smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1nc(CN2CCCC23CCN(c2nc(Cl)ccc2CN2CCCC2)CC3)cs1 ZINC001164693101 719809892 /nfs/dbraw/zinc/80/98/92/719809892.db2.gz QCRHUPAUMBNESK-UHFFFAOYSA-N 0 3 446.064 4.731 20 0 IJADHN Cc1sc2ncnc(N3CC[C@@H]4[C@@H]3CCN4Cc3cccnc3)c2c1-c1ccccc1 ZINC001164734423 720439828 /nfs/dbraw/zinc/43/98/28/720439828.db2.gz RZARAGGDWQJEJF-RTWAWAEBSA-N 0 3 427.577 4.915 20 0 IJADHN COc1ccc2c(C)cc(N3CCC(F)(F)[C@]4(CCN(Cc5ccccn5)C4)C3)nc2c1 ZINC001164908314 721712528 /nfs/dbraw/zinc/71/25/28/721712528.db2.gz WZEMGTTVGDPWJS-DEOSSOPVSA-N 0 3 438.522 4.685 20 0 IJADHN FC(F)c1nc2ccccc2c(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)n1 ZINC001164912825 721728913 /nfs/dbraw/zinc/72/89/13/721728913.db2.gz QLLRMGXIAVXEMY-QFIPXVFZSA-N 0 3 445.464 4.700 20 0 IJADHN Cc1cc(N2CCC3(CC2)COCCN(Cc2ccncc2)C3)nc2c(Cl)cccc12 ZINC001164961690 722058523 /nfs/dbraw/zinc/05/85/23/722058523.db2.gz OFVLPURZTJHNAT-UHFFFAOYSA-N 0 3 436.987 4.711 20 0 IJADHN COC(=O)C[C@@H](c1ccnc(N2CCC[C@]3(CCN3Cc3cccc(F)c3)C2)c1)C1CC1 ZINC001164994832 722207141 /nfs/dbraw/zinc/20/71/41/722207141.db2.gz IOGQUKJNIMZPHO-BVAGGSTKSA-N 0 3 437.559 4.522 20 0 IJADHN FC(F)(Cc1nc(Cl)cc(Cl)n1)N1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC001164622533 719092796 /nfs/dbraw/zinc/09/27/96/719092796.db2.gz CBIDAYPVDRIUMW-HOTGVXAUSA-N 0 3 427.326 4.515 20 0 IJADHN COc1ccc(-c2csc3ncnc(N4CC[C@H]5[C@H]4CCN5Cc4cccnc4)c23)cc1 ZINC001164731547 720437014 /nfs/dbraw/zinc/43/70/14/720437014.db2.gz LVKHGHYWUOVDIC-FCHUYYIVSA-N 0 3 443.576 4.615 20 0 IJADHN Cc1ccc(-c2nc3ccccc3c(N3CC[C@H]4[C@H]3CCN4Cc3cccnc3)n2)s1 ZINC001164726242 720452156 /nfs/dbraw/zinc/45/21/56/720452156.db2.gz BEMXNHPAAGNTHE-FCHUYYIVSA-N 0 3 427.577 4.915 20 0 IJADHN CCCOc1c(Br)cc(Br)cc1CNC[C@H](O)c1ccccc1 ZINC000020929794 520289152 /nfs/dbraw/zinc/28/91/52/520289152.db2.gz UEWXJFBRPPZIOZ-KRWDZBQOSA-N 0 3 443.179 4.824 20 0 IJADHN CCOc1c(Br)cc(CNCc2ccc(OC)cc2)cc1Br ZINC000010475401 557221278 /nfs/dbraw/zinc/22/12/78/557221278.db2.gz LRHVLWYQVFFTGE-UHFFFAOYSA-N 0 3 429.152 4.909 20 0 IJADHN Cc1nc(CN2CCCC23CCN(c2ncnc4c2ccn4C2CCCC2)CC3)cs1 ZINC001164692612 719809612 /nfs/dbraw/zinc/80/96/12/719809612.db2.gz LHPDZKVEJSAVBX-UHFFFAOYSA-N 0 3 436.629 4.946 20 0 IJADHN Cc1sc2nc(-c3cccnc3)nc(N3CC[C@H]4[C@H]3CCN4Cc3cccnc3)c2c1C ZINC001164735061 720437811 /nfs/dbraw/zinc/43/78/11/720437811.db2.gz VMDNBALHRVPUIK-LEWJYISDSA-N 0 3 442.592 4.618 20 0 IJADHN Fc1ccc(-c2nc3ccccc3c(N3CC[C@@H]4[C@@H]3CCN4Cc3cccnc3)n2)cc1 ZINC001164734448 720437884 /nfs/dbraw/zinc/43/78/84/720437884.db2.gz SEADDNYLYZEDAG-RPWUZVMVSA-N 0 3 425.511 4.684 20 0 IJADHN Cc1nc2scc(-c3cccs3)c2c(N2CC[C@H]3[C@H]2CCN3Cc2cccnc2)n1 ZINC001164732905 720440209 /nfs/dbraw/zinc/44/02/09/720440209.db2.gz OUMVLVVRGJKLDL-RBUKOAKNSA-N 0 3 433.606 4.976 20 0 IJADHN Cc1cccc2nc(Cl)nc(N3CCC(F)(F)[C@@]4(CCN(Cc5ccccn5)C4)C3)c12 ZINC001164908106 721717433 /nfs/dbraw/zinc/71/74/33/721717433.db2.gz VSJCYZZCBUUFMA-JOCHJYFZSA-N 0 3 443.929 4.724 20 0 IJADHN Cc1ccc2c(c1)nc(Cl)cc2N1CCC2(CC1)COCCN(Cc1ccncc1)C2 ZINC001164963813 722057111 /nfs/dbraw/zinc/05/71/11/722057111.db2.gz MFXYZVRTIMBULP-UHFFFAOYSA-N 0 3 436.987 4.711 20 0 IJADHN Clc1cc(-c2ccccc2)cc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164977464 722116773 /nfs/dbraw/zinc/11/67/73/722116773.db2.gz NHZZIXXUKPSJQR-GGAORHGYSA-N 0 3 434.971 4.524 20 0 IJADHN Clc1ccc2ccc(Cl)c(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)c2n1 ZINC001164977174 722153610 /nfs/dbraw/zinc/15/36/10/722153610.db2.gz YERLYOIVPHRXEF-ICSRJNTNSA-N 0 3 443.378 4.664 20 0 IJADHN CCCOc1c(Br)cc(Br)cc1CNC[C@@H]1CCCN1CC ZINC000020967922 520289307 /nfs/dbraw/zinc/28/93/07/520289307.db2.gz NJRRUFSWTWCBIE-HNNXBMFYSA-N 0 3 434.216 4.574 20 0 IJADHN Fc1cccc2nc(Cl)nc(N3CCC(F)(F)[C@@]4(CCN(Cc5ccccn5)C4)C3)c12 ZINC001164908524 721698613 /nfs/dbraw/zinc/69/86/13/721698613.db2.gz ZXAXSENWAWPFSX-OAQYLSRUSA-N 0 3 447.892 4.555 20 0 IJADHN Cc1nc2cc(Cl)ccc2c(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)n1 ZINC001164904849 721704960 /nfs/dbraw/zinc/70/49/60/721704960.db2.gz DMFNQFZXIPGJDA-JOCHJYFZSA-N 0 3 443.929 4.724 20 0 IJADHN Cc1cccc2nc(Cl)nc(N3CCC(F)(F)[C@]4(CCN(Cc5ccccn5)C4)C3)c12 ZINC001164908108 721716937 /nfs/dbraw/zinc/71/69/37/721716937.db2.gz VSJCYZZCBUUFMA-QFIPXVFZSA-N 0 3 443.929 4.724 20 0 IJADHN Cc1csc2c1nc(Cl)cc2N1CCC2(CC1)COCCN(Cc1ccncc1)C2 ZINC001164962344 722058501 /nfs/dbraw/zinc/05/85/01/722058501.db2.gz RDXQIVVFWXEOFA-UHFFFAOYSA-N 0 3 443.016 4.772 20 0 IJADHN Cc1nc2scc(-c3cccs3)c2c(N2CC[C@@H]3[C@H]2CCN3Cc2cccnc2)n1 ZINC001164732911 720440514 /nfs/dbraw/zinc/44/05/14/720440514.db2.gz OUMVLVVRGJKLDL-RTBURBONSA-N 0 3 433.606 4.976 20 0 IJADHN Fc1cccc(CN2CC[C@@]23CCCN(c2ncnc4c2ccn4Cc2ccccc2)C3)c1 ZINC001164995632 722202271 /nfs/dbraw/zinc/20/22/71/722202271.db2.gz OSQFJHSRIDOCME-HHHXNRCGSA-N 0 3 441.554 4.864 20 0 IJADHN Cc1cc(N2CCC[C@@]3(CCN3Cc3cccc(F)c3)C2)nc(-c2ccc(Cl)nc2)n1 ZINC001164999119 722212049 /nfs/dbraw/zinc/21/20/49/722212049.db2.gz ZNWBZLGVGWKORU-XMMPIXPASA-N 0 3 437.950 4.884 20 0 IJADHN CCc1nc2c(nc(C)cc2C)n1Cc1ccc(/C=C/CN2CCN(C(C)C)CC2)cc1 