBADHN CN1CCN(CCC(=O)N2C[C@H]3C[C@H]4[C@@](CN(Cc5ccncc5)S4(=O)=O)(C2)O3)CC1 ZINC001143231117 1073096099 /nfs/dbraw/zinc/09/60/99/1073096099.db2.gz RKPJHLRDXZJXCR-DYXWJJEUSA-N 0 3 449.577 -0.397 20 0 IBADHN CN1CCN(CCC(=O)N2Cc3nccn3C[C@H](CNC(=O)c3ccnnc3)C2)CC1 ZINC001143231446 1073095723 /nfs/dbraw/zinc/09/57/23/1073095723.db2.gz WLNUNBORFXOSFT-KRWDZBQOSA-N 0 3 426.525 -0.301 20 0 IBADHN CN1CCN(CCC(=O)N2Cc3nccn3C[C@@H](CNC(=O)c3ccnnc3)C2)CC1 ZINC001143231454 1073095798 /nfs/dbraw/zinc/09/57/98/1073095798.db2.gz WLNUNBORFXOSFT-QGZVFWFLSA-N 0 3 426.525 -0.301 20 0 IBADHN CC(=O)N1CC(=O)N(c2cccnc2)C[C@]12CCN(C(=O)CCN1CCN(C)CC1)C2 ZINC001143231616 1073096069 /nfs/dbraw/zinc/09/60/69/1073096069.db2.gz XUWOWLLQJRDCPF-JOCHJYFZSA-N 0 3 428.537 -0.115 20 0 IBADHN CC(=O)N1CC(=O)N(c2cccnc2)C[C@@]12CCN(C(=O)CCN1CCN(C)CC1)C2 ZINC001143231617 1073096137 /nfs/dbraw/zinc/09/61/37/1073096137.db2.gz XUWOWLLQJRDCPF-QFIPXVFZSA-N 0 3 428.537 -0.115 20 0 IBADHN CN1CCN(CCC(=O)Nc2cc(Cl)c(S(N)(=O)=O)cc2S(N)(=O)=O)CC1 ZINC001143232064 1073095920 /nfs/dbraw/zinc/09/59/20/1073095920.db2.gz BNOVHSXQVOBWNI-UHFFFAOYSA-N 0 3 439.947 -0.789 20 0 IBADHN CN1CCN(CCC(=O)Nc2ccc(S[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@@H]3O)cc2)CC1 ZINC001143236547 1073096728 /nfs/dbraw/zinc/09/67/28/1073096728.db2.gz KVGGGXLIETVYAR-HTDHLNIYSA-N 0 3 441.550 -0.845 20 0 IBADHN CN1CCN(CCC(=O)Nc2ccc(S[C@@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@H]3O)cc2)CC1 ZINC001143236548 1073096455 /nfs/dbraw/zinc/09/64/55/1073096455.db2.gz KVGGGXLIETVYAR-JUSBFGHESA-N 0 3 441.550 -0.845 20 0 IBADHN CN1CCN(CCC(=O)Nc2ccc(S[C@@H]3O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]3O)cc2)CC1 ZINC001143236549 1073096336 /nfs/dbraw/zinc/09/63/36/1073096336.db2.gz KVGGGXLIETVYAR-XZEJUNMKSA-N 0 3 441.550 -0.845 20 0 IBADHN CN1CCN(CCC(=O)Nc2ccc(S[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)cc2)CC1 ZINC001143236550 1073096527 /nfs/dbraw/zinc/09/65/27/1073096527.db2.gz KVGGGXLIETVYAR-ZKIDJSGLSA-N 0 3 441.550 -0.845 20 0 IBADHN CN1CCN(CCC(=O)NCCS(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001143236584 1073096494 /nfs/dbraw/zinc/09/64/94/1073096494.db2.gz MGNAWUOSALWVLY-UHFFFAOYSA-N 0 3 447.602 -0.377 20 0 IBADHN CCOC(=O)[C@H](NC(=O)CCN1CCN(C)CC1)[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC001143236968 1073096610 /nfs/dbraw/zinc/09/66/10/1073096610.db2.gz XPXGMIVJPBDTJL-MOPGFXCFSA-N 0 3 441.550 -0.191 20 0 IBADHN CC(C)[C@H](NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)CCN1CCN(C)CC1)C(N)=O ZINC001143238264 1073096576 /nfs/dbraw/zinc/09/65/76/1073096576.db2.gz JSIZGOGPFPVUAC-QUCCMNQESA-N 0 3 433.553 -0.317 20 0 IBADHN Cc1cc(=O)oc2cc(NC(=O)CNC(=O)CNC(=O)CCN3CCN(C)CC3)ccc12 ZINC001143238471 1073096298 /nfs/dbraw/zinc/09/62/98/1073096298.db2.gz WORRNCBMQFYFRD-UHFFFAOYSA-N 0 3 443.504 -0.090 20 0 IBADHN COc1nccn(C(=O)C2CCCS2(=O)=O)c1=NS(=O)(=O)c1ccc(N)cc1 ZINC001143476529 1071315526 /nfs/dbraw/zinc/31/55/26/1071315526.db2.gz IHZKCXXEQZQFJB-CYBMUJFWSA-N 0 3 426.476 -0.019 20 0 IBADHN COc1nccn(C(=O)C2CCCS2(=O)=O)c1=NS(=O)(=O)c1ccc(N)cc1 ZINC001143476530 1071315576 /nfs/dbraw/zinc/31/55/76/1071315576.db2.gz IHZKCXXEQZQFJB-ZDUSSCGKSA-N 0 3 426.476 -0.019 20 0 IBADHN CN1CCC(N(CCO)C(=O)CNS(=O)(=O)c2cccc(S(C)(=O)=O)c2)CC1 ZINC001143829223 1074069174 /nfs/dbraw/zinc/06/91/74/1074069174.db2.gz QCBLBTDMMFUNRT-UHFFFAOYSA-N 0 3 433.552 -0.717 20 0 IBADHN O=C(CCNS(=O)(=O)c1ccc2c(c1)OCCCO2)N1CCN2C[C@H](O)C[C@H]2C1 ZINC001144246618 1074071971 /nfs/dbraw/zinc/07/19/71/1074071971.db2.gz NQZOLTAKSRNAPS-LSDHHAIUSA-N 0 3 425.507 -0.206 20 0 IBADHN C[C@@H](CC(=O)n1c2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2N)c(=O)nc1N)c1ccccc1 ZINC001144429822 1074074421 /nfs/dbraw/zinc/07/44/21/1074074421.db2.gz GOUDCZHRKWLHBM-NJMVTPPXSA-N 0 3 428.449 -0.413 20 0 IBADHN C[C@H](CC(=O)n1c2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2N)c(=O)nc1N)c1ccccc1 ZINC001144429824 1074074506 /nfs/dbraw/zinc/07/45/06/1074074506.db2.gz GOUDCZHRKWLHBM-NNOJAMEHSA-N 0 3 428.449 -0.413 20 0 IBADHN Cc1ccc([C@H](C)C(=O)n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c(=O)nc2N)cc1 ZINC001144456581 1074074630 /nfs/dbraw/zinc/07/46/30/1074074630.db2.gz LVBBTBITSWOIRV-UJTCXDOBSA-N 0 3 428.449 -0.495 20 0 IBADHN Cc1ccc([C@@H](C)C(=O)n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c(=O)nc2N)cc1 ZINC001144456582 1074074551 /nfs/dbraw/zinc/07/45/51/1074074551.db2.gz LVBBTBITSWOIRV-ZOGNHESBSA-N 0 3 428.449 -0.495 20 0 IBADHN CCN(CC)CC(=O)N1CCN(C(=O)[C@H]2OCC(=O)N(CC)[C@@H]2c2ccnn2C)CC1 ZINC001144579203 1074074933 /nfs/dbraw/zinc/07/49/33/1074074933.db2.gz CRIKJTREBYQHIE-UXHICEINSA-N 0 3 434.541 -0.279 20 0 IBADHN CCC[C@H]1CC[C@H](C(=O)n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c(=O)nc2N)CC1 ZINC001144642857 1074076670 /nfs/dbraw/zinc/07/66/70/1074076670.db2.gz PCTOHOPXBADSFL-SOHVBKJPSA-N 0 3 434.497 0.000 20 0 IBADHN CC(C)[C@H]1CC[C@H](C(=O)n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c(=O)nc2N)CC1 ZINC001144656072 1074076711 /nfs/dbraw/zinc/07/67/11/1074076711.db2.gz KOQWBFWFTFYNKL-SOHVBKJPSA-N 0 3 434.497 -0.144 20 0 IBADHN Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c2n1C(=O)Cc1ccc(C2CC2)cc1 ZINC001144724310 1074077023 /nfs/dbraw/zinc/07/70/23/1074077023.db2.gz WFSGZOBDEPATOY-UNFPFYSMSA-N 0 3 440.460 -0.487 20 0 IBADHN CC(C)(CC(=O)n1c2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2N)c(=O)nc1N)c1ccccc1 ZINC001144733645 1074077000 /nfs/dbraw/zinc/07/70/00/1074077000.db2.gz WWBYUOAHHQJLAS-OZSDWXKXSA-N 0 3 442.476 -0.239 20 0 IBADHN Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)N2CCN(CCN(C)C)C(=O)C2)CC1 ZINC001144757363 1074077480 /nfs/dbraw/zinc/07/74/80/1074077480.db2.gz WDKNNXNKLTWGJY-UHFFFAOYSA-N 0 3 440.570 -0.340 20 0 IBADHN CN(C)CCN1CCN(C(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)CC1=O ZINC001144757642 1074077637 /nfs/dbraw/zinc/07/76/37/1074077637.db2.gz YPWASVSLOZBOHU-UHFFFAOYSA-N 0 3 444.579 -0.456 20 0 IBADHN Cc1ccc(OCCC(=O)n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c(=O)nc2N)cc1 ZINC001144760699 1074077730 /nfs/dbraw/zinc/07/77/30/1074077730.db2.gz RSOLBZYPJZVQFB-OZSDWXKXSA-N 0 3 444.448 -0.829 20 0 IBADHN Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c2n1C(=O)C12CC3CC(CC(C3)C1)C2 ZINC001144768114 1074077683 /nfs/dbraw/zinc/07/76/83/1074077683.db2.gz KUSZJFGNCZXWMJ-RSCYYHHFSA-N 0 3 444.492 -0.390 20 0 IBADHN O=C(Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1)C(=O)[C@H](O)[C@H](O)[C@H](O)CO ZINC001144905064 1074080640 /nfs/dbraw/zinc/08/06/40/1074080640.db2.gz PHWYHIHEMXCCQK-NJDAHSKKSA-N 0 3 443.500 -0.409 20 0 IBADHN O=C(Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1)C(=O)[C@H](O)[C@@H](O)[C@@H](O)CO ZINC001144905066 1074080677 /nfs/dbraw/zinc/08/06/77/1074080677.db2.gz PHWYHIHEMXCCQK-PCCBWWKXSA-N 0 3 443.500 -0.409 20 0 IBADHN O=C(Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1)C(=O)[C@H](O)[C@H](O)[C@@H](O)CO ZINC001144905068 1074080597 /nfs/dbraw/zinc/08/05/97/1074080597.db2.gz PHWYHIHEMXCCQK-PWRODBHTSA-N 0 3 443.500 -0.409 20 0 IBADHN O=C(Nc1ccc(N2CCN(Cc3ccccc3)CC2)cc1)C(=O)[C@H](O)[C@@H](O)[C@H](O)CO ZINC001144905070 1074080692 /nfs/dbraw/zinc/08/06/92/1074080692.db2.gz PHWYHIHEMXCCQK-QHAWAJNXSA-N 0 3 443.500 -0.409 20 0 IBADHN COc1cccc(C[C@H](N)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N2CCC[C@H]2C(N)=O)c1 ZINC001144943438 1074082831 /nfs/dbraw/zinc/08/28/31/1074082831.db2.gz IHPSQCRPFDFNKF-BZSNNMDCSA-N 0 3 428.493 -0.508 20 0 IBADHN COc1cccc(C[C@H](N)C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N2CCC[C@H]2C(N)=O)c1 ZINC001144943438 1074082820 /nfs/dbraw/zinc/08/28/20/1074082820.db2.gz IHPSQCRPFDFNKF-BZSNNMDCSA-N 0 3 428.493 -0.508 20 0 IBADHN COc1cccc(C[C@@H](N)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N2CCC[C@H]2C(N)=O)c1 ZINC001144943440 1074082862 /nfs/dbraw/zinc/08/28/62/1074082862.db2.gz IHPSQCRPFDFNKF-SQNIBIBYSA-N 0 3 428.493 -0.508 20 0 IBADHN COc1cccc(C[C@@H](N)C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N2CCC[C@H]2C(N)=O)c1 ZINC001144943440 1074082856 /nfs/dbraw/zinc/08/28/56/1074082856.db2.gz IHPSQCRPFDFNKF-SQNIBIBYSA-N 0 3 428.493 -0.508 20 0 IBADHN CNC(=O)CN1CCCC12CCN(C(=O)CNC(=O)CNC(=O)OC(C)(C)C)CC2 ZINC001146236297 1074092215 /nfs/dbraw/zinc/09/22/15/1074092215.db2.gz RMDNLQOUUIQHGZ-UHFFFAOYSA-N 0 3 425.530 -0.170 20 0 IBADHN CC1(C)[C@H](C(=O)NCC(=O)N2CCN(C3CCCCC3)CC2)N2C(=O)C[C@H]2S1(=O)=O ZINC001146266530 1074092977 /nfs/dbraw/zinc/09/29/77/1074092977.db2.gz KIELUNBJQBCPNK-MSOLQXFVSA-N 0 3 440.566 -0.287 20 0 IBADHN Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c2n1C(=O)CC1Cc2ccccc2C1 ZINC001146804405 1074098651 /nfs/dbraw/zinc/09/86/51/1074098651.db2.gz SZXLXOIFEAAHKS-UNFPFYSMSA-N 0 3 440.460 -0.802 20 0 IBADHN C[C@@H](NC(=O)Cn1cnnn1)C(=O)NCc1ccc(C(=O)NCCN2CCCC2)cc1 ZINC001146978470 1074099451 /nfs/dbraw/zinc/09/94/51/1074099451.db2.gz MIYPNUPDVONNDI-OAHLLOKOSA-N 0 3 428.497 -0.680 20 0 IBADHN CN(C)CCN1C[C@H](C(=O)N2CCOC[C@]2(CO)CNC(=O)OC(C)(C)C)CC1=O ZINC001147631910 1074103234 /nfs/dbraw/zinc/10/32/34/1074103234.db2.gz FDVPZKBIWRHJHM-FOIQADDNSA-N 0 3 428.530 -0.489 20 0 IBADHN CN(C)CCN1C[C@@H](C(=O)N2CCOC[C@]2(CO)CNC(=O)OC(C)(C)C)CC1=O ZINC001147631911 1074103218 /nfs/dbraw/zinc/10/32/18/1074103218.db2.gz FDVPZKBIWRHJHM-MGPUTAFESA-N 0 3 428.530 -0.489 20 0 IBADHN CN(C)CCN1C[C@H](C(=O)N2CCOC[C@@]2(CO)CNC(=O)OC(C)(C)C)CC1=O ZINC001147631912 1074103212 /nfs/dbraw/zinc/10/32/12/1074103212.db2.gz FDVPZKBIWRHJHM-QRWLVFNGSA-N 0 3 428.530 -0.489 20 0 IBADHN CN(C)CCN1C[C@@H](C(=O)N2CCOC[C@@]2(CO)CNC(=O)OC(C)(C)C)CC1=O ZINC001147631913 1074103136 /nfs/dbraw/zinc/10/31/36/1074103136.db2.gz FDVPZKBIWRHJHM-YWZLYKJASA-N 0 3 428.530 -0.489 20 0 IBADHN O=C(c1cc(=O)[n-]c(=O)[nH]1)n1cc2c(nc1=NCC1CC1)[C@H]1C[NH2+]C[C@H]1S(=O)(=O)C2 ZINC001147693732 1074104340 /nfs/dbraw/zinc/10/43/40/1074104340.db2.gz XPRWYARUKCIRDW-WCQYABFASA-N 0 3 432.462 -0.933 20 0 IBADHN CC(C)(C)c1ccc(C(=O)n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c(=O)nc2N)cn1 ZINC001147803547 1074107498 /nfs/dbraw/zinc/10/74/98/1074107498.db2.gz GTPPTFXCRFIYLK-JZUNMBGUSA-N 0 3 443.464 -0.866 20 0 IBADHN CC(=O)N[C@@H](CC(=O)N1CCC(C(=O)NCCN(C)Cc2ccccc2)CC1)C(N)=O ZINC001148288005 1074112612 /nfs/dbraw/zinc/11/26/12/1074112612.db2.gz MQYYTWXMXHKLSW-IBGZPJMESA-N 0 3 431.537 -0.147 20 0 IBADHN CC(C)c1ccc(C(=O)n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c(=O)nc2N)cc1 ZINC001148322304 1074112582 /nfs/dbraw/zinc/11/25/82/1074112582.db2.gz CXBVMOOSVBEDTM-DZDCQFRTSA-N 0 3 428.449 -0.435 20 0 IBADHN CC(C)Oc1ccc(C(=O)n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c(=O)nc2N)cc1 ZINC001148401453 1074113123 /nfs/dbraw/zinc/11/31/23/1074113123.db2.gz RZSYQQASECETAI-DZDCQFRTSA-N 0 3 444.448 -0.771 20 0 IBADHN Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c2n1C(=O)c1cc(Cl)ccc1F ZINC001148431011 1074113192 /nfs/dbraw/zinc/11/31/92/1074113192.db2.gz OTOIDVLZHPZSPU-NKTGWMFESA-N 0 3 438.803 -0.766 20 0 IBADHN Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c2n1C(=O)c1ccccc1C1CC1 ZINC001148479616 1074113152 /nfs/dbraw/zinc/11/31/52/1074113152.db2.gz FSJWRXUKMJBUBK-DZDCQFRTSA-N 0 3 426.433 -0.681 20 0 IBADHN Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c2n1C(=O)c1cccc2c1CCCC2 ZINC001148636343 1074114350 /nfs/dbraw/zinc/11/43/50/1074114350.db2.gz QYIALWLFCDYIRO-NOAAKOMESA-N 0 3 440.460 -0.680 20 0 IBADHN CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)N(C)CCN(C)CCO)c2)CC1 ZINC001149206253 1073097753 /nfs/dbraw/zinc/09/77/53/1073097753.db2.gz PZPMAVWLSDSHQU-UHFFFAOYSA-N 0 3 426.539 -0.465 20 0 IBADHN Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c2n1C(=O)c1cccc2ccsc21 ZINC001149523004 1073099183 /nfs/dbraw/zinc/09/91/83/1073099183.db2.gz ANIGPZZYIDWQPN-RDTWTUCRSA-N 0 3 442.457 -0.344 20 0 IBADHN Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c2n1C(=O)c1cc2cccnc2s1 ZINC001149538673 1073099346 /nfs/dbraw/zinc/09/93/46/1073099346.db2.gz GAFPWOJIROAANK-ZVPNGFHTSA-N 0 3 443.445 -0.949 20 0 IBADHN Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c2n1C(=O)c1cc2ccccc2s1 ZINC001149809700 1073099979 /nfs/dbraw/zinc/09/99/79/1073099979.db2.gz ZWLCXPBVAZJGJS-GJBUKGCLSA-N 0 3 442.457 -0.344 20 0 IBADHN Nc1cn(C(=O)c2nc3c(=O)[nH]c4ccccc4n3n2)ccc1=NCCN1CCOCC1 ZINC001149827881 1073099951 /nfs/dbraw/zinc/09/99/51/1073099951.db2.gz UPRQWQKRYBTNTN-UHFFFAOYSA-N 0 3 434.460 -0.124 20 0 IBADHN CN(C)C[C@@H]1COCCN1C(=O)c1ccc2nnc([C@@H]3CCN(S(C)(=O)=O)C3)n2c1 ZINC001150456785 1073114034 /nfs/dbraw/zinc/11/40/34/1073114034.db2.gz KICZRAKEPZAYHW-GDBMZVCRSA-N 0 3 436.538 -0.119 20 0 IBADHN CN(C)C[C@@H]1COCCN1C(=O)c1ccc2nnc([C@H]3CCN(S(C)(=O)=O)C3)n2c1 ZINC001150456786 1073114130 /nfs/dbraw/zinc/11/41/30/1073114130.db2.gz KICZRAKEPZAYHW-GOEBONIOSA-N 0 3 436.538 -0.119 20 0 IBADHN CN(C)C[C@H]1COCCN1C(=O)c1ccc2nnc([C@H]3CCN(S(C)(=O)=O)C3)n2c1 ZINC001150456787 1073113960 /nfs/dbraw/zinc/11/39/60/1073113960.db2.gz KICZRAKEPZAYHW-HOCLYGCPSA-N 0 3 436.538 -0.119 20 0 IBADHN CN(C)C[C@H]1COCCN1C(=O)c1ccc2nnc([C@@H]3CCN(S(C)(=O)=O)C3)n2c1 ZINC001150456788 1073113919 /nfs/dbraw/zinc/11/39/19/1073113919.db2.gz KICZRAKEPZAYHW-ZBFHGGJFSA-N 0 3 436.538 -0.119 20 0 IBADHN CN1CCC(CO)(NC(=O)c2ccc3nnc([C@H]4CCN(S(C)(=O)=O)C4)n3c2)CC1 ZINC001150463917 1073115091 /nfs/dbraw/zinc/11/50/91/1073115091.db2.gz BDSWHHAKUYWIIV-AWEZNQCLSA-N 0 3 436.538 -0.335 20 0 IBADHN CN1CCC(CO)(NC(=O)c2ccc3nnc([C@@H]4CCN(S(C)(=O)=O)C4)n3c2)CC1 ZINC001150463919 1073115151 /nfs/dbraw/zinc/11/51/51/1073115151.db2.gz BDSWHHAKUYWIIV-CQSZACIVSA-N 0 3 436.538 -0.335 20 0 IBADHN COC(=O)CS(=O)(=O)Cc1ccc(CNC(=O)[C@H]2CC(=O)N(CCN(C)C)C2)cc1 ZINC001150559420 1073115759 /nfs/dbraw/zinc/11/57/59/1073115759.db2.gz QYUIVENFELDVBT-KRWDZBQOSA-N 0 3 439.534 -0.199 20 0 IBADHN COC(=O)CS(=O)(=O)Cc1ccc(CNC(=O)[C@@H]2CC(=O)N(CCN(C)C)C2)cc1 ZINC001150559421 1073115749 /nfs/dbraw/zinc/11/57/49/1073115749.db2.gz QYUIVENFELDVBT-QGZVFWFLSA-N 0 3 439.534 -0.199 20 0 IBADHN Cc1cc2cc(C(=O)n3c4c(ncn4[C@@H]4O[C@H](CO)[C@@H](O)[C@H]4N)c(=O)nc3N)ccc2o1 ZINC001150747931 1073116860 /nfs/dbraw/zinc/11/68/60/1073116860.db2.gz VVILZFJCEZMPBD-DZDCQFRTSA-N 0 3 440.416 -0.504 20 0 IBADHN Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c2n1C(=O)c1cc2c(s1)CCCC2 ZINC001150815633 1073116795 /nfs/dbraw/zinc/11/67/95/1073116795.db2.gz WRHQNOJRANGXJO-GJBUKGCLSA-N 0 3 446.489 -0.618 20 0 IBADHN Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c2n1C(=O)c1csc2c1CCCC2 ZINC001150985819 1073117434 /nfs/dbraw/zinc/11/74/34/1073117434.db2.gz JUGCQSWZCWNBCW-JZUNMBGUSA-N 0 3 446.489 -0.618 20 0 IBADHN CCN1C(=O)CO[C@H](C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)[C@H]1c1ccnn1C ZINC001151862320 1073121466 /nfs/dbraw/zinc/12/14/66/1073121466.db2.gz WYDCIQLAZYLXPN-QRQLOZEOSA-N 0 3 432.525 -0.527 20 0 IBADHN CCN1C(=O)CO[C@H](C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)[C@H]1c1ccnn1C ZINC001151862327 1073121388 /nfs/dbraw/zinc/12/13/88/1073121388.db2.gz WYDCIQLAZYLXPN-UHOSZYNNSA-N 0 3 432.525 -0.527 20 0 IBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)CNc2ccc(S(N)(=O)=O)cc2F)CC1 ZINC001151862634 1073121335 /nfs/dbraw/zinc/12/13/35/1073121335.db2.gz YJZOPSVKNKFPGA-INIZCTEOSA-N 0 3 427.502 -0.350 20 0 IBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)CNc2ccc(S(N)(=O)=O)cc2F)CC1 ZINC001151862635 1073121296 /nfs/dbraw/zinc/12/12/96/1073121296.db2.gz YJZOPSVKNKFPGA-MRXNPFEDSA-N 0 3 427.502 -0.350 20 0 IBADHN CN1CCN(C2CCN(C(=O)[C@H]3CC(=O)N(c4cccc(S(N)(=O)=O)c4)C3)CC2)CC1 ZINC001152060032 1073123273 /nfs/dbraw/zinc/12/32/73/1073123273.db2.gz BUFQWYSFFCUNQC-INIZCTEOSA-N 0 3 449.577 -0.075 20 0 IBADHN CN1CCN(C2CCN(C(=O)[C@@H]3CC(=O)N(c4cccc(S(N)(=O)=O)c4)C3)CC2)CC1 ZINC001152060033 1073123241 /nfs/dbraw/zinc/12/32/41/1073123241.db2.gz BUFQWYSFFCUNQC-MRXNPFEDSA-N 0 3 449.577 -0.075 20 0 IBADHN O=C(N[C@@H]1CCC[C@H]1N1CCC(O)CC1)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC001152696687 1073127104 /nfs/dbraw/zinc/12/71/04/1073127104.db2.gz VOGMHTZWFWSPNJ-FRFSOERESA-N 0 3 426.539 -0.354 20 0 IBADHN O=C(N[C@@H]1CCC[C@@H]1N1CCC(O)CC1)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC001152696689 1073127142 /nfs/dbraw/zinc/12/71/42/1073127142.db2.gz VOGMHTZWFWSPNJ-LXZKKBNFSA-N 0 3 426.539 -0.354 20 0 IBADHN O=C(N[C@@H]1CCC[C@@H]1N1CCC(O)CC1)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC001152696691 1073127175 /nfs/dbraw/zinc/12/71/75/1073127175.db2.gz VOGMHTZWFWSPNJ-UNEWFSDZSA-N 0 3 426.539 -0.354 20 0 IBADHN O=C(N[C@@H]1CCC[C@H]1N1CCC(O)CC1)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC001152696693 1073126973 /nfs/dbraw/zinc/12/69/73/1073126973.db2.gz VOGMHTZWFWSPNJ-YSVLISHTSA-N 0 3 426.539 -0.354 20 0 IBADHN Cn1nnc2c(C(=O)NC[C@H]3C[C@H]4CN(C(=O)OC(C)(C)C)CCN4C3)ncn2c1=O ZINC001152756650 1073130600 /nfs/dbraw/zinc/13/06/00/1073130600.db2.gz VPHBBHULNUYZDC-OLZOCXBDSA-N 0 3 432.485 -0.506 20 0 IBADHN CN(CCNC(=O)c1ccc2c(c1)SC1=NS(=O)(=O)CCN21)CCOCCO ZINC001153234278 1073135598 /nfs/dbraw/zinc/13/55/98/1073135598.db2.gz YKTUNGOABBQIKF-UHFFFAOYSA-N 0 3 428.536 -0.031 20 0 IBADHN Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c2n1C(=O)c1cccc2sccc21 ZINC001153442766 1073136711 /nfs/dbraw/zinc/13/67/11/1073136711.db2.gz OGRIYZCFIAIMCN-JZUNMBGUSA-N 0 3 442.457 -0.344 20 0 IBADHN Cc1nc(S(=O)(=O)NCC(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)cn1C ZINC001153452458 1073136682 /nfs/dbraw/zinc/13/66/82/1073136682.db2.gz XSWGXKKPZRBXTP-UHFFFAOYSA-N 0 3 426.543 -0.661 20 0 IBADHN Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c2n1C(=O)c1scc2c1CCCC2 ZINC001153627132 1073137353 /nfs/dbraw/zinc/13/73/53/1073137353.db2.gz AIVGINGSODOYSB-RDTWTUCRSA-N 0 3 446.489 -0.618 20 0 IBADHN NC(=O)CNS(=O)(=O)c1ccc(Cl)c(C(=O)N2C[C@@H]3CCCN3C[C@@H]2CO)c1 ZINC001153780738 1073137959 /nfs/dbraw/zinc/13/79/59/1073137959.db2.gz VJZAEVVIZDYUPU-NWDGAFQWSA-N 0 3 430.914 -0.615 20 0 IBADHN CN(C)CCN1CCN(C)C2(CCN(C(=O)c3cn(C)n4cccc4c3=O)CC2)C1=O ZINC001154647535 1073144472 /nfs/dbraw/zinc/14/44/72/1073144472.db2.gz HOLZAAGQXXWVAX-UHFFFAOYSA-N 0 3 428.537 -0.052 20 0 IBADHN COc1ccc(Cn2cc(C(=O)N(CC[NH3+])S(C)(=O)=O)c(=O)c3c[n-]c(=O)nc32)cc1 ZINC001155239094 1073147734 /nfs/dbraw/zinc/14/77/34/1073147734.db2.gz ARLCJCKJRZSRIA-UHFFFAOYSA-N 0 3 447.473 -0.086 20 0 IBADHN COc1ccc(Cn2cc(C(=O)N(CC[NH3+])S(C)(=O)=O)c([O-])c3cnc(=O)nc2-3)cc1 ZINC001155239094 1073147728 /nfs/dbraw/zinc/14/77/28/1073147728.db2.gz ARLCJCKJRZSRIA-UHFFFAOYSA-N 0 3 447.473 -0.086 20 0 IBADHN COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)NCCN(C)CCO)CC1 ZINC001155251105 1073147690 /nfs/dbraw/zinc/14/76/90/1073147690.db2.gz ICDRXAVIZNPAFT-UHFFFAOYSA-N 0 3 427.523 -0.086 20 0 IBADHN CN(CCO)CCNC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC001155251727 1073147983 /nfs/dbraw/zinc/14/79/83/1073147983.db2.gz XRJAQLPQLZJNCO-UHFFFAOYSA-N 0 3 444.529 -0.521 20 0 IBADHN CN1CCN(CCNC(=O)c2cc(S(=O)(=O)NCC(N)=O)ccc2Cl)CC1(C)C ZINC001155559351 1073149635 /nfs/dbraw/zinc/14/96/35/1073149635.db2.gz WDNAWUSWGNHBKB-UHFFFAOYSA-N 0 3 445.973 -0.141 20 0 IBADHN CN(C)CCN1CCN(C)C2(CCN(C(=O)c3ccc4c(n3)NC(=O)CO4)CC2)C1=O ZINC001155729877 1073151366 /nfs/dbraw/zinc/15/13/66/1073151366.db2.gz PTRCAZJRJYNISD-UHFFFAOYSA-N 0 3 430.509 -0.277 20 0 IBADHN COC(=O)[C@@H]1C[C@@H](Oc2nc3cc(OC)ccc3nc2N(C)S(=O)(=O)CCN)CN1 ZINC001156236597 1073153680 /nfs/dbraw/zinc/15/36/80/1073153680.db2.gz NIULOWWFBLUAAW-DOMZBBRYSA-N 0 3 439.494 -0.355 20 0 IBADHN Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c2n1C(=O)c1cccc2cnsc21 ZINC001156675457 1073156051 /nfs/dbraw/zinc/15/60/51/1073156051.db2.gz UMLSJCQTOWMGFN-LSGKAKCFSA-N 0 3 443.445 -0.949 20 0 IBADHN CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)N[C@H](CO)CN(C)C ZINC001157003429 1073157954 /nfs/dbraw/zinc/15/79/54/1073157954.db2.gz DCMHCGSJSPTJQW-HNNXBMFYSA-N 0 3 428.555 -0.326 20 0 IBADHN CCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)N[C@@H](CO)CN(C)C ZINC001157003430 1073157992 /nfs/dbraw/zinc/15/79/92/1073157992.db2.gz DCMHCGSJSPTJQW-OAHLLOKOSA-N 0 3 428.555 -0.326 20 0 IBADHN CN(C)C[C@@H](CO)NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC001157003762 1073157888 /nfs/dbraw/zinc/15/78/88/1073157888.db2.gz JOBBOLKTZDASHX-INIZCTEOSA-N 0 3 444.529 -0.523 20 0 IBADHN CN(C)C[C@H](CO)NC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC001157003763 1073157965 /nfs/dbraw/zinc/15/79/65/1073157965.db2.gz JOBBOLKTZDASHX-MRXNPFEDSA-N 0 3 444.529 -0.523 20 0 IBADHN CC(C)C[C@H](NC(=O)CC[C@@H](NC(=O)[C@H](C)N)C(N)=O)C(=O)NCC(=O)OC(C)(C)C ZINC001157309850 1073160316 /nfs/dbraw/zinc/16/03/16/1073160316.db2.gz MJBRLWYCKREDFJ-MJBXVCDLSA-N 0 3 443.545 -0.927 20 0 IBADHN CC(C)[C@H](NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@H]1CNCc2ccnn2C1)C(N)=O ZINC001157310289 1073160187 /nfs/dbraw/zinc/16/01/87/1073160187.db2.gz UMYPEENUWBKKHG-IPELMVKDSA-N 0 3 442.520 -0.338 20 0 IBADHN CC(C)[C@H](NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CNCc2ccnn2C1)C(N)=O ZINC001157310290 1073160194 /nfs/dbraw/zinc/16/01/94/1073160194.db2.gz UMYPEENUWBKKHG-LZQZEXGQSA-N 0 3 442.520 -0.338 20 0 IBADHN CC(C)C[C@H](NC(=O)[C@@H]1CCS(=O)(=O)C12CNC2)C(=O)NCC(=O)OC(C)(C)C ZINC001157310481 1073160794 /nfs/dbraw/zinc/16/07/94/1073160794.db2.gz YVCBWENGAPLRNX-KBPBESRZSA-N 0 3 431.555 -0.248 20 0 IBADHN CC(C)C[C@H](NC(=O)[C@H]1CCS(=O)(=O)C12CNC2)C(=O)NCC(=O)OC(C)(C)C ZINC001157310482 1073160863 /nfs/dbraw/zinc/16/08/63/1073160863.db2.gz YVCBWENGAPLRNX-KGLIPLIRSA-N 0 3 431.555 -0.248 20 0 IBADHN CC(C)[C@H](NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)CN1CCCC[C@H](N)C1=O)C(N)=O ZINC001157325147 1073161318 /nfs/dbraw/zinc/16/13/18/1073161318.db2.gz QAMTYNFJJCMNSO-SCTDSRPQSA-N 0 3 447.536 -0.615 20 0 IBADHN CC(C)[C@H](NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)C(N)=O ZINC001157325689 1073161255 /nfs/dbraw/zinc/16/12/55/1073161255.db2.gz XMMVXZILAMEADO-NBMRYCAZSA-N 0 3 447.536 -0.616 20 0 IBADHN COC(=O)CC[C@H](N)C(=O)NCC(=O)NCC(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC001157364748 1073162074 /nfs/dbraw/zinc/16/20/74/1073162074.db2.gz HLHJFYOYJWZHOA-AWEZNQCLSA-N 0 3 432.433 -0.447 20 0 IBADHN COC(=O)CC[C@@H](N)C(=O)NCC(=O)NCC(=O)Nc1ccc2c(C)cc(=O)oc2c1 ZINC001157364749 1073162203 /nfs/dbraw/zinc/16/22/03/1073162203.db2.gz HLHJFYOYJWZHOA-CQSZACIVSA-N 0 3 432.433 -0.447 20 0 IBADHN Cc1cc(=O)oc2cc(NC(=O)CNC(=O)CNC(=O)[C@H](C)NC(=O)[C@H](C)N)ccc12 ZINC001157364838 1073162117 /nfs/dbraw/zinc/16/21/17/1073162117.db2.gz KWQDUSCRBLSGJZ-RYUDHWBXSA-N 0 3 431.449 -0.876 20 0 IBADHN Cc1cc(=O)oc2cc(NC(=O)CNC(=O)CNC(=O)[C@@H](N)Cc3cnc[nH]3)ccc12 ZINC001157365266 1073162551 /nfs/dbraw/zinc/16/25/51/1073162551.db2.gz WMYAXQIDJYSTHZ-HNNXBMFYSA-N 0 3 426.433 -0.435 20 0 IBADHN Cc1cc(=O)oc2cc(NC(=O)CNC(=O)CNC(=O)[C@H](N)Cc3cnc[nH]3)ccc12 ZINC001157365267 1073162580 /nfs/dbraw/zinc/16/25/80/1073162580.db2.gz WMYAXQIDJYSTHZ-OAHLLOKOSA-N 0 3 426.433 -0.435 20 0 IBADHN Cc1cc(=O)oc2cc(NC(=O)CNC(=O)CNC(=O)[C@@H]3CCC4(CNC4)O3)ccc12 ZINC001157365432 1073163050 /nfs/dbraw/zinc/16/30/50/1073163050.db2.gz ZFIBDQOBWDYNAT-HNNXBMFYSA-N 0 3 428.445 -0.207 20 0 IBADHN Cc1cc(=O)oc2cc(NC(=O)CNC(=O)CNC(=O)[C@H]3CCC4(CNC4)O3)ccc12 ZINC001157365433 1073162989 /nfs/dbraw/zinc/16/29/89/1073162989.db2.gz ZFIBDQOBWDYNAT-OAHLLOKOSA-N 0 3 428.445 -0.207 20 0 IBADHN Cc1cc(=O)oc2cc(NC(=O)CNC(=O)CNC(=O)c3[nH]nc4c3CCNC4)ccc12 ZINC001157369836 1073163029 /nfs/dbraw/zinc/16/30/29/1073163029.db2.gz XJWZMKNFQGNKLM-UHFFFAOYSA-N 0 3 438.444 -0.045 20 0 IBADHN COc1ccc(CSC[C@H](N)C(=O)NCCO[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)cc1 ZINC001157421897 1073163871 /nfs/dbraw/zinc/16/38/71/1073163871.db2.gz BTRGDNOREZPOQH-KASRTTBUSA-N 0 3 430.523 -0.784 20 0 IBADHN CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCc1nccn1C ZINC001157422735 1073163812 /nfs/dbraw/zinc/16/38/12/1073163812.db2.gz MGLGZMJMEYWFJS-PXNSSMCTSA-N 0 3 428.537 -0.094 20 0 IBADHN C[C@@H]1O[C@@H](OCCNC(=O)[C@@H](N)Cc2ccc(OC(C)(C)C)cc2)[C@@H](O)[C@H](O)[C@@H]1O ZINC001157424468 1073164360 /nfs/dbraw/zinc/16/43/60/1073164360.db2.gz UYALXUJLKGKFKY-FKGJJHRXSA-N 0 3 426.510 -0.306 20 0 IBADHN C[C@@H]1O[C@@H](OCCNC(=O)[C@@H](N)Cc2ccc3c(c2)COC(C)(C)O3)[C@@H](O)[C@H](O)[C@@H]1O ZINC001157425008 1073164344 /nfs/dbraw/zinc/16/43/44/1073164344.db2.gz YHDYEEIBRJBOLC-XHSAXZSQSA-N 0 3 440.493 -0.838 20 0 IBADHN CC(C)[C@H](NC(=O)[C@@H](O)CN)C(=O)NCCOCCOCCOCc1ccccc1 ZINC001157432341 1073164411 /nfs/dbraw/zinc/16/44/11/1073164411.db2.gz AICMOXCRFWNTCY-OALUTQOASA-N 0 3 425.526 -0.187 20 0 IBADHN CNC(=O)C1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](N)C(C)C)CC1 ZINC001157494789 1073164956 /nfs/dbraw/zinc/16/49/56/1073164956.db2.gz AIAYCNREJMUXEQ-ICSRJNTNSA-N 0 3 445.564 -0.202 20 0 IBADHN COC(=O)N1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](N)C(C)C)CC1 ZINC001157506933 1073164908 /nfs/dbraw/zinc/16/49/08/1073164908.db2.gz BDWJHBDZYYVHPD-HKUYNNGSSA-N 0 3 447.536 -0.276 20 0 IBADHN COC(=O)N1CCN(C(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)N)CC1 ZINC001157507674 1073164933 /nfs/dbraw/zinc/16/49/33/1073164933.db2.gz KLWVQUZJKAGKJH-JYJNAYRXSA-N 0 3 425.530 -0.234 20 0 IBADHN CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCn2cnnc2C1 ZINC001157508046 1073164805 /nfs/dbraw/zinc/16/48/05/1073164805.db2.gz OTMMRGSMXKWIFH-LPHOPBHVSA-N 0 3 427.509 -0.553 20 0 IBADHN CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CC(N2CC(F)C2)C1 ZINC001157527601 1073164781 /nfs/dbraw/zinc/16/47/81/1073164781.db2.gz OIHAFRDHPWQFOW-ICSRJNTNSA-N 0 3 433.528 -0.322 20 0 IBADHN CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1CCc2cnccc2C1)C(=O)CF ZINC001157569448 1073165304 /nfs/dbraw/zinc/16/53/04/1073165304.db2.gz ZGFDVXWBVDRPCC-AXHNFQJDSA-N 0 3 435.500 -0.132 20 0 IBADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC(N2C(=O)OC[C@H]2c2ccccc2)CC1 ZINC001157673476 1073165843 /nfs/dbraw/zinc/16/58/43/1073165843.db2.gz NSIJAOHEPAXIQF-JQFCIGGWSA-N 0 3 431.493 -0.122 20 0 IBADHN COC1(C)CCN(C(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)C(C)C)C(=O)CF)CC1 ZINC001157689298 1073165881 /nfs/dbraw/zinc/16/58/81/1073165881.db2.gz UJTNEVAMVHGTDP-ZQIUZPCESA-N 0 3 430.521 -0.085 20 0 IBADHN CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1CCOCC(F)(F)C1)C(=O)CF ZINC001157708419 1073165743 /nfs/dbraw/zinc/16/57/43/1073165743.db2.gz PCVBBQPQNISLMC-HUBLWGQQSA-N 0 3 438.447 -0.618 20 0 IBADHN COC(=O)[C@@]1(F)CCN(C(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)C(C)C)C(=O)CF)C1 ZINC001157716471 1073165727 /nfs/dbraw/zinc/16/57/27/1073165727.db2.gz NYOLXMNRRDCTSZ-CIMWUQIDSA-N 0 3 448.467 -0.999 20 0 IBADHN COC(=O)[C@]1(F)CCN(C(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)C(C)C)C(=O)CF)C1 ZINC001157716472 1073165864 /nfs/dbraw/zinc/16/58/64/1073165864.db2.gz NYOLXMNRRDCTSZ-UPDUFCCMSA-N 0 3 448.467 -0.999 20 0 IBADHN COC(=O)[C@]1(F)CCN(C(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)N)C1 ZINC001157717168 1073165894 /nfs/dbraw/zinc/16/58/94/1073165894.db2.gz XOWRKLASNPJULU-KZDUYQQSSA-N 0 3 428.505 -0.031 20 0 IBADHN COC(=O)[C@@]1(F)CCN(C(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)N)C1 ZINC001157717169 1073165901 /nfs/dbraw/zinc/16/59/01/1073165901.db2.gz XOWRKLASNPJULU-VPCSNGCSSA-N 0 3 428.505 -0.031 20 0 IBADHN CN(C[C@H]1CNCCO1)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCC(=O)N1 ZINC001157720398 1073165826 /nfs/dbraw/zinc/16/58/26/1073165826.db2.gz IJLDHULWWRANNU-MNEFBYGVSA-N 0 3 427.505 -0.079 20 0 IBADHN CN(C[C@@H]1CNCCO1)C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCC(=O)N1 ZINC001157720399 1073165907 /nfs/dbraw/zinc/16/59/07/1073165907.db2.gz IJLDHULWWRANNU-SNRMKQJTSA-N 0 3 427.505 -0.079 20 0 IBADHN CN(C)C(=O)N1CCN(C)[C@@H](c2nnc3ccc(C(=O)N(C)C[C@@H]4CNCCO4)cn32)C1 ZINC001157720524 1073165795 /nfs/dbraw/zinc/16/57/95/1073165795.db2.gz LBXXDIUTUZHLNT-DLBZAZTESA-N 0 3 444.540 -0.240 20 0 IBADHN CN(C)C(=O)N1CCN(C)[C@@H](c2nnc3ccc(C(=O)N(C)C[C@H]4CNCCO4)cn32)C1 ZINC001157720525 1073165870 /nfs/dbraw/zinc/16/58/70/1073165870.db2.gz LBXXDIUTUZHLNT-IAGOWNOFSA-N 0 3 444.540 -0.240 20 0 IBADHN CN(C)C(=O)N1CCN(C)[C@H](c2nnc3ccc(C(=O)N(C)C[C@@H]4CNCCO4)cn32)C1 ZINC001157720526 1073165733 /nfs/dbraw/zinc/16/57/33/1073165733.db2.gz LBXXDIUTUZHLNT-IRXDYDNUSA-N 0 3 444.540 -0.240 20 0 IBADHN CN(C)C(=O)N1CCN(C)[C@H](c2nnc3ccc(C(=O)N(C)C[C@H]4CNCCO4)cn32)C1 ZINC001157720527 1073165801 /nfs/dbraw/zinc/16/58/01/1073165801.db2.gz LBXXDIUTUZHLNT-SJORKVTESA-N 0 3 444.540 -0.240 20 0 IBADHN Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@H]2C(=O)N(C)C[C@H]2CNCCO2)cc1 ZINC001157720573 1073165857 /nfs/dbraw/zinc/16/58/57/1073165857.db2.gz MBYUIUXYLGKMMD-AEFFLSMTSA-N 0 3 438.550 -0.289 20 0 IBADHN Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@H]2C(=O)N(C)C[C@@H]2CNCCO2)cc1 ZINC001157720574 1073165813 /nfs/dbraw/zinc/16/58/13/1073165813.db2.gz MBYUIUXYLGKMMD-WMZOPIPTSA-N 0 3 438.550 -0.289 20 0 IBADHN CCN1CCN(C(=O)N[C@@H](C(=O)N(C)C[C@@H]2CNCCO2)c2ccccc2)C(=O)C1=O ZINC001157721197 1073166317 /nfs/dbraw/zinc/16/63/17/1073166317.db2.gz VCWMVEHMTYUFEA-DLBZAZTESA-N 0 3 431.493 -0.425 20 0 IBADHN CCN1CCN(C(=O)N[C@@H](C(=O)N(C)C[C@H]2CNCCO2)c2ccccc2)C(=O)C1=O ZINC001157721199 1073166239 /nfs/dbraw/zinc/16/62/39/1073166239.db2.gz VCWMVEHMTYUFEA-IAGOWNOFSA-N 0 3 431.493 -0.425 20 0 IBADHN CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1C[C@@H](F)C[C@H](CO)C1)C(=O)CF ZINC001157729899 1073166694 /nfs/dbraw/zinc/16/66/94/1073166694.db2.gz ITOQJTANHIZNGB-DEEHTKSCSA-N 0 3 434.484 -0.933 20 0 IBADHN CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1C[C@H](F)C[C@H](CO)C1)C(=O)CF ZINC001157729900 1073166675 /nfs/dbraw/zinc/16/66/75/1073166675.db2.gz ITOQJTANHIZNGB-LHLGERLTSA-N 0 3 434.484 -0.933 20 0 IBADHN CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1C[C@H](F)C[C@@H](CO)C1)C(=O)CF ZINC001157729901 1073166636 /nfs/dbraw/zinc/16/66/36/1073166636.db2.gz ITOQJTANHIZNGB-SMRWVPHVSA-N 0 3 434.484 -0.933 20 0 IBADHN CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1C[C@H](CO)C[C@H](F)C1)C(=O)CF ZINC001157729902 1073166544 /nfs/dbraw/zinc/16/65/44/1073166544.db2.gz ITOQJTANHIZNGB-WLZFUECHSA-N 0 3 434.484 -0.933 20 0 IBADHN CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1CCC[C@@H](F)C(=O)C1)C(=O)CF ZINC001157730680 1073166558 /nfs/dbraw/zinc/16/65/58/1073166558.db2.gz PXEQSJGQWMAWOW-LKQDWFRTSA-N 0 3 432.468 -0.583 20 0 IBADHN CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1CCC[C@H](F)C(=O)C1)C(=O)CF ZINC001157730681 1073166647 /nfs/dbraw/zinc/16/66/47/1073166647.db2.gz PXEQSJGQWMAWOW-MRHIQRDNSA-N 0 3 432.468 -0.583 20 0 IBADHN CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1C[C@H](F)C[C@H](CO)C1 ZINC001157732408 1073166595 /nfs/dbraw/zinc/16/65/95/1073166595.db2.gz ZWFLHQFUVLKDLD-DMUMMCEESA-N 0 3 436.528 -0.008 20 0 IBADHN CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1C[C@@H](F)C[C@H](CO)C1 ZINC001157732409 1073166566 /nfs/dbraw/zinc/16/65/66/1073166566.db2.gz ZWFLHQFUVLKDLD-JPLJXNOCSA-N 0 3 436.528 -0.008 20 0 IBADHN CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1C[C@H](CO)C[C@H](F)C1 ZINC001157732410 1073166690 /nfs/dbraw/zinc/16/66/90/1073166690.db2.gz ZWFLHQFUVLKDLD-LXZJYRNTSA-N 0 3 436.528 -0.008 20 0 IBADHN CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1C[C@H](F)C[C@@H](CO)C1 ZINC001157732411 1073166588 /nfs/dbraw/zinc/16/65/88/1073166588.db2.gz ZWFLHQFUVLKDLD-XSYGEPLQSA-N 0 3 436.528 -0.008 20 0 IBADHN CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1CCC[C@@](O)(CF)CC1)C(=O)CF ZINC001157782349 1073166627 /nfs/dbraw/zinc/16/66/27/1073166627.db2.gz ZJVTWKDRNIDULR-CXIBIASBSA-N 0 3 448.511 -0.399 20 0 IBADHN CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1CCC[C@](O)(CF)CC1)C(=O)CF ZINC001157782350 1073166680 /nfs/dbraw/zinc/16/66/80/1073166680.db2.gz ZJVTWKDRNIDULR-FGTCXIJOSA-N 0 3 448.511 -0.399 20 0 IBADHN CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1CCCC(=O)[C@H](F)C1)C(=O)CF ZINC001157854810 1073167042 /nfs/dbraw/zinc/16/70/42/1073167042.db2.gz IGOREQACOBRUPX-LKQDWFRTSA-N 0 3 432.468 -0.583 20 0 IBADHN CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1CCCC(=O)[C@@H](F)C1)C(=O)CF ZINC001157854811 1073167028 /nfs/dbraw/zinc/16/70/28/1073167028.db2.gz IGOREQACOBRUPX-MRHIQRDNSA-N 0 3 432.468 -0.583 20 0 IBADHN CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1C[C@H](CO)CC[C@@H]1C)C(=O)CF ZINC001157856529 1073167111 /nfs/dbraw/zinc/16/71/11/1073167111.db2.gz VKPKZVDLUOISOA-GLRLOKQVSA-N 0 3 430.521 -0.493 20 0 IBADHN CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1C[C@H](CO)CC[C@H]1C)C(=O)CF ZINC001157856530 1073167096 /nfs/dbraw/zinc/16/70/96/1073167096.db2.gz VKPKZVDLUOISOA-JSEZXORMSA-N 0 3 430.521 -0.493 20 0 IBADHN CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1C[C@@H](CO)CC[C@@H]1C)C(=O)CF ZINC001157856531 1073167141 /nfs/dbraw/zinc/16/71/41/1073167141.db2.gz VKPKZVDLUOISOA-PQKJENKHSA-N 0 3 430.521 -0.493 20 0 IBADHN CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1C[C@@H](CO)CC[C@H]1C)C(=O)CF ZINC001157856532 1073167019 /nfs/dbraw/zinc/16/70/19/1073167019.db2.gz VKPKZVDLUOISOA-ZVZLPEGASA-N 0 3 430.521 -0.493 20 0 IBADHN CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1CCC[C@@](C)(CO)CC1)C(=O)CF ZINC001157899643 1073167537 /nfs/dbraw/zinc/16/75/37/1073167537.db2.gz AVNFKIDIIKRXCW-YAUSHBINSA-N 0 3 444.548 -0.101 20 0 IBADHN CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1CCC[C@](C)(CO)CC1)C(=O)CF ZINC001157899649 1073167532 /nfs/dbraw/zinc/16/75/32/1073167532.db2.gz AVNFKIDIIKRXCW-YYJDGNJWSA-N 0 3 444.548 -0.101 20 0 IBADHN CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1CC[C@@](C)(O)[C@@H](F)C1)C(=O)CF ZINC001157900858 1073167549 /nfs/dbraw/zinc/16/75/49/1073167549.db2.gz UADGETOISYCHOH-BXMCHHRESA-N 0 3 434.484 -0.791 20 0 IBADHN CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CC[C@@H](CO)[C@H](O)C1 ZINC001157902370 1073167589 /nfs/dbraw/zinc/16/75/89/1073167589.db2.gz ABAGUIUGQHAUDT-GNBUJSLZSA-N 0 3 434.537 -0.985 20 0 IBADHN CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CC[C@@H](CO)[C@@H](O)C1 ZINC001157902371 1073167523 /nfs/dbraw/zinc/16/75/23/1073167523.db2.gz ABAGUIUGQHAUDT-JPLJXNOCSA-N 0 3 434.537 -0.985 20 0 IBADHN CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CC[C@H](CO)[C@@H](O)C1 ZINC001157902372 1073167525 /nfs/dbraw/zinc/16/75/25/1073167525.db2.gz ABAGUIUGQHAUDT-LXZJYRNTSA-N 0 3 434.537 -0.985 20 0 IBADHN CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CC[C@H](CO)[C@H](O)C1 ZINC001157902373 1073167553 /nfs/dbraw/zinc/16/75/53/1073167553.db2.gz ABAGUIUGQHAUDT-RMJJICAUSA-N 0 3 434.537 -0.985 20 0 IBADHN COC[C@H]1CCCCN1C(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)C(C)C)C(=O)CF ZINC001157922076 1073168446 /nfs/dbraw/zinc/16/84/46/1073168446.db2.gz CZLKFJHVRIJACZ-KRXQYRFLSA-N 0 3 430.521 -0.085 20 0 IBADHN COC[C@@H]1CCCCN1C(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)C(C)C)C(=O)CF ZINC001157922077 1073168463 /nfs/dbraw/zinc/16/84/63/1073168463.db2.gz CZLKFJHVRIJACZ-XSWJXKHESA-N 0 3 430.521 -0.085 20 0 IBADHN CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1CC(C)(C)C[C@@]1(C)CO)C(=O)CF ZINC001157927630 1073168309 /nfs/dbraw/zinc/16/83/09/1073168309.db2.gz YYMMVLBLADNQTB-QIAYKDLGSA-N 0 3 444.548 -0.103 20 0 IBADHN CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1CC(C)(C)C[C@]1(C)CO)C(=O)CF ZINC001157927631 1073168349 /nfs/dbraw/zinc/16/83/49/1073168349.db2.gz YYMMVLBLADNQTB-WJCLWAKDSA-N 0 3 444.548 -0.103 20 0 IBADHN CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1CCC[C@@](F)(CO)CC1)C(=O)CF ZINC001157934511 1073168389 /nfs/dbraw/zinc/16/83/89/1073168389.db2.gz LHMBSOFBVQKTKG-CXIBIASBSA-N 0 3 448.511 -0.399 20 0 IBADHN CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1CCC[C@](F)(CO)CC1)C(=O)CF ZINC001157934512 1073168359 /nfs/dbraw/zinc/16/83/59/1073168359.db2.gz LHMBSOFBVQKTKG-FGTCXIJOSA-N 0 3 448.511 -0.399 20 0 IBADHN CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CC[C@@H](O)[C@H](CO)C1 ZINC001157937576 1073168400 /nfs/dbraw/zinc/16/84/00/1073168400.db2.gz WTJITOHIJSXSPJ-GNBUJSLZSA-N 0 3 434.537 -0.985 20 0 IBADHN CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CC[C@H](O)[C@H](CO)C1 ZINC001157937577 1073168482 /nfs/dbraw/zinc/16/84/82/1073168482.db2.gz WTJITOHIJSXSPJ-JPLJXNOCSA-N 0 3 434.537 -0.985 20 0 IBADHN CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CC[C@H](O)[C@@H](CO)C1 ZINC001157937578 1073168943 /nfs/dbraw/zinc/16/89/43/1073168943.db2.gz WTJITOHIJSXSPJ-LXZJYRNTSA-N 0 3 434.537 -0.985 20 0 IBADHN CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CC[C@@H](O)[C@@H](CO)C1 ZINC001157937579 1073168867 /nfs/dbraw/zinc/16/88/67/1073168867.db2.gz WTJITOHIJSXSPJ-RMJJICAUSA-N 0 3 434.537 -0.985 20 0 IBADHN CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CC[C@](C)(CO)[C@@H](O)C1 ZINC001157944248 1073168913 /nfs/dbraw/zinc/16/89/13/1073168913.db2.gz JAZKVVZSKMYUKS-BNUXRISVSA-N 0 3 448.564 -0.595 20 0 IBADHN CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CC[C@](C)(CO)[C@H](O)C1 ZINC001157944249 1073168845 /nfs/dbraw/zinc/16/88/45/1073168845.db2.gz JAZKVVZSKMYUKS-JGQIHZOTSA-N 0 3 448.564 -0.595 20 0 IBADHN CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CC[C@@](C)(CO)[C@@H](O)C1 ZINC001157944250 1073168884 /nfs/dbraw/zinc/16/88/84/1073168884.db2.gz JAZKVVZSKMYUKS-JPPTWICTSA-N 0 3 448.564 -0.595 20 0 IBADHN CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CC[C@@](C)(CO)[C@H](O)C1 ZINC001157944251 1073168899 /nfs/dbraw/zinc/16/88/99/1073168899.db2.gz JAZKVVZSKMYUKS-KQZHTCIUSA-N 0 3 448.564 -0.595 20 0 IBADHN CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)C(=O)N1CC[C@@H](O)[C@](C)(CO)C1 ZINC001157945230 1073168816 /nfs/dbraw/zinc/16/88/16/1073168816.db2.gz KYJNFYQOVLXCDJ-NKJJTKGUSA-N 0 3 426.558 -0.553 20 0 IBADHN CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)C(=O)N1CC[C@H](O)[C@](C)(CO)C1 ZINC001157945231 1073168953 /nfs/dbraw/zinc/16/89/53/1073168953.db2.gz KYJNFYQOVLXCDJ-QHXHSKPESA-N 0 3 426.558 -0.553 20 0 IBADHN CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)C(=O)N1CC[C@@H](O)[C@@](C)(CO)C1 ZINC001157945232 1073168927 /nfs/dbraw/zinc/16/89/27/1073168927.db2.gz KYJNFYQOVLXCDJ-VLJBJNFASA-N 0 3 426.558 -0.553 20 0 IBADHN CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)C(=O)N1CC[C@H](O)[C@@](C)(CO)C1 ZINC001157945233 1073168959 /nfs/dbraw/zinc/16/89/59/1073168959.db2.gz KYJNFYQOVLXCDJ-YJZCJGOMSA-N 0 3 426.558 -0.553 20 0 IBADHN CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CC[C@H](O)[C@@](C)(CO)C1 ZINC001157946998 1073168832 /nfs/dbraw/zinc/16/88/32/1073168832.db2.gz QHXFTJADJZNZED-BNUXRISVSA-N 0 3 448.564 -0.595 20 0 IBADHN CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CC[C@@H](O)[C@@](C)(CO)C1 ZINC001157947001 1073169328 /nfs/dbraw/zinc/16/93/28/1073169328.db2.gz QHXFTJADJZNZED-JGQIHZOTSA-N 0 3 448.564 -0.595 20 0 IBADHN CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CC[C@H](O)[C@](C)(CO)C1 ZINC001157947005 1073169403 /nfs/dbraw/zinc/16/94/03/1073169403.db2.gz QHXFTJADJZNZED-JPPTWICTSA-N 0 3 448.564 -0.595 20 0 IBADHN CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CC[C@@H](O)[C@](C)(CO)C1 ZINC001157947009 1073169267 /nfs/dbraw/zinc/16/92/67/1073169267.db2.gz QHXFTJADJZNZED-KQZHTCIUSA-N 0 3 448.564 -0.595 20 0 IBADHN Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCC(=O)NCCN1CCCCC1 ZINC001157971765 1073169380 /nfs/dbraw/zinc/16/93/80/1073169380.db2.gz TUPMPZYFTLNQLK-UHFFFAOYSA-N 0 3 441.554 -0.622 20 0 IBADHN Cc1nc(CCN(C)C(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)C(C)C)C(=O)CF)no1 ZINC001157982363 1073169259 /nfs/dbraw/zinc/16/92/59/1073169259.db2.gz BQULSIRRIQFQBZ-BNLOLNQZSA-N 0 3 442.492 -0.720 20 0 IBADHN CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N(C)[C@H]1CC[C@H](O)CC1)C(=O)CF ZINC001157996866 1073169296 /nfs/dbraw/zinc/16/92/96/1073169296.db2.gz HTRYECYEUKUPIC-PQKJENKHSA-N 0 3 430.521 -0.350 20 0 IBADHN CCOC(=O)[C@H]1CNCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N ZINC001158008127 1073169860 /nfs/dbraw/zinc/16/98/60/1073169860.db2.gz ZHNQAUFIUDXLLN-LUKYLMHMSA-N 0 3 439.557 -0.781 20 0 IBADHN CCOC(=O)[C@@H]1CNCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N ZINC001158008128 1073169814 /nfs/dbraw/zinc/16/98/14/1073169814.db2.gz ZHNQAUFIUDXLLN-QAETUUGQSA-N 0 3 439.557 -0.781 20 0 IBADHN CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)C(=O)N(C[C@@H](O)CO)C(C)(C)C ZINC001158016194 1073170380 /nfs/dbraw/zinc/17/03/80/1073170380.db2.gz UZDYMRJYDPABCM-YVSFHVDLSA-N 0 3 428.574 -0.164 20 0 IBADHN COC(=O)[C@@]12COC[C@@H]1CN(C(=O)[C@H](CCSC)NC(=O)[C@@H](N)CCSC)C2 ZINC001158235761 1073173328 /nfs/dbraw/zinc/17/33/28/1073173328.db2.gz PTJWDNUOBMDKAI-NUXNZHGMSA-N 0 3 433.596 -0.047 20 0 IBADHN CSCC[C@H](N)C(=O)N[C@@H](CCSC)C(=O)N1CCC2(CC1)COCC(=O)N2 ZINC001158325458 1073174207 /nfs/dbraw/zinc/17/42/07/1073174207.db2.gz ABANMXBBZMAOFX-KBPBESRZSA-N 0 3 432.612 -0.188 20 0 IBADHN CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N1C[C@H]2c3ccccc3CN[C@@H]2C1 ZINC001158334799 1073174163 /nfs/dbraw/zinc/17/41/63/1073174163.db2.gz HVZYPWVGLDPELX-PRRIXCOJSA-N 0 3 429.521 -0.382 20 0 IBADHN CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1CC[C@@H]2CCO[C@H]2C1)C(=O)CF ZINC001158339271 1073174241 /nfs/dbraw/zinc/17/42/41/1073174241.db2.gz NJVIQGHMYNRDTO-TWTQLAGVSA-N 0 3 428.505 -0.475 20 0 IBADHN Cc1cccc(CN2C(=O)COC3(CCN(C(=O)[C@@H]4COC5(CNC5)CN4)CC3)[C@@H]2C)n1 ZINC001158347557 1073174603 /nfs/dbraw/zinc/17/46/03/1073174603.db2.gz KYAUIKULIAOAAQ-HKUYNNGSSA-N 0 3 443.548 -0.171 20 0 IBADHN Cc1cccc(CN2C(=O)COC3(CCN(C(=O)[C@H]4COC5(CNC5)CN4)CC3)[C@H]2C)n1 ZINC001158347558 1073174561 /nfs/dbraw/zinc/17/45/61/1073174561.db2.gz KYAUIKULIAOAAQ-IEBWSBKVSA-N 0 3 443.548 -0.171 20 0 IBADHN Cc1cccc(CN2C(=O)COC3(CCN(C(=O)[C@@H]4COC5(CNC5)CN4)CC3)[C@H]2C)n1 ZINC001158347559 1073174628 /nfs/dbraw/zinc/17/46/28/1073174628.db2.gz KYAUIKULIAOAAQ-MJGOQNOKSA-N 0 3 443.548 -0.171 20 0 IBADHN Cc1cccc(CN2C(=O)COC3(CCN(C(=O)[C@H]4COC5(CNC5)CN4)CC3)[C@@H]2C)n1 ZINC001158347560 1073174593 /nfs/dbraw/zinc/17/45/93/1073174593.db2.gz KYAUIKULIAOAAQ-PKOBYXMFSA-N 0 3 443.548 -0.171 20 0 IBADHN C[C@](N)(CO)C(=O)N1CCC[C@]2(C(=O)N3CCOCC3)CN(c3ncccn3)C[C@@H]2C1 ZINC001158352976 1073175341 /nfs/dbraw/zinc/17/53/41/1073175341.db2.gz XZBGQPWKCIHBQZ-NDXORKPFSA-N 0 3 432.525 -0.910 20 0 IBADHN CO[C@@H](CN)C(=O)N1CCC[C@]2(C(=O)N3CCOCC3)CN(c3ncccn3)C[C@@H]2C1 ZINC001158353008 1073175350 /nfs/dbraw/zinc/17/53/50/1073175350.db2.gz YRIGUBPTPSJGJV-FIKGOQFSSA-N 0 3 432.525 -0.646 20 0 IBADHN CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCS(=O)(=O)CC1 ZINC001158367518 1073175632 /nfs/dbraw/zinc/17/56/32/1073175632.db2.gz ANIUFKMBGNPPDK-WMZOPIPTSA-N 0 3 438.550 -0.930 20 0 IBADHN NS(=O)(=O)c1cccc(N2C[C@H](C(=O)N3CC[C@H]4[C@H]3CCCN4CCO)CC2=O)c1 ZINC001158508613 1073177838 /nfs/dbraw/zinc/17/78/38/1073177838.db2.gz QEZPHYQQRXCXDR-FHLIZLRMSA-N 0 3 436.534 -0.256 20 0 IBADHN NS(=O)(=O)c1cccc(N2C[C@H](C(=O)N3CC[C@H]4[C@@H]3CCCN4CCO)CC2=O)c1 ZINC001158508615 1073177750 /nfs/dbraw/zinc/17/77/50/1073177750.db2.gz QEZPHYQQRXCXDR-JLSDUUJJSA-N 0 3 436.534 -0.256 20 0 IBADHN NS(=O)(=O)c1cccc(N2C[C@H](C(=O)N3CC[C@@H]4[C@@H]3CCCN4CCO)CC2=O)c1 ZINC001158508617 1073177879 /nfs/dbraw/zinc/17/78/79/1073177879.db2.gz QEZPHYQQRXCXDR-OLMNPRSZSA-N 0 3 436.534 -0.256 20 0 IBADHN NS(=O)(=O)c1cccc(N2C[C@H](C(=O)N3CC[C@@H]4[C@H]3CCCN4CCO)CC2=O)c1 ZINC001158508620 1073177908 /nfs/dbraw/zinc/17/79/08/1073177908.db2.gz QEZPHYQQRXCXDR-ZTFGCOKTSA-N 0 3 436.534 -0.256 20 0 IBADHN COCCN1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](N)C(C)C)CC1 ZINC001158604571 1073178422 /nfs/dbraw/zinc/17/84/22/1073178422.db2.gz PXKHMYXADJPGPY-FPOVZHCZSA-N 0 3 447.580 -0.396 20 0 IBADHN COCCN1CCN(C(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)N)CC1 ZINC001158605505 1073178816 /nfs/dbraw/zinc/17/88/16/1073178816.db2.gz YJJMBTRKWFLAOR-BZSNNMDCSA-N 0 3 425.574 -0.354 20 0 IBADHN C[C@H](N)C(=O)N[C@@H](C)C(=O)N1C[C@@H](c2ccccc2)[C@@]2(CCN(CC(=O)N(C)C)C2=O)C1 ZINC001158626115 1073178963 /nfs/dbraw/zinc/17/89/63/1073178963.db2.gz DVSUSUXNXXOMIK-YQNCCBLMSA-N 0 3 443.548 -0.229 20 0 IBADHN CN(C)C(=O)CN1CC[C@]2(CN(C(=O)[C@@H]3CNCCN3C)C[C@H]2c2ccccc2)C1=O ZINC001158626367 1073178897 /nfs/dbraw/zinc/17/88/97/1073178897.db2.gz LXZUPYOHERINQL-SFYKDHMMSA-N 0 3 427.549 -0.177 20 0 IBADHN CN(C)C(=O)CN1CC[C@]2(CN(C(=O)[C@H]3CNCCN3C)C[C@H]2c2ccccc2)C1=O ZINC001158626368 1073179007 /nfs/dbraw/zinc/17/90/07/1073179007.db2.gz LXZUPYOHERINQL-YCRNBWNJSA-N 0 3 427.549 -0.177 20 0 IBADHN CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1C[C@H](C)N(C)C[C@H]1C)C(=O)CF ZINC001158626593 1073179347 /nfs/dbraw/zinc/17/93/47/1073179347.db2.gz USLMZIXTMLSEMW-DTFBLWLJSA-N 0 3 429.537 -0.561 20 0 IBADHN C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N1CCCn2nnc(COCC(=O)N3CCCC3)c2C1 ZINC001158628981 1073179426 /nfs/dbraw/zinc/17/94/26/1073179426.db2.gz BAVOLXVCYPQETM-RDJZCZTQSA-N 0 3 447.540 -0.512 20 0 IBADHN C[S@@](=O)CC[C@H](N)C(=O)N1CCCn2nnc(COCC(=O)N3CCCC3)c2C1 ZINC001158629364 1073180016 /nfs/dbraw/zinc/18/00/16/1073180016.db2.gz GCCPWKYTSHWHPU-MLNJSSBLSA-N 0 3 426.543 -0.755 20 0 IBADHN C[S@](=O)CC[C@H](N)C(=O)N1CCCn2nnc(COCC(=O)N3CCCC3)c2C1 ZINC001158629369 1073179883 /nfs/dbraw/zinc/17/98/83/1073179883.db2.gz GCCPWKYTSHWHPU-MMEWPQADSA-N 0 3 426.543 -0.755 20 0 IBADHN CC(=O)NCCCC[C@H](N)C(=O)N1CCCn2nnc(COCC(=O)N3CCCC3)c2C1 ZINC001158629456 1073180007 /nfs/dbraw/zinc/18/00/07/1073180007.db2.gz HETYWQNUONFYRG-KRWDZBQOSA-N 0 3 449.556 -0.217 20 0 IBADHN O=C(COCc1nnn2c1CN(C(=O)[C@H]1CNCc3ccnn3C1)CCC2)N1CCCC1 ZINC001158630498 1073180494 /nfs/dbraw/zinc/18/04/94/1073180494.db2.gz RKWZLGRHHVTROJ-INIZCTEOSA-N 0 3 442.524 -0.235 20 0 IBADHN O=C(COCc1nnn2c1CN(C(=O)[C@@H]1CNCc3ccnn3C1)CCC2)N1CCCC1 ZINC001158630499 1073180463 /nfs/dbraw/zinc/18/04/63/1073180463.db2.gz RKWZLGRHHVTROJ-MRXNPFEDSA-N 0 3 442.524 -0.235 20 0 IBADHN CC[C@H](C)[C@H](N)C(=O)NCC(=O)N1CCCn2nnc(COCC(=O)N3CCCC3)c2C1 ZINC001158630511 1073180484 /nfs/dbraw/zinc/18/04/84/1073180484.db2.gz RYJJZYSDPYGDNZ-YWZLYKJASA-N 0 3 449.556 -0.361 20 0 IBADHN N[C@H]1CCCCN(CC(=O)N2CCCn3nnc(COCC(=O)N4CCCC4)c3C2)C1=O ZINC001158630517 1073180392 /nfs/dbraw/zinc/18/03/92/1073180392.db2.gz SGWNRHVSVGIMAF-INIZCTEOSA-N 0 3 447.540 -0.511 20 0 IBADHN Cn1cncc1C[C@H](N)C(=O)N1CCCn2nnc(COCC(=O)N3CCCC3)c2C1 ZINC001158630701 1073180445 /nfs/dbraw/zinc/18/04/45/1073180445.db2.gz VZUGDSIZAGCUNQ-INIZCTEOSA-N 0 3 430.513 -0.547 20 0 IBADHN CC(C)c1nccc([C@@H]2C[C@@H]3CCN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N)C[C@H]3O2)n1 ZINC001158645130 1073181021 /nfs/dbraw/zinc/18/10/21/1073181021.db2.gz CERLNHMMRCRIFI-XPYWIHLFSA-N 0 3 432.525 -0.014 20 0 IBADHN Cc1ccc(NC[C@@H]2CO[C@]3(C2)COCCN(C(=O)[C@@H](N)CC[S@@](C)=O)C3)nn1 ZINC001158645745 1073181075 /nfs/dbraw/zinc/18/10/75/1073181075.db2.gz HLALXBLFWLSKJH-MGBDUHSWSA-N 0 3 425.555 -0.073 20 0 IBADHN Cc1ccc(NC[C@@H]2CO[C@]3(C2)COCCN(C(=O)[C@@H](N)CC[S@](C)=O)C3)nn1 ZINC001158645746 1073181049 /nfs/dbraw/zinc/18/10/49/1073181049.db2.gz HLALXBLFWLSKJH-MMTINHDZSA-N 0 3 425.555 -0.073 20 0 IBADHN Cc1ccc(NC[C@@H]2CO[C@@]3(C2)COCCN(C(=O)[C@@H](N)CC[S@@](C)=O)C3)nn1 ZINC001158645747 1073180993 /nfs/dbraw/zinc/18/09/93/1073180993.db2.gz HLALXBLFWLSKJH-PFUOMBFISA-N 0 3 425.555 -0.073 20 0 IBADHN Cc1ccc(NC[C@@H]2CO[C@@]3(C2)COCCN(C(=O)[C@@H](N)CC[S@](C)=O)C3)nn1 ZINC001158645748 1073181053 /nfs/dbraw/zinc/18/10/53/1073181053.db2.gz HLALXBLFWLSKJH-QXTLTTITSA-N 0 3 425.555 -0.073 20 0 IBADHN Cc1ccc(NC[C@H]2CO[C@]3(C2)COCCN(C(=O)[C@@H](N)CCCNC(N)=O)C3)nn1 ZINC001158646047 1073181006 /nfs/dbraw/zinc/18/10/06/1073181006.db2.gz IREGSWNNXBXANT-FTRWYGJKSA-N 0 3 435.529 -0.393 20 0 IBADHN Cc1ccc(NC[C@@H]2CO[C@@]3(C2)COCCN(C(=O)[C@@H](N)CCCNC(N)=O)C3)nn1 ZINC001158646048 1073181034 /nfs/dbraw/zinc/18/10/34/1073181034.db2.gz IREGSWNNXBXANT-GQIGUUNPSA-N 0 3 435.529 -0.393 20 0 IBADHN Cc1ccc(NC[C@@H]2CO[C@]3(C2)COCCN(C(=O)[C@@H](N)CCCNC(N)=O)C3)nn1 ZINC001158646049 1073181084 /nfs/dbraw/zinc/18/10/84/1073181084.db2.gz IREGSWNNXBXANT-GUXCAODWSA-N 0 3 435.529 -0.393 20 0 IBADHN Cc1ccc(NC[C@@H]2CO[C@@]3(C2)COCCN(C(=O)[C@H](N)CCCNC(N)=O)C3)nn1 ZINC001158646050 1073181043 /nfs/dbraw/zinc/18/10/43/1073181043.db2.gz IREGSWNNXBXANT-JXXFODFXSA-N 0 3 435.529 -0.393 20 0 IBADHN Cc1ccc(NC[C@@H]2CO[C@]3(C2)COCCN(C(=O)[C@H](N)CCCNC(N)=O)C3)nn1 ZINC001158646051 1073181058 /nfs/dbraw/zinc/18/10/58/1073181058.db2.gz IREGSWNNXBXANT-QINHECLXSA-N 0 3 435.529 -0.393 20 0 IBADHN Cc1ccc(NC[C@H]2CO[C@@]3(C2)COCCN(C(=O)[C@H](N)CCCNC(N)=O)C3)nn1 ZINC001158646052 1073181064 /nfs/dbraw/zinc/18/10/64/1073181064.db2.gz IREGSWNNXBXANT-RZQQEMMASA-N 0 3 435.529 -0.393 20 0 IBADHN Cc1ccc(NC[C@H]2CO[C@@]3(C2)COCCN(C(=O)[C@@H](N)CCCNC(N)=O)C3)nn1 ZINC001158646053 1073181618 /nfs/dbraw/zinc/18/16/18/1073181618.db2.gz IREGSWNNXBXANT-TWOQFEAHSA-N 0 3 435.529 -0.393 20 0 IBADHN Cc1ccc(NC[C@H]2CO[C@]3(C2)COCCN(C(=O)[C@H](N)CCCNC(N)=O)C3)nn1 ZINC001158646054 1073181543 /nfs/dbraw/zinc/18/15/43/1073181543.db2.gz IREGSWNNXBXANT-YRNRMSPPSA-N 0 3 435.529 -0.393 20 0 IBADHN Cc1ccc(NC[C@@H]2CO[C@@]3(C2)COCCN(C(=O)[C@@H]2COC4(CNC4)CN2)C3)nn1 ZINC001158648159 1073181647 /nfs/dbraw/zinc/18/16/47/1073181647.db2.gz SFIKCDBINXLTHK-FUHIMQAGSA-N 0 3 432.525 -0.839 20 0 IBADHN Cc1ccc(NC[C@@H]2CO[C@]3(C2)COCCN(C(=O)[C@H]2COC4(CNC4)CN2)C3)nn1 ZINC001158648160 1073181580 /nfs/dbraw/zinc/18/15/80/1073181580.db2.gz SFIKCDBINXLTHK-HLIPFELVSA-N 0 3 432.525 -0.839 20 0 IBADHN Cc1ccc(NC[C@@H]2CO[C@@]3(C2)COCCN(C(=O)[C@H]2COC4(CNC4)CN2)C3)nn1 ZINC001158648161 1073181718 /nfs/dbraw/zinc/18/17/18/1073181718.db2.gz SFIKCDBINXLTHK-MBOZVWFJSA-N 0 3 432.525 -0.839 20 0 IBADHN Cc1ccc(NC[C@@H]2CO[C@]3(C2)COCCN(C(=O)[C@@H]2COC4(CNC4)CN2)C3)nn1 ZINC001158648162 1073181594 /nfs/dbraw/zinc/18/15/94/1073181594.db2.gz SFIKCDBINXLTHK-UWVAXJGDSA-N 0 3 432.525 -0.839 20 0 IBADHN C[C@H](N)C(=O)N1[C@H](C(=O)N(Cc2noc3c2CNCC3)c2ncccn2)COC1(C)C ZINC001158658010 1073182055 /nfs/dbraw/zinc/18/20/55/1073182055.db2.gz HEZNVWIYXCKURI-WFASDCNBSA-N 0 3 429.481 -0.046 20 0 IBADHN CC(C)(C)OC[C@H](N)C(=O)NCC(=O)N(Cc1noc2c1CNCC2)c1ncccn1 ZINC001158658110 1073182030 /nfs/dbraw/zinc/18/20/30/1073182030.db2.gz ILEISBLSWUVHCV-AWEZNQCLSA-N 0 3 431.497 -0.098 20 0 IBADHN O=C([C@H]1CCC2(CNC2)O1)N1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC001158680769 1073183019 /nfs/dbraw/zinc/18/30/19/1073183019.db2.gz FOVJBCCDPAZPDE-ARFHVFGLSA-N 0 3 449.533 -0.943 20 0 IBADHN O=C([C@@H]1CCC2(CNC2)O1)N1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC001158680770 1073183003 /nfs/dbraw/zinc/18/30/03/1073183003.db2.gz FOVJBCCDPAZPDE-HRCADAONSA-N 0 3 449.533 -0.943 20 0 IBADHN C[C@H](N)C(=O)N[C@H](CCC(=O)N1CCO[C@H]2[C@H](OCc3ccncc3)CC[C@@H]21)C(N)=O ZINC001158681148 1073183032 /nfs/dbraw/zinc/18/30/32/1073183032.db2.gz MEPFPHPDQPSYTK-LNSZTPPCSA-N 0 3 433.509 -0.546 20 0 IBADHN O=C([C@@H]1C[C@@H](F)CCN1)N1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC001158681469 1073183053 /nfs/dbraw/zinc/18/30/53/1073183053.db2.gz NZFODUSTLCNPGF-YHUYYLMFSA-N 0 3 439.513 -0.374 20 0 IBADHN NCc1ccc(C(=O)N2C[C@@H]3c4nc(N5CCOCC5)ncc4CS(=O)(=O)[C@@H]3C2)cn1 ZINC001158692897 1073183900 /nfs/dbraw/zinc/18/39/00/1073183900.db2.gz JPAPNZFNBHYXBY-DLBZAZTESA-N 0 3 444.517 -0.297 20 0 IBADHN O=C(c1[nH]nc2c1CNC2)N1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC001158693959 1073183852 /nfs/dbraw/zinc/18/38/52/1073183852.db2.gz QDSQBUHWZHVWDS-DZGCQCFKSA-N 0 3 445.505 -0.824 20 0 IBADHN O=C([C@H]1CCNC[C@H]1F)N1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC001158694608 1073183875 /nfs/dbraw/zinc/18/38/75/1073183875.db2.gz UMRVBTXDVIVEGF-CAOSSQGBSA-N 0 3 439.513 -0.516 20 0 IBADHN O=C([C@@H]1CCNC[C@@H]1F)N1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC001158694610 1073183866 /nfs/dbraw/zinc/18/38/66/1073183866.db2.gz UMRVBTXDVIVEGF-FXUDXRNXSA-N 0 3 439.513 -0.516 20 0 IBADHN O=C([C@@H]1CCNC[C@H]1F)N1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC001158694611 1073183825 /nfs/dbraw/zinc/18/38/25/1073183825.db2.gz UMRVBTXDVIVEGF-QKPAOTATSA-N 0 3 439.513 -0.516 20 0 IBADHN O=C([C@H]1CCNC[C@@H]1F)N1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC001158694614 1073183820 /nfs/dbraw/zinc/18/38/20/1073183820.db2.gz UMRVBTXDVIVEGF-YHUYYLMFSA-N 0 3 439.513 -0.516 20 0 IBADHN N[C@@H](CCCNC(=O)c1cnccn1)C(=O)N1C[C@@H](N2CCCC2=O)[C@H]2OCCC[C@H]2C1 ZINC001158694850 1073183922 /nfs/dbraw/zinc/18/39/22/1073183922.db2.gz WYXDOONXJQYXKD-YTXYEVPYSA-N 0 3 444.536 -0.058 20 0 IBADHN NC(=O)NCCC[C@@H](N)C(=O)N1CC[C@@]2(CC(C(=O)NCc3ccc(F)cc3)=NO2)C1 ZINC001158708493 1073184303 /nfs/dbraw/zinc/18/43/03/1073184303.db2.gz UXGDVJMQKYYSKC-FOIQADDNSA-N 0 3 434.472 -0.035 20 0 IBADHN NC(=O)NCCC[C@H](N)C(=O)N1CC[C@@]2(CC(C(=O)NCc3ccc(F)cc3)=NO2)C1 ZINC001158708494 1073184195 /nfs/dbraw/zinc/18/41/95/1073184195.db2.gz UXGDVJMQKYYSKC-MGPUTAFESA-N 0 3 434.472 -0.035 20 0 IBADHN NC(=O)NCCC[C@@H](N)C(=O)N1CC[C@]2(CC(C(=O)NCc3ccc(F)cc3)=NO2)C1 ZINC001158708495 1073184213 /nfs/dbraw/zinc/18/42/13/1073184213.db2.gz UXGDVJMQKYYSKC-QRWLVFNGSA-N 0 3 434.472 -0.035 20 0 IBADHN NC(=O)NCCC[C@H](N)C(=O)N1CC[C@]2(CC(C(=O)NCc3ccc(F)cc3)=NO2)C1 ZINC001158708496 1073184314 /nfs/dbraw/zinc/18/43/14/1073184314.db2.gz UXGDVJMQKYYSKC-YWZLYKJASA-N 0 3 434.472 -0.035 20 0 IBADHN O=C(NCc1ccc(F)cc1)C1=NO[C@]2(CCN(C(=O)[C@@H]3COC4(CNC4)CN3)C2)C1 ZINC001158708517 1073184070 /nfs/dbraw/zinc/18/40/70/1073184070.db2.gz VVUDYKKJIPCMRR-FXAWDEMLSA-N 0 3 431.468 -0.480 20 0 IBADHN O=C(NCc1ccc(F)cc1)C1=NO[C@@]2(CCN(C(=O)[C@@H]3COC4(CNC4)CN3)C2)C1 ZINC001158708518 1073184338 /nfs/dbraw/zinc/18/43/38/1073184338.db2.gz VVUDYKKJIPCMRR-PXNSSMCTSA-N 0 3 431.468 -0.480 20 0 IBADHN O=C(NCc1ccc(F)cc1)C1=NO[C@@]2(CCN(C(=O)[C@H]3COC4(CNC4)CN3)C2)C1 ZINC001158708519 1073184272 /nfs/dbraw/zinc/18/42/72/1073184272.db2.gz VVUDYKKJIPCMRR-XLIONFOSSA-N 0 3 431.468 -0.480 20 0 IBADHN O=C(NCc1ccc(F)cc1)C1=NO[C@]2(CCN(C(=O)[C@H]3COC4(CNC4)CN3)C2)C1 ZINC001158708520 1073184241 /nfs/dbraw/zinc/18/42/41/1073184241.db2.gz VVUDYKKJIPCMRR-YLJYHZDGSA-N 0 3 431.468 -0.480 20 0 IBADHN O=C(CC1CC1)N[C@@H]1CN(C(=O)[C@@H]2CCS(=O)(=O)C23CNC3)C[C@@H]2CCCO[C@H]12 ZINC001158714766 1073184772 /nfs/dbraw/zinc/18/47/72/1073184772.db2.gz CDEIIDFXBYDXIB-CUSZFKRNSA-N 0 3 425.551 -0.315 20 0 IBADHN O=C(CC1CC1)N[C@@H]1CN(C(=O)[C@H]2CCS(=O)(=O)C23CNC3)C[C@@H]2CCCO[C@H]12 ZINC001158714767 1073184822 /nfs/dbraw/zinc/18/48/22/1073184822.db2.gz CDEIIDFXBYDXIB-LHHMISFZSA-N 0 3 425.551 -0.315 20 0 IBADHN C[C@H](N)C(=O)N[C@H](CCC(=O)N1C[C@@H](NC(=O)CC2CC2)[C@H]2OCCC[C@H]2C1)C(N)=O ZINC001158715567 1073184756 /nfs/dbraw/zinc/18/47/56/1073184756.db2.gz MGHLCRXLRBXMQI-KYOQYZHTSA-N 0 3 437.541 -0.994 20 0 IBADHN CS(=O)(=O)N(Cc1noc2c1CNCC2)C(=O)CNC(=O)[C@@H](N)Cc1ccccc1 ZINC001158734492 1073184740 /nfs/dbraw/zinc/18/47/40/1073184740.db2.gz ADWSVUOMMPTIRA-HNNXBMFYSA-N 0 3 435.506 -0.705 20 0 IBADHN CS(=O)(=O)N(Cc1noc2c1CNCC2)C(=O)[C@H](Cc1ccccc1)NC(=O)CN ZINC001158735104 1073185346 /nfs/dbraw/zinc/18/53/46/1073185346.db2.gz NKIRHLRJRFHNCJ-HNNXBMFYSA-N 0 3 435.506 -0.705 20 0 IBADHN C[C@H](N)C(=O)N[C@H](CCC(=O)N1CCCn2nnc(COc3cccnc3)c2C1)C(N)=O ZINC001158739281 1073185188 /nfs/dbraw/zinc/18/51/88/1073185188.db2.gz UNNFZKGTBJRKHI-DZGCQCFKSA-N 0 3 444.496 -0.918 20 0 IBADHN O=C([C@@H]1CCS(=O)(=O)C12CNC2)N1CCCn2nnc(COc3cccnc3)c2C1 ZINC001158739714 1073185384 /nfs/dbraw/zinc/18/53/84/1073185384.db2.gz ZQXHCMNIXAXUDA-HNNXBMFYSA-N 0 3 432.506 -0.239 20 0 IBADHN O=C([C@H]1CCS(=O)(=O)C12CNC2)N1CCCn2nnc(COc3cccnc3)c2C1 ZINC001158739717 1073185711 /nfs/dbraw/zinc/18/57/11/1073185711.db2.gz ZQXHCMNIXAXUDA-OAHLLOKOSA-N 0 3 432.506 -0.239 20 0 IBADHN C[C@H](N)C(=O)N1[C@H](C(=O)N2CCc3onc(COCC(=O)N(C)C)c3C2)COC1(C)C ZINC001158747453 1073185733 /nfs/dbraw/zinc/18/57/33/1073185733.db2.gz BPHZIBPJEUGRIQ-WFASDCNBSA-N 0 3 437.497 -0.525 20 0 IBADHN C[C@H](N)C(=O)N1[C@H](C(=O)N2C[C@@H]3COC[C@H](C(=O)N4CCCCO4)[C@@H]3C2)COC1(C)C ZINC001158748150 1073185776 /nfs/dbraw/zinc/18/57/76/1073185776.db2.gz PVLXVVQPUHWEQL-BIVLZKPYSA-N 0 3 438.525 -0.428 20 0 IBADHN O=C([C@H]1CCS(=O)(=O)C12CNC2)N1C[C@@H]2COC[C@H](C(=O)N3CCCCO3)[C@@H]2C1 ZINC001158748215 1073185787 /nfs/dbraw/zinc/18/57/87/1073185787.db2.gz RTESBIPTFANHOO-LVQVYYBASA-N 0 3 427.523 -0.962 20 0 IBADHN O=C([C@@H]1CCS(=O)(=O)C12CNC2)N1C[C@@H]2COC[C@H](C(=O)N3CCCCO3)[C@@H]2C1 ZINC001158748216 1073186135 /nfs/dbraw/zinc/18/61/35/1073186135.db2.gz RTESBIPTFANHOO-WCVJEAGWSA-N 0 3 427.523 -0.962 20 0 IBADHN CCN(CC)C(=O)c1nc2c(s1)CCN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N)CC2 ZINC001158791381 1073187167 /nfs/dbraw/zinc/18/71/67/1073187167.db2.gz WQODTKFKCPFWDF-AAEUAGOBSA-N 0 3 438.554 -0.740 20 0 IBADHN CCOC[C@@H]1CN(C(=O)CC[C@@H](NC(=O)[C@H](C)N)C(N)=O)Cc2nn(CC3CC3)cc21 ZINC001158800895 1073187203 /nfs/dbraw/zinc/18/72/03/1073187203.db2.gz YMNBYKZWBHTCCS-JLJPHGGASA-N 0 3 434.541 -0.147 20 0 IBADHN CCOC[C@H]1CN(C(=O)CC[C@@H](NC(=O)[C@H](C)N)C(N)=O)Cc2nn(CC3CC3)cc21 ZINC001158800896 1073187099 /nfs/dbraw/zinc/18/70/99/1073187099.db2.gz YMNBYKZWBHTCCS-YSVLISHTSA-N 0 3 434.541 -0.147 20 0 IBADHN CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1C[C@@H]2[C@H](C1)OCCN2C ZINC001158804910 1073187037 /nfs/dbraw/zinc/18/70/37/1073187037.db2.gz WQPUJGIOXRXEOY-JTJHWIPRSA-N 0 3 445.564 -0.645 20 0 IBADHN N[C@@H](CCCNC(=O)c1cnccn1)C(=O)N1C[C@@H](C(=O)N2CCCC2)C[C@H]2OCC[C@H]21 ZINC001158810240 1073187151 /nfs/dbraw/zinc/18/71/51/1073187151.db2.gz DJKIYVFDQNLZIM-RNIPGJKVSA-N 0 3 444.536 -0.058 20 0 IBADHN CNC(=O)CO[C@H]1COC2(C1)CCN(C(=O)[C@@H](N)CCCNC(=O)c1cnccn1)CC2 ZINC001158810554 1073187191 /nfs/dbraw/zinc/18/71/91/1073187191.db2.gz HDPRAWHRQIKGAW-CVEARBPZSA-N 0 3 448.524 -0.773 20 0 IBADHN CNC(=O)CO[C@@H]1COC2(C1)CCN(C(=O)[C@@H](N)CCCNC(=O)c1cnccn1)CC2 ZINC001158810555 1073187139 /nfs/dbraw/zinc/18/71/39/1073187139.db2.gz HDPRAWHRQIKGAW-HOTGVXAUSA-N 0 3 448.524 -0.773 20 0 IBADHN C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N1C[C@H]2OCC[C@H]2[C@H](C(=O)NCc2cccnc2)C1 ZINC001158813688 1073187642 /nfs/dbraw/zinc/18/76/42/1073187642.db2.gz FFFYUIHKZWQGAE-BHNDVYRESA-N 0 3 429.521 -0.101 20 0 IBADHN CNC(=O)CO[C@@H]1COC2(C1)CCN(C(=O)[C@@H]1COC(C)(C)N1C(=O)[C@H](C)N)CC2 ZINC001158813859 1073187588 /nfs/dbraw/zinc/18/75/88/1073187588.db2.gz HJFXJWXESAFHKN-KKUMJFAQSA-N 0 3 426.514 -0.790 20 0 IBADHN CNC(=O)CO[C@H]1COC2(C1)CCN(C(=O)[C@@H]1COC(C)(C)N1C(=O)[C@H](C)N)CC2 ZINC001158813860 1073187710 /nfs/dbraw/zinc/18/77/10/1073187710.db2.gz HJFXJWXESAFHKN-ZNMIVQPWSA-N 0 3 426.514 -0.790 20 0 IBADHN O=C(NCc1cccnc1)[C@@H]1CN(C(=O)[C@H]2CCS(=O)(=O)C23CNC3)C[C@H]2OCC[C@H]21 ZINC001158814145 1073187619 /nfs/dbraw/zinc/18/76/19/1073187619.db2.gz MSOUSRQVOQKFMF-BSDSXHPESA-N 0 3 448.545 -0.662 20 0 IBADHN O=C(NCc1cccnc1)[C@@H]1CN(C(=O)[C@@H]2CCS(=O)(=O)C23CNC3)C[C@H]2OCC[C@H]21 ZINC001158814146 1073187633 /nfs/dbraw/zinc/18/76/33/1073187633.db2.gz MSOUSRQVOQKFMF-XWTMOSNGSA-N 0 3 448.545 -0.662 20 0 IBADHN N[C@H]1CCCCN(CC(=O)N2C[C@H]3OCC[C@H]3[C@H](C(=O)NCc3cccnc3)C2)C1=O ZINC001158814757 1073187746 /nfs/dbraw/zinc/18/77/46/1073187746.db2.gz PBVHEVBUHMERKV-ZSYWTGECSA-N 0 3 429.521 -0.099 20 0 IBADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1Cc2c(cnn2C)[C@H](COc2cccnc2)C1 ZINC001158855029 1073188770 /nfs/dbraw/zinc/18/87/70/1073188770.db2.gz ATNHTGMXVANHLM-XEZPLFJOSA-N 0 3 429.481 -0.973 20 0 IBADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1Cc2c(cnn2C)[C@@H](COc2cccnc2)C1 ZINC001158855030 1073188865 /nfs/dbraw/zinc/18/88/65/1073188865.db2.gz ATNHTGMXVANHLM-ZENOOKHLSA-N 0 3 429.481 -0.973 20 0 IBADHN CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1CC[C@H]2O[C@@H](C)C[C@H]2C1)C(=O)CF ZINC001158863603 1073188680 /nfs/dbraw/zinc/18/86/80/1073188680.db2.gz QUOVBNVVKXMJQE-KDWNQABDSA-N 0 3 442.532 -0.086 20 0 IBADHN O=C([C@@H]1CCS(=O)(=O)C12CNC2)N1CCc2nnc(COc3ccccn3)n2CC1 ZINC001158871683 1073189209 /nfs/dbraw/zinc/18/92/09/1073189209.db2.gz TXEPVBORFWSNRM-AWEZNQCLSA-N 0 3 432.506 -0.587 20 0 IBADHN O=C([C@H]1CCS(=O)(=O)C12CNC2)N1CCc2nnc(COc3ccccn3)n2CC1 ZINC001158871684 1073189276 /nfs/dbraw/zinc/18/92/76/1073189276.db2.gz TXEPVBORFWSNRM-CQSZACIVSA-N 0 3 432.506 -0.587 20 0 IBADHN C[C@H](N)C(=O)N1[C@H](C(=O)N2CCc3nnc(COc4ccccn4)n3CC2)COC1(C)C ZINC001158872120 1073189302 /nfs/dbraw/zinc/18/93/02/1073189302.db2.gz ZLGDHGWBFFTPLS-GJZGRUSLSA-N 0 3 443.508 -0.053 20 0 IBADHN C[C@@H]1N(c2cnn(C)c2)C(=O)COC12CCN(C(=O)CN1CCCC[C@H](N)C1=O)CC2 ZINC001158883433 1073189635 /nfs/dbraw/zinc/18/96/35/1073189635.db2.gz GTJKMRUTQJPINX-RDJZCZTQSA-N 0 3 432.525 -0.127 20 0 IBADHN C[C@H]1N(c2cnn(C)c2)C(=O)COC12CCN(C(=O)CN1CCCC[C@H](N)C1=O)CC2 ZINC001158883437 1073189590 /nfs/dbraw/zinc/18/95/90/1073189590.db2.gz GTJKMRUTQJPINX-WBVHZDCISA-N 0 3 432.525 -0.127 20 0 IBADHN C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N1CCC2(CC1)OCC(=O)N(c1cnn(C)c1)[C@@H]2C ZINC001158884147 1073189688 /nfs/dbraw/zinc/18/96/88/1073189688.db2.gz LKXSFNOPFBGUGV-UXLLHSPISA-N 0 3 432.525 -0.129 20 0 IBADHN C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N1CCC2(CC1)OCC(=O)N(c1cnn(C)c1)[C@H]2C ZINC001158884149 1073189712 /nfs/dbraw/zinc/18/97/12/1073189712.db2.gz LKXSFNOPFBGUGV-ZOBUZTSGSA-N 0 3 432.525 -0.129 20 0 IBADHN C[C@H](N)C(=O)N[C@H](CCC(=O)N1C[C@H](C(=O)Nc2cccnc2)C[C@H]2OCC[C@H]21)C(N)=O ZINC001158899085 1073190135 /nfs/dbraw/zinc/19/01/35/1073190135.db2.gz QDAFXYNGRVYPLP-IHWGESPNSA-N 0 3 446.508 -0.876 20 0 IBADHN O=C(Nc1cccnc1)[C@@H]1C[C@H]2OCC[C@H]2N(C(=O)[C@H]2CCS(=O)(=O)C23CNC3)C1 ZINC001158904539 1073190709 /nfs/dbraw/zinc/19/07/09/1073190709.db2.gz UIXHZGDCCQFLGJ-MWQQHZPXSA-N 0 3 434.518 -0.197 20 0 IBADHN O=C(Nc1cccnc1)[C@@H]1C[C@H]2OCC[C@H]2N(C(=O)[C@@H]2CCS(=O)(=O)C23CNC3)C1 ZINC001158904542 1073190641 /nfs/dbraw/zinc/19/06/41/1073190641.db2.gz UIXHZGDCCQFLGJ-XLNGHYISSA-N 0 3 434.518 -0.197 20 0 IBADHN C[C@H](N)C(=O)N[C@H](CCC(=O)N1CC[C@@]2(CCN(Cc3cccc(F)c3)C2=O)C1)C(N)=O ZINC001158924861 1073190702 /nfs/dbraw/zinc/19/07/02/1073190702.db2.gz ATLPORORWQRPAU-ORHBMQHOSA-N 0 3 447.511 -0.126 20 0 IBADHN C[C@H](N)C(=O)N[C@H](CCC(=O)N1CC[C@]2(CCN(Cc3cccc(F)c3)C2=O)C1)C(N)=O ZINC001158924862 1073190578 /nfs/dbraw/zinc/19/05/78/1073190578.db2.gz ATLPORORWQRPAU-WTBBCNCBSA-N 0 3 447.511 -0.126 20 0 IBADHN O=C([C@H]1CCS(=O)(=O)C12CNC2)N1C[C@@H]2COC[C@H](C(=O)N3CCC(F)CC3)[C@@H]2C1 ZINC001158925018 1073190571 /nfs/dbraw/zinc/19/05/71/1073190571.db2.gz DXRFQHWSOPIKST-MXASKKJJSA-N 0 3 443.541 -0.555 20 0 IBADHN O=C([C@@H]1CCS(=O)(=O)C12CNC2)N1C[C@@H]2COC[C@H](C(=O)N3CCC(F)CC3)[C@@H]2C1 ZINC001158925019 1073190623 /nfs/dbraw/zinc/19/06/23/1073190623.db2.gz DXRFQHWSOPIKST-SIXLDLHFSA-N 0 3 443.541 -0.555 20 0 IBADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CC[C@@]2(CCN(Cc3cccc(F)c3)C2=O)C1 ZINC001158925454 1073190662 /nfs/dbraw/zinc/19/06/62/1073190662.db2.gz JPVGAZBYVZCFCK-PCMMCCAGSA-N 0 3 433.484 -0.516 20 0 IBADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CC[C@]2(CCN(Cc3cccc(F)c3)C2=O)C1 ZINC001158925455 1073190668 /nfs/dbraw/zinc/19/06/68/1073190668.db2.gz JPVGAZBYVZCFCK-UYTHQXMGSA-N 0 3 433.484 -0.516 20 0 IBADHN N[C@@H](CCCNC(=O)c1cnccn1)C(=O)N1C[C@@H]2[C@H](C1)OCCN2c1ncccn1 ZINC001158968657 1073193273 /nfs/dbraw/zinc/19/32/73/1073193273.db2.gz VUZDHWVRAMLHCH-UAGQMJEPSA-N 0 3 426.481 -0.780 20 0 IBADHN Cc1cnc(-n2c3c(ncn3COCCOC(=O)[C@@H](N)C(C)C)c(=O)nc2N)c(CN)c1 ZINC001158981843 1073194069 /nfs/dbraw/zinc/19/40/69/1073194069.db2.gz KZSYUZCTSCTEGB-AWEZNQCLSA-N 0 3 444.496 -0.173 20 0 IBADHN NC(=O)NCCC[C@@H](N)C(=O)N1CC[C@H]2C[C@H](C(=O)NCCc3ccccn3)O[C@H]2C1 ZINC001158982964 1073194603 /nfs/dbraw/zinc/19/46/03/1073194603.db2.gz OIHLYKALHPISFD-HPBDAGMYSA-N 0 3 432.525 -0.478 20 0 IBADHN NC(=O)NCCC[C@H](N)C(=O)N1CC[C@H]2C[C@H](C(=O)NCCc3ccccn3)O[C@H]2C1 ZINC001158982965 1073194594 /nfs/dbraw/zinc/19/45/94/1073194594.db2.gz OIHLYKALHPISFD-OWLYRPNTSA-N 0 3 432.525 -0.478 20 0 IBADHN O=C(NCCc1ccccn1)[C@H]1C[C@@H]2CCN(C(=O)[C@H]3COC4(CNC4)CN3)C[C@@H]2O1 ZINC001158983471 1073194623 /nfs/dbraw/zinc/19/46/23/1073194623.db2.gz WDWHJMVMKABVTE-AITUJVMLSA-N 0 3 429.521 -0.923 20 0 IBADHN O=C(NCCc1ccccn1)[C@H]1C[C@@H]2CCN(C(=O)[C@@H]3COC4(CNC4)CN3)C[C@@H]2O1 ZINC001158983473 1073194690 /nfs/dbraw/zinc/19/46/90/1073194690.db2.gz WDWHJMVMKABVTE-KANFNMMFSA-N 0 3 429.521 -0.923 20 0 IBADHN COCCNC(=O)[C@H]1Cn2nccc2CN(C(=O)[C@@H](N)C2CCC3(CC2)OCCO3)C1 ZINC001158990249 1073194574 /nfs/dbraw/zinc/19/45/74/1073194574.db2.gz BMYBELFJAXVJTR-AEFFLSMTSA-N 0 3 435.525 -0.135 20 0 IBADHN COCCNC(=O)[C@@H]1Cn2nccc2CN(C(=O)[C@H](N)C2CCC3(CC2)OCCO3)C1 ZINC001158990250 1073194561 /nfs/dbraw/zinc/19/45/61/1073194561.db2.gz BMYBELFJAXVJTR-FUHWJXTLSA-N 0 3 435.525 -0.135 20 0 IBADHN COCCNC(=O)[C@H]1Cn2nccc2CN(C(=O)[C@H](N)C2CCC3(CC2)OCCO3)C1 ZINC001158990251 1073195073 /nfs/dbraw/zinc/19/50/73/1073195073.db2.gz BMYBELFJAXVJTR-SJLPKXTDSA-N 0 3 435.525 -0.135 20 0 IBADHN COCCNC(=O)[C@@H]1Cn2nccc2CN(C(=O)[C@@H](N)C2CCC3(CC2)OCCO3)C1 ZINC001158990252 1073195025 /nfs/dbraw/zinc/19/50/25/1073195025.db2.gz BMYBELFJAXVJTR-WMZOPIPTSA-N 0 3 435.525 -0.135 20 0 IBADHN CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NC[C@@H]2CCCCN2CCO)c1 ZINC001158994253 1073195621 /nfs/dbraw/zinc/19/56/21/1073195621.db2.gz GGJRHCGZHBKAFY-INIZCTEOSA-N 0 3 428.555 -0.158 20 0 IBADHN CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NC[C@H]2CCCCN2CCO)c1 ZINC001158994254 1073195440 /nfs/dbraw/zinc/19/54/40/1073195440.db2.gz GGJRHCGZHBKAFY-MRXNPFEDSA-N 0 3 428.555 -0.158 20 0 IBADHN CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)NC[C@@H]2CCCCN2CCO)s1 ZINC001158994943 1073195634 /nfs/dbraw/zinc/19/56/34/1073195634.db2.gz NFIQKQJEDAZZQO-AWEZNQCLSA-N 0 3 432.568 -0.375 20 0 IBADHN CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)NC[C@H]2CCCCN2CCO)s1 ZINC001158994944 1073195404 /nfs/dbraw/zinc/19/54/04/1073195404.db2.gz NFIQKQJEDAZZQO-CQSZACIVSA-N 0 3 432.568 -0.375 20 0 IBADHN CC(C)OCc1nn(CC2CC2)c2c1CN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N)CC2 ZINC001159005995 1073195493 /nfs/dbraw/zinc/19/54/93/1073195493.db2.gz JTNAMZPKYDYLDO-BBRMVZONSA-N 0 3 434.541 -0.190 20 0 IBADHN C[C@H](N)C(=O)N[C@H](CCC(=O)N1CCC2(CCN(Cc3ccccn3)C2=O)CC1)C(N)=O ZINC001159031532 1073195609 /nfs/dbraw/zinc/19/56/09/1073195609.db2.gz YHCRODDVXNXOSF-DOTOQJQBSA-N 0 3 444.536 -0.480 20 0 IBADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC2(CCN(Cc3ccccn3)C2=O)CC1 ZINC001159031540 1073195547 /nfs/dbraw/zinc/19/55/47/1073195547.db2.gz YLPRRIDVGVUPQN-HOCLYGCPSA-N 0 3 430.509 -0.870 20 0 IBADHN Cn1nnc2c1[C@@H](COCc1cccnc1)CN(C(=O)[C@@H]1CCS(=O)(=O)C13CNC3)C2 ZINC001159035515 1073195588 /nfs/dbraw/zinc/19/55/88/1073195588.db2.gz AOIAGCATCVGAIP-CVEARBPZSA-N 0 3 446.533 -0.371 20 0 IBADHN Cn1nnc2c1[C@H](COCc1cccnc1)CN(C(=O)[C@@H]1CCS(=O)(=O)C13CNC3)C2 ZINC001159035516 1073195378 /nfs/dbraw/zinc/19/53/78/1073195378.db2.gz AOIAGCATCVGAIP-HOTGVXAUSA-N 0 3 446.533 -0.371 20 0 IBADHN Cn1nnc2c1[C@@H](COCc1cccnc1)CN(C(=O)[C@H]1CCS(=O)(=O)C13CNC3)C2 ZINC001159035517 1073195529 /nfs/dbraw/zinc/19/55/29/1073195529.db2.gz AOIAGCATCVGAIP-HZPDHXFCSA-N 0 3 446.533 -0.371 20 0 IBADHN Cn1nnc2c1[C@H](COCc1cccnc1)CN(C(=O)[C@H]1CCS(=O)(=O)C13CNC3)C2 ZINC001159035518 1073195578 /nfs/dbraw/zinc/19/55/78/1073195578.db2.gz AOIAGCATCVGAIP-JKSUJKDBSA-N 0 3 446.533 -0.371 20 0 IBADHN CN(C)C(=O)[C@@H]1CCO[C@@H]2CCN(C(=O)[C@@H](N)CCCNC(=O)c3cnccn3)C[C@@H]21 ZINC001159046745 1073195998 /nfs/dbraw/zinc/19/59/98/1073195998.db2.gz JTKNRSMMNLSOLV-XLMAVXFVSA-N 0 3 432.525 -0.344 20 0 IBADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC2(CC1)CN(c1ccccc1)C(=O)CO2 ZINC001159057462 1073196543 /nfs/dbraw/zinc/19/65/43/1073196543.db2.gz FSUVXSFAFAWRAF-HOCLYGCPSA-N 0 3 431.493 -0.882 20 0 IBADHN C[C@H](N)C(=O)N[C@H](CCC(=O)N1CCC2(CC1)CN(c1ccccc1)C(=O)CO2)C(N)=O ZINC001159057856 1073196481 /nfs/dbraw/zinc/19/64/81/1073196481.db2.gz NJDQZYJONRSCNW-DOTOQJQBSA-N 0 3 445.520 -0.492 20 0 IBADHN CC(C)C[C@H](N)C(=O)NCC(=O)N1CCc2c(C(=O)N3CCN(C)CC3)nn(C)c2C1 ZINC001159073736 1073196533 /nfs/dbraw/zinc/19/65/33/1073196533.db2.gz BXORXICAVZQJBR-INIZCTEOSA-N 0 3 433.557 -0.818 20 0 IBADHN Cn1nc(C(=O)N2CCN(C)CC2)c2c1CN(C(=O)[C@H]1CNCc3ccnn3C1)CC2 ZINC001159073790 1073196518 /nfs/dbraw/zinc/19/65/18/1073196518.db2.gz DXPJKWZZRJTABA-HNNXBMFYSA-N 0 3 426.525 -0.692 20 0 IBADHN Cn1nc(C(=O)N2CCN(C)CC2)c2c1CN(C(=O)[C@@H]1CNCc3ccnn3C1)CC2 ZINC001159073791 1073196347 /nfs/dbraw/zinc/19/63/47/1073196347.db2.gz DXPJKWZZRJTABA-OAHLLOKOSA-N 0 3 426.525 -0.692 20 0 IBADHN Cn1nc(C(=O)N2CCN(C)CC2)c2c1CN(C(=O)CN1CCCC[C@H](N)C1=O)CC2 ZINC001159073901 1073196995 /nfs/dbraw/zinc/19/69/95/1073196995.db2.gz FGUFSOVBLLCTDG-INIZCTEOSA-N 0 3 431.541 -0.968 20 0 IBADHN C[C@H](N)C(=O)N1[C@H](C(=O)N2C[C@@H]3COC[C@H](C(=O)Nc4cnccn4)[C@@H]3C2)COC1(C)C ZINC001159073981 1073197028 /nfs/dbraw/zinc/19/70/28/1073197028.db2.gz GJXRJBJKSLAFNL-OTJKEOIZSA-N 0 3 446.508 -0.553 20 0 IBADHN Cn1nc(C(=O)N2CCN(C)CC2)c2c1CN(C(=O)[C@H](N)Cc1cccc(O)c1)CC2 ZINC001159074022 1073196939 /nfs/dbraw/zinc/19/69/39/1073196939.db2.gz HIKAHAOIVDMDCO-GOSISDBHSA-N 0 3 426.521 -0.032 20 0 IBADHN Cn1nc(C(=O)N2CCN(C)CC2)c2c1CN(C(=O)[C@@H](N)Cc1cccc(O)c1)CC2 ZINC001159074023 1073196897 /nfs/dbraw/zinc/19/68/97/1073196897.db2.gz HIKAHAOIVDMDCO-SFHVURJKSA-N 0 3 426.521 -0.032 20 0 IBADHN COC(=O)[C@]1(C)C[C@H](N2CCOCC2)CCN1C(=O)[C@@H](N)Cc1ccc(C(N)=O)cc1 ZINC001159074399 1073196843 /nfs/dbraw/zinc/19/68/43/1073196843.db2.gz AQSWNTORVVABNV-FGSXEWAUSA-N 0 3 432.521 -0.090 20 0 IBADHN COC(=O)[C@@]1(C)C[C@H](N2CCOCC2)CCN1C(=O)[C@@H](N)Cc1ccc(C(N)=O)cc1 ZINC001159074400 1073196956 /nfs/dbraw/zinc/19/69/56/1073196956.db2.gz AQSWNTORVVABNV-KGVIQGDOSA-N 0 3 432.521 -0.090 20 0 IBADHN COC(=O)[C@@]1(C)C[C@@H](N2CCOCC2)CCN1C(=O)[C@@H](N)Cc1ccc(C(N)=O)cc1 ZINC001159074401 1073197022 /nfs/dbraw/zinc/19/70/22/1073197022.db2.gz AQSWNTORVVABNV-NPPFBWRTSA-N 0 3 432.521 -0.090 20 0 IBADHN COC(=O)[C@]1(C)C[C@@H](N2CCOCC2)CCN1C(=O)[C@@H](N)Cc1ccc(C(N)=O)cc1 ZINC001159074402 1073196879 /nfs/dbraw/zinc/19/68/79/1073196879.db2.gz AQSWNTORVVABNV-SPEDKVCISA-N 0 3 432.521 -0.090 20 0 IBADHN CC[C@H](C)[C@H](N)C(=O)NCC(=O)N1CCc2c(C(=O)N3CCN(C)CC3)nn(C)c2C1 ZINC001159074667 1073197052 /nfs/dbraw/zinc/19/70/52/1073197052.db2.gz IJYMEYGBRYSURU-KSSFIOAISA-N 0 3 433.557 -0.818 20 0 IBADHN CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)N1CCc2c(C(=O)N3CCN(C)CC3)nn(C)c2C1 ZINC001159074744 1073196859 /nfs/dbraw/zinc/19/68/59/1073196859.db2.gz KQCQXWHWIUEZDE-RDJZCZTQSA-N 0 3 447.584 -0.430 20 0 IBADHN CC(=O)NCCCC[C@H](N)C(=O)N1CCc2c(C(=O)N3CCN(C)CC3)nn(C)c2C1 ZINC001159075386 1073197472 /nfs/dbraw/zinc/19/74/72/1073197472.db2.gz OITHBOKWIHOHOQ-KRWDZBQOSA-N 0 3 433.557 -0.674 20 0 IBADHN COC(=O)[C@]1(C)C[C@@H](N2CCOCC2)CCN1C(=O)[C@H]1CCS(=O)(=O)C12CNC2 ZINC001159076248 1073197481 /nfs/dbraw/zinc/19/74/81/1073197481.db2.gz HMSTUYWDBXAEJE-DAYGRLMNSA-N 0 3 429.539 -0.982 20 0 IBADHN COC(=O)[C@]1(C)C[C@@H](N2CCOCC2)CCN1C(=O)[C@@H]1CCS(=O)(=O)C12CNC2 ZINC001159076249 1073197323 /nfs/dbraw/zinc/19/73/23/1073197323.db2.gz HMSTUYWDBXAEJE-MPGHIAIKSA-N 0 3 429.539 -0.982 20 0 IBADHN COC(=O)[C@]1(C)C[C@H](N2CCOCC2)CCN1C(=O)[C@H]1CCS(=O)(=O)C12CNC2 ZINC001159076250 1073197415 /nfs/dbraw/zinc/19/74/15/1073197415.db2.gz HMSTUYWDBXAEJE-RKVPGOIHSA-N 0 3 429.539 -0.982 20 0 IBADHN COC(=O)[C@]1(C)C[C@H](N2CCOCC2)CCN1C(=O)[C@@H]1CCS(=O)(=O)C12CNC2 ZINC001159076251 1073197350 /nfs/dbraw/zinc/19/73/50/1073197350.db2.gz HMSTUYWDBXAEJE-VKJFTORMSA-N 0 3 429.539 -0.982 20 0 IBADHN Cn1cc(N2C(=O)C[C@@H]3[C@@H]2CCN3C(=O)[C@@H](N)CCCNC(=O)c2cnccn2)cn1 ZINC001159084921 1073198892 /nfs/dbraw/zinc/19/88/92/1073198892.db2.gz OLQMQWLHYPBNTC-BHYGNILZSA-N 0 3 426.481 -0.546 20 0 IBADHN O=C(CO[C@@H]1CC[C@H]2[C@H]1OCCN2C(=O)[C@H]1CCS(=O)(=O)C12CNC2)N1CCCC1 ZINC001159090316 1073198842 /nfs/dbraw/zinc/19/88/42/1073198842.db2.gz CMCOLGKTZFDRBX-KYHPRHEASA-N 0 3 441.550 -0.840 20 0 IBADHN O=C(CO[C@@H]1CC[C@H]2[C@H]1OCCN2C(=O)[C@@H]1CCS(=O)(=O)C12CNC2)N1CCCC1 ZINC001159090317 1073198881 /nfs/dbraw/zinc/19/88/81/1073198881.db2.gz CMCOLGKTZFDRBX-LISAXSMJSA-N 0 3 441.550 -0.840 20 0 IBADHN N[C@@H](CCCNC(=O)c1cnccn1)C(=O)N1CCc2nnc(Cn3cccc3)n2CC1 ZINC001159102295 1073198792 /nfs/dbraw/zinc/19/87/92/1073198792.db2.gz ATQPRTFLJYCVKZ-INIZCTEOSA-N 0 3 437.508 -0.160 20 0 IBADHN CNC(=O)CN1CCOC[C@]2(CCCN(C(=O)[C@H](CC(=O)OC(C)(C)C)NC)C2)C1 ZINC001159124658 1073199837 /nfs/dbraw/zinc/19/98/37/1073199837.db2.gz PEELXTNYXSSZRK-HRAATJIYSA-N 0 3 426.558 -0.007 20 0 IBADHN CNC(=O)CN1CCOC[C@@]2(CCCN(C(=O)[C@H](CC(=O)OC(C)(C)C)NC)C2)C1 ZINC001159124659 1073199784 /nfs/dbraw/zinc/19/97/84/1073199784.db2.gz PEELXTNYXSSZRK-KKSFZXQISA-N 0 3 426.558 -0.007 20 0 IBADHN CNC(=O)CN1CCOC[C@@]2(CCCN(C(=O)[C@H](C)NC(=O)[C@@H](N)CC(C)C)C2)C1 ZINC001159124688 1073200332 /nfs/dbraw/zinc/20/03/32/1073200332.db2.gz PYRDOOCOIMCGRO-FIKGOQFSSA-N 0 3 425.574 -0.449 20 0 IBADHN CNC(=O)CN1CCOC[C@]2(CCCN(C(=O)[C@H](C)NC(=O)[C@@H](N)CC(C)C)C2)C1 ZINC001159124689 1073200465 /nfs/dbraw/zinc/20/04/65/1073200465.db2.gz PYRDOOCOIMCGRO-XGHQBKJUSA-N 0 3 425.574 -0.449 20 0 IBADHN CC(=O)NC[C@H]1c2ncn(C(C)C)c2CCN1C(=O)CC[C@@H](NC(=O)[C@H](C)N)C(N)=O ZINC001159126606 1073200948 /nfs/dbraw/zinc/20/09/48/1073200948.db2.gz PSIVZXJWDRIZRW-BJJXKVORSA-N 0 3 435.529 -0.877 20 0 IBADHN CC(=O)NC[C@@H]1c2ncn(C(C)C)c2CCN1C(=O)CC[C@@H](NC(=O)[C@H](C)N)C(N)=O ZINC001159126607 1073200913 /nfs/dbraw/zinc/20/09/13/1073200913.db2.gz PSIVZXJWDRIZRW-JGGQBBKZSA-N 0 3 435.529 -0.877 20 0 IBADHN CNC(=O)CN1CCOC[C@@]2(CCCN(C(=O)[C@@H](N)Cc3ccc(C(N)=O)cc3)C2)C1 ZINC001159127467 1073200942 /nfs/dbraw/zinc/20/09/42/1073200942.db2.gz SQQDFJZFOGJMHV-AVRDEDQJSA-N 0 3 431.537 -0.658 20 0 IBADHN CNC(=O)CN1CCOC[C@]2(CCCN(C(=O)[C@@H](N)Cc3ccc(C(N)=O)cc3)C2)C1 ZINC001159127470 1073200711 /nfs/dbraw/zinc/20/07/11/1073200711.db2.gz SQQDFJZFOGJMHV-PGRDOPGGSA-N 0 3 431.537 -0.658 20 0 IBADHN C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CN)C(=O)N1CC[C@H]2[C@H]1CCN2Cc1cccnc1 ZINC001159135393 1073201424 /nfs/dbraw/zinc/20/14/24/1073201424.db2.gz VUHAVWDCRUPCPE-KANFNMMFSA-N 0 3 428.537 -0.289 20 0 IBADHN C[C@H](N)C(=O)N1[C@H](C(=O)N2CC[C@H]3O[C@@H](COCC(=O)N(C)C)CC[C@H]32)COC1(C)C ZINC001159135944 1073201326 /nfs/dbraw/zinc/20/13/26/1073201326.db2.gz HXKOYALEFJIRQL-JZAWBGDQSA-N 0 3 440.541 -0.450 20 0 IBADHN CN(C)C(=O)COC[C@H]1CC[C@@H]2[C@@H](CCN2C(=O)[C@H]2CCS(=O)(=O)C23CNC3)O1 ZINC001159136029 1073201377 /nfs/dbraw/zinc/20/13/77/1073201377.db2.gz JHLCYCGJQRHSCA-KLHDSHLOSA-N 0 3 429.539 -0.984 20 0 IBADHN CN(C)C(=O)COC[C@H]1CC[C@@H]2[C@@H](CCN2C(=O)[C@@H]2CCS(=O)(=O)C23CNC3)O1 ZINC001159136030 1073201398 /nfs/dbraw/zinc/20/13/98/1073201398.db2.gz JHLCYCGJQRHSCA-QKPAOTATSA-N 0 3 429.539 -0.984 20 0 IBADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@]2(CCC(=O)N2Cc2ccncc2)C1 ZINC001159145299 1073201868 /nfs/dbraw/zinc/20/18/68/1073201868.db2.gz CBDKAHNGMSNPMH-HTZUNMPGSA-N 0 3 430.509 -0.727 20 0 IBADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@@]2(CCC(=O)N2Cc2ccncc2)C1 ZINC001159145300 1073201984 /nfs/dbraw/zinc/20/19/84/1073201984.db2.gz CBDKAHNGMSNPMH-WDUKFBBWSA-N 0 3 430.509 -0.727 20 0 IBADHN C[C@H](N)C(=O)N[C@H](CCC(=O)N1CCC[C@]2(CCC(=O)N2Cc2ccncc2)C1)C(N)=O ZINC001159145964 1073201973 /nfs/dbraw/zinc/20/19/73/1073201973.db2.gz KITUVVWNBNLAJA-JIGPKXGUSA-N 0 3 444.536 -0.337 20 0 IBADHN C[C@H](N)C(=O)N[C@H](CCC(=O)N1CCC[C@@]2(CCC(=O)N2Cc2ccncc2)C1)C(N)=O ZINC001159145965 1073201933 /nfs/dbraw/zinc/20/19/33/1073201933.db2.gz KITUVVWNBNLAJA-LBUQITIBSA-N 0 3 444.536 -0.337 20 0 IBADHN C[C@H](N)C(=O)N[C@H](CCC(=O)N1CCO[C@]2(CCC[C@H]2COc2ccccn2)C1)C(N)=O ZINC001159160327 1073201837 /nfs/dbraw/zinc/20/18/37/1073201837.db2.gz IHXSTDMLVPMIPS-NRVIRDBHSA-N 0 3 447.536 -0.044 20 0 IBADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCO[C@]2(CCC[C@H]2COc2ccccn2)C1 ZINC001159160624 1073201790 /nfs/dbraw/zinc/20/17/90/1073201790.db2.gz NDUWHCUIPHNKPE-VCAMNPENSA-N 0 3 433.509 -0.435 20 0 IBADHN CC(C)CC(=O)NCc1cc(=O)n2c(n1)CN(C(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)CCC2 ZINC001159172455 1073202355 /nfs/dbraw/zinc/20/23/55/1073202355.db2.gz HHAKWLMJJXCSLH-RDJZCZTQSA-N 0 3 446.552 -0.024 20 0 IBADHN CC(C)CC(=O)NCc1cc(=O)n2c(n1)CN(C(=O)[C@@H](N)CC[S@@](C)=O)CCC2 ZINC001159172521 1073202478 /nfs/dbraw/zinc/20/24/78/1073202478.db2.gz HYZVGSCWXMHONU-PEGYKEAPSA-N 0 3 425.555 -0.266 20 0 IBADHN CC(C)CC(=O)NCc1cc(=O)n2c(n1)CN(C(=O)[C@@H](N)CC[S@](C)=O)CCC2 ZINC001159172522 1073202383 /nfs/dbraw/zinc/20/23/83/1073202383.db2.gz HYZVGSCWXMHONU-WNNBVUDTSA-N 0 3 425.555 -0.266 20 0 IBADHN CC(C)CC(=O)NCc1cc(=O)n2c(n1)CN(C(=O)CN1CCCC[C@H](N)C1=O)CCC2 ZINC001159172607 1073202457 /nfs/dbraw/zinc/20/24/57/1073202457.db2.gz JFDBHSQWUGHDGV-KRWDZBQOSA-N 0 3 446.552 -0.022 20 0 IBADHN CC(C)CC(=O)NCc1cc(=O)n2c(n1)CN(C(=O)[C@@H](N)Cc1cncn1C)CCC2 ZINC001159173242 1073202299 /nfs/dbraw/zinc/20/22/99/1073202299.db2.gz QTDNYVGRMKZPDE-KRWDZBQOSA-N 0 3 429.525 -0.059 20 0 IBADHN CC(C)CC(=O)NCc1cc(=O)n2c(n1)CN(C(=O)[C@@H](N)CCCNC(N)=O)CCC2 ZINC001159173288 1073202404 /nfs/dbraw/zinc/20/24/04/1073202404.db2.gz RYFUHSSVXNZCJR-HNNXBMFYSA-N 0 3 435.529 -0.586 20 0 IBADHN CC(C)CC(=O)NCc1cc(=O)n2c(n1)CN(C(=O)[C@H](N)CCCNC(N)=O)CCC2 ZINC001159173289 1073202330 /nfs/dbraw/zinc/20/23/30/1073202330.db2.gz RYFUHSSVXNZCJR-OAHLLOKOSA-N 0 3 435.529 -0.586 20 0 IBADHN CN1CC[C@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)[C@H]2CNC[C@H](F)C2)CC3)C1=O ZINC001159182074 1073203296 /nfs/dbraw/zinc/20/32/96/1073203296.db2.gz PSNPJGHRDYCJTO-CLCXKQKWSA-N 0 3 430.546 -0.334 20 0 IBADHN CN1CC[C@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)[C@@H]2CNC[C@@H](F)C2)CC3)C1=O ZINC001159182075 1073203254 /nfs/dbraw/zinc/20/32/54/1073203254.db2.gz PSNPJGHRDYCJTO-DOXZYTNZSA-N 0 3 430.546 -0.334 20 0 IBADHN CN1CC[C@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)[C@@H]2CNC[C@H](F)C2)CC3)C1=O ZINC001159182076 1073203280 /nfs/dbraw/zinc/20/32/80/1073203280.db2.gz PSNPJGHRDYCJTO-KHYOSLBOSA-N 0 3 430.546 -0.334 20 0 IBADHN CN1CC[C@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)[C@H]2CNC[C@@H](F)C2)CC3)C1=O ZINC001159182077 1073203239 /nfs/dbraw/zinc/20/32/39/1073203239.db2.gz PSNPJGHRDYCJTO-VCBZYWHSSA-N 0 3 430.546 -0.334 20 0 IBADHN CN1CC[C@@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)[C@H]2CCC4(CNC4)O2)CC3)C1=O ZINC001159183053 1073203272 /nfs/dbraw/zinc/20/32/72/1073203272.db2.gz XUJNDRKEXJNFMY-FOIQADDNSA-N 0 3 440.566 -0.760 20 0 IBADHN CN1CC[C@@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)[C@@H]2CCC4(CNC4)O2)CC3)C1=O ZINC001159183054 1073203202 /nfs/dbraw/zinc/20/32/02/1073203202.db2.gz XUJNDRKEXJNFMY-MGPUTAFESA-N 0 3 440.566 -0.760 20 0 IBADHN CN1CC[C@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)[C@H]2CCC4(CNC4)O2)CC3)C1=O ZINC001159183055 1073203261 /nfs/dbraw/zinc/20/32/61/1073203261.db2.gz XUJNDRKEXJNFMY-QRWLVFNGSA-N 0 3 440.566 -0.760 20 0 IBADHN CN1CC[C@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)[C@@H]2CCC4(CNC4)O2)CC3)C1=O ZINC001159183056 1073203219 /nfs/dbraw/zinc/20/32/19/1073203219.db2.gz XUJNDRKEXJNFMY-YWZLYKJASA-N 0 3 440.566 -0.760 20 0 IBADHN CN1CC[C@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)[C@@H]2C[C@@H](F)CCN2)CC3)C1=O ZINC001159183154 1073203233 /nfs/dbraw/zinc/20/32/33/1073203233.db2.gz ZIEGZSJQKHMKLW-DOXZYTNZSA-N 0 3 430.546 -0.191 20 0 IBADHN CN1CC[C@@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)[C@@H]2C[C@@H](F)CCN2)CC3)C1=O ZINC001159183156 1073203649 /nfs/dbraw/zinc/20/36/49/1073203649.db2.gz ZIEGZSJQKHMKLW-YZVOILCLSA-N 0 3 430.546 -0.191 20 0 IBADHN CN1CC[C@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)[C@H](N)Cc2cnc[nH]2)CC3)C1=O ZINC001159183190 1073203692 /nfs/dbraw/zinc/20/36/92/1073203692.db2.gz ZQCTUXAYADWSNG-BEFAXECRSA-N 0 3 438.554 -0.988 20 0 IBADHN CN1CC[C@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)[C@H](N)Cc2c[nH]cn2)CC3)C1=O ZINC001159183190 1073203689 /nfs/dbraw/zinc/20/36/89/1073203689.db2.gz ZQCTUXAYADWSNG-BEFAXECRSA-N 0 3 438.554 -0.988 20 0 IBADHN CN1CC[C@@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)[C@H](N)Cc2cnc[nH]2)CC3)C1=O ZINC001159183194 1073203745 /nfs/dbraw/zinc/20/37/45/1073203745.db2.gz ZQCTUXAYADWSNG-DNVCBOLYSA-N 0 3 438.554 -0.988 20 0 IBADHN CN1CC[C@@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)[C@H](N)Cc2c[nH]cn2)CC3)C1=O ZINC001159183194 1073203733 /nfs/dbraw/zinc/20/37/33/1073203733.db2.gz ZQCTUXAYADWSNG-DNVCBOLYSA-N 0 3 438.554 -0.988 20 0 IBADHN CN1CC[C@@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)[C@@H](N)Cc2cnc[nH]2)CC3)C1=O ZINC001159183196 1073203592 /nfs/dbraw/zinc/20/35/92/1073203592.db2.gz ZQCTUXAYADWSNG-HNAYVOBHSA-N 0 3 438.554 -0.988 20 0 IBADHN CN1CC[C@@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)[C@@H](N)Cc2c[nH]cn2)CC3)C1=O ZINC001159183196 1073203588 /nfs/dbraw/zinc/20/35/88/1073203588.db2.gz ZQCTUXAYADWSNG-HNAYVOBHSA-N 0 3 438.554 -0.988 20 0 IBADHN CN1CC[C@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)[C@@H](N)Cc2cnc[nH]2)CC3)C1=O ZINC001159183198 1073203801 /nfs/dbraw/zinc/20/38/01/1073203801.db2.gz ZQCTUXAYADWSNG-KXBFYZLASA-N 0 3 438.554 -0.988 20 0 IBADHN CN1CC[C@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)[C@@H](N)Cc2c[nH]cn2)CC3)C1=O ZINC001159183198 1073203798 /nfs/dbraw/zinc/20/37/98/1073203798.db2.gz ZQCTUXAYADWSNG-KXBFYZLASA-N 0 3 438.554 -0.988 20 0 IBADHN CN1CC[C@@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)C[C@H]2CNCCO2)CC3)C1=O ZINC001159189307 1073203852 /nfs/dbraw/zinc/20/38/52/1073203852.db2.gz DARKTMHMJIATCY-HNAYVOBHSA-N 0 3 428.555 -0.903 20 0 IBADHN CN1CC[C@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)C[C@H]2CNCCO2)CC3)C1=O ZINC001159189519 1073204164 /nfs/dbraw/zinc/20/41/64/1073204164.db2.gz DARKTMHMJIATCY-KXBFYZLASA-N 0 3 428.555 -0.903 20 0 IBADHN CN1CC[C@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)[C@@H](N)C2CCOCC2)CC3)C1=O ZINC001159189541 1073204071 /nfs/dbraw/zinc/20/40/71/1073204071.db2.gz DNMITPOMBSYTBK-JXFKEZNVSA-N 0 3 442.582 -0.527 20 0 IBADHN CN1CC[C@@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)[C@@H](N)C2CCOCC2)CC3)C1=O ZINC001159189544 1073204134 /nfs/dbraw/zinc/20/41/34/1073204134.db2.gz DNMITPOMBSYTBK-OXJNMPFZSA-N 0 3 442.582 -0.527 20 0 IBADHN CN1CC[C@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)C(N)C(F)(F)F)CC3)C1=O ZINC001159189643 1073204115 /nfs/dbraw/zinc/20/41/15/1073204115.db2.gz FOKNECAOXWTQFF-ABAIWWIYSA-N 0 3 426.461 -0.392 20 0 IBADHN CN1CC[C@@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)C(N)C(F)(F)F)CC3)C1=O ZINC001159189649 1073204101 /nfs/dbraw/zinc/20/41/01/1073204101.db2.gz FOKNECAOXWTQFF-IAQYHMDHSA-N 0 3 426.461 -0.392 20 0 IBADHN CN1CC[C@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)C(N)C(F)(F)F)CC3)C1=O ZINC001159189650 1073204086 /nfs/dbraw/zinc/20/40/86/1073204086.db2.gz FOKNECAOXWTQFF-NHYWBVRUSA-N 0 3 426.461 -0.392 20 0 IBADHN CN1CC[C@@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)C(N)C(F)(F)F)CC3)C1=O ZINC001159189652 1073204187 /nfs/dbraw/zinc/20/41/87/1073204187.db2.gz FOKNECAOXWTQFF-XHDPSFHLSA-N 0 3 426.461 -0.392 20 0 IBADHN CN1CC[C@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)c2ccc(CN)nc2)CC3)C1=O ZINC001159191199 1073205082 /nfs/dbraw/zinc/20/50/82/1073205082.db2.gz RTDZBNSYQGZFNH-FQEVSTJZSA-N 0 3 435.550 -0.114 20 0 IBADHN CN1CC[C@@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)c2ccc(CN)nc2)CC3)C1=O ZINC001159191200 1073205097 /nfs/dbraw/zinc/20/50/97/1073205097.db2.gz RTDZBNSYQGZFNH-HXUWFJFHSA-N 0 3 435.550 -0.114 20 0 IBADHN CN(C)C(=O)NC[C@H]1OC[C@@H]2CCN(C(=O)[C@@H](N)CCCNC(=O)c3cnccn3)C[C@@H]21 ZINC001159191419 1073205519 /nfs/dbraw/zinc/20/55/19/1073205519.db2.gz GIJCSROKHBABBM-NBOOPKSLSA-N 0 3 447.540 -0.551 20 0 IBADHN C[C@H](N)C(=O)N1[C@H](C(=O)N2CC[C@H]3CO[C@H](CNC(=O)N(C)C)[C@H]3C2)COC1(C)C ZINC001159202001 1073205467 /nfs/dbraw/zinc/20/54/67/1073205467.db2.gz CROPBZRMEPJPBO-UVPYHEFZSA-N 0 3 425.530 -0.568 20 0 IBADHN NC(=O)NCCC[C@H](N)C(=O)N1CC[C@H]2OC[C@@H](C(=O)NCCc3ccccn3)C[C@H]2C1 ZINC001159202931 1073205920 /nfs/dbraw/zinc/20/59/20/1073205920.db2.gz LFMVKVOBTQRMFI-PBWTXFEYSA-N 0 3 446.552 -0.230 20 0 IBADHN NC(=O)NCCC[C@@H](N)C(=O)N1CC[C@H]2OC[C@@H](C(=O)NCCc3ccccn3)C[C@H]2C1 ZINC001159202934 1073205915 /nfs/dbraw/zinc/20/59/15/1073205915.db2.gz LFMVKVOBTQRMFI-RNIPGJKVSA-N 0 3 446.552 -0.230 20 0 IBADHN C[C@H](N)C(=O)N[C@@H](C)C(=O)N1CC[C@H]2OC[C@@H](C(=O)NCCc3ccccn3)C[C@H]2C1 ZINC001159204143 1073206348 /nfs/dbraw/zinc/20/63/48/1073206348.db2.gz WLAIWROTFIMZCK-BRFLTPSNSA-N 0 3 431.537 -0.154 20 0 IBADHN O=C(NCCc1ccccn1)[C@@H]1CO[C@@H]2CCN(C(=O)[C@@H]3COC4(CNC4)CN3)C[C@@H]2C1 ZINC001159204222 1073206282 /nfs/dbraw/zinc/20/62/82/1073206282.db2.gz XRLKEYCNITUVSO-QGZVKYPTSA-N 0 3 443.548 -0.676 20 0 IBADHN O=C(NCCc1ccccn1)[C@@H]1CO[C@@H]2CCN(C(=O)[C@H]3COC4(CNC4)CN3)C[C@@H]2C1 ZINC001159204233 1073206305 /nfs/dbraw/zinc/20/63/05/1073206305.db2.gz XRLKEYCNITUVSO-RAUXBKROSA-N 0 3 443.548 -0.676 20 0 IBADHN C[C@H](N)C(=O)N[C@H](CCC(=O)N1CC[C@H]2O[C@H](COCc3cccnc3)CC[C@H]21)C(N)=O ZINC001159218105 1073206541 /nfs/dbraw/zinc/20/65/41/1073206541.db2.gz CYGYGWRMXVISFF-UKNAQKAOSA-N 0 3 447.536 -0.156 20 0 IBADHN OC[C@H]1O[C@@H](n2c(Br)nc3c2ncnc3NC2=CNCCC2)[C@H](O)[C@@H]1O ZINC001159219165 1073206605 /nfs/dbraw/zinc/20/66/05/1073206605.db2.gz DNTXRKWCRXESON-IDTAVKCVSA-N 0 3 427.259 -0.163 20 0 IBADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CC[C@H]2O[C@H](COCc3cccnc3)CC[C@H]21 ZINC001159219320 1073206652 /nfs/dbraw/zinc/20/66/52/1073206652.db2.gz GGELKDAHMZGPBZ-OGCZYDBJSA-N 0 3 433.509 -0.546 20 0 IBADHN OC[C@H]1O[C@@H](n2c(Br)nc3c2ncnc3N=C2CCCNC2)[C@H](O)[C@@H]1O ZINC001159219632 1073207145 /nfs/dbraw/zinc/20/71/45/1073207145.db2.gz HCRSKHGWUYYGOO-IDTAVKCVSA-N 0 3 427.259 -0.511 20 0 IBADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CC[C@@]2(C1)CCCN(C(=O)c1ccsc1)C2 ZINC001159221031 1073207102 /nfs/dbraw/zinc/20/71/02/1073207102.db2.gz STLUDJKDUZDKBP-KPHUOKFYSA-N 0 3 435.550 -0.090 20 0 IBADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CC[C@]2(C1)CCCN(C(=O)c1ccsc1)C2 ZINC001159221032 1073207061 /nfs/dbraw/zinc/20/70/61/1073207061.db2.gz STLUDJKDUZDKBP-ZQGRQUNCSA-N 0 3 435.550 -0.090 20 0 IBADHN COC[C@H]1Cn2nnc(-c3cnn(C)c3)c2CN1C(=O)[C@@H]1COC(C)(C)N1C(=O)[C@H](C)N ZINC001159223987 1073207231 /nfs/dbraw/zinc/20/72/31/1073207231.db2.gz FEMZXBCWHNEWKQ-BJJXKVORSA-N 0 3 446.512 -0.654 20 0 IBADHN COC[C@@H]1Cn2nnc(-c3cnn(C)c3)c2CN1C(=O)[C@@H]1COC(C)(C)N1C(=O)[C@H](C)N ZINC001159223988 1073207265 /nfs/dbraw/zinc/20/72/65/1073207265.db2.gz FEMZXBCWHNEWKQ-NOLJZWGESA-N 0 3 446.512 -0.654 20 0 IBADHN COC[C@@H]1Cn2nnc(-c3cnn(C)c3)c2CN1C(=O)[C@H](C)NC(=O)[C@@H](N)CC(C)C ZINC001159224437 1073206987 /nfs/dbraw/zinc/20/69/87/1073206987.db2.gz JJDYKELJZBRNSO-BPUTZDHNSA-N 0 3 432.529 -0.086 20 0 IBADHN COC[C@H]1Cn2nnc(-c3cnn(C)c3)c2CN1C(=O)[C@H](C)NC(=O)[C@@H](N)CC(C)C ZINC001159224438 1073207039 /nfs/dbraw/zinc/20/70/39/1073207039.db2.gz JJDYKELJZBRNSO-IMJJTQAJSA-N 0 3 432.529 -0.086 20 0 IBADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@@]2(C[C@H](OCc3ccccn3)CO2)C1 ZINC001159227107 1073207627 /nfs/dbraw/zinc/20/76/27/1073207627.db2.gz BLSUISQKIVPAPZ-WFNJMBFTSA-N 0 3 433.509 -0.544 20 0 IBADHN C[C@H](N)C(=O)N[C@H](CCC(=O)N1CCC[C@@]2(C[C@H](OCc3ccccn3)CO2)C1)C(N)=O ZINC001159228290 1073207704 /nfs/dbraw/zinc/20/77/04/1073207704.db2.gz NJINQGMMXQBJDW-CTWQGKMFSA-N 0 3 447.536 -0.154 20 0 IBADHN Cn1cc(C(=O)N2CC[C@@H]3[C@@H]2CCN3C(=O)[C@@H](N)CCCNC(=O)c2cnccn2)cn1 ZINC001159228806 1073207436 /nfs/dbraw/zinc/20/74/36/1073207436.db2.gz VTLDWIMHPMNZHV-RYQLBKOJSA-N 0 3 440.508 -0.437 20 0 IBADHN Cc1cccc(CN2C(=O)C[C@@H]3[C@@H]2CCN3C(=O)CC[C@@H](NC(=O)[C@H](C)N)C(N)=O)n1 ZINC001159256053 1073208143 /nfs/dbraw/zinc/20/81/43/1073208143.db2.gz IMTQXKFAPUTQMP-PQEBFOHHSA-N 0 3 430.509 -0.811 20 0 IBADHN C[C@H](N)C(=O)N1[C@H](C(=O)N2C[C@H](NC(=O)c3cccn3C)[C@H]3OCCC[C@H]32)COC1(C)C ZINC001159267298 1073208089 /nfs/dbraw/zinc/20/80/89/1073208089.db2.gz IIGRCZVTOIPPCJ-ONMISFSYSA-N 0 3 447.536 -0.176 20 0 IBADHN N[C@@H](CCCNC(=O)c1cnccn1)C(=O)N1C[C@@H]2[C@H](C1)OCCN2c1cnccn1 ZINC001159267308 1073208160 /nfs/dbraw/zinc/20/81/60/1073208160.db2.gz ITJSHGLVUNTWQT-UAGQMJEPSA-N 0 3 426.481 -0.780 20 0 IBADHN Cn1cccc1C(=O)N[C@H]1CN(C(=O)[C@H]2CCS(=O)(=O)C23CNC3)[C@@H]2CCCO[C@@H]21 ZINC001159269651 1073208129 /nfs/dbraw/zinc/20/81/29/1073208129.db2.gz ZWCSJRJVMPZWOP-JYYAWHABSA-N 0 3 436.534 -0.710 20 0 IBADHN Cn1cccc1C(=O)N[C@H]1CN(C(=O)[C@@H]2CCS(=O)(=O)C23CNC3)[C@@H]2CCCO[C@@H]21 ZINC001159269652 1073208109 /nfs/dbraw/zinc/20/81/09/1073208109.db2.gz ZWCSJRJVMPZWOP-LJIGWXMPSA-N 0 3 436.534 -0.710 20 0 IBADHN CC[C@@H]1N(C(=O)CC[C@@H](NC(=O)[C@H](C)N)C(N)=O)CCC[C@]12CCC(=O)N2CCOC ZINC001159276301 1073208658 /nfs/dbraw/zinc/20/86/58/1073208658.db2.gz MJCSLGHUJMHHGT-YJXLLHPSSA-N 0 3 439.557 -0.508 20 0 IBADHN CC[C@@H]1N(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N)CCC[C@]12CCC(=O)N2CCOC ZINC001159276476 1073208473 /nfs/dbraw/zinc/20/84/73/1073208473.db2.gz OISXLPIBQBATQE-KZDUYQQSSA-N 0 3 425.530 -0.898 20 0 IBADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC2(CCN(C(=O)c3ccccc3)C2)CC1 ZINC001159278709 1073208452 /nfs/dbraw/zinc/20/84/52/1073208452.db2.gz BELKNFYMWZRFME-RDJZCZTQSA-N 0 3 429.521 -0.151 20 0 IBADHN C[C@H](N)C(=O)N1[C@H](C(=O)N2CCn3c(CNC(=O)c4ccno4)cnc3C2)COC1(C)C ZINC001159278778 1073208668 /nfs/dbraw/zinc/20/86/68/1073208668.db2.gz CJJKEBDGDPWUCJ-JSGCOSHPSA-N 0 3 445.480 -0.546 20 0 IBADHN C[C@H](N)C(=O)N[C@H](CCC(=O)N1Cc2cncn2C[C@H](COc2cccnc2)C1)C(N)=O ZINC001159282696 1073208597 /nfs/dbraw/zinc/20/85/97/1073208597.db2.gz GVSZKWDWNXEPJY-HDMKZQKVSA-N 0 3 443.508 -0.587 20 0 IBADHN C[C@H](N)C(=O)N[C@H](CCC(=O)N1Cc2cncn2C[C@@H](COc2cccnc2)C1)C(N)=O ZINC001159282697 1073208737 /nfs/dbraw/zinc/20/87/37/1073208737.db2.gz GVSZKWDWNXEPJY-RLFYNMQTSA-N 0 3 443.508 -0.587 20 0 IBADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1Cc2cncn2C[C@H](COc2cccnc2)C1 ZINC001159283695 1073208519 /nfs/dbraw/zinc/20/85/19/1073208519.db2.gz SEUWFPIVGBZIIR-VBQJREDUSA-N 0 3 429.481 -0.977 20 0 IBADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1Cc2cncn2C[C@@H](COc2cccnc2)C1 ZINC001159283696 1073208708 /nfs/dbraw/zinc/20/87/08/1073208708.db2.gz SEUWFPIVGBZIIR-ZQIUZPCESA-N 0 3 429.481 -0.977 20 0 IBADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCc2c(COCc3ccccn3)cncc2C1 ZINC001159284414 1073208632 /nfs/dbraw/zinc/20/86/32/1073208632.db2.gz XYLPFFMWSZYKER-LIRRHRJNSA-N 0 3 440.504 -0.215 20 0 IBADHN Cc1ccc(N2CCO[C@H]3CN(C(=O)[C@@H](N)CCCNC(=O)c4cnccn4)C[C@H]32)nn1 ZINC001159297759 1073209116 /nfs/dbraw/zinc/20/91/16/1073209116.db2.gz ORJADVCSWRINNU-JQHSSLGASA-N 0 3 440.508 -0.471 20 0 IBADHN COC(=O)c1cc2c(nc1N1CCCC1)CCN(C(=O)[C@H]1COC3(CNC3)CN1)CC2 ZINC001159298038 1073209140 /nfs/dbraw/zinc/20/91/40/1073209140.db2.gz FIFRHRLNEOSSSI-GOSISDBHSA-N 0 3 429.521 -0.274 20 0 IBADHN COC(=O)c1cc2c(nc1N1CCCC1)CCN(C(=O)[C@@H]1COC3(CNC3)CN1)CC2 ZINC001159298041 1073209133 /nfs/dbraw/zinc/20/91/33/1073209133.db2.gz FIFRHRLNEOSSSI-SFHVURJKSA-N 0 3 429.521 -0.274 20 0 IBADHN Cc1cccc(N2CCC[C@]3(CN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N)CCO3)C2)c1 ZINC001159298796 1073209106 /nfs/dbraw/zinc/20/91/06/1073209106.db2.gz OQTLZIRKYCSUEH-SGXKBVARSA-N 0 3 431.537 -0.100 20 0 IBADHN Cc1cccc(N2CCC[C@@]3(CN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N)CCO3)C2)c1 ZINC001159298797 1073209154 /nfs/dbraw/zinc/20/91/54/1073209154.db2.gz OQTLZIRKYCSUEH-ZJBJCVSYSA-N 0 3 431.537 -0.100 20 0 IBADHN CO[C@@H]1CCN(C(=O)[C@@H]2CCS(=O)(=O)C23CNC3)[C@@H]2CN(Cc3cccnc3)C[C@@H]21 ZINC001159316419 1073209540 /nfs/dbraw/zinc/20/95/40/1073209540.db2.gz HEWNBTGSZIZGES-INDMIFKZSA-N 0 3 434.562 -0.094 20 0 IBADHN CO[C@@H]1CCN(C(=O)[C@H]2CCS(=O)(=O)C23CNC3)[C@@H]2CN(Cc3cccnc3)C[C@@H]21 ZINC001159316420 1073209347 /nfs/dbraw/zinc/20/93/47/1073209347.db2.gz HEWNBTGSZIZGES-WJFTUGDTSA-N 0 3 434.562 -0.094 20 0 IBADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCc2ncnc(-c3ccc(F)cc3)c2CC1 ZINC001159316487 1073209450 /nfs/dbraw/zinc/20/94/50/1073209450.db2.gz IGLXUAUZUIYPQL-SJCJKPOMSA-N 0 3 428.468 -0.083 20 0 IBADHN O=C([C@@H]1CCS(=O)(=O)C12CNC2)N1CCn2nnc(COCc3cccnc3)c2C1 ZINC001159318187 1073209592 /nfs/dbraw/zinc/20/95/92/1073209592.db2.gz JDIMRJHDNIMNBL-HNNXBMFYSA-N 0 3 432.506 -0.491 20 0 IBADHN O=C([C@H]1CCS(=O)(=O)C12CNC2)N1CCn2nnc(COCc3cccnc3)c2C1 ZINC001159318188 1073209496 /nfs/dbraw/zinc/20/94/96/1073209496.db2.gz JDIMRJHDNIMNBL-OAHLLOKOSA-N 0 3 432.506 -0.491 20 0 IBADHN COC(=O)c1cc2c(nc1-c1cnn(C)c1)CCN(C(=O)[C@@H](N)CCCNC(N)=O)CC2 ZINC001159330560 1073209885 /nfs/dbraw/zinc/20/98/85/1073209885.db2.gz UIYBKEFYUXOLBZ-INIZCTEOSA-N 0 3 443.508 -0.028 20 0 IBADHN COC(=O)c1cc2c(nc1-c1cnn(C)c1)CCN(C(=O)[C@H](N)CCCNC(N)=O)CC2 ZINC001159330561 1073209948 /nfs/dbraw/zinc/20/99/48/1073209948.db2.gz UIYBKEFYUXOLBZ-MRXNPFEDSA-N 0 3 443.508 -0.028 20 0 IBADHN COC(=O)c1cc2c(nc1-c1cnn(C)c1)CCN(C(=O)[C@H]1COC3(CNC3)CN1)CC2 ZINC001159330565 1073210061 /nfs/dbraw/zinc/21/00/61/1073210061.db2.gz UNBHUECYOBBLIL-GOSISDBHSA-N 0 3 440.504 -0.474 20 0 IBADHN COC(=O)c1cc2c(nc1-c1cnn(C)c1)CCN(C(=O)[C@@H]1COC3(CNC3)CN1)CC2 ZINC001159330566 1073209978 /nfs/dbraw/zinc/20/99/78/1073209978.db2.gz UNBHUECYOBBLIL-SFHVURJKSA-N 0 3 440.504 -0.474 20 0 IBADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC2(C[C@@H](Oc3ncccc3F)CO2)CC1 ZINC001159340050 1073209961 /nfs/dbraw/zinc/20/99/61/1073209961.db2.gz SKWRVPKCYYFVIX-GUTXKFCHSA-N 0 3 437.472 -0.543 20 0 IBADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC2(C[C@H](Oc3ncccc3F)CO2)CC1 ZINC001159340051 1073210016 /nfs/dbraw/zinc/21/00/16/1073210016.db2.gz SKWRVPKCYYFVIX-YDHLFZDLSA-N 0 3 437.472 -0.543 20 0 IBADHN Cc1noc(C)c1CN1CCOC[C@]2(CCCN(C(=O)[C@H](C)NC(=O)[C@@H](N)CO)C2)C1 ZINC001159359560 1073210470 /nfs/dbraw/zinc/21/04/70/1073210470.db2.gz YGYJMHPOITZJRM-UQASEVPWSA-N 0 3 437.541 -0.443 20 0 IBADHN Cc1noc(C)c1CN1CCOC[C@@]2(CCCN(C(=O)[C@H](C)NC(=O)[C@@H](N)CO)C2)C1 ZINC001159359561 1073210501 /nfs/dbraw/zinc/21/05/01/1073210501.db2.gz YGYJMHPOITZJRM-XERREHJYSA-N 0 3 437.541 -0.443 20 0 IBADHN O=C(N[C@@H]1CN(C(=O)[C@@H]2CCS(=O)(=O)C23CNC3)C[C@@H]2CCCO[C@H]12)c1cccnc1 ZINC001159359565 1073210569 /nfs/dbraw/zinc/21/05/69/1073210569.db2.gz YKXYWBSUMXQHIH-FJIDUMEYSA-N 0 3 448.545 -0.406 20 0 IBADHN O=C(N[C@@H]1CN(C(=O)[C@H]2CCS(=O)(=O)C23CNC3)C[C@@H]2CCCO[C@H]12)c1cccnc1 ZINC001159359566 1073210387 /nfs/dbraw/zinc/21/03/87/1073210387.db2.gz YKXYWBSUMXQHIH-MLHJIOFPSA-N 0 3 448.545 -0.406 20 0 IBADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCc2ncn(C)c2[C@@H]1COCc1cccnc1 ZINC001159376057 1073210418 /nfs/dbraw/zinc/21/04/18/1073210418.db2.gz UMEHDAGWOUVZQU-JQFCIGGWSA-N 0 3 443.508 -0.835 20 0 IBADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCc2ncn(C)c2[C@H]1COCc1cccnc1 ZINC001159376058 1073211101 /nfs/dbraw/zinc/21/11/01/1073211101.db2.gz UMEHDAGWOUVZQU-RRQGHBQHSA-N 0 3 443.508 -0.835 20 0 IBADHN O=C([C@@H]1CCS(=O)(=O)C12CNC2)N1CCCn2nnc(CNc3cccnc3)c2C1 ZINC001159388038 1073210887 /nfs/dbraw/zinc/21/08/87/1073210887.db2.gz JTPYGCAFWQZZKC-HNNXBMFYSA-N 0 3 431.522 -0.206 20 0 IBADHN O=C([C@H]1CCS(=O)(=O)C12CNC2)N1CCCn2nnc(CNc3cccnc3)c2C1 ZINC001159388042 1073210911 /nfs/dbraw/zinc/21/09/11/1073210911.db2.gz JTPYGCAFWQZZKC-OAHLLOKOSA-N 0 3 431.522 -0.206 20 0 IBADHN C[C@H](N)C(=O)N[C@H](CCC(=O)N1CCCn2nnc(CNc3cccnc3)c2C1)C(N)=O ZINC001159388341 1073210945 /nfs/dbraw/zinc/21/09/45/1073210945.db2.gz NBRJJMDSPOQSKN-DZGCQCFKSA-N 0 3 443.512 -0.885 20 0 IBADHN CCN1C[C@H]2CCN(C(=O)[C@@H](N)CCCNC(=O)c3cnccn3)CC[C@H]2S1(=O)=O ZINC001159402770 1073212709 /nfs/dbraw/zinc/21/27/09/1073212709.db2.gz DJGBRDWSEDHXHF-HLLBOEOZSA-N 0 3 438.554 -0.414 20 0 IBADHN O=C([C@@H]1CCS(=O)(=O)C12CNC2)N1C[C@@H]2COC[C@]2(COc2ncccc2F)C1 ZINC001159403364 1073213220 /nfs/dbraw/zinc/21/32/20/1073213220.db2.gz JBUPHWIFNKSPKE-GLJUWKHASA-N 0 3 425.482 -0.149 20 0 IBADHN O=C([C@H]1CCS(=O)(=O)C12CNC2)N1C[C@@H]2COC[C@]2(COc2ncccc2F)C1 ZINC001159403367 1073213199 /nfs/dbraw/zinc/21/31/99/1073213199.db2.gz JBUPHWIFNKSPKE-LBTNJELSSA-N 0 3 425.482 -0.149 20 0 IBADHN C[C@H](N)C(=O)N[C@H](CCC(=O)N1C[C@@H]2COC[C@]2(COc2ncccc2F)C1)C(N)=O ZINC001159412745 1073213628 /nfs/dbraw/zinc/21/36/28/1073213628.db2.gz XIYHAWVOVYFRBU-IFIYUWNVSA-N 0 3 437.472 -0.828 20 0 IBADHN CN1CCN(Cc2cn3c(n2)CN(C(=O)[C@@H](N)Cc2ccc(C(N)=O)cc2)CC3)CC1 ZINC001159417472 1073213585 /nfs/dbraw/zinc/21/35/85/1073213585.db2.gz QTKQRFNLERMVFG-IBGZPJMESA-N 0 3 425.537 -0.358 20 0 IBADHN C[C@H](N)C(=O)N1[C@H](C(=O)N2CCn3cc(CN4CCN(C)CC4)nc3C2)COC1(C)C ZINC001159424098 1073213647 /nfs/dbraw/zinc/21/36/47/1073213647.db2.gz AQYOXKORQWWXQN-RDJZCZTQSA-N 0 3 433.557 -0.717 20 0 IBADHN CN1CCN(Cc2cn3c(n2)CN(C(=O)[C@H](Cc2ccccc2)NC(=O)CN)CC3)CC1 ZINC001159424262 1073213802 /nfs/dbraw/zinc/21/38/02/1073213802.db2.gz HQQXPUNYYGVRMT-FQEVSTJZSA-N 0 3 439.564 -0.341 20 0 IBADHN C[C@H](N)C(=O)N[C@H](CCC(=O)N1C[C@@H](N(C)Cc2cccnc2)[C@H]2OCCC[C@H]21)C(N)=O ZINC001159425125 1073214159 /nfs/dbraw/zinc/21/41/59/1073214159.db2.gz PUKWDYIJLQLCOJ-FXTJJVCJSA-N 0 3 446.552 -0.631 20 0 IBADHN NC(=O)NCCC[C@H](N)C(=O)N1CCOC[C@]2(CN(c3ccsc3)C(=O)CO2)C1 ZINC001159425372 1073214300 /nfs/dbraw/zinc/21/43/00/1073214300.db2.gz HDIIAMXPGAZDRE-KBXCAEBGSA-N 0 3 425.511 -0.515 20 0 IBADHN NC(=O)NCCC[C@@H](N)C(=O)N1CCOC[C@@]2(CN(c3ccsc3)C(=O)CO2)C1 ZINC001159425373 1073214101 /nfs/dbraw/zinc/21/41/01/1073214101.db2.gz HDIIAMXPGAZDRE-KDOFPFPSSA-N 0 3 425.511 -0.515 20 0 IBADHN NC(=O)NCCC[C@H](N)C(=O)N1CCOC[C@@]2(CN(c3ccsc3)C(=O)CO2)C1 ZINC001159425375 1073214131 /nfs/dbraw/zinc/21/41/31/1073214131.db2.gz HDIIAMXPGAZDRE-KSSFIOAISA-N 0 3 425.511 -0.515 20 0 IBADHN CN1CCN(Cc2cn3c(n2)CN(C(=O)CNC(=O)[C@@H](N)COC(C)(C)C)CC3)CC1 ZINC001159425395 1073214211 /nfs/dbraw/zinc/21/42/11/1073214211.db2.gz QRZJVKJVEHADFX-KRWDZBQOSA-N 0 3 435.573 -0.769 20 0 IBADHN NC(=O)NCCC[C@@H](N)C(=O)N1CCOC[C@]2(CN(c3ccsc3)C(=O)CO2)C1 ZINC001159425787 1073214119 /nfs/dbraw/zinc/21/41/19/1073214119.db2.gz HDIIAMXPGAZDRE-RDTXWAMCSA-N 0 3 425.511 -0.515 20 0 IBADHN CN1CCN(Cc2cn3c(n2)CN(C(=O)CNC(=O)[C@@H](N)Cc2ccccc2)CC3)CC1 ZINC001159426705 1073214283 /nfs/dbraw/zinc/21/42/83/1073214283.db2.gz ZLZJCLUGMPOFMI-FQEVSTJZSA-N 0 3 439.564 -0.341 20 0 IBADHN CN(C)C(=O)NC[C@H]1CCC[C@]2(CCN(C(=O)[C@H]3CCS(=O)(=O)C34CNC4)C2)O1 ZINC001159450135 1073215127 /nfs/dbraw/zinc/21/51/27/1073215127.db2.gz KZANLKIGDLZRJZ-IIDMSEBBSA-N 0 3 428.555 -0.426 20 0 IBADHN CN(C)C(=O)NC[C@H]1CCC[C@]2(CCN(C(=O)[C@@H]3CCS(=O)(=O)C34CNC4)C2)O1 ZINC001159450138 1073215190 /nfs/dbraw/zinc/21/51/90/1073215190.db2.gz KZANLKIGDLZRJZ-RVKKMQEKSA-N 0 3 428.555 -0.426 20 0 IBADHN Cc1cccc(CN2CCO[C@H]3CN(C(=O)[C@H]4COC5(CNC5)CN4)CC[C@H]3C2=O)n1 ZINC001159451071 1073215235 /nfs/dbraw/zinc/21/52/35/1073215235.db2.gz HPSCPIJUFFYDSK-QRVBRYPASA-N 0 3 429.521 -0.704 20 0 IBADHN Cc1cccc(CN2CCO[C@H]3CN(C(=O)[C@@H]4COC5(CNC5)CN4)CC[C@H]3C2=O)n1 ZINC001159451072 1073215172 /nfs/dbraw/zinc/21/51/72/1073215172.db2.gz HPSCPIJUFFYDSK-QYZOEREBSA-N 0 3 429.521 -0.704 20 0 IBADHN Cc1cccc(CN2CCO[C@H]3CN(C(=O)[C@H](N)CCCNC(N)=O)CC[C@H]3C2=O)n1 ZINC001159451361 1073215222 /nfs/dbraw/zinc/21/52/22/1073215222.db2.gz LFPUHSOCGUPPFV-KURKYZTESA-N 0 3 432.525 -0.258 20 0 IBADHN Cc1cccc(CN2CCO[C@H]3CN(C(=O)[C@@H](N)CCCNC(N)=O)CC[C@H]3C2=O)n1 ZINC001159451364 1073215283 /nfs/dbraw/zinc/21/52/83/1073215283.db2.gz LFPUHSOCGUPPFV-SQNIBIBYSA-N 0 3 432.525 -0.258 20 0 IBADHN O=C([C@@H]1CCS(=O)(=O)[C@@H]2CN(C(=O)[C@@H]3CNCCC3(F)F)C[C@@H]21)N1CCOCC1 ZINC001159456940 1073215750 /nfs/dbraw/zinc/21/57/50/1073215750.db2.gz BGYPCUDOOZUEGG-APIJFGDWSA-N 0 3 435.493 -0.648 20 0 IBADHN O=C([C@H]1CNCCC1(F)F)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@@H]2C(=O)N1CCOCC1 ZINC001159456941 1073215593 /nfs/dbraw/zinc/21/55/93/1073215593.db2.gz BGYPCUDOOZUEGG-GBJTYRQASA-N 0 3 435.493 -0.648 20 0 IBADHN O=C([C@H]1CNCCC1(F)F)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)N1CCOCC1 ZINC001159456942 1073215785 /nfs/dbraw/zinc/21/57/85/1073215785.db2.gz BGYPCUDOOZUEGG-KBUPBQIOSA-N 0 3 435.493 -0.648 20 0 IBADHN O=C([C@@H]1CNCCC1(F)F)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@@H]2C(=O)N1CCOCC1 ZINC001159456943 1073215652 /nfs/dbraw/zinc/21/56/52/1073215652.db2.gz BGYPCUDOOZUEGG-LJISPDSOSA-N 0 3 435.493 -0.648 20 0 IBADHN O=C(c1ccc2c(n1)CCNC2)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@@H]2C(=O)N1CCOCC1 ZINC001159456958 1073215680 /nfs/dbraw/zinc/21/56/80/1073215680.db2.gz BYOXMVFRWHYZRV-FRQCXROJSA-N 0 3 448.545 -0.539 20 0 IBADHN O=C(c1ccc2c(n1)CCNC2)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)N1CCOCC1 ZINC001159456959 1073215772 /nfs/dbraw/zinc/21/57/72/1073215772.db2.gz BYOXMVFRWHYZRV-GPMSIDNRSA-N 0 3 448.545 -0.539 20 0 IBADHN O=C(C[C@@H]1CCNC[C@H]1F)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@@H]2C(=O)N1CCOCC1 ZINC001159457074 1073216069 /nfs/dbraw/zinc/21/60/69/1073216069.db2.gz DSLGULMVPPXOBZ-FIDHJVLJSA-N 0 3 431.530 -0.555 20 0 IBADHN O=C(C[C@@H]1CCNC[C@@H]1F)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)N1CCOCC1 ZINC001159457075 1073216160 /nfs/dbraw/zinc/21/61/60/1073216160.db2.gz DSLGULMVPPXOBZ-JZAWBGDQSA-N 0 3 431.530 -0.555 20 0 IBADHN O=C(C[C@@H]1CCNC[C@H]1F)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)N1CCOCC1 ZINC001159457076 1073216010 /nfs/dbraw/zinc/21/60/10/1073216010.db2.gz DSLGULMVPPXOBZ-MZBWOGCUSA-N 0 3 431.530 -0.555 20 0 IBADHN O=C(C[C@@H]1CCNC[C@@H]1F)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@@H]2C(=O)N1CCOCC1 ZINC001159457077 1073216045 /nfs/dbraw/zinc/21/60/45/1073216045.db2.gz DSLGULMVPPXOBZ-ZOFXXKQRSA-N 0 3 431.530 -0.555 20 0 IBADHN CN[C@H](Cc1ccccc1)C(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@@H]2C(=O)N1CCOCC1 ZINC001159457976 1073216524 /nfs/dbraw/zinc/21/65/24/1073216524.db2.gz KHVJRRCWNOXOCM-MTQWCTHYSA-N 0 3 449.573 -0.062 20 0 IBADHN CN[C@H](Cc1ccccc1)C(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)N1CCOCC1 ZINC001159457977 1073216431 /nfs/dbraw/zinc/21/64/31/1073216431.db2.gz KHVJRRCWNOXOCM-UAFMIMERSA-N 0 3 449.573 -0.062 20 0 IBADHN NC[C@@H](C(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)N1CCOCC1)c1ccccc1 ZINC001159458046 1073216404 /nfs/dbraw/zinc/21/64/04/1073216404.db2.gz LUQRORPVZVWGMA-NCXUSEDFSA-N 0 3 435.546 -0.151 20 0 IBADHN NC[C@@H](C(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@@H]2C(=O)N1CCOCC1)c1ccccc1 ZINC001159458047 1073216447 /nfs/dbraw/zinc/21/64/47/1073216447.db2.gz LUQRORPVZVWGMA-WJFTUGDTSA-N 0 3 435.546 -0.151 20 0 IBADHN CC(C)(C)OC[C@H](N)CC(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)N1CCOCC1 ZINC001159458284 1073216503 /nfs/dbraw/zinc/21/65/03/1073216503.db2.gz MMOCFFDMVZVMRG-QBPKDAKJSA-N 0 3 445.582 -0.361 20 0 IBADHN CC(C)(C)OC[C@H](N)CC(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@@H]2C(=O)N1CCOCC1 ZINC001159458285 1073216543 /nfs/dbraw/zinc/21/65/43/1073216543.db2.gz MMOCFFDMVZVMRG-YYIAUSFCSA-N 0 3 445.582 -0.361 20 0 IBADHN C[C@H](N)C(=O)N1[C@H](C(=O)N2Cc3ccnn3C[C@H](C(=O)N3CCCC3)C2)COC1(C)C ZINC001159491675 1073218586 /nfs/dbraw/zinc/21/85/86/1073218586.db2.gz FZPQZGNMFRXJJQ-UXLLHSPISA-N 0 3 432.525 -0.225 20 0 IBADHN C[C@H](N)C(=O)N1[C@H](C(=O)N2Cc3ccnn3C[C@@H](C(=O)N3CCCC3)C2)COC1(C)C ZINC001159491676 1073218693 /nfs/dbraw/zinc/21/86/93/1073218693.db2.gz FZPQZGNMFRXJJQ-ZOBUZTSGSA-N 0 3 432.525 -0.225 20 0 IBADHN C[C@H](N)C(=O)N1[C@H](C(=O)N2CCC[C@]3(CCN(CC(=O)N(C)C)C3=O)C2)COC1(C)C ZINC001159491955 1073218961 /nfs/dbraw/zinc/21/89/61/1073218961.db2.gz HSCXMHQXMGGLBU-GXZWQRSESA-N 0 3 437.541 -0.774 20 0 IBADHN C[C@H](N)C(=O)N1[C@H](C(=O)N2CCC[C@@]3(CCN(CC(=O)N(C)C)C3=O)C2)COC1(C)C ZINC001159491956 1073219085 /nfs/dbraw/zinc/21/90/85/1073219085.db2.gz HSCXMHQXMGGLBU-VFCRVFHLSA-N 0 3 437.541 -0.774 20 0 IBADHN N[C@@H](CCCNC(=O)c1cnccn1)C(=O)N1Cc2[nH]nc(C(=O)N3CCOCC3)c2C1 ZINC001159494194 1073220017 /nfs/dbraw/zinc/22/00/17/1073220017.db2.gz ZFPQGQSOOQXFSB-AWEZNQCLSA-N 0 3 442.480 -0.948 20 0 IBADHN CC(C)CNC(=O)[C@@]12CCC3(CCN(C(=O)[C@@H](N)CN)CC3)[C@@H]1CN(S(C)(=O)=O)C2 ZINC001159506541 1073220096 /nfs/dbraw/zinc/22/00/96/1073220096.db2.gz CHJWCKCOMONGAI-TWOQFEAHSA-N 0 3 443.614 -0.675 20 0 IBADHN CC(C)CNC(=O)[C@@]12CCC3(CCN(C(=O)[C@@H](O)CN)CC3)[C@@H]1CN(S(C)(=O)=O)C2 ZINC001159507224 1073220053 /nfs/dbraw/zinc/22/00/53/1073220053.db2.gz KSLRFXCWHFQJFH-TWOQFEAHSA-N 0 3 444.598 -0.641 20 0 IBADHN Cc1nc(CO[C@@H]2CN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N)[C@@H]3CCCO[C@H]23)cs1 ZINC001159514566 1073220066 /nfs/dbraw/zinc/22/00/66/1073220066.db2.gz GSHWFQGDINFFBZ-JCIUJMIUSA-N 0 3 439.538 -0.566 20 0 IBADHN N[C@@H](CCCNC(=O)c1cnccn1)C(=O)N1CCCn2nnc(Cn3ccnc3)c2C1 ZINC001159515995 1073219829 /nfs/dbraw/zinc/21/98/29/1073219829.db2.gz XWPUHCUMIVMZBK-HNNXBMFYSA-N 0 3 438.496 -0.417 20 0 IBADHN CC(=O)N(C)Cc1nnc2n1CCCN(C(=O)[C@@H](N)CCCNC(=O)c1cnccn1)C2 ZINC001159520240 1073220290 /nfs/dbraw/zinc/22/02/90/1073220290.db2.gz SVAKMEMVALIRGC-HNNXBMFYSA-N 0 3 443.512 -0.684 20 0 IBADHN CCOC(=O)C1(C(=O)N2Cc3ncn(C)c3[C@H](COCCN3CCOCC3)C2)CNC1 ZINC001159526918 1073220425 /nfs/dbraw/zinc/22/04/25/1073220425.db2.gz AUHVLFNQMSZOIX-INIZCTEOSA-N 0 3 435.525 -0.653 20 0 IBADHN CCOC(=O)C1(C(=O)N2Cc3ncn(C)c3[C@@H](COCCN3CCOCC3)C2)CNC1 ZINC001159526919 1073220568 /nfs/dbraw/zinc/22/05/68/1073220568.db2.gz AUHVLFNQMSZOIX-MRXNPFEDSA-N 0 3 435.525 -0.653 20 0 IBADHN Cn1cnc2c1[C@H](COCCN1CCOCC1)CN(C(=O)[C@@H]1CNCc3ccnn3C1)C2 ZINC001159527417 1073220532 /nfs/dbraw/zinc/22/05/32/1073220532.db2.gz CSPJBBCPGDFPRR-MSOLQXFVSA-N 0 3 443.552 -0.189 20 0 IBADHN Cn1cnc2c1[C@@H](COCCN1CCOCC1)CN(C(=O)[C@@H]1CNCc3ccnn3C1)C2 ZINC001159527419 1073220358 /nfs/dbraw/zinc/22/03/58/1073220358.db2.gz CSPJBBCPGDFPRR-QZTJIDSGSA-N 0 3 443.552 -0.189 20 0 IBADHN Cn1cnc2c1[C@H](COCCN1CCOCC1)CN(C(=O)[C@H]1CNCc3ccnn3C1)C2 ZINC001159527422 1073220509 /nfs/dbraw/zinc/22/05/09/1073220509.db2.gz CSPJBBCPGDFPRR-ROUUACIJSA-N 0 3 443.552 -0.189 20 0 IBADHN Cn1cnc2c1[C@@H](COCCN1CCOCC1)CN(C(=O)[C@H]1CNCc3ccnn3C1)C2 ZINC001159527424 1073220270 /nfs/dbraw/zinc/22/02/70/1073220270.db2.gz CSPJBBCPGDFPRR-ZWKOTPCHSA-N 0 3 443.552 -0.189 20 0 IBADHN Cn1cncc1C[C@H](N)C(=O)N1Cc2ncn(C)c2[C@@H](COCCN2CCOCC2)C1 ZINC001159528156 1073220601 /nfs/dbraw/zinc/22/06/01/1073220601.db2.gz FMHHLFKWHQNWBI-AEFFLSMTSA-N 0 3 431.541 -0.502 20 0 IBADHN Cn1cncc1C[C@H](N)C(=O)N1Cc2ncn(C)c2[C@H](COCCN2CCOCC2)C1 ZINC001159528159 1073220626 /nfs/dbraw/zinc/22/06/26/1073220626.db2.gz FMHHLFKWHQNWBI-WMZOPIPTSA-N 0 3 431.541 -0.502 20 0 IBADHN C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N1Cc2ncn(C)c2[C@H](COCCN2CCOCC2)C1 ZINC001159528193 1073220319 /nfs/dbraw/zinc/22/03/19/1073220319.db2.gz FTTSVSRYAMZPMZ-LNLFQRSKSA-N 0 3 448.568 -0.467 20 0 IBADHN C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N1Cc2ncn(C)c2[C@@H](COCCN2CCOCC2)C1 ZINC001159528195 1073220452 /nfs/dbraw/zinc/22/04/52/1073220452.db2.gz FTTSVSRYAMZPMZ-SCTDSRPQSA-N 0 3 448.568 -0.467 20 0 IBADHN Cn1cnc2c1[C@H](COCCN1CCOCC1)CN(C(=O)c1n[nH]c3c1CCNC3)C2 ZINC001159529482 1073220984 /nfs/dbraw/zinc/22/09/84/1073220984.db2.gz KVGXZGNDUNBRIR-HNNXBMFYSA-N 0 3 429.525 -0.123 20 0 IBADHN Cn1cnc2c1[C@@H](COCCN1CCOCC1)CN(C(=O)c1n[nH]c3c1CCNC3)C2 ZINC001159529483 1073221136 /nfs/dbraw/zinc/22/11/36/1073221136.db2.gz KVGXZGNDUNBRIR-OAHLLOKOSA-N 0 3 429.525 -0.123 20 0 IBADHN Cn1cnc2c1[C@@H](COCCN1CCOCC1)CN(C(=O)[C@@H](N)CC[S@@](C)=O)C2 ZINC001159529855 1073221030 /nfs/dbraw/zinc/22/10/30/1073221030.db2.gz MQNZADALHKCIGY-HDBFXVAESA-N 0 3 427.571 -0.709 20 0 IBADHN Cn1cnc2c1[C@H](COCCN1CCOCC1)CN(C(=O)[C@@H](N)CC[S@](C)=O)C2 ZINC001159529856 1073221384 /nfs/dbraw/zinc/22/13/84/1073221384.db2.gz MQNZADALHKCIGY-LXLLPEIISA-N 0 3 427.571 -0.709 20 0 IBADHN Cn1cnc2c1[C@@H](COCCN1CCOCC1)CN(C(=O)[C@@H](N)CC[S@](C)=O)C2 ZINC001159529857 1073221456 /nfs/dbraw/zinc/22/14/56/1073221456.db2.gz MQNZADALHKCIGY-YPOBSOSXSA-N 0 3 427.571 -0.709 20 0 IBADHN Cn1cnc2c1[C@H](COCCN1CCOCC1)CN(C(=O)[C@@H](N)CC[S@@](C)=O)C2 ZINC001159529858 1073221506 /nfs/dbraw/zinc/22/15/06/1073221506.db2.gz MQNZADALHKCIGY-ZSIWHHEXSA-N 0 3 427.571 -0.709 20 0 IBADHN Cn1cnc2c1[C@@H](COCCN1CCOCC1)CN(C(=O)CN1CCCC[C@H](N)C1=O)C2 ZINC001159530020 1073221486 /nfs/dbraw/zinc/22/14/86/1073221486.db2.gz NNKRUCTZMFDXLM-MSOLQXFVSA-N 0 3 448.568 -0.466 20 0 IBADHN Cn1cnc2c1[C@H](COCCN1CCOCC1)CN(C(=O)CN1CCCC[C@H](N)C1=O)C2 ZINC001159530021 1073221536 /nfs/dbraw/zinc/22/15/36/1073221536.db2.gz NNKRUCTZMFDXLM-ROUUACIJSA-N 0 3 448.568 -0.466 20 0 IBADHN Cn1cnc2c1[C@H](COCCN1CCOCC1)CN(C(=O)c1[nH]nc3c1CNCC3)C2 ZINC001159530056 1073221467 /nfs/dbraw/zinc/22/14/67/1073221467.db2.gz OYGBUBYVUQIIQL-HNNXBMFYSA-N 0 3 429.525 -0.123 20 0 IBADHN Cn1cnc2c1[C@@H](COCCN1CCOCC1)CN(C(=O)c1[nH]nc3c1CNCC3)C2 ZINC001159530057 1073221576 /nfs/dbraw/zinc/22/15/76/1073221576.db2.gz OYGBUBYVUQIIQL-OAHLLOKOSA-N 0 3 429.525 -0.123 20 0 IBADHN N[C@H](Cc1cnc[nH]1)C(=O)N1C[C@H]2C[C@H]3[C@@](CN(CCc4ccccc4)S3(=O)=O)(C1)O2 ZINC001159534213 1073222402 /nfs/dbraw/zinc/22/24/02/1073222402.db2.gz NDBISUIFVAAGTA-BNDYYXHWSA-N 0 3 445.545 -0.094 20 0 IBADHN N[C@H](Cc1c[nH]cn1)C(=O)N1C[C@H]2C[C@H]3[C@@](CN(CCc4ccccc4)S3(=O)=O)(C1)O2 ZINC001159534213 1073222398 /nfs/dbraw/zinc/22/23/98/1073222398.db2.gz NDBISUIFVAAGTA-BNDYYXHWSA-N 0 3 445.545 -0.094 20 0 IBADHN N[C@@H](Cc1cnc[nH]1)C(=O)N1C[C@H]2C[C@H]3[C@@](CN(CCc4ccccc4)S3(=O)=O)(C1)O2 ZINC001159534214 1073222525 /nfs/dbraw/zinc/22/25/25/1073222525.db2.gz NDBISUIFVAAGTA-JKBKZWBZSA-N 0 3 445.545 -0.094 20 0 IBADHN N[C@@H](Cc1c[nH]cn1)C(=O)N1C[C@H]2C[C@H]3[C@@](CN(CCc4ccccc4)S3(=O)=O)(C1)O2 ZINC001159534214 1073222522 /nfs/dbraw/zinc/22/25/22/1073222522.db2.gz NDBISUIFVAAGTA-JKBKZWBZSA-N 0 3 445.545 -0.094 20 0 IBADHN O=C(C[C@H]1CNCCO1)N1C[C@H]2C[C@H]3[C@@](CN(CCc4ccccc4)S3(=O)=O)(C1)O2 ZINC001159540526 1073223007 /nfs/dbraw/zinc/22/30/07/1073223007.db2.gz AZNNSXDNPGMBFU-JTJHWIPRSA-N 0 3 435.546 -0.009 20 0 IBADHN CC(C)CC(=O)NC[C@]12COC[C@H]1CN(C(=O)[C@@H](N)CCCNC(=O)c1cnccn1)C2 ZINC001159541087 1073223308 /nfs/dbraw/zinc/22/33/08/1073223308.db2.gz POJHOCKKJUTTLQ-JLHGSKIFSA-N 0 3 446.552 -0.049 20 0 IBADHN CN1CCNC[C@@H]1C(=O)N1C[C@H]2C[C@H]3[C@@](CN(CCc4ccccc4)S3(=O)=O)(C1)O2 ZINC001159541120 1073223270 /nfs/dbraw/zinc/22/32/70/1073223270.db2.gz QWHJTPYLKDWIOR-BNDYYXHWSA-N 0 3 434.562 -0.483 20 0 IBADHN CN1CCNC[C@H]1C(=O)N1C[C@H]2C[C@H]3[C@@](CN(CCc4ccccc4)S3(=O)=O)(C1)O2 ZINC001159541121 1073223424 /nfs/dbraw/zinc/22/34/24/1073223424.db2.gz QWHJTPYLKDWIOR-JKBKZWBZSA-N 0 3 434.562 -0.483 20 0 IBADHN Cn1cncc1C[C@H](N)C(=O)N1C[C@H]2C[C@H]3[C@@](CN(Cc4ccncc4)S3(=O)=O)(C1)O2 ZINC001159594079 1073224268 /nfs/dbraw/zinc/22/42/68/1073224268.db2.gz KKYWICPHVOGKBV-LXZJYRNTSA-N 0 3 446.533 -0.731 20 0 IBADHN N[C@@H](Cc1cnc[nH]1)C(=O)N1C[C@H]2C[C@H]3[C@@](CN(Cc4ccncc4)S3(=O)=O)(C1)O2 ZINC001159594633 1073224335 /nfs/dbraw/zinc/22/43/35/1073224335.db2.gz OFMZBFPKCYPUTK-DFEOGRTESA-N 0 3 432.506 -0.741 20 0 IBADHN N[C@@H](Cc1c[nH]cn1)C(=O)N1C[C@H]2C[C@H]3[C@@](CN(Cc4ccncc4)S3(=O)=O)(C1)O2 ZINC001159594633 1073224333 /nfs/dbraw/zinc/22/43/33/1073224333.db2.gz OFMZBFPKCYPUTK-DFEOGRTESA-N 0 3 432.506 -0.741 20 0 IBADHN N[C@H](Cc1cnc[nH]1)C(=O)N1C[C@H]2C[C@H]3[C@@](CN(Cc4ccncc4)S3(=O)=O)(C1)O2 ZINC001159594640 1073224324 /nfs/dbraw/zinc/22/43/24/1073224324.db2.gz OFMZBFPKCYPUTK-VXNCWWDNSA-N 0 3 432.506 -0.741 20 0 IBADHN N[C@H](Cc1c[nH]cn1)C(=O)N1C[C@H]2C[C@H]3[C@@](CN(Cc4ccncc4)S3(=O)=O)(C1)O2 ZINC001159594640 1073224322 /nfs/dbraw/zinc/22/43/22/1073224322.db2.gz OFMZBFPKCYPUTK-VXNCWWDNSA-N 0 3 432.506 -0.741 20 0 IBADHN COC(=O)CC[C@H](N)C(=O)N1C[C@H]2C[C@H]3[C@@](CN(Cc4ccncc4)S3(=O)=O)(C1)O2 ZINC001159596232 1073224668 /nfs/dbraw/zinc/22/46/68/1073224668.db2.gz ZYISSDNNRIGTIR-DRMAHVMPSA-N 0 3 438.506 -0.754 20 0 IBADHN COC(=O)CC[C@@H](N)C(=O)N1C[C@H]2C[C@H]3[C@@](CN(Cc4ccncc4)S3(=O)=O)(C1)O2 ZINC001159596233 1073224621 /nfs/dbraw/zinc/22/46/21/1073224621.db2.gz ZYISSDNNRIGTIR-JEWRLFTDSA-N 0 3 438.506 -0.754 20 0 IBADHN O=C(c1[nH]nc2c1CNC2)N1C[C@H]2C[C@H]3[C@@](CN(Cc4ccncc4)S3(=O)=O)(C1)O2 ZINC001159598789 1073224606 /nfs/dbraw/zinc/22/46/06/1073224606.db2.gz FEEKGOUBWZMGLA-AZOIQLNYSA-N 0 3 430.490 -0.394 20 0 IBADHN N[C@H](C(=O)N1C[C@H]2C[C@H]3[C@@](CN(Cc4ccncc4)S3(=O)=O)(C1)O2)C1CCOCC1 ZINC001159599805 1073225170 /nfs/dbraw/zinc/22/51/70/1073225170.db2.gz OOZAAEZPSXYUAB-LXZJYRNTSA-N 0 3 436.534 -0.281 20 0 IBADHN C[S@](=O)CC[C@H](N)C(=O)N1C[C@H]2C[C@H]3[C@@](CN(Cc4ccncc4)S3(=O)=O)(C1)O2 ZINC001159600110 1073225110 /nfs/dbraw/zinc/22/51/10/1073225110.db2.gz QQARLADQVPGWEI-ANGHPWRRSA-N 0 3 442.563 -0.939 20 0 IBADHN C[S@@](=O)CC[C@H](N)C(=O)N1C[C@H]2C[C@H]3[C@@](CN(Cc4ccncc4)S3(=O)=O)(C1)O2 ZINC001159600113 1073225181 /nfs/dbraw/zinc/22/51/81/1073225181.db2.gz QQARLADQVPGWEI-RZMRMHQQSA-N 0 3 442.563 -0.939 20 0 IBADHN O=C(c1[nH]nc2c1CNCC2)N1C[C@H]2C[C@H]3[C@@](CN(Cc4ccncc4)S3(=O)=O)(C1)O2 ZINC001159600672 1073225505 /nfs/dbraw/zinc/22/55/05/1073225505.db2.gz WNRKWQATIAPQJX-LIVBEALHSA-N 0 3 444.517 -0.352 20 0 IBADHN N[C@@H](CCCNC(=O)c1cnccn1)C(=O)N1C[C@@H](NC(=O)C2CCC2)[C@H]2COC[C@H]21 ZINC001159600730 1073225387 /nfs/dbraw/zinc/22/53/87/1073225387.db2.gz XFGPZQOJJYLTMN-CYGHRXIMSA-N 0 3 430.509 -0.544 20 0 IBADHN C[C@H](N)C(=O)N[C@H](CCC(=O)N1CCc2[nH]nc(C(=O)N3CCC[C@@H]3C)c2C1)C(N)=O ZINC001159609450 1073226467 /nfs/dbraw/zinc/22/64/67/1073226467.db2.gz MSOZOTOLOZFQHA-SLEUVZQESA-N 0 3 433.513 -0.984 20 0 IBADHN C[C@H](N)C(=O)N[C@H](CCC(=O)N1CCc2[nH]nc(C(=O)N3CCC[C@H]3C)c2C1)C(N)=O ZINC001159609451 1073226385 /nfs/dbraw/zinc/22/63/85/1073226385.db2.gz MSOZOTOLOZFQHA-TYNCELHUSA-N 0 3 433.513 -0.984 20 0 IBADHN O=C(NCCc1ccccc1)[C@]12COC[C@H]1CN(C(=O)[C@H]1CCS(=O)(=O)C13CNC3)C2 ZINC001159611361 1073226396 /nfs/dbraw/zinc/22/63/96/1073226396.db2.gz ZVHPJPBADIFMIC-DBXWQHBBSA-N 0 3 447.557 -0.403 20 0 IBADHN O=C(NCCc1ccccc1)[C@]12COC[C@H]1CN(C(=O)[C@@H]1CCS(=O)(=O)C13CNC3)C2 ZINC001159611362 1073226308 /nfs/dbraw/zinc/22/63/08/1073226308.db2.gz ZVHPJPBADIFMIC-LVCYWYKZSA-N 0 3 447.557 -0.403 20 0 IBADHN COC[C@@H]1CC2(CN1S(=O)(=O)C1CC1)CCN(C(=O)[C@H]1COC3(CNC3)CN1)CC2 ZINC001159622292 1073226900 /nfs/dbraw/zinc/22/69/00/1073226900.db2.gz HOGVNPPCWVNGGS-DOTOQJQBSA-N 0 3 442.582 -0.862 20 0 IBADHN COC[C@H]1CC2(CN1S(=O)(=O)C1CC1)CCN(C(=O)[C@H]1COC3(CNC3)CN1)CC2 ZINC001159622293 1073226769 /nfs/dbraw/zinc/22/67/69/1073226769.db2.gz HOGVNPPCWVNGGS-NVXWUHKLSA-N 0 3 442.582 -0.862 20 0 IBADHN COC[C@@H]1CC2(CN1S(=O)(=O)C1CC1)CCN(C(=O)[C@@H]1COC3(CNC3)CN1)CC2 ZINC001159622294 1073226807 /nfs/dbraw/zinc/22/68/07/1073226807.db2.gz HOGVNPPCWVNGGS-RDJZCZTQSA-N 0 3 442.582 -0.862 20 0 IBADHN COC[C@H]1CC2(CN1S(=O)(=O)C1CC1)CCN(C(=O)[C@@H]1COC3(CNC3)CN1)CC2 ZINC001159622295 1073226906 /nfs/dbraw/zinc/22/69/06/1073226906.db2.gz HOGVNPPCWVNGGS-WBVHZDCISA-N 0 3 442.582 -0.862 20 0 IBADHN COC[C@@H]1CC2(CN1S(=O)(=O)C1CC1)CCN(C(=O)[C@@H](N)CC[S@](C)=O)CC2 ZINC001159622356 1073226855 /nfs/dbraw/zinc/22/68/55/1073226855.db2.gz IJBRHXGFDVFBPN-CSUULGGQSA-N 0 3 435.612 -0.096 20 0 IBADHN COC[C@H]1CC2(CN1S(=O)(=O)C1CC1)CCN(C(=O)[C@@H](N)CC[S@@](C)=O)CC2 ZINC001159622360 1073226840 /nfs/dbraw/zinc/22/68/40/1073226840.db2.gz IJBRHXGFDVFBPN-HDUXBVKDSA-N 0 3 435.612 -0.096 20 0 IBADHN COC[C@@H]1CC2(CN1S(=O)(=O)C1CC1)CCN(C(=O)[C@@H](N)CC[S@@](C)=O)CC2 ZINC001159622362 1073226794 /nfs/dbraw/zinc/22/67/94/1073226794.db2.gz IJBRHXGFDVFBPN-JOYGVZFFSA-N 0 3 435.612 -0.096 20 0 IBADHN COC[C@H]1CC2(CN1S(=O)(=O)C1CC1)CCN(C(=O)[C@@H](N)CC[S@](C)=O)CC2 ZINC001159622364 1073226832 /nfs/dbraw/zinc/22/68/32/1073226832.db2.gz IJBRHXGFDVFBPN-WBQUBVHPSA-N 0 3 435.612 -0.096 20 0 IBADHN COC[C@H]1CC2(CN1S(=O)(=O)C1CC1)CCN(C(=O)[C@H](N)CCCNC(N)=O)CC2 ZINC001159622852 1073227193 /nfs/dbraw/zinc/22/71/93/1073227193.db2.gz NJKLJDFDDGSWQN-GDBMZVCRSA-N 0 3 445.586 -0.416 20 0 IBADHN COC[C@@H]1CC2(CN1S(=O)(=O)C1CC1)CCN(C(=O)[C@H](N)CCCNC(N)=O)CC2 ZINC001159622853 1073227339 /nfs/dbraw/zinc/22/73/39/1073227339.db2.gz NJKLJDFDDGSWQN-GOEBONIOSA-N 0 3 445.586 -0.416 20 0 IBADHN COC[C@@H]1CC2(CN1S(=O)(=O)C1CC1)CCN(C(=O)[C@@H](N)CCCNC(N)=O)CC2 ZINC001159622854 1073227159 /nfs/dbraw/zinc/22/71/59/1073227159.db2.gz NJKLJDFDDGSWQN-HOCLYGCPSA-N 0 3 445.586 -0.416 20 0 IBADHN COC[C@H]1CC2(CN1S(=O)(=O)C1CC1)CCN(C(=O)[C@@H](N)CCCNC(N)=O)CC2 ZINC001159622855 1073227222 /nfs/dbraw/zinc/22/72/22/1073227222.db2.gz NJKLJDFDDGSWQN-ZBFHGGJFSA-N 0 3 445.586 -0.416 20 0 IBADHN COC[C@@H]1CC2(CN1S(=O)(=O)C1CC1)CCN(C(=O)[C@H](C)NC(=O)[C@H](C)N)CC2 ZINC001159623542 1073227769 /nfs/dbraw/zinc/22/77/69/1073227769.db2.gz UROYNJXLZUCURD-KKUMJFAQSA-N 0 3 430.571 -0.340 20 0 IBADHN COC[C@H]1CC2(CN1S(=O)(=O)C1CC1)CCN(C(=O)[C@H](C)NC(=O)[C@H](C)N)CC2 ZINC001159623543 1073227789 /nfs/dbraw/zinc/22/77/89/1073227789.db2.gz UROYNJXLZUCURD-SOUVJXGZSA-N 0 3 430.571 -0.340 20 0 IBADHN N[C@@H](CCCNC(=O)c1cnccn1)C(=O)N1CC[C@H]2O[C@@H](C(=O)N3CCCO3)CC[C@H]21 ZINC001159625291 1073227777 /nfs/dbraw/zinc/22/77/77/1073227777.db2.gz SEWIOLZHILRLGW-DZOHQFGASA-N 0 3 446.508 -0.374 20 0 IBADHN NC(=O)c1ccc(C[C@H](N)C(=O)N2CCCn3c(=O)cc(Cn4ccnc4)nc3C2)cc1 ZINC001159633112 1073227677 /nfs/dbraw/zinc/22/76/77/1073227677.db2.gz FKFXEGQBPLBCPM-SFHVURJKSA-N 0 3 435.488 -0.111 20 0 IBADHN C[C@H](N)C(=O)N1[C@H](C(=O)N2CCCn3c(=O)cc(Cn4ccnc4)nc3C2)COC1(C)C ZINC001159634331 1073227807 /nfs/dbraw/zinc/22/78/07/1073227807.db2.gz XHFKXCJBMNSDKC-HOCLYGCPSA-N 0 3 443.508 -0.469 20 0 IBADHN CC(=O)N1CC(=O)N(c2cccnc2)C[C@]12CCN(C(=O)[C@@H](N)Cc1cncn1C)C2 ZINC001159642839 1073228639 /nfs/dbraw/zinc/22/86/39/1073228639.db2.gz HMZVCNLUXLCMJU-GHTZIAJQSA-N 0 3 425.493 -0.449 20 0 IBADHN CC(=O)N1CC(=O)N(c2cccnc2)C[C@@]12CCN(C(=O)[C@@H](N)Cc1cncn1C)C2 ZINC001159642841 1073228682 /nfs/dbraw/zinc/22/86/82/1073228682.db2.gz HMZVCNLUXLCMJU-RXVVDRJESA-N 0 3 425.493 -0.449 20 0 IBADHN CC(=O)N1CC(=O)N(c2cccnc2)C[C@]12CCN(C(=O)[C@H]1CNCc3ccnn3C1)C2 ZINC001159642843 1073228717 /nfs/dbraw/zinc/22/87/17/1073228717.db2.gz HONCEXSBQLTWKU-HTAPYJJXSA-N 0 3 437.504 -0.136 20 0 IBADHN CC(=O)N1CC(=O)N(c2cccnc2)C[C@@]12CCN(C(=O)[C@H]1CNCc3ccnn3C1)C2 ZINC001159642845 1073228595 /nfs/dbraw/zinc/22/85/95/1073228595.db2.gz HONCEXSBQLTWKU-JTSKRJEESA-N 0 3 437.504 -0.136 20 0 IBADHN CC(=O)N1CC(=O)N(c2cccnc2)C[C@]12CCN(C(=O)[C@@H]1CNCc3ccnn3C1)C2 ZINC001159642848 1073228695 /nfs/dbraw/zinc/22/86/95/1073228695.db2.gz HONCEXSBQLTWKU-VGOFRKELSA-N 0 3 437.504 -0.136 20 0 IBADHN CC(=O)N1CC(=O)N(c2cccnc2)C[C@@]12CCN(C(=O)[C@@H]1CNCc3ccnn3C1)C2 ZINC001159642849 1073228584 /nfs/dbraw/zinc/22/85/84/1073228584.db2.gz HONCEXSBQLTWKU-VGSWGCGISA-N 0 3 437.504 -0.136 20 0 IBADHN CC(=O)N1CC(=O)N(c2cccnc2)C[C@]12CCN(C(=O)[C@H](N)CCCNC(N)=O)C2 ZINC001159643125 1073228690 /nfs/dbraw/zinc/22/86/90/1073228690.db2.gz IXODUYOEXMDTDL-OXQOHEQNSA-N 0 3 431.497 -0.976 20 0 IBADHN CC(=O)N1CC(=O)N(c2cccnc2)C[C@@]12CCN(C(=O)[C@H](N)CCCNC(N)=O)C2 ZINC001159643126 1073228666 /nfs/dbraw/zinc/22/86/66/1073228666.db2.gz IXODUYOEXMDTDL-UZLBHIALSA-N 0 3 431.497 -0.976 20 0 IBADHN CC(=O)N1CC(=O)N(c2cccnc2)C[C@@]12CCN(C(=O)CNC(=O)[C@@H](N)CC(C)C)C2 ZINC001159643431 1073228701 /nfs/dbraw/zinc/22/87/01/1073228701.db2.gz LCQITQZNEIFWCJ-AVRDEDQJSA-N 0 3 444.536 -0.263 20 0 IBADHN CC(=O)N1CC(=O)N(c2cccnc2)C[C@]12CCN(C(=O)CNC(=O)[C@@H](N)CC(C)C)C2 ZINC001159643433 1073228622 /nfs/dbraw/zinc/22/86/22/1073228622.db2.gz LCQITQZNEIFWCJ-PGRDOPGGSA-N 0 3 444.536 -0.263 20 0 IBADHN N[C@@H](CCCNC(=O)c1cnccn1)C(=O)N1CCc2ncc(Cn3cccn3)n2CC1 ZINC001159644788 1073229093 /nfs/dbraw/zinc/22/90/93/1073229093.db2.gz VYIXFDIGMKMWIX-KRWDZBQOSA-N 0 3 437.508 -0.160 20 0 IBADHN CC(=O)N1CC(=O)N(c2cccnc2)C[C@]12CCN(C(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)C2 ZINC001159652380 1073229039 /nfs/dbraw/zinc/22/90/39/1073229039.db2.gz AYIODXNROMNPJL-LZFQIVBZSA-N 0 3 442.520 -0.414 20 0 IBADHN CC(=O)N1CC(=O)N(c2cccnc2)C[C@@]12CCN(C(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)C2 ZINC001159652381 1073228889 /nfs/dbraw/zinc/22/88/89/1073228889.db2.gz AYIODXNROMNPJL-VPKVUBIPSA-N 0 3 442.520 -0.414 20 0 IBADHN CC(=O)NCCCC[C@H](N)C(=O)N1CC[C@@]2(C1)CN(c1cccnc1)C(=O)CN2C(C)=O ZINC001159652532 1073229436 /nfs/dbraw/zinc/22/94/36/1073229436.db2.gz FEJFUAAXXLQKHE-SIKLNZKXSA-N 0 3 444.536 -0.119 20 0 IBADHN CC(=O)NCCCC[C@H](N)C(=O)N1CC[C@]2(C1)CN(c1cccnc1)C(=O)CN2C(C)=O ZINC001159652533 1073229393 /nfs/dbraw/zinc/22/93/93/1073229393.db2.gz FEJFUAAXXLQKHE-UGKGYDQZSA-N 0 3 444.536 -0.119 20 0 IBADHN CC[C@H](C)[C@H](N)C(=O)NCC(=O)N1CC[C@@]2(C1)CN(c1cccnc1)C(=O)CN2C(C)=O ZINC001159652776 1073229475 /nfs/dbraw/zinc/22/94/75/1073229475.db2.gz KBYCBAACMHTUST-GJULWVSJSA-N 0 3 444.536 -0.263 20 0 IBADHN CC[C@H](C)[C@H](N)C(=O)NCC(=O)N1CC[C@]2(C1)CN(c1cccnc1)C(=O)CN2C(C)=O ZINC001159652777 1073229503 /nfs/dbraw/zinc/22/95/03/1073229503.db2.gz KBYCBAACMHTUST-LVWPNOBMSA-N 0 3 444.536 -0.263 20 0 IBADHN CC(=O)N1CC(=O)N(c2cccnc2)C[C@@]12CCN(C(=O)CN1CCCC[C@H](N)C1=O)C2 ZINC001159653944 1073229846 /nfs/dbraw/zinc/22/98/46/1073229846.db2.gz WDRKTOXRUDSHEU-AVRDEDQJSA-N 0 3 442.520 -0.412 20 0 IBADHN CC(=O)N1CC(=O)N(c2cccnc2)C[C@]12CCN(C(=O)CN1CCCC[C@H](N)C1=O)C2 ZINC001159653946 1073229934 /nfs/dbraw/zinc/22/99/34/1073229934.db2.gz WDRKTOXRUDSHEU-PGRDOPGGSA-N 0 3 442.520 -0.412 20 0 IBADHN CC(C)C[C@H](N)C(=O)NCC(=O)N1CCn2cc(CNC(=O)c3cccn3C)nc2C1 ZINC001159663040 1073230401 /nfs/dbraw/zinc/23/04/01/1073230401.db2.gz BXYSORDXXOYCPY-INIZCTEOSA-N 0 3 429.525 -0.017 20 0 IBADHN C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N1CCn2cc(CNC(=O)c3cccn3C)nc2C1 ZINC001159663253 1073230196 /nfs/dbraw/zinc/23/01/96/1073230196.db2.gz GTQAQTFJFOYVRF-YOEHRIQHSA-N 0 3 427.509 -0.168 20 0 IBADHN Cn1cccc1C(=O)NCc1cn2c(n1)CN(C(=O)CN1CCCC[C@H](N)C1=O)CC2 ZINC001159663535 1073230219 /nfs/dbraw/zinc/23/02/19/1073230219.db2.gz NCELZEGTUHJZFH-INIZCTEOSA-N 0 3 427.509 -0.166 20 0 IBADHN Cn1cccc1C(=O)NCc1cn2c(n1)CN(C(=O)[C@@H]1CCS(=O)(=O)C13CNC3)CC2 ZINC001159663652 1073230412 /nfs/dbraw/zinc/23/04/12/1073230412.db2.gz QTOYLGOLZHUZHO-HNNXBMFYSA-N 0 3 446.533 -0.730 20 0 IBADHN Cn1cccc1C(=O)NCc1cn2c(n1)CN(C(=O)[C@H]1CCS(=O)(=O)C13CNC3)CC2 ZINC001159663653 1073230365 /nfs/dbraw/zinc/23/03/65/1073230365.db2.gz QTOYLGOLZHUZHO-OAHLLOKOSA-N 0 3 446.533 -0.730 20 0 IBADHN O=C(c1ccco1)N1CCO[C@@H]2CN(C(=O)[C@H]3CCS(=O)(=O)C34CNC4)CC[C@@H]2C1 ZINC001159664089 1073230353 /nfs/dbraw/zinc/23/03/53/1073230353.db2.gz WJRJAVYMBWBRAV-BFYDXBDKSA-N 0 3 437.518 -0.254 20 0 IBADHN O=C(c1ccco1)N1CCO[C@@H]2CN(C(=O)[C@@H]3CCS(=O)(=O)C34CNC4)CC[C@@H]2C1 ZINC001159664090 1073230308 /nfs/dbraw/zinc/23/03/08/1073230308.db2.gz WJRJAVYMBWBRAV-HLLBOEOZSA-N 0 3 437.518 -0.254 20 0 IBADHN CC[C@H](C)[C@H](N)C(=O)NCC(=O)N1CCn2cc(CNC(=O)c3cccn3C)nc2C1 ZINC001159664092 1073230320 /nfs/dbraw/zinc/23/03/20/1073230320.db2.gz WOBJEWVHCFESTK-LIRRHRJNSA-N 0 3 429.525 -0.017 20 0 IBADHN C[C@H](N)C(=O)N1[C@H](C(=O)N2CCC3(CC2)CN(c2cncnc2)C(=O)CO3)COC1(C)C ZINC001159665264 1073230244 /nfs/dbraw/zinc/23/02/44/1073230244.db2.gz IOSLTBBEYGZZKH-HOCLYGCPSA-N 0 3 446.508 -0.488 20 0 IBADHN C[C@H](N)C(=O)N[C@H](CCC(=O)N1CC[C@@H]2CN(C(=O)c3ccco3)CCO[C@@H]2C1)C(N)=O ZINC001159678001 1073230816 /nfs/dbraw/zinc/23/08/16/1073230816.db2.gz QWQOEPMTLISKMR-KLZNWCGWSA-N 0 3 449.508 -0.933 20 0 IBADHN C[C@H](N)C(=O)N[C@H](CCC(=O)N1CCC2(CC1)CN(c1ccccn1)CCO2)C(N)=O ZINC001159687870 1073230854 /nfs/dbraw/zinc/23/08/54/1073230854.db2.gz JKHYXLJZHHZDOX-JKSUJKDBSA-N 0 3 432.525 -0.623 20 0 IBADHN C[C@H](N)C(=O)N[C@H](CCC(=O)N1CCO[C@@H]2C[C@@H](COc3ccccn3)C[C@H]21)C(N)=O ZINC001159700700 1073230868 /nfs/dbraw/zinc/23/08/68/1073230868.db2.gz UCEVLUBXLYCINY-FIDHJVLJSA-N 0 3 433.509 -0.436 20 0 IBADHN C[C@H](N)C(=O)N[C@H](CCC(=O)N1CCO[C@@H]2C[C@H](COc3ccccn3)C[C@@H]21)C(N)=O ZINC001159700701 1073230861 /nfs/dbraw/zinc/23/08/61/1073230861.db2.gz UCEVLUBXLYCINY-JZAWBGDQSA-N 0 3 433.509 -0.436 20 0 IBADHN C[C@H](N)C(=O)N[C@H](CCC(=O)N1CCO[C@@H]2C[C@H](COc3ccccn3)C[C@H]21)C(N)=O ZINC001159700702 1073230703 /nfs/dbraw/zinc/23/07/03/1073230703.db2.gz UCEVLUBXLYCINY-MZBWOGCUSA-N 0 3 433.509 -0.436 20 0 IBADHN C[C@H](N)C(=O)N[C@H](CCC(=O)N1CCO[C@@H]2C[C@@H](COc3ccccn3)C[C@@H]21)C(N)=O ZINC001159700703 1073230767 /nfs/dbraw/zinc/23/07/67/1073230767.db2.gz UCEVLUBXLYCINY-ZOFXXKQRSA-N 0 3 433.509 -0.436 20 0 IBADHN C[C@H](N)C(=O)N[C@H](CCC(=O)N1CCC2(CC1)C(=O)NC[C@H]2c1ccccc1)C(N)=O ZINC001159700842 1073231125 /nfs/dbraw/zinc/23/11/25/1073231125.db2.gz UHEHLXKKGZRONV-BHYGNILZSA-N 0 3 429.521 -0.394 20 0 IBADHN C[C@H](N)C(=O)N[C@H](CCC(=O)N1CCC2(CC1)C(=O)NC[C@@H]2c1ccccc1)C(N)=O ZINC001159700844 1073231161 /nfs/dbraw/zinc/23/11/61/1073231161.db2.gz UHEHLXKKGZRONV-USXIJHARSA-N 0 3 429.521 -0.394 20 0 IBADHN O=C(NC[C@@H]1CC[C@@H]2[C@@H]1OCCN2C(=O)[C@H]1CNCc2ccnn2C1)c1ccnnc1 ZINC001159708728 1073231260 /nfs/dbraw/zinc/23/12/60/1073231260.db2.gz AIKJPFKHXJIBLZ-IAAVTCLWSA-N 0 3 425.493 -0.172 20 0 IBADHN O=C(NC[C@@H]1CC[C@@H]2[C@@H]1OCCN2C(=O)[C@@H]1CNCc2ccnn2C1)c1ccnnc1 ZINC001159708729 1073231186 /nfs/dbraw/zinc/23/11/86/1073231186.db2.gz AIKJPFKHXJIBLZ-RGIVZKHGSA-N 0 3 425.493 -0.172 20 0 IBADHN O=C(NC[C@@H]1CC[C@@H]2[C@H]1OCCN2C(=O)[C@@H]1CNCc2ccnn2C1)c1ccnnc1 ZINC001159708730 1073231102 /nfs/dbraw/zinc/23/11/02/1073231102.db2.gz AIKJPFKHXJIBLZ-WLWJZTKJSA-N 0 3 425.493 -0.172 20 0 IBADHN O=C(NC[C@@H]1CC[C@@H]2[C@H]1OCCN2C(=O)[C@H]1CNCc2ccnn2C1)c1ccnnc1 ZINC001159708731 1073231325 /nfs/dbraw/zinc/23/13/25/1073231325.db2.gz AIKJPFKHXJIBLZ-WQCNXYOZSA-N 0 3 425.493 -0.172 20 0 IBADHN CC(=O)NCCCC[C@H](N)C(=O)N1CCO[C@@H]2[C@H](CNC(=O)c3ccnnc3)CC[C@@H]21 ZINC001159709302 1073231271 /nfs/dbraw/zinc/23/12/71/1073231271.db2.gz DIHWDIPOBVGDTE-DSLXNQLJSA-N 0 3 432.525 -0.154 20 0 IBADHN CC(=O)NCCCC[C@H](N)C(=O)N1CCO[C@H]2[C@H]1CC[C@H]2CNC(=O)c1ccnnc1 ZINC001159709303 1073231335 /nfs/dbraw/zinc/23/13/35/1073231335.db2.gz DIHWDIPOBVGDTE-GDAAHCPNSA-N 0 3 432.525 -0.154 20 0 IBADHN CC(=O)NCCCC[C@H](N)C(=O)N1CCO[C@@H]2[C@@H](CNC(=O)c3ccnnc3)CC[C@H]21 ZINC001159709504 1073231143 /nfs/dbraw/zinc/23/11/43/1073231143.db2.gz DIHWDIPOBVGDTE-QXCFHYIPSA-N 0 3 432.525 -0.154 20 0 IBADHN CC(=O)NCCCC[C@H](N)C(=O)N1CCO[C@@H]2[C@@H](CNC(=O)c3ccnnc3)CC[C@@H]21 ZINC001159709505 1073231249 /nfs/dbraw/zinc/23/12/49/1073231249.db2.gz DIHWDIPOBVGDTE-XGXHKWSGSA-N 0 3 432.525 -0.154 20 0 IBADHN CC(C)C[C@H](N)C(=O)NCC(=O)N1CCO[C@H]2[C@H]1CC[C@H]2CNC(=O)c1ccnnc1 ZINC001159710293 1073231081 /nfs/dbraw/zinc/23/10/81/1073231081.db2.gz IJDYKPCWJKPZIE-ITQYTPKQSA-N 0 3 432.525 -0.298 20 0 IBADHN CC(C)C[C@H](N)C(=O)NCC(=O)N1CCO[C@@H]2[C@@H](CNC(=O)c3ccnnc3)CC[C@H]21 ZINC001159710294 1073231290 /nfs/dbraw/zinc/23/12/90/1073231290.db2.gz IJDYKPCWJKPZIE-NOCIGQNYSA-N 0 3 432.525 -0.298 20 0 IBADHN CC(C)C[C@H](N)C(=O)NCC(=O)N1CCO[C@@H]2[C@H](CNC(=O)c3ccnnc3)CC[C@@H]21 ZINC001159710296 1073231315 /nfs/dbraw/zinc/23/13/15/1073231315.db2.gz IJDYKPCWJKPZIE-PCODUJHASA-N 0 3 432.525 -0.298 20 0 IBADHN CC(C)C[C@H](N)C(=O)NCC(=O)N1CCO[C@@H]2[C@@H](CNC(=O)c3ccnnc3)CC[C@@H]21 ZINC001159710504 1073231304 /nfs/dbraw/zinc/23/13/04/1073231304.db2.gz IJDYKPCWJKPZIE-QSOKESPWSA-N 0 3 432.525 -0.298 20 0 IBADHN C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N1CCO[C@@H]2[C@@H](CNC(=O)c3ccnnc3)CC[C@@H]21 ZINC001159710878 1073231176 /nfs/dbraw/zinc/23/11/76/1073231176.db2.gz KBYHEJMCINYXAE-QJESEZNXSA-N 0 3 430.509 -0.449 20 0 IBADHN C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N1CCO[C@H]2[C@H]1CC[C@H]2CNC(=O)c1ccnnc1 ZINC001159710879 1073231210 /nfs/dbraw/zinc/23/12/10/1073231210.db2.gz KBYHEJMCINYXAE-VGAPYMQISA-N 0 3 430.509 -0.449 20 0 IBADHN C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N1CCO[C@@H]2[C@@H](CNC(=O)c3ccnnc3)CC[C@H]21 ZINC001159710880 1073231691 /nfs/dbraw/zinc/23/16/91/1073231691.db2.gz KBYHEJMCINYXAE-XGAARHLOSA-N 0 3 430.509 -0.449 20 0 IBADHN C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N1CCO[C@@H]2[C@H](CNC(=O)c3ccnnc3)CC[C@@H]21 ZINC001159710881 1073231697 /nfs/dbraw/zinc/23/16/97/1073231697.db2.gz KBYHEJMCINYXAE-YECZKDOJSA-N 0 3 430.509 -0.449 20 0 IBADHN N[C@H]1CCCCN(CC(=O)N2CCO[C@H]3[C@H]2CC[C@H]3CNC(=O)c2ccnnc2)C1=O ZINC001159711224 1073231616 /nfs/dbraw/zinc/23/16/16/1073231616.db2.gz MTMWGTSORWUWIG-ITQYTPKQSA-N 0 3 430.509 -0.448 20 0 IBADHN N[C@H]1CCCCN(CC(=O)N2CCO[C@@H]3[C@@H](CNC(=O)c4ccnnc4)CC[C@H]32)C1=O ZINC001159711225 1073231642 /nfs/dbraw/zinc/23/16/42/1073231642.db2.gz MTMWGTSORWUWIG-NOCIGQNYSA-N 0 3 430.509 -0.448 20 0 IBADHN N[C@H]1CCCCN(CC(=O)N2CCO[C@@H]3[C@H](CNC(=O)c4ccnnc4)CC[C@@H]32)C1=O ZINC001159711226 1073231728 /nfs/dbraw/zinc/23/17/28/1073231728.db2.gz MTMWGTSORWUWIG-PCODUJHASA-N 0 3 430.509 -0.448 20 0 IBADHN N[C@H]1CCCCN(CC(=O)N2CCO[C@@H]3[C@@H](CNC(=O)c4ccnnc4)CC[C@@H]32)C1=O ZINC001159711227 1073231771 /nfs/dbraw/zinc/23/17/71/1073231771.db2.gz MTMWGTSORWUWIG-QSOKESPWSA-N 0 3 430.509 -0.448 20 0 IBADHN CC[C@H](C)[C@H](N)C(=O)NCC(=O)N1CCO[C@H]2[C@H]1CC[C@H]2CNC(=O)c1ccnnc1 ZINC001159713973 1073231722 /nfs/dbraw/zinc/23/17/22/1073231722.db2.gz UTTYIVOITDCSFW-GAIWEEKLSA-N 0 3 432.525 -0.298 20 0 IBADHN CC[C@H](C)[C@H](N)C(=O)NCC(=O)N1CCO[C@@H]2[C@@H](CNC(=O)c3ccnnc3)CC[C@@H]21 ZINC001159713974 1073231681 /nfs/dbraw/zinc/23/16/81/1073231681.db2.gz UTTYIVOITDCSFW-HKJYQUGISA-N 0 3 432.525 -0.298 20 0 IBADHN CC[C@H](C)[C@H](N)C(=O)NCC(=O)N1CCO[C@@H]2[C@H](CNC(=O)c3ccnnc3)CC[C@@H]21 ZINC001159713975 1073232077 /nfs/dbraw/zinc/23/20/77/1073232077.db2.gz UTTYIVOITDCSFW-NZMUHZMNSA-N 0 3 432.525 -0.298 20 0 IBADHN CC[C@H](C)[C@H](N)C(=O)NCC(=O)N1CCO[C@@H]2[C@@H](CNC(=O)c3ccnnc3)CC[C@H]21 ZINC001159713976 1073232108 /nfs/dbraw/zinc/23/21/08/1073232108.db2.gz UTTYIVOITDCSFW-UQOYYSHTSA-N 0 3 432.525 -0.298 20 0 IBADHN O=C([C@H]1CCS(=O)(=O)C12CNC2)N(c1ccccn1)c1ccnc([C@@H]2COCCN2)n1 ZINC001159722846 1073232521 /nfs/dbraw/zinc/23/25/21/1073232521.db2.gz MKEGIIMGESLEKB-CABCVRRESA-N 0 3 444.517 -0.026 20 0 IBADHN O=C([C@@H]1CCS(=O)(=O)C12CNC2)N(c1ccccn1)c1ccnc([C@@H]2COCCN2)n1 ZINC001159722849 1073232507 /nfs/dbraw/zinc/23/25/07/1073232507.db2.gz MKEGIIMGESLEKB-GJZGRUSLSA-N 0 3 444.517 -0.026 20 0 IBADHN O=C([C@H]1CCS(=O)(=O)C12CNC2)N(c1ccccn1)c1ccnc([C@H]2COCCN2)n1 ZINC001159722852 1073232603 /nfs/dbraw/zinc/23/26/03/1073232603.db2.gz MKEGIIMGESLEKB-HUUCEWRRSA-N 0 3 444.517 -0.026 20 0 IBADHN O=C([C@@H]1CCS(=O)(=O)C12CNC2)N(c1ccccn1)c1ccnc([C@H]2COCCN2)n1 ZINC001159722854 1073232483 /nfs/dbraw/zinc/23/24/83/1073232483.db2.gz MKEGIIMGESLEKB-LSDHHAIUSA-N 0 3 444.517 -0.026 20 0 IBADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC2(CCN(C(=O)c3cscn3)C2)CC1 ZINC001159722882 1073232551 /nfs/dbraw/zinc/23/25/51/1073232551.db2.gz MWTDFKNLIQKJSN-STQMWFEESA-N 0 3 436.538 -0.695 20 0 IBADHN CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)N1C[C@@H]2COC[C@]2(COCC(=O)N2CCCC2)C1 ZINC001159738307 1073232946 /nfs/dbraw/zinc/23/29/46/1073232946.db2.gz SBQPKORTBBQOBZ-SUWCGCSTSA-N 0 3 438.569 -0.022 20 0 IBADHN N[C@@H](CCCNC(=O)c1cnccn1)C(=O)N1CC[C@H]2OCC[C@@]2(C(=O)NCC2CC2)C1 ZINC001159746086 1073232860 /nfs/dbraw/zinc/23/28/60/1073232860.db2.gz BDCUQOFPQXSBOM-AQOAWAETSA-N 0 3 444.536 -0.152 20 0 IBADHN C[C@H](N)C(=O)N[C@H](CCC(=O)N1C[C@@H]2CN(C(=O)c3ccccc3)CCO[C@@H]2C1)C(N)=O ZINC001159746488 1073232875 /nfs/dbraw/zinc/23/28/75/1073232875.db2.gz NROZTJFCOQLJCH-DZJNRPSUSA-N 0 3 445.520 -0.917 20 0 IBADHN O=C(c1ccccc1)N1CCO[C@@H]2CN(C(=O)[C@@H]3CCS(=O)(=O)C34CNC4)C[C@@H]2C1 ZINC001159748064 1073232938 /nfs/dbraw/zinc/23/29/38/1073232938.db2.gz XMAQYUVNMWYXCH-OKZBNKHCSA-N 0 3 433.530 -0.237 20 0 IBADHN O=C(c1ccccc1)N1CCO[C@@H]2CN(C(=O)[C@H]3CCS(=O)(=O)C34CNC4)C[C@@H]2C1 ZINC001159748065 1073232904 /nfs/dbraw/zinc/23/29/04/1073232904.db2.gz XMAQYUVNMWYXCH-RCCFBDPRSA-N 0 3 433.530 -0.237 20 0 IBADHN Cn1cc(N2C[C@]3(CCN(C(=O)[C@@H](N)CCCNC(=O)c4cnccn4)C3)CC2=O)cn1 ZINC001159752602 1073233518 /nfs/dbraw/zinc/23/35/18/1073233518.db2.gz XBYCEUNGGBPNFL-HRAATJIYSA-N 0 3 440.508 -0.297 20 0 IBADHN Cn1cc(N2C[C@@]3(CCN(C(=O)[C@@H](N)CCCNC(=O)c4cnccn4)C3)CC2=O)cn1 ZINC001159752603 1073233364 /nfs/dbraw/zinc/23/33/64/1073233364.db2.gz XBYCEUNGGBPNFL-KKSFZXQISA-N 0 3 440.508 -0.297 20 0 IBADHN C[C@H](N)C(=O)N1[C@H](C(=O)N2C[C@@H]3COC[C@@H](CC(=O)NCC4CC4)[C@@H]3C2)COC1(C)C ZINC001159763174 1073233976 /nfs/dbraw/zinc/23/39/76/1073233976.db2.gz BOJPWZDKLXMFGB-IASZTOCISA-N 0 3 436.553 -0.066 20 0 IBADHN CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)N1C[C@@H]2COC[C@@H](CC(=O)N3CCOCC3)[C@@H]2C1 ZINC001159767807 1073233936 /nfs/dbraw/zinc/23/39/36/1073233936.db2.gz MSKFGNKQFQOIAF-JKEDJMADSA-N 0 3 438.569 -0.166 20 0 IBADHN N[C@@H](CCCNC(=O)c1cnccn1)C(=O)N1CC[C@H]2O[C@H](C(=O)NCC3CC3)C[C@H]21 ZINC001159769298 1073234254 /nfs/dbraw/zinc/23/42/54/1073234254.db2.gz IIJXMIQLADYVQT-HPBDAGMYSA-N 0 3 430.509 -0.402 20 0 IBADHN N[C@@H](Cc1cnc[nH]1)C(=O)N1CCCn2c(=O)cc(CNC(=O)c3ccco3)nc2C1 ZINC001159790568 1073234496 /nfs/dbraw/zinc/23/44/96/1073234496.db2.gz HKNPYKXJAOUAQP-HNNXBMFYSA-N 0 3 425.449 -0.208 20 0 IBADHN N[C@@H](Cc1c[nH]cn1)C(=O)N1CCCn2c(=O)cc(CNC(=O)c3ccco3)nc2C1 ZINC001159790568 1073234491 /nfs/dbraw/zinc/23/44/91/1073234491.db2.gz HKNPYKXJAOUAQP-HNNXBMFYSA-N 0 3 425.449 -0.208 20 0 IBADHN N[C@H](Cc1cnc[nH]1)C(=O)N1CCCn2c(=O)cc(CNC(=O)c3ccco3)nc2C1 ZINC001159790569 1073234535 /nfs/dbraw/zinc/23/45/35/1073234535.db2.gz HKNPYKXJAOUAQP-OAHLLOKOSA-N 0 3 425.449 -0.208 20 0 IBADHN N[C@H](Cc1c[nH]cn1)C(=O)N1CCCn2c(=O)cc(CNC(=O)c3ccco3)nc2C1 ZINC001159790569 1073234527 /nfs/dbraw/zinc/23/45/27/1073234527.db2.gz HKNPYKXJAOUAQP-OAHLLOKOSA-N 0 3 425.449 -0.208 20 0 IBADHN C[C@H](N)C(=O)N[C@@H](C)C(=O)N1CCCn2c(=O)cc(CNC(=O)c3ccco3)nc2C1 ZINC001159790710 1073234763 /nfs/dbraw/zinc/23/47/63/1073234763.db2.gz LQBXAJKANHXWEU-STQMWFEESA-N 0 3 430.465 -0.650 20 0 IBADHN C[S@](=O)CC[C@H](N)C(=O)N1CCCn2c(=O)cc(CNC(=O)c3ccco3)nc2C1 ZINC001159790798 1073234842 /nfs/dbraw/zinc/23/48/42/1073234842.db2.gz OEIYXFMCCPFWLH-KJEZJMDVSA-N 0 3 435.506 -0.406 20 0 IBADHN C[S@@](=O)CC[C@H](N)C(=O)N1CCCn2c(=O)cc(CNC(=O)c3ccco3)nc2C1 ZINC001159790799 1073234735 /nfs/dbraw/zinc/23/47/35/1073234735.db2.gz OEIYXFMCCPFWLH-NGFNCXNUSA-N 0 3 435.506 -0.406 20 0 IBADHN COC(=O)CC[C@H](N)C(=O)N1CCCn2c(=O)cc(CNC(=O)c3ccco3)nc2C1 ZINC001159790984 1073234885 /nfs/dbraw/zinc/23/48/85/1073234885.db2.gz RMGUJBYYLCLJHJ-AWEZNQCLSA-N 0 3 431.449 -0.221 20 0 IBADHN COC(=O)CC[C@@H](N)C(=O)N1CCCn2c(=O)cc(CNC(=O)c3ccco3)nc2C1 ZINC001159790985 1073234785 /nfs/dbraw/zinc/23/47/85/1073234785.db2.gz RMGUJBYYLCLJHJ-CQSZACIVSA-N 0 3 431.449 -0.221 20 0 IBADHN NC(=O)NCCC[C@H](N)C(=O)N1CCCn2c(=O)cc(CNC(=O)c3ccco3)nc2C1 ZINC001159791151 1073235270 /nfs/dbraw/zinc/23/52/70/1073235270.db2.gz UBXIBENNVSIUIE-AWEZNQCLSA-N 0 3 445.480 -0.726 20 0 IBADHN Cn1cncc1C[C@H](N)C(=O)N1CCCn2c(=O)cc(CNC(=O)c3ccco3)nc2C1 ZINC001159791153 1073235400 /nfs/dbraw/zinc/23/54/00/1073235400.db2.gz UCLAGVGRDQIYPY-INIZCTEOSA-N 0 3 439.476 -0.198 20 0 IBADHN C[C@H](N)C(=O)N[C@H](CCC(=O)N1CCC2(CC1)Cc1ccccc1CN(C)C2=O)C(N)=O ZINC001159796967 1073235407 /nfs/dbraw/zinc/23/54/07/1073235407.db2.gz BLQXHGXEFYZIPP-MAUKXSAKSA-N 0 3 443.548 -0.093 20 0 IBADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC2(CC1)Cc1ccccc1CN(C)C2=O ZINC001159797173 1073235426 /nfs/dbraw/zinc/23/54/26/1073235426.db2.gz FEXOMLYORYJGLT-YOEHRIQHSA-N 0 3 429.521 -0.483 20 0 IBADHN O=C(NCc1ccccn1)[C@@]12CCO[C@@H]1CCN(C(=O)[C@H]1CCS(=O)(=O)C13CNC3)C2 ZINC001159810631 1073235365 /nfs/dbraw/zinc/23/53/65/1073235365.db2.gz IITLMNBODYOHAJ-MBOZVWFJSA-N 0 3 448.545 -0.518 20 0 IBADHN O=C(NCc1ccccn1)[C@@]12CCO[C@@H]1CCN(C(=O)[C@@H]1CCS(=O)(=O)C13CNC3)C2 ZINC001159810632 1073235418 /nfs/dbraw/zinc/23/54/18/1073235418.db2.gz IITLMNBODYOHAJ-SQGPQFPESA-N 0 3 448.545 -0.518 20 0 IBADHN C[C@H](N)C(=O)N[C@H](CCC(=O)N1CCC2(C[C@H](C(=O)NC3CCC3)CO2)CC1)C(N)=O ZINC001159816734 1073235805 /nfs/dbraw/zinc/23/58/05/1073235805.db2.gz CYHGECNUKXFZDP-OFQRWUPVSA-N 0 3 437.541 -0.850 20 0 IBADHN C[C@H](N)C(=O)N[C@H](CCC(=O)N1CCC2(C[C@@H](C(=O)NC3CCC3)CO2)CC1)C(N)=O ZINC001159816736 1073235842 /nfs/dbraw/zinc/23/58/42/1073235842.db2.gz CYHGECNUKXFZDP-SQWLQELKSA-N 0 3 437.541 -0.850 20 0 IBADHN O=C(NC1CCC1)[C@H]1COC2(C1)CCN(C(=O)[C@H]1CCS(=O)(=O)C13CNC3)CC2 ZINC001159818821 1073235683 /nfs/dbraw/zinc/23/56/83/1073235683.db2.gz PWOSUTJQXNDDTG-GDBMZVCRSA-N 0 3 425.551 -0.171 20 0 IBADHN O=C(NC1CCC1)[C@@H]1COC2(C1)CCN(C(=O)[C@H]1CCS(=O)(=O)C13CNC3)CC2 ZINC001159818822 1073235894 /nfs/dbraw/zinc/23/58/94/1073235894.db2.gz PWOSUTJQXNDDTG-GOEBONIOSA-N 0 3 425.551 -0.171 20 0 IBADHN O=C(NC1CCC1)[C@@H]1COC2(C1)CCN(C(=O)[C@@H]1CCS(=O)(=O)C13CNC3)CC2 ZINC001159818823 1073235666 /nfs/dbraw/zinc/23/56/66/1073235666.db2.gz PWOSUTJQXNDDTG-HOCLYGCPSA-N 0 3 425.551 -0.171 20 0 IBADHN O=C(NC1CCC1)[C@H]1COC2(C1)CCN(C(=O)[C@@H]1CCS(=O)(=O)C13CNC3)CC2 ZINC001159818824 1073235776 /nfs/dbraw/zinc/23/57/76/1073235776.db2.gz PWOSUTJQXNDDTG-ZBFHGGJFSA-N 0 3 425.551 -0.171 20 0 IBADHN O=C([C@@H]1COC2(CNC2)CN1)N1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)N2c2nccs2)C1 ZINC001159822615 1073236306 /nfs/dbraw/zinc/23/63/06/1073236306.db2.gz BMKSJVJIGSRQFK-QZWWFDLISA-N 0 3 444.565 -0.439 20 0 IBADHN O=C([C@H]1COC2(CNC2)CN1)N1CC[C@H]2[C@H](C[C@@H](Cn3cncn3)N2c2nccs2)C1 ZINC001159822618 1073236199 /nfs/dbraw/zinc/23/61/99/1073236199.db2.gz BMKSJVJIGSRQFK-TWMKSMIVSA-N 0 3 444.565 -0.439 20 0 IBADHN O=C(NC[C@@H]1CCC[C@]2(CCN(C(=O)[C@H]3COC4(CNC4)CN3)C2)O1)c1cscn1 ZINC001159843302 1073236170 /nfs/dbraw/zinc/23/61/70/1073236170.db2.gz VVIJKKTVIGQUQY-QMTMVMCOSA-N 0 3 435.550 -0.257 20 0 IBADHN O=C(NC[C@@H]1CCC[C@]2(CCN(C(=O)[C@@H]3COC4(CNC4)CN3)C2)O1)c1cscn1 ZINC001159843303 1073236315 /nfs/dbraw/zinc/23/63/15/1073236315.db2.gz VVIJKKTVIGQUQY-YZVOILCLSA-N 0 3 435.550 -0.257 20 0 IBADHN CC(C)C(=O)N[C@H]1COCCC12CCN(C(=O)[C@H]1CCS(=O)(=O)C13CNC3)CC2 ZINC001159844173 1073236771 /nfs/dbraw/zinc/23/67/71/1073236771.db2.gz CRHGLORGBSKSNX-CVEARBPZSA-N 0 3 427.567 -0.067 20 0 IBADHN CC(C)C(=O)N[C@H]1COCCC12CCN(C(=O)[C@@H]1CCS(=O)(=O)C13CNC3)CC2 ZINC001159844174 1073236818 /nfs/dbraw/zinc/23/68/18/1073236818.db2.gz CRHGLORGBSKSNX-HOTGVXAUSA-N 0 3 427.567 -0.067 20 0 IBADHN CC(C)C(=O)N[C@@H]1COCCC12CCN(C(=O)[C@H]1CCS(=O)(=O)C13CNC3)CC2 ZINC001159844175 1073236737 /nfs/dbraw/zinc/23/67/37/1073236737.db2.gz CRHGLORGBSKSNX-HZPDHXFCSA-N 0 3 427.567 -0.067 20 0 IBADHN CC(C)C(=O)N[C@@H]1COCCC12CCN(C(=O)[C@@H]1CCS(=O)(=O)C13CNC3)CC2 ZINC001159844176 1073236729 /nfs/dbraw/zinc/23/67/29/1073236729.db2.gz CRHGLORGBSKSNX-JKSUJKDBSA-N 0 3 427.567 -0.067 20 0 IBADHN CC(C)C(=O)N[C@@H]1COCCC12CCN(C(=O)CC[C@@H](NC(=O)[C@H](C)N)C(N)=O)CC2 ZINC001159845727 1073236838 /nfs/dbraw/zinc/23/68/38/1073236838.db2.gz RIBMNEJUMJIXBW-ARFHVFGLSA-N 0 3 439.557 -0.746 20 0 IBADHN CC(C)C(=O)N[C@H]1COCCC12CCN(C(=O)CC[C@@H](NC(=O)[C@H](C)N)C(N)=O)CC2 ZINC001159845729 1073236832 /nfs/dbraw/zinc/23/68/32/1073236832.db2.gz RIBMNEJUMJIXBW-XHSDSOJGSA-N 0 3 439.557 -0.746 20 0 IBADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1C[C@@H]2CC[C@H](C1)C2C(=O)Nc1cccc(F)c1 ZINC001159866344 1073237199 /nfs/dbraw/zinc/23/71/99/1073237199.db2.gz BMIBQHWCCGBXDT-FDQHIWOMSA-N 0 3 433.484 -0.044 20 0 IBADHN C[C@H](N)C(=O)N1[C@H](C(=O)N2CCO[C@@]3(CCCN(c4cnccn4)C3)C2)COC1(C)C ZINC001159887272 1073237739 /nfs/dbraw/zinc/23/77/39/1073237739.db2.gz UPRGLIRELKFPPD-CKJXQJPGSA-N 0 3 432.525 -0.015 20 0 IBADHN C[C@H](N)C(=O)N1[C@H](C(=O)N2CCO[C@]3(CCCN(c4cnccn4)C3)C2)COC1(C)C ZINC001159887273 1073237700 /nfs/dbraw/zinc/23/77/00/1073237700.db2.gz UPRGLIRELKFPPD-QYWGDWMGSA-N 0 3 432.525 -0.015 20 0 IBADHN CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1C[C@H]2CN(C)C(=O)[C@H]2C1 ZINC001159887275 1073237645 /nfs/dbraw/zinc/23/76/45/1073237645.db2.gz UTSIWPUQBAIXQN-LXZJYRNTSA-N 0 3 443.548 -0.640 20 0 IBADHN C[C@H](NC(=O)[C@@H](N)CO)C(=O)N1CCC(F)(F)[C@]2(CCN(Cc3ccccn3)C2)C1 ZINC001159888491 1073237629 /nfs/dbraw/zinc/23/76/29/1073237629.db2.gz PRHDSNITHKURQH-QOKNQOGYSA-N 0 3 425.480 -0.034 20 0 IBADHN C[C@H](NC(=O)[C@@H](N)CO)C(=O)N1CCC(F)(F)[C@@]2(CCN(Cc3ccccn3)C2)C1 ZINC001159888492 1073237561 /nfs/dbraw/zinc/23/75/61/1073237561.db2.gz PRHDSNITHKURQH-URLQWDBASA-N 0 3 425.480 -0.034 20 0 IBADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCc2c(CN(C)Cc3ccco3)cncc2C1 ZINC001159898812 1073237672 /nfs/dbraw/zinc/23/76/72/1073237672.db2.gz YOYURJSCTGOAJD-LIRRHRJNSA-N 0 3 442.520 -0.101 20 0 IBADHN Cc1ncccc1NC(=O)[C@@H]1CCO[C@@H]2CCN(C(=O)[C@H]3COC4(CNC4)CN3)C[C@@H]21 ZINC001159908820 1073237747 /nfs/dbraw/zinc/23/77/47/1073237747.db2.gz KOJIKWZJFNQNAT-PSBWJHGTSA-N 0 3 429.521 -0.087 20 0 IBADHN Cc1ncccc1NC(=O)[C@@H]1CCO[C@@H]2CCN(C(=O)[C@@H]3COC4(CNC4)CN3)C[C@@H]21 ZINC001159908823 1073237482 /nfs/dbraw/zinc/23/74/82/1073237482.db2.gz KOJIKWZJFNQNAT-ZAWLATJESA-N 0 3 429.521 -0.087 20 0 IBADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCO[C@H]2[C@H]1CC[C@H]2COCc1nccs1 ZINC001159913040 1073237713 /nfs/dbraw/zinc/23/77/13/1073237713.db2.gz YTMVUDOIDOYNMI-CKENWRIRSA-N 0 3 439.538 -0.627 20 0 IBADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCO[C@@H]2[C@H](COCc3nccs3)CC[C@@H]21 ZINC001159913041 1073238094 /nfs/dbraw/zinc/23/80/94/1073238094.db2.gz YTMVUDOIDOYNMI-GGOFEBJYSA-N 0 3 439.538 -0.627 20 0 IBADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCO[C@@H]2[C@@H](COCc3nccs3)CC[C@@H]21 ZINC001159913042 1073238176 /nfs/dbraw/zinc/23/81/76/1073238176.db2.gz YTMVUDOIDOYNMI-IQNXINDISA-N 0 3 439.538 -0.627 20 0 IBADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCO[C@@H]2[C@@H](COCc3nccs3)CC[C@H]21 ZINC001159913043 1073238047 /nfs/dbraw/zinc/23/80/47/1073238047.db2.gz YTMVUDOIDOYNMI-RKWLLSJHSA-N 0 3 439.538 -0.627 20 0 IBADHN COCCN1CCO[C@H]2CN(C(=O)[C@@H]3COC(C)(C)N3C(=O)[C@H](C)N)CC[C@H]2C1=O ZINC001159918136 1073238614 /nfs/dbraw/zinc/23/86/14/1073238614.db2.gz QMFIGGRCSRNFMR-FZKCQIBNSA-N 0 3 426.514 -0.981 20 0 IBADHN COCCN1CCO[C@H]2CN(C(=O)[C@H](N)C3CCC4(CC3)OCCO4)CC[C@H]2C1=O ZINC001159918516 1073238527 /nfs/dbraw/zinc/23/85/27/1073238527.db2.gz UWDHJNSGHKORSV-FGTMMUONSA-N 0 3 425.526 -0.031 20 0 IBADHN COCCN1CCO[C@H]2CN(C(=O)[C@@H](N)C3CCC4(CC3)OCCO4)CC[C@H]2C1=O ZINC001159918517 1073238665 /nfs/dbraw/zinc/23/86/65/1073238665.db2.gz UWDHJNSGHKORSV-SQNIBIBYSA-N 0 3 425.526 -0.031 20 0 IBADHN COCCN1CCO[C@H]2CN(C(=O)[C@@H](N)CCCNC(=O)c3cnccn3)CC[C@H]2C1=O ZINC001159919023 1073238632 /nfs/dbraw/zinc/23/86/32/1073238632.db2.gz YWZOMUIESQOLJS-RYRKJORJSA-N 0 3 448.524 -0.964 20 0 IBADHN CC(=O)NCc1nnc2n1CCN(C(=O)[C@@H](N)CCCCNC(=O)c1ccccn1)C2 ZINC001159929765 1073239096 /nfs/dbraw/zinc/23/90/96/1073239096.db2.gz MIGBXVQDEJJANH-HNNXBMFYSA-N 0 3 428.497 -0.421 20 0 IBADHN CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCSC)C(=O)N1CCn2c(CNC(C)=O)nnc2C1 ZINC001159929965 1073238875 /nfs/dbraw/zinc/23/88/75/1073238875.db2.gz MMNGNBULHVGZJS-JDFRZJQESA-N 0 3 439.586 -0.132 20 0 IBADHN COc1ccc2c(C[C@H](N)C(=O)N3CCn4c(CNC(C)=O)nnc4C3)cc(=O)oc2c1 ZINC001159930822 1073238985 /nfs/dbraw/zinc/23/89/85/1073238985.db2.gz XZUBPBHIRLFEJF-INIZCTEOSA-N 0 3 440.460 -0.059 20 0 IBADHN C[C@H](N)C(=O)N[C@H](CCC(=O)N1CC[C@H]2[C@@H](CC(=O)NC3CCC3)OC[C@H]2C1)C(N)=O ZINC001159938823 1073239019 /nfs/dbraw/zinc/23/90/19/1073239019.db2.gz OFBBHFFZYAKCAO-IHWGESPNSA-N 0 3 437.541 -0.994 20 0 IBADHN O=C(C[C@H]1OC[C@H]2CN(C(=O)[C@H]3CCS(=O)(=O)C34CNC4)CC[C@@H]12)NC1CCC1 ZINC001159939222 1073239078 /nfs/dbraw/zinc/23/90/78/1073239078.db2.gz QPNBAMFENVYOJC-MWQQHZPXSA-N 0 3 425.551 -0.315 20 0 IBADHN O=C(C[C@H]1OC[C@H]2CN(C(=O)[C@@H]3CCS(=O)(=O)C34CNC4)CC[C@@H]12)NC1CCC1 ZINC001159939223 1073238925 /nfs/dbraw/zinc/23/89/25/1073238925.db2.gz QPNBAMFENVYOJC-MXASKKJJSA-N 0 3 425.551 -0.315 20 0 IBADHN CN(C)CCn1nccc1NC(=O)CNS(=O)(=O)c1cccc(S(C)(=O)=O)c1 ZINC001159944945 1073239881 /nfs/dbraw/zinc/23/98/81/1073239881.db2.gz QKRYPMGECPTUFN-UHFFFAOYSA-N 0 3 429.524 -0.235 20 0 IBADHN Cn1ccc(CN2CCOCC23CCN(C(=O)[C@@H]2CCS(=O)(=O)C24CNC4)CC3)n1 ZINC001159961463 1073239812 /nfs/dbraw/zinc/23/98/12/1073239812.db2.gz JPXQDAWDQYCXOZ-KRWDZBQOSA-N 0 3 437.566 -0.610 20 0 IBADHN Cn1ccc(CN2CCOCC23CCN(C(=O)[C@H]2CCS(=O)(=O)C24CNC4)CC3)n1 ZINC001159961464 1073239793 /nfs/dbraw/zinc/23/97/93/1073239793.db2.gz JPXQDAWDQYCXOZ-QGZVFWFLSA-N 0 3 437.566 -0.610 20 0 IBADHN C[C@H](N)C(=O)N1[C@H](C(=O)N2CCC3(CC2)COCCN3Cc2ccn(C)n2)COC1(C)C ZINC001159963033 1073239907 /nfs/dbraw/zinc/23/99/07/1073239907.db2.gz WPSUXUZQPZOMGQ-WMZOPIPTSA-N 0 3 448.568 -0.076 20 0 IBADHN CC(=O)N1CC[C@]2(c3ccccc3)CCN(C(=O)CC[C@@H](NC(=O)[C@H](C)N)C(N)=O)C[C@H]12 ZINC001159992388 1073240409 /nfs/dbraw/zinc/24/04/09/1073240409.db2.gz MNAGTJMZLSYNKJ-HZNUMKHLSA-N 0 3 443.548 -0.125 20 0 IBADHN CC(=O)N1CC[C@@]2(c3ccccc3)CCN(C(=O)CC[C@@H](NC(=O)[C@H](C)N)C(N)=O)C[C@@H]12 ZINC001159992389 1073240476 /nfs/dbraw/zinc/24/04/76/1073240476.db2.gz MNAGTJMZLSYNKJ-LEWJJULVSA-N 0 3 443.548 -0.125 20 0 IBADHN CC(=O)N1CC[C@]2(c3ccccc3)CCN(C(=O)CC[C@@H](NC(=O)[C@H](C)N)C(N)=O)C[C@@H]12 ZINC001159992390 1073240394 /nfs/dbraw/zinc/24/03/94/1073240394.db2.gz MNAGTJMZLSYNKJ-LONFEIEESA-N 0 3 443.548 -0.125 20 0 IBADHN CC(=O)N1CC[C@@]2(c3ccccc3)CCN(C(=O)CC[C@@H](NC(=O)[C@H](C)N)C(N)=O)C[C@H]12 ZINC001159992391 1073240235 /nfs/dbraw/zinc/24/02/35/1073240235.db2.gz MNAGTJMZLSYNKJ-NSNOHRKYSA-N 0 3 443.548 -0.125 20 0 IBADHN CC(=O)N1CC[C@]2(c3ccccc3)CCN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N)C[C@@H]12 ZINC001159993028 1073240296 /nfs/dbraw/zinc/24/02/96/1073240296.db2.gz NXTLWQJCZBNVOC-FDFFUELDSA-N 0 3 429.521 -0.515 20 0 IBADHN CC(=O)N1CC[C@]2(c3ccccc3)CCN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N)C[C@H]12 ZINC001159993029 1073240252 /nfs/dbraw/zinc/24/02/52/1073240252.db2.gz NXTLWQJCZBNVOC-GQAKTHPZSA-N 0 3 429.521 -0.515 20 0 IBADHN CC(=O)N1CC[C@@]2(c3ccccc3)CCN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N)C[C@@H]12 ZINC001159993030 1073240348 /nfs/dbraw/zinc/24/03/48/1073240348.db2.gz NXTLWQJCZBNVOC-SVJMLJPDSA-N 0 3 429.521 -0.515 20 0 IBADHN CC(=O)N1CC[C@@]2(c3ccccc3)CCN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N)C[C@H]12 ZINC001159993031 1073240466 /nfs/dbraw/zinc/24/04/66/1073240466.db2.gz NXTLWQJCZBNVOC-XKTJCTHUSA-N 0 3 429.521 -0.515 20 0 IBADHN O=C([C@H]1CCS(=O)(=O)C12CNC2)N1CCC2(CC1)C(=O)NCCN2Cc1ccccc1 ZINC001159995843 1073240210 /nfs/dbraw/zinc/24/02/10/1073240210.db2.gz ZVDVRHYPJWWMCC-GOSISDBHSA-N 0 3 446.573 -0.244 20 0 IBADHN O=C([C@@H]1CCS(=O)(=O)C12CNC2)N1CCC2(CC1)C(=O)NCCN2Cc1ccccc1 ZINC001159995845 1073240328 /nfs/dbraw/zinc/24/03/28/1073240328.db2.gz ZVDVRHYPJWWMCC-SFHVURJKSA-N 0 3 446.573 -0.244 20 0 IBADHN CN(C)S(=O)(=O)N1CC[C@@H]2CN(C(=O)[C@@H](N)C3CCC4(CC3)OCCO4)C[C@H]2C1 ZINC001160008516 1073240898 /nfs/dbraw/zinc/24/08/98/1073240898.db2.gz YASJLXZWMLLKSY-IKGGRYGDSA-N 0 3 430.571 -0.166 20 0 IBADHN CN(C)S(=O)(=O)N1CC[C@@H]2CN(C(=O)[C@H](N)C3CCC4(CC3)OCCO4)C[C@H]2C1 ZINC001160008517 1073240773 /nfs/dbraw/zinc/24/07/73/1073240773.db2.gz YASJLXZWMLLKSY-IXDOHACOSA-N 0 3 430.571 -0.166 20 0 IBADHN O=C(N[C@H]1CN(C(=O)[C@H]2CCS(=O)(=O)C23CNC3)[C@H]2CCCO[C@@H]12)c1cscn1 ZINC001160016194 1073240801 /nfs/dbraw/zinc/24/08/01/1073240801.db2.gz ILPXRRMYIPHPTD-DHMWGJHJSA-N 0 3 440.547 -0.592 20 0 IBADHN O=C(N[C@H]1CN(C(=O)[C@@H]2CCS(=O)(=O)C23CNC3)[C@H]2CCCO[C@@H]12)c1cscn1 ZINC001160016195 1073241376 /nfs/dbraw/zinc/24/13/76/1073241376.db2.gz ILPXRRMYIPHPTD-JURCDPSOSA-N 0 3 440.547 -0.592 20 0 IBADHN C[C@H](N)C(=O)N[C@H](CCC(=O)N1CCCn2cnc(COc3cccnc3)c2C1)C(N)=O ZINC001160017032 1073241280 /nfs/dbraw/zinc/24/12/80/1073241280.db2.gz ODDKRDHCHRECHY-GOEBONIOSA-N 0 3 443.508 -0.313 20 0 IBADHN O=C([C@@H]1CCS(=O)(=O)C12CNC2)N1CCC2(CC1)CN(Cc1cccnc1)C(=O)CO2 ZINC001160018315 1073241303 /nfs/dbraw/zinc/24/13/03/1073241303.db2.gz KBZTZLHWIVYNGO-KRWDZBQOSA-N 0 3 448.545 -0.422 20 0 IBADHN O=C([C@H]1CCS(=O)(=O)C12CNC2)N1CCC2(CC1)CN(Cc1cccnc1)C(=O)CO2 ZINC001160018316 1073241347 /nfs/dbraw/zinc/24/13/47/1073241347.db2.gz KBZTZLHWIVYNGO-QGZVFWFLSA-N 0 3 448.545 -0.422 20 0 IBADHN Cc1ccc2c(n1)N(Cc1cccnc1)CCN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N)C2 ZINC001160034365 1073241656 /nfs/dbraw/zinc/24/16/56/1073241656.db2.gz BCYJRFVYSIBILT-YJBOKZPZSA-N 0 3 439.520 -0.159 20 0 IBADHN Cc1nc(Cn2c(=O)ccc3c2CCN(C(=O)[C@@H]2COC4(CNC4)CN2)CC3)cs1 ZINC001160035292 1073241811 /nfs/dbraw/zinc/24/18/11/1073241811.db2.gz KJJMNTLKVIIKND-KRWDZBQOSA-N 0 3 429.546 -0.081 20 0 IBADHN Cc1nc(Cn2c(=O)ccc3c2CCN(C(=O)[C@H]2COC4(CNC4)CN2)CC3)cs1 ZINC001160035303 1073241861 /nfs/dbraw/zinc/24/18/61/1073241861.db2.gz KJJMNTLKVIIKND-QGZVFWFLSA-N 0 3 429.546 -0.081 20 0 IBADHN C[C@H](N)C(=O)N1[C@H](C(=O)N2CC[C@]3(C2)C[C@H](NC(=O)N(C)C)CCO3)COC1(C)C ZINC001160049611 1073241716 /nfs/dbraw/zinc/24/17/16/1073241716.db2.gz IJUSZAZNSVQRGY-LDNFRZNASA-N 0 3 425.530 -0.282 20 0 IBADHN C[C@H](N)C(=O)N[C@H](CCC(=O)N1C[C@@H]2COC[C@]2(COCc2ccncc2)C1)C(N)=O ZINC001160049829 1073241774 /nfs/dbraw/zinc/24/17/74/1073241774.db2.gz LXWGUNQHBLHLGU-CTRXZIQJSA-N 0 3 433.509 -0.829 20 0 IBADHN C[C@H](N)C(=O)N[C@H](CCC(=O)N(Cc1cn2c(n1)CNCC2)c1ccccn1)C(N)=O ZINC001160065414 1073242775 /nfs/dbraw/zinc/24/27/75/1073242775.db2.gz JHIVJVGFHBGVJE-DZGCQCFKSA-N 0 3 428.497 -0.988 20 0 IBADHN Cn1cc(C(=O)NC[C@H]2OC[C@@H]3CN(C(=O)[C@@H]4CNCc5ccnn5C4)CC[C@@H]32)cn1 ZINC001160076965 1073242810 /nfs/dbraw/zinc/24/28/10/1073242810.db2.gz FEVCUZBZTHZAHN-KCITZHQASA-N 0 3 427.509 -0.371 20 0 IBADHN Cn1cc(C(=O)NC[C@H]2OC[C@@H]3CN(C(=O)[C@H]4CNCc5ccnn5C4)CC[C@@H]32)cn1 ZINC001160076966 1073242930 /nfs/dbraw/zinc/24/29/30/1073242930.db2.gz FEVCUZBZTHZAHN-PBWTXFEYSA-N 0 3 427.509 -0.371 20 0 IBADHN Cn1cc(C(=O)NC[C@H]2OC[C@@H]3CN(C(=O)CN4CCCC[C@H](N)C4=O)CC[C@@H]32)cn1 ZINC001160084311 1073242720 /nfs/dbraw/zinc/24/27/20/1073242720.db2.gz FNDNZFALOWOSSS-XLAORIBOSA-N 0 3 432.525 -0.647 20 0 IBADHN CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)N1CC[C@H]2[C@H](CO[C@@H]2CNC(=O)c2cnn(C)c2)C1 ZINC001160084734 1073242832 /nfs/dbraw/zinc/24/28/32/1073242832.db2.gz GKZANMCSXNGZMH-XFUTXVRSSA-N 0 3 448.568 -0.109 20 0 IBADHN C[C@H](N)C(=O)N1[C@H](C(=O)N2C[C@@H](NC(=O)c3cccn3C)[C@H]3COC[C@H]32)COC1(C)C ZINC001160084932 1073243364 /nfs/dbraw/zinc/24/33/64/1073243364.db2.gz GHUDSFAKDSJPAM-SZVRAQGESA-N 0 3 433.509 -0.709 20 0 IBADHN CC[C@H](C)[C@H](N)C(=O)NCC(=O)N1CC[C@H]2[C@H](CO[C@@H]2CNC(=O)c2cnn(C)c2)C1 ZINC001160085154 1073243180 /nfs/dbraw/zinc/24/31/80/1073243180.db2.gz INGSPYIIEZTLMZ-HXOKRWIQSA-N 0 3 434.541 -0.497 20 0 IBADHN CC(=O)NCCCC[C@H](N)C(=O)N1CC[C@H]2[C@H](CO[C@@H]2CNC(=O)c2cnn(C)c2)C1 ZINC001160085842 1073243329 /nfs/dbraw/zinc/24/33/29/1073243329.db2.gz NZWOUAWVYXQJRN-CADBVGFASA-N 0 3 434.541 -0.353 20 0 IBADHN C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N1CC[C@H]2[C@H](CO[C@@H]2CNC(=O)c2cnn(C)c2)C1 ZINC001160086013 1073243190 /nfs/dbraw/zinc/24/31/90/1073243190.db2.gz QDHDKCNDUXVEMJ-PEJOBZMASA-N 0 3 432.525 -0.648 20 0 IBADHN CC(C)C[C@H](N)C(=O)NCC(=O)N1CC[C@H]2[C@H](CO[C@@H]2CNC(=O)c2cnn(C)c2)C1 ZINC001160086396 1073243664 /nfs/dbraw/zinc/24/36/64/1073243664.db2.gz SNLUPARMFFYVGX-XLAORIBOSA-N 0 3 434.541 -0.497 20 0 IBADHN C[C@H](N)C(=O)N[C@H](CCC(=O)N1CC[C@]2(C[C@@H]2C(=O)NCc2cccnc2)C1)C(N)=O ZINC001160086628 1073243703 /nfs/dbraw/zinc/24/37/03/1073243703.db2.gz YWHPYQLSCBKMRR-FAIQAVJNSA-N 0 3 430.509 -0.966 20 0 IBADHN C[C@H](N)C(=O)N[C@H](CCC(=O)N1CC[C@@]2(C[C@H]2C(=O)NCc2cccnc2)C1)C(N)=O ZINC001160086629 1073243728 /nfs/dbraw/zinc/24/37/28/1073243728.db2.gz YWHPYQLSCBKMRR-RYSHRAHSSA-N 0 3 430.509 -0.966 20 0 IBADHN C[C@H](N)C(=O)N[C@H](CCC(=O)N1CC[C@]2(C[C@H]2C(=O)NCc2cccnc2)C1)C(N)=O ZINC001160086630 1073243747 /nfs/dbraw/zinc/24/37/47/1073243747.db2.gz YWHPYQLSCBKMRR-VHQFLLTFSA-N 0 3 430.509 -0.966 20 0 IBADHN C[C@H](N)C(=O)N[C@H](CCC(=O)N1CC[C@@]2(C[C@@H]2C(=O)NCc2cccnc2)C1)C(N)=O ZINC001160086632 1073243892 /nfs/dbraw/zinc/24/38/92/1073243892.db2.gz YWHPYQLSCBKMRR-WRUKREGBSA-N 0 3 430.509 -0.966 20 0 IBADHN CCOC(=O)c1cnc2cc(Nc3ccn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4N)c(=O)n3)[nH]cc1-2 ZINC001160092824 1073246230 /nfs/dbraw/zinc/24/62/30/1073246230.db2.gz MODDQLDSOYFCEN-BASLNEPJSA-N 0 3 430.421 -0.548 20 0 IBADHN O=C([C@H]1COC2(C1)CCN(C(=O)[C@@H]1CCS(=O)(=O)C13CNC3)CC2)N1CCOCC1 ZINC001160103652 1073247196 /nfs/dbraw/zinc/24/71/96/1073247196.db2.gz NYZQLJUCHKXDJB-CVEARBPZSA-N 0 3 441.550 -0.980 20 0 IBADHN O=C([C@@H]1COC2(C1)CCN(C(=O)[C@@H]1CCS(=O)(=O)C13CNC3)CC2)N1CCOCC1 ZINC001160103653 1073247319 /nfs/dbraw/zinc/24/73/19/1073247319.db2.gz NYZQLJUCHKXDJB-HOTGVXAUSA-N 0 3 441.550 -0.980 20 0 IBADHN O=C([C@H]1COC2(C1)CCN(C(=O)[C@H]1CCS(=O)(=O)C13CNC3)CC2)N1CCOCC1 ZINC001160103654 1073247295 /nfs/dbraw/zinc/24/72/95/1073247295.db2.gz NYZQLJUCHKXDJB-HZPDHXFCSA-N 0 3 441.550 -0.980 20 0 IBADHN O=C([C@H]1CCS(=O)(=O)C12CNC2)N1CCC2(C[C@H](C(=O)N3CCOCC3)CO2)CC1 ZINC001160103655 1073247237 /nfs/dbraw/zinc/24/72/37/1073247237.db2.gz NYZQLJUCHKXDJB-JKSUJKDBSA-N 0 3 441.550 -0.980 20 0 IBADHN C[C@H](N)C(=O)N[C@H](CCC(=O)N1CCC2(C[C@@H](c3cccnc3)C(=O)N2)CC1)C(N)=O ZINC001160111527 1073247819 /nfs/dbraw/zinc/24/78/19/1073247819.db2.gz ZXFXVOHYSMLWJX-CWRNSKLLSA-N 0 3 430.509 -0.856 20 0 IBADHN C[C@H](N)C(=O)N[C@H](CCC(=O)N1CCC2(C[C@H](c3cccnc3)C(=O)N2)CC1)C(N)=O ZINC001160111528 1073247785 /nfs/dbraw/zinc/24/77/85/1073247785.db2.gz ZXFXVOHYSMLWJX-NUEKZKHPSA-N 0 3 430.509 -0.856 20 0 IBADHN CN(Cc1ccccn1)C(=O)[C@@H]1C[C@@H]2[C@@H](CCN2C(=O)[C@@H]2CCS(=O)(=O)C23CNC3)O1 ZINC001160138040 1073248158 /nfs/dbraw/zinc/24/81/58/1073248158.db2.gz KPZZRMIHPYKHKX-MLHJIOFPSA-N 0 3 448.545 -0.425 20 0 IBADHN CN(Cc1ccccn1)C(=O)[C@@H]1C[C@@H]2[C@@H](CCN2C(=O)[C@H]2CCS(=O)(=O)C23CNC3)O1 ZINC001160138043 1073248189 /nfs/dbraw/zinc/24/81/89/1073248189.db2.gz KPZZRMIHPYKHKX-TVFCKZIOSA-N 0 3 448.545 -0.425 20 0 IBADHN CC(C)CNC(=O)c1nc2c(s1)CCN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N)CC2 ZINC001160148552 1073248337 /nfs/dbraw/zinc/24/83/37/1073248337.db2.gz VXZFYXJCCTYUMW-AAEUAGOBSA-N 0 3 438.554 -0.837 20 0 IBADHN N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N1C[C@H]2CN(CC3CC3)C[C@@H](C1)O2 ZINC001160155057 1073248258 /nfs/dbraw/zinc/24/82/58/1073248258.db2.gz DHKHZAXORPLKGY-YRPNKDGESA-N 0 3 432.521 -0.939 20 0 IBADHN CC(=O)N1CC(=O)NC[C@@]12CCN(C(=O)[C@@H](N)CCCCNC(=O)c1ccccn1)C2 ZINC001160171342 1073248358 /nfs/dbraw/zinc/24/83/58/1073248358.db2.gz KQRDSCHJDWJWRB-HRAATJIYSA-N 0 3 430.509 -0.742 20 0 IBADHN CC(=O)N1CC(=O)NC[C@]12CCN(C(=O)[C@@H](N)CCCCNC(=O)c1ccccn1)C2 