smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCC[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2CCn2ccnc2C)CCN1CCOC ZINC001306623165 1069313760 /nfs/dbraw/zinc/31/37/60/1069313760.db2.gz RJHDCNUKSRNIBB-HXUWFJFHSA-N 0 3 490.027 3.880 20 0 JHADHN CCC[C@H]1CN(c2nnc(-c3cccc(C)n3)n2Cc2ccc(NC(C)=O)cc2)CCN1CCOC ZINC001306623477 1069315307 /nfs/dbraw/zinc/31/53/07/1069315307.db2.gz JBEQJBVAXBYDAO-DEOSSOPVSA-N 0 3 491.640 3.592 20 0 JHADHN CCC[C@@H]1CN(c2nnc(-c3ccccc3F)n2C[C@H]2CCC[C@@H]2OC)CCN1CCOC ZINC001306639864 1069350912 /nfs/dbraw/zinc/35/09/12/1069350912.db2.gz CZNJWTLDSFSJOL-VIZSFHNOSA-N 0 3 459.610 3.836 20 0 JHADHN CCCCCn1c(-c2cccc(Br)c2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001306641806 1069352962 /nfs/dbraw/zinc/35/29/62/1069352962.db2.gz REEYXSQWGGHYNC-HXUWFJFHSA-N 0 3 489.462 3.641 20 0 JHADHN Cc1cccc(N2CCN(CCCCNC(=O)NC[C@@H](CO)c3ccc(Cl)cc3)CC2)c1 ZINC001311380337 1069353761 /nfs/dbraw/zinc/35/37/61/1069353761.db2.gz KROOQIPJRHUHKY-QFIPXVFZSA-N 0 3 459.034 3.626 20 0 JHADHN CCC[C@H]1CN(c2nnc(-c3ccccc3OC)n2Cc2cnc(C)s2)CCN1CCOC ZINC001306644069 1069355317 /nfs/dbraw/zinc/35/53/17/1069355317.db2.gz JEKFDVNVWQLWRO-IBGZPJMESA-N 0 3 470.643 3.704 20 0 JHADHN CC[C@H](CNC(=O)N1C[C@@H]2CCC[C@@]2(NC(=O)OC(C)(C)C)C1)N1CCc2ccccc2C1 ZINC001311397638 1069360960 /nfs/dbraw/zinc/36/09/60/1069360960.db2.gz VLTCMGSFBUZTSI-VVZHRXSXSA-N 0 3 456.631 3.912 20 0 JHADHN Cc1cccc(CNC(=O)NCCCN2CCN(Cc3ccccc3)CC2)c1Br ZINC001311422310 1069370299 /nfs/dbraw/zinc/37/02/99/1069370299.db2.gz CXOFEHOIRMLUEA-UHFFFAOYSA-N 0 3 459.432 3.765 20 0 JHADHN Cc1ccc(CNC(=O)NCCCN2CCN(C)C[C@@H]2c2ccccc2)cc1Br ZINC001311421647 1069369386 /nfs/dbraw/zinc/36/93/86/1069369386.db2.gz FQRIWXGWDHEGKQ-JOCHJYFZSA-N 0 3 459.432 3.936 20 0 JHADHN O=C(NCCCN1CCN(Cc2ccccc2)CC1)NCC(F)(F)c1ccc(F)cc1F ZINC001311422752 1069370908 /nfs/dbraw/zinc/37/09/08/1069370908.db2.gz GJHKYOPTUSYQMJ-UHFFFAOYSA-N 0 3 452.496 3.564 20 0 JHADHN CCCCCn1cc(Cn2c(-c3cccn3C)nnc2N2C[C@@H](C)N(CC)C[C@@H]2C)c(C)n1 ZINC001306657420 1069371024 /nfs/dbraw/zinc/37/10/24/1069371024.db2.gz ZQTMJSAURCUMMU-UXHICEINSA-N 0 3 452.651 3.946 20 0 JHADHN O=C(NCC1CCN(Cc2ccccc2Cl)CC1)NC1CCN(Cc2ccccn2)CC1 ZINC001311479669 1069397171 /nfs/dbraw/zinc/39/71/71/1069397171.db2.gz DDXICKSIUNHNJD-UHFFFAOYSA-N 0 3 456.034 3.911 20 0 JHADHN O=C(NCc1ccc(COc2ccccc2)cc1)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC001311487001 1069400756 /nfs/dbraw/zinc/40/07/56/1069400756.db2.gz GEWMMXITNYXTIW-VPUSJEBWSA-N 0 3 459.590 3.948 20 0 JHADHN CN1CCN(Cc2ccc(CNC(=O)N[C@@H]3CCO[C@H]3c3ccc(Cl)c(F)c3)cc2)CC1 ZINC001311497365 1069407182 /nfs/dbraw/zinc/40/71/82/1069407182.db2.gz PWGMRMUACXGYEP-PKTZIBPZSA-N 0 3 460.981 3.556 20 0 JHADHN CCCCN(C)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(C(C)C)CC1 ZINC001306682694 1069414806 /nfs/dbraw/zinc/41/48/06/1069414806.db2.gz MAWPOSXHCXDDQF-UHFFFAOYSA-N 0 3 461.676 3.953 20 0 JHADHN CN(C)[C@H](CNC(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)c1ccccc1)Cc1ccccc1 ZINC001311567237 1069440835 /nfs/dbraw/zinc/44/08/35/1069440835.db2.gz GEIXVJTXUXMHQU-UIOOFZCWSA-N 0 3 458.606 3.733 20 0 JHADHN CCc1ccc([C@H](CNC(=O)NCc2cc(OC)c(O)cc2Br)N(C)C)cc1 ZINC001311571052 1069442755 /nfs/dbraw/zinc/44/27/55/1069442755.db2.gz ISVHOODQXUQTLO-SFHVURJKSA-N 0 3 450.377 3.828 20 0 JHADHN CN(C)[C@H](CNC(=O)N1CCO[C@H](c2cccc(OC(F)(F)F)c2)C1)Cc1ccccc1 ZINC001311571474 1069443275 /nfs/dbraw/zinc/44/32/75/1069443275.db2.gz LNCCYALURHMPOQ-FPOVZHCZSA-N 0 3 451.489 3.841 20 0 JHADHN C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)NCC2(N3CCSCC3)CCCC2)C1 ZINC001311583574 1069449946 /nfs/dbraw/zinc/44/99/46/1069449946.db2.gz KOGKTBKSIVJIKF-MOPGFXCFSA-N 0 3 454.681 3.683 20 0 JHADHN O=C(NCC1(N2CCSCC2)CCCC1)N1CCO[C@@H](c2cccc(OC(F)F)c2)C1 ZINC001311584929 1069451147 /nfs/dbraw/zinc/45/11/47/1069451147.db2.gz UWXFRPKHOHQRHM-LJQANCHMSA-N 0 3 455.571 3.733 20 0 JHADHN CCCCn1cc(Cn2c(N3C[C@H](C)N(CC)C[C@@H]3C)nnc2[C@@]2(OC(C)C)CCOC2)c(C)n1 ZINC001306721055 1069456744 /nfs/dbraw/zinc/45/67/44/1069456744.db2.gz PGOLFLVMDFDGIZ-ISJBWFOZSA-N 0 3 487.693 3.591 20 0 JHADHN CCCCNC(=O)[C@@H]1CCCN(c2nnc(-c3ccccn3)n2C[C@@H](c2cccc(F)c2)N(C)C)C1 ZINC001306740876 1069514671 /nfs/dbraw/zinc/51/46/71/1069514671.db2.gz WLCOPPWJKJWDGO-QPPBQGQZSA-N 0 3 493.631 3.915 20 0 JHADHN CCN(CC)[C@@H](CNC(=O)N1CC[C@H](CN2CCCC2=O)C1)c1ccc(C(F)(F)F)cc1 ZINC001311719620 1069518377 /nfs/dbraw/zinc/51/83/77/1069518377.db2.gz WQBXNKVNDJBJLN-XLIONFOSSA-N 0 3 454.537 3.742 20 0 JHADHN COC(=O)c1cnc([C@@H]2CCCN(C(=O)NC[C@H](c3ccc(C)cc3)N3CCCC3)C2)s1 ZINC001311764190 1069537741 /nfs/dbraw/zinc/53/77/41/1069537741.db2.gz DXLRJBZXGXKMJX-WOJBJXKFSA-N 0 3 456.612 3.964 20 0 JHADHN CCCN(CCN1CCCCC1)C(=O)NCCC(=O)Nc1ccc(Br)cc1C ZINC001311796433 1069549714 /nfs/dbraw/zinc/54/97/14/1069549714.db2.gz AQYZBNKRBNMWNJ-UHFFFAOYSA-N 0 3 453.425 3.994 20 0 JHADHN CCCN(CC)c1nnc(-c2cc3ccccc3o2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001306791110 1069597538 /nfs/dbraw/zinc/59/75/38/1069597538.db2.gz MVIUDNXJQDSAEH-HXUWFJFHSA-N 0 3 452.603 3.870 20 0 JHADHN