ZINC000096307260 563197397 /nfs/dbraw/zinc/19/73/97/563197397.db2.gz UAMIBPKKKLTAKG-BQYQJAHWSA-N 0 3 431.628 4.698 20 0 IJADHN Cc1ccc(-c2csc3ncnc(N4CC[C@H]5[C@@H]4CCN5Cc4cccnc4)c23)cc1 ZINC001164723146 720371655 /nfs/dbraw/zinc/37/16/55/720371655.db2.gz GHBICODWDZFFPY-VXKWHMMOSA-N 0 3 427.577 4.915 20 0 IJADHN Fc1cccc(O[C@H]2C[C@@H]3CN(c4nc(C(F)F)nc5ccc(Cl)cc54)CCN3C2)c1 ZINC001164906423 721563737 /nfs/dbraw/zinc/56/37/37/721563737.db2.gz IYQAPAKZISMKMN-WBVHZDCISA-N 0 3 448.876 4.702 20 0 IJADHN Fc1ccc2c(Cl)ncnc2c1N1CCC(F)(F)[C@@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164913838 721738157 /nfs/dbraw/zinc/73/81/57/721738157.db2.gz YUWKQUCMOOSQTI-OAQYLSRUSA-N 0 3 447.892 4.555 20 0 IJADHN COCc1cc(N2CCC[C@@]3(CCN3Cc3cccc(F)c3)C2)nc(-c2ccccc2)n1 ZINC001164994200 722193177 /nfs/dbraw/zinc/19/31/77/722193177.db2.gz LRYQPWLUDLGXHQ-AREMUKBSSA-N 0 3 432.543 4.674 20 0 IJADHN CN(C)Cc1ccnc(N2CCC(O[C@H](c3ccc(Cl)cc3)c3ccccn3)CC2)c1 ZINC001164625425 719131207 /nfs/dbraw/zinc/13/12/07/719131207.db2.gz XHVZIUANTZRKBU-RUZDIDTESA-N 0 3 436.987 4.967 20 0 IJADHN Fc1ccc(-c2nc3ccccc3c(N3CC[C@H]4[C@@H]3CCN4Cc3cccnc3)n2)cc1 ZINC001164734450 720438789 /nfs/dbraw/zinc/43/87/89/720438789.db2.gz SEADDNYLYZEDAG-ZEQRLZLVSA-N 0 3 425.511 4.684 20 0 IJADHN FC1(F)CCN(c2nc(Cl)nc3c2CCCCC3)C[C@]12CCN(Cc1ccccn1)C2 ZINC001164906595 721701450 /nfs/dbraw/zinc/70/14/50/721701450.db2.gz NOXIFCPRLWPYBL-JOCHJYFZSA-N 0 3 447.961 4.532 20 0 IJADHN Cc1cccc2c(Cl)nnc(N3CCC(F)(F)[C@@]4(CCN(Cc5ccccn5)C4)C3)c12 ZINC001164903564 721703208 /nfs/dbraw/zinc/70/32/08/721703208.db2.gz ADSJYJMWXVSJPH-JOCHJYFZSA-N 0 3 443.929 4.724 20 0 IJADHN Cc1ccc2c(c1)nc(Cl)nc2N1CCC(F)(F)[C@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164905590 721705140 /nfs/dbraw/zinc/70/51/40/721705140.db2.gz HVCTZYRBFFFSNZ-QFIPXVFZSA-N 0 3 443.929 4.724 20 0 IJADHN Cc1ccc2nc(Cl)cc(N3CCC4(CC3)COCCN(Cc3ccncc3)C4)c2c1 ZINC001164964799 722054702 /nfs/dbraw/zinc/05/47/02/722054702.db2.gz XTUFRTCJJZXZGR-UHFFFAOYSA-N 0 3 436.987 4.711 20 0 IJADHN Fc1ccc(Cl)c2ccc(N3CCC4(CC3)COCCN(Cc3ccncc3)C4)nc12 ZINC001164964251 722061991 /nfs/dbraw/zinc/06/19/91/722061991.db2.gz FOUQGSLQWSFQND-UHFFFAOYSA-N 0 3 440.950 4.541 20 0 IJADHN Clc1ccc2c(c1)nc(Cl)cc2N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164983199 722109557 /nfs/dbraw/zinc/10/95/57/722109557.db2.gz YLHGSSUHCGBGBP-JTSKRJEESA-N 0 3 443.378 4.664 20 0 IJADHN Fc1ccc(-c2csc3ncnc(N4CC[C@@H]5[C@H]4CCN5Cc4cccnc4)c23)cc1 ZINC001164728555 720431633 /nfs/dbraw/zinc/43/16/33/720431633.db2.gz FRWYCIZYDBAULR-NHCUHLMSSA-N 0 3 431.540 4.746 20 0 IJADHN Fc1ccc(-c2nc(Cl)cc(N3CC[C@H]4[C@H]3CCN4Cc3cccnc3)n2)cc1Cl ZINC001164724429 720471186 /nfs/dbraw/zinc/47/11/86/720471186.db2.gz GGPXPTPQUCUZHE-RBUKOAKNSA-N 0 3 444.341 4.838 20 0 IJADHN Fc1cccc(O[C@H]2C[C@H]3CN(c4nc(C(F)F)nc5ccc(Cl)cc54)CCN3C2)c1 ZINC001164906422 721563188 /nfs/dbraw/zinc/56/31/88/721563188.db2.gz IYQAPAKZISMKMN-RDJZCZTQSA-N 0 3 448.876 4.702 20 0 IJADHN Fc1ccc2nc(Cl)nc(N3CCC(F)(F)[C@]4(CCN(Cc5ccccn5)C4)C3)c2c1 ZINC001164904042 721587044 /nfs/dbraw/zinc/58/70/44/721587044.db2.gz CQAWUOARVDIAOW-NRFANRHFSA-N 0 3 447.892 4.555 20 0 IJADHN Cc1cccc2c1nc(Cl)nc2N1CCC(F)(F)[C@@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164906240 721696529 /nfs/dbraw/zinc/69/65/29/721696529.db2.gz MORIUTZYDSLFPU-JOCHJYFZSA-N 0 3 443.929 4.724 20 0 IJADHN Fc1cccc2c1nc(Cl)nc2N1CCC(F)(F)[C@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164907501 721700428 /nfs/dbraw/zinc/70/04/28/721700428.db2.gz UWYKTZIMBUUFAS-NRFANRHFSA-N 0 3 447.892 4.555 20 0 IJADHN CC[C@@H](C)c1nc2[nH]ccc2c(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)n1 ZINC001164911258 721738446 /nfs/dbraw/zinc/73/84/46/721738446.db2.gz JRICJVZNGKTRKF-UZUQRXQVSA-N 0 3 440.542 4.604 20 0 IJADHN Cc1cc(N2CCC3(CC2)COCCN(Cc2ccncc2)C3)nc2cc(Cl)ccc12 ZINC001164963340 722057616 /nfs/dbraw/zinc/05/76/16/722057616.db2.gz XAEOHJPZKPYIOX-UHFFFAOYSA-N 0 3 436.987 4.711 20 0 IJADHN COC(=O)C[C@@H](c1ccnc(N2CCC[C@@]3(CCN3Cc3cccc(F)c3)C2)c1)C1CC1 ZINC001164994838 722207146 /nfs/dbraw/zinc/20/71/46/722207146.db2.gz IOGQUKJNIMZPHO-ZEQKJWHPSA-N 0 3 437.559 4.522 20 0 IJADHN COc1cc2c(cc1CN[C@H]1CCCN[C@H]1c1ccccc1)[C@](C)(C(F)(F)F)OCC2 ZINC000022448889 523002980 /nfs/dbraw/zinc/00/29/80/523002980.db2.gz ODEBBNRINYMIRX-ACIOBRDBSA-N 0 3 434.502 4.628 20 0 IJADHN COc1cc2cnc(N3CCC4(CCCN4Cc4csc(C)n4)CC3)cc2cc1OC ZINC001164693438 719814638 /nfs/dbraw/zinc/81/46/38/719814638.db2.gz VBQYBGRSSUCDIJ-UHFFFAOYSA-N 0 3 438.597 4.652 20 0 IJADHN Clc1ccc(-c2nc3c(c(N4CC[C@@H]5[C@H]4CCN5Cc4cccnc4)n2)CCC3)s1 ZINC001164733872 720463059 /nfs/dbraw/zinc/46/30/59/720463059.db2.gz QIVKFLGJQBQCIK-RTBURBONSA-N 0 3 438.000 4.595 20 0 IJADHN CSc1nc2sccc2c(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)n1 ZINC001164908377 721586013 /nfs/dbraw/zinc/58/60/13/721586013.db2.gz YTPWSVNKGVLLSO-HXUWFJFHSA-N 0 3 447.580 4.546 20 0 IJADHN CC(C)c1ccc2ncnc(N3CCC(F)(F)[C@@]4(CCN(Cc5ccccn5)C4)C3)c2c1 ZINC001164913122 721725537 /nfs/dbraw/zinc/72/55/37/721725537.db2.gz TYPNCBZWABDYKO-XMMPIXPASA-N 0 3 437.538 