ZINC001160171343 1073248141 /nfs/dbraw/zinc/24/81/41/1073248141.db2.gz KQRDSCHJDWJWRB-KKSFZXQISA-N 0 3 430.509 -0.742 20 0 IBADHN CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCSC)C(=O)N1CC[C@@]2(C1)CNC(=O)CN2C(C)=O ZINC001160172336 1073248741 /nfs/dbraw/zinc/24/87/41/1073248741.db2.gz CGZGRIWEHHUJIX-GGLFYADGSA-N 0 3 441.598 -0.453 20 0 IBADHN CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCSC)C(=O)N1CC[C@]2(C1)CNC(=O)CN2C(C)=O ZINC001160172337 1073248624 /nfs/dbraw/zinc/24/86/24/1073248624.db2.gz CGZGRIWEHHUJIX-NUADTHGBSA-N 0 3 441.598 -0.453 20 0 IBADHN COc1ccc2c(C[C@H](N)C(=O)N3CC[C@]4(C3)CNC(=O)CN4C(C)=O)cc(=O)oc2c1 ZINC001160174056 1073248676 /nfs/dbraw/zinc/24/86/76/1073248676.db2.gz QIWPXGLHAGFAAQ-HTAPYJJXSA-N 0 3 442.472 -0.379 20 0 IBADHN COc1ccc2c(C[C@H](N)C(=O)N3CC[C@@]4(C3)CNC(=O)CN4C(C)=O)cc(=O)oc2c1 ZINC001160174057 1073248689 /nfs/dbraw/zinc/24/86/89/1073248689.db2.gz QIWPXGLHAGFAAQ-JTSKRJEESA-N 0 3 442.472 -0.379 20 0 IBADHN CC(=O)N1[C@H](Cn2cccn2)C[C@@H]2CN(C(=O)[C@@H]3CCS(=O)(=O)C34CNC4)CC[C@@H]21 ZINC001160174232 1073248653 /nfs/dbraw/zinc/24/86/53/1073248653.db2.gz RXTLDNYJUJEBFO-OWSLCNJRSA-N 0 3 435.550 -0.502 20 0 IBADHN CC(=O)N1[C@H](Cn2cccn2)C[C@@H]2CN(C(=O)[C@H]3CCS(=O)(=O)C34CNC4)CC[C@@H]21 ZINC001160174233 1073249280 /nfs/dbraw/zinc/24/92/80/1073249280.db2.gz RXTLDNYJUJEBFO-XDNAFOTISA-N 0 3 435.550 -0.502 20 0 IBADHN C[C@H](N)C(=O)N[C@H](CCC(=O)N1CCc2onc(COc3ccccn3)c2C1)C(N)=O ZINC001160179583 1073249086 /nfs/dbraw/zinc/24/90/86/1073249086.db2.gz NPZBDFLCNXUUQG-GXTWGEPZSA-N 0 3 430.465 -0.369 20 0 IBADHN CC(C)C(=O)N1CCN(C(=O)[C@H]2CCS(=O)(=O)C23CNC3)C[C@]2(CCCC(=O)N2)C1 ZINC001160192370 1073249700 /nfs/dbraw/zinc/24/97/00/1073249700.db2.gz WKHJSZMDAVYMCT-BEFAXECRSA-N 0 3 440.566 -0.871 20 0 IBADHN CC(C)C(=O)N1CCN(C(=O)[C@H]2CCS(=O)(=O)C23CNC3)C[C@@]2(CCCC(=O)N2)C1 ZINC001160192371 1073249679 /nfs/dbraw/zinc/24/96/79/1073249679.db2.gz WKHJSZMDAVYMCT-DNVCBOLYSA-N 0 3 440.566 -0.871 20 0 IBADHN CC(C)C(=O)N1CCN(C(=O)[C@@H]2CCS(=O)(=O)C23CNC3)C[C@@]2(CCCC(=O)N2)C1 ZINC001160192372 1073249721 /nfs/dbraw/zinc/24/97/21/1073249721.db2.gz WKHJSZMDAVYMCT-HNAYVOBHSA-N 0 3 440.566 -0.871 20 0 IBADHN CC(C)C(=O)N1CCN(C(=O)[C@@H]2CCS(=O)(=O)C23CNC3)C[C@]2(CCCC(=O)N2)C1 ZINC001160192373 1073249645 /nfs/dbraw/zinc/24/96/45/1073249645.db2.gz WKHJSZMDAVYMCT-KXBFYZLASA-N 0 3 440.566 -0.871 20 0 IBADHN N[C@@H](CCCNC(=O)c1cnccn1)C(=O)N1CCCn2c(Cn3cccn3)nnc2C1 ZINC001160192702 1073249709 /nfs/dbraw/zinc/24/97/09/1073249709.db2.gz FABYUBPFIFHNJD-HNNXBMFYSA-N 0 3 438.496 -0.417 20 0 IBADHN CS(=O)(=O)N1C[C@@H]2CN(C(=O)[C@@H]3CCS(=O)(=O)C34CNC4)C[C@H]2c2ccccc21 ZINC001160202871 1073250164 /nfs/dbraw/zinc/25/01/64/1073250164.db2.gz NVTQZTGZLSUYLP-IMJJTQAJSA-N 0 3 439.559 -0.215 20 0 IBADHN CS(=O)(=O)N1C[C@@H]2CN(C(=O)[C@H]3CCS(=O)(=O)C34CNC4)C[C@H]2c2ccccc21 ZINC001160202872 1073250144 /nfs/dbraw/zinc/25/01/44/1073250144.db2.gz NVTQZTGZLSUYLP-NUEKZKHPSA-N 0 3 439.559 -0.215 20 0 IBADHN CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)N1C[C@H](NC(=O)c2nccn2C)[C@H]2OCCC[C@H]21 ZINC001160210102 1073250175 /nfs/dbraw/zinc/25/01/75/1073250175.db2.gz ARWHPMGDFIZVOA-SMLCLMEVSA-N 0 3 434.541 -0.214 20 0 IBADHN C[C@H](N)C(=O)N1[C@H](C(=O)N2C[C@H](NC(=O)c3nccn3C)[C@H]3OCCC[C@H]32)COC1(C)C ZINC001160211308 1073250153 /nfs/dbraw/zinc/25/01/53/1073250153.db2.gz JIRLKIOXNHBYDY-ARKGTOAJSA-N 0 3 448.524 -0.781 20 0 IBADHN C[C@H](N)C(=O)N[C@H](CCC(=O)N1C[C@H]2c3ccccc3[C@H](NC(=O)N(C)C)[C@H]2C1)C(N)=O ZINC001160226811 1073250597 /nfs/dbraw/zinc/25/05/97/1073250597.db2.gz AFOUJXCJYSSDTC-BHVNBLHESA-N 0 3 444.536 -0.348 20 0 IBADHN CC(C)C(=O)NC[C@@H]1CCC[C@]2(CCN(C(=O)CC[C@@H](NC(=O)[C@H](C)N)C(N)=O)C2)O1 ZINC001160226821 1073250507 /nfs/dbraw/zinc/25/05/07/1073250507.db2.gz AKJTWOKELLFQMJ-GXYOHSSGSA-N 0 3 439.557 -0.604 20 0 IBADHN CC(C)C(=O)NC[C@@H]1CCC[C@]2(CCN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N)C2)O1 ZINC001160228733 1073250674 /nfs/dbraw/zinc/25/06/74/1073250674.db2.gz UNJCKWUHRLVGGY-VPCSNGCSSA-N 0 3 425.530 -0.994 20 0 IBADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1C[C@H]2c3ccccc3[C@H](NC(=O)N(C)C)[C@H]2C1 ZINC001160228907 1073250552 /nfs/dbraw/zinc/25/05/52/1073250552.db2.gz XFRSPTKATGHQMF-IKKBDOILSA-N 0 3 430.509 -0.738 20 0 IBADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC(F)(F)[C@@]2(CCN(c3ncccn3)C2)C1 ZINC001160229573 1073250662 /nfs/dbraw/zinc/25/06/62/1073250662.db2.gz APGWZMIUAPBVKV-LXIYXOSZSA-N 0 3 439.467 -0.752 20 0 IBADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC(F)(F)[C@]2(CCN(c3ncccn3)C2)C1 ZINC001160229574 1073250531 /nfs/dbraw/zinc/25/05/31/1073250531.db2.gz APGWZMIUAPBVKV-ZJNRKIDTSA-N 0 3 439.467 -0.752 20 0 IBADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1Cc2nccn2C[C@@H](COCc2cccnc2)C1 ZINC001160234232 1073251015 /nfs/dbraw/zinc/25/10/15/1073251015.db2.gz HCJUYCZQVOOXLK-UAGQMJEPSA-N 0 3 443.508 -0.839 20 0 IBADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1Cc2nccn2C[C@H](COCc2cccnc2)C1 ZINC001160234236 1073251047 /nfs/dbraw/zinc/25/10/47/1073251047.db2.gz HCJUYCZQVOOXLK-XIRDDKMYSA-N 0 3 443.508 -0.839 20 0 IBADHN O=C([C@@H]1CCS(=O)(=O)C12CNC2)n1c([C@@H]2COCCN2)ncc/c1=N\Cc1ccco1 ZINC001160257547 1073250959 /nfs/dbraw/zinc/25/09/59/1073250959.db2.gz QFCLEPWNQWNEPF-BYPFCDSWSA-N 0 3 447.517 -0.345 20 0 IBADHN O=C([C@H]1CCS(=O)(=O)C12CNC2)n1c([C@H]2COCCN2)ncc/c1=N\Cc1ccco1 ZINC001160257548 1073250988 /nfs/dbraw/zinc/25/09/88/1073250988.db2.gz QFCLEPWNQWNEPF-ILWUXDPISA-N 0 3 447.517 -0.345 20 0 IBADHN O=C([C@@H]1CCS(=O)(=O)C12CNC2)n1c([C@H]2COCCN2)ncc/c1=N\Cc1ccco1 ZINC001160257549 1073251060 /nfs/dbraw/zinc/25/10/60/1073251060.db2.gz QFCLEPWNQWNEPF-QPZCEUDHSA-N 0 3 447.517 -0.345 20 0 IBADHN O=C([C@H]1CCS(=O)(=O)C12CNC2)n1c([C@@H]2COCCN2)ncc/c1=N\Cc1ccco1 ZINC001160257550 1073250977 /nfs/dbraw/zinc/25/09/77/1073250977.db2.gz QFCLEPWNQWNEPF-UIDRDQRISA-N 0 3 447.517 -0.345 20 0 IBADHN CS(=O)(=O)N1CC[C@@]2(c3ccccc3)CCN(C(=O)[C@@H](N)CCCNC(N)=O)C[C@H]12 ZINC001160258867 1073251080 /nfs/dbraw/zinc/25/10/80/1073251080.db2.gz CPTAXIWKFXILHE-ABSDTBQOSA-N 0 3 437.566 -0.034 20 0 IBADHN CS(=O)(=O)N1CC[C@@]2(c3ccccc3)CCN(C(=O)[C@H](N)CCCNC(N)=O)C[C@H]12 ZINC001160258868 1073251034 /nfs/dbraw/zinc/25/10/34/1073251034.db2.gz CPTAXIWKFXILHE-FUHIMQAGSA-N 0 3 437.566 -0.034 20 0 IBADHN CS(=O)(=O)N1CC[C@]2(c3ccccc3)CCN(C(=O)[C@H](N)CCCNC(N)=O)C[C@@H]12 ZINC001160258869 1073251444 /nfs/dbraw/zinc/25/14/44/1073251444.db2.gz CPTAXIWKFXILHE-HLIPFELVSA-N 0 3 437.566 -0.034 20 0 IBADHN CS(=O)(=O)N1CC[C@@]2(c3ccccc3)CCN(C(=O)[C@H](N)CCCNC(N)=O)C[C@@H]12 ZINC001160258870 1073251571 /nfs/dbraw/zinc/25/15/71/1073251571.db2.gz CPTAXIWKFXILHE-MBOZVWFJSA-N 0 3 437.566 -0.034 20 0 IBADHN CS(=O)(=O)N1CC[C@]2(c3ccccc3)CCN(C(=O)[C@@H](N)CCCNC(N)=O)C[C@@H]12 ZINC001160258871 1073251541 /nfs/dbraw/zinc/25/15/41/1073251541.db2.gz CPTAXIWKFXILHE-QKLQHJQFSA-N 0 3 437.566 -0.034 20 0 IBADHN CS(=O)(=O)N1CC[C@@]2(c3ccccc3)CCN(C(=O)[C@@H](N)CCCNC(N)=O)C[C@@H]12 ZINC001160258872 1073251582 /nfs/dbraw/zinc/25/15/82/1073251582.db2.gz CPTAXIWKFXILHE-SQGPQFPESA-N 0 3 437.566 -0.034 20 0 IBADHN CS(=O)(=O)N1CC[C@]2(c3ccccc3)CCN(C(=O)[C@H](N)CCCNC(N)=O)C[C@H]12 ZINC001160258873 1073251505 /nfs/dbraw/zinc/25/15/05/1073251505.db2.gz CPTAXIWKFXILHE-UWVAXJGDSA-N 0 3 437.566 -0.034 20 0 IBADHN CS(=O)(=O)N1CC[C@]2(c3ccccc3)CCN(C(=O)[C@@H](N)CCCNC(N)=O)C[C@H]12 ZINC001160258958 1073251461 /nfs/dbraw/zinc/25/14/61/1073251461.db2.gz CPTAXIWKFXILHE-ZWOKBUDYSA-N 0 3 437.566 -0.034 20 0 IBADHN CS(=O)(=O)N1CC[C@]2(c3ccccc3)CCN(C(=O)[C@H]3COC4(CNC4)CN3)C[C@H]12 ZINC001160263417 1073252008 /nfs/dbraw/zinc/25/20/08/1073252008.db2.gz ZJGLZSUBOTXERT-LQWHRVPQSA-N 0 3 434.562 -0.479 20 0 IBADHN CS(=O)(=O)N1CC[C@]2(c3ccccc3)CCN(C(=O)[C@H]3COC4(CNC4)CN3)C[C@@H]12 ZINC001160263584 1073251973 /nfs/dbraw/zinc/25/19/73/1073251973.db2.gz ZJGLZSUBOTXERT-OPYAIIAOSA-N 0 3 434.562 -0.479 20 0 IBADHN CS(=O)(=O)N1CC[C@]2(c3ccccc3)CCN(C(=O)[C@@H]3COC4(CNC4)CN3)C[C@@H]12 ZINC001160263585 1073251996 /nfs/dbraw/zinc/25/19/96/1073251996.db2.gz ZJGLZSUBOTXERT-UEXGIBASSA-N 0 3 434.562 -0.479 20 0 IBADHN CS(=O)(=O)N1CC[C@]2(c3ccccc3)CCN(C(=O)[C@@H]3COC4(CNC4)CN3)C[C@H]12 ZINC001160263586 1073251947 /nfs/dbraw/zinc/25/19/47/1073251947.db2.gz ZJGLZSUBOTXERT-WFXMLNOXSA-N 0 3 434.562 -0.479 20 0 IBADHN CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)N1CCc2ccc(=O)n(CC(=O)N(C)C)c2CC1 ZINC001160265617 1073251911 /nfs/dbraw/zinc/25/19/11/1073251911.db2.gz AIMHIPQUZJRETB-RDJZCZTQSA-N 0 3 433.553 -0.258 20 0 IBADHN C[C@H](N)C(=O)N1[C@H](C(=O)N2CCc3ccc(=O)n(CC(=O)N(C)C)c3CC2)COC1(C)C ZINC001160266016 1073251981 /nfs/dbraw/zinc/25/19/81/1073251981.db2.gz GMIVGQJQEMEWMM-YOEHRIQHSA-N 0 3 447.536 -0.826 20 0 IBADHN CCOC[C@H]1C(=O)N(CC)CC12CCN(C(=O)[C@H]1CCS(=O)(=O)C13CNC3)CC2 ZINC001160271394 1073252286 /nfs/dbraw/zinc/25/22/86/1073252286.db2.gz RNAWVOFYKOQOMD-CVEARBPZSA-N 0 3 427.567 -0.113 20 0 IBADHN CCOC[C@H]1C(=O)N(CC)CC12CCN(C(=O)[C@@H]1CCS(=O)(=O)C13CNC3)CC2 ZINC001160271395 1073252396 /nfs/dbraw/zinc/25/23/96/1073252396.db2.gz RNAWVOFYKOQOMD-HOTGVXAUSA-N 0 3 427.567 -0.113 20 0 IBADHN CCOC[C@@H]1C(=O)N(CC)CC12CCN(C(=O)[C@H]1CCS(=O)(=O)C13CNC3)CC2 ZINC001160271396 1073252310 /nfs/dbraw/zinc/25/23/10/1073252310.db2.gz RNAWVOFYKOQOMD-HZPDHXFCSA-N 0 3 427.567 -0.113 20 0 IBADHN CCOC[C@@H]1C(=O)N(CC)CC12CCN(C(=O)[C@@H]1CCS(=O)(=O)C13CNC3)CC2 ZINC001160271397 1073252367 /nfs/dbraw/zinc/25/23/67/1073252367.db2.gz RNAWVOFYKOQOMD-JKSUJKDBSA-N 0 3 427.567 -0.113 20 0 IBADHN CCOC[C@@H]1C(=O)N(CC)CC12CCN(C(=O)CC[C@@H](NC(=O)[C@H](C)N)C(N)=O)CC2 ZINC001160271684 1073252446 /nfs/dbraw/zinc/25/24/46/1073252446.db2.gz WNSCNUKJAIRXPL-ARFHVFGLSA-N 0 3 439.557 -0.793 20 0 IBADHN CCOC[C@H]1C(=O)N(CC)CC12CCN(C(=O)CC[C@@H](NC(=O)[C@H](C)N)C(N)=O)CC2 ZINC001160271685 1073252437 /nfs/dbraw/zinc/25/24/37/1073252437.db2.gz WNSCNUKJAIRXPL-HRCADAONSA-N 0 3 439.557 -0.793 20 0 IBADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC2(CC1)[C@@H](c1ccccc1)CC(=O)N2C ZINC001160274917 1073252412 /nfs/dbraw/zinc/25/24/12/1073252412.db2.gz SWUINRAAWLPECS-UAGQMJEPSA-N 0 3 429.521 -0.299 20 0 IBADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC2(CC1)[C@H](c1ccccc1)CC(=O)N2C ZINC001160274918 1073252356 /nfs/dbraw/zinc/25/23/56/1073252356.db2.gz SWUINRAAWLPECS-XIRDDKMYSA-N 0 3 429.521 -0.299 20 0 IBADHN CC(C)CN1c2ccccc2[C@@]2(CCN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N)C2)C1=O ZINC001160283458 1073252300 /nfs/dbraw/zinc/25/23/00/1073252300.db2.gz RGOSKLHZLMQUHO-DDVAMESESA-N 0 3 429.521 -0.133 20 0 IBADHN CC(C)CN1c2ccccc2[C@]2(CCN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N)C2)C1=O ZINC001160283459 1073252405 /nfs/dbraw/zinc/25/24/05/1073252405.db2.gz RGOSKLHZLMQUHO-KHJUTWJGSA-N 0 3 429.521 -0.133 20 0 IBADHN CC(C)NC(=O)[C@@H]1C[C@H]2OCCN(C(=O)[C@@H](N)CCCNC(=O)c3cnccn3)[C@@H]2C1 ZINC001160294573 1073252383 /nfs/dbraw/zinc/25/23/83/1073252383.db2.gz CSYGAKAYSCAXPO-CWLKWCNXSA-N 0 3 432.525 -0.156 20 0 IBADHN O=C(NCc1ccncc1)C1=NO[C@@]2(C1)CCCN(C(=O)[C@@H]1COC3(CNC3)CN1)C2 ZINC001160298883 1073252857 /nfs/dbraw/zinc/25/28/57/1073252857.db2.gz AUJCFUOQXDKRPX-FXAWDEMLSA-N 0 3 428.493 -0.834 20 0 IBADHN O=C(NCc1ccncc1)C1=NO[C@]2(C1)CCCN(C(=O)[C@@H]1COC3(CNC3)CN1)C2 ZINC001160298884 1073252779 /nfs/dbraw/zinc/25/27/79/1073252779.db2.gz AUJCFUOQXDKRPX-PXNSSMCTSA-N 0 3 428.493 -0.834 20 0 IBADHN O=C(NCc1ccncc1)C1=NO[C@]2(C1)CCCN(C(=O)[C@H]1COC3(CNC3)CN1)C2 ZINC001160298885 1073252817 /nfs/dbraw/zinc/25/28/17/1073252817.db2.gz AUJCFUOQXDKRPX-XLIONFOSSA-N 0 3 428.493 -0.834 20 0 IBADHN O=C(NCc1ccncc1)C1=NO[C@@]2(C1)CCCN(C(=O)[C@H]1COC3(CNC3)CN1)C2 ZINC001160298886 1073252907 /nfs/dbraw/zinc/25/29/07/1073252907.db2.gz AUJCFUOQXDKRPX-YLJYHZDGSA-N 0 3 428.493 -0.834 20 0 IBADHN NC(=O)NCCC[C@@H](N)C(=O)N1CCC[C@@]2(CC(C(=O)NCc3ccncc3)=NO2)C1 ZINC001160299797 1073252787 /nfs/dbraw/zinc/25/27/87/1073252787.db2.gz KMOIKQOYFNAOEG-FOIQADDNSA-N 0 3 431.497 -0.389 20 0 IBADHN NC(=O)NCCC[C@H](N)C(=O)N1CCC[C@@]2(CC(C(=O)NCc3ccncc3)=NO2)C1 ZINC001160299798 1073252840 /nfs/dbraw/zinc/25/28/40/1073252840.db2.gz KMOIKQOYFNAOEG-MGPUTAFESA-N 0 3 431.497 -0.389 20 0 IBADHN NC(=O)NCCC[C@@H](N)C(=O)N1CCC[C@]2(CC(C(=O)NCc3ccncc3)=NO2)C1 ZINC001160299799 1073252797 /nfs/dbraw/zinc/25/27/97/1073252797.db2.gz KMOIKQOYFNAOEG-QRWLVFNGSA-N 0 3 431.497 -0.389 20 0 IBADHN NC(=O)NCCC[C@H](N)C(=O)N1CCC[C@]2(CC(C(=O)NCc3ccncc3)=NO2)C1 ZINC001160299800 1073252866 /nfs/dbraw/zinc/25/28/66/1073252866.db2.gz KMOIKQOYFNAOEG-YWZLYKJASA-N 0 3 431.497 -0.389 20 0 IBADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CC[C@@]2(CC(=O)N(c3ccc4c(c3)OCO4)C2)C1 ZINC001160310127 1073253281 /nfs/dbraw/zinc/25/32/81/1073253281.db2.gz DSPMQEHHJFHCRX-QENPMARHSA-N 0 3 445.476 -0.922 20 0 IBADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CC[C@]2(CC(=O)N(c3ccc4c(c3)OCO4)C2)C1 ZINC001160310128 1073253256 /nfs/dbraw/zinc/25/32/56/1073253256.db2.gz DSPMQEHHJFHCRX-VUCVNMQBSA-N 0 3 445.476 -0.922 20 0 IBADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC2(CCC(=O)N2Cc2ccccc2)CC1 ZINC001160314780 1073253828 /nfs/dbraw/zinc/25/38/28/1073253828.db2.gz ZPXMMOSZXIGDHI-RDJZCZTQSA-N 0 3 429.521 -0.122 20 0 IBADHN CCN(CC)c1ccnc([C@H]2COCCN2C(=O)CC[C@@H](NC(=O)[C@H](C)N)C(N)=O)n1 ZINC001160324244 1073253813 /nfs/dbraw/zinc/25/38/13/1073253813.db2.gz SQIUCAASVQLSEA-RRFJBIMHSA-N 0 3 435.529 -0.680 20 0 IBADHN CCN(CC)c1ccnc([C@@H]2COCCN2C(=O)CC[C@@H](NC(=O)[C@H](C)N)C(N)=O)n1 ZINC001160324246 1073253749 /nfs/dbraw/zinc/25/37/49/1073253749.db2.gz SQIUCAASVQLSEA-ZNMIVQPWSA-N 0 3 435.529 -0.680 20 0 IBADHN COCCO[C@H]1CCN(C(=O)[C@H]2CCS(=O)(=O)C23CNC3)[C@H]1Cc1cnn(C)c1 ZINC001160327003 1073253862 /nfs/dbraw/zinc/25/38/62/1073253862.db2.gz VWNHRQBYOCUVFG-IKGGRYGDSA-N 0 3 426.539 -0.628 20 0 IBADHN COCCO[C@H]1CCN(C(=O)[C@@H]2CCS(=O)(=O)C23CNC3)[C@H]1Cc1cnn(C)c1 ZINC001160327004 1073253697 /nfs/dbraw/zinc/25/36/97/1073253697.db2.gz VWNHRQBYOCUVFG-ULQDDVLXSA-N 0 3 426.539 -0.628 20 0 IBADHN COCCO[C@H]1CCN(C(=O)[C@@H]2COC(C)(C)N2C(=O)[C@H](C)N)[C@H]1Cc1cnn(C)c1 ZINC001160327032 1073253709 /nfs/dbraw/zinc/25/37/09/1073253709.db2.gz XMBAUCGVCBOIQJ-DKIMLUQUSA-N 0 3 437.541 -0.094 20 0 IBADHN O=C(NC[C@H]1Cn2ccnc2CN(C(=O)[C@@H]2CNCc3ccnn3C2)C1)c1ccnnc1 ZINC001160335102 1073253801 /nfs/dbraw/zinc/25/38/01/1073253801.db2.gz JKOYNRXWCLYYPQ-DOTOQJQBSA-N 0 3 435.492 -0.322 20 0 IBADHN O=C(NC[C@@H]1Cn2ccnc2CN(C(=O)[C@@H]2CNCc3ccnn3C2)C1)c1ccnnc1 ZINC001160335103 1073253733 /nfs/dbraw/zinc/25/37/33/1073253733.db2.gz JKOYNRXWCLYYPQ-NVXWUHKLSA-N 0 3 435.492 -0.322 20 0 IBADHN O=C(NC[C@H]1Cn2ccnc2CN(C(=O)[C@H]2CNCc3ccnn3C2)C1)c1ccnnc1 ZINC001160335104 1073253652 /nfs/dbraw/zinc/25/36/52/1073253652.db2.gz JKOYNRXWCLYYPQ-RDJZCZTQSA-N 0 3 435.492 -0.322 20 0 IBADHN O=C(NC[C@@H]1Cn2ccnc2CN(C(=O)[C@H]2CNCc3ccnn3C2)C1)c1ccnnc1 ZINC001160335105 1073253667 /nfs/dbraw/zinc/25/36/67/1073253667.db2.gz JKOYNRXWCLYYPQ-WBVHZDCISA-N 0 3 435.492 -0.322 20 0 IBADHN C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N1Cc2nccn2C[C@@H](CNC(=O)c2ccnnc2)C1 ZINC001160342457 1073254208 /nfs/dbraw/zinc/25/42/08/1073254208.db2.gz BRXCSVHREQKMET-UXLLHSPISA-N 0 3 440.508 -0.600 20 0 IBADHN C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N1Cc2nccn2C[C@H](CNC(=O)c2ccnnc2)C1 ZINC001160342458 1073254154 /nfs/dbraw/zinc/25/41/54/1073254154.db2.gz BRXCSVHREQKMET-ZOBUZTSGSA-N 0 3 440.508 -0.600 20 0 IBADHN CC(=O)NCCCC[C@H](N)C(=O)N1Cc2nccn2C[C@@H](CNC(=O)c2ccnnc2)C1 ZINC001160342491 1073254244 /nfs/dbraw/zinc/25/42/44/1073254244.db2.gz CQWXVIQRADCYMY-AEFFLSMTSA-N 0 3 442.524 -0.305 20 0 IBADHN CC(=O)NCCCC[C@H](N)C(=O)N1Cc2nccn2C[C@H](CNC(=O)c2ccnnc2)C1 ZINC001160342492 1073254265 /nfs/dbraw/zinc/25/42/65/1073254265.db2.gz CQWXVIQRADCYMY-WMZOPIPTSA-N 0 3 442.524 -0.305 20 0 IBADHN CC[C@H](C)[C@H](N)C(=O)NCC(=O)N1Cc2nccn2C[C@H](CNC(=O)c2ccnnc2)C1 ZINC001160343440 1073254710 /nfs/dbraw/zinc/25/47/10/1073254710.db2.gz JMIFMFBIHGFHEM-DOXZYTNZSA-N 0 3 442.524 -0.449 20 0 IBADHN CC[C@H](C)[C@H](N)C(=O)NCC(=O)N1Cc2nccn2C[C@@H](CNC(=O)c2ccnnc2)C1 ZINC001160343441 1073254717 /nfs/dbraw/zinc/25/47/17/1073254717.db2.gz JMIFMFBIHGFHEM-KHYOSLBOSA-N 0 3 442.524 -0.449 20 0 IBADHN N[C@H](C(=O)N1Cc2nccn2C[C@@H](CNC(=O)c2ccnnc2)C1)C1CCC(O)CC1 ZINC001160343502 1073254701 /nfs/dbraw/zinc/25/47/01/1073254701.db2.gz KLBZAHVJNLBOTH-QCNKBUPASA-N 0 3 427.509 -0.060 20 0 IBADHN N[C@H](C(=O)N1Cc2nccn2C[C@H](CNC(=O)c2ccnnc2)C1)C1CCC(O)CC1 ZINC001160343503 1073254713 /nfs/dbraw/zinc/25/47/13/1073254713.db2.gz KLBZAHVJNLBOTH-QSUGNCRHSA-N 0 3 427.509 -0.060 20 0 IBADHN N[C@H]1CCCCN(CC(=O)N2Cc3nccn3C[C@H](CNC(=O)c3ccnnc3)C2)C1=O ZINC001160344022 1073254707 /nfs/dbraw/zinc/25/47/07/1073254707.db2.gz OWQKFEBBOHYFEE-RDJZCZTQSA-N 0 3 440.508 -0.599 20 0 IBADHN N[C@H]1CCCCN(CC(=O)N2Cc3nccn3C[C@@H](CNC(=O)c3ccnnc3)C2)C1=O ZINC001160344023 1073254658 /nfs/dbraw/zinc/25/46/58/1073254658.db2.gz OWQKFEBBOHYFEE-WBVHZDCISA-N 0 3 440.508 -0.599 20 0 IBADHN CC(C)C[C@H](N)C(=O)NCC(=O)N1Cc2nccn2C[C@H](CNC(=O)c2ccnnc2)C1 ZINC001160344576 1073254692 /nfs/dbraw/zinc/25/46/92/1073254692.db2.gz RFWVMMSNNTYMOQ-RDJZCZTQSA-N 0 3 442.524 -0.449 20 0 IBADHN CC(C)C[C@H](N)C(=O)NCC(=O)N1Cc2nccn2C[C@@H](CNC(=O)c2ccnnc2)C1 ZINC001160344577 1073254720 /nfs/dbraw/zinc/25/47/20/1073254720.db2.gz RFWVMMSNNTYMOQ-WBVHZDCISA-N 0 3 442.524 -0.449 20 0 IBADHN O=C(Nc1cccnc1)c1noc2c1CN(C(=O)[C@@H]1CCS(=O)(=O)C13CNC3)CC2 ZINC001160352999 1073255449 /nfs/dbraw/zinc/25/54/49/1073255449.db2.gz LBHRJANNDVMWML-AWEZNQCLSA-N 0 3 431.474 -0.017 20 0 IBADHN O=C(Nc1cccnc1)c1noc2c1CN(C(=O)[C@H]1CCS(=O)(=O)C13CNC3)CC2 ZINC001160353001 1073255477 /nfs/dbraw/zinc/25/54/77/1073255477.db2.gz LBHRJANNDVMWML-CQSZACIVSA-N 0 3 431.474 -0.017 20 0 IBADHN C[C@H](N)C(=O)N1[C@H](C(=O)N2CCO[C@@]3(C2)COCCN(c2ncccn2)C3)COC1(C)C ZINC001160353652 1073255985 /nfs/dbraw/zinc/25/59/85/1073255985.db2.gz RBUIYUQAVBSLMK-CKJXQJPGSA-N 0 3 448.524 -0.779 20 0 IBADHN C[C@H](N)C(=O)N1[C@H](C(=O)N2CCO[C@]3(C2)COCCN(c2ncccn2)C3)COC1(C)C ZINC001160353653 1073255941 /nfs/dbraw/zinc/25/59/41/1073255941.db2.gz RBUIYUQAVBSLMK-QYWGDWMGSA-N 0 3 448.524 -0.779 20 0 IBADHN CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)N1CCO[C@]2(C1)COCCN(c1ncccn1)C2 ZINC001160354069 1073256042 /nfs/dbraw/zinc/25/60/42/1073256042.db2.gz RMESQNUEZYVGEL-FIKGOQFSSA-N 0 3 434.541 -0.211 20 0 IBADHN CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)N1CCO[C@@]2(C1)COCCN(c1ncccn1)C2 ZINC001160354071 1073256033 /nfs/dbraw/zinc/25/60/33/1073256033.db2.gz RMESQNUEZYVGEL-XGHQBKJUSA-N 0 3 434.541 -0.211 20 0 IBADHN O=C(c1ccco1)N1CCC[C@]2(C1)CN(C(=O)[C@H]1CCS(=O)(=O)C13CNC3)CCO2 ZINC001160356907 1073255840 /nfs/dbraw/zinc/25/58/40/1073255840.db2.gz GLNFVAUYGKGRSI-BEFAXECRSA-N 0 3 437.518 -0.110 20 0 IBADHN O=C(c1ccco1)N1CCC[C@@]2(C1)CN(C(=O)[C@H]1CCS(=O)(=O)C13CNC3)CCO2 ZINC001160356908 1073255998 /nfs/dbraw/zinc/25/59/98/1073255998.db2.gz GLNFVAUYGKGRSI-DNVCBOLYSA-N 0 3 437.518 -0.110 20 0 IBADHN O=C(c1ccco1)N1CCC[C@@]2(C1)CN(C(=O)[C@@H]1CCS(=O)(=O)C13CNC3)CCO2 ZINC001160356909 1073255925 /nfs/dbraw/zinc/25/59/25/1073255925.db2.gz GLNFVAUYGKGRSI-HNAYVOBHSA-N 0 3 437.518 -0.110 20 0 IBADHN O=C(c1ccco1)N1CCC[C@]2(C1)CN(C(=O)[C@@H]1CCS(=O)(=O)C13CNC3)CCO2 ZINC001160356910 1073256024 /nfs/dbraw/zinc/25/60/24/1073256024.db2.gz GLNFVAUYGKGRSI-KXBFYZLASA-N 0 3 437.518 -0.110 20 0 IBADHN C[C@H](N)C(=O)N[C@H](CCC(=O)N1CCc2onc(C(=O)Nc3cccnc3)c2C1)C(N)=O ZINC001160358219 1073255800 /nfs/dbraw/zinc/25/58/00/1073255800.db2.gz NRNMAPOXOCINOV-SMDDNHRTSA-N 0 3 443.464 -0.696 20 0 IBADHN C[C@H](N)C(=O)N[C@H](CCC(=O)N1CCO[C@]2(CCCN(C(=O)c3ccco3)C2)C1)C(N)=O ZINC001160358469 1073255886 /nfs/dbraw/zinc/25/58/86/1073255886.db2.gz PLPDTEGPYTXYEA-PDSXEYIOSA-N 0 3 449.508 -0.789 20 0 IBADHN C[C@H](N)C(=O)N[C@H](CCC(=O)N1CCO[C@@]2(CCCN(C(=O)c3ccco3)C2)C1)C(N)=O ZINC001160358473 1073256385 /nfs/dbraw/zinc/25/63/85/1073256385.db2.gz PLPDTEGPYTXYEA-ZSDSOXJFSA-N 0 3 449.508 -0.789 20 0 IBADHN CN(C)C(=O)COCc1nnc2n1CCN(C(=O)[C@H](N)C1CCC3(CC1)OCCO3)C2 ZINC001160380703 1073256876 /nfs/dbraw/zinc/25/68/76/1073256876.db2.gz IKYLLKDXZYUKFY-GOSISDBHSA-N 0 3 436.513 -0.514 20 0 IBADHN CN(C)C(=O)COCc1nnc2n1CCN(C(=O)[C@@H](N)C1CCC3(CC1)OCCO3)C2 ZINC001160380705 1073256826 /nfs/dbraw/zinc/25/68/26/1073256826.db2.gz IKYLLKDXZYUKFY-SFHVURJKSA-N 0 3 436.513 -0.514 20 0 IBADHN CN(C)C(=O)CN1CCC2(CCCN2C(=O)[C@@H](N)CCCNC(=O)c2cnccn2)CC1 ZINC001160387886 1073257441 /nfs/dbraw/zinc/25/74/41/1073257441.db2.gz FEYPJHLZYBOAHW-KRWDZBQOSA-N 0 3 445.568 -0.141 20 0 IBADHN O=C([C@@H]1CCS(=O)(=O)C12CNC2)N1CC[C@H]2OC[C@@H](C(=O)N3CCCCO3)C[C@H]2C1 ZINC001160388341 1073257425 /nfs/dbraw/zinc/25/74/25/1073257425.db2.gz KDIDIYFZCQZOOQ-LUKYLMHMSA-N 0 3 441.550 -0.429 20 0 IBADHN O=C([C@H]1CCS(=O)(=O)C12CNC2)N1CC[C@H]2OC[C@@H](C(=O)N3CCCCO3)C[C@H]2C1 ZINC001160388342 1073257410 /nfs/dbraw/zinc/25/74/10/1073257410.db2.gz KDIDIYFZCQZOOQ-MWDXBVQZSA-N 0 3 441.550 -0.429 20 0 IBADHN NC(=O)NCCC[C@@H](N)C(=O)N1CC[C@H]2OCC[C@@H](C(=O)NCCc3ccncc3)[C@@H]2C1 ZINC001160392411 1073257722 /nfs/dbraw/zinc/25/77/22/1073257722.db2.gz XXLOCHDYEYDSPX-FCGDIQPGSA-N 0 3 446.552 -0.230 20 0 IBADHN NC(=O)NCCC[C@H](N)C(=O)N1CC[C@H]2OCC[C@@H](C(=O)NCCc3ccncc3)[C@@H]2C1 ZINC001160392412 1073257782 /nfs/dbraw/zinc/25/77/82/1073257782.db2.gz XXLOCHDYEYDSPX-YDZRNGNQSA-N 0 3 446.552 -0.230 20 0 IBADHN CC(C)C[C@H](N)C(=O)NCC(=O)N1CCC2(CC1)CN(C(=O)c1cnccn1)CCO2 ZINC001160397520 1073257955 /nfs/dbraw/zinc/25/79/55/1073257955.db2.gz AESKKZHHCOIOHM-INIZCTEOSA-N 0 3 432.525 -0.200 20 0 IBADHN O=C(c1cnccn1)N1CCOC2(CCN(C(=O)[C@@H]3CCS(=O)(=O)C34CNC4)CC2)C1 ZINC001160397687 1073257981 /nfs/dbraw/zinc/25/79/81/1073257981.db2.gz DLAFWHQIMUPICA-HNNXBMFYSA-N 0 3 449.533 -0.913 20 0 IBADHN O=C(c1cnccn1)N1CCOC2(CCN(C(=O)[C@H]3CCS(=O)(=O)C34CNC4)CC2)C1 ZINC001160397688 1073257929 /nfs/dbraw/zinc/25/79/29/1073257929.db2.gz DLAFWHQIMUPICA-OAHLLOKOSA-N 0 3 449.533 -0.913 20 0 IBADHN C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N1CCC2(CC1)CN(C(=O)c1cnccn1)CCO2 ZINC001160398679 1073257847 /nfs/dbraw/zinc/25/78/47/1073257847.db2.gz LIDHPEGQCGJYJY-RDJZCZTQSA-N 0 3 430.509 -0.352 20 0 IBADHN O=C(c1cnccn1)N1CCOC2(CCN(C(=O)[C@H]3CNCc4ccnn4C3)CC2)C1 ZINC001160399021 1073257972 /nfs/dbraw/zinc/25/79/72/1073257972.db2.gz MKXIDUUCCKIRNX-INIZCTEOSA-N 0 3 425.493 -0.074 20 0 IBADHN O=C(c1cnccn1)N1CCOC2(CCN(C(=O)[C@@H]3CNCc4ccnn4C3)CC2)C1 ZINC001160399022 1073257913 /nfs/dbraw/zinc/25/79/13/1073257913.db2.gz MKXIDUUCCKIRNX-MRXNPFEDSA-N 0 3 425.493 -0.074 20 0 IBADHN N[C@H]1CCCCN(CC(=O)N2CCC3(CC2)CN(C(=O)c2cnccn2)CCO3)C1=O ZINC001160399063 1073258381 /nfs/dbraw/zinc/25/83/81/1073258381.db2.gz NYCMWOPYQKUCBL-INIZCTEOSA-N 0 3 430.509 -0.350 20 0 IBADHN C[C@H](N)C(=O)N1[C@H](C(=O)N2C[C@H](NC(=O)c3cnn(C)c3)[C@H]3OCCC[C@H]32)COC1(C)C ZINC001160399078 1073258282 /nfs/dbraw/zinc/25/82/82/1073258282.db2.gz OFPVVJZAQPWKKM-BTYMGIQYSA-N 0 3 448.524 -0.781 20 0 IBADHN C[C@H](N)C(=O)N[C@@H](C)C(=O)N1CC[C@H]2OCC[C@@H](C(=O)NCCc3ccncc3)[C@@H]2C1 ZINC001160400989 1073258266 /nfs/dbraw/zinc/25/82/66/1073258266.db2.gz GWFLZFISSIWRDG-NXJYUQPGSA-N 0 3 431.537 -0.154 20 0 IBADHN O=C(NCCc1ccncc1)[C@@H]1CCO[C@@H]2CCN(C(=O)[C@@H]3COC4(CNC4)CN3)C[C@H]21 ZINC001160401595 1073258761 /nfs/dbraw/zinc/25/87/61/1073258761.db2.gz UOYIEFVABUYNSQ-FUMNGEBKSA-N 0 3 443.548 -0.676 20 0 IBADHN O=C(NCCc1ccncc1)[C@@H]1CCO[C@@H]2CCN(C(=O)[C@H]3COC4(CNC4)CN3)C[C@H]21 ZINC001160401596 1073258725 /nfs/dbraw/zinc/25/87/25/1073258725.db2.gz UOYIEFVABUYNSQ-IYWMVGAKSA-N 0 3 443.548 -0.676 20 0 IBADHN CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)N1C[C@H](NC(=O)c2cnn(C)c2)[C@H]2OCCC[C@H]21 ZINC001160401600 1073258747 /nfs/dbraw/zinc/25/87/47/1073258747.db2.gz USCVEUHVNWQTRE-OGCZYDBJSA-N 0 3 434.541 -0.214 20 0 IBADHN CC[C@H](C)[C@H](N)C(=O)NCC(=O)N1CCC2(CC1)CN(C(=O)c1cnccn1)CCO2 ZINC001160403640 1073259285 /nfs/dbraw/zinc/25/92/85/1073259285.db2.gz CNPKDQWGCNXEHC-YJBOKZPZSA-N 0 3 432.525 -0.200 20 0 IBADHN Cn1ccnc1C(=O)NCc1cnc2n1CCN(C(=O)[C@@H](N)Cc1cncn1C)CC2 ZINC001160404225 1073259239 /nfs/dbraw/zinc/25/92/39/1073259239.db2.gz LGBNJVJEVXCVCI-INIZCTEOSA-N 0 3 425.497 -0.765 20 0 IBADHN Cn1ccnc1C(=O)NCc1cnc2n1CCN(C(=O)[C@H]1CNCc3ccnn3C1)CC2 ZINC001160404229 1073259207 /nfs/dbraw/zinc/25/92/07/1073259207.db2.gz LJGJVKSHBKRRCB-HNNXBMFYSA-N 0 3 437.508 -0.453 20 0 IBADHN Cn1ccnc1C(=O)NCc1cnc2n1CCN(C(=O)[C@@H]1CNCc3ccnn3C1)CC2 ZINC001160404230 1073259098 /nfs/dbraw/zinc/25/90/98/1073259098.db2.gz LJGJVKSHBKRRCB-OAHLLOKOSA-N 0 3 437.508 -0.453 20 0 IBADHN CC(=O)NCCCC[C@H](N)C(=O)N1CCC2(CC1)CN(C(=O)c1cnccn1)CCO2 ZINC001160404703 1073259172 /nfs/dbraw/zinc/25/91/72/1073259172.db2.gz QQMAUBNDCHGUDW-KRWDZBQOSA-N 0 3 432.525 -0.056 20 0 IBADHN Cn1ccnc1C(=O)NCc1cnc2n1CCN(C(=O)[C@@H](N)C1CCC(O)CC1)CC2 ZINC001160404746 1073259160 /nfs/dbraw/zinc/25/91/60/1073259160.db2.gz ASSKSILYFJMDKU-PVARCSIZSA-N 0 3 429.525 -0.190 20 0 IBADHN CC(=O)NCCCC[C@H](N)C(=O)N1CCc2ncc(CNC(=O)c3nccn3C)n2CC1 ZINC001160404844 1073259755 /nfs/dbraw/zinc/25/97/55/1073259755.db2.gz CBCFPKFWWXOTOV-KRWDZBQOSA-N 0 3 444.540 -0.435 20 0 IBADHN Cn1ccnc1C(=O)NCc1cnc2n1CCN(C(=O)CN1CCCC[C@H](N)C1=O)CC2 ZINC001160405069 1073259580 /nfs/dbraw/zinc/25/95/80/1073259580.db2.gz FJEKCUMIAKGKRS-INIZCTEOSA-N 0 3 442.524 -0.729 20 0 IBADHN CC[C@H](C)[C@H](N)C(=O)NCC(=O)N1CCc2ncc(CNC(=O)c3nccn3C)n2CC1 ZINC001160405125 1073259628 /nfs/dbraw/zinc/25/96/28/1073259628.db2.gz FWWYGOSKHUUXLU-KSSFIOAISA-N 0 3 444.540 -0.579 20 0 IBADHN CC(C)C[C@H](N)C(=O)NCC(=O)N1CCc2ncc(CNC(=O)c3nccn3C)n2CC1 ZINC001160405556 1073259534 /nfs/dbraw/zinc/25/95/34/1073259534.db2.gz IVLFLOMHXIYIHB-INIZCTEOSA-N 0 3 444.540 -0.579 20 0 IBADHN C[C@H](N)C(=O)N1CCC[C@H]1C(=O)N1CCc2ncc(CNC(=O)c3nccn3C)n2CC1 ZINC001160406448 1073260021 /nfs/dbraw/zinc/26/00/21/1073260021.db2.gz TUBIJJLTICFHAL-HOCLYGCPSA-N 0 3 442.524 -0.731 20 0 IBADHN CNC(=O)c1ccc2c(c1)C1(CCN(C(=O)[C@@H]3CCS(=O)(=O)C34CNC4)CC1)C(=O)N2 ZINC001160408914 1073260509 /nfs/dbraw/zinc/26/05/09/1073260509.db2.gz WIMVXUHWSUMVKY-AWEZNQCLSA-N 0 3 446.529 -0.365 20 0 IBADHN CNC(=O)c1ccc2c(c1)C1(CCN(C(=O)[C@H]3CCS(=O)(=O)C34CNC4)CC1)C(=O)N2 ZINC001160408915 1073260492 /nfs/dbraw/zinc/26/04/92/1073260492.db2.gz WIMVXUHWSUMVKY-CQSZACIVSA-N 0 3 446.529 -0.365 20 0 IBADHN O=C([C@@H]1CCS(=O)(=O)C12CNC2)N1CCO[C@H]2[C@H](OCCCn3cccn3)CC[C@@H]21 ZINC001160414985 1073260462 /nfs/dbraw/zinc/26/04/62/1073260462.db2.gz IWJOYVICDIBTCC-WNRNVDISSA-N 0 3 438.550 -0.175 20 0 IBADHN O=C([C@H]1CCS(=O)(=O)C12CNC2)N1CCO[C@H]2[C@H](OCCCn3cccn3)CC[C@@H]21 ZINC001160414986 1073260519 /nfs/dbraw/zinc/26/05/19/1073260519.db2.gz IWJOYVICDIBTCC-XMTFNYHQSA-N 0 3 438.550 -0.175 20 0 IBADHN CC(C)C(=O)N1CCO[C@@]2(C1)COCCN(C(=O)[C@@H]1COC(C)(C)N1C(=O)[C@H](C)N)C2 ZINC001160418630 1073261045 /nfs/dbraw/zinc/26/10/45/1073261045.db2.gz LGWGAJUKQDBVTH-CKJXQJPGSA-N 0 3 440.541 -0.591 20 0 IBADHN CC(C)C(=O)N1CCO[C@]2(C1)COCCN(C(=O)[C@@H]1COC(C)(C)N1C(=O)[C@H](C)N)C2 ZINC001160418631 1073261023 /nfs/dbraw/zinc/26/10/23/1073261023.db2.gz LGWGAJUKQDBVTH-QYWGDWMGSA-N 0 3 440.541 -0.591 20 0 IBADHN CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)N1CCOC[C@]2(CN(C(=O)C(C)C)CCO2)C1 ZINC001160420182 1073261716 /nfs/dbraw/zinc/26/17/16/1073261716.db2.gz YVGCPEUGFXFOBV-FIKGOQFSSA-N 0 3 426.558 -0.023 20 0 IBADHN CC(C)C[C@H](N)C(=O)N[C@@H](C)C(=O)N1CCOC[C@@]2(CN(C(=O)C(C)C)CCO2)C1 ZINC001160420183 1073261407 /nfs/dbraw/zinc/26/14/07/1073261407.db2.gz YVGCPEUGFXFOBV-XGHQBKJUSA-N 0 3 426.558 -0.023 20 0 IBADHN CSCC[C@H](N)C(=O)N[C@@H](CCSC)C(=O)N1CCN(S(C)(=O)=O)CC1 ZINC001160431921 1073261886 /nfs/dbraw/zinc/26/18/86/1073261886.db2.gz IWGYYYIXJJKTHE-STQMWFEESA-N 0 3 426.630 -0.592 20 0 IBADHN CC(C)C[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCN(S(C)(=O)=O)CC1 ZINC001160432204 1073262079 /nfs/dbraw/zinc/26/20/79/1073262079.db2.gz OMMZQQADACKYLC-ROUUACIJSA-N 0 3 440.566 -0.103 20 0 IBADHN C[C@H](N)C(=O)N[C@H](CCC(=O)N1CCC(c2nc(-c3cccnc3)no2)CC1)C(N)=O ZINC001160435817 1073261821 /nfs/dbraw/zinc/26/18/21/1073261821.db2.gz OEOFRUCTNWJIOW-SWLSCSKDSA-N 0 3 429.481 -0.065 20 0 IBADHN CCOC(=O)C[C@@H]1C(=O)NCCN1C(=O)[C@H](CCSC)NC(=O)[C@@H](N)[C@@H](C)CC ZINC001160438762 1073262508 /nfs/dbraw/zinc/26/25/08/1073262508.db2.gz CGVSDEDHHLTVJW-AYDFFVQHSA-N 0 3 430.571 -0.122 20 0 IBADHN CCOC(=O)C[C@H]1C(=O)NCCN1C(=O)[C@H](CCSC)NC(=O)[C@@H](N)[C@@H](C)CC ZINC001160438763 1073262382 /nfs/dbraw/zinc/26/23/82/1073262382.db2.gz CGVSDEDHHLTVJW-YXWQFLTLSA-N 0 3 430.571 -0.122 20 0 IBADHN CCOC(=O)C[C@H]1C(=O)NCCN1C(=O)[C@H](CCSC)NC(=O)[C@@H](N)CCSC ZINC001160441790 1073262436 /nfs/dbraw/zinc/26/24/36/1073262436.db2.gz XZFOBKPRIWZHPN-IHRRRGAJSA-N 0 3 448.611 -0.415 20 0 IBADHN CCOC(=O)C[C@@H]1C(=O)NCCN1C(=O)[C@H](CCSC)NC(=O)[C@@H](N)CCSC ZINC001160441793 1073262395 /nfs/dbraw/zinc/26/23/95/1073262395.db2.gz XZFOBKPRIWZHPN-MELADBBJSA-N 0 3 448.611 -0.415 20 0 IBADHN CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCN(C(N)=O)CC1 ZINC001160456349 1073262452 /nfs/dbraw/zinc/26/24/52/1073262452.db2.gz ITJIENAIXFFEKC-WMZOPIPTSA-N 0 3 432.525 -0.964 20 0 IBADHN O=C([C@H]1CCS(=O)(=O)C12CNC2)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC001160470674 1073263002 /nfs/dbraw/zinc/26/30/02/1073263002.db2.gz MUVAXFBKKAGMPD-PBHICJAKSA-N 0 3 435.502 -0.726 20 0 IBADHN O=C([C@H]1CCS(=O)(=O)C12CNC2)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC001160470675 1073262920 /nfs/dbraw/zinc/26/29/20/1073262920.db2.gz MUVAXFBKKAGMPD-RHSMWYFYSA-N 0 3 435.502 -0.726 20 0 IBADHN O=C([C@@H]1CCS(=O)(=O)C12CNC2)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC001160470676 1073262900 /nfs/dbraw/zinc/26/29/00/1073262900.db2.gz MUVAXFBKKAGMPD-WMLDXEAASA-N 0 3 435.502 -0.726 20 0 IBADHN O=C([C@@H]1CCS(=O)(=O)C12CNC2)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC001160470677 1073262814 /nfs/dbraw/zinc/26/28/14/1073262814.db2.gz MUVAXFBKKAGMPD-YOEHRIQHSA-N 0 3 435.502 -0.726 20 0 IBADHN CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC2(C1)OCCO2 ZINC001160470891 1073262986 /nfs/dbraw/zinc/26/29/86/1073262986.db2.gz JVBFWMQQGFQHCP-HKUYNNGSSA-N 0 3 432.521 -0.211 20 0 IBADHN C[C@H](N)C(=O)N1[C@H](C(=O)N2CCN(C(=O)[C@@H]3COc4ccccc4O3)CC2)COC1(C)C ZINC001160471328 1073262835 /nfs/dbraw/zinc/26/28/35/1073262835.db2.gz SWUHMTHTAPQFFT-MPGHIAIKSA-N 0 3 446.504 -0.192 20 0 IBADHN C[C@H](N)C(=O)N1[C@H](C(=O)N2CCN(C(=O)[C@H]3COc4ccccc4O3)CC2)COC1(C)C ZINC001160471329 1073262968 /nfs/dbraw/zinc/26/29/68/1073262968.db2.gz SWUHMTHTAPQFFT-RLFYNMQTSA-N 0 3 446.504 -0.192 20 0 IBADHN Cc1cc(CN(C)C(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)C(C)C)C(=O)CF)n(C)n1 ZINC001160475713 1073262825 /nfs/dbraw/zinc/26/28/25/1073262825.db2.gz RPEYTWFWPHKANJ-YEWWUXTCSA-N 0 3 440.520 -0.412 20 0 IBADHN C[C@H](N)C(=O)N[C@H](CCC(=O)N1CCN(c2nnc(C(F)(F)F)s2)CC1)C(N)=O ZINC001160478112 1073263580 /nfs/dbraw/zinc/26/35/80/1073263580.db2.gz MCTYMCOOEUWBAG-DTWKUNHWSA-N 0 3 437.448 -0.697 20 0 IBADHN CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCNC(=O)C1(C)C ZINC001160478283 1073263409 /nfs/dbraw/zinc/26/34/09/1073263409.db2.gz OZUIYTVNARJOCR-WMZOPIPTSA-N 0 3 431.537 -0.450 20 0 IBADHN O=C([C@H]1CCS(=O)(=O)C12CNC2)N1CCN(c2nnc(C(F)(F)F)s2)CC1 ZINC001160478633 1073263353 /nfs/dbraw/zinc/26/33/53/1073263353.db2.gz XYVOJXWXKKOOCJ-SECBINFHSA-N 0 3 425.458 -0.018 20 0 IBADHN O=C([C@@H]1CCS(=O)(=O)C12CNC2)N1CCN(c2nnc(C(F)(F)F)s2)CC1 ZINC001160478635 1073263549 /nfs/dbraw/zinc/26/35/49/1073263549.db2.gz XYVOJXWXKKOOCJ-VIFPVBQESA-N 0 3 425.458 -0.018 20 0 IBADHN CSCC[C@H](N)C(=O)N[C@@H](CCSC)C(=O)N1CCN(CC(=O)NC(C)C)CC1 ZINC001160485545 1073263368 /nfs/dbraw/zinc/26/33/68/1073263368.db2.gz XDJBAINXQRYJFL-HOTGVXAUSA-N 0 3 447.671 -0.027 20 0 IBADHN CCn1cc(CN(Cc2c(C)nn(C)c2C)C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N)cn1 ZINC001160490442 1073263586 /nfs/dbraw/zinc/26/35/86/1073263586.db2.gz QPZDFISAEAPPDL-SJCJKPOMSA-N 0 3 432.529 -0.510 20 0 IBADHN CCn1cc(CN(Cc2c(C)nn(C)c2C)C(=O)CC[C@@H](NC(=O)[C@H](C)N)C(N)=O)cn1 ZINC001160490656 1073263309 /nfs/dbraw/zinc/26/33/09/1073263309.db2.gz WQXNYRDZXGKWMK-SCLBCKFNSA-N 0 3 446.556 -0.120 20 0 IBADHN COC(=O)[C@H]1SC[C@H](C(=O)OC)N1C(=O)[C@@H](N)CCCCNC(=O)c1ccccn1 ZINC001160492008 1073263443 /nfs/dbraw/zinc/26/34/43/1073263443.db2.gz CMALDLFLMUMRIS-DXCKQFNASA-N 0 3 438.506 -0.075 20 0 IBADHN COC(=O)[C@@H]1CS[C@@H](C(=O)OC)N1C(=O)[C@@H](N)CCCCNC(=O)c1ccccn1 ZINC001160492009 1073263335 /nfs/dbraw/zinc/26/33/35/1073263335.db2.gz CMALDLFLMUMRIS-JDFRZJQESA-N 0 3 438.506 -0.075 20 0 IBADHN COC(=O)[C@H]1CS[C@@H](C(=O)OC)N1C(=O)[C@@H](N)CCCCNC(=O)c1ccccn1 ZINC001160492010 1073263592 /nfs/dbraw/zinc/26/35/92/1073263592.db2.gz CMALDLFLMUMRIS-QEORTHHSSA-N 0 3 438.506 -0.075 20 0 IBADHN COC(=O)[C@@H]1CS[C@H](C(=O)OC)N1C(=O)[C@@H](N)CCCCNC(=O)c1ccccn1 ZINC001160492011 1073263482 /nfs/dbraw/zinc/26/34/82/1073263482.db2.gz CMALDLFLMUMRIS-RVSPLBMKSA-N 0 3 438.506 -0.075 20 0 IBADHN CCN(C(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)C(C)C)C(=O)CF)C1CCOCC1 ZINC001160493656 1073263884 /nfs/dbraw/zinc/26/38/84/1073263884.db2.gz OMFXFXBYOSRLJI-YEWWUXTCSA-N 0 3 430.521 -0.085 20 0 IBADHN COC(=O)CN1CCN(C(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)N)CC1 ZINC001160536082 1073264381 /nfs/dbraw/zinc/26/43/81/1073264381.db2.gz ZIDIVVUACNRBNK-ULQDDVLXSA-N 0 3 439.557 -0.827 20 0 IBADHN C[C@H](N)C(=O)N[C@H](CCC(=O)N1CCN(C(=O)c2c[nH]c3ccccc23)CC1)C(N)=O ZINC001160538216 1073264342 /nfs/dbraw/zinc/26/43/42/1073264342.db2.gz FRHRGRQMCLGEAK-SUMWQHHRSA-N 0 3 428.493 -0.450 20 0 IBADHN CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1CCc2ncccc2C1)C(=O)CF ZINC001160548766 1073264240 /nfs/dbraw/zinc/26/42/40/1073264240.db2.gz KWNNCNOJXVUULG-AXHNFQJDSA-N 0 3 435.500 -0.132 20 0 IBADHN CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1CCc2nn(C)cc2C1)C(=O)CF ZINC001160556768 1073264472 /nfs/dbraw/zinc/26/44/72/1073264472.db2.gz BCNACQJZSJYNRK-QITLCBANSA-N 0 3 438.504 -0.794 20 0 IBADHN COc1cc2ncnc(N3CCN(C(=O)[C@@H]4COC5(CNC5)CN4)CC3)c2cc1OC ZINC001160557838 1073264426 /nfs/dbraw/zinc/26/44/26/1073264426.db2.gz IXQOPBAZCSKDEU-INIZCTEOSA-N 0 3 428.493 -0.374 20 0 IBADHN COc1cc2ncnc(N3CCN(C(=O)[C@H]4COC5(CNC5)CN4)CC3)c2cc1OC ZINC001160557841 1073264437 /nfs/dbraw/zinc/26/44/37/1073264437.db2.gz IXQOPBAZCSKDEU-MRXNPFEDSA-N 0 3 428.493 -0.374 20 0 IBADHN CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)C(=O)N1CCN(c2cccnn2)CC1 ZINC001160572878 1073264921 /nfs/dbraw/zinc/26/49/21/1073264921.db2.gz COAHFEARKVXWFH-BZSNNMDCSA-N 0 3 445.568 -0.006 20 0 IBADHN O=C(C1CCN(C(=O)[C@@H]2COC3(CNC3)CN2)CC1)N1CCN(c2ccccc2)CC1 ZINC001160573656 1073264728 /nfs/dbraw/zinc/26/47/28/1073264728.db2.gz RKWNIRMYELCACO-FQEVSTJZSA-N 0 3 427.549 -0.096 20 0 IBADHN O=C(C1CCN(C(=O)[C@H]2COC3(CNC3)CN2)CC1)N1CCN(c2ccccc2)CC1 ZINC001160573657 1073264948 /nfs/dbraw/zinc/26/49/48/1073264948.db2.gz RKWNIRMYELCACO-HXUWFJFHSA-N 0 3 427.549 -0.096 20 0 IBADHN CS(=O)(=O)CCCN1CCN(C(=O)[C@@H]([NH3+])CCCC[N-]C(=O)C(F)(F)F)CC1 ZINC001160585624 1073264847 /nfs/dbraw/zinc/26/48/47/1073264847.db2.gz MIFRELOSHPAYKL-ZDUSSCGKSA-N 0 3 430.493 -0.259 20 0 IBADHN CS(=O)(=O)CCCN1CCN(C(=O)[C@@H](N)CCCCNC(=O)c2ccccn2)CC1 ZINC001160585764 1073264934 /nfs/dbraw/zinc/26/49/34/1073264934.db2.gz RNZKCYHLNJJNCT-KRWDZBQOSA-N 0 3 439.582 -0.112 20 0 IBADHN COC(=O)C[C@H]1CN(C(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)N)CCO1 ZINC001160595353 1073264744 /nfs/dbraw/zinc/26/47/44/1073264744.db2.gz ACSPFLUQUXFZLA-QAETUUGQSA-N 0 3 440.541 -0.354 20 0 IBADHN COC(=O)C[C@@H]1CN(C(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)N)CCO1 ZINC001160595354 1073264910 /nfs/dbraw/zinc/26/49/10/1073264910.db2.gz ACSPFLUQUXFZLA-YVSFHVDLSA-N 0 3 440.541 -0.354 20 0 IBADHN CCOC(=O)[C@H]1CN(C(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)N)CCO1 ZINC001160596209 1073265383 /nfs/dbraw/zinc/26/53/83/1073265383.db2.gz MBMBGAHQMMDBSQ-LUKYLMHMSA-N 0 3 440.541 -0.354 20 0 IBADHN CCOC(=O)[C@@H]1CN(C(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)N)CCO1 ZINC001160596210 1073265360 /nfs/dbraw/zinc/26/53/60/1073265360.db2.gz MBMBGAHQMMDBSQ-QAETUUGQSA-N 0 3 440.541 -0.354 20 0 IBADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCCN(c2ncccc2C(F)(F)F)CC1 ZINC001160602784 1073265313 /nfs/dbraw/zinc/26/53/13/1073265313.db2.gz QVBAXPBXCPTCAN-AAEUAGOBSA-N 0 3 430.431 -0.154 20 0 IBADHN COCCN(C)CCN1C[C@@H](NC(=O)[C@H]2CCCCN2C(=O)c2ccc(=O)[nH]n2)CC1=O ZINC001160604446 1073265210 /nfs/dbraw/zinc/26/52/10/1073265210.db2.gz IIFLPOXJJGFOND-DOTOQJQBSA-N 0 3 448.524 -0.528 20 0 IBADHN COCCN(C)CCN1C[C@H](NC(=O)[C@H]2CCCCN2C(=O)c2ccc(=O)[nH]n2)CC1=O ZINC001160604448 1073265349 /nfs/dbraw/zinc/26/53/49/1073265349.db2.gz IIFLPOXJJGFOND-NVXWUHKLSA-N 0 3 448.524 -0.528 20 0 IBADHN COCCN(C)CCN1C[C@@H](NC(=O)[C@@H]2CCCCN2C(=O)c2ccc(=O)[nH]n2)CC1=O ZINC001160604449 1073265376 /nfs/dbraw/zinc/26/53/76/1073265376.db2.gz IIFLPOXJJGFOND-RDJZCZTQSA-N 0 3 448.524 -0.528 20 0 IBADHN COCCN(C)CCN1C[C@H](NC(=O)[C@@H]2CCCCN2C(=O)c2ccc(=O)[nH]n2)CC1=O ZINC001160604450 1073265165 /nfs/dbraw/zinc/26/51/65/1073265165.db2.gz IIFLPOXJJGFOND-WBVHZDCISA-N 0 3 448.524 -0.528 20 0 IBADHN COCCN(C)CCN1C[C@H](NC(=O)[C@H]2OCC[C@H]2NC(=O)OC(C)(C)C)CC1=O ZINC001160604543 1073265416 /nfs/dbraw/zinc/26/54/16/1073265416.db2.gz KLQGGMBFMWAHAM-INMHGKMJSA-N 0 3 428.530 -0.036 20 0 IBADHN COCCN(C)CCN1C[C@@H](NC(=O)[C@H]2OCC[C@H]2NC(=O)OC(C)(C)C)CC1=O ZINC001160604544 1073265396 /nfs/dbraw/zinc/26/53/96/1073265396.db2.gz KLQGGMBFMWAHAM-UXLLHSPISA-N 0 3 428.530 -0.036 20 0 IBADHN COCCN(C)CCN1C[C@@H](NC(=O)c2[nH]ncc2I)CC1=O ZINC001160605343 1073265254 /nfs/dbraw/zinc/26/52/54/1073265254.db2.gz TYOVGAYEIUKQJE-JTQLQIEISA-N 0 3 435.266 -0.077 20 0 IBADHN COCCN(C)CCN1C[C@H](NC(=O)c2[nH]ncc2I)CC1=O ZINC001160605345 1073265278 /nfs/dbraw/zinc/26/52/78/1073265278.db2.gz TYOVGAYEIUKQJE-SNVBAGLBSA-N 0 3 435.266 -0.077 20 0 IBADHN COCCN(C)CCN1C[C@@H](NC(=O)[C@](C)(O)CN2Cc3ccccc3C2=O)CC1=O ZINC001160605365 1073265665 /nfs/dbraw/zinc/26/56/65/1073265665.db2.gz UBAXHGANRMTKAH-HTAPYJJXSA-N 0 3 432.521 -0.311 20 0 IBADHN COCCN(C)CCN1C[C@@H](NC(=O)[C@@](C)(O)CN2Cc3ccccc3C2=O)CC1=O ZINC001160605367 1073265697 /nfs/dbraw/zinc/26/56/97/1073265697.db2.gz UBAXHGANRMTKAH-JTSKRJEESA-N 0 3 432.521 -0.311 20 0 IBADHN COCCN(C)CCN1C[C@H](NC(=O)[C@](C)(O)CN2Cc3ccccc3C2=O)CC1=O ZINC001160605369 1073265711 /nfs/dbraw/zinc/26/57/11/1073265711.db2.gz UBAXHGANRMTKAH-VGOFRKELSA-N 0 3 432.521 -0.311 20 0 IBADHN COCCN(C)CCN1C[C@H](NC(=O)[C@@](C)(O)CN2Cc3ccccc3C2=O)CC1=O ZINC001160605371 1073265642 /nfs/dbraw/zinc/26/56/42/1073265642.db2.gz UBAXHGANRMTKAH-VGSWGCGISA-N 0 3 432.521 -0.311 20 0 IBADHN CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1CCC[C@H](CCO)C1)C(=O)CF ZINC001160611016 1073265752 /nfs/dbraw/zinc/26/57/52/1073265752.db2.gz RCKZREFHPWLOAF-KRXQYRFLSA-N 0 3 430.521 -0.491 20 0 IBADHN CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1CCC[C@@H](CCO)C1)C(=O)CF ZINC001160611017 1073265799 /nfs/dbraw/zinc/26/57/99/1073265799.db2.gz RCKZREFHPWLOAF-XSWJXKHESA-N 0 3 430.521 -0.491 20 0 IBADHN C[C@H](N)C(=O)N[C@H](CCC(=O)N1Cc2ccccc2C[C@H]1C(=O)NC(C)(C)C)C(N)=O ZINC001160615445 1073265680 /nfs/dbraw/zinc/26/56/80/1073265680.db2.gz ASXLTYMAPOEJFB-XKQJLSEDSA-N 0 3 431.537 -0.048 20 0 IBADHN O=C([C@H]1COC2(CNC2)CN1)N1CCCN(S(=O)(=O)c2cccc3cnccc32)CC1 ZINC001160615614 1073265744 /nfs/dbraw/zinc/26/57/44/1073265744.db2.gz HWARLOLWIQHSQF-GOSISDBHSA-N 0 3 445.545 -0.212 20 0 IBADHN O=C([C@@H]1COC2(CNC2)CN1)N1CCCN(S(=O)(=O)c2cccc3cnccc32)CC1 ZINC001160615615 1073265786 /nfs/dbraw/zinc/26/57/86/1073265786.db2.gz HWARLOLWIQHSQF-SFHVURJKSA-N 0 3 445.545 -0.212 20 0 IBADHN CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[C@@H]1CCNC[C@H]1F)C(=O)NCC(N)=O ZINC001160626947 1073266188 /nfs/dbraw/zinc/26/61/88/1073266188.db2.gz DABZVWSVXYASDT-FZKCQIBNSA-N 0 3 427.521 -0.553 20 0 IBADHN CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[C@H]1CCNC[C@@H]1F)C(=O)NCC(N)=O ZINC001160626948 1073266150 /nfs/dbraw/zinc/26/61/50/1073266150.db2.gz DABZVWSVXYASDT-UGUYLWEFSA-N 0 3 427.521 -0.553 20 0 IBADHN CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[C@@H]1CCNC[C@@H]1F)C(=O)NCC(N)=O ZINC001160626949 1073266175 /nfs/dbraw/zinc/26/61/75/1073266175.db2.gz DABZVWSVXYASDT-VGWMRTNUSA-N 0 3 427.521 -0.553 20 0 IBADHN CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[C@H]1CCNC[C@H]1F)C(=O)NCC(N)=O ZINC001160626950 1073266127 /nfs/dbraw/zinc/26/61/27/1073266127.db2.gz DABZVWSVXYASDT-WCVJEAGWSA-N 0 3 427.521 -0.553 20 0 IBADHN CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1CCN(CCF)CC1)C(=O)CF ZINC001160628852 1073266589 /nfs/dbraw/zinc/26/65/89/1073266589.db2.gz GNVCMXBCMUCMRZ-ZQIUZPCESA-N 0 3 433.500 -0.998 20 0 IBADHN C[C@H](N)C(=O)N[C@H](CCC(=O)N1CCn2c(Cc3ccc(F)cc3)nnc2C1)C(N)=O ZINC001160628872 1073266546 /nfs/dbraw/zinc/26/65/46/1073266546.db2.gz HCVNCMCUXGQZMW-SWLSCSKDSA-N 0 3 431.472 -0.552 20 0 IBADHN CN[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O ZINC001160628975 1073266995 /nfs/dbraw/zinc/26/69/95/1073266995.db2.gz NDFGWFYZWKLPDP-OTWHNJEPSA-N 0 3 445.564 -0.060 20 0 IBADHN CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCN(CCF)CC1 ZINC001160630396 1073266900 /nfs/dbraw/zinc/26/69/00/1073266900.db2.gz YAHBOBGSVYZLLX-ICSRJNTNSA-N 0 3 435.544 -0.073 20 0 IBADHN CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)c1ccc2c(n1)CCNC2)C(=O)NCC(N)=O ZINC001160630868 1073267479 /nfs/dbraw/zinc/26/74/79/1073267479.db2.gz FVBPIYROMOFAAQ-ROUUACIJSA-N 0 3 444.536 -0.536 20 0 IBADHN CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)c1cncc2c1CCNC2)C(=O)NCC(N)=O ZINC001160631703 1073267524 /nfs/dbraw/zinc/26/75/24/1073267524.db2.gz RGXHZWIQHXHWOL-ROUUACIJSA-N 0 3 444.536 -0.536 20 0 IBADHN CN1CCN(C2CN(C(=O)[C@@H](Cc3c[nH]c4ccccc34)NC(=O)C(C)(C)N)C2)CC1=O ZINC001160635615 1073267508 /nfs/dbraw/zinc/26/75/08/1073267508.db2.gz LDNFFYPJWNVTIG-LJQANCHMSA-N 0 3 440.548 -0.083 20 0 IBADHN CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CC(N2CCNC(=O)C2)C1 ZINC001160636675 1073267492 /nfs/dbraw/zinc/26/74/92/1073267492.db2.gz KWZWPGQVBPDIKQ-GOSISDBHSA-N 0 3 426.521 -0.425 20 0 IBADHN CSCC[C@H](N)C(=O)N[C@@H](CCSC)C(=O)N1CC(N2CCN(C)C(=O)C2)C1 ZINC001160637628 1073267465 /nfs/dbraw/zinc/26/74/65/1073267465.db2.gz URLBQNNVXNLEMF-GJZGRUSLSA-N 0 3 431.628 -0.711 20 0 IBADHN CC(C)C[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CC(N2CCN(C)C(=O)C2)C1 ZINC001160637704 1073267444 /nfs/dbraw/zinc/26/74/44/1073267444.db2.gz WGARSWVKPOLZQF-PMACEKPBSA-N 0 3 445.564 -0.222 20 0 IBADHN CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)C(=O)N1CCc2[nH]c(=O)[nH]c(=O)c2C1 ZINC001160640459 1073267812 /nfs/dbraw/zinc/26/78/12/1073267812.db2.gz CWQTTWYOXLIPIZ-RCBQFDQVSA-N 0 3 448.524 -0.358 20 0 IBADHN CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCN2C(=O)OC[C@H]2C1 ZINC001160640610 1073267937 /nfs/dbraw/zinc/26/79/37/1073267937.db2.gz IXROLAMPHCLRFA-AOIWGVFYSA-N 0 3 445.520 -0.524 20 0 IBADHN CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCN2C(=O)CC[C@@H]2C1 ZINC001160647627 1073267855 /nfs/dbraw/zinc/26/78/55/1073267855.db2.gz PUWHXJPZEZTINB-LQWHRVPQSA-N 0 3 443.548 -0.353 20 0 IBADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N(Cc1ccccc1)[C@@H]1CCCN2C(=O)OC[C@H]12 ZINC001160651109 1073267837 /nfs/dbraw/zinc/26/78/37/1073267837.db2.gz JXWIOLOUDCLZIA-QMCVQRASSA-N 0 3 431.493 -0.294 20 0 IBADHN CC(C)C[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CC(NS(C)(=O)=O)C1 ZINC001160660094 1073269184 /nfs/dbraw/zinc/26/91/84/1073269184.db2.gz DRQYZPZDQSDQIQ-IRXDYDNUSA-N 0 3 426.539 -0.447 20 0 IBADHN CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1CCC(=O)C(F)(F)C1)C(=O)CF ZINC001160663435 1073269360 /nfs/dbraw/zinc/26/93/60/1073269360.db2.gz MTTSRFYNWTZMKS-PGUXBMHVSA-N 0 3 436.431 -0.675 20 0 IBADHN C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CN)C(=O)N1CCN(c2cccc3[nH]ncc32)CC1 ZINC001160668573 1073269311 /nfs/dbraw/zinc/26/93/11/1073269311.db2.gz XUEREXZIIYYPPT-KSSFIOAISA-N 0 3 427.509 -0.334 20 0 IBADHN CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1CCOC[C@@H]1C(C)C)C(=O)CF ZINC001160669282 1073269201 /nfs/dbraw/zinc/26/92/01/1073269201.db2.gz AETBQSTZXXINBC-AFIMGQEJSA-N 0 3 430.521 -0.229 20 0 IBADHN CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1CCOC[C@H]1C(C)C)C(=O)CF ZINC001160669284 1073269214 /nfs/dbraw/zinc/26/92/14/1073269214.db2.gz AETBQSTZXXINBC-XSWJXKHESA-N 0 3 430.521 -0.229 20 0 IBADHN CC1(N2CCOCC2)CCN(C(=O)[C@H](CO)NC(=O)[C@@H](N)Cc2ccc(O)cc2)CC1 ZINC001160672839 1073269237 /nfs/dbraw/zinc/26/92/37/1073269237.db2.gz KFYLQQULYWWSJV-OALUTQOASA-N 0 3 434.537 -0.548 20 0 IBADHN CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N(C)CCC1OCCO1)C(=O)CF ZINC001160684424 1073269374 /nfs/dbraw/zinc/26/93/74/1073269374.db2.gz UUEFPTRDTYTXOX-DCGLDWPTSA-N 0 3 432.493 -0.891 20 0 IBADHN CCN(CCn1cccn1)C(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)C(C)C)C(=O)CF ZINC001160692579 1073269586 /nfs/dbraw/zinc/26/95/86/1073269586.db2.gz CVIGOWOTZBWTHA-MPGHIAIKSA-N 0 3 440.520 -0.367 20 0 IBADHN CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)C(=O)N(C)C1CCS(=O)(=O)CC1 ZINC001160718644 1073269768 /nfs/dbraw/zinc/26/97/68/1073269768.db2.gz PEBGWEGVAWZQNG-XIRDDKMYSA-N 0 3 444.598 -0.109 20 0 IBADHN CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1CCN2CCC1CC2)C(=O)CF ZINC001160725457 1073269719 /nfs/dbraw/zinc/26/97/19/1073269719.db2.gz AHGSAZNESYORMT-YEWWUXTCSA-N 0 3 427.521 -0.806 20 0 IBADHN CCN(CC)C(=O)c1cccnc1N1CCN(C(=O)[C@@H]2CCS(=O)(=O)C23CNC3)CC1 ZINC001160751265 1073270259 /nfs/dbraw/zinc/27/02/59/1073270259.db2.gz SJUQNRSQMULWBH-KRWDZBQOSA-N 0 3 449.577 -0.011 20 0 IBADHN CCN(CC)C(=O)c1cccnc1N1CCN(C(=O)[C@H]2CCS(=O)(=O)C23CNC3)CC1 ZINC001160751268 1073270335 /nfs/dbraw/zinc/27/03/35/1073270335.db2.gz SJUQNRSQMULWBH-QGZVFWFLSA-N 0 3 449.577 -0.011 20 0 IBADHN CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1C[C@H]2OC[C@@H](C)[C@H]2C1)C(=O)CF ZINC001160756879 1073270182 /nfs/dbraw/zinc/27/01/82/1073270182.db2.gz VLIXQAAMFACVDY-UHLNNOBNSA-N 0 3 428.505 -0.619 20 0 IBADHN CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1CCc2nccn2CC1)C(=O)CF ZINC001160759841 1073270299 /nfs/dbraw/zinc/27/02/99/1073270299.db2.gz AVAZSDWQJWSPJG-DEYYWGMASA-N 0 3 438.504 -0.831 20 0 IBADHN COc1cc2c(cc1OC)C(=O)C1(CCN(C)CC1)N(C(=O)[C@H](C)NC(=O)[C@@H](N)CO)C2 ZINC001160761786 1073270242 /nfs/dbraw/zinc/27/02/42/1073270242.db2.gz DJWCFVLLVCAPAM-BBRMVZONSA-N 0 3 448.520 -0.483 20 0 IBADHN C[C@H](N)C(=O)N1[C@H](C(=O)N2C[C@@H]3C(=O)N(Cc4ccccc4)C(=O)[C@@H]3C2)COC1(C)C ZINC001160765872 1073270351 /nfs/dbraw/zinc/27/03/51/1073270351.db2.gz HVRQUSDXWSZMRH-LLLHUVSDSA-N 0 3 428.489 -0.059 20 0 IBADHN CSCC[C@H](N)C(=O)N[C@@H](CCSC)C(=O)N1CCC2(CC1)CNC(=O)CO2 ZINC001160771866 1073270510 /nfs/dbraw/zinc/27/05/10/1073270510.db2.gz IBWLMCDSMHYMHH-KBPBESRZSA-N 0 3 432.612 -0.188 20 0 IBADHN CCOC(=O)[C@@]12Cc3ccccc3[C@@H](CN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N)C1)C2 ZINC001160777735 1073271108 /nfs/dbraw/zinc/27/11/08/1073271108.db2.gz GRPYNWVDOBQXNE-HMVOWMFESA-N 0 3 430.505 -0.185 20 0 IBADHN CCOC(=O)[C@H]1c2[nH]cnc2CCN1C(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1ccc(O)cc1 ZINC001160788829 1073271637 /nfs/dbraw/zinc/27/16/37/1073271637.db2.gz VARNGLIBLLMJKN-QILLFSRXSA-N 0 3 445.476 -0.849 20 0 IBADHN CCOC(=O)[C@@H]1c2[nH]cnc2CCN1C(=O)[C@H](CO)NC(=O)[C@@H](N)Cc1ccc(O)cc1 ZINC001160788830 1073271445 /nfs/dbraw/zinc/27/14/45/1073271445.db2.gz VARNGLIBLLMJKN-ZVZYQTTQSA-N 0 3 445.476 -0.849 20 0 IBADHN CC(C)C[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCN2C(=O)COC[C@H]2C1 ZINC001160790270 1073271599 /nfs/dbraw/zinc/27/15/99/1073271599.db2.gz MQWDWTGACLMIGJ-NEWSRXKRSA-N 0 3 432.521 -0.138 20 0 IBADHN CC(C)C[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N1CCN2C(=O)COC[C@@H]2C1 ZINC001160790271 1073271485 /nfs/dbraw/zinc/27/14/85/1073271485.db2.gz MQWDWTGACLMIGJ-WDSOQIARSA-N 0 3 432.521 -0.138 20 0 IBADHN CCOC(=O)c1cnc2n1CCN(C(=O)[C@@H](N)CCCNC(=O)c1cnccn1)CC2 ZINC001160806114 1073271959 /nfs/dbraw/zinc/27/19/59/1073271959.db2.gz LOWKIKIYWPIAAA-AWEZNQCLSA-N 0 3 429.481 -0.228 20 0 IBADHN N[C@@H](CCCNC(=O)c1cnccn1)C(=O)N1CC(N2CCN(c3ccccn3)CC2)C1 ZINC001160806822 1073272061 /nfs/dbraw/zinc/27/20/61/1073272061.db2.gz XERXBGYAWJJGHQ-SFHVURJKSA-N 0 3 438.536 -0.258 20 0 IBADHN CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCn2nncc2C1 ZINC001160834135 1073272013 /nfs/dbraw/zinc/27/20/13/1073272013.db2.gz YGLQMMBSWZUGEY-HKUYNNGSSA-N 0 3 427.509 -0.553 20 0 IBADHN C[C@H](N)C(=O)N[C@H](CCC(=O)N1CCN(c2ncc(C(F)(F)F)cn2)CC1)C(N)=O ZINC001160843547 1073272464 /nfs/dbraw/zinc/27/24/64/1073272464.db2.gz PJPVEVBXYHPGHT-CMPLNLGQSA-N 0 3 431.419 -0.759 20 0 IBADHN COC(=O)[C@H]1CN(C(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)N)CCN1C ZINC001160870416 1073272454 /nfs/dbraw/zinc/27/24/54/1073272454.db2.gz FJHFCIXWWAYKGB-LUKYLMHMSA-N 0 3 439.557 -0.829 20 0 IBADHN COC(=O)[C@@H]1CN(C(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)N)CCN1C ZINC001160870418 1073272582 /nfs/dbraw/zinc/27/25/82/1073272582.db2.gz FJHFCIXWWAYKGB-QAETUUGQSA-N 0 3 439.557 -0.829 20 0 IBADHN C[C@H](N)C(=O)N1[C@H](C(=O)N2CCN(CC(=O)NCCc3ccccc3)CC2)COC1(C)C ZINC001160895040 1073273068 /nfs/dbraw/zinc/27/30/68/1073273068.db2.gz UIJAJGCBTUXBPD-HKUYNNGSSA-N 0 3 445.564 -0.200 20 0 IBADHN O=C(CN1CCN(C(=O)[C@H]2CCS(=O)(=O)C23CNC3)CC1)NCCc1ccccc1 ZINC001160895214 1073273053 /nfs/dbraw/zinc/27/30/53/1073273053.db2.gz WOOPOPPUOKJVLB-GOSISDBHSA-N 0 3 434.562 -0.734 20 0 IBADHN O=C(CN1CCN(C(=O)[C@@H]2CCS(=O)(=O)C23CNC3)CC1)NCCc1ccccc1 ZINC001160895215 1073273015 /nfs/dbraw/zinc/27/30/15/1073273015.db2.gz WOOPOPPUOKJVLB-SFHVURJKSA-N 0 3 434.562 -0.734 20 0 IBADHN C[C@H](N)C(=O)N[C@H](CCC(=O)N1CCC(n2nnc3ccccc3c2=O)CC1)C(N)=O ZINC001160903739 1073273084 /nfs/dbraw/zinc/27/30/84/1073273084.db2.gz ARWNIWWZSZSRCR-BLLLJJGKSA-N 0 3 429.481 -0.948 20 0 IBADHN CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N(CCO)CC(F)(F)F)C(=O)CF ZINC001160909094 1073272924 /nfs/dbraw/zinc/27/29/24/1073272924.db2.gz LREBXYZPZYFBGD-MJVIPROJSA-N 0 3 444.426 -0.729 20 0 IBADHN O=C([C@@H]1CCS(=O)(=O)C12CNC2)N1CCC2(CC1)C(=O)NCN2c1ccc(F)cc1 ZINC001160915769 1073272988 /nfs/dbraw/zinc/27/29/88/1073272988.db2.gz LXWUROXAMIWCFQ-INIZCTEOSA-N 0 3 436.509 -0.143 20 0 IBADHN O=C([C@H]1CCS(=O)(=O)C12CNC2)N1CCC2(CC1)C(=O)NCN2c1ccc(F)cc1 ZINC001160915770 1073273124 /nfs/dbraw/zinc/27/31/24/1073273124.db2.gz LXWUROXAMIWCFQ-MRXNPFEDSA-N 0 3 436.509 -0.143 20 0 IBADHN CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CC(=O)N(C)C[C@@H]1C ZINC001160940817 1073273565 /nfs/dbraw/zinc/27/35/65/1073273565.db2.gz HAAYELDSGFSZSC-KNBMTAEXSA-N 0 3 431.537 -0.498 20 0 IBADHN COCCOc1cccc(N2CCN(C(=O)CC[C@@H](NC(=O)[C@H](C)N)C(N)=O)CC2)c1 ZINC001160944174 1073273699 /nfs/dbraw/zinc/27/36/99/1073273699.db2.gz XNPMAFDMUNOTTL-MAUKXSAKSA-N 0 3 435.525 -0.542 20 0 IBADHN C[C@H](N)C(=O)N[C@H](CCC(=O)N1CC[C@@H](C)[C@@H](N(C)c2ncnc3[nH]ccc32)C1)C(N)=O ZINC001160958959 1073273665 /nfs/dbraw/zinc/27/36/65/1073273665.db2.gz KHCXCQIHYVBOIK-CLWVCHIJSA-N 0 3 444.540 -0.271 20 0 IBADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CC[C@@H](C)[C@@H](N(C)c2ncnc3[nH]ccc32)C1 ZINC001160959580 1073273747 /nfs/dbraw/zinc/27/37/47/1073273747.db2.gz VOQSXPPSRWWTMG-DHMWGJHJSA-N 0 3 430.513 -0.662 20 0 IBADHN COc1ccc(CN2C(=O)N[C@@]3(CCN(C(=O)[C@@H]4COC5(CNC5)CN4)C3)C2=O)cc1 ZINC001160961620 1073273486 /nfs/dbraw/zinc/27/34/86/1073273486.db2.gz BMYBPOPVEGECMI-HRAATJIYSA-N 0 3 429.477 -0.952 20 0 IBADHN COc1ccc(CN2C(=O)N[C@]3(CCN(C(=O)[C@H]4COC5(CNC5)CN4)C3)C2=O)cc1 ZINC001160961621 1073273546 /nfs/dbraw/zinc/27/35/46/1073273546.db2.gz BMYBPOPVEGECMI-IERDGZPVSA-N 0 3 429.477 -0.952 20 0 IBADHN COc1ccc(CN2C(=O)N[C@@]3(CCN(C(=O)[C@H]4COC5(CNC5)CN4)C3)C2=O)cc1 ZINC001160961622 1073273517 /nfs/dbraw/zinc/27/35/17/1073273517.db2.gz BMYBPOPVEGECMI-IIBYNOLFSA-N 0 3 429.477 -0.952 20 0 IBADHN COc1ccc(CN2C(=O)N[C@]3(CCN(C(=O)[C@@H]4COC5(CNC5)CN4)C3)C2=O)cc1 ZINC001160961623 1073273500 /nfs/dbraw/zinc/27/35/00/1073273500.db2.gz BMYBPOPVEGECMI-KKSFZXQISA-N 0 3 429.477 -0.952 20 0 IBADHN COc1ccc(CN2C(=O)N[C@@]3(CCN(C(=O)[C@H](N)CCCNC(N)=O)C3)C2=O)cc1 ZINC001160964742 1073274087 /nfs/dbraw/zinc/27/40/87/1073274087.db2.gz PXTRHZFAQUGPPY-FOIQADDNSA-N 0 3 432.481 -0.506 20 0 IBADHN COc1ccc(CN2C(=O)N[C@@]3(CCN(C(=O)[C@@H](N)CCCNC(N)=O)C3)C2=O)cc1 ZINC001160964743 1073274064 /nfs/dbraw/zinc/27/40/64/1073274064.db2.gz PXTRHZFAQUGPPY-MGPUTAFESA-N 0 3 432.481 -0.506 20 0 IBADHN COc1ccc(CN2C(=O)N[C@]3(CCN(C(=O)[C@H](N)CCCNC(N)=O)C3)C2=O)cc1 ZINC001160964744 1073274092 /nfs/dbraw/zinc/27/40/92/1073274092.db2.gz PXTRHZFAQUGPPY-QRWLVFNGSA-N 0 3 432.481 -0.506 20 0 IBADHN COc1ccc(CN2C(=O)N[C@]3(CCN(C(=O)[C@@H](N)CCCNC(N)=O)C3)C2=O)cc1 ZINC001160964745 1073274026 /nfs/dbraw/zinc/27/40/26/1073274026.db2.gz PXTRHZFAQUGPPY-YWZLYKJASA-N 0 3 432.481 -0.506 20 0 IBADHN COC(=O)c1cc(S(N)(=O)=O)cnc1-n1cc(Br)ccc1=NCCN ZINC001160976678 1073274556 /nfs/dbraw/zinc/27/45/56/1073274556.db2.gz ADJNUFNSENHXLP-UHFFFAOYSA-N 0 3 430.284 -0.072 20 0 IBADHN C[C@@H](N)C(=O)N1C[C@@H](N2CCN(c3ncccn3)CC2)C[C@H]1C(=O)N1CCC(F)(F)C1 ZINC001160993577 1073275456 /nfs/dbraw/zinc/27/54/56/1073275456.db2.gz XGPRLNSPOAQOGU-PMPSAXMXSA-N 0 3 437.495 -0.217 20 0 IBADHN CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N1CCC(C(N)=S)CC1)C(=O)CF ZINC001161031387 1073275838 /nfs/dbraw/zinc/27/58/38/1073275838.db2.gz CNNUZQJTLUPSAA-RBOXIYTFSA-N 0 3 445.561 -0.587 20 0 IBADHN CSc1nc(Cl)cc(N2CCCN(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N)CC2)n1 ZINC001161055858 1073275873 /nfs/dbraw/zinc/27/58/73/1073275873.db2.gz IMEJPPPEXWAEKP-QWRGUYRKSA-N 0 3 443.961 -0.402 20 0 IBADHN N[C@@H](CCCNC(=O)c1cnccn1)C(=O)N1CC[C@@H](NS(=O)(=O)c2ccccn2)C1 ZINC001161066519 1073276363 /nfs/dbraw/zinc/27/63/63/1073276363.db2.gz AFEPWCFOMZRHCM-CABCVRRESA-N 0 3 447.521 -0.712 20 0 IBADHN N[C@@H](CCCNC(=O)c1cnccn1)C(=O)N1CC[C@H](NS(=O)(=O)c2ccccn2)C1 ZINC001161066520 1073276377 /nfs/dbraw/zinc/27/63/77/1073276377.db2.gz AFEPWCFOMZRHCM-GJZGRUSLSA-N 0 3 447.521 -0.712 20 0 IBADHN C[C@H](N)C(=O)N1[C@H](C(=O)N2CC[C@H](NS(=O)(=O)c3ccccn3)C2)COC1(C)C ZINC001161068729 1073276278 /nfs/dbraw/zinc/27/62/78/1073276278.db2.gz WEPLUFSYTGZEBZ-IHRRRGAJSA-N 0 3 425.511 -0.729 20 0 IBADHN C[C@H](N)C(=O)N1[C@H](C(=O)N2CC[C@@H](NS(=O)(=O)c3ccccn3)C2)COC1(C)C ZINC001161068730 1073276204 /nfs/dbraw/zinc/27/62/04/1073276204.db2.gz WEPLUFSYTGZEBZ-MJBXVCDLSA-N 0 3 425.511 -0.729 20 0 IBADHN CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)C(=O)N1CCC2(CNC(=O)N2)CC1 ZINC001161084407 1073276770 /nfs/dbraw/zinc/27/67/70/1073276770.db2.gz WYRIPMAHNFRUBJ-JYJNAYRXSA-N 0 3 436.557 -0.471 20 0 IBADHN CCOC(=O)[C@H]1COCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N ZINC001161093478 1073276943 /nfs/dbraw/zinc/27/69/43/1073276943.db2.gz OYQXMZUALKMAIH-LUKYLMHMSA-N 0 3 440.541 -0.354 20 0 IBADHN CCOC(=O)[C@@H]1COCCN1C(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N ZINC001161093479 1073276961 /nfs/dbraw/zinc/27/69/61/1073276961.db2.gz OYQXMZUALKMAIH-QAETUUGQSA-N 0 3 440.541 -0.354 20 0 IBADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCN(c2ccc(C(=O)OC(C)(C)C)cc2)CC1 ZINC001161096825 1073276808 /nfs/dbraw/zinc/27/68/08/1073276808.db2.gz MRCAVUAUGQOJIR-YOEHRIQHSA-N 0 3 447.536 -0.002 20 0 IBADHN O=C([C@@H]1C[C@H](N2CCN(C(=O)c3cc(=O)[n-]c(=O)[nH]3)CC2)C[NH2+]1)N1CCC(F)(F)C1 ZINC001161124537 1073279220 /nfs/dbraw/zinc/27/92/20/1073279220.db2.gz YSJXVJWCPIWPCW-RYUDHWBXSA-N 0 3 426.424 -0.756 20 0 IBADHN CCN(CCC(=O)OC)C(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)C(C)C)C(=O)CF ZINC001161133071 1073279208 /nfs/dbraw/zinc/27/92/08/1073279208.db2.gz XDZRSWLNIGGWAY-DCGLDWPTSA-N 0 3 432.493 -0.701 20 0 IBADHN COC(=O)C[C@@H]1CN(Cc2ccccc2)CCN1C(=O)CC[C@@H](NC(=O)[C@H](C)N)C(N)=O ZINC001161146143 1073279923 /nfs/dbraw/zinc/27/99/23/1073279923.db2.gz NMKLWPWMFKTTIH-CGTJXYLNSA-N 0 3 447.536 -0.640 20 0 IBADHN COC(=O)C[C@H]1CN(Cc2ccccc2)CCN1C(=O)CC[C@@H](NC(=O)[C@H](C)N)C(N)=O ZINC001161146144 1073280295 /nfs/dbraw/zinc/28/02/95/1073280295.db2.gz NMKLWPWMFKTTIH-RYQLBKOJSA-N 0 3 447.536 -0.640 20 0 IBADHN CN(C)S(=O)(=O)c1ccc(N2CCN(C(=O)c3[nH]nc4c3CNC4)CC2)c2nonc21 ZINC001161152944 1073280230 /nfs/dbraw/zinc/28/02/30/1073280230.db2.gz BWJQYXMBHFZFOF-UHFFFAOYSA-N 0 3 446.493 -0.238 20 0 IBADHN CN(C)S(=O)(=O)c1ccc(N2CCN(C(=O)[C@@H]3CNCCN3C)CC2)c2nonc21 ZINC001161153470 1073280696 /nfs/dbraw/zinc/28/06/96/1073280696.db2.gz JLEJETSCWYHBFK-AWEZNQCLSA-N 0 3 437.526 -0.975 20 0 IBADHN CN(C)S(=O)(=O)c1ccc(N2CCN(C(=O)[C@H]3CNCCN3C)CC2)c2nonc21 ZINC001161153471 1073280793 /nfs/dbraw/zinc/28/07/93/1073280793.db2.gz JLEJETSCWYHBFK-CQSZACIVSA-N 0 3 437.526 -0.975 20 0 IBADHN CN(C)S(=O)(=O)c1ccc(N2CCN(C(=O)[C@H](N)Cc3cnc[nH]3)CC2)c2nonc21 ZINC001161153634 1073280758 /nfs/dbraw/zinc/28/07/58/1073280758.db2.gz MFFLHTAKTZYJON-CYBMUJFWSA-N 0 3 448.509 -0.585 20 0 IBADHN CN(C)S(=O)(=O)c1ccc(N2CCN(C(=O)[C@H](N)Cc3c[nH]cn3)CC2)c2nonc21 ZINC001161153634 1073280753 /nfs/dbraw/zinc/28/07/53/1073280753.db2.gz MFFLHTAKTZYJON-CYBMUJFWSA-N 0 3 448.509 -0.585 20 0 IBADHN CN(C)S(=O)(=O)c1ccc(N2CCN(C(=O)[C@@H](N)Cc3cnc[nH]3)CC2)c2nonc21 ZINC001161153635 1073280827 /nfs/dbraw/zinc/28/08/27/1073280827.db2.gz MFFLHTAKTZYJON-ZDUSSCGKSA-N 0 3 448.509 -0.585 20 0 IBADHN CN(C)S(=O)(=O)c1ccc(N2CCN(C(=O)[C@@H](N)Cc3c[nH]cn3)CC2)c2nonc21 ZINC001161153635 1073280824 /nfs/dbraw/zinc/28/08/24/1073280824.db2.gz MFFLHTAKTZYJON-ZDUSSCGKSA-N 0 3 448.509 -0.585 20 0 IBADHN CN(C)S(=O)(=O)c1ccc(N2CCN(C(=O)C3(N)CC(F)C3)CC2)c2nonc21 ZINC001161154380 1073281190 /nfs/dbraw/zinc/28/11/90/1073281190.db2.gz YUEMRIUDVFGVAL-UHFFFAOYSA-N 0 3 426.474 -0.049 20 0 IBADHN CN(C)S(=O)(=O)c1ccc(N2CCN(C(=O)C[C@H]3CNCCO3)CC2)c2nonc21 ZINC001161154401 1073281589 /nfs/dbraw/zinc/28/15/89/1073281589.db2.gz ZNGLMEDIDHHTSI-ZDUSSCGKSA-N 0 3 438.510 -0.500 20 0 IBADHN CCOC(=O)c1cnn2c1nccc2[C@@H]1CN(C(=O)[C@H](N)CCCNC(N)=O)CCO1 ZINC001161169670 1073281559 /nfs/dbraw/zinc/28/15/59/1073281559.db2.gz VDPDHJKVWFGJPG-HIFRSBDPSA-N 0 3 433.469 -0.418 20 0 IBADHN CCOC(=O)c1cnn2c1nccc2[C@H]1CN(C(=O)[C@H](N)CCCNC(N)=O)CCO1 ZINC001161169672 1073281641 /nfs/dbraw/zinc/28/16/41/1073281641.db2.gz VDPDHJKVWFGJPG-UKRRQHHQSA-N 0 3 433.469 -0.418 20 0 IBADHN CCOC(=O)c1cnn2c1nccc2[C@H]1CN(C(=O)[C@H]2COC3(CNC3)CN2)CCO1 ZINC001161170362 1073281565 /nfs/dbraw/zinc/28/15/65/1073281565.db2.gz ZARSPCPLNNHAAM-GDBMZVCRSA-N 0 3 430.465 -0.864 20 0 IBADHN CCOC(=O)c1cnn2c1nccc2[C@H]1CN(C(=O)[C@@H]2COC3(CNC3)CN2)CCO1 ZINC001161170363 1073281547 /nfs/dbraw/zinc/28/15/47/1073281547.db2.gz ZARSPCPLNNHAAM-GOEBONIOSA-N 0 3 430.465 -0.864 20 0 IBADHN CCOC(=O)c1cnn2c1nccc2[C@@H]1CN(C(=O)[C@@H]2COC3(CNC3)CN2)CCO1 ZINC001161170364 1073281583 /nfs/dbraw/zinc/28/15/83/1073281583.db2.gz ZARSPCPLNNHAAM-HOCLYGCPSA-N 0 3 430.465 -0.864 20 0 IBADHN CCOC(=O)c1cnn2c1nccc2[C@@H]1CN(C(=O)[C@H]2COC3(CNC3)CN2)CCO1 ZINC001161170365 1073282167 /nfs/dbraw/zinc/28/21/67/1073282167.db2.gz ZARSPCPLNNHAAM-ZBFHGGJFSA-N 0 3 430.465 -0.864 20 0 IBADHN CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)C(=O)N1Cc2ccnn2CC[C@@H]1CO ZINC001161172429 1073282108 /nfs/dbraw/zinc/28/21/08/1073282108.db2.gz UIAWFFWTNHZJSX-NQYYFHDYSA-N 0 3 448.568 -0.155 20 0 IBADHN CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)C(=O)N1Cc2ccnn2CC[C@H]1CO ZINC001161172432 1073282022 /nfs/dbraw/zinc/28/20/22/1073282022.db2.gz UIAWFFWTNHZJSX-WNHJNPCNSA-N 0 3 448.568 -0.155 20 0 IBADHN COC(=O)[C@H]1CN(C)CCN1C(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N ZINC001161237566 1073282815 /nfs/dbraw/zinc/28/28/15/1073282815.db2.gz MLLVGVWMGLYLRI-LUKYLMHMSA-N 0 3 439.557 -0.829 20 0 IBADHN COC(=O)[C@@H]1CN(C)CCN1C(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N ZINC001161237567 1073282910 /nfs/dbraw/zinc/28/29/10/1073282910.db2.gz MLLVGVWMGLYLRI-QAETUUGQSA-N 0 3 439.557 -0.829 20 0 IBADHN CSCC[C@H](N)C(=O)N[C@@H](CCSC)C(=O)N1CCN(c2ncncn2)CC1 ZINC001161247858 1073283053 /nfs/dbraw/zinc/28/30/53/1073283053.db2.gz LKMMYSMEOMSZNL-KBPBESRZSA-N 0 3 427.600 -0.162 20 0 IBADHN COc1ccc(S(=O)(=O)NC2CCN(C(=O)[C@@H](N)CCCNC(N)=O)CC2)cc1 ZINC001161263655 1073283085 /nfs/dbraw/zinc/28/30/85/1073283085.db2.gz AVASVKWJWOHXKP-INIZCTEOSA-N 0 3 427.527 -0.260 20 0 IBADHN COc1ccc(S(=O)(=O)NC2CCN(C(=O)[C@H](N)CCCNC(N)=O)CC2)cc1 ZINC001161263656 1073282859 /nfs/dbraw/zinc/28/28/59/1073282859.db2.gz AVASVKWJWOHXKP-MRXNPFEDSA-N 0 3 427.527 -0.260 20 0 IBADHN CNC(=O)NC1CCN(C(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)N)CC1 ZINC001161269266 1073283509 /nfs/dbraw/zinc/28/35/09/1073283509.db2.gz VTZMBMMRGDDEET-XIRDDKMYSA-N 0 3 438.573 -0.225 20 0 IBADHN N[C@@H](CCCNC(=O)c1cnccn1)C(=O)N1CCC(NC(=O)N2CCOCC2)CC1 ZINC001161269312 1073283491 /nfs/dbraw/zinc/28/34/91/1073283491.db2.gz XLCLYXAYNDSVOM-INIZCTEOSA-N 0 3 433.513 -0.653 20 0 IBADHN CC(=O)N[C@@H]1CCCN(C(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](N)C(C)C)C1 ZINC001161269694 1073283502 /nfs/dbraw/zinc/28/35/02/1073283502.db2.gz DPHYLBYYEITTAM-DYXWJJEUSA-N 0 3 445.564 -0.060 20 0 IBADHN CC(=O)N[C@@H]1CCCN(C(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)C(C)C)C(=O)CF)C1 ZINC001161269857 1073283397 /nfs/dbraw/zinc/28/33/97/1073283397.db2.gz FDLJLLTZKSQRFW-OGIUKLMXSA-N 0 3 443.520 -0.985 20 0 IBADHN N[C@@H](CCCNC(=O)c1cnccn1)C(=O)N1CCC(N2CCCCS2(=O)=O)CC1 ZINC001161270738 1073283428 /nfs/dbraw/zinc/28/34/28/1073283428.db2.gz WQSJCACNARMGIH-INIZCTEOSA-N 0 3 438.554 -0.270 20 0 IBADHN CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCSC)C(=O)N1CCN(C(C)=O)[C@@H](C(=O)OC)C1 ZINC001161296147 1073284227 /nfs/dbraw/zinc/28/42/27/1073284227.db2.gz QBRUTOSRSLUIQF-HNKHHVNMSA-N 0 3 430.571 -0.170 20 0 IBADHN CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCSC)C(=O)N1CCN(C(C)=O)[C@H](C(=O)OC)C1 ZINC001161296149 1073284148 /nfs/dbraw/zinc/28/41/48/1073284148.db2.gz QBRUTOSRSLUIQF-TUUVXOQKSA-N 0 3 430.571 -0.170 20 0 IBADHN CCn1c2ccccc2nc1N1CCN(C(=O)CC[C@@H](NC(=O)[C@H](C)N)C(N)=O)CC1 ZINC001161296595 1073284257 /nfs/dbraw/zinc/28/42/57/1073284257.db2.gz KVIKGXSOKRAMIN-GOEBONIOSA-N 0 3 429.525 -0.198 20 0 IBADHN COC(=O)[C@@H]1CN(C(=O)[C@H](CCSC)NC(=O)[C@@H](N)CCSC)CCN1C(C)=O ZINC001161297365 1073284280 /nfs/dbraw/zinc/28/42/80/1073284280.db2.gz XEQJEYSUOWVWRE-KKUMJFAQSA-N 0 3 448.611 -0.463 20 0 IBADHN COC(=O)[C@H]1CN(C(=O)[C@H](CCSC)NC(=O)[C@@H](N)CCSC)CCN1C(C)=O ZINC001161297366 1073284242 /nfs/dbraw/zinc/28/42/42/1073284242.db2.gz XEQJEYSUOWVWRE-SOUVJXGZSA-N 0 3 448.611 -0.463 20 0 IBADHN COC(=O)[C@H]1CN(C(=O)[C@@H](N)Cc2cc(=O)oc3cc(OC)ccc23)CCN1C(C)=O ZINC001161297657 1073284599 /nfs/dbraw/zinc/28/45/99/1073284599.db2.gz YOOVLXAOTMAYPJ-DLBZAZTESA-N 0 3 431.445 -0.096 20 0 IBADHN COC(=O)[C@@H]1CN(C(=O)[C@@H](N)Cc2cc(=O)oc3cc(OC)ccc23)CCN1C(C)=O ZINC001161297659 1073284717 /nfs/dbraw/zinc/28/47/17/1073284717.db2.gz YOOVLXAOTMAYPJ-IRXDYDNUSA-N 0 3 431.445 -0.096 20 0 IBADHN C[C@H](N)C(=O)N[C@H](CCC(=O)N1CCC[C@@H](N2Cc3c(cccc3F)C2=O)C1)C(N)=O ZINC001161315501 1073284746 /nfs/dbraw/zinc/28/47/46/1073284746.db2.gz FXRBMLMGSXJCHB-OGHNNQOOSA-N 0 3 433.484 -0.130 20 0 IBADHN C[C@H](N)C(=O)N[C@H](CCC(=O)N1CCC(c2cccc(S(C)(=O)=O)c2)CC1)C(N)=O ZINC001161367785 1073285193 /nfs/dbraw/zinc/28/51/93/1073285193.db2.gz UIXNWHKATWWZIC-SUMWQHHRSA-N 0 3 438.550 -0.106 20 0 IBADHN COC(=O)[C@H]1CN(C(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)C(C)C)C(=O)CF)C[C@@H]1C ZINC001161459289 1073286800 /nfs/dbraw/zinc/28/68/00/1073286800.db2.gz DNUFWYKKSOYJLN-DEEHTKSCSA-N 0 3 444.504 -0.845 20 0 IBADHN C[C@H](N)C(=O)N[C@H](CCC(=O)N1CCN(c2ccc(-c3ncccn3)cc2)CC1)C(N)=O ZINC001161461503 1073286854 /nfs/dbraw/zinc/28/68/54/1073286854.db2.gz STUVTJLVKFQNLS-MAUKXSAKSA-N 0 3 439.520 -0.110 20 0 IBADHN CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1C[C@@H]2COC[C@H](C1)C2=O ZINC001161491623 1073288774 /nfs/dbraw/zinc/28/87/74/1073288774.db2.gz GNTLCRUNSFUVQU-DMUMMCEESA-N 0 3 444.532 -0.513 20 0 IBADHN CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)C(=O)N1CC(N(C)[C@H]2CCOC2)C1 ZINC001161501042 1073288942 /nfs/dbraw/zinc/28/89/42/1073288942.db2.gz XCQHSQYNFUSDFG-CAMMJAKZSA-N 0 3 437.585 -0.213 20 0 IBADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCN(CCCC(=O)c2ccc(F)cc2)CC1 ZINC001161517514 1073290140 /nfs/dbraw/zinc/29/01/40/1073290140.db2.gz RQIHBLAKZMULOE-YOEHRIQHSA-N 0 3 435.500 -0.360 20 0 IBADHN Cc1nc2c(o1)CCN(C(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)C(C)C)C(=O)CF)C2 ZINC001161522791 1073290002 /nfs/dbraw/zinc/29/00/02/1073290002.db2.gz HMJPNGXKXQAVDT-FNFWKMNBSA-N 0 3 439.488 -0.231 20 0 IBADHN CO[C@@H]1CCN(C(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)C(C)C)C(=O)CF)[C@H](C)C1 ZINC001161534557 1073290171 /nfs/dbraw/zinc/29/01/71/1073290171.db2.gz OBQXSWKTJWJWGW-JSEZXORMSA-N 0 3 430.521 -0.086 20 0 IBADHN CN(C)CCN1C[C@H](C(=O)N(C)CCOc2ccc(S(N)(=O)=O)cc2F)CC1=O ZINC001161568600 1073290205 /nfs/dbraw/zinc/29/02/05/1073290205.db2.gz PZWBMYLOJGDOAZ-CYBMUJFWSA-N 0 3 430.502 -0.280 20 0 IBADHN CN(C)CCN1C[C@@H](C(=O)N(C)CCOc2ccc(S(N)(=O)=O)cc2F)CC1=O ZINC001161568601 1073290221 /nfs/dbraw/zinc/29/02/21/1073290221.db2.gz PZWBMYLOJGDOAZ-ZDUSSCGKSA-N 0 3 430.502 -0.280 20 0 IBADHN COCCOC1CN(C(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](N)C(C)C)C1 ZINC001161572582 1073290501 /nfs/dbraw/zinc/29/05/01/1073290501.db2.gz UMRAVCXVRCYQRB-ICSRJNTNSA-N 0 3 434.537 -0.313 20 0 IBADHN CN(C)CC(=O)N[C@H]1CC[C@H](Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)CC1 ZINC001161666373 1073290542 /nfs/dbraw/zinc/29/05/42/1073290542.db2.gz WIYMKAAKXSSUHO-QAQDUYKDSA-N 0 3 448.572 -0.632 20 0 IBADHN CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNc1cc(CN)ncn1)C(N)=O ZINC001162274323 1073297919 /nfs/dbraw/zinc/29/79/19/1073297919.db2.gz XGHQIGIWAHRUHM-KBPBESRZSA-N 0 3 425.559 -0.399 20 0 IBADHN NS(=O)(=O)c1c(-n2cnc(C[NH3+])c2)ccc(I)c1-c1nnn[n-]1 ZINC001162301990 1073297864 /nfs/dbraw/zinc/29/78/64/1073297864.db2.gz GXTVWBMQHIWXSE-UHFFFAOYSA-N 0 3 446.234 -0.237 20 0 IBADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)[C@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 ZINC001162947963 1073301830 /nfs/dbraw/zinc/30/18/30/1073301830.db2.gz DWXYRASFBBXDAD-DOMZBBRYSA-N 0 3 432.930 -0.442 20 0 IBADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 ZINC001162947964 1073301728 /nfs/dbraw/zinc/30/17/28/1073301728.db2.gz DWXYRASFBBXDAD-IUODEOHRSA-N 0 3 432.930 -0.442 20 0 IBADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 ZINC001162947965 1073301766 /nfs/dbraw/zinc/30/17/66/1073301766.db2.gz DWXYRASFBBXDAD-SWLSCSKDSA-N 0 3 432.930 -0.442 20 0 IBADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)[C@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 ZINC001162947966 1073301867 /nfs/dbraw/zinc/30/18/67/1073301867.db2.gz DWXYRASFBBXDAD-WFASDCNBSA-N 0 3 432.930 -0.442 20 0 IBADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1 ZINC001162948143 1073301778 /nfs/dbraw/zinc/30/17/78/1073301778.db2.gz IRWYXNBKGUDIGZ-LXZKKBNFSA-N 0 3 442.513 -0.472 20 0 IBADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1 ZINC001162948145 1073301782 /nfs/dbraw/zinc/30/17/82/1073301782.db2.gz IRWYXNBKGUDIGZ-UNEWFSDZSA-N 0 3 442.513 -0.472 20 0 IBADHN NC(=O)[C@H](Cc1cn(-c2cc(N)ncn2)c2ccccc12)NC(=O)[C@@H](N)Cc1cnc[nH]1 ZINC001163428612 1073303817 /nfs/dbraw/zinc/30/38/17/1073303817.db2.gz RAYHFPPDUZUXPT-HOTGVXAUSA-N 0 3 433.476 -0.192 20 0 IBADHN NC(=O)[C@H](Cc1cn(-c2cc(N)ncn2)c2ccccc12)NC(=O)[C@@H](N)Cc1c[nH]cn1 ZINC001163428612 1073303812 /nfs/dbraw/zinc/30/38/12/1073303812.db2.gz RAYHFPPDUZUXPT-HOTGVXAUSA-N 0 3 433.476 -0.192 20 0 IBADHN NC(=O)[C@H](Cc1cn(-c2ccnc(N)n2)c2ccccc12)NC(=O)[C@@H](N)Cc1cnc[nH]1 ZINC001163429247 1073303693 /nfs/dbraw/zinc/30/36/93/1073303693.db2.gz WZIHHRLMSRPCRT-HOTGVXAUSA-N 0 3 433.476 -0.192 20 0 IBADHN NC(=O)[C@H](Cc1cn(-c2ccnc(N)n2)c2ccccc12)NC(=O)[C@@H](N)Cc1c[nH]cn1 ZINC001163429247 1073303682 /nfs/dbraw/zinc/30/36/82/1073303682.db2.gz WZIHHRLMSRPCRT-HOTGVXAUSA-N 0 3 433.476 -0.192 20 0 IBADHN O=C(CCCNS(=O)(=O)c1ccc2c(c1)OCCO2)N1CCN2C[C@H](O)C[C@H]2C1 ZINC001164123484 1073306694 /nfs/dbraw/zinc/30/66/94/1073306694.db2.gz QPHGSUIIOGYFKK-LSDHHAIUSA-N 0 3 425.507 -0.206 20 0 IBADHN CCOC(=O)C1CCN(S(=O)(=O)c2cccnc2N(C)S(=O)(=O)CCN)CC1 ZINC001164287203 1073307008 /nfs/dbraw/zinc/30/70/08/1073307008.db2.gz MARWCUWVOAHBBB-UHFFFAOYSA-N 0 3 434.540 -0.230 20 0 IBADHN CNC(=O)CN1CCCC12CCN(c1ncc(S(N)(=O)=O)cc1C(=O)OC)CC2 ZINC001164690303 719745985 /nfs/dbraw/zinc/74/59/85/719745985.db2.gz YZGHIUXIVZPZEM-UHFFFAOYSA-N 0 3 425.511 -0.304 20 0 IBADHN CN1CCN(Cc2cn3c(n2)CN(c2nc4c(c(N5CCOCC5)n2)CNC4)CC3)CC1 ZINC001164798989 721517856 /nfs/dbraw/zinc/51/78/56/721517856.db2.gz VOQPWVOFZOWHOM-UHFFFAOYSA-N 0 3 439.568 -0.120 20 0 IBADHN C(C1CC1)N1C[C@@H]2CN(c3nc(N4CCOCC4)nc(N4CCOCC4)n3)C[C@H](C1)O2 ZINC001164965312 722068606 /nfs/dbraw/zinc/06/86/06/722068606.db2.gz IREGZKVSPGLLSL-HDICACEKSA-N 0 3 431.541 -0.156 20 0 IBADHN COC(=O)c1cnc(N2CC[C@@H]3NCCO[C@H]3C2)c(S(=O)(=O)N2CCOCC2)c1 ZINC001165274253 1073309290 /nfs/dbraw/zinc/30/92/90/1073309290.db2.gz KFGRTKLECPNIQH-GJZGRUSLSA-N 0 3 426.495 -0.544 20 0 IBADHN CN(C)CCN1C[C@H](C(=O)N2CCN(S(=O)(=O)NCc3ccccc3)CC2)CC1=O ZINC001165470408 1073310309 /nfs/dbraw/zinc/31/03/09/1073310309.db2.gz SOLHNNZYCHOPCL-GOSISDBHSA-N 0 3 437.566 -0.425 20 0 IBADHN CN(C)CCN1C[C@@H](C(=O)N2CCN(S(=O)(=O)NCc3ccccc3)CC2)CC1=O ZINC001165470409 1073310191 /nfs/dbraw/zinc/31/01/91/1073310191.db2.gz SOLHNNZYCHOPCL-SFHVURJKSA-N 0 3 437.566 -0.425 20 0 IBADHN O=S1(=O)Cc2cnc(N3CCOCC3)nc2[C@H]2CN(c3ncc4c(n3)CCNC4)C[C@H]21 ZINC001165473036 1073310554 /nfs/dbraw/zinc/31/05/54/1073310554.db2.gz WESOYAQTSDCAHL-DOTOQJQBSA-N 0 3 443.533 -0.350 20 0 IBADHN O=S1(=O)Cc2cnc(N3CCOCC3)nc2[C@H]2CN(c3cc4c(nn3)CCNC4)C[C@H]21 ZINC001165473362 1073310561 /nfs/dbraw/zinc/31/05/61/1073310561.db2.gz TUYNBZRKYVQURI-DOTOQJQBSA-N 0 3 443.533 -0.350 20 0 IBADHN CS(=O)(=O)N1CC[C@@]2(C(=O)N3CCOCC3)CCN(c3cc(CN)ncn3)CC[C@@H]12 ZINC001165612724 1073312533 /nfs/dbraw/zinc/31/25/33/1073312533.db2.gz UGBFPMGYWIRLEM-APWZRJJASA-N 0 3 438.554 -0.585 20 0 IBADHN CN1CC[C@]2(CN(S(C)(=O)=O)CC23CCN(c2ncc4c(n2)CCNC4)CC3)C1=O ZINC001165685450 1073312836 /nfs/dbraw/zinc/31/28/36/1073312836.db2.gz JEQBVNPMMKKBOS-FQEVSTJZSA-N 0 3 434.566 -0.167 20 0 IBADHN CN1CC[C@@]2(CN(S(C)(=O)=O)CC23CCN(c2ncc4c(n2)CCNC4)CC3)C1=O ZINC001165685451 1073312925 /nfs/dbraw/zinc/31/29/25/1073312925.db2.gz JEQBVNPMMKKBOS-HXUWFJFHSA-N 0 3 434.566 -0.167 20 0 IBADHN CN1CC[C@]2(CN(S(C)(=O)=O)CC23CCN(c2cc4c(nn2)CCNC4)CC3)C1=O ZINC001165688847 1073313426 /nfs/dbraw/zinc/31/34/26/1073313426.db2.gz NKPSQLSQCQWENR-FQEVSTJZSA-N 0 3 434.566 -0.167 20 0 IBADHN CN1CC[C@@]2(CN(S(C)(=O)=O)CC23CCN(c2cc4c(nn2)CCNC4)CC3)C1=O ZINC001165688848 1073313325 /nfs/dbraw/zinc/31/33/25/1073313325.db2.gz NKPSQLSQCQWENR-HXUWFJFHSA-N 0 3 434.566 -0.167 20 0 IBADHN O=C(c1nn(-c2nc3c(c(N4CCOCC4)n2)CNC3)c2c1CNC2)N1CCOCC1 ZINC001165862438 1073317817 /nfs/dbraw/zinc/31/78/17/1073317817.db2.gz IGNIYDUVYNVWIV-UHFFFAOYSA-N 0 3 426.481 -0.822 20 0 IBADHN COC(=O)c1cc(S(N)(=O)=O)cnc1-n1nc(C(=O)N2CCC[C@H]2C)c2c1CCNC2 ZINC001165938093 1073318408 /nfs/dbraw/zinc/31/84/08/1073318408.db2.gz YBBFXJWQCWRBPO-LLVKDONJSA-N 0 3 448.505 -0.029 20 0 IBADHN COC(=O)c1cc(S(N)(=O)=O)cnc1-n1nc(C(=O)N2CCC[C@@H]2C)c2c1CCNC2 ZINC001165938096 1073318550 /nfs/dbraw/zinc/31/85/50/1073318550.db2.gz YBBFXJWQCWRBPO-NSHDSACASA-N 0 3 448.505 -0.029 20 0 IBADHN CN(C)CCN(CC(=O)N(C)C)C(=O)[C@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 ZINC001166036568 1073319225 /nfs/dbraw/zinc/31/92/25/1073319225.db2.gz PMNZEEOSQXORTA-HNNXBMFYSA-N 0 3 434.946 -0.542 20 0 IBADHN CN(C)CCN(CC(=O)N(C)C)C(=O)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1 ZINC001166036569 1073319243 /nfs/dbraw/zinc/31/92/43/1073319243.db2.gz PMNZEEOSQXORTA-OAHLLOKOSA-N 0 3 434.946 -0.542 20 0 IBADHN Cn1ccnc1C(=O)NCc1cc(=O)n2c(n1)CN(c1cc3c(nn1)CCNC3)CCC2 ZINC001166482247 1073322516 /nfs/dbraw/zinc/32/25/16/1073322516.db2.gz YMYLNHPXWGTVLP-UHFFFAOYSA-N 0 3 435.492 -0.247 20 0 IBADHN NS(=O)(=O)c1c(-n2cc(C[NH3+])cn2)ccc(I)c1-c1nnn[n-]1 ZINC001168258408 1072886753 /nfs/dbraw/zinc/88/67/53/1072886753.db2.gz RYYAEHUIZFQZCR-UHFFFAOYSA-N 0 3 446.234 -0.237 20 0 IBADHN CC(C)(C)OC(=O)N1CC[C@H](N[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2O)C[C@@H]1C(F)(F)F ZINC001168521903 1072753053 /nfs/dbraw/zinc/75/30/53/1072753053.db2.gz HCVFOBJUBODODX-AOUWHDERSA-N 0 3 430.420 -0.294 20 0 IBADHN CC(C)(C)OC(=O)N1CC[C@H](N[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2O)C[C@H]1C(F)(F)F ZINC001168521905 1072753362 /nfs/dbraw/zinc/75/33/62/1072753362.db2.gz HCVFOBJUBODODX-KUJJACLUSA-N 0 3 430.420 -0.294 20 0 IBADHN CC(C)(C)OC(=O)N1CC[C@H](N[C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)C[C@H]1C(F)(F)F ZINC001168521906 1072753446 /nfs/dbraw/zinc/75/34/46/1072753446.db2.gz HCVFOBJUBODODX-WTPNQPAHSA-N 0 3 430.420 -0.294 20 0 IBADHN CC(C)(C)OC(=O)N1CC[C@H](N[C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)C[C@@H]1C(F)(F)F ZINC001168521908 1072753431 /nfs/dbraw/zinc/75/34/31/1072753431.db2.gz HCVFOBJUBODODX-YKGSMLRWSA-N 0 3 430.420 -0.294 20 0 IBADHN CCOC(=O)CNC(=O)CNC(=O)CN[C@H]1CCN(Cc2ccc(OC)cc2)C(=O)C1 ZINC001168902385 1073593995 /nfs/dbraw/zinc/59/39/95/1073593995.db2.gz AJXYRJZTTKOZRW-INIZCTEOSA-N 0 3 434.493 -0.429 20 0 IBADHN CCOC(=O)CNC(=O)CNC(=O)CN[C@@H]1CCN(Cc2ccc(OC)cc2)C(=O)C1 ZINC001168902386 1073594045 /nfs/dbraw/zinc/59/40/45/1073594045.db2.gz AJXYRJZTTKOZRW-MRXNPFEDSA-N 0 3 434.493 -0.429 20 0 IBADHN COc1ccc(CN2CC[C@@H](NCC(=O)N3CCC[C@H]3C(=O)NCC(N)=O)CC2=O)cc1 ZINC001168919590 1073593957 /nfs/dbraw/zinc/59/39/57/1073593957.db2.gz GETFUGFQQRSUIS-AEFFLSMTSA-N 0 3 445.520 -0.632 20 0 IBADHN COc1ccc(CN2CC[C@H](NCC(=O)N3CCC[C@H]3C(=O)NCC(N)=O)CC2=O)cc1 ZINC001168919591 1073594016 /nfs/dbraw/zinc/59/40/16/1073594016.db2.gz GETFUGFQQRSUIS-WMZOPIPTSA-N 0 3 445.520 -0.632 20 0 IBADHN N=C(N)Nc1nc(CSCCC(=N)N(c2c[n+]([O-])ccn2)S(N)(=O)=O)cs1 ZINC001169180810 1073596590 /nfs/dbraw/zinc/59/65/90/1073596590.db2.gz SFDZDZOYWPAJFK-UHFFFAOYSA-N 0 3 431.529 -0.212 20 0 IBADHN C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)N1CCN(CC(=O)N(C)C)CC1 ZINC001169201949 1073596397 /nfs/dbraw/zinc/59/63/97/1073596397.db2.gz NCMRZJLPNOQHOE-INIZCTEOSA-N 0 3 433.557 -0.302 20 0 IBADHN C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)N1CCN(CC(=O)N(C)C)CC1 ZINC001169201951 1073596507 /nfs/dbraw/zinc/59/65/07/1073596507.db2.gz NCMRZJLPNOQHOE-MRXNPFEDSA-N 0 3 433.557 -0.302 20 0 IBADHN COC(=O)CNC(=O)[C@@H]1CCCN1[C@H](C)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC001169211935 1073597125 /nfs/dbraw/zinc/59/71/25/1073597125.db2.gz KAAVMQUBAVHERK-CABCVRRESA-N 0 3 448.524 -0.254 20 0 IBADHN COC(=O)CNC(=O)[C@@H]1CCCN1[C@@H](C)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC001169211938 1073596951 /nfs/dbraw/zinc/59/69/51/1073596951.db2.gz KAAVMQUBAVHERK-GJZGRUSLSA-N 0 3 448.524 -0.254 20 0 IBADHN C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)N1CCN(c2ncncn2)CC1 ZINC001169222354 1073597463 /nfs/dbraw/zinc/59/74/63/1073597463.db2.gz ZUWRKEGOFLWACA-HNNXBMFYSA-N 0 3 427.513 0.000 20 0 IBADHN C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)N1CCN(c2ncncn2)CC1 ZINC001169222355 1073597398 /nfs/dbraw/zinc/59/73/98/1073597398.db2.gz ZUWRKEGOFLWACA-OAHLLOKOSA-N 0 3 427.513 0.000 20 0 IBADHN CN1CCC(NC(=O)c2ccc(NCCN3CCN(S(C)(=O)=O)CC3)nn2)CC1 ZINC001169337484 1073599385 /nfs/dbraw/zinc/59/93/85/1073599385.db2.gz DAVFDGJSQSFTKK-UHFFFAOYSA-N 0 3 425.559 -0.710 20 0 IBADHN CCOC(=O)[C@@H]1CC[C@H](N2CC[C@@H]3CN(CC(=O)N(C)C)S(=O)(=O)[C@@H]3CC2)CO1 ZINC001169392085 1073599869 /nfs/dbraw/zinc/59/98/69/1073599869.db2.gz NRMMTDZLCGZWOX-LTIDMASMSA-N 0 3 431.555 -0.089 20 0 IBADHN CCOC(=O)[C@H]1CC[C@@H](N2CC[C@@H]3CN(CC(=O)N(C)C)S(=O)(=O)[C@@H]3CC2)CO1 ZINC001169392086 1073600115 /nfs/dbraw/zinc/60/01/15/1073600115.db2.gz NRMMTDZLCGZWOX-QBPKDAKJSA-N 0 3 431.555 -0.089 20 0 IBADHN CCOC(=O)[C@@H]1CC[C@@H](N2CC[C@@H]3CN(CC(=O)N(C)C)S(=O)(=O)[C@@H]3CC2)CO1 ZINC001169392087 1073599831 /nfs/dbraw/zinc/59/98/31/1073599831.db2.gz NRMMTDZLCGZWOX-WCXIOVBPSA-N 0 3 431.555 -0.089 20 0 IBADHN CCOC(=O)[C@H]1CC[C@H](N2CC[C@@H]3CN(CC(=O)N(C)C)S(=O)(=O)[C@@H]3CC2)CO1 ZINC001169392088 1073599931 /nfs/dbraw/zinc/59/99/31/1073599931.db2.gz NRMMTDZLCGZWOX-YYIAUSFCSA-N 0 3 431.555 -0.089 20 0 IBADHN CCN(CC)C(=O)C[C@@H](C)N[C@H]1[C@@H](O)[C@H](n2cnc3c2ncnc3N(C)C)O[C@@H]1CO ZINC001169449983 1073601609 /nfs/dbraw/zinc/60/16/09/1073601609.db2.gz ZIWRJNBRPDELFB-XXNGAHASSA-N 0 3 435.529 -0.252 20 0 IBADHN CCN(CC)C(=O)C[C@H](C)N[C@H]1[C@@H](O)[C@H](n2cnc3c2ncnc3N(C)C)O[C@@H]1CO ZINC001169449984 1073601427 /nfs/dbraw/zinc/60/14/27/1073601427.db2.gz ZIWRJNBRPDELFB-YFBQIGKZSA-N 0 3 435.529 -0.252 20 0 IBADHN CCN(CC)C(=O)C[C@H](C)N[C@@H](C)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O ZINC001169456284 1073601481 /nfs/dbraw/zinc/60/14/81/1073601481.db2.gz IMVBBXLTHKSNFV-MPGHIAIKSA-N 