smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc2c(C)cc(N3CCC4(CCCN4Cc4csc(C)n4)CC3)nc2c1 ZINC001164693095 719811222 /nfs/dbraw/zinc/81/12/22/719811222.db2.gz PXXJQKYJAGBRIK-UHFFFAOYSA-N 0 3 422.598 4.952 20 0 HJADHN Cc1nc2sc3c(c2c(N2CC[C@H]4[C@@H]2CCN4Cc2cccnc2)n1)CCCCC3 ZINC001164730915 720442868 /nfs/dbraw/zinc/44/28/68/720442868.db2.gz JSLWWDJKWZTSFC-PMACEKPBSA-N 0 3 419.598 4.517 20 0 HJADHN Cc1nc(-c2ccccc2Cl)nc(N2CC[C@@H]3[C@H]2CCN3Cc2cccnc2)c1C ZINC001164732408 720460502 /nfs/dbraw/zinc/46/05/02/720460502.db2.gz NECNCVSVANMKKI-FGZHOGPDSA-N 0 3 419.960 4.662 20 0 HJADHN Cn1cc(CN2CC[C@H]3CN(c4cc(-c5ccccc5)c5ccccc5n4)C[C@@H]3C2)cn1 ZINC001164769525 721191465 /nfs/dbraw/zinc/19/14/65/721191465.db2.gz MQDRKODHRZTPOT-GOTSBHOMSA-N 0 3 423.564 4.594 20 0 HJADHN CSc1cc(Cl)ncc1N1CCC(F)(F)[C@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164906027 721699247 /nfs/dbraw/zinc/69/92/47/721699247.db2.gz KZKGGBXMJWUHJS-IBGZPJMESA-N 0 3 424.948 4.590 20 0 HJADHN Fc1cccc(CN2CC[C@]23CCCN(c2nc(Cl)nc4c(F)cccc42)C3)c1 ZINC001164994170 722198503 /nfs/dbraw/zinc/19/85/03/722198503.db2.gz LBCUPOGHAHWSBR-QFIPXVFZSA-N 0 3 414.887 4.806 20 0 HJADHN Fc1cccc(CN2CC[C@@]23CCCN(c2ncnc4c2ccn4C2CCCC2)C3)c1 ZINC001164994445 722201952 /nfs/dbraw/zinc/20/19/52/722201952.db2.gz HDEVEUVLHNUAIT-RUZDIDTESA-N 0 3 419.548 4.930 20 0 HJADHN c1csc(-c2csc3ncnc(N4CC[C@H]5[C@@H]4CCN5Cc4cccnc4)c23)c1 ZINC001164721435 720358079 /nfs/dbraw/zinc/35/80/79/720358079.db2.gz CAPKKHGWHWJHCR-ROUUACIJSA-N 0 3 419.579 4.668 20 0 HJADHN CCc1cc2c(ccnc2N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)o1 ZINC001164912237 721735465 /nfs/dbraw/zinc/73/54/65/721735465.db2.gz NHKFFMFKGPPVFF-JOCHJYFZSA-N 0 3 412.484 4.523 20 0 HJADHN Cc1cc2ccccc2nc1N1CCC(F)(F)[C@@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164907447 721694192 /nfs/dbraw/zinc/69/41/92/721694192.db2.gz SWOSCGFGGKFWKS-HSZRJFAPSA-N 0 3 408.496 4.676 20 0 HJADHN Fc1ccc2nc(N3CCC(F)(F)[C@]4(CCN(Cc5ccccn5)C4)C3)ccc2c1 ZINC001164904768 721700040 /nfs/dbraw/zinc/70/00/40/721700040.db2.gz GHCYWRBUDZINEO-QFIPXVFZSA-N 0 3 412.459 4.507 20 0 HJADHN Cc1cc2ccccc2c(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)n1 ZINC001164905546 721715497 /nfs/dbraw/zinc/71/54/97/721715497.db2.gz HHPONRWLWGALLL-HSZRJFAPSA-N 0 3 408.496 4.676 20 0 HJADHN Cc1ccc(CN2CCOC3(CCN(c4nc(C)cc5ccccc54)CC3)C2)cc1 ZINC001164940207 721928863 /nfs/dbraw/zinc/92/88/63/721928863.db2.gz RXOHDLBHRJCQCJ-UHFFFAOYSA-N 0 3 401.554 4.723 20 0 HJADHN Cc1cccc2c(Cl)nnc(N3CCC[C@@]4(CCN4Cc4cccc(F)c4)C3)c12 ZINC001164994160 722198785 /nfs/dbraw/zinc/19/87/85/722198785.db2.gz KYBZZWDQFYDNQA-HSZRJFAPSA-N 0 3 410.924 4.976 20 0 HJADHN c1sc2ncnc(N3CC[C@@H]4[C@H]3CCN4Cc3cccnc3)c2c1-c1ccccc1 ZINC001164722185 720358142 /nfs/dbraw/zinc/35/81/42/720358142.db2.gz FHRRVKXIBMLTCN-NHCUHLMSSA-N 0 3 413.550 4.607 20 0 HJADHN Cc1ccc(CN2CCOC3(CCN(c4nccc5cccc(C)c54)CC3)C2)cc1 ZINC001164939011 721932686 /nfs/dbraw/zinc/93/26/86/721932686.db2.gz GTNMQLYASPKGMA-UHFFFAOYSA-N 0 3 401.554 4.723 20 0 HJADHN FC(F)(c1cc(C2CC2)nnc1Cl)N1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC001164630180 719099862 /nfs/dbraw/zinc/09/98/62/719099862.db2.gz VVZUJVQILZKBEP-PXNSSMCTSA-N 0 3 418.919 4.653 20 0 HJADHN Fc1cccc(CN2CC[C@]23CCCN(c2ncnc4sc5c(c42)CCC5)C3)c1 ZINC001164995376 722207921 /nfs/dbraw/zinc/20/79/21/722207921.db2.gz MVZZQCSVJZFFAX-QHCPKHFHSA-N 0 3 408.546 4.564 20 0 HJADHN COc1c(Br)cc(CNCc2ccc(F)cc2)cc1Br ZINC000020927303 568460551 /nfs/dbraw/zinc/46/05/51/568460551.db2.gz BCBZPTFNOZYKLN-UHFFFAOYSA-N 0 3 403.089 4.649 20 0 HJADHN Cc1c(Cl)nc2cc(F)cc(F)c2c1N1CC[C@H]2[C@H]1CCN2Cc1cccnc1 