4.886 20 0 IJADHN FC(F)(Cc1nc(Cl)cc(Cl)n1)N1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC001164622527 719092708 /nfs/dbraw/zinc/09/27/08/719092708.db2.gz CBIDAYPVDRIUMW-CVEARBPZSA-N 0 3 427.326 4.515 20 0 IJADHN Cc1ccc(-c2csc3ncnc(N4CC[C@@H]5[C@H]4CCN5Cc4cccnc4)c23)cc1 ZINC001164723143 720370550 /nfs/dbraw/zinc/37/05/50/720370550.db2.gz GHBICODWDZFFPY-FGZHOGPDSA-N 0 3 427.577 4.915 20 0 IJADHN Fc1ccc(-c2nnc(N3CC[C@H]4[C@H]3CCN4Cc3cccnc3)c3ccccc32)cc1 ZINC001164731531 720440247 /nfs/dbraw/zinc/44/02/47/720440247.db2.gz LNOFWKIXMXLGSF-BJKOFHAPSA-N 0 3 425.511 4.684 20 0 IJADHN Fc1ccc(-c2nnc(N3CC[C@@H]4[C@H]3CCN4Cc3cccnc3)c3ccccc32)cc1 ZINC001164731532 720440774 /nfs/dbraw/zinc/44/07/74/720440774.db2.gz LNOFWKIXMXLGSF-DNQXCXABSA-N 0 3 425.511 4.684 20 0 IJADHN FC(F)(c1ccc2ccc(Cl)nc2c1)N1CCCn2cnc(CNC3CCC3)c2C1 ZINC001164838674 720736470 /nfs/dbraw/zinc/73/64/70/720736470.db2.gz WJSRRESYKXKKBC-UHFFFAOYSA-N 0 3 431.918 4.682 20 0 IJADHN CC(C)c1cc2c(ncnc2N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)s1 ZINC001164905746 721583293 /nfs/dbraw/zinc/58/32/93/721583293.db2.gz VVSUNXPVPRLXQR-QFIPXVFZSA-N 0 3 443.567 4.947 20 0 IJADHN Fc1cccc2nc(Cl)nc(N3CCC(F)(F)[C@]4(CCN(Cc5ccccn5)C4)C3)c12 ZINC001164908523 721698357 /nfs/dbraw/zinc/69/83/57/721698357.db2.gz ZXAXSENWAWPFSX-NRFANRHFSA-N 0 3 447.892 4.555 20 0 IJADHN Fc1cc2ncnc(Cl)c2c(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)c1 ZINC001164907279 721718519 /nfs/dbraw/zinc/71/85/19/721718519.db2.gz QJZVJDDXAOUIND-OAQYLSRUSA-N 0 3 447.892 4.555 20 0 IJADHN CC(C)c1ccc2ncnc(N3CCC(F)(F)[C@]4(CCN(Cc5ccccn5)C4)C3)c2c1 ZINC001164913121 721725210 /nfs/dbraw/zinc/72/52/10/721725210.db2.gz TYPNCBZWABDYKO-DEOSSOPVSA-N 0 3 437.538 4.886 20 0 IJADHN CC[C@H](C)c1nc2[nH]ccc2c(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)n1 ZINC001164911255 721738286 /nfs/dbraw/zinc/73/82/86/721738286.db2.gz JRICJVZNGKTRKF-GAJHUEQPSA-N 0 3 440.542 4.604 20 0 IJADHN CC(C)(C)c1noc(-c2ccnc(N3CCC[C@@]4(CCN4Cc4cccc(F)c4)C3)c2)n1 ZINC001164994407 722206621 /nfs/dbraw/zinc/20/66/21/722206621.db2.gz GFJJWCKJBPKZKA-RUZDIDTESA-N 0 3 435.547 4.813 20 0 IJADHN c1csc(CN2CCOC3(CCN(c4nc(N5CCCC5)cc5ccccc54)CC3)C2)c1 ZINC001164707287 719899205 /nfs/dbraw/zinc/89/92/05/719899205.db2.gz OKZGKITULKGWCX-UHFFFAOYSA-N 0 3 448.636 4.768 20 0 IJADHN COc1ccc(-c2csc3ncnc(N4CC[C@H]5[C@@H]4CCN5Cc4cccnc4)c23)cc1 ZINC001164731549 720436434 /nfs/dbraw/zinc/43/64/34/720436434.db2.gz LVKHGHYWUOVDIC-VXKWHMMOSA-N 0 3 443.576 4.615 20 0 IJADHN Fc1ccc(-c2nc3ccccc3c(N3CC[C@@H]4[C@H]3CCN4Cc3cccnc3)n2)cc1 ZINC001164734446 720437773 /nfs/dbraw/zinc/43/77/73/720437773.db2.gz SEADDNYLYZEDAG-DNQXCXABSA-N 0 3 425.511 4.684 20 0 IJADHN Clc1cccc(-c2nc3c(c(N4CC[C@@H]5[C@@H]4CCN5Cc4cccnc4)n2)CCCC3)c1 ZINC001164725834 720462600 /nfs/dbraw/zinc/46/26/00/720462600.db2.gz BDMNUZQCPHLWBI-RPWUZVMVSA-N 0 3 445.998 4.924 20 0 IJADHN FC(F)(c1cc2ccccc2nc1Cl)N1CCCn2cnc(CNC3CCC3)c2C1 ZINC001164837430 720738392 /nfs/dbraw/zinc/73/83/92/720738392.db2.gz JIRBECUSQINSGK-UHFFFAOYSA-N 0 3 431.918 4.682 20 0 IJADHN FC(F)(c1cccc2c(Cl)nccc21)N1CCCn2cnc(CNC3CCC3)c2C1 ZINC001164838665 720739311 /nfs/dbraw/zinc/73/93/11/720739311.db2.gz VWCJSOFHHMTFNS-UHFFFAOYSA-N 0 3 431.918 4.682 20 0 IJADHN Cc1cccc2c(Cl)nnc(N3CCC(F)(F)[C@]4(CCN(Cc5ccccn5)C4)C3)c12 ZINC001164903566 721702228 /nfs/dbraw/zinc/70/22/28/721702228.db2.gz ADSJYJMWXVSJPH-QFIPXVFZSA-N 0 3 443.929 4.724 20 0 IJADHN Cc1nc(C2CCCCC2)cc(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)n1 ZINC001164904352 721720908 /nfs/dbraw/zinc/72/09/08/721720908.db2.gz CCYDNXROHSIQES-DEOSSOPVSA-N 0 3 441.570 4.965 20 0 IJADHN Cc1c[nH]c2nc(Cl)cc(N3CCC(F)(F)[C@]4(CCN(Cc5ccccn5)C4)C3)c12 ZINC001164906495 721721938 /nfs/dbraw/zinc/72/19/38/721721938.db2.gz MJEQDSIIGKXNSD-NRFANRHFSA-N 0 3 431.918 4.657 20 0 IJADHN CC[C@H](C)c1nc2[nH]ccc2c(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)n1 ZINC001164911257 721738751 /nfs/dbraw/zinc/73/87/51/721738751.db2.gz JRICJVZNGKTRKF-SBUREZEXSA-N 0 3 440.542 4.604 20 0 IJADHN COC(=O)C[C@H](c1ccnc(N2CCC[C@@]3(CCN3Cc3cccc(F)c3)C2)c1)C1CC1 ZINC001164994834 722206945 /nfs/dbraw/zinc/20/69/45/722206945.db2.gz IOGQUKJNIMZPHO-JYFHCDHNSA-N 0 3 437.559 4.522 20 0 IJADHN COc1cc2c(cc1CN[C@H]1CCCN[C@H]1c1ccccc1)[C@@](C)(C(F)(F)F)OCC2 ZINC000040395238 563100700 /nfs/dbraw/zinc/10/07/00/563100700.db2.gz ODEBBNRINYMIRX-PMVMPFDFSA-N 0 3 434.502 4.628 20 0 IJADHN CC(C)N(C)Cc1nn(C(F)(F)c2ccc(-c3ccnc(Cl)c3)cc2)c2c1CCNC2 ZINC001164684995 719611715 /nfs/dbraw/zinc/61/17/15/719611715.db2.gz PWPXTRUGOPYOAL-UHFFFAOYSA-N 0 3 445.945 4.682 20 0 IJADHN Clc1cccc(-c2nc3c(c(N4CC[C@H]5[C@H]4CCN5Cc4cccnc4)n2)CCCC3)c1 ZINC001164725824 720459430 /nfs/dbraw/zinc/45/94/30/720459430.db2.gz BDMNUZQCPHLWBI-BJKOFHAPSA-N 0 3 445.998 4.924 20 0 IJADHN Fc1ccc2c(Cl)nnc(N3CCC(F)(F)[C@]4(CCN(Cc5ccccn5)C4)C3)c2c1 ZINC001164910631 721732316 /nfs/dbraw/zinc/73/23/16/721732316.db2.gz HCKCJPBLHPNEOV-NRFANRHFSA-N 0 3 447.892 4.555 20 0 IJADHN COc1cc2c(cc1Cl)ncnc2N1CCC[C@]2(CCN2Cc2cccc(F)c2)C1 ZINC001164994028 722200377 /nfs/dbraw/zinc/20/03/77/722200377.db2.gz