0 3 449.552 -0.354 20 0 IBADHN CCN(CC)C(=O)C[C@@H](C)N[C@@H](C)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O ZINC001169456285 1073601445 /nfs/dbraw/zinc/60/14/45/1073601445.db2.gz IMVBBXLTHKSNFV-VKJFTORMSA-N 0 3 449.552 -0.354 20 0 IBADHN CC(=O)N1CC[C@@H](N2CC[C@H]3N(S(C)(=O)=O)CC[C@@]3(C(=O)N3CCOCC3)CC2)C1 ZINC001169536693 1073602222 /nfs/dbraw/zinc/60/22/22/1073602222.db2.gz GEJJYKOURLGVHK-GGPKGHCWSA-N 0 3 442.582 -0.418 20 0 IBADHN CC(=O)N1CC[C@H](N2CC[C@H]3N(S(C)(=O)=O)CC[C@@]3(C(=O)N3CCOCC3)CC2)C1 ZINC001169536694 1073602098 /nfs/dbraw/zinc/60/20/98/1073602098.db2.gz GEJJYKOURLGVHK-NSHGMRRFSA-N 0 3 442.582 -0.418 20 0 IBADHN CC(=O)N1CCC[C@H](N[C@@H](C)C(=O)NCC(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)C1 ZINC001169598832 1073602948 /nfs/dbraw/zinc/60/29/48/1073602948.db2.gz ZDBHOQRCXOCDCG-OWQGQXMQSA-N 0 3 433.509 -0.990 20 0 IBADHN CC(=O)N1CCC[C@@H](N[C@@H](C)C(=O)NCC(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)C1 ZINC001169598833 1073602907 /nfs/dbraw/zinc/60/29/07/1073602907.db2.gz ZDBHOQRCXOCDCG-XCRHUMRWSA-N 0 3 433.509 -0.990 20 0 IBADHN CC(C)[C@H](N)C(=O)OCCOCn1cnc2c1n(-c1ccnc(CN)c1)c(N)nc2=O ZINC001169979587 1073634288 /nfs/dbraw/zinc/63/42/88/1073634288.db2.gz DRQCYUKCXVVIIX-AWEZNQCLSA-N 0 3 430.469 -0.481 20 0 IBADHN CC(C)[C@H](N)C(=O)OCCOCn1cnc2c1n(-c1cccc(CN)n1)c(N)nc2=O ZINC001169980025 1073633728 /nfs/dbraw/zinc/63/37/28/1073633728.db2.gz LMJMMCDJBCNBHT-AWEZNQCLSA-N 0 3 430.469 -0.481 20 0 IBADHN CC(C)(C)OC(=O)N1C[C@H](N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)C[C@H]1C(=O)N1CCSC1 ZINC001170023546 1073673953 /nfs/dbraw/zinc/67/39/53/1073673953.db2.gz ZAFQJQDQPYUZHM-FWXGHANASA-N 0 3 431.555 -0.411 20 0 IBADHN CC(C)(C)OC(=O)N1C[C@@H](N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)C[C@H]1C(=O)N1CCSC1 ZINC001170023547 1073673970 /nfs/dbraw/zinc/67/39/70/1073673970.db2.gz ZAFQJQDQPYUZHM-TWHJKIGZSA-N 0 3 431.555 -0.411 20 0 IBADHN COC(=O)CNC(=O)CN[C@@H]1C[C@@H](C(=O)N2CCSC2)N(C(=O)OC(C)(C)C)C1 ZINC001170024770 1073676463 /nfs/dbraw/zinc/67/64/63/1073676463.db2.gz CDXNLYSJKDVPFP-OLZOCXBDSA-N 0 3 430.527 -0.224 20 0 IBADHN COC(=O)CNC(=O)CN[C@H]1C[C@@H](C(=O)N2CCSC2)N(C(=O)OC(C)(C)C)C1 ZINC001170024772 1073676261 /nfs/dbraw/zinc/67/62/61/1073676261.db2.gz CDXNLYSJKDVPFP-STQMWFEESA-N 0 3 430.527 -0.224 20 0 IBADHN COC(=O)[C@@H]1CC[C@@H](N[C@@H](C)C(=O)NCC(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)C1 ZINC001170540930 1073935783 /nfs/dbraw/zinc/93/57/83/1073935783.db2.gz WKNZFYFJXZJMBZ-CRNXPOROSA-N 0 3 434.493 -0.659 20 0 IBADHN COC(=O)[C@@H]1CC[C@H](N[C@@H](C)C(=O)NCC(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)C1 ZINC001170540931 1073935762 /nfs/dbraw/zinc/93/57/62/1073935762.db2.gz WKNZFYFJXZJMBZ-GUSZCTEKSA-N 0 3 434.493 -0.659 20 0 IBADHN N[C@H]1[C@H](n2ccc(Nc3nc(Cl)nc4c3CN(C3CC3)CC4)nc2=O)O[C@H](CO)[C@H]1O ZINC001171260847 1074084233 /nfs/dbraw/zinc/08/42/33/1074084233.db2.gz FUALMNDQZYNSAD-DNNBLBMLSA-N 0 3 449.899 -0.637 20 0 IBADHN CCOC(=O)c1cnc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c(=O)n2)cc1N(C)C ZINC001171261743 1074084946 /nfs/dbraw/zinc/08/49/46/1074084946.db2.gz QHMBNHVBMYSJPV-BASLNEPJSA-N 0 3 434.453 -0.963 20 0 IBADHN COCOc1cnc(Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c(=O)n2)cc1C=CN(C)C ZINC001171263609 1074087421 /nfs/dbraw/zinc/08/74/21/1074087421.db2.gz SHVRFNKNLULBOC-XHHASPNUSA-N 0 3 448.480 -0.691 20 0 IBADHN COc1cc2nccc(Nc3ccn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4N)c(=O)n3)c2cc1OC ZINC001171263822 1074087889 /nfs/dbraw/zinc/08/78/89/1074087889.db2.gz UKKWFBOVZZYVEX-NXWXRZEISA-N 0 3 429.433 -0.448 20 0 IBADHN CC(C)N1CCN(c2ccc(Nc3ccn([C@@H]4O[C@H](CO)[C@@H](O)[C@H]4N)c(=O)n3)cn2)CC1 ZINC001171263935 1074087747 /nfs/dbraw/zinc/08/77/47/1074087747.db2.gz XCJRUHJQTWXADW-HUYLIWGRSA-N 0 3 445.524 -0.676 20 0 IBADHN N[C@H]1[C@H](n2ccc(Nc3cccc4cc([C@@H]5CNCCO5)cn43)nc2=O)O[C@H](CO)[C@H]1O ZINC001171264372 1074088287 /nfs/dbraw/zinc/08/82/87/1074088287.db2.gz BXNLDXCAMXKEDX-MZCHELMPSA-N 0 3 442.476 -0.687 20 0 IBADHN N[C@H]1[C@H](n2ccc(Nc3cccc4cc([C@H]5CNCCO5)cn43)nc2=O)O[C@H](CO)[C@H]1O ZINC001171264373 1074089034 /nfs/dbraw/zinc/08/90/34/1074089034.db2.gz BXNLDXCAMXKEDX-UYUBTLJZSA-N 0 3 442.476 -0.687 20 0 IBADHN N[C@H]1[C@H](n2ccc(Nc3cc(Br)cc4cncn43)nc2=O)O[C@H](CO)[C@H]1O ZINC001171267028 1074089962 /nfs/dbraw/zinc/08/99/62/1074089962.db2.gz UDZOXJQCTCBMCT-JUDXGUMMSA-N 0 3 437.254 -0.191 20 0 IBADHN O=C(CN1CCN2C[C@H](O)C[C@H]2C1)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC001171630902 1074123174 /nfs/dbraw/zinc/12/31/74/1074123174.db2.gz HEKUWCRDXYCFDY-DLBZAZTESA-N 0 3 442.969 -0.076 20 0 IBADHN CN(C)CCN1CCN(CC(=O)NN2C(=O)N[C@](C)(CCc3ccccc3)C2=O)CC1=O ZINC001171713241 1074124363 /nfs/dbraw/zinc/12/43/63/1074124363.db2.gz GPNNAUNOOZFRNC-JOCHJYFZSA-N 0 3 444.536 -0.333 20 0 IBADHN CN(C)CCN1CCN(CC(=O)NN2C(=O)N[C@@](C)(CCc3ccccc3)C2=O)CC1=O ZINC001171713246 1074124439 /nfs/dbraw/zinc/12/44/39/1074124439.db2.gz GPNNAUNOOZFRNC-QFIPXVFZSA-N 0 3 444.536 -0.333 20 0 IBADHN O=C(c1ccccc1)N1CCC[C@H](N[C@H]2[C@H](n3ccc(=O)[nH]c3=O)O[C@H](CO)[C@H]2O)CC1 ZINC001171878771 1074124914 /nfs/dbraw/zinc/12/49/14/1074124914.db2.gz UXGGQLONBOAWBI-PJDYVGSDSA-N 0 3 444.488 -0.147 20 0 IBADHN O=C(c1ccccc1)N1CCC[C@@H](N[C@H]2[C@H](n3ccc(=O)[nH]c3=O)O[C@H](CO)[C@H]2O)CC1 ZINC001171878773 1074125208 /nfs/dbraw/zinc/12/52/08/1074125208.db2.gz UXGGQLONBOAWBI-ZZDIOYDHSA-N 0 3 444.488 -0.147 20 0 IBADHN C[C@H](N[C@@H]1CCN(C2CC2)C(=O)C1)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O ZINC001172005659 1074125762 /nfs/dbraw/zinc/12/57/62/1074125762.db2.gz AFYWNPJCLUBFHC-JOQOYGCGSA-N 0 3 445.520 -0.848 20 0 IBADHN C[C@H](N[C@H]1CCN(C2CC2)C(=O)C1)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O ZINC001172005673 1074125726 /nfs/dbraw/zinc/12/57/26/1074125726.db2.gz AFYWNPJCLUBFHC-YEWWUXTCSA-N 0 3 445.520 -0.848 20 0 IBADHN CN(C)c1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](N[C@@H]2CCN(C3CC3)C(=O)C2)[C@H]1O ZINC001172007823 1074125697 /nfs/dbraw/zinc/12/56/97/1074125697.db2.gz FXECFERDIROBQZ-NLOFKEHXSA-N 0 3 431.497 -0.746 20 0 IBADHN CN(C)c1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](N[C@H]2CCN(C3CC3)C(=O)C2)[C@H]1O ZINC001172007835 1074125619 /nfs/dbraw/zinc/12/56/19/1074125619.db2.gz FXECFERDIROBQZ-VNWMROKKSA-N 0 3 431.497 -0.746 20 0 IBADHN CCN1CC[C@H](NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(N)=O)CC1=O ZINC001172039839 1074126468 /nfs/dbraw/zinc/12/64/68/1074126468.db2.gz UEHOCZLOULMCDE-JYJNAYRXSA-N 0 3 443.614 -0.159 20 0 IBADHN CCN1CC[C@@H](NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(N)=O)CC1=O ZINC001172039842 1074126413 /nfs/dbraw/zinc/12/64/13/1074126413.db2.gz UEHOCZLOULMCDE-PMPSAXMXSA-N 0 3 443.614 -0.159 20 0 IBADHN CCN1CC[C@@H](N[C@@H](C)C(=O)NCC(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)CC1=O ZINC001172042582 1074126332 /nfs/dbraw/zinc/12/63/32/1074126332.db2.gz MPLQRXFVIDJAIH-LXZKKBNFSA-N 0 3 433.509 -0.990 20 0 IBADHN CCN1CC[C@H](N[C@@H](C)C(=O)NCC(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)CC1=O ZINC001172042585 1074126349 /nfs/dbraw/zinc/12/63/49/1074126349.db2.gz MPLQRXFVIDJAIH-QRTARXTBSA-N 0 3 433.509 -0.990 20 0 IBADHN COCCCN1CCC(N(Cc2cc(=O)n3c(n2)CNCCC3)S(C)(=O)=O)CC1 ZINC001172252091 1074127439 /nfs/dbraw/zinc/12/74/39/1074127439.db2.gz NLYJZESRSANMJF-UHFFFAOYSA-N 0 3 427.571 -0.001 20 0 IBADHN COC(=O)[C@H]1CCC[C@H](N[C@H]2[C@@H](O)[C@H](n3cnc4c3ncnc4N(C)C)O[C@@H]2CO)C1 ZINC001172599790 1074128087 /nfs/dbraw/zinc/12/80/87/1074128087.db2.gz CDRAFEOKBCFYSW-GCMXLABGSA-N 0 3 434.497 -0.167 20 0 IBADHN COC(=O)[C@@H]1CCC[C@H](N[C@H]2[C@@H](O)[C@H](n3cnc4c3ncnc4N(C)C)O[C@@H]2CO)C1 ZINC001172599796 1074128128 /nfs/dbraw/zinc/12/81/28/1074128128.db2.gz CDRAFEOKBCFYSW-MQLKKTCASA-N 0 3 434.497 -0.167 20 0 IBADHN COC(=O)[C@@H]1CCC[C@@H](N[C@H]2[C@@H](O)[C@H](n3cnc4c3ncnc4N(C)C)O[C@@H]2CO)C1 ZINC001172599799 1074128113 /nfs/dbraw/zinc/12/81/13/1074128113.db2.gz CDRAFEOKBCFYSW-ORTGJZJFSA-N 0 3 434.497 -0.167 20 0 IBADHN COC(=O)[C@H]1CCC[C@@H](N[C@H]2[C@@H](O)[C@H](n3cnc4c3ncnc4N(C)C)O[C@@H]2CO)C1 ZINC001172599801 1074128071 /nfs/dbraw/zinc/12/80/71/1074128071.db2.gz CDRAFEOKBCFYSW-VYHAZPDBSA-N 0 3 434.497 -0.167 20 0 IBADHN COC(=O)[C@@H]1CCC[C@H](N[C@@H](C)C(=O)NCC(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)C1 ZINC001172613305 1074128117 /nfs/dbraw/zinc/12/81/17/1074128117.db2.gz VPNSSBPJQLFNLV-DNMXQMFDSA-N 0 3 448.520 -0.269 20 0 IBADHN COC(=O)[C@H]1CCC[C@H](N[C@@H](C)C(=O)NCC(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)C1 ZINC001172613306 1074128069 /nfs/dbraw/zinc/12/80/69/1074128069.db2.gz VPNSSBPJQLFNLV-MBGYTDRXSA-N 0 3 448.520 -0.269 20 0 IBADHN COC(=O)[C@H]1CCC[C@@H](N[C@@H](C)C(=O)NCC(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)C1 ZINC001172613307 1074128107 /nfs/dbraw/zinc/12/81/07/1074128107.db2.gz VPNSSBPJQLFNLV-SCNOPHJPSA-N 0 3 448.520 -0.269 20 0 IBADHN COC(=O)[C@@H]1CCC[C@@H](N[C@@H](C)C(=O)NCC(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)C1 ZINC001172613308 1074128091 /nfs/dbraw/zinc/12/80/91/1074128091.db2.gz VPNSSBPJQLFNLV-ZDRJDWQYSA-N 0 3 448.520 -0.269 20 0 IBADHN CC(C)(C)OC(=O)CN1CCC(N[C@@H](CO)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)CC1 ZINC001172892830 1074129181 /nfs/dbraw/zinc/12/91/81/1074129181.db2.gz SVBVKMYLQSZUCB-OALUTQOASA-N 0 3 448.564 -0.044 20 0 IBADHN C[C@@H]1CC[C@H](NCC(=O)N2CCC[C@H]2C(=O)NCC(N)=O)CN1C(=O)OC(C)(C)C ZINC001173062491 1074129925 /nfs/dbraw/zinc/12/99/25/1074129925.db2.gz NSAPJLQMWGEBIY-ILXRZTDVSA-N 0 3 425.530 -0.044 20 0 IBADHN C[C@@H]1CC[C@@H](NCC(=O)N2CCC[C@H]2C(=O)NCC(N)=O)CN1C(=O)OC(C)(C)C ZINC001173062492 1074129971 /nfs/dbraw/zinc/12/99/71/1074129971.db2.gz NSAPJLQMWGEBIY-KFWWJZLASA-N 0 3 425.530 -0.044 20 0 IBADHN C[C@H]1CC[C@H](NCC(=O)N2CCC[C@H]2C(=O)NCC(N)=O)CN1C(=O)OC(C)(C)C ZINC001173062493 1074129906 /nfs/dbraw/zinc/12/99/06/1074129906.db2.gz NSAPJLQMWGEBIY-KKUMJFAQSA-N 0 3 425.530 -0.044 20 0 IBADHN C[C@H]1CC[C@@H](NCC(=O)N2CCC[C@H]2C(=O)NCC(N)=O)CN1C(=O)OC(C)(C)C ZINC001173062494 1074129912 /nfs/dbraw/zinc/12/99/12/1074129912.db2.gz NSAPJLQMWGEBIY-ZNMIVQPWSA-N 0 3 425.530 -0.044 20 0 IBADHN O=C(c1ccc(Br)cc1)N1CCC(N[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2O)CC1 ZINC001173392212 1074131104 /nfs/dbraw/zinc/13/11/04/1074131104.db2.gz WFCVQFYMBVPBCE-HBPKQKSZSA-N 0 3 445.310 -0.557 20 0 IBADHN O=C(c1ccc(Br)cc1)N1CCC(N[C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)CC1 ZINC001173392448 1074131057 /nfs/dbraw/zinc/13/10/57/1074131057.db2.gz WFCVQFYMBVPBCE-XSDHEKCYSA-N 0 3 445.310 -0.557 20 0 IBADHN CNC(=O)CN1CCO[C@H]2CN([C@H]3CCN(C(=O)c4ccccc4)[C@H](C(=O)OC)C3)C[C@H]21 ZINC001173509071 1074130949 /nfs/dbraw/zinc/13/09/49/1074130949.db2.gz MKPAIIOHIKPZTC-HAGHYFMRSA-N 0 3 444.532 -0.036 20 0 IBADHN CNC(=O)CN1CCO[C@H]2CN([C@H]3CCN(C(=O)c4ccccc4)[C@@H](C(=O)OC)C3)C[C@H]21 ZINC001173509075 1074130991 /nfs/dbraw/zinc/13/09/91/1074130991.db2.gz MKPAIIOHIKPZTC-NMLBUPMWSA-N 0 3 444.532 -0.036 20 0 IBADHN CNC(=O)CN1CCO[C@H]2CN([C@@H]3CCN(C(=O)c4ccccc4)[C@H](C(=O)OC)C3)C[C@H]21 ZINC001173509077 1074131017 /nfs/dbraw/zinc/13/10/17/1074131017.db2.gz MKPAIIOHIKPZTC-WCIQWLHISA-N 0 3 444.532 -0.036 20 0 IBADHN CNC(=O)CN1CCO[C@H]2CN([C@@H]3CCN(C(=O)c4ccccc4)[C@@H](C(=O)OC)C3)C[C@H]21 ZINC001173509078 1074131553 /nfs/dbraw/zinc/13/15/53/1074131553.db2.gz MKPAIIOHIKPZTC-WTGUMLROSA-N 0 3 444.532 -0.036 20 0 IBADHN COC(=O)[C@@H]1C[C@H](N[C@H]2C[C@H](n3cc(C)c(=O)[nH]c3=O)O[C@@H]2CO)C[C@@H]1C(=O)OC ZINC001173571034 1074131503 /nfs/dbraw/zinc/13/15/03/1074131503.db2.gz UKUYQGDFGOXTLM-PMKSJIGOSA-N 0 3 425.438 -0.764 20 0 IBADHN COC(=O)[C@@H]1C[C@@H](N[C@H]2C[C@H](n3cc(C)c(=O)[nH]c3=O)O[C@@H]2CO)C[C@@H]1C(=O)OC ZINC001173571039 1074131524 /nfs/dbraw/zinc/13/15/24/1074131524.db2.gz UKUYQGDFGOXTLM-XDSHMYFISA-N 0 3 425.438 -0.764 20 0 IBADHN COCCN1CCN(C)C2(CCN([C@H]3C[C@@H](C(=O)OC)[C@@H](C(=O)OC)C3)CC2)C1=O ZINC001173574738 1074131576 /nfs/dbraw/zinc/13/15/76/1074131576.db2.gz MOWYBNHAQYPYHD-BJWYYQGGSA-N 0 3 425.526 -0.018 20 0 IBADHN COCCN1CCN(C)C2(CCN([C@@H]3C[C@@H](C(=O)OC)[C@@H](C(=O)OC)C3)CC2)C1=O ZINC001173574743 1074131440 /nfs/dbraw/zinc/13/14/40/1074131440.db2.gz MOWYBNHAQYPYHD-OSYLJGHBSA-N 0 3 425.526 -0.018 20 0 IBADHN CNC(=O)CN1CCOC[C@@]2(CCCN([C@H]3C[C@@H](C(=O)OC)[C@@H](C(=O)OC)C3)C2)C1 ZINC001173576316 1074132091 /nfs/dbraw/zinc/13/20/91/1074132091.db2.gz ONVCFGDXOFYWCS-DLRJPAPCSA-N 0 3 425.526 -0.112 20 0 IBADHN CNC(=O)CN1CCOC[C@]2(CCCN([C@H]3C[C@@H](C(=O)OC)[C@@H](C(=O)OC)C3)C2)C1 ZINC001173576317 1074132028 /nfs/dbraw/zinc/13/20/28/1074132028.db2.gz ONVCFGDXOFYWCS-KYFSNAEOSA-N 0 3 425.526 -0.112 20 0 IBADHN CNC(=O)CN1CCOC[C@@]2(CCCN([C@@H]3C[C@@H](C(=O)OC)[C@@H](C(=O)OC)C3)C2)C1 ZINC001173576318 1074132044 /nfs/dbraw/zinc/13/20/44/1074132044.db2.gz ONVCFGDXOFYWCS-OPOADAIRSA-N 0 3 425.526 -0.112 20 0 IBADHN CNC(=O)CN1CCOC[C@]2(CCCN([C@@H]3C[C@@H](C(=O)OC)[C@@H](C(=O)OC)C3)C2)C1 ZINC001173576319 1074132153 /nfs/dbraw/zinc/13/21/53/1074132153.db2.gz ONVCFGDXOFYWCS-PZTGFMGMSA-N 0 3 425.526 -0.112 20 0 IBADHN COC(=O)[C@@H]1C[C@@H](N2CC[C@@H]3CN(CC(=O)N(C)C)CCO[C@@H]3C2)C[C@@H]1C(=O)OC ZINC001173578023 1074132125 /nfs/dbraw/zinc/13/21/25/1074132125.db2.gz UWGKKPOLYCAMRF-HSFUPAIVSA-N 0 3 425.526 -0.162 20 0 IBADHN COC(=O)[C@@H]1C[C@H](N2CC[C@@H]3CN(CC(=O)N(C)C)CCO[C@@H]3C2)C[C@@H]1C(=O)OC ZINC001173578031 1074132073 /nfs/dbraw/zinc/13/20/73/1074132073.db2.gz UWGKKPOLYCAMRF-UYTYNIKBSA-N 0 3 425.526 -0.162 20 0 IBADHN COC(=O)[C@@H]1C[C@H](N(Cc2ncn3c2CNCCC3)S(C)(=O)=O)C[C@@H]1C(=O)OC ZINC001173578582 1074131998 /nfs/dbraw/zinc/13/19/98/1074131998.db2.gz YSZKLULSEVCYAV-BTTYYORXSA-N 0 3 428.511 -0.121 20 0 IBADHN COC(=O)[C@@H]1C[C@@H](N(Cc2ncn3c2CNCCC3)S(C)(=O)=O)C[C@@H]1C(=O)OC ZINC001173578585 1074132100 /nfs/dbraw/zinc/13/21/00/1074132100.db2.gz YSZKLULSEVCYAV-ZSOGYDGISA-N 0 3 428.511 -0.121 20 0 IBADHN NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC1CCN(CC(F)(F)F)CC1 ZINC001173668177 1074132756 /nfs/dbraw/zinc/13/27/56/1074132756.db2.gz VHIDNECTAYHLKL-HOTGVXAUSA-N 0 3 432.443 -0.118 20 0 IBADHN CC(C)C[C@H](NC(=O)[C@@H]1CCCN1[C@@H]1CCC[C@@H](n2ncnn2)C1)C(=O)NCC(N)=O ZINC001173766818 1074133081 /nfs/dbraw/zinc/13/30/81/1074133081.db2.gz WMCRYAAOEXFIAJ-NCOADZHNSA-N 0 3 434.545 -0.246 20 0 IBADHN CC(C)C[C@H](NC(=O)[C@@H]1CCCN1[C@H]1CCC[C@H](n2ncnn2)C1)C(=O)NCC(N)=O ZINC001173766819 1074133304 /nfs/dbraw/zinc/13/33/04/1074133304.db2.gz WMCRYAAOEXFIAJ-QAETUUGQSA-N 0 3 434.545 -0.246 20 0 IBADHN CC(C)C[C@H](NC(=O)[C@@H]1CCCN1[C@@H]1CCC[C@H](n2ncnn2)C1)C(=O)NCC(N)=O ZINC001173766820 1074133234 /nfs/dbraw/zinc/13/32/34/1074133234.db2.gz WMCRYAAOEXFIAJ-QZWWFDLISA-N 0 3 434.545 -0.246 20 0 IBADHN CC(C)C[C@H](NC(=O)[C@@H]1CCCN1[C@H]1CCC[C@@H](n2ncnn2)C1)C(=O)NCC(N)=O ZINC001173766821 1074133105 /nfs/dbraw/zinc/13/31/05/1074133105.db2.gz WMCRYAAOEXFIAJ-YVSFHVDLSA-N 0 3 434.545 -0.246 20 0 IBADHN Cc1ccc(CCC(=O)n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c(=O)nc2N)s1 ZINC001175621780 1074141058 /nfs/dbraw/zinc/14/10/58/1074141058.db2.gz MLJSBEXDKWGQNJ-PCYKNENESA-N 0 3 434.478 -0.604 20 0 IBADHN CCN1CCN(c2ccc(Nc3c(C(N)=O)ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)cc2)CC1 ZINC001175783890 1074142084 /nfs/dbraw/zinc/14/20/84/1074142084.db2.gz ZKEWIBUNDVAXFU-QTQZEZTPSA-N 0 3 446.508 -0.521 20 0 IBADHN Cc1nc(S(=O)(=O)NCCC(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)cn1C ZINC001176083649 1074143177 /nfs/dbraw/zinc/14/31/77/1074143177.db2.gz QUOQTTNRPTTWAL-UHFFFAOYSA-N 0 3 440.570 -0.271 20 0 IBADHN Cc1csc(CCC(=O)n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c(=O)nc2N)c1 ZINC001176182700 1074143570 /nfs/dbraw/zinc/14/35/70/1074143570.db2.gz NPUXBJHYGYJIDA-PCYKNENESA-N 0 3 434.478 -0.604 20 0 IBADHN COc1ccc(CN2CCC3(CC2)O[C@H](C(=O)N[C@H](CO)C(N)=O)Cn2ccnc23)cc1 ZINC001176765124 1074150649 /nfs/dbraw/zinc/15/06/49/1074150649.db2.gz NLMAESNFTUJNGC-MSOLQXFVSA-N 0 3 443.504 -0.256 20 0 IBADHN COc1ccc(CN2CCC3(CC2)O[C@@H](C(=O)N[C@H](CO)C(N)=O)Cn2ccnc23)cc1 ZINC001176765125 1074150576 /nfs/dbraw/zinc/15/05/76/1074150576.db2.gz NLMAESNFTUJNGC-QZTJIDSGSA-N 0 3 443.504 -0.256 20 0 IBADHN COc1ccc(CN2CCC3(CC2)O[C@H](C(=O)N[C@@H](CO)C(N)=O)Cn2ccnc23)cc1 ZINC001176765126 1074150556 /nfs/dbraw/zinc/15/05/56/1074150556.db2.gz NLMAESNFTUJNGC-ROUUACIJSA-N 0 3 443.504 -0.256 20 0 IBADHN COc1ccc(CN2CCC3(CC2)O[C@@H](C(=O)N[C@@H](CO)C(N)=O)Cn2ccnc23)cc1 ZINC001176765127 1074150568 /nfs/dbraw/zinc/15/05/68/1074150568.db2.gz NLMAESNFTUJNGC-ZWKOTPCHSA-N 0 3 443.504 -0.256 20 0 IBADHN CN(C)C(=O)N1CCC2(CC1)O[C@H](C(=O)NC1(CO)CCN(C)CC1)Cn1ccnc12 ZINC001176778848 1074150499 /nfs/dbraw/zinc/15/04/99/1074150499.db2.gz YUQHTGNWTOTXMC-INIZCTEOSA-N 0 3 434.541 -0.173 20 0 IBADHN CN(C)C(=O)N1CCC2(CC1)O[C@@H](C(=O)NC1(CO)CCN(C)CC1)Cn1ccnc12 ZINC001176778852 1074150608 /nfs/dbraw/zinc/15/06/08/1074150608.db2.gz YUQHTGNWTOTXMC-MRXNPFEDSA-N 0 3 434.541 -0.173 20 0 IBADHN Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c2n1C(=O)CCCCc1cccs1 ZINC001177490162 1074162955 /nfs/dbraw/zinc/16/29/55/1074162955.db2.gz HNDRTKSBALDGBD-VBVJRUAFSA-N 0 3 448.505 -0.132 20 0 IBADHN Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c2n1C(=O)[C@H]1C[C@@H]1c1cccs1 ZINC001177544122 1074164361 /nfs/dbraw/zinc/16/43/61/1074164361.db2.gz PLBKSGKPKOJNFC-FGJCYVFRSA-N 0 3 432.462 -0.742 20 0 IBADHN Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c2n1C(=O)[C@@H]1C[C@H]1c1cccs1 ZINC001177544123 1074164561 /nfs/dbraw/zinc/16/45/61/1074164561.db2.gz PLBKSGKPKOJNFC-NCAHXCLJSA-N 0 3 432.462 -0.742 20 0 IBADHN Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c2n1C(=O)[C@H]1C[C@H]1c1cccs1 ZINC001177544124 1074164548 /nfs/dbraw/zinc/16/45/48/1074164548.db2.gz PLBKSGKPKOJNFC-OHYVVNDYSA-N 0 3 432.462 -0.742 20 0 IBADHN Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c2n1C(=O)[C@@H]1C[C@@H]1c1cccs1 ZINC001177544125 1074164320 /nfs/dbraw/zinc/16/43/20/1074164320.db2.gz PLBKSGKPKOJNFC-WCRWTMRQSA-N 0 3 432.462 -0.742 20 0 IBADHN CN(C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)Cn2nn[n-]c2=S)[C@@H](O)OC(C)(C)C)C1 ZINC001177742133 1074166679 /nfs/dbraw/zinc/16/66/79/1074166679.db2.gz DXABGUMUAZMGJI-HNRKBYSSSA-N 0 3 431.563 -0.743 20 0 IBADHN CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)Cn2nn[n-]c2=S)[C@@H](O)OC(C)(C)C)C1 ZINC001177742135 1074166687 /nfs/dbraw/zinc/16/66/87/1074166687.db2.gz DXABGUMUAZMGJI-IIPRWVHMSA-N 0 3 431.563 -0.743 20 0 IBADHN CN(C)[C@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)Cn2nn[n-]c2=S)[C@H](O)OC(C)(C)C)C1 ZINC001177742138 1074166807 /nfs/dbraw/zinc/16/68/07/1074166807.db2.gz DXABGUMUAZMGJI-PFSWANKYSA-N 0 3 431.563 -0.743 20 0 IBADHN CN(C)[C@@H](O)[C@H]1CC[C@H]([NH3+])[C@@H](N(C(=O)Cn2nn[n-]c2=S)[C@H](O)OC(C)(C)C)C1 ZINC001177742140 1074166716 /nfs/dbraw/zinc/16/67/16/1074166716.db2.gz DXABGUMUAZMGJI-USVVHCSSSA-N 0 3 431.563 -0.743 20 0 IBADHN CC(C)(Cc1cccnc1)C(=O)n1c2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2N)c(=O)nc1N ZINC001178061357 1074169238 /nfs/dbraw/zinc/16/92/38/1074169238.db2.gz FQDLLQGBKIYOFT-CTWCOEIASA-N 0 3 443.464 -0.943 20 0 IBADHN CC(C)(Cc1ccccn1)C(=O)n1c2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2N)c(=O)nc1N ZINC001178187721 1074170521 /nfs/dbraw/zinc/17/05/21/1074170521.db2.gz WPFISHSGHDWJIB-CTWCOEIASA-N 0 3 443.464 -0.943 20 0 IBADHN CC(C)c1ccnc(CC(=O)n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c(=O)nc2N)c1 ZINC001178225599 1074170954 /nfs/dbraw/zinc/17/09/54/1074170954.db2.gz NLJCSFLUWJYZBA-OZSDWXKXSA-N 0 3 443.464 -0.846 20 0 IBADHN CC(C)(Cc1ccncc1)C(=O)n1c2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2N)c(=O)nc1N ZINC001178254992 1074170459 /nfs/dbraw/zinc/17/04/59/1074170459.db2.gz XCIBRTVTKBNDRA-CTWCOEIASA-N 0 3 443.464 -0.943 20 0 IBADHN CC(C)c1cccc(CC(=O)n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c(=O)nc2N)n1 ZINC001178452952 1074174672 /nfs/dbraw/zinc/17/46/72/1074174672.db2.gz SUWAKPJHKWOKHT-OZSDWXKXSA-N 0 3 443.464 -0.846 20 0 IBADHN O=C(N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O)C1CN(C(c2ccccc2)c2ccccc2)C1 ZINC001178593478 1074175363 /nfs/dbraw/zinc/17/53/63/1074175363.db2.gz XVSAKTHATNKFKB-OPYGSTPGSA-N 0 3 428.485 -0.376 20 0 IBADHN O=C(N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O)C1CN(C(c2ccccc2)c2ccccc2)C1 ZINC001178593479 1074175255 /nfs/dbraw/zinc/17/52/55/1074175255.db2.gz XVSAKTHATNKFKB-QVVZFLMLSA-N 0 3 428.485 -0.376 20 0 IBADHN CCN1CCN(C2CN(C(=O)CNS(=O)(=O)c3ccc(CNC(C)=O)s3)C2)CC1 ZINC001178917081 1074179797 /nfs/dbraw/zinc/17/97/97/1074179797.db2.gz IYTMEJTXIWIXOT-UHFFFAOYSA-N 0 3 443.595 -0.489 20 0 IBADHN Cc1ccc(CC(=O)n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c(=O)nc2N)cc1F ZINC001179939653 1074192948 /nfs/dbraw/zinc/19/29/48/1074192948.db2.gz NOGVTTWKMAAHKP-VBVJRUAFSA-N 0 3 432.412 -0.916 20 0 IBADHN CN(C)CCN1CCN(C)C2(CCN(C(=O)CN3c4ccccc4C(=O)C3=O)CC2)C1=O ZINC001180049217 1074193347 /nfs/dbraw/zinc/19/33/47/1074193347.db2.gz VRTVHQZFXBBHMB-UHFFFAOYSA-N 0 3 441.532 -0.087 20 0 IBADHN Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CC[C@H]2[C@H]1CCCN2CCO ZINC001180054111 1074194055 /nfs/dbraw/zinc/19/40/55/1074194055.db2.gz LAQQHBPUATYNKF-DLBZAZTESA-N 0 3 426.539 -0.283 20 0 IBADHN Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC001180054112 1074194094 /nfs/dbraw/zinc/19/40/94/1074194094.db2.gz LAQQHBPUATYNKF-IAGOWNOFSA-N 0 3 426.539 -0.283 20 0 IBADHN Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC001180054113 1074194029 /nfs/dbraw/zinc/19/40/29/1074194029.db2.gz LAQQHBPUATYNKF-IRXDYDNUSA-N 0 3 426.539 -0.283 20 0 IBADHN Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC001180054114 1074193997 /nfs/dbraw/zinc/19/39/97/1074193997.db2.gz LAQQHBPUATYNKF-SJORKVTESA-N 0 3 426.539 -0.283 20 0 IBADHN COC(=O)C1CC2(C1)C[C@H](NC(=O)[C@H]1CC(=O)N(CCN(C)C)C1)CCS2(=O)=O ZINC001180146044 1074194687 /nfs/dbraw/zinc/19/46/87/1074194687.db2.gz XJACQLIUGZLQHN-MLBPIDQTSA-N 0 3 429.539 -0.588 20 0 IBADHN COC(=O)C1CC2(C1)C[C@H](NC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1)CCS2(=O)=O ZINC001180146045 1074194709 /nfs/dbraw/zinc/19/47/09/1074194709.db2.gz XJACQLIUGZLQHN-PPXVZNSRSA-N 0 3 429.539 -0.588 20 0 IBADHN COC(=O)C1CC2(C1)C[C@@H](NC(=O)[C@H]1CC(=O)N(CCN(C)C)C1)CCS2(=O)=O ZINC001180146046 1074194665 /nfs/dbraw/zinc/19/46/65/1074194665.db2.gz XJACQLIUGZLQHN-RQMAVPSVSA-N 0 3 429.539 -0.588 20 0 IBADHN COC(=O)C1CC2(C1)C[C@@H](NC(=O)[C@@H]1CC(=O)N(CCN(C)C)C1)CCS2(=O)=O ZINC001180146047 1074194572 /nfs/dbraw/zinc/19/45/72/1074194572.db2.gz XJACQLIUGZLQHN-XNDRKVBMSA-N 0 3 429.539 -0.588 20 0 IBADHN Cc1cccc(CCC(=O)n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c(=O)nc2N)c1 ZINC001180168018 1074194622 /nfs/dbraw/zinc/19/46/22/1074194622.db2.gz LISDKYPDWPLICL-OZSDWXKXSA-N 0 3 428.449 -0.665 20 0 IBADHN O=C(CCC(=O)N1CCNC(=O)CC1)N(Cc1ncn2c1CNCCC2)c1ncccn1 ZINC001180267933 1074196596 /nfs/dbraw/zinc/19/65/96/1074196596.db2.gz UFTROXLFHRAMQR-UHFFFAOYSA-N 0 3 440.508 -0.172 20 0 IBADHN NC1(C(=O)NCc2ccccc2)CCN(C(=O)CCC(=O)N2CCNC(=O)CC2)CC1 ZINC001180272188 1074196632 /nfs/dbraw/zinc/19/66/32/1074196632.db2.gz DCPDVBROPODZGJ-UHFFFAOYSA-N 0 3 429.521 -0.249 20 0 IBADHN Cc1ccc(CC(=O)n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c(=O)nc2N)cc1C ZINC001180462827 1074199600 /nfs/dbraw/zinc/19/96/00/1074199600.db2.gz FQZMFNBMEMBXNU-OZSDWXKXSA-N 0 3 428.449 -0.747 20 0 IBADHN Cc1cccc(OCC(=O)n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c(=O)nc2N)c1C ZINC001180500163 1074200484 /nfs/dbraw/zinc/20/04/84/1074200484.db2.gz HBXWBLXYEKIHCI-OZSDWXKXSA-N 0 3 444.448 -0.911 20 0 IBADHN CCc1ccc(OCC(=O)n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c(=O)nc2N)cc1 ZINC001180517784 1074200102 /nfs/dbraw/zinc/20/01/02/1074200102.db2.gz QZWRTNJOTXRDCO-OZSDWXKXSA-N 0 3 444.448 -0.965 20 0 IBADHN Cc1ccccc1O[C@@H](C)C(=O)n1c2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2N)c(=O)nc1N ZINC001180525525 1074200002 /nfs/dbraw/zinc/20/00/02/1074200002.db2.gz CXVNRMLKDQOZQB-UJTCXDOBSA-N 0 3 444.448 -0.831 20 0 IBADHN Cc1ccccc1O[C@H](C)C(=O)n1c2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2N)c(=O)nc1N ZINC001180525526 1074200157 /nfs/dbraw/zinc/20/01/57/1074200157.db2.gz CXVNRMLKDQOZQB-ZOGNHESBSA-N 0 3 444.448 -0.831 20 0 IBADHN Cc1cc(C)cc(OCC(=O)n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c(=O)nc2N)c1 ZINC001180540342 1074200547 /nfs/dbraw/zinc/20/05/47/1074200547.db2.gz KGPRIVQMDYXVNU-OZSDWXKXSA-N 0 3 444.448 -0.911 20 0 IBADHN CC(C)(C)OC(=O)N1CCN2C[C@@H](CNC(=O)CN3CCS(=O)(=O)CC3)C[C@H]2C1 ZINC001180595628 1074202770 /nfs/dbraw/zinc/20/27/70/1074202770.db2.gz OTIJWTMFTMLQBS-CVEARBPZSA-N 0 3 430.571 -0.226 20 0 IBADHN Cc1ccc(C(C)(C)C(=O)n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c(=O)nc2N)cc1 ZINC001180605082 1074202727 /nfs/dbraw/zinc/20/27/27/1074202727.db2.gz FDBQRUARHFCBFB-HOPMXRPOSA-N 0 3 442.476 -0.320 20 0 IBADHN CN(C)c1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](NC(=O)CN(C)C2CCCC2)[C@H]1O ZINC001180629969 1074203627 /nfs/dbraw/zinc/20/36/27/1074203627.db2.gz HONWKDAGKLIDMB-UNFPFYSMSA-N 0 3 433.513 -0.498 20 0 IBADHN CC(=O)N1[C@@H](C(=O)NC(CO)(CO)CO)CSC12CCN(Cc1ccccc1)CC2 ZINC001180821880 1074205499 /nfs/dbraw/zinc/20/54/99/1074205499.db2.gz IUZBZGPCWGTEBV-GOSISDBHSA-N 0 3 437.562 -0.226 20 0 IBADHN CC(=O)N1[C@H](C(=O)NC(CO)(CO)CO)CSC12CCN(Cc1ccccc1)CC2 ZINC001180821883 1074205450 /nfs/dbraw/zinc/20/54/50/1074205450.db2.gz IUZBZGPCWGTEBV-SFHVURJKSA-N 0 3 437.562 -0.226 20 0 IBADHN Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c2n1C(=O)Cc1cc2ccccc2o1 ZINC001181100178 1074208985 /nfs/dbraw/zinc/20/89/85/1074208985.db2.gz CFQVICQNAQJSOH-OZSDWXKXSA-N 0 3 440.416 -0.618 20 0 IBADHN Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c2n1C(=O)[C@@H]1C[C@@H]1c1ccccc1 ZINC001181458044 1074212726 /nfs/dbraw/zinc/21/27/26/1074212726.db2.gz LEGVTCGEFBIZRE-SOHVBKJPSA-N 0 3 426.433 -0.803 20 0 IBADHN Cc1cc(F)cc(CC(=O)n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c(=O)nc2N)c1 ZINC001181646141 1074215069 /nfs/dbraw/zinc/21/50/69/1074215069.db2.gz UHTFVZGPTUBUSI-VBVJRUAFSA-N 0 3 432.412 -0.916 20 0 IBADHN Cc1c(F)cccc1CC(=O)n1c2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2N)c(=O)nc1N ZINC001181706720 1074215426 /nfs/dbraw/zinc/21/54/26/1074215426.db2.gz YVYADMMKFIEFFX-VBVJRUAFSA-N 0 3 432.412 -0.916 20 0 IBADHN Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c2n1C(=O)[C@@H]1CCc2ccccc21 ZINC001181763955 1074215930 /nfs/dbraw/zinc/21/59/30/1074215930.db2.gz RARLKVBYFYQFAW-XDJZACDYSA-N 0 3 426.433 -0.877 20 0 IBADHN Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c2n1C(=O)[C@H]1CCc2ccccc21 ZINC001181763957 1074215916 /nfs/dbraw/zinc/21/59/16/1074215916.db2.gz RARLKVBYFYQFAW-YCOMJZELSA-N 0 3 426.433 -0.877 20 0 IBADHN CC(C)N1CC[C@@H](C(=O)N2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@H]3C(=O)N2CCOCC2)C1 ZINC001181979521 1074217212 /nfs/dbraw/zinc/21/72/12/1074217212.db2.gz TZHFJFBRRLTUBG-BRSBDYLESA-N 0 3 427.567 -0.163 20 0 IBADHN CC(C)N1CC[C@H](C(=O)N2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@H]3C(=O)N2CCOCC2)C1 ZINC001181979524 1074217236 /nfs/dbraw/zinc/21/72/36/1074217236.db2.gz TZHFJFBRRLTUBG-BSDSXHPESA-N 0 3 427.567 -0.163 20 0 IBADHN CC(C)N1CC[C@H](C(=O)N2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@@H]3C(=O)N2CCOCC2)C1 ZINC001181979526 1074217225 /nfs/dbraw/zinc/21/72/25/1074217225.db2.gz TZHFJFBRRLTUBG-WNRNVDISSA-N 0 3 427.567 -0.163 20 0 IBADHN CC(C)N1CC[C@@H](C(=O)N2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@@H]3C(=O)N2CCOCC2)C1 ZINC001181979529 1074217129 /nfs/dbraw/zinc/21/71/29/1074217129.db2.gz TZHFJFBRRLTUBG-XMTFNYHQSA-N 0 3 427.567 -0.163 20 0 IBADHN CN1CCC(O)(C(=O)N2CCCn3c(=O)cc(CNC(=O)c4ccco4)nc3C2)CC1 ZINC001182030449 1074217652 /nfs/dbraw/zinc/21/76/52/1074217652.db2.gz BXNUIRFICYVEGW-UHFFFAOYSA-N 0 3 429.477 -0.045 20 0 IBADHN CN1CCC(O)(C(=O)N2C[C@H]3C[C@H]4[C@@](CN(Cc5ccncc5)S4(=O)=O)(C2)O3)CC1 ZINC001182030490 1074217781 /nfs/dbraw/zinc/21/77/81/1074217781.db2.gz DLWUHZQGNATFOK-UWVAXJGDSA-N 0 3 436.534 -0.578 20 0 IBADHN CN1CC[C@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)C2(O)CCN(C)CC2)CC3)C1=O ZINC001182032087 1074218136 /nfs/dbraw/zinc/21/81/36/1074218136.db2.gz RTGNBTKWKHUUNQ-IBGZPJMESA-N 0 3 442.582 -0.824 20 0 IBADHN CN1CC[C@@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)C2(O)CCN(C)CC2)CC3)C1=O ZINC001182032111 1074218058 /nfs/dbraw/zinc/21/80/58/1074218058.db2.gz RTGNBTKWKHUUNQ-LJQANCHMSA-N 0 3 442.582 -0.824 20 0 IBADHN CN1CCC(O)(C(=O)Nc2cc(Cl)c(S(N)(=O)=O)cc2S(N)(=O)=O)CC1 ZINC001182032399 1074218087 /nfs/dbraw/zinc/21/80/87/1074218087.db2.gz DGSKDWWMJNQUJI-UHFFFAOYSA-N 0 3 426.904 -0.970 20 0 IBADHN CN1CCC(O)(C(=O)NCCS(=O)(=O)N2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001182034718 1074218098 /nfs/dbraw/zinc/21/80/98/1074218098.db2.gz XWTAAFYQPUQJOI-UHFFFAOYSA-N 0 3 434.559 -0.558 20 0 IBADHN CCOC(=O)[C@H](NC(=O)C1(O)CCN(C)CC1)[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC001182035752 1074218199 /nfs/dbraw/zinc/21/81/99/1074218199.db2.gz CYFFACYRBGMCRJ-CVEARBPZSA-N 0 3 428.507 -0.372 20 0 IBADHN Cc1cc(=O)oc2cc(NC(=O)CNC(=O)CNC(=O)C3(O)CCN(C)CC3)ccc12 ZINC001182036428 1074218071 /nfs/dbraw/zinc/21/80/71/1074218071.db2.gz BLLIJLCFTFMQMA-UHFFFAOYSA-N 0 3 430.461 -0.271 20 0 IBADHN Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c2n1C(=O)[C@@H]1C[C@@H]1c1ccccc1F ZINC001182289012 1074222886 /nfs/dbraw/zinc/22/28/86/1074222886.db2.gz VTKVLXLPXXLRGT-BVWQBAABSA-N 0 3 444.423 -0.664 20 0 IBADHN Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c2n1C(=O)[C@H]1C[C@H]1c1ccccc1F ZINC001182289013 1074222931 /nfs/dbraw/zinc/22/29/31/1074222931.db2.gz VTKVLXLPXXLRGT-GNIDYKHJSA-N 0 3 444.423 -0.664 20 0 IBADHN Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c2n1C(=O)[C@@H]1C[C@H]1c1ccccc1F ZINC001182289014 1074223016 /nfs/dbraw/zinc/22/30/16/1074223016.db2.gz VTKVLXLPXXLRGT-OJMZKDFESA-N 0 3 444.423 -0.664 20 0 IBADHN Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c2n1C(=O)[C@H]1C[C@@H]1c1ccccc1F ZINC001182289015 1074223122 /nfs/dbraw/zinc/22/31/22/1074223122.db2.gz VTKVLXLPXXLRGT-ZCWPQJEQSA-N 0 3 444.423 -0.664 20 0 IBADHN Cc1ccccc1C(C)(C)C(=O)n1c2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2N)c(=O)nc1N ZINC001182468011 1074228941 /nfs/dbraw/zinc/22/89/41/1074228941.db2.gz HZXBBVDMPIPXML-HOPMXRPOSA-N 0 3 442.476 -0.320 20 0 IBADHN Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c2n1C(=O)Cc1occ2ccccc21 ZINC001182503640 1074231391 /nfs/dbraw/zinc/23/13/91/1074231391.db2.gz PZJAHMOHSQLPHW-OZSDWXKXSA-N 0 3 440.416 -0.618 20 0 IBADHN CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCCN1CC1CC1)C(=O)NCC(N)=O ZINC001182555586 1074231696 /nfs/dbraw/zinc/23/16/96/1074231696.db2.gz AQFLEHMMHAQJNW-BZSNNMDCSA-N 0 3 435.569 -0.016 20 0 IBADHN CN(C)c1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](NC(=O)[C@@H]2CCCN2CC2CC2)[C@H]1O ZINC001182559119 1074231846 /nfs/dbraw/zinc/23/18/46/1074231846.db2.gz ATIQTWXONMHADM-YXDKPKCJSA-N 0 3 445.524 -0.498 20 0 IBADHN CC(C)(Cc1ccccc1)C(=O)n1c2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2N)c(=O)nc1N ZINC001182605887 1074233160 /nfs/dbraw/zinc/23/31/60/1074233160.db2.gz VOYHTSQRARPONA-HOPMXRPOSA-N 0 3 442.476 -0.338 20 0 IBADHN Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c2n1C(=O)CCOCc1ccccc1 ZINC001183092550 1074240327 /nfs/dbraw/zinc/24/03/27/1074240327.db2.gz IDNWQDNFJDKQIC-OZSDWXKXSA-N 0 3 444.448 -1.000 20 0 IBADHN CCN1CCN(C(=O)N[C@@H](C(=O)N2CCOC[C@H]2CN(C)C)c2ccccc2)C(=O)C1=O ZINC001183152789 1074241661 /nfs/dbraw/zinc/24/16/61/1074241661.db2.gz ZUWLAEWMUWMLTP-QZTJIDSGSA-N 0 3 445.520 -0.083 20 0 IBADHN CCN1CCN(C(=O)N[C@@H](C(=O)N2CCOC[C@@H]2CN(C)C)c2ccccc2)C(=O)C1=O ZINC001183152791 1074241694 /nfs/dbraw/zinc/24/16/94/1074241694.db2.gz ZUWLAEWMUWMLTP-ZWKOTPCHSA-N 0 3 445.520 -0.083 20 0 IBADHN CCN1CCN(C(=O)N[C@@H](C(=O)NC2(CO)CCN(C)CC2)c2ccccc2)C(=O)C1=O ZINC001183157488 1074243237 /nfs/dbraw/zinc/24/32/37/1074243237.db2.gz DDNJXIAAIXZTMM-QGZVFWFLSA-N 0 3 445.520 -0.299 20 0 IBADHN CC(C)(C)OC(=O)N1CC[C@H](N2CCC(C(=O)N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)CC2)C1 ZINC001183158322 1074243283 /nfs/dbraw/zinc/24/32/83/1074243283.db2.gz PMWUARNVNDYAGP-ILOCAZANSA-N 0 3 427.542 -0.073 20 0 IBADHN CC(C)(C)OC(=O)N1CC[C@@H](N2CCC(C(=O)N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)CC2)C1 ZINC001183158331 1074243209 /nfs/dbraw/zinc/24/32/09/1074243209.db2.gz PMWUARNVNDYAGP-ZKXLYKBJSA-N 0 3 427.542 -0.073 20 0 IBADHN Cc1cccc(CC(=O)n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c(=O)nc2N)c1C ZINC001183259496 1074244032 /nfs/dbraw/zinc/24/40/32/1074244032.db2.gz DBYVSTGQGRPITE-OZSDWXKXSA-N 0 3 428.449 -0.747 20 0 IBADHN CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](C(C)C)N(C)C)C(N)=O ZINC001183366482 1074245049 /nfs/dbraw/zinc/24/50/49/1074245049.db2.gz QVAZZGMZDPFLTA-YQQAZPJKSA-N 0 3 445.630 -0.057 20 0 IBADHN CN(C)[C@H]1C[C@@H](C(=O)N2C[C@@H]3c4nc(N5CCOCC5)ncc4CS(=O)(=O)[C@@H]3C2)C1 ZINC001183373301 1074244869 /nfs/dbraw/zinc/24/48/69/1074244869.db2.gz QMTLAUPZLQXUDR-PQEBFOHHSA-N 0 3 435.550 -0.124 20 0 IBADHN CN(C)c1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](NC(=O)C23CCCN2CCC3)[C@H]1O ZINC001183559550 1074247173 /nfs/dbraw/zinc/24/71/73/1074247173.db2.gz DLWHQUROOAOTOH-HOPMXRPOSA-N 0 3 431.497 -0.744 20 0 IBADHN CC(C)[C@H](C(=O)n1c2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2N)c(=O)nc1N)c1ccccc1 ZINC001183577704 1074247626 /nfs/dbraw/zinc/24/76/26/1074247626.db2.gz GZGMQIHIEQSMDL-VXDUPQHDSA-N 0 3 442.476 -0.167 20 0 IBADHN CN(C)CCN1CCN(C)C2(CCN(C(=O)C3(C)CCS(=O)(=O)CC3)CC2)C1=O ZINC001183631562 1074248085 /nfs/dbraw/zinc/24/80/85/1074248085.db2.gz WUDZTKLQGXGUII-UHFFFAOYSA-N 0 3 428.599 -0.102 20 0 IBADHN Cn1nnc2c1CCN(C(=O)Cn1cc(F)c(=O)[n-]c1=O)[C@H]2COCC[NH+]1CCCC1 ZINC001183657292 1074249399 /nfs/dbraw/zinc/24/93/99/1074249399.db2.gz PKKHPFZFANPCNJ-HNNXBMFYSA-N 0 3 435.460 -0.545 20 0 IBADHN Cn1nnc2c1CCN(C(=O)Cn1cc(F)c(=O)[n-]c1=O)[C@@H]2COCC[NH+]1CCCC1 ZINC001183657302 1074249326 /nfs/dbraw/zinc/24/93/26/1074249326.db2.gz PKKHPFZFANPCNJ-OAHLLOKOSA-N 0 3 435.460 -0.545 20 0 IBADHN O=C(Cn1cc(F)c(=O)[n-]c1=O)N1c2ccccc2CN(C2CC[NH2+]CC2)S1(=O)=O ZINC001183660123 1074249382 /nfs/dbraw/zinc/24/93/82/1074249382.db2.gz QQLDDEXFHANHCD-UHFFFAOYSA-N 0 3 437.453 -0.066 20 0 IBADHN COC[C@H]1CC2(CN1Cc1ccccn1)CCN(C(=O)C[C@@H]1NC(=O)CNC1=O)CC2 ZINC001183716641 1074250293 /nfs/dbraw/zinc/25/02/93/1074250293.db2.gz CCAQQDVKLYEWNF-MSOLQXFVSA-N 0 3 429.521 -0.084 20 0 IBADHN COC[C@@H]1CC2(CN1Cc1ccccn1)CCN(C(=O)C[C@@H]1NC(=O)CNC1=O)CC2 ZINC001183716643 1074250611 /nfs/dbraw/zinc/25/06/11/1074250611.db2.gz CCAQQDVKLYEWNF-ROUUACIJSA-N 0 3 429.521 -0.084 20 0 IBADHN COc1ccc(NC(=O)C[C@@H]2NC(=O)CNC2=O)cc1OCCCN1CCN(C)CC1 ZINC001183727188 1074251449 /nfs/dbraw/zinc/25/14/49/1074251449.db2.gz PKZNBKIGYKYSAC-INIZCTEOSA-N 0 3 433.509 -0.345 20 0 IBADHN CN(C)CCN(C(=O)C[C@@H]1NC(=O)CNC1=O)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001183727889 1074251518 /nfs/dbraw/zinc/25/15/18/1074251518.db2.gz CIAWSJBBBWVGDT-CABCVRRESA-N 0 3 425.530 -0.219 20 0 IBADHN CN(C)CCN(C(=O)C[C@@H]1NC(=O)CNC1=O)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001183727890 1074251565 /nfs/dbraw/zinc/25/15/65/1074251565.db2.gz CIAWSJBBBWVGDT-GJZGRUSLSA-N 0 3 425.530 -0.219 20 0 IBADHN NC[C@H](NC(=O)C[C@@H]1NC(=O)CNC1=O)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC001183729244 1074251978 /nfs/dbraw/zinc/25/19/78/1074251978.db2.gz KZALUPZEGNJTCC-OALUTQOASA-N 0 3 436.468 -0.210 20 0 IBADHN NC[C@@H](NC(=O)C[C@@H]1NC(=O)CNC1=O)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC001183729245 1074251862 /nfs/dbraw/zinc/25/18/62/1074251862.db2.gz KZALUPZEGNJTCC-RBUKOAKNSA-N 0 3 436.468 -0.210 20 0 IBADHN CN(C)CCN1CCN(C(=O)CCC(=O)Nc2ccc3c(n2)n(C)c(=O)n3C)CC1=O ZINC001183923443 1074253967 /nfs/dbraw/zinc/25/39/67/1074253967.db2.gz BUEVYRVGNKEOHX-UHFFFAOYSA-N 0 3 431.497 -0.777 20 0 IBADHN C[C@@H]1NC(=O)[C@H](CCC(=O)N(Cc2ncn3c2CNCCC3)c2ncccn2)NC1=O ZINC001184073987 1074255426 /nfs/dbraw/zinc/25/54/26/1074255426.db2.gz GNUILJKVHANDFB-KBPBESRZSA-N 0 3 426.481 -0.517 20 0 IBADHN C[C@@H]1NC(=O)[C@H](CCC(=O)NC[C@H]2C[C@H]3CN(C(=O)OC(C)(C)C)CCN3C2)NC1=O ZINC001184094061 1074257134 /nfs/dbraw/zinc/25/71/34/1074257134.db2.gz RISHHBNPLNOFTO-FZKCQIBNSA-N 0 3 437.541 -0.173 20 0 IBADHN C[C@H](C(=O)n1c2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2N)c(=O)nc1N)c1ccccc1Cl ZINC001184475556 1074261053 /nfs/dbraw/zinc/26/10/53/1074261053.db2.gz CDADWQVHNZFWBN-GJHYOHPCSA-N 0 3 448.867 -0.150 20 0 IBADHN C[C@@H](C(=O)n1c2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2N)c(=O)nc1N)c1ccccc1Cl ZINC001184475558 1074261617 /nfs/dbraw/zinc/26/16/17/1074261617.db2.gz CDADWQVHNZFWBN-XEOWUOGWSA-N 0 3 448.867 -0.150 20 0 IBADHN CC(C)(C)c1ccnc(C(=O)n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c(=O)nc2N)c1 ZINC001184565458 1074261969 /nfs/dbraw/zinc/26/19/69/1074261969.db2.gz AUXFPEJSEVYEAT-LZDVPDMXSA-N 0 3 443.464 -0.866 20 0 IBADHN CN(C)CCN1CCN(C)C2(CCN(S(=O)(=O)c3cnc(Cl)nc3)CC2)C1=O ZINC001185021065 1074264143 /nfs/dbraw/zinc/26/41/43/1074264143.db2.gz PVXRZHGVBFNPRH-UHFFFAOYSA-N 0 3 430.962 -0.011 20 0 IBADHN Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c2n1C(=O)c1ncccc1C1CCC1 ZINC001185285890 1074266765 /nfs/dbraw/zinc/26/67/65/1074266765.db2.gz UKWVAGOQIUHTGL-KHQJXUJBSA-N 0 3 441.448 -0.896 20 0 IBADHN Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c2n1C(=O)c1cc(C2CCC2)ccn1 ZINC001185313339 1074267318 /nfs/dbraw/zinc/26/73/18/1074267318.db2.gz DTGRRCQPHHKHLF-DZDCQFRTSA-N 0 3 441.448 -0.896 20 0 IBADHN Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c2n1C(=O)C12CCC(F)(CC1)CC2 ZINC001185537543 1074269866 /nfs/dbraw/zinc/26/98/66/1074269866.db2.gz YQLWTHYNYMNNSM-FQZNAUMVSA-N 0 3 436.444 -0.544 20 0 IBADHN C[NH+](C)CCNC(=O)c1noc2c1CN(S(=O)(=O)c1ccc(-c3nn[n-]n3)cc1)CC2 ZINC001185576856 1074269721 /nfs/dbraw/zinc/26/97/21/1074269721.db2.gz RXCHYJKACRSNES-UHFFFAOYSA-N 0 3 446.493 -0.107 20 0 IBADHN CCOC(=O)N[C@@H](CC(N)=O)C(=O)N(Cc1ncn2c1CNCCC2)c1ncccn1 ZINC001185868280 1074280310 /nfs/dbraw/zinc/28/03/10/1074280310.db2.gz ZTMFEZJRNLPRPX-ZDUSSCGKSA-N 0 3 430.469 -0.310 20 0 IBADHN CC1(C)CCC(CC(=O)n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c(=O)nc2N)CC1 ZINC001185980684 1074281757 /nfs/dbraw/zinc/28/17/57/1074281757.db2.gz MQDSIPZUAZXWKP-VBVJRUAFSA-N 0 3 434.497 0.000 20 0 IBADHN C[C@H](CCc1ccccc1)C(=O)n1c2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2N)c(=O)nc1N ZINC001186023437 1074281805 /nfs/dbraw/zinc/28/18/05/1074281805.db2.gz DHELLMYYYNTZJI-BRWRLMCWSA-N 0 3 442.476 -0.338 20 0 IBADHN C[C@@H](CCc1ccccc1)C(=O)n1c2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2N)c(=O)nc1N ZINC001186023443 1074282027 /nfs/dbraw/zinc/28/20/27/1074282027.db2.gz DHELLMYYYNTZJI-VLFOQJPWSA-N 0 3 442.476 -0.338 20 0 IBADHN O=C(CN1CCCC1)N1CCN(S(=O)(=O)CCCS(=O)(=O)C(F)(F)F)CC1 ZINC001186556953 1074287575 /nfs/dbraw/zinc/28/75/75/1074287575.db2.gz JDXGMBACWJYYKS-UHFFFAOYSA-N 0 3 435.490 -0.119 20 0 IBADHN COCCN(C(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(C)=O)C1CCN(C)CC1 ZINC001186631998 1074297483 /nfs/dbraw/zinc/29/74/83/1074297483.db2.gz ZVBRATOBNUSQAE-KKUMJFAQSA-N 0 3 427.546 -0.910 20 0 IBADHN C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CCC(=O)N1CCN2CCC1CC2)C(N)=O ZINC001186646220 1074301049 /nfs/dbraw/zinc/30/10/49/1074301049.db2.gz MHTIEIQRMTXWEA-DZGCQCFKSA-N 0 3 425.530 -0.044 20 0 IBADHN C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CCC(=O)N1CCOC[C@H]1CN(C)C)C(N)=O ZINC001186646406 1074301020 /nfs/dbraw/zinc/30/10/20/1074301020.db2.gz PCBCWKSRVRQZGY-RRFJBIMHSA-N 0 3 443.545 -0.561 20 0 IBADHN C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CCC(=O)N1CCOC[C@@H]1CN(C)C)C(N)=O ZINC001186646407 1074300994 /nfs/dbraw/zinc/30/09/94/1074300994.db2.gz PCBCWKSRVRQZGY-SOUVJXGZSA-N 0 3 443.545 -0.561 20 0 IBADHN C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CCC(=O)NC1(CO)CCN(C)CC1)C(N)=O ZINC001186650328 1074301820 /nfs/dbraw/zinc/30/18/20/1074301820.db2.gz BBSNPTXHHJZVGJ-UONOGXRCSA-N 0 3 443.545 -0.777 20 0 IBADHN CC(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@@H]2CCCN(C)[C@@H]2C1 ZINC001186666323 1074294322 /nfs/dbraw/zinc/29/43/22/1074294322.db2.gz BIQVEYPQCDXODA-CADBVGFASA-N 0 3 433.553 -0.343 20 0 IBADHN CC(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H]2[C@H](C1)CCCN2C ZINC001186666324 1074294340 /nfs/dbraw/zinc/29/43/40/1074294340.db2.gz BIQVEYPQCDXODA-VJANTYMQSA-N 0 3 433.553 -0.343 20 0 IBADHN CC(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H]2CCCN(C)[C@H]2C1 ZINC001186666325 1074294237 /nfs/dbraw/zinc/29/42/37/1074294237.db2.gz BIQVEYPQCDXODA-XWSJACJDSA-N 0 3 433.553 -0.343 20 0 IBADHN CC(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H]2CCCN(C)[C@@H]2C1 ZINC001186666327 1074294375 /nfs/dbraw/zinc/29/43/75/1074294375.db2.gz BIQVEYPQCDXODA-YDZRNGNQSA-N 0 3 433.553 -0.343 20 0 IBADHN CN(C)S(=O)(=O)CCS(=O)(=O)N1CCN(CCN(C)Cc2ccccc2)CC1 ZINC001186671991 1074297030 /nfs/dbraw/zinc/29/70/30/1074297030.db2.gz FUJFOIQJKVLBSQ-UHFFFAOYSA-N 0 3 432.612 -0.043 20 0 IBADHN CN1CCN(CCCS(=O)(=O)N2CCC(CC(=O)N3CCN(C)CC3)CC2)CC1 ZINC001186688072 1074305181 /nfs/dbraw/zinc/30/51/81/1074305181.db2.gz JLDRXOJNNVSZNA-UHFFFAOYSA-N 0 3 429.631 -0.170 20 0 IBADHN NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)Cc1n[nH]c2ccc(O)cc12 ZINC001187255493 1074309558 /nfs/dbraw/zinc/30/95/58/1074309558.db2.gz SXXSKAGPQCVOEZ-IRXDYDNUSA-N 0 3 425.449 -0.262 20 0 IBADHN COc1ccccc1[C@H](C)C(=O)n1c2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2N)c(=O)nc1N ZINC001187687040 1074313885 /nfs/dbraw/zinc/31/38/85/1074313885.db2.gz MAIHSAWBKVRWHT-YYWICHOXSA-N 0 3 444.448 -0.794 20 0 IBADHN COc1ccc(C(=O)n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c(=O)nc2N)c(C)c1C ZINC001188086605 1074316808 /nfs/dbraw/zinc/31/68/08/1074316808.db2.gz WLQKLPNKMCTIOB-DZDCQFRTSA-N 0 3 444.448 -0.933 20 0 IBADHN CC(C)(C)c1ccc(C(=O)n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c(=O)nc2N)s1 ZINC001188258591 1074317362 /nfs/dbraw/zinc/31/73/62/1074317362.db2.gz WWSZFCGIIYDPKF-ADFJHRIASA-N 0 3 448.505 -0.199 20 0 IBADHN CCOC(=O)CNC(=O)[C@H]1COCCN1S(=O)(=O)C(CC(=O)OCC)C(F)(F)F ZINC001188718372 1074320283 /nfs/dbraw/zinc/32/02/83/1074320283.db2.gz QZIJVCYPKFXPHE-GHMZBOCLSA-N 0 3 448.416 -0.420 20 0 IBADHN CCOC(=O)CNC(=O)[C@H]1COCCN1S(=O)(=O)C(CC(=O)OCC)C(F)(F)F ZINC001188718373 1074320301 /nfs/dbraw/zinc/32/03/01/1074320301.db2.gz QZIJVCYPKFXPHE-MNOVXSKESA-N 0 3 448.416 -0.420 20 0 IBADHN CCOC(=O)CNC(=O)[C@@H]1COCCN1S(=O)(=O)C(CC(=O)OCC)C(F)(F)F ZINC001188718374 1074320212 /nfs/dbraw/zinc/32/02/12/1074320212.db2.gz QZIJVCYPKFXPHE-QWRGUYRKSA-N 0 3 448.416 -0.420 20 0 IBADHN CCOC(=O)CNC(=O)[C@@H]1COCCN1S(=O)(=O)C(CC(=O)OCC)C(F)(F)F ZINC001188718375 1074320320 /nfs/dbraw/zinc/32/03/20/1074320320.db2.gz QZIJVCYPKFXPHE-WDEREUQCSA-N 0 3 448.416 -0.420 20 0 IBADHN CC(C)(C)c1cccc(C(=O)n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c(=O)nc2N)c1 ZINC001188983428 1074322140 /nfs/dbraw/zinc/32/21/40/1074322140.db2.gz FRQGVXMITUGRJC-DZDCQFRTSA-N 0 3 442.476 -0.261 20 0 IBADHN Cc1cc(F)cc(C)c1C(=O)n1c2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2N)c(=O)nc1N ZINC001189297287 1074323256 /nfs/dbraw/zinc/32/32/56/1074323256.db2.gz ARYLMMAXUOBYOE-JZUNMBGUSA-N 0 3 432.412 -0.802 20 0 IBADHN CCCc1ccc(C(=O)n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c(=O)nc2N)s1 ZINC001189516061 1074325142 /nfs/dbraw/zinc/32/51/42/1074325142.db2.gz JCFNXWMOQIIPPN-UBWLSIKFSA-N 0 3 434.478 -0.544 20 0 IBADHN CN(C)CCN1CCN(C)C2(CCN(C(=O)c3cc(CN4CCOCC4)on3)CC2)C1=O ZINC001190202846 1074329628 /nfs/dbraw/zinc/32/96/28/1074329628.db2.gz JKVGCLGTUJHSOH-UHFFFAOYSA-N 0 3 448.568 -0.183 20 0 IBADHN CC(C)c1ccccc1C(=O)n1c2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2N)c(=O)nc1N ZINC001190273463 1074330091 /nfs/dbraw/zinc/33/00/91/1074330091.db2.gz XSJAWTCRHIHHFA-DZDCQFRTSA-N 0 3 428.449 -0.435 20 0 IBADHN CN(C)CCN1CCN(C)C2(CCN(C(=O)c3cncc(N4CCOCC4)n3)CC2)C1=O ZINC001190764632 1074332702 /nfs/dbraw/zinc/33/27/02/1074332702.db2.gz MYQCVTPZKXOYNA-UHFFFAOYSA-N 0 3 445.568 -0.376 20 0 IBADHN CCN1CCN(Cc2ccc(C(=O)NCCO[C@@H]3O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]3O)cc2)CC1 ZINC001190871417 1074333602 /nfs/dbraw/zinc/33/36/02/1074333602.db2.gz ZMODINBYFOZTCN-RMJIQZSRSA-N 0 3 437.537 -0.602 20 0 IBADHN CCCOc1ccccc1C(=O)n1c2c(ncn2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2N)c(=O)nc1N ZINC001191004023 1074334125 /nfs/dbraw/zinc/33/41/25/1074334125.db2.gz PUAMXNSWFFFAFA-DZDCQFRTSA-N 0 3 444.448 -0.770 20 0 IBADHN COc1c(C)cc(C(=O)n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c(=O)nc2N)cc1C ZINC001191079848 1074334722 /nfs/dbraw/zinc/33/47/22/1074334722.db2.gz UIRPNDLHBSTKDA-VQTVZGMASA-N 0 3 444.448 -0.933 20 0 IBADHN CCCc1cc(C(=O)n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c(=O)nc2N)ccc1F ZINC001191993617 1074339716 /nfs/dbraw/zinc/33/97/16/1074339716.db2.gz ODPVYBROVQPPHZ-DZDCQFRTSA-N 0 3 446.439 -0.467 20 0 IBADHN COC(=O)c1c(OC)ccc(S(=O)(=O)N2CCN(CCN(C)C)C(=O)C2)c1OC ZINC001192066345 1074340318 /nfs/dbraw/zinc/34/03/18/1074340318.db2.gz HSRLWFRPINBFLQ-UHFFFAOYSA-N 0 3 429.495 -0.115 20 0 IBADHN CCOC(=O)[C@@H]1Cc2cc(S(=O)(=O)N3CCN(CCN(C)C)C(=O)C3)ccc2O1 ZINC001192066865 1074340717 /nfs/dbraw/zinc/34/07/17/1074340717.db2.gz ZPISFJYDSWWGIB-KRWDZBQOSA-N 0 3 425.507 -0.052 20 0 IBADHN CCOC(=O)[C@H]1Cc2cc(S(=O)(=O)N3CCN(CCN(C)C)C(=O)C3)ccc2O1 ZINC001192066866 1074340602 /nfs/dbraw/zinc/34/06/02/1074340602.db2.gz ZPISFJYDSWWGIB-QGZVFWFLSA-N 0 3 425.507 -0.052 20 0 IBADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCN(S(=O)(=O)N(C)C)CC1 ZINC001192220538 1074341140 /nfs/dbraw/zinc/34/11/40/1074341140.db2.gz HTCMQJXCMRHALI-JTQLQIEISA-N 0 3 425.451 -0.376 20 0 IBADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCN(S(=O)(=O)N(C)C)CC1 ZINC001192220539 1074341080 /nfs/dbraw/zinc/34/10/80/1074341080.db2.gz HTCMQJXCMRHALI-SNVBAGLBSA-N 0 3 425.451 -0.376 20 0 IBADHN CC(C)Cc1ccc(C(=O)n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c(=O)nc2N)cc1 ZINC001192474547 1074341769 /nfs/dbraw/zinc/34/17/69/1074341769.db2.gz RECWLMFDYZIOPM-NOAAKOMESA-N 0 3 442.476 -0.360 20 0 IBADHN CSc1ccc(C(=O)n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c(=O)nc2N)s1 ZINC001192650449 1074342281 /nfs/dbraw/zinc/34/22/81/1074342281.db2.gz VQUPHIRJWQZKBY-QBEFPISCSA-N 0 3 438.491 -0.775 20 0 IBADHN CCOC(=O)C(C)(C)S(=O)(=O)N1CCC2(CC1)C(=O)N(CCN(C)C)CCN2C ZINC001193033923 1074344818 /nfs/dbraw/zinc/34/48/18/1074344818.db2.gz GUVHAJOXJCDLKI-UHFFFAOYSA-N 0 3 432.587 -0.172 20 0 IBADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCOC[C@H]1CNS(C)(=O)=O ZINC001193222259 1074346343 /nfs/dbraw/zinc/34/63/43/1074346343.db2.gz ZJOYLPQCTWRUKP-NXEZZACHSA-N 0 3 426.435 -0.550 20 0 IBADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCOC[C@@H]1CNS(C)(=O)=O ZINC001193222260 1074346283 /nfs/dbraw/zinc/34/62/83/1074346283.db2.gz ZJOYLPQCTWRUKP-UWVGGRQHSA-N 0 3 426.435 -0.550 20 0 IBADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCOC[C@@H]1CNS(C)(=O)=O ZINC001193222261 1074346368 /nfs/dbraw/zinc/34/63/68/1074346368.db2.gz ZJOYLPQCTWRUKP-VHSXEESVSA-N 0 3 426.435 -0.550 20 0 IBADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCOC[C@H]1CNS(C)(=O)=O ZINC001193222262 1074346197 /nfs/dbraw/zinc/34/61/97/1074346197.db2.gz ZJOYLPQCTWRUKP-ZJUUUORDSA-N 0 3 426.435 -0.550 20 0 IBADHN CC(C)c1csc(C(=O)n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c(=O)nc2N)n1 ZINC001193518579 1074349828 /nfs/dbraw/zinc/34/98/28/1074349828.db2.gz ZDOOBMRQFYIIJH-GZWQJFPBSA-N 0 3 435.466 -0.979 20 0 IBADHN CN(C)CCN1CCN(C)C2(CCN(C(=O)c3cncc(S(C)(=O)=O)c3)CC2)C1=O ZINC001194128204 1074354127 /nfs/dbraw/zinc/35/41/27/1074354127.db2.gz GPWWWEDTWVOKHP-UHFFFAOYSA-N 0 3 437.566 -0.205 20 0 IBADHN Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c2n1C(=O)c1ccc(C2CC2)cc1 ZINC001194168349 1074354734 /nfs/dbraw/zinc/35/47/34/1074354734.db2.gz JWZWLYBEKZYRTA-DZDCQFRTSA-N 0 3 426.433 -0.681 20 0 IBADHN CN(C)CCN1CCN(C)C2(CCN(C(=O)c3ccnc(S(C)(=O)=O)c3)CC2)C1=O ZINC001194683816 1074359324 /nfs/dbraw/zinc/35/93/24/1074359324.db2.gz MPNICCXWVLMNAR-UHFFFAOYSA-N 0 3 437.566 -0.205 20 0 IBADHN COc1ncccc1S(=O)(=O)N1CCC2(CC1)C(=O)N(CCN(C)C)CCN2C ZINC001194688871 1074359810 /nfs/dbraw/zinc/35/98/10/1074359810.db2.gz SWRJWSJBSJFEGS-UHFFFAOYSA-N 0 3 425.555 -0.051 20 0 IBADHN CN(C)CCN1CCN(C)C2(CCN(C(=O)c3cn(-c4cnccn4)cn3)CC2)C1=O ZINC001194719896 1074360136 /nfs/dbraw/zinc/36/01/36/1074360136.db2.gz KZMMFUSOWHFGLV-UHFFFAOYSA-N 0 3 426.525 -0.027 20 0 IBADHN O=S(=O)(c1ccc(S(=O)(=O)N2CCOCC2)cc1)N1CC(NC2CCOCC2)C1 ZINC001194744245 1074359728 /nfs/dbraw/zinc/35/97/28/1074359728.db2.gz MXZYNWYQDGNNQE-UHFFFAOYSA-N 0 3 445.563 -0.151 20 0 IBADHN CN(CCCNC(=O)CNC1(CO)CCN(C(=O)OC(C)(C)C)CC1)S(C)(=O)=O ZINC001195241978 1074364680 /nfs/dbraw/zinc/36/46/80/1074364680.db2.gz RJHDVSAOGCJJHK-UHFFFAOYSA-N 0 3 436.575 -0.264 20 0 IBADHN CNC(=O)[C@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3cccc(C(C)=O)c3)CC2)C1 ZINC001195307825 1074365822 /nfs/dbraw/zinc/36/58/22/1074365822.db2.gz YNNLNXHOCQHKJP-KRWDZBQOSA-N 0 3 436.534 -0.210 20 0 IBADHN CNC(=O)[C@@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3cccc(C(C)=O)c3)CC2)C1 ZINC001195307826 1074365760 /nfs/dbraw/zinc/36/57/60/1074365760.db2.gz YNNLNXHOCQHKJP-QGZVFWFLSA-N 0 3 436.534 -0.210 20 0 IBADHN O=C(CN1CCN2C[C@H](O)C[C@H]2C1)NCCN1C(=O)S/C(=C\c2cccnc2)C1=O ZINC001195639367 1074370742 /nfs/dbraw/zinc/37/07/42/1074370742.db2.gz SXQKILOMMYCDMZ-KLIFSPJCSA-N 0 3 431.518 -0.015 20 0 IBADHN O=C(CN1CCN2C[C@H](O)C[C@H]2C1)NCCN1C(=O)S/C(=C/c2cccnc2)C1=O ZINC001195639377 1074371027 /nfs/dbraw/zinc/37/10/27/1074371027.db2.gz SXQKILOMMYCDMZ-UTNPKFENSA-N 0 3 431.518 -0.015 20 0 IBADHN O=C(CN1CCN2C[C@H](O)C[C@H]2C1)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC001195640014 1074370923 /nfs/dbraw/zinc/37/09/23/1074370923.db2.gz YYWZNSGTYMIJLR-JKSUJKDBSA-N 0 3 426.514 -0.591 20 0 IBADHN COc1ccc(S(=O)(=O)N2CCC3(CC2)C(=O)N(CCN(C)C)CCN3C)cn1 ZINC001195699627 1074371380 /nfs/dbraw/zinc/37/13/80/1074371380.db2.gz CIQLPRGMSDAWDT-UHFFFAOYSA-N 0 3 425.555 -0.051 20 0 IBADHN C[C@@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)N1CCN(CCN(C)C)C(=O)C1 ZINC001195756274 1074371876 /nfs/dbraw/zinc/37/18/76/1074371876.db2.gz FQKARXRLUHVLRL-HNNXBMFYSA-N 0 3 425.555 -0.030 20 0 IBADHN C[C@H](C(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)N1CCN(CCN(C)C)C(=O)C1 ZINC001195756277 1074371886 /nfs/dbraw/zinc/37/18/86/1074371886.db2.gz FQKARXRLUHVLRL-OAHLLOKOSA-N 0 3 425.555 -0.030 20 0 IBADHN CN(C)CCN1CCN(C)C2(CCN(C(=O)c3cccc(S(C)(=O)=O)n3)CC2)C1=O ZINC001196409124 1074378468 /nfs/dbraw/zinc/37/84/68/1074378468.db2.gz GJKMTUQYSPXYOM-UHFFFAOYSA-N 0 3 437.566 -0.205 20 0 IBADHN CN(C)CCN1CCN(C)C2(CCN(C(=O)c3ccc(S(C)(=O)=O)cn3)CC2)C1=O ZINC001196707163 1074380167 /nfs/dbraw/zinc/38/01/67/1074380167.db2.gz BCEIGBIYUQCODV-UHFFFAOYSA-N 0 3 437.566 -0.205 20 0 IBADHN COC(=O)CCCCS(=O)(=O)N1CCC2(CC1)C(=O)N(CCN(C)C)CCN2C ZINC001196934049 1074381887 /nfs/dbraw/zinc/38/18/87/1074381887.db2.gz SMGCNEXWCQQZFP-UHFFFAOYSA-N 0 3 432.587 -0.170 20 0 IBADHN Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)N3C[C@@H]4C(=O)N(C)C(=O)[C@@H]4C3)CC2)cc1 ZINC001197021210 1074382527 /nfs/dbraw/zinc/38/25/27/1074382527.db2.gz RCOOQOHJAOBPRC-NXHRZFHOSA-N 0 3 448.545 -0.237 20 0 IBADHN Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)N3C[C@@H]4C(=O)N(C)C(=O)[C@@H]4C3)CC2)cc1 ZINC001197021213 1074382465 /nfs/dbraw/zinc/38/24/65/1074382465.db2.gz RCOOQOHJAOBPRC-RYQLBKOJSA-N 0 3 448.545 -0.237 20 0 IBADHN CCOc1ccc(C)c(C(=O)n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c(=O)nc2N)c1 ZINC001197143919 1074382383 /nfs/dbraw/zinc/38/23/83/1074382383.db2.gz COBFHSGHHAWWKJ-DZDCQFRTSA-N 0 3 444.448 -0.851 20 0 IBADHN N=c1nc2c(ncn2COCCO)c(N)n1C(=O)c1ccc(CN2CC[C@@H](O)C2)cc1 ZINC001197593135 1074386775 /nfs/dbraw/zinc/38/67/75/1074386775.db2.gz BTAAAGBKYVJJCB-OAHLLOKOSA-N 0 3 427.465 -0.484 20 0 IBADHN Cc1cn([C@H]2C[C@H](NC(=O)c3ccc(CN4CC[C@@H](O)C4)cc3)[C@@H](CO)O2)c(=O)[nH]c1=O ZINC001197628137 1074386530 /nfs/dbraw/zinc/38/65/30/1074386530.db2.gz MDXLXQMUEJUZAO-FCGDIQPGSA-N 0 3 444.488 -0.098 20 0 IBADHN CN(C)CCN1CCN(C)C2(CCN(C(=O)c3cnn(-c4ncccn4)c3)CC2)C1=O ZINC001197829496 1074388660 /nfs/dbraw/zinc/38/86/60/1074388660.db2.gz JDWCXKNHLGNVKN-UHFFFAOYSA-N 0 3 426.525 -0.027 20 0 IBADHN Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c2n1C(=O)c1cccc(C2CCC2)n1 ZINC001197875075 1074388624 /nfs/dbraw/zinc/38/86/24/1074388624.db2.gz KZPUHXWJGDGLTO-DZDCQFRTSA-N 0 3 441.448 -0.896 20 0 IBADHN CN1CCN(C)CCN(CC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)CC1 ZINC001198111283 1074390761 /nfs/dbraw/zinc/39/07/61/1074390761.db2.gz CKIFVUXNBWJNJD-UHFFFAOYSA-N 0 3 439.582 -0.175 20 0 IBADHN Cn1c2ncc(NC(=O)N3CCC(C(N)=O)(N4CCCCC4)CC3)cc2c(=O)n(C)c1=O ZINC001198127696 1074390692 /nfs/dbraw/zinc/39/06/92/1074390692.db2.gz IOFYADLNRZMUGR-UHFFFAOYSA-N 0 3 443.508 -0.030 20 0 IBADHN Cc1ccc(C(=O)n2c3c(ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c(=O)nc2N)c(C)c1Cl ZINC001198236937 1074391849 /nfs/dbraw/zinc/39/18/49/1074391849.db2.gz FCXGYQFLPPEJDL-JZUNMBGUSA-N 0 3 448.867 -0.288 20 0 IBADHN COCCOc1cnc(C(=O)N2CCC3(CC2)C(=O)N(CCN(C)C)CCN3C)cn1 ZINC001199126858 1074397625 /nfs/dbraw/zinc/39/76/25/1074397625.db2.gz YDNWZRIPJKQROD-UHFFFAOYSA-N 0 3 434.541 -0.188 20 0 IBADHN COCCOc1ccnc(C(=O)N2CCC3(CC2)C(=O)N(CCN(C)C)CCN3C)n1 ZINC001199192296 1074397862 /nfs/dbraw/zinc/39/78/62/1074397862.db2.gz MBALESYQBKFCDJ-UHFFFAOYSA-N 0 3 434.541 -0.188 20 0 IBADHN COCCOc1ncc(C(=O)N2CCC3(CC2)C(=O)N(CCN(C)C)CCN3C)cn1 ZINC001199251102 1074398441 /nfs/dbraw/zinc/39/84/41/1074398441.db2.gz TWBGWASDWALFCG-UHFFFAOYSA-N 0 3 434.541 -0.188 20 0 IBADHN Nc1nc(=O)c2ncn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3N)c2n1C(=O)c1ccc(C2CCC2)nc1 ZINC001199290732 1074398985 /nfs/dbraw/zinc/39/89/85/1074398985.db2.gz JCLAJQJTSLUEEA-DZDCQFRTSA-N 0 3 441.448 -0.896 20 0 IBADHN CN1CCN(c2ccncc2C(=O)N2CCn3c(CN4CCOCC4)nnc3C2)CC1 ZINC001199354870 1074399443 /nfs/dbraw/zinc/39/94/43/1074399443.db2.gz DGXDXQAHVYVFNX-UHFFFAOYSA-N 0 3 426.525 -0.087 20 0 IBADHN CN(C)C(=O)COCc1nnc2n1CCN(C(=O)c1cnccc1N1CCN(C)CC1)C2 ZINC001199356670 1074399338 /nfs/dbraw/zinc/39/93/38/1074399338.db2.gz ZOEYNMREYGYPHI-UHFFFAOYSA-N 0 3 442.524 -0.314 20 0 IBADHN CC(=O)N1CC2(C1)CN(C(=O)c1cnccc1N1CCN(C)CC1)C[C@@H]2C(=O)N(C)C ZINC001199357160 1074399383 /nfs/dbraw/zinc/39/93/83/1074399383.db2.gz PEZHSPXAXAXLPS-GOSISDBHSA-N 0 3 428.537 -0.158 20 0 IBADHN CC(=O)N1CC2(C1)CN(C(=O)c1cnccc1N1CCN(C)CC1)C[C@H]2C(=O)N(C)C ZINC001199357161 1074399305 /nfs/dbraw/zinc/39/93/05/1074399305.db2.gz PEZHSPXAXAXLPS-SFHVURJKSA-N 0 3 428.537 -0.158 20 0 IBADHN Cc1cn([C@H]2C[C@H](NC(=O)c3cnccc3N3CCN(C)CC3)[C@@H](CO)O2)c(=O)[nH]c1=O ZINC001199359522 1074399789 /nfs/dbraw/zinc/39/97/89/1074399789.db2.gz NYKFPUNSBJYVLA-CGTJXYLNSA-N 0 3 444.492 -0.517 20 0 IBADHN Nc1cn(C(=O)c2cc(N3CCCNC3=O)ncn2)ccc1=NCCN1CCOCC1 ZINC001199423441 1074399849 /nfs/dbraw/zinc/39/98/49/1074399849.db2.gz YNSGPLFDOALVAK-UHFFFAOYSA-N 0 3 426.481 -0.299 20 0 IBADHN CN(C)CCN1CCN(C)C2(CCN(C(=O)c3cn(-c4ncccn4)cn3)CC2)C1=O ZINC001199553003 1074401789 /nfs/dbraw/zinc/40/17/89/1074401789.db2.gz LYRSXBVLEZUMDV-UHFFFAOYSA-N 0 3 426.525 -0.027 20 0 IBADHN OC[C@H]1O[C@@H](n2ccc3c2ncnc3NC(=S)NCCN2CCCCC2)[C@H](O)[C@@H]1O ZINC001200417516 1074340181 /nfs/dbraw/zinc/34/01/81/1074340181.db2.gz BRNWQWRURUDHCV-ATNYBXOESA-N 0 3 436.538 -0.185 20 0 IBADHN OC[C@H]1O[C@@H](n2cnc3c2ncnc3NC(=S)NCCN2CCCCC2)[C@H](O)[C@@H]1O ZINC001200418248 1074340221 /nfs/dbraw/zinc/34/02/21/1074340221.db2.gz DITQYGLXFCVBPH-LSCFUAHRSA-N 0 3 437.526 -0.790 20 0 IBADHN OC[C@H]1O[C@@H](n2cnc3c2ncnc3NC(=S)NCCN2CCCCC2)[C@@H](O)[C@@H]1O ZINC001200418251 1074340101 /nfs/dbraw/zinc/34/01/01/1074340101.db2.gz DITQYGLXFCVBPH-MBMVNNNZSA-N 0 3 437.526 -0.790 20 0 IBADHN COC(=O)[C@H](CCCCNC(=S)NCCN1CCCCC1)NC(=O)CNC(C)=O ZINC001200445283 1074340525 /nfs/dbraw/zinc/34/05/25/1074340525.db2.gz WGLWCSOHKUJPJK-INIZCTEOSA-N 0 3 429.587 -0.099 20 0 IBADHN COCCNS(=O)(=O)c1ccc(NC(=O)N2CCN(CCN(C)C)C(=O)C2)cc1 ZINC001200621025 1074344215 /nfs/dbraw/zinc/34/42/15/1074344215.db2.gz IDWIHYJXWBXBRR-UHFFFAOYSA-N 0 3 427.527 -0.151 20 0 IBADHN COC(=O)CCCN1CC[C@H]2N(S(C)(=O)=O)CC[C@@]2(C(=O)N2CCOCC2)CC1 ZINC001202219632 1074414331 /nfs/dbraw/zinc/41/43/31/1074414331.db2.gz JNCZFHULDNSSCS-APWZRJJASA-N 0 3 431.555 -0.086 20 0 IBADHN CS(=O)(=O)N1CC[C@@]2(C(=O)N3CCOCC3)CCN(C[C@@H]3CCC(=O)N3)CC[C@@H]12 ZINC001202832485 1073067901 /nfs/dbraw/zinc/06/79/01/1073067901.db2.gz RPWNSCCPEUYOML-FCEWJHQRSA-N 0 3 428.555 -0.760 20 0 IBADHN CS(=O)(=O)N1CC[C@@]2(C(=O)N3CCOCC3)CCN(C[C@H]3CCC(=O)N3)CC[C@@H]12 ZINC001202832492 1073067941 /nfs/dbraw/zinc/06/79/41/1073067941.db2.gz RPWNSCCPEUYOML-MDZRGWNJSA-N 0 3 428.555 -0.760 20 0 IBADHN CN1CCN(Cc2cccc(Nc3c(C(N)=O)ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c2)CC1 ZINC001204504145 1073326999 /nfs/dbraw/zinc/32/69/99/1073326999.db2.gz ZZFDFOROQRKKCP-QTQZEZTPSA-N 0 3 446.508 -0.916 20 0 IBADHN CN1CCN(Cc2ccc(Nc3c(C(N)=O)ncn3[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)cc2)CC1 ZINC001204734295 1073326880 /nfs/dbraw/zinc/32/68/80/1073326880.db2.gz PIVRJUPCUBCNFR-QTQZEZTPSA-N 0 3 446.508 -0.916 20 0 IBADHN CCc1ncc(CN[C@H]2CCCN(CCN3CCOCC3)C2)n1S(=O)(=O)N(C)C ZINC001207302244 1073327881 /nfs/dbraw/zinc/32/78/81/1073327881.db2.gz OQSLCFNBDSVHOI-KRWDZBQOSA-N 0 3 428.603 -0.014 20 0 IBADHN CCc1ncc(CN[C@@H]2CCCN(CCN3CCOCC3)C2)n1S(=O)(=O)N(C)C ZINC001207302245 1073327951 /nfs/dbraw/zinc/32/79/51/1073327951.db2.gz OQSLCFNBDSVHOI-QGZVFWFLSA-N 0 3 428.603 -0.014 20 0 IBADHN CC(=O)N1CCC(CN2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@H]3C(=O)N2CCOCC2)CC1 ZINC001208675768 1073330755 /nfs/dbraw/zinc/33/07/55/1073330755.db2.gz QHSKXAYEHWPJGU-GUDVDZBRSA-N 0 3 427.567 -0.161 20 0 IBADHN CC(=O)N1CCC(CN2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@@H]3C(=O)N2CCOCC2)CC1 ZINC001208675769 1073330607 /nfs/dbraw/zinc/33/06/07/1073330607.db2.gz QHSKXAYEHWPJGU-IPMKNSEASA-N 0 3 427.567 -0.161 20 0 IBADHN CN1CCC(=Nc2ncnc3c2nc(Br)n3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)CC1 ZINC001208741263 1073330738 /nfs/dbraw/zinc/33/07/38/1073330738.db2.gz GPHFOCAOWFMODT-SDBHATRESA-N 0 3 441.286 -0.168 20 0 IBADHN CCOC(=O)CCN1CC[C@H]2N(S(C)(=O)=O)CC[C@@]2(C(=O)N2CCOCC2)CC1 ZINC001209033439 1073331481 /nfs/dbraw/zinc/33/14/81/1073331481.db2.gz MNOPNBIGFISBGB-APWZRJJASA-N 0 3 431.555 -0.086 20 0 IBADHN CC1(C)O[C@H]([C@H](O)CO)[C@H](CN2CC[C@]3(C[C@@H](OCC(=O)N4CCCC4)CO3)C2)O1 ZINC001209272954 1073332011 /nfs/dbraw/zinc/33/20/11/1073332011.db2.gz MAZLILYVGIUILU-MGFJAUSVSA-N 0 3 428.526 -0.268 20 0 IBADHN CC1(C)O[C@H]([C@H](O)CO)[C@H](CN2C[C@H]3OCC[C@H]3[C@@H](C(=O)NCc3cccnc3)C2)O1 ZINC001209273015 1073332111 /nfs/dbraw/zinc/33/21/11/1073332111.db2.gz MPNBMJVYZWCPTK-YDETXVTLSA-N 0 3 435.521 -0.092 20 0 IBADHN CC1(C)O[C@H]([C@H](O)CO)[C@H](CN2C[C@H]3OCC[C@H]3[C@H](C(=O)NCc3cccnc3)C2)O1 ZINC001209273120 1073332566 /nfs/dbraw/zinc/33/25/66/1073332566.db2.gz MPNBMJVYZWCPTK-GPBSYSOESA-N 0 3 435.521 -0.092 20 0 IBADHN C[C@@H]1N(c2cnn(C)c2)C(=O)COC12CCN(C[C@@H]1OC(C)(C)O[C@@H]1[C@H](O)CO)CC2 ZINC001209273186 1073332442 /nfs/dbraw/zinc/33/24/42/1073332442.db2.gz OCPNDIYQFAEDAP-LKCYJCQHSA-N 0 3 438.525 -0.120 20 0 IBADHN C[C@H]1N(c2cnn(C)c2)C(=O)COC12CCN(C[C@@H]1OC(C)(C)O[C@@H]1[C@H](O)CO)CC2 ZINC001209273187 1073332346 /nfs/dbraw/zinc/33/23/46/1073332346.db2.gz OCPNDIYQFAEDAP-VYCZESIESA-N 0 3 438.525 -0.120 20 0 IBADHN CC1(C)O[C@H]([C@H](O)CO)[C@H](CN2CC[C@]3(C2)C[C@@H](NC(=O)c2cnccn2)CCO3)O1 ZINC001209273242 1073332419 /nfs/dbraw/zinc/33/24/19/1073332419.db2.gz OXPAUFYVRRHLDV-CXLSYUOUSA-N 0 3 436.509 -0.297 20 0 IBADHN CC1(C)O[C@H]([C@H](O)CO)[C@H](CN2CCC[C@]3(CO[C@H](C(=O)N4CCOCC4)C3)C2)O1 ZINC001209275050 1073332848 /nfs/dbraw/zinc/33/28/48/1073332848.db2.gz QQCBBWLUSJZQFG-BWZHCXAASA-N 0 3 428.526 -0.410 20 0 IBADHN CC1(C)O[C@H]([C@H](O)CO)[C@H](CN2CCC[C@@]3(CO[C@H](C(=O)N4CCOCC4)C3)C2)O1 ZINC001209275051 1073333184 /nfs/dbraw/zinc/33/31/84/1073333184.db2.gz QQCBBWLUSJZQFG-GFZGVUQPSA-N 0 3 428.526 -0.410 20 0 IBADHN CC1(C)O[C@H]([C@H](O)CO)[C@H](CN2CCC[C@@]3(CO[C@@H](C(=O)N4CCOCC4)C3)C2)O1 ZINC001209275052 1073333071 /nfs/dbraw/zinc/33/30/71/1073333071.db2.gz QQCBBWLUSJZQFG-YKGACUOXSA-N 0 3 428.526 -0.410 20 0 IBADHN CC1(C)O[C@H]([C@H](O)CO)[C@H](CN2CCC[C@]3(CO[C@@H](C(=O)N4CCOCC4)C3)C2)O1 ZINC001209275054 1073333208 /nfs/dbraw/zinc/33/32/08/1073333208.db2.gz QQCBBWLUSJZQFG-ZIKOTGLESA-N 0 3 428.526 -0.410 20 0 IBADHN CC1(C)O[C@H]([C@H](O)CO)[C@H](CN2CCC3(CC2)CN(C(=O)c2cnccn2)CCO3)O1 ZINC001209275083 1073333237 /nfs/dbraw/zinc/33/32/37/1073333237.db2.gz QYGIQNLODSFOKL-FGTMMUONSA-N 0 3 436.509 -0.343 20 0 IBADHN CS(=O)(=O)N1CC[C@@]2(C(=O)N3CCOCC3)CCN(CCN3CCOCC3)CC[C@@H]12 ZINC001209290394 1073333550 /nfs/dbraw/zinc/33/35/50/1073333550.db2.gz RBJKZXULOIVQTE-QUCCMNQESA-N 0 3 444.598 -0.707 20 0 IBADHN CN1CCN(CCCS(=O)(=O)NCC(=O)N2CCN(Cc3ccccc3)CC2)CC1 ZINC001209375578 1073334152 /nfs/dbraw/zinc/33/41/52/1073334152.db2.gz DCZSBMCPUAWFFO-UHFFFAOYSA-N 0 3 437.610 -0.112 20 0 IBADHN CS(=O)(=O)N1CC[C@@]2(C(=O)N3CCOCC3)CCN(Cc3cnccc3N)CC[C@@H]12 ZINC001209727861 1073334502 /nfs/dbraw/zinc/33/45/02/1073334502.db2.gz ZTJAHJWUSNHBFR-QUCCMNQESA-N 0 3 437.566 -0.031 20 0 IBADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCS(=O)(=NS(C)(=O)=O)CC1 ZINC001211973433 1072900733 /nfs/dbraw/zinc/90/07/33/1072900733.db2.gz HORATSCIMAJVMD-SECBINFHSA-N 0 3 444.475 -0.057 20 0 IBADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCS(=O)(=NS(C)(=O)=O)CC1 ZINC001211973434 1072900752 /nfs/dbraw/zinc/90/07/52/1072900752.db2.gz HORATSCIMAJVMD-VIFPVBQESA-N 0 3 444.475 -0.057 20 0 IBADHN CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)c1nc(-c2ccc3c(n2)CCNC3)no1 ZINC001211977944 1072905943 /nfs/dbraw/zinc/90/59/43/1072905943.db2.gz QMJCORLIBHBHMS-SRVKXCTJSA-N 0 3 429.481 -0.016 20 0 IBADHN COc1nc(-c2noc(CC[C@@H](NC(=O)[C@H](C)N)C(N)=O)n2)ccc1-n1cnc(C)c1 ZINC001211998654 1072953173 /nfs/dbraw/zinc/95/31/73/1072953173.db2.gz VFSFKIFTCZIMBC-NWDGAFQWSA-N 0 3 428.453 -0.116 20 0 IBADHN C[C@H](N)C(=O)N[C@H](CCc1nc(-c2ccc(I)nc2)no1)C(N)=O ZINC001212000656 1072954430 /nfs/dbraw/zinc/95/44/30/1072954430.db2.gz REHUMKWNTGRYNX-IONNQARKSA-N 0 3 444.233 -0.014 20 0 IBADHN O=C(CNC(=O)c1ccccc1)NCC(=O)NCc1nc(-c2ccc3c(n2)CCNC3)no1 ZINC001212014327 1072954860 /nfs/dbraw/zinc/95/48/60/1072954860.db2.gz LVDBVZAEWYTQNY-UHFFFAOYSA-N 0 3 449.471 -0.060 20 0 IBADHN CCOC(=O)N1CCN(S(=O)(=O)NCC2(N3CCOCC3)CCN(C)CC2)CC1 ZINC001212158369 1072198465 /nfs/dbraw/zinc/19/84/65/1072198465.db2.gz QUFREWXDOIKDQE-UHFFFAOYSA-N 0 3 433.575 -0.609 20 0 IBADHN CN1C(=O)c2ccc(S(=O)(=O)NCC3(N4CCOCC4)CCN(C)CC3)cc2C1=O ZINC001212158717 1072200143 /nfs/dbraw/zinc/20/01/43/1072200143.db2.gz VFUAMPKGRGNBRN-UHFFFAOYSA-N 0 3 436.534 -0.013 20 0 IBADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCS(=O)(=O)C[C@H]1CC(=O)OC ZINC001213348049 1073338668 /nfs/dbraw/zinc/33/86/68/1073338668.db2.gz IEFXVRIHMUCJDA-NXEZZACHSA-N 0 3 439.430 -0.138 20 0 IBADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCS(=O)(=O)C[C@@H]1CC(=O)OC ZINC001213348050 1073338658 /nfs/dbraw/zinc/33/86/58/1073338658.db2.gz IEFXVRIHMUCJDA-UWVGGRQHSA-N 0 3 439.430 -0.138 20 0 IBADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCS(=O)(=O)C[C@@H]1CC(=O)OC ZINC001213348051 1073338801 /nfs/dbraw/zinc/33/88/01/1073338801.db2.gz IEFXVRIHMUCJDA-VHSXEESVSA-N 0 3 439.430 -0.138 20 0 IBADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCS(=O)(=O)C[C@H]1CC(=O)OC ZINC001213348052 1073338703 /nfs/dbraw/zinc/33/87/03/1073338703.db2.gz IEFXVRIHMUCJDA-ZJUUUORDSA-N 0 3 439.430 -0.138 20 0 IBADHN COc1ccc(NC(=O)N2CCN3C[C@H](O)C[C@H]3C2)cc1S(=O)(=O)N1CCOCC1 ZINC001214258932 1073344902 /nfs/dbraw/zinc/34/49/02/1073344902.db2.gz WHNSFEYRORQEMM-JKSUJKDBSA-N 0 3 440.522 -0.001 20 0 IBADHN CN1CC(=O)N(Cc2ccc(C(N)=O)cc2NC(=O)N2CCN3C[C@H](O)C[C@H]3C2)C1=O ZINC001215928273 1073346309 /nfs/dbraw/zinc/34/63/09/1073346309.db2.gz NFUVFPUYWGJEMJ-LSDHHAIUSA-N 0 3 430.465 -0.538 20 0 IBADHN CC(=O)OC[C@H]1O[C@@H](n2cnc3c2ncnc3OC2CNC2)[C@H](OC(C)=O)[C@@H]1OC(C)=O ZINC001218049100 1073347841 /nfs/dbraw/zinc/34/78/41/1073347841.db2.gz CWELMKNTFVGSDA-NVQRDWNXSA-N 0 3 449.420 -0.499 20 0 IBADHN CC(=O)Nc1nc2c(ncn2COC(COC(C)=O)COC(C)=O)c(OC2CNC2)n1 ZINC001218050483 1073347816 /nfs/dbraw/zinc/34/78/16/1073347816.db2.gz UBHNQZWZNWHYBL-UHFFFAOYSA-N 0 3 436.425 -0.396 20 0 IBADHN C[C@@H](Cn1cnc2c1c(=O)n(C)c(=O)n2C)Oc1cc(C[C@H](N)C(=O)N(C)C)ccc1O ZINC001218294567 1073348578 /nfs/dbraw/zinc/34/85/78/1073348578.db2.gz WDGLAAXYLDHGBU-JSGCOSHPSA-N 0 3 444.492 -0.435 20 0 IBADHN C[C@H](Cn1cnc2c1c(=O)n(C)c(=O)n2C)Oc1cc(C[C@H](N)C(=O)N(C)C)ccc1O ZINC001218294569 1073348446 /nfs/dbraw/zinc/34/84/46/1073348446.db2.gz WDGLAAXYLDHGBU-OCCSQVGLSA-N 0 3 444.492 -0.435 20 0 IBADHN COC(=O)c1nc(C(C)(C)N)n(C)c(=O)c1O[C@@H]1C(=O)O[C@@H]2[C@H]3OC(C)(C)O[C@H]3O[C@H]12 ZINC001218315159 1073349021 /nfs/dbraw/zinc/34/90/21/1073349021.db2.gz VNEWKXPAFPHANZ-BGCDDMGFSA-N 0 3 439.421 -0.690 20 0 IBADHN COC(=O)c1nc(C(C)(C)N)n(C)c(=O)c1OC[C@H]1COCCOCCOCCO1 ZINC001218356966 1073349166 /nfs/dbraw/zinc/34/91/66/1073349166.db2.gz SMFYETUBUURYEN-CYBMUJFWSA-N 0 3 429.470 -0.412 20 0 IBADHN COC(=O)c1nc(C(C)(C)N)n(C)c(=O)c1OC[C@@H]1COCCOCCOCCO1 ZINC001218356970 1073349176 /nfs/dbraw/zinc/34/91/76/1073349176.db2.gz SMFYETUBUURYEN-ZDUSSCGKSA-N 0 3 429.470 -0.412 20 0 IBADHN COC(=O)c1nc(C(C)(C)N)n(C)c(=O)c1O[C@H](C[n+]1ccccc1)CS(=O)(=O)[O-] ZINC001218442136 1073349919 /nfs/dbraw/zinc/34/99/19/1073349919.db2.gz PPPFVFWYYMVZFV-GFCCVEGCSA-O 0 3 441.486 -0.616 20 0 IBADHN COC(=O)c1nc(C(C)(C)N)n(C)c(=O)c1O[C@@H](C[n+]1ccccc1)CS(=O)(=O)[O-] ZINC001218442138 1073349814 /nfs/dbraw/zinc/34/98/14/1073349814.db2.gz PPPFVFWYYMVZFV-LBPRGKRZSA-O 0 3 441.486 -0.616 20 0 IBADHN Cc1cc(C[C@H](C)NC(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)C(C)C)C(=O)CF)on1 ZINC001218500176 1073349996 /nfs/dbraw/zinc/34/99/96/1073349996.db2.gz CMVPYZHUSZXOCF-QCRGFSPQSA-N 0 3 441.504 -0.068 20 0 IBADHN Cc1cc(C[C@@H](C)NC(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)C(C)C)C(=O)CF)on1 ZINC001218500177 1073349767 /nfs/dbraw/zinc/34/97/67/1073349767.db2.gz CMVPYZHUSZXOCF-YMXNGHFFSA-N 0 3 441.504 -0.068 20 0 IBADHN COc1nn(C)cc1NC(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)C(C)C)C(=O)CF ZINC001218505537 1073349944 /nfs/dbraw/zinc/34/99/44/1073349944.db2.gz XFRYFWKKEMLIMG-PGUXBMHVSA-N 0 3 428.465 -0.731 20 0 IBADHN CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)Nc1ccc(Cl)nn1)C(=O)CF ZINC001218506862 1073350462 /nfs/dbraw/zinc/35/04/62/1073350462.db2.gz FQUDEEYRYOVAQR-YHAQOWFVSA-N 0 3 430.868 -0.030 20 0 IBADHN C[C@H](N)C(=O)N[C@H](CCC(=O)Nc1nc(N)ccc1I)C(N)=O ZINC001218507804 1073350373 /nfs/dbraw/zinc/35/03/73/1073350373.db2.gz RSZARMOKHSVSSD-POYBYMJQSA-N 0 3 434.238 -0.696 20 0 IBADHN CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ncnc2n[nH]nc21 ZINC001218515590 1073350476 /nfs/dbraw/zinc/35/04/76/1073350476.db2.gz IWCGAEBUTQVJIZ-ZFWWWQNUSA-N 0 3 439.480 -0.487 20 0 IBADHN CN1CCN(c2ccc(NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc3ccc(O)cc3)nc2)CC1 ZINC001218516997 1073350422 /nfs/dbraw/zinc/35/04/22/1073350422.db2.gz LDQCXJDSQUAPIA-OALUTQOASA-N 0 3 442.520 -0.475 20 0 IBADHN CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)Nc1ncnc2n[nH]cc21)C(=O)CF ZINC001218517198 1073350301 /nfs/dbraw/zinc/35/03/01/1073350301.db2.gz FZQWLZHIUVVBEV-CHIMOYNISA-N 0 3 436.448 -0.807 20 0 IBADHN CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N=c1ncnc2[nH][nH]cc1-2 ZINC001218517328 1073350540 /nfs/dbraw/zinc/35/05/40/1073350540.db2.gz HSXLKJPITACTAH-RDJZCZTQSA-N 0 3 438.492 -0.508 20 0 IBADHN COC(=O)c1nc(Br)cnc1NC(=O)CC[C@@H](NC(=O)[C@H](C)N)C(N)=O ZINC001218523417 1073350251 /nfs/dbraw/zinc/35/02/51/1073350251.db2.gz FCKMGLAEXWONBY-NKWVEPMBSA-N 0 3 431.247 -0.938 20 0 IBADHN CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)Nc1[nH]nc2cccnc21)C(=O)CF ZINC001218524306 1073350489 /nfs/dbraw/zinc/35/04/89/1073350489.db2.gz XHVLJTZSDBVFMM-WBIUFABUSA-N 0 3 435.460 -0.202 20 0 IBADHN COc1ccnc(NC(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)C(C)C)C(=O)CF)c1 ZINC001218527210 1073350555 /nfs/dbraw/zinc/35/05/55/1073350555.db2.gz BGQUJLCTCMCJKR-BNLOLNQZSA-N 0 3 425.461 -0.070 20 0 IBADHN CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)Nc1c2c(nn1C)CCC2)C(=O)CF ZINC001218528215 1073350395 /nfs/dbraw/zinc/35/03/95/1073350395.db2.gz OJYVPMLDBMKPII-YLVFBTJISA-N 0 3 438.504 -0.251 20 0 IBADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)Nc1nccc(Cl)c1I ZINC001218529949 1073350923 /nfs/dbraw/zinc/35/09/23/1073350923.db2.gz OSWQDYNSFSLRIT-FSPLSTOPSA-N 0 3 439.641 -0.015 20 0 IBADHN COc1cc(NC(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)C(C)C)C(=O)CF)ncn1 ZINC001218536876 1073350700 /nfs/dbraw/zinc/35/07/00/1073350700.db2.gz YYSILYMFNZBWNQ-MMPTUQATSA-N 0 3 426.449 -0.675 20 0 IBADHN CCOC(=O)c1c(C)c(C(=O)N(C)C)sc1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N ZINC001218548521 1073350968 /nfs/dbraw/zinc/35/09/68/1073350968.db2.gz MAKPUCPMYXCMTC-UWVGGRQHSA-N 0 3 441.510 -0.419 20 0 IBADHN CCOC(=O)c1ncn(Cc2ccccc2)c1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N ZINC001218550393 1073350846 /nfs/dbraw/zinc/35/08/46/1073350846.db2.gz XEGZLAHQNORNRJ-JSGCOSHPSA-N 0 3 430.465 -0.246 20 0 IBADHN Cc1noc(NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](N)C(C)C)c1C(N)=O ZINC001218551189 1073350936 /nfs/dbraw/zinc/35/09/36/1073350936.db2.gz IBDSXDOTVMRSFX-YOEHRIQHSA-N 0 3 444.492 -0.153 20 0 IBADHN CN1CCN(c2ncccc2NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc2ccc(O)cc2)CC1 ZINC001218555573 1073350781 /nfs/dbraw/zinc/35/07/81/1073350781.db2.gz LSHMDPCTAWMPKM-HKUYNNGSSA-N 0 3 442.520 -0.475 20 0 IBADHN CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)Nc1ncnc2[nH]ccc21)C(=O)CF ZINC001218558985 1073350864 /nfs/dbraw/zinc/35/08/64/1073350864.db2.gz JDMPWLCNCVYSIK-WBIUFABUSA-N 0 3 435.460 -0.202 20 0 IBADHN CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ncnn2cccc12 ZINC001218563718 1073351580 /nfs/dbraw/zinc/35/15/80/1073351580.db2.gz BCSJKPYTBZIPMA-LPHOPBHVSA-N 0 3 437.504 -0.083 20 0 IBADHN Cc1nc(NC(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)C(C)C)C(=O)CF)cc(=O)[nH]1 ZINC001218564303 1073351458 /nfs/dbraw/zinc/35/14/58/1073351458.db2.gz HSPWVOBBILVPIU-QEKSWQHZSA-N 0 3 426.449 -0.669 20 0 IBADHN CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)Nc1[nH]nc2nccnc21)C(=O)CF ZINC001218567106 1073351565 /nfs/dbraw/zinc/35/15/65/1073351565.db2.gz AVOUQVVMAYMQDE-KWBADKCTSA-N 0 3 436.448 -0.807 20 0 IBADHN CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)n1ccc(Cl)c(N)c1=N)C(=O)CF ZINC001218567865 1073351442 /nfs/dbraw/zinc/35/14/42/1073351442.db2.gz VCMJHFBUCXCSIJ-CHIMOYNISA-N 0 3 444.895 -0.255 20 0 IBADHN CCN(CC)c1nc(Br)cnc1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N ZINC001218574213 1073351305 /nfs/dbraw/zinc/35/13/05/1073351305.db2.gz YEGNHQRQGPLATK-IUCAKERBSA-N 0 3 430.307 -0.269 20 0 IBADHN CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)Nc1noc2nccnc12)C(=O)CF ZINC001218574787 1073351356 /nfs/dbraw/zinc/35/13/56/1073351356.db2.gz TYEOXGUUWZKRSO-KWBADKCTSA-N 0 3 437.432 -0.542 20 0 IBADHN CCOC(=O)c1cnc2nc(SC)nn2c1NC(=O)[C@@H]1CCS(=O)(=O)C12CNC2 ZINC001218593988 1073351865 /nfs/dbraw/zinc/35/18/65/1073351865.db2.gz GXDAYZYCYPJLLG-JTQLQIEISA-N 0 3 440.507 -0.262 20 0 IBADHN CCOC(=O)c1cnc2nc(SC)nn2c1NC(=O)[C@H]1CCS(=O)(=O)C12CNC2 ZINC001218593992 1073351929 /nfs/dbraw/zinc/35/19/29/1073351929.db2.gz GXDAYZYCYPJLLG-SNVBAGLBSA-N 0 3 440.507 -0.262 20 0 IBADHN COc1ncc(NC(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)C(C)C)C(=O)CF)cn1 ZINC001218594214 1073351909 /nfs/dbraw/zinc/35/19/09/1073351909.db2.gz VFWBQROALMTTCC-WBIUFABUSA-N 0 3 426.449 -0.675 20 0 IBADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)n1c(N)c(-c2cccc(Cl)c2Cl)nnc1=N ZINC001218603104 1073352266 /nfs/dbraw/zinc/35/22/66/1073352266.db2.gz UTKNQUJVKTWQNV-RCOVLWMOSA-N 0 3 441.279 -0.339 20 0 IBADHN CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)n1c(=N)ccc(F)c1N)C(=O)CF ZINC001218603878 1073352686 /nfs/dbraw/zinc/35/26/86/1073352686.db2.gz IYPVMYVGBXFIJQ-ZSGNIPIJSA-N 0 3 428.440 -0.769 20 0 IBADHN Cn1cc(I)c2c1ncnc2NC(=O)[C@H]1COC2(CNC2)CN1 ZINC001218604433 1073352755 /nfs/dbraw/zinc/35/27/55/1073352755.db2.gz OTQNEKFUFLCJEF-SECBINFHSA-N 0 3 428.234 -0.158 20 0 IBADHN Cn1cc(I)c2c1ncnc2NC(=O)[C@@H]1COC2(CNC2)CN1 ZINC001218604434 1073352721 /nfs/dbraw/zinc/35/27/21/1073352721.db2.gz OTQNEKFUFLCJEF-VIFPVBQESA-N 0 3 428.234 -0.158 20 0 IBADHN Cn1nc(NC(=O)[C@@H]2COC3(CNC3)CN2)c2cc(I)cnc21 ZINC001218607242 1073352777 /nfs/dbraw/zinc/35/27/77/1073352777.db2.gz ZSZYHSVSSIBSMR-JTQLQIEISA-N 0 3 428.234 -0.158 20 0 IBADHN Cn1nc(NC(=O)[C@H]2COC3(CNC3)CN2)c2cc(I)cnc21 ZINC001218607243 1073352608 /nfs/dbraw/zinc/35/26/08/1073352608.db2.gz ZSZYHSVSSIBSMR-SNVBAGLBSA-N 0 3 428.234 -0.158 20 0 IBADHN COC(=O)Cn1cc(NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)N)cn1 ZINC001218612514 1073352804 /nfs/dbraw/zinc/35/28/04/1073352804.db2.gz ZTGISSJURWAHQS-BPUTZDHNSA-N 0 3 436.513 -0.136 20 0 IBADHN CCOC(=O)c1cnn(Cc2ccccc2)c1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N ZINC001218612865 1073352936 /nfs/dbraw/zinc/35/29/36/1073352936.db2.gz GZUCVHAGDCVKNP-WFASDCNBSA-N 0 3 430.465 -0.246 20 0 IBADHN CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)Nc1cnc2n[nH]cc2c1)C(=O)CF ZINC001218615257 1073352872 /nfs/dbraw/zinc/35/28/72/1073352872.db2.gz WGCGTFZIOIOYRD-NKFCBESUSA-N 0 3 435.460 -0.202 20 0 IBADHN CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)Nc1cnc2c(cnn2C)c1)C(=O)CF ZINC001218615875 1073352629 /nfs/dbraw/zinc/35/26/29/1073352629.db2.gz SUBLWKSUWTWSMG-YLVFBTJISA-N 0 3 449.487 -0.192 20 0 IBADHN CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1nccnc1C(N)=O ZINC001218617529 1073352852 /nfs/dbraw/zinc/35/28/52/1073352852.db2.gz IOEDPYQNIQFYBS-HOCLYGCPSA-N 0 3 441.492 -0.659 20 0 IBADHN CCOC(=O)c1cnn(-c2cc(NC(=O)CC[C@@H](NC(=O)[C@H](C)N)C(N)=O)ccn2)c1 ZINC001218620414 1073353066 /nfs/dbraw/zinc/35/30/66/1073353066.db2.gz HAPCPBDLUWVRRW-SMDDNHRTSA-N 0 3 431.453 -0.520 20 0 IBADHN CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)n1c(Cl)ncc(N)c1=N)C(=O)CF ZINC001218621065 1073353300 /nfs/dbraw/zinc/35/33/00/1073353300.db2.gz FGNPMQIAQGIBKJ-FWDPORAESA-N 0 3 445.883 -0.860 20 0 IBADHN CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)Nc1ccnc2c1CCC2)C(=O)CF ZINC001218622211 1073353119 /nfs/dbraw/zinc/35/31/19/1073353119.db2.gz YHCLTDRTXCHWOI-UVIMBBFXSA-N 0 3 435.500 -0.168 20 0 IBADHN CCOc1cnc(NC(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)C(C)C)C(=O)CF)cn1 ZINC001218622311 1073353231 /nfs/dbraw/zinc/35/32/31/1073353231.db2.gz ZREXFXGKHCJVOW-PRXAMGSTSA-N 0 3 440.476 -0.285 20 0 IBADHN CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)c1nccnc1N ZINC001218623496 1073353269 /nfs/dbraw/zinc/35/32/69/1073353269.db2.gz OXZBDKQPPHWKFC-RDJZCZTQSA-N 0 3 427.509 -0.151 20 0 IBADHN COc1nccc(N)c1NC(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)C(C)C)C(=O)CF ZINC001218633277 1073354014 /nfs/dbraw/zinc/35/40/14/1073354014.db2.gz ISLZBHBUTRZPBT-WBIUFABUSA-N 0 3 440.476 -0.488 20 0 IBADHN CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)Nc1cn[nH]c(=O)c1Cl)C(=O)CF ZINC001218633962 1073354058 /nfs/dbraw/zinc/35/40/58/1073354058.db2.gz UNQBATQJWBZWDP-FZNYLWTLSA-N 0 3 446.867 -0.324 20 0 IBADHN C[C@H](N)C(=O)N[C@H](CCC(=O)N(CC1CC1)c1nc(Br)cnc1N)C(N)=O ZINC001218635514 1073354808 /nfs/dbraw/zinc/35/48/08/1073354808.db2.gz GTESWLDQUJSFMM-WCBMZHEXSA-N 0 3 442.318 -0.338 20 0 IBADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N(CC1CC1)c1nc(Br)cnc1N ZINC001218636483 1073354841 /nfs/dbraw/zinc/35/48/41/1073354841.db2.gz WUICKLPBNFTGAU-CBAPKCEASA-N 0 3 428.291 -0.728 20 0 IBADHN N=c1nc2ncc(-c3cccc(O)c3)nc2c(N)n1C(=O)[C@H]1CCS(=O)(=O)C12CNC2 ZINC001218647995 1073354860 /nfs/dbraw/zinc/35/48/60/1073354860.db2.gz RAFKXFKPBCZKGY-GFCCVEGCSA-N 0 3 441.473 -0.323 20 0 IBADHN N=c1nc2ncc(-c3cccc(O)c3)nc2c(N)n1C(=O)[C@@H]1CCS(=O)(=O)C12CNC2 ZINC001218647996 1073354977 /nfs/dbraw/zinc/35/49/77/1073354977.db2.gz RAFKXFKPBCZKGY-LBPRGKRZSA-N 0 3 441.473 -0.323 20 0 IBADHN CCOC(=O)c1nc(Cl)nc(Cl)c1NC(=O)CC[C@@H](NC(=O)[C@H](C)N)C(N)=O ZINC001218650068 1073355074 /nfs/dbraw/zinc/35/50/74/1073355074.db2.gz MXFAMFWRIBNGBQ-NKWVEPMBSA-N 0 3 435.268 -0.004 20 0 IBADHN Cc1c[nH]c(=O)cc1NC(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)C(C)C)C(=O)CF ZINC001218651402 1073354958 /nfs/dbraw/zinc/35/49/58/1073354958.db2.gz JKYPAHYSHVGYQT-BNLOLNQZSA-N 0 3 425.461 -0.064 20 0 IBADHN CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)Nc1nc(Cl)cnc1N)C(=O)CF ZINC001218652965 1073355427 /nfs/dbraw/zinc/35/54/27/1073355427.db2.gz SUPSSWBUXMAFCP-RVBZMBCESA-N 0 3 445.883 -0.448 20 0 IBADHN CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)Nc1ccn2cnnc2c1)C(=O)CF ZINC001218658854 1073355448 /nfs/dbraw/zinc/35/54/48/1073355448.db2.gz KUJFJCORKWEZJP-BNLOLNQZSA-N 0 3 435.460 -0.431 20 0 IBADHN CCOC(=O)c1cnn(-c2ccccc2F)c1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N ZINC001218659027 1073355341 /nfs/dbraw/zinc/35/53/41/1073355341.db2.gz GNRSVKXLDCYIRA-GWCFXTLKSA-N 0 3 434.428 -0.166 20 0 IBADHN COC(=O)c1nnn(Cc2ccccc2)c1NC(=O)CC[C@@H](NC(=O)[C@H](C)N)C(N)=O ZINC001218661771 1073355463 /nfs/dbraw/zinc/35/54/63/1073355463.db2.gz QOKLBZLJHQLUJW-WCQYABFASA-N 0 3 431.453 -0.851 20 0 IBADHN CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)Nc1nc(N)cnc1Cl)C(=O)CF ZINC001218674213 1073355483 /nfs/dbraw/zinc/35/54/83/1073355483.db2.gz VAGKHBBQEFEULF-RVBZMBCESA-N 0 3 445.883 -0.448 20 0 IBADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)Nc1cc(I)c2nccn2c1 ZINC001218674920 1073355320 /nfs/dbraw/zinc/35/53/20/1073355320.db2.gz JHMHWEDQQXGWEN-XVKPBYJWSA-N 0 3 444.233 -0.415 20 0 IBADHN C[C@H](N)C(=O)N[C@H](CCC(=O)Nc1ncc(N)cc1I)C(N)=O ZINC001218678658 1073355398 /nfs/dbraw/zinc/35/53/98/1073355398.db2.gz BFXFIRHXPFJQNS-IMTBSYHQSA-N 0 3 434.238 -0.696 20 0 IBADHN CCOc1cc(N)n(C(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)N)c(=N)n1 ZINC001218681033 1073355748 /nfs/dbraw/zinc/35/57/48/1073355748.db2.gz OJQPNNQENQOUEV-IHRRRGAJSA-N 0 3 435.529 -0.147 20 0 IBADHN Cc1cc(NC(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)C(C)C)C(=O)CF)cc(=O)o1 ZINC001218682032 1073355859 /nfs/dbraw/zinc/35/58/59/1073355859.db2.gz KNJJMGBGHPVNJN-BNLOLNQZSA-N 0 3 426.445 -0.212 20 0 IBADHN CSc1nc(Br)c(NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N)n2ccnc12 ZINC001218688980 1073355772 /nfs/dbraw/zinc/35/57/72/1073355772.db2.gz UXJIBIMLQOUQEI-BQBZGAKWSA-N 0 3 444.315 -0.140 20 0 IBADHN Cc1nnc2cc(NC(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)C(C)C)C(=O)CF)ccn12 ZINC001218700068 1073356006 /nfs/dbraw/zinc/35/60/06/1073356006.db2.gz VGOONOADDZAMOO-MIUNTBIASA-N 0 3 449.487 -0.122 20 0 IBADHN COCn1cc(NC(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)C(C)C)C(=O)CF)cn1 ZINC001218701533 1073355939 /nfs/dbraw/zinc/35/59/39/1073355939.db2.gz VLKXPTFXZJDNAF-RBOXIYTFSA-N 0 3 428.465 -0.673 20 0 IBADHN CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1oncc1C(N)=O ZINC001218702482 1073356398 /nfs/dbraw/zinc/35/63/98/1073356398.db2.gz RGNARBXQKKTRJU-HOCLYGCPSA-N 0 3 430.465 -0.461 20 0 IBADHN CC(=O)c1nn(C)cc1NC(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)C(C)C)C(=O)CF ZINC001218707221 1073356266 /nfs/dbraw/zinc/35/62/66/1073356266.db2.gz GDWFNKRVZKXBGT-PKWAYOAASA-N 0 3 440.476 -0.537 20 0 IBADHN COc1cc2cc(C(N)=O)c(NC(=O)CC[C@@H](NC(=O)[C@H](C)N)C(N)=O)nc2cc1OC ZINC001218709672 1073356708 /nfs/dbraw/zinc/35/67/08/1073356708.db2.gz BDPMALXXZUNSRS-JOYOIKCWSA-N 0 3 446.464 -0.613 20 0 IBADHN Cc1cc(=O)c(N)c(C)n1C(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)C(C)C)C(=O)CF ZINC001218719027 1073356751 /nfs/dbraw/zinc/35/67/51/1073356751.db2.gz VLPAMKNXAWFPTJ-BNLOLNQZSA-N 0 3 439.488 -0.411 20 0 IBADHN COC(=O)c1cc(Br)cc(NC(=O)CC[C@@H](NC(=O)[C@H](C)N)C(N)=O)n1 ZINC001218733548 1073356784 /nfs/dbraw/zinc/35/67/84/1073356784.db2.gz GTXKPGJOZAQQAV-IONNQARKSA-N 0 3 430.259 -0.333 20 0 IBADHN CC(=O)N1CCC(Cn2ncc(C)c2NC(=O)CC[C@@H](NC(=O)[C@H](C)N)C(N)=O)CC1 ZINC001218735547 1073356759 /nfs/dbraw/zinc/35/67/59/1073356759.db2.gz QAFBIWZOTGRKTP-XJKSGUPXSA-N 0 3 435.529 -0.514 20 0 IBADHN CCN=c1ncc(N)cn1C(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](N)C(C)C ZINC001218739560 1073356835 /nfs/dbraw/zinc/35/68/35/1073356835.db2.gz FIOPOKNMTHYNHG-HKUYNNGSSA-N 0 3 441.536 -0.147 20 0 IBADHN CCN=c1ccc(N)cn1C(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)C(C)C)C(=O)CF ZINC001218741029 1073356739 /nfs/dbraw/zinc/35/67/39/1073356739.db2.gz INEMQNWZIBEXJW-YEWDVWPNSA-N 0 3 438.504 -0.467 20 0 IBADHN CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)Nc1cc(N(C)C)n[nH]1)C(=O)CF ZINC001218742240 1073357031 /nfs/dbraw/zinc/35/70/31/1073357031.db2.gz BOGZFFQJSVKBDB-MMPTUQATSA-N 0 3 427.481 -0.684 20 0 IBADHN CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)Nc1cn(CCF)cn1)C(=O)CF ZINC001218744158 1073357142 /nfs/dbraw/zinc/35/71/42/1073357142.db2.gz YIVNGHKMTMJFOW-MKBNYLNASA-N 0 3 430.456 -0.307 20 0 IBADHN Cc1cnn(CCO)c1NC(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)C(C)C)C(=O)CF ZINC001218749342 1073357061 /nfs/dbraw/zinc/35/70/61/1073357061.db2.gz AKPMWXAZUACJGI-XEZPLFJOSA-N 0 3 442.492 -0.976 20 0 IBADHN CSCC[C@H](N)C(=O)N[C@@H](CCSC)C(=O)Nc1cncc(S(N)(=O)=O)c1 ZINC001218750371 1073357180 /nfs/dbraw/zinc/35/71/80/1073357180.db2.gz FZQYEZRRVVPDKS-STQMWFEESA-N 0 3 435.597 -0.014 20 0 IBADHN Cc1cnn(CCO)c1NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](N)C(C)C ZINC001218750892 1073357075 /nfs/dbraw/zinc/35/70/75/1073357075.db2.gz YCJWHMDMCYZQBL-HKUYNNGSSA-N 0 3 444.536 -0.051 20 0 IBADHN C[C@@H](N)C(=O)Nc1ncnc2c1c(I)cn2[C@H]1C[C@@H](O)[C@H](CO)O1 ZINC001218755045 1073357121 /nfs/dbraw/zinc/35/71/21/1073357121.db2.gz YYILVXPVYUXHRN-SFKDOBOXSA-N 0 3 447.233 -0.038 20 0 IBADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)Nc1cnc2c(Cl)nc(Br)cn12 ZINC001218760336 1073357376 /nfs/dbraw/zinc/35/73/76/1073357376.db2.gz RUPGARGRCSCJBW-WDSKDSINSA-N 0 3 432.666 -0.209 20 0 IBADHN COC(=O)c1cc(-c2ccn(C(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N)c(=N)c2N)ccc1C ZINC001218770549 1073357779 /nfs/dbraw/zinc/35/77/79/1073357779.db2.gz GIFDNWRXPVSSAP-NHYWBVRUSA-N 0 3 442.476 -0.341 20 0 IBADHN N[C@H](C(=O)Nc1ccnc2c(N(CCO)CCO)cnn21)C1CCC2(CC1)OCCO2 ZINC001218770557 1073357747 /nfs/dbraw/zinc/35/77/47/1073357747.db2.gz JACXKFWTEWNDHN-KRWDZBQOSA-N 0 3 434.497 -0.281 20 0 IBADHN N[C@@H](C(=O)Nc1ccnc2c(N(CCO)CCO)cnn21)C1CCC2(CC1)OCCO2 ZINC001218770558 1073357735 /nfs/dbraw/zinc/35/77/35/1073357735.db2.gz JACXKFWTEWNDHN-QGZVFWFLSA-N 0 3 434.497 -0.281 20 0 IBADHN C[C@H](N)C(=O)N[C@H](CCC(=O)n1c(C(N)=O)c(N)sc1=Nc1ccccc1)C(N)=O ZINC001218774560 1073357600 /nfs/dbraw/zinc/35/76/00/1073357600.db2.gz WGHKWNRREIQGJA-GXSJLCMTSA-N 0 3 433.494 -0.799 20 0 IBADHN Nc1ncn(C(=O)CNC(=O)c2ccc([O-])cc2)c(=NC[C@@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218777681 1073358929 /nfs/dbraw/zinc/35/89/29/1073358929.db2.gz QMJBPELWLUHZSX-GXTWGEPZSA-N 0 3 434.884 -0.234 20 0 IBADHN Nc1ncn(C(=O)CNC(=O)c2ccc([O-])cc2)c(=NC[C@@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218777701 1073358900 /nfs/dbraw/zinc/35/89/00/1073358900.db2.gz QMJBPELWLUHZSX-JSGCOSHPSA-N 0 3 434.884 -0.234 20 0 IBADHN Nc1ncn(C(=O)CNC(=O)c2ccc([O-])cc2)c(=NC[C@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218777706 1073358837 /nfs/dbraw/zinc/35/88/37/1073358837.db2.gz QMJBPELWLUHZSX-OCCSQVGLSA-N 0 3 434.884 -0.234 20 0 IBADHN Nc1ncn(C(=O)CNC(=O)c2ccc([O-])cc2)c(=NC[C@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218777710 1073358884 /nfs/dbraw/zinc/35/88/84/1073358884.db2.gz QMJBPELWLUHZSX-TZMCWYRMSA-N 0 3 434.884 -0.234 20 0 IBADHN CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)Nc1cnc2nccn2c1)C(=O)CF ZINC001218783207 1073361670 /nfs/dbraw/zinc/36/16/70/1073361670.db2.gz BPBMXOMODROHNW-RBOXIYTFSA-N 0 3 435.460 -0.431 20 0 IBADHN COC(=O)c1nc(Br)sc1NC(=O)CC[C@@H](NC(=O)[C@H](C)N)C(N)=O ZINC001218784406 1073362291 /nfs/dbraw/zinc/36/22/91/1073362291.db2.gz KAFYNZCLFWQRIK-NTSWFWBYSA-N 0 3 436.288 -0.272 20 0 IBADHN Nc1ncn(C(=O)c2cccc3c2[N-]C(=O)C3=O)c(=NC[C@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218785288 1073362660 /nfs/dbraw/zinc/36/26/60/1073362660.db2.gz SIXDECQQRKWSNC-BXKDBHETSA-N 0 3 430.852 -0.187 20 0 IBADHN Nc1ncn(C(=O)c2cccc3c2[N-]C(=O)C3=O)c(=NC[C@@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218785290 1073362759 /nfs/dbraw/zinc/36/27/59/1073362759.db2.gz SIXDECQQRKWSNC-CABZTGNLSA-N 0 3 430.852 -0.187 20 0 IBADHN Nc1ncn(C(=O)c2cccc3c2[N-]C(=O)C3=O)c(=NC[C@@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218785291 1073362622 /nfs/dbraw/zinc/36/26/22/1073362622.db2.gz SIXDECQQRKWSNC-JOYOIKCWSA-N 0 3 430.852 -0.187 20 0 IBADHN Nc1ncn(C(=O)c2cccc3c2[N-]C(=O)C3=O)c(=NC[C@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218785292 1073362676 /nfs/dbraw/zinc/36/26/76/1073362676.db2.gz SIXDECQQRKWSNC-SKDRFNHKSA-N 0 3 430.852 -0.187 20 0 IBADHN Nc1ncn(C(=O)c2ccccc2-c2nn[n-]n2)c(=NC[C@@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218786575 1073362921 /nfs/dbraw/zinc/36/29/21/1073362921.db2.gz JAXOAUBLWBMHFG-GWCFXTLKSA-N 0 3 429.872 -0.142 20 0 IBADHN Nc1ncn(C(=O)c2ccccc2-c2nnn[n-]2)c(=NC[C@@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218786575 1073362909 /nfs/dbraw/zinc/36/29/09/1073362909.db2.gz JAXOAUBLWBMHFG-GWCFXTLKSA-N 0 3 429.872 -0.142 20 0 IBADHN Nc1ncn(C(=O)c2ccccc2-c2nn[n-]n2)c(=NC[C@@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218786577 1073363122 /nfs/dbraw/zinc/36/31/22/1073363122.db2.gz JAXOAUBLWBMHFG-GXFFZTMASA-N 0 3 429.872 -0.142 20 0 IBADHN Nc1ncn(C(=O)c2ccccc2-c2nnn[n-]2)c(=NC[C@@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218786577 1073363117 /nfs/dbraw/zinc/36/31/17/1073363117.db2.gz JAXOAUBLWBMHFG-GXFFZTMASA-N 0 3 429.872 -0.142 20 0 IBADHN Nc1ncn(C(=O)c2ccccc2-c2nn[n-]n2)c(=NC[C@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218786580 1073363003 /nfs/dbraw/zinc/36/30/03/1073363003.db2.gz JAXOAUBLWBMHFG-MFKMUULPSA-N 0 3 429.872 -0.142 20 0 IBADHN Nc1ncn(C(=O)c2ccccc2-c2nnn[n-]2)c(=NC[C@H]2CC[NH2+]C[C@@H]2O)c1Cl ZINC001218786580 1073362994 /nfs/dbraw/zinc/36/29/94/1073362994.db2.gz JAXOAUBLWBMHFG-MFKMUULPSA-N 0 3 429.872 -0.142 20 0 IBADHN Nc1ncn(C(=O)c2ccccc2-c2nn[n-]n2)c(=NC[C@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218786583 1073362954 /nfs/dbraw/zinc/36/29/54/1073362954.db2.gz JAXOAUBLWBMHFG-ZWNOBZJWSA-N 0 3 429.872 -0.142 20 0 IBADHN Nc1ncn(C(=O)c2ccccc2-c2nnn[n-]2)c(=NC[C@H]2CC[NH2+]C[C@H]2O)c1Cl ZINC001218786583 1073362942 /nfs/dbraw/zinc/36/29/42/1073362942.db2.gz JAXOAUBLWBMHFG-ZWNOBZJWSA-N 0 3 429.872 -0.142 20 0 IBADHN CCc1c(NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)N)c(C(N)=O)nn1C ZINC001218788074 1073363669 /nfs/dbraw/zinc/36/36/69/1073363669.db2.gz KWBHDKGHROVLFW-YDHLFZDLSA-N 0 3 449.556 -0.111 20 0 IBADHN CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)Nc1ncccc1CCO)C(=O)CF ZINC001218792871 1073364203 /nfs/dbraw/zinc/36/42/03/1073364203.db2.gz QZBFXOLCXJSBJT-JDFRZJQESA-N 0 3 439.488 -0.544 20 0 IBADHN CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)Nc1cnn2c1OCCC2)C(=O)CF ZINC001218794170 1073364376 /nfs/dbraw/zinc/36/43/76/1073364376.db2.gz NJFHZBJANAUIHZ-MKBNYLNASA-N 0 3 440.476 -0.494 20 0 IBADHN C[C@H](N)C(=O)N[C@H](CCC(=O)N(C(C)(C)C)S(=O)(=O)c1cccc(N)c1)C(N)=O ZINC001218848947 1073364768 /nfs/dbraw/zinc/36/47/68/1073364768.db2.gz UJDFWMAOKTZBKR-SMDDNHRTSA-N 0 3 427.527 -0.318 20 0 IBADHN C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CN)C(=O)Nc1cc(F)ccc1N1CCN(C)CC1 ZINC001218859398 1073364690 /nfs/dbraw/zinc/36/46/90/1073364690.db2.gz CPDDUOPSRILDPW-KSSFIOAISA-N 0 3 434.516 -0.030 20 0 IBADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)Nc1ccc(S(=O)(=O)c2ccc(N)cc2)cc1 ZINC001218863751 1073364812 /nfs/dbraw/zinc/36/48/12/1073364812.db2.gz FZDOCFDTKIXFLI-ZBEGNZNMSA-N 0 3 433.490 -0.253 20 0 IBADHN C[C@H](N)C(=O)N[C@H](CCC(=O)N(c1ccccn1)S(=O)(=O)c1ccc(N)cc1)C(N)=O ZINC001218865008 1073364789 /nfs/dbraw/zinc/36/47/89/1073364789.db2.gz NFRKZLRUGJXUJU-SWLSCSKDSA-N 0 3 448.505 -0.517 20 0 IBADHN COC(=O)c1cc(Br)c(NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N)cc1OC ZINC001218865692 1073364746 /nfs/dbraw/zinc/36/47/46/1073364746.db2.gz KQGBUTPOOXXURI-CPCISQLKSA-N 0 3 445.270 -0.110 20 0 IBADHN C[C@H](NC(=O)[C@@H]1CCCN1C(=O)CN)C(=O)Nc1ccc(N2CCN(CCO)CC2)cc1 ZINC001218873090 1073365073 /nfs/dbraw/zinc/36/50/73/1073365073.db2.gz DXJMXGDRNARSIN-LPHOPBHVSA-N 0 3 446.552 -0.806 20 0 IBADHN COc1nccn(C(=O)c2[nH]nc3c2CNCC3)c1=NS(=O)(=O)c1ccc(N)cc1 ZINC001218874506 1073365138 /nfs/dbraw/zinc/36/51/38/1073365138.db2.gz DMCNIZBICZKZFF-UHFFFAOYSA-N 0 3 429.462 -0.179 20 0 IBADHN COc1nccn(C(=O)c2[nH]nc3c2CCNC3)c1=NS(=O)(=O)c1ccc(N)cc1 ZINC001218875308 1073365723 /nfs/dbraw/zinc/36/57/23/1073365723.db2.gz PCKVASWDXKPIAD-UHFFFAOYSA-N 0 3 429.462 -0.179 20 0 IBADHN NS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)c2cncc3c2CCNC3)cc1Cl ZINC001218875997 1073365969 /nfs/dbraw/zinc/36/59/69/1073365969.db2.gz ASLDBWMKJNUUGJ-UHFFFAOYSA-N 0 3 445.910 -0.072 20 0 IBADHN N[C@H](C(=O)Nc1cc(Cl)c(S(N)(=O)=O)cc1S(N)(=O)=O)C1CCC(O)CC1 ZINC001218876006 1073366134 /nfs/dbraw/zinc/36/61/34/1073366134.db2.gz BDDDTYFPJUMJEE-ROKYYSGWSA-N 0 3 440.931 -0.548 20 0 IBADHN N[C@H](C(=O)Nc1cc(Cl)c(S(N)(=O)=O)cc1S(N)(=O)=O)C1CCOCC1 ZINC001218876104 1073366000 /nfs/dbraw/zinc/36/60/00/1073366000.db2.gz DYZHYCKBTPLIHX-LBPRGKRZSA-N 0 3 426.904 -0.673 20 0 IBADHN COc1ccc(N(C(=O)[C@@H]2COC3(CNC3)CN2)S(=O)(=O)c2ccc(N)cc2)nn1 ZINC001218876882 1073366504 /nfs/dbraw/zinc/36/65/04/1073366504.db2.gz BRISIQNMJVLXNT-AWEZNQCLSA-N 0 3 434.478 -0.880 20 0 IBADHN COc1ccc(N(C(=O)[C@H]2COC3(CNC3)CN2)S(=O)(=O)c2ccc(N)cc2)nn1 ZINC001218876884 1073366443 /nfs/dbraw/zinc/36/64/43/1073366443.db2.gz BRISIQNMJVLXNT-CQSZACIVSA-N 0 3 434.478 -0.880 20 0 IBADHN NS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)c2n[nH]c3c2CNCC3)cc1Cl ZINC001218877216 1073366331 /nfs/dbraw/zinc/36/63/31/1073366331.db2.gz QJLPSLKXYZEGEU-UHFFFAOYSA-N 0 3 434.887 -0.744 20 0 IBADHN CO[C@@H]1CCN[C@@H](C(=O)Nc2cc(Cl)c(S(N)(=O)=O)cc2S(N)(=O)=O)C1 ZINC001218878109 1073366897 /nfs/dbraw/zinc/36/68/97/1073366897.db2.gz ZLZNJQIYEDYJJT-GMSGAONNSA-N 0 3 426.904 -0.660 20 0 IBADHN CO[C@H]1CCN[C@@H](C(=O)Nc2cc(Cl)c(S(N)(=O)=O)cc2S(N)(=O)=O)C1 ZINC001218878110 1073366779 /nfs/dbraw/zinc/36/67/79/1073366779.db2.gz ZLZNJQIYEDYJJT-OIBJUYFYSA-N 0 3 426.904 -0.660 20 0 IBADHN CO[C@@H]1CCN[C@H](C(=O)Nc2cc(Cl)c(S(N)(=O)=O)cc2S(N)(=O)=O)C1 ZINC001218878111 1073366853 /nfs/dbraw/zinc/36/68/53/1073366853.db2.gz ZLZNJQIYEDYJJT-XCBNKYQSSA-N 0 3 426.904 -0.660 20 0 IBADHN CO[C@H]1CCN[C@H](C(=O)Nc2cc(Cl)c(S(N)(=O)=O)cc2S(N)(=O)=O)C1 ZINC001218878112 1073366833 /nfs/dbraw/zinc/36/68/33/1073366833.db2.gz ZLZNJQIYEDYJJT-XVKPBYJWSA-N 0 3 426.904 -0.660 20 0 IBADHN N[C@H](Cc1cccc(O)c1)C(=O)Nc1cc(Cl)c(S(N)(=O)=O)cc1S(N)(=O)=O ZINC001218878618 1073367191 /nfs/dbraw/zinc/36/71/91/1073367191.db2.gz GEHMGRPDCXRUTD-LLVKDONJSA-N 0 3 448.910 -0.151 20 0 IBADHN N[C@@H](Cc1cccc(O)c1)C(=O)Nc1cc(Cl)c(S(N)(=O)=O)cc1S(N)(=O)=O ZINC001218878619 1073367042 /nfs/dbraw/zinc/36/70/42/1073367042.db2.gz GEHMGRPDCXRUTD-NSHDSACASA-N 0 3 448.910 -0.151 20 0 IBADHN NS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)[C@@H]2CNCc3ccnn3C2)cc1Cl ZINC001218879096 1073367255 /nfs/dbraw/zinc/36/72/55/1073367255.db2.gz NCNLVAJBWXPCQG-MRVPVSSYSA-N 0 3 448.914 -0.811 20 0 IBADHN NS(=O)(=O)c1cc(S(N)(=O)=O)c(NC(=O)[C@H]2CNCc3ccnn3C2)cc1Cl ZINC001218879097 1073367577 /nfs/dbraw/zinc/36/75/77/1073367577.db2.gz NCNLVAJBWXPCQG-QMMMGPOBSA-N 0 3 448.914 -0.811 20 0 IBADHN CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)Nc1ccc2c(c1)nnn2C)C(=O)CF ZINC001218881580 1073368067 /nfs/dbraw/zinc/36/80/67/1073368067.db2.gz XCBCCSWDBWGYJJ-MIUNTBIASA-N 0 3 449.487 -0.192 20 0 IBADHN CC(C)c1nccn1Cc1cccc(NC(=O)CNC(=O)CNC(=O)CNC(=O)CN)c1 ZINC001218883592 1073367902 /nfs/dbraw/zinc/36/79/02/1073367902.db2.gz NPERLNVFOAIXGV-UHFFFAOYSA-N 0 3 443.508 -0.699 20 0 IBADHN Nc1ccc(S(=O)(=O)N(C(=O)[C@H]2COC3(CNC3)CN2)c2ccc(Cl)nn2)cc1 ZINC001218884169 1073367875 /nfs/dbraw/zinc/36/78/75/1073367875.db2.gz FFOHKAXGCDZSNU-CYBMUJFWSA-N 0 3 438.897 -0.236 20 0 IBADHN Nc1ccc(S(=O)(=O)N(C(=O)[C@@H]2COC3(CNC3)CN2)c2ccc(Cl)nn2)cc1 ZINC001218884170 1073367859 /nfs/dbraw/zinc/36/78/59/1073367859.db2.gz FFOHKAXGCDZSNU-ZDUSSCGKSA-N 0 3 438.897 -0.236 20 0 IBADHN CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N)c1 ZINC001218884780 1073367935 /nfs/dbraw/zinc/36/79/35/1073367935.db2.gz NEGCRIIWZMCACB-FZMZJTMJSA-N 0 3 443.526 -0.628 20 0 IBADHN COc1cc(N(C(=O)[C@@H]2CNCCN2C)S(=O)(=O)c2ccc(N)cc2)nc(OC)n1 ZINC001218920265 1073368877 /nfs/dbraw/zinc/36/88/77/1073368877.db2.gz IGYDKWALEXKIFQ-AWEZNQCLSA-N 0 3 436.494 -0.299 20 0 IBADHN COc1cc(N(C(=O)[C@H]2CNCCN2C)S(=O)(=O)c2ccc(N)cc2)nc(OC)n1 ZINC001218920266 1073368733 /nfs/dbraw/zinc/36/87/33/1073368733.db2.gz IGYDKWALEXKIFQ-CQSZACIVSA-N 0 3 436.494 -0.299 20 0 IBADHN CC[C@@]1(c2ccc(NC(=O)CC[C@@H](NC(=O)[C@H](C)N)C(N)=O)cc2)CCC(=O)NC1=O ZINC001218949441 1073369348 /nfs/dbraw/zinc/36/93/48/1073369348.db2.gz IDRDQTNRMWTCCO-HUTJROTASA-N 0 3 431.493 -0.193 20 0 IBADHN CC[C@]1(c2ccc(NC(=O)CC[C@@H](NC(=O)[C@H](C)N)C(N)=O)cc2)CCC(=O)NC1=O ZINC001218949442 1073369453 /nfs/dbraw/zinc/36/94/53/1073369453.db2.gz IDRDQTNRMWTCCO-QURLWZIUSA-N 0 3 431.493 -0.193 20 0 IBADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)Nc1c(Cl)cc(S(N)(=O)=O)cc1Cl ZINC001218961474 1073369830 /nfs/dbraw/zinc/36/98/30/1073369830.db2.gz CCMFKZKDUWRDTB-CDUCUWFYSA-N 0 3 426.282 -0.713 20 0 IBADHN C[C@H](N)C(=O)N[C@H](CCC(=O)Nc1c(Cl)cc(S(N)(=O)=O)cc1Cl)C(N)=O ZINC001218961624 1073369677 /nfs/dbraw/zinc/36/96/77/1073369677.db2.gz GRZCUXRJBZQTRK-QUBYGPBYSA-N 0 3 440.309 -0.323 20 0 IBADHN COc1ncnc(N(C(=O)[C@@H]2CNCCN2C)S(=O)(=O)c2ccc(N)cc2)c1OC ZINC001218962277 1073369719 /nfs/dbraw/zinc/36/97/19/1073369719.db2.gz HOLHIZSQBFHZEH-AWEZNQCLSA-N 0 3 436.494 -0.299 20 0 IBADHN COc1ncnc(N(C(=O)[C@H]2CNCCN2C)S(=O)(=O)c2ccc(N)cc2)c1OC ZINC001218962278 1073369799 /nfs/dbraw/zinc/36/97/99/1073369799.db2.gz HOLHIZSQBFHZEH-CQSZACIVSA-N 0 3 436.494 -0.299 20 0 IBADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)Nc1ccc(CS(=O)(=O)N2CCCC2)cc1 ZINC001218982052 1073370071 /nfs/dbraw/zinc/37/00/71/1073370071.db2.gz STYVRDTWZKESOX-WFASDCNBSA-N 0 3 425.511 -0.742 20 0 IBADHN C[C@H](N)C(=O)N[C@H](CCC(=O)Nc1ccc(CS(=O)(=O)N2CCCC2)cc1)C(N)=O ZINC001218982061 1073370214 /nfs/dbraw/zinc/37/02/14/1073370214.db2.gz SXMLBWQRZPSKRA-XJKSGUPXSA-N 0 3 439.538 -0.352 20 0 IBADHN CN(C(=O)CN1CCN(C)CC1)c1ccc(NC(=O)[C@H]2CCS(=O)(=O)C23CNC3)cc1 ZINC001218986425 1073370030 /nfs/dbraw/zinc/37/00/30/1073370030.db2.gz DZZOSOQIKLIAMD-GOSISDBHSA-N 0 3 449.577 -0.388 20 0 IBADHN CN(C(=O)CN1CCN(C)CC1)c1ccc(NC(=O)[C@@H]2CCS(=O)(=O)C23CNC3)cc1 ZINC001218986426 1073370114 /nfs/dbraw/zinc/37/01/14/1073370114.db2.gz DZZOSOQIKLIAMD-SFHVURJKSA-N 0 3 449.577 -0.388 20 0 IBADHN CC(=O)NCSC[C@H](N)C(=O)Nc1ccc(N(C)C(=O)CN2CCN(C)CC2)cc1 ZINC001218989769 1073370506 /nfs/dbraw/zinc/37/05/06/1073370506.db2.gz YICVPOBBEMTGAY-SFHVURJKSA-N 0 3 436.582 -0.011 20 0 IBADHN COc1ccc(Br)c(NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N)c1C(N)=O ZINC001219078138 1073370492 /nfs/dbraw/zinc/37/04/92/1073370492.db2.gz ABKWCDZFNIGNNM-XPUUQOCRSA-N 0 3 430.259 -0.798 20 0 IBADHN COc1ccc(Br)c(NC(=O)CC[C@@H](NC(=O)[C@H](C)N)C(N)=O)c1C(N)=O ZINC001219079290 1073370580 /nfs/dbraw/zinc/37/05/80/1073370580.db2.gz XWFUFMHBCGYLQT-IONNQARKSA-N 0 3 444.286 -0.407 20 0 IBADHN COC(=O)c1cc(NC(=O)CC[C@@H](NC(=O)[C@H](C)N)C(N)=O)c(OC)c(OC(C)=O)c1 ZINC001219166000 1073371155 /nfs/dbraw/zinc/37/11/55/1073371155.db2.gz NHTMIKQPDFXRRQ-JOYOIKCWSA-N 0 3 438.437 -0.557 20 0 IBADHN COC(=O)c1ccc(N2CCOCC2)cc1NC(=O)CC[C@@H](NC(=O)[C@H](C)N)C(N)=O ZINC001219170713 1073371081 /nfs/dbraw/zinc/37/10/81/1073371081.db2.gz WWAZTDKXYWBIIE-SWLSCSKDSA-N 0 3 435.481 -0.654 20 0 IBADHN COc1cc(N2CCN(C(C)=O)CC2)ccc1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N ZINC001219180177 1073371168 /nfs/dbraw/zinc/37/11/68/1073371168.db2.gz PGYTUERWWLWKNJ-LRDDRELGSA-N 0 3 434.497 -0.990 20 0 IBADHN COc1cc(N2CCN(C(C)=O)CC2)ccc1NC(=O)CC[C@@H](NC(=O)[C@H](C)N)C(N)=O ZINC001219180587 1073370889 /nfs/dbraw/zinc/37/08/89/1073370889.db2.gz ZRWNGINUEPLLFG-SUMWQHHRSA-N 0 3 448.524 -0.600 20 0 IBADHN COC(=O)c1cc(NC(=O)CC[C@@H](NC(=O)[C@H](C)N)C(N)=O)c(NC(C)=O)cc1OC ZINC001219225859 1073370868 /nfs/dbraw/zinc/37/08/68/1073370868.db2.gz ORAXXJILXHLGDM-JOYOIKCWSA-N 0 3 437.453 -0.524 20 0 IBADHN COc1cc2ccn(C(=O)CN(C)C)c2cc1NC(=O)CC[C@@H](NC(=O)[C@H](C)N)C(N)=O ZINC001219261958 1073371558 /nfs/dbraw/zinc/37/15/58/1073371558.db2.gz GVUUBMLOZISGQG-GXTWGEPZSA-N 0 3 446.508 -0.112 20 0 IBADHN COc1cc2ccn(C(=O)CN(C)C)c2cc1NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N ZINC001219262170 1073371537 /nfs/dbraw/zinc/37/15/37/1073371537.db2.gz NQCOPTUUSNCMQY-FZMZJTMJSA-N 0 3 432.481 -0.502 20 0 IBADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)Nc1ccc(Br)cc1C(=O)N(C)C ZINC001219278712 1073371414 /nfs/dbraw/zinc/37/14/14/1073371414.db2.gz UISQYFPTTBLCAY-UFBFGSQYSA-N 0 3 428.287 -0.203 20 0 IBADHN Nc1ccc(S(=O)(=O)N(C(=O)[C@H]2COC3(CNC3)CN2)c2cncc(Cl)n2)cc1 ZINC001219376917 1073371889 /nfs/dbraw/zinc/37/18/89/1073371889.db2.gz AGHNYMJLIGFPHZ-CYBMUJFWSA-N 0 3 438.897 -0.236 20 0 IBADHN Nc1ccc(S(=O)(=O)N(C(=O)[C@@H]2COC3(CNC3)CN2)c2cncc(Cl)n2)cc1 ZINC001219376925 1073372046 /nfs/dbraw/zinc/37/20/46/1073372046.db2.gz AGHNYMJLIGFPHZ-ZDUSSCGKSA-N 0 3 438.897 -0.236 20 0 IBADHN C[C@H](N)C(=O)N[C@H](CCC(=O)Nc1ccc(Br)c2c1C(=O)NC2)C(N)=O ZINC001219446673 1073372505 /nfs/dbraw/zinc/37/25/05/1073372505.db2.gz UJPLQJUGAMWBQR-WRWORJQWSA-N 0 3 426.271 -0.272 20 0 IBADHN Nc1ccc(S(=O)(=O)N=c2cncc(Cl)n2C(=O)[C@H]2COC3(CNC3)CN2)cc1 ZINC001219468228 1073372471 /nfs/dbraw/zinc/37/24/71/1073372471.db2.gz YDSUYDDOWCJMTK-CYBMUJFWSA-N 0 3 438.897 -0.621 20 0 IBADHN Nc1ccc(S(=O)(=O)N=c2cncc(Cl)n2C(=O)[C@@H]2COC3(CNC3)CN2)cc1 ZINC001219468229 1073372249 /nfs/dbraw/zinc/37/22/49/1073372249.db2.gz YDSUYDDOWCJMTK-ZDUSSCGKSA-N 0 3 438.897 -0.621 20 0 IBADHN C[C@H](N)C(=O)N[C@H](CCC(=O)NCc1cccc(OCCN2CCOCC2)c1)C(N)=O ZINC001219568101 1073373010 /nfs/dbraw/zinc/37/30/10/1073373010.db2.gz ZNYULLDTNKGLCN-MAUKXSAKSA-N 0 3 435.525 -0.889 20 0 IBADHN CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCN1CCCCC1=O ZINC001219569459 1073372897 /nfs/dbraw/zinc/37/28/97/1073372897.db2.gz QLMDQEKOKJQVAZ-RXVVDRJESA-N 0 3 445.564 -0.058 20 0 IBADHN CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NCCN1CCCCC1=O)C(=O)CF ZINC001219569476 1073372933 /nfs/dbraw/zinc/37/29/33/1073372933.db2.gz QXCFAFUZNNLTGL-DEYYWGMASA-N 0 3 443.520 -0.983 20 0 IBADHN CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)C(=O)NCCC(=O)N1CCOCC1 ZINC001219573783 1073373498 /nfs/dbraw/zinc/37/34/98/1073373498.db2.gz VVRYAPZUQIJIQF-ULQDDVLXSA-N 0 3 439.557 -0.779 20 0 IBADHN O=C(N[C@H](CO)[C@H](O)c1ccc(Br)cc1)[C@@H]1CCS(=O)(=O)C12CNC2 ZINC001219580056 1073373333 /nfs/dbraw/zinc/37/33/33/1073373333.db2.gz JFGAMNDBLWAROB-BFHYXJOUSA-N 0 3 433.324 -0.264 20 0 IBADHN O=C(N[C@H](CO)[C@@H](O)c1ccc(Br)cc1)[C@H]1CCS(=O)(=O)C12CNC2 ZINC001219580057 1073373250 /nfs/dbraw/zinc/37/32/50/1073373250.db2.gz JFGAMNDBLWAROB-MCIONIFRSA-N 0 3 433.324 -0.264 20 0 IBADHN O=C(N[C@H](CO)[C@H](O)c1ccc(Br)cc1)[C@H]1CCS(=O)(=O)C12CNC2 ZINC001219580058 1073373218 /nfs/dbraw/zinc/37/32/18/1073373218.db2.gz JFGAMNDBLWAROB-MGPQQGTHSA-N 0 3 433.324 -0.264 20 0 IBADHN O=C(N[C@H](CO)[C@@H](O)c1ccc(Br)cc1)[C@@H]1CCS(=O)(=O)C12CNC2 ZINC001219580059 1073373430 /nfs/dbraw/zinc/37/34/30/1073373430.db2.gz JFGAMNDBLWAROB-MJBXVCDLSA-N 0 3 433.324 -0.264 20 0 IBADHN Cc1cc(C)n(CCNC(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)C(C)C)C(=O)CF)n1 ZINC001219595521 1073373406 /nfs/dbraw/zinc/37/34/06/1073373406.db2.gz DNBWOPKYVFSWGH-MPGHIAIKSA-N 0 3 440.520 -0.482 20 0 IBADHN Cc1ncc(CNC(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)C(C)C)C(=O)CF)s1 ZINC001219595777 1073373476 /nfs/dbraw/zinc/37/34/76/1073373476.db2.gz PCDLFSITZHKJNO-NKFCBESUSA-N 0 3 429.518 -0.031 20 0 IBADHN Cc1cnc(CCNC(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)C(C)C)C(=O)CF)nc1 ZINC001219601095 1073373277 /nfs/dbraw/zinc/37/32/77/1073373277.db2.gz OGWHHIIVIDVIFW-DEYYWGMASA-N 0 3 438.504 -0.655 20 0 IBADHN CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NC[C@@H](O)c1ccco1)C(=O)CF ZINC001219604763 1073373354 /nfs/dbraw/zinc/37/33/54/1073373354.db2.gz YXZVMQFLSWJQGZ-DIGLBZAJSA-N 0 3 428.461 -0.669 20 0 IBADHN CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NC[C@H](O)c1ccco1)C(=O)CF ZINC001219604764 1073373236 /nfs/dbraw/zinc/37/32/36/1073373236.db2.gz YXZVMQFLSWJQGZ-GWIFVGGISA-N 0 3 428.461 -0.669 20 0 IBADHN Cc1ccc(S(=O)(=O)n2cnc(C[C@@H](N)C(=O)NC[C@]3(O)CCNC[C@@H]3F)c2)cc1 ZINC001219616075 1073373914 /nfs/dbraw/zinc/37/39/14/1073373914.db2.gz NVSHZERPHAEIAQ-ZIFCJYIRSA-N 0 3 439.513 -0.523 20 0 IBADHN CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCN1CCCCO1 ZINC001219632996 1073373721 /nfs/dbraw/zinc/37/37/21/1073373721.db2.gz VMGBEVOCXBLLCG-ICSRJNTNSA-N 0 3 433.553 -0.043 20 0 IBADHN CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NCCN1CCCCO1)C(=O)CF ZINC001219633213 1073373958 /nfs/dbraw/zinc/37/39/58/1073373958.db2.gz ZIPRYVGRQAXXIG-ZQIUZPCESA-N 0 3 431.509 -0.969 20 0 IBADHN CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCc1cn(C)cn1 ZINC001219634088 1073373786 /nfs/dbraw/zinc/37/37/86/1073373786.db2.gz NCJWZLDLKFDJSB-ICSRJNTNSA-N 0 3 428.537 -0.094 20 0 IBADHN CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC001219671234 1073374487 /nfs/dbraw/zinc/37/44/87/1073374487.db2.gz DBKJNXDWFZNZPF-BQFCYCMXSA-N 0 3 438.550 -0.883 20 0 IBADHN CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC001219671235 1073374446 /nfs/dbraw/zinc/37/44/46/1073374446.db2.gz DBKJNXDWFZNZPF-RYRKJORJSA-N 0 3 438.550 -0.883 20 0 IBADHN N[C@@H](Cc1ccc(Br)s1)C(=O)NCCS(=O)(=O)N1CCNCC1 ZINC001219676441 1073374340 /nfs/dbraw/zinc/37/43/40/1073374340.db2.gz KOIIZFIEPCFKFA-NSHDSACASA-N 0 3 425.374 -0.268 20 0 IBADHN [NH3+][C@@H](CCc1cc(=O)oc2cc([O-])ccc12)C(=O)NCCS(=O)(=O)N1CCNCC1 ZINC001219678249 1073375138 /nfs/dbraw/zinc/37/51/38/1073375138.db2.gz ILAPLXNZOLQYIJ-INIZCTEOSA-N 0 3 438.506 -0.890 20 0 IBADHN CC1(C)OCc2cc(C[C@H](N)C(=O)NCCS(=O)(=O)N3CCNCC3)ccc2O1 ZINC001219678257 1073375062 /nfs/dbraw/zinc/37/50/62/1073375062.db2.gz IMWMUSSWNPQLNY-INIZCTEOSA-N 0 3 426.539 -0.447 20 0 IBADHN CC(C)(C)OC(=O)c1ccc(C[C@H](N)C(=O)NCCS(=O)(=O)N2CCNCC2)cc1 ZINC001219678276 1073374844 /nfs/dbraw/zinc/37/48/44/1073374844.db2.gz JFUVRVWFVJKOSB-KRWDZBQOSA-N 0 3 440.566 -0.137 20 0 IBADHN COc1ccc2c(C[C@H](N)C(=O)NCCS(=O)(=O)N3CCNCC3)cc(=O)oc2c1 ZINC001219678443 1073375009 /nfs/dbraw/zinc/37/50/09/1073375009.db2.gz OIRLIEHDQLBEPP-INIZCTEOSA-N 0 3 438.506 -0.977 20 0 IBADHN CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCC(=O)N(C)C1CC1 ZINC001219693116 1073376074 /nfs/dbraw/zinc/37/60/74/1073376074.db2.gz OJMBWTYKOMWUED-RXVVDRJESA-N 0 3 445.564 -0.060 20 0 IBADHN CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NCCC(=O)N(C)C1CC1)C(=O)CF ZINC001219693387 1073376112 /nfs/dbraw/zinc/37/61/12/1073376112.db2.gz VFJIDJHFBBRHAW-YEWDVWPNSA-N 0 3 443.520 -0.985 20 0 IBADHN CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NC[C@H]1CN(C)CCO1 ZINC001219694225 1073376150 /nfs/dbraw/zinc/37/61/50/1073376150.db2.gz HFXUDHMUHSOZPD-BJLQDIEVSA-N 0 3 433.553 -0.740 20 0 IBADHN CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NC[C@@H]1CN(C)CCO1 ZINC001219694226 1073375812 /nfs/dbraw/zinc/37/58/12/1073375812.db2.gz HFXUDHMUHSOZPD-HBFSDRIKSA-N 0 3 433.553 -0.740 20 0 IBADHN CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)n1cc(F)c(=O)nc1N ZINC001219741606 1073376755 /nfs/dbraw/zinc/37/67/55/1073376755.db2.gz OVPMPKJBJDMOGK-HOCLYGCPSA-N 0 3 432.456 -0.326 20 0 IBADHN N[C@@H](CCCCNC(=O)c1ccccn1)C(=O)NCc1cc(=O)n2c(n1)CNCCC2 ZINC001219802880 1073377832 /nfs/dbraw/zinc/37/78/32/1073377832.db2.gz FGAAQGFFFDBMEI-INIZCTEOSA-N 0 3 427.509 -0.325 20 0 IBADHN NCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCc1cc(=O)n2c(n1)CNCCC2 ZINC001219808091 1073378197 /nfs/dbraw/zinc/37/81/97/1073378197.db2.gz TZYRLGKRHMGMPI-SFHVURJKSA-N 0 3 437.504 -0.480 20 0 IBADHN CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCSC)C(=O)NCc1cc(=O)n2c(n1)CNCCC2 ZINC001219808211 1073378133 /nfs/dbraw/zinc/37/81/33/1073378133.db2.gz XRXKVMZHIJUBID-YEWWUXTCSA-N 0 3 438.598 -0.036 20 0 IBADHN CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)C(=O)NCc1noc2c1CNCC2 ZINC001219810771 1073378176 /nfs/dbraw/zinc/37/81/76/1073378176.db2.gz CPEJFEWNXUYGRW-QRTARXTBSA-N 0 3 434.541 -0.194 20 0 IBADHN CN(C)C(=O)N1CCC2(CC1)O[C@H](C(=O)N[C@H]1CC[C@@H]3NCCO[C@@H]13)Cn1ccnc12 ZINC001219847791 1073379327 /nfs/dbraw/zinc/37/93/27/1073379327.db2.gz SHSNUWMMAHKRHX-LUKYLMHMSA-N 0 3 432.525 -0.110 20 0 IBADHN CN(C)C(=O)N1CCC2(CC1)O[C@@H](C(=O)N[C@H]1CC[C@@H]3NCCO[C@@H]13)Cn1ccnc12 ZINC001219847792 1073379504 /nfs/dbraw/zinc/37/95/04/1073379504.db2.gz SHSNUWMMAHKRHX-MWDXBVQZSA-N 0 3 432.525 -0.110 20 0 IBADHN CCN1CCN(C(=O)N[C@@H](C(=O)N[C@H]2CC[C@@H]3NCCO[C@@H]23)c2ccccc2)C(=O)C1=O ZINC001219848576 1073379360 /nfs/dbraw/zinc/37/93/60/1073379360.db2.gz ZIEDXIYYBSIKQY-WNRNVDISSA-N 0 3 443.504 -0.236 20 0 IBADHN CS(=O)(=O)N1CC[C@H](c2nnc3ccc(C(=O)N[C@H]4CC[C@@H]5NCCO[C@@H]45)cn32)C1 ZINC001219850688 1073379853 /nfs/dbraw/zinc/37/98/53/1073379853.db2.gz ZVFIDJOIXQQOFE-NZUILWFCSA-N 0 3 434.522 -0.273 20 0 IBADHN CS(=O)(=O)N1CC[C@@H](c2nnc3ccc(C(=O)N[C@H]4CC[C@@H]5NCCO[C@@H]45)cn32)C1 ZINC001219850689 1073379913 /nfs/dbraw/zinc/37/99/13/1073379913.db2.gz ZVFIDJOIXQQOFE-VWNJHIHFSA-N 0 3 434.522 -0.273 20 0 IBADHN CC(C)OC(=O)[C@H](C)NC(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)C(C)C)C(=O)CF ZINC001219880531 1073380504 /nfs/dbraw/zinc/38/05/04/1073380504.db2.gz CSYPQGCTJYLFPY-QCQGSNGOSA-N 0 3 432.493 -0.656 20 0 IBADHN CCOC(=O)CC(=N)NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](N)C(C)C ZINC001219883255 1073380345 /nfs/dbraw/zinc/38/03/45/1073380345.db2.gz SQLJDQYQGFWFQZ-KXBFYZLASA-N 0 3 433.509 -0.140 20 0 IBADHN CC(=O)N1C[C@@H]2C[C@]2(NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](N)C(C)C)C1 ZINC001219889799 1073380487 /nfs/dbraw/zinc/38/04/87/1073380487.db2.gz BIVJNXFBKYXCFJ-JPPTWICTSA-N 0 3 443.548 -0.450 20 0 IBADHN CC(=O)N1C[C@H]2C[C@@]2(NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](N)C(C)C)C1 ZINC001219889802 1073380522 /nfs/dbraw/zinc/38/05/22/1073380522.db2.gz BIVJNXFBKYXCFJ-ZYRMUBPZSA-N 0 3 443.548 -0.450 20 0 IBADHN O=C(N[C@H]1CCc2c(ccc(=O)n2CCn2cccn2)C1)[C@H]1CCS(=O)(=O)C12CNC2 ZINC001219893580 1073380443 /nfs/dbraw/zinc/38/04/43/1073380443.db2.gz PMOUQZANZVTKJX-DLBZAZTESA-N 0 3 445.545 -0.505 20 0 IBADHN O=C(N[C@@H]1CCc2c(ccc(=O)n2CCn2cccn2)C1)[C@H]1CCS(=O)(=O)C12CNC2 ZINC001219893581 1073380460 /nfs/dbraw/zinc/38/04/60/1073380460.db2.gz PMOUQZANZVTKJX-IAGOWNOFSA-N 0 3 445.545 -0.505 20 0 IBADHN O=C(N[C@H]1CCc2c(ccc(=O)n2CCn2cccn2)C1)[C@@H]1CCS(=O)(=O)C12CNC2 ZINC001219893582 1073380533 /nfs/dbraw/zinc/38/05/33/1073380533.db2.gz PMOUQZANZVTKJX-IRXDYDNUSA-N 0 3 445.545 -0.505 20 0 IBADHN O=C(N[C@@H]1CCc2c(ccc(=O)n2CCn2cccn2)C1)[C@@H]1CCS(=O)(=O)C12CNC2 ZINC001219893583 1073380423 /nfs/dbraw/zinc/38/04/23/1073380423.db2.gz PMOUQZANZVTKJX-SJORKVTESA-N 0 3 445.545 -0.505 20 0 IBADHN O=C(NC[C@@H]1Cn2nnc(-c3cccc(F)c3)c2CO1)[C@@H]1CCS(=O)(=O)C12CNC2 ZINC001219898694 1073381373 /nfs/dbraw/zinc/38/13/73/1073381373.db2.gz NTGISUHOHDWRNR-CABCVRRESA-N 0 3 435.481 -0.124 20 0 IBADHN O=C(NC[C@H]1Cn2nnc(-c3cccc(F)c3)c2CO1)[C@@H]1CCS(=O)(=O)C12CNC2 ZINC001219898695 1073381291 /nfs/dbraw/zinc/38/12/91/1073381291.db2.gz NTGISUHOHDWRNR-GJZGRUSLSA-N 0 3 435.481 -0.124 20 0 IBADHN O=C(NC[C@@H]1Cn2nnc(-c3cccc(F)c3)c2CO1)[C@H]1CCS(=O)(=O)C12CNC2 ZINC001219898696 1073381409 /nfs/dbraw/zinc/38/14/09/1073381409.db2.gz NTGISUHOHDWRNR-HUUCEWRRSA-N 0 3 435.481 -0.124 20 0 IBADHN O=C(NC[C@H]1Cn2nnc(-c3cccc(F)c3)c2CO1)[C@H]1CCS(=O)(=O)C12CNC2 ZINC001219898697 1073381255 /nfs/dbraw/zinc/38/12/55/1073381255.db2.gz NTGISUHOHDWRNR-LSDHHAIUSA-N 0 3 435.481 -0.124 20 0 IBADHN COCCn1c(=O)ccc2c1CC[C@H](NC(=O)[C@@H](N)CCCNC(=O)c1cnccn1)C2 ZINC001219899311 1073381359 /nfs/dbraw/zinc/38/13/59/1073381359.db2.gz UPYCVFBZRDLVCU-IRXDYDNUSA-N 0 3 442.520 -0.204 20 0 IBADHN COCCn1c(=O)ccc2c1CC[C@@H](NC(=O)[C@@H](N)CCCNC(=O)c1cnccn1)C2 ZINC001219899312 1073381304 /nfs/dbraw/zinc/38/13/04/1073381304.db2.gz UPYCVFBZRDLVCU-SJORKVTESA-N 0 3 442.520 -0.204 20 0 IBADHN C[C@H](N)C(=O)N[C@H](CCC(=O)NC[C@@H]1Cn2nnc(-c3cccc(F)c3)c2CO1)C(N)=O ZINC001219901857 1073381242 /nfs/dbraw/zinc/38/12/42/1073381242.db2.gz SPFGMYURZDJUMC-NILFDRSVSA-N 0 3 447.471 -0.803 20 0 IBADHN C[C@H](N)C(=O)N[C@H](CCC(=O)NC[C@H]1Cn2nnc(-c3cccc(F)c3)c2CO1)C(N)=O ZINC001219901858 1073381326 /nfs/dbraw/zinc/38/13/26/1073381326.db2.gz SPFGMYURZDJUMC-TUKIKUTGSA-N 0 3 447.471 -0.803 20 0 IBADHN Cc1nccn1CCNC(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)C(C)C)C(=O)CF ZINC001219934754 1073381822 /nfs/dbraw/zinc/38/18/22/1073381822.db2.gz LCLFPJMDWNIQEB-JDFRZJQESA-N 0 3 426.493 -0.791 20 0 IBADHN CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)C(=O)NCCNC(=O)c1ccncc1 ZINC001219939036 1073381741 /nfs/dbraw/zinc/38/17/41/1073381741.db2.gz PDNXGZWGDMDMSP-SZMVWBNQSA-N 0 3 446.552 -0.203 20 0 IBADHN N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)NCC1(N2CCOCC2)CCCCC1 ZINC001219940834 1073381920 /nfs/dbraw/zinc/38/19/20/1073381920.db2.gz GPZUYRCZWJBPDT-PMACEKPBSA-N 0 3 448.564 -0.110 20 0 IBADHN CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1C=CS(=O)(=O)C1 ZINC001219945634 1073381856 /nfs/dbraw/zinc/38/18/56/1073381856.db2.gz OVOKHRBRGZFZIS-BQFCYCMXSA-N 0 3 436.534 -0.760 20 0 IBADHN CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]1C=CS(=O)(=O)C1 ZINC001219945635 1073381925 /nfs/dbraw/zinc/38/19/25/1073381925.db2.gz OVOKHRBRGZFZIS-RYRKJORJSA-N 0 3 436.534 -0.760 20 0 IBADHN Cc1c[nH]c(CCNC(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)C(C)C)C(=O)CF)n1 ZINC001219952356 1073381785 /nfs/dbraw/zinc/38/17/85/1073381785.db2.gz UHMGFYQQPGHESV-DCGLDWPTSA-N 0 3 426.493 -0.722 20 0 IBADHN CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCCc1c[nH][nH]c1=O ZINC001219969816 1073382347 /nfs/dbraw/zinc/38/23/47/1073382347.db2.gz NOJOTICJUOGJFL-AOIWGVFYSA-N 0 3 444.536 -0.558 20 0 IBADHN CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCCc1c[nH][nH]c1=O ZINC001219969817 1073382478 /nfs/dbraw/zinc/38/24/78/1073382478.db2.gz NOJOTICJUOGJFL-LNLFQRSKSA-N 0 3 444.536 -0.558 20 0 IBADHN CCn1c(N)c(NC(=O)[C@@H](N)CCCCNC(=O)c2ccccn2)c(=O)n(CC)c1=O ZINC001219972613 1073382761 /nfs/dbraw/zinc/38/27/61/1073382761.db2.gz SBOJWJKFJUMOJS-ZDUSSCGKSA-N 0 3 431.497 -0.107 20 0 IBADHN CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCC(=O)NC1CCCC1 ZINC001219976373 1073382730 /nfs/dbraw/zinc/38/27/30/1073382730.db2.gz INRDJKFBJADVIE-RXVVDRJESA-N 0 3 445.564 -0.012 20 0 IBADHN CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NCC(=O)NC1CCCC1)C(=O)CF ZINC001219977185 1073382850 /nfs/dbraw/zinc/38/28/50/1073382850.db2.gz UJRTYAXCIXZIIK-YEWDVWPNSA-N 0 3 443.520 -0.937 20 0 IBADHN CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]1CCC(=O)N(C)C1 ZINC001220006839 1073383341 /nfs/dbraw/zinc/38/33/41/1073383341.db2.gz DKIHIGKMSRUEHP-UWVAXJGDSA-N 0 3 431.537 -0.450 20 0 IBADHN CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCC(=O)N(C)C1 ZINC001220006840 1073383146 /nfs/dbraw/zinc/38/31/46/1073383146.db2.gz DKIHIGKMSRUEHP-ZWOKBUDYSA-N 0 3 431.537 -0.450 20 0 IBADHN CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NC1(CO)CCOCC1 ZINC001220018653 1073383226 /nfs/dbraw/zinc/38/32/26/1073383226.db2.gz MFQJWQWVZDEGOV-HKUYNNGSSA-N 0 3 434.537 -0.529 20 0 IBADHN CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@](C)(C(N)=O)C(C)C ZINC001220023473 1073383196 /nfs/dbraw/zinc/38/31/96/1073383196.db2.gz ZPZVIDFOSXVXNL-SGXKBVARSA-N 0 3 433.553 -0.170 20 0 IBADHN CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@](C)(C(N)=O)C(C)C ZINC001220023474 1073383515 /nfs/dbraw/zinc/38/35/15/1073383515.db2.gz ZPZVIDFOSXVXNL-ZJBJCVSYSA-N 0 3 433.553 -0.170 20 0 IBADHN CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NCc1ccncc1F)C(=O)CF ZINC001220037647 1073383500 /nfs/dbraw/zinc/38/35/00/1073383500.db2.gz ISBIAKCAKDPNQO-YLVFBTJISA-N 0 3 427.452 -0.262 20 0 IBADHN COc1ccc(C[C@@H](C)NC(=O)[C@@H]2COC(C)(C)N2C(=O)[C@H](C)N)cc1S(N)(=O)=O ZINC001220041520 1073383739 /nfs/dbraw/zinc/38/37/39/1073383739.db2.gz PCQCPQOLRLIKOS-DYEKYZERSA-N 0 3 442.538 -0.300 20 0 IBADHN COc1ccc(C[C@@H](C)NC(=O)[C@H]2CCS(=O)(=O)C23CNC3)cc1S(N)(=O)=O ZINC001220041632 1073383536 /nfs/dbraw/zinc/38/35/36/1073383536.db2.gz UNMXESWKRFJPAR-DGCLKSJQSA-N 0 3 431.536 -0.834 20 0 IBADHN COc1ccc(C[C@@H](C)NC(=O)[C@@H]2CCS(=O)(=O)C23CNC3)cc1S(N)(=O)=O ZINC001220041633 1073383603 /nfs/dbraw/zinc/38/36/03/1073383603.db2.gz UNMXESWKRFJPAR-YPMHNXCESA-N 0 3 431.536 -0.834 20 0 IBADHN COC(=O)CCCCCNC(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)C(C)C)C(=O)CF ZINC001220048263 1073384069 /nfs/dbraw/zinc/38/40/69/1073384069.db2.gz LTXCRVXMLYZJJH-DEYYWGMASA-N 0 3 446.520 -0.263 20 0 IBADHN COC(=O)C1(NC(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)C(C)C)C(=O)CF)CCCC1 ZINC001220048914 1073384300 /nfs/dbraw/zinc/38/43/00/1073384300.db2.gz WRKKABBYVJZZBL-XEZPLFJOSA-N 0 3 444.504 -0.510 20 0 IBADHN CCCCOC(=O)[C@H](C)NC(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)C(C)C)C(=O)CF ZINC001220049461 1073384170 /nfs/dbraw/zinc/38/41/70/1073384170.db2.gz JGBPEIASMVSVOJ-WSMBLCCSSA-N 0 3 446.520 -0.264 20 0 IBADHN CCOC(=O)C(C)(C)NC(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)C(C)C)C(=O)CF ZINC001220064069 1073384256 /nfs/dbraw/zinc/38/42/56/1073384256.db2.gz PBXOMODQESZGMG-HUBLWGQQSA-N 0 3 432.493 -0.654 20 0 IBADHN Cc1nc(N)ccc1CNC(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)C(C)C)C(=O)CF ZINC001220071737 1073384032 /nfs/dbraw/zinc/38/40/32/1073384032.db2.gz OWSASURCQIEZAB-YEWDVWPNSA-N 0 3 438.504 -0.510 20 0 IBADHN C[C@H](N)C(=O)N[C@@H](C)C(=O)NC[C@H]1CN(c2ccc(N3CCOCC3)c(F)c2)C(=O)O1 ZINC001220103132 1073384543 /nfs/dbraw/zinc/38/45/43/1073384543.db2.gz HNNSVSLYJMJTKA-YDHLFZDLSA-N 0 3 437.472 -0.044 20 0 IBADHN O=C(NC[C@H]1CN(c2ccc(N3CCOCC3)c(F)c2)C(=O)O1)[C@H]1COC2(CNC2)CN1 ZINC001220103212 1073384705 /nfs/dbraw/zinc/38/47/05/1073384705.db2.gz KLWAZWZHSIBLCW-DOTOQJQBSA-N 0 3 449.483 -0.566 20 0 IBADHN O=C(NC[C@H]1CN(c2ccc(N3CCOCC3)c(F)c2)C(=O)O1)[C@@H]1COC2(CNC2)CN1 ZINC001220103213 1073384664 /nfs/dbraw/zinc/38/46/64/1073384664.db2.gz KLWAZWZHSIBLCW-RDJZCZTQSA-N 0 3 449.483 -0.566 20 0 IBADHN CCOC(=O)c1ccc(C)c(N(C(=N)N)C(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)CN)c1 ZINC001220120514 1073385279 /nfs/dbraw/zinc/38/52/79/1073385279.db2.gz FWFUVAWQKLLUSH-ZFWWWQNUSA-N 0 3 446.508 -0.147 20 0 IBADHN Cc1cnc(=O)[nH]c1NC(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)C(C)C)C(=O)CF ZINC001220122906 1073385196 /nfs/dbraw/zinc/38/51/96/1073385196.db2.gz OIAWLYWYOYZZAX-MJVIPROJSA-N 0 3 426.449 -0.669 20 0 IBADHN CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NCc1cccc(F)n1)C(=O)CF ZINC001220125095 1073385039 /nfs/dbraw/zinc/38/50/39/1073385039.db2.gz XZYJLMPMJZBNLT-BNLOLNQZSA-N 0 3 427.452 -0.262 20 0 IBADHN C[C@H](N)C(=O)N[C@H](CCC(=O)NCCSCc1csc(CN(C)C)n1)C(N)=O ZINC001220128478 1073385181 /nfs/dbraw/zinc/38/51/81/1073385181.db2.gz GNHKMNBEPOSSOS-WCQYABFASA-N 0 3 430.600 -0.348 20 0 IBADHN CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NCC1(F)CCOCC1)C(=O)CF ZINC001220137078 1073385729 /nfs/dbraw/zinc/38/57/29/1073385729.db2.gz QTAUCNKFIXWWQI-XEZPLFJOSA-N 0 3 434.484 -0.477 20 0 IBADHN CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NCCOC(F)(F)F)C(=O)CF ZINC001220139669 1073385682 /nfs/dbraw/zinc/38/56/82/1073385682.db2.gz VJQALUPRTBDYSO-KWBADKCTSA-N 0 3 430.399 -0.460 20 0 IBADHN CO[C@@H]1COCC[C@H]1NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](N)C(C)C ZINC001220141450 1073385718 /nfs/dbraw/zinc/38/57/18/1073385718.db2.gz NACSBKPHLMGMLD-RMJJICAUSA-N 0 3 434.537 -0.267 20 0 IBADHN CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)C(=O)NC1CC2(C1)CS(=O)(=O)C2 ZINC001220143444 1073385574 /nfs/dbraw/zinc/38/55/74/1073385574.db2.gz IIUIMRGDZHAYAW-BPUTZDHNSA-N 0 3 442.582 -0.451 20 0 IBADHN CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NC(=N)c1nccs1)C(=O)CF ZINC001220153961 1073385702 /nfs/dbraw/zinc/38/57/02/1073385702.db2.gz FWRYBSCHMJDWMT-KWBADKCTSA-N 0 3 428.490 -0.514 20 0 IBADHN CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NC(=N)c1ccc(F)cn1)C(=O)CF ZINC001220170378 1073385513 /nfs/dbraw/zinc/38/55/13/1073385513.db2.gz JFSOFMCHKOBQOI-NKFCBESUSA-N 0 3 440.451 -0.436 20 0 IBADHN CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)C(=O)N[C@@H]1COCCC12OCCO2 ZINC001220174692 1073386262 /nfs/dbraw/zinc/38/62/62/1073386262.db2.gz ZMLOMIHJOCVNNF-LUKYLMHMSA-N 0 3 440.541 -0.496 20 0 IBADHN CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)C(=O)N[C@H]1COCCC12OCCO2 ZINC001220174693 1073386087 /nfs/dbraw/zinc/38/60/87/1073386087.db2.gz ZMLOMIHJOCVNNF-QAETUUGQSA-N 0 3 440.541 -0.496 20 0 IBADHN CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCc1ccn(C)c(=O)c1 ZINC001220179951 1073386161 /nfs/dbraw/zinc/38/61/61/1073386161.db2.gz WTCNMSFLEJSDAP-RXVVDRJESA-N 0 3 441.532 -0.172 20 0 IBADHN COc1ccnc(C(=N)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)N)n1 ZINC001220183289 1073385945 /nfs/dbraw/zinc/38/59/45/1073385945.db2.gz KWFLIFPYGYXBJZ-IHRRRGAJSA-N 0 3 433.513 -0.204 20 0 IBADHN CCOc1cc([C@@H](CS(C)(=O)=O)NC(=O)[C@H]2COC3(CNC3)CN2)ccc1OC ZINC001220194085 1073386234 /nfs/dbraw/zinc/38/62/34/1073386234.db2.gz ZGTBTQVENXEMBP-HUUCEWRRSA-N 0 3 427.523 -0.374 20 0 IBADHN CCOc1cc([C@@H](CS(C)(=O)=O)NC(=O)[C@@H]2COC3(CNC3)CN2)ccc1OC ZINC001220194086 1073386216 /nfs/dbraw/zinc/38/62/16/1073386216.db2.gz ZGTBTQVENXEMBP-LSDHHAIUSA-N 0 3 427.523 -0.374 20 0 IBADHN CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)C(=O)NCC1(N2CCCC2)COC1 ZINC001220197707 1073385976 /nfs/dbraw/zinc/38/59/76/1073385976.db2.gz PAPZWKIAFYHBNR-BZSNNMDCSA-N 0 3 437.585 -0.164 20 0 IBADHN CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NC1(c2cccnn2)CC1)C(=O)CF ZINC001220209953 1073385990 /nfs/dbraw/zinc/38/59/90/1073385990.db2.gz KTOFSTYDHLDRPM-DCGLDWPTSA-N 0 3 436.488 -0.517 20 0 IBADHN CCOC(=O)CC1(NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]2CCCN2C(=O)[C@H](C)N)COC1 ZINC001220214725 1073386023 /nfs/dbraw/zinc/38/60/23/1073386023.db2.gz GCIFBQCDDWMUJV-JYJNAYRXSA-N 0 3 440.541 -0.306 20 0 IBADHN CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N[C@@H]1CCOC(C)(C)C1)C(=O)CF ZINC001220218810 1073386436 /nfs/dbraw/zinc/38/64/36/1073386436.db2.gz GFKDPDFJEHVSFJ-LOUJCGABSA-N 0 3 430.521 -0.038 20 0 IBADHN CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N[C@H]1CCOC(C)(C)C1)C(=O)CF ZINC001220218811 1073386762 /nfs/dbraw/zinc/38/67/62/1073386762.db2.gz GFKDPDFJEHVSFJ-WSMBLCCSSA-N 0 3 430.521 -0.038 20 0 IBADHN COC1CCC(NC(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)C(C)C)C(=O)CF)CC1 ZINC001220223175 1073386644 /nfs/dbraw/zinc/38/66/44/1073386644.db2.gz SJGULFZVXLJMPJ-GDKVEYGSSA-N 0 3 430.521 -0.038 20 0 IBADHN CCOC(CCNC(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)C(C)C)C(=O)CF)OCC ZINC001220231148 1073386667 /nfs/dbraw/zinc/38/66/67/1073386667.db2.gz WGVFXFRDQYQUKX-DEYYWGMASA-N 0 3 448.536 -0.207 20 0 IBADHN CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCc1cnccn1 ZINC001220243290 1073386493 /nfs/dbraw/zinc/38/64/93/1073386493.db2.gz RGBOGQQMPBRLKR-ICSRJNTNSA-N 0 3 426.521 -0.038 20 0 IBADHN CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NC[C@H]1CC(=O)N(C)C1 ZINC001220245251 1073386728 /nfs/dbraw/zinc/38/67/28/1073386728.db2.gz LSIBJSOARCTVIN-UWVAXJGDSA-N 0 3 431.537 -0.592 20 0 IBADHN CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NC[C@@H]1CC(=O)N(C)C1 ZINC001220245252 1073387206 /nfs/dbraw/zinc/38/72/06/1073387206.db2.gz LSIBJSOARCTVIN-ZWOKBUDYSA-N 0 3 431.537 -0.592 20 0 IBADHN CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N[C@@H]1CCc2n[nH]cc2C1)C(=O)CF ZINC001220261150 1073387311 /nfs/dbraw/zinc/38/73/11/1073387311.db2.gz SGPJDDCPQXFJQR-NYBLNRJDSA-N 0 3 438.504 -0.715 20 0 IBADHN CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N[C@H]1CCc2n[nH]cc2C1)C(=O)CF ZINC001220261151 1073387238 /nfs/dbraw/zinc/38/72/38/1073387238.db2.gz SGPJDDCPQXFJQR-QCRGFSPQSA-N 0 3 438.504 -0.715 20 0 IBADHN O=C(NC1CCN(S(=O)(=O)c2ccccc2)CC1)[C@@H]1CCS(=O)(=O)C12CNC2 ZINC001220263282 1073387099 /nfs/dbraw/zinc/38/70/99/1073387099.db2.gz FFULFUPJWDHHRJ-INIZCTEOSA-N 0 3 427.548 -0.267 20 0 IBADHN O=C(NC1CCN(S(=O)(=O)c2ccccc2)CC1)[C@H]1CCS(=O)(=O)C12CNC2 ZINC001220263283 1073387082 /nfs/dbraw/zinc/38/70/82/1073387082.db2.gz FFULFUPJWDHHRJ-MRXNPFEDSA-N 0 3 427.548 -0.267 20 0 IBADHN C[C@H](N)C(=O)N[C@H](CCC(=O)NC1CCN(S(=O)(=O)c2ccccc2)CC1)C(N)=O ZINC001220267079 1073387217 /nfs/dbraw/zinc/38/72/17/1073387217.db2.gz ZPLZRLWHKALTHJ-XJKSGUPXSA-N 0 3 439.538 -0.947 20 0 IBADHN CC(C)C[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCS(=O)(=O)N(C)C ZINC001220268931 1073387131 /nfs/dbraw/zinc/38/71/31/1073387131.db2.gz RBLDGJIRSKMAFP-IRXDYDNUSA-N 0 3 428.555 -0.200 20 0 IBADHN CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NC1COC(C)(C)OC1)C(=O)CF ZINC001220270732 1073387273 /nfs/dbraw/zinc/38/72/73/1073387273.db2.gz DLOAVXWJRGYHKU-RBOXIYTFSA-N 0 3 432.493 -0.844 20 0 IBADHN CC(C)C[C@H](NC(=O)[C@@H]1CCC[NH2+]1)C(=O)NCC(=O)NCc1cccc(-c2nn[n-]n2)c1 ZINC001220270761 1073387260 /nfs/dbraw/zinc/38/72/60/1073387260.db2.gz FKRYJNXINXXCTK-IRXDYDNUSA-N 0 3 442.524 -0.118 20 0 IBADHN CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCc1cnn(C)c1 ZINC001220276403 1073387696 /nfs/dbraw/zinc/38/76/96/1073387696.db2.gz JKTYNUARNUOJEH-ICSRJNTNSA-N 0 3 428.537 -0.094 20 0 IBADHN CCOC(=O)[C@H](NC(=O)[C@@H](N)Cc1cncn1C)[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC001220283164 1073388140 /nfs/dbraw/zinc/38/81/40/1073388140.db2.gz UJVKRHDJSGXBJM-BBWFWOEESA-N 0 3 438.506 -0.525 20 0 IBADHN CCOC(=O)[C@H](NC(=O)[C@H](N)CCC(=O)OC)[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC001220283532 1073388101 /nfs/dbraw/zinc/38/81/01/1073388101.db2.gz XQZNDYVPADNHQJ-BMFZPTHFSA-N 0 3 430.479 -0.548 20 0 IBADHN CCOC(=O)[C@H](NC(=O)[C@@H](N)CCC(=O)OC)[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC001220283533 1073388158 /nfs/dbraw/zinc/38/81/58/1073388158.db2.gz XQZNDYVPADNHQJ-IMJJTQAJSA-N 0 3 430.479 -0.548 20 0 IBADHN CCOC(=O)[C@H](NC(=O)[C@H]1CCC2(CNC2)O1)[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC001220283541 1073388221 /nfs/dbraw/zinc/38/82/21/1073388221.db2.gz YAEFECYNSQKAAT-OAGGEKHMSA-N 0 3 426.491 -0.308 20 0 IBADHN CCOC(=O)[C@H](NC(=O)[C@@H]1CCC2(CNC2)O1)[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC001220283544 1073388059 /nfs/dbraw/zinc/38/80/59/1073388059.db2.gz YAEFECYNSQKAAT-XHSDSOJGSA-N 0 3 426.491 -0.308 20 0 IBADHN CCOC(=O)[C@H](NC(=O)[C@@H](N)CC[S@@](C)=O)[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC001220283996 1073388214 /nfs/dbraw/zinc/38/82/14/1073388214.db2.gz BCUOVAZADVAIOS-GOJWANAUSA-N 0 3 434.536 -0.733 20 0 IBADHN CCOC(=O)[C@H](NC(=O)[C@@H](N)CC[S@](C)=O)[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC001220283997 1073388073 /nfs/dbraw/zinc/38/80/73/1073388073.db2.gz BCUOVAZADVAIOS-KWMBLPAVSA-N 0 3 434.536 -0.733 20 0 IBADHN CCOC(=O)[C@H](NC(=O)[C@H](C)NC(=O)[C@H](C)N)[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC001220284029 1073388207 /nfs/dbraw/zinc/38/82/07/1073388207.db2.gz CFZINDQHMBURKB-AZHAFVHUSA-N 0 3 429.495 -0.977 20 0 IBADHN CCOC(=O)[C@H](NC(=O)[C@@H](N)C1CCOCC1)[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC001220284774 1073388978 /nfs/dbraw/zinc/38/89/78/1073388978.db2.gz VTXMGYZDMDRHOA-BBWFWOEESA-N 0 3 428.507 -0.075 20 0 IBADHN Cc1ccc(S(=O)(=O)n2cnc(C[C@@H](N)C(=O)N[C@@H](CO)Cc3cnc[nH]3)c2)cc1 ZINC001220291790 1073388898 /nfs/dbraw/zinc/38/88/98/1073388898.db2.gz XTEXAVNQSMBKJQ-SJLPKXTDSA-N 0 3 432.506 -0.259 20 0 IBADHN C[C@H](N)C(=O)N[C@H](CCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)OC(C)(C)C)C(N)=O ZINC001220294363 1073388879 /nfs/dbraw/zinc/38/88/79/1073388879.db2.gz RDJNWKARRLAWKW-MAZHCROVSA-N 0 3 436.509 -0.141 20 0 IBADHN COC(=O)[C@@](C)(Cc1c[nH]c2ccccc12)NC(=O)CC[C@@H](NC(=O)[C@H](C)N)C(N)=O ZINC001220296442 1073389012 /nfs/dbraw/zinc/38/90/12/1073389012.db2.gz PONQALCPPMCYPJ-CFTTWAEZSA-N 0 3 431.493 -0.144 20 0 IBADHN COC(=O)[C@](C)(Cc1c[nH]c2ccccc12)NC(=O)CC[C@@H](NC(=O)[C@H](C)N)C(N)=O ZINC001220296443 1073388936 /nfs/dbraw/zinc/38/89/36/1073388936.db2.gz PONQALCPPMCYPJ-LSWYUMSHSA-N 0 3 431.493 -0.144 20 0 IBADHN CC(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@H]1C[C@@H](C(=O)OCc2ccccc2)CCCN1 ZINC001220357508 1073389359 /nfs/dbraw/zinc/38/93/59/1073389359.db2.gz LPECXFAQKBXCNH-BZSNNMDCSA-N 0 3 434.493 -0.825 20 0 IBADHN CC(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H]1C[C@H](C(=O)OCc2ccccc2)CCCN1 ZINC001220357511 1073389538 /nfs/dbraw/zinc/38/95/38/1073389538.db2.gz LPECXFAQKBXCNH-FGTMMUONSA-N 0 3 434.493 -0.825 20 0 IBADHN CC(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@@H]1C[C@@H](C(=O)OCc2ccccc2)CCCN1 ZINC001220357513 1073389404 /nfs/dbraw/zinc/38/94/04/1073389404.db2.gz LPECXFAQKBXCNH-OKZBNKHCSA-N 0 3 434.493 -0.825 20 0 IBADHN CC(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@H]1C[C@H](C(=O)OCc2ccccc2)CCCN1 ZINC001220357515 1073389400 /nfs/dbraw/zinc/38/94/00/1073389400.db2.gz LPECXFAQKBXCNH-SQNIBIBYSA-N 0 3 434.493 -0.825 20 0 IBADHN CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NCc1ccc(Cl)nn1)C(=O)CF ZINC001220368729 1073389431 /nfs/dbraw/zinc/38/94/31/1073389431.db2.gz LJKBAYXVHHXFLJ-PKWAYOAASA-N 0 3 444.895 -0.352 20 0 IBADHN COC(=O)c1n[nH]cc1NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](N)C(C)C ZINC001220373285 1073389381 /nfs/dbraw/zinc/38/93/81/1073389381.db2.gz ICWWZNHOWHPTHE-YOEHRIQHSA-N 0 3 444.492 -0.038 20 0 IBADHN COC(=O)c1n[nH]cc1NC(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)C(C)C)C(=O)CF ZINC001220373672 1073389344 /nfs/dbraw/zinc/38/93/44/1073389344.db2.gz XINBJLSCJGAGFL-BHDSKKPTSA-N 0 3 442.448 -0.964 20 0 IBADHN CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NC[C@H]1COCCN1C ZINC001220381041 1073389959 /nfs/dbraw/zinc/38/99/59/1073389959.db2.gz GEFNNJIMYTXEEE-BJLQDIEVSA-N 0 3 433.553 -0.740 20 0 IBADHN CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NC[C@@H]1COCCN1C ZINC001220381049 1073389895 /nfs/dbraw/zinc/38/98/95/1073389895.db2.gz GEFNNJIMYTXEEE-HBFSDRIKSA-N 0 3 433.553 -0.740 20 0 IBADHN CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NCc1ncccc1O)C(=O)CF ZINC001220390208 1073389941 /nfs/dbraw/zinc/38/99/41/1073389941.db2.gz SRANDTPEBDMXSC-PRXAMGSTSA-N 0 3 425.461 -0.695 20 0 IBADHN COC(=O)[C@H]1CC[C@H](NC(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)C(C)C)C(=O)CF)C1 ZINC001220406226 1073389796 /nfs/dbraw/zinc/38/97/96/1073389796.db2.gz MLIRWANVWMLGLH-DEEHTKSCSA-N 0 3 444.504 -0.654 20 0 IBADHN COC(=O)[C@H]1CC[C@@H](NC(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)C(C)C)C(=O)CF)C1 ZINC001220406227 1073389927 /nfs/dbraw/zinc/38/99/27/1073389927.db2.gz MLIRWANVWMLGLH-LHLGERLTSA-N 0 3 444.504 -0.654 20 0 IBADHN COC(=O)[C@@H]1CC[C@@H](NC(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)C(C)C)C(=O)CF)C1 ZINC001220406228 1073389880 /nfs/dbraw/zinc/38/98/80/1073389880.db2.gz MLIRWANVWMLGLH-SMRWVPHVSA-N 0 3 444.504 -0.654 20 0 IBADHN COC(=O)[C@@H]1CC[C@H](NC(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)C(C)C)C(=O)CF)C1 ZINC001220406229 1073390017 /nfs/dbraw/zinc/39/00/17/1073390017.db2.gz MLIRWANVWMLGLH-WLZFUECHSA-N 0 3 444.504 -0.654 20 0 IBADHN CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1cc(=O)n(C)c(=O)[nH]1 ZINC001220424637 1073390483 /nfs/dbraw/zinc/39/04/83/1073390483.db2.gz NTPRZBODVWWAJN-KSSFIOAISA-N 0 3 444.492 -0.749 20 0 IBADHN CC[C@H](C)[C@H](N)C(=O)NCC(=O)NCc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC001220433725 1073390876 /nfs/dbraw/zinc/39/08/76/1073390876.db2.gz GYDVCMYSMYXRSX-KSSFIOAISA-N 0 3 426.539 -0.187 20 0 IBADHN O=C(NCc1cccc(S(=O)(=O)N2CCOCC2)c1)[C@@H]1CCS(=O)(=O)C12CNC2 ZINC001220433991 1073390861 /nfs/dbraw/zinc/39/08/61/1073390861.db2.gz QKGLQASQDNECJB-INIZCTEOSA-N 0 3 443.547 -0.900 20 0 IBADHN O=C(NCc1cccc(S(=O)(=O)N2CCOCC2)c1)[C@H]1CCS(=O)(=O)C12CNC2 ZINC001220433992 1073390909 /nfs/dbraw/zinc/39/09/09/1073390909.db2.gz QKGLQASQDNECJB-MRXNPFEDSA-N 0 3 443.547 -0.900 20 0 IBADHN CC(C)C[C@H](N)C(=O)NCC(=O)NCc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC001220434163 1073391368 /nfs/dbraw/zinc/39/13/68/1073391368.db2.gz XMKMPHNVNKGJHQ-KRWDZBQOSA-N 0 3 426.539 -0.187 20 0 IBADHN CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NC1CCN(CCF)CC1)C(=O)CF ZINC001220435169 1073391432 /nfs/dbraw/zinc/39/14/32/1073391432.db2.gz BHAXDXLPQWHKNY-YEWWUXTCSA-N 0 3 447.527 -0.562 20 0 IBADHN CC(=O)NCCCC[C@H](N)C(=O)NCc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC001220436574 1073391387 /nfs/dbraw/zinc/39/13/87/1073391387.db2.gz XJDJECNWQROTRU-SFHVURJKSA-N 0 3 426.539 -0.043 20 0 IBADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@@H](Cc1ccccc1)C(=O)NC1CCCCC1 ZINC001220441316 1073391311 /nfs/dbraw/zinc/39/13/11/1073391311.db2.gz YFAOOPXSOCRUNV-WBAXXEDZSA-N 0 3 431.537 -0.130 20 0 IBADHN CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](CO)C(F)(F)F ZINC001220447898 1073391340 /nfs/dbraw/zinc/39/13/40/1073391340.db2.gz RCUGGWYVBFDWQS-DZKIICNBSA-N 0 3 432.443 -0.147 20 0 IBADHN CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H](CO)C(F)(F)F ZINC001220447899 1073391278 /nfs/dbraw/zinc/39/12/78/1073391278.db2.gz RCUGGWYVBFDWQS-LZWOXQAQSA-N 0 3 432.443 -0.147 20 0 IBADHN CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NC[C@H](O)C1CCCCC1)C(=O)CF ZINC001220467534 1073391222 /nfs/dbraw/zinc/39/12/22/1073391222.db2.gz ZLYQKZOCUCAOGH-CJCBUOBESA-N 0 3 444.548 -0.055 20 0 IBADHN CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NC[C@@H](O)C1CCCCC1)C(=O)CF ZINC001220467535 1073391732 /nfs/dbraw/zinc/39/17/32/1073391732.db2.gz ZLYQKZOCUCAOGH-YRMAPFEESA-N 0 3 444.548 -0.055 20 0 IBADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)NC[C@@H]1C[C@H](CC(=O)OC(C)(C)C)OC(C)(C)O1 ZINC001220469451 1073391756 /nfs/dbraw/zinc/39/17/56/1073391756.db2.gz YYMUEXRNXNSLNF-CRWXNKLISA-N 0 3 444.529 -0.548 20 0 IBADHN COCCOCCOCCOCCNC(=O)[C@@H](N)CCCNC(=O)c1cnccn1 ZINC001220512049 1073396965 /nfs/dbraw/zinc/39/69/65/1073396965.db2.gz BBWGPUMXYJYPAU-INIZCTEOSA-N 0 3 427.502 -0.874 20 0 IBADHN CN(C)c1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](NC(=O)[C@@H](N)CC2CCCC2)[C@H]1O ZINC001220514881 1073397603 /nfs/dbraw/zinc/39/76/03/1073397603.db2.gz WIBZWUQQRMLLGZ-GJIZYBQMSA-N 0 3 433.513 -0.465 20 0 IBADHN CCOC(=O)C1=C(NC(=O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCC(=O)N2)CCNC1 ZINC001220523133 1073398637 /nfs/dbraw/zinc/39/86/37/1073398637.db2.gz JOOOJRXQAHQJKI-ROUUACIJSA-N 0 3 428.489 -0.081 20 0 IBADHN CCOC(=O)C1=C(NC(=O)[C@@H](NC(=O)[C@H](CCSC)NC=O)C(C)C)CCNC1 ZINC001220524224 1073398737 /nfs/dbraw/zinc/39/87/37/1073398737.db2.gz ZMUADLLPFIIIMD-HOTGVXAUSA-N 0 3 428.555 -0.078 20 0 IBADHN CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NCc1nccc(Cl)n1)C(=O)CF ZINC001220529545 1073398865 /nfs/dbraw/zinc/39/88/65/1073398865.db2.gz DEMPLCRZPIZENX-MMPTUQATSA-N 0 3 444.895 -0.352 20 0 IBADHN C[C@H](NC(=O)[C@@H](N)CO)C(=O)NC[C@@H](O)CN(Cc1ccccc1)Cc1ccccc1 ZINC001220535731 1073398589 /nfs/dbraw/zinc/39/85/89/1073398589.db2.gz KRSXKBVUKADZCJ-WMQCIHAUSA-N 0 3 428.533 -0.010 20 0 IBADHN C[C@H](NC(=O)[C@@H](N)CO)C(=O)NC[C@H](O)CN(Cc1ccccc1)Cc1ccccc1 ZINC001220535732 1073398506 /nfs/dbraw/zinc/39/85/06/1073398506.db2.gz KRSXKBVUKADZCJ-YYWHXJBOSA-N 0 3 428.533 -0.010 20 0 IBADHN CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NCc1cccc2ccnn21)C(=O)CF ZINC001220553078 1073400412 /nfs/dbraw/zinc/40/04/12/1073400412.db2.gz FQBSUKDMVYVHDM-AXHNFQJDSA-N 0 3 448.499 -0.148 20 0 IBADHN CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCN1CC2(COC2)C1 ZINC001220571745 1073400313 /nfs/dbraw/zinc/40/03/13/1073400313.db2.gz YMCBXGUDFIKYCT-ICSRJNTNSA-N 0 3 445.564 -0.738 20 0 IBADHN CC[C@H](C)[C@H](N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCC(=O)NCC(=O)OC ZINC001220576044 1073400191 /nfs/dbraw/zinc/40/01/91/1073400191.db2.gz QPPZOLVUGMRLGL-ROOHIHILSA-N 0 3 445.520 -0.026 20 0 IBADHN COC(=O)[C@H](Cc1ccc(OC(C)(C)C)cc1)NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N ZINC001220585586 1073400966 /nfs/dbraw/zinc/40/09/66/1073400966.db2.gz QEZNQFLOWMEAPU-RCBQFDQVSA-N 0 3 436.509 -0.228 20 0 IBADHN CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCCN(C)C1=O ZINC001220590334 1073400952 /nfs/dbraw/zinc/40/09/52/1073400952.db2.gz LWVODHXRIOXEJW-LNLFQRSKSA-N 0 3 431.537 -0.450 20 0 IBADHN CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N[C@H](C)c1ncc(F)cn1)C(=O)CF ZINC001220599171 1073400792 /nfs/dbraw/zinc/40/07/92/1073400792.db2.gz NVLIYTXQKXUMDM-IZBNFRDHSA-N 0 3 442.467 -0.306 20 0 IBADHN CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N[C@@H]1NC(=O)c2ccccc21)C(=O)CF ZINC001220619992 1073400935 /nfs/dbraw/zinc/40/09/35/1073400935.db2.gz NGTKMZHSYJIPQS-GWLOYZTESA-N 0 3 449.483 -0.554 20 0 IBADHN CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)N[C@H]1NC(=O)c2ccccc21)C(=O)CF ZINC001220619993 1073401026 /nfs/dbraw/zinc/40/10/26/1073401026.db2.gz NGTKMZHSYJIPQS-RQXAQYCVSA-N 0 3 449.483 -0.554 20 0 IBADHN O=C(NC1CCN(S(=O)(=O)c2ccccn2)CC1)[C@@H]1CCS(=O)(=O)C12CNC2 ZINC001220622053 1073400906 /nfs/dbraw/zinc/40/09/06/1073400906.db2.gz HRKAEIISNNUUPZ-AWEZNQCLSA-N 0 3 428.536 -0.872 20 0 IBADHN O=C(NC1CCN(S(=O)(=O)c2ccccn2)CC1)[C@H]1CCS(=O)(=O)C12CNC2 ZINC001220622054 1073401009 /nfs/dbraw/zinc/40/10/09/1073401009.db2.gz HRKAEIISNNUUPZ-CQSZACIVSA-N 0 3 428.536 -0.872 20 0 IBADHN C[C@H](N)C(=O)N1[C@H](C(=O)NC2CCN(S(=O)(=O)c3ccccn3)CC2)COC1(C)C ZINC001220622236 1073400993 /nfs/dbraw/zinc/40/09/93/1073400993.db2.gz KJOFKJNVLSRXIR-ZFWWWQNUSA-N 0 3 439.538 -0.338 20 0 IBADHN C[C@H](N)C(=O)N[C@H](CCC(=O)NC1CCN(c2cnc3ccccc3n2)CC1)C(N)=O ZINC001220624276 1073401483 /nfs/dbraw/zinc/40/14/83/1073401483.db2.gz JVDWPILCHCBZDU-SUMWQHHRSA-N 0 3 427.509 -0.188 20 0 IBADHN NC(=O)NCCC[C@H](N)C(=O)NC[C@H](c1cnc(C(F)(F)F)nc1)N1CCOCC1 ZINC001220640485 1073401577 /nfs/dbraw/zinc/40/15/77/1073401577.db2.gz BKAKADZMGFHZQK-QWHCGFSZSA-N 0 3 433.435 -0.239 20 0 IBADHN NC(=O)NCCC[C@H](N)C(=O)NC[C@@H](c1cnc(C(F)(F)F)nc1)N1CCOCC1 ZINC001220640486 1073401627 /nfs/dbraw/zinc/40/16/27/1073401627.db2.gz BKAKADZMGFHZQK-STQMWFEESA-N 0 3 433.435 -0.239 20 0 IBADHN CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NCCc1cnc(N)s1)C(=O)CF ZINC001220704904 1073402481 /nfs/dbraw/zinc/40/24/81/1073402481.db2.gz XUKDLBJOKKDKMY-WBIUFABUSA-N 0 3 444.533 -0.715 20 0 IBADHN CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NCCC(=O)NC(C)(C)C)C(=O)CF ZINC001220708820 1073402457 /nfs/dbraw/zinc/40/24/57/1073402457.db2.gz IIQSDZCUHWXPJP-DCGLDWPTSA-N 0 3 445.536 -0.691 20 0 IBADHN CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)C(=O)NCCN1CCOC[C@H]1C ZINC001220724398 1073402407 /nfs/dbraw/zinc/40/24/07/1073402407.db2.gz GEWHBDUXQMWAMH-OWSLCNJRSA-N 0 3 425.574 -0.308 20 0 IBADHN CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)C(=O)NCCN1CCOC[C@@H]1C ZINC001220724399 1073402322 /nfs/dbraw/zinc/40/23/22/1073402322.db2.gz GEWHBDUXQMWAMH-XSLAGTTESA-N 0 3 425.574 -0.308 20 0 IBADHN CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCN1CCOC[C@@H]1C ZINC001220725625 1073402391 /nfs/dbraw/zinc/40/23/91/1073402391.db2.gz VVPJCEMXYQUIEY-CUWPLCDZSA-N 0 3 447.580 -0.350 20 0 IBADHN CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCN1CCOC[C@H]1C ZINC001220725626 1073402374 /nfs/dbraw/zinc/40/23/74/1073402374.db2.gz VVPJCEMXYQUIEY-LMNJBCLMSA-N 0 3 447.580 -0.350 20 0 IBADHN Cn1nc(Cl)c(I)c(NC(=O)[C@@H]2COC3(CNC3)CN2)c1=O ZINC001220729546 1073402231 /nfs/dbraw/zinc/40/22/31/1073402231.db2.gz GJUXMXSTRYOALF-LURJTMIESA-N 0 3 439.641 -0.693 20 0 IBADHN Cn1nc(Cl)c(I)c(NC(=O)[C@H]2COC3(CNC3)CN2)c1=O ZINC001220729547 1073402465 /nfs/dbraw/zinc/40/24/65/1073402465.db2.gz GJUXMXSTRYOALF-ZCFIWIBFSA-N 0 3 439.641 -0.693 20 0 IBADHN C[C@H](N)C(=O)N[C@@H](C)C(=O)Nc1c(I)c(Cl)nn(C)c1=O ZINC001220730422 1073402994 /nfs/dbraw/zinc/40/29/94/1073402994.db2.gz YHQVASDQFVEKIK-WHFBIAKZSA-N 0 3 427.630 -0.171 20 0 IBADHN COC(CCCNC(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)C(C)C)C(=O)CF)OC ZINC001220742342 1073403146 /nfs/dbraw/zinc/40/31/46/1073403146.db2.gz WWGGKUUTGZJOMS-DCGLDWPTSA-N 0 3 434.509 -0.597 20 0 IBADHN CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCSC)C(=O)NCCCN1CCS(=O)(=O)CC1 ZINC001220756355 1073405319 /nfs/dbraw/zinc/40/53/19/1073405319.db2.gz BTHXQLDZMNQZHM-JYJNAYRXSA-N 0 3 436.644 -0.166 20 0 IBADHN CC(=O)NC[C@@H](C)CNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](N)C(C)C ZINC001220756697 1073405419 /nfs/dbraw/zinc/40/54/19/1073405419.db2.gz IAKYOVQFUJUENF-BPAFIMBUSA-N 0 3 433.553 -0.298 20 0 IBADHN CC(=O)NC[C@H](C)CNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](N)C(C)C ZINC001220756698 1073405380 /nfs/dbraw/zinc/40/53/80/1073405380.db2.gz IAKYOVQFUJUENF-QSFXBCCZSA-N 0 3 433.553 -0.298 20 0 IBADHN COc1ccc2c(C[C@H](N)C(=O)NCCCN3CCS(=O)(=O)CC3)cc(=O)oc2c1 ZINC001220756928 1073405348 /nfs/dbraw/zinc/40/53/48/1073405348.db2.gz OFTOGWNFZHQHOT-KRWDZBQOSA-N 0 3 437.518 -0.092 20 0 IBADHN N[C@@H](CCCCNC(=O)c1ccccn1)C(=O)NCCCN1CCS(=O)(=O)CC1 ZINC001220756953 1073405333 /nfs/dbraw/zinc/40/53/33/1073405333.db2.gz OWYVTIPPCKAGIJ-INIZCTEOSA-N 0 3 425.555 -0.454 20 0 IBADHN CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NCCC1CCC(O)CC1)C(=O)CF ZINC001220758258 1073405304 /nfs/dbraw/zinc/40/53/04/1073405304.db2.gz CYOZGRWLRNSNGA-XHPKPUNNSA-N 0 3 444.548 -0.055 20 0 IBADHN CC(N)=CC(=O)OCCCCOC(=O)/C=C(/C)NC(=O)[C@@H]1CCS(=O)(=O)C12CNC2 ZINC001220760858 1073406132 /nfs/dbraw/zinc/40/61/32/1073406132.db2.gz WKTFJIJGGAVLGS-BTCRNBTQSA-N 0 3 443.522 -0.488 20 0 IBADHN CC(N)=CC(=O)OCCCCOC(=O)/C=C(/C)NC(=O)[C@H]1CCS(=O)(=O)C12CNC2 ZINC001220760860 1073406008 /nfs/dbraw/zinc/40/60/08/1073406008.db2.gz WKTFJIJGGAVLGS-UYXDEHIJSA-N 0 3 443.522 -0.488 20 0 IBADHN Cc1ccc(C(=O)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2NC(=O)[C@@H](C)N)cc1 ZINC001220766208 1073406197 /nfs/dbraw/zinc/40/61/97/1073406197.db2.gz NUYJKUBIWJVDND-CSNQDMAISA-N 0 3 432.433 -0.795 20 0 IBADHN COC(=O)[C@H](Cc1cncn1C)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CCSC ZINC001220772878 1073406798 /nfs/dbraw/zinc/40/67/98/1073406798.db2.gz UHAFWFBWALGGBG-KKUMJFAQSA-N 0 3 445.611 -0.061 20 0 IBADHN COC(=O)[C@@H](Cc1cncn1C)NC(=O)[C@H](CCSC)NC(=O)[C@@H](N)CCSC ZINC001220772879 1073406767 /nfs/dbraw/zinc/40/67/67/1073406767.db2.gz UHAFWFBWALGGBG-SOUVJXGZSA-N 0 3 445.611 -0.061 20 0 IBADHN CCOC(=O)C1=C(NC(=O)c2ccc(S(C)(=O)=O)cc2N2CCN(C)CC2)CNC1 ZINC001220834433 1073407468 /nfs/dbraw/zinc/40/74/68/1073407468.db2.gz YPXDKISYDHJBCX-UHFFFAOYSA-N 0 3 436.534 -0.008 20 0 IBADHN CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)C(N)=O ZINC001220839826 1073407535 /nfs/dbraw/zinc/40/75/35/1073407535.db2.gz DEBQTQZQOMPMFK-AJNGGQMLSA-N 0 3 429.587 -0.421 20 0 IBADHN COC(=O)[C@H](CNC(=O)CC[C@@H](NC(=O)[C@H](C)N)C(N)=O)c1c[nH]c2ccc(OC)cc21 ZINC001220842864 1073407443 /nfs/dbraw/zinc/40/74/43/1073407443.db2.gz BXDMRQKXLPKVLJ-UXEPBGEESA-N 0 3 447.492 -0.353 20 0 IBADHN COC(=O)[C@@H](CNC(=O)CC[C@@H](NC(=O)[C@H](C)N)C(N)=O)c1c[nH]c2ccc(OC)cc21 ZINC001220842865 1073407504 /nfs/dbraw/zinc/40/75/04/1073407504.db2.gz BXDMRQKXLPKVLJ-XNJJOIOASA-N 0 3 447.492 -0.353 20 0 IBADHN COC(=O)[C@@H](CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N)c1c[nH]c2ccc(OC)cc21 ZINC001220843379 1073407495 /nfs/dbraw/zinc/40/74/95/1073407495.db2.gz TWOHHMSARMKRRA-FSBGKCOPSA-N 0 3 433.465 -0.743 20 0 IBADHN COC(=O)[C@H](CNC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N)c1c[nH]c2ccc(OC)cc21 ZINC001220843380 1073407422 /nfs/dbraw/zinc/40/74/22/1073407422.db2.gz TWOHHMSARMKRRA-JJMVLAAESA-N 0 3 433.465 -0.743 20 0 IBADHN COC(=O)c1ccc(CNC(=O)CC[C@@H](NC(=O)[C@H](C)N)C(N)=O)c(Br)c1 ZINC001220847542 1073408202 /nfs/dbraw/zinc/40/82/02/1073408202.db2.gz XKBDLFLYPJCGME-TVQRCGJNSA-N 0 3 443.298 -0.051 20 0 IBADHN CCOC(=O)[C@H](C)CNC(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)C(C)C)C(=O)CF ZINC001220848896 1073408050 /nfs/dbraw/zinc/40/80/50/1073408050.db2.gz LYKZKOCEJGSSII-DVZHBHJUSA-N 0 3 432.493 -0.797 20 0 IBADHN CCOC(=O)[C@@H](C)CNC(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)C(C)C)C(=O)CF ZINC001220848897 1073408069 /nfs/dbraw/zinc/40/80/69/1073408069.db2.gz LYKZKOCEJGSSII-QCQGSNGOSA-N 0 3 432.493 -0.797 20 0 IBADHN CCOC(=O)C1(NC(=O)[C@H](N)Cc2cn(S(=O)(=O)c3ccc(C)cc3)cn2)CNC1 ZINC001220849250 1073408295 /nfs/dbraw/zinc/40/82/95/1073408295.db2.gz XDRPTKWKABNOQG-MRXNPFEDSA-N 0 3 435.506 -0.680 20 0 IBADHN CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NCCO[C@H]1CCCCO1)C(=O)CF ZINC001220861755 1073408809 /nfs/dbraw/zinc/40/88/09/1073408809.db2.gz DBZBLEWKZYXPMA-USJZOSNVSA-N 0 3 446.520 -0.453 20 0 IBADHN CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NCCO[C@@H]1CCCCO1)C(=O)CF ZINC001220861756 1073408799 /nfs/dbraw/zinc/40/87/99/1073408799.db2.gz DBZBLEWKZYXPMA-ZZCKCESHSA-N 0 3 446.520 -0.453 20 0 IBADHN COc1cncc(CNC(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)C(C)C)C(=O)CF)c1 ZINC001220872003 1073408872 /nfs/dbraw/zinc/40/88/72/1073408872.db2.gz GLUQRUYIYMFLIP-QITLCBANSA-N 0 3 439.488 -0.392 20 0 IBADHN CSCC[C@H](N)C(=O)N[C@@H](CCSC)C(=O)NCCOCCN1C(=O)C=CC1=O ZINC001220878501 1073409681 /nfs/dbraw/zinc/40/96/81/1073409681.db2.gz FPBFHHBQZKLXKH-KBPBESRZSA-N 0 3 446.595 -0.638 20 0 IBADHN CC[C@H](C)[C@H](N)C(=O)N[C@@H](CCSC)C(=O)NCCOCCN1C(=O)C=CC1=O ZINC001220878866 1073409703 /nfs/dbraw/zinc/40/97/03/1073409703.db2.gz UNNCHOAMDTVMCO-ZQIUZPCESA-N 0 3 428.555 -0.345 20 0 IBADHN COc1ccc2c(C[C@H](N)C(=O)NCCOCCN3C(=O)C=CC3=O)cc(=O)oc2c1 ZINC001220879032 1073409794 /nfs/dbraw/zinc/40/97/94/1073409794.db2.gz ZIJXPTWHXJLMTA-INIZCTEOSA-N 0 3 429.429 -0.271 20 0 IBADHN COC(=O)[C@H]1C[C@@H]1CNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](N)C(C)C ZINC001220881764 1073409628 /nfs/dbraw/zinc/40/96/28/1073409628.db2.gz OMKDOAFHJCBGAH-DFEOGRTESA-N 0 3 432.521 -0.261 20 0 IBADHN COC(=O)[C@H]1C[C@H]1CNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](N)C(C)C ZINC001220881765 1073409775 /nfs/dbraw/zinc/40/97/75/1073409775.db2.gz OMKDOAFHJCBGAH-DWRORGKVSA-N 0 3 432.521 -0.261 20 0 IBADHN COC(=O)[C@@H]1C[C@@H]1CNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](N)C(C)C ZINC001220881766 1073409822 /nfs/dbraw/zinc/40/98/22/1073409822.db2.gz OMKDOAFHJCBGAH-VXNCWWDNSA-N 0 3 432.521 -0.261 20 0 IBADHN COC(=O)[C@@H]1C[C@H]1CNC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](N)C(C)C ZINC001220881767 1073409854 /nfs/dbraw/zinc/40/98/54/1073409854.db2.gz OMKDOAFHJCBGAH-ZMMAXQRCSA-N 0 3 432.521 -0.261 20 0 IBADHN CC(C)(C)OC[C@H](N)C(=O)NCC(=O)NCC(=O)N1CCN(C2CCCCC2)CC1 ZINC001220900689 1073410288 /nfs/dbraw/zinc/41/02/88/1073410288.db2.gz OESDQJYNQQGEER-KRWDZBQOSA-N 0 3 425.574 -0.162 20 0 IBADHN CCC(=O)N1CC[C@H](NC(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)C(C)C)C(=O)CF)C1 ZINC001220907113 1073410394 /nfs/dbraw/zinc/41/03/94/1073410394.db2.gz HNYGCEJUHZKRAA-NUXNZHGMSA-N 0 3 443.520 -0.985 20 0 IBADHN CCC(=O)N1CC[C@H](NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](N)C(C)C)C1 ZINC001220907319 1073410474 /nfs/dbraw/zinc/41/04/74/1073410474.db2.gz MFDOWQSLQSOMBO-WFXMLNOXSA-N 0 3 445.564 -0.060 20 0 IBADHN CC(C)(C)C(=O)CN1CCC(NC(=O)[C@H](CO)NC(=O)[C@@H](N)Cc2ccc(O)cc2)CC1 ZINC001220909172 1073410498 /nfs/dbraw/zinc/41/04/98/1073410498.db2.gz MLEATMGBUXRTBM-OALUTQOASA-N 0 3 448.564 -0.065 20 0 IBADHN N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@@H](CO)C(=O)N[C@H]1CCN(Cc2cccnc2)C1 ZINC001220915161 1073411164 /nfs/dbraw/zinc/41/11/64/1073411164.db2.gz PYBFGWKVXBRKJC-IHPCNDPISA-N 0 3 427.505 -0.475 20 0 IBADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]1CCN(Cc2ccc(Br)cc2)C1 ZINC001220918994 1073411204 /nfs/dbraw/zinc/41/12/04/1073411204.db2.gz NXHFREMLKACFEW-CQDKDKBSSA-N 0 3 440.342 -0.153 20 0 IBADHN C[C@H](N)C(=O)N[C@H](CCC(=O)NCC1CCN(C(=O)c2ccc(F)cc2)CC1)C(N)=O ZINC001220923531 1073411183 /nfs/dbraw/zinc/41/11/83/1073411183.db2.gz HZDVPJGQYQUQLX-SUMWQHHRSA-N 0 3 435.500 -0.108 20 0 IBADHN COc1ccccc1CN1CC[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]2CCCN2C(=O)CN)C1 ZINC001220928683 1073411107 /nfs/dbraw/zinc/41/11/07/1073411107.db2.gz ZKQJBAXFRCJDMT-SZMVWBNQSA-N 0 3 431.537 -0.160 20 0 IBADHN Cc1noc(C2(NC(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)C(C)C)C(=O)CF)CC2)n1 ZINC001220932922 1073411133 /nfs/dbraw/zinc/41/11/33/1073411133.db2.gz SFEWHHSJPDFPKW-WBIUFABUSA-N 0 3 440.476 -0.615 20 0 IBADHN CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NC1(c2ncccn2)CC1)C(=O)CF ZINC001220933858 1073411876 /nfs/dbraw/zinc/41/18/76/1073411876.db2.gz CQWYEOGCUMJDCA-XEZPLFJOSA-N 0 3 436.488 -0.517 20 0 IBADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)NCc1cc(F)c(OC2CCOCC2)c(F)c1 ZINC001220946689 1073412503 /nfs/dbraw/zinc/41/25/03/1073412503.db2.gz FHUXAXQAKBFWND-BONVTDFDSA-N 0 3 428.436 -0.154 20 0 IBADHN CCOc1ccc(C[C@H](N)C(=O)N[C@H]2C[C@H](n3cc(C)c(=O)[nH]c3=O)O[C@@H]2CO)cc1 ZINC001220966662 1073412529 /nfs/dbraw/zinc/41/25/29/1073412529.db2.gz AINLPHIMMZJHAS-WNRNVDISSA-N 0 3 432.477 -0.009 20 0 IBADHN CN[C@@H](COCc1ccccc1)C(=O)N[C@H]1C[C@H](n2cc(C)c(=O)[nH]c2=O)O[C@@H]1CO ZINC001220966671 1073412443 /nfs/dbraw/zinc/41/24/43/1073412443.db2.gz ASWGRMAUHHXMET-WNRNVDISSA-N 0 3 432.477 -0.173 20 0 IBADHN Cc1cn([C@H]2C[C@H](NC(=O)[C@@H](N)C3CCC4(CC3)OCCO4)[C@@H](CO)O2)c(=O)[nH]c1=O ZINC001220966747 1073412455 /nfs/dbraw/zinc/41/24/55/1073412455.db2.gz DZFUFXCRGUJDLU-JJXSEGSLSA-N 0 3 438.481 -0.717 20 0 IBADHN Cc1cn([C@H]2C[C@H](NC(=O)[C@H](N)C3CCC4(CC3)OCCO4)[C@@H](CO)O2)c(=O)[nH]c1=O ZINC001220966748 1073412542 /nfs/dbraw/zinc/41/25/42/1073412542.db2.gz DZFUFXCRGUJDLU-ZJIFWQFVSA-N 0 3 438.481 -0.717 20 0 IBADHN CN[C@@H](CC(=O)OC(C)(C)C)C(=O)N[C@H]1C[C@H](n2cc(C)c(=O)[nH]c2=O)O[C@@H]1CO ZINC001220966960 1073412432 /nfs/dbraw/zinc/41/24/32/1073412432.db2.gz MOYGTEUYIROHMC-IGQOVBAYSA-N 0 3 426.470 -0.658 20 0 IBADHN Cc1cn([C@H]2C[C@H](NC(=O)[C@@H](N)CCOCc3ccccc3)[C@@H](CO)O2)c(=O)[nH]c1=O ZINC001220967265 1073413236 /nfs/dbraw/zinc/41/32/36/1073413236.db2.gz YCKSJIVUIAUWPX-WNRNVDISSA-N 0 3 432.477 -0.044 20 0 IBADHN Cc1cn([C@H]2C[C@H](NC(=O)[C@H](N)CCC(=O)OC(C)(C)C)[C@@H](CO)O2)c(=O)[nH]c1=O ZINC001220967282 1073413154 /nfs/dbraw/zinc/41/31/54/1073413154.db2.gz YXTAUNJYZJTDMN-XJFOESAGSA-N 0 3 426.470 -0.529 20 0 IBADHN CC(C)(C)OC[C@H](N)C(=O)NCC(=O)N1CCC(N)(C(=O)NCc2ccccc2)CC1 ZINC001220971099 1073413740 /nfs/dbraw/zinc/41/37/40/1073413740.db2.gz UAQQTFOYIMUEDL-KRWDZBQOSA-N 0 3 433.553 -0.119 20 0 IBADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H]1CC[C@H](N2Cc3cccc(F)c3C2=O)CC1 ZINC001220985271 1073413877 /nfs/dbraw/zinc/41/38/77/1073413877.db2.gz QAZDBKWSJWXHPA-PCBIJLKTSA-N 0 3 433.484 -0.084 20 0 IBADHN N[C@@H](CCCNC(=O)c1cnccn1)C(=O)NCc1cccc(N2CCOCC2=O)c1 ZINC001220990479 1073413921 /nfs/dbraw/zinc/41/39/21/1073413921.db2.gz NOHSFDOYCKHFCE-KRWDZBQOSA-N 0 3 426.477 -0.007 20 0 IBADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)NCc1ccc2nnc(-c3ccc(F)cc3)n2c1 ZINC001220995032 1073414028 /nfs/dbraw/zinc/41/40/28/1073414028.db2.gz PPMCNLCOZVNVIH-NHYWBVRUSA-N 0 3 427.440 -0.141 20 0 IBADHN CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NCc1ncn2ccccc12)C(=O)CF ZINC001221008289 1073413775 /nfs/dbraw/zinc/41/37/75/1073413775.db2.gz QEMXFDTXUMAIMH-NJSLBKSFSA-N 0 3 448.499 -0.148 20 0 IBADHN CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NCCc1nncs1)C(=O)CF ZINC001221013203 1073414046 /nfs/dbraw/zinc/41/40/46/1073414046.db2.gz NLNGREPFWVNUMK-PGUXBMHVSA-N 0 3 430.506 -0.902 20 0 IBADHN COC(=O)CC[C@H](NC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)C(C)(C)N)C(N)=O ZINC001221019468 1073414496 /nfs/dbraw/zinc/41/44/96/1073414496.db2.gz XBAKGHCNKGNDHP-JKSUJKDBSA-N 0 3 431.493 -0.144 20 0 IBADHN C[C@H](N)C(=O)N1[C@H](C(=O)NC2(Cc3cccnc3)CCS(=O)(=O)CC2)COC1(C)C ZINC001221028291 1073414620 /nfs/dbraw/zinc/41/46/20/1073414620.db2.gz LZHZGTDZRAKLBM-HOCLYGCPSA-N 0 3 438.550 -0.002 20 0 IBADHN CCn1c2ccccc2nc1N1CCC[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N)C1 ZINC001221065220 1073414631 /nfs/dbraw/zinc/41/46/31/1073414631.db2.gz DAKVJWCVPVXNRH-DZKIICNBSA-N 0 3 429.525 -0.151 20 0 IBADHN CCn1c2ccccc2nc1N1CCC[C@@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N)C1 ZINC001221065221 1073414476 /nfs/dbraw/zinc/41/44/76/1073414476.db2.gz DAKVJWCVPVXNRH-LZWOXQAQSA-N 0 3 429.525 -0.151 20 0 IBADHN CCC(CC)[C@@H](NC(=O)Cn1cc(F)c(=O)[n-]c1=O)[C@H]1[C@H]([NH3+])C[C@H](C(=O)OC)[C@H]1O ZINC001221072502 1073416102 /nfs/dbraw/zinc/41/61/02/1073416102.db2.gz GBCQELFIPRMELV-NIHBDADESA-N 0 3 428.461 -0.494 20 0 IBADHN CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NC1(c2cnccn2)CC1)C(=O)CF ZINC001221082387 1073415999 /nfs/dbraw/zinc/41/59/99/1073415999.db2.gz RNZZWSRVGZWYTC-DCGLDWPTSA-N 0 3 436.488 -0.517 20 0 IBADHN CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NCc1ccnn1CCF)C(=O)CF ZINC001221108114 1073416593 /nfs/dbraw/zinc/41/65/93/1073416593.db2.gz PAQQTAULBBOANB-JDFRZJQESA-N 0 3 444.483 -0.630 20 0 IBADHN N[C@@H](Cc1ccccc1)C(=O)NCC(=O)NCc1cc(N2CCS(=O)(=O)CC2)ccn1 ZINC001221148547 1073417470 /nfs/dbraw/zinc/41/74/70/1073417470.db2.gz FVAMLVXYWISSFM-IBGZPJMESA-N 0 3 445.545 -0.381 20 0 IBADHN CC(C)(C)OC[C@H](N)C(=O)NCC(=O)NCc1cc(N2CCS(=O)(=O)CC2)ccn1 ZINC001221148597 1073417428 /nfs/dbraw/zinc/41/74/28/1073417428.db2.gz ICGHAASOQYXEOZ-INIZCTEOSA-N 0 3 441.554 -0.809 20 0 IBADHN N[C@@H](CCCNC(=O)c1cnccn1)C(=O)NCc1ccc(N2CCCNC2=O)nc1 ZINC001221153978 1073417215 /nfs/dbraw/zinc/41/72/15/1073417215.db2.gz WWUNVRKDLNFQAK-HNNXBMFYSA-N 0 3 426.481 -0.055 20 0 IBADHN C[C@H](N)C(=O)N[C@H](CCC(=O)NCc1ccc(N2CCCCS2(=O)=O)cc1)C(N)=O ZINC001221158041 1073417272 /nfs/dbraw/zinc/41/72/72/1073417272.db2.gz RZIZYWXAAWTJMX-XJKSGUPXSA-N 0 3 439.538 -0.670 20 0 IBADHN CCn1cc(NC(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)C(C)C)C(=O)CF)ccc1=O ZINC001221176681 1073418336 /nfs/dbraw/zinc/41/83/36/1073418336.db2.gz JOHRWODOCGDLFJ-YEWDVWPNSA-N 0 3 439.488 -0.292 20 0 IBADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)NC1CCN(c2cc(C(F)(F)F)ncn2)CC1 ZINC001221181298 1073418383 /nfs/dbraw/zinc/41/83/83/1073418383.db2.gz GHTMLCXGSAASDG-ONGXEEELSA-N 0 3 431.419 -0.712 20 0 IBADHN C[C@H](N)C(=O)N[C@H](CCC(=O)NC1CCN(c2cc(C(F)(F)F)ncn2)CC1)C(N)=O ZINC001221181590 1073418360 /nfs/dbraw/zinc/41/83/60/1073418360.db2.gz KVTMRAIQDYWJBJ-CMPLNLGQSA-N 0 3 445.446 -0.322 20 0 IBADHN CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NCc1nc2cc[nH]cc-2n1)C(=O)CF ZINC001221194801 1073418234 /nfs/dbraw/zinc/41/82/34/1073418234.db2.gz UXGZAXGUOHQCKA-FNFWKMNBSA-N 0 3 449.487 -0.524 20 0 IBADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N[C@H](CO)Cc1ccc(OCc2ccccc2)cc1 ZINC001221221428 1073418299 /nfs/dbraw/zinc/41/82/99/1073418299.db2.gz MGEFWJOOJQZCCY-QSFXBCCZSA-N 0 3 442.516 -0.007 20 0 IBADHN CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)C1(N)CCCC1)C(N)=O ZINC001221231962 1073418964 /nfs/dbraw/zinc/41/89/64/1073418964.db2.gz DHVIVJZDBIGVLI-KBPBESRZSA-N 0 3 429.587 -0.372 20 0 IBADHN CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H]1CNC[C@@H](F)C1)C(N)=O ZINC001221232969 1073419430 /nfs/dbraw/zinc/41/94/30/1073419430.db2.gz QGRGSIARRPPBKP-AJNGGQMLSA-N 0 3 447.577 -0.696 20 0 IBADHN CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H]1CNC[C@H](F)C1)C(N)=O ZINC001221232972 1073419493 /nfs/dbraw/zinc/41/94/93/1073419493.db2.gz QGRGSIARRPPBKP-KBXIAJHMSA-N 0 3 447.577 -0.696 20 0 IBADHN CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H]1CNC[C@@H](F)C1)C(N)=O ZINC001221232973 1073419470 /nfs/dbraw/zinc/41/94/70/1073419470.db2.gz QGRGSIARRPPBKP-QPSCCSFWSA-N 0 3 447.577 -0.696 20 0 IBADHN CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H]1CNC[C@H](F)C1)C(N)=O ZINC001221232975 1073419527 /nfs/dbraw/zinc/41/95/27/1073419527.db2.gz QGRGSIARRPPBKP-XGUBFFRZSA-N 0 3 447.577 -0.696 20 0 IBADHN CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H]1C[C@@H](F)CCN1)C(N)=O ZINC001221233224 1073419418 /nfs/dbraw/zinc/41/94/18/1073419418.db2.gz UWSFVWRUDDIQHV-AJNGGQMLSA-N 0 3 447.577 -0.553 20 0 IBADHN CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)C1(N)CC(F)C1)C(N)=O ZINC001221234099 1073420227 /nfs/dbraw/zinc/42/02/27/1073420227.db2.gz CKOUHODRCQRPEL-MWDZPIOTSA-N 0 3 433.550 -0.814 20 0 IBADHN CCCC[C@H](NC(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)C(C)C)C(=O)CF)C(N)=O ZINC001221234133 1073420312 /nfs/dbraw/zinc/42/03/12/1073420312.db2.gz DTJILWMTCZTVNM-QCQGSNGOSA-N 0 3 431.509 -0.952 20 0 IBADHN CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)C(N)C(F)(F)F)C(N)=O ZINC001221234318 1073420241 /nfs/dbraw/zinc/42/02/41/1073420241.db2.gz DXISYDUSTYWDLE-JBLDHEPKSA-N 0 3 443.492 -0.754 20 0 IBADHN CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)C(N)C(F)(F)F)C(N)=O ZINC001221234322 1073420200 /nfs/dbraw/zinc/42/02/00/1073420200.db2.gz DXISYDUSTYWDLE-NHCYSSNCSA-N 0 3 443.492 -0.754 20 0 IBADHN CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H](N)CC1CCC1)C(N)=O ZINC001221234650 1073420819 /nfs/dbraw/zinc/42/08/19/1073420819.db2.gz JAENAMYHLDDMJU-JYJNAYRXSA-N 0 3 443.614 -0.126 20 0 IBADHN CCCC[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CNC(=O)[C@@H](N)C(C)C)C(N)=O ZINC001221235104 1073420853 /nfs/dbraw/zinc/42/08/53/1073420853.db2.gz RGBMQOUPVXKTPB-LNLFQRSKSA-N 0 3 433.553 -0.026 20 0 IBADHN C[C@H](NC(=O)[C@@H](N)CO)C(=O)N[C@@H](CN)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC001221238685 1073421450 /nfs/dbraw/zinc/42/14/50/1073421450.db2.gz CDBAXZWUMQENKZ-MRFFXTKBSA-N 0 3 440.500 -0.390 20 0 IBADHN C[C@H](NC(=O)[C@@H](N)CO)C(=O)N[C@H](CN)C(=O)OCC1c2ccccc2-c2ccccc21 ZINC001221238687 1073421553 /nfs/dbraw/zinc/42/15/53/1073421553.db2.gz CDBAXZWUMQENKZ-QTJFZDIUSA-N 0 3 440.500 -0.390 20 0 IBADHN CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)NC1CN(C2COC2)C1 ZINC001221246252 1073421502 /nfs/dbraw/zinc/42/15/02/1073421502.db2.gz VMLZSKMHWCOKMB-ICSRJNTNSA-N 0 3 431.537 -0.987 20 0 IBADHN CC(C)(C)OC(=O)CCOCCOCCOCCNC(=O)[C@@H](N)CCCNC(N)=O ZINC001221256896 1073421541 /nfs/dbraw/zinc/42/15/41/1073421541.db2.gz QMIMEFOGYMSNEQ-HNNXBMFYSA-N 0 3 434.534 -0.340 20 0 IBADHN CC(C)(C)OC(=O)CCOCCOCCOCCNC(=O)[C@H](N)CCCNC(N)=O ZINC001221256897 1073421471 /nfs/dbraw/zinc/42/14/71/1073421471.db2.gz QMIMEFOGYMSNEQ-OAHLLOKOSA-N 0 3 434.534 -0.340 20 0 IBADHN CC(C)(C)OC(=O)CCOCCOCCOCCNC(=O)[C@@H]1COC2(CNC2)CN1 ZINC001221256987 1073421521 /nfs/dbraw/zinc/42/15/21/1073421521.db2.gz UDUIJCOFOVXYCR-INIZCTEOSA-N 0 3 431.530 -0.785 20 0 IBADHN CC(C)(C)OC(=O)CCOCCOCCOCCNC(=O)[C@H]1COC2(CNC2)CN1 ZINC001221256988 1073422167 /nfs/dbraw/zinc/42/21/67/1073422167.db2.gz UDUIJCOFOVXYCR-MRXNPFEDSA-N 0 3 431.530 -0.785 20 0 IBADHN CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]1CCCNC(=O)C1 ZINC001221269856 1073422970 /nfs/dbraw/zinc/42/29/70/1073422970.db2.gz ZOQLHPCXQNTXOE-UWVAXJGDSA-N 0 3 431.537 -0.402 20 0 IBADHN CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CCCNC(=O)C1 ZINC001221269857 1073422828 /nfs/dbraw/zinc/42/28/28/1073422828.db2.gz ZOQLHPCXQNTXOE-ZWOKBUDYSA-N 0 3 431.537 -0.402 20 0 IBADHN CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)C(=O)NCC(=O)NCC(F)(F)F ZINC001221278283 1073422911 /nfs/dbraw/zinc/42/29/11/1073422911.db2.gz MYEWBXVPLHQNCA-AVGNSLFASA-N 0 3 437.463 -0.350 20 0 IBADHN C[C@H](N)C(=O)N[C@H](CCC(=O)N[C@H](Cc1ccccc1)C(=O)N1CCCCC1)C(N)=O ZINC001221278530 1073422899 /nfs/dbraw/zinc/42/28/99/1073422899.db2.gz WPHCGIIBIKTJOX-CGTJXYLNSA-N 0 3 431.537 -0.176 20 0 IBADHN C[C@H](N)C(=O)N[C@H](CCC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCCCC1)C(N)=O ZINC001221278531 1073422949 /nfs/dbraw/zinc/42/29/49/1073422949.db2.gz WPHCGIIBIKTJOX-JQHSSLGASA-N 0 3 431.537 -0.176 20 0 IBADHN CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NCc1cnc(Cl)cn1)C(=O)CF ZINC001221319380 1073422771 /nfs/dbraw/zinc/42/27/71/1073422771.db2.gz XYSXMCXCLJJYPH-PKWAYOAASA-N 0 3 444.895 -0.352 20 0 IBADHN Cc1cnc(NC(=O)[C@H](Cc2ccccc2)NC(=O)CNC(=O)[C@@H](N)C(C)C)c(=O)[nH]1 ZINC001221328084 1073423544 /nfs/dbraw/zinc/42/35/44/1073423544.db2.gz ILTCGEKMHDXTFD-RDJZCZTQSA-N 0 3 428.493 -0.156 20 0 IBADHN C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)NCc1ccc(S(=O)(=O)c2ccccc2)cc1 ZINC001221332400 1073423943 /nfs/dbraw/zinc/42/39/43/1073423943.db2.gz ZAJYTNWNCDSGDY-GUYCJALGSA-N 0 3 432.502 -0.157 20 0 IBADHN CC(C)C[C@H](N)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCN1CCCS1(=O)=O ZINC001221335003 1073423961 /nfs/dbraw/zinc/42/39/61/1073423961.db2.gz ANIJPLGTEDHSBD-ROUUACIJSA-N 0 3 440.566 -0.055 20 0 IBADHN CSCC[C@H](N)C(=O)N[C@@H](CCSC)C(=O)NCCN1CCCS1(=O)=O ZINC001221335273 1073423915 /nfs/dbraw/zinc/42/39/15/1073423915.db2.gz GUJWTSAEEOIRPO-STQMWFEESA-N 0 3 426.630 -0.544 20 0 IBADHN COC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CCS(=O)(=O)C12CNC2 ZINC001221336244 1073423796 /nfs/dbraw/zinc/42/37/96/1073423796.db2.gz GQCXLSXKGABDAT-JYJNAYRXSA-N 0 3 445.582 -0.002 20 0 IBADHN COC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(=O)[C@H]1CCS(=O)(=O)C12CNC2 ZINC001221336247 1073423476 /nfs/dbraw/zinc/42/34/76/1073423476.db2.gz GQCXLSXKGABDAT-PMPSAXMXSA-N 0 3 445.582 -0.002 20 0 IBADHN CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)C(=O)NCCN1CCCS1(=O)=O ZINC001221337059 1073423708 /nfs/dbraw/zinc/42/37/08/1073423708.db2.gz ORHHQMCJFWWDGB-JYJNAYRXSA-N 0 3 445.586 -0.993 20 0 IBADHN Cn1c(C(=O)N(CCC[C@H](N)C(=O)SCc2ccccc2)C(=N)N)cc(=O)n(C)c1=O ZINC001221343655 1073424661 /nfs/dbraw/zinc/42/46/61/1073424661.db2.gz PJPQYVCAPRIMTB-AWEZNQCLSA-N 0 3 446.533 -0.013 20 0 IBADHN Cn1cc(C(=O)N(CCC[C@H](N)C(=O)SCc2ccccc2)C(=N)N)c(=O)n(C)c1=O ZINC001221343718 1073424805 /nfs/dbraw/zinc/42/48/05/1073424805.db2.gz SGJWKJXGWYFHEQ-HNNXBMFYSA-N 0 3 446.533 -0.013 20 0 IBADHN NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](N)Cc1c[nH]c2ncccc12 ZINC001221347745 1073424635 /nfs/dbraw/zinc/42/46/35/1073424635.db2.gz CJLSBOPQKJIUFY-ULQDDVLXSA-N 0 3 438.492 -0.640 20 0 IBADHN NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H]1CC[C@H](C(F)(F)F)CN1 ZINC001221347836 1073424734 /nfs/dbraw/zinc/42/47/34/1073424734.db2.gz DMRIWXSKZVVRKJ-GHYVTOPFSA-N 0 3 430.431 -0.156 20 0 IBADHN NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CC[C@H](C(F)(F)F)CN1 ZINC001221347840 1073424760 /nfs/dbraw/zinc/42/47/60/1073424760.db2.gz DMRIWXSKZVVRKJ-PYJNHQTQSA-N 0 3 430.431 -0.156 20 0 IBADHN NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]1CC[C@@H](C(F)(F)F)CN1 ZINC001221347842 1073425316 /nfs/dbraw/zinc/42/53/16/1073425316.db2.gz DMRIWXSKZVVRKJ-SAXRGWBVSA-N 0 3 430.431 -0.156 20 0 IBADHN NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H]1CC[C@@H](C(F)(F)F)CN1 ZINC001221347843 1073425497 /nfs/dbraw/zinc/42/54/97/1073425497.db2.gz DMRIWXSKZVVRKJ-ZZVYKPCYSA-N 0 3 430.431 -0.156 20 0 IBADHN CCOc1ccc(C[C@H](N)C(=O)N[C@@H](Cc2cnc[nH]2)C(=O)N2CCC[C@H]2C(N)=O)cc1 ZINC001221348170 1073425513 /nfs/dbraw/zinc/42/55/13/1073425513.db2.gz HSCGYEVVSQFOTP-FHWLQOOXSA-N 0 3 442.520 -0.118 20 0 IBADHN CCOc1ccc(C[C@H](N)C(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N2CCC[C@H]2C(N)=O)cc1 ZINC001221348170 1073425512 /nfs/dbraw/zinc/42/55/12/1073425512.db2.gz HSCGYEVVSQFOTP-FHWLQOOXSA-N 0 3 442.520 -0.118 20 0 IBADHN CN[C@@H](CC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(N)=O ZINC001221348192 1073425413 /nfs/dbraw/zinc/42/54/13/1073425413.db2.gz IBZYAGTZNYENKM-KKUMJFAQSA-N 0 3 436.513 -0.767 20 0 IBADHN CC(C)(C)OC(=O)CC[C@@H](N)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(N)=O ZINC001221348369 1073425520 /nfs/dbraw/zinc/42/55/20/1073425520.db2.gz ILKKKRTWRWEIIX-ILXRZTDVSA-N 0 3 436.513 -0.638 20 0 IBADHN NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@]1(N)CCc2cc(F)ccc2C1 ZINC001221348370 1073425400 /nfs/dbraw/zinc/42/54/00/1073425400.db2.gz IPMNVHNIOBVVGS-NPPFBWRTSA-N 0 3 442.495 -0.061 20 0 IBADHN NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@]1(N)CCc2cc(F)ccc2C1 ZINC001221348372 1073425460 /nfs/dbraw/zinc/42/54/60/1073425460.db2.gz IPMNVHNIOBVVGS-SPEDKVCISA-N 0 3 442.495 -0.061 20 0 IBADHN NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](N)C1CCC2(CC1)OCCO2 ZINC001221348808 1073425346 /nfs/dbraw/zinc/42/53/46/1073425346.db2.gz NDUQGPVQNMERKS-ULQDDVLXSA-N 0 3 448.524 -0.826 20 0 IBADHN NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@H](N)C1CCC2(CC1)OCCO2 ZINC001221348809 1073425311 /nfs/dbraw/zinc/42/53/11/1073425311.db2.gz NDUQGPVQNMERKS-YESZJQIVSA-N 0 3 448.524 -0.826 20 0 IBADHN NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H](N)Cc1cc(F)cc(F)c1 ZINC001221348846 1073426170 /nfs/dbraw/zinc/42/61/70/1073426170.db2.gz OJYFLPRRHVMQBJ-ULQDDVLXSA-N 0 3 434.447 -0.239 20 0 IBADHN C[C@@H](OCc1ccccc1)[C@H](N)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001221348901 1073426134 /nfs/dbraw/zinc/42/61/34/1073426134.db2.gz PXMKJYKXCQNMMO-FCLVOEFKSA-N 0 3 442.520 -0.154 20 0 IBADHN NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@H]1NCCC[C@H]1C(F)(F)F ZINC001221349127 1073426101 /nfs/dbraw/zinc/42/61/01/1073426101.db2.gz REBURNVYEGSZNA-RFGFWPKPSA-N 0 3 430.431 -0.156 20 0 IBADHN NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](N)CCOCc1ccccc1 ZINC001221349223 1073426321 /nfs/dbraw/zinc/42/63/21/1073426321.db2.gz UFXXQAPMQGDYQK-FHWLQOOXSA-N 0 3 442.520 -0.153 20 0 IBADHN COc1ccc([C@@H](N)CC(=O)N[C@@H](Cc2c[nH]cn2)C(=O)N2CCC[C@H]2C(N)=O)cn1 ZINC001221349335 1073426368 /nfs/dbraw/zinc/42/63/68/1073426368.db2.gz VSBSOBWWODVHGD-JYJNAYRXSA-N 0 3 429.481 -0.593 20 0 IBADHN CN[C@@H](COCc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(N)=O ZINC001221349544 1073426401 /nfs/dbraw/zinc/42/64/01/1073426401.db2.gz YPPUSBLDJXRMIJ-FHWLQOOXSA-N 0 3 442.520 -0.282 20 0 IBADHN COC(=O)[C@H](Cc1ccc(Br)cn1)NC(=O)[C@H]1CCS(=O)(=O)C12CNC2 ZINC001221360143 1073426739 /nfs/dbraw/zinc/42/67/39/1073426739.db2.gz FNDYFRMTECCEQV-OLZOCXBDSA-N 0 3 446.323 -0.179 20 0 IBADHN COC(=O)[C@H](Cc1ccc(Br)cn1)NC(=O)[C@@H]1CCS(=O)(=O)C12CNC2 ZINC001221360144 1073427673 /nfs/dbraw/zinc/42/76/73/1073427673.db2.gz FNDYFRMTECCEQV-STQMWFEESA-N 0 3 446.323 -0.179 20 0 IBADHN COC(=O)C[C@H](NC(=O)[C@H](CC(N)=O)NC(=O)[C@H](C)N)c1ccc(Br)cc1 ZINC001221364989 1073427614 /nfs/dbraw/zinc/42/76/14/1073427614.db2.gz RWFIZCVCIZUCHB-XDTLVQLUSA-N 0 3 443.298 -0.123 20 0 IBADHN CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@H]1CNC(=O)C1(C)C ZINC001221368960 1073427715 /nfs/dbraw/zinc/42/77/15/1073427715.db2.gz IWJNTJZHVMPWMJ-BQFCYCMXSA-N 0 3 431.537 -0.546 20 0 IBADHN CC(C)[C@H](N)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H]1CNC(=O)C1(C)C ZINC001221368964 1073427680 /nfs/dbraw/zinc/42/76/80/1073427680.db2.gz IWJNTJZHVMPWMJ-JZXOWHBKSA-N 0 3 431.537 -0.546 20 0 IBADHN COc1ccc(CN2C[C@@H](NC(=O)[C@H]3CCS(=O)(=O)C34CNC4)CC2=O)c(OC)c1 ZINC001221368974 1073427635 /nfs/dbraw/zinc/42/76/35/1073427635.db2.gz IYOPBRBPIORFJC-GOEBONIOSA-N 0 3 437.518 -0.302 20 0 IBADHN COc1ccc(CN2C[C@@H](NC(=O)[C@@H]3CCS(=O)(=O)C34CNC4)CC2=O)c(OC)c1 ZINC001221368975 1073427685 /nfs/dbraw/zinc/42/76/85/1073427685.db2.gz IYOPBRBPIORFJC-HOCLYGCPSA-N 0 3 437.518 -0.302 20 0 IBADHN COc1ccc(CN2C[C@@H](NC(=O)CC[C@@H](NC(=O)[C@H](C)N)C(N)=O)CC2=O)c(OC)c1 ZINC001221369576 1073427711 /nfs/dbraw/zinc/42/77/11/1073427711.db2.gz LTRYPOCSHVUFDR-DUVNUKRYSA-N 0 3 449.508 -0.982 20 0 IBADHN CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N1CCC(C2=CC=C(N)CN2)CC1 ZINC001221391151 1073428864 /nfs/dbraw/zinc/42/88/64/1073428864.db2.gz CCKWOZDYLGHOSJ-IHRRRGAJSA-N 0 3 434.541 -0.911 20 0 IBADHN CC(C)[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](CC(=O)NCCOc1ccncc1)C(=O)CF ZINC001221394131 1073428814 /nfs/dbraw/zinc/42/88/14/1073428814.db2.gz WLXWEDHLRGLHSL-YEWWUXTCSA-N 0 3 439.488 -0.522 20 0 IBADHN Cc1ccc(S(=O)(=O)n2cnc(C[C@@H](N)C(=O)NC3(CO)CCN(C)CC3)c2)cc1 ZINC001221402574 1073428924 /nfs/dbraw/zinc/42/89/24/1073428924.db2.gz IMDXURMIWHJSPR-GOSISDBHSA-N 0 3 435.550 -0.129 20 0 IBADHN CN(C)CCN1CCN(C(=O)NCCC(=O)N2CCN(c3ccccn3)CC2)CC1=O ZINC001221554625 1073430259 /nfs/dbraw/zinc/43/02/59/1073430259.db2.gz CZWVBMJJTRGELD-UHFFFAOYSA-N 0 3 431.541 -0.464 20 0 IBADHN CN(C)CCN(CC(=O)N(C)C)C(=O)NCCC(=O)N1CCN(c2ccccn2)CC1 ZINC001221555060 1073430279 /nfs/dbraw/zinc/43/02/79/1073430279.db2.gz TXLZQYWZMGUTEX-UHFFFAOYSA-N 0 3 433.557 -0.218 20 0 IBADHN O=C(NCC1(N2CCOCC2)CCOCC1)N[C@H]1CCN(CCN2CCOCC2)C1 ZINC001221891590 1073432625 /nfs/dbraw/zinc/43/26/25/1073432625.db2.gz CTQLVXBMIBCUEE-IBGZPJMESA-N 0 3 425.574 -0.427 20 0 IBADHN O=C(NCC1(N2CCOCC2)CCOCC1)N[C@@H]1CCN(CCN2CCOCC2)C1 ZINC001221891591 1073432883 /nfs/dbraw/zinc/43/28/83/1073432883.db2.gz CTQLVXBMIBCUEE-LJQANCHMSA-N 0 3 425.574 -0.427 20 0 IBADHN COCCNS(=O)(=O)c1cccc(CNC(=O)N2CN(CCN(C)C)C(=O)[C@@H]2C)c1 ZINC001222120567 1073434525 /nfs/dbraw/zinc/43/45/25/1073434525.db2.gz OEAYXUFQQUEMMH-HNNXBMFYSA-N 0 3 441.554 -0.127 20 0 IBADHN COCCNS(=O)(=O)c1cccc(CNC(=O)N2CN(CCN(C)C)C(=O)[C@H]2C)c1 ZINC001222120568 1073434441 /nfs/dbraw/zinc/43/44/41/1073434441.db2.gz OEAYXUFQQUEMMH-OAHLLOKOSA-N 0 3 441.554 -0.127 20 0 IBADHN CN(C)S(=O)(=O)N1CC(NC(=O)NCCCN2CCN(Cc3ccccc3)CC2)C1 ZINC001222150703 1073435166 /nfs/dbraw/zinc/43/51/66/1073435166.db2.gz CGRCULVRSNKWPN-UHFFFAOYSA-N 0 3 438.598 -0.016 20 0 IBADHN NC(=O)C1(N2CCCCC2)CCN(C(=O)NCCNS(=O)(=O)c2cccnc2)CC1 ZINC001224539090 1073440123 /nfs/dbraw/zinc/44/01/23/1073440123.db2.gz VVEZJQYQVGZEIN-UHFFFAOYSA-N 0 3 438.554 -0.125 20 0 IBADHN CN(C)CCN1CCN(C(=O)NCCN2CCN(C(=O)OC(C)(C)C)CC2)CC1=O ZINC001225396908 1073442304 /nfs/dbraw/zinc/44/23/04/1073442304.db2.gz YSVQCWUVNDPKSM-UHFFFAOYSA-N 0 3 426.562 -0.046 20 0 IBADHN CN1CCN(Cc2cccc(CNC(=O)NC[C@]34COCCN3C(=O)COC4)c2)CC1 ZINC001226496788 1073444930 /nfs/dbraw/zinc/44/49/30/1073444930.db2.gz KSLNFKQLXVGAHO-JOCHJYFZSA-N 0 3 431.537 -0.139 20 0 IBADHN CN1CCN(Cc2cccc(CNC(=O)NC[C@@]34COCCN3C(=O)COC4)c2)CC1 ZINC001226496791 1073445104 /nfs/dbraw/zinc/44/51/04/1073445104.db2.gz KSLNFKQLXVGAHO-QFIPXVFZSA-N 0 3 431.537 -0.139 20 0 IBADHN CN(C)CCN1CCN(C(=O)NCc2cccnc2N2CCC(C(N)=O)CC2)CC1=O ZINC001226946888 1073446479 /nfs/dbraw/zinc/44/64/79/1073446479.db2.gz MZOHECZBCQBTLH-UHFFFAOYSA-N 0 3 431.541 -0.301 20 0 IBADHN COc1ccc(S(=O)(=O)N2CC(NC(=O)N3CN(CCN(C)C)C(=O)[C@@H]3C)C2)cc1 ZINC001227960820 1073454615 /nfs/dbraw/zinc/45/46/15/1073454615.db2.gz FNQWJSNDOMAGTP-AWEZNQCLSA-N 0 3 439.538 -0.171 20 0 IBADHN COc1ccc(S(=O)(=O)N2CC(NC(=O)N3CN(CCN(C)C)C(=O)[C@H]3C)C2)cc1 ZINC001227960845 1073454472 /nfs/dbraw/zinc/45/44/72/1073454472.db2.gz FNQWJSNDOMAGTP-CQSZACIVSA-N 0 3 439.538 -0.171 20 0 IBADHN CN1CC[C@@]2(CN(S(C)(=O)=O)CC23CCN(Cc2c[nH]c(=O)[nH]c2=O)CC3)C1=O ZINC001231701102 1073468943 /nfs/dbraw/zinc/46/89/43/1073468943.db2.gz PBCIKIOATOSRBP-GOSISDBHSA-N 0 3 425.511 -0.406 20 0 IBADHN CN1CC[C@]2(CN(S(C)(=O)=O)CC23CCN(Cc2c[nH]c(=O)[nH]c2=O)CC3)C1=O ZINC001231701108 1073468870 /nfs/dbraw/zinc/46/88/70/1073468870.db2.gz PBCIKIOATOSRBP-SFHVURJKSA-N 0 3 425.511 -0.406 20 0 IBADHN Cn1cc(CN2CCOC[C@]3(CC[C@H](CNC(=O)c4cnccn4)O3)C2)c(=O)n(C)c1=O ZINC001231766984 1073469010 /nfs/dbraw/zinc/46/90/10/1073469010.db2.gz FYUKJPDFEIIBMU-IERDGZPVSA-N 0 3 444.492 -0.946 20 0 IBADHN Cn1cc(CN2CCOC[C@]3(CC[C@@H](CNC(=O)c4cnccn4)O3)C2)c(=O)n(C)c1=O ZINC001231766985 1073468811 /nfs/dbraw/zinc/46/88/11/1073468811.db2.gz FYUKJPDFEIIBMU-KKSFZXQISA-N 0 3 444.492 -0.946 20 0 IBADHN CC(=O)N1CC(=O)N(c2ccccc2)C[C@]12CCN(Cc1cn(C)c(=O)n(C)c1=O)C2 ZINC001231767030 1073468749 /nfs/dbraw/zinc/46/87/49/1073468749.db2.gz GPISLVRWDPOVLA-JOCHJYFZSA-N 0 3 425.489 -0.076 20 0 IBADHN CC(=O)N1CC(=O)N(c2ccccc2)C[C@@]12CCN(Cc1cn(C)c(=O)n(C)c1=O)C2 ZINC001231767035 1073468899 /nfs/dbraw/zinc/46/88/99/1073468899.db2.gz GPISLVRWDPOVLA-QFIPXVFZSA-N 0 3 425.489 -0.076 20 0 IBADHN CC(=O)N1CC(=O)N(c2cccnc2)C[C@@]12CCN(Cc1cn(C)c(=O)n(C)c1=O)C2 ZINC001231767459 1073468922 /nfs/dbraw/zinc/46/89/22/1073468922.db2.gz IHJJPLNFNFQMDI-NRFANRHFSA-N 0 3 426.477 -0.681 20 0 IBADHN CC(=O)N1CC(=O)N(c2cccnc2)C[C@]12CCN(Cc1cn(C)c(=O)n(C)c1=O)C2 ZINC001231767462 1073468839 /nfs/dbraw/zinc/46/88/39/1073468839.db2.gz IHJJPLNFNFQMDI-OAQYLSRUSA-N 0 3 426.477 -0.681 20 0 IBADHN Cn1ccnc1C(=O)NCc1cnc2n1CCN(Cc1cn(C)c(=O)n(C)c1=O)CC2 ZINC001231769557 1073470316 /nfs/dbraw/zinc/47/03/16/1073470316.db2.gz RJYKABIJLKXLAA-UHFFFAOYSA-N 0 3 426.481 -0.998 20 0 IBADHN Cn1cc(C(=O)NCc2cnc3n2CCN(Cc2cn(C)c(=O)n(C)c2=O)CC3)cn1 ZINC001231769734 1073470430 /nfs/dbraw/zinc/47/04/30/1073470430.db2.gz WVZHWBHDHDJDPO-UHFFFAOYSA-N 0 3 426.481 -0.998 20 0 IBADHN COc1ccc(CN2C(=O)N[C@]3(CCN(Cc4cn(C)c(=O)n(C)c4=O)C3)C2=O)cc1 ZINC001231773392 1073470370 /nfs/dbraw/zinc/47/03/70/1073470370.db2.gz KIBDADLZKUZBJT-NRFANRHFSA-N 0 3 427.461 -0.211 20 0 IBADHN COc1ccc(CN2C(=O)N[C@@]3(CCN(Cc4cn(C)c(=O)n(C)c4=O)C3)C2=O)cc1 ZINC001231773407 1073471314 /nfs/dbraw/zinc/47/13/14/1073471314.db2.gz KIBDADLZKUZBJT-OAQYLSRUSA-N 0 3 427.461 -0.211 20 0 IBADHN O=C([C@@H]1CCS(=O)(=O)[C@@H]2CN(Cc3nc4c(s3)CNCC4)C[C@@H]21)N1CCOCC1 ZINC001235548690 1073478738 /nfs/dbraw/zinc/47/87/38/1073478738.db2.gz BJFUCRRRKVARQZ-CKEIUWERSA-N 0 3 440.591 -0.117 20 0 IBADHN O=C([C@H]1CCS(=O)(=O)[C@@H]2CN(Cc3nc4c(s3)CNCC4)C[C@@H]21)N1CCOCC1 ZINC001235548693 1073478710 /nfs/dbraw/zinc/47/87/10/1073478710.db2.gz BJFUCRRRKVARQZ-JJRVBVJISA-N 0 3 440.591 -0.117 20 0 IBADHN CC1(C)O[C@@H]2O[C@@H](CN3CCC4(C[C@@H](C(=O)N5CCOCC5)CO4)CC3)[C@@H](O)[C@@H]2O1 ZINC001235610377 1073480645 /nfs/dbraw/zinc/48/06/45/1073480645.db2.gz BEFYXTVBGJPTTF-BCDMZGRMSA-N 0 3 426.510 -0.046 20 0 IBADHN CC1(C)O[C@@H]2O[C@@H](CN3CCC4(C[C@H](C(=O)N5CCOCC5)CO4)CC3)[C@@H](O)[C@@H]2O1 ZINC001235610382 1073480716 /nfs/dbraw/zinc/48/07/16/1073480716.db2.gz BEFYXTVBGJPTTF-LVEJAMMSSA-N 0 3 426.510 -0.046 20 0 IBADHN CN(C)C(=O)CN1C[C@H]2CCN(C[C@@H]3O[C@H]4OC(C)(C)O[C@H]4[C@@H]3O)CC[C@H]2S1(=O)=O ZINC001235626346 1073480622 /nfs/dbraw/zinc/48/06/22/1073480622.db2.gz VZVWEVMJWDQAIW-JZUIEXCESA-N 0 3 447.554 -0.962 20 0 IBADHN CC1(C)O[C@@H]2O[C@@H](CN3CCC[C@]4(CO[C@@H](C(=O)N5CCOCC5)C4)C3)[C@@H](O)[C@@H]2O1 ZINC001235657662 1073480537 /nfs/dbraw/zinc/48/05/37/1073480537.db2.gz OVZYAUFGPXIDLQ-DUXSEINCSA-N 0 3 426.510 -0.046 20 0 IBADHN CC1(C)O[C@@H]2O[C@@H](CN3CCC[C@]4(CO[C@H](C(=O)N5CCOCC5)C4)C3)[C@@H](O)[C@@H]2O1 ZINC001235657664 1073480687 /nfs/dbraw/zinc/48/06/87/1073480687.db2.gz OVZYAUFGPXIDLQ-JWNLHXJRSA-N 0 3 426.510 -0.046 20 0 IBADHN CC1(C)O[C@@H]2O[C@@H](CN3CCC[C@@]4(CO[C@@H](C(=O)N5CCOCC5)C4)C3)[C@@H](O)[C@@H]2O1 ZINC001235657665 1073480459 /nfs/dbraw/zinc/48/04/59/1073480459.db2.gz OVZYAUFGPXIDLQ-VYUOOHEOSA-N 0 3 426.510 -0.046 20 0 IBADHN CC1(C)O[C@@H]2O[C@@H](CN3CCC[C@@]4(CO[C@H](C(=O)N5CCOCC5)C4)C3)[C@@H](O)[C@@H]2O1 ZINC001235657666 1073481479 /nfs/dbraw/zinc/48/14/79/1073481479.db2.gz OVZYAUFGPXIDLQ-ZPZURBKOSA-N 0 3 426.510 -0.046 20 0 IBADHN CN(C)CCN1CCN(C(=O)NCc2c(I)cnn2C)CC1=O ZINC001235704344 1073481130 /nfs/dbraw/zinc/48/11/30/1073481130.db2.gz IWGPOGOPFYXMFG-UHFFFAOYSA-N 0 3 434.282 -0.060 20 0 IBADHN CC(C)C[C@H](NC(=O)[C@@H]1CCCN1Cc1nc2c(s1)CNCC2)C(=O)NCC(N)=O ZINC001235882447 1073481391 /nfs/dbraw/zinc/48/13/91/1073481391.db2.gz MCRDIMIZFLFBMP-GJZGRUSLSA-N 0 3 436.582 -0.114 20 0 IBADHN COC(=O)[C@H](CN)NS(=O)(=O)c1ccc(NC(=O)N2CCN(C)CC2)cc1Cl ZINC001238035268 1073482752 /nfs/dbraw/zinc/48/27/52/1073482752.db2.gz DPVRQFXNTLMJOC-ZDUSSCGKSA-N 0 3 433.918 -0.102 20 0 IBADHN CCOc1ccc(NC(=O)N2CCOCC2)cc1S(=O)(=O)N[C@@H](CN)C(=O)OC ZINC001238035294 1073482668 /nfs/dbraw/zinc/48/26/68/1073482668.db2.gz FBBVOLDGSUPVCG-ZDUSSCGKSA-N 0 3 430.483 -0.272 20 0 IBADHN CCOc1ccc(NC(=O)N2CCOCC2)cc1S(=O)(=O)N[C@@H]1CNCC[C@H]1O ZINC001238045719 1073482793 /nfs/dbraw/zinc/48/27/93/1073482793.db2.gz ZJWNCTSSUXPXLX-HUUCEWRRSA-N 0 3 428.511 -0.050 20 0 IBADHN O=S(=O)(NC1C[C@@H]2COC[C@H](C1)N2)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC001238288406 1073484274 /nfs/dbraw/zinc/48/42/74/1073484274.db2.gz HKNQOZPJPXXZHU-GOOCMWNKSA-N 0 3 431.536 -0.495 20 0 IBADHN O=S(=O)(NC[C@@H]1CC[C@H]2NCCO[C@@H]21)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC001238323586 1073485060 /nfs/dbraw/zinc/48/50/60/1073485060.db2.gz CYOMKSNVFHAJPG-BMGDILEWSA-N 0 3 445.563 -0.247 20 0 IBADHN O=S(=O)(NC[C@@H]1CC[C@@H]2NCCO[C@H]12)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC001238323747 1073485082 /nfs/dbraw/zinc/48/50/82/1073485082.db2.gz CYOMKSNVFHAJPG-JCGIZDLHSA-N 0 3 445.563 -0.247 20 0 IBADHN O=S(=O)(NC[C@@H]1CC[C@H]2NCCO[C@H]21)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC001238323753 1073485104 /nfs/dbraw/zinc/48/51/04/1073485104.db2.gz CYOMKSNVFHAJPG-QGTPRVQTSA-N 0 3 445.563 -0.247 20 0 IBADHN O=S(=O)(NC[C@@H]1CC[C@@H]2NCCO[C@@H]12)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC001238323761 1073485020 /nfs/dbraw/zinc/48/50/20/1073485020.db2.gz CYOMKSNVFHAJPG-WBAXXEDZSA-N 0 3 445.563 -0.247 20 0 IBADHN O=S(=O)(N[C@H]1CC[C@@H]2NCCO[C@@H]12)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC001238328000 1073484886 /nfs/dbraw/zinc/48/48/86/1073484886.db2.gz RMRJBPBHSASOPR-YESZJQIVSA-N 0 3 431.536 -0.495 20 0 IBADHN [NH3+]CCCOCCOCCOCCCNS(=O)(=O)c1ccc(-c2nn[n-]n2)cc1 ZINC001238436985 1073485895 /nfs/dbraw/zinc/48/58/95/1073485895.db2.gz ANZPCFVQILCFDA-UHFFFAOYSA-N 0 3 428.515 -0.066 20 0 IBADHN [NH3+]CCCOCCOCCOCCCNS(=O)(=O)c1ccc(-c2nnn[n-]2)cc1 ZINC001238436985 1073485894 /nfs/dbraw/zinc/48/58/94/1073485894.db2.gz ANZPCFVQILCFDA-UHFFFAOYSA-N 0 3 428.515 -0.066 20 0 IBADHN Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]CCOCCOCCOCCOCC[NH3+] ZINC001238455842 1073486321 /nfs/dbraw/zinc/48/63/21/1073486321.db2.gz OYILUPYHBVOXJE-UHFFFAOYSA-N 0 3 428.939 -0.315 20 0 IBADHN COc1nc(S(=O)(=O)[N-]CCOCCOCCOCCOCC[NH3+])ccc1F ZINC001238468114 1073486505 /nfs/dbraw/zinc/48/65/05/1073486505.db2.gz FQLMUFYEEGLQEX-UHFFFAOYSA-N 0 3 425.479 -0.467 20 0 IBADHN CC(=O)Nc1ncc(S(=O)(=O)[N-]CCOCCOCCOCCOCC[NH3+])s1 ZINC001238469058 1073487161 /nfs/dbraw/zinc/48/71/61/1073487161.db2.gz SDSDFIOICMRCTC-UHFFFAOYSA-N 0 3 440.544 -0.595 20 0 IBADHN [NH3+]CCOCCOCCOCCOCCOCCNS(=O)(=O)c1ccc([O-])cc1 ZINC001238594201 1073487720 /nfs/dbraw/zinc/48/77/20/1073487720.db2.gz DFCQNCYMVFYUOX-UHFFFAOYSA-N 0 3 436.527 -0.288 20 0 IBADHN Cc1oncc1S(=O)(=O)[N-]CCOCCOCCOCCOCCOCC[NH3+] ZINC001238595305 1073488430 /nfs/dbraw/zinc/48/84/30/1073488430.db2.gz LVORPSOITCOYRH-UHFFFAOYSA-N 0 3 425.504 -0.697 20 0 IBADHN Cc1noc(C)c1S(=O)(=O)[N-]CCOCCOCCOCCOCCOCC[NH3+] ZINC001238595839 1073488319 /nfs/dbraw/zinc/48/83/19/1073488319.db2.gz PQWWCLLWGKQUML-UHFFFAOYSA-N 0 3 439.531 -0.389 20 0 IBADHN CCOC(=O)C1=C(NS(=O)(=O)c2ccc(S(=O)(=O)N3CCOCC3)cc2)CNC1 ZINC001238779748 1073489241 /nfs/dbraw/zinc/48/92/41/1073489241.db2.gz COGSONRPBWZXKP-UHFFFAOYSA-N 0 3 445.519 -0.594 20 0 IBADHN O=S(=O)(N[C@H]1C[C@@H]2COC[C@H](C1)N2)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC001238827816 1073489805 /nfs/dbraw/zinc/48/98/05/1073489805.db2.gz HKNQOZPJPXXZHU-QDMKHBRRSA-N 0 3 431.536 -0.495 20 0 IBADHN Cc1cc(=O)oc2cc(NC(=O)[C@H](CC(N)=O)[N-]S(=O)(=O)C3CC[NH2+]CC3)ccc12 ZINC001238828417 1073489924 /nfs/dbraw/zinc/48/99/24/1073489924.db2.gz QOOJVCLCVXWHJE-HNNXBMFYSA-N 0 3 436.490 -0.045 20 0 IBADHN Cc1cc(=O)oc2cc(NC(=O)[C@H](CCC(N)=O)[N-]S(=O)(=O)[C@@H]3CC[NH2+]C3)ccc12 ZINC001238869024 1073489917 /nfs/dbraw/zinc/48/99/17/1073489917.db2.gz ARJYELGTKCASRG-HIFRSBDPSA-N 0 3 436.490 -0.045 20 0 IBADHN Cc1cc(=O)oc2cc(NC(=O)[C@H](CCC(N)=O)[N-]S(=O)(=O)[C@H]3CC[NH2+]C3)ccc12 ZINC001238869028 1073489910 /nfs/dbraw/zinc/48/99/10/1073489910.db2.gz ARJYELGTKCASRG-ZFWWWQNUSA-N 0 3 436.490 -0.045 20 0 IBADHN CC(C)(C)OC(=O)CCOCCOCCOCCOCCNS(=O)(=O)CCN ZINC001238884836 1073489834 /nfs/dbraw/zinc/48/98/34/1073489834.db2.gz DIVCCTSULJPEEL-UHFFFAOYSA-N 0 3 428.548 -0.337 20 0 IBADHN Cc1cc(=O)oc2cc(NC(=O)[C@@H]3CCCN3C(=O)CNS(=O)(=O)CCN)ccc12 ZINC001238899233 1073490712 /nfs/dbraw/zinc/49/07/12/1073490712.db2.gz IMRJBEKNGFFDKU-HNNXBMFYSA-N 0 3 436.490 -0.091 20 0 IBADHN O=C(Nc1ccc(S(=O)(=O)N2CCOC[C@]3(CNCCO3)C2)cc1)N1CCOCC1 ZINC001238998406 1073491236 /nfs/dbraw/zinc/49/12/36/1073491236.db2.gz APVMKGNNEUMNBQ-IBGZPJMESA-N 0 3 440.522 -0.070 20 0 IBADHN O=C(Nc1ccc(S(=O)(=O)N2CCOC[C@@]3(CNCCO3)C2)cc1)N1CCOCC1 ZINC001238998409 1073491244 /nfs/dbraw/zinc/49/12/44/1073491244.db2.gz APVMKGNNEUMNBQ-LJQANCHMSA-N 0 3 440.522 -0.070 20 0 IBADHN O=S(=O)(c1ccc(S(=O)(=O)N2CCC3(CC2)CNCCO3)cc1)N1CCOCC1 ZINC001239001041 1073491339 /nfs/dbraw/zinc/49/13/39/1073491339.db2.gz RELUBLSUKVZDSK-UHFFFAOYSA-N 0 3 445.563 -0.149 20 0 IBADHN O=S(=O)(c1ccc(S(=O)(=O)N2CC[C@@H]3NCCO[C@H]3C2)cc1)N1CCOCC1 ZINC001239013455 1073492108 /nfs/dbraw/zinc/49/21/08/1073492108.db2.gz DGKVSGKKAMNZSL-IRXDYDNUSA-N 0 3 431.536 -0.541 20 0 IBADHN NCCS(=O)(=O)N1CCC[C@]2(C(=O)N3CCOCC3)CN(c3ncccn3)C[C@@H]2C1 ZINC001239062251 1073492582 /nfs/dbraw/zinc/49/25/82/1073492582.db2.gz YRNYTVQSOKFMPJ-APWZRJJASA-N 0 3 438.554 -0.858 20 0 IBADHN NCCS(=O)(=O)N1C[C@H]2C[C@H]3[C@@](CN(Cc4ccc(Cl)cc4)S3(=O)=O)(C1)O2 ZINC001239073882 1073493312 /nfs/dbraw/zinc/49/33/12/1073493312.db2.gz HTOBJUAGKRBQHX-PMPSAXMXSA-N 0 3 435.955 -0.014 20 0 IBADHN COCCN1[C@H]2CCN(S(=O)(=O)CCN)CC[C@@H]2Oc2ccccc2S1(=O)=O ZINC001239075165 1073493178 /nfs/dbraw/zinc/49/31/78/1073493178.db2.gz CUYDZIAEOCIKSW-GJZGRUSLSA-N 0 3 433.552 -0.162 20 0 IBADHN C[C@H]1CCCN(c2ncc3c(n2)[C@H]2CN(S(=O)(=O)CCN)C[C@H]2S(=O)(=O)C3)C1 ZINC001239081762 1073494558 /nfs/dbraw/zinc/49/45/58/1073494558.db2.gz OQVGAIKPXUBHCC-AEGPPILISA-N 0 3 429.568 -0.302 20 0 IBADHN C[C@@H]1CCCN(c2ncc3c(n2)[C@H]2CN(S(=O)(=O)CCN)C[C@H]2S(=O)(=O)C3)C1 ZINC001239081771 1073494586 /nfs/dbraw/zinc/49/45/86/1073494586.db2.gz OQVGAIKPXUBHCC-VHDGCEQUSA-N 0 3 429.568 -0.302 20 0 IBADHN COC(=O)[C@@H]1C[C@H](NCCS(=O)(=O)N2CCNCC2)CCN1C(=O)c1ccccc1 ZINC001246102962 1073504972 /nfs/dbraw/zinc/50/49/72/1073504972.db2.gz ULNDEOSIPHPUSP-MSOLQXFVSA-N 0 3 438.550 -0.343 20 0 IBADHN COC(=O)[C@H]1C[C@H](NCCS(=O)(=O)N2CCNCC2)CCN1C(=O)c1ccccc1 ZINC001246102972 1073505252 /nfs/dbraw/zinc/50/52/52/1073505252.db2.gz ULNDEOSIPHPUSP-QZTJIDSGSA-N 0 3 438.550 -0.343 20 0 IBADHN COC(=O)[C@@H]1C[C@@H](NCCS(=O)(=O)N2CCNCC2)CCN1C(=O)c1ccccc1 ZINC001246102974 1073505031 /nfs/dbraw/zinc/50/50/31/1073505031.db2.gz ULNDEOSIPHPUSP-ROUUACIJSA-N 0 3 438.550 -0.343 20 0 IBADHN COC(=O)[C@H]1C[C@@H](NCCS(=O)(=O)N2CCNCC2)CCN1C(=O)c1ccccc1 ZINC001246102978 1073505108 /nfs/dbraw/zinc/50/51/08/1073505108.db2.gz ULNDEOSIPHPUSP-ZWKOTPCHSA-N 0 3 438.550 -0.343 20 0 IBADHN CC[C@]1(C(=O)OC)C[C@H](NCCOCCOCCOCCOCCOCCO)CN1 ZINC001246275354 1073507456 /nfs/dbraw/zinc/50/74/56/1073507456.db2.gz FKJYJDGKAGYFFT-AZUAARDMSA-N 0 3 436.546 -0.665 20 0 IBADHN CC[C@@]1(C(=O)OC)C[C@H](NCCOCCOCCOCCOCCOCCO)CN1 ZINC001246275356 1073507696 /nfs/dbraw/zinc/50/76/96/1073507696.db2.gz FKJYJDGKAGYFFT-ICSRJNTNSA-N 0 3 436.546 -0.665 20 0 IBADHN CC[C@@]1(C(=O)OC)C[C@@H](NCCOCCOCCOCCOCCOCCO)CN1 ZINC001246275357 1073507735 /nfs/dbraw/zinc/50/77/35/1073507735.db2.gz FKJYJDGKAGYFFT-QUCCMNQESA-N 0 3 436.546 -0.665 20 0 IBADHN CC[C@]1(C(=O)OC)C[C@@H](NCCOCCOCCOCCOCCOCCO)CN1 ZINC001246275359 1073507504 /nfs/dbraw/zinc/50/75/04/1073507504.db2.gz FKJYJDGKAGYFFT-UYAOXDASSA-N 0 3 436.546 -0.665 20 0 IBADHN COC(=O)[C@@H]1C[C@H](N[C@H]2CCN(c3ccc(S(=O)(=O)N(C)C)c4nonc43)C2)CN1 ZINC001246343894 1073509397 /nfs/dbraw/zinc/50/93/97/1073509397.db2.gz TVKADVRUUQBPKY-AVGNSLFASA-N 0 3 438.510 -0.455 20 0 IBADHN COC(=O)[C@H]1C[C@H](N[C@H]2CCN(c3ccc(S(=O)(=O)N(C)C)c4nonc43)C2)CN1 ZINC001246343895 1073509193 /nfs/dbraw/zinc/50/91/93/1073509193.db2.gz TVKADVRUUQBPKY-RWMBFGLXSA-N 0 3 438.510 -0.455 20 0 IBADHN COC(=O)[C@@H]1C[C@@H](N[C@H]2CCN(c3ccc(S(=O)(=O)N(C)C)c4nonc43)C2)CN1 ZINC001246343896 1073509173 /nfs/dbraw/zinc/50/91/73/1073509173.db2.gz TVKADVRUUQBPKY-XQQFMLRXSA-N 0 3 438.510 -0.455 20 0 IBADHN COC(=O)[C@H]1C[C@@H](N[C@H]2CCN(c3ccc(S(=O)(=O)N(C)C)c4nonc43)C2)CN1 ZINC001246343897 1073509529 /nfs/dbraw/zinc/50/95/29/1073509529.db2.gz TVKADVRUUQBPKY-YNEHKIRRSA-N 0 3 438.510 -0.455 20 0 IBADHN NC(=O)[C@H](Cc1cn([C@@H]2CCNC(=O)C2)c2ccccc12)NC(=O)[C@@H](N)Cc1cnc[nH]1 ZINC001246514991 1073512392 /nfs/dbraw/zinc/51/23/92/1073512392.db2.gz BWIAHCMEFJNACA-NJAFHUGGSA-N 0 3 437.504 -0.102 20 0 IBADHN NC(=O)[C@H](Cc1cn([C@H]2CCNC(=O)C2)c2ccccc12)NC(=O)[C@@H](N)Cc1cnc[nH]1 ZINC001246515006 1073512220 /nfs/dbraw/zinc/51/22/20/1073512220.db2.gz BWIAHCMEFJNACA-SZMVWBNQSA-N 0 3 437.504 -0.102 20 0 IBADHN O=S1(=O)Cc2cnc(N3CCOCC3)nc2[C@H]2CN(C3C[C@@H]4COC[C@H](C3)N4)C[C@H]21 ZINC001246702182 1073515841 /nfs/dbraw/zinc/51/58/41/1073515841.db2.gz BLSPPPXGSSPQTN-VQTPCSAVSA-N 0 3 435.550 -0.471 20 0 IBADHN CCOC(=O)[C@@H]1C[C@@H](N2CC[C@@]3(C2)CN(c2cnn(C)c2)C(=O)CN3C(C)=O)CCN1 ZINC001246723538 1073517563 /nfs/dbraw/zinc/51/75/63/1073517563.db2.gz VEVZRPCJSGDMGY-DJPFJPOOSA-N 0 3 432.525 -0.257 20 0 IBADHN CCOC(=O)[C@@H]1C[C@@H](N2CC[C@]3(C2)CN(c2cnn(C)c2)C(=O)CN3C(C)=O)CCN1 ZINC001246723541 1073517493 /nfs/dbraw/zinc/51/74/93/1073517493.db2.gz VEVZRPCJSGDMGY-MDKPJZGXSA-N 0 3 432.525 -0.257 20 0 IBADHN CCOC(=O)[C@@H]1C[C@H](N2CC[C@]3(C2)CN(c2cnn(C)c2)C(=O)CN3C(C)=O)CCN1 ZINC001246723542 1073517614 /nfs/dbraw/zinc/51/76/14/1073517614.db2.gz VEVZRPCJSGDMGY-MMOPVJDHSA-N 0 3 432.525 -0.257 20 0 IBADHN CCOC(=O)[C@@H]1C[C@H](N2CC[C@@]3(C2)CN(c2cnn(C)c2)C(=O)CN3C(C)=O)CCN1 ZINC001246723543 1073517589 /nfs/dbraw/zinc/51/75/89/1073517589.db2.gz VEVZRPCJSGDMGY-PLMTUMEDSA-N 0 3 432.525 -0.257 20 0 IBADHN CCOC(=O)[C@@H]1C[C@H](N2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@H]3C(=O)N2CCOCC2)CCN1 ZINC001246726287 1073518399 /nfs/dbraw/zinc/51/83/99/1073518399.db2.gz QAPLDHIASKSBNP-HSFUPAIVSA-N 0 3 443.566 -0.736 20 0 IBADHN CCOC(=O)[C@@H]1C[C@@H](N2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@@H]3C(=O)N2CCOCC2)CCN1 ZINC001246726289 1073518324 /nfs/dbraw/zinc/51/83/24/1073518324.db2.gz QAPLDHIASKSBNP-IECFSIQFSA-N 0 3 443.566 -0.736 20 0 IBADHN CCOC(=O)[C@@H]1C[C@H](N2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@@H]3C(=O)N2CCOCC2)CCN1 ZINC001246726291 1073518295 /nfs/dbraw/zinc/51/82/95/1073518295.db2.gz QAPLDHIASKSBNP-MDMSPXHWSA-N 0 3 443.566 -0.736 20 0 IBADHN CCOC(=O)[C@@H]1C[C@@H](N2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@H]3C(=O)N2CCOCC2)CCN1 ZINC001246726293 1073518087 /nfs/dbraw/zinc/51/80/87/1073518087.db2.gz QAPLDHIASKSBNP-OBVSXPTNSA-N 0 3 443.566 -0.736 20 0 IBADHN COC(=O)[C@@H]1C[C@@H](N2CCOC[C@]3(CC[C@H](CNC(=O)c4cnccn4)O3)C2)CCN1 ZINC001246739416 1073519707 /nfs/dbraw/zinc/51/97/07/1073519707.db2.gz SQMJTIGEFJFRTK-DLRJPAPCSA-N 0 3 433.509 -0.250 20 0 IBADHN COC(=O)[C@@H]1C[C@@H](N2CCOC[C@]3(CC[C@@H](CNC(=O)c4cnccn4)O3)C2)CCN1 ZINC001246739417 1073519763 /nfs/dbraw/zinc/51/97/63/1073519763.db2.gz SQMJTIGEFJFRTK-IAGYGMIVSA-N 0 3 433.509 -0.250 20 0 IBADHN COC(=O)[C@@H]1C[C@H](N2CCOC[C@]3(CC[C@@H](CNC(=O)c4cnccn4)O3)C2)CCN1 ZINC001246739418 1073519830 /nfs/dbraw/zinc/51/98/30/1073519830.db2.gz SQMJTIGEFJFRTK-JJDSTIRJSA-N 0 3 433.509 -0.250 20 0 IBADHN COC(=O)[C@@H]1C[C@H](N2CCOC[C@]3(CC[C@H](CNC(=O)c4cnccn4)O3)C2)CCN1 ZINC001246739419 1073519654 /nfs/dbraw/zinc/51/96/54/1073519654.db2.gz SQMJTIGEFJFRTK-VWXURSGXSA-N 0 3 433.509 -0.250 20 0 IBADHN CCOC(=O)[C@@H]1CC[C@H](N2CC[C@@H]3CN(CC(=O)N(C)C)S(=O)(=O)[C@@H]3CC2)CN1 ZINC001246757285 1073521786 /nfs/dbraw/zinc/52/17/86/1073521786.db2.gz BWBARGYRDRVTCV-LTIDMASMSA-N 0 3 430.571 -0.516 20 0 IBADHN CCOC(=O)[C@@H]1CC[C@@H](N2CC[C@@H]3CN(CC(=O)N(C)C)S(=O)(=O)[C@@H]3CC2)CN1 ZINC001246757299 1073521941 /nfs/dbraw/zinc/52/19/41/1073521941.db2.gz BWBARGYRDRVTCV-WCXIOVBPSA-N 0 3 430.571 -0.516 20 0 IBADHN COC(=O)[C@@H]1C[C@@H](N2CCC3(CN(S(C)(=O)=O)C[C@]34CCN(C)C4=O)CC2)CCN1 ZINC001246761174 1073522345 /nfs/dbraw/zinc/52/23/45/1073522345.db2.gz MWHZCBFQSSUWAR-FTRWYGJKSA-N 0 3 442.582 -0.514 20 0 IBADHN COC(=O)[C@@H]1C[C@H](N2CCC3(CN(S(C)(=O)=O)C[C@@]34CCN(C)C4=O)CC2)CCN1 ZINC001246761196 1073522360 /nfs/dbraw/zinc/52/23/60/1073522360.db2.gz MWHZCBFQSSUWAR-GQIGUUNPSA-N 0 3 442.582 -0.514 20 0 IBADHN COC(=O)[C@@H]1C[C@H](N2CCC3(CN(S(C)(=O)=O)C[C@]34CCN(C)C4=O)CC2)CCN1 ZINC001246761201 1073522548 /nfs/dbraw/zinc/52/25/48/1073522548.db2.gz MWHZCBFQSSUWAR-GUXCAODWSA-N 0 3 442.582 -0.514 20 0 IBADHN COC(=O)[C@@H]1C[C@@H](N2CCC3(CN(S(C)(=O)=O)C[C@@]34CCN(C)C4=O)CC2)CCN1 ZINC001246761206 1073522606 /nfs/dbraw/zinc/52/26/06/1073522606.db2.gz MWHZCBFQSSUWAR-TWOQFEAHSA-N 0 3 442.582 -0.514 20 0 IBADHN Cn1ccnc1C(=O)NCc1cc(=O)n2c(n1)CN(C1C[C@@H]3COC[C@H](C1)N3)CCC2 ZINC001246772550 1073524575 /nfs/dbraw/zinc/52/45/75/1073524575.db2.gz PQVAPBNEDAFWGH-SJPCQFCGSA-N 0 3 427.509 -0.368 20 0 IBADHN O=S1(=O)[C@H]2C[C@@H]3CNC[C@@]2(CN1[C@@H]1CCN(c2ncc(Br)cn2)C1)O3 ZINC001247013777 1073526569 /nfs/dbraw/zinc/52/65/69/1073526569.db2.gz YGMSNCUQVHBKQF-CXTNEJHOSA-N 0 3 430.328 -0.037 20 0 IBADHN O=S1(=O)[C@H]2C[C@@H]3CNC[C@@]2(CN1[C@H]1CCN(c2ncc(Br)cn2)C1)O3 ZINC001247013781 1073526404 /nfs/dbraw/zinc/52/64/04/1073526404.db2.gz YGMSNCUQVHBKQF-XFMPKHEZSA-N 0 3 430.328 -0.037 20 0 IBADHN CCOC(=O)CNC(=O)CNC(=O)CNCC1(O)CCN(C(=O)OC(C)(C)C)CC1 ZINC001250952885 1073539417 /nfs/dbraw/zinc/53/94/17/1073539417.db2.gz JUQFFFUBUIQJPD-UHFFFAOYSA-N 0 3 430.502 -0.867 20 0 IBADHN CN(C)C(=O)N1CC(=O)N(c2cccnc2)C[C@]12CCN(C[C@H](O)CN1CCOCC1)C2 ZINC001251008697 1073539261 /nfs/dbraw/zinc/53/92/61/1073539261.db2.gz CRMLRNIXWJDQSN-DENIHFKCSA-N 0 3 446.552 -0.451 20 0 IBADHN CN(C)C(=O)N1CC(=O)N(c2cccnc2)C[C@@]12CCN(C[C@H](O)CN1CCOCC1)C2 ZINC001251008698 1073539555 /nfs/dbraw/zinc/53/95/55/1073539555.db2.gz CRMLRNIXWJDQSN-KNQAVFIVSA-N 0 3 446.552 -0.451 20 0 IBADHN CN(C)C(=O)N1CC(=O)N(c2cccnc2)C[C@]12CCN(C[C@@H](O)CN1CCOCC1)C2 ZINC001251008699 1073539117 /nfs/dbraw/zinc/53/91/17/1073539117.db2.gz CRMLRNIXWJDQSN-SIKLNZKXSA-N 0 3 446.552 -0.451 20 0 IBADHN CN(C)C(=O)N1CC(=O)N(c2cccnc2)C[C@@]12CCN(C[C@@H](O)CN1CCOCC1)C2 ZINC001251008700 1073539375 /nfs/dbraw/zinc/53/93/75/1073539375.db2.gz CRMLRNIXWJDQSN-UGKGYDQZSA-N 0 3 446.552 -0.451 20 0 IBADHN CN(C)C(=O)N1CC2(CCN(C[C@H](O)CN3CCOCC3)CC2)[C@@]2(CCN(C)C2=O)C1 ZINC001251012619 1073539957 /nfs/dbraw/zinc/53/99/57/1073539957.db2.gz AROWQLQKEZXNIU-AVRDEDQJSA-N 0 3 437.585 -0.393 20 0 IBADHN CN(C)C(=O)N1CC2(CCN(C[C@@H](O)CN3CCOCC3)CC2)[C@@]2(CCN(C)C2=O)C1 ZINC001251012625 1073540056 /nfs/dbraw/zinc/54/00/56/1073540056.db2.gz AROWQLQKEZXNIU-GCJKJVERSA-N 0 3 437.585 -0.393 20 0 IBADHN CN(C)C(=O)N1CC2(CCN(C[C@H](O)CN3CCOCC3)CC2)[C@]2(CCN(C)C2=O)C1 ZINC001251012628 1073540304 /nfs/dbraw/zinc/54/03/04/1073540304.db2.gz AROWQLQKEZXNIU-PGRDOPGGSA-N 0 3 437.585 -0.393 20 0 IBADHN CN(C)C(=O)N1CC2(CCN(C[C@@H](O)CN3CCOCC3)CC2)[C@]2(CCN(C)C2=O)C1 ZINC001251012632 1073540098 /nfs/dbraw/zinc/54/00/98/1073540098.db2.gz AROWQLQKEZXNIU-XMSQKQJNSA-N 0 3 437.585 -0.393 20 0 IBADHN COC[C@H]1CC2(CN1S(=O)(=O)C1CC1)CCN(C[C@H](O)CN1CCOCC1)CC2 ZINC001251014658 1073539883 /nfs/dbraw/zinc/53/98/83/1073539883.db2.gz CBTHMPNRVVHXHZ-MSOLQXFVSA-N 0 3 431.599 -0.025 20 0 IBADHN COC[C@H]1CC2(CN1S(=O)(=O)C1CC1)CCN(C[C@@H](O)CN1CCOCC1)CC2 ZINC001251014661 1073540197 /nfs/dbraw/zinc/54/01/97/1073540197.db2.gz CBTHMPNRVVHXHZ-QZTJIDSGSA-N 0 3 431.599 -0.025 20 0 IBADHN COC[C@@H]1CC2(CN1S(=O)(=O)C1CC1)CCN(C[C@H](O)CN1CCOCC1)CC2 ZINC001251014666 1073540036 /nfs/dbraw/zinc/54/00/36/1073540036.db2.gz CBTHMPNRVVHXHZ-ROUUACIJSA-N 0 3 431.599 -0.025 20 0 IBADHN COC[C@@H]1CC2(CN1S(=O)(=O)C1CC1)CCN(C[C@@H](O)CN1CCOCC1)CC2 ZINC001251014671 1073539941 /nfs/dbraw/zinc/53/99/41/1073539941.db2.gz CBTHMPNRVVHXHZ-ZWKOTPCHSA-N 0 3 431.599 -0.025 20 0 IBADHN O=C(NC[C@@H]1CC[C@]2(COCCN(C[C@H](O)CN3CCOCC3)C2)O1)c1cnccn1 ZINC001251015696 1073540342 /nfs/dbraw/zinc/54/03/42/1073540342.db2.gz UDXSXOUCZGUOQX-LQWHRVPQSA-N 0 3 435.525 -0.851 20 0 IBADHN O=C(NC[C@H]1CC[C@]2(COCCN(C[C@H](O)CN3CCOCC3)C2)O1)c1cnccn1 ZINC001251015706 1073540171 /nfs/dbraw/zinc/54/01/71/1073540171.db2.gz UDXSXOUCZGUOQX-OPYAIIAOSA-N 0 3 435.525 -0.851 20 0 IBADHN O=C(NC[C@H]1CC[C@]2(COCCN(C[C@@H](O)CN3CCOCC3)C2)O1)c1cnccn1 ZINC001251015708 1073540015 /nfs/dbraw/zinc/54/00/15/1073540015.db2.gz UDXSXOUCZGUOQX-UEXGIBASSA-N 0 3 435.525 -0.851 20 0 IBADHN O=C(NC[C@@H]1CC[C@]2(COCCN(C[C@@H](O)CN3CCOCC3)C2)O1)c1cnccn1 ZINC001251015710 1073540228 /nfs/dbraw/zinc/54/02/28/1073540228.db2.gz UDXSXOUCZGUOQX-WFXMLNOXSA-N 0 3 435.525 -0.851 20 0 IBADHN COC(=O)c1cc2c(nc1N1CCOCC1)CCN(C[C@@H](O)CN1CCOCC1)CC2 ZINC001251016545 1073540129 /nfs/dbraw/zinc/54/01/29/1073540129.db2.gz KVUVWYZQDYPPNZ-GOSISDBHSA-N 0 3 434.537 -0.202 20 0 IBADHN COC(=O)c1cc2c(nc1N1CCOCC1)CCN(C[C@H](O)CN1CCOCC1)CC2 ZINC001251016546 1073539983 /nfs/dbraw/zinc/53/99/83/1073539983.db2.gz KVUVWYZQDYPPNZ-SFHVURJKSA-N 0 3 434.537 -0.202 20 0 IBADHN Cc1nc(N2CCOCC2)nc2c1COC[C@@]21CCN(C[C@@H](O)CN2CCOCC2)C1 ZINC001251018228 1073541082 /nfs/dbraw/zinc/54/10/82/1073541082.db2.gz XHHIYKQJXKPZMT-AVRDEDQJSA-N 0 3 433.553 -0.212 20 0 IBADHN Cc1nc(N2CCOCC2)nc2c1COC[C@@]21CCN(C[C@H](O)CN2CCOCC2)C1 ZINC001251018241 1073540769 /nfs/dbraw/zinc/54/07/69/1073540769.db2.gz XHHIYKQJXKPZMT-GCJKJVERSA-N 0 3 433.553 -0.212 20 0 IBADHN Cc1nc(N2CCOCC2)nc2c1COC[C@]21CCN(C[C@@H](O)CN2CCOCC2)C1 ZINC001251018244 1073540583 /nfs/dbraw/zinc/54/05/83/1073540583.db2.gz XHHIYKQJXKPZMT-PGRDOPGGSA-N 0 3 433.553 -0.212 20 0 IBADHN Cc1nc(N2CCOCC2)nc2c1COC[C@]21CCN(C[C@H](O)CN2CCOCC2)C1 ZINC001251018246 1073540896 /nfs/dbraw/zinc/54/08/96/1073540896.db2.gz XHHIYKQJXKPZMT-XMSQKQJNSA-N 0 3 433.553 -0.212 20 0 IBADHN CC(C)(C)OC(=O)N1CCN(S(=O)(=O)CCNC[C@H](O)CN2CCOCC2)CC1 ZINC001251034158 1073541030 /nfs/dbraw/zinc/54/10/30/1073541030.db2.gz XACPVXXBPBISCN-INIZCTEOSA-N 0 3 436.575 -0.848 20 0 IBADHN CC(C)(C)OC(=O)N1CCN(S(=O)(=O)CCNC[C@@H](O)CN2CCOCC2)CC1 ZINC001251034166 1073541189 /nfs/dbraw/zinc/54/11/89/1073541189.db2.gz XACPVXXBPBISCN-MRXNPFEDSA-N 0 3 436.575 -0.848 20 0 IBADHN O=C1O[C@@H](CNC[C@@H](O)CN2CCOCC2)CN1c1ccc(N2CCOCC2=O)cc1 ZINC001251035449 1073541138 /nfs/dbraw/zinc/54/11/38/1073541138.db2.gz IOMOFCZXSHUSGO-MOPGFXCFSA-N 0 3 434.493 -0.342 20 0 IBADHN O=C1O[C@@H](CNC[C@H](O)CN2CCOCC2)CN1c1ccc(N2CCOCC2=O)cc1 ZINC001251035457 1073541210 /nfs/dbraw/zinc/54/12/10/1073541210.db2.gz IOMOFCZXSHUSGO-OALUTQOASA-N 0 3 434.493 -0.342 20 0 IBADHN O=C(CNC[C@H](O)CN1CCOCC1)NCCOCCOCCOCc1ccccc1 ZINC001251049401 1073541637 /nfs/dbraw/zinc/54/16/37/1073541637.db2.gz XTMDAKMEMRFWPN-NRFANRHFSA-N 0 3 439.553 -0.365 20 0 IBADHN O=C(CNC[C@@H](O)CN1CCOCC1)NCCOCCOCCOCc1ccccc1 ZINC001251049402 1073541813 /nfs/dbraw/zinc/54/18/13/1073541813.db2.gz XTMDAKMEMRFWPN-OAQYLSRUSA-N 0 3 439.553 -0.365 20 0 IBADHN CCOC(=O)C1CCC(O)(CN[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)OC)CC1 ZINC001251077557 1073541888 /nfs/dbraw/zinc/54/18/88/1073541888.db2.gz USGJKFVWZBVIDP-LFWKACOTSA-N 0 3 429.514 -0.369 20 0 IBADHN CCOC(=O)C1CCC(O)(CN[C@@H](Cc2c[nH]cn2)C(=O)N2CCC[C@H]2C(N)=O)CC1 ZINC001251077695 1073541568 /nfs/dbraw/zinc/54/15/68/1073541568.db2.gz ZQPWAAWIQAOUAD-ZZUNWWICSA-N 0 3 435.525 -0.129 20 0 IBADHN CCOC(=O)CNC(=O)CNC(=O)CNC[C@@]1(O)CCCN(C(=O)OC(C)(C)C)C1 ZINC001251347618 1073545882 /nfs/dbraw/zinc/54/58/82/1073545882.db2.gz RZCZKENKNAHVMW-IBGZPJMESA-N 0 3 430.502 -0.867 20 0 IBADHN CCOC(=O)CNC(=O)CNC(=O)CNC[C@]1(O)CCCN(C(=O)OC(C)(C)C)C1 ZINC001251347619 1073545912 /nfs/dbraw/zinc/54/59/12/1073545912.db2.gz RZCZKENKNAHVMW-LJQANCHMSA-N 0 3 430.502 -0.867 20 0 IBADHN CC(C)(C)OC(=O)N1CC[C@@](O)(CN[C@@H](Cc2ccc(O)cc2)C(=O)NCC(N)=O)C1 ZINC001251479781 1073547162 /nfs/dbraw/zinc/54/71/62/1073547162.db2.gz LSJAHULFVKSKPW-HRAATJIYSA-N 0 3 436.509 -0.134 20 0 IBADHN CC(C)(C)OC(=O)N1CC[C@](O)(CN[C@@H](Cc2ccc(O)cc2)C(=O)NCC(N)=O)C1 ZINC001251479782 1073546848 /nfs/dbraw/zinc/54/68/48/1073546848.db2.gz LSJAHULFVKSKPW-KKSFZXQISA-N 0 3 436.509 -0.134 20 0 IBADHN COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC[C@]1(O)CCN(C(=O)OC(C)(C)C)C1 ZINC001251480680 1073546921 /nfs/dbraw/zinc/54/69/21/1073546921.db2.gz TYEKVXBRKPAFBZ-DBHZFRFHSA-N 0 3 444.529 -0.481 20 0 IBADHN COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC[C@@]1(O)CCN(C(=O)OC(C)(C)C)C1 ZINC001251480681 1073546775 /nfs/dbraw/zinc/54/67/75/1073546775.db2.gz TYEKVXBRKPAFBZ-FTIRYDQDSA-N 0 3 444.529 -0.481 20 0 IBADHN CC(C)(C)OC(=O)N1CC[C@@](O)(CNCC(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)C1 ZINC001251480777 1073546883 /nfs/dbraw/zinc/54/68/83/1073546883.db2.gz WFMNEMOVCNSOQX-HRAATJIYSA-N 0 3 436.509 -0.134 20 0 IBADHN CC(C)(C)OC(=O)N1CC[C@](O)(CNCC(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)C1 ZINC001251480778 1073547134 /nfs/dbraw/zinc/54/71/34/1073547134.db2.gz WFMNEMOVCNSOQX-KKSFZXQISA-N 0 3 436.509 -0.134 20 0 IBADHN COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC[C@H](O)COCC(F)(F)C(F)F ZINC001251651690 1073548806 /nfs/dbraw/zinc/54/88/06/1073548806.db2.gz YWIBJLSSLLEUOD-NAKRPEOUSA-N 0 3 433.399 -0.575 20 0 IBADHN COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC[C@@H](O)COCC(F)(F)C(F)F ZINC001251651693 1073548846 /nfs/dbraw/zinc/54/88/46/1073548846.db2.gz YWIBJLSSLLEUOD-XWLWVQCSSA-N 0 3 433.399 -0.575 20 0 IBADHN CN1CC[C@@](O)(CNC(=O)NC2CN(S(=O)(=O)c3ccc4c(c3)OCCO4)C2)C1 ZINC001251731497 1073550610 /nfs/dbraw/zinc/55/06/10/1073550610.db2.gz IANOULHIJPJWGZ-GOSISDBHSA-N 0 3 426.495 -0.804 20 0 IBADHN CN1CC[C@](O)(CNC(=O)NC2CN(S(=O)(=O)c3ccc4c(c3)OCCO4)C2)C1 ZINC001251731498 1073550513 /nfs/dbraw/zinc/55/05/13/1073550513.db2.gz IANOULHIJPJWGZ-SFHVURJKSA-N 0 3 426.495 -0.804 20 0 IBADHN CCN1CCN(C[C@H](C)CNC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)CC1 ZINC001251813724 1073552314 /nfs/dbraw/zinc/55/23/14/1073552314.db2.gz UNGLITFOVGYDML-CVEARBPZSA-N 0 3 427.571 -0.458 20 0 IBADHN CCN1CCN(C[C@@H](C)CNC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)CC1 ZINC001251813725 1073552185 /nfs/dbraw/zinc/55/21/85/1073552185.db2.gz UNGLITFOVGYDML-HOTGVXAUSA-N 0 3 427.571 -0.458 20 0 IBADHN CCN1CCN(C[C@H](C)CNC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)CC1 ZINC001251813726 1073552261 /nfs/dbraw/zinc/55/22/61/1073552261.db2.gz UNGLITFOVGYDML-HZPDHXFCSA-N 0 3 427.571 -0.458 20 0 IBADHN CCN1CCN(C[C@@H](C)CNC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)CC1 ZINC001251813727 1073552206 /nfs/dbraw/zinc/55/22/06/1073552206.db2.gz UNGLITFOVGYDML-JKSUJKDBSA-N 0 3 427.571 -0.458 20 0 IBADHN COC(=O)[C@@H](O)CNCCOCCOCCOCCOCCNC(=O)OC(C)(C)C ZINC001252440988 1073558040 /nfs/dbraw/zinc/55/80/40/1073558040.db2.gz WMZMSSSOKDFUTC-INIZCTEOSA-N 0 3 438.518 -0.299 20 0 IBADHN COC(=O)[C@H](O)CNCCOCCOCCOCCOCCNC(=O)OC(C)(C)C ZINC001252440989 1073558388 /nfs/dbraw/zinc/55/83/88/1073558388.db2.gz WMZMSSSOKDFUTC-MRXNPFEDSA-N 0 3 438.518 -0.299 20 0 IBADHN COc1ccc(OC[C@H](O)CN[C@@H](Cc2cnc[nH]2)C(=O)N2CCC[C@H]2C(N)=O)cc1 ZINC001252741738 1073562096 /nfs/dbraw/zinc/56/20/96/1073562096.db2.gz GBIJKZRNIYEDSK-MNEFBYGVSA-N 0 3 431.493 -0.165 20 0 IBADHN COc1ccc(OC[C@@H](O)CN[C@@H](Cc2cnc[nH]2)C(=O)N2CCC[C@H]2C(N)=O)cc1 ZINC001252741739 1073562137 /nfs/dbraw/zinc/56/21/37/1073562137.db2.gz GBIJKZRNIYEDSK-SNRMKQJTSA-N 0 3 431.493 -0.165 20 0 IBADHN COC[C@@H](O)CN[C@H]1[C@@H](O)[C@H](n2ccc(=O)[nH]c2=O)O[C@@H]1COC(=O)c1ccc(C)cc1 ZINC001252829237 1073562520 /nfs/dbraw/zinc/56/25/20/1073562520.db2.gz MBCMNUBCBXEQJC-ZPKKHLQPSA-N 0 3 449.460 -0.662 20 0 IBADHN COc1ccccc1OC[C@H](O)CN[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001252914226 1073563970 /nfs/dbraw/zinc/56/39/70/1073563970.db2.gz MNQNBOIPYSCDDG-IKGGRYGDSA-N 0 3 431.493 -0.165 20 0 IBADHN COc1ccccc1OC[C@@H](O)CN[C@@H](Cc1cnc[nH]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001252914227 1073564119 /nfs/dbraw/zinc/56/41/19/1073564119.db2.gz MNQNBOIPYSCDDG-ULQDDVLXSA-N 0 3 431.493 -0.165 20 0 IBADHN CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNCC1(O)CCOCC1)C(N)=O ZINC001252977547 1073564901 /nfs/dbraw/zinc/56/49/01/1073564901.db2.gz YKZRBYDLHNRHOJ-GJZGRUSLSA-N 0 3 432.587 -0.628 20 0 IBADHN Cc1cn([C@H]2C[C@H](NC[C@H](O)COc3ccc(CCO)cc3)[C@@H](CO)O2)c(=O)[nH]c1=O ZINC001253167559 1073566604 /nfs/dbraw/zinc/56/66/04/1073566604.db2.gz QFCGOJYEPQRYKP-GDAAHCPNSA-N 0 3 435.477 -0.530 20 0 IBADHN Cc1cn([C@H]2C[C@H](NC[C@@H](O)COc3ccc(CCO)cc3)[C@@H](CO)O2)c(=O)[nH]c1=O ZINC001253167560 1073566711 /nfs/dbraw/zinc/56/67/11/1073566711.db2.gz QFCGOJYEPQRYKP-QXCFHYIPSA-N 0 3 435.477 -0.530 20 0 IBADHN NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC[C@@H](O)COc1ccc(CCO)cc1 ZINC001253174283 1073566665 /nfs/dbraw/zinc/56/66/65/1073566665.db2.gz VRNHUGARNFCTLL-HOJAQTOUSA-N 0 3 445.520 -0.639 20 0 IBADHN NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC[C@H](O)COc1ccc(CCO)cc1 ZINC001253174284 1073566869 /nfs/dbraw/zinc/56/68/69/1073566869.db2.gz VRNHUGARNFCTLL-IHPCNDPISA-N 0 3 445.520 -0.639 20 0 IBADHN O=C(CNC1(CO)CCOCC1)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC001253337556 1073568543 /nfs/dbraw/zinc/56/85/43/1073568543.db2.gz BIZBHBLDTFDQPO-UHFFFAOYSA-N 0 3 427.523 -0.545 20 0 IBADHN CN(C1CCN(CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1)S(C)(=O)=O ZINC001253403373 1073568566 /nfs/dbraw/zinc/56/85/66/1073568566.db2.gz FZUCCJBCZQVIPJ-UHFFFAOYSA-N 0 3 446.595 -0.261 20 0 IBADHN Cc1cn([C@H]2C[C@H](NC[C@@](C)(O)C(=O)OCc3ccccc3)[C@@H](CO)O2)c(=O)[nH]c1=O ZINC001253658865 1073570809 /nfs/dbraw/zinc/57/08/09/1073570809.db2.gz FMWIXUITUDNJDP-BIZBXSGISA-N 0 3 433.461 -0.010 20 0 IBADHN Cc1cn([C@H]2C[C@H](NC[C@](C)(O)C(=O)OCc3ccccc3)[C@@H](CO)O2)c(=O)[nH]c1=O ZINC001253658866 1073570889 /nfs/dbraw/zinc/57/08/89/1073570889.db2.gz FMWIXUITUDNJDP-WCLQXYBISA-N 0 3 433.461 -0.010 20 0 IBADHN CC(C)(C)OC(=O)[C@@H](O)CNCCOCCOCCOCCOCCOCCO ZINC001253711969 1073571471 /nfs/dbraw/zinc/57/14/71/1073571471.db2.gz OZVIUQJBTPDBEP-KRWDZBQOSA-N 0 3 425.519 -0.646 20 0 IBADHN CC(C)(C)OC(=O)[C@H](O)CNCCOCCOCCOCCOCCOCCO ZINC001253711970 1073571272 /nfs/dbraw/zinc/57/12/72/1073571272.db2.gz OZVIUQJBTPDBEP-QGZVFWFLSA-N 0 3 425.519 -0.646 20 0 IBADHN C[C@H](C(=O)NC1CC1)N1CCN(CCCN2CCN([C@@H](C)C(=O)NC3CC3)CC2)CC1 ZINC001253810994 1073573063 /nfs/dbraw/zinc/57/30/63/1073573063.db2.gz BRPURQLJGUJFGW-KDURUIRLSA-N 0 3 434.629 -0.054 20 0 IBADHN COC(=O)C1CCN(CCCNC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)CC1 ZINC001253825610 1073573304 /nfs/dbraw/zinc/57/33/04/1073573304.db2.gz NYRYFFCIARIWNO-CVEARBPZSA-N 0 3 429.539 -0.587 20 0 IBADHN COC(=O)C1CCN(CCCNC(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)CC1 ZINC001253825611 1073573023 /nfs/dbraw/zinc/57/30/23/1073573023.db2.gz NYRYFFCIARIWNO-HOTGVXAUSA-N 0 3 429.539 -0.587 20 0 IBADHN COC(=O)C1CCN(CCCNC(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)CC1 ZINC001253825612 1073573051 /nfs/dbraw/zinc/57/30/51/1073573051.db2.gz NYRYFFCIARIWNO-HZPDHXFCSA-N 0 3 429.539 -0.587 20 0 IBADHN COC(=O)C1CCN(CCCNC(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)CC1 ZINC001253825613 1073573137 /nfs/dbraw/zinc/57/31/37/1073573137.db2.gz NYRYFFCIARIWNO-JKSUJKDBSA-N 0 3 429.539 -0.587 20 0 IBADHN CC(=O)N1CC(=O)NC[C@]12CCN(C[C@@H](O)[C@H](c1ccc(F)cc1F)n1cncn1)C2 ZINC001253872393 1073573841 /nfs/dbraw/zinc/57/38/41/1073573841.db2.gz ZTVQAZYYJZEFTN-HOJAQTOUSA-N 0 3 434.447 -0.071 20 0 IBADHN CC(=O)N1CC(=O)NC[C@]12CCN(C[C@H](O)[C@H](c1ccc(F)cc1F)n1cncn1)C2 ZINC001253872394 1073573670 /nfs/dbraw/zinc/57/36/70/1073573670.db2.gz ZTVQAZYYJZEFTN-IHPCNDPISA-N 0 3 434.447 -0.071 20 0 IBADHN CC(=O)N1CC(=O)NC[C@]12CCN(C[C@@H](O)[C@@H](c1ccc(F)cc1F)n1cncn1)C2 ZINC001253872395 1073573879 /nfs/dbraw/zinc/57/38/79/1073573879.db2.gz ZTVQAZYYJZEFTN-RLLQIKCJSA-N 0 3 434.447 -0.071 20 0 IBADHN CC(=O)N1CC(=O)NC[C@]12CCN(C[C@H](O)[C@@H](c1ccc(F)cc1F)n1cncn1)C2 ZINC001253872396 1073573951 /nfs/dbraw/zinc/57/39/51/1073573951.db2.gz ZTVQAZYYJZEFTN-SXLOBPIMSA-N 0 3 434.447 -0.071 20 0 IBADHN COc1cccc(OC[C@H](O)CN[C@@H](Cc2cnc[nH]2)C(=O)N2CCC[C@H]2C(N)=O)c1 ZINC001253985560 1073575088 /nfs/dbraw/zinc/57/50/88/1073575088.db2.gz HBSULEBFLIWLET-MNEFBYGVSA-N 0 3 431.493 -0.165 20 0 IBADHN COc1cccc(OC[C@@H](O)CN[C@@H](Cc2cnc[nH]2)C(=O)N2CCC[C@H]2C(N)=O)c1 ZINC001253985561 1073574819 /nfs/dbraw/zinc/57/48/19/1073574819.db2.gz HBSULEBFLIWLET-SNRMKQJTSA-N 0 3 431.493 -0.165 20 0 IBADHN CC(=O)OC[C@H]1O[C@H](O)[C@H](n2cc(-c3cnccc3N)nn2)[C@@H](OC(C)=O)[C@H]1OC(C)=O ZINC001254114171 1073580658 /nfs/dbraw/zinc/58/06/58/1073580658.db2.gz WVNDWQQDBRJMFW-FQBWVUSXSA-N 0 3 449.420 -0.563 20 0 IBADHN CC(=O)OC[C@H]1O[C@@H](O)[C@H](n2cc(-c3cnccc3N)nn2)[C@@H](OC(C)=O)[C@H]1OC(C)=O ZINC001254114172 1073580457 /nfs/dbraw/zinc/58/04/57/1073580457.db2.gz WVNDWQQDBRJMFW-UJWQCDCRSA-N 0 3 449.420 -0.563 20 0 IBADHN CC(C)(C)OC(=O)N1CCCC[C@@H](NCC(=O)N2CCC[C@H]2C(=O)NCC(N)=O)C1 ZINC001254195437 1073583457 /nfs/dbraw/zinc/58/34/57/1073583457.db2.gz IXVOBFFNNAMVPP-CABCVRRESA-N 0 3 425.530 -0.042 20 0 IBADHN CC(C)(C)OC(=O)N1CCCC[C@H](NCC(=O)N2CCC[C@H]2C(=O)NCC(N)=O)C1 ZINC001254195438 1073583821 /nfs/dbraw/zinc/58/38/21/1073583821.db2.gz IXVOBFFNNAMVPP-GJZGRUSLSA-N 0 3 425.530 -0.042 20 0 IBADHN CC(C)(C)OC(=O)N1CC[C@@H](NCC(=O)N2CCC[C@H]2C(=O)NCC(N)=O)CC1=O ZINC001254247228 1073583961 /nfs/dbraw/zinc/58/39/61/1073583961.db2.gz PSUBOFQKPRHCOE-OLZOCXBDSA-N 0 3 425.486 -0.905 20 0 IBADHN CC(C)(C)OC(=O)N1CC[C@H](NCC(=O)N2CCC[C@H]2C(=O)NCC(N)=O)CC1=O ZINC001254247229 1073583786 /nfs/dbraw/zinc/58/37/86/1073583786.db2.gz PSUBOFQKPRHCOE-STQMWFEESA-N 0 3 425.486 -0.905 20 0 IBADHN CC(C)(C)OC(=O)N1CCC[C@H](N[C@H]2[C@H](n3ccc(=O)[nH]c3=O)O[C@H](CO)[C@H]2O)CC1 ZINC001254296252 1073584600 /nfs/dbraw/zinc/58/46/00/1073584600.db2.gz YWFDEQYSBDAGEN-IHWGESPNSA-N 0 3 440.497 -0.053 20 0 IBADHN CC(C)(C)OC(=O)N1CCC[C@@H](N[C@H]2[C@H](n3ccc(=O)[nH]c3=O)O[C@H](CO)[C@H]2O)CC1 ZINC001254296253 1073584421 /nfs/dbraw/zinc/58/44/21/1073584421.db2.gz YWFDEQYSBDAGEN-PVTMVUMOSA-N 0 3 440.497 -0.053 20 0 IBADHN CN(C)S(=O)(=O)c1ccc(N2CC[C@H](N[C@@H]3CCS(=O)(=O)C3)C2)c2nonc21 ZINC001254320846 1073585092 /nfs/dbraw/zinc/58/50/92/1073585092.db2.gz DWCKLORRKNSNQI-NWDGAFQWSA-N 0 3 429.524 -0.172 20 0 IBADHN CN(C)S(=O)(=O)c1ccc(N2CC[C@H](N[C@H]3CCS(=O)(=O)C3)C2)c2nonc21 ZINC001254320871 1073585126 /nfs/dbraw/zinc/58/51/26/1073585126.db2.gz DWCKLORRKNSNQI-RYUDHWBXSA-N 0 3 429.524 -0.172 20 0 IBADHN O=C(NC[C@@]1(CO)COC[C@@H]2CCCN21)N[C@H]1CCCN(CCN2CCOCC2)C1 ZINC001254641151 1073588598 /nfs/dbraw/zinc/58/85/98/1073588598.db2.gz FMLPQVQBOGCLDT-IRFCIJBXSA-N 0 3 425.574 -0.692 20 0 IBADHN O=C(NC[C@@]1(CO)COC[C@@H]2CCCN21)N[C@@H]1CCCN(CCN2CCOCC2)C1 ZINC001254641152 1073588231 /nfs/dbraw/zinc/58/82/31/1073588231.db2.gz FMLPQVQBOGCLDT-SVFBPWRDSA-N 0 3 425.574 -0.692 20 0 IBADHN CCOC(=O)CNC(=O)CNC(=O)CN[C@H]1CSC2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001254690758 1073590231 /nfs/dbraw/zinc/59/02/31/1073590231.db2.gz LRTGNCNTMONZRF-CYBMUJFWSA-N 0 3 444.554 -0.134 20 0 IBADHN CCOC(=O)CNC(=O)CNC(=O)CN[C@@H]1CSC2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001254690759 1073590115 /nfs/dbraw/zinc/59/01/15/1073590115.db2.gz LRTGNCNTMONZRF-ZDUSSCGKSA-N 0 3 444.554 -0.134 20 0 IBADHN CCOC(=O)CNC(=O)CNC(=O)CN[C@H]1CCOC2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001254808760 1073591389 /nfs/dbraw/zinc/59/13/89/1073591389.db2.gz TWGQHHGHSOWZBQ-AWEZNQCLSA-N 0 3 442.513 -0.460 20 0 IBADHN CCOC(=O)CNC(=O)CNC(=O)CN[C@@H]1CCOC2(CN(C(=O)OC(C)(C)C)C2)C1 ZINC001254808761 1073591335 /nfs/dbraw/zinc/59/13/35/1073591335.db2.gz TWGQHHGHSOWZBQ-CQSZACIVSA-N 0 3 442.513 -0.460 20 0 IBADHN Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1N[C@H]1CCN(Cc2ccccc2)C1 ZINC001255100219 1073593634 /nfs/dbraw/zinc/59/36/34/1073593634.db2.gz UOVVTUJWZSGYRQ-BRHAQHMBSA-N 0 3 425.493 -0.108 20 0 IBADHN Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1N[C@@H]1CCN(Cc2ccccc2)C1 ZINC001255100222 1073593372 /nfs/dbraw/zinc/59/33/72/1073593372.db2.gz UOVVTUJWZSGYRQ-BRUGHKRESA-N 0 3 425.493 -0.108 20 0 IBADHN O=C(Cn1nc(C(=O)N2CCN(CC3CC3)CC2)ccc1=O)N1CCN(CC2CC2)CC1 ZINC001255304059 1073595345 /nfs/dbraw/zinc/59/53/45/1073595345.db2.gz VOMCGLYPZZOJQU-UHFFFAOYSA-N 0 3 442.564 -0.035 20 0 IBADHN Cn1ccn2c(CCNC(=O)NC[C@@]3(O)CCN(Cc4ccccc4)C3)nnc2c1=O ZINC001255504921 1073596966 /nfs/dbraw/zinc/59/69/66/1073596966.db2.gz VJPJEZDWXLZSJV-NRFANRHFSA-N 0 3 425.493 -0.093 20 0 IBADHN Cn1ccn2c(CCNC(=O)NC[C@]3(O)CCN(Cc4ccccc4)C3)nnc2c1=O ZINC001255504922 1073596774 /nfs/dbraw/zinc/59/67/74/1073596774.db2.gz VJPJEZDWXLZSJV-OAQYLSRUSA-N 0 3 425.493 -0.093 20 0 IBADHN CC(C)(C)OC(=O)N1CC[C@H](N[C@H]2[C@@H](O)[C@H](n3cnc4c3ncnc4N)O[C@@H]2CO)C1 ZINC001255592719 1073596935 /nfs/dbraw/zinc/59/69/35/1073596935.db2.gz GQKVGEKFIRIDAE-GCXGIZPZSA-N 0 3 435.485 -0.373 20 0 IBADHN CC(C)(C)OC(=O)N1CC[C@@H](N[C@H]2[C@@H](O)[C@H](n3cnc4c3ncnc4N)O[C@@H]2CO)C1 ZINC001255592724 1073596866 /nfs/dbraw/zinc/59/68/66/1073596866.db2.gz GQKVGEKFIRIDAE-JZLXNPJKSA-N 0 3 435.485 -0.373 20 0 IBADHN CNc1nc(N2CC[C@@H](C)S(=O)(=O)CC2)nc(N2CC[C@H](C)S(=O)(=O)CC2)n1 ZINC001255800457 1073598532 /nfs/dbraw/zinc/59/85/32/1073598532.db2.gz MIRJPFKYCYDHLZ-BETUJISGSA-N 0 3 432.572 -0.638 20 0 IBADHN CNc1nc(N2CC[C@@H](C)S(=O)(=O)CC2)nc(N2CC[C@@H](C)S(=O)(=O)CC2)n1 ZINC001255800464 1073598656 /nfs/dbraw/zinc/59/86/56/1073598656.db2.gz MIRJPFKYCYDHLZ-CHWSQXEVSA-N 0 3 432.572 -0.638 20 0 IBADHN CNc1nc(N2CC[C@H](C)S(=O)(=O)CC2)nc(N2CC[C@H](C)S(=O)(=O)CC2)n1 ZINC001255800467 1073598629 /nfs/dbraw/zinc/59/86/29/1073598629.db2.gz MIRJPFKYCYDHLZ-STQMWFEESA-N 0 3 432.572 -0.638 20 0 IBADHN NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NC1CCN(C(=O)C(F)(F)F)CC1 ZINC001255979952 1073599721 /nfs/dbraw/zinc/59/97/21/1073599721.db2.gz JGGFOPZOLDUXTN-GJZGRUSLSA-N 0 3 430.427 -0.297 20 0 IBADHN CCOC(=O)N1CC[C@H](N[C@H]2[C@@H](O)[C@H](n3cnc4c3ncnc4N(C)C)O[C@@H]2CO)C1 ZINC001256021438 1073599898 /nfs/dbraw/zinc/59/98/98/1073599898.db2.gz VCNPQOJJPRLTQE-DBGJGPROSA-N 0 3 435.485 -0.668 20 0 IBADHN CCOC(=O)N1CC[C@@H](N[C@H]2[C@@H](O)[C@H](n3cnc4c3ncnc4N(C)C)O[C@@H]2CO)C1 ZINC001256021439 1073599828 /nfs/dbraw/zinc/59/98/28/1073599828.db2.gz VCNPQOJJPRLTQE-VTRIPGNTSA-N 0 3 435.485 -0.668 20 0 IBADHN C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC1CCN(c2ncccn2)CC1)C(N)=O ZINC001256056582 1073600742 /nfs/dbraw/zinc/60/07/42/1073600742.db2.gz PRMSYOIQMVMCFO-CCKFTAQKSA-N 0 3 442.520 -0.297 20 0 IBADHN NC(=O)[C@H](CO)NC(=O)[C@H](Cc1ccc(O)cc1)NC1CCN(c2ncccn2)CC1 ZINC001256057152 1073600801 /nfs/dbraw/zinc/60/08/01/1073600801.db2.gz ZKFTYRJZTVWBHQ-ROUUACIJSA-N 0 3 428.493 -0.686 20 0 IBADHN COC(=O)C1CC2(C1)C[C@@H](NC(=O)N1CCN(CCN(C)C)C(=O)C1)CCS2(=O)=O ZINC001256203020 1073601897 /nfs/dbraw/zinc/60/18/97/1073601897.db2.gz NBYHHXMLFQFAGK-HVEKOLDVSA-N 0 3 444.554 -0.699 20 0 IBADHN COC(=O)C1CC2(C1)C[C@H](NC(=O)N1CCN(CCN(C)C)C(=O)C1)CCS2(=O)=O ZINC001256203120 1073602002 /nfs/dbraw/zinc/60/20/02/1073602002.db2.gz NBYHHXMLFQFAGK-XAUUPUKJSA-N 0 3 444.554 -0.699 20 0 IBADHN CCOC(=O)[C@H]1CC[C@H](N[C@H]2[C@@H](O)[C@H](n3cnc4c3ncnc4N(C)C)O[C@@H]2CO)C1 ZINC001257035631 1073609070 /nfs/dbraw/zinc/60/90/70/1073609070.db2.gz CMRRWSDOJSJRBJ-GCMXLABGSA-N 0 3 434.497 -0.167 20 0 IBADHN CCOC(=O)[C@@H]1CC[C@H](N[C@H]2[C@@H](O)[C@H](n3cnc4c3ncnc4N(C)C)O[C@@H]2CO)C1 ZINC001257035633 1073608787 /nfs/dbraw/zinc/60/87/87/1073608787.db2.gz CMRRWSDOJSJRBJ-MQLKKTCASA-N 0 3 434.497 -0.167 20 0 IBADHN CCOC(=O)[C@@H]1CC[C@@H](N[C@H]2[C@@H](O)[C@H](n3cnc4c3ncnc4N(C)C)O[C@@H]2CO)C1 ZINC001257035634 1073608865 /nfs/dbraw/zinc/60/88/65/1073608865.db2.gz CMRRWSDOJSJRBJ-ORTGJZJFSA-N 0 3 434.497 -0.167 20 0 IBADHN CCOC(=O)[C@H]1CC[C@@H](N[C@H]2[C@@H](O)[C@H](n3cnc4c3ncnc4N(C)C)O[C@@H]2CO)C1 ZINC001257035635 1073609123 /nfs/dbraw/zinc/60/91/23/1073609123.db2.gz CMRRWSDOJSJRBJ-VYHAZPDBSA-N 0 3 434.497 -0.167 20 0 IBADHN CCOC(=O)[C@@H]1CC[C@H](N[C@@H](C)C(=O)NCC(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)C1 ZINC001257048363 1073609628 /nfs/dbraw/zinc/60/96/28/1073609628.db2.gz UZPCMAMOTNXPKV-DNMXQMFDSA-N 0 3 448.520 -0.269 20 0 IBADHN CCOC(=O)[C@H]1CC[C@H](N[C@@H](C)C(=O)NCC(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)C1 ZINC001257048364 1073609512 /nfs/dbraw/zinc/60/95/12/1073609512.db2.gz UZPCMAMOTNXPKV-MBGYTDRXSA-N 0 3 448.520 -0.269 20 0 IBADHN CCOC(=O)[C@H]1CC[C@@H](N[C@@H](C)C(=O)NCC(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)C1 ZINC001257048365 1073609646 /nfs/dbraw/zinc/60/96/46/1073609646.db2.gz UZPCMAMOTNXPKV-SCNOPHJPSA-N 0 3 448.520 -0.269 20 0 IBADHN CCOC(=O)[C@@H]1CC[C@@H](N[C@@H](C)C(=O)NCC(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)C1 ZINC001257048366 1073609532 /nfs/dbraw/zinc/60/95/32/1073609532.db2.gz UZPCMAMOTNXPKV-ZDRJDWQYSA-N 0 3 448.520 -0.269 20 0 IBADHN CC(C)[C@H](NC(=O)[C@@H](Cc1ccc(O)cc1)NC1CCN(S(C)(=O)=O)CC1)C(N)=O ZINC001257232588 1073610383 /nfs/dbraw/zinc/61/03/83/1073610383.db2.gz ACTVKBPXTQXCHB-MSOLQXFVSA-N 0 3 440.566 -0.057 20 0 IBADHN CS(=O)(=O)N1CCC(N2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@H]3C(=O)N2CCOCC2)CC1 ZINC001257234500 1073610424 /nfs/dbraw/zinc/61/04/24/1073610424.db2.gz NFLJNILPZMSYTD-BRWVUGGUSA-N 0 3 449.595 -0.996 20 0 IBADHN CS(=O)(=O)N1CCC(N2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@@H]3C(=O)N2CCOCC2)CC1 ZINC001257234501 1073610359 /nfs/dbraw/zinc/61/03/59/1073610359.db2.gz NFLJNILPZMSYTD-GVDBMIGSSA-N 0 3 449.595 -0.996 20 0 IBADHN COC(=O)[C@@H]1CC[C@@H](N[C@@H](Cc2ccc(O)cc2)C(=O)NCC(N)=O)C[C@H]1C(=O)OC ZINC001257731809 1073612563 /nfs/dbraw/zinc/61/25/63/1073612563.db2.gz CBYNMKNQYZCAFH-DZUCGIPZSA-N 0 3 435.477 -0.375 20 0 IBADHN COC(=O)[C@@H]1CC[C@H](N[C@@H](Cc2ccc(O)cc2)C(=O)NCC(N)=O)C[C@H]1C(=O)OC ZINC001257731814 1073613326 /nfs/dbraw/zinc/61/33/26/1073613326.db2.gz CBYNMKNQYZCAFH-SVGFKBNWSA-N 0 3 435.477 -0.375 20 0 IBADHN COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)N[C@H]1CC[C@@H](C(=O)OC)[C@H](C(=O)OC)C1 ZINC001257733084 1073613290 /nfs/dbraw/zinc/61/32/90/1073613290.db2.gz UQPUERYORYWSNF-GXYBRJDSSA-N 0 3 443.497 -0.722 20 0 IBADHN COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)N[C@@H]1CC[C@@H](C(=O)OC)[C@H](C(=O)OC)C1 ZINC001257733085 1073613281 /nfs/dbraw/zinc/61/32/81/1073613281.db2.gz UQPUERYORYWSNF-PKCACUDHSA-N 0 3 443.497 -0.722 20 0 IBADHN COC(=O)[C@@H]1CC[C@@H](NCC(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)C[C@H]1C(=O)OC ZINC001257735374 1073613317 /nfs/dbraw/zinc/61/33/17/1073613317.db2.gz WZCLLDCOOQEUDC-DZUCGIPZSA-N 0 3 435.477 -0.375 20 0 IBADHN COC(=O)[C@@H]1CC[C@H](NCC(=O)N[C@@H](Cc2ccc(O)cc2)C(N)=O)C[C@H]1C(=O)OC ZINC001257735375 1073613350 /nfs/dbraw/zinc/61/33/50/1073613350.db2.gz WZCLLDCOOQEUDC-SVGFKBNWSA-N 0 3 435.477 -0.375 20 0 IBADHN COC(=O)CCS(=O)(=O)CC[C@@H](C)NC[C@H]1OCCc2cn(CC(=O)N(C)C)nc21 ZINC001257916037 1073614077 /nfs/dbraw/zinc/61/40/77/1073614077.db2.gz SKURZKNENZDVDE-GDBMZVCRSA-N 0 3 444.554 -0.069 20 0 IBADHN COC(=O)CCS(=O)(=O)CC[C@H](C)NC[C@H]1OCCc2cn(CC(=O)N(C)C)nc21 ZINC001257916048 1073614039 /nfs/dbraw/zinc/61/40/39/1073614039.db2.gz SKURZKNENZDVDE-GOEBONIOSA-N 0 3 444.554 -0.069 20 0 IBADHN COC(=O)CCS(=O)(=O)CC[C@H](C)NC[C@@H]1OCCc2cn(CC(=O)N(C)C)nc21 ZINC001257916050 1073613978 /nfs/dbraw/zinc/61/39/78/1073613978.db2.gz SKURZKNENZDVDE-HOCLYGCPSA-N 0 3 444.554 -0.069 20 0 IBADHN COC(=O)CCS(=O)(=O)CC[C@@H](C)NC[C@@H]1OCCc2cn(CC(=O)N(C)C)nc21 ZINC001257916051 1073614020 /nfs/dbraw/zinc/61/40/20/1073614020.db2.gz SKURZKNENZDVDE-ZBFHGGJFSA-N 0 3 444.554 -0.069 20 0 IBADHN COC(=O)CCS(=O)(=O)CC[C@H](C)N[C@H]1C[C@H](n2cc(C)c(=O)[nH]c2=O)O[C@@H]1CO ZINC001257926208 1073613948 /nfs/dbraw/zinc/61/39/48/1073613948.db2.gz LUMIEQKQTKWQBC-BYNSBNAKSA-N 0 3 447.510 -0.748 20 0 IBADHN COC(=O)CCS(=O)(=O)CC[C@@H](C)N[C@H]1C[C@H](n2cc(C)c(=O)[nH]c2=O)O[C@@H]1CO ZINC001257926216 1073614010 /nfs/dbraw/zinc/61/40/10/1073614010.db2.gz LUMIEQKQTKWQBC-LXTVHRRPSA-N 0 3 447.510 -0.748 20 0 IBADHN CCOC(=O)CC[C@@H](C)N[C@@H](C)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O ZINC001258485420 1073619196 /nfs/dbraw/zinc/61/91/96/1073619196.db2.gz DWZOTSCPMMZJFL-KEYYUXOJSA-N 0 3 436.509 -0.269 20 0 IBADHN CCOC(=O)CC[C@H](C)N[C@@H](C)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O ZINC001258485423 1073619207 /nfs/dbraw/zinc/61/92/07/1073619207.db2.gz DWZOTSCPMMZJFL-ZQIUZPCESA-N 0 3 436.509 -0.269 20 0 IBADHN CC1(C)COC2(CCC(N[C@H]3[C@H](n4ccc(=O)[nH]c4=O)O[C@H](CO)[C@H]3O)CC2)OC1 ZINC001258520491 1073619245 /nfs/dbraw/zinc/61/92/45/1073619245.db2.gz XMNNNOWWVNIBDA-MWQQHZPXSA-N 0 3 425.482 -0.130 20 0 IBADHN O=c1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2N[C@H]2CCC(=O)N(Cc3ccccc3)CC2)c(=O)[nH]1 ZINC001258579237 1073619858 /nfs/dbraw/zinc/61/98/58/1073619858.db2.gz YFZXRFPEQOTUSE-AKJHWKIKSA-N 0 3 444.488 -0.261 20 0 IBADHN O=c1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2N[C@@H]2CCC(=O)N(Cc3ccccc3)CC2)c(=O)[nH]1 ZINC001258579245 1073619806 /nfs/dbraw/zinc/61/98/06/1073619806.db2.gz YFZXRFPEQOTUSE-HVXMAHFMSA-N 0 3 444.488 -0.261 20 0 IBADHN COc1cc(C[C@@H](C)NCC(=O)N2CCC[C@H]2C(=O)NCC(N)=O)cc(OC)c1OC ZINC001258865722 1073620586 /nfs/dbraw/zinc/62/05/86/1073620586.db2.gz ULSGVCHQWQERKX-HIFRSBDPSA-N 0 3 436.509 -0.175 20 0 IBADHN COc1cc(C[C@H](C)NCC(=O)N2CCC[C@H]2C(=O)NCC(N)=O)cc(OC)c1OC ZINC001258865723 1073620432 /nfs/dbraw/zinc/62/04/32/1073620432.db2.gz ULSGVCHQWQERKX-ZFWWWQNUSA-N 0 3 436.509 -0.175 20 0 IBADHN COC(=O)CS(=O)(=O)N1CCC2(CN(Cc3cccnc3)C[C@]23CCNC3=O)CC1 ZINC001259019481 1073622581 /nfs/dbraw/zinc/62/25/81/1073622581.db2.gz HBCHEWHOFONPKM-FQEVSTJZSA-N 0 3 436.534 -0.012 20 0 IBADHN COC(=O)CS(=O)(=O)N1CCC2(CN(Cc3cccnc3)C[C@@]23CCNC3=O)CC1 ZINC001259019482 1073622696 /nfs/dbraw/zinc/62/26/96/1073622696.db2.gz HBCHEWHOFONPKM-HXUWFJFHSA-N 0 3 436.534 -0.012 20 0 IBADHN Cc1nn(C)c(C)c1S(=O)(=O)N1CCC2(CC1)C(=O)N(CCN(C)C)CCN2C ZINC001260107814 1073640957 /nfs/dbraw/zinc/64/09/57/1073640957.db2.gz OZUUCXARIKWIQI-UHFFFAOYSA-N 0 3 426.587 -0.104 20 0 IBADHN CN(C)Cc1cc(=O)n2c(n1)CN(S(=O)(=O)c1nc3nc(Cl)ccn3n1)CCC2 ZINC001260170210 1073642900 /nfs/dbraw/zinc/64/29/00/1073642900.db2.gz ZZVUOBOBUNLSCX-UHFFFAOYSA-N 0 3 438.901 -0.009 20 0 IBADHN CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N2CCN(CCN(C)C)C(=O)C2)c1 ZINC001278180377 1073482814 /nfs/dbraw/zinc/48/28/14/1073482814.db2.gz ULBKSPMHTFHPCK-UHFFFAOYSA-N 0 3 441.554 -0.889 20 0 IBADHN CC(C)CN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCS(=O)(=O)N(C)C)CC1 ZINC001287769247 1073692689 /nfs/dbraw/zinc/69/26/89/1073692689.db2.gz NLHWHRBREHIUIH-HNNXBMFYSA-N 0 3 427.575 -0.101 20 0 IBADHN CC(C)CN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCS(=O)(=O)N(C)C)CC1 ZINC001287769249 1073692732 /nfs/dbraw/zinc/69/27/32/1073692732.db2.gz NLHWHRBREHIUIH-OAHLLOKOSA-N 0 3 427.575 -0.101 20 0 IBADHN CC(C)NC(=O)c1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1Cc1cnn(C)c1 ZINC001288147215 1073698412 /nfs/dbraw/zinc/69/84/12/1073698412.db2.gz IQNYLWNEANDHJI-KRWDZBQOSA-N 0 3 443.556 -0.059 20 0 IBADHN CC(C)NC(=O)c1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1Cc1cnn(C)c1 ZINC001288147216 1073698331 /nfs/dbraw/zinc/69/83/31/1073698331.db2.gz IQNYLWNEANDHJI-QGZVFWFLSA-N 0 3 443.556 -0.059 20 0 IBADHN CC(C)NC(=O)c1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1C[C@@H]1COCCO1 ZINC001288147227 1073698280 /nfs/dbraw/zinc/69/82/80/1073698280.db2.gz IUSVJCUNYFEMDQ-IAGOWNOFSA-N 0 3 449.556 -0.426 20 0 IBADHN CC(C)NC(=O)c1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1C[C@@H]1COCCO1 ZINC001288147228 1073698151 /nfs/dbraw/zinc/69/81/51/1073698151.db2.gz IUSVJCUNYFEMDQ-SJORKVTESA-N 0 3 449.556 -0.426 20 0 IBADHN CC(C)NC(=O)c1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1Cc1nncn1C ZINC001288148845 1073698257 /nfs/dbraw/zinc/69/82/57/1073698257.db2.gz ZQHWRHCKTUJKOH-HNNXBMFYSA-N 0 3 444.544 -0.664 20 0 IBADHN CC(C)NC(=O)c1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1Cc1nncn1C ZINC001288148846 1073698173 /nfs/dbraw/zinc/69/81/73/1073698173.db2.gz ZQHWRHCKTUJKOH-OAHLLOKOSA-N 0 3 444.544 -0.664 20 0 IBADHN CC(C)NC(=O)c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1CCn1cncn1 ZINC001288150707 1073698108 /nfs/dbraw/zinc/69/81/08/1073698108.db2.gz AKGLAUVNTCORQH-UHFFFAOYSA-N 0 3 444.544 -0.548 20 0 IBADHN CC(C)NC(=O)c1nnc(N2CCN(S(C)(=O)=O)CC2)n1CCN1CCCCC1 ZINC001288167563 1073699552 /nfs/dbraw/zinc/69/95/52/1073699552.db2.gz XHFGIDUAXBKCRN-UHFFFAOYSA-N 0 3 427.575 -0.016 20 0 IBADHN CC(C)NC(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001288227432 1073701538 /nfs/dbraw/zinc/70/15/38/1073701538.db2.gz BMUPAJVFBLDIGD-UHFFFAOYSA-N 0 3 448.572 -0.315 20 0 IBADHN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C(C)(C)C)CC2)n1Cc1nncn1C ZINC001288859401 1073715599 /nfs/dbraw/zinc/71/55/99/1073715599.db2.gz KMAQOKQXUPWFAK-CYBMUJFWSA-N 0 3 425.563 -0.014 20 0 IBADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(C)(C)C)CC2)n1Cc1nncn1C ZINC001288859402 1073715464 /nfs/dbraw/zinc/71/54/64/1073715464.db2.gz KMAQOKQXUPWFAK-ZDUSSCGKSA-N 0 3 425.563 -0.014 20 0 IBADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3CCOC[C@H]3C2)n1CCN1CC=CCC1 ZINC001288870361 1073717832 /nfs/dbraw/zinc/71/78/32/1073717832.db2.gz OXMNZGMRGJOKAO-DLBZAZTESA-N 0 3 439.586 -0.329 20 0 IBADHN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN3CCOC[C@H]3C2)n1CCN1CC=CCC1 ZINC001288870362 1073718549 /nfs/dbraw/zinc/71/85/49/1073718549.db2.gz OXMNZGMRGJOKAO-IAGOWNOFSA-N 0 3 439.586 -0.329 20 0 IBADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3CCOC[C@@H]3C2)n1CCN1CC=CCC1 ZINC001288870363 1073718629 /nfs/dbraw/zinc/71/86/29/1073718629.db2.gz OXMNZGMRGJOKAO-IRXDYDNUSA-N 0 3 439.586 -0.329 20 0 IBADHN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN3CCOC[C@@H]3C2)n1CCN1CC=CCC1 ZINC001288870364 1073718456 /nfs/dbraw/zinc/71/84/56/1073718456.db2.gz OXMNZGMRGJOKAO-SJORKVTESA-N 0 3 439.586 -0.329 20 0 IBADHN CN(C)CCn1c2cc(C(=O)N(C)CC(=O)N[C@H]3CCS(=O)(=O)C3)ccc2[nH]c1=O ZINC001290931508 1073734471 /nfs/dbraw/zinc/73/44/71/1073734471.db2.gz LYEUZBOWTSOICK-AWEZNQCLSA-N 0 3 437.522 -0.321 20 0 IBADHN CN(C)CCn1c2cc(C(=O)N(C)CC(=O)N[C@@H]3CCS(=O)(=O)C3)ccc2[nH]c1=O ZINC001290931509 1073734818 /nfs/dbraw/zinc/73/48/18/1073734818.db2.gz LYEUZBOWTSOICK-CQSZACIVSA-N 0 3 437.522 -0.321 20 0 IBADHN CC(C)NC(=O)c1nnc(N2CCN3C(=O)C(=O)NC[C@H]3C2)n1CCN1CCC(C)CC1 ZINC001291183517 1073737193 /nfs/dbraw/zinc/73/71/93/1073737193.db2.gz VOJYGVALTLYTOQ-INIZCTEOSA-N 0 3 446.556 -0.705 20 0 IBADHN CC(C)NC(=O)c1nnc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)n1CCN1CCC(C)CC1 ZINC001291183518 1073737155 /nfs/dbraw/zinc/73/71/55/1073737155.db2.gz VOJYGVALTLYTOQ-MRXNPFEDSA-N 0 3 446.556 -0.705 20 0 IBADHN CN(C)CCN(CC(=O)OC(C)(C)C)C(=O)[C@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC001292439575 1073748897 /nfs/dbraw/zinc/74/88/97/1073748897.db2.gz HHMYUSVGXCMNEK-KRWDZBQOSA-N 0 3 426.558 -0.101 20 0 IBADHN CN(C)CCN(CC(=O)OC(C)(C)C)C(=O)[C@@H]1CC(=O)N(CCN2CCOCC2)C1 ZINC001292439577 1073749125 /nfs/dbraw/zinc/74/91/25/1073749125.db2.gz HHMYUSVGXCMNEK-QGZVFWFLSA-N 0 3 426.558 -0.101 20 0 IBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)CNc1ccc(S(N)(=O)=O)cc1F ZINC001292637009 1073749591 /nfs/dbraw/zinc/74/95/91/1073749591.db2.gz YQWNBKNHINBESN-INIZCTEOSA-N 0 3 429.518 -0.056 20 0 IBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)CNc1ccc(S(N)(=O)=O)cc1F ZINC001292637010 1073749519 /nfs/dbraw/zinc/74/95/19/1073749519.db2.gz YQWNBKNHINBESN-MRXNPFEDSA-N 0 3 429.518 -0.056 20 0 IBADHN CCc1nnc(N2CCN(C(=O)C(=O)NC3CC3)CC2)n1CCN1CCN(C)C(C)(C)C1 ZINC001293075194 1073754327 /nfs/dbraw/zinc/75/43/27/1073754327.db2.gz FQNPKCMUDAKXEP-UHFFFAOYSA-N 0 3 446.600 -0.206 20 0 IBADHN CCN(CC)CC(=O)N1CCN(C(=O)[C@H]2OCC(=O)N(CC)[C@@H]2c2nccn2C)CC1 ZINC001293082758 1073755089 /nfs/dbraw/zinc/75/50/89/1073755089.db2.gz VMOMGDSBNOXTIL-OALUTQOASA-N 0 3 434.541 -0.279 20 0 IBADHN CCc1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1CCCn1cc(CO)nn1 ZINC001293083286 1073755028 /nfs/dbraw/zinc/75/50/28/1073755028.db2.gz MKDNUGSCNZEYLD-KRWDZBQOSA-N 0 3 431.545 -0.243 20 0 IBADHN CCc1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1CCCn1cc(CO)nn1 ZINC001293083287 1073755082 /nfs/dbraw/zinc/75/50/82/1073755082.db2.gz MKDNUGSCNZEYLD-QGZVFWFLSA-N 0 3 431.545 -0.243 20 0 IBADHN CCc1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1CCCNS(=O)(=O)CC ZINC001293085520 1073755738 /nfs/dbraw/zinc/75/57/38/1073755738.db2.gz GBRUCLDDNHIKBY-UHFFFAOYSA-N 0 3 441.602 -0.086 20 0 IBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)[C@@H](CC(N)=O)NC(=O)Cc2cccc(F)c2)CC1 ZINC001295385220 1073771778 /nfs/dbraw/zinc/77/17/78/1073771778.db2.gz SFHRXYOOORLIMI-MSOLQXFVSA-N 0 3 447.511 -0.507 20 0 IBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@@H](CC(N)=O)NC(=O)Cc2cccc(F)c2)CC1 ZINC001295385221 1073771711 /nfs/dbraw/zinc/77/17/11/1073771711.db2.gz SFHRXYOOORLIMI-QZTJIDSGSA-N 0 3 447.511 -0.507 20 0 IBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)[C@H](CC(N)=O)NC(=O)Cc2cccc(F)c2)CC1 ZINC001295385222 1073771833 /nfs/dbraw/zinc/77/18/33/1073771833.db2.gz SFHRXYOOORLIMI-ROUUACIJSA-N 0 3 447.511 -0.507 20 0 IBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)[C@H](CC(N)=O)NC(=O)Cc2cccc(F)c2)CC1 ZINC001295385223 1073772476 /nfs/dbraw/zinc/77/24/76/1073772476.db2.gz SFHRXYOOORLIMI-ZWKOTPCHSA-N 0 3 447.511 -0.507 20 0 IBADHN COc1ccc(S(N)(=O)=O)c(OC)c1C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001295385888 1073772290 /nfs/dbraw/zinc/77/22/90/1073772290.db2.gz XQPMUADANTWCBY-CYBMUJFWSA-N 0 3 440.522 -0.270 20 0 IBADHN COc1ccc(S(N)(=O)=O)c(OC)c1C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001295385891 1073772239 /nfs/dbraw/zinc/77/22/39/1073772239.db2.gz XQPMUADANTWCBY-ZDUSSCGKSA-N 0 3 440.522 -0.270 20 0 IBADHN COCCn1cc(N2C[C@H](C(=O)N3CCN(C(=O)[C@@H]4CCCN4C)CC3)CC2=O)cn1 ZINC001295386171 1073772363 /nfs/dbraw/zinc/77/23/63/1073772363.db2.gz ZUSROSBFXBEDSG-AEFFLSMTSA-N 0 3 432.525 -0.353 20 0 IBADHN COCCn1cc(N2C[C@@H](C(=O)N3CCN(C(=O)[C@H]4CCCN4C)CC3)CC2=O)cn1 ZINC001295386173 1073772522 /nfs/dbraw/zinc/77/25/22/1073772522.db2.gz ZUSROSBFXBEDSG-FUHWJXTLSA-N 0 3 432.525 -0.353 20 0 IBADHN COCCn1cc(N2C[C@H](C(=O)N3CCN(C(=O)[C@H]4CCCN4C)CC3)CC2=O)cn1 ZINC001295386175 1073772417 /nfs/dbraw/zinc/77/24/17/1073772417.db2.gz ZUSROSBFXBEDSG-SJLPKXTDSA-N 0 3 432.525 -0.353 20 0 IBADHN COCCn1cc(N2C[C@@H](C(=O)N3CCN(C(=O)[C@@H]4CCCN4C)CC3)CC2=O)cn1 ZINC001295386177 1073772313 /nfs/dbraw/zinc/77/23/13/1073772313.db2.gz ZUSROSBFXBEDSG-WMZOPIPTSA-N 0 3 432.525 -0.353 20 0 IBADHN CCN(CC)CC(=O)N1CCN(c2nnc(C(C)C)n2CCNS(C)(=O)=O)CC1 ZINC001295479392 1073772345 /nfs/dbraw/zinc/77/23/45/1073772345.db2.gz FAUQFOGBKPXOFS-UHFFFAOYSA-N 0 3 429.591 -0.059 20 0 IBADHN CCN(CC)CC(=O)N1CCN(c2nnc(C(=O)NC(C)C)n2CCC(=O)NC)CC1 ZINC001295481298 1073772377 /nfs/dbraw/zinc/77/23/77/1073772377.db2.gz UHVZIXOBMCVNRL-UHFFFAOYSA-N 0 3 436.561 -0.457 20 0 IBADHN CCN(CC)CC(=O)N1CCN(c2nnc(C3CC3)n2CCS(=O)(=O)NC)CC1 ZINC001295482985 1073772401 /nfs/dbraw/zinc/77/24/01/1073772401.db2.gz AECQEYFPRKICES-UHFFFAOYSA-N 0 3 427.575 -0.305 20 0 IBADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3cnn(C)c3)n2CC(=O)N(C)C)CC1 ZINC001295483382 1073772432 /nfs/dbraw/zinc/77/24/32/1073772432.db2.gz CYQNTJVHNFMICO-UHFFFAOYSA-N 0 3 431.545 -0.243 20 0 IBADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCC(=O)N(C)C)CC1 ZINC001295483830 1073772985 /nfs/dbraw/zinc/77/29/85/1073772985.db2.gz IYLLLJSXOUTWDQ-INIZCTEOSA-N 0 3 448.572 -0.302 20 0 IBADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCC(=O)N(C)C)CC1 ZINC001295483831 1073773068 /nfs/dbraw/zinc/77/30/68/1073773068.db2.gz IYLLLJSXOUTWDQ-MRXNPFEDSA-N 0 3 448.572 -0.302 20 0 IBADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@H]3CCOC3)n2Cc2cnnn2C)CC1 ZINC001295484274 1073772911 /nfs/dbraw/zinc/77/29/11/1073772911.db2.gz KPNYOSLFSQHHLE-INIZCTEOSA-N 0 3 431.545 -0.051 20 0 IBADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@@H]3CCOC3)n2Cc2cnnn2C)CC1 ZINC001295484275 1073772930 /nfs/dbraw/zinc/77/29/30/1073772930.db2.gz KPNYOSLFSQHHLE-MRXNPFEDSA-N 0 3 431.545 -0.051 20 0 IBADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ncn(C)n2)CC1 ZINC001295485541 1073773025 /nfs/dbraw/zinc/77/30/25/1073773025.db2.gz XWWIGVPFTJGJJI-HNNXBMFYSA-N 0 3 444.544 -0.604 20 0 IBADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ncn(C)n2)CC1 ZINC001295485544 1073773147 /nfs/dbraw/zinc/77/31/47/1073773147.db2.gz XWWIGVPFTJGJJI-OAHLLOKOSA-N 0 3 444.544 -0.604 20 0 IBADHN CCN1CCN([C@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCOCC2)CC1 ZINC001296120735 1073779715 /nfs/dbraw/zinc/77/97/15/1073779715.db2.gz KNZIQCFFDVAAEO-CVEARBPZSA-N 0 3 429.591 -0.249 20 0 IBADHN CCN1CCN([C@@H](C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCOCC2)CC1 ZINC001296120736 1073779822 /nfs/dbraw/zinc/77/98/22/1073779822.db2.gz KNZIQCFFDVAAEO-HOTGVXAUSA-N 0 3 429.591 -0.249 20 0 IBADHN CCN1CCN([C@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCOCC2)CC1 ZINC001296120737 1073779640 /nfs/dbraw/zinc/77/96/40/1073779640.db2.gz KNZIQCFFDVAAEO-HZPDHXFCSA-N 0 3 429.591 -0.249 20 0 IBADHN CCN1CCN([C@@H](C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCOCC2)CC1 ZINC001296120738 1073779662 /nfs/dbraw/zinc/77/96/62/1073779662.db2.gz KNZIQCFFDVAAEO-JKSUJKDBSA-N 0 3 429.591 -0.249 20 0 IBADHN CCN1CCN([C@@H](C)Cn2c(CN3CCCC3=O)nnc2N2CCNC(=O)CC2)CC1 ZINC001296132340 1073779684 /nfs/dbraw/zinc/77/96/84/1073779684.db2.gz BBCSVYMCUCBAFD-KRWDZBQOSA-N 0 3 432.573 -0.247 20 0 IBADHN CCN1CCN([C@H](C)Cn2c(CN3CCCC3=O)nnc2N2CCNC(=O)CC2)CC1 ZINC001296132341 1073779877 /nfs/dbraw/zinc/77/98/77/1073779877.db2.gz BBCSVYMCUCBAFD-QGZVFWFLSA-N 0 3 432.573 -0.247 20 0 IBADHN CCN1CCN([C@@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC(C(N)=O)CC2)CC1 ZINC001296133432 1073779857 /nfs/dbraw/zinc/77/98/57/1073779857.db2.gz UBZDMLHSJJZNLY-DOTOQJQBSA-N 0 3 432.573 -0.043 20 0 IBADHN CCN1CCN([C@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N2CCC(C(N)=O)CC2)CC1 ZINC001296133439 1073779840 /nfs/dbraw/zinc/77/98/40/1073779840.db2.gz UBZDMLHSJJZNLY-NVXWUHKLSA-N 0 3 432.573 -0.043 20 0 IBADHN CCN1CCN([C@@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC(C(N)=O)CC2)CC1 ZINC001296133440 1073779537 /nfs/dbraw/zinc/77/95/37/1073779537.db2.gz UBZDMLHSJJZNLY-RDJZCZTQSA-N 0 3 432.573 -0.043 20 0 IBADHN CCN1CCN([C@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCC(C(N)=O)CC2)CC1 ZINC001296133441 1073779736 /nfs/dbraw/zinc/77/97/36/1073779736.db2.gz UBZDMLHSJJZNLY-WBVHZDCISA-N 0 3 432.573 -0.043 20 0 IBADHN CCN1CCN(C[C@@H](C)Cn2c(CN3CCCC3=O)nnc2N2CCN(C)C(=O)C2)CC1 ZINC001296192497 1073781234 /nfs/dbraw/zinc/78/12/34/1073781234.db2.gz FMPBHDIJPNLINC-GOSISDBHSA-N 0 3 446.600 -0.048 20 0 IBADHN CCN1CCN(C[C@H](C)Cn2c(CN3CCCC3=O)nnc2N2CCN(C)C(=O)C2)CC1 ZINC001296192516 1073781339 /nfs/dbraw/zinc/78/13/39/1073781339.db2.gz FMPBHDIJPNLINC-SFHVURJKSA-N 0 3 446.600 -0.048 20 0 IBADHN CCN1CCN(C[C@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@@H](C(N)=O)C2)CC1 ZINC001296196960 1073781628 /nfs/dbraw/zinc/78/16/28/1073781628.db2.gz XBKYRMBFOQUMBM-BBWFWOEESA-N 0 3 432.573 -0.186 20 0 IBADHN CCN1CCN(C[C@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N2CC[C@@H](C(N)=O)C2)CC1 ZINC001296196961 1073781872 /nfs/dbraw/zinc/78/18/72/1073781872.db2.gz XBKYRMBFOQUMBM-GVDBMIGSSA-N 0 3 432.573 -0.186 20 0 IBADHN CCN1CCN(C[C@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC[C@H](C(N)=O)C2)CC1 ZINC001296196962 1073781907 /nfs/dbraw/zinc/78/19/07/1073781907.db2.gz XBKYRMBFOQUMBM-ULQDDVLXSA-N 0 3 432.573 -0.186 20 0 IBADHN CCN1CCN(C[C@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N2CC[C@H](C(N)=O)C2)CC1 ZINC001296196963 1073781675 /nfs/dbraw/zinc/78/16/75/1073781675.db2.gz XBKYRMBFOQUMBM-YESZJQIVSA-N 0 3 432.573 -0.186 20 0 IBADHN CCN1CCN(CCCn2c(C(=O)N3CCCC3)nnc2N2CCNC(=O)CC2)CC1 ZINC001296202203 1073781834 /nfs/dbraw/zinc/78/18/34/1073781834.db2.gz AZNHZWMMYSBHHS-UHFFFAOYSA-N 0 3 432.573 -0.132 20 0 IBADHN CCN1CCN(CCCn2c(C)nnc2N2CCN(C(=O)CN3CCOCC3)CC2)CC1 ZINC001296203090 1073781741 /nfs/dbraw/zinc/78/17/41/1073781741.db2.gz HURPZYUNZVUHIQ-UHFFFAOYSA-N 0 3 448.616 -0.405 20 0 IBADHN CCN1CCN(CCCn2c(C(=O)NC(C)C)nnc2N2CCN3C(=O)NC[C@H]3C2)CC1 ZINC001296203339 1073781815 /nfs/dbraw/zinc/78/18/15/1073781815.db2.gz LFFIIXZINQOTNJ-KRWDZBQOSA-N 0 3 447.588 -0.342 20 0 IBADHN CCN1CCN(CCCn2c(C(=O)NC(C)C)nnc2N2CCN3C(=O)NC[C@@H]3C2)CC1 ZINC001296203340 1073781892 /nfs/dbraw/zinc/78/18/92/1073781892.db2.gz LFFIIXZINQOTNJ-QGZVFWFLSA-N 0 3 447.588 -0.342 20 0 IBADHN CCN1CCN(CCCn2c(CN3CCCC3=O)nnc2N2CCNC(=O)CC2)CC1 ZINC001296212041 1073781766 /nfs/dbraw/zinc/78/17/66/1073781766.db2.gz SIWBXADIPTYFNW-UHFFFAOYSA-N 0 3 432.573 -0.246 20 0 IBADHN CCO[C@@]1(c2nnc(N3CCNC(=O)C3)n2CCN2CCN(C)C(C)(C)C2)CCOC1 ZINC001296660835 1073790355 /nfs/dbraw/zinc/79/03/55/1073790355.db2.gz GSALCJNQFLZUNG-NRFANRHFSA-N 0 3 435.573 -0.108 20 0 IBADHN CCO[C@]1(c2nnc(N3CCNC(=O)C3)n2CCN2CCN(C)C(C)(C)C2)CCOC1 ZINC001296660837 1073790289 /nfs/dbraw/zinc/79/02/89/1073790289.db2.gz GSALCJNQFLZUNG-OAQYLSRUSA-N 0 3 435.573 -0.108 20 0 IBADHN CCOCc1nnc(N2CCC(CN3CCOCC3)CC2)n1CCS(=O)(=O)NC ZINC001297152918 1073795305 /nfs/dbraw/zinc/79/53/05/1073795305.db2.gz FYQYEPALHYERRF-UHFFFAOYSA-N 0 3 430.575 -0.088 20 0 IBADHN CN(CC(=O)NC[C@H]1CCn2ncc(C(=O)N3CCN(C)CC3)c2C1)[C@@H]1CCC[C@H]1O ZINC001297662182 1073802743 /nfs/dbraw/zinc/80/27/43/1073802743.db2.gz HFEOCVPSXKYHDW-ILZDJORESA-N 0 3 432.569 -0.206 20 0 IBADHN CN(CC(=O)NC[C@@H]1CCn2ncc(C(=O)N3CCN(C)CC3)c2C1)[C@@H]1CCC[C@H]1O ZINC001297662184 1073802618 /nfs/dbraw/zinc/80/26/18/1073802618.db2.gz HFEOCVPSXKYHDW-YVWKXTFCSA-N 0 3 432.569 -0.206 20 0 IBADHN CCS(=O)(=O)NCCCn1c(C)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001297759696 1073806207 /nfs/dbraw/zinc/80/62/07/1073806207.db2.gz ZUBINJNQSMYDLX-UHFFFAOYSA-N 0 3 427.575 -0.340 20 0 IBADHN CN(C)C(=O)[C@@H]1CCCN1CCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@H](C(N)=O)C1 ZINC001297954551 1073812074 /nfs/dbraw/zinc/81/20/74/1073812074.db2.gz KNIULJUJXTWRHG-JYJNAYRXSA-N 0 3 446.556 -0.517 20 0 IBADHN CN(C)C(=O)[C@@H]1CCCN1CCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@@H](C(N)=O)C1 ZINC001297954552 1073812188 /nfs/dbraw/zinc/81/21/88/1073812188.db2.gz KNIULJUJXTWRHG-OAGGEKHMSA-N 