smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C1NCCN(C(F)(F)c2ccccc2-c2nc(Cl)c3ccccc3n2)C12CNC2 ZINC001164414853 718879514 /nfs/dbraw/zinc/87/95/14/718879514.db2.gz YICSGJOMJCWFDS-UHFFFAOYSA-N 0 3 429.858 2.773 20 0 IFADHN CCOC(=O)C1CCN(C2CCN(C(F)(F)COc3ccc(Cl)nn3)CC2)CC1 ZINC001164618611 719031863 /nfs/dbraw/zinc/03/18/63/719031863.db2.gz VSWRSAMHJLNNCZ-UHFFFAOYSA-N 0 3 432.899 2.841 20 0 IFADHN CC(C)CN1CCN(c2nccc(NC(=O)C(C)(C)C)c2CN2CC[C@H](CO)C2)CC1 ZINC001164657593 719335449 /nfs/dbraw/zinc/33/54/49/719335449.db2.gz TWFRMDCAWGPYPU-IBGZPJMESA-N 0 3 431.625 2.658 20 0 IFADHN COC(=O)c1cc(Cl)ncc1C(F)(F)n1nc(CN(C)C(C)C)c2c1CNCC2 ZINC001164682566 719616643 /nfs/dbraw/zinc/61/66/43/719616643.db2.gz DVLVYMPOVYNBSR-UHFFFAOYSA-N 0 3 427.883 2.802 20 0 IFADHN COC(=O)c1cnc(Cl)c(C(F)(F)n2nc(CN(C)C(C)C)c3c2CNCC3)c1 ZINC001164680574 719636236 /nfs/dbraw/zinc/63/62/36/719636236.db2.gz WNMYKGLSNHPHHP-UHFFFAOYSA-N 0 3 427.883 2.802 20 0 IFADHN CCOC(=O)c1ccc2nc(Cl)nc(N3CCC4(CCCN4CC(=O)NC)CC3)c2c1 ZINC001164689617 719737079 /nfs/dbraw/zinc/73/70/79/719737079.db2.gz JHSUUNVHPCCUJW-UHFFFAOYSA-N 0 3 445.951 2.641 20 0 IFADHN CNC(=O)CN1CCCC12CCN(c1ncc(C(=O)N3CCCCC3)cc1Cl)CC2 ZINC001164690054 719743110 /nfs/dbraw/zinc/74/31/10/719743110.db2.gz RMYGONMWQJHUCA-UHFFFAOYSA-N 0 3 433.984 2.542 20 0 IFADHN CCN1CCCC[C@@H]1c1ccc(N2CC[C@@H](N3CCOCC3)C[C@]2(C)C(=O)OC)nc1 ZINC001164703705 719876915 /nfs/dbraw/zinc/87/69/15/719876915.db2.gz KFIIETLZZGTNIA-PQNGQFLHSA-N 0 3 430.593 2.861 20 0 IFADHN CN(C)c1cc(C(F)(F)N2CCCn3cnc(CNC4CCC4)c3C2)nc(Cl)n1 ZINC001164843437 720740646 /nfs/dbraw/zinc/74/06/46/720740646.db2.gz JTGXVLBPZPJCRJ-UHFFFAOYSA-N 0 3 425.915 2.990 20 0 IFADHN c1csc(-c2noc(-c3ccnc(N4CCN5C[C@H](Oc6cncnc6)C[C@@H]5C4)c3)n2)c1 ZINC001164747452 720785135 /nfs/dbraw/zinc/78/51/35/720785135.db2.gz OBXGUZHWHMLOMS-IAGOWNOFSA-N 0 3 447.524 2.992 20 0 IFADHN c1csc(-c2noc(-c3ccnc(N4CCN5C[C@@H](Oc6cncnc6)C[C@@H]5C4)c3)n2)c1 ZINC001164747458 720785171 /nfs/dbraw/zinc/78/51/71/720785171.db2.gz OBXGUZHWHMLOMS-SJORKVTESA-N 0 3 447.524 2.992 20 0 IFADHN c1csc(-c2noc(-c3ccnc(N4CCN5C[C@@H](Oc6cncnc6)C[C@H]5C4)c3)n2)c1 ZINC001164747455 720785683 /nfs/dbraw/zinc/78/56/83/720785683.db2.gz OBXGUZHWHMLOMS-IRXDYDNUSA-N 0 3 447.524 2.992 20 0 IFADHN c1cc2c(nc(-c3ccncc3)nc2N2CCN3C[C@@H](Oc4cncnc4)C[C@@H]3C2)s1 ZINC001164746709 720796795 /nfs/dbraw/zinc/79/67/95/720796795.db2.gz MSUVPDMUEZCVRY-SJORKVTESA-N 0 3 431.525 2.885 20 0 IFADHN CN(Cc1ccccn1)C(=O)[C@@H]1C[C@@H]2OCC[C@H]2N(c2ccc(CN(C)C3CC3)cn2)C1 ZINC001164759054 721016192 /nfs/dbraw/zinc/01/61/92/721016192.db2.gz KEKZCLQETHGQDL-PTUXOGIPSA-N 0 3 435.572 2.713 20 0 IFADHN CN(Cc1ccccn1)C(=O)[C@@H]1C[C@H]2OCC[C@H]2N(c2ccc(CN3CCCC3)cn2)C1 ZINC001164757958 721016220 /nfs/dbraw/zinc/01/62/20/721016220.db2.gz GTMLVXDLCWYKRX-YMPZKCBVSA-N 0 3 435.572 2.715 20 0 IFADHN CCOC(=O)c1nc2ccccc2c(N2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164870482 721053549 /nfs/dbraw/zinc/05/35/49/721053549.db2.gz VZNVJXUMRJSKIX-RTBURBONSA-N 0 3 433.512 2.681 20 0 IFADHN Cn1cc(CN2CC[C@H]3CN(c4ncnc5c4CCN(Cc4ccccc4)C5)C[C@@H]3C2)cn1 ZINC001164771363 721115534 /nfs/dbraw/zinc/11/55/34/721115534.db2.gz SHGPYVQSXCPNOF-GOTSBHOMSA-N 0 3 443.599 2.727 20 0 IFADHN Cc1cc(NC(=O)c2cccnc2N2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)no1 ZINC001164875520 721138358 /nfs/dbraw/zinc/13/83/58/721138358.db2.gz LRXBHPRUYABFAC-RTBURBONSA-N 0 3 434.500 2.505 20 0 IFADHN CCN(CC)C(=O)c1cc(Cl)nc(N2C[C@H]3CN(Cc4cnn(C)c4)CC[C@@H]3C2)c1 ZINC001164764779 721148868 /nfs/dbraw/zinc/14/88/68/721148868.db2.gz HXBWSMMNOVJZJU-IEBWSBKVSA-N 0 3 430.984 2.909 20 0 IFADHN CCN(CC)C(=O)c1cc(Cl)nc(N2C[C@@H]3CCN(Cc4cnn(C)c4)C[C@H]3C2)c1 ZINC001164764777 721149409 /nfs/dbraw/zinc/14/94/09/721149409.db2.gz HXBWSMMNOVJZJU-HKUYNNGSSA-N 0 3 430.984 2.909 20 0 IFADHN c1cncc(CO[C@@H]2C[C@@H]3CN(c4nc(-c5cccnc5)nc5c4CCC5)CCN3C2)c1 ZINC001164876551 721166981 /nfs/dbraw/zinc/16/69/81/721166981.db2.gz NDQKRFUAQOJZAL-NHCUHLMSSA-N 0 3 428.540 2.902 20 0 IFADHN CCOC(=O)c1cc2ncnc(N3C[C@H]4CCN(Cc5cnn(C)c5)C[C@H]4C3)c2s1 ZINC001164769417 721168080 /nfs/dbraw/zinc/16/80/80/721168080.db2.gz MHUHMUPZKUFGBV-CVEARBPZSA-N 0 3 426.546 2.560 20 0 IFADHN CC(C)CNC(=O)c1ccc2c(c1)ncnc2N1C[C@H]2CCN(Cc3cnn(C)c3)C[C@H]2C1 ZINC001164771135 721171397 /nfs/dbraw/zinc/17/13/97/721171397.db2.gz PJULVCJVZRGEKL-RTWAWAEBSA-N 0 3 447.587 2.707 20 0 IFADHN Clc1nc2c(Cl)ncnc2c(N2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164880990 721171909 /nfs/dbraw/zinc/17/19/09/721171909.db2.gz YQKZIQLQHXJFQW-ZIAGYGMSSA-N 0 3 432.315 2.601 20 0 IFADHN COC(=O)c1nc(N2C[C@@H]3CCN(Cc4cnn(C)c4)C[C@@H]3C2)c2ccccc2c1OC ZINC001164773369 721223389 /nfs/dbraw/zinc/22/33/89/721223389.db2.gz WSMWXUIEUFYABT-ZWKOTPCHSA-N 0 3 435.528 2.722 20 0 IFADHN COC[C@H]1CC2(CN1C(=O)c1cccn1C)CCN(c1cc(CN(C)C)ccn1)CC2 ZINC001164875972 721225114 /nfs/dbraw/zinc/22/51/14/721225114.db2.gz YSAKICRUAIVYDV-HXUWFJFHSA-N 0 3 425.577 2.629 20 0 IFADHN COC[C@@H]1CC2(CN1C(=O)c1cccn1C)CCN(c1cc(CN(C)C)ccn1)CC2 ZINC001164875968 721225366 /nfs/dbraw/zinc/22/53/66/721225366.db2.gz YSAKICRUAIVYDV-FQEVSTJZSA-N 0 3 425.577 2.629 20 0 IFADHN Cc1cc(N2C[C@@H]3CCN(Cc4cnn(C)c4)C[C@H]3C2)nc(NC(=O)c2ccccc2)n1 ZINC001164760705 721229445 /nfs/dbraw/zinc/22/94/45/721229445.db2.gz GENLFGBQXZRTMP-SFTDATJTSA-N 0 3 431.544 2.729 20 0 IFADHN COc1ccc(CN(C)c2ccnc(N3C[C@@H]4CCN(Cc5cnn(C)c5)C[C@H]4C3)n2)cc1 ZINC001164767953 721230535 /nfs/dbraw/zinc/23/05/35/721230535.db2.gz XGTFQMQPEYNYGD-VXKWHMMOSA-N 0 3 447.587 2.813 20 0 IFADHN COC(=O)c1ccc2ccnc(N3CC[C@]4(C3)CCC[C@H](CN3CCN(C)CC3)O4)c2c1 ZINC001164888888 721404176 /nfs/dbraw/zinc/40/41/76/721404176.db2.gz PDLUIQHCFKQXNO-BWKNWUBXSA-N 0 3 438.572 2.787 20 0 IFADHN CN1CCN(C[C@H]2CCC[C@]3(CCN(C(F)(F)c4cc(Cl)nc(=S)[nH]4)C3)O2)CC1 ZINC001164894315 721427783 /nfs/dbraw/zinc/42/77/83/721427783.db2.gz LLSUVIQCQMZAPI-RDTXWAMCSA-N 0 3 447.983 2.729 20 0 IFADHN CCOC(=O)c1cnc2cc(N3CC[C@@]4(C3)CCC[C@@H](CN3CCN(C)CC3)O4)[nH]cc1-2 ZINC001164891593 721430983 /nfs/dbraw/zinc/43/09/83/721430983.db2.gz HETZHXNQPSAMKZ-MHECFPHRSA-N 0 3 441.576 2.505 20 0 IFADHN CN(Cc1ccc(N2C[C@@H]3COC[C@H](CC(=O)N4CCC(F)CC4)[C@H]3C2)nc1)C1CC1 ZINC001164894534 721479285 /nfs/dbraw/zinc/47/92/85/721479285.db2.gz NNDFOLAMTDXNPI-NNMXDRDESA-N 0 3 430.568 2.725 20 0 IFADHN O=C(C[C@@H]1COC[C@@H]2CN(c3ncccc3CN3CCCC3)C[C@@H]21)N1CCC(F)CC1 ZINC001164895685 721479668 /nfs/dbraw/zinc/47/96/68/721479668.db2.gz MQFGDBYZQGDGJQ-RZUBCFFCSA-N 0 3 430.568 2.727 20 0 IFADHN CCOC(=O)c1nc2ccn(C)c2c(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164912021 721548432 /nfs/dbraw/zinc/54/84/32/721548432.db2.gz YDGYEFDDQBZXAV-SJLPKXTDSA-N 0 3 439.491 2.626 20 0 IFADHN COC(=O)c1c[nH]c2nc(Cl)nc(N3CCN4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)c12 ZINC001164907551 721551197 /nfs/dbraw/zinc/55/11/97/721551197.db2.gz OHKBTWSTVKTGJD-ZFWWWQNUSA-N 0 3 445.882 2.879 20 0 IFADHN COC(=O)[C@H](C)c1c(Cl)ncnc1N1CCN2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164904262 721566849 /nfs/dbraw/zinc/56/68/49/721566849.db2.gz DQRMCBOJWVFWJZ-UNEWFSDZSA-N 0 3 434.899 2.888 20 0 IFADHN CCOC(=O)[C@@H]1CCc2nnc(N3CCN4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)cc2C1 ZINC001164905884 721567755 /nfs/dbraw/zinc/56/77/55/721567755.db2.gz HQTLTCHXMUKKRX-OZOXKJRCSA-N 0 3 440.519 2.626 20 0 IFADHN CN(Cc1ccc(N2CC[C@@H]3OCC[C@@H](C(=O)NCCc4ccncc4)[C@@H]3C2)nc1)C1CC1 ZINC001165014294 721753728 /nfs/dbraw/zinc/75/37/28/721753728.db2.gz XUDNWOYNUPZTRQ-SGNDLWITSA-N 0 3 449.599 2.661 20 0 IFADHN O=c1ccccn1Cc1ccc(N2CCC3(CC2)COCCN(Cc2ccncc2)C3)nc1 ZINC001164961682 722060457 /nfs/dbraw/zinc/06/04/57/722060457.db2.gz NZMQBTSOSKEUDF-UHFFFAOYSA-N 0 3 445.567 2.806 20 0 IFADHN COC(=O)c1ccc2ncnc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)c2c1 ZINC001164983432 722104656 /nfs/dbraw/zinc/10/46/56/722104656.db2.gz QDPCPOQLZFEKCN-DENIHFKCSA-N 0 3 433.512 2.539 20 0 IFADHN CC(C)(C)OC(=O)Nc1cc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)ncn1 ZINC001164985284 722105654 /nfs/dbraw/zinc/10/56/54/722105654.db2.gz WEUUNYNYBUKNLN-RBUKOAKNSA-N 0 3 440.548 2.946 20 0 IFADHN COc1cc2ncnc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)c2c(OC)c1 ZINC001164981900 722123281 /nfs/dbraw/zinc/12/32/81/722123281.db2.gz VKEULJJYHKBDDS-AVRDEDQJSA-N 0 3 435.528 2.769 20 0 IFADHN CCOC(=O)c1cc2ccc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)[nH]c-2n1 ZINC001164983370 722130824 /nfs/dbraw/zinc/13/08/24/722130824.db2.gz UQZAFJLUSCOLBN-TZIWHRDSSA-N 0 3 435.528 2.862 20 0 IFADHN FC(F)(COc1cncc(Cl)n1)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164976065 722143986 /nfs/dbraw/zinc/14/39/86/722143986.db2.gz GXZFTFZNUFBKAO-IRXDYDNUSA-N 0 3 439.894 2.720 20 0 IFADHN CCOC(=O)C1CCN(C2CCN(C(F)(F)c3nc4[nH]cnc4c(Cl)n3)CC2)CC1 ZINC001164618681 719031993 /nfs/dbraw/zinc/03/19/93/719031993.db2.gz YGEBIVCWYPNIQH-UHFFFAOYSA-N 0 3 442.898 2.747 20 0 IFADHN CCOC(=O)C1CCN(C2CCN(C(F)(F)COc3cncc(Cl)n3)CC2)CC1 ZINC001164618605 719032819 /nfs/dbraw/zinc/03/28/19/719032819.db2.gz VMOQWXFBUAHKKA-UHFFFAOYSA-N 0 3 432.899 2.841 20 0 IFADHN CCOC(=O)C1CCN(C2CCN(c3c(Cl)nc(C(=O)OC)nc3Cl)CC2)CC1 ZINC001164617996 719035203 /nfs/dbraw/zinc/03/52/03/719035203.db2.gz QNJIYDQLCOCVOD-UHFFFAOYSA-N 0 3 445.347 2.814 20 0 IFADHN O=C(NCc1ccc(F)cc1)C1=NO[C@@]2(CCN(c3ncccc3CN3CCCC3)C2)C1 ZINC001164653536 719322427 /nfs/dbraw/zinc/32/24/27/719322427.db2.gz NQQFZKUQMLCTIO-DEOSSOPVSA-N 0 3 437.519 2.858 20 0 IFADHN CCc1cc(N2CCC3(CC2)CN(Cc2cccs2)CCO3)nc(N2CCOCC2)n1 ZINC001164699295 719895635 /nfs/dbraw/zinc/89/56/35/719895635.db2.gz ZHXBQQSRNLURFX-UHFFFAOYSA-N 0 3 443.617 2.809 20 0 IFADHN COC(=O)c1ccc(-c2ccc(N3CCN4C[C@H](Oc5cncnc5)C[C@H]4C3)nc2C)cc1 ZINC001164738124 720749113 /nfs/dbraw/zinc/74/91/13/720749113.db2.gz DTXVIDFZXQYXKI-LEWJYISDSA-N 0 3 445.523 2.976 20 0 IFADHN c1ccc(-c2nc3ccccc3c(N3CCN4C[C@H](Oc5cncnc5)C[C@H]4C3)n2)nc1 ZINC001164737157 720760166 /nfs/dbraw/zinc/76/01/66/720760166.db2.gz AEWBCZKMNZMIOG-ZWKOTPCHSA-N 0 3 425.496 2.824 20 0 IFADHN C[C@@H]1CCCN1C(=O)c1nn(-c2nc(Cl)ccc2CN2CCCC2)c2c1CNCC2 ZINC001164850241 720805479 /nfs/dbraw/zinc/80/54/79/720805479.db2.gz VBIDKAIUTDLLTA-OAHLLOKOSA-N 0 3 428.968 2.787 20 0 IFADHN O=C(NCc1ccccn1)[C@@H]1CCO[C@@H]2CCN(c3ncccc3CN3CCCC3)C[C@H]21 ZINC001164758005 721023660 /nfs/dbraw/zinc/02/36/60/721023660.db2.gz HLULYRRMUWVDCD-XPWALMASSA-N 0 3 435.572 2.620 20 0 IFADHN O=C(NCc1ccccc1)c1cccnc1N1CCN2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164868154 721054536 /nfs/dbraw/zinc/05/45/36/721054536.db2.gz NDUCHYMPJHXNIP-XZOQPEGZSA-N 0 3 443.551 2.886 20 0 IFADHN CC(C)(C)OC(=O)Nc1cc(N2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)ncn1 ZINC001164871508 721060852 /nfs/dbraw/zinc/06/08/52/721060852.db2.gz ZJEXUFXDUFEWNJ-ZWKOTPCHSA-N 0 3 426.521 2.698 20 0 IFADHN CCOC(=O)c1cnc(N2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)cc1OCC ZINC001164866669 721084990 /nfs/dbraw/zinc/08/49/90/721084990.db2.gz UQEWUENZAJKDGD-RTBURBONSA-N 0 3 426.517 2.532 20 0 IFADHN Cn1cc(CN2CC[C@@H]3CN(c4ncnc5c4CN(Cc4ccccc4)CC5)C[C@@H]3C2)cn1 ZINC001164761512 721087107 /nfs/dbraw/zinc/08/71/07/721087107.db2.gz BLOMKRMPYYNZOE-PKTZIBPZSA-N 0 3 443.599 2.727 20 0 IFADHN Cn1cc(CN2CC[C@H]3CN(c4ncnc5c4CN(Cc4ccccc4)CC5)C[C@H]3C2)cn1 ZINC001164761514 721087947 /nfs/dbraw/zinc/08/79/47/721087947.db2.gz BLOMKRMPYYNZOE-XZOQPEGZSA-N 0 3 443.599 2.727 20 0 IFADHN CC(C)n1cnc2c1nc(Cl)nc2N1CCN2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164865805 721118249 /nfs/dbraw/zinc/11/82/49/721118249.db2.gz PQDXWWCRHGLDQV-SJORKVTESA-N 0 3 427.940 2.935 20 0 IFADHN CC1CCN(C(=O)c2ccc(N3CCN4C[C@@H](OCc5cccnc5)C[C@H]4C3)nc2)CC1 ZINC001164871026 721142299 /nfs/dbraw/zinc/14/22/99/721142299.db2.gz CZIGRZBODUWEQL-GOTSBHOMSA-N 0 3 435.572 2.828 20 0 IFADHN COc1ccc(OC)c(-c2ccc(N3C[C@H]4CN(Cc5cnn(C)c5)CC[C@@H]4C3)nn2)c1 ZINC001164765762 721217940 /nfs/dbraw/zinc/21/79/40/721217940.db2.gz IFOJMDFGJJXDBA-RTBURBONSA-N 0 3 434.544 2.853 20 0 IFADHN COc1ccc(CN(C)c2ccnc(N3C[C@@H]4CCN(Cc5cnn(C)c5)C[C@@H]4C3)n2)cc1 ZINC001164767951 721231583 /nfs/dbraw/zinc/23/15/83/721231583.db2.gz XGTFQMQPEYNYGD-FCHUYYIVSA-N 0 3 447.587 2.813 20 0 IFADHN COC(=O)c1cc2c(nc1-c1cnn(C)c1)CCN(c1ccc(CN(C)C3CC3)cn1)CC2 ZINC001164776892 721324489 /nfs/dbraw/zinc/32/44/89/721324489.db2.gz FZWPWUZSNZIJAI-UHFFFAOYSA-N 0 3 446.555 2.863 20 0 IFADHN Cc1noc(C)c1CN1CCOC[C@@]2(CCCN(c3cccc(N4CCOCC4)n3)C2)C1 ZINC001164780317 721360640 /nfs/dbraw/zinc/36/06/40/721360640.db2.gz GBAYHXCDZXTMIU-DEOSSOPVSA-N 0 3 441.576 2.642 20 0 IFADHN CCOC(=O)c1cc2ccnc(N3CC[C@]4(C3)CCC[C@H](CN3CCN(C)CC3)O4)c2[nH]1 ZINC001164889453 721403917 /nfs/dbraw/zinc/40/39/17/721403917.db2.gz QQEGXFVMWKGJDJ-DVECYGJZSA-N 0 3 441.576 2.505 20 0 IFADHN CCCN(CCC)c1cc(N2CC[C@@]3(C2)CCC[C@H](CN2CCN(C)CC2)O3)ncn1 ZINC001164884503 721424194 /nfs/dbraw/zinc/42/41/94/721424194.db2.gz DLGWNXGWFGRRMG-ZJSXRUAMSA-N 0 3 430.641 2.868 20 0 IFADHN CCCN(CCC)c1cc(N2CC[C@]3(C2)CCC[C@H](CN2CCN(C)CC2)O3)ncn1 ZINC001164884496 721424563 /nfs/dbraw/zinc/42/45/63/721424563.db2.gz DLGWNXGWFGRRMG-QPPBQGQZSA-N 0 3 430.641 2.868 20 0 IFADHN CCOC(=O)c1cnc2cc(N3CC[C@]4(C3)CCC[C@H](CN3CCN(C)CC3)O4)[nH]cc1-2 ZINC001164891592 721430739 /nfs/dbraw/zinc/43/07/39/721430739.db2.gz HETZHXNQPSAMKZ-KOSHJBKYSA-N 0 3 441.576 2.505 20 0 IFADHN O=C(C[C@@H]1COC[C@@H]2CN(c3ccc(CN4CCCC4)cn3)C[C@H]21)N1CCC(F)CC1 ZINC001164896958 721478810 /nfs/dbraw/zinc/47/88/10/721478810.db2.gz YNDZGZRZJLNAAJ-URVUXULASA-N 0 3 430.568 2.727 20 0 IFADHN O=C(C[C@@H]1COC[C@H]2CN(c3ccc(CN4CCCC4)cn3)C[C@H]21)N1CCC(F)CC1 ZINC001164896957 721478918 /nfs/dbraw/zinc/47/89/18/721478918.db2.gz YNDZGZRZJLNAAJ-SJBKTWHCSA-N 0 3 430.568 2.727 20 0 IFADHN CN(Cc1ccc(N2C[C@@H]3COC[C@@H](CC(=O)N4CCC(F)CC4)[C@H]3C2)nc1)C1CC1 ZINC001164894537 721479197 /nfs/dbraw/zinc/47/91/97/721479197.db2.gz NNDFOLAMTDXNPI-WOIUINJBSA-N 0 3 430.568 2.725 20 0 IFADHN CCOC(=O)c1cnc(SC)nc1N1CCN2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164901752 721510002 /nfs/dbraw/zinc/51/00/02/721510002.db2.gz YNWMOXKKIVKQKX-NVXWUHKLSA-N 0 3 432.521 2.856 20 0 IFADHN O=C(NC1CCCC1)c1ccc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)nn1 ZINC001164909949 721559062 /nfs/dbraw/zinc/55/90/62/721559062.db2.gz VULWGUUPSIBYLR-QUCCMNQESA-N 0 3 425.508 2.630 20 0 IFADHN Fc1cccc(O[C@@H]2C[C@H]3CN(c4nc(Cl)cc(O[C@H]5CCOC5)n4)CCN3C2)c1 ZINC001164907523 721566436 /nfs/dbraw/zinc/56/64/36/721566436.db2.gz NZBCIZXCDFBZJH-RYQLBKOJSA-N 0 3 434.899 2.779 20 0 IFADHN Cc1cccc(CN2CCO[C@H]3CN(c4ccc(CN(C)C5CC5)cn4)CC[C@H]3C2=O)n1 ZINC001164802698 721603011 /nfs/dbraw/zinc/60/30/11/721603011.db2.gz SUVSDEHKOJKPOI-PKTZIBPZSA-N 0 3 435.572 2.633 20 0 IFADHN O=C(NCCc1ccncc1)[C@@H]1CCO[C@H]2CCN(c3ccc(CN4CCCC4)cn3)C[C@H]12 ZINC001165013507 721754045 /nfs/dbraw/zinc/75/40/45/721754045.db2.gz MZQKYKFYPHKYJV-SMIHKQSGSA-N 0 3 449.599 2.663 20 0 IFADHN Fc1cnc(N2CCOC[C@]3(CCCN(c4ccc(CN5CCCC5)cn4)C3)C2)nc1 ZINC001164919766 721846236 /nfs/dbraw/zinc/84/62/36/721846236.db2.gz CPPBIVXVICJXMK-QHCPKHFHSA-N 0 3 426.540 2.730 20 0 IFADHN C[C@@H]1C(=O)NCCN1c1c2c(cnc1Cl)C1(CCN(Cc3ccccc3)CC1)OC2=O ZINC001165039205 721883400 /nfs/dbraw/zinc/88/34/00/721883400.db2.gz YUCGOFSZMZFAOW-OAHLLOKOSA-N 0 3 440.931 2.721 20 0 IFADHN COc1cc2ncnc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)c2cc1OC ZINC001164983946 722105511 /nfs/dbraw/zinc/10/55/11/722105511.db2.gz RJSKKACLVPEZTE-FDDCHVKYSA-N 0 3 435.528 2.769 20 0 IFADHN CC(C)(C)OC(=O)Nc1nccc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164982722 722109823 /nfs/dbraw/zinc/10/98/23/722109823.db2.gz XTZOUBHKEIEWCN-RBUKOAKNSA-N 0 3 440.548 2.946 20 0 IFADHN COc1cc2ncnc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)c2c(OC)c1 ZINC001164981904 722123089 /nfs/dbraw/zinc/12/30/89/722123089.db2.gz VKEULJJYHKBDDS-GCJKJVERSA-N 0 3 435.528 2.769 20 0 IFADHN CCOC(=O)c1cc2ccc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)[nH]c-2n1 ZINC001164983363 722130902 /nfs/dbraw/zinc/13/09/02/722130902.db2.gz UQZAFJLUSCOLBN-CTNGQTDRSA-N 0 3 435.528 2.862 20 0 IFADHN COC(=O)/C=C\c1cc2cc[nH]c2c(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164972841 722134167 /nfs/dbraw/zinc/13/41/67/722134167.db2.gz