CCCN(CC)c1nnc([C@H]2OCC[C@H]2COC)n1CC1(N2CCSCC2)CCCC1 ZINC001306800747 1069605751 /nfs/dbraw/zinc/60/57/51/1069605751.db2.gz LPEHRFNNIIBYJT-PMACEKPBSA-N 0 3 451.681 3.600 20 0 JHADHN CC(=O)Nc1ccc(CN2CCC(NC(=O)NCCc3nc(C(C)(C)C)cs3)CC2)cc1 ZINC001311904941 1069607823 /nfs/dbraw/zinc/60/78/23/1069607823.db2.gz JHAAZUMIJUQBKP-UHFFFAOYSA-N 0 3 457.644 3.905 20 0 JHADHN C[C@H](CNC(=O)NCC1(N2CCOC(C)(C)C2)CCCCC1)CN(C)C(=O)OC(C)(C)C ZINC001311931420 1069619317 /nfs/dbraw/zinc/61/93/17/1069619317.db2.gz YWLCWWDTVYIFSY-LJQANCHMSA-N 0 3 454.656 3.602 20 0 JHADHN CCCN(Cc1ccc(F)cc1F)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H](C)CN1CCCC1 ZINC001306812316 1069633005 /nfs/dbraw/zinc/63/30/05/1069633005.db2.gz HAYIKSNUTCFWCG-UYAOXDASSA-N 0 3 495.640 3.607 20 0 JHADHN CCCN(Cc1ccc(F)cc1F)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@@H](C)CN1CCCC1 ZINC001306812312 1069633048 /nfs/dbraw/zinc/63/30/48/1069633048.db2.gz HAYIKSNUTCFWCG-ICSRJNTNSA-N 0 3 495.640 3.607 20 0 JHADHN CCn1cc(C(=O)NCc2ccccc2CN2CCC[C@@H]2CO)c(=O)c2cc(Cl)ccc21 ZINC001306824946 1069645256 /nfs/dbraw/zinc/64/52/56/1069645256.db2.gz XEOZVLVEFMYKGH-HXUWFJFHSA-N 0 3 453.970 3.562 20 0 JHADHN CCOc1cc(CCCn2c(C(C)C)nnc2N2CCN(C3CCOCC3)CC2)ccc1OC ZINC001314160814 1069645334 /nfs/dbraw/zinc/64/53/34/1069645334.db2.gz FUCMURQBRDUKSO-UHFFFAOYSA-N 0 3 471.646 3.743 20 0 JHADHN CCOc1cc(CCCn2c([C@H]3CCOC3)nnc2N2CCN(C(C)(C)C)CC2)ccc1OC ZINC001314160873 1069645976 /nfs/dbraw/zinc/64/59/76/1069645976.db2.gz HCWQUJZBEUDHOS-NRFANRHFSA-N 0 3 471.646 3.743 20 0 JHADHN CCOc1cc(Cn2c([C@H]3CCOC3)nnc2N2CCN(CCC(C)(C)C)CC2)ccc1OC ZINC001314162660 1069652964 /nfs/dbraw/zinc/65/29/64/1069652964.db2.gz CBZJGTKDSAVIEP-NRFANRHFSA-N 0 3 471.646 3.796 20 0 JHADHN CCOc1ccccc1[C@](N)(C(=O)N1CCN(c2ccnc3ccccc32)CC1)C(F)(F)F ZINC001306841057 1069654290 /nfs/dbraw/zinc/65/42/90/1069654290.db2.gz ORKQSDRQCQLELH-QHCPKHFHSA-N 0 3 458.484 3.699 20 0 JHADHN CCOc1ccc(-c2nnc(N3C[C@@H](C)N(CC)C[C@@H]3C)n2CCCn2cccn2)cc1OC ZINC001314167163 1069668285 /nfs/dbraw/zinc/66/82/85/1069668285.db2.gz DDSHFIHLTXHLEZ-UXHICEINSA-N 0 3 467.618 3.558 20 0 JHADHN CCOc1ccc(-c2nnc(N3C[C@H](C)N(CC)C[C@H]3C)n2C[C@@H]2CC=CCO2)cc1OC ZINC001314167356 1069668916 /nfs/dbraw/zinc/66/89/16/1069668916.db2.gz FVODCGOOYRHPLC-ZVDOUQERSA-N 0 3 455.603 3.616 20 0 JHADHN CCOc1ccc(-c2nnc(N3C[C@@H](C)N(CC)C[C@@H]3C)n2Cc2nnc(CC)s2)cc1OC ZINC001314170080 1069679334 /nfs/dbraw/zinc/67/93/34/1069679334.db2.gz YCODBQBOBMUKBZ-SJORKVTESA-N 0 3 485.658 3.734 20 0 JHADHN CCOc1ccc(-c2nnc(N3CCC(C)(COC)CC3)n2CCN2CC=CCC2)cc1OC ZINC001314171550 1069685947 /nfs/dbraw/zinc/68/59/47/1069685947.db2.gz ANCZQMHQMXTPCX-UHFFFAOYSA-N 0 3 469.630 3.867 20 0 JHADHN CCOc1ccc(-c2nnc(N3CCC[C@H]3CSC)n2CCN2CC=CCC2)cc1OC ZINC001314177673 1069711768 /nfs/dbraw/zinc/71/17/68/1069711768.db2.gz VNKZJSPGQYUEGA-FQEVSTJZSA-N 0 3 457.644 3.946 20 0 JHADHN CCOc1ccc([C@H]2CCCN2c2nnc([C@H]3CCS(=O)(=O)C3)n2CCN(CC)C(C)C)cc1 ZINC001314179986 1069721339 /nfs/dbraw/zinc/72/13/39/1069721339.db2.gz ASJKTRFIDMOOGU-JTHBVZDNSA-N 0 3 489.686 3.651 20 0 JHADHN CC[C@@H]1Oc2cc([C@@H](C)NC(=O)N(CCN(C)C)Cc3cccc(OC)c3)ccc2NC1=O ZINC001312135086 1069740938 /nfs/dbraw/zinc/74/09/38/1069740938.db2.gz MPFWAMSCHFKVGM-VGSWGCGISA-N 0 3 454.571 3.639 20 0 JHADHN COc1cccc(C(NC(=O)N2CCN(C3CCOCC3)C[C@H]2C)c2cccc(OC)c2)c1 ZINC001312166559 1069761201 /nfs/dbraw/zinc/76/12/01/1069761201.db2.gz HOZVVVQIURMWMX-LJQANCHMSA-N 0 3 453.583 3.688 20 0 JHADHN CC(C)[C@H]1CN(C(=O)NCC2(CN3CCOCC3)CCCCC2)CCN1Cc1ccccc1 ZINC001312176973 1069767038 /nfs/dbraw/zinc/76/70/38/1069767038.db2.gz DVCSKAXPTCWJGU-RUZDIDTESA-N 0 3 456.675 3.821 20 0 JHADHN CC1(C)[C@@H](NC(=O)NCc2ccccc2CN2CCC(O)CC2)C[C@@H]1OCc1ccccc1 ZINC001312205277 1069780011 /nfs/dbraw/zinc/78/00/11/1069780011.db2.gz KZKJSUYHWZDVFY-DQEYMECFSA-N 0 3 451.611 3.826 20 0 JHADHN C[C@@H]1C[C@@H](NC(=O)N2CC[C@@H](O)[C@H]2c2ccc(Br)cc2)CN1Cc1ccccc1 ZINC001312256537 1069815333 /nfs/dbraw/zinc/81/53/33/1069815333.db2.gz VPHBCNIODQHKIA-XUFNMVPLSA-N 0 3 458.400 3.929 20 0 JHADHN CCOc1cccc(CCn2c([C@H]3OCC[C@H]3COC)nnc2N2C[C@H](C)N(CC)C[C@@H]2C)c1 ZINC001314206429 1069817914 /nfs/dbraw/zinc/81/79/14/1069817914.db2.gz JSOMHWRNWQXSJG-QDNNMPSSSA-N 0 3 471.646 3.562 20 0 JHADHN CC[C@H](C)N[C@H](CNC(=O)NC[C@@H]1[C@@H](C)OC(C)(C)N1C(=O)OC(C)(C)C)c1ccco1 ZINC001312269315 1069826423 /nfs/dbraw/zinc/82/64/23/1069826423.db2.gz CSUIGVPNAXGPIX-BSDSXHPESA-N 0 3 452.596 3.769 20 0 JHADHN CC(C)Oc1ccc([C@H](CNC(=O)N[C@H]2CCCN(c3ccccc3F)C2=O)N(C)C)cc1 ZINC001312308869 1069853306 /nfs/dbraw/zinc/85/33/06/1069853306.db2.gz DOMSBRXMBKYJPD-GMAHTHKFSA-N 0 3 456.562 3.710 20 0 JHADHN CCOc1ccccc1OCc1nnc(N2CCN(C(C)(C)C)CC2)n1Cc1nc(C)cs1 ZINC001314227246 1069901215 /nfs/dbraw/zinc/90/12/15/1069901215.db2.gz KXOOELKXLWYNNY-UHFFFAOYSA-N 0 3 470.643 3.990 20 0 JHADHN CN1CCC[C@@H]2[C@@H]1CCN2C(=O)NCCOc1ccc(Br)cc1C(F)(F)F ZINC001312425095 1069928225 /nfs/dbraw/zinc/92/82/25/1069928225.db2.gz GQAXLLIAHKZBBP-LSDHHAIUSA-N 0 3 450.299 3.725 20 0 JHADHN CC(=O)Nc1ccc(CN2CCC(NC(=O)NC3CC(OCc4ccccc4)C3)CC2)cc1 ZINC001312459467 1069952337 /nfs/dbraw/zinc/95/23/37/1069952337.db2.gz