DCVLBNRGGSMPSC-QHCPKHFHSA-N 0 3 426.923 4.676 20 0 IJADHN CCCOc1c(Br)cc(Br)cc1CNC[C@@H](O)c1ccccc1 ZINC000020929788 520291018 /nfs/dbraw/zinc/29/10/18/520291018.db2.gz UEWXJFBRPPZIOZ-QGZVFWFLSA-N 0 3 443.179 4.824 20 0 IJADHN Fc1ccc(-c2nnc(N3CC[C@H]4[C@@H]3CCN4Cc3cccnc3)c3ccccc32)cc1 ZINC001164731534 720439931 /nfs/dbraw/zinc/43/99/31/720439931.db2.gz LNOFWKIXMXLGSF-ZEQRLZLVSA-N 0 3 425.511 4.684 20 0 IJADHN COc1ccc2c(C)cc(N3CCC(F)(F)[C@@]4(CCN(Cc5ccccn5)C4)C3)nc2c1 ZINC001164908319 721712612 /nfs/dbraw/zinc/71/26/12/721712612.db2.gz WZEMGTTVGDPWJS-XMMPIXPASA-N 0 3 438.522 4.685 20 0 IJADHN Cc1nc2c3ccccc3oc2c(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)n1 ZINC001164908933 721714344 /nfs/dbraw/zinc/71/43/44/721714344.db2.gz ZRQNPUFBXRTKTH-DEOSSOPVSA-N 0 3 449.505 4.817 20 0 IJADHN O=C1OC2(CCN(Cc3ccccc3)CC2)c2cnc(Cl)c(N3CCC34CCCC4)c21 ZINC001164399920 718845305 /nfs/dbraw/zinc/84/53/05/718845305.db2.gz KDLYCUUGIKPWBY-UHFFFAOYSA-N 0 3 437.971 4.920 20 0 IJADHN Cc1sc2nc(C)nc(N3CCC(F)(F)[C@]4(CCN(Cc5ccccn5)C4)C3)c2c1C ZINC001164907046 721702291 /nfs/dbraw/zinc/70/22/91/721702291.db2.gz QMXRJSXXEZMNBH-QFIPXVFZSA-N 0 3 443.567 4.749 20 0 IJADHN COc1ccc2nc(N3CCC(F)(F)[C@@]4(CCN(Cc5ccccn5)C4)C3)cc(C)c2c1 ZINC001164907406 721705447 /nfs/dbraw/zinc/70/54/47/721705447.db2.gz ROXMRUCKWYUILY-XMMPIXPASA-N 0 3 438.522 4.685 20 0 IJADHN Clc1ccc(Cl)c2nc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)ccc12 ZINC001164977864 722153628 /nfs/dbraw/zinc/15/36/28/722153628.db2.gz YYDVDEGACKODQX-DYESRHJHSA-N 0 3 443.378 4.664 20 0 IJADHN FC(F)(Cc1nc(Cl)cc(Cl)n1)N1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC001164622545 719093109 /nfs/dbraw/zinc/09/31/09/719093109.db2.gz CBIDAYPVDRIUMW-JKSUJKDBSA-N 0 3 427.326 4.515 20 0 IJADHN COc1ccc(-c2csc3ncnc(N4CC[C@@H]5[C@H]4CCN5Cc4cccnc4)c23)cc1 ZINC001164731548 720435661 /nfs/dbraw/zinc/43/56/61/720435661.db2.gz LVKHGHYWUOVDIC-FGZHOGPDSA-N 0 3 443.576 4.615 20 0 IJADHN CC(C)c1cc2c(ncnc2N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)s1 ZINC001164905745 721583387 /nfs/dbraw/zinc/58/33/87/721583387.db2.gz VVSUNXPVPRLXQR-JOCHJYFZSA-N 0 3 443.567 4.947 20 0 IJADHN Cc1ccc2c(C)cc(N3CCC4(CC3)COCCN(Cc3ccncc3)C4)nc2c1C ZINC001164961503 722060395 /nfs/dbraw/zinc/06/03/95/722060395.db2.gz KZPJKSBQCDUCGB-UHFFFAOYSA-N 0 3 430.596 4.674 20 0 IJADHN Clc1ccc(Cl)c2nc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)ccc12 ZINC001164977868 722153358 /nfs/dbraw/zinc/15/33/58/722153358.db2.gz YYDVDEGACKODQX-UTKZUKDTSA-N 0 3 443.378 4.664 20 0 IJADHN CC(C)(C)c1noc(-c2ccnc(N3CCC[C@]4(CCN4Cc4cccc(F)c4)C3)c2)n1 ZINC001164994408 722206763 /nfs/dbraw/zinc/20/67/63/722206763.db2.gz GFJJWCKJBPKZKA-VWLOTQADSA-N 0 3 435.547 4.813 20 0 IJADHN Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)CN[C@H](c1ccc(Cl)cc1)C(C)C ZINC000012774803 526293581 /nfs/dbraw/zinc/29/35/81/526293581.db2.gz CKKJRQHBUXVMSV-VWLOTQADSA-N 0 3 439.003 4.805 20 0 IJADHN CC(C)(CO)NCc1cc(Br)c(OCc2ccccc2)c(Br)c1 ZINC000010473856 557221197 /nfs/dbraw/zinc/22/11/97/557221197.db2.gz OGJJUMCGORHBEJ-UHFFFAOYSA-N 0 3 443.179 4.651 20 0 IJADHN COc1ccc(-c2csc3ncnc(N4CC[C@@H]5[C@@H]4CCN5Cc4cccnc4)c23)cc1 ZINC001164731551 720435438 /nfs/dbraw/zinc/43/54/38/720435438.db2.gz LVKHGHYWUOVDIC-YADHBBJMSA-N 0 3 443.576 4.615 20 0 IJADHN Cc1nc2scc(-c3cccs3)c2c(N2CC[C@H]3[C@@H]2CCN3Cc2cccnc2)n1 ZINC001164732900 720439852 /nfs/dbraw/zinc/43/98/52/720439852.db2.gz OUMVLVVRGJKLDL-OALUTQOASA-N 0 3 433.606 4.976 20 0 IJADHN FC(F)(c1ccc2ccnc(Cl)c2c1)N1CCCn2cnc(CNC3CCC3)c2C1 ZINC001164836098 720736806 /nfs/dbraw/zinc/73/68/06/720736806.db2.gz AGBRMLWMXXJZSK-UHFFFAOYSA-N 0 3 431.918 4.682 20 0 IJADHN CSc1nc2ccsc2c(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)n1 ZINC001164904836 721700286 /nfs/dbraw/zinc/70/02/86/721700286.db2.gz GVYCATQPQOHSBI-FQEVSTJZSA-N 0 3 447.580 4.546 20 0 IJADHN Cc1sc2nc(C)nc(N3CCC(F)(F)[C@@]4(CCN(Cc5ccccn5)C4)C3)c2c1C ZINC001164907044 721703184 /nfs/dbraw/zinc/70/31/84/721703184.db2.gz QMXRJSXXEZMNBH-JOCHJYFZSA-N 0 3 443.567 4.749 20 0 IJADHN Cc1ccc2c(c1)nc(Cl)nc2N1CCC(F)(F)[C@@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164905587 721704982 /nfs/dbraw/zinc/70/49/82/721704982.db2.gz HVCTZYRBFFFSNZ-JOCHJYFZSA-N 0 3 443.929 4.724 20 0 IJADHN COCc1cc(N2CCC[C@]3(CCN3Cc3cccc(F)c3)C2)nc(-c2ccccc2)n1 ZINC001164994202 722192873 /nfs/dbraw/zinc/19/28/73/722192873.db2.gz LRYQPWLUDLGXHQ-SANMLTNESA-N 0 3 432.543 4.674 20 0 IJADHN COc1ccc2c(Cl)cc(Cl)nc2c1N1CC[C@H]2[C@H]1CCN2Cc1cccnc1 ZINC001164723428 720408115 /nfs/dbraw/zinc/40/81/15/720408115.db2.gz GKWHSAVREDLOCK-ZWKOTPCHSA-N 0 3 429.351 4.798 20 0 IJADHN Cc1nc2scc(-c3cccs3)c2c(N2CC[C@@H]3[C@@H]2CCN3Cc2cccnc2)n1 ZINC001164732880 720440120 /nfs/dbraw/zinc/44/01/20/720440120.db2.gz OUMVLVVRGJKLDL-MOPGFXCFSA-N 0 3 433.606 4.976 20 0 IJADHN Clc1cccc(-c2nc3c(c(N4CC[C@H]5[C@@H]4CCN5Cc4cccnc4)n2)CCCC3)c1 ZINC001164725837 720463115 /nfs/dbraw/zinc/46/31/15/720463115.db2.gz BDMNUZQCPHLWBI-ZEQRLZLVSA-N 0 3 445.998 4.924 20 0 IJADHN Fc1ccc(-c2nc(Cl)cc(N3CC[C@H]4[C@@H]3CCN4Cc3cccnc3)n2)cc1Cl ZINC001164724427 720472150 /nfs/dbraw/zinc/47/21/50/720472150.db2.gz GGPXPTPQUCUZHE-OALUTQOASA-N 0 3 444.341 4.838 20 0 IJADHN Fc1cccc(O[C@@H]2C[C@@H]3CN(c4nc(C(F)F)nc5ccc(Cl)cc54)CCN3C2)c1 ZINC001164906421 721563320 /nfs/dbraw/zinc/56/33/20/721563320.db2.gz IYQAPAKZISMKMN-NVXWUHKLSA-N 0 3 448.876 4.702 20 0 IJADHN Cc1cc2c(nc(Cl)nc2N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)s1 ZINC001164907424 721697248 /nfs/dbraw/zinc/69/72/48/721697248.db2.gz SLHKPWVIMBMUND-FQEVSTJZSA-N 0 3 449.958 4.786 20 0 IJADHN Cc1cccc(COC[C@]23CCCO[C@H]2CCN(C(C)(C)c2ccnc(Cl)c2)C3)n1 ZINC001164957961 722027617 /nfs/dbraw/zinc/02/76/17/722027617.db2.gz CKRXQYMLHUEDBO-XUZZJYLKSA-N 0 3 429.992 4.761 20 0 IJADHN Fc1cccc(CN2CC[C@]23CCCN(c2nc(Cl)nc4c(Cl)nccc42)C3)c1 ZINC001164994423 722207360 /nfs/dbraw/zinc/20/73/60/722207360.db2.gz GPIXDXCRIPMENR-NRFANRHFSA-N 0 3 432.330 4.716 20 0 IJADHN FC(F)(F)c1ccccc1-c1cc(C(F)(F)N2CC[C@@H]3NCCO[C@H]3C2)cnc1Cl ZINC001164389162 718825371 /nfs/dbraw/zinc/82/53/71/718825371.db2.gz GZKUFKXYPPGPEF-IRXDYDNUSA-N 0 3 447.835 4.533 20 0 IJADHN COc1ccc2c(Cl)cc(Cl)nc2c1N1CC[C@@H]2[C@@H]1CCN2Cc1cccnc1 ZINC001164723423 720406993 /nfs/dbraw/zinc/40/69/93/720406993.db2.gz GKWHSAVREDLOCK-MSOLQXFVSA-N 0 3 429.351 4.798 20 0 IJADHN Cc1sc2nc(-c3cccnc3)nc(N3CC[C@H]4[C@@H]3CCN4Cc3cccnc3)c2c1C ZINC001164735064 720438243 /nfs/dbraw/zinc/43/82/43/720438243.db2.gz VMDNBALHRVPUIK-SFTDATJTSA-N 0 3 442.592 4.618 20 0 IJADHN Cc1ccc(-c2nc3ccccc3c(N3CC[C@@H]4[C@H]3CCN4Cc3cccnc3)n2)s1 ZINC001164726247 720452515 /nfs/dbraw/zinc/45/25/15/720452515.db2.gz BEMXNHPAAGNTHE-FGZHOGPDSA-N 0 3 427.577 4.915 20 0 IJADHN CSc1nc2sccc2c(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)n1 ZINC001164908375 721586523 /nfs/dbraw/zinc/58/65/23/721586523.db2.gz YTPWSVNKGVLLSO-FQEVSTJZSA-N 0 3 447.580 4.546 20 0 IJADHN Cc1nc(C2CCCCC2)cc(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)n1 ZINC001164904353 721720433 /nfs/dbraw/zinc/72/04/33/721720433.db2.gz CCYDNXROHSIQES-XMMPIXPASA-N 0 3 441.570 4.965 20 0 IJADHN Cc1cc(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)nc(-c2ccsc2)n1 ZINC001164909137 721728303 /nfs/dbraw/zinc/72/83/03/721728303.db2.gz CGWBXVAASNMBNV-JOCHJYFZSA-N 0 3 441.551 4.646 20 0 IJADHN Cc1cccc(COC[C@@]23CCCO[C@H]2CCN(C(C)(C)c2ccnc(Cl)c2)C3)n1 ZINC001164957960 722027723 /nfs/dbraw/zinc/02/77/23/722027723.db2.gz CKRXQYMLHUEDBO-URXFXBBRSA-N 0 3 429.992 4.761 20 0 IJADHN Clc1cc(-c2ccccc2)cc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164977461 722116195 /nfs/dbraw/zinc/11/61/95/722116195.db2.gz NHZZIXXUKPSJQR-FYYLOGMGSA-N 0 3 434.971 4.524 20 0 IJADHN Clc1ccc(Cl)c2nc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)ccc12 ZINC001164977870 722153584 /nfs/dbraw/zinc/15/35/84/722153584.db2.gz YYDVDEGACKODQX-UWJYYQICSA-N 0 3 443.378 4.664 20 0 IJADHN Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)CN[C@@H](c1ccc(Cl)cc1)C(C)C ZINC000012774799 526292904 /nfs/dbraw/zinc/29/29/04/526292904.db2.gz CKKJRQHBUXVMSV-RUZDIDTESA-N 0 3 439.003 4.805 20 0 IJADHN Fc1ccc2nc(-c3ccccc3F)nc(N3CC[C@@H]4[C@@H]3CCN4Cc3cccnc3)c2c1 ZINC001164729094 720359813 /nfs/dbraw/zinc/35/98/13/720359813.db2.gz WPVUWFTZUWCWAF-RPWUZVMVSA-N 0 3 443.501 4.823 20 0 IJADHN Cc1sc2ncnc(N3CC[C@H]4[C@H]3CCN4Cc3cccnc3)c2c1-c1ccccc1 ZINC001164734418 720439377 /nfs/dbraw/zinc/43/93/77/720439377.db2.gz RZARAGGDWQJEJF-LEWJYISDSA-N 0 3 427.577 4.915 20 0 IJADHN Fc1ccc(-c2nc(Cl)cc(N3CC[C@@H]4[C@@H]3CCN4Cc3cccnc3)n2)cc1Cl ZINC001164724423 720471169 /nfs/dbraw/zinc/47/11/69/720471169.db2.gz GGPXPTPQUCUZHE-MOPGFXCFSA-N 0 3 444.341 4.838 20 0 IJADHN Fc1ccc2nc(Cl)nc(N3CCC(F)(F)[C@@]4(CCN(Cc5ccccn5)C4)C3)c2c1 ZINC001164904052 721587205 /nfs/dbraw/zinc/58/72/05/721587205.db2.gz CQAWUOARVDIAOW-OAQYLSRUSA-N 0 3 447.892 4.555 20 0 IJADHN Cc1c[nH]c2nc(Cl)cc(N3CCC(F)(F)[C@@]4(CCN(Cc5ccccn5)C4)C3)c12 ZINC001164906497 721721896 /nfs/dbraw/zinc/72/18/96/721721896.db2.gz MJEQDSIIGKXNSD-OAQYLSRUSA-N 0 3 431.918 4.657 20 0 IJADHN Fc1cccc2c(N3CCC4(CC3)COCCN(Cc3ccncc3)C4)cc(Cl)nc12 ZINC001164963584 722061809 /nfs/dbraw/zinc/06/18/09/722061809.db2.gz BMWZYUHWDSRYRU-UHFFFAOYSA-N 0 3 440.950 4.541 20 0 IJADHN COc1ccc2c(Cl)cc(Cl)nc2c1N1CC[C@@H]2[C@H]1CCN2Cc1cccnc1 ZINC001164723425 720407696 /nfs/dbraw/zinc/40/76/96/720407696.db2.gz GKWHSAVREDLOCK-QZTJIDSGSA-N 0 3 429.351 4.798 20 0 IJADHN Fc1ccc(-c2csc3ncnc(N4CC[C@H]5[C@@H]4CCN5Cc4cccnc4)c23)cc1 ZINC001164728561 720432771 /nfs/dbraw/zinc/43/27/71/720432771.db2.gz FRWYCIZYDBAULR-SFTDATJTSA-N 0 3 431.540 4.746 20 0 IJADHN FC(F)(c1cccc2ccnc(Cl)c21)N1CCCn2cnc(CNC3CCC3)c2C1 ZINC001164836217 720738333 /nfs/dbraw/zinc/73/83/33/720738333.db2.gz CIXFDSHFYCLVPY-UHFFFAOYSA-N 0 3 431.918 4.682 20 0 IJADHN Cc1cc(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)nc(-c2cccs2)n1 ZINC001164910534 721728212 /nfs/dbraw/zinc/72/82/12/721728212.db2.gz FSKMMOCAVZFHSP-JOCHJYFZSA-N 0 3 441.551 4.646 20 0 IJADHN FC(F)(Cc1nc(Cl)cc(Cl)n1)N1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC001164622540 719092966 /nfs/dbraw/zinc/09/29/66/719092966.db2.gz CBIDAYPVDRIUMW-HZPDHXFCSA-N 0 3 427.326 4.515 20 0 IJADHN