AXRNLMWSLXOKEI-JQALJYHRSA-N 0 3 447.539 2.871 20 0 IFADHN COC(=O)/C=C/c1cc2cc[nH]c2c(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164972845 722134529 /nfs/dbraw/zinc/13/45/29/722134529.db2.gz AXRNLMWSLXOKEI-RNGZTFIZSA-N 0 3 447.539 2.871 20 0 IFADHN CN(C)C(=O)c1cnc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)c(Cl)c1 ZINC001164982088 722143655 /nfs/dbraw/zinc/14/36/55/722143655.db2.gz QXPTVUAVEGMGBG-XLIONFOSSA-N 0 3 429.952 2.559 20 0 IFADHN CN(C)C(=O)c1cnc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)c(Cl)c1 ZINC001164982086 722144013 /nfs/dbraw/zinc/14/40/13/722144013.db2.gz QXPTVUAVEGMGBG-PXNSSMCTSA-N 0 3 429.952 2.559 20 0 IFADHN CS(=O)(=O)N1CC[C@]2(c3ccccc3)CCN(c3ccc(CN4CCCC4)cn3)C[C@H]12 ZINC001164991947 722187297 /nfs/dbraw/zinc/18/72/97/722187297.db2.gz RCTNDWAVFWTXSK-UPVQGACJSA-N 0 3 440.613 2.859 20 0 IFADHN CN(C)[C@@H](CNC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1)c1ccccc1 ZINC000002649519 562929199 /nfs/dbraw/zinc/92/91/99/562929199.db2.gz KDYRBDIMIJPFEH-NRFANRHFSA-N 0 3 427.526 2.791 20 0 IFADHN FC(F)(Oc1cccc(COc2cncc(Cl)n2)c1)N1CC[C@@H]2NCCO[C@H]2C1 ZINC001164388672 718825770 /nfs/dbraw/zinc/82/57/70/718825770.db2.gz DOJJFRUWWIACRU-HOTGVXAUSA-N 0 3 426.851 2.701 20 0 IFADHN CCOC(=O)C1CCN(C2CCN(C(F)(F)c3cnc(Cl)cc3C(N)=O)CC2)CC1 ZINC001164616993 719030843 /nfs/dbraw/zinc/03/08/43/719030843.db2.gz HKOISOQEDARDKP-UHFFFAOYSA-N 0 3 444.910 2.623 20 0 IFADHN COC(=O)c1cc2ccc(N3C[C@H](C)N(C)C[C@@H]3C)nc2n1S(=O)(=O)c1ccccc1 ZINC001164639378 719210967 /nfs/dbraw/zinc/21/09/67/719210967.db2.gz PYVFBHFRJCIWGL-HOTGVXAUSA-N 0 3 442.541 2.589 20 0 IFADHN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncnc3c1CCNC3)CC2 ZINC001164663905 719347783 /nfs/dbraw/zinc/34/77/83/719347783.db2.gz OSYAUDYUJWLQLK-UHFFFAOYSA-N 0 3 429.572 2.817 20 0 IFADHN CNC(=O)CN1CCCC12CCN(c1nc(Cl)nc3c(Cl)nc(Cl)nc31)CC2 ZINC001164682217 719708536 /nfs/dbraw/zinc/70/85/36/719708536.db2.gz CNNNBLIOWVPTAW-UHFFFAOYSA-N 0 3 444.754 2.561 20 0 IFADHN CNC(=O)CN1CCCC12CCN(c1nc(C)c(Cc3ccc(OC)cc3)c(C)n1)CC2 ZINC001164690079 719752516 /nfs/dbraw/zinc/75/25/16/719752516.db2.gz SBFJGKBIYWSCDI-UHFFFAOYSA-N 0 3 437.588 2.874 20 0 IFADHN COC[C@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)nc3[n-]c(C(=O)OC)cc31)C2 ZINC001164809943 720135899 /nfs/dbraw/zinc/13/58/99/720135899.db2.gz IUOUSHIEDZZYPD-SZNDQCEHSA-N 0 3 433.940 2.583 20 0 IFADHN COC[C@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)nc3[n-]c(C(=O)OC)cc31)C2 ZINC001164809943 720135915 /nfs/dbraw/zinc/13/59/15/720135915.db2.gz IUOUSHIEDZZYPD-SZNDQCEHSA-N 0 3 433.940 2.583 20 0 IFADHN CC(=O)Oc1cc2ncnc(N3CC[C@@H]4[C@H]3CCN4Cc3cccnc3)c2cc1OC(C)=O ZINC001164735066 720414378 /nfs/dbraw/zinc/41/43/78/720414378.db2.gz VMURWDDWAVMUSN-NHCUHLMSSA-N 0 3 447.495 2.729 20 0 IFADHN c1ccc(CN2CCc3nc(N4CCN5C[C@H](Oc6cncnc6)C[C@@H]5C4)ccc3C2)cc1 ZINC001164736724 720665175 /nfs/dbraw/zinc/66/51/75/720665175.db2.gz AUGTZTLOVPLYCV-DHIUTWEWSA-N 0 3 442.567 2.772 20 0 IFADHN CCOc1cc2ncnc(N3CCN4C[C@@H](Oc5cncnc5)C[C@H]4C3)c2cc1OCC ZINC001164740151 720697813 /nfs/dbraw/zinc/69/78/13/720697813.db2.gz QKPAYXRIILNCSS-IRXDYDNUSA-N 0 3 436.516 2.559 20 0 IFADHN c1ccc2nc(N3CCN4C[C@H](Oc5cncnc5)C[C@@H]4C3)c(N3CCCCC3)nc2c1 ZINC001164742859 720754674 /nfs/dbraw/zinc/75/46/74/720754674.db2.gz OOAHVAYBTMJKFQ-RTBURBONSA-N 0 3 431.544 2.752 20 0 IFADHN c1ccc2c(c1)nc(-c1cccnc1)nc2N1CCN2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164737187 720757984 /nfs/dbraw/zinc/75/79/84/720757984.db2.gz AMFAJLCJNBYGAY-OALUTQOASA-N 0 3 425.496 2.824 20 0 IFADHN CC(C)(C)OC(=O)Nc1cc(N2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)ncn1 ZINC001164871502 721060823 /nfs/dbraw/zinc/06/08/23/721060823.db2.gz ZJEXUFXDUFEWNJ-MSOLQXFVSA-N 0 3 426.521 2.698 20 0 IFADHN CC(C)(C)OC(=O)Nc1cc(N2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)ncn1 ZINC001164871504 721061332 /nfs/dbraw/zinc/06/13/32/721061332.db2.gz ZJEXUFXDUFEWNJ-QZTJIDSGSA-N 0 3 426.521 2.698 20 0 IFADHN CCOC(=O)c1cc2cccnc2nc1N1CCN2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164867379 721086063 /nfs/dbraw/zinc/08/60/63/721086063.db2.gz YGBIRVTZZBGHNS-UXHICEINSA-N 0 3 433.512 2.681 20 0 IFADHN CCOC(=O)c1ccc2ncnc(N3CCN4C[C@H](OCc5cccnc5)C[C@H]4C3)c2c1 ZINC001164864507 721089517 /nfs/dbraw/zinc/08/95/17/721089517.db2.gz GCYZVMHBVLRCBZ-VQTJNVASSA-N 0 3 433.512 2.681 20 0 IFADHN CC1CCN(C(=O)c2cccnc2N2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)CC1 ZINC001164873642 721143064 /nfs/dbraw/zinc/14/30/64/721143064.db2.gz JOQCVPHASQDRCA-YADHBBJMSA-N 0 3 435.572 2.828 20 0 IFADHN c1cncc(CO[C@H]2C[C@H]3CN(c4ccc(-c5ccc6c(c5)OCCO6)nn4)CCN3C2)c1 ZINC001164880433 721147392 /nfs/dbraw/zinc/14/73/92/721147392.db2.gz WOJKBFWDWFRONL-SFTDATJTSA-N 0 3 445.523 2.790 20 0 IFADHN Cn1cc(CN2CC[C@@H]3CN(c4cc(C(=O)NC(C)(C)C)cc(Cl)n4)C[C@@H]3C2)cn1 ZINC001164761698 721148162 /nfs/dbraw/zinc/14/81/62/721148162.db2.gz AKONXJLPDYOCNM-AEFFLSMTSA-N 0 3 430.984 2.955 20 0 IFADHN c1cncc(CO[C@@H]2C[C@H]3CN(c4nc(-c5cccnc5)nc5c4CCC5)CCN3C2)c1 ZINC001164876549 721168210 /nfs/dbraw/zinc/16/82/10/721168210.db2.gz NDQKRFUAQOJZAL-LEWJYISDSA-N 0 3 428.540 2.902 20 0 IFADHN NC(=S)c1cnc(N2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)c2sccc21 ZINC001164868281 721192759 /nfs/dbraw/zinc/19/27/59/721192759.db2.gz LOUZYHCQANPBHD-HZPDHXFCSA-N 0 3 425.583 2.805 20 0 IFADHN NC(=S)c1cnc(N2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c2sccc21 ZINC001164868279 721193131 /nfs/dbraw/zinc/19/31/31/721193131.db2.gz LOUZYHCQANPBHD-CVEARBPZSA-N 0 3 425.583 2.805 20 0 IFADHN CCOC(=O)c1cc2ccc(N3CC[C@]4(C3)CCC[C@H](CN3CCN(C)CC3)O4)[nH]c-2n1 ZINC001164885267 721424559 /nfs/dbraw/zinc/42/45/59/721424559.db2.gz GLIBBGYJDOHNEI-DVECYGJZSA-N 0 3 441.576 2.505 20 0 IFADHN CN1CCN(Cc2cn3c(n2)CN(c2nc(N4CCCC4)cc4ccccc42)CC3)CC1 ZINC001164796132 721519961 /nfs/dbraw/zinc/51/99/61/721519961.db2.gz VZZACRUWHKZGQT-UHFFFAOYSA-N 0 3 431.588 2.799 20 0 IFADHN CCOC(=O)c1nc2ccn(C)c2c(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164912017 721548283 /nfs/dbraw/zinc/54/82/83/721548283.db2.gz YDGYEFDDQBZXAV-AEFFLSMTSA-N 0 3 439.491 2.626 20 0 IFADHN CCOC(=O)c1nc2ccn(C)c2c(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164912023 721548634 /nfs/dbraw/zinc/54/86/34/721548634.db2.gz YDGYEFDDQBZXAV-WMZOPIPTSA-N 0 3 439.491 2.626 20 0 IFADHN COc1nc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)nc(N2CCCCCC2)n1 ZINC001164905909 721552527 /nfs/dbraw/zinc/55/25/27/721552527.db2.gz HZJILNGUQBLOLN-QUCCMNQESA-N 0 3 442.539 2.742 20 0 IFADHN CCN(CC)S(=O)(=O)c1ccc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)nc1 ZINC001164903139 721553362 /nfs/dbraw/zinc/55/33/62/721553362.db2.gz AYLYHHQYPCGOTG-UYAOXDASSA-N 0 3 448.564 2.593 20 0 IFADHN COC(=O)[C@H](C)c1c(Cl)ncnc1N1CCN2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164904254 721566940 /nfs/dbraw/zinc/56/69/40/721566940.db2.gz DQRMCBOJWVFWJZ-FRFSOERESA-N 0 3 434.899 2.888 20 0 IFADHN COc1cccc(CN2C[C@@H]3CCN(c4cc(CN(C)C)ccn4)CC[C@H]3S2(=O)=O)c1 ZINC001164806812 721592918 /nfs/dbraw/zinc/59/29/18/721592918.db2.gz NALYNIDFUBZFDV-RBBKRZOGSA-N 0 3 444.601 2.582 20 0 IFADHN CN(Cc1ccc(N2CC[C@@H]3OCC[C@H](C(=O)NCCc4ccncc4)[C@H]3C2)nc1)C1CC1 ZINC001165014296 721754114 /nfs/dbraw/zinc/75/41/14/721754114.db2.gz XUDNWOYNUPZTRQ-VXNXHJTFSA-N 0 3 449.599 2.661 20 0 IFADHN CN(Cc1ccc(N2CC[C@@H]3OCC[C@@H](C(=O)NCCc4ccncc4)[C@H]3C2)nc1)C1CC1 ZINC001165014295 721754226 /nfs/dbraw/zinc/75/42/26/721754226.db2.gz XUDNWOYNUPZTRQ-SMIHKQSGSA-N 0 3 449.599 2.661 20 0 IFADHN COC(=O)c1c(Cl)cnc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c1OC ZINC001164974240 722135601 /nfs/dbraw/zinc/13/56/01/722135601.db2.gz CQVFWYWGAGHQAM-FUHWJXTLSA-N 0 3 446.935 2.653 20 0 IFADHN Cc1cc(NC(=O)c2cccnc2N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)no1 ZINC001164982641 722139133 /nfs/dbraw/zinc/13/91/33/722139133.db2.gz RVLUKPRZHUAMRZ-CTNGQTDRSA-N 0 3 448.527 2.753 20 0 IFADHN FC(F)(COc1ccc(Cl)nn1)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164979609 722140492 /nfs/dbraw/zinc/14/04/92/722140492.db2.gz LNNIUMYMOFEAQR-SJORKVTESA-N 0 3 439.894 2.720 20 0 IFADHN CN(C)C(=O)c1cnc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c(Cl)c1 ZINC001164982091 722143755 /nfs/dbraw/zinc/14/37/55/722143755.db2.gz QXPTVUAVEGMGBG-YLJYHZDGSA-N 0 3 429.952 2.559 20 0 IFADHN COC(=O)[C@H](C)c1c(Cl)ncnc1N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164976160 722156876 /nfs/dbraw/zinc/15/68/76/722156876.db2.gz UIURIVQCQAQPDX-NXHRZFHOSA-N 0 3 445.951 2.529 20 0 IFADHN CN(Cc1ccc(N2CC[C@]3(c4ccccc4)CCN(S(C)(=O)=O)[C@@H]3C2)nc1)C1CC1 ZINC001164993449 722187246 /nfs/dbraw/zinc/18/72/46/722187246.db2.gz ZUGXDLGCGGKFMN-ISKFKSNPSA-N 0 3 440.613 2.858 20 0 IFADHN CS(=O)(=O)N1CC[C@@]2(c3ccccc3)CCN(c3ccc(CN4CCCC4)cn3)C[C@H]12 ZINC001164991944 722187274 /nfs/dbraw/zinc/18/72/74/722187274.db2.gz RCTNDWAVFWTXSK-LADGPHEKSA-N 0 3 440.613 2.859 20 0 IFADHN O=C(NCc1ccncc1)C1=NO[C@@]2(C1)CCCN(c1ccc(CN3CCCC3)cn1)C2 ZINC001164997872 722218658 /nfs/dbraw/zinc/21/86/58/722218658.db2.gz SQIYPRNDQSSXEQ-XMMPIXPASA-N 0 3 434.544 2.504 20 0 IFADHN O=C(OCc1ccccc1)c1cnc(Cl)nc1C(F)(F)N1CC[C@@H]2NCCO[C@H]2C1 ZINC001164390959 718821056 /nfs/dbraw/zinc/82/10/56/718821056.db2.gz RYKQRZWCXQCUIX-HOTGVXAUSA-N 0 3 438.862 2.599 20 0 IFADHN C[C@@H]1CCc2c(sc3nc(CN4CCCC4)nc(N4CC[C@@H]5NCCO[C@H]5C4)c23)C1 ZINC001164389715 718824408 /nfs/dbraw/zinc/82/44/08/718824408.db2.gz JKNBRPBAASLVDY-NJAFHUGGSA-N 0 3 427.618 2.979 20 0 IFADHN COC(=O)c1cc2ccc(N3C[C@H](C)N(C)C[C@H]3C)nc2n1S(=O)(=O)c1ccccc1 ZINC001164639384 719210246 /nfs/dbraw/zinc/21/02/46/719210246.db2.gz PYVFBHFRJCIWGL-JKSUJKDBSA-N 0 3 442.541 2.589 20 0 IFADHN CCOC(=O)c1sc2nc(CN3CCOCC3)nc(N3C[C@@H](C)N(C)C[C@H]3C)c2c1C ZINC001164637230 719237583 /nfs/dbraw/zinc/23/75/83/719237583.db2.gz UVXMYZZHIDSCFM-HUUCEWRRSA-N 0 3 447.605 2.537 20 0 IFADHN CC(C)CN1CCN(c2nccc(NC(=O)C(C)(C)C)c2CN2CC[C@@H](CO)C2)CC1 ZINC001164657594 719335538 /nfs/dbraw/zinc/33/55/38/719335538.db2.gz TWFRMDCAWGPYPU-LJQANCHMSA-N 0 3 431.625 2.658 20 0 IFADHN COC(=O)c1cnc(Cl)cc1C(F)(F)n1nc(CN(C)C(C)C)c2c1CNCC2 ZINC001164679541 719638481 /nfs/dbraw/zinc/63/84/81/719638481.db2.gz FZKPYRLVSVCBPA-UHFFFAOYSA-N 0 3 427.883 2.802 20 0 IFADHN CCN1CCCC[C@@H]1c1ccc(N2CC[C@H](N3CCOCC3)C[C@]2(C)C(=O)OC)nc1 ZINC001164703706 719876766 /nfs/dbraw/zinc/87/67/66/719876766.db2.gz KFIIETLZZGTNIA-YZUZCNPQSA-N 0 3 430.593 2.861 20 0 IFADHN COC(=O)c1cc2c(nc(Cl)nc2N2CC[C@@H]3[C@H]2CCN3Cc2cccnc2)n1C ZINC001164731513 720428338 /nfs/dbraw/zinc/42/83/38/720428338.db2.gz LITDLMFUPVULHS-HZPDHXFCSA-N 0 3 426.908 2.657 20 0 IFADHN c1ccc(CN2CCc3nc(N4CCN5C[C@@H](Oc6cncnc6)C[C@@H]5C4)ccc3C2)cc1 ZINC001164736729 720665595 /nfs/dbraw/zinc/66/55/95/720665595.db2.gz AUGTZTLOVPLYCV-PKTZIBPZSA-N 0 3 442.567 2.772 20 0 IFADHN c1cn(Cc2ccccc2)c2ncnc(N3CCN4C[C@@H](Oc5cncnc5)C[C@H]4C3)c12 ZINC001164741950 720711547 /nfs/dbraw/zinc/71/15/47/720711547.db2.gz USJMNUBUTJBMMW-PMACEKPBSA-N 0 3 427.512 2.612 20 0 IFADHN Cc1ccc(-c2nc3c(ncnc3N3CCN4C[C@H](Oc5cncnc5)C[C@H]4C3)o2)cc1 ZINC001164747007 720768982 /nfs/dbraw/zinc/76/89/82/720768982.db2.gz ZQMPSCYAZCJMGK-ZWKOTPCHSA-N 0 3 429.484 2.725 20 0 IFADHN O=C(NCc1ccccn1)[C@@H]1CCO[C@H]2CCN(c3ncccc3CN3CCCC3)C[C@@H]12 ZINC001164758004 721023427 /nfs/dbraw/zinc/02/34/27/721023427.db2.gz HLULYRRMUWVDCD-VJBWXMMDSA-N 0 3 435.572 2.620 20 0 IFADHN CCOC(=O)c1nc2ccccc2c(N2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164870473 721052896 /nfs/dbraw/zinc/05/28/96/721052896.db2.gz VZNVJXUMRJSKIX-MOPGFXCFSA-N 0 3 433.512 2.681 20 0 IFADHN COc1cc2nc(Cl)nc(N3C[C@H]4CCN(Cc5cnn(C)c5)C[C@H]4C3)c2cc1OC ZINC001164771394 721108448 /nfs/dbraw/zinc/10/84/48/721108448.db2.gz SNQPUKCBPBZMEI-CVEARBPZSA-N 0 3 442.951 2.992 20 0 IFADHN CCOC(=O)c1cc2ncnc(N3CCN4C[C@@H](OCc5cccnc5)C[C@@H]4C3)c2s1 ZINC001164864850 721114813 /nfs/dbraw/zinc/11/48/13/721114813.db2.gz GVVVXOWGVIRTBK-SJORKVTESA-N 0 3 439.541 2.743 20 0 IFADHN Cn1cc(CN2CC[C@@H]3CN(c4ncnc5c4CCN(Cc4ccccc4)C5)C[C@H]3C2)cn1 ZINC001164771362 721116383 /nfs/dbraw/zinc/11/63/83/721116383.db2.gz SHGPYVQSXCPNOF-DHIUTWEWSA-N 0 3 443.599 2.727 20 0 IFADHN Cc1cc(NC(=O)c2cccnc2N2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)no1 ZINC001164875514 721137606 /nfs/dbraw/zinc/13/76/06/721137606.db2.gz LRXBHPRUYABFAC-MOPGFXCFSA-N 0 3 434.500 2.505 20 0 IFADHN c1cncc(CO[C@@H]2C[C@H]3CN(c4ccc(-c5ccc6c(c5)OCCO6)nn4)CCN3C2)c1 ZINC001164880430 721148048 /nfs/dbraw/zinc/14/80/48/721148048.db2.gz WOJKBFWDWFRONL-LEWJYISDSA-N 0 3 445.523 2.790 20 0 IFADHN c1cncc(CO[C@H]2C[C@H]3CN(c4nc(-c5ccncc5)nc5c4CCC5)CCN3C2)c1 ZINC001164875305 721166523 /nfs/dbraw/zinc/16/65/23/721166523.db2.gz KTUAQDBRGPUCJW-SFTDATJTSA-N 0 3 428.540 2.902 20 0 IFADHN CC(C)CNC(=O)c1ccc2c(c1)ncnc2N1C[C@@H]2CCN(Cc3cnn(C)c3)C[C@@H]2C1 ZINC001164770959 721172082 /nfs/dbraw/zinc/17/20/82/721172082.db2.gz PJULVCJVZRGEKL-LEWJYISDSA-N 0 3 447.587 2.707 20 0 IFADHN Cn1cc(CN2CC[C@H]3CN(c4ccc(-c5ccc6c(c5)OCCO6)nn4)C[C@H]3C2)cn1 ZINC001164773340 721203229 /nfs/dbraw/zinc/20/32/29/721203229.db2.gz WIPKLNIXDHBLNZ-VQTJNVASSA-N 0 3 432.528 2.607 20 0 IFADHN Cn1cc(CN2CC[C@@H]3CN(c4ccc(-c5ccc6c(c5)OCCO6)nn4)C[C@H]3C2)cn1 ZINC001164773341 721203667 /nfs/dbraw/zinc/20/36/67/721203667.db2.gz WIPKLNIXDHBLNZ-WOJBJXKFSA-N 0 3 432.528 2.607 20 0 IFADHN COc1ccc(-c2ccc(N3C[C@H]4CCN(Cc5cnn(C)c5)C[C@H]4C3)nn2)c(OC)c1 ZINC001164769185 721217633 /nfs/dbraw/zinc/21/76/33/721217633.db2.gz LVJDSDOUZMRHGQ-MOPGFXCFSA-N 0 3 434.544 2.853 20 0 IFADHN CCOC(=O)c1cnc(SC)nc1N1CCN2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164901756 721509955 /nfs/dbraw/zinc/50/99/55/721509955.db2.gz YNWMOXKKIVKQKX-WBVHZDCISA-N 0 3 432.521 2.856 20 0 IFADHN CCOC(=O)c1cnc(SC)nc1N1CCN2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164901750 721510317 /nfs/dbraw/zinc/51/03/17/721510317.db2.gz YNWMOXKKIVKQKX-DOTOQJQBSA-N 0 3 432.521 2.856 20 0 IFADHN CCOC(=O)Cc1nc(Cl)cc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164909749 721529297 /nfs/dbraw/zinc/52/92/97/721529297.db2.gz RSTZWZFTFFLPIG-DOTOQJQBSA-N 0 3 434.899 2.717 20 0 IFADHN COC(=O)c1c[nH]c2nc(Cl)nc(N3CCN4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)c12 ZINC001164907548 721551168 /nfs/dbraw/zinc/55/11/68/721551168.db2.gz OHKBTWSTVKTGJD-DZGCQCFKSA-N 0 3 445.882 2.879 20 0 IFADHN COc1nc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)nc(N2CCCCCC2)n1 ZINC001164905912 721552841 /nfs/dbraw/zinc/55/28/41/721552841.db2.gz HZJILNGUQBLOLN-UYAOXDASSA-N 0 3 442.539 2.742 20 0 IFADHN Fc1cccc(O[C@@H]2C[C@H]3CN(c4nc(Cl)cc(O[C@@H]5CCOC5)n4)CCN3C2)c1 ZINC001164907521 721566115 /nfs/dbraw/zinc/56/61/15/721566115.db2.gz NZBCIZXCDFBZJH-CGTJXYLNSA-N 0 3 434.899 2.779 20 0 IFADHN COc1cccc(CN2C[C@H]3CCN(c4cc(CN(C)C)ccn4)CC[C@H]3S2(=O)=O)c1 ZINC001164806808 721592992 /nfs/dbraw/zinc/59/29/92/721592992.db2.gz NALYNIDFUBZFDV-IFMALSPDSA-N 0 3 444.601 2.582 20 0 IFADHN COC(=O)CSc1cccc(N2CCC3(CC2)COCCN(Cc2ccncc2)C3)n1 ZINC001164961556 722058826 /nfs/dbraw/zinc/05/88/26/722058826.db2.gz LVVIAIPTDXFMSB-UHFFFAOYSA-N 0 3 442.585 2.861 20 0 IFADHN COC(=O)c1ccc2c(c1)ncnc2N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164975440 722104268 /nfs/dbraw/zinc/10/42/68/722104268.db2.gz BQEQBNFRHRGDKH-KNQAVFIVSA-N 0 3 433.512 2.539 20 0 IFADHN c1cncc(CN2CCO[C@@H]3CN(c4ncnc5cc6c(cc54)OCCO6)CC[C@@H]3C2)c1 ZINC001164974711 722105233 /nfs/dbraw/zinc/10/52/33/722105233.db2.gz BLSDNKYVYNGQMQ-WZONZLPQSA-N 0 3 433.512 2.523 20 0 IFADHN COc1cc2ncnc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)c2cc1OC ZINC001164983950 722105833 /nfs/dbraw/zinc/10/58/33/722105833.db2.gz RJSKKACLVPEZTE-JPYJTQIMSA-N 0 3 435.528 2.769 20 0 IFADHN CCOC(=O)c1cc2ccnc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)c2[nH]1 ZINC001164976382 722111345 /nfs/dbraw/zinc/11/13/45/722111345.db2.gz LMJLLJNMSUPMNE-FPOVZHCZSA-N 0 3 435.528 2.862 20 0 IFADHN CCOC(=O)c1cc2ccc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)[nH]c-2n1 ZINC001164983367 722131051 /nfs/dbraw/zinc/13/10/51/722131051.db2.gz UQZAFJLUSCOLBN-PZJWPPBQSA-N 0 3 435.528 2.862 20 0 IFADHN Cc1cc(NC(=O)c2cccnc2N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)no1 ZINC001164982654 