YMEPFBGRCQZFKW-UHFFFAOYSA-N 0 3 450.583 3.656 20 0 JHADHN Cc1ccc(CNC(=O)C2CCN(Cc3ccc(OCc4nccn4C)cc3)CC2)cc1F ZINC001307413652 1069972475 /nfs/dbraw/zinc/97/24/75/1069972475.db2.gz FDXXQTBBLQCEHH-UHFFFAOYSA-N 0 3 450.558 3.975 20 0 JHADHN Cc1cccc(Cl)c1NC(=O)[C@H](C)N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC001307439367 1069985094 /nfs/dbraw/zinc/98/50/94/1069985094.db2.gz XBKRVNITXSYFBD-SFTDATJTSA-N 0 3 456.034 3.905 20 0 JHADHN CN(CCC1CCCCC1)CC(=O)N1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1 ZINC001307446524 1069987983 /nfs/dbraw/zinc/98/79/83/1069987983.db2.gz RRLJQIDWEIPBLM-UHFFFAOYSA-N 0 3 457.640 3.575 20 0 JHADHN COc1cc(CN(C)CCC(=O)Nc2ccc(C(N)=O)c(Cl)c2)c(SC)cc1OC ZINC001307485020 1070011479 /nfs/dbraw/zinc/01/14/79/1070011479.db2.gz AISITUVKVCPLDT-UHFFFAOYSA-N 0 3 451.976 3.639 20 0 JHADHN CCN(C[C@@H]1CCN(CC(=O)N2CCC[C@@H]2c2ccc(OC)cc2OC)C1)CC(F)(F)F ZINC001307518240 1070030032 /nfs/dbraw/zinc/03/00/32/1070030032.db2.gz BKBKKVXWSCXRMA-FXAWDEMLSA-N 0 3 457.537 3.573 20 0 JHADHN CCO[C@H]1CCCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H](c2ccccc2)N(C)C)C1 ZINC001314275770 1070033229 /nfs/dbraw/zinc/03/32/29/1070033229.db2.gz ORGMQSQHHRFQAW-LEWJYISDSA-N 0 3 482.654 3.578 20 0 JHADHN COCCc1ccc(OC[C@@H](O)CN2CCC[C@@H](c3nc(-c4ccc(F)cc4)no3)C2)cc1 ZINC001307555019 1070050059 /nfs/dbraw/zinc/05/00/59/1070050059.db2.gz KOMGUYCSTRUNOA-IRLDBZIGSA-N 0 3 455.530 3.684 20 0 JHADHN C[C@H](CCc1ccc(I)cc1)NC(=O)NC[C@H]1CCCCN1C1CC1 ZINC001312628312 1070051567 /nfs/dbraw/zinc/05/15/67/1070051567.db2.gz DKAPUKNBUOHFGD-DNVCBOLYSA-N 0 3 455.384 3.928 20 0 JHADHN CCOCC(C)(C)Cn1c(-c2ccccc2F)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC001314284985 1070056290 /nfs/dbraw/zinc/05/62/90/1070056290.db2.gz DPKGUZOMKNGNNK-NRFANRHFSA-N 0 3 472.653 3.752 20 0 JHADHN CCOCC(C)(C)Cn1c(-c2ccccc2F)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC001314284986 1070056443 /nfs/dbraw/zinc/05/64/43/1070056443.db2.gz DPKGUZOMKNGNNK-OAQYLSRUSA-N 0 3 472.653 3.752 20 0 JHADHN CCCNc1ccc(CNC(=O)N2CCC[C@@H](CN3CCN(c4ccccn4)CC3)C2)cc1 ZINC001312646274 1070060369 /nfs/dbraw/zinc/06/03/69/1070060369.db2.gz JCPAPKZUESJAQH-QHCPKHFHSA-N 0 3 450.631 3.647 20 0 JHADHN CC(=O)Nc1ccc2c(CN3CCC[C@H](C(=O)Nc4ccc(Cl)cn4)C3)cc(=O)oc2c1 ZINC001307572242 1070058071 /nfs/dbraw/zinc/05/80/71/1070058071.db2.gz UXZCBBNENSLJJL-HNNXBMFYSA-N 0 3 454.914 3.651 20 0 JHADHN CCCN(C)[C@@H](CNC(=O)N1CCC(C(N)=O)(c2ccccc2)CC1)c1ccc(Cl)cc1 ZINC001312675384 1070076477 /nfs/dbraw/zinc/07/64/77/1070076477.db2.gz UAGWBUDSGKIHBM-QFIPXVFZSA-N 0 3 457.018 3.952 20 0 JHADHN C[C@H](CCN1CCN(C)CC1)NC(=O)N[C@@H](Cc1ccccc1)c1nc2ccccc2s1 ZINC001312702198 1070086427 /nfs/dbraw/zinc/08/64/27/1070086427.db2.gz UURODKZWTIXDPQ-KNQAVFIVSA-N 0 3 451.640 3.905 20 0 JHADHN C[C@H](CCN1CCN(C)CC1)NC(=O)N[C@H](Cc1ccccc1)c1nc2ccccc2s1 ZINC001312702193 1070086513 /nfs/dbraw/zinc/08/65/13/1070086513.db2.gz UURODKZWTIXDPQ-DENIHFKCSA-N 0 3 451.640 3.905 20 0 JHADHN CC(=O)Nc1ccc(CN2CCC(NC(=O)N3CCC[C@H]3COc3ccccc3)CC2)cc1 ZINC001312716420 1070092108 /nfs/dbraw/zinc/09/21/08/1070092108.db2.gz PZIFAAAFERHOAO-DEOSSOPVSA-N 0 3 450.583 3.862 20 0 JHADHN CC[C@H](NCCC(=O)N[C@H](c1cccs1)c1ccccc1)c1cccc(S(N)(=O)=O)c1 ZINC001307632747 1070092382 /nfs/dbraw/zinc/09/23/82/1070092382.db2.gz KYTYMRPAMFIIKN-REWPJTCUSA-N 0 3 457.621 3.732 20 0 JHADHN COc1ccc(CC(C)(C)NC(=O)NC2CCN(Cc3ccc(NC(C)=O)cc3)CC2)cc1 ZINC001312715156 1070092336 /nfs/dbraw/zinc/09/23/36/1070092336.db2.gz GUPSXOGPLNBSJN-UHFFFAOYSA-N 0 3 452.599 3.939 20 0 JHADHN C[C@H](NCCC(=O)Nc1sc2c(c1C(N)=O)CCCC2)c1cccc(N2CCCC2=O)c1 ZINC001307642227 1070097987 /nfs/dbraw/zinc/09/79/87/1070097987.db2.gz LORUCMPDOJMAKK-HNNXBMFYSA-N 0 3 454.596 3.532 20 0 JHADHN 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CN(C)C(=O)[C@@H]1CCCN1CCCn1c([C@@H]2CCCCO2)nnc1N1CC=C(C(C)(C)C)CC1 ZINC001314628491 1070724214 /nfs/dbraw/zinc/72/42/14/1070724214.db2.gz IXTCLVFVWIURSD-VXKWHMMOSA-N 0 3 472.678 3.645 20 0 JHADHN CN(C)C(=O)[C@H]1CCCN1CCCn1c(N(C)Cc2ccc(Br)o2)nnc1C(C)(C)C ZINC001314629780 1070728778 /nfs/dbraw/zinc/72/87/78/1070728778.db2.gz UGZSZAWOAIAYGZ-QGZVFWFLSA-N 0 3 495.466 3.510 20 0 JHADHN CN(C)[C@H](Cn1c(-c2cccnc2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1)c1cccc(F)c1 ZINC001314648226 1070751729 /nfs/dbraw/zinc/75/17/29/1070751729.db2.gz FGIIZRNSVLFAPP-JOCHJYFZSA-N 0 3 495.603 3.839 20 0 JHADHN CN(C)[C@H](Cn1c(-c2cnccn2)nnc1N1CCC=C(Br)C1)c1ccsc1 ZINC001314648851 1070753552 /nfs/dbraw/zinc/75/35/52/1070753552.db2.gz JMFMLTZOZWSMCU-QGZVFWFLSA-N 0 3 460.405 3.588 20 0 JHADHN CN(C)[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CC=C(C(F)(F)F)CC1)c1cccc(F)c1 ZINC001314649263 1070754864 /nfs/dbraw/zinc/75/48/64/1070754864.db2.gz MZHMYCBYHPJTPB-LJQANCHMSA-N 0 3 463.483 3.819 20 0 JHADHN 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CN(c1nnc(Cc2ccsc2)n1CCC(C)(F)F)C1CCN(CCn2cccn2)CC1 ZINC001314698733 1070863493 /nfs/dbraw/zinc/86/34/93/1070863493.db2.gz RBBIIYBMKSYZRQ-UHFFFAOYSA-N 0 3 463.602 3.773 20 0 JHADHN CN(C)[C@@H](Cn1c(Cc2ccccc2F)nnc1N(C)CC(=O)NC(C)(C)C)c1cccs1 