ZINC001164728343 720475448 /nfs/dbraw/zinc/47/54/48/720475448.db2.gz PFUAOYRQAYEDDS-RBUKOAKNSA-N 0 3 414.887 4.723 20 0 HJADHN Fc1ccc2ccnc(N3CCC(F)(F)[C@@]4(CCN(Cc5ccccn5)C4)C3)c2c1 ZINC001164908176 721706303 /nfs/dbraw/zinc/70/63/03/721706303.db2.gz WHULLDDYYUTJFR-JOCHJYFZSA-N 0 3 412.459 4.507 20 0 HJADHN Fc1cccc(CN2CC[C@@]23CCCN(c2nnc(Cl)cc2-c2ccncc2)C3)c1 ZINC001164995476 722194292 /nfs/dbraw/zinc/19/42/92/722194292.db2.gz VDQRZHQFOIKVFV-HSZRJFAPSA-N 0 3 423.923 4.576 20 0 HJADHN CC(C)c1noc(-c2ccnc(N3CCC[C@@]4(CCN4Cc4cccc(F)c4)C3)c2)n1 ZINC001164995511 722210749 /nfs/dbraw/zinc/21/07/49/722210749.db2.gz JJXGLHJAZGCIEH-XMMPIXPASA-N 0 3 421.520 4.639 20 0 HJADHN Cc1ccc(-c2nnc(N3CC[C@@H]4[C@@H]3CCN4Cc3cccnc3)c3ccccc32)cc1 ZINC001164732818 720432324 /nfs/dbraw/zinc/43/23/24/720432324.db2.gz OFTMXZSFKIXSSY-RPBOFIJWSA-N 0 3 421.548 4.853 20 0 HJADHN c1cc(-c2nc3ccccc3c(N3CC[C@H]4[C@@H]3CCN4Cc3cccnc3)n2)cs1 ZINC001164730872 720444376 /nfs/dbraw/zinc/44/43/76/720444376.db2.gz JGIZHMWEUYKINK-VXKWHMMOSA-N 0 3 413.550 4.607 20 0 HJADHN Fc1cccc2c1ccnc2N1CCC(F)(F)[C@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164905537 721710161 /nfs/dbraw/zinc/71/01/61/721710161.db2.gz HEGPZVDHIVFLOC-QFIPXVFZSA-N 0 3 412.459 4.507 20 0 HJADHN Cc1cccc2ccnc(N3CCC(F)(F)[C@]4(CCN(Cc5ccccn5)C4)C3)c12 ZINC001164913509 721731719 /nfs/dbraw/zinc/73/17/19/721731719.db2.gz WNTNCBPQALSFGM-QHCPKHFHSA-N 0 3 408.496 4.676 20 0 HJADHN COc1cccc(OC)c1CN1CCC(N(C)c2nccc3cccc(C)c32)CC1 ZINC001165031113 721844440 /nfs/dbraw/zinc/84/44/40/721844440.db2.gz SQGAGBIOOUVVEZ-UHFFFAOYSA-N 0 3 405.542 4.661 20 0 HJADHN c1ccc2c(c1)cccc2-c1ccc(N2CC[C@@H]3[C@H]2CCN3Cc2cccnc2)nn1 ZINC001164730245 720458486 /nfs/dbraw/zinc/45/84/86/720458486.db2.gz IWZHLMGQIBPPTA-JWQCQUIFSA-N 0 3 407.521 4.545 20 0 HJADHN CC(C)(c1ccnc(Cl)c1)N1CCC(F)(F)[C@@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164912140 721738725 /nfs/dbraw/zinc/73/87/25/721738725.db2.gz MDAYYEFCZCMCLZ-OAQYLSRUSA-N 0 3 420.935 4.598 20 0 HJADHN Fc1cccc(CN2CC[C@]23CCCN(c2nc(C(F)F)nc4ccccc42)C3)c1 ZINC001164996636 722210200 /nfs/dbraw/zinc/21/02/00/722210200.db2.gz UOACMVUMBNFXJS-QHCPKHFHSA-N 0 3 412.459 4.951 20 0 HJADHN CC(C)c1noc(-c2ccnc(N3CCC[C@]4(CCN4Cc4cccc(F)c4)C3)c2)n1 ZINC001164995508 722210693 /nfs/dbraw/zinc/21/06/93/722210693.db2.gz JJXGLHJAZGCIEH-DEOSSOPVSA-N 0 3 421.520 4.639 20 0 HJADHN CSc1ccc2ncnc(N3CCC[C@@]4(CCN4Cc4cccc(F)c4)C3)c2c1 ZINC001164994711 722212355 /nfs/dbraw/zinc/21/23/55/722212355.db2.gz CNMUMEFNBNNIOC-HSZRJFAPSA-N 0 3 408.546 4.736 20 0 HJADHN Fc1ccc2c(c1)[nH]c1ncnc(N3CCC[C@]4(CCN4Cc4cccc(F)c4)C3)c21 ZINC001164995087 722213558 /nfs/dbraw/zinc/21/35/58/722213558.db2.gz GKNWCIMVHAOEMA-DEOSSOPVSA-N 0 3 419.479 4.634 20 0 HJADHN Cc1nc2sc3c(c2c(N2CC[C@@H]4[C@@H]2CCN4Cc2cccnc2)n1)CCCCC3 ZINC001164730916 720442420 /nfs/dbraw/zinc/44/24/20/720442420.db2.gz JSLWWDJKWZTSFC-UXHICEINSA-N 0 3 419.598 4.517 20 0 HJADHN FC(F)(F)Oc1ccc(OC2CCN(c3ccc(CN4CCCC4)cn3)CC2)cc1 ZINC001165047824 721979879 /nfs/dbraw/zinc/97/98/79/721979879.db2.gz ANBOKVBPWGJAEX-UHFFFAOYSA-N 0 3 421.463 4.624 20 0 HJADHN Cc1nc(CN2CCCC23CCN(C(C)(C)c2ccnc(Cl)c2)CC3)cs1 ZINC001164699685 719817136 /nfs/dbraw/zinc/81/71/36/719817136.db2.gz IAMJNJOMFCPZCP-UHFFFAOYSA-N 0 3 405.011 4.866 20 0 HJADHN Cc1ccc(-c2nc3ccccc3c(N3CC[C@@H]4[C@@H]3CCN4Cc3cccnc3)n2)cc1 ZINC001164731387 720406066 /nfs/dbraw/zinc/40/60/66/720406066.db2.gz ZHSQGDLUAAHBIB-RPBOFIJWSA-N 0 3 421.548 4.853 20 0 HJADHN c1ccc(CSc2ccnc(N3CC[C@H]4[C@@H]3CCN4Cc3cccnc3)c2)cc1 ZINC001164729447 720453471 /nfs/dbraw/zinc/45/34/71/720453471.db2.gz