722138842 /nfs/dbraw/zinc/13/88/42/722138842.db2.gz RVLUKPRZHUAMRZ-TZIWHRDSSA-N 0 3 448.527 2.753 20 0 IFADHN FC(F)(COc1ccc(Cl)nn1)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164979608 722140742 /nfs/dbraw/zinc/14/07/42/722140742.db2.gz LNNIUMYMOFEAQR-IRXDYDNUSA-N 0 3 439.894 2.720 20 0 IFADHN FC(F)(c1nc2[nH]cnc2c(Cl)n1)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164975090 722142201 /nfs/dbraw/zinc/14/22/01/722142201.db2.gz DVLCHMCKQZANRC-HUUCEWRRSA-N 0 3 449.893 2.625 20 0 IFADHN COc1nnc(Cl)cc1C(F)(F)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164975444 722156628 /nfs/dbraw/zinc/15/66/28/722156628.db2.gz SVSXGMJFKRQJGL-WBVHZDCISA-N 0 3 439.894 2.806 20 0 IFADHN CN(Cc1ccc(N2CC[C@@]3(c4ccccc4)CCN(S(C)(=O)=O)[C@@H]3C2)nc1)C1CC1 ZINC001164993484 722187300 /nfs/dbraw/zinc/18/73/00/722187300.db2.gz ZUGXDLGCGGKFMN-VWNXMTODSA-N 0 3 440.613 2.858 20 0 IFADHN CS(=O)(=O)N1CC[C@@]2(c3ccccc3)CCN(c3ccc(CN4CCCC4)cn3)C[C@@H]12 ZINC001164991940 722187307 /nfs/dbraw/zinc/18/73/07/722187307.db2.gz RCTNDWAVFWTXSK-ISKFKSNPSA-N 0 3 440.613 2.859 20 0 IFADHN COc1ccc([C@H]2[C@@H](C(=O)NCCN(C)C)CCC(=O)N2c2ccc(OC)cc2)cc1 ZINC000004563171 536946797 /nfs/dbraw/zinc/94/67/97/536946797.db2.gz SSKATIMLJVUIDA-GMAHTHKFSA-N 0 3 425.529 2.866 20 0 IFADHN O=C1NCCN(c2nc(CN3CCCCC3)nc3scc(-c4ccccc4)c32)C12CNC2 ZINC001164410638 718879132 /nfs/dbraw/zinc/87/91/32/718879132.db2.gz FLROLTOYXHCXSF-UHFFFAOYSA-N 0 3 448.596 2.622 20 0 IFADHN O=C1NCCN(C(F)(F)c2cc(-c3cccc(C(F)(F)F)c3)nnc2Cl)C12CNC2 ZINC001164413185 718879509 /nfs/dbraw/zinc/87/95/09/718879509.db2.gz CWYPSFYQAHRLNT-UHFFFAOYSA-N 0 3 447.795 2.639 20 0 IFADHN COC(=O)c1nc(Cl)ccc1-c1ccc(C(F)(F)N2CCNC[C@@H]2C(=O)OC)cc1 ZINC001164631741 719135395 /nfs/dbraw/zinc/13/53/95/719135395.db2.gz OGTHJLOCLBDJGZ-OAHLLOKOSA-N 0 3 439.846 2.685 20 0 IFADHN CC(C)N(C)Cc1nn([C@](F)(COc2cncc(Cl)n2)C(F)F)c2c1CCNC2 ZINC001164680560 719642643 /nfs/dbraw/zinc/64/26/43/719642643.db2.gz WBPLONQJXWXOFW-GOSISDBHSA-N 0 3 432.878 2.779 20 0 IFADHN COC(=O)c1cc2c(nc(Cl)nc2N2CC[C@@H]3[C@@H]2CCN3Cc2cccnc2)n1C ZINC001164731511 720428002 /nfs/dbraw/zinc/42/80/02/720428002.db2.gz LITDLMFUPVULHS-CVEARBPZSA-N 0 3 426.908 2.657 20 0 IFADHN c1nc2n(c1CN1CCCC1)CCN(c1ncnc3c1CN(Cc1ccccc1)CC3)CC2 ZINC001164732669 720553973 /nfs/dbraw/zinc/55/39/73/720553973.db2.gz CIMDSCOMTWWJJA-UHFFFAOYSA-N 0 3 443.599 2.890 20 0 IFADHN CC(C)N1[C@@H]2CCN(c3nc(Cl)ccc3S(C)(=O)=O)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164844099 720592281 /nfs/dbraw/zinc/59/22/81/720592281.db2.gz YPTQZQZJOJCJHG-IXDOHACOSA-N 0 3 437.997 2.713 20 0 IFADHN CN(C)c1cc(Cl)nc(C(F)(F)N2CCCn3cnc(CNC4CCC4)c3C2)n1 ZINC001164836852 720736380 /nfs/dbraw/zinc/73/63/80/720736380.db2.gz GIMHXQFVIKTCMT-UHFFFAOYSA-N 0 3 425.915 2.990 20 0 IFADHN Cc1ccc(-c2nc3c(ncnc3N3CCN4C[C@@H](Oc5cncnc5)C[C@@H]4C3)o2)cc1 ZINC001164746994 720769368 /nfs/dbraw/zinc/76/93/68/720769368.db2.gz ZQMPSCYAZCJMGK-MSOLQXFVSA-N 0 3 429.484 2.725 20 0 IFADHN CC(C)(C)OC(=O)Nc1nccc(N2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164867967 721071309 /nfs/dbraw/zinc/07/13/09/721071309.db2.gz LLSNDNSQKBAADB-QZTJIDSGSA-N 0 3 426.521 2.698 20 0 IFADHN CC(C)(C)OC(=O)Nc1nccc(N2CCN3C[C@@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164867968 721071591 /nfs/dbraw/zinc/07/15/91/721071591.db2.gz LLSNDNSQKBAADB-ROUUACIJSA-N 0 3 426.521 2.698 20 0 IFADHN Cn1cc(CN2CC[C@@H]3CN(c4ncnc5c4CN(Cc4ccccc4)CC5)C[C@H]3C2)cn1 ZINC001164761505 721086886 /nfs/dbraw/zinc/08/68/86/721086886.db2.gz BLOMKRMPYYNZOE-DHIUTWEWSA-N 0 3 443.599 2.727 20 0 IFADHN CCOC(=O)c1cc2ncnc(N3CCN4C[C@@H](OCc5cccnc5)C[C@H]4C3)c2s1 ZINC001164864849 721114712 /nfs/dbraw/zinc/11/47/12/721114712.db2.gz GVVVXOWGVIRTBK-IRXDYDNUSA-N 0 3 439.541 2.743 20 0 IFADHN CC(C)n1cnc2c1nc(Cl)nc2N1CCN2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164865803 721119224 /nfs/dbraw/zinc/11/92/24/721119224.db2.gz PQDXWWCRHGLDQV-IAGOWNOFSA-N 0 3 427.940 2.935 20 0 IFADHN CC1CCN(C(=O)c2ccc(N3CCN4C[C@@H](OCc5cccnc5)C[C@@H]4C3)nc2)CC1 ZINC001164871028 721141572 /nfs/dbraw/zinc/14/15/72/721141572.db2.gz CZIGRZBODUWEQL-PKTZIBPZSA-N 0 3 435.572 2.828 20 0 IFADHN Cn1cc(CN2CC[C@H]3CN(c4cc(C(=O)NC(C)(C)C)cc(Cl)n4)C[C@H]3C2)cn1 ZINC001164761699 721150514 /nfs/dbraw/zinc/15/05/14/721150514.db2.gz AKONXJLPDYOCNM-FUHWJXTLSA-N 0 3 430.984 2.955 20 0 IFADHN c1nc2c(ncnc2N2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)n1-c1ccccc1 ZINC001164880675 721173299 /nfs/dbraw/zinc/17/32/99/721173299.db2.gz WVOSUIJZFZPYSH-NHCUHLMSSA-N 0 3 427.512 2.690 20 0 IFADHN COc1ccc(-c2ccc(N3C[C@H]4CN(Cc5cnn(C)c5)CC[C@@H]4C3)nn2)c(OC)c1 ZINC001164769205 721218203 /nfs/dbraw/zinc/21/82/03/721218203.db2.gz LVJDSDOUZMRHGQ-RTBURBONSA-N 0 3 434.544 2.853 20 0 IFADHN COC(=O)c1nc(N2C[C@H]3CCN(Cc4cnn(C)c4)C[C@H]3C2)c2ccccc2c1OC ZINC001164773366 721222998 /nfs/dbraw/zinc/22/29/98/721222998.db2.gz WSMWXUIEUFYABT-MSOLQXFVSA-N 0 3 435.528 2.722 20 0 IFADHN COc1ccc(CN(C)c2ccnc(N3C[C@H]4CN(Cc5cnn(C)c5)CC[C@@H]4C3)n2)cc1 ZINC001164767952 721231071 /nfs/dbraw/zinc/23/10/71/721231071.db2.gz XGTFQMQPEYNYGD-FGZHOGPDSA-N 0 3 447.587 2.813 20 0 IFADHN COc1ccc(CN(C)c2ccnc(N3C[C@H]4CCN(Cc5cnn(C)c5)C[C@H]4C3)n2)cc1 ZINC001164767954 721233923 /nfs/dbraw/zinc/23/39/23/721233923.db2.gz XGTFQMQPEYNYGD-YADHBBJMSA-N 0 3 447.587 2.813 20 0 IFADHN COC(=O)c1ccc2ccnc(N3CC[C@@]4(C3)CCC[C@H](CN3CCN(C)CC3)O4)c2c1 ZINC001164888893 721404050 /nfs/dbraw/zinc/40/40/50/721404050.db2.gz PDLUIQHCFKQXNO-PXDATVDWSA-N 0 3 438.572 2.787 20 0 IFADHN COC(=O)c1ccc2ccnc(N3CC[C@]4(C3)CCC[C@@H](CN3CCN(C)CC3)O4)c2c1 ZINC001164888891 721404220 /nfs/dbraw/zinc/40/42/20/721404220.db2.gz PDLUIQHCFKQXNO-OFVILXPXSA-N 0 3 438.572 2.787 20 0 IFADHN CCOC(=O)c1c(C)cc(N2CC[C@@]3(C2)CCC[C@H](CN2CCN(C)CC2)O3)nc1C ZINC001164884654 721419887 /nfs/dbraw/zinc/41/98/87/721419887.db2.gz FHAFHYJUVHTKHN-HYBUGGRVSA-N 0 3 430.593 2.641 20 0 IFADHN CN1CCN(C[C@H]2CCC[C@@]3(CCN(C(F)(F)c4cc(Cl)nc(=S)[nH]4)C3)O2)CC1 ZINC001164894310 721427705 /nfs/dbraw/zinc/42/77/05/721427705.db2.gz LLSUVIQCQMZAPI-KDOFPFPSSA-N 0 3 447.983 2.729 20 0 IFADHN CCOC(=O)c1cnc2cc(N3CC[C@@]4(C3)CCC[C@H](CN3CCN(C)CC3)O4)[nH]cc1-2 ZINC001164891591 721430839 /nfs/dbraw/zinc/43/08/39/721430839.db2.gz HETZHXNQPSAMKZ-HOYKHHGWSA-N 0 3 441.576 2.505 20 0 IFADHN CN(Cc1ccc(N2C[C@@H]3COC[C@@H](CC(=O)N4CCC(F)CC4)[C@@H]3C2)nc1)C1CC1 ZINC001164894530 721479182 /nfs/dbraw/zinc/47/91/82/721479182.db2.gz NNDFOLAMTDXNPI-KNKQGSTJSA-N 0 3 430.568 2.725 20 0 IFADHN CN(Cc1ccc(N2C[C@@H]3COC[C@H](CC(=O)N4CCC(F)CC4)[C@@H]3C2)nc1)C1CC1 ZINC001164894525 721479333 /nfs/dbraw/zinc/47/93/33/721479333.db2.gz NNDFOLAMTDXNPI-JQVVWYNYSA-N 0 3 430.568 2.725 20 0 IFADHN CCOC(=O)Cc1nc(Cl)cc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164909756 721529597 /nfs/dbraw/zinc/52/95/97/721529597.db2.gz RSTZWZFTFFLPIG-WBVHZDCISA-N 0 3 434.899 2.717 20 0 IFADHN CCN(CC)S(=O)(=O)c1ccc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)nc1 ZINC001164903137 721553325 /nfs/dbraw/zinc/55/33/25/721553325.db2.gz AYLYHHQYPCGOTG-ICSRJNTNSA-N 0 3 448.564 2.593 20 0 IFADHN CCOC(=O)[C@@H]1CCc2nnc(N3CCN4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)cc2C1 ZINC001164905885 721567908 /nfs/dbraw/zinc/56/79/08/721567908.db2.gz HQTLTCHXMUKKRX-PBEJRMEISA-N 0 3 440.519 2.626 20 0 IFADHN Cc1cccc(CN2CCO[C@H]3CN(c4ccc(CN(C)C5CC5)cn4)CC[C@@H]3C2=O)n1 ZINC001164802697 721603034 /nfs/dbraw/zinc/60/30/34/721603034.db2.gz SUVSDEHKOJKPOI-GOTSBHOMSA-N 0 3 435.572 2.633 20 0 IFADHN Cc1cccc(CN2CCO[C@H]3CN(c4ncccc4CN4CCCC4)CC[C@H]3C2=O)n1 ZINC001164804149 721603220 /nfs/dbraw/zinc/60/32/20/721603220.db2.gz XNMMUJIBQPTLJT-PKTZIBPZSA-N 0 3 435.572 2.635 20 0 IFADHN O=C(NCCc1ccncc1)[C@@H]1CCO[C@@H]2CCN(c3ccc(CN4CCCC4)cn3)C[C@@H]21 ZINC001165013509 721753955 /nfs/dbraw/zinc/75/39/55/721753955.db2.gz MZQKYKFYPHKYJV-WXFUMESZSA-N 0 3 449.599 2.663 20 0 IFADHN CCOC(=O)c1cnc2cc(N3CCC4(CC3)C(=O)NCCN4Cc3ccccc3)[nH]cc1-2 ZINC001164948330 721977854 /nfs/dbraw/zinc/97/78/54/721977854.db2.gz XPBNRDYDJIARTK-UHFFFAOYSA-N 0 3 447.539 2.711 20 0 IFADHN COC(=O)c1ccc2ncnc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)c2c1 ZINC001164983436 722104598 /nfs/dbraw/zinc/10/45/98/722104598.db2.gz QDPCPOQLZFEKCN-SIKLNZKXSA-N 0 3 433.512 2.539 20 0 IFADHN CC(C)(C)OC(=O)Nc1cc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)ncn1 ZINC001164985282 722105421 /nfs/dbraw/zinc/10/54/21/722105421.db2.gz WEUUNYNYBUKNLN-OALUTQOASA-N 0 3 440.548 2.946 20 0 IFADHN CC(C)(C)OC(=O)Nc1nccc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164982716 722109608 /nfs/dbraw/zinc/10/96/08/722109608.db2.gz XTZOUBHKEIEWCN-MOPGFXCFSA-N 0 3 440.548 2.946 20 0 IFADHN COC(=O)/C=C/c1cc2cc[nH]c2c(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164972847 722133777 /nfs/dbraw/zinc/13/37/77/722133777.db2.gz AXRNLMWSLXOKEI-VZXQUVTFSA-N 0 3 447.539 2.871 20 0 IFADHN CS(=O)(=O)N1CC[C@]2(c3ccccc3)CCN(c3ncccc3CN3CCCC3)C[C@H]12 ZINC001164990327 722187360 /nfs/dbraw/zinc/18/73/60/722187360.db2.gz LPBXSYUZQABFLT-UPVQGACJSA-N 0 3 440.613 2.859 20 0 IFADHN CCOC(=O)C1CCN(C2CCN(C(F)(F)c3ccc(C(N)=O)c(Cl)n3)CC2)CC1 ZINC001164614013 719022328 /nfs/dbraw/zinc/02/23/28/719022328.db2.gz KROILAXLOOKGGA-UHFFFAOYSA-N 0 3 444.910 2.623 20 0 IFADHN COCCN1CCN(C)C2(CCN(c3nc(N4CCCC4)cc4ccccc43)CC2)C1=O ZINC001164644725 719281010 /nfs/dbraw/zinc/28/10/10/719281010.db2.gz SKDMDPOSCKXYTI-UHFFFAOYSA-N 0 3 437.588 2.594 20 0 IFADHN CN(Cc1ccc(N2CC[C@]3(CC(C(=O)NCc4ccc(F)cc4)=NO3)C2)nc1)C1CC1 ZINC001164654113 719322323 /nfs/dbraw/zinc/32/23/23/719322323.db2.gz OPUXSLSMZQEOOJ-DEOSSOPVSA-N 0 3 437.519 2.857 20 0 IFADHN CNC(=O)CN1CCCC12CCN(c1ncc(C(=O)NC3CCCC3)cc1Cl)CC2 ZINC001164690243 719743040 /nfs/dbraw/zinc/74/30/40/719743040.db2.gz WOSPCWVHNCUXDQ-UHFFFAOYSA-N 0 3 433.984 2.588 20 0 IFADHN Cc1nc(CN2CCCC23CCN(c2ccnc(N4CCN(C)CC4)n2)CC3)cs1 ZINC001164693520 719815131 /nfs/dbraw/zinc/81/51/31/719815131.db2.gz VZEAIDDEUVSMIY-UHFFFAOYSA-N 0 3 427.622 2.628 20 0 IFADHN c1ccc2c(c1)nc(-c1cccnc1)nc2N1CCN2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164737186 720758819 /nfs/dbraw/zinc/75/88/19/720758819.db2.gz AMFAJLCJNBYGAY-MOPGFXCFSA-N 0 3 425.496 2.824 20 0 IFADHN c1ccc(-c2nc3ccccc3c(N3CCN4C[C@@H](Oc5cncnc5)C[C@@H]4C3)n2)nc1 ZINC001164737154 720759572 /nfs/dbraw/zinc/75/95/72/720759572.db2.gz AEWBCZKMNZMIOG-MSOLQXFVSA-N 0 3 425.496 2.824 20 0 IFADHN CN(Cc1ccc(N2CC[C@@H]3OCC[C@H](C(=O)NCc4ccccn4)[C@@H]3C2)nc1)C1CC1 ZINC001164762382 721022778 /nfs/dbraw/zinc/02/27/78/721022778.db2.gz VISAMLYELPSWAV-VABKMULXSA-N 0 3 435.572 2.619 20 0 IFADHN O=C(NCc1ccccn1)[C@@H]1CCO[C@H]2CCN(c3ncccc3CN3CCCC3)C[C@H]12 ZINC001164758006 721023476 /nfs/dbraw/zinc/02/34/76/721023476.db2.gz HLULYRRMUWVDCD-ZLNRFVROSA-N 0 3 435.572 2.620 20 0 IFADHN CCOC(=O)c1cc2cccnc2nc1N1CCN2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164867383 721085888 /nfs/dbraw/zinc/08/58/88/721085888.db2.gz YGBIRVTZZBGHNS-WOJBJXKFSA-N 0 3 433.512 2.681 20 0 IFADHN Cn1cc(CN2CC[C@H]3CN(c4ncnc5c4CCN(Cc4ccccc4)C5)C[C@H]3C2)cn1 ZINC001164771365 721116548 /nfs/dbraw/zinc/11/65/48/721116548.db2.gz SHGPYVQSXCPNOF-XZOQPEGZSA-N 0 3 443.599 2.727 20 0 IFADHN c1cncc(CO[C@@H]2C[C@@H]3CN(c4ccc(-c5ccc6c(c5)OCCO6)nn4)CCN3C2)c1 ZINC001164880431 721147144 /nfs/dbraw/zinc/14/71/44/721147144.db2.gz WOJKBFWDWFRONL-NHCUHLMSSA-N 0 3 445.523 2.790 20 0 IFADHN CCN(CC)C(=O)c1cc(Cl)nc(N2C[C@H]3CCN(Cc4cnn(C)c4)C[C@H]3C2)c1 ZINC001164764781 721148551 /nfs/dbraw/zinc/14/85/51/721148551.db2.gz HXBWSMMNOVJZJU-MJGOQNOKSA-N 0 3 430.984 2.909 20 0 IFADHN c1cncc(CO[C@H]2C[C@@H]3CN(c4nc(-c5cccnc5)nc5c4CCC5)CCN3C2)c1 ZINC001164876554 721167453 /nfs/dbraw/zinc/16/74/53/721167453.db2.gz NDQKRFUAQOJZAL-RTWAWAEBSA-N 0 3 428.540 2.902 20 0 IFADHN c1nc2c(ncnc2N2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)n1-c1ccccc1 ZINC001164880674 721173673 /nfs/dbraw/zinc/17/36/73/721173673.db2.gz WVOSUIJZFZPYSH-LEWJYISDSA-N 0 3 427.512 2.690 20 0 IFADHN CCCN(CCC)c1cc(N2CC[C@@]3(C2)CCC[C@@H](CN2CCN(C)CC2)O3)ncn1 ZINC001164884500 721424290 /nfs/dbraw/zinc/42/42/90/721424290.db2.gz DLGWNXGWFGRRMG-XUZZJYLKSA-N 0 3 430.641 2.868 20 0 IFADHN CCOC(=O)c1cc2ccc(N3CC[C@@]4(C3)CCC[C@@H](CN3CCN(C)CC3)O4)[nH]c-2n1 ZINC001164885270 721424632 /nfs/dbraw/zinc/42/46/32/721424632.db2.gz GLIBBGYJDOHNEI-YADARESESA-N 0 3 441.576 2.505 20 0 IFADHN CCOC(=O)c1cnc2cc(N3CC[C@]4(C3)CCC[C@@H](CN3CCN(C)CC3)O4)[nH]cc1-2 ZINC001164891594 721430923 /nfs/dbraw/zinc/43/09/23/721430923.db2.gz HETZHXNQPSAMKZ-UUOWRZLLSA-N 0 3 441.576 2.505 20 0 IFADHN O=C(C[C@@H]1COC[C@H]2CN(c3ncccc3CN3CCCC3)C[C@H]21)N1CCC(F)CC1 ZINC001164895688 721479684 /nfs/dbraw/zinc/47/96/84/721479684.db2.gz MQFGDBYZQGDGJQ-SJBKTWHCSA-N 0 3 430.568 2.727 20 0 IFADHN O=C(C[C@@H]1COC[C@H]2CN(c3ncccc3CN3CCCC3)C[C@@H]21)N1CCC(F)CC1 ZINC001164895683 721479902 /nfs/dbraw/zinc/47/99/02/721479902.db2.gz MQFGDBYZQGDGJQ-KCZVDYSFSA-N 0 3 430.568 2.727 20 0 IFADHN O=C(NC1CCCC1)c1ccc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)nn1 ZINC001164909947 721559051 /nfs/dbraw/zinc/55/90/51/721559051.db2.gz VULWGUUPSIBYLR-ICSRJNTNSA-N 0 3 425.508 2.630 20 0 IFADHN COC(=O)[C@H](C)c1c(Cl)ncnc1N1CCN2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164904258 721567339 /nfs/dbraw/zinc/56/73/39/721567339.db2.gz DQRMCBOJWVFWJZ-KMFMINBZSA-N 0 3 434.899 2.888 20 0 IFADHN Cc1cccc(CN2CCO[C@H]3CN(c4ccc(CN5CCCC5)cn4)CC[C@@H]3C2=O)n1 ZINC001164799941 721602990 /nfs/dbraw/zinc/60/29/90/721602990.db2.gz LBCUDHCWEKBUNU-GOTSBHOMSA-N 0 3 435.572 2.635 20 0 IFADHN Cc1cccc(CN2CCO[C@@H]3CN(c4ncccc4CN4CCCC4)CC[C@H]3C2=O)n1 ZINC001164804147 721603197 /nfs/dbraw/zinc/60/31/97/721603197.db2.gz XNMMUJIBQPTLJT-DHIUTWEWSA-N 0 3 435.572 2.635 20 0 IFADHN FC1(F)CCN(c2ccc(Cn3cncn3)cn2)C[C@]12CCN(Cc1ccccn1)C2 ZINC001164909692 721724269 /nfs/dbraw/zinc/72/42/69/721724269.db2.gz CZCHEUVJCYVAME-OAQYLSRUSA-N 0 3 425.487 2.854 20 0 IFADHN COc1cccc(OC)c1CN1CCC(N(C)c2cccc(N3CCN(C)CC3)n2)CC1 ZINC001165020401 721842216 /nfs/dbraw/zinc/84/22/16/721842216.db2.gz DBXFKDDPKITKIL-UHFFFAOYSA-N 0 3 439.604 2.951 20 0 IFADHN COC(=O)c1c[n-]c2nc[nH+]c(N3CCC4(CC3)CN(Cc3ccc(C)cc3)CCO4)c12 ZINC001164939182 721928120 /nfs/dbraw/zinc/92/81/20/721928120.db2.gz KELAUJRBCYRWJS-UHFFFAOYSA-N 0 3 435.528 2.924 20 0 IFADHN COCCn1ccc2c1ncnc2N1CCC2(CC1)COCCN(Cc1ccncc1)C2 ZINC001164963825 722056738 /nfs/dbraw/zinc/05/67/38/722056738.db2.gz MQTGEFMNWFQKFK-UHFFFAOYSA-N 0 3 436.560 2.592 20 0 IFADHN CCOC(=O)c1nc2ccccc2c(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164985793 722103040 /nfs/dbraw/zinc/10/30/40/722103040.db2.gz WUEWLRBZNGPYNL-DENIHFKCSA-N 0 3 447.539 2.929 20 0 IFADHN CCOC(=O)c1cnc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)cc1OCC ZINC001164981476 722115915 /nfs/dbraw/zinc/11/59/15/722115915.db2.gz UCKBSKIFPCDAFJ-UGKGYDQZSA-N 0 3 440.544 2.779 20 0 IFADHN COc1nc(Cl)ncc1C(F)(F)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164978012 722136465 /nfs/dbraw/zinc/13/64/65/722136465.db2.gz JDEZYCHYBRFUTQ-NVXWUHKLSA-N 0 3 439.894 2.806 20 0 IFADHN COc1cc(C(F)(F)N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)nc(Cl)n1 ZINC001164971733 722156852 /nfs/dbraw/zinc/15/68/52/722156852.db2.gz FBAANJUNFDCDIL-CVEARBPZSA-N 0 3 439.894 2.806 20 0 IFADHN FC(F)(Oc1cnc(Cl)cn1)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164972131 722157036 /nfs/dbraw/zinc/15/70/36/722157036.db2.gz FUXZVVDIQIZPQL-CVEARBPZSA-N 0 3 425.867 2.677 20 0 IFADHN CS(=O)(=O)N1CC[C@@]2(c3ccccc3)CCN(c3ncccc3CN3CCCC3)C[C@@H]12 ZINC001164990324 722187386 /nfs/dbraw/zinc/18/73/86/722187386.db2.gz LPBXSYUZQABFLT-ISKFKSNPSA-N 0 3 440.613 2.859 20 0 IFADHN CCOC(=O)C1CCN(C2CCN(C(F)(F)c3nc(Cl)cc(N(C)C)n3)CC2)CC1 ZINC001164614627 719023349 /nfs/dbraw/zinc/02/33/49/719023349.db2.gz VRERTUWSCUBJBW-UHFFFAOYSA-N 0 3 445.942 2.985 20 0 IFADHN CCOC(=O)C1CC[NH+](C2CCN(c3[n-]c(Cl)nc4nc(C(=O)OC)cc3-4)CC2)CC1 ZINC001164617557 719028585 /nfs/dbraw/zinc/02/85/85/719028585.db2.gz OKYZMVCAEHIUGT-UHFFFAOYSA-N 0 3 449.939 2.642 20 0 IFADHN CCOC(=O)c1sc2nc(CN3CCOCC3)nc(N3C[C@H](C)N(C)C[C@H]3C)c2c1C ZINC001164637231 719238092 /nfs/dbraw/zinc/23/80/92/719238092.db2.gz UVXMYZZHIDSCFM-LSDHHAIUSA-N 0 3 447.605 2.537 20 0 IFADHN O=C(NCc1ccc(F)cc1)C1=NO[C@]2(CCN(c3ncccc3CN3CCCC3)C2)C1 ZINC001164653537 