ZINC001314709076 1070883868 /nfs/dbraw/zinc/88/38/68/1070883868.db2.gz RLEIIESHUNNEST-IBGZPJMESA-N 0 3 472.634 3.723 20 0 JHADHN CCN(CC)[C@@H](Cn1c(C(C)C)nnc1N1CCN(C(=O)NC(C)(C)C)CC1)c1ccco1 ZINC001313666795 1070886308 /nfs/dbraw/zinc/88/63/08/1070886308.db2.gz XUKYLYYELIBNAF-IBGZPJMESA-N 0 3 459.639 3.708 20 0 JHADHN CCN(CC)[C@@H](Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC(C(N)=O)CC1)c1ccco1 ZINC001313671885 1070900752 /nfs/dbraw/zinc/90/07/52/1070900752.db2.gz CHGAHZAXZRRPTA-FQEVSTJZSA-N 0 3 471.005 3.976 20 0 JHADHN CCN(CC)[C@@H](Cn1c([C@H]2CCCCO2)nnc1N1CCC(NC(C)=O)CC1)c1ccsc1 ZINC001313672053 1070901381 /nfs/dbraw/zinc/90/13/81/1070901381.db2.gz MHIJIFXIWJQLBS-FCHUYYIVSA-N 0 3 474.675 3.769 20 0 JHADHN 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CCN(CCn1c(-c2ccc(Cl)nc2)nnc1N(C)Cc1cnccn1)CCC(F)(F)F ZINC001313809457 1071237650 /nfs/dbraw/zinc/23/76/50/1071237650.db2.gz ONOXJKAUYGRRHO-UHFFFAOYSA-N 0 3 468.915 3.694 20 0 JHADHN CCN(CCn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](n2nc(C)cc2C)C1)CCC(F)(F)F ZINC001313811130 1071244393 /nfs/dbraw/zinc/24/43/93/1071244393.db2.gz STMQNNSFXPKWBL-HXUWFJFHSA-N 0 3 493.582 3.608 20 0 JHADHN CCN(CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CCCC(C)(C)C1)CCC(F)(F)F ZINC001313811807 1071247921 /nfs/dbraw/zinc/24/79/21/1071247921.db2.gz IFFDEBGNXJTNFA-UHFFFAOYSA-N 0 3 491.566 3.822 20 0 JHADHN CCN(CCn1c(-c2ccc(Cl)nc2)nnc1N1CCOC(C)(C)C1)CCC(F)(F)F ZINC001313812006 1071248706 /nfs/dbraw/zinc/24/87/06/1071248706.db2.gz OYXPIQBOZMDCBE-UHFFFAOYSA-N 0 3 460.932 3.883 20 0 JHADHN CCN(CCn1c(-c2cnccn2)nnc1N1CCc2cc(F)ccc2C1)CCC(F)(F)F ZINC001313813660 1071255170 /nfs/dbraw/zinc/25/51/70/1071255170.db2.gz WKGDGRPUUIKLPX-UHFFFAOYSA-N 0 3 463.483 3.711 20 0 JHADHN CN(CCOc1ccccc1F)c1nnc(C(=O)Nc2ccccn2)n1CCN1CCCC(C)(C)C1 ZINC001314881916 1071307247 /nfs/dbraw/zinc/30/72/47/1071307247.db2.gz KRPOQTQKFCMBFW-UHFFFAOYSA-N 0 3 495.603 3.702 20 0 JHADHN CN(CCOc1ccccc1)c1nnc(C(=O)Nc2ccccn2)n1C[C@H]1N(C)CCCC1(C)C ZINC001314881813 1071307340 /nfs/dbraw/zinc/30/73/40/1071307340.db2.gz HLQQENSMGPOKEK-OAQYLSRUSA-N 0 3 477.613 3.561 20 0 JHADHN CS(=O)(=O)Nc1ccc(NC(=O)NC[C@H]2CCCCN2Cc2ccccc2)cc1Cl ZINC001310341688 1071324759 /nfs/dbraw/zinc/32/47/59/1071324759.db2.gz DWRCKFFXFYXACX-GOSISDBHSA-N 0 3 450.992 3.888 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3cc(OC)cc(OC)c3)n2Cc2nccn2C(F)F)C[C@H]1C ZINC001313858530 1071359361 /nfs/dbraw/zinc/35/93/61/1071359361.db2.gz BLBYNGUFYUZYAD-CVEARBPZSA-N 0 3 475.544 3.521 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@H]2CC(F)(F)CO2)C[C@H]1C ZINC001313858528 1071359486 /nfs/dbraw/zinc/35/94/86/1071359486.db2.gz BKLSNTLGTWEBRP-RVKKMQEKSA-N 0 3 471.499 3.890 20 0 JHADHN Cn1cccc1-c1nnc(N2CCN(C(C)(C)C)CC2)n1C[C@](O)(c1ccccc1)C(F)(F)F ZINC001314918011 1071361134 /nfs/dbraw/zinc/36/11/34/1071361134.db2.gz SJONYINYTBRLRZ-QHCPKHFHSA-N 0 3 476.547 3.654 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3cc(C)nc4ccccc43)n2CCCCCS(C)(=O)=O)C[C@@H]1C ZINC001313858953 1071363000 /nfs/dbraw/zinc/36/30/00/1071363000.db2.gz CVGOVUJEGNNRRV-SFTDATJTSA-N 0 3 498.697 3.936 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3cc(Br)c[nH]3)n2CCCOC2CCOCC2)C[C@H]1C ZINC001313859625 1071365227 /nfs/dbraw/zinc/36/52/27/1071365227.db2.gz HHXOHLYYOLXOGV-SJORKVTESA-N 0 3 495.466 3.540 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@H]2CCOC[C@@H]2OC)C[C@H]1C ZINC001313860952 1071372030 /nfs/dbraw/zinc/37/20/30/1071372030.db2.gz NQISBXYSEAXOAY-IGGJEDBVSA-N 0 3 479.572 3.517 20 0 JHADHN CC1(C)CN(C2(CNC(=O)Nc3cccn(Cc4ccccc4)c3=O)CCCCC2)CCO1 ZINC001310407870 1071372780 /nfs/dbraw/zinc/37/27/80/1071372780.db2.gz NENGMXHWSAILQG-UHFFFAOYSA-N 0 3 452.599 3.832 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3cc(OC)cc(OC)c3)n2CCC(=O)NC2CCCCC2)C[C@@H]1C ZINC001313861384 1071373913 /nfs/dbraw/zinc/37/39/13/1071373913.db2.gz PGZNFZKJVIMZAY-PMACEKPBSA-N 0 3 498.672 3.720 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(-c3ccc(Cl)cc3OC)n2CCc2nnc(C)s2)C[C@@H]1C ZINC001313862437 1071377416 /nfs/dbraw/zinc/37/74/16/1071377416.db2.gz AEUZBLGLQFYJDD-LSDHHAIUSA-N 0 3 476.050 3.929 20 0 JHADHN CN1CCN(CCn2c(CC(C)(C)C)nnc2N2CCC([C@@H]3CC3(F)F)CC2)CC1(C)C ZINC001314931741 1071376734 /nfs/dbraw/zinc/37/67/34/1071376734.db2.gz VCDUFPBNXLAPRP-IBGZPJMESA-N 0 3 452.638 3.764 20 0 JHADHN CN1CCN(CCn2c(Cc3c(F)cccc3F)nnc2N2CCC[C@@H](C(F)F)C2)CC1(C)C ZINC001314932058 1071377821 /nfs/dbraw/zinc/37/78/21/1071377821.db2.gz YADHIQMGSWNWON-QGZVFWFLSA-N 0 3 482.570 3.655 20 0 JHADHN CN1CCN(CCn2c(CCCc3ccccc3)nnc2N2CCC[C@@H](C(F)F)C2)CC1(C)C ZINC001314932068 1071378515 /nfs/dbraw/zinc/37/85/15/1071378515.db2.gz YSRCQUBEQAQCDO-JOCHJYFZSA-N 0 3 474.644 3.961 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3cc(Br)cn3C)n2Cc2ncccc2C)C[C@@H]1C ZINC001313863816 1071383102 /nfs/dbraw/zinc/38/31/02/1071383102.db2.gz TVOAFKRHCOCRJY-IRXDYDNUSA-N 0 3 472.435 3.717 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3ccc(F)cc3Br)n2C[C@](C)(O)CC)C[C@H]1C ZINC001313864010 1071384867 /nfs/dbraw/zinc/38/48/67/1071384867.db2.gz