COc1cc2ccnc(N3CCC4(CCCN4Cc4csc(C)n4)CC3)c2cc1F ZINC001164703416 719816656 /nfs/dbraw/zinc/81/66/56/719816656.db2.gz VHNKUTIDTBIAOQ-UHFFFAOYSA-N 0 3 426.561 4.782 20 0 IJADHN Fc1ccc2nc(-c3ccccc3F)nc(N3CC[C@H]4[C@H]3CCN4Cc3cccnc3)c2c1 ZINC001164729092 720359113 /nfs/dbraw/zinc/35/91/13/720359113.db2.gz WPVUWFTZUWCWAF-BJKOFHAPSA-N 0 3 443.501 4.823 20 0 IJADHN Cc1sc2nc(-c3cccnc3)nc(N3CC[C@@H]4[C@@H]3CCN4Cc3cccnc3)c2c1C ZINC001164735063 720438447 /nfs/dbraw/zinc/43/84/47/720438447.db2.gz VMDNBALHRVPUIK-RTWAWAEBSA-N 0 3 442.592 4.618 20 0 IJADHN FC(F)(c1cc(Cl)nc2c1CCCCC2)N1CCCn2cnc(CNC3CCC3)c2C1 ZINC001164845251 720741475 /nfs/dbraw/zinc/74/14/75/720741475.db2.gz XYVIBSDCPWVWGY-UHFFFAOYSA-N 0 3 449.977 4.798 20 0 IJADHN FC1(F)CCN(c2nc(Cl)nc3c2CCCCC3)C[C@@]12CCN(Cc1ccccn1)C2 ZINC001164906604 721701932 /nfs/dbraw/zinc/70/19/32/721701932.db2.gz NOXIFCPRLWPYBL-QFIPXVFZSA-N 0 3 447.961 4.532 20 0 IJADHN Cc1cc(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)nc(-c2cccs2)n1 ZINC001164910535 721729253 /nfs/dbraw/zinc/72/92/53/721729253.db2.gz FSKMMOCAVZFHSP-QFIPXVFZSA-N 0 3 441.551 4.646 20 0 IJADHN Cc1cc(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)nc(-c2ccsc2)n1 ZINC001164909138 721729285 /nfs/dbraw/zinc/72/92/85/721729285.db2.gz CGWBXVAASNMBNV-QFIPXVFZSA-N 0 3 441.551 4.646 20 0 IJADHN Cc1cccc(COC[C@@]23CCCO[C@@H]2CCN(C(C)(C)c2ccnc(Cl)c2)C3)n1 ZINC001164957959 722027603 /nfs/dbraw/zinc/02/76/03/722027603.db2.gz CKRXQYMLHUEDBO-QPPBQGQZSA-N 0 3 429.992 4.761 20 0 IJADHN Cc1ccc(F)c2cc(C)c(N3CCC4(CC3)COCCN(Cc3ccncc3)C4)nc12 ZINC001164963170 722057880 /nfs/dbraw/zinc/05/78/80/722057880.db2.gz HXCRARJZJKGIST-UHFFFAOYSA-N 0 3 434.559 4.505 20 0 IJADHN Clc1ccc(Cl)c2nc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)ccc12 ZINC001164977866 722153162 /nfs/dbraw/zinc/15/31/62/722153162.db2.gz YYDVDEGACKODQX-LAUBAEHRSA-N 0 3 443.378 4.664 20 0 IJADHN CN(C)Cc1ccnc(N2CCC(O[C@@H](c3ccc(Cl)cc3)c3ccccn3)CC2)c1 ZINC001164625428 719131142 /nfs/dbraw/zinc/13/11/42/719131142.db2.gz XHVZIUANTZRKBU-VWLOTQADSA-N 0 3 436.987 4.967 20 0 IJADHN Cc1ccc(-c2nc3ccccc3c(N3CC[C@H]4[C@@H]3CCN4Cc3cccnc3)n2)s1 ZINC001164726251 720451970 /nfs/dbraw/zinc/45/19/70/720451970.db2.gz BEMXNHPAAGNTHE-VXKWHMMOSA-N 0 3 427.577 4.915 20 0 IJADHN COc1ccc2nc(N3CCC(F)(F)[C@]4(CCN(Cc5ccccn5)C4)C3)c(C)cc2c1 ZINC001164903300 721583956 /nfs/dbraw/zinc/58/39/56/721583956.db2.gz LDWPHUVSZFCEKC-DEOSSOPVSA-N 0 3 438.522 4.685 20 0 IJADHN Clc1cc(-c2ccccc2)cc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164977473 722116648 /nfs/dbraw/zinc/11/66/48/722116648.db2.gz NHZZIXXUKPSJQR-JTHBVZDNSA-N 0 3 434.971 4.524 20 0 IJADHN Fc1cccc(CN2CC[C@]23CCCN(c2nc(Cl)ccc2CN2CCCC2)C3)c1 ZINC001164996001 722202133 /nfs/dbraw/zinc/20/21/33/722202133.db2.gz RHQCLSFORQSSBL-DEOSSOPVSA-N 0 3 428.983 4.715 20 0 IJADHN FC(F)(F)c1ccccc1-c1cc(C(F)(F)N2CC[C@H]3NCCO[C@H]3C2)cnc1Cl ZINC001164389163 718825202 /nfs/dbraw/zinc/82/52/02/718825202.db2.gz GZKUFKXYPPGPEF-SJORKVTESA-N 0 3 447.835 4.533 20 0 IJADHN Fc1ccc2nc(-c3ccccc3F)nc(N3CC[C@H]4[C@@H]3CCN4Cc3cccnc3)c2c1 ZINC001164729095 720359186 /nfs/dbraw/zinc/35/91/86/720359186.db2.gz WPVUWFTZUWCWAF-ZEQRLZLVSA-N 0 3 443.501 4.823 20 0 IJADHN Cc1ccc(-c2csc3ncnc(N4CC[C@@H]5[C@@H]4CCN5Cc4cccnc4)c23)cc1 ZINC001164723147 720370848 /nfs/dbraw/zinc/37/08/48/720370848.db2.gz GHBICODWDZFFPY-YADHBBJMSA-N 0 3 427.577 4.915 20 0 IJADHN Fc1ccc(-c2csc3ncnc(N4CC[C@@H]5[C@@H]4CCN5Cc4cccnc4)c23)cc1 ZINC001164728557 720432579 /nfs/dbraw/zinc/43/25/79/720432579.db2.gz FRWYCIZYDBAULR-RTWAWAEBSA-N 0 3 431.540 4.746 20 0 IJADHN Cc1sc2ncnc(N3CC[C@@H]4[C@H]3CCN4Cc3cccnc3)c2c1-c1ccccc1 ZINC001164734420 720439282 /nfs/dbraw/zinc/43/92/82/720439282.db2.gz RZARAGGDWQJEJF-NHCUHLMSSA-N 0 3 427.577 4.915 20 0 IJADHN FC(F)(c1cnc(Cl)c(-c2ccco2)c1)N1CCCn2cnc(CNC3CCC3)c2C1 ZINC001164844761 720741701 /nfs/dbraw/zinc/74/17/01/720741701.db2.gz TYPRIVPQBPYGHF-UHFFFAOYSA-N 0 3 447.917 4.789 20 0 IJADHN Clc1ccc(CN2CCCC2)c(N2CC(c3ncn4cc(-c5ccoc5)ccc34)C2)n1 ZINC001165015015 721767500 /nfs/dbraw/zinc/76/75/00/721767500.db2.gz LTKDGJHEFIHRKL-UHFFFAOYSA-N 0 3 433.943 4.842 20 0 IJADHN Cc1nc2c(cc(-c3nc(N4CCN(C5CCCC5)CC4)ncc3F)cc2F)n1C(C)C ZINC001165027961 721856431 /nfs/dbraw/zinc/85/64/31/721856431.db2.gz DTXKOCOXKJUCDR-UHFFFAOYSA-N 0 3 440.542 4.725 20 0 IJADHN Fc1ccc2nc(Cl)cc(N3CCC4(CC3)COCCN(Cc3ccncc3)C4)c2c1 ZINC001164963254 722054390 /nfs/dbraw/zinc/05/43/90/722054390.db2.gz JYIOYIOCRYADFE-UHFFFAOYSA-N 0 3 440.950 4.541 20 0 IJADHN Clc1ccc2c(c1)nc(Cl)cc2N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164983203 722109554 /nfs/dbraw/zinc/10/95/54/722109554.db2.gz YLHGSSUHCGBGBP-VGSWGCGISA-N 0 3 443.378 4.664 20 0 IJADHN Fc1cccc(CN2CC[C@@]23CCCN(c2nc(Cl)nc4c(Cl)nccc42)C3)c1 ZINC001164994424 722207280 /nfs/dbraw/zinc/20/72/80/722207280.db2.gz GPIXDXCRIPMENR-OAQYLSRUSA-N 0 3 432.330 4.716 20 0 IJADHN Fc1ccc2nc(-c3ccccc3F)nc(N3CC[C@@H]4[C@H]3CCN4Cc3cccnc3)c2c1 ZINC001164729093 720360038 /nfs/dbraw/zinc/36/00/38/720360038.db2.gz WPVUWFTZUWCWAF-DNQXCXABSA-N 0 3 443.501 4.823 20 0 IJADHN COc1ccc2c(Cl)cc(Cl)nc2c1N1CC[C@H]2[C@@H]1CCN2Cc1cccnc1 