719322148 /nfs/dbraw/zinc/32/21/48/719322148.db2.gz NQQFZKUQMLCTIO-XMMPIXPASA-N 0 3 437.519 2.858 20 0 IFADHN CN(Cc1ccc(N2CC[C@@]3(CC(C(=O)NCc4ccc(F)cc4)=NO3)C2)nc1)C1CC1 ZINC001164654114 719322275 /nfs/dbraw/zinc/32/22/75/719322275.db2.gz OPUXSLSMZQEOOJ-XMMPIXPASA-N 0 3 437.519 2.857 20 0 IFADHN CCOC(=O)c1cnc2ccc(Cl)nc2c1N1CCC2(CCCN2CC(=O)NC)CC1 ZINC001164682551 719714832 /nfs/dbraw/zinc/71/48/32/719714832.db2.gz FPFKTFLURLQOBD-UHFFFAOYSA-N 0 3 445.951 2.641 20 0 IFADHN CNC(=O)CN1CCCC12CCN(c1ccc3ccn(C(=O)c4ccccc4)c3n1)CC2 ZINC001164686779 719735933 /nfs/dbraw/zinc/73/59/33/719735933.db2.gz SEWCEXVUJFFUGW-UHFFFAOYSA-N 0 3 431.540 2.906 20 0 IFADHN CNC(=O)CN1CCCC12CCN(c1c(Cl)nnc(Cl)c1N1CCCCC1)CC2 ZINC001164693136 719758179 /nfs/dbraw/zinc/75/81/79/719758179.db2.gz XHHXJGBKFZWIDL-UHFFFAOYSA-N 0 3 441.407 2.955 20 0 IFADHN COC[C@@H]1C[N@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)nc3[n-]c(C(=O)OC)cc31)C2 ZINC001164809940 720135585 /nfs/dbraw/zinc/13/55/85/720135585.db2.gz IUOUSHIEDZZYPD-QKKBWIMNSA-N 0 3 433.940 2.583 20 0 IFADHN COC[C@@H]1C[N@@H+](CC2CC2)C[C@]12CCN(c1nc(Cl)nc3[n-]c(C(=O)OC)cc31)C2 ZINC001164809940 720135589 /nfs/dbraw/zinc/13/55/89/720135589.db2.gz IUOUSHIEDZZYPD-QKKBWIMNSA-N 0 3 433.940 2.583 20 0 IFADHN COC(=O)c1cc2c(nc(Cl)nc2N2CC[C@H]3[C@@H]2CCN3Cc2cccnc2)n1C ZINC001164731512 720427580 /nfs/dbraw/zinc/42/75/80/720427580.db2.gz LITDLMFUPVULHS-HOTGVXAUSA-N 0 3 426.908 2.657 20 0 IFADHN CCOC(=O)[C@@H]1CCCN(c2ccc(N3CC[C@@H]4[C@H]3CCN4Cc3cccnc3)nn2)C1 ZINC001164727954 720444278 /nfs/dbraw/zinc/44/42/78/720444278.db2.gz FJXKNGOBCKBHKH-NJDAHSKKSA-N 0 3 436.560 2.504 20 0 IFADHN c1ccc(CN2CCc3nc(N4CCN5C[C@H](Oc6cncnc6)C[C@H]5C4)ccc3C2)cc1 ZINC001164736731 720666296 /nfs/dbraw/zinc/66/62/96/720666296.db2.gz AUGTZTLOVPLYCV-XZOQPEGZSA-N 0 3 442.567 2.772 20 0 IFADHN Cc1ccc(-c2nc3c(ncnc3N3CCN4C[C@@H](Oc5cncnc5)C[C@H]4C3)o2)cc1 ZINC001164747004 720769290 /nfs/dbraw/zinc/76/92/90/720769290.db2.gz ZQMPSCYAZCJMGK-ROUUACIJSA-N 0 3 429.484 2.725 20 0 IFADHN O=C(OCc1ccccc1)c1ccc(N2CCN3C[C@@H](Oc4cncnc4)C[C@H]3C2)nc1 ZINC001164744056 720774764 /nfs/dbraw/zinc/77/47/64/720774764.db2.gz QXGKQANVOIJGNH-SFTDATJTSA-N 0 3 431.496 2.571 20 0 IFADHN CCOC(=O)c1cc2ccc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nc2[n-]1 ZINC001164744710 720839015 /nfs/dbraw/zinc/83/90/15/720839015.db2.gz LHFNOVIVWXKUHT-QKNQBKEWSA-N 0 3 449.559 2.711 20 0 IFADHN CCOC(=O)c1cc2ccc(N3CC[C@@H]4[C@@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)nc2[n-]1 ZINC001164744710 720839016 /nfs/dbraw/zinc/83/90/16/720839016.db2.gz LHFNOVIVWXKUHT-QKNQBKEWSA-N 0 3 449.559 2.711 20 0 IFADHN CN(Cc1ccccn1)C(=O)[C@@H]1C[C@H]2OCC[C@H]2N(c2ncccc2CN2CCCC2)C1 ZINC001164758025 721017205 /nfs/dbraw/zinc/01/72/05/721017205.db2.gz HNBWEHPJLOHYCV-YMPZKCBVSA-N 0 3 435.572 2.715 20 0 IFADHN CN(Cc1ccccn1)C(=O)[C@@H]1C[C@H]2OCC[C@@H]2N(c2ncccc2CN2CCCC2)C1 ZINC001164758019 721017458 /nfs/dbraw/zinc/01/74/58/721017458.db2.gz HNBWEHPJLOHYCV-AKIFATBCSA-N 0 3 435.572 2.715 20 0 IFADHN O=C(NCc1ccccn1)[C@@H]1CCO[C@H]2CCN(c3ccc(CN4CCCC4)cn3)C[C@@H]12 ZINC001164760937 721021849 /nfs/dbraw/zinc/02/18/49/721021849.db2.gz REHATIIEPLCNBP-VJBWXMMDSA-N 0 3 435.572 2.620 20 0 IFADHN O=C(NCc1ccccc1)c1cccnc1N1CCN2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164868153 721054701 /nfs/dbraw/zinc/05/47/01/721054701.db2.gz NDUCHYMPJHXNIP-PKTZIBPZSA-N 0 3 443.551 2.886 20 0 IFADHN CCOC(=O)c1cnc(N2CCN3C[C@@H](OCc4cccnc4)C[C@H]3C2)cc1OCC ZINC001164866667 721085051 /nfs/dbraw/zinc/08/50/51/721085051.db2.gz UQEWUENZAJKDGD-OALUTQOASA-N 0 3 426.517 2.532 20 0 IFADHN Cn1cc(CN2CC[C@H]3CN(c4ncnc5c4CN(Cc4ccccc4)CC5)C[C@@H]3C2)cn1 ZINC001164761509 721087756 /nfs/dbraw/zinc/08/77/56/721087756.db2.gz BLOMKRMPYYNZOE-GOTSBHOMSA-N 0 3 443.599 2.727 20 0 IFADHN CCOC(=O)c1ccc2ncnc(N3CCN4C[C@H](OCc5cccnc5)C[C@@H]4C3)c2c1 ZINC001164864510 721089183 /nfs/dbraw/zinc/08/91/83/721089183.db2.gz GCYZVMHBVLRCBZ-WOJBJXKFSA-N 0 3 433.512 2.681 20 0 IFADHN COc1cc2nc(Cl)nc(N3C[C@@H]4CCN(Cc5cnn(C)c5)C[C@H]4C3)c2cc1OC ZINC001164771395 721109126 /nfs/dbraw/zinc/10/91/26/721109126.db2.gz SNQPUKCBPBZMEI-HOTGVXAUSA-N 0 3 442.951 2.992 20 0 IFADHN CCOC(=O)c1cc2ncnc(N3CCN4C[C@H](OCc5cccnc5)C[C@@H]4C3)c2s1 ZINC001164864848 721113315 /nfs/dbraw/zinc/11/33/15/721113315.db2.gz GVVVXOWGVIRTBK-IAGOWNOFSA-N 0 3 439.541 2.743 20 0 IFADHN CC1CCN(C(=O)c2cccnc2N2CCN3C[C@@H](OCc4cccnc4)C[C@H]3C2)CC1 ZINC001164873641 721142601 /nfs/dbraw/zinc/14/26/01/721142601.db2.gz JOQCVPHASQDRCA-VXKWHMMOSA-N 0 3 435.572 2.828 20 0 IFADHN CCOC(=O)c1cc2ncnc(N3C[C@H]4CN(Cc5cnn(C)c5)CC[C@@H]4C3)c2s1 ZINC001164769424 721166640 /nfs/dbraw/zinc/16/66/40/721166640.db2.gz MHUHMUPZKUFGBV-HZPDHXFCSA-N 0 3 426.546 2.560 20 0 IFADHN Cc1cc(N2CCN3C[C@@H](OCc4cccnc4)C[C@H]3C2)nc(NC(=O)c2ccccc2)n1 ZINC001164878464 721173019 /nfs/dbraw/zinc/17/30/19/721173019.db2.gz QDTJEJVKPURURF-VXKWHMMOSA-N 0 3 444.539 2.912 20 0 IFADHN Cn1cc(CN2CC[C@H]3CN(c4ccc(-c5ccc6c(c5)OCCCO6)nn4)C[C@@H]3C2)cn1 ZINC001164764947 721215273 /nfs/dbraw/zinc/21/52/73/721215273.db2.gz HHEBUCSYFJRDML-SFTDATJTSA-N 0 3 446.555 2.997 20 0 IFADHN c1cnc(N2CCC(c3nc4ccc(N5CCOCC5)cn4n3)CC2)c(CN2CCCC2)c1 ZINC001164884620 721361749 /nfs/dbraw/zinc/36/17/49/721361749.db2.gz VVZZCDASPQXWOD-UHFFFAOYSA-N 0 3 447.587 2.941 20 0 IFADHN CCOC(=O)c1cc2ccnc(N3CC[C@@]4(C3)CCC[C@@H](CN3CCN(C)CC3)O4)c2[nH]1 ZINC001164889455 721404268 /nfs/dbraw/zinc/40/42/68/721404268.db2.gz QQEGXFVMWKGJDJ-YADARESESA-N 0 3 441.576 2.505 20 0 IFADHN CN1CCN(C[C@@H]2CCC[C@@]3(CCN(C(F)(F)c4cc(Cl)nc(=S)[nH]4)C3)O2)CC1 ZINC001164894312 721427819 /nfs/dbraw/zinc/42/78/19/721427819.db2.gz LLSUVIQCQMZAPI-KSSFIOAISA-N 0 3 447.983 2.729 20 0 IFADHN COC(=O)c1ccc2cc(N3CC[C@]4(C3)CCC[C@@H](CN3CCN(C)CC3)O4)ncc2c1 ZINC001164898714 721430695 /nfs/dbraw/zinc/43/06/95/721430695.db2.gz WRKYPURPLLQMHL-DHLKQENFSA-N 0 3 438.572 2.787 20 0 IFADHN COC(=O)c1ccc2cc(N3CC[C@@]4(C3)CCC[C@H](CN3CCN(C)CC3)O4)ncc2c1 ZINC001164898715 721431009 /nfs/dbraw/zinc/43/10/09/721431009.db2.gz WRKYPURPLLQMHL-RCZVLFRGSA-N 0 3 438.572 2.787 20 0 IFADHN CCOC(=O)Cc1nc(Cl)cc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164909751 721529545 /nfs/dbraw/zinc/52/95/45/721529545.db2.gz RSTZWZFTFFLPIG-NVXWUHKLSA-N 0 3 434.899 2.717 20 0 IFADHN CCCNC(=O)c1cc(Cl)nc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164909259 721567539 /nfs/dbraw/zinc/56/75/39/721567539.db2.gz UBVWPOUNGXALSD-WBVHZDCISA-N 0 3 433.915 2.751 20 0 IFADHN Cc1nc(CN2CCOC[C@]3(CN(c4ccc(CN5CCCC5)cn4)CCO3)C2)cs1 ZINC001164923005 721831930 /nfs/dbraw/zinc/83/19/30/721831930.db2.gz QFIPUGQJIFXHLR-HSZRJFAPSA-N 0 3 443.617 2.550 20 0 IFADHN COc1cnc(N2CCC3(CC2)COCCN(Cc2ccncc2)C3)nc1NC(C)C ZINC001164961190 722051527 /nfs/dbraw/zinc/05/15/27/722051527.db2.gz UVZOFFKRECPPLI-UHFFFAOYSA-N 0 3 426.565 2.820 20 0 IFADHN O=C(c1cccnc1N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1)N1CCCCC1 ZINC001164983398 722102065 /nfs/dbraw/zinc/10/20/65/722102065.db2.gz PXIHCQVXRFVDKN-FYYLOGMGSA-N 0 3 435.572 2.830 20 0 IFADHN COC(=O)c1c(Cl)cnc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c1OC ZINC001164974243 722135415 /nfs/dbraw/zinc/13/54/15/722135415.db2.gz CQVFWYWGAGHQAM-SJLPKXTDSA-N 0 3 446.935 2.653 20 0 IFADHN FC(F)(COc1cncc(Cl)n1)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164976066 722143810 /nfs/dbraw/zinc/14/38/10/722143810.db2.gz GXZFTFZNUFBKAO-SJORKVTESA-N 0 3 439.894 2.720 20 0 IFADHN COc1cc(C(F)(F)N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)nc(Cl)n1 ZINC001164971735 722157260 /nfs/dbraw/zinc/15/72/60/722157260.db2.gz FBAANJUNFDCDIL-HZPDHXFCSA-N 0 3 439.894 2.806 20 0 IFADHN CN1CCN(c2ncnc3c2CCN(c2nc(N4CCCC4)cc4ccccc42)CC3)CC1 ZINC001165002679 722238201 /nfs/dbraw/zinc/23/82/01/722238201.db2.gz XFGAHANKTBRSFK-UHFFFAOYSA-N 0 3 443.599 2.982 20 0 IFADHN C[C@@H]1CCc2c(sc3nc(CN4CCCC4)nc(N4CC[C@H]5NCCO[C@@H]5C4)c23)C1 ZINC001164389712 718824377 /nfs/dbraw/zinc/82/43/77/718824377.db2.gz JKNBRPBAASLVDY-KBAYOESNSA-N 0 3 427.618 2.979 20 0 IFADHN O=C1NCCN(C(F)(F)c2cc(-c3ccccc3C(F)(F)F)nnc2Cl)C12CNC2 ZINC001164414636 718879423 /nfs/dbraw/zinc/87/94/23/718879423.db2.gz VOIWJWPCFQPDIG-UHFFFAOYSA-N 0 3 447.795 2.639 20 0 IFADHN CN1CCN(c2cccc(N3CCC4(CC3)COCCN4Cc3ccc(F)cc3)n2)CC1 ZINC001164670135 719515697 /nfs/dbraw/zinc/51/56/97/719515697.db2.gz BJXPNWCBMOLOSI-UHFFFAOYSA-N 0 3 439.579 2.844 20 0 IFADHN Fc1ccc(CN2CCOCC23CCN(c2cccc(N4CCOCC4)n2)CC3)cc1 ZINC001164674099 719516369 /nfs/dbraw/zinc/51/63/69/719516369.db2.gz ZSHRLZIEPSUMAJ-UHFFFAOYSA-N 0 3 426.536 2.929 20 0 IFADHN CCOC(=O)c1cnc(C(F)(F)n2nc(CN(C)C(C)C)c3c2CNCC3)nc1Cl ZINC001164682713 719604472 /nfs/dbraw/zinc/60/44/72/719604472.db2.gz FMUBFRWJEMYKHL-UHFFFAOYSA-N 0 3 442.898 2.587 20 0 IFADHN CCOC(=O)c1cnc(-c2cccs2)nc1N1CCC2(CCCN2CC(=O)NC)CC1 ZINC001164683847 719712447 /nfs/dbraw/zinc/71/24/47/719712447.db2.gz LBZZBCHXDRCVDW-UHFFFAOYSA-N 0 3 443.573 2.563 20 0 IFADHN Cc1nc(CN2CCCC23CCN(c2ncccc2C(=O)N2CCNCC2)CC3)cs1 ZINC001164692178 719811517 /nfs/dbraw/zinc/81/15/17/719811517.db2.gz MZIWDAOMERMHHY-UHFFFAOYSA-N 0 3 440.617 2.527 20 0 IFADHN CC(=O)Oc1cc2ncnc(N3CC[C@H]4[C@@H]3CCN4Cc3cccnc3)c2cc1OC(C)=O ZINC001164735068 720414389 /nfs/dbraw/zinc/41/43/89/720414389.db2.gz VMURWDDWAVMUSN-SFTDATJTSA-N 0 3 447.495 2.729 20 0 IFADHN Fc1cccc(Cn2ccc3c2ncnc3N2CCN3C[C@@H](Oc4cncnc4)C[C@H]3C2)c1 ZINC001164737570 720709671 /nfs/dbraw/zinc/70/96/71/720709671.db2.gz GGDIYUSUKDZOPF-PMACEKPBSA-N 0 3 445.502 2.751 20 0 IFADHN Fc1cccc(Cn2ccc3c2ncnc3N2CCN3C[C@@H](Oc4cncnc4)C[C@@H]3C2)c1 ZINC001164737571 720710735 /nfs/dbraw/zinc/71/07/35/720710735.db2.gz GGDIYUSUKDZOPF-UXHICEINSA-N 0 3 445.502 2.751 20 0 IFADHN O=C(c1ccccc1)n1ccc2ccc(N3CCN4C[C@H](Oc5cncnc5)C[C@H]4C3)nc21 ZINC001164743968 720747648 /nfs/dbraw/zinc/74/76/48/720747648.db2.gz QSGQNRUTAQKBLD-LEWJYISDSA-N 0 3 440.507 2.857 20 0 IFADHN O=C(OCc1ccccc1)c1ccc(N2CCN3C[C@H](Oc4cncnc4)C[C@H]3C2)nc1 ZINC001164744045 720774555 /nfs/dbraw/zinc/77/45/55/720774555.db2.gz QXGKQANVOIJGNH-LEWJYISDSA-N 0 3 431.496 2.571 20 0 IFADHN O=C(NCc1ccccn1)[C@@H]1CCO[C@@H]2CCN(c3ncccc3CN3CCCC3)C[C@@H]21 ZINC001164758002 721023802 /nfs/dbraw/zinc/02/38/02/721023802.db2.gz HLULYRRMUWVDCD-DNVJHFABSA-N 0 3 435.572 2.620 20 0 IFADHN CCOC(=O)c1sc2ncnc(N3C[C@@H]4CCN(Cc5cnn(C)c5)C[C@@H]4C3)c2c1C ZINC001164768503 721073474 /nfs/dbraw/zinc/07/34/74/721073474.db2.gz NMSPGLHFRWCKCK-DLBZAZTESA-N 0 3 440.573 2.868 20 0 IFADHN COc1cc2nc(Cl)nc(N3C[C@@H]4CCN(Cc5cnn(C)c5)C[C@@H]4C3)c2cc1OC ZINC001164771397 721108214 /nfs/dbraw/zinc/10/82/14/721108214.db2.gz SNQPUKCBPBZMEI-JKSUJKDBSA-N 0 3 442.951 2.992 20 0 IFADHN Cc1cc(NC(=O)c2cccnc2N2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)no1 ZINC001164875517 721138080 /nfs/dbraw/zinc/13/80/80/721138080.db2.gz LRXBHPRUYABFAC-RBUKOAKNSA-N 0 3 434.500 2.505 20 0 IFADHN Cc1cc(NC(=O)c2cccnc2N2CCN3C[C@@H](OCc4cccnc4)C[C@H]3C2)no1 ZINC001164875516 721139105 /nfs/dbraw/zinc/13/91/05/721139105.db2.gz LRXBHPRUYABFAC-OALUTQOASA-N 0 3 434.500 2.505 20 0 IFADHN C[C@@H]1CCCN(C(=O)c2ccc(N3CCN4C[C@@H](OCc5cccnc5)C[C@@H]4C3)nc2)C1 ZINC001164880976 721140578 /nfs/dbraw/zinc/14/05/78/721140578.db2.gz YMLSUBKEQVDMNU-PTUXOGIPSA-N 0 3 435.572 2.828 20 0 IFADHN Cn1cc(CN2CC[C@H]3CN(c4cc(C(=O)NC(C)(C)C)cc(Cl)n4)C[C@@H]3C2)cn1 ZINC001164761701 721151522 /nfs/dbraw/zinc/15/15/22/721151522.db2.gz AKONXJLPDYOCNM-WMZOPIPTSA-N 0 3 430.984 2.955 20 0 IFADHN CCOC(=O)c1cc2ncnc(N3C[C@@H]4CCN(Cc5cnn(C)c5)C[C@@H]4C3)c2s1 ZINC001164769427 721167497 /nfs/dbraw/zinc/16/74/97/721167497.db2.gz MHUHMUPZKUFGBV-JKSUJKDBSA-N 0 3 426.546 2.560 20 0 IFADHN Cn1cc(CN2CC[C@@H]3CN(c4ccc(-c5ccc6c(c5)OCCCO6)nn4)C[C@@H]3C2)cn1 ZINC001164764945 721216121 /nfs/dbraw/zinc/21/61/21/721216121.db2.gz HHEBUCSYFJRDML-RTWAWAEBSA-N 0 3 446.555 2.997 20 0 IFADHN CCOC(=O)c1cc2ccnc(N3CC[C@@]4(C3)CCC[C@H](CN3CCN(C)CC3)O4)c2[nH]1 ZINC001164889454 721403774 /nfs/dbraw/zinc/40/37/74/721403774.db2.gz QQEGXFVMWKGJDJ-NTKDMRAZSA-N 0 3 441.576 2.505 20 0 IFADHN CON(C)C(=O)c1cc(Cl)nc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c1 ZINC001164911487 721536966 /nfs/dbraw/zinc/53/69/66/721536966.db2.gz WVNQAFFWEAGANS-FUHWJXTLSA-N 0 3 434.899 2.849 20 0 IFADHN CCOC(=O)c1nc2ccn(C)c2c(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164912019 721548456 /nfs/dbraw/zinc/54/84/56/721548456.db2.gz YDGYEFDDQBZXAV-FUHWJXTLSA-N 0 3 439.491 2.626 20 0 IFADHN COc1cccc(CN2C[C@H]3CCN(c4cc(CN(C)C)ccn4)CC[C@@H]3S2(=O)=O)c1 ZINC001164806810 721592840 /nfs/dbraw/zinc/59/28/40/721592840.db2.gz NALYNIDFUBZFDV-IRLDBZIGSA-N 0 3 444.601 2.582 20 0 IFADHN Cc1cccc(CN2CCO[C@@H]3CN(c4ccc(CN(C)C5CC5)cn4)CC[C@H]3C2=O)n1 ZINC001164802696 721603005 /nfs/dbraw/zinc/60/30/05/721603005.db2.gz SUVSDEHKOJKPOI-DHIUTWEWSA-N 0 3 435.572 2.633 20 0 IFADHN COC(=O)c1c[nH]c2ncnc(N3CCc4c(CN(C)Cc5ccco5)cncc4C3)c12 ZINC001164910086 721756851 /nfs/dbraw/zinc/75/68/51/721756851.db2.gz LQOPHXQSRLLWRG-UHFFFAOYSA-N 0 3 432.484 2.927 20 0 IFADHN Cc1nc(CN2CCOC[C@@]3(CN(c4ccc(CN5CCCC5)cn4)CCO3)C2)cs1 ZINC001164923006 721831890 /nfs/dbraw/zinc/83/18/90/721831890.db2.gz QFIPUGQJIFXHLR-QHCPKHFHSA-N 0 3 443.617 2.550 20 0 IFADHN O=C(c1cccnc1N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1)N1CCCCC1 ZINC001164983399 722102292 /nfs/dbraw/zinc/10/22/92/722102292.db2.gz PXIHCQVXRFVDKN-GGAORHGYSA-N 0 3 435.572 2.830 20 0 IFADHN CCOC(=O)c1nc2ccccc2c(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164985796 722102984 /nfs/dbraw/zinc/10/29/84/722102984.db2.gz WUEWLRBZNGPYNL-SIKLNZKXSA-N 0 3 447.539 2.929 20 0 IFADHN COC(=O)c1ccc2c(c1)ncnc2N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164975443 722104173 /nfs/dbraw/zinc/10/41/73/722104173.db2.gz BQEQBNFRHRGDKH-SIKLNZKXSA-N 0 3 433.512 2.539 20 0 IFADHN c1cncc(CN2CCO[C@H]3CN(c4ncnc5cc6c(cc54)OCCO6)CC[C@@H]3C2)c1 ZINC001164974707 722105293 /nfs/dbraw/zinc/10/52/93/722105293.db2.gz BLSDNKYVYNGQMQ-JPYJTQIMSA-N 0 3 433.512 2.523 20 0 IFADHN c1cncc(CN2CCO[C@@H]3CN(c4ncnc5cc6c(cc54)OCCO6)CC[C@H]3C2)c1 ZINC001164974704 722105384 /nfs/dbraw/zinc/10/53/84/722105384.db2.gz BLSDNKYVYNGQMQ-FDDCHVKYSA-N 0 3 433.512 2.523 20 0 IFADHN CCOC(=O)c1cc2ccc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)[nH]c-2n1 ZINC001164983365 722130447 /nfs/dbraw/zinc/13/04/47/722130447.db2.gz UQZAFJLUSCOLBN-FPOVZHCZSA-N 0 3 435.528 2.862 20 0 IFADHN COC(=O)/C=C\c1cc2cc[nH]c2c(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164972843 722134024 /nfs/dbraw/zinc/13/40/24/722134024.db2.gz AXRNLMWSLXOKEI-KEUSYYRJSA-N 0 3 447.539 2.871 20 0 IFADHN Cc1cc(NC(=O)c2cccnc2N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)no1 ZINC001164982651 722138961 /nfs/dbraw/zinc/13/89/61/722138961.db2.gz RVLUKPRZHUAMRZ-PZJWPPBQSA-N 0 3 448.527 2.753 20 0 IFADHN FC(F)(c1nc2[nH]cnc2c(Cl)n1)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164975086 722142480 /nfs/dbraw/zinc/14/24/80/722142480.db2.gz DVLCHMCKQZANRC-CABCVRRESA-N 0 3 449.893 2.625 20 0 IFADHN COC(=O)[C@H](C)c1c(Cl)ncnc1N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164976157 722157459 /nfs/dbraw/zinc/15/74/59/722157459.db2.gz UIURIVQCQAQPDX-KBAYOESNSA-N 0 3 445.951 2.529 20 0 IFADHN COc1ccc([C@@H]2[C@@H](C(=O)NCCN(C)C)CCC(=O)N2c2ccc(OC)cc2)cc1 ZINC000004563169 132272306 /nfs/dbraw/zinc/27/23/06/132272306.db2.gz SSKATIMLJVUIDA-JTHBVZDNSA-N 0 3 425.529 2.866 20 0 IFADHN C[C@@H]1CCc2c(sc3nc(CN4CCCC4)nc(N4CC[C@H]5NCCO[C@H]5C4)c23)C1 ZINC001164389717 718825015 /nfs/dbraw/zinc/82/50/15/718825015.db2.gz JKNBRPBAASLVDY-NXHRZFHOSA-N 0 3 427.618 2.979 20 0 IFADHN COC(=O)c1cc2ccc(N3C[C@@H](C)N(C)C[C@H]3C)nc2n1S(=O)(=O)c1ccccc1 ZINC001164639381 719211057 /nfs/dbraw/zinc/21/10/57/719211057.db2.gz PYVFBHFRJCIWGL-HZPDHXFCSA-N 0 3 442.541 2.589 20 0 IFADHN CCOC(=O)c1sc2nc(CN3CCOCC3)nc(N3C[C@H](C)N(C)C[C@@H]3C)c2c1C ZINC001164637229 719237535 /nfs/dbraw/zinc/23/75/35/719237535.db2.gz UVXMYZZHIDSCFM-GJZGRUSLSA-N 0 3 447.605 2.537 20 0 IFADHN O=C(NCc1ccc(F)cc1)C1=NO[C@@]2(CCN(c3ccc(CN4CCCC4)cn3)C2)C1 ZINC001164651039 719322361 /nfs/dbraw/zinc/32/23/61/719322361.db2.gz FKEZJPGQUKUVHU-DEOSSOPVSA-N 0 3 437.519 2.858 20 0 IFADHN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1cc3c(nn1)CCNC3)CC2 ZINC001164660557 719351934 /nfs/dbraw/zinc/35/19/34/719351934.db2.gz