HLNYJSYJVGVYJI-GOTSBHOMSA-N 0 3 402.567 4.622 20 0 HJADHN Cc1ccc2nc(N3CCC(F)(F)[C@]4(CCN(Cc5ccccn5)C4)C3)ccc2c1 ZINC001164902237 721584427 /nfs/dbraw/zinc/58/44/27/721584427.db2.gz DLJCICHTKCGFTJ-QHCPKHFHSA-N 0 3 408.496 4.676 20 0 HJADHN CC(C)(c1ccnc(Cl)c1)N1CCC(F)(F)[C@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164912138 721738468 /nfs/dbraw/zinc/73/84/68/721738468.db2.gz MDAYYEFCZCMCLZ-NRFANRHFSA-N 0 3 420.935 4.598 20 0 HJADHN COc1cc2ccnc(N3CCC[C@]4(CCN4Cc4cccc(F)c4)C3)c2cc1OC ZINC001164995964 722200892 /nfs/dbraw/zinc/20/08/92/722200892.db2.gz QOAXCSXBFJJSFZ-VWLOTQADSA-N 0 3 421.516 4.636 20 0 HJADHN FC(F)(c1cc(C2CC2)nnc1Cl)N1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC001164630186 719099266 /nfs/dbraw/zinc/09/92/66/719099266.db2.gz VVZUJVQILZKBEP-YLJYHZDGSA-N 0 3 418.919 4.653 20 0 HJADHN c1cc(-c2nc3ccccc3c(N3CC[C@H]4[C@H]3CCN4Cc3cccnc3)n2)cs1 ZINC001164730868 720443650 /nfs/dbraw/zinc/44/36/50/720443650.db2.gz JGIZHMWEUYKINK-FCHUYYIVSA-N 0 3 413.550 4.607 20 0 HJADHN Fc1ccc2nc(N3CCC(F)(F)[C@@]4(CCN(Cc5ccccn5)C4)C3)ccc2c1 ZINC001164904766 721700531 /nfs/dbraw/zinc/70/05/31/721700531.db2.gz GHCYWRBUDZINEO-JOCHJYFZSA-N 0 3 412.459 4.507 20 0 HJADHN Fc1ccc2ccnc(N3CCC(F)(F)[C@]4(CCN(Cc5ccccn5)C4)C3)c2c1 ZINC001164908179 721707362 /nfs/dbraw/zinc/70/73/62/721707362.db2.gz WHULLDDYYUTJFR-QFIPXVFZSA-N 0 3 412.459 4.507 20 0 HJADHN Fc1cccc2ccc(N3CCC(F)(F)[C@]4(CCN(Cc5ccccn5)C4)C3)nc12 ZINC001164906221 721718868 /nfs/dbraw/zinc/71/88/68/721718868.db2.gz LBLXWFCHAXCGNA-QFIPXVFZSA-N 0 3 412.459 4.507 20 0 HJADHN CN(c1c2c(cnc1Cl)C1(CCN(Cc3ccccc3)CC1)OC2=O)C(C)(C)C ZINC001165023853 721833927 /nfs/dbraw/zinc/83/39/27/721833927.db2.gz WTKWZZVFLSNIKW-UHFFFAOYSA-N 0 3 413.949 4.631 20 0 HJADHN Fc1cccc(CN2CC[C@]23CCCN(c2nnc(Cl)cc2-c2ccncc2)C3)c1 ZINC001164995478 722194668 /nfs/dbraw/zinc/19/46/68/722194668.db2.gz VDQRZHQFOIKVFV-QHCPKHFHSA-N 0 3 423.923 4.576 20 0 HJADHN CCOc1c(Br)cc(CNCc2cccs2)cc1Br ZINC000057942899 568498347 /nfs/dbraw/zinc/49/83/47/568498347.db2.gz SBUXQRZIYFTUFX-UHFFFAOYSA-N 0 3 405.155 4.962 20 0 HJADHN c1cc(-c2nc3ccccc3c(N3CC[C@@H]4[C@H]3CCN4Cc3cccnc3)n2)cs1 ZINC001164730869 720444559 /nfs/dbraw/zinc/44/45/59/720444559.db2.gz JGIZHMWEUYKINK-FGZHOGPDSA-N 0 3 413.550 4.607 20 0 HJADHN Cc1c(Cl)nc2cc(F)cc(F)c2c1N1CC[C@@H]2[C@@H]1CCN2Cc1cccnc1 ZINC001164728336 720475718 /nfs/dbraw/zinc/47/57/18/720475718.db2.gz PFUAOYRQAYEDDS-MOPGFXCFSA-N 0 3 414.887 4.723 20 0 HJADHN Cc1cc(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)nc2ccccc12 ZINC001164906269 721701272 /nfs/dbraw/zinc/70/12/72/721701272.db2.gz MXBCJBPZLBLUHU-HSZRJFAPSA-N 0 3 408.496 4.676 20 0 HJADHN CCc1cc2c(ccnc2N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)o1 ZINC001164912238 721736883 /nfs/dbraw/zinc/73/68/83/721736883.db2.gz NHKFFMFKGPPVFF-QFIPXVFZSA-N 0 3 412.484 4.523 20 0 HJADHN CCOc1c(Br)cc(Br)cc1CNCCCOC(C)C ZINC000013721923 560827552 /nfs/dbraw/zinc/82/75/52/560827552.db2.gz AIOZANWORFATRC-UHFFFAOYSA-N 0 3 409.162 4.515 20 0 HJADHN c1sc2ncnc(N3CC[C@H]4[C@@H]3CCN4Cc3cccnc3)c2c1-c1ccccc1 ZINC001164722189 720357463 /nfs/dbraw/zinc/35/74/63/720357463.db2.gz FHRRVKXIBMLTCN-SFTDATJTSA-N 0 3 413.550 4.607 20 0 HJADHN Cc1nc(-c2ccccc2Cl)nc(N2CC[C@H]3[C@H]2CCN3Cc2cccnc2)c1C ZINC001164732407 720459864 /nfs/dbraw/zinc/45/98/64/720459864.db2.gz NECNCVSVANMKKI-FCHUYYIVSA-N 0 3 419.960 4.662 20 0 HJADHN Cn1cc(CN2CC[C@H]3CN(c4cc(-c5ccccc5)c5ccccc5n4)C[C@H]3C2)cn1 ZINC001164769530 721192810 /nfs/dbraw/zinc/19/28/10/721192810.db2.gz MQDRKODHRZTPOT-XZOQPEGZSA-N 0 3 423.564 4.594 20 0 HJADHN COc1cc2cnc(N3CCC[C@@]4(CCN4Cc4cccc(F)c4)C3)cc2cc1OC