FMUOXXRCDATFDM-LRAJWGHMSA-N 0 3 468.415 3.927 20 0 JHADHN CCN1C[C@H](C)N(c2nnc([C@]3(OC(C)C)CCOC3)n2CCCc2ccccc2)C[C@@H]1C ZINC001313864673 1071388200 /nfs/dbraw/zinc/38/82/00/1071388200.db2.gz VPOZQORNMKZTCD-MCEYFSPLSA-N 0 3 455.647 3.870 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(CCc3ccc(OC)cc3)n2C[C@@H]2CCOC[C@H]2C)C[C@H]1C ZINC001313865352 1071391865 /nfs/dbraw/zinc/39/18/65/1071391865.db2.gz AGHPXOMDNFCDCL-JFYQVNSESA-N 0 3 455.647 3.663 20 0 JHADHN CCN1C[C@H](C)N(c2nnc([C@]3(OC(C)C)CCOC3)n2CCc2nc(C)c(C)s2)C[C@H]1C ZINC001313865835 1071393895 /nfs/dbraw/zinc/39/38/95/1071393895.db2.gz YHOCHHGORWTULS-YTZAWJCFSA-N 0 3 476.691 3.554 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(-c3cnn(C)c3)n2CCc2ccc(Br)s2)C[C@H]1C ZINC001313866850 1071396300 /nfs/dbraw/zinc/39/63/00/1071396300.db2.gz QZQLGUJFKKAJJJ-HUUCEWRRSA-N 0 3 478.464 3.664 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(CCc3ccc(OC)cc3)n2C[C@@H]2CCC[C@@H]2OC)C[C@@H]1C ZINC001313867170 1071397386 /nfs/dbraw/zinc/39/73/86/1071397386.db2.gz IALCDNYYKTYUKS-QDNNMPSSSA-N 0 3 455.647 3.806 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3ccc(Cl)cc3)n2CCCOC[C@H]2CCOC2)C[C@@H]1C ZINC001313867129 1071398113 /nfs/dbraw/zinc/39/81/13/1071398113.db2.gz LONQBKVMPLKCRS-SLFFLAALSA-N 0 3 462.038 3.961 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@H]2CCO[C@@H]2C(C)C)C[C@@H]1C ZINC001313867136 1071398181 /nfs/dbraw/zinc/39/81/81/1071398181.db2.gz LPMNFQIRVPMCRU-OEEHMVQOSA-N 0 3 471.646 3.942 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(-c3ccc(OC)c(OC)c3)n2Cc2c(C)noc2C)C[C@H]1C ZINC001313867585 1071398716 /nfs/dbraw/zinc/39/87/16/1071398716.db2.gz MHYIXIIVNACSSR-HZPDHXFCSA-N 0 3 454.575 3.534 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(Cc3ccccc3F)n2CCCNc2ccccn2)C[C@@H]1C ZINC001313868118 1071402469 /nfs/dbraw/zinc/40/24/69/1071402469.db2.gz AQEVXPYMDIFWQE-VQTJNVASSA-N 0 3 451.594 3.824 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(Cc3ccccn3)n2CCOc2ccc(Cl)cc2)C[C@H]1C ZINC001313868150 1071403513 /nfs/dbraw/zinc/40/35/13/1071403513.db2.gz AUTYXNVFJYUMJK-RTBURBONSA-N 0 3 455.006 3.915 20 0 JHADHN CCN1C[C@H](C)N(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@H]2OCC[C@H]2C)C[C@H]1C ZINC001313868759 1071406381 /nfs/dbraw/zinc/40/63/81/1071406381.db2.gz NOLWDRUUFPVDEX-LXHROKJGSA-N 0 3 490.693 3.737 20 0 JHADHN CCN1C[C@H](C)N(c2nnc([C@@H]3CCCCO3)n2CCCCn2cc(Br)cn2)C[C@H]1C ZINC001313868775 1071406497 /nfs/dbraw/zinc/40/64/97/1071406497.db2.gz NWOKNDZBNPIXNH-HBFSDRIKSA-N 0 3 494.482 3.878 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(CC(C)C)n2Cc2ccc(CN3CCCC3=O)cc2)C[C@H]1C ZINC001313868993 1071407354 /nfs/dbraw/zinc/40/73/54/1071407354.db2.gz CBJSKHGTESTUBU-NHCUHLMSSA-N 0 3 452.647 3.566 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(-c3cccnc3)n2Cc2ccc(C)cc2OCCOC)C[C@H]1C ZINC001313869296 1071408368 /nfs/dbraw/zinc/40/83/68/1071408368.db2.gz CHSAMTYDESMNDV-NHCUHLMSSA-N 0 3 464.614 3.641 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(Cc3cccnc3)n2CCOc2cccc(C(F)(F)F)n2)C[C@@H]1C ZINC001313870581 1071413191 /nfs/dbraw/zinc/41/31/91/1071413191.db2.gz DNALEFPQAGYMLL-ROUUACIJSA-N 0 3 489.546 3.676 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(CCc3ccccc3)n2CCn2cc(Br)cn2)C[C@H]1C ZINC001313870479 1071413232 /nfs/dbraw/zinc/41/32/32/1071413232.db2.gz SYEURFRRWXXESU-MOPGFXCFSA-N 0 3 486.462 3.641 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(CCc3ccccc3)n2CCn2cc(Br)cn2)C[C@@H]1C ZINC001313870481 1071413295 /nfs/dbraw/zinc/41/32/95/1071413295.db2.gz SYEURFRRWXXESU-RBUKOAKNSA-N 0 3 486.462 3.641 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(CCCc3ccccc3)n2C[C@](C)(O)c2ccco2)C[C@@H]1C ZINC001313871207 1071416769 /nfs/dbraw/zinc/41/67/69/1071416769.db2.gz YCNROFXLABPEKS-WOVHNISZSA-N 0 3 451.615 3.873 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(Cc3c(F)cccc3F)n2Cc2ccc(OC)nc2)C[C@H]1C ZINC001313871637 1071417486 /nfs/dbraw/zinc/41/74/86/1071417486.db2.gz GVMKKFFBCSJODW-SJORKVTESA-N 0 3 456.541 3.518 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(-c3cn(C)c4ccccc34)n2CCN(C)CC(F)(F)F)C[C@@H]1C ZINC001313871755 1071418266 /nfs/dbraw/zinc/41/82/66/1071418266.db2.gz HWNMSRUNNHOSFQ-ZWKOTPCHSA-N 0 3 477.579 3.850 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3cn(C)c4ccccc34)n2CCN(C)CC(F)(F)F)C[C@@H]1C ZINC001313871754 1071418277 /nfs/dbraw/zinc/41/82/77/1071418277.db2.gz HWNMSRUNNHOSFQ-ROUUACIJSA-N 0 3 477.579 3.850 20 0 JHADHN CCN1C[C@H](C)N(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2Cc2cc(C)no2)C[C@@H]1C ZINC001313871875 1071418998 /nfs/dbraw/zinc/41/89/98/1071418998.db2.gz UMGIIKBCIWOPQZ-UFYCRDLUSA-N 0 3 487.649 3.656 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(Cc3ccc(Cl)cc3)n2CCCc2cnn(C)c2)C[C@@H]1C ZINC001313873734 1071426519 /nfs/dbraw/zinc/42/65/19/1071426519.db2.gz LWAFQJWKPUQCKB-RBUKOAKNSA-N 0 3 456.038 3.808 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(Cc3ccc(Cl)cc3)n2CCCCCS(C)(=O)=O)C[C@H]1C ZINC001313874083 1071427170 /nfs/dbraw/zinc/42/71/70/1071427170.db2.gz MKZRZFHAKAUSBW-RTBURBONSA-N 