VGCVCSWYTAHCDJ-UHFFFAOYSA-N 0 3 429.572 2.817 20 0 IFADHN COC(=O)c1cc2c(ncnc2N2CCC3(CC2)COCCN3Cc2ccc(F)cc2)[nH]1 ZINC001164672166 719496413 /nfs/dbraw/zinc/49/64/13/719496413.db2.gz GKHOUBKASHZLMA-UHFFFAOYSA-N 0 3 439.491 2.707 20 0 IFADHN CC(=O)Oc1cc2ncnc(N3CC[C@@H]4[C@@H]3CCN4Cc3cccnc3)c2cc1OC(C)=O ZINC001164735067 720414778 /nfs/dbraw/zinc/41/47/78/720414778.db2.gz VMURWDDWAVMUSN-RTWAWAEBSA-N 0 3 447.495 2.729 20 0 IFADHN CC(C)N(C)Cc1cnc2n1CCN(c1cc(-c3cc4c([nH]3)CCNC4=O)ccn1)[C@H]2C ZINC001164861197 720956604 /nfs/dbraw/zinc/95/66/04/720956604.db2.gz SDBXAKNVULRWMU-INIZCTEOSA-N 0 3 433.560 2.981 20 0 IFADHN CCOC(=O)c1cnc(N2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)cc1OCC ZINC001164866668 721084184 /nfs/dbraw/zinc/08/41/84/721084184.db2.gz UQEWUENZAJKDGD-RBUKOAKNSA-N 0 3 426.517 2.532 20 0 IFADHN CCOC(=O)c1cnc(N2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)cc1OCC ZINC001164866666 721084630 /nfs/dbraw/zinc/08/46/30/721084630.db2.gz UQEWUENZAJKDGD-MOPGFXCFSA-N 0 3 426.517 2.532 20 0 IFADHN C[C@@H]1CCCN(C(=O)c2ccc(N3CCN4C[C@H](OCc5cccnc5)C[C@@H]4C3)nc2)C1 ZINC001164880977 721139440 /nfs/dbraw/zinc/13/94/40/721139440.db2.gz YMLSUBKEQVDMNU-UEVCKROQSA-N 0 3 435.572 2.828 20 0 IFADHN c1cncc(CO[C@H]2C[C@@H]3CN(c4ccc(-c5ccc6c(c5)OCCO6)nn4)CCN3C2)c1 ZINC001164880432 721146495 /nfs/dbraw/zinc/14/64/95/721146495.db2.gz WOJKBFWDWFRONL-RTWAWAEBSA-N 0 3 445.523 2.790 20 0 IFADHN Cn1cc(CN2CC[C@H]3CN(c4ncnc5c4ncn5Cc4ccccc4F)C[C@@H]3C2)cn1 ZINC001164773963 721157686 /nfs/dbraw/zinc/15/76/86/721157686.db2.gz ZOCVQJHBYCKWSP-ICSRJNTNSA-N 0 3 446.534 2.706 20 0 IFADHN Clc1nc2c(Cl)ncnc2c(N2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164880988 721171372 /nfs/dbraw/zinc/17/13/72/721171372.db2.gz YQKZIQLQHXJFQW-KGLIPLIRSA-N 0 3 432.315 2.601 20 0 IFADHN Clc1nc2c(Cl)ncnc2c(N2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164880989 721172061 /nfs/dbraw/zinc/17/20/61/721172061.db2.gz YQKZIQLQHXJFQW-UONOGXRCSA-N 0 3 432.315 2.601 20 0 IFADHN COC(=O)c1cc2c(N3C[C@@H]4CCN(Cc5cnn(C)c5)C[C@H]4C3)[nH]c(Cl)cc-2n1 ZINC001164773839 721172504 /nfs/dbraw/zinc/17/25/04/721172504.db2.gz XJNRYKLHXJXFNP-GJZGRUSLSA-N 0 3 428.924 2.695 20 0 IFADHN c1nc2c(ncnc2N2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)n1-c1ccccc1 ZINC001164880676 721172871 /nfs/dbraw/zinc/17/28/71/721172871.db2.gz WVOSUIJZFZPYSH-RTWAWAEBSA-N 0 3 427.512 2.690 20 0 IFADHN Cc1cc(N2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)nc(NC(=O)c2ccccc2)n1 ZINC001164878448 721173327 /nfs/dbraw/zinc/17/33/27/721173327.db2.gz QDTJEJVKPURURF-FGZHOGPDSA-N 0 3 444.539 2.912 20 0 IFADHN COC(=O)c1nc(N2C[C@H]3CN(Cc4cnn(C)c4)CC[C@@H]3C2)c2ccccc2c1OC ZINC001164773367 721224104 /nfs/dbraw/zinc/22/41/04/721224104.db2.gz WSMWXUIEUFYABT-QZTJIDSGSA-N 0 3 435.528 2.722 20 0 IFADHN CCN(C)c1cc(C)nc(N2CCC[C@@]3(C2)COCCN(Cc2c(C)noc2C)C3)n1 ZINC001164776521 721330908 /nfs/dbraw/zinc/33/09/08/721330908.db2.gz FZQGFVQLAIVROR-HSZRJFAPSA-N 0 3 428.581 2.965 20 0 IFADHN CCOC(=O)c1c(C)cc(N2CC[C@]3(C2)CCC[C@H](CN2CCN(C)CC2)O3)nc1C ZINC001164884665 721419969 /nfs/dbraw/zinc/41/99/69/721419969.db2.gz FHAFHYJUVHTKHN-YKSBVNFPSA-N 0 3 430.593 2.641 20 0 IFADHN O=C(C[C@@H]1COC[C@@H]2CN(c3ncccc3CN3CCCC3)C[C@H]21)N1CCC(F)CC1 ZINC001164895691 721479718 /nfs/dbraw/zinc/47/97/18/721479718.db2.gz MQFGDBYZQGDGJQ-URVUXULASA-N 0 3 430.568 2.727 20 0 IFADHN CCOC(=O)Cc1nc(Cl)cc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164909754 721529340 /nfs/dbraw/zinc/52/93/40/721529340.db2.gz RSTZWZFTFFLPIG-RDJZCZTQSA-N 0 3 434.899 2.717 20 0 IFADHN CCOC(=O)Cc1c(Cl)ncnc1N1CCN2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164902609 721535667 /nfs/dbraw/zinc/53/56/67/721535667.db2.gz AMXRLGWASYSIMA-DOTOQJQBSA-N 0 3 434.899 2.717 20 0 IFADHN CC(C)N1Cc2c(nc(Cl)nc2N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)C1=O ZINC001164903365 721550442 /nfs/dbraw/zinc/55/04/42/721550442.db2.gz CFIZDYQRXXZUCY-RDJZCZTQSA-N 0 3 445.926 2.975 20 0 IFADHN CCOC(=O)[C@@H]1CCc2nnc(N3CCN4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)cc2C1 ZINC001164905883 721567614 /nfs/dbraw/zinc/56/76/14/721567614.db2.gz HQTLTCHXMUKKRX-LKUPVBHCSA-N 0 3 440.519 2.626 20 0 IFADHN O=C(NCCc1ccncc1)[C@@H]1CCO[C@@H]2CCN(c3ccc(CN4CCCC4)cn3)C[C@H]21 ZINC001165013508 721753802 /nfs/dbraw/zinc/75/38/02/721753802.db2.gz MZQKYKFYPHKYJV-TZRRMPRUSA-N 0 3 449.599 2.663 20 0 IFADHN COc1cccc(OC)c1CN1CCC(N(C)c2nc(Cl)nc3c2CCNC3)CC1 ZINC001165019349 721839095 /nfs/dbraw/zinc/83/90/95/721839095.db2.gz DYNSDYDEKCTWME-UHFFFAOYSA-N 0 3 431.968 2.894 20 0 IFADHN COC(=O)c1cc2c([n-]1)nc[nH+]c2N1CCC2(CC1)CN(Cc1ccc(C)cc1)CCO2 ZINC001164938929 721921770 /nfs/dbraw/zinc/92/17/70/721921770.db2.gz CDIZFKITTHWWAG-UHFFFAOYSA-N 0 3 435.528 2.876 20 0 IFADHN COC(=O)c1ccc2c(c1)ncnc2N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164975446 722104430 /nfs/dbraw/zinc/10/44/30/722104430.db2.gz BQEQBNFRHRGDKH-UGKGYDQZSA-N 0 3 433.512 2.539 20 0 IFADHN CC(C)(C)OC(=O)Nc1cc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)ncn1 ZINC001164985286 722105779 /nfs/dbraw/zinc/10/57/79/722105779.db2.gz WEUUNYNYBUKNLN-RTBURBONSA-N 0 3 440.548 2.946 20 0 IFADHN COc1cc2ncc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)nc2cc1OC ZINC001164980504 722113841 /nfs/dbraw/zinc/11/38/41/722113841.db2.gz RMMDKQCILFSYTG-FDDCHVKYSA-N 0 3 435.528 2.769 20 0 IFADHN COc1cc2ncnc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)c2c(OC)c1 ZINC001164981912 722123930 /nfs/dbraw/zinc/12/39/30/722123930.db2.gz VKEULJJYHKBDDS-XMSQKQJNSA-N 0 3 435.528 2.769 20 0 IFADHN COc1nc(Cl)ncc1C(F)(F)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164978014 722136738 /nfs/dbraw/zinc/13/67/38/722136738.db2.gz JDEZYCHYBRFUTQ-RDJZCZTQSA-N 0 3 439.894 2.806 20 0 IFADHN FC(F)(COc1ccc(Cl)nn1)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164979605 722140935 /nfs/dbraw/zinc/14/09/35/722140935.db2.gz LNNIUMYMOFEAQR-IAGOWNOFSA-N 0 3 439.894 2.720 20 0 IFADHN FC(F)(c1nc(Cl)nc2[nH]cnc21)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164979746 722142327 /nfs/dbraw/zinc/14/23/27/722142327.db2.gz MCESPICWVGWFSD-HUUCEWRRSA-N 0 3 449.893 2.625 20 0 IFADHN COc1nnc(Cl)cc1C(F)(F)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164975439 722156618 /nfs/dbraw/zinc/15/66/18/722156618.db2.gz SVSXGMJFKRQJGL-DOTOQJQBSA-N 0 3 439.894 2.806 20 0 IFADHN CS(=O)(=O)N1CC[C@]2(c3ccccc3)CCN(c3ccc(CN4CCCC4)cn3)C[C@@H]12 ZINC001164991950 722187292 /nfs/dbraw/zinc/18/72/92/722187292.db2.gz RCTNDWAVFWTXSK-VWNXMTODSA-N 0 3 440.613 2.859 20 0 IFADHN CS(=O)(=O)N1CC[C@@]2(c3ccccc3)CCN(c3ncccc3CN3CCCC3)C[C@H]12 ZINC001164990325 722187347 /nfs/dbraw/zinc/18/73/47/722187347.db2.gz LPBXSYUZQABFLT-LADGPHEKSA-N 0 3 440.613 2.859 20 0 IFADHN O=C(NCc1ccncc1)C1=NO[C@]2(C1)CCCN(c1ncccc1CN1CCCC1)C2 ZINC001164996889 722219040 /nfs/dbraw/zinc/21/90/40/722219040.db2.gz BVXNAGIPOJJUHX-DEOSSOPVSA-N 0 3 434.544 2.504 20 0 IFADHN COc1ccc([C@@H]2[C@H](C(=O)NCCN(C)C)CCC(=O)N2c2ccc(OC)cc2)cc1 ZINC000004563167 132272324 /nfs/dbraw/zinc/27/23/24/132272324.db2.gz SSKATIMLJVUIDA-FYYLOGMGSA-N 0 3 425.529 2.866 20 0 IFADHN O=C(OCc1ccccc1)c1cnc(Cl)nc1C(F)(F)N1CC[C@H]2NCCO[C@H]2C1 ZINC001164390954 718820953 /nfs/dbraw/zinc/82/09/53/718820953.db2.gz RYKQRZWCXQCUIX-CVEARBPZSA-N 0 3 438.862 2.599 20 0 IFADHN O=C(OCc1ccccc1)c1cnc(Cl)nc1C(F)(F)N1CC[C@@H]2NCCO[C@@H]2C1 ZINC001164390965 718821071 /nfs/dbraw/zinc/82/10/71/718821071.db2.gz RYKQRZWCXQCUIX-JKSUJKDBSA-N 0 3 438.862 2.599 20 0 IFADHN COC(=O)c1cc2ccc(N3C[C@@H](C)N(C)C[C@@H]3C)nc2n1S(=O)(=O)c1ccccc1 ZINC001164639372 719210944 /nfs/dbraw/zinc/21/09/44/719210944.db2.gz PYVFBHFRJCIWGL-CVEARBPZSA-N 0 3 442.541 2.589 20 0 IFADHN CC1CCN(Cc2nc3sc4c(c3c(N3C[C@@H]5[C@H](C3)OCCN5C)n2)CCC4)CC1 ZINC001164665921 719443783 /nfs/dbraw/zinc/44/37/83/719443783.db2.gz ABDSHFKASFTGAM-MSOLQXFVSA-N 0 3 427.618 2.931 20 0 IFADHN CC(C)N1[C@H](Cn2cccn2)C[C@H]2CN(c3nc(Cl)ccc3S(C)(=O)=O)CC[C@@H]21 ZINC001164844103 720592800 /nfs/dbraw/zinc/59/28/00/720592800.db2.gz YPTQZQZJOJCJHG-ULQDDVLXSA-N 0 3 437.997 2.713 20 0 IFADHN c1ccc(CN2CCc3nc(N4CCN5C[C@@H](Oc6cncnc6)C[C@H]5C4)ccc3C2)cc1 ZINC001164736727 720664522 /nfs/dbraw/zinc/66/45/22/720664522.db2.gz AUGTZTLOVPLYCV-GOTSBHOMSA-N 0 3 442.567 2.772 20 0 IFADHN CCOc1cc2ncnc(N3CCN4C[C@H](Oc5cncnc5)C[C@H]4C3)c2cc1OCC ZINC001164740147 720697014 /nfs/dbraw/zinc/69/70/14/720697014.db2.gz QKPAYXRIILNCSS-DLBZAZTESA-N 0 3 436.516 2.559 20 0 IFADHN CCOc1cc2ncnc(N3CCN4C[C@@H](Oc5cncnc5)C[C@@H]4C3)c2cc1OCC ZINC001164740153 720697118 /nfs/dbraw/zinc/69/71/18/720697118.db2.gz QKPAYXRIILNCSS-SJORKVTESA-N 0 3 436.516 2.559 20 0 IFADHN c1cn(Cc2ccccc2)c2ncnc(N3CCN4C[C@H](Oc5cncnc5)C[C@@H]4C3)c12 ZINC001164741953 720712095 /nfs/dbraw/zinc/71/20/95/720712095.db2.gz USJMNUBUTJBMMW-WOJBJXKFSA-N 0 3 427.512 2.612 20 0 IFADHN c1cn(Cc2ccccc2)c2ncnc(N3CCN4C[C@@H](Oc5cncnc5)C[C@@H]4C3)c12 ZINC001164741951 720712242 /nfs/dbraw/zinc/71/22/42/720712242.db2.gz USJMNUBUTJBMMW-UXHICEINSA-N 0 3 427.512 2.612 20 0 IFADHN COC(=O)c1ccc(-c2ccc(N3CCN4C[C@H](Oc5cncnc5)C[C@@H]4C3)nc2C)cc1 ZINC001164738128 720750031 /nfs/dbraw/zinc/75/00/31/720750031.db2.gz DTXVIDFZXQYXKI-NHCUHLMSSA-N 0 3 445.523 2.976 20 0 IFADHN c1cc2c(nc(-c3ccncc3)nc2N2CCN3C[C@H](Oc4cncnc4)C[C@@H]3C2)s1 ZINC001164746707 720797281 /nfs/dbraw/zinc/79/72/81/720797281.db2.gz MSUVPDMUEZCVRY-IAGOWNOFSA-N 0 3 431.525 2.885 20 0 IFADHN CC(C)N(C)Cc1cnc2n1CCN(c1cc(-c3cc4c([nH]3)CCNC4=O)ccn1)[C@@H]2C ZINC001164861206 720955513 /nfs/dbraw/zinc/95/55/13/720955513.db2.gz SDBXAKNVULRWMU-MRXNPFEDSA-N 0 3 433.560 2.981 20 0 IFADHN CN(Cc1ccccn1)C(=O)[C@@H]1C[C@H]2OCC[C@@H]2N(c2ccc(CN(C)C3CC3)cn2)C1 ZINC001164759056 721016591 /nfs/dbraw/zinc/01/65/91/721016591.db2.gz KEKZCLQETHGQDL-WTIAFYNJSA-N 0 3 435.572 2.713 20 0 IFADHN CCOC(=O)c1nc2ccccc2c(N2CCN3C[C@@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164870477 721052648 /nfs/dbraw/zinc/05/26/48/721052648.db2.gz VZNVJXUMRJSKIX-OALUTQOASA-N 0 3 433.512 2.681 20 0 IFADHN CCOC(=O)c1nc2ccccc2c(N2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164870479 721052881 /nfs/dbraw/zinc/05/28/81/721052881.db2.gz VZNVJXUMRJSKIX-RBUKOAKNSA-N 0 3 433.512 2.681 20 0 IFADHN CC(C)(C)OC(=O)Nc1nccc(N2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164867969 721070747 /nfs/dbraw/zinc/07/07/47/721070747.db2.gz LLSNDNSQKBAADB-ZWKOTPCHSA-N 0 3 426.521 2.698 20 0 IFADHN CCOC(=O)c1sc2ncnc(N3C[C@H]4CN(Cc5cnn(C)c5)CC[C@@H]4C3)c2c1C ZINC001164768509 721073513 /nfs/dbraw/zinc/07/35/13/721073513.db2.gz NMSPGLHFRWCKCK-IAGOWNOFSA-N 0 3 440.573 2.868 20 0 IFADHN Cc1cc(N2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)nc(NC(=O)c2ccccc2)n1 ZINC001164878468 721173724 /nfs/dbraw/zinc/17/37/24/721173724.db2.gz QDTJEJVKPURURF-YADHBBJMSA-N 0 3 444.539 2.912 20 0 IFADHN NC(=S)c1cnc(N2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)c2sccc21 ZINC001164868282 721192293 /nfs/dbraw/zinc/19/22/93/721192293.db2.gz LOUZYHCQANPBHD-JKSUJKDBSA-N 0 3 425.583 2.805 20 0 IFADHN Cn1cc(CN2CC[C@H]3CN(c4ccc(-c5ccc6c(c5)OCCO6)nn4)C[C@@H]3C2)cn1 ZINC001164773338 721204548 /nfs/dbraw/zinc/20/45/48/721204548.db2.gz WIPKLNIXDHBLNZ-PMACEKPBSA-N 0 3 432.528 2.607 20 0 IFADHN COc1ccc(OC)c(-c2ccc(N3C[C@H]4CCN(Cc5cnn(C)c5)C[C@H]4C3)nn2)c1 ZINC001164765750 721218123 /nfs/dbraw/zinc/21/81/23/721218123.db2.gz IFOJMDFGJJXDBA-MOPGFXCFSA-N 0 3 434.544 2.853 20 0 IFADHN COc1ccc(-c2ccc(N3C[C@@H]4CCN(Cc5cnn(C)c5)C[C@@H]4C3)nn2)c(OC)c1 ZINC001164769198 721218264 /nfs/dbraw/zinc/21/82/64/721218264.db2.gz LVJDSDOUZMRHGQ-RBUKOAKNSA-N 0 3 434.544 2.853 20 0 IFADHN COC(=O)c1cc2c(nc1-c1cnn(C)c1)CCN(c1ncccc1CN1CCCC1)CC2 ZINC001164776936 721324687 /nfs/dbraw/zinc/32/46/87/721324687.db2.gz HAFKGIFWECBDJI-UHFFFAOYSA-N 0 3 446.555 2.865 20 0 IFADHN CN1CCC(Oc2ccnc(N(c3ccccn3)c3ccnc([C@H]4COCCN4)n3)c2)CC1 ZINC001164877491 721329697 /nfs/dbraw/zinc/32/96/97/721329697.db2.gz UNNPXWPBXISWAD-HXUWFJFHSA-N 0 3 447.543 2.870 20 0 IFADHN COC(=O)c1ccc2ccnc(N3CC[C@@]4(C3)CCC[C@@H](CN3CCN(C)CC3)O4)c2c1 ZINC001164888898 721404342 /nfs/dbraw/zinc/40/43/42/721404342.db2.gz PDLUIQHCFKQXNO-SQJMNOBHSA-N 0 3 438.572 2.787 20 0 IFADHN CCOC(=O)c1cc2ccc(N3CC[C@]4(C3)CCC[C@@H](CN3CCN(C)CC3)O4)[nH]c-2n1 ZINC001164885266 721424177 /nfs/dbraw/zinc/42/41/77/721424177.db2.gz GLIBBGYJDOHNEI-CYFREDJKSA-N 0 3 441.576 2.505 20 0 IFADHN CN1CCN(C[C@@H]2CCC[C@]3(CCN(C(F)(F)c4cc(Cl)nc(=S)[nH]4)C3)O2)CC1 ZINC001164894308 721427988 /nfs/dbraw/zinc/42/79/88/721427988.db2.gz LLSUVIQCQMZAPI-KBXCAEBGSA-N 0 3 447.983 2.729 20 0 IFADHN CCOC(=O)c1cnc(SC)nc1N1CCN2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164901754 721510425 /nfs/dbraw/zinc/51/04/25/721510425.db2.gz YNWMOXKKIVKQKX-RDJZCZTQSA-N 0 3 432.521 2.856 20 0 IFADHN CCOC(=O)[C@@H]1CCc2nnc(N3CCN4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)cc2C1 ZINC001164905882 721568013 /nfs/dbraw/zinc/56/80/13/721568013.db2.gz HQTLTCHXMUKKRX-BSIFCXSSSA-N 0 3 440.519 2.626 20 0 IFADHN COc1cccc(CN2C[C@@H]3CCN(c4cc(CN(C)C)ccn4)CC[C@@H]3S2(=O)=O)c1 ZINC001164806813 721592812 /nfs/dbraw/zinc/59/28/12/721592812.db2.gz NALYNIDFUBZFDV-UNMCSNQZSA-N 0 3 444.601 2.582 20 0 IFADHN FC1(F)CCN(c2ccc(Cn3cncn3)cn2)C[C@@]12CCN(Cc1ccccn1)C2 ZINC001164909690 721724623 /nfs/dbraw/zinc/72/46/23/721724623.db2.gz CZCHEUVJCYVAME-NRFANRHFSA-N 0 3 425.487 2.854 20 0 IFADHN Cc1nc(CN2CCOC[C@@]3(CN(c4ccc(CN(C)C5CC5)cn4)CCO3)C2)cs1 ZINC001164921860 721832793 /nfs/dbraw/zinc/83/27/93/721832793.db2.gz MMRSEHXMMWUCFX-QHCPKHFHSA-N 0 3 443.617 2.549 20 0 IFADHN COc1cccc(OC)c1CN1CCC(N(C)c2nc(Cl)nc3c2CNCC3)CC1 ZINC001165017850 721837604 /nfs/dbraw/zinc/83/76/04/721837604.db2.gz QTGZOZHSNATVQC-UHFFFAOYSA-N 0 3 431.968 2.894 20 0 IFADHN COC(=O)c1cc2c([n-]1)nc[nH+]c2N(C)C1CCN(Cc2c(OC)cccc2OC)CC1 ZINC001165020264 721839032 /nfs/dbraw/zinc/83/90/32/721839032.db2.gz HBHGWYLKCRIYQC-UHFFFAOYSA-N 0 3 439.516 2.814 20 0 IFADHN COC(=O)c1c[n-]c2nc[nH+]c(N(C)C3CCN(Cc4c(OC)cccc4OC)CC3)c12 ZINC001165022678 721842184 /nfs/dbraw/zinc/84/21/84/721842184.db2.gz RUYCJEVOFYMKRK-UHFFFAOYSA-N 0 3 439.516 2.863 20 0 IFADHN Cc1ccc2c(n1)N(Cc1cccnc1)CCN(c1cccc(N3CCN(C)CC3)n1)C2 ZINC001164950582 722006313 /nfs/dbraw/zinc/00/63/13/722006313.db2.gz DDZZTUXTJKOIDR-UHFFFAOYSA-N 0 3 429.572 2.959 20 0 IFADHN COC(=O)c1cc2c[nH]c(N3CCC4(CC3)COCCN(Cc3ccncc3)C4)cc-2n1 ZINC001164960734 722058839 /nfs/dbraw/zinc/05/88/39/722058839.db2.gz JWZZLPIAHKPWEV-UHFFFAOYSA-N 0 3 435.528 2.864 20 0 IFADHN O=C(c1cccnc1N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1)N1CCCCC1 ZINC001164983400 722102027 /nfs/dbraw/zinc/10/20/27/722102027.db2.gz PXIHCQVXRFVDKN-GMAHTHKFSA-N 0 3 435.572 2.830 20 0 IFADHN CCOC(=O)c1cc2ccnc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)c2[nH]1 ZINC001164976383 722111114 /nfs/dbraw/zinc/11/11/14/722111114.db2.gz LMJLLJNMSUPMNE-PZJWPPBQSA-N 0 3 435.528 2.862 20 0 IFADHN COc1cc2ncc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)nc2cc1OC ZINC001164980505 722113349 /nfs/dbraw/zinc/11/33/49/722113349.db2.gz RMMDKQCILFSYTG-JPYJTQIMSA-N 0 3 435.528 2.769 20 0 IFADHN Cc1cc(NC(=O)c2cccnc2N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)no1 ZINC001164982646 722139276 /nfs/dbraw/zinc/13/92/76/722139276.db2.gz RVLUKPRZHUAMRZ-FPOVZHCZSA-N 0 3 448.527 2.753 20 0 IFADHN FC(F)(c1nc(Cl)nc2[nH]cnc21)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164979745 722142152 /nfs/dbraw/zinc/14/21/52/722142152.db2.gz MCESPICWVGWFSD-GJZGRUSLSA-N 0 3 449.893 2.625 20 0 IFADHN CN(Cc1ccc(N2CCC[C@@]3(CC(C(=O)NCc4ccncc4)=NO3)C2)nc1)C1CC1 ZINC001164998239 722219021 /nfs/dbraw/zinc/21/90/21/722219021.db2.gz HKCPCVXPCGNKSX-XMMPIXPASA-N 0 3 434.544 2.503 20 0 IFADHN COc1ccc([C@H]2[C@H](C(=O)NCCN(C)C)CCC(=O)N2c2ccc(OC)cc2)cc1 ZINC000004563170 536948143 /nfs/dbraw/zinc/94/81/43/536948143.db2.gz SSKATIMLJVUIDA-GGAORHGYSA-N 0 3 425.529 2.866 20 0 IFADHN CN(C)[C@H](CNC(=O)c1ccc(S(=O)(=O)NCc2ccco2)cc1)c1ccccc1 ZINC000002649520 562929251 /nfs/dbraw/zinc/92/92/51/562929251.db2.gz KDYRBDIMIJPFEH-OAQYLSRUSA-N 0 3 427.526 2.791 20 0 IFADHN CCOC(=O)C1CCN(C2CCN(C(F)(F)c3cc(OC)nc(Cl)n3)CC2)CC1 ZINC001164616399 719035346 /nfs/dbraw/zinc/03/53/46/719035346.db2.gz BHEBCQLASUFEPK-UHFFFAOYSA-N 0 3 432.899 2.927 20 0 IFADHN COC(=O)[C@H]1CNCCN1C(F)(F)c1cnc(Cl)nc1-c1cn(C)c2ccccc12 