ZINC001164994025 722209351 /nfs/dbraw/zinc/20/93/51/722209351.db2.gz DCRZKGGXVLZDDH-RUZDIDTESA-N 0 3 421.516 4.636 20 0 HJADHN Cc1nc(-c2ccccn2)nc(N2CCC[C@]3(CCN3Cc3cccc(F)c3)C2)c1C ZINC001164999106 722210713 /nfs/dbraw/zinc/21/07/13/722210713.db2.gz ZNGJMNMOHFYYBV-VWLOTQADSA-N 0 3 417.532 4.539 20 0 HJADHN CCCOc1c(Br)cc(CNCc2ccc(OC)cc2)cc1OCC ZINC000020932531 558424396 /nfs/dbraw/zinc/42/43/96/558424396.db2.gz FXNPGQPLXJIBOF-UHFFFAOYSA-N 0 3 408.336 4.935 20 0 HJADHN Cc1cccc2ccc(N3CCC(F)(F)[C@@]4(CCN(Cc5ccccn5)C4)C3)nc12 ZINC001164901852 721583591 /nfs/dbraw/zinc/58/35/91/721583591.db2.gz BPHGDVAHYHQUBD-HSZRJFAPSA-N 0 3 408.496 4.676 20 0 HJADHN Cc1cccc2c1ccnc2N1CCC(F)(F)[C@@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164906021 721705811 /nfs/dbraw/zinc/70/58/11/721705811.db2.gz JKKCQHKTXSZXNG-HSZRJFAPSA-N 0 3 408.496 4.676 20 0 HJADHN Fc1cccc(CN2CC[C@@]23CCCN(c2nc(Cl)nc4[nH]cc(Cl)c42)C3)c1 ZINC001164995623 722191658 /nfs/dbraw/zinc/19/16/58/722191658.db2.gz WDYUMZGQWUQDPY-HXUWFJFHSA-N 0 3 420.319 4.649 20 0 HJADHN COc1cc2ccnc(N3CCC[C@@]4(CCN4Cc4cccc(F)c4)C3)c2cc1OC ZINC001164995963 722200973 /nfs/dbraw/zinc/20/09/73/722200973.db2.gz QOAXCSXBFJJSFZ-RUZDIDTESA-N 0 3 421.516 4.636 20 0 HJADHN c1ccc2c(c1)cccc2-c1ccc(N2CC[C@@H]3[C@@H]2CCN3Cc2cccnc2)nn1 ZINC001164730249 720457485 /nfs/dbraw/zinc/45/74/85/720457485.db2.gz IWZHLMGQIBPPTA-RPBOFIJWSA-N 0 3 407.521 4.545 20 0 HJADHN Cc1c(Cl)nc2cc(F)cc(F)c2c1N1CC[C@@H]2[C@H]1CCN2Cc1cccnc1 ZINC001164728347 720474857 /nfs/dbraw/zinc/47/48/57/720474857.db2.gz PFUAOYRQAYEDDS-RTBURBONSA-N 0 3 414.887 4.723 20 0 HJADHN Cc1cc2ccccc2nc1N1CCC(F)(F)[C@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164907448 721694578 /nfs/dbraw/zinc/69/45/78/721694578.db2.gz SWOSCGFGGKFWKS-QHCPKHFHSA-N 0 3 408.496 4.676 20 0 HJADHN Cc1cc2ccccc2c(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)n1 ZINC001164905549 721716114 /nfs/dbraw/zinc/71/61/14/721716114.db2.gz HHPONRWLWGALLL-QHCPKHFHSA-N 0 3 408.496 4.676 20 0 HJADHN COc1cccc(OC)c1CN1CCC(N(C)c2nc(C)cc3ccccc32)CC1 ZINC001165023005 721842611 /nfs/dbraw/zinc/84/26/11/721842611.db2.gz VZXFDMGLAVGPMN-UHFFFAOYSA-N 0 3 405.542 4.661 20 0 HJADHN Fc1cccc(CN2CC[C@@]23CCCN(c2nnc(Cl)c4ccc(F)cc42)C3)c1 ZINC001164995783 722211303 /nfs/dbraw/zinc/21/13/03/722211303.db2.gz KPNNONVXDODOHS-JOCHJYFZSA-N 0 3 414.887 4.806 20 0 HJADHN Fc1cccc(CN2CC[C@]23CCCN(c2nnc(Cl)c4ccc(F)cc42)C3)c1 ZINC001164995786 722211765 /nfs/dbraw/zinc/21/17/65/722211765.db2.gz KPNNONVXDODOHS-QFIPXVFZSA-N 0 3 414.887 4.806 20 0 HJADHN Fc1cccc(CN2CC[C@@]23CCCN(c2nc(C4CCC4)nc4[nH]ccc42)C3)c1 ZINC001164995768 722213956 /nfs/dbraw/zinc/21/39/56/722213956.db2.gz KNAFXKDYSDPRSP-XMMPIXPASA-N 0 3 405.521 4.609 20 0 HJADHN c1ccc(CSc2ccnc(N3CC[C@@H]4[C@@H]3CCN4Cc3cccnc3)c2)cc1 ZINC001164729449 720454279 /nfs/dbraw/zinc/45/42/79/720454279.db2.gz HLNYJSYJVGVYJI-PKTZIBPZSA-N 0 3 402.567 4.622 20 0 HJADHN CC(C)(C)c1ccc(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)nc1 ZINC001164912619 721737509 /nfs/dbraw/zinc/73/75/09/721737509.db2.gz OYKLTAJVLZLJFI-JOCHJYFZSA-N 0 3 400.517 4.512 20 0 HJADHN Cc1ccc(CN2CCOC3(CCN(C(C)(C)c4ccnc(Cl)c4)CC3)C2)cc1 ZINC001164941811 721933786 /nfs/dbraw/zinc/93/37/86/721933786.db2.gz JOMDOJLKUJXRNS-UHFFFAOYSA-N 0 3 413.993 4.646 20 0 HJADHN COc1cc2cnc(N3CCC[C@]4(CCN4Cc4cccc(F)c4)C3)cc2cc1OC ZINC001164994026 722209497 /nfs/dbraw/zinc/20/94/97/722209497.db2.gz DCRZKGGXVLZDDH-VWLOTQADSA-N 0 3 421.516 4.636 20 0 HJADHN COc1ccc(CNCc2cc(Br)c(OC)c(Br)c2)cc1 ZINC000020927376 568460759 /nfs/dbraw/zinc/46/07/59/568460759.db2.gz VCRXYLWQUOYEMY-UHFFFAOYSA-N 0 3 