0 3 482.094 3.656 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(CNC(=O)c3cccs3)n2CC2(CCOC)CCCC2)C[C@H]1C ZINC001313874525 1071428937 /nfs/dbraw/zinc/42/89/37/1071428937.db2.gz IOZMVNLPZYMETF-UXHICEINSA-N 0 3 488.702 3.785 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CC(C)(C)C(=O)NC)C[C@@H]1C ZINC001313877581 1071442452 /nfs/dbraw/zinc/44/24/52/1071442452.db2.gz RHJJDFRHZJWQBI-VQTJNVASSA-N 0 3 484.689 3.846 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(Cn3nc(C)cc3C)n2CCCOc2ccc(OC)cc2)C[C@@H]1C ZINC001313878784 1071445959 /nfs/dbraw/zinc/44/59/59/1071445959.db2.gz VRLKIABPQCJTDN-FCHUYYIVSA-N 0 3 481.645 3.536 20 0 JHADHN CCN1C[C@H](C)N(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H]2CC(F)(F)CO2)C[C@@H]1C ZINC001313881309 1071454522 /nfs/dbraw/zinc/45/45/22/1071454522.db2.gz CANWPBRNWPYFQO-NTZUZEMLSA-N 0 3 455.594 3.540 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(CSc3ccccc3OC)n2CCCc2cnn(C)c2)C[C@H]1C ZINC001313882422 1071458128 /nfs/dbraw/zinc/45/81/28/1071458128.db2.gz FTIUQKKPKBUYIV-WOJBJXKFSA-N 0 3 483.686 3.864 20 0 JHADHN CCN1C[C@H](C)N(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@]2(O)CCC[C@H]2C)C[C@H]1C ZINC001313882677 1071458300 /nfs/dbraw/zinc/45/83/00/1071458300.db2.gz GCOSOPDLJKBTSZ-OLDNAUNWSA-N 0 3 490.693 3.519 20 0 JHADHN CCN1C[C@H](C)N(c2nnc([C@H]3CCCO3)n2C[C@@H]2[C@@H](C)CCN2C(=O)OC(C)(C)C)C[C@@H]1C ZINC001313883120 1071460653 /nfs/dbraw/zinc/46/06/53/1071460653.db2.gz IHOKTKXAIQKCMR-ALGQRKQJSA-N 0 3 476.666 3.694 20 0 JHADHN CCN1C[C@H](C)N(c2nnc([C@H]3OCC[C@H]3COC)n2CCCCc2nc(C)cs2)C[C@@H]1C ZINC001313883141 1071461288 /nfs/dbraw/zinc/46/12/88/1071461288.db2.gz INFPKIPZARXFTE-XWUOBKMESA-N 0 3 476.691 3.709 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(CSc3ccc(C)cc3)n2C[C@H]2NC(=O)CC2(C)C)C[C@@H]1C ZINC001313887852 1071475079 /nfs/dbraw/zinc/47/50/79/1071475079.db2.gz WFSSGRBEYUFGLL-IRFCIJBXSA-N 0 3 470.687 3.712 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(CSc3ccc(C)cc3)n2C[C@@]2(O)CCSC2)C[C@H]1C ZINC001313888680 1071478316 /nfs/dbraw/zinc/47/83/16/1071478316.db2.gz XHRGLYPGZKVZPO-MSYCTHLASA-N 0 3 461.701 3.666 20 0 JHADHN CCN1C[C@H](C)N(c2nnc([C@H]3OCC[C@H]3COC)n2CCOC2CCCCCC2)C[C@@H]1C ZINC001313889403 1071480092 /nfs/dbraw/zinc/48/00/92/1071480092.db2.gz YBORVWUJEFAQKB-FKEBYFGASA-N 0 3 463.667 3.660 20 0 JHADHN CCN1CCC[C@@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@](C)(OC)CC1 ZINC001313895638 1071498016 /nfs/dbraw/zinc/49/80/16/1071498016.db2.gz AVLOFYDTTXZXAL-BWKNWUBXSA-N 0 3 489.064 3.741 20 0 JHADHN CCN1CCC[C@@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCCC[C@@H](C)C1 ZINC001313898284 1071504828 /nfs/dbraw/zinc/50/48/28/1071504828.db2.gz PLEALDKTUDWHBJ-WIYYLYMNSA-N 0 3 459.038 3.972 20 0 JHADHN CCN1CCCC[C@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)CCOc1ccccc1Cl ZINC001313903672 1071515799 /nfs/dbraw/zinc/51/57/99/1071515799.db2.gz FIMPTNFXQUUUEH-IBGZPJMESA-N 0 3 475.037 3.557 20 0 JHADHN CCN1CCCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(Cl)=C(Cl)C1 ZINC001313905536 1071521533 /nfs/dbraw/zinc/52/15/33/1071521533.db2.gz MLRJFPQLUJAGIZ-HNNXBMFYSA-N 0 3 464.401 3.699 20 0 JHADHN CNC(=O)CC1CCN(c2nnc(Cc3ccsc3)n2C[C@@H](c2ccc(F)cc2)N(C)C)CC1 ZINC001315025202 1071549284 /nfs/dbraw/zinc/54/92/84/1071549284.db2.gz DAYUGQKPSKEFTR-QFIPXVFZSA-N 0 3 484.645 3.725 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c([C@@H](C)Oc3ccccc3F)nnc2N(C)CC2CC(F)C2)CC1 ZINC001313923001 1071566246 /nfs/dbraw/zinc/56/62/46/1071566246.db2.gz ZERPIVXCHZHHQU-KREBGBLKSA-N 0 3 476.616 3.768 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(-c3ccc(OC)cc3)nnc2N(C)[C@@H](C)c2ccco2)CC1 ZINC001313923918 1071568943 /nfs/dbraw/zinc/56/89/43/1071568943.db2.gz AVADEBNFYVMBNJ-PMACEKPBSA-N 0 3 452.603 3.770 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(CC(C)(C)C)nnc2N2CCN(c3ccc(C)cc3)CC2)CC1 ZINC001313926119 1071575694 /nfs/dbraw/zinc/57/56/94/1071575694.db2.gz CMGKGYHNQGEWEC-HSZRJFAPSA-N 0 3 467.706 3.528 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(-c3cccc(C)n3)nnc2N(C)[C@@H](C)c2ccc(OC)cc2)CC1 ZINC001313925764 1071574726 /nfs/dbraw/zinc/57/47/26/1071574726.db2.gz AGMFSZNTIMNMBB-YADHBBJMSA-N 0 3 477.657 3.881 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(Cc3ccccc3OC)nnc2N2CCC[C@H](OC(C)(C)C)C2)CC1 ZINC001313925730 1071574781 /nfs/dbraw/zinc/57/47/81/1071574781.db2.gz BMIJPVNWESIISA-VWNXMTODSA-N 0 3 498.716 3.687 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(-c3cccc(C)n3)nnc2N(C)[C@H](C)c2ccc(OC)cc2)CC1 ZINC001313925762 1071574930 /nfs/dbraw/zinc/57/49/30/1071574930.db2.gz AGMFSZNTIMNMBB-FGZHOGPDSA-N 0 3 477.657 3.881 20 0 JHADHN CCN1CCN([C@H](C)Cn2c([C@H]3CCCOC3)nnc2N(C)[C@H](C)c2ccc(F)c(F)c2)CC1 ZINC001313926558 1071576732 /nfs/dbraw/zinc/57/67/32/1071576732.db2.gz DICBRDGYKYOVAY-SBHAEUEKSA-N 0 3 476.616 3.674 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(COc3ccc(C)cc3)nnc2N2CC[C@@](C)(CC)C2)CC1 ZINC001313926522 1071576843 /nfs/dbraw/zinc/57/68/43/1071576843.db2.gz DGYASEVZZROVHD-ATIYNZHBSA-N 0 3 454.663 3.818 