ZINC001164630595 719134384 /nfs/dbraw/zinc/13/43/84/719134384.db2.gz JLEPOZQNICFILK-MRXNPFEDSA-N 0 3 435.862 2.785 20 0 IFADHN O=C(NCc1ccc(F)cc1)C1=NO[C@]2(CCN(c3ccc(CN4CCCC4)cn3)C2)C1 ZINC001164651042 719322164 /nfs/dbraw/zinc/32/21/64/719322164.db2.gz FKEZJPGQUKUVHU-XMMPIXPASA-N 0 3 437.519 2.858 20 0 IFADHN COC(=O)c1cc(C(F)(F)n2nc(CN(C)C(C)C)c3c2CNCC3)cnc1Cl ZINC001164685993 719614346 /nfs/dbraw/zinc/61/43/46/719614346.db2.gz XKZCLAXXSLLXSP-UHFFFAOYSA-N 0 3 427.883 2.802 20 0 IFADHN COC(=O)c1ccc(C(F)(F)n2nc(CN(C)C(C)C)c3c2CNCC3)c(Cl)n1 ZINC001164683249 719619151 /nfs/dbraw/zinc/61/91/51/719619151.db2.gz RQFGUOIUWHNCOH-UHFFFAOYSA-N 0 3 427.883 2.802 20 0 IFADHN CNC(=O)CN1CCCC12CCN(c1nc(Cl)nc(Oc3cccc(F)c3)n1)CC2 ZINC001164687305 719728350 /nfs/dbraw/zinc/72/83/50/719728350.db2.gz VVIGUZDETRLMDG-UHFFFAOYSA-N 0 3 434.903 2.637 20 0 IFADHN COC[C@@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)nc3[n-]c(C(=O)OC)cc31)C2 ZINC001164809939 720136442 /nfs/dbraw/zinc/13/64/42/720136442.db2.gz IUOUSHIEDZZYPD-LHSJRXKWSA-N 0 3 433.940 2.583 20 0 IFADHN COC[C@@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)nc3[n-]c(C(=O)OC)cc31)C2 ZINC001164809939 720136451 /nfs/dbraw/zinc/13/64/51/720136451.db2.gz IUOUSHIEDZZYPD-LHSJRXKWSA-N 0 3 433.940 2.583 20 0 IFADHN COC(=O)c1ccc(-c2ccc(N3CCN4C[C@@H](Oc5cncnc5)C[C@H]4C3)nc2C)cc1 ZINC001164738136 720749766 /nfs/dbraw/zinc/74/97/66/720749766.db2.gz DTXVIDFZXQYXKI-SFTDATJTSA-N 0 3 445.523 2.976 20 0 IFADHN c1ccc2nc(N3CCN4C[C@@H](Oc5cncnc5)C[C@@H]4C3)c(N3CCCCC3)nc2c1 ZINC001164742852 720753539 /nfs/dbraw/zinc/75/35/39/720753539.db2.gz OOAHVAYBTMJKFQ-MOPGFXCFSA-N 0 3 431.544 2.752 20 0 IFADHN c1ccc2nc(N3CCN4C[C@H](Oc5cncnc5)C[C@H]4C3)c(N3CCCCC3)nc2c1 ZINC001164742857 720754857 /nfs/dbraw/zinc/75/48/57/720754857.db2.gz OOAHVAYBTMJKFQ-RBUKOAKNSA-N 0 3 431.544 2.752 20 0 IFADHN c1ccc(-c2nc3ccccc3c(N3CCN4C[C@@H](Oc5cncnc5)C[C@H]4C3)n2)nc1 ZINC001164737156 720760940 /nfs/dbraw/zinc/76/09/40/720760940.db2.gz AEWBCZKMNZMIOG-ROUUACIJSA-N 0 3 425.496 2.824 20 0 IFADHN O=C(OCc1ccccc1)c1ccc(N2CCN3C[C@H](Oc4cncnc4)C[C@@H]3C2)nc1 ZINC001164744050 720776065 /nfs/dbraw/zinc/77/60/65/720776065.db2.gz QXGKQANVOIJGNH-NHCUHLMSSA-N 0 3 431.496 2.571 20 0 IFADHN CCOC(=O)c1cc2ccc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nc2[n-]1 ZINC001164744709 720838986 /nfs/dbraw/zinc/83/89/86/720838986.db2.gz LHFNOVIVWXKUHT-IRFCIJBXSA-N 0 3 449.559 2.711 20 0 IFADHN CCOC(=O)c1cc2ccc(N3CC[C@@H]4[C@@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)nc2[n-]1 ZINC001164744709 720838989 /nfs/dbraw/zinc/83/89/89/720838989.db2.gz LHFNOVIVWXKUHT-IRFCIJBXSA-N 0 3 449.559 2.711 20 0 IFADHN CN(Cc1ccccn1)C(=O)[C@@H]1C[C@H]2OCC[C@H]2N(c2ccc(CN(C)C3CC3)cn2)C1 ZINC001164759055 721016419 /nfs/dbraw/zinc/01/64/19/721016419.db2.gz KEKZCLQETHGQDL-UEVCKROQSA-N 0 3 435.572 2.713 20 0 IFADHN CC(C)(C)OC(=O)Nc1cc(N2CCN3C[C@@H](OCc4cccnc4)C[C@H]3C2)ncn1 ZINC001164871506 721061176 /nfs/dbraw/zinc/06/11/76/721061176.db2.gz ZJEXUFXDUFEWNJ-ROUUACIJSA-N 0 3 426.521 2.698 20 0 IFADHN CCOC(=O)c1cc2cccnc2nc1N1CCN2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164867377 721085636 /nfs/dbraw/zinc/08/56/36/721085636.db2.gz YGBIRVTZZBGHNS-PMACEKPBSA-N 0 3 433.512 2.681 20 0 IFADHN CCOC(=O)c1cc2ncnc(N3CCN4C[C@H](OCc5cccnc5)C[C@H]4C3)c2s1 ZINC001164864847 721114900 /nfs/dbraw/zinc/11/49/00/721114900.db2.gz GVVVXOWGVIRTBK-DLBZAZTESA-N 0 3 439.541 2.743 20 0 IFADHN CC(C)n1cnc2c1nc(Cl)nc2N1CCN2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164865804 721119089 /nfs/dbraw/zinc/11/90/89/721119089.db2.gz PQDXWWCRHGLDQV-IRXDYDNUSA-N 0 3 427.940 2.935 20 0 IFADHN COC(=O)c1cc2c(N3C[C@@H]4CCN(Cc5cnn(C)c5)C[C@@H]4C3)[nH]c(Cl)cc-2n1 ZINC001164773841 721171257 /nfs/dbraw/zinc/17/12/57/721171257.db2.gz XJNRYKLHXJXFNP-LSDHHAIUSA-N 0 3 428.924 2.695 20 0 IFADHN Cn1cc(CN2CC[C@@H]3CN(c4ccc(-c5ccc6c(c5)OCCO6)nn4)C[C@@H]3C2)cn1 ZINC001164773339 721203359 /nfs/dbraw/zinc/20/33/59/721203359.db2.gz WIPKLNIXDHBLNZ-UXHICEINSA-N 0 3 432.528 2.607 20 0 IFADHN Cn1cc(CN2CC[C@@H]3CN(c4ccc(-c5ccc6c(c5)OCCCO6)nn4)C[C@H]3C2)cn1 ZINC001164764942 721216476 /nfs/dbraw/zinc/21/64/76/721216476.db2.gz HHEBUCSYFJRDML-NHCUHLMSSA-N 0 3 446.555 2.997 20 0 IFADHN COC(=O)c1cc2c(nc1-c1cnn(C)c1)CCN(c1ccc(CN3CCCC3)cn1)CC2 ZINC001164776076 721324550 /nfs/dbraw/zinc/32/45/50/721324550.db2.gz BRYFHTOQKFXWFV-UHFFFAOYSA-N 0 3 446.555 2.865 20 0 IFADHN Cc1noc(C)c1CN1CCOC[C@]2(CCCN(c3cccc(N4CCOCC4)n3)C2)C1 ZINC001164780318 721360335 /nfs/dbraw/zinc/36/03/35/721360335.db2.gz GBAYHXCDZXTMIU-XMMPIXPASA-N 0 3 441.576 2.642 20 0 IFADHN c1cc(N2CCOCC2)cn2nc(C3CCN(c4ccc(CN5CCCC5)cn4)CC3)nc12 ZINC001164881592 721361796 /nfs/dbraw/zinc/36/17/96/721361796.db2.gz FEYKCULKNMZOJN-UHFFFAOYSA-N 0 3 447.587 2.941 20 0 IFADHN CCOC(=O)c1c(C)cc(N2CC[C@@]3(C2)CCC[C@@H](CN2CCN(C)CC2)O3)nc1C ZINC001164884641 721419701 /nfs/dbraw/zinc/41/97/01/721419701.db2.gz FHAFHYJUVHTKHN-GBXCKJPGSA-N 0 3 430.593 2.641 20 0 IFADHN COC(=O)c1ccc2cc(N3CC[C@@]4(C3)CCC[C@@H](CN3CCN(C)CC3)O4)ncc2c1 ZINC001164898718 721430908 /nfs/dbraw/zinc/43/09/08/721430908.db2.gz WRKYPURPLLQMHL-WIOPSUGQSA-N 0 3 438.572 2.787 20 0 IFADHN CC(C)N1Cc2c(nc(Cl)nc2N2CCN3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)C1=O ZINC001164903364 721549996 /nfs/dbraw/zinc/54/99/96/721549996.db2.gz CFIZDYQRXXZUCY-NVXWUHKLSA-N 0 3 445.926 2.975 20 0 IFADHN O=C(NC1CCCC1)c1ccc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)nn1 ZINC001164909945 721559460 /nfs/dbraw/zinc/55/94/60/721559460.db2.gz VULWGUUPSIBYLR-AZUAARDMSA-N 0 3 425.508 2.630 20 0 IFADHN CCCNC(=O)c1cc(Cl)nc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164909253 721567553 /nfs/dbraw/zinc/56/75/53/721567553.db2.gz UBVWPOUNGXALSD-DOTOQJQBSA-N 0 3 433.915 2.751 20 0 IFADHN Cc1cccc(CN2CCO[C@@H]3CN(c4ccc(CN5CCCC5)cn4)CC[C@H]3C2=O)n1 ZINC001164799940 721603051 /nfs/dbraw/zinc/60/30/51/721603051.db2.gz LBCUDHCWEKBUNU-DHIUTWEWSA-N 0 3 435.572 2.635 20 0 IFADHN Cc1cccc(CN2CCO[C@@H]3CN(c4ncccc4CN4CCCC4)CC[C@@H]3C2=O)n1 ZINC001164804150 721603231 /nfs/dbraw/zinc/60/32/31/721603231.db2.gz XNMMUJIBQPTLJT-XZOQPEGZSA-N 0 3 435.572 2.635 20 0 IFADHN Cc1nc(CN2CCOC[C@]3(CN(c4ncccc4CN4CCCC4)CCO3)C2)cs1 ZINC001164926849 721834176 /nfs/dbraw/zinc/83/41/76/721834176.db2.gz SQSAIXUDMVYEIG-HSZRJFAPSA-N 0 3 443.617 2.550 20 0 IFADHN c1cc(CN2CCOCC3(CCN(c4cc(N5CCSCC5)ncn4)CC3)C2)ccn1 ZINC001164962441 722060969 /nfs/dbraw/zinc/06/09/69/722060969.db2.gz RYZZVCIGSYHYNG-UHFFFAOYSA-N 0 3 440.617 2.544 20 0 IFADHN O=C(c1cccnc1N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1)N1CCCCC1 ZINC001164983401 722102273 /nfs/dbraw/zinc/10/22/73/722102273.db2.gz PXIHCQVXRFVDKN-JTHBVZDNSA-N 0 3 435.572 2.830 20 0 IFADHN CCOC(=O)c1nc2ccccc2c(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164985794 722103055 /nfs/dbraw/zinc/10/30/55/722103055.db2.gz WUEWLRBZNGPYNL-KNQAVFIVSA-N 0 3 447.539 2.929 20 0 IFADHN COC(=O)c1ccc2ncnc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)c2c1 ZINC001164983438 722104659 /nfs/dbraw/zinc/10/46/59/722104659.db2.gz QDPCPOQLZFEKCN-UGKGYDQZSA-N 0 3 433.512 2.539 20 0 IFADHN c1cncc(CN2CCO[C@H]3CN(c4ncnc5cc6c(cc54)OCCO6)CC[C@H]3C2)c1 ZINC001164974708 722105210 /nfs/dbraw/zinc/10/52/10/722105210.db2.gz BLSDNKYVYNGQMQ-MBSDFSHPSA-N 0 3 433.512 2.523 20 0 IFADHN COc1nc(Cl)ncc1C(F)(F)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164978010 722136531 /nfs/dbraw/zinc/13/65/31/722136531.db2.gz JDEZYCHYBRFUTQ-DOTOQJQBSA-N 0 3 439.894 2.806 20 0 IFADHN FC(F)(COc1ccc(Cl)nn1)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164979604 722140401 /nfs/dbraw/zinc/14/04/01/722140401.db2.gz LNNIUMYMOFEAQR-DLBZAZTESA-N 0 3 439.894 2.720 20 0 IFADHN FC(F)(c1nc(Cl)nc2[nH]cnc21)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164979747 722142721 /nfs/dbraw/zinc/14/27/21/722142721.db2.gz MCESPICWVGWFSD-LSDHHAIUSA-N 0 3 449.893 2.625 20 0 IFADHN CN(C)C(=O)c1cnc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c(Cl)c1 ZINC001164982083 722144187 /nfs/dbraw/zinc/14/41/87/722144187.db2.gz QXPTVUAVEGMGBG-FXAWDEMLSA-N 0 3 429.952 2.559 20 0 IFADHN COC(=O)[C@H](C)c1c(Cl)ncnc1N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164976158 722156797 /nfs/dbraw/zinc/15/67/97/722156797.db2.gz UIURIVQCQAQPDX-NJAFHUGGSA-N 0 3 445.951 2.529 20 0 IFADHN CCOC(=O)C1CCN(C2CCN(C(F)(F)c3cc(N(C)C)nc(Cl)n3)CC2)CC1 ZINC001164618668 719034775 /nfs/dbraw/zinc/03/47/75/719034775.db2.gz XXFPTJJQCPMYFC-UHFFFAOYSA-N 0 3 445.942 2.985 20 0 IFADHN COC(=O)[C@@H]1CNCCN1C(F)(F)c1cnc(Cl)nc1-c1cn(C)c2ccccc12 ZINC001164630594 719134046 /nfs/dbraw/zinc/13/40/46/719134046.db2.gz JLEPOZQNICFILK-INIZCTEOSA-N 0 3 435.862 2.785 20 0 IFADHN CCOC(=O)c1cnc(Cl)c(N2CCC3(CCCN3CC(=O)NC)CC2)c1Cl ZINC001164684083 719708621 /nfs/dbraw/zinc/70/86/21/719708621.db2.gz MWPPRZMMUYMRIY-UHFFFAOYSA-N 0 3 429.348 2.746 20 0 IFADHN CCOc1cc2ncnc(N3CCN4C[C@H](Oc5cncnc5)C[C@@H]4C3)c2cc1OCC ZINC001164740149 720697311 /nfs/dbraw/zinc/69/73/11/720697311.db2.gz QKPAYXRIILNCSS-IAGOWNOFSA-N 0 3 436.516 2.559 20 0 IFADHN Fc1cccc(Cn2ccc3c2ncnc3N2CCN3C[C@H](Oc4cncnc4)C[C@H]3C2)c1 ZINC001164737572 720710361 /nfs/dbraw/zinc/71/03/61/720710361.db2.gz GGDIYUSUKDZOPF-VQTJNVASSA-N 0 3 445.502 2.751 20 0 IFADHN c1cn(Cc2ccccc2)c2ncnc(N3CCN4C[C@H](Oc5cncnc5)C[C@H]4C3)c12 ZINC001164741952 720712895 /nfs/dbraw/zinc/71/28/95/720712895.db2.gz USJMNUBUTJBMMW-VQTJNVASSA-N 0 3 427.512 2.612 20 0 IFADHN O=C(c1ccccc1)n1ccc2ccc(N3CCN4C[C@@H](Oc5cncnc5)C[C@@H]4C3)nc21 ZINC001164743970 720747033 /nfs/dbraw/zinc/74/70/33/720747033.db2.gz QSGQNRUTAQKBLD-RTWAWAEBSA-N 0 3 440.507 2.857 20 0 IFADHN c1ccc2c(c1)nc(-c1cccnc1)nc2N1CCN2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164737189 720757410 /nfs/dbraw/zinc/75/74/10/720757410.db2.gz AMFAJLCJNBYGAY-RTBURBONSA-N 0 3 425.496 2.824 20 0 IFADHN c1cc2c(nc(-c3ccncc3)nc2N2CCN3C[C@@H](Oc4cncnc4)C[C@H]3C2)s1 ZINC001164746708 720797979 /nfs/dbraw/zinc/79/79/79/720797979.db2.gz MSUVPDMUEZCVRY-IRXDYDNUSA-N 0 3 431.525 2.885 20 0 IFADHN CN(Cc1ccccn1)C(=O)[C@@H]1C[C@@H]2OCC[C@@H]2N(c2ncccc2CN2CCCC2)C1 ZINC001164758024 721016917 /nfs/dbraw/zinc/01/69/17/721016917.db2.gz HNBWEHPJLOHYCV-PUHATCMVSA-N 0 3 435.572 2.715 20 0 IFADHN O=C(NCc1ccccn1)[C@@H]1CCO[C@@H]2CCN(c3ccc(CN4CCCC4)cn3)C[C@@H]21 ZINC001164760936 721021492 /nfs/dbraw/zinc/02/14/92/721021492.db2.gz REHATIIEPLCNBP-DNVJHFABSA-N 0 3 435.572 2.620 20 0 IFADHN CN(Cc1ccc(N2CC[C@@H]3OCC[C@@H](C(=O)NCc4ccccn4)[C@@H]3C2)nc1)C1CC1 ZINC001164762383 721022203 /nfs/dbraw/zinc/02/22/03/721022203.db2.gz VISAMLYELPSWAV-VJBWXMMDSA-N 0 3 435.572 2.619 20 0 IFADHN CCOC(=O)c1sc2ncnc(N3C[C@@H]4CCN(Cc5cnn(C)c5)C[C@H]4C3)c2c1C ZINC001164768512 721073859 /nfs/dbraw/zinc/07/38/59/721073859.db2.gz NMSPGLHFRWCKCK-IRXDYDNUSA-N 0 3 440.573 2.868 20 0 IFADHN CCOC(=O)c1ccc2ncnc(N3CCN4C[C@@H](OCc5cccnc5)C[C@H]4C3)c2c1 ZINC001164864497 721089053 /nfs/dbraw/zinc/08/90/53/721089053.db2.gz GCYZVMHBVLRCBZ-PMACEKPBSA-N 0 3 433.512 2.681 20 0 IFADHN Cn1cc(CN2CC[C@@H]3CN(c4ncnc5c4CCN(Cc4ccccc4)C5)C[C@@H]3C2)cn1 ZINC001164771364 721115293 /nfs/dbraw/zinc/11/52/93/721115293.db2.gz SHGPYVQSXCPNOF-PKTZIBPZSA-N 0 3 443.599 2.727 20 0 IFADHN CC1CCN(C(=O)c2cccnc2N2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)CC1 ZINC001164873639 721141955 /nfs/dbraw/zinc/14/19/55/721141955.db2.gz JOQCVPHASQDRCA-FCHUYYIVSA-N 0 3 435.572 2.828 20 0 IFADHN CC1CCN(C(=O)c2ccc(N3CCN4C[C@H](OCc5cccnc5)C[C@@H]4C3)nc2)CC1 ZINC001164871024 721142622 /nfs/dbraw/zinc/14/26/22/721142622.db2.gz CZIGRZBODUWEQL-DHIUTWEWSA-N 0 3 435.572 2.828 20 0 IFADHN CC1CCN(C(=O)c2ccc(N3CCN4C[C@H](OCc5cccnc5)C[C@H]4C3)nc2)CC1 ZINC001164871030 721143015 /nfs/dbraw/zinc/14/30/15/721143015.db2.gz CZIGRZBODUWEQL-XZOQPEGZSA-N 0 3 435.572 2.828 20 0 IFADHN Cn1cc(CN2CC[C@@H]3CN(c4cc(C(=O)NC(C)(C)C)cc(Cl)n4)C[C@H]3C2)cn1 ZINC001164761700 721150494 /nfs/dbraw/zinc/15/04/94/721150494.db2.gz AKONXJLPDYOCNM-SJLPKXTDSA-N 0 3 430.984 2.955 20 0 IFADHN Cn1cc(CN2CC[C@@H]3CN(c4ncnc5c4ncn5Cc4ccccc4F)C[C@H]3C2)cn1 ZINC001164773970 721157731 /nfs/dbraw/zinc/15/77/31/721157731.db2.gz ZOCVQJHBYCKWSP-UYAOXDASSA-N 0 3 446.534 2.706 20 0 IFADHN Cn1cc(CN2CC[C@H]3CN(c4ncnc5c4ncn5Cc4ccccc4F)C[C@H]3C2)cn1 ZINC001164773960 721158220 /nfs/dbraw/zinc/15/82/20/721158220.db2.gz ZOCVQJHBYCKWSP-AZUAARDMSA-N 0 3 446.534 2.706 20 0 IFADHN c1cncc(CO[C@H]2C[C@H]3CN(c4nc(-c5cccnc5)nc5c4CCC5)CCN3C2)c1 ZINC001164876555 721166823 /nfs/dbraw/zinc/16/68/23/721166823.db2.gz NDQKRFUAQOJZAL-SFTDATJTSA-N 0 3 428.540 2.902 20 0 IFADHN CC(C)CNC(=O)c1ccc2c(c1)ncnc2N1C[C@H]2CN(Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001164771131 721171432 /nfs/dbraw/zinc/17/14/32/721171432.db2.gz PJULVCJVZRGEKL-NHCUHLMSSA-N 0 3 447.587 2.707 20 0 IFADHN Clc1nc2c(Cl)ncnc2c(N2CCN3C[C@@H](OCc4cccnc4)C[C@H]3C2)n1 ZINC001164880987 721171694 /nfs/dbraw/zinc/17/16/94/721171694.db2.gz YQKZIQLQHXJFQW-KBPBESRZSA-N 0 3 432.315 2.601 20 0 IFADHN CCN(C)c1cc(C)nc(N2CCC[C@]3(C2)COCCN(Cc2c(C)noc2C)C3)n1 ZINC001164776523 721330855 /nfs/dbraw/zinc/33/08/55/721330855.db2.gz FZQGFVQLAIVROR-QHCPKHFHSA-N 0 3 428.581 2.965 20 0 IFADHN O=C(C[C@@H]1COC[C@@H]2CN(c3ccc(CN4CCCC4)cn3)C[C@@H]21)N1CCC(F)CC1 ZINC001164896956 721478600 /nfs/dbraw/zinc/47/86/00/721478600.db2.gz YNDZGZRZJLNAAJ-RZUBCFFCSA-N 0 3 430.568 2.727 20 0 IFADHN CCOC(=O)Cc1c(Cl)ncnc1N1CCN2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164902612 721536010 /nfs/dbraw/zinc/53/60/10/721536010.db2.gz AMXRLGWASYSIMA-NVXWUHKLSA-N 0 3 434.899 2.717 20 0 IFADHN CCN(CC)S(=O)(=O)c1ccc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)nc1 ZINC001164903138 721553844 /nfs/dbraw/zinc/55/38/44/721553844.db2.gz AYLYHHQYPCGOTG-QUCCMNQESA-N 0 3 448.564 2.593 20 0 IFADHN COC(=O)[C@H](C)c1c(Cl)ncnc1N1CCN2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164904259 721567027 /nfs/dbraw/zinc/56/70/27/721567027.db2.gz DQRMCBOJWVFWJZ-UKPHBRMFSA-N 0 3 434.899 2.888 20 0 IFADHN Cc1cccc(CN2CCO[C@@H]3CN(c4ccc(CN(C)C5CC5)cn4)CC[C@@H]3C2=O)n1 ZINC001164802699 721603074 /nfs/dbraw/zinc/60/30/74/721603074.db2.gz SUVSDEHKOJKPOI-XZOQPEGZSA-N 0 3 435.572 2.633 20 0 IFADHN C[C@H]1C(=O)NCCN1c1c2c(cnc1Cl)C1(CCN(Cc3ccccc3)CC1)OC2=O ZINC001165039204 721883271 /nfs/dbraw/zinc/88/32/71/721883271.db2.gz YUCGOFSZMZFAOW-HNNXBMFYSA-N 0 3 440.931 2.721 20 0 IFADHN CC(C)(C)OC(=O)Nc1cc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)ncn1 ZINC001164985281 722105309 /nfs/dbraw/zinc/10/53/09/722105309.db2.gz WEUUNYNYBUKNLN-MOPGFXCFSA-N 0 3 440.548 2.946 20 0 IFADHN COc1cc2ncnc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)c2cc1OC ZINC001164983953 722105758 /nfs/dbraw/zinc/10/57/58/722105758.db2.gz RJSKKACLVPEZTE-MBSDFSHPSA-N 0 3 435.528 2.769 20 0 IFADHN CCOC(=O)c1cnc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)cc1OCC ZINC001164981465 722115956 /nfs/dbraw/zinc/11/59/56/722115956.db2.gz UCKBSKIFPCDAFJ-DENIHFKCSA-N 0 3 440.544 2.779 20 0 IFADHN COc1cc2ncnc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)c2c(OC)c1 ZINC001164981908 722123584 /nfs/dbraw/zinc/12/35/84/722123584.db2.gz VKEULJJYHKBDDS-PGRDOPGGSA-N 0 3 435.528 2.769 20 0 IFADHN FC(F)(c1nc2[nH]cnc2c(Cl)n1)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164975088 722142729 /nfs/dbraw/zinc/14/27/29/722142729.db2.gz DVLCHMCKQZANRC-GJZGRUSLSA-N 0 3 449.893 2.625 20 0 IFADHN FC(F)(COc1cncc(Cl)n1)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164976062 722143910 /nfs/dbraw/zinc/14/39/10/722143910.db2.gz GXZFTFZNUFBKAO-DLBZAZTESA-N 0 3 439.894 2.720 20 0 IFADHN COc1nnc(Cl)cc1C(F)(F)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164975442 722156291 /nfs/dbraw/zinc/15/62/91/722156291.db2.gz SVSXGMJFKRQJGL-RDJZCZTQSA-N 0 3 439.894 2.806 20 0 IFADHN FC(F)(Oc1cnc(Cl)cn1)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164972133 722157333 /nfs/dbraw/zinc/15/73/33/722157333.db2.gz FUXZVVDIQIZPQL-HOTGVXAUSA-N 0 3 425.867 2.677 20 0 IFADHN CN(Cc1ccc(N2CC[C@@]3(c4ccccc4)CCN(S(C)(=O)=O)[C@H]3C2)nc1)C1CC1 ZINC001164993481 722187236 /nfs/dbraw/zinc/18/72/36/722187236.db2.gz ZUGXDLGCGGKFMN-UPVQGACJSA-N 0 3 440.613 2.858 20 0 IFADHN CN(Cc1ccc(N2CCC[C@]3(CC(C(=O)NCc4ccncc4)=NO3)C2)nc1)C1CC1 ZINC001164998237 722219085 /nfs/dbraw/zinc/21/90/85/722219085.db2.gz