415.125 4.519 20 0 HJADHN c1csc(-c2csc3ncnc(N4CC[C@@H]5[C@H]4CCN5Cc4cccnc4)c23)c1 ZINC001164721433 720357480 /nfs/dbraw/zinc/35/74/80/720357480.db2.gz CAPKKHGWHWJHCR-QZTJIDSGSA-N 0 3 419.579 4.668 20 0 HJADHN Cc1ccc(-c2nc3ccccc3c(N3CC[C@H]4[C@@H]3CCN4Cc3cccnc3)n2)cc1 ZINC001164731376 720405218 /nfs/dbraw/zinc/40/52/18/720405218.db2.gz ZHSQGDLUAAHBIB-DQEYMECFSA-N 0 3 421.548 4.853 20 0 HJADHN Cc1nc2sc3c(c2c(N2CC[C@H]4[C@H]2CCN4Cc2cccnc2)n1)CCCCC3 ZINC001164730917 720441557 /nfs/dbraw/zinc/44/15/57/720441557.db2.gz JSLWWDJKWZTSFC-VQTJNVASSA-N 0 3 419.598 4.517 20 0 HJADHN c1ccc(CSc2ccnc(N3CC[C@@H]4[C@H]3CCN4Cc3cccnc3)c2)cc1 ZINC001164729445 720455175 /nfs/dbraw/zinc/45/51/75/720455175.db2.gz HLNYJSYJVGVYJI-DHIUTWEWSA-N 0 3 402.567 4.622 20 0 HJADHN Cc1cc(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)nc2ccccc12 ZINC001164906270 721701398 /nfs/dbraw/zinc/70/13/98/721701398.db2.gz MXBCJBPZLBLUHU-QHCPKHFHSA-N 0 3 408.496 4.676 20 0 HJADHN Fc1cnc(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)c2ccccc12 ZINC001164906131 721706599 /nfs/dbraw/zinc/70/65/99/721706599.db2.gz KCLOHVUETDIEJA-QFIPXVFZSA-N 0 3 412.459 4.507 20 0 HJADHN Fc1ccc2ccc(N3CCC(F)(F)[C@]4(CCN(Cc5ccccn5)C4)C3)nc2c1 ZINC001164909708 721726113 /nfs/dbraw/zinc/72/61/13/721726113.db2.gz DDISUTYHJRBLSB-QFIPXVFZSA-N 0 3 412.459 4.507 20 0 HJADHN Cc1cccc2ccnc(N3CCC(F)(F)[C@@]4(CCN(Cc5ccccn5)C4)C3)c12 ZINC001164913507 721732474 /nfs/dbraw/zinc/73/24/74/721732474.db2.gz WNTNCBPQALSFGM-HSZRJFAPSA-N 0 3 408.496 4.676 20 0 HJADHN c1sc2ncnc(N3CC[C@H]4[C@H]3CCN4Cc3cccnc3)c2c1-c1ccccc1 ZINC001164722184 720356692 /nfs/dbraw/zinc/35/66/92/720356692.db2.gz FHRRVKXIBMLTCN-LEWJYISDSA-N 0 3 413.550 4.607 20 0 HJADHN c1ccc(-c2nc3ccccc3c(N3CC[C@H]4[C@H]3CCN4Cc3cccnc3)n2)cc1 ZINC001164725848 720369565 /nfs/dbraw/zinc/36/95/65/720369565.db2.gz NVBZLSZSQQLTSV-BJKOFHAPSA-N 0 3 407.521 4.545 20 0 HJADHN c1ccc(CSc2ccnc(N3CC[C@H]4[C@H]3CCN4Cc3cccnc3)c2)cc1 ZINC001164729451 720454874 /nfs/dbraw/zinc/45/48/74/720454874.db2.gz HLNYJSYJVGVYJI-XZOQPEGZSA-N 0 3 402.567 4.622 20 0 HJADHN Cc1cccc2ccc(N3CCC(F)(F)[C@]4(CCN(Cc5ccccn5)C4)C3)nc12 ZINC001164901853 721583321 /nfs/dbraw/zinc/58/33/21/721583321.db2.gz BPHGDVAHYHQUBD-QHCPKHFHSA-N 0 3 408.496 4.676 20 0 HJADHN Cc1ccc2ccnc(N3CCC(F)(F)[C@]4(CCN(Cc5ccccn5)C4)C3)c2c1 ZINC001164907636 721702881 /nfs/dbraw/zinc/70/28/81/721702881.db2.gz SEEJBIVYHNTOCN-QHCPKHFHSA-N 0 3 408.496 4.676 20 0 HJADHN c1csc(-c2csc3ncnc(N4CC[C@@H]5[C@@H]4CCN5Cc4cccnc4)c23)c1 ZINC001164721430 720357811 /nfs/dbraw/zinc/35/78/11/720357811.db2.gz CAPKKHGWHWJHCR-MSOLQXFVSA-N 0 3 419.579 4.668 20 0 HJADHN c1ccc(-c2nc3ccccc3c(N3CC[C@@H]4[C@@H]3CCN4Cc3cccnc3)n2)cc1 ZINC001164725852 720370185 /nfs/dbraw/zinc/37/01/85/720370185.db2.gz NVBZLSZSQQLTSV-RPWUZVMVSA-N 0 3 407.521 4.545 20 0 HJADHN Cc1cccc2c1ccnc2N1CCC(F)(F)[C@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164906025 721705530 /nfs/dbraw/zinc/70/55/30/721705530.db2.gz JKKCQHKTXSZXNG-QHCPKHFHSA-N 0 3 408.496 4.676 20 0 HJADHN Fc1cccc(CN2CC[C@]23CCCN(c2nc(Cl)nc4[nH]cc(Cl)c42)C3)c1 ZINC001164995621 722191897 /nfs/dbraw/zinc/19/18/97/722191897.db2.gz WDYUMZGQWUQDPY-FQEVSTJZSA-N 0 3 420.319 4.649 20 0 HJADHN c1ccc(-c2nc3ccccc3c(N3CC[C@@H]4[C@H]3CCN4Cc3cccnc3)n2)cc1 ZINC001164725850 720368609 /nfs/dbraw/zinc/36/86/09/720368609.db2.gz NVBZLSZSQQLTSV-DNQXCXABSA-N 0 3 407.521 4.545 20 0 HJADHN Cc1ccc2ccnc(N3CCC(F)(F)[C@@]4(CCN(Cc5ccccn5)C4)C3)c2c1 ZINC001164907635 721703144 /nfs/dbraw/zinc/70/31/44/721703144.db2.gz SEEJBIVYHNTOCN-HSZRJFAPSA-N 0 3 408.496 4.676 20 0 HJADHN Fc1cccc2ccc(N3CCC(F)(F)[C@@]4(CCN(Cc5ccccn5)C4)C3)nc12 