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(COc3cc(C)ccc3C)nnc2N2C[C@H](C)[C@@H](C)C2)CC1 ZINC001313926985 1071578693 /nfs/dbraw/zinc/57/86/93/1071578693.db2.gz GTEVZOBKITXMSR-RJGXRXQPSA-N 0 3 454.663 3.592 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCS[C@@H](C(C)C)C2)CC1 ZINC001313929013 1071585100 /nfs/dbraw/zinc/58/51/00/1071585100.db2.gz WZSSOVUIWGVIBK-WBADGQHESA-N 0 3 492.778 3.801 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(COc3ccc(Cl)cc3)nnc2N2C[C@@H](C)OC(C)(C)C2)CC1 ZINC001313929336 1071586815 /nfs/dbraw/zinc/58/68/15/1071586815.db2.gz YZXTZTPODCCSEF-WOJBJXKFSA-N 0 3 491.080 3.540 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(Cc3ccc(F)cc3)nnc2N2CCS[C@H](C(C)C)C2)CC1 ZINC001313930080 1071587870 /nfs/dbraw/zinc/58/78/70/1071587870.db2.gz VAGBLAMIPFKTLN-OFNKIYASSA-N 0 3 474.694 3.612 20 0 JHADHN CCN1CCN([C@@H]2CCN(c3nnc(C(C)(C)C)n3C[C@H](C)Cc3ccc(OC)c(OC)c3)C2)CC1 ZINC001313942641 1071620777 /nfs/dbraw/zinc/62/07/77/1071620777.db2.gz JOABDOGGDOEKID-FYYLOGMGSA-N 0 3 498.716 3.688 20 0 JHADHN CCN1CCN([C@@H]2CCN(c3nnc(C(C)C)n3C[C@H](C)Cc3ccc(OC)cc3)C2)CC1 ZINC001313944274 1071624546 /nfs/dbraw/zinc/62/45/46/1071624546.db2.gz ZHIAUWLCDZHEJG-FYYLOGMGSA-N 0 3 454.663 3.505 20 0 JHADHN CCN1CCN([C@H]2CCN(c3nnc(CC(C)C)n3Cc3cccc(C(F)(F)F)c3)C2)CC1 ZINC001313946253 1071628028 /nfs/dbraw/zinc/62/80/28/1071628028.db2.gz AYSPSIHCOUTIOV-NRFANRHFSA-N 0 3 464.580 3.760 20 0 JHADHN CCN1CCN([C@@H]2CCN(c3nnc(CC(C)C)n3Cc3cccc(C(F)(F)F)c3)C2)CC1 ZINC001313946254 1071628460 /nfs/dbraw/zinc/62/84/60/1071628460.db2.gz AYSPSIHCOUTIOV-OAQYLSRUSA-N 0 3 464.580 3.760 20 0 JHADHN CCN1CCN([C@@H]2CCN(c3nnc(Cc4c(F)cccc4F)n3CCCCSC)C2)CC1 ZINC001313947924 1071632912 /nfs/dbraw/zinc/63/29/12/1071632912.db2.gz DIHJSGNPSFAXMC-LJQANCHMSA-N 0 3 478.657 3.507 20 0 JHADHN CCN1CCN([C@@H]2CCN(c3nnc(Cc4ccccc4F)n3CCSCC(C)C)C2)CC1 ZINC001313949203 1071635767 /nfs/dbraw/zinc/63/57/67/1071635767.db2.gz KMAORILTWOZAJC-JOCHJYFZSA-N 0 3 474.694 3.613 20 0 JHADHN CCN1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@H]2CN(CC(C)C)CCO2)C[C@H]1C ZINC001313949372 1071635797 /nfs/dbraw/zinc/63/57/97/1071635797.db2.gz PHMWMFPTJJTYQB-DHIUTWEWSA-N 0 3 486.730 3.766 20 0 JHADHN CCN1CCN([C@H]2CCN(c3nnc(CC(C)C)n3Cc3cc(Br)cs3)C2)CC1 ZINC001313949204 1071635919 /nfs/dbraw/zinc/63/59/19/1071635919.db2.gz WLUWPPOHOBRBOG-SFHVURJKSA-N 0 3 481.508 3.565 20 0 JHADHN CCN1CCN(C[C@H](C)Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2C[C@H](C)[C@H](C)C2)CC1 ZINC001313950426 1071638090 /nfs/dbraw/zinc/63/80/90/1071638090.db2.gz PGWOFQXUAWMFNX-FNAHDJPLSA-N 0 3 472.653 3.923 20 0 JHADHN CCN1CCN(C[C@H](C)Cn2c(CSc3ccc(C)cc3)nnc2N2CCOC(C)(C)C2)CC1 ZINC001313951032 1071640436 /nfs/dbraw/zinc/64/04/36/1071640436.db2.gz CTROGPHNQMOZGT-QFIPXVFZSA-N 0 3 486.730 3.768 20 0 JHADHN CCN1CCN(C[C@H](C)Cn2c(C(C)C)nnc2N2CCN(Cc3cccc(Cl)c3)CC2)CC1 ZINC001313951280 1071641085 /nfs/dbraw/zinc/64/10/85/1071641085.db2.gz SMSRYCFDNIEOCA-QFIPXVFZSA-N 0 3 488.124 3.651 20 0 JHADHN CCN1CCN(C[C@H](C)Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2CCSC[C@H]2C)CC1 ZINC001313951220 1071641222 /nfs/dbraw/zinc/64/12/22/1071641222.db2.gz RMRWJTSLOVLBOR-HBMCJLEFSA-N 0 3 490.693 3.773 20 0 JHADHN CCN1CCN(C[C@@H](C)Cn2c(COc3ccccc3F)nnc2N2CCC(C)CC2)CC1 ZINC001313952182 1071644386 /nfs/dbraw/zinc/64/43/86/1071644386.db2.gz OIIYSEPIRAQGSH-OAQYLSRUSA-N 0 3 458.626 3.506 20 0 JHADHN CCN1CCN(C[C@@H](C)Cn2c(N3CCCO[C@@H](c4ccccc4)C3)nnc2C(C)(C)C)CC1 ZINC001313952524 1071645896 /nfs/dbraw/zinc/64/58/96/1071645896.db2.gz RJRQOGDGHNKMQM-ISKFKSNPSA-N 0 3 468.690 3.817 20 0 JHADHN CCN1CCN(C[C@@H](C)Cn2c(COc3ccc(Cl)cc3)nnc2N(C)C2CCC2)CC1 ZINC001313953367 1071648461 /nfs/dbraw/zinc/64/84/61/1071648461.db2.gz YCMASCWHJWKJGA-LJQANCHMSA-N 0 3 461.054 3.773 20 0 JHADHN CCN1CCN(C[C@H](C)Cn2c([C@@H]3CCCOC3)nnc2N(C)[C@H](C)c2ccc(F)c(F)c2)CC1 ZINC001313954253 1071651198 /nfs/dbraw/zinc/65/11/98/1071651198.db2.gz MNBIMWHTIGEXQH-TUNNFDKTSA-N 0 3 490.643 3.921 20 0 JHADHN CCN1CCN(C[C@H](C)Cn2c([C@H]3CCCCO3)nnc2N(C)[C@@H](C)c2ccccc2)CC1 ZINC001313954257 1071651226 /nfs/dbraw/zinc/65/12/26/1071651226.db2.gz MNLJKNQGIPLDDE-WPFOTENUSA-N 0 3 454.663 3.991 20 0 JHADHN CCN1CCN(C[C@H](C)Cn2c([C@H]3CCCCO3)nnc2N(C)[C@H](C)c2ccccc2)CC1 ZINC001313954256 1071651307 /nfs/dbraw/zinc/65/13/07/1071651307.db2.gz MNLJKNQGIPLDDE-WMTXJRDZSA-N 0 3 454.663 3.991 20 0 JHADHN CCN1CCN(C[C@H](C)Cn2c(Cc3ccccc3C)nnc2N(C)Cc2ccoc2)CC1 ZINC001313954188 1071650619 /nfs/dbraw/zinc/65/06/19/1071650619.db2.gz AVVJUEYMINPKSB-NRFANRHFSA-N 0 3 450.631 3.680 20 0 JHADHN CCN1CCN(C[C@H](C)Cn2c(Cc3c(F)cccc3F)nnc2N2CC[C@@H](C)[C@@H](C)C2)CC1 ZINC001313955846 1071656691 /nfs/dbraw/zinc/65/66/91/1071656691.db2.gz IVADBBOSSQYSPO-HBMCJLEFSA-N 0 3 474.644 3.903 20 0 JHADHN CCN1CCN(C[C@H](C)Cn2c([C@@H]3CCOC3)nnc2N(C)[C@@H](C)c2ccc(F)c(F)c2)CC1 ZINC001313955276 1071654748 /nfs/dbraw/zinc/65/47/48/1071654748.db2.gz QXGZVVADKOPXMI-IRFCIJBXSA-N 0 3 476.616 3.531 20 0 JHADHN CCN1CCN(C[C@@H](C)Cn2c(COc3cc(C)cc(C)c3)nnc2N2C[C@@H](C)OC(C)(C)C2)CC1 ZINC001313955165 1071654985 /nfs/dbraw/zinc/65/49/85/1071654985.db2.gz