HKCPCVXPCGNKSX-DEOSSOPVSA-N 0 3 434.544 2.503 20 0 IFADHN FC(F)(Oc1cccc(COc2cncc(Cl)n2)c1)N1CC[C@H]2NCCO[C@@H]2C1 ZINC001164388674 718825596 /nfs/dbraw/zinc/82/55/96/718825596.db2.gz DOJJFRUWWIACRU-HZPDHXFCSA-N 0 3 426.851 2.701 20 0 IFADHN FC(F)(Oc1cccc(COc2cncc(Cl)n2)c1)N1CC[C@H]2NCCO[C@H]2C1 ZINC001164388670 718825726 /nfs/dbraw/zinc/82/57/26/718825726.db2.gz DOJJFRUWWIACRU-CVEARBPZSA-N 0 3 426.851 2.701 20 0 IFADHN CCOC(=O)C1CCN(C2CCN(C(F)(F)c3nc(Cl)nc4[nH]cnc43)CC2)CC1 ZINC001164618047 719032071 /nfs/dbraw/zinc/03/20/71/719032071.db2.gz RMJUNMBCQBGJAG-UHFFFAOYSA-N 0 3 442.898 2.747 20 0 IFADHN CCOC(=O)C1CCN(C2CCN(C(F)(F)c3cc(Cl)nnc3OC)CC2)CC1 ZINC001164617611 719035409 /nfs/dbraw/zinc/03/54/09/719035409.db2.gz NFVYFFGNHVUPQN-UHFFFAOYSA-N 0 3 432.899 2.927 20 0 IFADHN COC(=O)c1nc(Cl)ccc1-c1ccc(C(F)(F)N2CCNC[C@H]2C(=O)OC)cc1 ZINC001164631739 719135228 /nfs/dbraw/zinc/13/52/28/719135228.db2.gz OGTHJLOCLBDJGZ-HNNXBMFYSA-N 0 3 439.846 2.685 20 0 IFADHN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1ncc3c(n1)CCNC3)CC2 ZINC001164663845 719346709 /nfs/dbraw/zinc/34/67/09/719346709.db2.gz NQXNEMHHWGUYIE-UHFFFAOYSA-N 0 3 429.572 2.817 20 0 IFADHN CC1CCN(Cc2nc3sc4c(c3c(N3C[C@H]5OCCN(C)[C@@H]5C3)n2)CCC4)CC1 ZINC001164665933 719443046 /nfs/dbraw/zinc/44/30/46/719443046.db2.gz ABDSHFKASFTGAM-QZTJIDSGSA-N 0 3 427.618 2.931 20 0 IFADHN COC(=O)c1c[nH]c2ncnc(N3CCC4(CC3)COCCN4Cc3ccc(F)cc3)c12 ZINC001164674019 719513265 /nfs/dbraw/zinc/51/32/65/719513265.db2.gz YXXBKJHNTZQJBS-UHFFFAOYSA-N 0 3 439.491 2.755 20 0 IFADHN COC(=O)c1ccc(C(F)(F)n2nc(CN(C)C(C)C)c3c2CNCC3)nc1Cl ZINC001164684184 719612855 /nfs/dbraw/zinc/61/28/55/719612855.db2.gz MXINRVFWOQFYJU-UHFFFAOYSA-N 0 3 427.883 2.802 20 0 IFADHN CNC(=O)CN1CCCC12CCN(c1nc(Cl)nc(Oc3ccc(F)cc3)n1)CC2 ZINC001164685766 719727979 /nfs/dbraw/zinc/72/79/79/719727979.db2.gz NJDSZNBNSOJVPV-UHFFFAOYSA-N 0 3 434.903 2.637 20 0 IFADHN COC(=O)c1c[n-]c2nc[nH+]c(N3CCC4(CC3)CN(Cc3cccs3)CCO4)c12 ZINC001164697068 719894712 /nfs/dbraw/zinc/89/47/12/719894712.db2.gz JESYXOIPNLCHRW-UHFFFAOYSA-N 0 3 427.530 2.677 20 0 IFADHN COC(=O)c1c[n-]c2ncnc(N3CCC4(CC3)C[N@H+](Cc3cccs3)CCO4)c12 ZINC001164697068 719894719 /nfs/dbraw/zinc/89/47/19/719894719.db2.gz JESYXOIPNLCHRW-UHFFFAOYSA-N 0 3 427.530 2.677 20 0 IFADHN COC(=O)c1c[n-]c2ncnc(N3CCC4(CC3)C[N@@H+](Cc3cccs3)CCO4)c12 ZINC001164697068 719894720 /nfs/dbraw/zinc/89/47/20/719894720.db2.gz JESYXOIPNLCHRW-UHFFFAOYSA-N 0 3 427.530 2.677 20 0 IFADHN COC[C@H]1C[N@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)nc3[n-]c(C(=O)OC)cc31)C2 ZINC001164809942 720135537 /nfs/dbraw/zinc/13/55/37/720135537.db2.gz IUOUSHIEDZZYPD-SPLOXXLWSA-N 0 3 433.940 2.583 20 0 IFADHN COC[C@H]1C[N@@H+](CC2CC2)C[C@@]12CCN(c1nc(Cl)nc3[n-]c(C(=O)OC)cc31)C2 ZINC001164809942 720135550 /nfs/dbraw/zinc/13/55/50/720135550.db2.gz IUOUSHIEDZZYPD-SPLOXXLWSA-N 0 3 433.940 2.583 20 0 IFADHN CCOC(=O)[C@@H]1CCCN(c2ccc(N3CC[C@H]4[C@H]3CCN4Cc3cccnc3)nn2)C1 ZINC001164727963 720444703 /nfs/dbraw/zinc/44/47/03/720444703.db2.gz FJXKNGOBCKBHKH-QHAWAJNXSA-N 0 3 436.560 2.504 20 0 IFADHN CCOC(=O)[C@@H]1CCCN(c2ccc(N3CC[C@@H]4[C@@H]3CCN4Cc3cccnc3)nn2)C1 ZINC001164727958 720445069 /nfs/dbraw/zinc/44/50/69/720445069.db2.gz FJXKNGOBCKBHKH-NJYVYQBISA-N 0 3 436.560 2.504 20 0 IFADHN CC(C)N1[C@@H]2CCN(c3nc(Cl)ccc3S(C)(=O)=O)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164844107 720592304 /nfs/dbraw/zinc/59/23/04/720592304.db2.gz YPTQZQZJOJCJHG-YESZJQIVSA-N 0 3 437.997 2.713 20 0 IFADHN O=C(OCc1ccccc1)c1ccc(N2CCN3C[C@@H](Oc4cncnc4)C[C@@H]3C2)nc1 ZINC001164744055 720775389 /nfs/dbraw/zinc/77/53/89/720775389.db2.gz QXGKQANVOIJGNH-RTWAWAEBSA-N 0 3 431.496 2.571 20 0 IFADHN c1csc(-c2noc(-c3ccnc(N4CCN5C[C@H](Oc6cncnc6)C[C@H]5C4)c3)n2)c1 ZINC001164747444 720787123 /nfs/dbraw/zinc/78/71/23/720787123.db2.gz OBXGUZHWHMLOMS-DLBZAZTESA-N 0 3 447.524 2.992 20 0 IFADHN C[C@H]1CCCN1C(=O)c1nn(-c2nc(Cl)ccc2CN2CCCC2)c2c1CNCC2 ZINC001164850240 720805553 /nfs/dbraw/zinc/80/55/53/720805553.db2.gz VBIDKAIUTDLLTA-HNNXBMFYSA-N 0 3 428.968 2.787 20 0 IFADHN CC(C)N(C)Cc1cnc2n1CCN(c1nc(N3CCCC3)nc(N3CCCC3)n1)[C@H]2C ZINC001164857221 721000166 /nfs/dbraw/zinc/00/01/66/721000166.db2.gz DQLMQCKPJZSZPX-SFHVURJKSA-N 0 3 439.612 2.690 20 0 IFADHN CN(Cc1ccccn1)C(=O)[C@@H]1C[C@@H]2OCC[C@@H]2N(c2ccc(CN(C)C3CC3)cn2)C1 ZINC001164759053 721016013 /nfs/dbraw/zinc/01/60/13/721016013.db2.gz KEKZCLQETHGQDL-OIBXWCBGSA-N 0 3 435.572 2.713 20 0 IFADHN CN(Cc1ccccn1)C(=O)[C@@H]1C[C@@H]2OCC[C@@H]2N(c2ccc(CN3CCCC3)cn2)C1 ZINC001164757956 721016208 /nfs/dbraw/zinc/01/62/08/721016208.db2.gz GTMLVXDLCWYKRX-PUHATCMVSA-N 0 3 435.572 2.715 20 0 IFADHN CN(Cc1ccccn1)C(=O)[C@@H]1C[C@H]2OCC[C@@H]2N(c2ccc(CN3CCCC3)cn2)C1 ZINC001164757954 721016609 /nfs/dbraw/zinc/01/66/09/721016609.db2.gz GTMLVXDLCWYKRX-AKIFATBCSA-N 0 3 435.572 2.715 20 0 IFADHN CN(Cc1ccccn1)C(=O)[C@@H]1C[C@@H]2OCC[C@H]2N(c2ncccc2CN2CCCC2)C1 ZINC001164758021 721017415 /nfs/dbraw/zinc/01/74/15/721017415.db2.gz HNBWEHPJLOHYCV-MZYLBHOOSA-N 0 3 435.572 2.715 20 0 IFADHN O=C(NCc1ccccn1)[C@@H]1CCO[C@@H]2CCN(c3ccc(CN4CCCC4)cn3)C[C@H]21 ZINC001164760938 721021586 /nfs/dbraw/zinc/02/15/86/721021586.db2.gz REHATIIEPLCNBP-XPWALMASSA-N 0 3 435.572 2.620 20 0 IFADHN O=C(NCc1ccccc1)c1cccnc1N1CCN2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164868151 721054340 /nfs/dbraw/zinc/05/43/40/721054340.db2.gz NDUCHYMPJHXNIP-DHIUTWEWSA-N 0 3 443.551 2.886 20 0 IFADHN CCOC(=O)c1sc2ncnc(N3C[C@H]4CCN(Cc5cnn(C)c5)C[C@H]4C3)c2c1C ZINC001164768515 721073734 /nfs/dbraw/zinc/07/37/34/721073734.db2.gz NMSPGLHFRWCKCK-SJORKVTESA-N 0 3 440.573 2.868 20 0 IFADHN CCN(CC)C(=O)c1cc(Cl)nc(N2C[C@@H]3CCN(Cc4cnn(C)c4)C[C@@H]3C2)c1 ZINC001164764783 721148658 /nfs/dbraw/zinc/14/86/58/721148658.db2.gz HXBWSMMNOVJZJU-PKOBYXMFSA-N 0 3 430.984 2.909 20 0 IFADHN CC(C)CNC(=O)c1ccc2c(c1)ncnc2N1C[C@@H]2CCN(Cc3cnn(C)c3)C[C@H]2C1 ZINC001164771140 721172288 /nfs/dbraw/zinc/17/22/88/721172288.db2.gz PJULVCJVZRGEKL-SFTDATJTSA-N 0 3 447.587 2.707 20 0 IFADHN NC(=S)c1cnc(N2CCN3C[C@@H](OCc4cccnc4)C[C@H]3C2)c2sccc21 ZINC001164868280 721193693 /nfs/dbraw/zinc/19/36/93/721193693.db2.gz LOUZYHCQANPBHD-HOTGVXAUSA-N 0 3 425.583 2.805 20 0 IFADHN COC(=O)c1nc(N2C[C@@H]3CCN(Cc4cnn(C)c4)C[C@H]3C2)c2ccccc2c1OC ZINC001164773368 721222820 /nfs/dbraw/zinc/22/28/20/721222820.db2.gz WSMWXUIEUFYABT-ROUUACIJSA-N 0 3 435.528 2.722 20 0 IFADHN CCCN(CCC)c1cc(N2CC[C@]3(C2)CCC[C@@H](CN2CCN(C)CC2)O3)ncn1 ZINC001164884498 721424589 /nfs/dbraw/zinc/42/45/89/721424589.db2.gz DLGWNXGWFGRRMG-URXFXBBRSA-N 0 3 430.641 2.868 20 0 IFADHN COC(=O)c1ccc2cc(N3CC[C@]4(C3)CCC[C@H](CN3CCN(C)CC3)O4)ncc2c1 ZINC001164898716 721431099 /nfs/dbraw/zinc/43/10/99/721431099.db2.gz WRKYPURPLLQMHL-RDGATRHJSA-N 0 3 438.572 2.787 20 0 IFADHN CCOC(=O)Cc1c(Cl)ncnc1N1CCN2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164902614 721535612 /nfs/dbraw/zinc/53/56/12/721535612.db2.gz AMXRLGWASYSIMA-RDJZCZTQSA-N 0 3 434.899 2.717 20 0 IFADHN CC(C)N1Cc2c(nc(Cl)nc2N2CCN3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)C1=O ZINC001164903363 721550063 /nfs/dbraw/zinc/55/00/63/721550063.db2.gz CFIZDYQRXXZUCY-DOTOQJQBSA-N 0 3 445.926 2.975 20 0 IFADHN CC(C)N1Cc2c(nc(Cl)nc2N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)C1=O ZINC001164903366 721550293 /nfs/dbraw/zinc/55/02/93/721550293.db2.gz CFIZDYQRXXZUCY-WBVHZDCISA-N 0 3 445.926 2.975 20 0 IFADHN COc1nc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)nc(N2CCCCCC2)n1 ZINC001164905903 721552535 /nfs/dbraw/zinc/55/25/35/721552535.db2.gz HZJILNGUQBLOLN-AZUAARDMSA-N 0 3 442.539 2.742 20 0 IFADHN Fc1cccc(O[C@@H]2C[C@@H]3CN(c4nc(Cl)cc(O[C@@H]5CCOC5)n4)CCN3C2)c1 ZINC001164907522 721565924 /nfs/dbraw/zinc/56/59/24/721565924.db2.gz NZBCIZXCDFBZJH-KBAYOESNSA-N 0 3 434.899 2.779 20 0 IFADHN CCCNC(=O)c1cc(Cl)nc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164909255 721567937 /nfs/dbraw/zinc/56/79/37/721567937.db2.gz UBVWPOUNGXALSD-NVXWUHKLSA-N 0 3 433.915 2.751 20 0 IFADHN Cc1cccc(CN2CCO[C@H]3CN(c4ccc(CN5CCCC5)cn4)CC[C@H]3C2=O)n1 ZINC001164799942 721603019 /nfs/dbraw/zinc/60/30/19/721603019.db2.gz LBCUDHCWEKBUNU-PKTZIBPZSA-N 0 3 435.572 2.635 20 0 IFADHN Cc1cccc(CN2CCO[C@@H]3CN(c4ccc(CN5CCCC5)cn4)CC[C@@H]3C2=O)n1 ZINC001164799943 721603083 /nfs/dbraw/zinc/60/30/83/721603083.db2.gz LBCUDHCWEKBUNU-XZOQPEGZSA-N 0 3 435.572 2.635 20 0 IFADHN Cc1cccc(CN2CCO[C@H]3CN(c4ncccc4CN4CCCC4)CC[C@@H]3C2=O)n1 ZINC001164804148 721603269 /nfs/dbraw/zinc/60/32/69/721603269.db2.gz XNMMUJIBQPTLJT-GOTSBHOMSA-N 0 3 435.572 2.635 20 0 IFADHN CN(Cc1ccc(N2CC[C@@H]3OCC[C@H](C(=O)NCCc4ccncc4)[C@@H]3C2)nc1)C1CC1 ZINC001165014293 721753828 /nfs/dbraw/zinc/75/38/28/721753828.db2.gz XUDNWOYNUPZTRQ-HJOGWXRNSA-N 0 3 449.599 2.661 20 0 IFADHN O=C(NCCc1ccncc1)[C@@H]1CCO[C@H]2CCN(c3ccc(CN4CCCC4)cn3)C[C@@H]12 ZINC001165013506 721753877 /nfs/dbraw/zinc/75/38/77/721753877.db2.gz MZQKYKFYPHKYJV-SGNDLWITSA-N 0 3 449.599 2.663 20 0 IFADHN Cc1nc(CN2CCOC[C@]3(CN(c4ccc(CN(C)C5CC5)cn4)CCO3)C2)cs1 ZINC001164921859 721832699 /nfs/dbraw/zinc/83/26/99/721832699.db2.gz MMRSEHXMMWUCFX-HSZRJFAPSA-N 0 3 443.617 2.549 20 0 IFADHN Fc1cnc(N2CCOC[C@]3(CCCN(c4ncccc4CN4CCCC4)C3)C2)nc1 ZINC001164923738 721846577 /nfs/dbraw/zinc/84/65/77/721846577.db2.gz VNJNTVHJCQYIST-QHCPKHFHSA-N 0 3 426.540 2.730 20 0 IFADHN CC(C)(C)C(=O)Nc1ccnc(N2CCN(C3CCCC3)CC2)c1CN1CC[C@@H](CO)C1 ZINC001165031542 721858604 /nfs/dbraw/zinc/85/86/04/721858604.db2.gz BENOUVMUJLCJPK-LJQANCHMSA-N 0 3 443.636 2.945 20 0 IFADHN COC(=O)c1c[nH]c2nc(N3CCC4(CC3)COCCN(Cc3ccncc3)C4)ccc12 ZINC001164963081 722054434 /nfs/dbraw/zinc/05/44/34/722054434.db2.gz HAZCNOCDEDEZDE-UHFFFAOYSA-N 0 3 435.528 2.864 20 0 IFADHN COC(=O)c1ccc2ncnc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)c2c1 ZINC001164983434 722104868 /nfs/dbraw/zinc/10/48/68/722104868.db2.gz QDPCPOQLZFEKCN-KNQAVFIVSA-N 0 3 433.512 2.539 20 0 IFADHN CC(C)(C)OC(=O)Nc1nccc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164982719 722109707 /nfs/dbraw/zinc/10/97/07/722109707.db2.gz XTZOUBHKEIEWCN-OALUTQOASA-N 0 3 440.548 2.946 20 0 IFADHN CCOC(=O)c1cc2ccnc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)c2[nH]1 ZINC001164976384 722111083 /nfs/dbraw/zinc/11/10/83/722111083.db2.gz LMJLLJNMSUPMNE-TZIWHRDSSA-N 0 3 435.528 2.862 20 0 IFADHN COc1cc2ncc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)nc2cc1OC ZINC001164980507 722114083 /nfs/dbraw/zinc/11/40/83/722114083.db2.gz RMMDKQCILFSYTG-WZONZLPQSA-N 0 3 435.528 2.769 20 0 IFADHN COc1nc(Cl)ncc1C(F)(F)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164978015 722136455 /nfs/dbraw/zinc/13/64/55/722136455.db2.gz JDEZYCHYBRFUTQ-WBVHZDCISA-N 0 3 439.894 2.806 20 0 IFADHN COc1cc(C(F)(F)N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)nc(Cl)n1 ZINC001164971734 722156891 /nfs/dbraw/zinc/15/68/91/722156891.db2.gz FBAANJUNFDCDIL-HOTGVXAUSA-N 0 3 439.894 2.806 20 0 IFADHN COC(=O)[C@H](C)c1c(Cl)ncnc1N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164976155 722156917 /nfs/dbraw/zinc/15/69/17/722156917.db2.gz UIURIVQCQAQPDX-BPQIPLTHSA-N 0 3 445.951 2.529 20 0 IFADHN CS(=O)(=O)N1CC[C@]2(c3ccccc3)CCN(c3ncccc3CN3CCCC3)C[C@@H]12 ZINC001164990328 722187338 /nfs/dbraw/zinc/18/73/38/722187338.db2.gz LPBXSYUZQABFLT-VWNXMTODSA-N 0 3 440.613 2.859 20 0 IFADHN O=C(NCc1ccncc1)C1=NO[C@]2(C1)CCCN(c1ccc(CN3CCCC3)cn1)C2 ZINC001164997870 722218402 /nfs/dbraw/zinc/21/84/02/722218402.db2.gz SQIYPRNDQSSXEQ-DEOSSOPVSA-N 0 3 434.544 2.504 20 0 IFADHN C[C@@H]1CCc2c(sc3nc(CN4CCCC4)nc(N4CC[C@@H]5NCCO[C@@H]5C4)c23)C1 ZINC001164389709 718824698 /nfs/dbraw/zinc/82/46/98/718824698.db2.gz JKNBRPBAASLVDY-BPQIPLTHSA-N 0 3 427.618 2.979 20 0 IFADHN CCOC(=O)C1CCN(C2CCN(C(F)(F)c3cnc(Cl)nc3OC)CC2)CC1 ZINC001164617979 719030618 /nfs/dbraw/zinc/03/06/18/719030618.db2.gz SYBZSQGSADOUTR-UHFFFAOYSA-N 0 3 432.899 2.927 20 0 IFADHN COC(=O)c1cc(Cl)nc(C(F)(F)n2nc(CN(C)C(C)C)c3c2CNCC3)c1 ZINC001164681521 719627184 /nfs/dbraw/zinc/62/71/84/719627184.db2.gz HABKNLUUXFAHQA-UHFFFAOYSA-N 0 3 427.883 2.802 20 0 IFADHN CC(=O)Oc1cc2ncnc(N3CC[C@H]4[C@H]3CCN4Cc3cccnc3)c2cc1OC(C)=O ZINC001164735065 720414767 /nfs/dbraw/zinc/41/47/67/720414767.db2.gz VMURWDDWAVMUSN-LEWJYISDSA-N 0 3 447.495 2.729 20 0 IFADHN CCOC(=O)[C@@H]1CCCN(c2ccc(N3CC[C@H]4[C@@H]3CCN4Cc3cccnc3)nn2)C1 ZINC001164727950 720443541 /nfs/dbraw/zinc/44/35/41/720443541.db2.gz FJXKNGOBCKBHKH-HKBOAZHASA-N 0 3 436.560 2.504 20 0 IFADHN Fc1cccc(Cn2ccc3c2ncnc3N2CCN3C[C@H](Oc4cncnc4)C[C@@H]3C2)c1 ZINC001164737573 720709201 /nfs/dbraw/zinc/70/92/01/720709201.db2.gz GGDIYUSUKDZOPF-WOJBJXKFSA-N 0 3 445.502 2.751 20 0 IFADHN O=C(c1ccccc1)n1ccc2ccc(N3CCN4C[C@H](Oc5cncnc5)C[C@@H]4C3)nc21 ZINC001164743969 720747101 /nfs/dbraw/zinc/74/71/01/720747101.db2.gz QSGQNRUTAQKBLD-NHCUHLMSSA-N 0 3 440.507 2.857 20 0 IFADHN c1ccc2c(c1)nc(-c1cccnc1)nc2N1CCN2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164737188 720758602 /nfs/dbraw/zinc/75/86/02/720758602.db2.gz AMFAJLCJNBYGAY-RBUKOAKNSA-N 0 3 425.496 2.824 20 0 IFADHN Cc1ccc(-c2nc3c(ncnc3N3CCN4C[C@H](Oc5cncnc5)C[C@@H]4C3)o2)cc1 ZINC001164746998 720768637 /nfs/dbraw/zinc/76/86/37/720768637.db2.gz ZQMPSCYAZCJMGK-QZTJIDSGSA-N 0 3 429.484 2.725 20 0 IFADHN CC(C)N(C)Cc1cnc2n1CCN(c1nc(N3CCCC3)nc(N3CCCC3)n1)[C@@H]2C ZINC001164857220 720998219 /nfs/dbraw/zinc/99/82/19/720998219.db2.gz DQLMQCKPJZSZPX-GOSISDBHSA-N 0 3 439.612 2.690 20 0 IFADHN CN(Cc1ccc(N2CC[C@@H]3OCC[C@H](C(=O)NCc4ccccn4)[C@H]3C2)nc1)C1CC1 ZINC001164762385 721022581 /nfs/dbraw/zinc/02/25/81/721022581.db2.gz VISAMLYELPSWAV-ZRBLBEILSA-N 0 3 435.572 2.619 20 0 IFADHN Cn1cc(CN2CC[C@@H]3CN(c4ncnc5c4ncn5Cc4ccccc4F)C[C@@H]3C2)cn1 ZINC001164773967 721158515 /nfs/dbraw/zinc/15/85/15/721158515.db2.gz ZOCVQJHBYCKWSP-QUCCMNQESA-N 0 3 446.534 2.706 20 0 IFADHN c1cncc(CO[C@@H]2C[C@@H]3CN(c4nc(-c5ccncc5)nc5c4CCC5)CCN3C2)c1 ZINC001164875300 721167855 /nfs/dbraw/zinc/16/78/55/721167855.db2.gz KTUAQDBRGPUCJW-NHCUHLMSSA-N 0 3 428.540 2.902 20 0 IFADHN CCOC(=O)c1cc2ncnc(N3C[C@@H]4CCN(Cc5cnn(C)c5)C[C@H]4C3)c2s1 ZINC001164769419 721168443 /nfs/dbraw/zinc/16/84/43/721168443.db2.gz MHUHMUPZKUFGBV-HOTGVXAUSA-N 0 3 426.546 2.560 20 0 IFADHN COC(=O)c1cc2c(N3C[C@H]4CCN(Cc5cnn(C)c5)C[C@H]4C3)[nH]c(Cl)cc-2n1 ZINC001164773838 721171742 /nfs/dbraw/zinc/17/17/42/721171742.db2.gz XJNRYKLHXJXFNP-CABCVRRESA-N 0 3 428.924 2.695 20 0 IFADHN COC(=O)c1cc2c(N3C[C@H]4CN(Cc5cnn(C)c5)CC[C@@H]4C3)[nH]c(Cl)cc-2n1 ZINC001164773840 721172018 /nfs/dbraw/zinc/17/20/18/721172018.db2.gz XJNRYKLHXJXFNP-HUUCEWRRSA-N 0 3 428.924 2.695 20 0 IFADHN c1nc2c(ncnc2N2CCN3C[C@@H](OCc4cccnc4)C[C@H]3C2)n1-c1ccccc1 ZINC001164880677 721173489 /nfs/dbraw/zinc/17/34/89/721173489.db2.gz WVOSUIJZFZPYSH-SFTDATJTSA-N 0 3 427.512 2.690 20 0 IFADHN COc1ccc(-c2ccc(N3C[C@@H]4CCN(Cc5cnn(C)c5)C[C@H]4C3)nn2)c(OC)c1 ZINC001164769191 721217691 /nfs/dbraw/zinc/21/76/91/721217691.db2.gz LVJDSDOUZMRHGQ-OALUTQOASA-N 0 3 434.544 2.853 20 0 IFADHN Cc1cc(N2C[C@@H]3CCN(Cc4cnn(C)c4)C[C@@H]3C2)nc(NC(=O)c2ccccc2)n1 ZINC001164760702 721229225 /nfs/dbraw/zinc/22/92/25/721229225.db2.gz GENLFGBQXZRTMP-LEWJYISDSA-N 0 3 431.544 2.729 20 0 IFADHN CN1CCC(Oc2ccnc(N(c3ccccn3)c3ccnc([C@@H]4COCCN4)n3)c2)CC1 ZINC001164877489 721330018 /nfs/dbraw/zinc/33/00/18/721330018.db2.gz UNNPXWPBXISWAD-FQEVSTJZSA-N 0 3 447.543 2.870 20 0 IFADHN CCOC(=O)c1cc2ccnc(N3CC[C@]4(C3)CCC[C@@H](CN3CCN(C)CC3)O4)c2[nH]1 ZINC001164889452 721404156 /nfs/dbraw/zinc/40/41/56/721404156.db2.gz QQEGXFVMWKGJDJ-CYFREDJKSA-N 0 3 441.576 2.505 20 0 IFADHN O=C(C[C@@H]1COC[C@H]2CN(c3ccc(CN4CCCC4)cn3)C[C@@H]21)N1CCC(F)CC1 ZINC001164896872 721478958 /nfs/dbraw/zinc/47/89/58/721478958.db2.gz YNDZGZRZJLNAAJ-KCZVDYSFSA-N 0 3 430.568 2.727 20 0 IFADHN CON(C)C(=O)c1cc(Cl)nc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c1 ZINC001164911492 721536624 /nfs/dbraw/zinc/53/66/24/721536624.db2.gz WVNQAFFWEAGANS-WMZOPIPTSA-N 0 3 434.899 2.849 20 0 IFADHN Fc1cccc(O[C@@H]2C[C@@H]3CN(c4nc(Cl)cc(O[C@H]5CCOC5)n4)CCN3C2)c1 ZINC001164907520 721566608 /nfs/dbraw/zinc/56/66/08/721566608.db2.gz NZBCIZXCDFBZJH-BPQIPLTHSA-N 0 3 434.899 2.779 20 0 IFADHN Cc1nc(CN2CCOC[C@@]3(CN(c4ncccc4CN4CCCC4)CCO3)C2)cs1 ZINC001164926850 721834158 /nfs/dbraw/zinc/83/41/58/721834158.db2.gz SQSAIXUDMVYEIG-QHCPKHFHSA-N 0 3 