ZINC001164906220 721719559 /nfs/dbraw/zinc/71/95/59/721719559.db2.gz LBLXWFCHAXCGNA-JOCHJYFZSA-N 0 3 412.459 4.507 20 0 HJADHN Fc1cccc(CN2CC[C@@]23CCCN(c2cc(F)cc4ncnc(Cl)c42)C3)c1 ZINC001164995884 722206745 /nfs/dbraw/zinc/20/67/45/722206745.db2.gz PQOHFSGVEGRSEE-JOCHJYFZSA-N 0 3 414.887 4.806 20 0 HJADHN Fc1ccc2c(c1)[nH]c1ncnc(N3CCC[C@@]4(CCN4Cc4cccc(F)c4)C3)c21 ZINC001164995088 722213670 /nfs/dbraw/zinc/21/36/70/722213670.db2.gz GKNWCIMVHAOEMA-XMMPIXPASA-N 0 3 419.479 4.634 20 0 HJADHN c1ccc2c(c1)cccc2-c1ccc(N2CC[C@H]3[C@@H]2CCN3Cc2cccnc2)nn1 ZINC001164730243 720457449 /nfs/dbraw/zinc/45/74/49/720457449.db2.gz IWZHLMGQIBPPTA-DQEYMECFSA-N 0 3 407.521 4.545 20 0 HJADHN Cn1cc(CN2CC[C@@H]3CN(c4cc(-c5ccccc5)c5ccccc5n4)C[C@@H]3C2)cn1 ZINC001164769529 721192685 /nfs/dbraw/zinc/19/26/85/721192685.db2.gz MQDRKODHRZTPOT-PKTZIBPZSA-N 0 3 423.564 4.594 20 0 HJADHN CSc1cc(Cl)ncc1N1CCC(F)(F)[C@@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164906082 721699727 /nfs/dbraw/zinc/69/97/27/721699727.db2.gz KZKGGBXMJWUHJS-LJQANCHMSA-N 0 3 424.948 4.590 20 0 HJADHN Fc1cnc(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)c2ccccc12 ZINC001164906129 721707443 /nfs/dbraw/zinc/70/74/43/721707443.db2.gz KCLOHVUETDIEJA-JOCHJYFZSA-N 0 3 412.459 4.507 20 0 HJADHN Fc1cccc(CN2CC[C@]23CCCN(c2nc(Cl)nc4ccc(F)cc42)C3)c1 ZINC001164993670 722193879 /nfs/dbraw/zinc/19/38/79/722193879.db2.gz HEIJZPDGMWIPJC-QFIPXVFZSA-N 0 3 414.887 4.806 20 0 HJADHN Fc1cccc(CN2CC[C@]23CCCN(c2csc4ncnc(Cl)c24)C3)c1 ZINC001164994582 722197089 /nfs/dbraw/zinc/19/70/89/722197089.db2.gz ODPLCDVYHYIUDR-FQEVSTJZSA-N 0 3 402.926 4.729 20 0 HJADHN Fc1cccc(CN2CC[C@@]23CCCN(c2nc(Cl)nc4c(F)cccc42)C3)c1 ZINC001164994168 722198274 /nfs/dbraw/zinc/19/82/74/722198274.db2.gz LBCUPOGHAHWSBR-JOCHJYFZSA-N 0 3 414.887 4.806 20 0 HJADHN Cc1cc(N2CCC[C@]3(CCN3Cc3cccc(F)c3)C2)nc(-c2ccsc2)n1 ZINC001164995382 722210171 /nfs/dbraw/zinc/21/01/71/722210171.db2.gz MZRRRVVBMVNHTI-QHCPKHFHSA-N 0 3 408.546 4.898 20 0 HJADHN FC(F)(c1cc(C2CC2)nnc1Cl)N1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC001164630183 719099445 /nfs/dbraw/zinc/09/94/45/719099445.db2.gz VVZUJVQILZKBEP-XLIONFOSSA-N 0 3 418.919 4.653 20 0 HJADHN Cc1c[nH]c2nc(Cl)cc(N3CCC4(CCCN4Cc4csc(C)n4)CC3)c12 ZINC001164691560 719813189 /nfs/dbraw/zinc/81/31/89/719813189.db2.gz HIDSLGDOTZHMJM-UHFFFAOYSA-N 0 3 415.994 4.925 20 0 HJADHN Cc1ccc(-c2nc3ccccc3c(N3CC[C@@H]4[C@H]3CCN4Cc3cccnc3)n2)cc1 ZINC001164731380 720406310 /nfs/dbraw/zinc/40/63/10/720406310.db2.gz ZHSQGDLUAAHBIB-JWQCQUIFSA-N 0 3 421.548 4.853 20 0 HJADHN c1cc(-c2nc3ccccc3c(N3CC[C@@H]4[C@@H]3CCN4Cc3cccnc3)n2)cs1 ZINC001164730874 720445126 /nfs/dbraw/zinc/44/51/26/720445126.db2.gz JGIZHMWEUYKINK-YADHBBJMSA-N 0 3 413.550 4.607 20 0 HJADHN Cc1cccc2c(C)cc(N3CCC(F)(F)[C@@]4(CCN(Cc5ccccn5)C4)C3)nc12 ZINC001164907879 721585313 /nfs/dbraw/zinc/58/53/13/721585313.db2.gz VNNLNFBBZOASRS-XMMPIXPASA-N 0 3 422.523 4.984 20 0 HJADHN Cc1cccc2c(C)cc(N3CCC(F)(F)[C@]4(CCN(Cc5ccccn5)C4)C3)nc12 ZINC001164907876 721585775 /nfs/dbraw/zinc/58/57/75/721585775.db2.gz VNNLNFBBZOASRS-DEOSSOPVSA-N 0 3 422.523 4.984 20 0 HJADHN Cc1cccc2c(Cl)nnc(N3CCC[C@]4(CCN4Cc4cccc(F)c4)C3)c12 ZINC001164994162 722199260 /nfs/dbraw/zinc/19/92/60/722199260.db2.gz KYBZZWDQFYDNQA-QHCPKHFHSA-N 0 3 410.924 4.976 20 0 HJADHN Cc1cc(N2CCC[C@@]3(CCN3Cc3cccc(F)c3)C2)nc(-c2ccsc2)n1 ZINC001164995381 722210311 /nfs/dbraw/zinc/21/03/11/722210311.db2.gz MZRRRVVBMVNHTI-HSZRJFAPSA-N 0 3 408.546 4.898 20 0 HJADHN c1sc2ncnc(N3CC[C@@H]4[C@@H]3CCN4Cc3cccnc3)c2c1-c1ccccc1 ZINC001164722187 720357552 /nfs/dbraw/zinc/35/75/52/720357552.db2.gz