0 3 446.556 -0.517 20 0 IBADHN CN(C)C(=O)[C@@H]1CCCN1CCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[C@@H](C(N)=O)C1 ZINC001297954553 1073812123 /nfs/dbraw/zinc/81/21/23/1073812123.db2.gz KNIULJUJXTWRHG-PMPSAXMXSA-N 0 3 446.556 -0.517 20 0 IBADHN CN(C)C(=O)[C@@H]1CCCN1CCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[C@H](C(N)=O)C1 ZINC001297954554 1073812366 /nfs/dbraw/zinc/81/23/66/1073812366.db2.gz KNIULJUJXTWRHG-XHSDSOJGSA-N 0 3 446.556 -0.517 20 0 IBADHN CN(C)C(=O)[C@@H]1CCCN1CCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C)C(=O)C1 ZINC001297955471 1073812435 /nfs/dbraw/zinc/81/24/35/1073812435.db2.gz SRJULBBEKGGHAK-CVEARBPZSA-N 0 3 446.556 -0.550 20 0 IBADHN CN(C)C(=O)[C@@H]1CCCN1CCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C)C(=O)C1 ZINC001297955472 1073812211 /nfs/dbraw/zinc/81/22/11/1073812211.db2.gz SRJULBBEKGGHAK-HOTGVXAUSA-N 0 3 446.556 -0.550 20 0 IBADHN CN(C)C(=O)[C@H]1CCCN1CCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C)C(=O)C1 ZINC001297955473 1073812235 /nfs/dbraw/zinc/81/22/35/1073812235.db2.gz SRJULBBEKGGHAK-HZPDHXFCSA-N 0 3 446.556 -0.550 20 0 IBADHN CN(C)C(=O)[C@H]1CCCN1CCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C)C(=O)C1 ZINC001297955474 1073812287 /nfs/dbraw/zinc/81/22/87/1073812287.db2.gz SRJULBBEKGGHAK-JKSUJKDBSA-N 0 3 446.556 -0.550 20 0 IBADHN CN(C)C(=O)Cn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001297995128 1073813914 /nfs/dbraw/zinc/81/39/14/1073813914.db2.gz KSMMNFKXWGIWHU-UHFFFAOYSA-N 0 3 446.556 -0.653 20 0 IBADHN CN(C)C(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001297998604 1073813810 /nfs/dbraw/zinc/81/38/10/1073813810.db2.gz IJXSXBCDHBWRLT-INIZCTEOSA-N 0 3 429.529 -0.490 20 0 IBADHN CN(C)C(=O)Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001297998605 1073814048 /nfs/dbraw/zinc/81/40/48/1073814048.db2.gz IJXSXBCDHBWRLT-MRXNPFEDSA-N 0 3 429.529 -0.490 20 0 IBADHN O=C(N[C@H]1CCCN(CCCO)C1)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1 ZINC001298083523 1073817443 /nfs/dbraw/zinc/81/74/43/1073817443.db2.gz JFMGVWZYSOQRNC-JZXOWHBKSA-N 0 3 429.514 -0.087 20 0 IBADHN O=C(N[C@@H]1CCCN(CCCO)C1)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1 ZINC001298083524 1073817219 /nfs/dbraw/zinc/81/72/19/1073817219.db2.gz JFMGVWZYSOQRNC-NUJGCVRESA-N 0 3 429.514 -0.087 20 0 IBADHN CN1CCN(CC2CN(C(=O)[C@H](CO)NS(=O)(=O)c3ccc(Cl)cc3)C2)CC1 ZINC001298437136 1073822872 /nfs/dbraw/zinc/82/28/72/1073822872.db2.gz CITYIYINMULSCI-KRWDZBQOSA-N 0 3 430.958 -0.315 20 0 IBADHN CN1CCN(CC2CN(C(=O)[C@@H](CO)NS(=O)(=O)c3ccc(Cl)cc3)C2)CC1 ZINC001298437138 1073822999 /nfs/dbraw/zinc/82/29/99/1073822999.db2.gz CITYIYINMULSCI-QGZVFWFLSA-N 0 3 430.958 -0.315 20 0 IBADHN COc1ccc(S(=O)(=O)NCC(=O)N2CC(CN3CCN(C)CC3)C2)cc1OC ZINC001298437573 1073822806 /nfs/dbraw/zinc/82/28/06/1073822806.db2.gz IXQCLXKKAXIQEF-UHFFFAOYSA-N 0 3 426.539 -0.312 20 0 IBADHN CN(CCS(C)(=O)=O)c1nnc([C@@H]2CCC(=O)N2)n1CCN1CCN(C)C(C)(C)C1 ZINC001298777796 1073827682 /nfs/dbraw/zinc/82/76/82/1073827682.db2.gz LRXGSWXSRMVTFR-HNNXBMFYSA-N 0 3 441.602 -0.264 20 0 IBADHN CN(CCS(C)(=O)=O)c1nnc([C@H]2CCC(=O)N2)n1CCN1CCN(C)C(C)(C)C1 ZINC001298777797 1073827638 /nfs/dbraw/zinc/82/76/38/1073827638.db2.gz LRXGSWXSRMVTFR-OAHLLOKOSA-N 0 3 441.602 -0.264 20 0 IBADHN COCCN(C)CCN1C[C@H](NC(=O)c2cc(S(C)(=O)=O)c(OC)cc2N)CC1=O ZINC001298845398 1073829813 /nfs/dbraw/zinc/82/98/13/1073829813.db2.gz BLFKEDIBDLMILK-CYBMUJFWSA-N 0 3 442.538 -0.410 20 0 IBADHN COCCN(C)CCN1C[C@@H](NC(=O)c2cc(S(C)(=O)=O)c(OC)cc2N)CC1=O ZINC001298845399 1073829849 /nfs/dbraw/zinc/82/98/49/1073829849.db2.gz BLFKEDIBDLMILK-ZDUSSCGKSA-N 0 3 442.538 -0.410 20 0 IBADHN CCS(=O)(=O)c1c[nH]c(=O)c(C(=O)N[C@@H]2CC(=O)N(CCN(C)CCOC)C2)c1 ZINC001298845426 1073829669 /nfs/dbraw/zinc/82/96/69/1073829669.db2.gz CAHYJPJBQOGKAZ-CYBMUJFWSA-N 0 3 428.511 -0.510 20 0 IBADHN CCS(=O)(=O)c1c[nH]c(=O)c(C(=O)N[C@H]2CC(=O)N(CCN(C)CCOC)C2)c1 ZINC001298845427 1073829656 /nfs/dbraw/zinc/82/96/56/1073829656.db2.gz CAHYJPJBQOGKAZ-ZDUSSCGKSA-N 0 3 428.511 -0.510 20 0 IBADHN CN1CCC[C@H]1C(=O)N1CCN(c2nnc(C3CC3)n2CCNS(C)(=O)=O)CC1 ZINC001298889424 1073833161 /nfs/dbraw/zinc/83/31/61/1073833161.db2.gz SARMZSKTRPSFNY-HNNXBMFYSA-N 0 3 425.559 -0.553 20 0 IBADHN CN1CCC[C@@H]1C(=O)N1CCN(c2nnc(C3CC3)n2CCNS(C)(=O)=O)CC1 ZINC001298889426 1073833223 /nfs/dbraw/zinc/83/32/23/1073833223.db2.gz SARMZSKTRPSFNY-OAHLLOKOSA-N 0 3 425.559 -0.553 20 0 IBADHN CNC(=O)[C@H]1CN(c2nnc(C(=O)NC(C)C)n2C[C@]2(N(C)C)CCSC2)CCO1 ZINC001299128211 1073840265 /nfs/dbraw/zinc/84/02/65/1073840265.db2.gz LHFOTKYVBRSMGA-AUUYWEPGSA-N 0 3 439.586 -0.195 20 0 IBADHN CNC(=O)[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2C[C@]2(N(C)C)CCSC2)CCO1 ZINC001299128213 1073840142 /nfs/dbraw/zinc/84/01/42/1073840142.db2.gz LHFOTKYVBRSMGA-IFXJQAMLSA-N 0 3 439.586 -0.195 20 0 IBADHN CNC(=O)[C@H]1CN(c2nnc(C(=O)NC(C)C)n2C[C@@]2(N(C)C)CCSC2)CCO1 ZINC001299128215 1073840297 /nfs/dbraw/zinc/84/02/97/1073840297.db2.gz LHFOTKYVBRSMGA-KUHUBIRLSA-N 0 3 439.586 -0.195 20 0 IBADHN CNC(=O)[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2C[C@@]2(N(C)C)CCSC2)CCO1 ZINC001299128217 1073840020 /nfs/dbraw/zinc/84/00/20/1073840020.db2.gz LHFOTKYVBRSMGA-LIRRHRJNSA-N 0 3 439.586 -0.195 20 0 IBADHN CNC(=O)CCN(C)c1nnc(CN2CCCC2=O)n1CCN1CCN(C)C(C)(C)C1 ZINC001299224293 1072761910 /nfs/dbraw/zinc/76/19/10/1072761910.db2.gz KPTFORXOGXNEQG-UHFFFAOYSA-N 0 3 434.589 -0.001 20 0 IBADHN CNC(=O)N1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@H]2CCCN2CCCO)CC1 ZINC001299271058 1073153477 /nfs/dbraw/zinc/15/34/77/1073153477.db2.gz ZNRILASMKHIJTG-INIZCTEOSA-N 0 3 436.561 -0.276 20 0 IBADHN CNC(=O)N1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCCN2CCCO)CC1 ZINC001299271060 1073153779 /nfs/dbraw/zinc/15/37/79/1073153779.db2.gz ZNRILASMKHIJTG-MRXNPFEDSA-N 0 3 436.561 -0.276 20 0 IBADHN CNS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CCN(C2CCOCC2)CC1 ZINC001299323184 1074115593 /nfs/dbraw/zinc/11/55/93/1074115593.db2.gz LDZUXYIWOZHNHF-MRXNPFEDSA-N 0 3 428.559 -0.020 20 0 IBADHN CNS(=O)(=O)CCn1c(N2CCN(C(=O)CN3CCCC3)CC2)nnc1C(C)(C)C ZINC001299323338 1074116097 /nfs/dbraw/zinc/11/60/97/1074116097.db2.gz NMHLCHYVYLAZJL-UHFFFAOYSA-N 0 3 441.602 -0.131 20 0 IBADHN COCCN1CCC[C@H](NC(=O)CNS(=O)(=O)c2cccc(S(C)(=O)=O)c2)C1 ZINC001299736810 1073660366 /nfs/dbraw/zinc/66/03/66/1073660366.db2.gz UKOQRCDTHYMHRI-AWEZNQCLSA-N 0 3 433.552 -0.405 20 0 IBADHN COCCN1CCC[C@@H](NC(=O)CNS(=O)(=O)c2cccc(S(C)(=O)=O)c2)C1 ZINC001299736813 1073660152 /nfs/dbraw/zinc/66/01/52/1073660152.db2.gz UKOQRCDTHYMHRI-CQSZACIVSA-N 0 3 433.552 -0.405 20 0 IBADHN CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)N2CN(CCN(C)C)C(=O)[C@H]2C)s1 ZINC001299829363 1073846865 /nfs/dbraw/zinc/84/68/65/1073846865.db2.gz ASPSKOYAQGXCGW-GFCCVEGCSA-N 0 3 445.567 -0.759 20 0 IBADHN CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)N2CN(CCN(C)C)C(=O)[C@@H]2C)s1 ZINC001299829364 1073846776 /nfs/dbraw/zinc/84/67/76/1073846776.db2.gz ASPSKOYAQGXCGW-LBPRGKRZSA-N 0 3 445.567 -0.759 20 0 IBADHN CN(C)CCN1CCN(C(=O)[C@H](CCC(N)=O)N2C(=O)c3ccccc3C2=O)CC1=O ZINC001300244665 1074338347 /nfs/dbraw/zinc/33/83/47/1074338347.db2.gz KFXWNSYVGFAZRG-INIZCTEOSA-N 0 3 429.477 -0.851 20 0 IBADHN CN(C)CCN1CCN(C(=O)[C@@H](CCC(N)=O)N2C(=O)c3ccccc3C2=O)CC1=O ZINC001300244666 1074338405 /nfs/dbraw/zinc/33/84/05/1074338405.db2.gz KFXWNSYVGFAZRG-MRXNPFEDSA-N 0 3 429.477 -0.851 20 0 IBADHN CCOc1ccc(S(=O)(=O)NCCC(=O)N2CCN(CCN(C)C)C(=O)C2)cc1 ZINC001300244695 1074338458 /nfs/dbraw/zinc/33/84/58/1074338458.db2.gz LCTUZNLQBGFIIJ-UHFFFAOYSA-N 0 3 426.539 -0.014 20 0 IBADHN CN(C)CCN1CCN(C(=O)c2cc(S(N)(=O)=O)ccc2Br)CC1=O ZINC001300245012 1074338490 /nfs/dbraw/zinc/33/84/90/1074338490.db2.gz ULHHXWIGWQHWIX-UHFFFAOYSA-N 0 3 433.328 -0.058 20 0 IBADHN CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(=O)N1CCN(CCN(C)C)C(=O)C1 ZINC001300245270 1074338518 /nfs/dbraw/zinc/33/85/18/1074338518.db2.gz YUVWOOQXYZEICH-KRWDZBQOSA-N 0 3 427.546 -0.116 20 0 IBADHN CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)N(CCN(C)C)CC(=O)N(C)C)cc1 ZINC001300585466 1074344623 /nfs/dbraw/zinc/34/46/23/1074344623.db2.gz RCNHMQKYLASSSB-UHFFFAOYSA-N 0 3 427.527 -0.598 20 0 IBADHN COCC(=O)N1CCN(c2nnc(CN3CCCC3=O)n2CCN2CC=CCC2)CC1 ZINC001300893612 1073850600 /nfs/dbraw/zinc/85/06/00/1073850600.db2.gz ITZTZZVCVHJXGP-UHFFFAOYSA-N 0 3 431.541 -0.043 20 0 IBADHN CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)N(C)CCN(C)CCO)cc2)CC1 ZINC001301544561 1073866537 /nfs/dbraw/zinc/86/65/37/1073866537.db2.gz BPECMCJSCJRNKR-UHFFFAOYSA-N 0 3 426.539 -0.465 20 0 IBADHN CC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)N(C)CCN(C)CCO)ccc2F)CC1 ZINC001301546273 1073866244 /nfs/dbraw/zinc/86/62/44/1073866244.db2.gz KYBQETWQNVRCOW-UHFFFAOYSA-N 0 3 444.529 -0.325 20 0 IBADHN COCCN(C)CCn1c(C)nnc1N1CCN(S(=O)(=O)Cc2ccon2)CC1 ZINC001301722055 1073872937 /nfs/dbraw/zinc/87/29/37/1073872937.db2.gz NCSJFKJFOFACTN-UHFFFAOYSA-N 0 3 427.531 -0.195 20 0 IBADHN COCCN(C)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(C)=O)CC1 ZINC001301722424 1073872750 /nfs/dbraw/zinc/87/27/50/1073872750.db2.gz PRXJQGBJWIGEJN-AWEZNQCLSA-N 0 3 431.563 -0.865 20 0 IBADHN COCCN(C)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(C)=O)CC1 ZINC001301722425 1073872908 /nfs/dbraw/zinc/87/29/08/1073872908.db2.gz PRXJQGBJWIGEJN-CQSZACIVSA-N 0 3 431.563 -0.865 20 0 IBADHN COCCN(C)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCNC(=O)C1 ZINC001301732900 1073873539 /nfs/dbraw/zinc/87/35/39/1073873539.db2.gz WWNQOIDKDBKJIB-UHFFFAOYSA-N 0 3 443.556 -0.034 20 0 IBADHN COCCN(C)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](OC)C1 ZINC001301733558 1073873603 /nfs/dbraw/zinc/87/36/03/1073873603.db2.gz GZCCIYFIGMJYCU-HOTGVXAUSA-N 0 3 446.574 -0.586 20 0 IBADHN COCCN(C)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](OC)C1 ZINC001301733567 1073873560 /nfs/dbraw/zinc/87/35/60/1073873560.db2.gz GZCCIYFIGMJYCU-JKSUJKDBSA-N 0 3 446.574 -0.586 20 0 IBADHN COCCN(C)CCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC001301733998 1073873361 /nfs/dbraw/zinc/87/33/61/1073873361.db2.gz KQQGWOXBFMZANH-INIZCTEOSA-N 0 3 449.556 -0.713 20 0 IBADHN COCCN(C)CCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)C(=O)NC2CC2)CC1 ZINC001301734001 1073873698 /nfs/dbraw/zinc/87/36/98/1073873698.db2.gz KQQGWOXBFMZANH-MRXNPFEDSA-N 0 3 449.556 -0.713 20 0 IBADHN COCCN(C)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(C)(OC)C1 ZINC001301735317 1073874148 /nfs/dbraw/zinc/87/41/48/1073874148.db2.gz YFZVSHDSJZSMEE-HNNXBMFYSA-N 0 3 446.574 -0.586 20 0 IBADHN COCCN(C)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC(C)(OC)C1 ZINC001301735319 1073874335 /nfs/dbraw/zinc/87/43/35/1073874335.db2.gz YFZVSHDSJZSMEE-OAHLLOKOSA-N 0 3 446.574 -0.586 20 0 IBADHN COCCN(C)CCn1c(Cn2nc(C)cc2C)nnc1N1CCN2C(=O)NC[C@H]2C1 ZINC001301736054 1073873943 /nfs/dbraw/zinc/87/39/43/1073873943.db2.gz HLXCNTWAGFGIGP-KRWDZBQOSA-N 0 3 431.545 -0.068 20 0 IBADHN COCCN(C)CCn1c(Cn2nc(C)cc2C)nnc1N1CCN2C(=O)NC[C@@H]2C1 ZINC001301736061 1073874037 /nfs/dbraw/zinc/87/40/37/1073874037.db2.gz HLXCNTWAGFGIGP-QGZVFWFLSA-N 0 3 431.545 -0.068 20 0 IBADHN COCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001301835729 1073877801 /nfs/dbraw/zinc/87/78/01/1073877801.db2.gz ZOGQRAUOPUPADZ-INIZCTEOSA-N 0 3 440.570 -0.429 20 0 IBADHN COCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001301835734 1073877752 /nfs/dbraw/zinc/87/77/52/1073877752.db2.gz ZOGQRAUOPUPADZ-MRXNPFEDSA-N 0 3 440.570 -0.429 20 0 IBADHN COCCN1C[C@H](Cn2c(C)nnc2N2CCN(C(=O)[C@@H]3CCCN3C)CC2)CC1=O ZINC001301859602 1073879178 /nfs/dbraw/zinc/87/91/78/1073879178.db2.gz DPBBJIYVWKRMPH-MSOLQXFVSA-N 0 3 433.557 -0.176 20 0 IBADHN COCCN1C[C@H](Cn2c(C)nnc2N2CCN(C(=O)[C@H]3CCCN3C)CC2)CC1=O ZINC001301859603 1073879339 /nfs/dbraw/zinc/87/93/39/1073879339.db2.gz DPBBJIYVWKRMPH-QZTJIDSGSA-N 0 3 433.557 -0.176 20 0 IBADHN COCCN1C[C@@H](Cn2c(C)nnc2N2CCN(C(=O)[C@@H]3CCCN3C)CC2)CC1=O ZINC001301859604 1073879269 /nfs/dbraw/zinc/87/92/69/1073879269.db2.gz DPBBJIYVWKRMPH-ROUUACIJSA-N 0 3 433.557 -0.176 20 0 IBADHN COCCN1C[C@@H](Cn2c(C)nnc2N2CCN(C(=O)[C@H]3CCCN3C)CC2)CC1=O ZINC001301859605 1073879088 /nfs/dbraw/zinc/87/90/88/1073879088.db2.gz DPBBJIYVWKRMPH-ZWKOTPCHSA-N 0 3 433.557 -0.176 20 0 IBADHN CC(=O)NCCCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001301923841 1073886021 /nfs/dbraw/zinc/88/60/21/1073886021.db2.gz CVTLCKUFVNBQLY-UHFFFAOYSA-N 0 3 443.556 -0.051 20 0 IBADHN CC(C)(C)N1CCN(c2nnc(C(=O)N3CCCC3)n2CCNS(C)(=O)=O)CC1 ZINC001302202052 1073895366 /nfs/dbraw/zinc/89/53/66/1073895366.db2.gz BSTXSGXRDJPWAR-UHFFFAOYSA-N 0 3 427.575 -0.016 20 0 IBADHN CON(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001302328640 1073899368 /nfs/dbraw/zinc/89/93/68/1073899368.db2.gz UQHSBSJDBXRJDI-KBPBESRZSA-N 0 3 431.563 -0.171 20 0 IBADHN CON(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001302328641 1073899681 /nfs/dbraw/zinc/89/96/81/1073899681.db2.gz UQHSBSJDBXRJDI-KGLIPLIRSA-N 0 3 431.563 -0.171 20 0 IBADHN CON(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001302328642 1073899548 /nfs/dbraw/zinc/89/95/48/1073899548.db2.gz UQHSBSJDBXRJDI-UONOGXRCSA-N 0 3 431.563 -0.171 20 0 IBADHN CON(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001302328643 1073899634 /nfs/dbraw/zinc/89/96/34/1073899634.db2.gz UQHSBSJDBXRJDI-ZIAGYGMSSA-N 0 3 431.563 -0.171 20 0 IBADHN CS(=O)(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001302466723 1073906476 /nfs/dbraw/zinc/90/64/76/1073906476.db2.gz RAQGSNVAIGJTIQ-INIZCTEOSA-N 0 3 440.570 -0.178 20 0 IBADHN CS(=O)(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001302466724 1073906597 /nfs/dbraw/zinc/90/65/97/1073906597.db2.gz RAQGSNVAIGJTIQ-MRXNPFEDSA-N 0 3 440.570 -0.178 20 0 IBADHN CS(=O)(=O)NCCn1c(Cc2ccccn2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001302501626 1073914460 /nfs/dbraw/zinc/91/44/60/1073914460.db2.gz XPKSBKXAKKWDLM-KRWDZBQOSA-N 0 3 449.581 -0.028 20 0 IBADHN CS(=O)(=O)NCCn1c(Cc2ccccn2)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001302501627 1073914532 /nfs/dbraw/zinc/91/45/32/1073914532.db2.gz XPKSBKXAKKWDLM-QGZVFWFLSA-N 0 3 449.581 -0.028 20 0 IBADHN CS(=O)(=O)NCCn1c([C@H]2CCCO2)nnc1N1CCN(C2CCOCC2)CC1 ZINC001302506038 1073914421 /nfs/dbraw/zinc/91/44/21/1073914421.db2.gz MPOPGNIEFVCAQF-MRXNPFEDSA-N 0 3 428.559 -0.020 20 0 IBADHN CS(=O)(=O)NCCn1c([C@H]2CCCO2)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001302506539 1073915043 /nfs/dbraw/zinc/91/50/43/1073915043.db2.gz QPIXGDWQFULZMH-HZPDHXFCSA-N 0 3 428.559 -0.163 20 0 IBADHN CS(=O)(=O)NCCn1c([C@H]2CCCO2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001302506540 1073915089 /nfs/dbraw/zinc/91/50/89/1073915089.db2.gz QPIXGDWQFULZMH-JKSUJKDBSA-N 0 3 428.559 -0.163 20 0 IBADHN CN1CCN(C2CCN(C(=O)c3ccc(S(=O)(=O)N4CCNC(=O)C4)cc3)CC2)CC1 ZINC001302598231 1073916256 /nfs/dbraw/zinc/91/62/56/1073916256.db2.gz WREROFZNBYFCFW-UHFFFAOYSA-N 0 3 449.577 -0.341 20 0 IBADHN CC(C)CN1CCN(c2nnc(C(=O)N3CCCC3)n2CCNS(C)(=O)=O)CC1 ZINC001303178946 1073929196 /nfs/dbraw/zinc/92/91/96/1073929196.db2.gz ZDFOBJFKXWDPIR-UHFFFAOYSA-N 0 3 427.575 -0.159 20 0 IBADHN CC(C)CN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2CCC(=O)N2)CC1 ZINC001303183704 1073929141 /nfs/dbraw/zinc/92/91/41/1073929141.db2.gz TVOGSEBPYXHVAO-HUUCEWRRSA-N 0 3 427.575 -0.055 20 0 IBADHN CC(C)CN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCC(=O)N2)CC1 ZINC001303183710 1073929217 /nfs/dbraw/zinc/92/92/17/1073929217.db2.gz TVOGSEBPYXHVAO-LSDHHAIUSA-N 0 3 427.575 -0.055 20 0 IBADHN CC(C)NC(=O)c1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1Cc1cnnn1C ZINC001303399734 1073936813 /nfs/dbraw/zinc/93/68/13/1073936813.db2.gz AVNDZZQPZMXIRA-INIZCTEOSA-N 0 3 444.544 -0.664 20 0 IBADHN CC(C)NC(=O)c1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1Cc1cnnn1C ZINC001303399736 1073936853 /nfs/dbraw/zinc/93/68/53/1073936853.db2.gz AVNDZZQPZMXIRA-MRXNPFEDSA-N 0 3 444.544 -0.664 20 0 IBADHN CC(C)NC(=O)c1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1C[C@H]1CCC(=O)N1 ZINC001303400032 1073936877 /nfs/dbraw/zinc/93/68/77/1073936877.db2.gz JGCBLERWWYDTNB-CVEARBPZSA-N 0 3 446.556 -0.562 20 0 IBADHN CC(C)NC(=O)c1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1C[C@H]1CCC(=O)N1 ZINC001303400033 1073936787 /nfs/dbraw/zinc/93/67/87/1073936787.db2.gz JGCBLERWWYDTNB-HZPDHXFCSA-N 0 3 446.556 -0.562 20 0 IBADHN COc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)NCCN(C)CCO)c1OC ZINC001303625747 1073945807 /nfs/dbraw/zinc/94/58/07/1073945807.db2.gz DGITYSBWODOSOX-UHFFFAOYSA-N 0 3 431.511 -0.621 20 0 IBADHN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C[C@@H]3CCOC3)CC2)n1CC(C)(C)O ZINC001303864702 1073957789 /nfs/dbraw/zinc/95/77/89/1073957789.db2.gz GCGFYDMNWLMWHX-CABCVRRESA-N 0 3 430.575 -0.182 20 0 IBADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C[C@@H]3CCOC3)CC2)n1CC(C)(C)O ZINC001303864703 1073957783 /nfs/dbraw/zinc/95/77/83/1073957783.db2.gz GCGFYDMNWLMWHX-GJZGRUSLSA-N 0 3 430.575 -0.182 20 0 IBADHN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C[C@H]3CCOC3)CC2)n1CC(C)(C)O ZINC001303864704 1073957795 /nfs/dbraw/zinc/95/77/95/1073957795.db2.gz GCGFYDMNWLMWHX-HUUCEWRRSA-N 0 3 430.575 -0.182 20 0 IBADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C[C@H]3CCOC3)CC2)n1CC(C)(C)O ZINC001303864705 1073957733 /nfs/dbraw/zinc/95/77/33/1073957733.db2.gz GCGFYDMNWLMWHX-LSDHHAIUSA-N 0 3 430.575 -0.182 20 0 IBADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CCS(=O)(=O)CC2)n1CCN(C)C1CCCC1 ZINC001303873100 1073961817 /nfs/dbraw/zinc/96/18/17/1073961817.db2.gz UKIDGKGCAVBMGF-AWEZNQCLSA-N 0 3 448.615 -0.003 20 0 IBADHN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCS(=O)(=O)CC2)n1CCN(C)C1CCCC1 ZINC001303873102 1073961750 /nfs/dbraw/zinc/96/17/50/1073961750.db2.gz UKIDGKGCAVBMGF-CQSZACIVSA-N 0 3 448.615 -0.003 20 0 IBADHN O=C(NC[C@@H]1CCN1C1CCOCC1)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 ZINC001304059493 1073966518 /nfs/dbraw/zinc/96/65/18/1073966518.db2.gz KRWGOIKOKXTQRD-KRWDZBQOSA-N 0 3 436.534 -0.210 20 0 IBADHN O=C(NC[C@H]1CCN1C1CCOCC1)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 ZINC001304059494 1073966413 /nfs/dbraw/zinc/96/64/13/1073966413.db2.gz KRWGOIKOKXTQRD-QGZVFWFLSA-N 0 3 436.534 -0.210 20 0 IBADHN CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)N3CC(N[C@H]4CCOC4)C3)c2)CC1 ZINC001304077630 1073966569 /nfs/dbraw/zinc/96/65/69/1073966569.db2.gz BCFVRMMHJGPFHV-KRWDZBQOSA-N 0 3 436.534 -0.258 20 0 IBADHN CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)N3CC(N[C@@H]4CCOC4)C3)c2)CC1 ZINC001304077631 1073966598 /nfs/dbraw/zinc/96/65/98/1073966598.db2.gz BCFVRMMHJGPFHV-QGZVFWFLSA-N 0 3 436.534 -0.258 20 0 IBADHN COc1ccc(C(=O)N2CC(N[C@H]3CCOC3)C2)cc1S(=O)(=O)N1CCOCC1 ZINC001304078597 1073966552 /nfs/dbraw/zinc/96/65/52/1073966552.db2.gz HUGHKNZMMXEVNH-HNNXBMFYSA-N 0 3 425.507 -0.081 20 0 IBADHN COc1ccc(C(=O)N2CC(N[C@@H]3CCOC3)C2)cc1S(=O)(=O)N1CCOCC1 ZINC001304078624 1073966576 /nfs/dbraw/zinc/96/65/76/1073966576.db2.gz HUGHKNZMMXEVNH-OAHLLOKOSA-N 0 3 425.507 -0.081 20 0 IBADHN O=C(c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC001304660226 1073971978 /nfs/dbraw/zinc/97/19/78/1073971978.db2.gz JRZGWHMPTNHQMV-MSOLQXFVSA-N 0 3 436.534 -0.522 20 0 IBADHN O=C(c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC001304660229 1073971928 /nfs/dbraw/zinc/97/19/28/1073971928.db2.gz JRZGWHMPTNHQMV-QZTJIDSGSA-N 0 3 436.534 -0.522 20 0 IBADHN O=C(c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)N1CC[C@H]2[C@@H]1CCCN2CCO ZINC001304660230 1073972036 /nfs/dbraw/zinc/97/20/36/1073972036.db2.gz JRZGWHMPTNHQMV-ROUUACIJSA-N 0 3 436.534 -0.522 20 0 IBADHN O=C(c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)N1CC[C@H]2[C@H]1CCCN2CCO ZINC001304660231 1073972084 /nfs/dbraw/zinc/97/20/84/1073972084.db2.gz JRZGWHMPTNHQMV-ZWKOTPCHSA-N 0 3 436.534 -0.522 20 0 IBADHN NC(=O)CC[C@H](C(=O)N1CC[C@@H]2[C@@H]1CCCN2CCO)N1C(=O)c2ccccc2C1=O ZINC001304660815 1073971888 /nfs/dbraw/zinc/97/18/88/1073971888.db2.gz LKCSVITWYFYNNU-FGTMMUONSA-N 0 3 428.489 -0.026 20 0 IBADHN NC(=O)CC[C@H](C(=O)N1CC[C@@H]2[C@H]1CCCN2CCO)N1C(=O)c2ccccc2C1=O ZINC001304660827 1073972101 /nfs/dbraw/zinc/97/21/01/1073972101.db2.gz LKCSVITWYFYNNU-KZNAEPCWSA-N 0 3 428.489 -0.026 20 0 IBADHN NC(=O)CC[C@H](C(=O)N1CC[C@H]2[C@@H]1CCCN2CCO)N1C(=O)c2ccccc2C1=O ZINC001304660832 1073972056 /nfs/dbraw/zinc/97/20/56/1073972056.db2.gz LKCSVITWYFYNNU-OKZBNKHCSA-N 0 3 428.489 -0.026 20 0 IBADHN NC(=O)CC[C@H](C(=O)N1CC[C@H]2[C@H]1CCCN2CCO)N1C(=O)c2ccccc2C1=O ZINC001304660835 1073971820 /nfs/dbraw/zinc/97/18/20/1073971820.db2.gz LKCSVITWYFYNNU-RCCFBDPRSA-N 0 3 428.489 -0.026 20 0 IBADHN Cc1nnc(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)CCN2CCOCC2)[nH]1 ZINC001304677513 1073972500 /nfs/dbraw/zinc/97/25/00/1073972500.db2.gz IVHRBTVIUUPVRJ-CYBMUJFWSA-N 0 3 441.562 -0.674 20 0 IBADHN Cc1nnc(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)CCN2CCOCC2)[nH]1 ZINC001304677514 1073972662 /nfs/dbraw/zinc/97/26/62/1073972662.db2.gz IVHRBTVIUUPVRJ-ZDUSSCGKSA-N 0 3 441.562 -0.674 20 0 IBADHN Cc1nnc(N2CCN(C(=O)C(=O)NC3CC3)CC2)n1CCN1CCN(C)C(C)(C)C1 ZINC001304848967 1073975785 /nfs/dbraw/zinc/97/57/85/1073975785.db2.gz ZOXKMTYWUGGBOG-UHFFFAOYSA-N 0 3 432.573 -0.460 20 0 IBADHN Cc1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001304849607 1073975830 /nfs/dbraw/zinc/97/58/30/1073975830.db2.gz FASNXOUGXBHRGK-KRWDZBQOSA-N 0 3 439.586 -0.388 20 0 IBADHN Cc1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001304849608 1073975857 /nfs/dbraw/zinc/97/58/57/1073975857.db2.gz FASNXOUGXBHRGK-QGZVFWFLSA-N 0 3 439.586 -0.388 20 0 IBADHN Cc1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1CC1(O)CCS(=O)(=O)CC1 ZINC001304849978 1073976328 /nfs/dbraw/zinc/97/63/28/1073976328.db2.gz LWLZXNHTZVKJOL-UHFFFAOYSA-N 0 3 440.570 -0.729 20 0 IBADHN CCc1nnc(N2CC[C@H](N3CCN(C(C)C)CC3)C2)n1C[C@]1(O)CCS(=O)(=O)C1 ZINC001306141285 1073991744 /nfs/dbraw/zinc/99/17/44/1073991744.db2.gz DIIBUCOOHCXWJC-FXAWDEMLSA-N 0 3 440.614 -0.005 20 0 IBADHN CCc1nnc(N2CC[C@H](N3CCN(C(C)C)CC3)C2)n1C[C@@]1(O)CCS(=O)(=O)C1 ZINC001306141286 1073991750 /nfs/dbraw/zinc/99/17/50/1073991750.db2.gz DIIBUCOOHCXWJC-PXNSSMCTSA-N 0 3 440.614 -0.005 20 0 IBADHN CCc1nnc(N2CC[C@@H](N3CCN(C(C)C)CC3)C2)n1C[C@@]1(O)CCS(=O)(=O)C1 ZINC001306141287 1073991707 /nfs/dbraw/zinc/99/17/07/1073991707.db2.gz DIIBUCOOHCXWJC-XLIONFOSSA-N 0 3 440.614 -0.005 20 0 IBADHN CCc1nnc(N2CC[C@@H](N3CCN(C(C)C)CC3)C2)n1C[C@]1(O)CCS(=O)(=O)C1 ZINC001306141288 1073991738 /nfs/dbraw/zinc/99/17/38/1073991738.db2.gz DIIBUCOOHCXWJC-YLJYHZDGSA-N 0 3 440.614 -0.005 20 0 IBADHN CCc1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1CCC(=O)N1CCOCC1 ZINC001306185272 1073992270 /nfs/dbraw/zinc/99/22/70/1073992270.db2.gz LKNYDFDKRFFXRK-KRWDZBQOSA-N 0 3 433.557 -0.168 20 0 IBADHN CCc1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1CCC(=O)N1CCOCC1 ZINC001306185273 1073992321 /nfs/dbraw/zinc/99/23/21/1073992321.db2.gz LKNYDFDKRFFXRK-QGZVFWFLSA-N 0 3 433.557 -0.168 20 0 IBADHN CCc1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1CCCNS(C)(=O)=O ZINC001306185796 1073992653 /nfs/dbraw/zinc/99/26/53/1073992653.db2.gz NQIYFEHCKDGZFU-UHFFFAOYSA-N 0 3 427.575 -0.476 20 0 IBADHN CCc1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1CCOCCS(C)(=O)=O ZINC001306185834 1073992773 /nfs/dbraw/zinc/99/27/73/1073992773.db2.gz OLWFDNZXMXBBIZ-UHFFFAOYSA-N 0 3 442.586 -0.354 20 0 IBADHN CCc1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1CC1(C(N)=O)CCOCC1 ZINC001306186406 1073992695 /nfs/dbraw/zinc/99/26/95/1073992695.db2.gz VDBUPOGWDVIHMB-INIZCTEOSA-N 0 3 433.557 -0.135 20 0 IBADHN CCc1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1CC1(C(N)=O)CCOCC1 ZINC001306186407 1073992805 /nfs/dbraw/zinc/99/28/05/1073992805.db2.gz VDBUPOGWDVIHMB-MRXNPFEDSA-N 0 3 433.557 -0.135 20 0 IBADHN CCc1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1C[C@@]1(O)CCS(=O)(=O)C1 ZINC001306186491 1073992737 /nfs/dbraw/zinc/99/27/37/1073992737.db2.gz TUYLZVFEJLZSFI-IBGZPJMESA-N 0 3 440.570 -0.866 20 0 IBADHN CCc1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1C[C@]1(O)CCS(=O)(=O)C1 ZINC001306186496 1073992788 /nfs/dbraw/zinc/99/27/88/1073992788.db2.gz TUYLZVFEJLZSFI-LJQANCHMSA-N 0 3 440.570 -0.866 20 0 IBADHN CCc1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1CCN1CCCS1(=O)=O ZINC001306186599 1073992666 /nfs/dbraw/zinc/99/26/66/1073992666.db2.gz VQNHRIRJQLEMPL-UHFFFAOYSA-N 0 3 439.586 -0.380 20 0 IBADHN CCc1nnc(N2CCN(S(C)(=O)=O)CC2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001306211544 1073993767 /nfs/dbraw/zinc/99/37/67/1073993767.db2.gz IEVLBGQJGBYFEG-INIZCTEOSA-N 0 3 441.602 -0.135 20 0 IBADHN CCc1nnc(N2CCN(S(C)(=O)=O)CC2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001306211545 1073993663 /nfs/dbraw/zinc/99/36/63/1073993663.db2.gz IEVLBGQJGBYFEG-MRXNPFEDSA-N 0 3 441.602 -0.135 20 0 IBADHN Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)N3CCN4C[C@H](O)C[C@H]4C3)CC2)cc1 ZINC001307884156 1074004579 /nfs/dbraw/zinc/00/45/79/1074004579.db2.gz AHJQLPCCRBJQPD-CEXWTWQISA-N 0 3 436.578 -0.033 20 0 IBADHN Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)N3CCN4C[C@H](O)C[C@H]4C3)CC2)cc1 ZINC001307884157 1074004467 /nfs/dbraw/zinc/00/44/67/1074004467.db2.gz AHJQLPCCRBJQPD-GBESFXJTSA-N 0 3 436.578 -0.033 20 0 IBADHN O=C(CN1CCN2C[C@H](O)C[C@H]2C1)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 ZINC001307886520 1074004501 /nfs/dbraw/zinc/00/45/01/1074004501.db2.gz VMBADWJWKJJJPF-LSDHHAIUSA-N 0 3 444.504 -0.452 20 0 IBADHN CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)CN2CCN(CCN(C)C)C(=O)C2)C1=O ZINC001307898650 1074004339 /nfs/dbraw/zinc/00/43/39/1074004339.db2.gz ZTBOVNXNZOEJAY-NRFANRHFSA-N 0 3 430.509 -0.419 20 0 IBADHN CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)CN2CCN(CCN(C)C)C(=O)C2)C1=O ZINC001307898651 1074004426 /nfs/dbraw/zinc/00/44/26/1074004426.db2.gz ZTBOVNXNZOEJAY-OAQYLSRUSA-N 0 3 430.509 -0.419 20 0 IBADHN C[C@]12CN(CC(=O)N3CCN(S(=O)(=O)c4ccccc4)CC3)C[C@@]1(C)C(=O)NC2=O ZINC001307993496 1074005577 /nfs/dbraw/zinc/00/55/77/1074005577.db2.gz GWMRGKKCTYLIKS-BGYRXZFFSA-N 0 3 434.518 -0.496 20 0 IBADHN C[C@@]12CN(CC(=O)N3CCN(S(=O)(=O)c4ccccc4)CC3)C[C@@]1(C)C(=O)NC2=O ZINC001307993497 1074005400 /nfs/dbraw/zinc/00/54/00/1074005400.db2.gz GWMRGKKCTYLIKS-PMACEKPBSA-N 0 3 434.518 -0.496 20 0 IBADHN C[C@]12CN(CC(=O)N3CCN(S(=O)(=O)c4ccccc4)CC3)C[C@]1(C)C(=O)NC2=O ZINC001307993498 1074005436 /nfs/dbraw/zinc/00/54/36/1074005436.db2.gz GWMRGKKCTYLIKS-WOJBJXKFSA-N 0 3 434.518 -0.496 20 0 IBADHN Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)N3C[C@H](CO)[C@H](CO)C3)CC2)cc1 ZINC001308020970 1074006088 /nfs/dbraw/zinc/00/60/88/1074006088.db2.gz BXLCMPAJRXUYQX-KURKYZTESA-N 0 3 425.551 -0.251 20 0 IBADHN Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)N3C[C@H](CO)[C@H](CO)C3)CC2)cc1 ZINC001308020974 1074006061 /nfs/dbraw/zinc/00/60/61/1074006061.db2.gz BXLCMPAJRXUYQX-OKZBNKHCSA-N 0 3 425.551 -0.251 20 0 IBADHN CN(CCN1CCN(S(=O)(=O)CC2CN(S(C)(=O)=O)C2)CC1)Cc1ccccc1 ZINC001309163483 1074012012 /nfs/dbraw/zinc/01/20/12/1074012012.db2.gz LYCBFOGDVMBBCM-UHFFFAOYSA-N 0 3 444.623 -0.043 20 0 IBADHN Cc1nc(S(=O)(=O)N2CCN(S(=O)(=O)C[C@@]34CCN(C3)CCC4)CC2)cn1C ZINC001309291053 1074012672 /nfs/dbraw/zinc/01/26/72/1074012672.db2.gz SGSBTOGHASOTRZ-KRWDZBQOSA-N 0 3 431.584 -0.149 20 0 IBADHN CN1CCN(CC2(C)CCN(S(=O)(=O)C[C@H]3CCN(S(C)(=O)=O)C3)CC2)CC1 ZINC001309388184 1074013843 /nfs/dbraw/zinc/01/38/43/1074013843.db2.gz UJTMQACUZKWYKV-KRWDZBQOSA-N 0 3 436.644 -0.053 20 0 IBADHN CN1CCN(CC2(C)CCN(S(=O)(=O)C[C@@H]3CCN(S(C)(=O)=O)C3)CC2)CC1 ZINC001309388185 1074014044 /nfs/dbraw/zinc/01/40/44/1074014044.db2.gz UJTMQACUZKWYKV-QGZVFWFLSA-N 0 3 436.644 -0.053 20 0 IBADHN CN(C)CCN1CCN(S(=O)(=O)c2ccc(N3CCCS3(=O)=O)cc2)CC1=O ZINC001309644674 1074017083 /nfs/dbraw/zinc/01/70/83/1074017083.db2.gz OWQRCCCHGQKLRM-UHFFFAOYSA-N 0 3 430.552 -0.379 20 0 IBADHN COCCN(C)CCN1C[C@H](NS(=O)(=O)c2cc3oc(=O)[nH]c3cc2F)CC1=O ZINC001309771737 1074019144 /nfs/dbraw/zinc/01/91/44/1074019144.db2.gz FRGIYXMOGPRZFO-LLVKDONJSA-N 0 3 430.458 -0.282 20 0 IBADHN COCCN(C)CCN1C[C@@H](NS(=O)(=O)c2cc3oc(=O)[nH]c3cc2F)CC1=O ZINC001309771738 1074019204 /nfs/dbraw/zinc/01/92/04/1074019204.db2.gz FRGIYXMOGPRZFO-NSHDSACASA-N 0 3 430.458 -0.282 20 0 IBADHN COCCN(C)CCN1C[C@@H](NS(=O)(=O)c2ccc(S(C)(=O)=O)cc2)CC1=O ZINC001309773696 1074019432 /nfs/dbraw/zinc/01/94/32/1074019432.db2.gz ZUPRDQPXTYVWOH-AWEZNQCLSA-N 0 3 433.552 -0.453 20 0 IBADHN COCCN(C)CCN1C[C@H](NS(=O)(=O)c2ccc(S(C)(=O)=O)cc2)CC1=O ZINC001309773697 1074019251 /nfs/dbraw/zinc/01/92/51/1074019251.db2.gz ZUPRDQPXTYVWOH-CQSZACIVSA-N 0 3 433.552 -0.453 20 0 IBADHN C[C@H]1CN(C(=O)Cn2cc(NC(=O)N3CCN(CCN(C)C)C(=O)C3)cn2)C[C@H](C)O1 ZINC001310387009 1074025442 /nfs/dbraw/zinc/02/54/42/1074025442.db2.gz XXMCUYJQHCNAOQ-HOTGVXAUSA-N 0 3 435.529 -0.243 20 0 IBADHN C[C@@H]1CN(C(=O)Cn2cc(NC(=O)N3CCN(CCN(C)C)C(=O)C3)cn2)C[C@@H](C)O1 ZINC001310387010 1074025425 /nfs/dbraw/zinc/02/54/25/1074025425.db2.gz XXMCUYJQHCNAOQ-HZPDHXFCSA-N 0 3 435.529 -0.243 20 0 IBADHN C[C@@H]1CN(C(=O)Cn2cc(NC(=O)N3CCN(CCN(C)C)C(=O)C3)cn2)C[C@H](C)O1 ZINC001310387011 1074025631 /nfs/dbraw/zinc/02/56/31/1074025631.db2.gz XXMCUYJQHCNAOQ-IYBDPMFKSA-N 0 3 435.529 -0.243 20 0 IBADHN CN(C)CCN1CCN(C(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1=O ZINC001310616578 1074025913 /nfs/dbraw/zinc/02/59/13/1074025913.db2.gz FXRJCZPINYQLKD-UHFFFAOYSA-N 0 3 440.526 -0.660 20 0 IBADHN CCN1CCN(Cc2ccc(CNC(=O)N3CCN4[C@@H](CNS4(=O)=O)C3)cc2)CC1 ZINC001311357857 1074027091 /nfs/dbraw/zinc/02/70/91/1074027091.db2.gz NBZUAQZZVJBWDG-IBGZPJMESA-N 0 3 436.582 -0.132 20 0 IBADHN CCN1CCN(Cc2ccc(CNC(=O)N3CCN4[C@H](CNS4(=O)=O)C3)cc2)CC1 ZINC001311357858 1074027126 /nfs/dbraw/zinc/02/71/26/1074027126.db2.gz NBZUAQZZVJBWDG-LJQANCHMSA-N 0 3 436.582 -0.132 20 0 IBADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 ZINC001311845793 1074030615 /nfs/dbraw/zinc/03/06/15/1074030615.db2.gz FHOOTOJCFYURLH-INIZCTEOSA-N 0 3 432.529 -0.723 20 0 IBADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 ZINC001311845794 1074030681 /nfs/dbraw/zinc/03/06/81/1074030681.db2.gz FHOOTOJCFYURLH-MRXNPFEDSA-N 0 3 432.529 -0.723 20 0 IBADHN CN(C)CCN1CCN(C(=O)NCc2ccccc2S(=O)(=O)N(C)CCO)CC1=O ZINC001311911544 1074031961 /nfs/dbraw/zinc/03/19/61/1074031961.db2.gz ZSLXACYRPLTEQE-UHFFFAOYSA-N 0 3 441.554 -0.785 20 0 IBADHN CCN1CCN(C[C@@H](C)CNC(=O)N2CCN([C@]3(C(=O)OC)CCOC3)CC2)CC1 ZINC001311976959 1074032558 /nfs/dbraw/zinc/03/25/58/1074032558.db2.gz RTGXMCJOCDJAOV-GHTZIAJQSA-N 0 3 425.574 -0.081 20 0 IBADHN CCN1CCN(C[C@H](C)CNC(=O)N2CCN([C@@]3(C(=O)OC)CCOC3)CC2)CC1 ZINC001311976960 1074032535 /nfs/dbraw/zinc/03/25/35/1074032535.db2.gz RTGXMCJOCDJAOV-NQIIRXRSSA-N 0 3 425.574 -0.081 20 0 IBADHN CCN1CCN(C[C@@H](C)CNC(=O)N2CCN([C@@]3(C(=O)OC)CCOC3)CC2)CC1 ZINC001311976961 1074032454 /nfs/dbraw/zinc/03/24/54/1074032454.db2.gz RTGXMCJOCDJAOV-RXVVDRJESA-N 0 3 425.574 -0.081 20 0 IBADHN CCN1CCN(C[C@H](C)CNC(=O)N2CCN([C@]3(C(=O)OC)CCOC3)CC2)CC1 ZINC001311976962 1074032311 /nfs/dbraw/zinc/03/23/11/1074032311.db2.gz RTGXMCJOCDJAOV-WIYYLYMNSA-N 0 3 425.574 -0.081 20 0 IBADHN COCCNS(=O)(=O)c1cccc(CNC(=O)N2CCN(CCN(C)C)C(=O)C2)c1 ZINC001312054819 1074032969 /nfs/dbraw/zinc/03/29/69/1074032969.db2.gz ANESZMBLNUCCTC-UHFFFAOYSA-N 0 3 441.554 -0.473 20 0 IBADHN CN(C)CCN(CC(=O)N(C)C)C(=O)NCCNS(=O)(=O)c1ccc(F)cc1F ZINC001312587894 1074036099 /nfs/dbraw/zinc/03/60/99/1074036099.db2.gz ZAFIUNZUXJPZPC-UHFFFAOYSA-N 0 3 435.497 -0.096 20 0 IBADHN COC(=O)C1CC2(C1)C[C@H](NC(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C)CCS2(=O)=O ZINC001313390417 1074043373 /nfs/dbraw/zinc/04/33/73/1074043373.db2.gz LHDOXKLUNHFENX-MLBPIDQTSA-N 0 3 444.554 -0.353 20 0 IBADHN COC(=O)C1CC2(C1)C[C@H](NC(=O)N1CN(CCN(C)C)C(=O)[C@H]1C)CCS2(=O)=O ZINC001313390419 1074043309 /nfs/dbraw/zinc/04/33/09/1074043309.db2.gz LHDOXKLUNHFENX-PPXVZNSRSA-N 0 3 444.554 -0.353 20 0 IBADHN COC(=O)C1CC2(C1)C[C@@H](NC(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C)CCS2(=O)=O ZINC001313390420 1074043264 /nfs/dbraw/zinc/04/32/64/1074043264.db2.gz LHDOXKLUNHFENX-RQMAVPSVSA-N 0 3 444.554 -0.353 20 0 IBADHN COC(=O)C1CC2(C1)C[C@@H](NC(=O)N1CN(CCN(C)C)C(=O)[C@H]1C)CCS2(=O)=O ZINC001313390421 1074043331 /nfs/dbraw/zinc/04/33/31/1074043331.db2.gz LHDOXKLUNHFENX-XNDRKVBMSA-N 0 3 444.554 -0.353 20 0 IBADHN CCN(CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C(=O)NC)C1)C(C)C ZINC001313813116 1074048955 /nfs/dbraw/zinc/04/89/55/1074048955.db2.gz BTBDURWRTFBFFV-CVEARBPZSA-N 0 3 442.586 -0.138 20 0 IBADHN CCN(CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@H](C(=O)NC)C1)C(C)C ZINC001313813211 1074049084 /nfs/dbraw/zinc/04/90/84/1074049084.db2.gz BTBDURWRTFBFFV-HOTGVXAUSA-N 0 3 442.586 -0.138 20 0 IBADHN CCN(CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C(=O)NC)C1)C(C)C ZINC001313813214 1074049169 /nfs/dbraw/zinc/04/91/69/1074049169.db2.gz BTBDURWRTFBFFV-HZPDHXFCSA-N 0 3 442.586 -0.138 20 0 IBADHN CCN(CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCO[C@@H](C(=O)NC)C1)C(C)C ZINC001313813216 1074049120 /nfs/dbraw/zinc/04/91/20/1074049120.db2.gz BTBDURWRTFBFFV-JKSUJKDBSA-N 0 3 442.586 -0.138 20 0 IBADHN CCN1C(=O)[C@@H]2CN(c3nnc([C@@H]4CCOC4)n3CCN(C)CCOC)CCN2C1=O ZINC001313831570 1074049818 /nfs/dbraw/zinc/04/98/18/1074049818.db2.gz YXQKNSUJZLTMJX-CVEARBPZSA-N 0 3 435.529 -0.167 20 0 IBADHN CCN1C(=O)[C@@H]2CN(c3nnc([C@H]4CCOC4)n3CCN(C)CCOC)CCN2C1=O ZINC001313831577 1074049781 /nfs/dbraw/zinc/04/97/81/1074049781.db2.gz YXQKNSUJZLTMJX-HOTGVXAUSA-N 0 3 435.529 -0.167 20 0 IBADHN CCN1C(=O)[C@H]2CN(c3nnc([C@@H]4CCOC4)n3CCN(C)CCOC)CCN2C1=O ZINC001313831580 1074049976 /nfs/dbraw/zinc/04/99/76/1074049976.db2.gz YXQKNSUJZLTMJX-HZPDHXFCSA-N 0 3 435.529 -0.167 20 0 IBADHN CCN1C(=O)[C@H]2CN(c3nnc([C@H]4CCOC4)n3CCN(C)CCOC)CCN2C1=O ZINC001313831583 1074049917 /nfs/dbraw/zinc/04/99/17/1074049917.db2.gz YXQKNSUJZLTMJX-JKSUJKDBSA-N 0 3 435.529 -0.167 20 0 IBADHN CCN1C(=O)[C@@H]2CN(c3nnc([C@H]4CCC(=O)N4)n3CCN(C)CCOC)CCN2C1=O ZINC001313831859 1074050327 /nfs/dbraw/zinc/05/03/27/1074050327.db2.gz BJIKLUIFIGJFPV-CABCVRRESA-N 0 3 448.528 -0.720 20 0 IBADHN CCN1C(=O)[C@@H]2CN(c3nnc([C@@H]4CCC(=O)N4)n3CCN(C)CCOC)CCN2C1=O ZINC001313831860 1074050197 /nfs/dbraw/zinc/05/01/97/1074050197.db2.gz BJIKLUIFIGJFPV-GJZGRUSLSA-N 0 3 448.528 -0.720 20 0 IBADHN CCN1C(=O)[C@H]2CN(c3nnc([C@H]4CCC(=O)N4)n3CCN(C)CCOC)CCN2C1=O ZINC001313831861 1074050171 /nfs/dbraw/zinc/05/01/71/1074050171.db2.gz BJIKLUIFIGJFPV-HUUCEWRRSA-N 0 3 448.528 -0.720 20 0 IBADHN CCN1C(=O)[C@H]2CN(c3nnc([C@@H]4CCC(=O)N4)n3CCN(C)CCOC)CCN2C1=O ZINC001313831862 1074050238 /nfs/dbraw/zinc/05/02/38/1074050238.db2.gz BJIKLUIFIGJFPV-LSDHHAIUSA-N 0 3 448.528 -0.720 20 0 IBADHN CCN1CCCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001313906374 1074052018 /nfs/dbraw/zinc/05/20/18/1074052018.db2.gz QPBJNDYBWIJMSN-CVEARBPZSA-N 0 3 446.556 -0.562 20 0 IBADHN CCN1CCCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001313906382 1074052124 /nfs/dbraw/zinc/05/21/24/1074052124.db2.gz QPBJNDYBWIJMSN-HOTGVXAUSA-N 0 3 446.556 -0.562 20 0 IBADHN CCN1CCCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001313906384 1074052083 /nfs/dbraw/zinc/05/20/83/1074052083.db2.gz QPBJNDYBWIJMSN-HZPDHXFCSA-N 0 3 446.556 -0.562 20 0 IBADHN CCN1CCCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001313906387 1074051999 /nfs/dbraw/zinc/05/19/99/1074051999.db2.gz QPBJNDYBWIJMSN-JKSUJKDBSA-N 0 3 446.556 -0.562 20 0 IBADHN CCN1CCN([C@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N2CCN(C)C(=O)[C@H]2C)CC1 ZINC001313926613 1074052547 /nfs/dbraw/zinc/05/25/47/1074052547.db2.gz FAFUCUPOWIHOJQ-BRWVUGGUSA-N 0 3 432.573 -0.078 20 0 IBADHN CCN1CCN([C@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCN(C)C(=O)[C@@H]2C)CC1 ZINC001313926614 1074052575 /nfs/dbraw/zinc/05/25/75/1074052575.db2.gz FAFUCUPOWIHOJQ-IKGGRYGDSA-N 0 3 432.573 -0.078 20 0 IBADHN CCN1CCN([C@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N2CCN(C)C(=O)[C@@H]2C)CC1 ZINC001313926615 1074052636 /nfs/dbraw/zinc/05/26/36/1074052636.db2.gz FAFUCUPOWIHOJQ-IXDOHACOSA-N 0 3 432.573 -0.078 20 0 IBADHN CCN1CCN([C@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCN(C)C(=O)[C@H]2C)CC1 ZINC001313926616 1074052702 /nfs/dbraw/zinc/05/27/02/1074052702.db2.gz FAFUCUPOWIHOJQ-ZACQAIPSSA-N 0 3 432.573 -0.078 20 0 IBADHN CCN1CCN([C@@H]2CCN(c3nnc([C@H]4CCOC4)n3CCS(=O)(=O)NC)C2)CC1 ZINC001313946204 1074053141 /nfs/dbraw/zinc/05/31/41/1074053141.db2.gz ACFRCEYFFARUNI-DLBZAZTESA-N 0 3 441.602 -0.453 20 0 IBADHN CCN1CCN([C@@H]2CCN(c3nnc([C@@H]4CCOC4)n3CCS(=O)(=O)NC)C2)CC1 ZINC001313946205 1074053179 /nfs/dbraw/zinc/05/31/79/1074053179.db2.gz ACFRCEYFFARUNI-IAGOWNOFSA-N 0 3 441.602 -0.453 20 0 IBADHN CCN1CCN([C@H]2CCN(c3nnc([C@H]4CCOC4)n3CCS(=O)(=O)NC)C2)CC1 ZINC001313946206 1074053349 /nfs/dbraw/zinc/05/33/49/1074053349.db2.gz ACFRCEYFFARUNI-IRXDYDNUSA-N 0 3 441.602 -0.453 20 0 IBADHN CCN1CCN([C@H]2CCN(c3nnc([C@@H]4CCOC4)n3CCS(=O)(=O)NC)C2)CC1 ZINC001313946207 1074053045 /nfs/dbraw/zinc/05/30/45/1074053045.db2.gz ACFRCEYFFARUNI-SJORKVTESA-N 0 3 441.602 -0.453 20 0 IBADHN CCN1CCN(C[C@@H](C)Cn2c(CN3CCCC3=O)nnc2N2CC[C@H](C(N)=O)C2)CC1 ZINC001313954772 1074053822 /nfs/dbraw/zinc/05/38/22/1074053822.db2.gz CKVRZXSFTQBZAU-MSOLQXFVSA-N 0 3 446.600 -0.014 20 0 IBADHN CCN1CCN(C[C@@H](C)Cn2c(CN3CCCC3=O)nnc2N2CC[C@@H](C(N)=O)C2)CC1 ZINC001313954783 1074053688 /nfs/dbraw/zinc/05/36/88/1074053688.db2.gz CKVRZXSFTQBZAU-QZTJIDSGSA-N 0 3 446.600 -0.014 20 0 IBADHN CCN1CCN(C[C@H](C)Cn2c(CN3CCCC3=O)nnc2N2CC[C@H](C(N)=O)C2)CC1 ZINC001313954785 1074053775 /nfs/dbraw/zinc/05/37/75/1074053775.db2.gz CKVRZXSFTQBZAU-ROUUACIJSA-N 0 3 446.600 -0.014 20 0 IBADHN CCN1CCN(C[C@H](C)Cn2c(CN3CCCC3=O)nnc2N2CC[C@@H](C(N)=O)C2)CC1 ZINC001313954787 1074053883 /nfs/dbraw/zinc/05/38/83/1074053883.db2.gz CKVRZXSFTQBZAU-ZWKOTPCHSA-N 0 3 446.600 -0.014 20 0 IBADHN CCN1CCN(CCCn2c([C@@H]3CCC(=O)N3)nnc2N2CCC(C(N)=O)CC2)CC1 ZINC001313956788 1074053764 /nfs/dbraw/zinc/05/37/64/1074053764.db2.gz LEKBONNAEPXLNX-KRWDZBQOSA-N 0 3 432.573 -0.042 20 0 IBADHN CCN1CCN(CCCn2c([C@H]3CCC(=O)N3)nnc2N2CCC(C(N)=O)CC2)CC1 ZINC001313956792 1074054046 /nfs/dbraw/zinc/05/40/46/1074054046.db2.gz LEKBONNAEPXLNX-QGZVFWFLSA-N 0 3 432.573 -0.042 20 0 IBADHN CCN1CCN(CCCn2c([C@H]3CCC(=O)N3)nnc2N2CCC[C@H](C(N)=O)C2)CC1 ZINC001313956950 1074054014 /nfs/dbraw/zinc/05/40/14/1074054014.db2.gz NTSQALQZWNWJDO-DLBZAZTESA-N 0 3 432.573 -0.042 20 0 IBADHN CCN1CCN(CCCn2c([C@H]3CCC(=O)N3)nnc2N2CCC[C@@H](C(N)=O)C2)CC1 ZINC001313956951 1074053852 /nfs/dbraw/zinc/05/38/52/1074053852.db2.gz NTSQALQZWNWJDO-IAGOWNOFSA-N 0 3 432.573 -0.042 20 0 IBADHN CCN1CCN(CCCn2c([C@@H]3CCC(=O)N3)nnc2N2CCC[C@H](C(N)=O)C2)CC1 ZINC001313956952 1074053965 /nfs/dbraw/zinc/05/39/65/1074053965.db2.gz NTSQALQZWNWJDO-IRXDYDNUSA-N 0 3 432.573 -0.042 20 0 IBADHN CCN1CCN(CCCn2c([C@@H]3CCC(=O)N3)nnc2N2CCC[C@@H](C(N)=O)C2)CC1 ZINC001313956953 1074053934 /nfs/dbraw/zinc/05/39/34/1074053934.db2.gz NTSQALQZWNWJDO-SJORKVTESA-N 0 3 432.573 -0.042 20 0 IBADHN CCN1CCN(CCCn2c(C(C)C)nnc2N2CCN3C(=O)C(=O)NC[C@H]3C2)CC1 ZINC001313960959 1074053745 /nfs/dbraw/zinc/05/37/45/1074053745.db2.gz QONLFVLWHYWGNW-KRWDZBQOSA-N 0 3 432.573 -0.424 20 0 IBADHN CCN1CCN(CCCn2c(C(C)C)nnc2N2CCN3C(=O)C(=O)NC[C@@H]3C2)CC1 ZINC001313960960 1074053668 /nfs/dbraw/zinc/05/36/68/1074053668.db2.gz QONLFVLWHYWGNW-QGZVFWFLSA-N 0 3 432.573 -0.424 20 0 IBADHN CCN1CCN(CCCn2c(CN3CCCC3=O)nnc2N2CC[C@H](C(N)=O)C2)CC1 ZINC001313961930 1074053752 /nfs/dbraw/zinc/05/37/52/1074053752.db2.gz ZMMPOMSJZPTNDW-KRWDZBQOSA-N 0 3 432.573 -0.260 20 0 IBADHN CCN1CCN(CCCn2c(CN3CCCC3=O)nnc2N2CC[C@@H](C(N)=O)C2)CC1 ZINC001313961931 1074053719 /nfs/dbraw/zinc/05/37/19/1074053719.db2.gz ZMMPOMSJZPTNDW-QGZVFWFLSA-N 0 3 432.573 -0.260 20 0 IBADHN CCOCc1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1CCS(=O)(=O)CC ZINC001314383936 1074062183 /nfs/dbraw/zinc/06/21/83/1074062183.db2.gz UOCULZJTJDBXKW-INIZCTEOSA-N 0 3 442.586 -0.008 20 0 IBADHN CCOCc1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1CCS(=O)(=O)CC ZINC001314383937 1074062153 /nfs/dbraw/zinc/06/21/53/1074062153.db2.gz UOCULZJTJDBXKW-MRXNPFEDSA-N 0 3 442.586 -0.008 20 0 IBADHN CCOCc1nnc(N2CCN(S(C)(=O)=O)CC2)n1CCN1CCN(C)C(C)(C)C1 ZINC001314394968 1074062517 /nfs/dbraw/zinc/06/25/17/1074062517.db2.gz CCXCEKCHCNAOGU-UHFFFAOYSA-N 0 3 443.618 -0.078 20 0 IBADHN CCOCc1nnc(N2CCN3C(=O)NC[C@H]3C2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001314401105 1074063143 /nfs/dbraw/zinc/06/31/43/1074063143.db2.gz OXVGANKPDMFUFR-DLBZAZTESA-N 0 3 448.572 -0.029 20 0 IBADHN CCOCc1nnc(N2CCN3C(=O)NC[C@@H]3C2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001314401106 1074063036 /nfs/dbraw/zinc/06/30/36/1074063036.db2.gz OXVGANKPDMFUFR-IAGOWNOFSA-N 0 3 448.572 -0.029 20 0 IBADHN CCOCc1nnc(N2CCN3C(=O)NC[C@H]3C2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001314401107 1074063191 /nfs/dbraw/zinc/06/31/91/1074063191.db2.gz OXVGANKPDMFUFR-IRXDYDNUSA-N 0 3 448.572 -0.029 20 0 IBADHN CCOCc1nnc(N2CCN3C(=O)NC[C@@H]3C2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001314401108 1074062908 /nfs/dbraw/zinc/06/29/08/1074062908.db2.gz OXVGANKPDMFUFR-SJORKVTESA-N 0 3 448.572 -0.029 20 0 IBADHN CN(C)C(=O)CN1CCN(c2nnc(C(=O)N3CCCC3)n2CCN2CCCC2)CC1 ZINC001314642324 1074070559 /nfs/dbraw/zinc/07/05/59/1074070559.db2.gz FBOFNRYOEJMAMH-UHFFFAOYSA-N 0 3 432.573 -0.180 20 0 IBADHN CN1CCC[C@@H]1C(=O)N1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCOCCCO)CC1 ZINC001314923395 1074078831 /nfs/dbraw/zinc/07/88/31/1074078831.db2.gz CZONNCFMNFYZLN-DLBZAZTESA-N 0 3 449.556 -0.629 20 0 IBADHN CN1CCC[C@@H]1C(=O)N1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCOCCCO)CC1 ZINC001314923396 1074079010 /nfs/dbraw/zinc/07/90/10/1074079010.db2.gz CZONNCFMNFYZLN-IAGOWNOFSA-N 0 3 449.556 -0.629 20 0 IBADHN CN1CCC[C@H]1C(=O)N1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCOCCCO)CC1 ZINC001314923397 1074079024 /nfs/dbraw/zinc/07/90/24/1074079024.db2.gz CZONNCFMNFYZLN-IRXDYDNUSA-N 0 3 449.556 -0.629 20 0 IBADHN CN1CCC[C@H]1C(=O)N1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCOCCCO)CC1 ZINC001314923398 1074079077 /nfs/dbraw/zinc/07/90/77/1074079077.db2.gz CZONNCFMNFYZLN-SJORKVTESA-N 0 3 449.556 -0.629 20 0 IBADHN CN1CCN(CCn2c(-c3cnccn3)nnc2N2CCS(=O)(=O)CC2)CC1(C)C ZINC001314930187 1074080205 /nfs/dbraw/zinc/08/02/05/1074080205.db2.gz CWANYXWVZKAWSI-UHFFFAOYSA-N 0 3 434.570 -0.004 20 0 IBADHN CN1CCN(CCn2c(N3CCN4C(=O)C(=O)NC[C@H]4C3)nnc2C(C)(C)C)CC1(C)C ZINC001314930682 1074080516 /nfs/dbraw/zinc/08/05/16/1074080516.db2.gz JLLYVNBXHGEDNN-INIZCTEOSA-N 0 3 446.600 -0.251 20 0 IBADHN CN1CCN(CCn2c(N3CCN4C(=O)C(=O)NC[C@@H]4C3)nnc2C(C)(C)C)CC1(C)C ZINC001314930684 1074080457 /nfs/dbraw/zinc/08/04/57/1074080457.db2.gz JLLYVNBXHGEDNN-MRXNPFEDSA-N 0 3 446.600 -0.251 20 0 IBADHN CN1CCN(CCn2c(C(=O)N3CCCC3)nnc2N2CC[C@H](C(N)=O)C2)CC1(C)C ZINC001314931762 1074080423 /nfs/dbraw/zinc/08/04/23/1074080423.db2.gz VKZGODUQMHXBPB-INIZCTEOSA-N 0 3 432.573 -0.148 20 0 IBADHN CN1CCN(CCn2c(C(=O)N3CCCC3)nnc2N2CC[C@@H](C(N)=O)C2)CC1(C)C ZINC001314931764 1074080394 /nfs/dbraw/zinc/08/03/94/1074080394.db2.gz VKZGODUQMHXBPB-MRXNPFEDSA-N 0 3 432.573 -0.148 20 0 IBADHN CNC(=O)[C@H]1CN(c2nnc([C@H]3CCOC3)n2CCN2CCN(C)C(C)(C)C2)CCO1 ZINC001315011220 1074086226 /nfs/dbraw/zinc/08/62/26/1074086226.db2.gz LTDNMHFUJBGDCQ-DLBZAZTESA-N 0 3 435.573 -0.241 20 0 IBADHN CNC(=O)[C@H]1CN(c2nnc([C@@H]3CCOC3)n2CCN2CCN(C)C(C)(C)C2)CCO1 ZINC001315011223 1074086421 /nfs/dbraw/zinc/08/64/21/1074086421.db2.gz LTDNMHFUJBGDCQ-IAGOWNOFSA-N 0 3 435.573 -0.241 20 0 IBADHN CNC(=O)[C@@H]1CN(c2nnc([C@H]3CCOC3)n2CCN2CCN(C)C(C)(C)C2)CCO1 ZINC001315011225 1074086359 /nfs/dbraw/zinc/08/63/59/1074086359.db2.gz LTDNMHFUJBGDCQ-IRXDYDNUSA-N 0 3 435.573 -0.241 20 0 IBADHN CNC(=O)[C@@H]1CN(c2nnc([C@@H]3CCOC3)n2CCN2CCN(C)C(C)(C)C2)CCO1 ZINC001315011227 1074086496 /nfs/dbraw/zinc/08/64/96/1074086496.db2.gz LTDNMHFUJBGDCQ-SJORKVTESA-N 0 3 435.573 -0.241 20 0 IBADHN CNC(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001315042465 1074089967 /nfs/dbraw/zinc/08/99/67/1074089967.db2.gz PGUPOMMEEKPOIN-INIZCTEOSA-N 0 3 446.556 -0.607 20 0 IBADHN CNC(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001315042466 1074090050 /nfs/dbraw/zinc/09/00/50/1074090050.db2.gz PGUPOMMEEKPOIN-MRXNPFEDSA-N 0 3 446.556 -0.607 20 0 IBADHN CNS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCN(CC(C)C)CC1 ZINC001315071916 1074095266 /nfs/dbraw/zinc/09/52/66/1074095266.db2.gz AKYPWGHAHQAFOY-UHFFFAOYSA-N 0 3 427.575 -0.272 20 0 IBADHN CNS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001315072015 1074095649 /nfs/dbraw/zinc/09/56/49/1074095649.db2.gz IBMNRAGFENQTHZ-UHFFFAOYSA-N 0 3 439.586 -0.476 20 0 IBADHN COCCN(C)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC(=O)N(C)[C@@H](C)C1 ZINC001316068598 1074113389 /nfs/dbraw/zinc/11/33/89/1074113389.db2.gz QGCMZDWGJSPHIQ-KBPBESRZSA-N 0 3 431.563 -0.867 20 0 IBADHN COCCN(C)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC(=O)N(C)[C@H](C)C1 ZINC001316068599 1074113658 /nfs/dbraw/zinc/11/36/58/1074113658.db2.gz QGCMZDWGJSPHIQ-KGLIPLIRSA-N 0 3 431.563 -0.867 20 0 IBADHN COCCN(C)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC(=O)N(C)[C@@H](C)C1 ZINC001316068600 1074113596 /nfs/dbraw/zinc/11/35/96/1074113596.db2.gz QGCMZDWGJSPHIQ-UONOGXRCSA-N 0 3 431.563 -0.867 20 0 IBADHN COCCN(C)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC(=O)N(C)[C@H](C)C1 ZINC001316068601 1074113537 /nfs/dbraw/zinc/11/35/37/1074113537.db2.gz QGCMZDWGJSPHIQ-ZIAGYGMSSA-N 0 3 431.563 -0.867 20 0 IBADHN COCCN(C)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(C)=O)C[C@H]1C ZINC001316069353 1074113645 /nfs/dbraw/zinc/11/36/45/1074113645.db2.gz ZSXUFDTUABORBV-CABCVRRESA-N 0 3 445.590 -0.477 20 0 IBADHN COCCN(C)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(C)=O)C[C@@H]1C ZINC001316069354 1074113626 /nfs/dbraw/zinc/11/36/26/1074113626.db2.gz ZSXUFDTUABORBV-GJZGRUSLSA-N 0 3 445.590 -0.477 20 0 IBADHN COCCN(C)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(C)=O)C[C@H]1C ZINC001316069355 1074113523 /nfs/dbraw/zinc/11/35/23/1074113523.db2.gz ZSXUFDTUABORBV-HUUCEWRRSA-N 0 3 445.590 -0.477 20 0 IBADHN COCCN(C)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(C)=O)C[C@@H]1C ZINC001316069356 1074113686 /nfs/dbraw/zinc/11/36/86/1074113686.db2.gz ZSXUFDTUABORBV-LSDHHAIUSA-N 0 3 445.590 -0.477 20 0 IBADHN COCCN(C)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O ZINC001316070122 1074113583 /nfs/dbraw/zinc/11/35/83/1074113583.db2.gz BWLPEXDMFQLRFX-AWEZNQCLSA-N 0 3 448.528 -0.672 20 0 IBADHN COCCN(C)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O ZINC001316070124 1074113416 /nfs/dbraw/zinc/11/34/16/1074113416.db2.gz BWLPEXDMFQLRFX-CQSZACIVSA-N 0 3 448.528 -0.672 20 0 IBADHN COCCN(C)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCc2nn(C)c(=O)cc2C1 ZINC001316071355 1074114231 /nfs/dbraw/zinc/11/42/31/1074114231.db2.gz QBJWAINPWUOJOZ-INIZCTEOSA-N 0 3 430.513 -0.536 20 0 IBADHN COCCN(C)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCc2nn(C)c(=O)cc2C1 ZINC001316071394 1074114255 /nfs/dbraw/zinc/11/42/55/1074114255.db2.gz QBJWAINPWUOJOZ-MRXNPFEDSA-N 0 3 430.513 -0.536 20 0 IBADHN COCCN(C)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H]1CCOC1 ZINC001316071932 1074114218 /nfs/dbraw/zinc/11/42/18/1074114218.db2.gz OSCQKMQXTAGCHM-CVEARBPZSA-N 0 3 446.574 -0.586 20 0 IBADHN COCCN(C)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H]1CCOC1 ZINC001316071933 1074114119 /nfs/dbraw/zinc/11/41/19/1074114119.db2.gz OSCQKMQXTAGCHM-HOTGVXAUSA-N 0 3 446.574 -0.586 20 0 IBADHN COCCN(C)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H]1CCOC1 ZINC001316071934 1074114165 /nfs/dbraw/zinc/11/41/65/1074114165.db2.gz OSCQKMQXTAGCHM-HZPDHXFCSA-N 0 3 446.574 -0.586 20 0 IBADHN COCCN(C)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H]1CCOC1 ZINC001316071935 1074114130 /nfs/dbraw/zinc/11/41/30/1074114130.db2.gz OSCQKMQXTAGCHM-JKSUJKDBSA-N 0 3 446.574 -0.586 20 0 IBADHN COCCN(C)CCn1c(Cc2ccsc2)nnc1N1CCN2C(=O)C(=O)NC[C@H]2C1 ZINC001316072484 1074114211 /nfs/dbraw/zinc/11/42/11/1074114211.db2.gz BEJBEFTUSHFJQE-INIZCTEOSA-N 0 3 447.565 -0.344 20 0 IBADHN COCCN(C)CCn1c(Cc2ccsc2)nnc1N1CCN2C(=O)C(=O)NC[C@@H]2C1 ZINC001316072489 1074114175 /nfs/dbraw/zinc/11/41/75/1074114175.db2.gz BEJBEFTUSHFJQE-MRXNPFEDSA-N 0 3 447.565 -0.344 20 0 IBADHN COCCN(C)CCn1c(CN2CCCC2=O)nnc1N1CCc2nn(C)c(=O)cc2C1 ZINC001316074121 1074114633 /nfs/dbraw/zinc/11/46/33/1074114633.db2.gz BEQVHXWSHNJXMB-UHFFFAOYSA-N 0 3 444.540 -0.365 20 0 IBADHN COCCN(C)CCn1c(CN2CCCC2=O)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC001316074886 1074114810 /nfs/dbraw/zinc/11/48/10/1074114810.db2.gz QSRMOCPQTCDOPO-CVEARBPZSA-N 0 3 435.529 -0.087 20 0 IBADHN COCCN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCN2CC=CCC2)CC1 ZINC001316121650 1074117791 /nfs/dbraw/zinc/11/77/91/1074117791.db2.gz UMQNDQUFROENBX-KRWDZBQOSA-N 0 3 441.602 -0.081 20 0 IBADHN COCCN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCN2CC=CCC2)CC1 ZINC001316121652 1074117747 /nfs/dbraw/zinc/11/77/47/1074117747.db2.gz UMQNDQUFROENBX-QGZVFWFLSA-N 0 3 441.602 -0.081 20 0 IBADHN CON(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCN(C)C(C)(C)C1 ZINC001316311606 1074125621 /nfs/dbraw/zinc/12/56/21/1074125621.db2.gz OCLZBGUMMNXLEN-HNNXBMFYSA-N 0 3 445.590 -0.365 20 0 IBADHN CON(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCN1CCN(C)C(C)(C)C1 ZINC001316311607 1074125699 /nfs/dbraw/zinc/12/56/99/1074125699.db2.gz OCLZBGUMMNXLEN-OAHLLOKOSA-N 0 3 445.590 -0.365 20 0 IBADHN CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCNC(=O)C3)n2CCN2CCCCC2)C1 ZINC001316353636 1074130252 /nfs/dbraw/zinc/13/02/52/1074130252.db2.gz BRBQBCRSWOJNTH-HNNXBMFYSA-N 0 3 441.558 -0.967 20 0 IBADHN CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCNC(=O)C3)n2CCN2CCCCC2)C1 ZINC001316353637 1074130223 /nfs/dbraw/zinc/13/02/23/1074130223.db2.gz BRBQBCRSWOJNTH-OAHLLOKOSA-N 0 3 441.558 -0.967 20 0 IBADHN CCN1CCN(CCCNC(=O)Cn2c3ccc(S(N)(=O)=O)cc3oc2=O)CC1 ZINC001317983470 1074150796 /nfs/dbraw/zinc/15/07/96/1074150796.db2.gz XVWMNTNADWOHKT-UHFFFAOYSA-N 0 3 425.511 -0.614 20 0 IBADHN CN1CCN(CCCNC(=O)c2cc(S(N)(=O)=O)ccc2N2CCOCC2)CC1 ZINC001318010949 1074152198 /nfs/dbraw/zinc/15/21/98/1074152198.db2.gz FBSQMRDXIKCSLY-UHFFFAOYSA-N 0 3 425.555 -0.462 20 0 IBADHN CN1CCN(CCCCNC(=O)c2cc(S(N)(=O)=O)ccc2N2CCOCC2)CC1 ZINC001318024798 1074152672 /nfs/dbraw/zinc/15/26/72/1074152672.db2.gz QFLMAGQHPQOMIR-UHFFFAOYSA-N 0 3 439.582 -0.072 20 0 IBADHN CN1CCN(CCCCNC(=O)Cn2c3ccc(S(N)(=O)=O)cc3oc2=O)CC1 ZINC001318024892 1074152707 /nfs/dbraw/zinc/15/27/07/1074152707.db2.gz RJMIVZYYMAUSEY-UHFFFAOYSA-N 0 3 425.511 -0.614 20 0 IBADHN COc1c(F)cc(CC(=O)N2CCC(N3CCC[C@H]3C(N)=O)CC2)cc1S(N)(=O)=O ZINC001318178316 1074156064 /nfs/dbraw/zinc/15/60/64/1074156064.db2.gz BGWKDIOISSWOMT-HNNXBMFYSA-N 0 3 442.513 -0.035 20 0 IBADHN COc1c(F)cc(CC(=O)N2CCC(N3CCC[C@@H]3C(N)=O)CC2)cc1S(N)(=O)=O ZINC001318178319 1074156225 /nfs/dbraw/zinc/15/62/25/1074156225.db2.gz BGWKDIOISSWOMT-OAHLLOKOSA-N 0 3 442.513 -0.035 20 0 IBADHN NC(=O)[C@@H]1CCCN1C1CCN(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)CC1 ZINC001318179191 1074156248 /nfs/dbraw/zinc/15/62/48/1074156248.db2.gz NQUZQXHPAQNWKO-HNNXBMFYSA-N 0 3 440.522 -0.145 20 0 IBADHN NC(=O)[C@H]1CCCN1C1CCN(C(=O)c2ccc(S(=O)(=O)N3CCOCC3)o2)CC1 ZINC001318179193 1074156182 /nfs/dbraw/zinc/15/61/82/1074156182.db2.gz NQUZQXHPAQNWKO-OAHLLOKOSA-N 0 3 440.522 -0.145 20 0 IBADHN Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)NCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC001318229907 1074156725 /nfs/dbraw/zinc/15/67/25/1074156725.db2.gz PPBAUPLCINCCPY-INIZCTEOSA-N 0 3 434.541 -0.037 20 0 IBADHN Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)NCCC[N@@H+]1CCC[C@H](C(N)=O)C1 ZINC001318229907 1074156722 /nfs/dbraw/zinc/15/67/22/1074156722.db2.gz PPBAUPLCINCCPY-INIZCTEOSA-N 0 3 434.541 -0.037 20 0 IBADHN Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)NCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC001318229908 1074156674 /nfs/dbraw/zinc/15/66/74/1074156674.db2.gz PPBAUPLCINCCPY-MRXNPFEDSA-N 0 3 434.541 -0.037 20 0 IBADHN Cc1nc(N2CCOCC2)[n-]c(=O)c1CCC(=O)NCCC[N@@H+]1CCC[C@@H](C(N)=O)C1 ZINC001318229908 1074156670 /nfs/dbraw/zinc/15/66/70/1074156670.db2.gz PPBAUPLCINCCPY-MRXNPFEDSA-N 0 3 434.541 -0.037 20 0 IBADHN CN1CCN(Cc2cccc(CNC(=O)NCCS(=O)(=O)N3CCOCC3)c2)CC1 ZINC001318232850 1074156751 /nfs/dbraw/zinc/15/67/51/1074156751.db2.gz MHPBKTIHNBOYOF-UHFFFAOYSA-N 0 3 439.582 -0.105 20 0 IBADHN CN1CCN(Cc2cccc(CNC(=O)N3CCN(C(=O)Cn4cnnn4)CC3)c2)CC1 ZINC001318251336 1074157106 /nfs/dbraw/zinc/15/71/06/1074157106.db2.gz SMGMLCFCIHDNBY-UHFFFAOYSA-N 0 3 441.540 -0.526 20 0 IBADHN CN(CCCN1CCN(C)CC1)C(=O)Cn1c2ccc(S(N)(=O)=O)cc2oc1=O ZINC001318488589 1074167344 /nfs/dbraw/zinc/16/73/44/1074167344.db2.gz LMEFPLHWWGMHHC-UHFFFAOYSA-N 0 3 425.511 -0.662 20 0 IBADHN C[C@H](CNC(=O)Cn1c2ccc(S(N)(=O)=O)cc2oc1=O)CN1CCN(C)CC1 ZINC001318492094 1074167368 /nfs/dbraw/zinc/16/73/68/1074167368.db2.gz ZKFVNZFQSVURDJ-CYBMUJFWSA-N 0 3 425.511 -0.758 20 0 IBADHN C[C@@H](CNC(=O)Cn1c2ccc(S(N)(=O)=O)cc2oc1=O)CN1CCN(C)CC1 ZINC001318492095 1074167181 /nfs/dbraw/zinc/16/71/81/1074167181.db2.gz ZKFVNZFQSVURDJ-ZDUSSCGKSA-N 0 3 425.511 -0.758 20 0 IBADHN CS(=O)(=O)CCN1CCC(NC(=O)N[C@@H]2CCN(CCN3CCOCC3)C2)CC1 ZINC001318870939 1074178649 /nfs/dbraw/zinc/17/86/49/1074178649.db2.gz JKLGJGHIXIIUIS-GOSISDBHSA-N 0 3 431.603 -0.799 20 0 IBADHN CS(=O)(=O)CCN1CCC(NC(=O)N[C@H]2CCN(CCN3CCOCC3)C2)CC1 ZINC001318870940 1074178506 /nfs/dbraw/zinc/17/85/06/1074178506.db2.gz JKLGJGHIXIIUIS-SFHVURJKSA-N 0 3 431.603 -0.799 20 0 IBADHN CN1CCC([NH+]2CCC(NC(=O)c3ccc(S(=O)(=O)[N-]CC(N)=O)o3)CC2)CC1 ZINC001318912847 1074179110 /nfs/dbraw/zinc/17/91/10/1074179110.db2.gz JHISLQYJDCPGBK-UHFFFAOYSA-N 0 3 427.527 -0.668 20 0 IBADHN O=C(CN1CCCN(C[C@@H]2CCCO2)CC1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC001319086519 1074183701 /nfs/dbraw/zinc/18/37/01/1074183701.db2.gz QMQAOTHTINUMMD-MOPGFXCFSA-N 0 3 428.599 -0.496 20 0 IBADHN O=C(CN1CCCN(C[C@@H]2CCCO2)CC1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC001319086520 1074183766 /nfs/dbraw/zinc/18/37/66/1074183766.db2.gz QMQAOTHTINUMMD-OALUTQOASA-N 0 3 428.599 -0.496 20 0 IBADHN O=C(CN1CCCN(C[C@H]2CCCO2)CC1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC001319086521 1074183718 /nfs/dbraw/zinc/18/37/18/1074183718.db2.gz QMQAOTHTINUMMD-RBUKOAKNSA-N 0 3 428.599 -0.496 20 0 IBADHN O=C(CN1CCCN(C[C@H]2CCCO2)CC1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC001319086523 1074183669 /nfs/dbraw/zinc/18/36/69/1074183669.db2.gz QMQAOTHTINUMMD-RTBURBONSA-N 0 3 428.599 -0.496 20 0 IBADHN CN1CCN(Cc2cccc(CNS(=O)(=O)N3CCN(S(C)(=O)=O)CC3)c2)CC1 ZINC001319094587 1074184265 /nfs/dbraw/zinc/18/42/65/1074184265.db2.gz GUHAQQLAENZPPX-UHFFFAOYSA-N 0 3 445.611 -0.654 20 0 IBADHN NC(=O)[C@H]1CCCN1C1CCN(C(=O)CCC(=O)N2CCN(c3ncccn3)CC2)CC1 ZINC001319187279 1074187394 /nfs/dbraw/zinc/18/73/94/1074187394.db2.gz KNRDLEDOFJTKTQ-GOSISDBHSA-N 0 3 443.552 -0.154 20 0 IBADHN NC(=O)[C@@H]1CCCN1C1CCN(C(=O)CCC(=O)N2CCN(c3ncccn3)CC2)CC1 ZINC001319187280 1074187267 /nfs/dbraw/zinc/18/72/67/1074187267.db2.gz KNRDLEDOFJTKTQ-SFHVURJKSA-N 0 3 443.552 -0.154 20 0 IBADHN CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)NC[C@H](C)CN2CCN(C)CC2)s1 ZINC001319278810 1074188944 /nfs/dbraw/zinc/18/89/44/1074188944.db2.gz QOEFWDWURJUTIS-AWEZNQCLSA-N 0 3 445.611 -0.338 20 0 IBADHN CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)NC[C@@H](C)CN2CCN(C)CC2)s1 ZINC001319278812 1074189354 /nfs/dbraw/zinc/18/93/54/1074189354.db2.gz QOEFWDWURJUTIS-CQSZACIVSA-N 0 3 445.611 -0.338 20 0 IBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)C2CCN(c3ccc4nnnn4n3)CC2)CC1 ZINC001319294524 1074189385 /nfs/dbraw/zinc/18/93/85/1074189385.db2.gz YHZNEHLDTPODPO-INIZCTEOSA-N 0 3 427.513 -0.499 20 0 IBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)C2CCN(c3ccc4nnnn4n3)CC2)CC1 ZINC001319294525 1074189404 /nfs/dbraw/zinc/18/94/04/1074189404.db2.gz YHZNEHLDTPODPO-MRXNPFEDSA-N 0 3 427.513 -0.499 20 0 IBADHN Cc1nn(-c2cncc3nnnn32)c(C)c1CC(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC001319401451 1074193255 /nfs/dbraw/zinc/19/32/55/1074193255.db2.gz ZHWFQVUITZGXSK-AWEZNQCLSA-N 0 3 426.529 -0.136 20 0 IBADHN Cc1nn(-c2cncc3nnnn32)c(C)c1CC(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC001319401459 1074193340 /nfs/dbraw/zinc/19/33/40/1074193340.db2.gz ZHWFQVUITZGXSK-CQSZACIVSA-N 0 3 426.529 -0.136 20 0 IBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N[C@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1 ZINC001319833268 1074203282 /nfs/dbraw/zinc/20/32/82/1074203282.db2.gz HVURQGHQANTKPR-BXWFABGCSA-N 0 3 430.571 -0.035 20 0 IBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N[C@@H]1CCO[C@@]2(CCS(=O)(=O)C2)C1 ZINC001319833269 1074203296 /nfs/dbraw/zinc/20/32/96/1074203296.db2.gz HVURQGHQANTKPR-GJYPPUQNSA-N 0 3 430.571 -0.035 20 0 IBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N[C@@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC001319833270 1074203190 /nfs/dbraw/zinc/20/31/90/1074203190.db2.gz HVURQGHQANTKPR-JTDSTZFVSA-N 0 3 430.571 -0.035 20 0 IBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N[C@H]1CCO[C@]2(CCS(=O)(=O)C2)C1 ZINC001319833271 1074203365 /nfs/dbraw/zinc/20/33/65/1074203365.db2.gz HVURQGHQANTKPR-TXPKVOOTSA-N 0 3 430.571 -0.035 20 0 IBADHN Cn1ncc2c1ncnc2N1CCN(C(=O)CN2CCN(C3CCOCC3)CC2)CC1 ZINC001319933753 1074205268 /nfs/dbraw/zinc/20/52/68/1074205268.db2.gz ANCDDZXMTJKLPF-UHFFFAOYSA-N 0 3 428.541 -0.192 20 0 IBADHN C[C@H]1CN(S(=O)(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C)CC[C@@H]1N1CCN(C)CC1 ZINC001320339763 1074211888 /nfs/dbraw/zinc/21/18/88/1074211888.db2.gz DGAVRBMMKXWTQZ-BBRMVZONSA-N 0 3 436.538 -0.319 20 0 IBADHN C[C@@H]1CN(S(=O)(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C)CC[C@@H]1N1CCN(C)CC1 ZINC001320339764 1074211872 /nfs/dbraw/zinc/21/18/72/1074211872.db2.gz DGAVRBMMKXWTQZ-CJNGLKHVSA-N 0 3 436.538 -0.319 20 0 IBADHN C[C@@H]1CN(S(=O)(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C)CC[C@H]1N1CCN(C)CC1 ZINC001320339765 1074212303 /nfs/dbraw/zinc/21/23/03/1074212303.db2.gz DGAVRBMMKXWTQZ-CZUORRHYSA-N 0 3 436.538 -0.319 20 0 IBADHN C[C@H]1CN(S(=O)(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C)CC[C@H]1N1CCN(C)CC1 ZINC001320339766 1074212229 /nfs/dbraw/zinc/21/22/29/1074212229.db2.gz DGAVRBMMKXWTQZ-XJKSGUPXSA-N 0 3 436.538 -0.319 20 0 IBADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)NC1CCN(S(=O)(=O)c2cnn(C)c2)CC1 ZINC001320342161 1074212171 /nfs/dbraw/zinc/21/21/71/1074212171.db2.gz NQJWQKZSPVTFMF-INIZCTEOSA-N 0 3 441.602 -0.102 20 0 IBADHN C[C@H](CCN1CCN(C)CC1)NC(=O)NC1CCN(S(=O)(=O)c2cnn(C)c2)CC1 ZINC001320342162 1074212326 /nfs/dbraw/zinc/21/23/26/1074212326.db2.gz NQJWQKZSPVTFMF-MRXNPFEDSA-N 0 3 441.602 -0.102 20 0 IBADHN CN1CCN(CCC(C)(C)NC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)CC1 ZINC001320366563 1074212352 /nfs/dbraw/zinc/21/23/52/1074212352.db2.gz BOUHBYGFBWDYFN-HNNXBMFYSA-N 0 3 427.571 -0.316 20 0 IBADHN CN1CCN(CCC(C)(C)NC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)CC1 ZINC001320366565 1074212276 /nfs/dbraw/zinc/21/22/76/1074212276.db2.gz BOUHBYGFBWDYFN-OAHLLOKOSA-N 0 3 427.571 -0.316 20 0 IBADHN C[C@H](CCN1CCN(C)CC1)NC(=O)Cn1c2ccc(S(N)(=O)=O)cc2oc1=O ZINC001320654196 1074216623 /nfs/dbraw/zinc/21/66/23/1074216623.db2.gz WAZLUVFOKXPDIA-CYBMUJFWSA-N 0 3 425.511 -0.616 20 0 IBADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)Cn1c2ccc(S(N)(=O)=O)cc2oc1=O ZINC001320654197 1074216747 /nfs/dbraw/zinc/21/67/47/1074216747.db2.gz WAZLUVFOKXPDIA-ZDUSSCGKSA-N 0 3 425.511 -0.616 20 0 IBADHN CN(C1CCN(CC(O)CN2CCC(N(C)S(C)(=O)=O)CC2)CC1)S(C)(=O)=O ZINC001321008530 1074222670 /nfs/dbraw/zinc/22/26/70/1074222670.db2.gz XDFSHPITIJLDQN-UHFFFAOYSA-N 0 3 440.632 -0.941 20 0 IBADHN CN1CCN(C)[C@H](CNC(=O)CCSCCC(=O)NC[C@H]2CN(C)CCN2C)C1 ZINC001321719138 1074235081 /nfs/dbraw/zinc/23/50/81/1074235081.db2.gz WNMIQVLFZLKRKQ-HDICACEKSA-N 0 3 428.647 -0.776 20 0 IBADHN CN1CCN(C)[C@H](CNC(=O)CCSCCC(=O)NC[C@@H]2CN(C)CCN2C)C1 ZINC001321719139 1074235029 /nfs/dbraw/zinc/23/50/29/1074235029.db2.gz WNMIQVLFZLKRKQ-QZTJIDSGSA-N 0 3 428.647 -0.776 20 0 IBADHN CN1CCN(C)[C@@H](CNC(=O)CCSCCC(=O)NC[C@H]2CN(C)CCN2C)C1 ZINC001321719140 1074235152 /nfs/dbraw/zinc/23/51/52/1074235152.db2.gz WNMIQVLFZLKRKQ-ROUUACIJSA-N 0 3 428.647 -0.776 20 0 IBADHN CCOC(=O)C1(S(C)(=O)=O)CCN(CN2C(=O)NC3(CCN(C)CC3)C2=O)CC1 ZINC001321834861 1074237168 /nfs/dbraw/zinc/23/71/68/1074237168.db2.gz ZSBSRIBASUDSAN-UHFFFAOYSA-N 0 3 430.527 -0.598 20 0 IBADHN O=C(COCC(=O)N1CC[C@@H](CN2CCOCC2)C1)N1CC[C@H](CN2CCOCC2)C1 ZINC001322075506 1074241147 /nfs/dbraw/zinc/24/11/47/1074241147.db2.gz VMYXAEYJHKTTCI-BGYRXZFFSA-N 0 3 438.569 -0.636 20 0 IBADHN Cc1nc(C(=O)NC2CCN(CC(=O)N(C)C)CC2)nn1-c1nnc(C(F)(F)F)[nH]1 ZINC001322269690 1074244075 /nfs/dbraw/zinc/24/40/75/1074244075.db2.gz LNRLRVCIWIMCPQ-UHFFFAOYSA-N 0 3 429.407 -0.005 20 0 IBADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)C1CCN(c2ccc3nnnn3n2)CC1 ZINC001322422449 1074245472 /nfs/dbraw/zinc/24/54/72/1074245472.db2.gz CNXRLLVALKOVKC-INIZCTEOSA-N 0 3 429.529 -0.205 20 0 IBADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)C1CCN(c2ccc3nnnn3n2)CC1 ZINC001322422450 1074245430 /nfs/dbraw/zinc/24/54/30/1074245430.db2.gz CNXRLLVALKOVKC-MRXNPFEDSA-N 0 3 429.529 -0.205 20 0 IBADHN C[C@H](CN1CCN(C)CC1)NC(=O)CSCC(=O)N[C@@H](C)CN1CCN(C)CC1 ZINC001322561348 1074247534 /nfs/dbraw/zinc/24/75/34/1074247534.db2.gz DALNSABODDDDGT-HDICACEKSA-N 0 3 428.647 -0.776 20 0 IBADHN C[C@H](CN1CCN(C)CC1)NC(=O)CSCC(=O)N[C@H](C)CN1CCN(C)CC1 ZINC001322561351 1074247604 /nfs/dbraw/zinc/24/76/04/1074247604.db2.gz DALNSABODDDDGT-QZTJIDSGSA-N 0 3 428.647 -0.776 20 0 IBADHN C[C@@H](CN1CCN(C)CC1)NC(=O)CSCC(=O)N[C@@H](C)CN1CCN(C)CC1 ZINC001322561353 1074247569 /nfs/dbraw/zinc/24/75/69/1074247569.db2.gz DALNSABODDDDGT-ROUUACIJSA-N 0 3 428.647 -0.776 20 0 IBADHN NC(CCN1CCN(Cc2ccccc2)CC1)=NOCC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC001322582796 1074247972 /nfs/dbraw/zinc/24/79/72/1074247972.db2.gz WEDCAWJOMPCAAD-GOSISDBHSA-N 0 3 437.566 -0.004 20 0 IBADHN NC(CCN1CCN(Cc2ccccc2)CC1)=NOCC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC001322582802 1074248070 /nfs/dbraw/zinc/24/80/70/1074248070.db2.gz WEDCAWJOMPCAAD-SFHVURJKSA-N 0 3 437.566 -0.004 20 0 IBADHN CN1CCN(CCCNC(=O)[C@@H]2CCCC[C@@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)CC1 ZINC001322628222 1074248908 /nfs/dbraw/zinc/24/89/08/1074248908.db2.gz RBZHUJOQNAXGJL-KSZLIROESA-N 0 3 428.599 -0.150 20 0 IBADHN CN1CCN(CCCNC(=O)[C@@H]2CCCC[C@@H]2C(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001322628224 1074248842 /nfs/dbraw/zinc/24/88/42/1074248842.db2.gz RBZHUJOQNAXGJL-KURKYZTESA-N 0 3 428.599 -0.150 20 0 IBADHN CN1CCN(CCCNC(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001322628227 1074248783 /nfs/dbraw/zinc/24/87/83/1074248783.db2.gz RBZHUJOQNAXGJL-KZNAEPCWSA-N 0 3 428.599 -0.150 20 0 IBADHN CN1CCN(CCCNC(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)CC1 ZINC001322628230 1074248944 /nfs/dbraw/zinc/24/89/44/1074248944.db2.gz RBZHUJOQNAXGJL-RCCFBDPRSA-N 0 3 428.599 -0.150 20 0 IBADHN C[C@H](CNC(=O)CSCC(=O)NC[C@H](C)N1CCN(C)CC1)N1CCN(C)CC1 ZINC001322867739 1074251859 /nfs/dbraw/zinc/25/18/59/1074251859.db2.gz JFULLOWUWJWEOQ-HDICACEKSA-N 0 3 428.647 -0.776 20 0 IBADHN C[C@H](CNC(=O)CSCC(=O)NC[C@@H](C)N1CCN(C)CC1)N1CCN(C)CC1 ZINC001322867740 1074251980 /nfs/dbraw/zinc/25/19/80/1074251980.db2.gz JFULLOWUWJWEOQ-QZTJIDSGSA-N 0 3 428.647 -0.776 20 0 IBADHN C[C@@H](CNC(=O)CSCC(=O)NC[C@H](C)N1CCN(C)CC1)N1CCN(C)CC1 ZINC001322867741 1074251886 /nfs/dbraw/zinc/25/18/86/1074251886.db2.gz JFULLOWUWJWEOQ-ROUUACIJSA-N 0 3 428.647 -0.776 20 0 IBADHN CN(C)CCN1C[C@@H](C(=O)Nc2cc(C(N)=O)ccc2CN2C(=O)CN(C)C2=O)CC1=O ZINC001323689722 1074259814 /nfs/dbraw/zinc/25/98/14/1074259814.db2.gz CLTAJCGFVKLILZ-HNNXBMFYSA-N 0 3 444.492 -0.472 20 0 IBADHN CN(C)CCN1C[C@H](C(=O)Nc2cc(C(N)=O)ccc2CN2C(=O)CN(C)C2=O)CC1=O ZINC001323689723 1074259663 /nfs/dbraw/zinc/25/96/63/1074259663.db2.gz CLTAJCGFVKLILZ-OAHLLOKOSA-N 0 3 444.492 -0.472 20 0 IBADHN CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)NC[C@H](C)CN1CCN(CC)CC1 ZINC001323999898 1074262535 /nfs/dbraw/zinc/26/25/35/1074262535.db2.gz PTNIBPPOMRHXIE-DLBZAZTESA-N 0 3 431.603 -0.405 20 0 IBADHN CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)NC[C@@H](C)CN1CCN(CC)CC1 ZINC001323999900 1074262736 /nfs/dbraw/zinc/26/27/36/1074262736.db2.gz PTNIBPPOMRHXIE-IAGOWNOFSA-N 0 3 431.603 -0.405 20 0 IBADHN CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)NC[C@H](C)CN1CCN(CC)CC1 ZINC001323999902 1074262776 /nfs/dbraw/zinc/26/27/76/1074262776.db2.gz PTNIBPPOMRHXIE-IRXDYDNUSA-N 0 3 431.603 -0.405 20 0 IBADHN CCN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)NC[C@@H](C)CN1CCN(CC)CC1 ZINC001323999903 1074262512 /nfs/dbraw/zinc/26/25/12/1074262512.db2.gz PTNIBPPOMRHXIE-SJORKVTESA-N 0 3 431.603 -0.405 20 0 IBADHN O=C(NCCCN1CCN(CCCNC(=O)[C@]2(F)CCOC2)CC1)[C@@]1(F)CCOC1 ZINC001324047463 1074263218 /nfs/dbraw/zinc/26/32/18/1074263218.db2.gz UPRZNRUMPCXGMP-BGYRXZFFSA-N 0 3 432.512 -0.126 20 0 IBADHN Cc1nc(S(=O)(=O)N2CCC(C(=O)N3CC[C@H](N4CC[C@@H](O)C4)C3)CC2)cn1C ZINC001324073890 1074263680 /nfs/dbraw/zinc/26/36/80/1074263680.db2.gz XRDZROWQWNMQQH-DLBZAZTESA-N 0 3 425.555 -0.203 20 0 IBADHN Cc1nc(S(=O)(=O)N2CCC(C(=O)N3CC[C@@H](N4CC[C@@H](O)C4)C3)CC2)cn1C ZINC001324073892 1074263663 /nfs/dbraw/zinc/26/36/63/1074263663.db2.gz XRDZROWQWNMQQH-IAGOWNOFSA-N 0 3 425.555 -0.203 20 0 IBADHN Cc1nc(S(=O)(=O)N2CCC(C(=O)N3CC[C@H](N4CC[C@H](O)C4)C3)CC2)cn1C ZINC001324073896 1074263532 /nfs/dbraw/zinc/26/35/32/1074263532.db2.gz XRDZROWQWNMQQH-IRXDYDNUSA-N 0 3 425.555 -0.203 20 0 IBADHN Cc1nc(S(=O)(=O)N2CCC(C(=O)N3CC[C@@H](N4CC[C@H](O)C4)C3)CC2)cn1C ZINC001324073898 1074263633 /nfs/dbraw/zinc/26/36/33/1074263633.db2.gz XRDZROWQWNMQQH-SJORKVTESA-N 0 3 425.555 -0.203 20 0 IBADHN CNS(=O)(=O)C1CCN(CCOCCN2CCC(S(=O)(=O)NC)CC2)CC1 ZINC001324242798 1074265467 /nfs/dbraw/zinc/26/54/67/1074265467.db2.gz DAUJYNVJNBJINV-UHFFFAOYSA-N 0 3 426.605 -0.970 20 0 IBADHN Cn1ncc2c1ncnc2N1CCN(C(=O)CN2CCN(C[C@@H]3CCOC3)CC2)CC1 ZINC001324243398 1074265347 /nfs/dbraw/zinc/26/53/47/1074265347.db2.gz DHEZEWVIDUBQSU-KRWDZBQOSA-N 0 3 428.541 -0.334 20 0 IBADHN Cn1ncc2c1ncnc2N1CCN(C(=O)CN2CCN(C[C@H]3CCOC3)CC2)CC1 ZINC001324243399 1074265954 /nfs/dbraw/zinc/26/59/54/1074265954.db2.gz DHEZEWVIDUBQSU-QGZVFWFLSA-N 0 3 428.541 -0.334 20 0 IBADHN CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N2CC(CN3CCN(C)CC3)C2)cc1 ZINC001324290230 1074266696 /nfs/dbraw/zinc/26/66/96/1074266696.db2.gz KDEOXHCKLADHIQ-UHFFFAOYSA-N 0 3 437.566 -0.029 20 0 IBADHN CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)N2CC(CN3CCN(C)CC3)C2)c1 ZINC001324334536 1074267678 /nfs/dbraw/zinc/26/76/78/1074267678.db2.gz MQPMTQSUUWNJNZ-UHFFFAOYSA-N 0 3 437.566 -0.628 20 0 IBADHN CN1CCN(C2CN(C(=O)[C@@H]3CCCC[C@H]3C(=O)N3CC(N4CCN(C)CC4)C3)C2)CC1 ZINC001324387855 1074268611 /nfs/dbraw/zinc/26/86/11/1074268611.db2.gz OETJJJYJUYTQLD-FGZHOGPDSA-N 0 3 446.640 -0.291 20 0 IBADHN O=C(CN1CCCC1)N1CCN(C(=O)N[C@@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)CC1 ZINC001324924841 1074274752 /nfs/dbraw/zinc/27/47/52/1074274752.db2.gz ZQXFYHHHVHEABW-APWZRJJASA-N 0 3 428.555 -0.328 20 0 IBADHN O=C(CN1CCCC1)N1CCN(C(=O)N[C@H]2CCO[C@@]3(CCS(=O)(=O)C3)C2)CC1 ZINC001324924843 1074274913 /nfs/dbraw/zinc/27/49/13/1074274913.db2.gz ZQXFYHHHVHEABW-LPHOPBHVSA-N 0 3 428.555 -0.328 20 0 IBADHN O=C(CN1CCCC1)N1CCN(C(=O)N[C@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)CC1 ZINC001324924846 1074274779 /nfs/dbraw/zinc/27/47/79/1074274779.db2.gz ZQXFYHHHVHEABW-QFBILLFUSA-N 0 3 428.555 -0.328 20 0 IBADHN O=C(CN1CCCC1)N1CCN(C(=O)N[C@@H]2CCO[C@]3(CCS(=O)(=O)C3)C2)CC1 ZINC001324924848 1074274894 /nfs/dbraw/zinc/27/48/94/1074274894.db2.gz ZQXFYHHHVHEABW-VQIMIIECSA-N 0 3 428.555 -0.328 20 0 IBADHN NC(=O)[C@@H]1CCCN1C1CCN(c2ccc(C(=O)N3CCS(=O)(=O)CC3)cn2)CC1 ZINC001326144467 1074281465 /nfs/dbraw/zinc/28/14/65/1074281465.db2.gz UFIACAUPRFFHQV-KRWDZBQOSA-N 0 3 435.550 -0.129 20 0 IBADHN NC(=O)[C@H]1CCCN1C1CCN(c2ccc(C(=O)N3CCS(=O)(=O)CC3)cn2)CC1 ZINC001326144474 1074281419 /nfs/dbraw/zinc/28/14/19/1074281419.db2.gz UFIACAUPRFFHQV-QGZVFWFLSA-N 0 3 435.550 -0.129 20 0 IBADHN CNS(=O)(=O)C1CCN(CCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC001326227938 1074281852 /nfs/dbraw/zinc/28/18/52/1074281852.db2.gz SPCFHTQZOPURMV-UHFFFAOYSA-N 0 3 432.568 -0.604 20 0 IBADHN CN(CCCN1CCN(C)CC1)C(=O)c1cc(S(N)(=O)=O)ccc1N1CCOCC1 ZINC001327475112 1074287617 /nfs/dbraw/zinc/28/76/17/1074287617.db2.gz NYSJDRUKVHOKTA-UHFFFAOYSA-N 0 3 439.582 -0.120 20 0 IBADHN CN1CCN(CC2CN(C(=O)c3cccc(S(=O)(=O)N4CCNC(=O)C4)c3)C2)CC1 ZINC001328373982 1074290676 /nfs/dbraw/zinc/29/06/76/1074290676.db2.gz ZRFKZMPKSCPZOI-UHFFFAOYSA-N 0 3 435.550 -0.874 20 0 IBADHN O=C(CN1CCN(CC2CCOCC2)CC1)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC001328926496 1074292757 /nfs/dbraw/zinc/29/27/57/1074292757.db2.gz UZSBVOWLUGHEGM-IBGZPJMESA-N 0 3 428.599 -0.638 20 0 IBADHN O=C(CN1CCN(CC2CCOCC2)CC1)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC001328926497 1074292602 /nfs/dbraw/zinc/29/26/02/1074292602.db2.gz UZSBVOWLUGHEGM-LJQANCHMSA-N 0 3 428.599 -0.638 20 0 IBADHN CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)NCCCN2CCN(C)CC2)s1 ZINC001329604516 1074293627 /nfs/dbraw/zinc/29/36/27/1074293627.db2.gz OKXSGFCQDRILMS-UHFFFAOYSA-N 0 3 431.584 -0.584 20 0 IBADHN CNc1nc(N2CC[C@@H](CS(C)(=O)=O)C2)nc(N2CC[C@H](CS(C)(=O)=O)C2)n1 ZINC001330157460 1074295186 /nfs/dbraw/zinc/29/51/86/1074295186.db2.gz PWUHPMDDAKHJEN-BETUJISGSA-N 0 3 432.572 -0.923 20 0 IBADHN Cn1c2ccc(NC(=O)CCC(=O)N3CC(CN4CCN(C)CC4)C3)nc2n(C)c1=O ZINC001330424974 1074296123 /nfs/dbraw/zinc/29/61/23/1074296123.db2.gz SBYJQFCJWRYJAD-UHFFFAOYSA-N 0 3 429.525 -0.304 20 0 IBADHN Cn1cc([C@@H]2CN(C)CC[C@H]2C(=O)N2CCN(S(=O)(=O)N=S(C)(C)=O)CC2)cn1 ZINC001333166700 1074299813 /nfs/dbraw/zinc/29/98/13/1074299813.db2.gz LZAWJLKTHUZIMG-CVEARBPZSA-N 0 3 446.599 -0.428 20 0 IBADHN Cn1cc([C@@H]2CN(C)CC[C@@H]2C(=O)N2CCN(S(=O)(=O)N=S(C)(C)=O)CC2)cn1 ZINC001333166701 1074299848 /nfs/dbraw/zinc/29/98/48/1074299848.db2.gz LZAWJLKTHUZIMG-HOTGVXAUSA-N 0 3 446.599 -0.428 20 0 IBADHN Cn1cc([C@H]2CN(C)CC[C@H]2C(=O)N2CCN(S(=O)(=O)N=S(C)(C)=O)CC2)cn1 ZINC001333166702 1074299621 /nfs/dbraw/zinc/29/96/21/1074299621.db2.gz LZAWJLKTHUZIMG-HZPDHXFCSA-N 0 3 446.599 -0.428 20 0 IBADHN Cn1cc([C@H]2CN(C)CC[C@@H]2C(=O)N2CCN(S(=O)(=O)N=S(C)(C)=O)CC2)cn1 ZINC001333166703 1074299761 /nfs/dbraw/zinc/29/97/61/1074299761.db2.gz LZAWJLKTHUZIMG-JKSUJKDBSA-N 0 3 446.599 -0.428 20 0 IBADHN COc1ccc(NC(=O)CNC2(CO)CCOCC2)cc1S(=O)(=O)N1CCOCC1 ZINC001334359735 1074301574 /nfs/dbraw/zinc/30/15/74/1074301574.db2.gz UPODMSKWWBGAJN-UHFFFAOYSA-N 0 3 443.522 -0.214 20 0 IBADHN CN1CCN(CCNC(=O)Cc2ccc(CC(=O)NCCN3CCN(C)CC3)cc2)CC1 ZINC001337969731 1074308996 /nfs/dbraw/zinc/30/89/96/1074308996.db2.gz VAHIOADBXMIKMZ-UHFFFAOYSA-N 0 3 444.624 -0.501 20 0 IBADHN CN1CCN(C)[C@H](CNC(=O)Cc2ccc(CC(=O)NC[C@@H]3CN(C)CCN3C)cc2)C1 ZINC001337973268 1074308795 /nfs/dbraw/zinc/30/87/95/1074308795.db2.gz BAYYCGMTHVMIML-FGZHOGPDSA-N 0 3 444.624 -0.504 20 0 IBADHN CN1CCN(C)[C@H](CNC(=O)Cc2ccc(CC(=O)NC[C@H]3CN(C)CCN3C)cc2)C1 ZINC001337973274 1074309082 /nfs/dbraw/zinc/30/90/82/1074309082.db2.gz BAYYCGMTHVMIML-SZPZYZBQSA-N 0 3 444.624 -0.504 20 0 IBADHN CN1CCN(C)[C@@H](CNC(=O)Cc2ccc(CC(=O)NC[C@H]3CN(C)CCN3C)cc2)C1 ZINC001337973278 1074308946 /nfs/dbraw/zinc/30/89/46/1074308946.db2.gz BAYYCGMTHVMIML-VXKWHMMOSA-N 0 3 444.624 -0.504 20 0 IBADHN NC(=O)[C@H]1CCCN1C1CCN(C(=O)Cn2cc(Br)c(=O)[nH]c2=O)CC1 ZINC001338348818 1074310278 /nfs/dbraw/zinc/31/02/78/1074310278.db2.gz UZMNUUPPHZZGKF-GFCCVEGCSA-N 0 3 428.287 -0.348 20 0 IBADHN NC(=O)[C@@H]1CCCN1C1CCN(C(=O)Cn2cc(Br)c(=O)[nH]c2=O)CC1 ZINC001338348844 1074310258 /nfs/dbraw/zinc/31/02/58/1074310258.db2.gz UZMNUUPPHZZGKF-LBPRGKRZSA-N 0 3 428.287 -0.348 20 0 IBADHN CN1CCN(Cc2cccc(CNC(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)c2)CC1 ZINC001338464873 1074310655 /nfs/dbraw/zinc/31/06/55/1074310655.db2.gz DTQDLYRTVVSWIW-UHFFFAOYSA-N 0 3 439.520 -0.503 20 0 IBADHN O=C(CN1CCCC1)N1CCN(C(=O)C2CCN(c3ccc4nnnn4n3)CC2)CC1 ZINC001338518085 1074310788 /nfs/dbraw/zinc/31/07/88/1074310788.db2.gz JVWROOIHNFIGCU-UHFFFAOYSA-N 0 3 427.513 -0.498 20 0 IBADHN Cn1cc(S(=O)(=O)N2CCC(NC(=O)NCCCCN3CCN(C)CC3)CC2)cn1 ZINC001339433128 1074315395 /nfs/dbraw/zinc/31/53/95/1074315395.db2.gz RRTQVWBYMJAXFC-UHFFFAOYSA-N 0 3 441.602 -0.100 20 0 IBADHN CN(CC(=O)NCCc1ccc(S(N)(=O)=O)cc1)C1CCN(S(C)(=O)=O)CC1 ZINC001340897727 1074319181 /nfs/dbraw/zinc/31/91/81/1074319181.db2.gz HYOTXMMIEWXNAJ-UHFFFAOYSA-N 0 3 432.568 -0.652 20 0 IBADHN COC(=O)C1CCN(CCCNC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)CC1 ZINC001341343950 1074320676 /nfs/dbraw/zinc/32/06/76/1074320676.db2.gz YTOOILPBZGLWAQ-HNNXBMFYSA-N 0 3 442.538 -0.457 20 0 IBADHN COC(=O)C1CCN(CCCNC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)CC1 ZINC001341343954 1074320848 /nfs/dbraw/zinc/32/08/48/1074320848.db2.gz YTOOILPBZGLWAQ-OAHLLOKOSA-N 0 3 442.538 -0.457 20 0 IBADHN CNc1nc(N2CCS(=O)(=O)C[C@H](C)C2)nc(N2CCS(=O)(=O)C[C@@H](C)C2)n1 ZINC001343722387 1074325692 /nfs/dbraw/zinc/32/56/92/1074325692.db2.gz LAOLNKVIVMOUBY-BETUJISGSA-N 0 3 432.572 -0.923 20 0 IBADHN CNc1nc(N2CCS(=O)(=O)C[C@H](C)C2)nc(N2CCS(=O)(=O)C[C@H](C)C2)n1 ZINC001343722388 1074325500 /nfs/dbraw/zinc/32/55/00/1074325500.db2.gz LAOLNKVIVMOUBY-CHWSQXEVSA-N 0 3 432.572 -0.923 20 0 IBADHN CNc1nc(N2CCS(=O)(=O)C[C@@H](C)C2)nc(N2CCS(=O)(=O)C[C@@H](C)C2)n1 ZINC001343722389 1074325727 /nfs/dbraw/zinc/32/57/27/1074325727.db2.gz LAOLNKVIVMOUBY-STQMWFEESA-N 0 3 432.572 -0.923 20 0 IBADHN CN(CCO)S(=O)(=O)c1ccc(C(=O)N2CCC(N3CCC[C@@H]3C(N)=O)CC2)cc1 ZINC001344522711 1074327954 /nfs/dbraw/zinc/32/79/54/1074327954.db2.gz CLTCYUBVFQLNAN-GOSISDBHSA-N 0 3 438.550 -0.146 20 0 IBADHN CN(CCO)S(=O)(=O)c1ccc(C(=O)N2CCC(N3CCC[C@H]3C(N)=O)CC2)cc1 ZINC001344522712 1074327936 /nfs/dbraw/zinc/32/79/36/1074327936.db2.gz CLTCYUBVFQLNAN-SFHVURJKSA-N 0 3 438.550 -0.146 20 0 IBADHN CN1CCN(CC2CN(C(=O)c3ccc(S(=O)(=O)N4CCNC(=O)C4)cc3)C2)CC1 ZINC001347709504 1074331972 /nfs/dbraw/zinc/33/19/72/1074331972.db2.gz NFGVGAKVJYSUGI-UHFFFAOYSA-N 0 3 435.550 -0.874 20 0 IBADHN Cn1cc([C@H]2CN(C)CC[C@@H]2C(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)cn1 ZINC001350016813 1074333177 /nfs/dbraw/zinc/33/31/77/1074333177.db2.gz DOXGNYZJBJPBKH-DLBZAZTESA-N 0 3 430.509 -0.725 20 0 IBADHN Cn1cc([C@H]2CN(C)CC[C@H]2C(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)cn1 ZINC001350016869 1074333415 /nfs/dbraw/zinc/33/34/15/1074333415.db2.gz DOXGNYZJBJPBKH-IAGOWNOFSA-N 0 3 430.509 -0.725 20 0 IBADHN Cn1cc([C@@H]2CN(C)CC[C@@H]2C(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)cn1 ZINC001350016870 1074333394 /nfs/dbraw/zinc/33/33/94/1074333394.db2.gz DOXGNYZJBJPBKH-IRXDYDNUSA-N 0 3 430.509 -0.725 20 0 IBADHN Cn1cc([C@@H]2CN(C)CC[C@H]2C(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)cn1 ZINC001350016871 1074333440 /nfs/dbraw/zinc/33/34/40/1074333440.db2.gz DOXGNYZJBJPBKH-SJORKVTESA-N 0 3 430.509 -0.725 20 0 IBADHN CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)[C@@H]1CCN(C)C[C@@H]1c1cnn(C)c1 ZINC001351619469 1074334286 /nfs/dbraw/zinc/33/42/86/1074334286.db2.gz CUMDKEOYMBRSJT-BRWVUGGUSA-N 0 3 425.555 -0.393 20 0 IBADHN CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)[C@H]1CCN(C)C[C@H]1c1cnn(C)c1 ZINC001351619470 1074334423 /nfs/dbraw/zinc/33/44/23/1074334423.db2.gz CUMDKEOYMBRSJT-IKGGRYGDSA-N 0 3 425.555 -0.393 20 0 IBADHN CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)[C@H]1CCN(C)C[C@@H]1c1cnn(C)c1 ZINC001351619472 1074334263 /nfs/dbraw/zinc/33/42/63/1074334263.db2.gz CUMDKEOYMBRSJT-IXDOHACOSA-N 0 3 425.555 -0.393 20 0 IBADHN CCN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)[C@@H]1CCN(C)C[C@H]1c1cnn(C)c1 ZINC001351619473 1074334494 /nfs/dbraw/zinc/33/44/94/1074334494.db2.gz CUMDKEOYMBRSJT-ZACQAIPSSA-N 0 3 425.555 -0.393 20 0 IBADHN CC(=O)NCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001359458265 1074377649 /nfs/dbraw/zinc/37/76/49/1074377649.db2.gz IMDNJCDMGIWGRR-KRWDZBQOSA-N 0 3 446.556 -0.500 20 0 IBADHN CC(=O)NCCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001359458266 1074377770 /nfs/dbraw/zinc/37/77/70/1074377770.db2.gz IMDNJCDMGIWGRR-QGZVFWFLSA-N 0 3 446.556 -0.500 20 0 IBADHN CC(C)c1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1CCNS(C)(=O)=O ZINC001359713988 1074380507 /nfs/dbraw/zinc/38/05/07/1074380507.db2.gz GJDQKMCGYNKSAO-UHFFFAOYSA-N 0 3 427.575 -0.305 20 0 IBADHN CC(C)NC(=O)c1nnc(N2CC[C@@]3(CNC(=O)C3)C2)n1C[C@@H]1CCCN1CCCO ZINC001360214722 1074384373 /nfs/dbraw/zinc/38/43/73/1074384373.db2.gz AUMTZGNUEBQHFN-HRAATJIYSA-N 0 3 433.557 -0.021 20 0 IBADHN CC(C)NC(=O)c1nnc(N2CC[C@]3(CNC(=O)C3)C2)n1C[C@H]1CCCN1CCCO ZINC001360214723 1074384493 /nfs/dbraw/zinc/38/44/93/1074384493.db2.gz AUMTZGNUEBQHFN-IERDGZPVSA-N 0 3 433.557 -0.021 20 0 IBADHN CC(C)NC(=O)c1nnc(N2CC[C@@]3(CNC(=O)C3)C2)n1C[C@H]1CCCN1CCCO ZINC001360214724 1074384468 /nfs/dbraw/zinc/38/44/68/1074384468.db2.gz AUMTZGNUEBQHFN-IIBYNOLFSA-N 0 3 433.557 -0.021 20 0 IBADHN CC(C)NC(=O)c1nnc(N2CC[C@]3(CNC(=O)C3)C2)n1C[C@@H]1CCCN1CCCO ZINC001360214725 1074384338 /nfs/dbraw/zinc/38/43/38/1074384338.db2.gz AUMTZGNUEBQHFN-KKSFZXQISA-N 0 3 433.557 -0.021 20 0 IBADHN CC(C)NC(=O)c1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1Cc1ncn(C)n1 ZINC001360233835 1074385299 /nfs/dbraw/zinc/38/52/99/1074385299.db2.gz OYZDDVDXNIOBLV-HNNXBMFYSA-N 0 3 444.544 -0.664 20 0 IBADHN CC(C)NC(=O)c1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1Cc1ncn(C)n1 ZINC001360233836 1074385405 /nfs/dbraw/zinc/38/54/05/1074385405.db2.gz OYZDDVDXNIOBLV-OAHLLOKOSA-N 0 3 444.544 -0.664 20 0 IBADHN CC(C)NC(=O)c1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1CCC(=O)N(C)C ZINC001360234105 1074385361 /nfs/dbraw/zinc/38/53/61/1074385361.db2.gz SZYZYLILZMRGTO-INIZCTEOSA-N 0 3 448.572 -0.363 20 0 IBADHN CC(C)NC(=O)c1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1CCC(=O)N(C)C ZINC001360234106 1074385478 /nfs/dbraw/zinc/38/54/78/1074385478.db2.gz SZYZYLILZMRGTO-MRXNPFEDSA-N 0 3 448.572 -0.363 20 0 IBADHN CC(C)NC(=O)c1nnc(N2CCN3C(=O)NC[C@H]3C2)n1CCN1CCN(C)C(C)(C)C1 ZINC001360244982 1074385933 /nfs/dbraw/zinc/38/59/33/1074385933.db2.gz DAHNYEMVBHBGDB-INIZCTEOSA-N 0 3 447.588 -0.344 20 0 IBADHN CC(C)NC(=O)c1nnc(N2CCN3C(=O)NC[C@@H]3C2)n1CCN1CCN(C)C(C)(C)C1 ZINC001360244985 1074386322 /nfs/dbraw/zinc/38/63/22/1074386322.db2.gz DAHNYEMVBHBGDB-MRXNPFEDSA-N 0 3 447.588 -0.344 20 0 IBADHN CC(C)NC(=O)c1nnc(N2CCN(S(C)(=O)=O)CC2)n1CCN1CCC[C@@H]1C ZINC001360245173 1074386288 /nfs/dbraw/zinc/38/62/88/1074386288.db2.gz GIKWGAYSTKTKME-HNNXBMFYSA-N 0 3 427.575 -0.018 20 0 IBADHN CC(C)NC(=O)c1nnc(N2CCN(S(C)(=O)=O)CC2)n1CCN1CCC[C@H]1C ZINC001360245175 1074386299 /nfs/dbraw/zinc/38/62/99/1074386299.db2.gz GIKWGAYSTKTKME-OAHLLOKOSA-N 0 3 427.575 -0.018 20 0 IBADHN CC(C)NC(=O)c1nnc(N2CCN3C(=O)C(=O)NC[C@H]3C2)n1CCN1CCCCC1 ZINC001360245692 1074386354 /nfs/dbraw/zinc/38/63/54/1074386354.db2.gz MAPSEHVWVAGNSN-HNNXBMFYSA-N 0 3 432.529 -0.951 20 0 IBADHN CC(C)NC(=O)c1nnc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)n1CCN1CCCCC1 ZINC001360245697 1074386261 /nfs/dbraw/zinc/38/62/61/1074386261.db2.gz MAPSEHVWVAGNSN-OAHLLOKOSA-N 0 3 432.529 -0.951 20 0 IBADHN CC(C)NC(=O)c1nnc(N2CCNC(=O)C2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001360248901 1074386762 /nfs/dbraw/zinc/38/67/62/1074386762.db2.gz XHCACILASQYTGO-HNNXBMFYSA-N 0 3 434.545 -0.705 20 0 IBADHN CC(C)NC(=O)c1nnc(N2CCNC(=O)C2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001360248903 1074386632 /nfs/dbraw/zinc/38/66/32/1074386632.db2.gz XHCACILASQYTGO-OAHLLOKOSA-N 0 3 434.545 -0.705 20 0 IBADHN CC(C)NC(=O)c1nnc(N2C[C@H]3OCO[C@H]3C2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001360258649 1074387107 /nfs/dbraw/zinc/38/71/07/1074387107.db2.gz YVDRLZBMEARWNL-YESZJQIVSA-N 0 3 449.556 -0.080 20 0 IBADHN CC(C)NC(=O)c1nnc(N2C[C@H]3OCO[C@H]3C2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001360258650 1074387231 /nfs/dbraw/zinc/38/72/31/1074387231.db2.gz YVDRLZBMEARWNL-ZACQAIPSSA-N 0 3 449.556 -0.080 20 0 IBADHN C[C@@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS(=O)CC1)N(C)C ZINC001360567982 1074391423 /nfs/dbraw/zinc/39/14/23/1074391423.db2.gz AQIVRXHBVBNJDQ-KBPBESRZSA-N 0 3 434.588 -0.870 20 0 IBADHN C[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS(=O)CC1)N(C)C ZINC001360567983 1074391531 /nfs/dbraw/zinc/39/15/31/1074391531.db2.gz AQIVRXHBVBNJDQ-KGLIPLIRSA-N 0 3 434.588 -0.870 20 0 IBADHN C[C@@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS(=O)CC1)N(C)C ZINC001360567984 1074391371 /nfs/dbraw/zinc/39/13/71/1074391371.db2.gz AQIVRXHBVBNJDQ-UONOGXRCSA-N 0 3 434.588 -0.870 20 0 IBADHN C[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCS(=O)CC1)N(C)C ZINC001360567985 1074391626 /nfs/dbraw/zinc/39/16/26/1074391626.db2.gz AQIVRXHBVBNJDQ-ZIAGYGMSSA-N 0 3 434.588 -0.870 20 0 IBADHN C[C@H](CN1CCCC1)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCS(=O)(=O)CC1 ZINC001360591318 1074391613 /nfs/dbraw/zinc/39/16/13/1074391613.db2.gz ARQJFTMRNFHBEN-CABCVRRESA-N 0 3 448.615 -0.145 20 0 IBADHN C[C@@H](CN1CCCC1)Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCS(=O)(=O)CC1 ZINC001360591319 1074391405 /nfs/dbraw/zinc/39/14/05/1074391405.db2.gz ARQJFTMRNFHBEN-GJZGRUSLSA-N 0 3 448.615 -0.145 20 0 IBADHN C[C@H](CN1CCCC1)Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCS(=O)(=O)CC1 ZINC001360591320 1074391574 /nfs/dbraw/zinc/39/15/74/1074391574.db2.gz ARQJFTMRNFHBEN-HUUCEWRRSA-N 0 3 448.615 -0.145 20 0 IBADHN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCS(=O)(=O)CC2)n1C[C@@H](C)CN1CCCC1 ZINC001360591321 1074391494 /nfs/dbraw/zinc/39/14/94/1074391494.db2.gz ARQJFTMRNFHBEN-LSDHHAIUSA-N 0 3 448.615 -0.145 20 0 IBADHN C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C(C)(C)C)CC2)n1Cc1cnnn1C ZINC001360702546 1074397626 /nfs/dbraw/zinc/39/76/26/1074397626.db2.gz HBDWZGXBLFDRSO-CYBMUJFWSA-N 0 3 425.563 -0.014 20 0 IBADHN C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C(C)(C)C)CC2)n1Cc1cnnn1C ZINC001360702547 1074397678 /nfs/dbraw/zinc/39/76/78/1074397678.db2.gz HBDWZGXBLFDRSO-ZDUSSCGKSA-N 0 3 425.563 -0.014 20 0 IBADHN CCN1C(=O)CO[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)N3CC(=O)N(C)C)[C@H]1c1nccn1C ZINC001436184058 1074414003 /nfs/dbraw/zinc/41/40/03/1074414003.db2.gz GKZXWDRJCSURKI-OUQUZMNPSA-N 0 3 446.552 -0.092 20 0 IBADHN COc1ccccc1[C@]1(C)NC(=O)N(CC(=O)N2CCN(CCN(C)C)C(=O)C2)C1=O ZINC001437345658 1074415286 /nfs/dbraw/zinc/41/52/86/1074415286.db2.gz GSLGVYNORRSXHC-NRFANRHFSA-N 0 3 431.493 -0.305 20 0 IBADHN COc1ccccc1[C@@]1(C)NC(=O)N(CC(=O)N2CCN(CCN(C)C)C(=O)C2)C1=O ZINC001437345660 1074415153 /nfs/dbraw/zinc/41/51/53/1074415153.db2.gz GSLGVYNORRSXHC-OAQYLSRUSA-N 0 3 431.493 -0.305 20 0 IBADHN COc1ccc([C@]2(C)NC(=O)N(CC(=O)N(CCN(C)C)CC(=O)N(C)C)C2=O)cc1 ZINC001437556760 1074415998 /nfs/dbraw/zinc/41/59/98/1074415998.db2.gz DGZPAXUMLMHAEM-NRFANRHFSA-N 0 3 433.509 -0.059 20 0 IBADHN COc1ccc([C@@]2(C)NC(=O)N(CC(=O)N(CCN(C)C)CC(=O)N(C)C)C2=O)cc1 ZINC001437556762 1074415956 /nfs/dbraw/zinc/41/59/56/1074415956.db2.gz DGZPAXUMLMHAEM-OAQYLSRUSA-N 0 3 433.509 -0.059 20 0 IBADHN COCCN1C(=O)c2ccc(C(=O)N(CCN(C)C)CC(=O)N(C)C)cc2S1(=O)=O ZINC001437568604 1074415992 /nfs/dbraw/zinc/41/59/92/1074415992.db2.gz UJLHNGIUBDTURP-UHFFFAOYSA-N 0 3 440.522 -0.431 20 0 IBADHN COC[C@]1(CN(C)C)COCCN1C(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O ZINC001438815089 1074419077 /nfs/dbraw/zinc/41/90/77/1074419077.db2.gz CNRKBPYWCHFGSL-JOCHJYFZSA-N 0 3 430.505 -0.136 20 0 IBADHN COC[C@@]1(CN(C)C)COCCN1C(=O)Cn1c(=O)ccn(Cc2ccccc2)c1=O ZINC001438815090 1074418947 /nfs/dbraw/zinc/41/89/47/1074418947.db2.gz CNRKBPYWCHFGSL-QFIPXVFZSA-N 0 3 430.505 -0.136 20 0 IBADHN COC[C@]1(CN(C)C)COCCN1C(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1 ZINC001438816388 1074418876 /nfs/dbraw/zinc/41/88/76/1074418876.db2.gz FCCKCJFGUWOVSO-GOSISDBHSA-N 0 3 431.511 -0.280 20 0 IBADHN COC[C@@]1(CN(C)C)COCCN1C(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1 ZINC001438816390 1074418844 /nfs/dbraw/zinc/41/88/44/1074418844.db2.gz FCCKCJFGUWOVSO-SFHVURJKSA-N 0 3 431.511 -0.280 20 0 IBADHN Cc1cc(C(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)nc2c1c(=O)n(C)c(=O)n2C ZINC001438891451 1074418916 /nfs/dbraw/zinc/41/89/16/1074418916.db2.gz XRHMYVUNUGBQJG-UHFFFAOYSA-N 0 3 442.520 -0.113 20 0 IBADHN C[C@H](O)[C@H](NS(=O)(=O)c1cccs1)C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC001442976359 1074430733 /nfs/dbraw/zinc/43/07/33/1074430733.db2.gz UDWXSYJKVHGHTO-DZKIICNBSA-N 0 3 446.595 -0.165 20 0 IBADHN C[C@H](O)[C@H](NS(=O)(=O)c1cccs1)C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC001442976365 1074430821 /nfs/dbraw/zinc/43/08/21/1074430821.db2.gz UDWXSYJKVHGHTO-LZWOXQAQSA-N 0 3 446.595 -0.165 20 0 IBADHN C[C@H](O)[C@@H](NS(=O)(=O)c1cccs1)C(=O)NCCCN1CCC[C@H]1C(=O)N(C)C ZINC001442976371 1074430858 /nfs/dbraw/zinc/43/08/58/1074430858.db2.gz UDWXSYJKVHGHTO-OFQRWUPVSA-N 0 3 446.595 -0.165 20 0 IBADHN C[C@H](O)[C@@H](NS(=O)(=O)c1cccs1)C(=O)NCCCN1CCC[C@@H]1C(=O)N(C)C ZINC001442976376 1074430714 /nfs/dbraw/zinc/43/07/14/1074430714.db2.gz UDWXSYJKVHGHTO-SQWLQELKSA-N 0 3 446.595 -0.165 20 0 IBADHN Cn1cc([C@@H]2[C@@H](C(=O)NCc3cccc(CN4CCN(C)CC4)c3)[C@@H](O)C(=O)N2C)cn1 ZINC001443150721 1074431294 /nfs/dbraw/zinc/43/12/94/1074431294.db2.gz GIOZLGBIDMSCRH-NJDAHSKKSA-N 0 3 440.548 -0.026 20 0 IBADHN NC(=O)C[C@@H](NC(=O)Cc1cccc(F)c1)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC001443222064 1074431855 /nfs/dbraw/zinc/43/18/55/1074431855.db2.gz AMQOHWFKUXLSKK-GOSISDBHSA-N 0 3 447.511 -0.505 20 0 IBADHN NC(=O)C[C@H](NC(=O)Cc1cccc(F)c1)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC001443222065 1074431919 /nfs/dbraw/zinc/43/19/19/1074431919.db2.gz AMQOHWFKUXLSKK-SFHVURJKSA-N 0 3 447.511 -0.505 20 0 IBADHN CCN1CCN(CCNC(=O)CNS(=O)(=O)c2cccc(S(C)(=O)=O)c2)CC1 ZINC001443501588 1074434156 /nfs/dbraw/zinc/43/41/56/1074434156.db2.gz WCMRSUMJMLGBGR-UHFFFAOYSA-N 0 3 432.568 -0.878 20 0 IBADHN CCN(CC)CC(=O)N1CCN(C(=O)[C@H]2CC(=O)N(c3cnn(CCOC)c3)C2)CC1 ZINC001443586398 1074434369 /nfs/dbraw/zinc/43/43/69/1074434369.db2.gz QUVWYJBXAIRCRH-KRWDZBQOSA-N 0 3 434.541 -0.105 20 0 IBADHN CCN(CC)CC(=O)N1CCN(C(=O)[C@@H]2CC(=O)N(c3cnn(CCOC)c3)C2)CC1 ZINC001443586402 1074434419 /nfs/dbraw/zinc/43/44/19/1074434419.db2.gz QUVWYJBXAIRCRH-QGZVFWFLSA-N 0 3 434.541 -0.105 20 0 IBADHN C[C@@H](NC(=O)Cn1cnnn1)C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCCN(C)C2)cc1 ZINC001444210430 1074436294 /nfs/dbraw/zinc/43/62/94/1074436294.db2.gz PHWFINKVPTUUKX-PBHICJAKSA-N 0 3 428.497 -0.017 20 0 IBADHN C[C@@H](NC(=O)Cn1cnnn1)C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCCN(C)C2)cc1 ZINC001444210434 1074436378 /nfs/dbraw/zinc/43/63/78/1074436378.db2.gz PHWFINKVPTUUKX-RHSMWYFYSA-N 0 3 428.497 -0.017 20 0 IBADHN C[C@H](O)[C@H](NS(=O)(=O)c1cccs1)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001446553639 1074442573 /nfs/dbraw/zinc/44/25/73/1074442573.db2.gz JWRMMJREGUPRHL-DZKIICNBSA-N 0 3 444.579 -0.459 20 0 IBADHN C[C@H](O)[C@H](NS(=O)(=O)c1cccs1)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001446553650 1074442780 /nfs/dbraw/zinc/44/27/80/1074442780.db2.gz JWRMMJREGUPRHL-LZWOXQAQSA-N 0 3 444.579 -0.459 20 0 IBADHN C[C@H](O)[C@@H](NS(=O)(=O)c1cccs1)C(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001446553655 1074442764 /nfs/dbraw/zinc/44/27/64/1074442764.db2.gz JWRMMJREGUPRHL-OFQRWUPVSA-N 0 3 444.579 -0.459 20 0 IBADHN C[C@H](O)[C@@H](NS(=O)(=O)c1cccs1)C(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001446553659 1074442747 /nfs/dbraw/zinc/44/27/47/1074442747.db2.gz JWRMMJREGUPRHL-SQWLQELKSA-N 0 3 444.579 -0.459 20 0 IBADHN C[C@@H](O)CNS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)cc1 ZINC001446556333 1074442714 /nfs/dbraw/zinc/44/27/14/1074442714.db2.gz PSWBKDXZXBHVJE-CRAIPNDOSA-N 0 3 438.550 -0.276 20 0 IBADHN C[C@H](O)CNS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)[C@H]3CCCN3C)CC2)cc1 ZINC001446556337 1074442838 /nfs/dbraw/zinc/44/28/38/1074442838.db2.gz PSWBKDXZXBHVJE-MAUKXSAKSA-N 0 3 438.550 -0.276 20 0 IBADHN C[C@@H](O)CNS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)cc1 ZINC001446556342 1074442606 /nfs/dbraw/zinc/44/26/06/1074442606.db2.gz PSWBKDXZXBHVJE-QAPCUYQASA-N 0 3 438.550 -0.276 20 0 IBADHN C[C@H](O)CNS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)[C@@H]3CCCN3C)CC2)cc1 ZINC001446556347 1074442814 /nfs/dbraw/zinc/44/28/14/1074442814.db2.gz PSWBKDXZXBHVJE-YJBOKZPZSA-N 0 3 438.550 -0.276 20 0 IBADHN CC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)N[C@H](CO)CN(C)C)ccc2F)CC1 ZINC001449063148 1074449384 /nfs/dbraw/zinc/44/93/84/1074449384.db2.gz RERFRMJJMBYTJQ-HNNXBMFYSA-N 0 3 430.502 -0.669 20 0 IBADHN CC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)N[C@@H](CO)CN(C)C)ccc2F)CC1 ZINC001449063151 1074449392 /nfs/dbraw/zinc/44/93/92/1074449392.db2.gz RERFRMJJMBYTJQ-OAHLLOKOSA-N 0 3 430.502 -0.669 20 0 IBADHN O=C(Cc1ccc(S(=O)(=O)N2CCOCC2)s1)N1CC[C@@H](N2CC[C@H](O)C2)C1 ZINC001449081975 1074449441 /nfs/dbraw/zinc/44/94/41/1074449441.db2.gz KBTNCUPSLOKFLK-CABCVRRESA-N 0 3 429.564 -0.021 20 0 IBADHN O=C(Cc1ccc(S(=O)(=O)N2CCOCC2)s1)N1CC[C@H](N2CC[C@H](O)C2)C1 ZINC001449081979 1074449316 /nfs/dbraw/zinc/44/93/16/1074449316.db2.gz KBTNCUPSLOKFLK-GJZGRUSLSA-N 0 3 429.564 -0.021 20 0 IBADHN O=C(Cc1ccc(S(=O)(=O)N2CCOCC2)s1)N1CC[C@@H](N2CC[C@@H](O)C2)C1 ZINC001449081985 1074450016 /nfs/dbraw/zinc/45/00/16/1074450016.db2.gz KBTNCUPSLOKFLK-HUUCEWRRSA-N 0 3 429.564 -0.021 20 0 IBADHN O=C(Cc1ccc(S(=O)(=O)N2CCOCC2)s1)N1CC[C@H](N2CC[C@@H](O)C2)C1 ZINC001449081989 1074449983 /nfs/dbraw/zinc/44/99/83/1074449983.db2.gz KBTNCUPSLOKFLK-LSDHHAIUSA-N 0 3 429.564 -0.021 20 0 IBADHN COc1c(F)cc(CC(=O)NCC(=O)NCCN2CCCCC2)cc1S(N)(=O)=O ZINC001449516424 1074451848 /nfs/dbraw/zinc/45/18/48/1074451848.db2.gz CRHNSGQAGZWBRB-UHFFFAOYSA-N 0 3 430.502 -0.258 20 0 IBADHN C[C@H](O)CNS(=O)(=O)c1ccc(C(=O)NCC(=O)NCCN2CCCCC2)cc1 ZINC001449537344 1074452535 /nfs/dbraw/zinc/45/25/35/1074452535.db2.gz ZIXOECJKSQOLBR-HNNXBMFYSA-N 0 3 426.539 -0.322 20 0 IBADHN C[C@@H](O)CNS(=O)(=O)c1ccc(C(=O)NCC(=O)NCCN2CCCCC2)cc1 ZINC001449537348 1074452521 /nfs/dbraw/zinc/45/25/21/1074452521.db2.gz ZIXOECJKSQOLBR-OAHLLOKOSA-N 0 3 426.539 -0.322 20 0 IBADHN CCCn1c(N)c(N(CCOC)C(=O)CCC(=O)N2CCN3CC[C@H]2C3)c(=O)[nH]c1=O ZINC001449812531 1074453039 /nfs/dbraw/zinc/45/30/39/1074453039.db2.gz DICNODDTXPEKGN-AWEZNQCLSA-N 0 3 436.513 -0.383 20 0 IBADHN O=C(NC[C@@H]1CCCCN1CCO)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1 ZINC001450018519 1074453560 /nfs/dbraw/zinc/45/35/60/1074453560.db2.gz DKHVBIKOVRPXDX-JZXOWHBKSA-N 0 3 429.514 -0.087 20 0 IBADHN O=C(NC[C@H]1CCCCN1CCO)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1 ZINC001450018521 1074453730 /nfs/dbraw/zinc/45/37/30/1074453730.db2.gz DKHVBIKOVRPXDX-NUJGCVRESA-N 0 3 429.514 -0.087 20 0 IBADHN Cn1cc([C@@H]2[C@@H](C(=O)NC[C@@H](O)CN3CCc4ccccc4C3)[C@@H](O)C(=O)N2C)cn1 ZINC001450065039 1074453657 /nfs/dbraw/zinc/45/36/57/1074453657.db2.gz PIJJDGGZELXONH-UAFMIMERSA-N 0 3 427.505 -0.554 20 0 IBADHN Cc1nc(S(=O)(=O)N2CCC(C(=O)N3CC(CN4CCN(C)CC4)C3)CC2)cn1C ZINC001450179278 1074453601 /nfs/dbraw/zinc/45/36/01/1074453601.db2.gz GRNRPCONFVPQTE-UHFFFAOYSA-N 0 3 438.598 -0.165 20 0 IBADHN CC(C)C[C@H](NC(=O)C(=O)c1cc(S(N)(=O)=O)cn1C)C(=O)N1CC[C@@H](N(C)C)C1 ZINC001450490878 1074454220 /nfs/dbraw/zinc/45/42/20/1074454220.db2.gz RVUMWQFTRFQVAO-HIFRSBDPSA-N 0 3 441.554 -0.451 20 0 IBADHN CC(C)C[C@H](NC(=O)C(=O)c1cc(S(N)(=O)=O)cn1C)C(=O)N1CC[C@H](N(C)C)C1 ZINC001450490887 1074454971 /nfs/dbraw/zinc/45/49/71/1074454971.db2.gz RVUMWQFTRFQVAO-ZFWWWQNUSA-N 0 3 441.554 -0.451 20 0 IBADHN CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)N[C@@H](CO)CN3CCCC3)c2)CC1 ZINC001450606215 1074454999 /nfs/dbraw/zinc/45/49/99/1074454999.db2.gz AGOIREMCAQZLIR-GOSISDBHSA-N 0 3 438.550 -0.274 20 0 IBADHN CC(=O)N1CCN(S(=O)(=O)c2cccc(C(=O)N[C@H](CO)CN3CCCC3)c2)CC1 ZINC001450606222 1074454954 /nfs/dbraw/zinc/45/49/54/1074454954.db2.gz AGOIREMCAQZLIR-SFHVURJKSA-N 0 3 438.550 -0.274 20 0 IBADHN COCCN(C)CCN1C[C@@H](NC(=O)c2ccc(N3NC(=O)CCC3=O)cc2)CC1=O ZINC001450719497 1074454809 /nfs/dbraw/zinc/45/48/09/1074454809.db2.gz CEMBENLCHOWJTN-INIZCTEOSA-N 0 3 431.493 -0.247 20 0 IBADHN COCCN(C)CCN1C[C@H](NC(=O)c2ccc(N3NC(=O)CCC3=O)cc2)CC1=O ZINC001450719503 1074454878 /nfs/dbraw/zinc/45/48/78/1074454878.db2.gz CEMBENLCHOWJTN-MRXNPFEDSA-N 0 3 431.493 -0.247 20 0 IBADHN COCCN(C)CCN1C[C@H](NC(=O)C[C@@H]2NC(=O)c3ccccc3NC2=O)CC1=O ZINC001450723560 1074454792 /nfs/dbraw/zinc/45/47/92/1074454792.db2.gz ORYOLRBTDSIDRC-PBHICJAKSA-N 0 3 431.493 -0.578 20 0 IBADHN COCCN(C)CCN1C[C@@H](NC(=O)C[C@@H]2NC(=O)c3ccccc3NC2=O)CC1=O ZINC001450723563 1074455641 /nfs/dbraw/zinc/45/56/41/1074455641.db2.gz ORYOLRBTDSIDRC-YOEHRIQHSA-N 0 3 431.493 -0.578 20 0 IBADHN COCCN(C)CCN1C[C@@H](NC(=O)c2ccc(F)c(S(=O)(=O)N(C)C)c2)CC1=O ZINC001450725331 1074455499 /nfs/dbraw/zinc/45/54/99/1074455499.db2.gz VWOAJYAHBDJNGE-HNNXBMFYSA-N 0 3 444.529 -0.015 20 0 IBADHN COCCN(C)CCN1C[C@H](NC(=O)c2ccc(F)c(S(=O)(=O)N(C)C)c2)CC1=O ZINC001450725335 1074455612 /nfs/dbraw/zinc/45/56/12/1074455612.db2.gz VWOAJYAHBDJNGE-OAHLLOKOSA-N 0 3 444.529 -0.015 20 0 IBADHN COCCN(C)CCN1C[C@H](NC(=O)c2cnn(C)c2I)CC1=O ZINC001450725770 1074455586 /nfs/dbraw/zinc/45/55/86/1074455586.db2.gz WVGBHTPVBJISIP-LLVKDONJSA-N 0 3 449.293 -0.066 20 0 IBADHN COCCN(C)CCN1C[C@@H](NC(=O)c2cnn(C)c2I)CC1=O ZINC001450725772 1074455568 /nfs/dbraw/zinc/45/55/68/1074455568.db2.gz WVGBHTPVBJISIP-NSHDSACASA-N 0 3 449.293 -0.066 20 0 IBADHN COCCN(C)CCN1C[C@@H](NC(=O)C2(CNC(=O)OC(C)(C)C)CC(O)C2)CC1=O ZINC001450726143 1074455659 /nfs/dbraw/zinc/45/56/59/1074455659.db2.gz YXOHGUVHOJWNMX-FQWCMUAHSA-N 0 3 442.557 -0.053 20 0 IBADHN COCCN(C)CCN1C[C@H](NC(=O)C2(CNC(=O)OC(C)(C)C)CC(O)C2)CC1=O ZINC001450726146 1074455545 /nfs/dbraw/zinc/45/55/45/1074455545.db2.gz YXOHGUVHOJWNMX-IZINQKCZSA-N 0 3 442.557 -0.053 20 0 IBADHN C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N1CN(CCN(C)C)C(=O)[C@H]1C ZINC001452146260 1074462005 /nfs/dbraw/zinc/46/20/05/1074462005.db2.gz FYYNEXIZOHQUPQ-CHWSQXEVSA-N 0 3 425.511 -0.969 20 0 IBADHN C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C ZINC001452146274 1074461887 /nfs/dbraw/zinc/46/18/87/1074461887.db2.gz FYYNEXIZOHQUPQ-OLZOCXBDSA-N 0 3 425.511 -0.969 20 0 IBADHN C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N1CN(CCN(C)C)C(=O)[C@H]1C ZINC001452146286 1074461955 /nfs/dbraw/zinc/46/19/55/1074461955.db2.gz FYYNEXIZOHQUPQ-QWHCGFSZSA-N 0 3 425.511 -0.969 20 0 IBADHN C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N1CN(CCN(C)C)C(=O)[C@@H]1C ZINC001452146303 1074461874 /nfs/dbraw/zinc/46/18/74/1074461874.db2.gz FYYNEXIZOHQUPQ-STQMWFEESA-N 0 3 425.511 -0.969 20 0 IBADHN CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)N2CN(CCN(C)C)C(=O)[C@H]2C)cc1 ZINC001452150564 1074461919 /nfs/dbraw/zinc/46/19/19/1074461919.db2.gz NBBQBXCZZXKYSD-CYBMUJFWSA-N 0 3 425.511 -0.498 20 0 IBADHN CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)N2CN(CCN(C)C)C(=O)[C@@H]2C)cc1 ZINC001452150566 1074461901 /nfs/dbraw/zinc/46/19/01/1074461901.db2.gz NBBQBXCZZXKYSD-ZDUSSCGKSA-N 0 3 425.511 -0.498 20 0 IBADHN CN1CCC(N(CCO)C(=O)c2cc(S(=O)(=O)NCC(N)=O)ccc2Cl)CC1 ZINC001452529633 1074463219 /nfs/dbraw/zinc/46/32/19/1074463219.db2.gz BJOWJYFQJLDNKV-UHFFFAOYSA-N 0 3 432.930 -0.368 20 0 IBADHN CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CCN3C[C@H](O)C[C@H]3C2)o1 ZINC001452661016 1074463168 /nfs/dbraw/zinc/46/31/68/1074463168.db2.gz OCFDKBWSMKTWLP-RRFJBIMHSA-N 0 3 441.506 -0.113 20 0 IBADHN CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CCN3C[C@H](O)C[C@H]3C2)o1 ZINC001452661023 1074463186 /nfs/dbraw/zinc/46/31/86/1074463186.db2.gz OCFDKBWSMKTWLP-ZNMIVQPWSA-N 0 3 441.506 -0.113 20 0 IBADHN CN(C)CCN1CCN(C(=O)[C@H](CCC(N)=O)NC(=O)OCc2ccccc2)CC1=O ZINC001452795871 1074463749 /nfs/dbraw/zinc/46/37/49/1074463749.db2.gz AASMUQYZZYYNRX-KRWDZBQOSA-N 0 3 433.509 -0.221 20 0 IBADHN CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)N2CCN(CCN(C)C)C(=O)C2)cc1 ZINC001452799219 1074464365 /nfs/dbraw/zinc/46/43/65/1074464365.db2.gz HFCDFIASAXUXDX-UHFFFAOYSA-N 0 3 440.522 -0.626 20 0 IBADHN CN(C)CCN1CCN(C(=O)CNS(=O)(=O)c2cccc(Br)c2)CC1=O ZINC001452805420 1074464179 /nfs/dbraw/zinc/46/41/79/1074464179.db2.gz ZYYDCVKHOFEALG-UHFFFAOYSA-N 0 3 447.355 -0.040 20 0 IBADHN NC(=O)c1cn(CCC(=O)N2CCO[C@H]3CCN(Cc4ccccc4)C[C@H]32)c(=O)[nH]c1=O ZINC001452833925 1074464155 /nfs/dbraw/zinc/46/41/55/1074464155.db2.gz LATJUDOUHUYNNX-MSOLQXFVSA-N 0 3 441.488 -0.060 20 0 IBADHN NC(=O)c1cn(CCC(=O)N2CCO[C@@H]3CCN(Cc4ccccc4)C[C@H]32)c(=O)[nH]c1=O ZINC001452833926 1074464136 /nfs/dbraw/zinc/46/41/36/1074464136.db2.gz LATJUDOUHUYNNX-QZTJIDSGSA-N 0 3 441.488 -0.060 20 0 IBADHN NC(=O)c1cn(CCC(=O)N2CCO[C@H]3CCN(Cc4ccccc4)C[C@@H]32)c(=O)[nH]c1=O ZINC001452833927 1074464234 /nfs/dbraw/zinc/46/42/34/1074464234.db2.gz LATJUDOUHUYNNX-ROUUACIJSA-N 0 3 441.488 -0.060 20 0 IBADHN NC(=O)c1cn(CCC(=O)N2CCO[C@@H]3CCN(Cc4ccccc4)C[C@@H]32)c(=O)[nH]c1=O ZINC001452833928 1074464307 /nfs/dbraw/zinc/46/43/07/1074464307.db2.gz LATJUDOUHUYNNX-ZWKOTPCHSA-N 0 3 441.488 -0.060 20 0 IBADHN CN(C)CCN(CC(=O)N(C)C)C(=O)c1cc(S(=O)(=O)N2CCSCC2)c[nH]1 ZINC001453125011 1074466327 /nfs/dbraw/zinc/46/63/27/1074466327.db2.gz IMABOOBMOTUIQR-UHFFFAOYSA-N 0 3 431.584 -0.156 20 0 IBADHN Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)N(CCN(C)C)CC(=O)N(C)C)C1 ZINC001453125129 1074466352 /nfs/dbraw/zinc/46/63/52/1074466352.db2.gz JGFONZGFBRJPEU-INIZCTEOSA-N 0 3 442.586 -0.094 20 0 IBADHN Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)N(CCN(C)C)CC(=O)N(C)C)C1 ZINC001453125216 1074466385 /nfs/dbraw/zinc/46/63/85/1074466385.db2.gz JGFONZGFBRJPEU-MRXNPFEDSA-N 0 3 442.586 -0.094 20 0 IBADHN C[C@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC001455229803 1074483257 /nfs/dbraw/zinc/48/32/57/1074483257.db2.gz IEEBZLHFSRNCCJ-FQEVSTJZSA-N 0 3 449.552 -0.066 20 0 IBADHN C[C@@](O)(CN1C(=O)NC2(CCCC2)C1=O)C(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC001455229804 1074483213 /nfs/dbraw/zinc/48/32/13/1074483213.db2.gz IEEBZLHFSRNCCJ-HXUWFJFHSA-N 0 3 449.552 -0.066 20 0 IBADHN Cc1ccc(S(=O)(=O)N[C@H](CCC(N)=O)C(=O)N2CC(N[C@@H]3CCOC3)C2)cc1C ZINC001456308971 1074492334 /nfs/dbraw/zinc/49/23/34/1074492334.db2.gz YXAFOEDPZNRZAB-CRAIPNDOSA-N 0 3 438.550 -0.195 20 0 IBADHN Cc1ccc(S(=O)(=O)N[C@H](CCC(N)=O)C(=O)N2CC(N[C@H]3CCOC3)C2)cc1C ZINC001456308987 1074492459 /nfs/dbraw/zinc/49/24/59/1074492459.db2.gz YXAFOEDPZNRZAB-MAUKXSAKSA-N 0 3 438.550 -0.195 20 0 IBADHN Cc1ccc(S(=O)(=O)N[C@@H](CCC(N)=O)C(=O)N2CC(N[C@@H]3CCOC3)C2)cc1C ZINC001456308996 1074492380 /nfs/dbraw/zinc/49/23/80/1074492380.db2.gz YXAFOEDPZNRZAB-QAPCUYQASA-N 0 3 438.550 -0.195 20 0 IBADHN Cc1ccc(S(=O)(=O)N[C@@H](CCC(N)=O)C(=O)N2CC(N[C@H]3CCOC3)C2)cc1C ZINC001456309004 1074492288 /nfs/dbraw/zinc/49/22/88/1074492288.db2.gz YXAFOEDPZNRZAB-YJBOKZPZSA-N 0 3 438.550 -0.195 20 0 IBADHN CN1CCC[C@H](NC(=O)C2CCN(S(=O)(=O)c3ccc(S(N)(=O)=O)cc3)CC2)C1 ZINC001457552370 1074498321 /nfs/dbraw/zinc/49/83/21/1074498321.db2.gz FRODHHNWGLRBQT-HNNXBMFYSA-N 0 3 444.579 -0.055 20 0 IBADHN CN1CCC[C@@H](NC(=O)C2CCN(S(=O)(=O)c3ccc(S(N)(=O)=O)cc3)CC2)C1 ZINC001457552376 1074498374 /nfs/dbraw/zinc/49/83/74/1074498374.db2.gz FRODHHNWGLRBQT-OAHLLOKOSA-N 0 3 444.579 -0.055 20 0 IBADHN CC(C)(C)OC(=O)N1CCC[C@](O)(CN[C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)C1 ZINC001459747773 1074502764 /nfs/dbraw/zinc/50/27/64/1074502764.db2.gz LJGKYZJGNGYQCK-BXWFABGCSA-N 0 3 433.571 -0.164 20 0 IBADHN CC(C)(C)OC(=O)N1CCC[C@](O)(CN[C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)C1 ZINC001459747776 1074502877 /nfs/dbraw/zinc/50/28/77/1074502877.db2.gz LJGKYZJGNGYQCK-FCEWJHQRSA-N 0 3 433.571 -0.164 20 0 IBADHN CC(C)(C)OC(=O)N1CCC[C@](O)(CN[C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)C1 ZINC001459747777 1074502776 /nfs/dbraw/zinc/50/27/76/1074502776.db2.gz LJGKYZJGNGYQCK-GJYPPUQNSA-N 0 3 433.571 -0.164 20 0 IBADHN CC(C)(C)OC(=O)N1CCC[C@](O)(CN[C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)C1 ZINC001459747778 1074502839 /nfs/dbraw/zinc/50/28/39/1074502839.db2.gz LJGKYZJGNGYQCK-MDZRGWNJSA-N 0 3 433.571 -0.164 20 0 IBADHN Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)N3C[C@@H]4C(=O)NC(=O)[C@@H]4C3)CC2)cc1 ZINC001460136924 1074504245 /nfs/dbraw/zinc/50/42/45/1074504245.db2.gz UKHUZIAAYKIPQF-BHYGNILZSA-N 0 3 434.518 -0.579 20 0 IBADHN Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)N3C[C@@H]4C(=O)NC(=O)[C@@H]4C3)CC2)cc1 ZINC001460136927 1074504306 /nfs/dbraw/zinc/50/43/06/1074504306.db2.gz UKHUZIAAYKIPQF-OIISXLGYSA-N 0 3 434.518 -0.579 20 0 IBADHN CNC(=O)[C@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc(C(C)=O)cc3)CC2)C1 ZINC001460266730 1074505943 /nfs/dbraw/zinc/50/59/43/1074505943.db2.gz SRSMPVACCCVKJH-KRWDZBQOSA-N 0 3 436.534 -0.210 20 0 IBADHN CNC(=O)[C@@H]1CCN(CC(=O)N2CCN(S(=O)(=O)c3ccc(C(C)=O)cc3)CC2)C1 ZINC001460266737 1074505909 /nfs/dbraw/zinc/50/59/09/1074505909.db2.gz SRSMPVACCCVKJH-QGZVFWFLSA-N 0 3 436.534 -0.210 20 0 IBADHN CCOC(=O)c1c(C)c(C(N)=O)sc1NC(=O)CN1CCN(CCN(C)C)C(=O)C1 ZINC001460339639 1074506397 /nfs/dbraw/zinc/50/63/97/1074506397.db2.gz NKUKTOJAQBFGEL-UHFFFAOYSA-N 0 3 439.538 -0.024 20 0 IBADHN Cc1ccc(NC(=O)CN2CCN(CCN(C)C)C(=O)C2)cc1S(=O)(=O)N(C)C ZINC001460340539 1074506425 /nfs/dbraw/zinc/50/64/25/1074506425.db2.gz RHCCTBDQLAZDGG-UHFFFAOYSA-N 0 3 425.555 -0.110 20 0 IBADHN NC(=O)[C@H]1CN(CC(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)C[C@@H]1C(N)=O ZINC001460437725 1074507139 /nfs/dbraw/zinc/50/71/39/1074507139.db2.gz VHUCCRZNXHVOCG-RYUDHWBXSA-N 0 3 429.308 -0.444 20 0 IBADHN NC(=O)[C@H]1CN(CC(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)C[C@H]1C(N)=O ZINC001460437727 1074506939 /nfs/dbraw/zinc/50/69/39/1074506939.db2.gz VHUCCRZNXHVOCG-TXEJJXNPSA-N 0 3 429.308 -0.444 20 0 IBADHN NC(=O)[C@@H]1CN(CC(=O)N2CCN(c3ncc(Cl)cc3Cl)CC2)C[C@H]1C(N)=O ZINC001460437728 1074507167 /nfs/dbraw/zinc/50/71/67/1074507167.db2.gz VHUCCRZNXHVOCG-VXGBXAGGSA-N 0 3 429.308 -0.444 20 0 IBADHN Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)N3C[C@@H](CO)[C@H](CO)C3)CC2)cc1 ZINC001460517069 1074507978 /nfs/dbraw/zinc/50/79/78/1074507978.db2.gz BXLCMPAJRXUYQX-BZSNNMDCSA-N 0 3 425.551 -0.251 20 0 IBADHN Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)N3C[C@@H](CO)[C@H](CO)C3)CC2)cc1 ZINC001460517080 1074508060 /nfs/dbraw/zinc/50/80/60/1074508060.db2.gz BXLCMPAJRXUYQX-SQNIBIBYSA-N 0 3 425.551 -0.251 20 0 IBADHN COC(=O)[C@@H]1C[C@H](N2C(=O)CNC2=O)CN1CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC001460548043 1074508042 /nfs/dbraw/zinc/50/80/42/1074508042.db2.gz SMCWRNLIECOMPB-ULQDDVLXSA-N 0 3 431.493 -0.427 20 0 IBADHN COC(=O)[C@@H]1C[C@H](N2C(=O)CNC2=O)CN1CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC001460548047 1074507871 /nfs/dbraw/zinc/50/78/71/1074507871.db2.gz SMCWRNLIECOMPB-YESZJQIVSA-N 0 3 431.493 -0.427 20 0 IBADHN CN1CCN(C)CCN(CC(=O)N2CCN(S(=O)(=O)c3ccccc3F)CC2)CC1 ZINC001460839836 1074511171 /nfs/dbraw/zinc/51/11/71/1074511171.db2.gz WXOWDQFEXGYSPP-UHFFFAOYSA-N 0 3 441.573 -0.162 20 0 IBADHN CN(C)CCN(CC(=O)N(C)C)C(=O)c1cc(S(=O)(=O)N2CCOCC2)cn1C ZINC001461484553 1074513102 /nfs/dbraw/zinc/51/31/02/1074513102.db2.gz NZPITXNZUYGAAT-UHFFFAOYSA-N 0 3 429.543 -0.862 20 0 IBADHN COc1cc(CNC[C@]23COCCN2C(=O)COC3)ccc1OCC(=O)N1CCOCC1 ZINC001461694510 1074513055 /nfs/dbraw/zinc/51/30/55/1074513055.db2.gz JSJRRPFWHGLJKF-JOCHJYFZSA-N 0 3 449.504 -0.350 20 0 IBADHN COc1cc(CNC[C@@]23COCCN2C(=O)COC3)ccc1OCC(=O)N1CCOCC1 ZINC001461694519 1074513115 /nfs/dbraw/zinc/51/31/15/1074513115.db2.gz JSJRRPFWHGLJKF-QFIPXVFZSA-N 0 3 449.504 -0.350 20 0 IBADHN CS(=O)(=O)N1CC(CS(=O)(=O)NCc2ccccc2CN2CCC[C@@H]2CO)C1 ZINC001463386181 1074522994 /nfs/dbraw/zinc/52/29/94/1074522994.db2.gz PJEHLDRUTYDYLV-GOSISDBHSA-N 0 3 431.580 -0.046 20 0 IBADHN CS(=O)(=O)N1CC(CS(=O)(=O)NCc2ccccc2CN2CCC[C@H]2CO)C1 ZINC001463386184 1074523043 /nfs/dbraw/zinc/52/30/43/1074523043.db2.gz PJEHLDRUTYDYLV-SFHVURJKSA-N 0 3 431.580 -0.046 20 0 IBADHN CCOC(=O)[C@H]1CCCN(S(=O)(=O)NCC2(N3CCOCC3)CCN(C)CC2)C1 ZINC001463876287 1074526664 /nfs/dbraw/zinc/52/66/64/1074526664.db2.gz KTMGJYPDOVAHBX-KRWDZBQOSA-N 0 3 432.587 -0.108 20 0 IBADHN CCOC(=O)[C@@H]1CCCN(S(=O)(=O)NCC2(N3CCOCC3)CCN(C)CC2)C1 ZINC001463876335 1074526718 /nfs/dbraw/zinc/52/67/18/1074526718.db2.gz KTMGJYPDOVAHBX-QGZVFWFLSA-N 0 3 432.587 -0.108 20 0 IBADHN C[C@@H]1C(=O)N(CCN(C)C)CN1S(=O)(=O)c1cccc(S(=O)(=O)NC2CC2)c1 ZINC001463949969 1074527461 /nfs/dbraw/zinc/52/74/61/1074527461.db2.gz HIMBGHKZJZCKIJ-CYBMUJFWSA-N 0 3 430.552 -0.132 20 0 IBADHN C[C@H]1C(=O)N(CCN(C)C)CN1S(=O)(=O)c1cccc(S(=O)(=O)NC2CC2)c1 ZINC001463949983 1074527350 /nfs/dbraw/zinc/52/73/50/1074527350.db2.gz HIMBGHKZJZCKIJ-ZDUSSCGKSA-N 0 3 430.552 -0.132 20 0 IBADHN CCCNS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(CCN(C)C)C(=O)C2)cc1 ZINC001464004102 1074528324 /nfs/dbraw/zinc/52/83/24/1074528324.db2.gz BIFILOLHYOPEBK-UHFFFAOYSA-N 0 3 432.568 -0.231 20 0 IBADHN CN1CCN(CCCCNC(=O)CNS(=O)(=O)c2cccc(S(C)(=O)=O)c2)CC1 ZINC001464071391 1074529058 /nfs/dbraw/zinc/52/90/58/1074529058.db2.gz DOILHPAIMXYMBB-UHFFFAOYSA-N 0 3 446.595 -0.488 20 0 IBADHN CN1CCN(CCCCNC(=O)c2cc(S(=O)(=O)NCC(N)=O)ccc2Cl)CC1 ZINC001464073166 1074529193 /nfs/dbraw/zinc/52/91/93/1074529193.db2.gz KHDSXYKEHBHNFV-UHFFFAOYSA-N 0 3 445.973 -0.139 20 0 IBADHN Cn1cc([C@@H]2[C@@H](C(=O)NCc3ccc(CN4CCN(C)CC4)cc3)[C@@H](O)C(=O)N2C)cn1 ZINC001464159925 1074530620 /nfs/dbraw/zinc/53/06/20/1074530620.db2.gz OCJIQUILJAMZHX-NJDAHSKKSA-N 0 3 440.548 -0.026 20 0 IBADHN COCCN(C)CCN1C[C@@H](NS(=O)(=O)c2cnc(C)c(C(=O)OC)c2)CC1=O ZINC001464285099 1074532823 /nfs/dbraw/zinc/53/28/23/1074532823.db2.gz IORJJQZGSXYBHA-AWEZNQCLSA-N 0 3 428.511 -0.366 20 0 IBADHN COCCN(C)CCN1C[C@H](NS(=O)(=O)c2cnc(C)c(C(=O)OC)c2)CC1=O ZINC001464285247 1074532690 /nfs/dbraw/zinc/53/26/90/1074532690.db2.gz IORJJQZGSXYBHA-CQSZACIVSA-N 0 3 428.511 -0.366 20 0 IBADHN C[C@@H](O)[C@H](NS(=O)(=O)c1cccs1)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC001464799281 1074540211 /nfs/dbraw/zinc/54/02/11/1074540211.db2.gz XGGKNEAHRDZTST-PBHICJAKSA-N 0 3 444.579 -0.458 20 0 IBADHN C[C@@H](O)[C@@H](NS(=O)(=O)c1cccs1)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC001464799287 1074540123 /nfs/dbraw/zinc/54/01/23/1074540123.db2.gz XGGKNEAHRDZTST-RHSMWYFYSA-N 0 3 444.579 -0.458 20 0 IBADHN C[C@H](O)[C@@H](NS(=O)(=O)c1cccs1)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC001464799294 1074540742 /nfs/dbraw/zinc/54/07/42/1074540742.db2.gz XGGKNEAHRDZTST-WMLDXEAASA-N 0 3 444.579 -0.458 20 0 IBADHN C[C@H](O)[C@H](NS(=O)(=O)c1cccs1)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC001464799299 1074540551 /nfs/dbraw/zinc/54/05/51/1074540551.db2.gz XGGKNEAHRDZTST-YOEHRIQHSA-N 0 3 444.579 -0.458 20 0 IBADHN NC(=O)C[C@H](NC(=O)c1ccccc1F)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC001464813785 1074540614 /nfs/dbraw/zinc/54/06/14/1074540614.db2.gz RQGZDDSMKRVWSI-KRWDZBQOSA-N 0 3 433.484 -0.434 20 0 IBADHN NC(=O)C[C@@H](NC(=O)c1ccccc1F)C(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC001464813786 1074540573 /nfs/dbraw/zinc/54/05/73/1074540573.db2.gz RQGZDDSMKRVWSI-QGZVFWFLSA-N 0 3 433.484 -0.434 20 0 IBADHN C[C@@H](CO)NS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)CN3CCCC3)CC2)cc1 ZINC001464815238 1074540726 /nfs/dbraw/zinc/54/07/26/1074540726.db2.gz WMAPHHABTHNPPQ-INIZCTEOSA-N 0 3 438.550 -0.274 20 0 IBADHN C[C@H](CO)NS(=O)(=O)c1ccc(C(=O)N2CCN(C(=O)CN3CCCC3)CC2)cc1 ZINC001464815242 1074540628 /nfs/dbraw/zinc/54/06/28/1074540628.db2.gz WMAPHHABTHNPPQ-MRXNPFEDSA-N 0 3 438.550 -0.274 20 0 IBADHN CCN(CC)CC(=O)N1CCN(C(=O)[C@@H](NS(=O)(=O)c2cccs2)[C@@H](C)O)CC1 ZINC001464933831 1074543105 /nfs/dbraw/zinc/54/31/05/1074543105.db2.gz CZDGYLARKTXXAB-PBHICJAKSA-N 0 3 446.595 -0.212 20 0 IBADHN CCN(CC)CC(=O)N1CCN(C(=O)[C@H](NS(=O)(=O)c2cccs2)[C@@H](C)O)CC1 ZINC001464934084 1074542932 /nfs/dbraw/zinc/54/29/32/1074542932.db2.gz CZDGYLARKTXXAB-RHSMWYFYSA-N 0 3 446.595 -0.212 20 0 IBADHN CCN(CC)CC(=O)N1CCN(C(=O)[C@H](NS(=O)(=O)c2cccs2)[C@H](C)O)CC1 ZINC001464934089 1074543013 /nfs/dbraw/zinc/54/30/13/1074543013.db2.gz CZDGYLARKTXXAB-WMLDXEAASA-N 0 3 446.595 -0.212 20 0 IBADHN CCN(CC)CC(=O)N1CCN(C(=O)[C@@H](NS(=O)(=O)c2cccs2)[C@H](C)O)CC1 ZINC001464934094 1074543067 /nfs/dbraw/zinc/54/30/67/1074543067.db2.gz CZDGYLARKTXXAB-YOEHRIQHSA-N 0 3 446.595 -0.212 20 0 IBADHN CCN(CC)CC(=O)N1CCN(C(=O)[C@@H](CC(N)=O)NC(=O)Cc2cccc(F)c2)CC1 ZINC001464934098 1074543600 /nfs/dbraw/zinc/54/36/00/1074543600.db2.gz CZIYYTONAGLART-GOSISDBHSA-N 0 3 449.527 -0.259 20 0 IBADHN CCN(CC)CC(=O)N1CCN(C(=O)[C@H](CC(N)=O)NC(=O)Cc2cccc(F)c2)CC1 ZINC001464934103 1074543654 /nfs/dbraw/zinc/54/36/54/1074543654.db2.gz CZIYYTONAGLART-SFHVURJKSA-N 0 3 449.527 -0.259 20 0 IBADHN CN(CCN1CCN(C(=O)CCn2cc(C(N)=O)c(=O)[nH]c2=O)CC1)Cc1ccccc1 ZINC001464939816 1074543470 /nfs/dbraw/zinc/54/34/70/1074543470.db2.gz QTLABAOXZBBYRM-UHFFFAOYSA-N 0 3 442.520 -0.286 20 0 IBADHN C[C@H](NC(=O)Cn1cnnn1)C(=O)Nc1ccc(C(=O)N(C)[C@@H]2CCCN(C)C2)cc1 ZINC001465219278 1074545332 /nfs/dbraw/zinc/54/53/32/1074545332.db2.gz PHWFINKVPTUUKX-WMLDXEAASA-N 0 3 428.497 -0.017 20 0 IBADHN C[C@H](NC(=O)Cn1cnnn1)C(=O)Nc1ccc(C(=O)N(C)[C@H]2CCCN(C)C2)cc1 ZINC001465219279 1074545308 /nfs/dbraw/zinc/54/53/08/1074545308.db2.gz PHWFINKVPTUUKX-YOEHRIQHSA-N 0 3 428.497 -0.017 20 0 IBADHN CN(CCNC(=O)C1CCN(C(=O)CNS(=O)(=O)N(C)C)CC1)Cc1ccccc1 ZINC001465495652 1074548895 /nfs/dbraw/zinc/54/88/95/1074548895.db2.gz HOHOKZYGNMWGIT-UHFFFAOYSA-N 0 3 439.582 -0.131 20 0 IBADHN CN(CCNC(=O)C1CCN(C(=O)c2cn(CC(N)=O)nn2)CC1)Cc1ccccc1 ZINC001465495875 1074548873 /nfs/dbraw/zinc/54/88/73/1074548873.db2.gz UERJHEDGTPNINC-UHFFFAOYSA-N 0 3 427.509 -0.136 20 0 IBADHN COC1CCN(CCNC(=O)CNS(=O)(=O)c2cccc(S(C)(=O)=O)c2)CC1 ZINC001465577475 1074548805 /nfs/dbraw/zinc/54/88/05/1074548805.db2.gz GYNATXASUUGELE-UHFFFAOYSA-N 0 3 433.552 -0.405 20 0 IBADHN CN(C)CCn1nccc1NC(=O)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 ZINC001466715989 1074553626 /nfs/dbraw/zinc/55/36/26/1074553626.db2.gz VDMNDWJLCJDUGZ-AWEZNQCLSA-N 0 3 448.571 -0.889 20 0 IBADHN CN(C)CCn1nccc1NC(=O)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001466715990 1074553507 /nfs/dbraw/zinc/55/35/07/1074553507.db2.gz VDMNDWJLCJDUGZ-CQSZACIVSA-N 0 3 448.571 -0.889 20 0 IBADHN CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)N2CC[C@H](N3CC[C@H](O)C3)C2)s1 ZINC001467811752 1074558986 /nfs/dbraw/zinc/55/89/86/1074558986.db2.gz KWGUEIRKPGAZLK-KBPBESRZSA-N 0 3 430.552 -0.670 20 0 IBADHN CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)N2CC[C@@H](N3CC[C@H](O)C3)C2)s1 ZINC001467811756 1074559119 /nfs/dbraw/zinc/55/91/19/1074559119.db2.gz KWGUEIRKPGAZLK-KGLIPLIRSA-N 0 3 430.552 -0.670 20 0 IBADHN CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)N2CC[C@H](N3CC[C@@H](O)C3)C2)s1 ZINC001467811759 1074559160 /nfs/dbraw/zinc/55/91/60/1074559160.db2.gz KWGUEIRKPGAZLK-UONOGXRCSA-N 0 3 430.552 -0.670 20 0 IBADHN CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)N2CC[C@@H](N3CC[C@@H](O)C3)C2)s1 ZINC001467811761 1074559046 /nfs/dbraw/zinc/55/90/46/1074559046.db2.gz KWGUEIRKPGAZLK-ZIAGYGMSSA-N 0 3 430.552 -0.670 20 0 IBADHN COCCN(CCOC)C1CCN(C(=O)C(=O)c2cc(S(N)(=O)=O)cn2C)CC1 ZINC001467846503 1074559427 /nfs/dbraw/zinc/55/94/27/1074559427.db2.gz GIWQRZYQZVZAMU-UHFFFAOYSA-N 0 3 430.527 -0.559 20 0 IBADHN COCCNS(=O)(=O)c1ccc(CNC(=O)N2CN(CCN(C)C)C(=O)[C@@H]2C)cc1 ZINC001467924047 1074560094 /nfs/dbraw/zinc/56/00/94/1074560094.db2.gz AGWCXIOBWUJNJW-HNNXBMFYSA-N 0 3 441.554 -0.127 20 0 IBADHN COCCNS(=O)(=O)c1ccc(CNC(=O)N2CN(CCN(C)C)C(=O)[C@H]2C)cc1 ZINC001467924048 1074560554 /nfs/dbraw/zinc/56/05/54/1074560554.db2.gz AGWCXIOBWUJNJW-OAHLLOKOSA-N 0 3 441.554 -0.127 20 0 IBADHN CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)N[C@H](CO)CN2CCCCC2)s1 ZINC001467945116 1074560460 /nfs/dbraw/zinc/56/04/60/1074560460.db2.gz GBMZFZPOKWEKEF-AWEZNQCLSA-N 0 3 432.568 -0.375 20 0 IBADHN CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)N[C@@H](CO)CN2CCCCC2)s1 ZINC001467945117 1074560565 /nfs/dbraw/zinc/56/05/65/1074560565.db2.gz GBMZFZPOKWEKEF-CQSZACIVSA-N 0 3 432.568 -0.375 20 0 IBADHN CS(=O)(=O)c1cccc(S(=O)(=O)NCC(=O)N[C@H](CO)CN2CCCCC2)c1 ZINC001467947045 1074560443 /nfs/dbraw/zinc/56/04/43/1074560443.db2.gz VOTBHRLFSUTCAN-AWEZNQCLSA-N 0 3 433.552 -0.669 20 0 IBADHN CS(=O)(=O)c1cccc(S(=O)(=O)NCC(=O)N[C@@H](CO)CN2CCCCC2)c1 ZINC001467947046 1074560539 /nfs/dbraw/zinc/56/05/39/1074560539.db2.gz VOTBHRLFSUTCAN-CQSZACIVSA-N 0 3 433.552 -0.669 20 0 IBADHN Cc1ccc(S(=O)(=O)N[C@H](C(=O)NCC(=O)NCCN2CCCCC2)[C@@H](C)O)cc1 ZINC001468041104 1074561894 /nfs/dbraw/zinc/56/18/94/1074561894.db2.gz BYIMDJFHDGQULD-APWZRJJASA-N 0 3 440.566 -0.259 20 0 IBADHN Cc1ccc(S(=O)(=O)N[C@H](C(=O)NCC(=O)NCCN2CCCCC2)[C@H](C)O)cc1 ZINC001468041105 1074561904 /nfs/dbraw/zinc/56/19/04/1074561904.db2.gz BYIMDJFHDGQULD-LPHOPBHVSA-N 0 3 440.566 -0.259 20 0 IBADHN Cc1ccc(S(=O)(=O)N[C@@H](C(=O)NCC(=O)NCCN2CCCCC2)[C@H](C)O)cc1 ZINC001468041106 1074561856 /nfs/dbraw/zinc/56/18/56/1074561856.db2.gz BYIMDJFHDGQULD-QFBILLFUSA-N 0 3 440.566 -0.259 20 0 IBADHN Cc1ccc(S(=O)(=O)N[C@@H](C(=O)NCC(=O)NCCN2CCCCC2)[C@@H](C)O)cc1 ZINC001468041107 1074561838 /nfs/dbraw/zinc/56/18/38/1074561838.db2.gz BYIMDJFHDGQULD-VQIMIIECSA-N 0 3 440.566 -0.259 20 0 IBADHN O=C(CNC(=O)[C@H](CO)NS(=O)(=O)c1ccc(Cl)cc1)NCCN1CCCCC1 ZINC001468042354 1074561914 /nfs/dbraw/zinc/56/19/14/1074561914.db2.gz RJFPFSJQRKAIFX-INIZCTEOSA-N 0 3 446.957 -0.303 20 0 IBADHN O=C(CNC(=O)[C@@H](CO)NS(=O)(=O)c1ccc(Cl)cc1)NCCN1CCCCC1 ZINC001468042355 1074561779 /nfs/dbraw/zinc/56/17/79/1074561779.db2.gz RJFPFSJQRKAIFX-MRXNPFEDSA-N 0 3 446.957 -0.303 20 0 IBADHN O=C(CNC(=O)c1ccc(S(=O)(=O)N2CCOCC2)o1)NCCN1CCCCC1 ZINC001468043988 1074561882 /nfs/dbraw/zinc/56/18/82/1074561882.db2.gz UFQRQJKGRMWFKW-UHFFFAOYSA-N 0 3 428.511 -0.368 20 0 IBADHN CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)N[C@H]2CCCN(CCCO)C2)s1 ZINC001468172954 1074562545 /nfs/dbraw/zinc/56/25/45/1074562545.db2.gz XGKSGPUWGHTXAX-AWEZNQCLSA-N 0 3 432.568 -0.375 20 0 IBADHN CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)N[C@@H]2CCCN(CCCO)C2)s1 ZINC001468172955 1074562731 /nfs/dbraw/zinc/56/27/31/1074562731.db2.gz XGKSGPUWGHTXAX-CQSZACIVSA-N 0 3 432.568 -0.375 20 0 IBADHN NC(=O)C1(N2CCCCC2)CCN(C(=O)NCCS(=O)(=O)N2CCOCC2)CC1 ZINC001468354869 1074563919 /nfs/dbraw/zinc/56/39/19/1074563919.db2.gz BTKQHXWHBKITER-UHFFFAOYSA-N 0 3 431.559 -0.836 20 0 IBADHN CN1CCN(CC2CN(C(=O)c3cc(S(N)(=O)=O)ccc3N3CCOCC3)C2)CC1 ZINC001468380008 1074564247 /nfs/dbraw/zinc/56/42/47/1074564247.db2.gz DHANSFUOZNZBPG-UHFFFAOYSA-N 0 3 437.566 -0.510 20 0 IBADHN CN1CCN(CC2CN(C(=O)[C@@H]3C[C@@H](O)CN3S(=O)(=O)c3ccc(F)cc3)C2)CC1 ZINC001468381653 1074564513 /nfs/dbraw/zinc/56/45/13/1074564513.db2.gz IHBVJSKVAOGODL-MJGOQNOKSA-N 0 3 440.541 -0.345 20 0 IBADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)NCc1ccccc1S(=O)(=O)N(C)CCO ZINC001468665361 1074566728 /nfs/dbraw/zinc/56/67/28/1074566728.db2.gz BNFPCDSLCAXIQK-HNNXBMFYSA-N 0 3 441.554 -0.439 20 0 IBADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)NCc1ccccc1S(=O)(=O)N(C)CCO ZINC001468665362 1074566935 /nfs/dbraw/zinc/56/69/35/1074566935.db2.gz BNFPCDSLCAXIQK-OAHLLOKOSA-N 0 3 441.554 -0.439 20 0 IBADHN CN(C)CCN(CC(=O)N(C)C)C(=O)NCc1cccnc1N1CCC(C(N)=O)CC1 ZINC001468665755 1074566877 /nfs/dbraw/zinc/56/68/77/1074566877.db2.gz FVNMBKPESSYBCG-UHFFFAOYSA-N 0 3 433.557 -0.055 20 0 IBADHN COCCN(C)CCN1C[C@H](NC(=O)[C@H]2OCC(=O)N(C)[C@@H]2c2cccnc2)CC1=O ZINC001468667704 1074566767 /nfs/dbraw/zinc/56/67/67/1074566767.db2.gz AJRVFAGHIQHMMS-AHRSYUTCSA-N 0 3 433.509 -0.725 20 0 IBADHN COCCN(C)CCN1C[C@@H](NC(=O)[C@H]2OCC(=O)N(C)[C@@H]2c2cccnc2)CC1=O ZINC001468667708 1074566850 /nfs/dbraw/zinc/56/68/50/1074566850.db2.gz AJRVFAGHIQHMMS-DBVUQKKJSA-N 0 3 433.509 -0.725 20 0 IBADHN CCS(=O)(=O)c1ccc(C(=O)N[C@H]2CC(=O)N(CCN(C)CCOC)C2)c(N)c1 ZINC001468669257 1074567367 /nfs/dbraw/zinc/56/73/67/1074567367.db2.gz JHTKTDWTGPOIIO-AWEZNQCLSA-N 0 3 426.539 -0.029 20 0 IBADHN CCS(=O)(=O)c1ccc(C(=O)N[C@@H]2CC(=O)N(CCN(C)CCOC)C2)c(N)c1 ZINC001468669262 1074567446 /nfs/dbraw/zinc/56/74/46/1074567446.db2.gz JHTKTDWTGPOIIO-CQSZACIVSA-N 0 3 426.539 -0.029 20 0 IBADHN COCCN(C)CCN1C[C@@H](NC(=O)CC2(O)CN(C(=O)OC(C)(C)C)C2)CC1=O ZINC001468670917 1074567519 /nfs/dbraw/zinc/56/75/19/1074567519.db2.gz OTVZWKSINORFIG-HNNXBMFYSA-N 0 3 428.530 -0.346 20 0 IBADHN COCCN(C)CCN1C[C@H](NC(=O)CC2(O)CN(C(=O)OC(C)(C)C)C2)CC1=O ZINC001468670918 1074567297 /nfs/dbraw/zinc/56/72/97/1074567297.db2.gz OTVZWKSINORFIG-OAHLLOKOSA-N 0 3 428.530 -0.346 20 0 IBADHN COCCN(C)CCN1C[C@H](NC(=O)c2cc(S(N)(=O)=O)cc(F)c2C)CC1=O ZINC001468671335 1074567546 /nfs/dbraw/zinc/56/75/46/1074567546.db2.gz UXEZPESDHNLJFO-CYBMUJFWSA-N 0 3 430.502 -0.310 20 0 IBADHN COCCN(C)CCN1C[C@@H](NC(=O)c2cc(S(N)(=O)=O)cc(F)c2C)CC1=O ZINC001468671338 1074567392 /nfs/dbraw/zinc/56/73/92/1074567392.db2.gz UXEZPESDHNLJFO-ZDUSSCGKSA-N 0 3 430.502 -0.310 20 0 IBADHN COCCN(C)CCN1C[C@H](NC(=O)[C@@H]2Nc3ccccc3S(=O)(=O)N2)CC1=O ZINC001468671532 1074567349 /nfs/dbraw/zinc/56/73/49/1074567349.db2.gz WVXRHTHTGYLMBP-CXAGYDPISA-N 0 3 425.511 -0.988 20 0 IBADHN COCCN(C)CCN1C[C@H](NC(=O)[C@H]2Nc3ccccc3S(=O)(=O)N2)CC1=O ZINC001468671533 1074567337 /nfs/dbraw/zinc/56/73/37/1074567337.db2.gz WVXRHTHTGYLMBP-DYVFJYSZSA-N 0 3 425.511 -0.988 20 0 IBADHN COCCN(C)CCN1C[C@@H](NC(=O)[C@H]2Nc3ccccc3S(=O)(=O)N2)CC1=O ZINC001468671534 1074567380 /nfs/dbraw/zinc/56/73/80/1074567380.db2.gz WVXRHTHTGYLMBP-GUYCJALGSA-N 0 3 425.511 -0.988 20 0 IBADHN COCCN(C)CCN1C[C@@H](NC(=O)[C@@H]2Nc3ccccc3S(=O)(=O)N2)CC1=O ZINC001468671537 1074567435 /nfs/dbraw/zinc/56/74/35/1074567435.db2.gz WVXRHTHTGYLMBP-SUMWQHHRSA-N 0 3 425.511 -0.988 20 0 IBADHN COCCN(C)CCN1C[C@H](NC(=O)c2cn(C)nc2I)CC1=O ZINC001468671610 1074567318 /nfs/dbraw/zinc/56/73/18/1074567318.db2.gz YDVSJXQKTIOKEN-LLVKDONJSA-N 0 3 449.293 -0.066 20 0 IBADHN COCCN(C)CCN1C[C@@H](NC(=O)c2cn(C)nc2I)CC1=O ZINC001468671611 1074567481 /nfs/dbraw/zinc/56/74/81/1074567481.db2.gz YDVSJXQKTIOKEN-NSHDSACASA-N 0 3 449.293 -0.066 20 0 IBADHN COCCN(C)CCN1C[C@H](NC(=O)c2ccc(S(N)(=O)=O)c(Cl)c2)CC1=O ZINC001468671613 1074567413 /nfs/dbraw/zinc/56/74/13/1074567413.db2.gz YESMUZXUYYBMHU-CYBMUJFWSA-N 0 3 432.930 -0.104 20 0 IBADHN COCCN(C)CCN1C[C@@H](NC(=O)c2ccc(S(N)(=O)=O)c(Cl)c2)CC1=O ZINC001468671614 1074567273 /nfs/dbraw/zinc/56/72/73/1074567273.db2.gz YESMUZXUYYBMHU-ZDUSSCGKSA-N 0 3 432.930 -0.104 20 0 IBADHN CN1C2(CCC2)COC[C@]1(CO)CNC(=O)N[C@H]1CCN(CCN2CCOCC2)C1 ZINC001468743210 1074568063 /nfs/dbraw/zinc/56/80/63/1074568063.db2.gz FCNZMFRPLCLJMT-GHTZIAJQSA-N 0 3 425.574 -0.692 20 0 IBADHN CN1C2(CCC2)COC[C@@]1(CO)CNC(=O)N[C@@H]1CCN(CCN2CCOCC2)C1 ZINC001468743211 1074567932 /nfs/dbraw/zinc/56/79/32/1074567932.db2.gz FCNZMFRPLCLJMT-NQIIRXRSSA-N 0 3 425.574 -0.692 20 0 IBADHN CN1C2(CCC2)COC[C@@]1(CO)CNC(=O)N[C@H]1CCN(CCN2CCOCC2)C1 ZINC001468743212 1074568099 /nfs/dbraw/zinc/56/80/99/1074568099.db2.gz FCNZMFRPLCLJMT-RXVVDRJESA-N 0 3 425.574 -0.692 20 0 IBADHN CN1C2(CCC2)COC[C@]1(CO)CNC(=O)N[C@@H]1CCN(CCN2CCOCC2)C1 ZINC001468743213 1074567847 /nfs/dbraw/zinc/56/78/47/1074567847.db2.gz FCNZMFRPLCLJMT-WIYYLYMNSA-N 0 3 425.574 -0.692 20 0 IBADHN CN(C)CCN1CCN(C(=O)NCC2CCN(S(=O)(=O)C(F)F)CC2)CC1=O ZINC001468845418 1074568844 /nfs/dbraw/zinc/56/88/44/1074568844.db2.gz OFGLOGZZYSTJHM-UHFFFAOYSA-N 0 3 425.502 -0.334 20 0 IBADHN Cn1cc(S(=O)(=O)N2CCC(NC(=O)N3CC[C@@H]4[C@@H]3CCCN4CCO)CC2)cn1 ZINC001468974223 1074571288 /nfs/dbraw/zinc/57/12/88/1074571288.db2.gz XACWFFKYVHZGCJ-MSOLQXFVSA-N 0 3 440.570 -0.186 20 0 IBADHN Cn1cc(S(=O)(=O)N2CCC(NC(=O)N3CC[C@@H]4[C@H]3CCCN4CCO)CC2)cn1 ZINC001468974226 1074571326 /nfs/dbraw/zinc/57/13/26/1074571326.db2.gz XACWFFKYVHZGCJ-QZTJIDSGSA-N 0 3 440.570 -0.186 20 0 IBADHN Cn1cc(S(=O)(=O)N2CCC(NC(=O)N3CC[C@H]4[C@@H]3CCCN4CCO)CC2)cn1 ZINC001468974229 1074571382 /nfs/dbraw/zinc/57/13/82/1074571382.db2.gz XACWFFKYVHZGCJ-ROUUACIJSA-N 0 3 440.570 -0.186 20 0 IBADHN Cn1cc(S(=O)(=O)N2CCC(NC(=O)N3CC[C@H]4[C@H]3CCCN4CCO)CC2)cn1 ZINC001468974234 1074571309 /nfs/dbraw/zinc/57/13/09/1074571309.db2.gz XACWFFKYVHZGCJ-ZWKOTPCHSA-N 0 3 440.570 -0.186 20 0 IBADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)Cn1cnc2c(c(Br)nn2C)c1=O ZINC001469341714 1074574140 /nfs/dbraw/zinc/57/41/40/1074574140.db2.gz HLULPKTUKNEMKK-JTQLQIEISA-N 0 3 440.302 -0.529 20 0 IBADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)Cn1cnc2c(c(Br)nn2C)c1=O ZINC001469341722 1074574187 /nfs/dbraw/zinc/57/41/87/1074574187.db2.gz HLULPKTUKNEMKK-SNVBAGLBSA-N 0 3 440.302 -0.529 20 0 IBADHN O=C([C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC001469664845 1074575021 /nfs/dbraw/zinc/57/50/21/1074575021.db2.gz SIAYAUNSXHXVFN-HWMZRRJGSA-N 0 3 429.926 -0.259 20 0 IBADHN O=C([C@@H]1C[C@H](O)CN1S(=O)(=O)c1ccc(Cl)cc1)N1CCN2C[C@H](O)C[C@H]2C1 ZINC001469664848 1074575087 /nfs/dbraw/zinc/57/50/87/1074575087.db2.gz SIAYAUNSXHXVFN-IVSAIRAKSA-N 0 3 429.926 -0.259 20 0 IBADHN CN(C)CCN1CCN(C(=O)c2cc(-c3ccco3)nc3c(C(N)=O)ncn32)CC1=O ZINC001469771738 1074575987 /nfs/dbraw/zinc/57/59/87/1074575987.db2.gz LRHUFYVZWHBNCR-UHFFFAOYSA-N 0 3 425.449 -0.066 20 0 IBADHN CN(C)CCN1CCN(C(=O)c2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)CC1=O ZINC001469771990 1074576386 /nfs/dbraw/zinc/57/63/86/1074576386.db2.gz OWRYDIDWQBEWNN-KRWDZBQOSA-N 0 3 438.550 -0.010 20 0 IBADHN CN(C)CCN1CCN(C(=O)c2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)CC1=O ZINC001469771991 1074576229 /nfs/dbraw/zinc/57/62/29/1074576229.db2.gz OWRYDIDWQBEWNN-QGZVFWFLSA-N 0 3 438.550 -0.010 20 0 IBADHN CN(C)CCN1CCN(C(=O)[C@H](CO)NS(=O)(=O)c2ccc(Cl)cc2)CC1=O ZINC001469772629 1074576318 /nfs/dbraw/zinc/57/63/18/1074576318.db2.gz XODAPZZVRNWLNL-HNNXBMFYSA-N 0 3 432.930 -0.788 20 0 IBADHN CN(C)CCN1CCN(C(=O)[C@@H](CO)NS(=O)(=O)c2ccc(Cl)cc2)CC1=O ZINC001469772630 1074576236 /nfs/dbraw/zinc/57/62/36/1074576236.db2.gz XODAPZZVRNWLNL-OAHLLOKOSA-N 0 3 432.930 -0.788 20 0 IBADHN CN(C)CCN1CCN(C(=O)CNS(=O)(=O)c2ccc3c(c2)OCCCO3)CC1=O ZINC001469772658 1074576284 /nfs/dbraw/zinc/57/62/84/1074576284.db2.gz YFRCBXDDWCOJLF-UHFFFAOYSA-N 0 3 440.522 -0.641 20 0 IBADHN CN(C)CCN(CC(=O)N(C)C)C(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1 ZINC001469979395 1074578498 /nfs/dbraw/zinc/57/84/98/1074578498.db2.gz PMHTXIQEUCVVMP-UHFFFAOYSA-N 0 3 441.554 -0.855 20 0 IBADHN Cc1ccc(S(=O)(=O)N[C@@H](C(=O)N(CCN(C)C)CC(=O)N(C)C)[C@@H](C)O)cc1 ZINC001469979401 1074578507 /nfs/dbraw/zinc/57/85/07/1074578507.db2.gz PTQJWKAIAVMXSY-CRAIPNDOSA-N 0 3 428.555 -0.499 20 0 IBADHN Cc1ccc(S(=O)(=O)N[C@@H](C(=O)N(CCN(C)C)CC(=O)N(C)C)[C@H](C)O)cc1 ZINC001469979402 1074578471 /nfs/dbraw/zinc/57/84/71/1074578471.db2.gz PTQJWKAIAVMXSY-MAUKXSAKSA-N 0 3 428.555 -0.499 20 0 IBADHN Cc1ccc(S(=O)(=O)N[C@H](C(=O)N(CCN(C)C)CC(=O)N(C)C)[C@@H](C)O)cc1 ZINC001469979603 1074578385 /nfs/dbraw/zinc/57/83/85/1074578385.db2.gz PTQJWKAIAVMXSY-QAPCUYQASA-N 0 3 428.555 -0.499 20 0 IBADHN Cc1ccc(S(=O)(=O)N[C@H](C(=O)N(CCN(C)C)CC(=O)N(C)C)[C@H](C)O)cc1 ZINC001469979604 1074578516 /nfs/dbraw/zinc/57/85/16/1074578516.db2.gz PTQJWKAIAVMXSY-YJBOKZPZSA-N 0 3 428.555 -0.499 20 0 IBADHN COc1ccc(S(=O)(=O)N2CC(NC(=O)N(CCN(C)C)CC(=O)N(C)C)C2)cc1 ZINC001470097426 1074579736 /nfs/dbraw/zinc/57/97/36/1074579736.db2.gz VOXWTIBTTJYEIS-UHFFFAOYSA-N 0 3 441.554 -0.271 20 0 IBADHN Cc1c(C(=O)NC2CCN(S(N)(=O)=O)CC2)nnn1-c1cccc2c1CCN(C)C2 ZINC001470607305 1074584843 /nfs/dbraw/zinc/58/48/43/1074584843.db2.gz ZWIKSDNXILGPHE-UHFFFAOYSA-N 0 3 433.538 -0.039 20 0 IBADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)NC[C@@H](NS(=O)(=O)N(C)C)C1CCCC1 ZINC001470666308 1074585186 /nfs/dbraw/zinc/58/51/86/1074585186.db2.gz LRJMFBSYFVTBLJ-GDBMZVCRSA-N 0 3 432.591 -0.297 20 0 IBADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)NC[C@@H](NS(=O)(=O)N(C)C)C1CCCC1 ZINC001470666310 1074585548 /nfs/dbraw/zinc/58/55/48/1074585548.db2.gz LRJMFBSYFVTBLJ-GOEBONIOSA-N 0 3 432.591 -0.297 20 0 IBADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)NC[C@H](NS(=O)(=O)N(C)C)C1CCCC1 ZINC001470666312 1074585684 /nfs/dbraw/zinc/58/56/84/1074585684.db2.gz LRJMFBSYFVTBLJ-HOCLYGCPSA-N 0 3 432.591 -0.297 20 0 IBADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)NC[C@H](NS(=O)(=O)N(C)C)C1CCCC1 ZINC001470666314 1074585653 /nfs/dbraw/zinc/58/56/53/1074585653.db2.gz LRJMFBSYFVTBLJ-ZBFHGGJFSA-N 0 3 432.591 -0.297 20 0 IBADHN Cc1nc(S(=O)(=O)N2CCN(C(=O)NC3CCN([C@H]4CCOC4)CC3)CC2)cn1C ZINC001470862978 1074589032 /nfs/dbraw/zinc/58/90/32/1074589032.db2.gz KXPSEVPQYMMMRZ-KRWDZBQOSA-N 0 3 440.570 -0.002 20 0 IBADHN Cc1nc(S(=O)(=O)N2CCN(C(=O)NC3CCN([C@@H]4CCOC4)CC3)CC2)cn1C ZINC001470862982 1074588940 /nfs/dbraw/zinc/58/89/40/1074588940.db2.gz KXPSEVPQYMMMRZ-QGZVFWFLSA-N 0 3 440.570 -0.002 20 0 IBADHN CN(C)S(=O)(=O)N1CC(NC(=O)N[C@H]2CCN(Cc3ccccc3)C[C@@H]2CO)C1 ZINC001470965264 1074589504 /nfs/dbraw/zinc/58/95/04/1074589504.db2.gz QSBDNYBUEGSWBO-AEFFLSMTSA-N 0 3 425.555 -0.341 20 0 IBADHN CN(C)S(=O)(=O)N1CC(NC(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@H]2CO)C1 ZINC001470965265 1074589226 /nfs/dbraw/zinc/58/92/26/1074589226.db2.gz QSBDNYBUEGSWBO-FUHWJXTLSA-N 0 3 425.555 -0.341 20 0 IBADHN CN(C)S(=O)(=O)N1CC(NC(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@@H]2CO)C1 ZINC001470965266 1074589489 /nfs/dbraw/zinc/58/94/89/1074589489.db2.gz QSBDNYBUEGSWBO-SJLPKXTDSA-N 0 3 425.555 -0.341 20 0 IBADHN CN(C)S(=O)(=O)N1CC(NC(=O)N[C@H]2CCN(Cc3ccccc3)C[C@H]2CO)C1 ZINC001470965267 1074589382 /nfs/dbraw/zinc/58/93/82/1074589382.db2.gz QSBDNYBUEGSWBO-WMZOPIPTSA-N 0 3 425.555 -0.341 20 0 IBADHN CN1CCN(C2CCN(C(=O)[C@H](CC(N)=O)NC(=O)Cc3cccc(F)c3)CC2)CC1 ZINC001471235713 1074593505 /nfs/dbraw/zinc/59/35/05/1074593505.db2.gz RFSGLZKYAMFJKN-IBGZPJMESA-N 0 3 433.528 -0.033 20 0 IBADHN CN1CCN(C2CCN(C(=O)[C@@H](CC(N)=O)NC(=O)Cc3cccc(F)c3)CC2)CC1 ZINC001471235735 1074593479 /nfs/dbraw/zinc/59/34/79/1074593479.db2.gz RFSGLZKYAMFJKN-LJQANCHMSA-N 0 3 433.528 -0.033 20 0 IBADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)NCc2cn(CC(F)(F)F)c(=O)[nH]c2=O)CC1 ZINC001471388196 1074594578 /nfs/dbraw/zinc/59/45/78/1074594578.db2.gz QONCGGDNLRJREC-CYBMUJFWSA-N 0 3 446.430 -0.041 20 0 IBADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)NCc2cn(CC(F)(F)F)c(=O)[nH]c2=O)CC1 ZINC001471388205 1074594661 /nfs/dbraw/zinc/59/46/61/1074594661.db2.gz QONCGGDNLRJREC-ZDUSSCGKSA-N 0 3 446.430 -0.041 20 0 IBADHN Cn1c2ncc(C(=O)N3CCC(C(N)=O)(N4CCCCC4)CC3)cc2c(=O)n(C)c1=O ZINC001471567517 1074597341 /nfs/dbraw/zinc/59/73/41/1074597341.db2.gz DNMBBOLZZXCNNV-UHFFFAOYSA-N 0 3 428.493 -0.422 20 0 IBADHN NC(=O)C1(N2CCCCC2)CCN(C(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)CC1 ZINC001471568742 1074597293 /nfs/dbraw/zinc/59/72/93/1074597293.db2.gz NKTMMFDSGSWRMM-GOSISDBHSA-N 0 3 435.569 -0.501 20 0 IBADHN NC(=O)C1(N2CCCCC2)CCN(C(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)CC1 ZINC001471568744 1074597366 /nfs/dbraw/zinc/59/73/66/1074597366.db2.gz NKTMMFDSGSWRMM-SFHVURJKSA-N 0 3 435.569 -0.501 20 0 IBADHN NC(=O)C1(N2CCCCC2)CCN(C(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)CC1 ZINC001471569376 1074597380 /nfs/dbraw/zinc/59/73/80/1074597380.db2.gz UKMHDXWQFXVULB-CVEARBPZSA-N 0 3 440.566 -0.646 20 0 IBADHN NC(=O)C1(N2CCCCC2)CCN(C(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)CC1 ZINC001471569377 1074597309 /nfs/dbraw/zinc/59/73/09/1074597309.db2.gz UKMHDXWQFXVULB-HOTGVXAUSA-N 0 3 440.566 -0.646 20 0 IBADHN NC(=O)C1(N2CCCCC2)CCN(C(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)CC1 ZINC001471569378 1074597388 /nfs/dbraw/zinc/59/73/88/1074597388.db2.gz UKMHDXWQFXVULB-HZPDHXFCSA-N 0 3 440.566 -0.646 20 0 IBADHN NC(=O)C1(N2CCCCC2)CCN(C(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)CC1 ZINC001471569379 1074597263 /nfs/dbraw/zinc/59/72/63/1074597263.db2.gz UKMHDXWQFXVULB-JKSUJKDBSA-N 0 3 440.566 -0.646 20 0 IBADHN CNS(=O)(=O)c1ccc(N2CCN(C(=O)[C@H]3CC(=O)N(CCN(C)C)C3)CC2)cc1 ZINC001471596170 1074597773 /nfs/dbraw/zinc/59/77/73/1074597773.db2.gz WWUZIMJBXPMSFU-INIZCTEOSA-N 0 3 437.566 -0.347 20 0 IBADHN CNS(=O)(=O)c1ccc(N2CCN(C(=O)[C@@H]3CC(=O)N(CCN(C)C)C3)CC2)cc1 ZINC001471596171 1074597615 /nfs/dbraw/zinc/59/76/15/1074597615.db2.gz WWUZIMJBXPMSFU-MRXNPFEDSA-N 0 3 437.566 -0.347 20 0 IBADHN COc1ccc(CC(=O)N2CC(N[C@H]3CCOC3)C2)cc1S(=O)(=O)N1CCOCC1 ZINC001472080828 1074605766 /nfs/dbraw/zinc/60/57/66/1074605766.db2.gz YPRBLAGWQVNPDQ-INIZCTEOSA-N 0 3 439.534 -0.152 20 0 IBADHN COc1ccc(CC(=O)N2CC(N[C@@H]3CCOC3)C2)cc1S(=O)(=O)N1CCOCC1 ZINC001472080829 1074605867 /nfs/dbraw/zinc/60/58/67/1074605867.db2.gz YPRBLAGWQVNPDQ-MRXNPFEDSA-N 0 3 439.534 -0.152 20 0 IBADHN CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N2CC[C@H]3[C@@H]2CCCN3CCO)c1 ZINC001472258203 1074607618 /nfs/dbraw/zinc/60/76/18/1074607618.db2.gz COCNZGVLPCCBAA-ROUUACIJSA-N 0 3 440.566 -0.064 20 0 IBADHN CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N2CC[C@H]3[C@H]2CCCN3CCO)c1 ZINC001472258204 1074607631 /nfs/dbraw/zinc/60/76/31/1074607631.db2.gz COCNZGVLPCCBAA-ZWKOTPCHSA-N 0 3 440.566 -0.064 20 0 IBADHN Cc1noc(C)c1S(=O)(=O)[N-]CC(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC001472578230 1074610881 /nfs/dbraw/zinc/61/08/81/1074610881.db2.gz LGVYGOZZQFMHHA-UHFFFAOYSA-N 0 3 429.543 -0.517 20 0 IBADHN CN(C)CCN(CC(=O)N(C)C)C(=O)CCC(=O)Nc1ccc2c(n1)n(C)c(=O)n2C ZINC001472598140 1074610869 /nfs/dbraw/zinc/61/08/69/1074610869.db2.gz ZXWDITACUKCLOK-UHFFFAOYSA-N 0 3 433.513 -0.531 20 0 IBADHN CN1CCC[C@@H]1CNC(=O)C1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC001472600831 1074611301 /nfs/dbraw/zinc/61/13/01/1074611301.db2.gz OYBVERMCTVAZRH-OAHLLOKOSA-N 0 3 444.579 -0.055 20 0 IBADHN CC(C)(C)OC(=O)N1CCN(CCN[C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)CC1 ZINC001473264346 1074612984 /nfs/dbraw/zinc/61/29/84/1074612984.db2.gz ONPPCYUMWWKVIW-DLBZAZTESA-N 0 3 432.587 -0.374 20 0 IBADHN CC(C)(C)OC(=O)N1CCN(CCN[C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)CC1 ZINC001473264347 1074613000 /nfs/dbraw/zinc/61/30/00/1074613000.db2.gz ONPPCYUMWWKVIW-IAGOWNOFSA-N 0 3 432.587 -0.374 20 0 IBADHN CC(C)(C)OC(=O)N1CCN(CCN[C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)CC1 ZINC001473264348 1074612870 /nfs/dbraw/zinc/61/28/70/1074612870.db2.gz ONPPCYUMWWKVIW-IRXDYDNUSA-N 0 3 432.587 -0.374 20 0 IBADHN CC(C)(C)OC(=O)N1CCN(CCN[C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)CC1 ZINC001473264349 1074613023 /nfs/dbraw/zinc/61/30/23/1074613023.db2.gz ONPPCYUMWWKVIW-SJORKVTESA-N 0 3 432.587 -0.374 20 0 IBADHN CN(C)[C@@H](CNC(=O)CN1CCN(S(=O)(=O)N=S(C)(C)=O)CC1)c1ccccc1 ZINC001473472416 1074614028 /nfs/dbraw/zinc/61/40/28/1074614028.db2.gz QIPCDALTOAPEMW-KRWDZBQOSA-N 0 3 445.611 -0.005 20 0 IBADHN CN(C)[C@H](CNC(=O)CN1CCN(S(=O)(=O)N=S(C)(C)=O)CC1)c1ccccc1 ZINC001473472421 1074614020 /nfs/dbraw/zinc/61/40/20/1074614020.db2.gz QIPCDALTOAPEMW-QGZVFWFLSA-N 0 3 445.611 -0.005 20 0 IBADHN CCN(C(=O)CN1CCN2C[C@H](O)C[C@H]2C1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC001473595628 1074616100 /nfs/dbraw/zinc/61/61/00/1074616100.db2.gz JOISGUISGJCKCK-DLBZAZTESA-N 0 3 442.520 -0.317 20 0 IBADHN CCCCn1c(N)c(N(CC)C(=O)CN2CCN(CCN(C)C)C(=O)C2)c(=O)[nH]c1=O ZINC001473607057 1074356199 /nfs/dbraw/zinc/35/61/99/1074356199.db2.gz FEHHNIOOYRLGRQ-UHFFFAOYSA-N 0 3 437.545 -0.610 20 0 IBADHN COc1ccc(NC(=O)CN2CCN(CCN(C)C)C(=O)C2)cc1S(=O)(=O)N(C)C ZINC001473607428 1074356508 /nfs/dbraw/zinc/35/65/08/1074356508.db2.gz QLNYCWGBQNLAFV-UHFFFAOYSA-N 0 3 441.554 -0.410 20 0 IBADHN CN1CCN(C)CCN(CC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)CC1 ZINC001473825634 1074618516 /nfs/dbraw/zinc/61/85/16/1074618516.db2.gz AUXIIORFUOVOEI-UHFFFAOYSA-N 0 3 437.610 -0.160 20 0 IBADHN CN(C)CCCS(=O)(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 ZINC001474964320 1074623542 /nfs/dbraw/zinc/62/35/42/1074623542.db2.gz IWQPCLDSFZICCH-UHFFFAOYSA-N 0 3 446.551 -0.395 20 0 IBADHN CN1CCC(CNS(=O)(=O)c2ccc(S(N)(=O)=O)cc2)(N2CCOCC2)CC1 ZINC001475390122 1074628166 /nfs/dbraw/zinc/62/81/66/1074628166.db2.gz KKLJTHUZIDKXKK-UHFFFAOYSA-N 0 3 432.568 -0.591 20 0 IBADHN CNS(=O)(=O)c1ccccc1S(=O)(=O)NCC1(N2CCOCC2)CCN(C)CC1 ZINC001475392024 1074298852 /nfs/dbraw/zinc/29/88/52/1074298852.db2.gz WKVXDWCTJDOLPB-UHFFFAOYSA-N 0 3 446.595 -0.330 20 0 IBADHN C[C@@H]1C(=O)N(CCN(C)C)CN1S(=O)(=O)c1ccccc1S(=O)(=O)NC1CC1 ZINC001475422914 1074628633 /nfs/dbraw/zinc/62/86/33/1074628633.db2.gz DAHHNHZCLYRNKL-CYBMUJFWSA-N 0 3 430.552 -0.132 20 0 IBADHN C[C@H]1C(=O)N(CCN(C)C)CN1S(=O)(=O)c1ccccc1S(=O)(=O)NC1CC1 ZINC001475422915 1074628479 /nfs/dbraw/zinc/62/84/79/1074628479.db2.gz DAHHNHZCLYRNKL-ZDUSSCGKSA-N 0 3 430.552 -0.132 20 0 IBADHN C[C@@H]1C(=O)N(CCN(C)C)CN1S(=O)(=O)c1cnn(C)c1I ZINC001475424297 1074628649 /nfs/dbraw/zinc/62/86/49/1074628649.db2.gz WYSAEKHYNAMFBX-SECBINFHSA-N 0 3 441.295 -0.235 20 0 IBADHN C[C@H]1C(=O)N(CCN(C)C)CN1S(=O)(=O)c1cnn(C)c1I ZINC001475424298 1074628563 /nfs/dbraw/zinc/62/85/63/1074628563.db2.gz WYSAEKHYNAMFBX-VIFPVBQESA-N 0 3 441.295 -0.235 20 0 IBADHN COC(=O)c1cc(C(=O)OC)cc(S(=O)(=O)N2CCN(CCN(C)C)C(=O)C2)c1 ZINC001475455556 1074629029 /nfs/dbraw/zinc/62/90/29/1074629029.db2.gz UUSJWEVQIUNQRV-UHFFFAOYSA-N 0 3 427.479 -0.346 20 0 IBADHN CN(C)CCN1CCN(S(=O)(=O)c2cc(C(=O)NCC(F)(F)F)n(C)c2)CC1=O ZINC001475455976 1074629000 /nfs/dbraw/zinc/62/90/00/1074629000.db2.gz UYFCNJCWUVSPBJ-UHFFFAOYSA-N 0 3 439.460 -0.288 20 0 IBADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCCN(C(=O)CNC(C)=O)CC1 ZINC001475562844 1074632270 /nfs/dbraw/zinc/63/22/70/1074632270.db2.gz VALANUHIRQZZSC-GFCCVEGCSA-N 0 3 431.433 -0.129 20 0 IBADHN CCOC(=O)CC(C(F)(F)F)S(=O)(=O)N1CCCN(C(=O)CNC(C)=O)CC1 ZINC001475562845 1074632331 /nfs/dbraw/zinc/63/23/31/1074632331.db2.gz VALANUHIRQZZSC-LBPRGKRZSA-N 0 3 431.433 -0.129 20 0 IBADHN COCCN(C)CCN1C[C@H](NS(=O)(=O)c2ccc3c(c2)C(=O)N(C)C3=O)CC1=O ZINC001475589100 1074632849 /nfs/dbraw/zinc/63/28/49/1074632849.db2.gz BETATMSYFQIAHK-CYBMUJFWSA-N 0 3 438.506 -0.630 20 0 IBADHN COCCN(C)CCN1C[C@@H](NS(=O)(=O)c2ccc3c(c2)C(=O)N(C)C3=O)CC1=O ZINC001475589101 1074632836 /nfs/dbraw/zinc/63/28/36/1074632836.db2.gz BETATMSYFQIAHK-ZDUSSCGKSA-N 0 3 438.506 -0.630 20 0 IBADHN COCCN(C)CCN1C[C@H](NS(=O)(=O)N2CCC[C@H]2C(=O)OC(C)(C)C)CC1=O ZINC001475589342 1074632786 /nfs/dbraw/zinc/63/27/86/1074632786.db2.gz FZXGXTRSUSAUKO-CVEARBPZSA-N 0 3 448.586 -0.194 20 0 IBADHN COCCN(C)CCN1C[C@@H](NS(=O)(=O)N2CCC[C@H]2C(=O)OC(C)(C)C)CC1=O ZINC001475589343 1074632795 /nfs/dbraw/zinc/63/27/95/1074632795.db2.gz FZXGXTRSUSAUKO-HOTGVXAUSA-N 0 3 448.586 -0.194 20 0 IBADHN COCCN(C)CCN1C[C@@H](NS(=O)(=O)c2c[nH]c(C(=O)N3CCCC3)c2)CC1=O ZINC001475589629 1074633176 /nfs/dbraw/zinc/63/31/76/1074633176.db2.gz LSRRLFFMTOBNRE-HNNXBMFYSA-N 0 3 441.554 -0.292 20 0 IBADHN COCCN(C)CCN1C[C@H](NS(=O)(=O)c2c[nH]c(C(=O)N3CCCC3)c2)CC1=O ZINC001475589631 1074633261 /nfs/dbraw/zinc/63/32/61/1074633261.db2.gz LSRRLFFMTOBNRE-OAHLLOKOSA-N 0 3 441.554 -0.292 20 0 IBADHN COCCN(C)CCN1C[C@@H](NS(=O)(=O)C2CN(C(=O)C3CCCC3)C2)CC1=O ZINC001475590247 1074303617 /nfs/dbraw/zinc/30/36/17/1074303617.db2.gz URDSJABDYQBPHD-INIZCTEOSA-N 0 3 430.571 -0.514 20 0 IBADHN COCCN(C)CCN1C[C@H](NS(=O)(=O)C2CN(C(=O)C3CCCC3)C2)CC1=O ZINC001475590253 1074303596 /nfs/dbraw/zinc/30/35/96/1074303596.db2.gz URDSJABDYQBPHD-MRXNPFEDSA-N 0 3 430.571 -0.514 20 0 IBADHN CN(C)CCN(CC(=O)N(C)C)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cn1 ZINC001476473680 1074641869 /nfs/dbraw/zinc/64/18/69/1074641869.db2.gz KOKDDTLUFCZABN-UHFFFAOYSA-N 0 3 442.542 -0.414 20 0 IBADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cn1 ZINC001476473753 1074641943 /nfs/dbraw/zinc/64/19/43/1074641943.db2.gz MBMXLSPNTIRRSH-AWEZNQCLSA-N 0 3 440.526 -0.314 20 0 IBADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cn1 ZINC001476473754 1074641855 /nfs/dbraw/zinc/64/18/55/1074641855.db2.gz MBMXLSPNTIRRSH-CQSZACIVSA-N 0 3 440.526 -0.314 20 0 IBADHN CNS(=O)(=O)N1CCN(C(=O)NCCCN2CCN(Cc3ccccc3)CC2)CC1 ZINC001477319614 1074643807 /nfs/dbraw/zinc/64/38/07/1074643807.db2.gz KCKJTBTZRAHMFU-UHFFFAOYSA-N 0 3 438.598 -0.014 20 0 IBADHN CN(C)CCN1CCN(C(=O)NCC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)CC1=O ZINC001477549351 1074645320 /nfs/dbraw/zinc/64/53/20/1074645320.db2.gz NDTTVBMHEUBRMC-UHFFFAOYSA-N 0 3 440.545 -0.519 20 0 IBADHN C[C@H]1C(=O)N(CCN(C)C)CN1C(=O)NCCC(=O)N1CCN(c2ccccn2)CC1 ZINC001477661621 1074646034 /nfs/dbraw/zinc/64/60/34/1074646034.db2.gz XKMPFWKBPZCZDD-KRWDZBQOSA-N 0 3 431.541 -0.118 20 0 IBADHN C[C@@H]1C(=O)N(CCN(C)C)CN1C(=O)NCCC(=O)N1CCN(c2ccccn2)CC1 ZINC001477661622 1074646110 /nfs/dbraw/zinc/64/61/10/1074646110.db2.gz XKMPFWKBPZCZDD-QGZVFWFLSA-N 0 3 431.541 -0.118 20 0 IBADHN CN(C)CCN(CC(=O)N(C)C)C(=O)NCCC(=O)N1CCN(c2ncccn2)CC1 ZINC001477752829 1074647187 /nfs/dbraw/zinc/64/71/87/1074647187.db2.gz BLUHNBXBGGVWCG-UHFFFAOYSA-N 0 3 434.545 -0.823 20 0 IBADHN CCN1CCN(C[C@@H](C)CNC(=O)N2CCN(S(=O)(=O)c3cc[nH]n3)CC2)CC1 ZINC001477888310 1074648775 /nfs/dbraw/zinc/64/87/75/1074648775.db2.gz YVDMGLQHBIMZBE-INIZCTEOSA-N 0 3 427.575 -0.301 20 0 IBADHN CCN1CCN(C[C@H](C)CNC(=O)N2CCN(S(=O)(=O)c3cc[nH]n3)CC2)CC1 ZINC001477888313 1074648790 /nfs/dbraw/zinc/64/87/90/1074648790.db2.gz YVDMGLQHBIMZBE-MRXNPFEDSA-N 0 3 427.575 -0.301 20 0 IBADHN CC(=O)N1CCN(C(=O)CCNC(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)CC1 ZINC001477970714 1074649224 /nfs/dbraw/zinc/64/92/24/1074649224.db2.gz QFECFFYQAUBYLV-UHFFFAOYSA-N 0 3 436.557 -0.417 20 0 IBADHN COc1ccc(S(=O)(=O)N2CC(NC(=O)N3CCN(CCN(C)C)C(=O)C3)C2)cc1 ZINC001478601988 1074652356 /nfs/dbraw/zinc/65/23/56/1074652356.db2.gz YVEJQGVAEUWVPL-UHFFFAOYSA-N 0 3 439.538 -0.517 20 0 IBADHN O=C(NCC1(O)CCN(Cc2ccccc2)CC1)NC[C@@]12COCCN1C(=O)COC2 ZINC001479133345 1074658930 /nfs/dbraw/zinc/65/89/30/1074658930.db2.gz YJDBXJKGEHAGFP-NRFANRHFSA-N 0 3 432.521 -0.060 20 0 IBADHN O=C(NCC1(O)CCN(Cc2ccccc2)CC1)NC[C@]12COCCN1C(=O)COC2 ZINC001479133347 1074658996 /nfs/dbraw/zinc/65/89/96/1074658996.db2.gz YJDBXJKGEHAGFP-OAQYLSRUSA-N 0 3 432.521 -0.060 20 0 IBADHN O=C(CNC(=O)N1CCN(C(=O)CN2CCCC2)CC1)NCC(=O)NCc1ccccc1 ZINC001479283694 1074661196 /nfs/dbraw/zinc/66/11/96/1074661196.db2.gz LOUXBVMYJAWCIY-UHFFFAOYSA-N 0 3 444.536 -0.631 20 0 IBADHN CCN(C)CCC(=O)N1CCN(C(=O)[C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)[C@H]2CS(=O)(=O)C[C@H]21 ZINC001490544872 1074416547 /nfs/dbraw/zinc/41/65/47/1074416547.db2.gz CUXJTPDLNOLNRN-WZSRKYPNSA-N 0 3 425.551 -0.412 20 0 IBADHN Cc1nnc(N2CCN(CC(=O)N(C)C)CC2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001492915419 1074409833 /nfs/dbraw/zinc/40/98/33/1074409833.db2.gz HKWVVKHHYYYFBQ-GOSISDBHSA-N 0 3 434.589 -0.261 20 0 IBADHN Cc1nnc(N2CCN(CC(=O)N(C)C)CC2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001492915420 1074409922 /nfs/dbraw/zinc/40/99/22/1074409922.db2.gz HKWVVKHHYYYFBQ-SFHVURJKSA-N 0 3 434.589 -0.261 20 0 IBADHN CCc1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1CCN1CCN(C(C)=O)CC1 ZINC001499125799 1074673889 /nfs/dbraw/zinc/67/38/89/1074673889.db2.gz DVPPYEYKWHKAKX-IBGZPJMESA-N 0 3 446.600 -0.253 20 0 IBADHN CCc1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1CCN1CCN(C(C)=O)CC1 ZINC001499125800 1074673988 /nfs/dbraw/zinc/67/39/88/1074673988.db2.gz DVPPYEYKWHKAKX-LJQANCHMSA-N 0 3 446.600 -0.253 20 0 IBADHN CCc1nnc(N2CCN(C(=O)[C@@H]3CCCN3C)CC2)n1CCNS(=O)(=O)CC ZINC001499126176 1074673863 /nfs/dbraw/zinc/67/38/63/1074673863.db2.gz QNXUZANUIOBAMD-HNNXBMFYSA-N 0 3 427.575 -0.477 20 0 IBADHN CCc1nnc(N2CCN(C(=O)[C@H]3CCCN3C)CC2)n1CCNS(=O)(=O)CC ZINC001499126177 1074674039 /nfs/dbraw/zinc/67/40/39/1074674039.db2.gz QNXUZANUIOBAMD-OAHLLOKOSA-N 0 3 427.575 -0.477 20 0 IBADHN CCN(C)C(=O)Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001501389517 1074680864 /nfs/dbraw/zinc/68/08/64/1074680864.db2.gz UXIMDCNPBNGHOL-UHFFFAOYSA-N 0 3 448.572 -0.361 20 0 IBADHN CCN(CC)CC(=O)N1CCN(c2nnc(C(=O)NC(C)C)n2C[C@H]2CCC(=O)N2)CC1 ZINC001501898785 1074683401 /nfs/dbraw/zinc/68/34/01/1074683401.db2.gz DMFGTBGONLSXLC-MRXNPFEDSA-N 0 3 448.572 -0.315 20 0 IBADHN CCN(CC)CC(=O)N1CCN(c2nnc(C(=O)NC(C)C)n2Cc2nncn2C)CC1 ZINC001501900010 1074683331 /nfs/dbraw/zinc/68/33/31/1074683331.db2.gz VOPWGLWHNDVHRJ-UHFFFAOYSA-N 0 3 446.560 -0.417 20 0 IBADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3cnccn3)n2CCC(=O)NC)CC1 ZINC001501903592 1074683383 /nfs/dbraw/zinc/68/33/83/1074683383.db2.gz BSAMWDQYDAMRDI-UHFFFAOYSA-N 0 3 429.529 -0.138 20 0 IBADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@H]3CCOC3)n2Cc2nncn2C)CC1 ZINC001501906841 1074683361 /nfs/dbraw/zinc/68/33/61/1074683361.db2.gz OYCPDSBDCBMBOI-INIZCTEOSA-N 0 3 431.545 -0.051 20 0 IBADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@@H]3CCOC3)n2Cc2nncn2C)CC1 ZINC001501906842 1074683409 /nfs/dbraw/zinc/68/34/09/1074683409.db2.gz OYCPDSBDCBMBOI-MRXNPFEDSA-N 0 3 431.545 -0.051 20 0 IBADHN CCN1CCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)CCNS(C)(=O)=O ZINC001502280796 1074686372 /nfs/dbraw/zinc/68/63/72/1074686372.db2.gz XAVRGVAMFXIOLA-HNNXBMFYSA-N 0 3 427.575 -0.016 20 0 IBADHN CCN1CCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)CCNS(C)(=O)=O ZINC001502280797 1074686329 /nfs/dbraw/zinc/68/63/29/1074686329.db2.gz XAVRGVAMFXIOLA-OAHLLOKOSA-N 0 3 427.575 -0.016 20 0 IBADHN CCN1CCN([C@H](C)Cn2c([C@H]3CCOC3)nnc2N2CCO[C@@H](C(=O)NC)C2)CC1 ZINC001502314147 1074687984 /nfs/dbraw/zinc/68/79/84/1074687984.db2.gz QLSGQTHIFDVMJD-FGTMMUONSA-N 0 3 435.573 -0.241 20 0 IBADHN CCN1CCN([C@H](C)Cn2c([C@@H]3CCOC3)nnc2N2CCO[C@H](C(=O)NC)C2)CC1 ZINC001502314148 1074687895 /nfs/dbraw/zinc/68/78/95/1074687895.db2.gz QLSGQTHIFDVMJD-KURKYZTESA-N 0 3 435.573 -0.241 20 0 IBADHN CCN1CCN([C@H](C)Cn2c([C@@H]3CCOC3)nnc2N2CCO[C@@H](C(=O)NC)C2)CC1 ZINC001502314149 1074688056 /nfs/dbraw/zinc/68/80/56/1074688056.db2.gz QLSGQTHIFDVMJD-KZNAEPCWSA-N 0 3 435.573 -0.241 20 0 IBADHN CCN1CCN([C@H](C)Cn2c([C@H]3CCOC3)nnc2N2CCO[C@H](C(=O)NC)C2)CC1 ZINC001502314150 1074688005 /nfs/dbraw/zinc/68/80/05/1074688005.db2.gz QLSGQTHIFDVMJD-SQNIBIBYSA-N 0 3 435.573 -0.241 20 0 IBADHN CCN1CCN([C@H]2CCN(c3nnc(CC4CC4)n3CCS(=O)(=O)NC)C2)CC1 ZINC001502335909 1074688440 /nfs/dbraw/zinc/68/84/40/1074688440.db2.gz SFWYKBPSNICFPM-KRWDZBQOSA-N 0 3 425.603 -0.004 20 0 IBADHN CCN1CCN([C@@H]2CCN(c3nnc(CC4CC4)n3CCS(=O)(=O)NC)C2)CC1 ZINC001502335911 1074688679 /nfs/dbraw/zinc/68/86/79/1074688679.db2.gz SFWYKBPSNICFPM-QGZVFWFLSA-N 0 3 425.603 -0.004 20 0 IBADHN CCN1CCN(C[C@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCN(C)C(=O)C2)CC1 ZINC001502338674 1074688612 /nfs/dbraw/zinc/68/86/12/1074688612.db2.gz XZTLQBOXGOZWIY-KRWDZBQOSA-N 0 3 434.589 -0.032 20 0 IBADHN CCN1CCN(C[C@@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCN(C)C(=O)C2)CC1 ZINC001502338675 1074688634 /nfs/dbraw/zinc/68/86/34/1074688634.db2.gz XZTLQBOXGOZWIY-QGZVFWFLSA-N 0 3 434.589 -0.032 20 0 IBADHN CCN1CCN(CCCn2c(C(=O)NC(C)C)nnc2N2CCN(C(=O)NC)CC2)CC1 ZINC001502352518 1074688531 /nfs/dbraw/zinc/68/85/31/1074688531.db2.gz FNJXLUNOLAUBQN-UHFFFAOYSA-N 0 3 449.604 -0.095 20 0 IBADHN CCN1CCN(CCCn2c(-c3cnccn3)nnc2N2CCS(=O)(=O)CC2)CC1 ZINC001502356838 1074688692 /nfs/dbraw/zinc/68/86/92/1074688692.db2.gz SMTHHOXEFVTWFR-UHFFFAOYSA-N 0 3 434.570 -0.003 20 0 IBADHN CCN1CCN(CCCn2c([C@@H]3CCC(=O)N3)nnc2N(C)CCS(C)(=O)=O)CC1 ZINC001502357182 1074688645 /nfs/dbraw/zinc/68/86/45/1074688645.db2.gz YIBAEODRSILAFY-INIZCTEOSA-N 0 3 441.602 -0.262 20 0 IBADHN CCN1CCN(CCCn2c([C@H]3CCC(=O)N3)nnc2N(C)CCS(C)(=O)=O)CC1 ZINC001502357183 1074688587 /nfs/dbraw/zinc/68/85/87/1074688587.db2.gz YIBAEODRSILAFY-MRXNPFEDSA-N 0 3 441.602 -0.262 20 0 IBADHN CCN1CCN(CCCn2c(CN3CCCC3=O)nnc2N2CCN(C)C(=O)C2)CC1 ZINC001502360919 1074688665 /nfs/dbraw/zinc/68/86/65/1074688665.db2.gz USZIHBHCAOVORQ-UHFFFAOYSA-N 0 3 432.573 -0.294 20 0 IBADHN CCNC(=O)CN1CCN(c2nnc(CN3CCCC3=O)n2CCN2CC=CCC2)CC1 ZINC001502434630 1074690737 /nfs/dbraw/zinc/69/07/37/1074690737.db2.gz GQZVQIQYERZNBE-UHFFFAOYSA-N 0 3 444.584 -0.080 20 0 IBADHN CCNC(=O)N1CCN(c2nnc(CN3CCCC3=O)n2CCN(C)CCOC)CC1 ZINC001502459357 1074691570 /nfs/dbraw/zinc/69/15/70/1074691570.db2.gz XTTSQVXMTQTLAL-UHFFFAOYSA-N 0 3 436.561 -0.170 20 0 IBADHN CCOCc1nnc(N2CCN(C(=O)CN3CCCC3)CC2)n1CCS(C)(=O)=O ZINC001503099756 1074699506 /nfs/dbraw/zinc/69/95/06/1074699506.db2.gz PGVYTISVPXEFQY-UHFFFAOYSA-N 0 3 428.559 -0.396 20 0 IBADHN CCS(=O)(=O)NCCn1c(C)nnc1N1C[C@@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 ZINC001503276559 1074702327 /nfs/dbraw/zinc/70/23/27/1074702327.db2.gz AWWVDSTXOGQCLB-CRAIPNDOSA-N 0 3 441.602 -0.095 20 0 IBADHN CCS(=O)(=O)NCCn1c(C)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 ZINC001503276560 1074702615 /nfs/dbraw/zinc/70/26/15/1074702615.db2.gz AWWVDSTXOGQCLB-MAUKXSAKSA-N 0 3 441.602 -0.095 20 0 IBADHN CCS(=O)(=O)NCCn1c(C)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 ZINC001503276561 1074702665 /nfs/dbraw/zinc/70/26/65/1074702665.db2.gz AWWVDSTXOGQCLB-QAPCUYQASA-N 0 3 441.602 -0.095 20 0 IBADHN CCS(=O)(=O)NCCn1c(C)nnc1N1C[C@H](N2CCCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001503276562 1074702571 /nfs/dbraw/zinc/70/25/71/1074702571.db2.gz AWWVDSTXOGQCLB-YJBOKZPZSA-N 0 3 441.602 -0.095 20 0 IBADHN CN(C)C(=O)[C@@H]1CCCN1CCCn1c(-c2cnccn2)nnc1N1CCN(C)C(=O)C1 ZINC001503361630 1074705153 /nfs/dbraw/zinc/70/51/53/1074705153.db2.gz XRUHKIXZOIFWIW-KRWDZBQOSA-N 0 3 441.540 -0.044 20 0 IBADHN CN(C)C(=O)[C@H]1CCCN1CCCn1c(-c2cnccn2)nnc1N1CCN(C)C(=O)C1 ZINC001503361661 1074705216 /nfs/dbraw/zinc/70/52/16/1074705216.db2.gz XRUHKIXZOIFWIW-QGZVFWFLSA-N 0 3 441.540 -0.044 20 0 IBADHN CN(C)C(=O)[C@@H]1CCCN1CCCn1c(C(=O)N2CCCC2)nnc1N1CCNC(=O)C1 ZINC001503361810 1074705263 /nfs/dbraw/zinc/70/52/63/1074705263.db2.gz ZEIQEEJSICUQGW-INIZCTEOSA-N 0 3 446.556 -0.607 20 0 IBADHN CN(C)C(=O)[C@H]1CCCN1CCCn1c(C(=O)N2CCCC2)nnc1N1CCNC(=O)C1 ZINC001503361880 1074705298 /nfs/dbraw/zinc/70/52/98/1074705298.db2.gz ZEIQEEJSICUQGW-MRXNPFEDSA-N 0 3 446.556 -0.607 20 0 IBADHN CN(C)C(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001503369292 1074705763 /nfs/dbraw/zinc/70/57/63/1074705763.db2.gz VSLQRDOEGQODKR-INIZCTEOSA-N 0 3 446.556 -0.548 20 0 IBADHN CN(C)C(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001503369293 1074705493 /nfs/dbraw/zinc/70/54/93/1074705493.db2.gz VSLQRDOEGQODKR-MRXNPFEDSA-N 0 3 446.556 -0.548 20 0 IBADHN CN(C)C(=O)CCn1c(-c2cnccn2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001503369596 1074705637 /nfs/dbraw/zinc/70/56/37/1074705637.db2.gz DYYRGHHEPHYTHJ-KRWDZBQOSA-N 0 3 441.540 -0.044 20 0 IBADHN CN(C)C(=O)CCn1c(-c2cnccn2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001503369597 1074705470 /nfs/dbraw/zinc/70/54/70/1074705470.db2.gz DYYRGHHEPHYTHJ-QGZVFWFLSA-N 0 3 441.540 -0.044 20 0 IBADHN CN(C)C(=O)CCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001503369599 1074705662 /nfs/dbraw/zinc/70/56/62/1074705662.db2.gz FCGBCEUFGJFIDW-UHFFFAOYSA-N 0 3 443.556 -0.099 20 0 IBADHN CN1CCC[C@H]1C(=O)N1CCN(c2nnc([C@@H]3CCOC3)n2CCS(C)(=O)=O)CC1 ZINC001503679078 1074714336 /nfs/dbraw/zinc/71/43/36/1074714336.db2.gz AGYDTZGWBNVYAB-CVEARBPZSA-N 0 3 440.570 -0.431 20 0 IBADHN CN1CCC[C@H]1C(=O)N1CCN(c2nnc([C@H]3CCOC3)n2CCS(C)(=O)=O)CC1 ZINC001503679080 1074714133 /nfs/dbraw/zinc/71/41/33/1074714133.db2.gz AGYDTZGWBNVYAB-HOTGVXAUSA-N 0 3 440.570 -0.431 20 0 IBADHN CN1CCC[C@@H]1C(=O)N1CCN(c2nnc([C@@H]3CCOC3)n2CCS(C)(=O)=O)CC1 ZINC001503679081 1074714222 /nfs/dbraw/zinc/71/42/22/1074714222.db2.gz AGYDTZGWBNVYAB-HZPDHXFCSA-N 0 3 440.570 -0.431 20 0 IBADHN CN1CCC[C@@H]1C(=O)N1CCN(c2nnc([C@H]3CCOC3)n2CCS(C)(=O)=O)CC1 ZINC001503679082 1074714356 /nfs/dbraw/zinc/71/43/56/1074714356.db2.gz AGYDTZGWBNVYAB-JKSUJKDBSA-N 0 3 440.570 -0.431 20 0 IBADHN CN1CCC[C@H]1C(=O)N1CCN(c2nnc(C(C)(C)C)n2CCNS(C)(=O)=O)CC1 ZINC001503679499 1074714391 /nfs/dbraw/zinc/71/43/91/1074714391.db2.gz FCYOSUBKOADBHJ-HNNXBMFYSA-N 0 3 441.602 -0.132 20 0 IBADHN CN1CCC[C@@H]1C(=O)N1CCN(c2nnc(C(C)(C)C)n2CCNS(C)(=O)=O)CC1 ZINC001503679501 1074714312 /nfs/dbraw/zinc/71/43/12/1074714312.db2.gz FCYOSUBKOADBHJ-OAHLLOKOSA-N 0 3 441.602 -0.132 20 0 IBADHN CN1CCN(CCn2c(C(=O)N3CCCC3)nnc2N2CCNC(=O)CC2)CC1(C)C ZINC001503684273 1074714832 /nfs/dbraw/zinc/71/48/32/1074714832.db2.gz BFGWHBINSNWIIW-UHFFFAOYSA-N 0 3 432.573 -0.134 20 0 IBADHN CNC(=O)[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCCN2CCCO)CCO1 ZINC001503770469 1074718611 /nfs/dbraw/zinc/71/86/11/1074718611.db2.gz WCDMVEIPSUFOTJ-DLBZAZTESA-N 0 3 449.556 -0.688 20 0 IBADHN CNC(=O)[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCCN2CCCO)CCO1 ZINC001503770473 1074718495 /nfs/dbraw/zinc/71/84/95/1074718495.db2.gz WCDMVEIPSUFOTJ-IAGOWNOFSA-N 0 3 449.556 -0.688 20 0 IBADHN CNC(=O)[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCCN2CCCO)CCO1 ZINC001503770475 1074718573 /nfs/dbraw/zinc/71/85/73/1074718573.db2.gz WCDMVEIPSUFOTJ-IRXDYDNUSA-N 0 3 449.556 -0.688 20 0 IBADHN CNC(=O)[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCCN2CCCO)CCO1 ZINC001503770477 1074718377 /nfs/dbraw/zinc/71/83/77/1074718377.db2.gz WCDMVEIPSUFOTJ-SJORKVTESA-N 0 3 449.556 -0.688 20 0 IBADHN CNC(=O)[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(C)(C)CN(C)C)CCO1 ZINC001503776651 1074719144 /nfs/dbraw/zinc/71/91/44/1074719144.db2.gz FCDQZWFIQZULRB-CABCVRRESA-N 0 3 442.586 -0.281 20 0 IBADHN CNC(=O)[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(C)(C)CN(C)C)CCO1 ZINC001503776655 1074719286 /nfs/dbraw/zinc/71/92/86/1074719286.db2.gz FCDQZWFIQZULRB-GJZGRUSLSA-N 0 3 442.586 -0.281 20 0 IBADHN CNC(=O)[C@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(C)(C)CN(C)C)CCO1 ZINC001503776658 1074719220 /nfs/dbraw/zinc/71/92/20/1074719220.db2.gz FCDQZWFIQZULRB-HUUCEWRRSA-N 0 3 442.586 -0.281 20 0 IBADHN CNC(=O)[C@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(C)(C)CN(C)C)CCO1 ZINC001503776661 1074719265 /nfs/dbraw/zinc/71/92/65/1074719265.db2.gz FCDQZWFIQZULRB-LSDHHAIUSA-N 0 3 442.586 -0.281 20 0 IBADHN CNC(=O)N1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H]2CCCN2CCCO)CC1 ZINC001503819568 1074723355 /nfs/dbraw/zinc/72/33/55/1074723355.db2.gz GSFVDCSFIYRINN-KRWDZBQOSA-N 0 3 448.572 -0.178 20 0 IBADHN CNC(=O)N1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H]2CCCN2CCCO)CC1 ZINC001503819569 1074723408 /nfs/dbraw/zinc/72/34/08/1074723408.db2.gz GSFVDCSFIYRINN-QGZVFWFLSA-N 0 3 448.572 -0.178 20 0 IBADHN COCCN(C)CCN1C[C@H](NC(=O)C[C@@](O)(c2nccn2C)C(F)(F)F)CC1=O ZINC001648837213 1070890627 /nfs/dbraw/zinc/89/06/27/1070890627.db2.gz NEVWPXKFPIFRCX-CXAGYDPISA-N 0 3 435.447 -0.145 20 0 IBADHN COCCN(C)CCN1C[C@H](NC(=O)C[C@](O)(c2nccn2C)C(F)(F)F)CC1=O ZINC001648837218 1070890858 /nfs/dbraw/zinc/89/08/58/1070890858.db2.gz NEVWPXKFPIFRCX-DYVFJYSZSA-N 0 3 435.447 -0.145 20 0 IBADHN COCCN(C)CCN1C[C@@H](NC(=O)C[C@](O)(c2nccn2C)C(F)(F)F)CC1=O ZINC001648837219 1070890494 /nfs/dbraw/zinc/89/04/94/1070890494.db2.gz NEVWPXKFPIFRCX-GUYCJALGSA-N 0 3 435.447 -0.145 20 0 IBADHN COCCN(C)CCN1C[C@@H](NC(=O)C[C@@](O)(c2nccn2C)C(F)(F)F)CC1=O ZINC001648837220 1070890542 /nfs/dbraw/zinc/89/05/42/1070890542.db2.gz NEVWPXKFPIFRCX-SUMWQHHRSA-N 0 3 435.447 -0.145 20 0 IBADHN Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CCC(N2CCN(C)CC2)CC1 ZINC001648950652 1071598424 /nfs/dbraw/zinc/59/84/24/1071598424.db2.gz AUIGOFYDNSRMHO-UHFFFAOYSA-N 0 3 439.582 -0.102 20 0 IBADHN CN1CCN(C2CCN(C(=O)C3=NN([C@H]4CCS(=O)(=O)C4)C(=O)CC3)CC2)CC1 ZINC001648951095 1071603396 /nfs/dbraw/zinc/60/33/96/1071603396.db2.gz HELDVIISBRMUMF-INIZCTEOSA-N 0 3 425.555 -0.610 20 0 IBADHN CN1CCN(C2CCN(C(=O)C3=NN([C@@H]4CCS(=O)(=O)C4)C(=O)CC3)CC2)CC1 ZINC001648951099 1071603937 /nfs/dbraw/zinc/60/39/37/1071603937.db2.gz HELDVIISBRMUMF-MRXNPFEDSA-N 0 3 425.555 -0.610 20 0 IBADHN Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CCC(N2CCN(C)CC2)CC1 ZINC001648954757 1071771611 /nfs/dbraw/zinc/77/16/11/1071771611.db2.gz BKLUCYLYFHJMLT-HNNXBMFYSA-N 0 3 426.587 -0.058 20 0 IBADHN Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N1CCC(N2CCN(C)CC2)CC1 ZINC001648954760 1071771758 /nfs/dbraw/zinc/77/17/58/1071771758.db2.gz BKLUCYLYFHJMLT-OAHLLOKOSA-N 0 3 426.587 -0.058 20 0 IBADHN COCCN(C)CCN1C[C@@H](NS(=O)(=O)c2cnn3c2OCC(C)(C)C3)CC1=O ZINC001670969903 1073123312 /nfs/dbraw/zinc/12/33/12/1073123312.db2.gz RFPPEEKQHWGLTA-AWEZNQCLSA-N 0 3 429.543 -0.241 20 0 IBADHN COCCN(C)CCN1C[C@H](NS(=O)(=O)c2cnn3c2OCC(C)(C)C3)CC1=O ZINC001670969904 1073123258 /nfs/dbraw/zinc/12/32/58/1073123258.db2.gz RFPPEEKQHWGLTA-CQSZACIVSA-N 0 3 429.543 -0.241 20 0 IBADHN COCCN(C)CCN1C[C@@H](NS(=O)(=O)c2ccc3c(c2)CS(=O)(=O)C3)CC1=O ZINC001670970126 1073123304 /nfs/dbraw/zinc/12/33/04/1073123304.db2.gz WSLGBHCIVQHCDG-INIZCTEOSA-N 0 3 445.563 -0.428 20 0 IBADHN COCCN(C)CCN1C[C@H](NS(=O)(=O)c2ccc3c(c2)CS(=O)(=O)C3)CC1=O ZINC001670970127 1073123325 /nfs/dbraw/zinc/12/33/25/1073123325.db2.gz WSLGBHCIVQHCDG-MRXNPFEDSA-N 0 3 445.563 -0.428 20 0 IBADHN CN1CCN(S(=O)(=O)N2CCN(C(=O)NC[C@H]3CCN3C3CCCC3)CC2)CC1 ZINC001687255197 1070966795 /nfs/dbraw/zinc/96/67/95/1070966795.db2.gz HVBXEPGUVFMMKT-GOSISDBHSA-N 0 3 428.603 -0.177 20 0 IBADHN CN1CCN(S(=O)(=O)N2CCN(C(=O)NC[C@@H]3CCN3C3CCCC3)CC2)CC1 ZINC001687255198 1070967472 /nfs/dbraw/zinc/96/74/72/1070967472.db2.gz HVBXEPGUVFMMKT-SFHVURJKSA-N 0 3 428.603 -0.177 20 0 IBADHN