443.617 2.550 20 0 IFADHN CC(C)(C)C(=O)Nc1ccnc(N2CCN(C3CCCC3)CC2)c1CN1CC[C@H](CO)C1 ZINC001165031539 721858811 /nfs/dbraw/zinc/85/88/11/721858811.db2.gz BENOUVMUJLCJPK-IBGZPJMESA-N 0 3 443.636 2.945 20 0 IFADHN CN(C)Cc1ccnc(N2CCC(c3nc(-c4ccc(S(C)(=O)=O)cc4)no3)CC2)c1 ZINC001165032871 721876896 /nfs/dbraw/zinc/87/68/96/721876896.db2.gz GOXAXSZKUKWSMI-UHFFFAOYSA-N 0 3 441.557 2.981 20 0 IFADHN O=c1cc2[nH]c(N3CCC4(CC3)COCCN(Cc3ccncc3)C4)c(Cl)cc-2[nH]1 ZINC001164964886 722056937 /nfs/dbraw/zinc/05/69/37/722056937.db2.gz ZCASJMCNZVROQE-UHFFFAOYSA-N 0 3 427.936 2.744 20 0 IFADHN COc1cc2ncc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)nc2cc1OC ZINC001164980506 722113622 /nfs/dbraw/zinc/11/36/22/722113622.db2.gz RMMDKQCILFSYTG-MBSDFSHPSA-N 0 3 435.528 2.769 20 0 IFADHN FC(F)(c1nc(Cl)nc2[nH]cnc21)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164979744 722142472 /nfs/dbraw/zinc/14/24/72/722142472.db2.gz MCESPICWVGWFSD-CABCVRRESA-N 0 3 449.893 2.625 20 0 IFADHN COc1nnc(Cl)cc1C(F)(F)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164975441 722156033 /nfs/dbraw/zinc/15/60/33/722156033.db2.gz SVSXGMJFKRQJGL-NVXWUHKLSA-N 0 3 439.894 2.806 20 0 IFADHN FC(F)(Oc1cnc(Cl)cn1)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164972138 722156769 /nfs/dbraw/zinc/15/67/69/722156769.db2.gz FUXZVVDIQIZPQL-JKSUJKDBSA-N 0 3 425.867 2.677 20 0 IFADHN FC(F)(Oc1cnc(Cl)cn1)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164972136 722157138 /nfs/dbraw/zinc/15/71/38/722157138.db2.gz FUXZVVDIQIZPQL-HZPDHXFCSA-N 0 3 425.867 2.677 20 0 IFADHN COc1cc(C(F)(F)N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)nc(Cl)n1 ZINC001164971736 722157435 /nfs/dbraw/zinc/15/74/35/722157435.db2.gz FBAANJUNFDCDIL-JKSUJKDBSA-N 0 3 439.894 2.806 20 0 IFADHN CN(Cc1ccc(N2CC[C@]3(c4ccccc4)CCN(S(C)(=O)=O)[C@H]3C2)nc1)C1CC1 ZINC001164993451 722187279 /nfs/dbraw/zinc/18/72/79/722187279.db2.gz ZUGXDLGCGGKFMN-LADGPHEKSA-N 0 3 440.613 2.858 20 0 IFADHN O=C(NCc1ccncc1)C1=NO[C@@]2(C1)CCCN(c1ncccc1CN1CCCC1)C2 ZINC001164996890 722219062 /nfs/dbraw/zinc/21/90/62/722219062.db2.gz BVXNAGIPOJJUHX-XMMPIXPASA-N 0 3 434.544 2.504 20 0 IFADHN C[NH+](C)CCOCc1ncn2c1CN(C(F)(F)c1cc(Cl)nc(=S)[n-]1)CCC2 ZINC001165002583 722255435 /nfs/dbraw/zinc/25/54/35/722255435.db2.gz QVLHXXNHOMMYRS-UHFFFAOYSA-N 0 3 432.928 2.649 20 0 IFADHN FC(F)(Oc1cccc(COc2cncc(Cl)n2)c1)N1CC[C@@H]2NCCO[C@@H]2C1 ZINC001164388675 718825857 /nfs/dbraw/zinc/82/58/57/718825857.db2.gz DOJJFRUWWIACRU-JKSUJKDBSA-N 0 3 426.851 2.701 20 0 IFADHN CC1CCN(Cc2nc3sc4c(c3c(N3C[C@@H]5OCCN(C)[C@H]5C3)n2)CCC4)CC1 ZINC001164665938 719443627 /nfs/dbraw/zinc/44/36/27/719443627.db2.gz ABDSHFKASFTGAM-ROUUACIJSA-N 0 3 427.618 2.931 20 0 IFADHN CNC(=O)CN1CCCC12CCN(c1nc(Cl)ncc1OCc1ccccc1)CC2 ZINC001164685592 719721486 /nfs/dbraw/zinc/72/14/86/719721486.db2.gz MNIVGFTYYCFAHK-UHFFFAOYSA-N 0 3 429.952 2.890 20 0 IFADHN CNC(=O)CN1CCCC12CCN(c1cc(Oc3ccc(OC)cc3)nc(C)n1)CC2 ZINC001164689894 719751370 /nfs/dbraw/zinc/75/13/70/719751370.db2.gz NZCLADHUGVEMAO-UHFFFAOYSA-N 0 3 425.533 2.767 20 0 IFADHN Cc1nc(CN2CCCC23CCN(c2ccc(N4CCN(C)CC4)nn2)CC3)cs1 ZINC001164692938 719803953 /nfs/dbraw/zinc/80/39/53/719803953.db2.gz QQBGHWHEUBYXEA-UHFFFAOYSA-N 0 3 427.622 2.628 20 0 IFADHN c1nc2n(c1CN1CCCC1)CCN(c1ncnc3c1CCN(Cc1ccccc1)C3)CC2 ZINC001164727295 720561130 /nfs/dbraw/zinc/56/11/30/720561130.db2.gz CZPVSZDEBPWRHS-UHFFFAOYSA-N 0 3 443.599 2.890 20 0 IFADHN CC(C)N1[C@H](Cn2cccn2)C[C@@H]2CN(c3nc(Cl)ccc3S(C)(=O)=O)CC[C@@H]21 ZINC001164844096 720594313 /nfs/dbraw/zinc/59/43/13/720594313.db2.gz YPTQZQZJOJCJHG-IKGGRYGDSA-N 0 3 437.997 2.713 20 0 IFADHN O=C(c1ccccc1)n1ccc2ccc(N3CCN4C[C@@H](Oc5cncnc5)C[C@H]4C3)nc21 ZINC001164743971 720747833 /nfs/dbraw/zinc/74/78/33/720747833.db2.gz QSGQNRUTAQKBLD-SFTDATJTSA-N 0 3 440.507 2.857 20 0 IFADHN c1ccc2nc(N3CCN4C[C@@H](Oc5cncnc5)C[C@H]4C3)c(N3CCCCC3)nc2c1 ZINC001164742854 720754378 /nfs/dbraw/zinc/75/43/78/720754378.db2.gz OOAHVAYBTMJKFQ-OALUTQOASA-N 0 3 431.544 2.752 20 0 IFADHN c1ccc(-c2nc3ccccc3c(N3CCN4C[C@H](Oc5cncnc5)C[C@@H]4C3)n2)nc1 ZINC001164737155 720760438 /nfs/dbraw/zinc/76/04/38/720760438.db2.gz AEWBCZKMNZMIOG-QZTJIDSGSA-N 0 3 425.496 2.824 20 0 IFADHN c1cc2c(nc(-c3ccncc3)nc2N2CCN3C[C@H](Oc4cncnc4)C[C@H]3C2)s1 ZINC001164746706 720798692 /nfs/dbraw/zinc/79/86/92/720798692.db2.gz MSUVPDMUEZCVRY-DLBZAZTESA-N 0 3 431.525 2.885 20 0 IFADHN CCOC(=O)c1cc2ccc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nc2[n-]1 ZINC001164744712 720838916 /nfs/dbraw/zinc/83/89/16/720838916.db2.gz LHFNOVIVWXKUHT-SFHLNBCPSA-N 0 3 449.559 2.711 20 0 IFADHN CCOC(=O)c1cc2ccc(N3CC[C@@H]4[C@H](C[C@H](Cn5cncn5)[N@H+]4CC4CC4)C3)nc2[n-]1 ZINC001164744712 720838920 /nfs/dbraw/zinc/83/89/20/720838920.db2.gz LHFNOVIVWXKUHT-SFHLNBCPSA-N 0 3 449.559 2.711 20 0 IFADHN CCOC(=O)c1cc2ccc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@@H+]4CC4CC4)C3)nc2[n-]1 ZINC001164744713 720839151 /nfs/dbraw/zinc/83/91/51/720839151.db2.gz LHFNOVIVWXKUHT-SVFBPWRDSA-N 0 3 449.559 2.711 20 0 IFADHN CCOC(=O)c1cc2ccc(N3CC[C@@H]4[C@H](C[C@@H](Cn5cncn5)[N@H+]4CC4CC4)C3)nc2[n-]1 ZINC001164744713 720839154 /nfs/dbraw/zinc/83/91/54/720839154.db2.gz LHFNOVIVWXKUHT-SVFBPWRDSA-N 0 3 449.559 2.711 20 0 IFADHN CN(Cc1ccccn1)C(=O)[C@@H]1C[C@@H]2OCC[C@H]2N(c2ccc(CN3CCCC3)cn2)C1 ZINC001164757955 721016344 /nfs/dbraw/zinc/01/63/44/721016344.db2.gz GTMLVXDLCWYKRX-MZYLBHOOSA-N 0 3 435.572 2.715 20 0 IFADHN CCOC(=O)c1cc2cccnc2nc1N1CCN2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164867381 721086496 /nfs/dbraw/zinc/08/64/96/721086496.db2.gz YGBIRVTZZBGHNS-VQTJNVASSA-N 0 3 433.512 2.681 20 0 IFADHN COc1cc2nc(Cl)nc(N3C[C@H]4CN(Cc5cnn(C)c5)CC[C@@H]4C3)c2cc1OC ZINC001164771396 721108863 /nfs/dbraw/zinc/10/88/63/721108863.db2.gz SNQPUKCBPBZMEI-HZPDHXFCSA-N 0 3 442.951 2.992 20 0 IFADHN c1cncc(CO[C@H]2C[C@@H]3CN(c4nc(-c5ccncc5)nc5c4CCC5)CCN3C2)c1 ZINC001164875301 721167312 /nfs/dbraw/zinc/16/73/12/721167312.db2.gz KTUAQDBRGPUCJW-RTWAWAEBSA-N 0 3 428.540 2.902 20 0 IFADHN c1cncc(CO[C@@H]2C[C@H]3CN(c4nc(-c5ccncc5)nc5c4CCC5)CCN3C2)c1 ZINC001164875299 721168364 /nfs/dbraw/zinc/16/83/64/721168364.db2.gz KTUAQDBRGPUCJW-LEWJYISDSA-N 0 3 428.540 2.902 20 0 IFADHN Cn1cc(CN2CC[C@H]3CN(c4ccc(-c5ccc6c(c5)OCCCO6)nn4)C[C@H]3C2)cn1 ZINC001164764940 721215034 /nfs/dbraw/zinc/21/50/34/721215034.db2.gz HHEBUCSYFJRDML-LEWJYISDSA-N 0 3 446.555 2.997 20 0 IFADHN COc1ccc(OC)c(-c2ccc(N3C[C@@H]4CCN(Cc5cnn(C)c5)C[C@H]4C3)nn2)c1 ZINC001164765754 721217714 /nfs/dbraw/zinc/21/77/14/721217714.db2.gz IFOJMDFGJJXDBA-OALUTQOASA-N 0 3 434.544 2.853 20 0 IFADHN CCOC(=O)c1c(C)cc(N2CC[C@]3(C2)CCC[C@@H](CN2CCN(C)CC2)O3)nc1C ZINC001164884660 721419630 /nfs/dbraw/zinc/41/96/30/721419630.db2.gz FHAFHYJUVHTKHN-RDPSFJRHSA-N 0 3 430.593 2.641 20 0 IFADHN CCOC(=O)c1cc2ccc(N3CC[C@@]4(C3)CCC[C@H](CN3CCN(C)CC3)O4)[nH]c-2n1 ZINC001164885269 721424596 /nfs/dbraw/zinc/42/45/96/721424596.db2.gz GLIBBGYJDOHNEI-NTKDMRAZSA-N 0 3 441.576 2.505 20 0 IFADHN CCOC(=O)Cc1c(Cl)ncnc1N1CCN2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164902616 721536099 /nfs/dbraw/zinc/53/60/99/721536099.db2.gz AMXRLGWASYSIMA-WBVHZDCISA-N 0 3 434.899 2.717 20 0 IFADHN CON(C)C(=O)c1cc(Cl)nc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c1 ZINC001164911488 721536383 /nfs/dbraw/zinc/53/63/83/721536383.db2.gz WVNQAFFWEAGANS-SJLPKXTDSA-N 0 3 434.899 2.849 20 0 IFADHN CON(C)C(=O)c1cc(Cl)nc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c1 ZINC001164911484 721536798 /nfs/dbraw/zinc/53/67/98/721536798.db2.gz WVNQAFFWEAGANS-AEFFLSMTSA-N 0 3 434.899 2.849 20 0 IFADHN COC(=O)c1c[nH]c2nc(Cl)nc(N3CCN4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)c12 ZINC001164907550 721550846 /nfs/dbraw/zinc/55/08/46/721550846.db2.gz OHKBTWSTVKTGJD-UKRRQHHQSA-N 0 3 445.882 2.879 20 0 IFADHN COC(=O)c1c[nH]c2nc(Cl)nc(N3CCN4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)c12 ZINC001164907549 721550886 /nfs/dbraw/zinc/55/08/86/721550886.db2.gz OHKBTWSTVKTGJD-HIFRSBDPSA-N 0 3 445.882 2.879 20 0 IFADHN COc1nc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)nc(N2CCCCCC2)n1 ZINC001164905907 721552398 /nfs/dbraw/zinc/55/23/98/721552398.db2.gz HZJILNGUQBLOLN-ICSRJNTNSA-N 0 3 442.539 2.742 20 0 IFADHN Fc1cnc(N2CCOC[C@@]3(CCCN(c4ccc(CN5CCCC5)cn4)C3)C2)nc1 ZINC001164919765 721846278 /nfs/dbraw/zinc/84/62/78/721846278.db2.gz CPPBIVXVICJXMK-HSZRJFAPSA-N 0 3 426.540 2.730 20 0 IFADHN CCOC(=O)c1nc2ccccc2c(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164985798 722102867 /nfs/dbraw/zinc/10/28/67/722102867.db2.gz WUEWLRBZNGPYNL-UGKGYDQZSA-N 0 3 447.539 2.929 20 0 IFADHN COC(=O)c1ccc2c(c1)ncnc2N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164975377 722104120 /nfs/dbraw/zinc/10/41/20/722104120.db2.gz BQEQBNFRHRGDKH-DENIHFKCSA-N 0 3 433.512 2.539 20 0 IFADHN CC(C)(C)OC(=O)Nc1nccc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164982725 722109842 /nfs/dbraw/zinc/10/98/42/722109842.db2.gz XTZOUBHKEIEWCN-RTBURBONSA-N 0 3 440.548 2.946 20 0 IFADHN CCOC(=O)c1cnc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)cc1OCC ZINC001164981470 722115517 /nfs/dbraw/zinc/11/55/17/722115517.db2.gz UCKBSKIFPCDAFJ-SIKLNZKXSA-N 0 3 440.544 2.779 20 0 IFADHN CCOC(=O)c1cnc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)cc1OCC ZINC001164981468 722115890 /nfs/dbraw/zinc/11/58/90/722115890.db2.gz UCKBSKIFPCDAFJ-KNQAVFIVSA-N 0 3 440.544 2.779 20 0 IFADHN COC(=O)c1c(Cl)cnc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)c1OC ZINC001164974245 722135867 /nfs/dbraw/zinc/13/58/67/722135867.db2.gz CQVFWYWGAGHQAM-WMZOPIPTSA-N 0 3 446.935 2.653 20 0 IFADHN FC(F)(c1nc2[nH]cnc2c(Cl)n1)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164975092 722142604 /nfs/dbraw/zinc/14/26/04/722142604.db2.gz DVLCHMCKQZANRC-LSDHHAIUSA-N 0 3 449.893 2.625 20 0 IFADHN FC(F)(COc1cncc(Cl)n1)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164976064 722144236 /nfs/dbraw/zinc/14/42/36/722144236.db2.gz GXZFTFZNUFBKAO-IAGOWNOFSA-N 0 3 439.894 2.720 20 0 IFADHN O=C(NC1CCN(Cc2ccccc2)CC1)[C@@H]1CCCN1S(=O)(=O)c1ccccc1 ZINC000028895317 563068705 /nfs/dbraw/zinc/06/87/05/563068705.db2.gz WORWCSHAOQJOBW-QFIPXVFZSA-N 0 3 427.570 2.621 20 0 IFADHN O=C(OCc1ccccc1)c1cnc(Cl)nc1C(F)(F)N1CC[C@H]2NCCO[C@@H]2C1 ZINC001164390962 718821130 /nfs/dbraw/zinc/82/11/30/718821130.db2.gz RYKQRZWCXQCUIX-HZPDHXFCSA-N 0 3 438.862 2.599 20 0 IFADHN CCOC(=O)c1sc2nc(CN3CCOCC3)nc(N3C[C@@H](C)N(C)C[C@@H]3C)c2c1C ZINC001164637228 719238098 /nfs/dbraw/zinc/23/80/98/719238098.db2.gz UVXMYZZHIDSCFM-CABCVRRESA-N 0 3 447.605 2.537 20 0 IFADHN CC1CCN(Cc2nc3sc4c(c3c(N3C[C@H]5OCCN(C)[C@H]5C3)n2)CCC4)CC1 ZINC001164665942 719443839 /nfs/dbraw/zinc/44/38/39/719443839.db2.gz ABDSHFKASFTGAM-ZWKOTPCHSA-N 0 3 427.618 2.931 20 0 IFADHN COC(=O)c1nc(Cl)ccc1C(F)(F)n1nc(CN(C)C(C)C)c2c1CNCC2 ZINC001164684861 719619206 /nfs/dbraw/zinc/61/92/06/719619206.db2.gz YEWQNOLBRAIKOZ-UHFFFAOYSA-N 0 3 427.883 2.802 20 0 IFADHN CC(C)N(C)Cc1nn([C@@](F)(COc2cncc(Cl)n2)C(F)F)c2c1CCNC2 ZINC001164680561 719643775 /nfs/dbraw/zinc/64/37/75/719643775.db2.gz WBPLONQJXWXOFW-SFHVURJKSA-N 0 3 432.878 2.779 20 0 IFADHN CNC(=O)CN1CCCC12CCN(c1cncc(OCc3cccc(Cl)c3)n1)CC2 ZINC001164689811 719751895 /nfs/dbraw/zinc/75/18/95/719751895.db2.gz KBLNWALVXNEHRP-UHFFFAOYSA-N 0 3 429.952 2.890 20 0 IFADHN CCN1CCCC[C@@H]1c1ccc(N2CC[C@H](N3CCOCC3)C[C@@]2(C)C(=O)OC)nc1 ZINC001164703701 719876690 /nfs/dbraw/zinc/87/66/90/719876690.db2.gz KFIIETLZZGTNIA-IMSXRSKXSA-N 0 3 430.593 2.861 20 0 IFADHN CCN1CCCC[C@@H]1c1ccc(N2CC[C@@H](N3CCOCC3)C[C@@]2(C)C(=O)OC)nc1 ZINC001164703702 719876787 /nfs/dbraw/zinc/87/67/87/719876787.db2.gz KFIIETLZZGTNIA-LGVFNWMJSA-N 0 3 430.593 2.861 20 0 IFADHN CN1CCN(c2cccc(N3CCC4(CC3)CN(Cc3cccs3)CCO4)n2)CC1 ZINC001164699151 719895165 /nfs/dbraw/zinc/89/51/65/719895165.db2.gz XTQDBSRUTLRAMJ-UHFFFAOYSA-N 0 3 427.618 2.766 20 0 IFADHN COC(=O)c1cc2c(nc(Cl)nc2N2CC[C@H]3[C@H]2CCN3Cc2cccnc2)n1C ZINC001164731514 720428268 /nfs/dbraw/zinc/42/82/68/720428268.db2.gz LITDLMFUPVULHS-JKSUJKDBSA-N 0 3 426.908 2.657 20 0 IFADHN COC(=O)c1ccc(-c2ccc(N3CCN4C[C@@H](Oc5cncnc5)C[C@@H]4C3)nc2C)cc1 ZINC001164738132 720750482 /nfs/dbraw/zinc/75/04/82/720750482.db2.gz DTXVIDFZXQYXKI-RTWAWAEBSA-N 0 3 445.523 2.976 20 0 IFADHN O=C(NCc1ccccn1)[C@@H]1CCO[C@H]2CCN(c3ccc(CN4CCCC4)cn3)C[C@H]12 ZINC001164760939 721022006 /nfs/dbraw/zinc/02/20/06/721022006.db2.gz REHATIIEPLCNBP-ZLNRFVROSA-N 0 3 435.572 2.620 20 0 IFADHN CN(Cc1ccc(N2CC[C@@H]3OCC[C@@H](C(=O)NCc4ccccn4)[C@H]3C2)nc1)C1CC1 ZINC001164762384 721022367 /nfs/dbraw/zinc/02/23/67/721022367.db2.gz VISAMLYELPSWAV-ZLNRFVROSA-N 0 3 435.572 2.619 20 0 IFADHN O=C(NCc1ccccc1)c1cccnc1N1CCN2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164868152 721054072 /nfs/dbraw/zinc/05/40/72/721054072.db2.gz NDUCHYMPJHXNIP-GOTSBHOMSA-N 0 3 443.551 2.886 20 0 IFADHN CC(C)(C)OC(=O)Nc1nccc(N2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)n1 ZINC001164867966 721071632 /nfs/dbraw/zinc/07/16/32/721071632.db2.gz LLSNDNSQKBAADB-MSOLQXFVSA-N 0 3 426.521 2.698 20 0 IFADHN CCOC(=O)c1ccc2ncnc(N3CCN4C[C@@H](OCc5cccnc5)C[C@@H]4C3)c2c1 ZINC001164864502 721088682 /nfs/dbraw/zinc/08/86/82/721088682.db2.gz GCYZVMHBVLRCBZ-UXHICEINSA-N 0 3 433.512 2.681 20 0 IFADHN CC(C)n1cnc2c1nc(Cl)nc2N1CCN2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164865802 721117767 /nfs/dbraw/zinc/11/77/67/721117767.db2.gz PQDXWWCRHGLDQV-DLBZAZTESA-N 0 3 427.940 2.935 20 0 IFADHN C[C@@H]1CCCN(C(=O)c2ccc(N3CCN4C[C@H](OCc5cccnc5)C[C@H]4C3)nc2)C1 ZINC001164880978 721140648 /nfs/dbraw/zinc/14/06/48/721140648.db2.gz YMLSUBKEQVDMNU-WTIAFYNJSA-N 0 3 435.572 2.828 20 0 IFADHN C[C@@H]1CCCN(C(=O)c2ccc(N3CCN4C[C@@H](OCc5cccnc5)C[C@H]4C3)nc2)C1 ZINC001164880975 721140808 /nfs/dbraw/zinc/14/08/08/721140808.db2.gz YMLSUBKEQVDMNU-OIBXWCBGSA-N 0 3 435.572 2.828 20 0 IFADHN CC1CCN(C(=O)c2cccnc2N2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)CC1 ZINC001164873640 721141928 /nfs/dbraw/zinc/14/19/28/721141928.db2.gz JOQCVPHASQDRCA-FGZHOGPDSA-N 0 3 435.572 2.828 20 0 IFADHN Cc1cc(N2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)nc(NC(=O)c2ccccc2)n1 ZINC001164878444 721174120 /nfs/dbraw/zinc/17/41/20/721174120.db2.gz QDTJEJVKPURURF-FCHUYYIVSA-N 0 3 444.539 2.912 20 0 IFADHN COc1ccc(OC)c(-c2ccc(N3C[C@@H]4CCN(Cc5cnn(C)c5)C[C@@H]4C3)nn2)c1 ZINC001164765758 721217109 /nfs/dbraw/zinc/21/71/09/721217109.db2.gz IFOJMDFGJJXDBA-RBUKOAKNSA-N 0 3 434.544 2.853 20 0 IFADHN Cc1cc(N2C[C@H]3CCN(Cc4cnn(C)c4)C[C@H]3C2)nc(NC(=O)c2ccccc2)n1 ZINC001164760704 721228425 /nfs/dbraw/zinc/22/84/25/721228425.db2.gz GENLFGBQXZRTMP-RTWAWAEBSA-N 0 3 431.544 2.729 20 0 IFADHN Cc1cc(N2C[C@H]3CN(Cc4cnn(C)c4)CC[C@@H]3C2)nc(NC(=O)c2ccccc2)n1 ZINC001164760703 721228457 /nfs/dbraw/zinc/22/84/57/721228457.db2.gz GENLFGBQXZRTMP-NHCUHLMSSA-N 0 3 431.544 2.729 20 0 IFADHN CCN(CC)S(=O)(=O)c1ccc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)nc1 ZINC001164903136 721553511 /nfs/dbraw/zinc/55/35/11/721553511.db2.gz AYLYHHQYPCGOTG-AZUAARDMSA-N 0 3 448.564 2.593 20 0 IFADHN O=C(NC1CCCC1)c1ccc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)nn1 ZINC001164909951 721559524 /nfs/dbraw/zinc/55/95/24/721559524.db2.gz VULWGUUPSIBYLR-UYAOXDASSA-N 0 3 425.508 2.630 20 0 IFADHN CCCNC(=O)c1cc(Cl)nc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164909257 721567867 /nfs/dbraw/zinc/56/78/67/721567867.db2.gz UBVWPOUNGXALSD-RDJZCZTQSA-N 0 3 433.915 2.751 20 0 IFADHN Fc1cnc(N2CCOC[C@@]3(CCCN(c4ncccc4CN4CCCC4)C3)C2)nc1 ZINC001164923736 721846614 /nfs/dbraw/zinc/84/66/14/721846614.db2.gz VNJNTVHJCQYIST-HSZRJFAPSA-N 0 3 426.540 2.730 20 0 IFADHN COc1cc2ncnc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)c2cc1OC ZINC001164983955 722105554 /nfs/dbraw/zinc/10/55/54/722105554.db2.gz RJSKKACLVPEZTE-WZONZLPQSA-N 0 3 435.528 2.769 20 0 IFADHN CCOC(=O)c1cc2ccnc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)c2[nH]1 ZINC001164976380 722111032 /nfs/dbraw/zinc/11/10/32/722111032.db2.gz LMJLLJNMSUPMNE-CTNGQTDRSA-N 0 3 435.528 2.862 20 0 IFADHN COC(=O)c1c(Cl)cnc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)c1OC ZINC001164974238 722135859 /nfs/dbraw/zinc/13/58/59/722135859.db2.gz CQVFWYWGAGHQAM-AEFFLSMTSA-N 0 3 446.935 2.653 20 0 IFADHN