FHRRVKXIBMLTCN-RTWAWAEBSA-N 0 3 413.550 4.607 20 0 HJADHN c1csc(-c2csc3ncnc(N4CC[C@H]5[C@H]4CCN5Cc4cccnc4)c23)c1 ZINC001164721436 720358458 /nfs/dbraw/zinc/35/84/58/720358458.db2.gz CAPKKHGWHWJHCR-ZWKOTPCHSA-N 0 3 419.579 4.668 20 0 HJADHN COc1cc2ccnc(N3CCC[C@@]4(CCN4Cc4cccc(F)c4)C3)c2cc1F ZINC001164995581 722212978 /nfs/dbraw/zinc/21/29/78/722212978.db2.gz JTXMDNZMNZOAFC-XMMPIXPASA-N 0 3 409.480 4.767 20 0 HJADHN COc1ccc2ccnc(N3CCC4(CCCN4Cc4csc(C)n4)CC3)c2c1 ZINC001164691246 719811889 /nfs/dbraw/zinc/81/18/89/719811889.db2.gz BWKAUDRVGMQIHT-UHFFFAOYSA-N 0 3 408.571 4.643 20 0 HJADHN CC(C)(C)c1ccc(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)nc1 ZINC001164912623 721736817 /nfs/dbraw/zinc/73/68/17/721736817.db2.gz OYKLTAJVLZLJFI-QFIPXVFZSA-N 0 3 400.517 4.512 20 0 HJADHN Fc1cccc(CN2CC[C@@]23CCCN(c2csc4ncnc(Cl)c24)C3)c1 ZINC001164994584 722197380 /nfs/dbraw/zinc/19/73/80/722197380.db2.gz ODPLCDVYHYIUDR-HXUWFJFHSA-N 0 3 402.926 4.729 20 0 HJADHN Fc1cccc(CN2CC[C@]23CCCN(c2nc(C4CCC4)nc4[nH]ccc42)C3)c1 ZINC001164995766 722213962 /nfs/dbraw/zinc/21/39/62/722213962.db2.gz KNAFXKDYSDPRSP-DEOSSOPVSA-N 0 3 405.521 4.609 20 0 HJADHN c1ccc(-c2nc3ccccc3c(N3CC[C@H]4[C@@H]3CCN4Cc3cccnc3)n2)cc1 ZINC001164725855 720369665 /nfs/dbraw/zinc/36/96/65/720369665.db2.gz NVBZLSZSQQLTSV-ZEQRLZLVSA-N 0 3 407.521 4.545 20 0 HJADHN Fc1cccc2c1ccnc2N1CCC(F)(F)[C@@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164905535 721709443 /nfs/dbraw/zinc/70/94/43/721709443.db2.gz HEGPZVDHIVFLOC-JOCHJYFZSA-N 0 3 412.459 4.507 20 0 HJADHN Fc1cccc(CN2CC[C@]23CCCN(c2ncnc4c2ccn4C2CCCC2)C3)c1 ZINC001164994446 722202116 /nfs/dbraw/zinc/20/21/16/722202116.db2.gz HDEVEUVLHNUAIT-VWLOTQADSA-N 0 3 419.548 4.930 20 0 HJADHN Cc1ccc(-c2nnc(N3CC[C@H]4[C@@H]3CCN4Cc3cccnc3)c3ccccc32)cc1 ZINC001164732815 720432454 /nfs/dbraw/zinc/43/24/54/720432454.db2.gz OFTMXZSFKIXSSY-DQEYMECFSA-N 0 3 421.548 4.853 20 0 HJADHN Fc1cccc(CN2CC[C@@]23CCCN(c2ncnc4sc5c(c42)CCC5)C3)c1 ZINC001164995375 722207801 /nfs/dbraw/zinc/20/78/01/722207801.db2.gz MVZZQCSVJZFFAX-HSZRJFAPSA-N 0 3 408.546 4.564 20 0 HJADHN COc1cc2ccnc(N3CCC[C@]4(CCN4Cc4cccc(F)c4)C3)c2cc1F ZINC001164995572 722212634 /nfs/dbraw/zinc/21/26/34/722212634.db2.gz JTXMDNZMNZOAFC-DEOSSOPVSA-N 0 3 409.480 4.767 20 0 HJADHN Cc1nc(-c2ccccc2Cl)nc(N2CC[C@@H]3[C@@H]2CCN3Cc2cccnc2)c1C ZINC001164732410 720459680 /nfs/dbraw/zinc/45/96/80/720459680.db2.gz NECNCVSVANMKKI-YADHBBJMSA-N 0 3 419.960 4.662 20 0 HJADHN FC(F)(F)Oc1ccc(OC2CCN(c3ncccc3CN3CCCC3)CC2)cc1 ZINC001165050503 721979884 /nfs/dbraw/zinc/97/98/84/721979884.db2.gz UAQDLRQWCPSZTG-UHFFFAOYSA-N 0 3 421.463 4.624 20 0 HJADHN COc1ccc2c(ccnc2N2CCC3(CCCN3Cc3csc(C)n3)CC2)c1 ZINC001164691502 719806066 /nfs/dbraw/zinc/80/60/66/719806066.db2.gz IKWDHFDHBWHXCS-UHFFFAOYSA-N 0 3 408.571 4.643 20 0 HJADHN COc1ccc2cnc(N3CCC4(CCCN4Cc4csc(C)n4)CC3)cc2c1 ZINC001164692627 719811900 /nfs/dbraw/zinc/81/19/00/719811900.db2.gz PPVFTOSUKYCEGR-UHFFFAOYSA-N 0 3 408.571 4.643 20 0 HJADHN Fc1cccc(CN2CC[C@@]23CCCN(c2nc(Cl)nc4ccc(F)cc42)C3)c1 ZINC001164993669 722193864 /nfs/dbraw/zinc/19/38/64/722193864.db2.gz HEIJZPDGMWIPJC-JOCHJYFZSA-N 0 3 414.887 4.806 20 0 HJADHN Cc1nc(-c2ccncc2)nc(N2CCC[C@]3(CCN3Cc3cccc(F)c3)C2)c1C ZINC001164994346 722210603 /nfs/dbraw/zinc/21/06/03/722210603.db2.gz AWJLXKDYBDAAKW-VWLOTQADSA-N 0 3 417.532 4.539 20 0 HJADHN FC1(F)CCN(c2cc(Cl)cc(Cl)n2)C[C@@]12CCN(Cc1ccccn1)C2 ZINC001164904595 721584016 /nfs/dbraw/zinc/58/40/16/721584016.db2.gz RPYGVMCFDICORY-SFHVURJKSA-N 0 3 413.299 4.521 20 0 HJADHN Fc1ccc2ccc(N3CCC(F)(F)[C@@]4(CCN(Cc5ccccn5)C4)C3)nc2c1 ZINC001164909705 721726253 /nfs/dbraw/zinc/72/62/53/721726253.db2.gz DDISUTYHJRBLSB-JOCHJYFZSA-N 0 3 412.459 4.507 20 0 HJADHN Fc1cccc(CN2CC[C@@]23CCCN(c2nc(C(F)F)nc4ccccc42)C3)c1 ZINC001164996632 722210191 /nfs/dbraw/zinc/21/01/91/722210191.db2.gz UOACMVUMBNFXJS-HSZRJFAPSA-N 0 3 412.459 4.951 20 0 HJADHN Cc1ccc(-c2nc3ccccc3c(N3CC[C@H]4[C@H]3CCN4Cc3cccnc3)n2)cc1 ZINC001164731383 720405813 /nfs/dbraw/zinc/40/58/13/720405813.db2.gz ZHSQGDLUAAHBIB-LOSJGSFVSA-N 0 3 421.548 4.853 20 0 HJADHN Cc1nc2sc3c(c2c(N2CC[C@@H]4[C@H]2CCN4Cc2cccnc2)n1)CCCCC3 ZINC001164730918 720442856 /nfs/dbraw/zinc/44/28/56/720442856.db2.gz JSLWWDJKWZTSFC-WOJBJXKFSA-N 0 3 419.598 4.517 20 0 HJADHN c1ccc2c(c1)cccc2-c1ccc(N2CC[C@H]3[C@H]2CCN3Cc2cccnc2)nn1 ZINC001164730247 720458036 /nfs/dbraw/zinc/45/80/36/720458036.db2.gz IWZHLMGQIBPPTA-LOSJGSFVSA-N 0 3 407.521 4.545 20 0 HJADHN Cc1c(Cl)nc2cc(F)cc(F)c2c1N1CC[C@H]2[C@@H]1CCN2Cc1cccnc1 ZINC001164728340 720474990 /nfs/dbraw/zinc/47/49/90/720474990.db2.gz PFUAOYRQAYEDDS-OALUTQOASA-N 0 3 414.887 4.723 20 0 HJADHN Cn1cc(CN2CC[C@@H]3CN(c4cc(-c5ccccc5)c5ccccc5n4)C[C@H]3C2)cn1 ZINC001164769522 721192036 /nfs/dbraw/zinc/19/20/36/721192036.db2.gz MQDRKODHRZTPOT-DHIUTWEWSA-N 0 3 423.564 4.594 20 0 HJADHN FC1(F)CCN(c2cc(Cl)cc(Cl)n2)C[C@]12CCN(Cc1ccccn1)C2 ZINC001164904593 721584293 /nfs/dbraw/zinc/58/42/93/721584293.db2.gz RPYGVMCFDICORY-GOSISDBHSA-N 0 3 413.299 4.521 20 0 HJADHN c1csc(CN2C[C@H]3CC[C@@H](C2)N3c2nc(-c3ccncc3)nc3sccc32)c1 ZINC001164937848 721914452 /nfs/dbraw/zinc/91/44/52/721914452.db2.gz TUAALZYJXUNGKT-CALCHBBNSA-N 0 3 419.579 4.668 20 0 HJADHN CSc1ccc2ncnc(N3CCC[C@]4(CCN4Cc4cccc(F)c4)C3)c2c1 ZINC001164994713 722212074 /nfs/dbraw/zinc/21/20/74/722212074.db2.gz CNMUMEFNBNNIOC-QHCPKHFHSA-N 0 3 408.546 4.736 20 0 HJADHN Cc1nc(-c2ccccc2Cl)nc(N2CC[C@H]3[C@@H]2CCN3Cc2cccnc2)c1C ZINC001164732409 720459507 /nfs/dbraw/zinc/45/95/07/720459507.db2.gz NECNCVSVANMKKI-VXKWHMMOSA-N 0 3 419.960 4.662 20 0 HJADHN Cc1ccc2nc(N3CCC(F)(F)[C@@]4(CCN(Cc5ccccn5)C4)C3)ccc2c1 ZINC001164902235 721583899 /nfs/dbraw/zinc/58/38/99/721583899.db2.gz DLJCICHTKCGFTJ-HSZRJFAPSA-N 0 3 408.496 4.676 20 0 HJADHN Fc1ccc2cc(N3CCC(F)(F)[C@]4(CCN(Cc5ccccn5)C4)C3)ncc2c1 ZINC001164913918 721727244 /nfs/dbraw/zinc/72/72/44/721727244.db2.gz ZLEKGNYNOQPMRM-QFIPXVFZSA-N 0 3 412.459 4.507 20 0 HJADHN Fc1ccc2cc(N3CCC(F)(F)[C@@]4(CCN(Cc5ccccn5)C4)C3)ncc2c1 ZINC001164913916 721727431 /nfs/dbraw/zinc/72/74/31/721727431.db2.gz ZLEKGNYNOQPMRM-JOCHJYFZSA-N 0 3 412.459 4.507 20 0 HJADHN Cc1nc(-c2ccncc2)nc(N2CCC[C@@]3(CCN3Cc3cccc(F)c3)C2)c1C ZINC001164994345 722210455 /nfs/dbraw/zinc/21/04/55/722210455.db2.gz AWJLXKDYBDAAKW-RUZDIDTESA-N 0 3 417.532 4.539 20 0 HJADHN FC(F)(c1cc(C2CC2)nnc1Cl)N1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC001164630177 719099895 /nfs/dbraw/zinc/09/98/95/719099895.db2.gz VVZUJVQILZKBEP-FXAWDEMLSA-N 0 3 418.919 4.653 20 0 HJADHN Cc1ccc(-c2nnc(N3CC[C@H]4[C@H]3CCN4Cc3cccnc3)c3ccccc32)cc1 ZINC001164732817 720431761 /nfs/dbraw/zinc/43/17/61/720431761.db2.gz OFTMXZSFKIXSSY-LOSJGSFVSA-N 0 3 421.548 4.853 20 0 HJADHN Cc1ccc(-c2nnc(N3CC[C@@H]4[C@H]3CCN4Cc3cccnc3)c3ccccc32)cc1 ZINC001164732816 720432917 /nfs/dbraw/zinc/43/29/17/720432917.db2.gz OFTMXZSFKIXSSY-JWQCQUIFSA-N 0 3 421.548 4.853 20 0 HJADHN Fc1cccc(CN2CC[C@]23CCCN(c2cc(F)cc4ncnc(Cl)c42)C3)c1 ZINC001164995885 722206465 /nfs/dbraw/zinc/20/64/65/722206465.db2.gz PQOHFSGVEGRSEE-QFIPXVFZSA-N 0 3 414.887 4.806 20 0 HJADHN Cc1nc(-c2ccccn2)nc(N2CCC[C@@]3(CCN3Cc3cccc(F)c3)C2)c1C ZINC001164999103 722210928 /nfs/dbraw/zinc/21/09/28/722210928.db2.gz ZNGJMNMOHFYYBV-RUZDIDTESA-N 0 3 417.532 4.539 20 0 HJADHN