ZINC001164723426 720407179 /nfs/dbraw/zinc/40/71/79/720407179.db2.gz GKWHSAVREDLOCK-ROUUACIJSA-N 0 3 429.351 4.798 20 0 IJADHN FC(F)(F)c1nc(Cl)ccc1C(F)(F)N1CCCn2cnc(CNC3CCC3)c2C1 ZINC001164842473 720739683 /nfs/dbraw/zinc/73/96/83/720739683.db2.gz FFGZPVTUGKCXPG-UHFFFAOYSA-N 0 3 449.855 4.548 20 0 IJADHN Fc1cccc(O[C@@H]2C[C@H]3CN(c4nc(C(F)F)nc5ccc(Cl)cc54)CCN3C2)c1 ZINC001164906420 721563871 /nfs/dbraw/zinc/56/38/71/721563871.db2.gz IYQAPAKZISMKMN-DOTOQJQBSA-N 0 3 448.876 4.702 20 0 IJADHN COc1ccc2nc(N3CCC(F)(F)[C@@]4(CCN(Cc5ccccn5)C4)C3)c(C)cc2c1 ZINC001164903301 721584234 /nfs/dbraw/zinc/58/42/34/721584234.db2.gz LDWPHUVSZFCEKC-XMMPIXPASA-N 0 3 438.522 4.685 20 0 IJADHN Fc1cccc2c1nc(Cl)nc2N1CCC(F)(F)[C@@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164907502 721700221 /nfs/dbraw/zinc/70/02/21/721700221.db2.gz UWYKTZIMBUUFAS-OAQYLSRUSA-N 0 3 447.892 4.555 20 0 IJADHN COc1ccc2nc(N3CCC(F)(F)[C@]4(CCN(Cc5ccccn5)C4)C3)cc(C)c2c1 ZINC001164907404 721704068 /nfs/dbraw/zinc/70/40/68/721704068.db2.gz ROXMRUCKWYUILY-DEOSSOPVSA-N 0 3 438.522 4.685 20 0 IJADHN Cc1cccc(COC[C@]23CCCO[C@@H]2CCN(C(C)(C)c2ccnc(Cl)c2)C3)n1 ZINC001164957962 722027655 /nfs/dbraw/zinc/02/76/55/722027655.db2.gz CKRXQYMLHUEDBO-ZJSXRUAMSA-N 0 3 429.992 4.761 20 0 IJADHN COCCNCc1cc(Br)c(OCc2ccccc2)c(Br)c1 ZINC000010475326 557221217 /nfs/dbraw/zinc/22/12/17/557221217.db2.gz BGDFRPOLIFYTRJ-UHFFFAOYSA-N 0 3 429.152 4.527 20 0 IJADHN FC(F)(c1ccc2c(ccnc2Cl)c1)N1CCCn2cnc(CNC3CCC3)c2C1 ZINC001164845211 720740003 /nfs/dbraw/zinc/74/00/03/720740003.db2.gz XFXDPEFORLWPLS-UHFFFAOYSA-N 0 3 431.918 4.682 20 0 IJADHN Cc1nc2cc(Cl)ccc2c(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)n1 ZINC001164904850 721705014 /nfs/dbraw/zinc/70/50/14/721705014.db2.gz DMFNQFZXIPGJDA-QFIPXVFZSA-N 0 3 443.929 4.724 20 0 IJADHN COc1cc2ccnc(N3CCC(F)(F)[C@@]4(CCN(Cc5ccccn5)C4)C3)c2cc1F ZINC001164911849 721735588 /nfs/dbraw/zinc/73/55/88/721735588.db2.gz LHEKDNVKCFNRNU-HSZRJFAPSA-N 0 3 442.485 4.515 20 0 IJADHN COc1cc2ccnc(N3CCC(F)(F)[C@]4(CCN(Cc5ccccn5)C4)C3)c2cc1F ZINC001164911850 721735683 /nfs/dbraw/zinc/73/56/83/721735683.db2.gz LHEKDNVKCFNRNU-QHCPKHFHSA-N 0 3 442.485 4.515 20 0 IJADHN COc1cc2c(cc1Cl)ncnc2N1CCC[C@@]2(CCN2Cc2cccc(F)c2)C1 ZINC001164994027 722200034 /nfs/dbraw/zinc/20/00/34/722200034.db2.gz DCVLBNRGGSMPSC-HSZRJFAPSA-N 0 3 426.923 4.676 20 0 IJADHN Cc1cc(N2CCC[C@]3(CCN3Cc3cccc(F)c3)C2)nc(-c2ccc(Cl)nc2)n1 ZINC001164999117 722212037 /nfs/dbraw/zinc/21/20/37/722212037.db2.gz ZNWBZLGVGWKORU-DEOSSOPVSA-N 0 3 437.950 4.884 20 0 IJADHN Clc1ccc(-c2nc3c(c(N4CC[C@@H]5[C@@H]4CCN5Cc4cccnc4)n2)CCC3)s1 ZINC001164733866 720462825 /nfs/dbraw/zinc/46/28/25/720462825.db2.gz QIVKFLGJQBQCIK-MOPGFXCFSA-N 0 3 438.000 4.595 20 0 IJADHN Cc1nc2c3ccccc3oc2c(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)n1 ZINC001164908938 721713769 /nfs/dbraw/zinc/71/37/69/721713769.db2.gz ZRQNPUFBXRTKTH-XMMPIXPASA-N 0 3 449.505 4.817 20 0 IJADHN Fc1cc2ccnc(N3CCC4(CC3)COCCN(Cc3ccncc3)C4)c2cc1Cl ZINC001164959996 722061379 /nfs/dbraw/zinc/06/13/79/722061379.db2.gz CBNCJTJCLAEIRP-UHFFFAOYSA-N 0 3 440.950 4.541 20 0 IJADHN CC[C@@H](CO)NCc1cc(Br)c(OCc2ccccc2)c(Br)c1 ZINC000010474358 557221099 /nfs/dbraw/zinc/22/10/99/557221099.db2.gz ACKGZUFAHGPSJY-HNNXBMFYSA-N 0 3 443.179 4.651 20 0 IJADHN Cc1ccc(-c2csc3ncnc(N4CC[C@H]5[C@H]4CCN5Cc4cccnc4)c23)cc1 ZINC001164723140 720370870 /nfs/dbraw/zinc/37/08/70/720370870.db2.gz GHBICODWDZFFPY-FCHUYYIVSA-N 0 3 427.577 4.915 20 0 IJADHN Cc1ccc(-c2nc3ccccc3c(N3CC[C@@H]4[C@@H]3CCN4Cc3cccnc3)n2)s1 ZINC001164726254 720452414 /nfs/dbraw/zinc/45/24/14/720452414.db2.gz BEMXNHPAAGNTHE-YADHBBJMSA-N 0 3 427.577 4.915 20 0 IJADHN Cc1c(Cl)cnc(Cl)c1N1CCC(F)(F)[C@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164906591 721721044 /nfs/dbraw/zinc/72/10/44/721721044.db2.gz NCICCJLMNGRBHA-IBGZPJMESA-N 0 3 427.326 4.830 20 0 IJADHN CC[C@@H](C)c1nc2[nH]ccc2c(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)n1 ZINC001164911256 721738039 /nfs/dbraw/zinc/73/80/39/721738039.db2.gz JRICJVZNGKTRKF-HXOBKFHXSA-N 0 3 440.542 4.604 20 0 IJADHN Clc1ccc2ccc(Cl)c(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)c2n1 ZINC001164977178 722153355 /nfs/dbraw/zinc/15/33/55/722153355.db2.gz YERLYOIVPHRXEF-QUCCMNQESA-N 0 3 443.378 4.664 20 0 IJADHN CCCOc1c(Br)cc(Br)cc1CNC[C@H]1CCCN1CC ZINC000020967925 520290989 /nfs/dbraw/zinc/29/09/89/520290989.db2.gz NJRRUFSWTWCBIE-OAHLLOKOSA-N 0 3 434.216 4.574 20 0 IJADHN Clc1ccc(-c2nc3c(c(N4CC[C@H]5[C@H]4CCN5Cc4cccnc4)n2)CCC3)s1 ZINC001164733870 720461451 /nfs/dbraw/zinc/46/14/51/720461451.db2.gz QIVKFLGJQBQCIK-RBUKOAKNSA-N 0 3 438.000 4.595 20 0 IJADHN Cc1cc2c(nc(Cl)nc2N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)s1 ZINC001164907426 721696618 /nfs/dbraw/zinc/69/66/18/721696618.db2.gz SLHKPWVIMBMUND-HXUWFJFHSA-N 0 3 449.958 4.786 20 0 IJADHN Fc1cc2ncnc(Cl)c2c(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)c1 ZINC001164907278 721719365 /nfs/dbraw/zinc/71/93/65/721719365.db2.gz QJZVJDDXAOUIND-NRFANRHFSA-N 0 3 447.892 4.555 20 0 IJADHN Clc1ccc2c(c1)nc(Cl)cc2N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164983197 722109657 /nfs/dbraw/zinc/10/96/57/722109657.db2.gz YLHGSSUHCGBGBP-HTAPYJJXSA-N 0 3 443.378 4.664 20 0 IJADHN Clc1ccc2ccc(Cl)c(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)c2n1 ZINC001164977171 722153233 /nfs/dbraw/zinc/15/32/33/722153233.db2.gz YERLYOIVPHRXEF-AZUAARDMSA-N 0 3 443.378 4.664 20 0 IJADHN CC[C@H](CO)NCc1cc(Br)c(OCc2ccccc2)c(Br)c1 ZINC000010474363 557221145 /nfs/dbraw/zinc/22/11/45/557221145.db2.gz ACKGZUFAHGPSJY-OAHLLOKOSA-N 0 3 443.179 4.651 20 0 IJADHN FC(F)(F)c1ccccc1-c1cc(C(F)(F)N2CC[C@H]3NCCO[C@@H]3C2)cnc1Cl ZINC001164389161 718825450 /nfs/dbraw/zinc/82/54/50/718825450.db2.gz GZKUFKXYPPGPEF-IAGOWNOFSA-N 0 3 447.835 4.533 20 0 IJADHN Cc1sc2ncnc(N3CC[C@H]4[C@@H]3CCN4Cc3cccnc3)c2c1-c1ccccc1 ZINC001164734425 720440718 /nfs/dbraw/zinc/44/07/18/720440718.db2.gz RZARAGGDWQJEJF-SFTDATJTSA-N 0 3 427.577 4.915 20 0 IJADHN Clc1ccc(-c2nc3c(c(N4CC[C@H]5[C@@H]4CCN5Cc4cccnc4)n2)CCC3)s1 ZINC001164733869 720461408 /nfs/dbraw/zinc/46/14/08/720461408.db2.gz QIVKFLGJQBQCIK-OALUTQOASA-N 0 3 438.000 4.595 20 0 IJADHN Fc1ccc(-c2nc(Cl)cc(N3CC[C@@H]4[C@H]3CCN4Cc3cccnc3)n2)cc1Cl ZINC001164724431 720472293 /nfs/dbraw/zinc/47/22/93/720472293.db2.gz GGPXPTPQUCUZHE-RTBURBONSA-N 0 3 444.341 4.838 20 0 IJADHN Cc1cccc2c1nc(Cl)nc2N1CCC(F)(F)[C@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164906242 721697589 /nfs/dbraw/zinc/69/75/89/721697589.db2.gz MORIUTZYDSLFPU-QFIPXVFZSA-N 0 3 443.929 4.724 20 0 IJADHN Fc1ccc2c(Cl)nnc(N3CCC(F)(F)[C@@]4(CCN(Cc5ccccn5)C4)C3)c2c1 ZINC001164910632 721731938 /nfs/dbraw/zinc/73/19/38/721731938.db2.gz HCKCJPBLHPNEOV-OAQYLSRUSA-N 0 3 447.892 4.555 20 0 IJADHN Fc1cccc(CN2CC[C@]23CCCN(c2ncnc4c2ccn4Cc2ccccc2)C3)c1 ZINC001164995636 722201851 /nfs/dbraw/zinc/20/18/51/722201851.db2.gz OSQFJHSRIDOCME-MHZLTWQESA-N 0 3 441.554 4.864 20 0 IJADHN Fc1ccc(-c2csc3ncnc(N4CC[C@H]5[C@H]4CCN5Cc4cccnc4)c23)cc1 ZINC001164728551 720431419 /nfs/dbraw/zinc/43/14/19/720431419.db2.gz FRWYCIZYDBAULR-LEWJYISDSA-N 0 3 431.540 4.746 20 0 IJADHN Cc1sc2nc(-c3cccnc3)nc(N3CC[C@@H]4[C@H]3CCN4Cc3cccnc3)c2c1C ZINC001164735062 720437351 /nfs/dbraw/zinc/43/73/51/720437351.db2.gz VMDNBALHRVPUIK-NHCUHLMSSA-N 0 3 442.592 4.618 20 0 IJADHN Fc1ccc(-c2nc3ccccc3c(N3CC[C@H]4[C@H]3CCN4Cc3cccnc3)n2)cc1 ZINC001164734444 720438595 /nfs/dbraw/zinc/43/85/95/720438595.db2.gz SEADDNYLYZEDAG-BJKOFHAPSA-N 0 3 425.511 4.684 20 0 IJADHN Fc1ccc(-c2nnc(N3CC[C@@H]4[C@@H]3CCN4Cc3cccnc3)c3ccccc32)cc1 ZINC001164731533 720439718 /nfs/dbraw/zinc/43/97/18/720439718.db2.gz LNOFWKIXMXLGSF-RPWUZVMVSA-N 0 3 425.511 4.684 20 0 IJADHN CSc1nc2ccsc2c(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)n1 ZINC001164904839 721700755 /nfs/dbraw/zinc/70/07/55/721700755.db2.gz GVYCATQPQOHSBI-HXUWFJFHSA-N 0 3 447.580 4.546 20 0 IJADHN Fc1cccc(CN2CC[C@@]23CCCN(c2nc(Cl)ccc2CN2CCCC2)C3)c1 ZINC001164996002 722202013 /nfs/dbraw/zinc/20/20/13/722202013.db2.gz RHQCLSFORQSSBL-XMMPIXPASA-N 0 3 428.983 4.715 20 0 IJADHN COC(=O)C[C@H](c1ccnc(N2CCC[C@]3(CCN3Cc3cccc(F)c3)C2)c1)C1CC1 ZINC001164994837 722207041 /nfs/dbraw/zinc/20/70/41/722207041.db2.gz IOGQUKJNIMZPHO-OZXSUGGESA-N 0 3 437.559 4.522 20 0 IJADHN FC(F)(F)c1ccccc1-c1cc(C(F)(F)N2CC[C@@H]3NCCO[C@@H]3C2)cnc1Cl ZINC001164389160 718825295 /nfs/dbraw/zinc/82/52/95/718825295.db2.gz GZKUFKXYPPGPEF-DLBZAZTESA-N 0 3 447.835 4.533 20 0 IJADHN Clc1cccc(-c2nc3c(c(N4CC[C@@H]5[C@H]4CCN5Cc4cccnc4)n2)CCCC3)c1 ZINC001164725831 720462234 /nfs/dbraw/zinc/46/22/34/720462234.db2.gz BDMNUZQCPHLWBI-DNQXCXABSA-N 0 3 445.998 4.924 20 0 IJADHN Cc1c(Cl)cnc(Cl)c1N1CCC(F)(F)[C@@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164906597 721720510 /nfs/dbraw/zinc/72/05/10/721720510.db2.gz NCICCJLMNGRBHA-LJQANCHMSA-N 0 3 427.326 4.830 20 0 IJADHN FC(F)c1nc2ccccc2c(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)n1 ZINC001164912814 721728537 /nfs/dbraw/zinc/72/85/37/721728537.db2.gz QLLRMGXIAVXEMY-JOCHJYFZSA-N 0 3 445.464 4.700 20 0 IJADHN Fc1ccc2c(Cl)ncnc2c1N1CCC(F)(F)[C@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164913837 721737713 /nfs/dbraw/zinc/73/77/13/721737713.db2.gz YUWKQUCMOOSQTI-NRFANRHFSA-N 0 3 447.892 4.555 20 0 IJADHN Cc1c(Cl)ccc2ccc(N3CCC4(CC3)COCCN(Cc3ccncc3)C4)nc21 ZINC001164961532 722058817 /nfs/dbraw/zinc/05/88/17/722058817.db2.gz LJWVCXFSHWDIGS-UHFFFAOYSA-N 0 3 436.987 4.711 20 0 IJADHN Clc1ccc2c(c1)nc(Cl)cc2N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164983201 722109837 /nfs/dbraw/zinc/10/98/37/722109837.db2.gz YLHGSSUHCGBGBP-VGOFRKELSA-N 0 3 443.378 4.664 20 0 IJADHN Clc1cc(-c2ccccc2)cc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164977468 722116373 /nfs/dbraw/zinc/11/63/73/722116373.db2.gz NHZZIXXUKPSJQR-GMAHTHKFSA-N 0 3 434.971 4.524 20 0 IJADHN Clc1ccc2ccc(Cl)c(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)c2n1 ZINC001164977182 722153286 /nfs/dbraw/zinc/15/32/86/722153286.db2.gz YERLYOIVPHRXEF-UYAOXDASSA-N 0 3 443.378 4.664 20 0 IJADHN OCCCCNCc1cc(Br)c(OCc2ccccc2)c(Br)c1 ZINC000040744184 527537776 /nfs/dbraw/zinc/53/77/76/527537776.db2.gz XKYIHJNKDDHVIL-UHFFFAOYSA-N 0 3 443.179 4.653 20 0 IJADHN