FVZVQVHKUGHKKN-DNQXCXABSA-N 0 3 498.716 3.751 20 0 JHADHN CCN1CCN(C[C@H](C)Cn2c(Cc3csc(C)n3)nnc2N2CCC(CC)(CC)C2)CC1 ZINC001313955405 1071655443 /nfs/dbraw/zinc/65/54/43/1071655443.db2.gz GYEDEJGTXFPCHJ-FQEVSTJZSA-N 0 3 473.735 3.924 20 0 JHADHN CCN1CCN(C[C@H](C)Cn2c(COc3ccc(C)c(C)c3)nnc2N(C)[C@H]2CCSC2)CC1 ZINC001313956089 1071657314 /nfs/dbraw/zinc/65/73/14/1071657314.db2.gz KGAWKBASUNHLJX-REWPJTCUSA-N 0 3 486.730 3.689 20 0 JHADHN CCN1CCN(C[C@H](C)Cn2c(COc3cccc(C)c3)nnc2N2CCC[C@@H](C(F)F)C2)CC1 ZINC001313957246 1071659422 /nfs/dbraw/zinc/65/94/22/1071659422.db2.gz PYRZAQPIAZCPJO-FCHUYYIVSA-N 0 3 490.643 3.921 20 0 JHADHN CCN1CCN(C[C@H](C)Cn2c(Cc3ccccc3F)nnc2N2CC[C@@H](C)[C@@H](C)C2)CC1 ZINC001313957602 1071660779 /nfs/dbraw/zinc/66/07/79/1071660779.db2.gz QTYMAPOXWGOVGA-BDTNDASRSA-N 0 3 456.654 3.764 20 0 JHADHN CCN1CCN(C[C@H](C)Cn2c(CCc3ccc(OC)cc3)nnc2N2C[C@H](C)C[C@H](C)C2)CC1 ZINC001313957922 1071661905 /nfs/dbraw/zinc/66/19/05/1071661905.db2.gz SBVSDERGOUVAIU-VXNXHJTFSA-N 0 3 482.717 3.828 20 0 JHADHN CCN1CCN(C[C@H](C)Cn2c(Cc3ccsc3)nnc2N2CCO[C@@](C)(C(C)(C)C)C2)CC1 ZINC001313957953 1071662369 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OQMULJHKKDNAOI-PKTZIBPZSA-N 0 3 486.730 3.832 20 0 JHADHN CCO[C@@H](CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C2CCCCC2)CC1)C(C)C ZINC001314057794 1071887524 /nfs/dbraw/zinc/88/75/24/1071887524.db2.gz SPXBPORGMCYSMT-QFIPXVFZSA-N 0 3 483.661 3.831 20 0 JHADHN CCO[C@@H](CCn1c(-c2ccccc2F)nnc1N1CCN(C2CCOCC2)CC1)C(C)C ZINC001314066884 1071914195 /nfs/dbraw/zinc/91/41/95/1071914195.db2.gz QHWMIFALNPYRQC-QHCPKHFHSA-N 0 3 459.610 3.836 20 0 JHADHN CCO[C@H](Cn1c(C(=O)NC(C)C)nnc1N1CCN(CCC(C)(C)C)CC1)c1ccccc1 ZINC001314076555 1071934057 /nfs/dbraw/zinc/93/40/57/1071934057.db2.gz YICYBPVBCHEKEI-JOCHJYFZSA-N 0 3 470.662 3.752 20 0 JHADHN CCO[C@@]1(c2nnc(N(C)Cc3ccc(C)o3)n2C[C@@H](c2ccc(F)cc2)N(C)C)CCOC1 ZINC001314082218 1071945674 /nfs/dbraw/zinc/94/56/74/1071945674.db2.gz DIBXLBNXOOASDV-DHLKQENFSA-N 0 3 471.577 3.910 20 0 JHADHN CCO[C@]1(c2nnc(N3C[C@@H](C)N(CC)C[C@@H]3C)n2Cc2ccc(Cl)cc2F)CCOC1 ZINC001314093934 1071971886 /nfs/dbraw/zinc/97/18/86/1071971886.db2.gz INYQRRXYGXTTSI-SAHWJRBASA-N 0 3 466.001 3.690 20 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CCc1ccc(-c2nnc(N3CCN(C(=O)CN(CC)CC)CC3)n2CC2(CC)CCOCC2)cc1 ZINC001305944549 1068256853 /nfs/dbraw/zinc/25/68/53/1068256853.db2.gz TWEWWUCMEYGLBC-UHFFFAOYSA-N 0 3 496.700 3.705 20 0 JHADHN CCc1ccccc1OCc1nnc(N2CCN(CC)[C@H](C)C2)n1CCCn1ccnc1C ZINC001305988355 1068344626 /nfs/dbraw/zinc/34/46/26/1068344626.db2.gz KVQJJGBKBKBBDD-HXUWFJFHSA-N 0 3 451.619 3.545 20 0 JHADHN CCc1nc(C)c([C@@H](C)N(C)c2nnc(C(=O)N3CCCC3)n2CCN2CCCCC2)s1 ZINC001306001035 1068372524 /nfs/dbraw/zinc/37/25/24/1068372524.db2.gz NCNNAZLBKZEWQK-GOSISDBHSA-N 0 3 459.664 3.525 20 0 JHADHN CCc1nn(C)c(CC)c1Cn1c(CCc2ccc(OC)cc2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001306045733 1068466862 /nfs/dbraw/zinc/46/68/62/1068466862.db2.gz PHEJTNSYNRJAMO-UHFFFAOYSA-N 0 3 493.700 3.899 20 0 JHADHN CCc1nnc(N(C)Cc2ccccc2Br)n1C[C@H](C)CN1CCN(CC)CC1 ZINC001306079905 1068510481 /nfs/dbraw/zinc/51/04/81/1068510481.db2.gz FFNAZGDFCUXNJQ-GOSISDBHSA-N 0 3 463.468 3.513 20 0 JHADHN CCc1nnc(N2CCC(NC(=O)NC3CCCCC3)CC2)n1C[C@@H](c1ccccc1)N(C)C ZINC001306145145 1068548068 /nfs/dbraw/zinc/54/80/68/1068548068.db2.gz YJCYQPSDBLSVFO-QHCPKHFHSA-N 0 3 467.662 3.744 20 0 JHADHN CCc1nnc(N2CCN(C(=O)c3ccc(Cl)cc3)CC2)n1C[C@H](c1cccs1)N(C)C ZINC001306184343 1068574971 /nfs/dbraw/zinc/57/49/71/1068574971.db2.gz AQHSQKIHWBYHSA-LJQANCHMSA-N 0 3 473.046 3.821 20 0 JHADHN CCc1nnc(N2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)n1C[C@@H](C)CN1CCN(CC)CC1 ZINC001306216836 1068604081 /nfs/dbraw/zinc/60/40/81/1068604081.db2.gz ZVDFLPIIBIWTRI-AVRDEDQJSA-N 0 3 495.499 3.999 20 0 JHADHN CCc1noc(C)c1Cn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@H](C)N(CC)C[C@@H]1C ZINC001306235333 1068628168 /nfs/dbraw/zinc/62/81/68/1068628168.db2.gz SKAWEWWEZUJRAL-IRXDYDNUSA-N 0 3 468.602 3.788 20 0 JHADHN CC[C@@H]1C(=O)NCCN1c1nnc(-c2ccccc2Cl)n1C[C@@H](c1ccsc1)N(C)C ZINC001306248749 1068658893 /nfs/dbraw/zinc/65/88/93/1068658893.db2.gz ICWYSDRXJSCCSX-MOPGFXCFSA-N 0 3 459.019 3.678 20 0 JHADHN CC(C)(C)N1CC[C@@](F)(C(=O)NCCN2C(=O)S/C(=C\c3ccc(Cl)cc3)C2=O)C1 ZINC001306308036 1068726453 /nfs/dbraw/zinc/72/64/53/1068726453.db2.gz DXMVTLJLYZIMTI-JQFUVSSDSA-N 0 3 453.967 3.705 20 0 JHADHN CC[C@H]1CCCCN1CCn1c(-c2ccccc2Cl)nnc1N(C)CCS(=O)(=O)CC ZINC001306318196 1068740578 /nfs/dbraw/zinc/74/05/78/1068740578.db2.gz FHOTZJRLSRZVEG-SFHVURJKSA-N 0 3 468.067 3.734 20 0 JHADHN CC[C@H]1CCCCN1CCn1c(-c2ccccc2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 ZINC001306318336 1068741190 /nfs/dbraw/zinc/74/11/90/1068741190.db2.gz FVLFWGXAAYDWNZ-FCHUYYIVSA-N 0 3 459.660 3.613 20 0 JHADHN CC[C@@H]1CCCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H](C(C)C)N1CCCC1 ZINC001306346108 1068783258 /nfs/dbraw/zinc/78/32/58/1068783258.db2.gz LIYRCNQUTDWHEP-IFMALSPDSA-N 0 3 459.660 3.848 20 0 JHADHN CC[C@@H]1CCN(c2nnc(-c3noc4c3COCC4)n2CCN(CC)CCC(F)(F)F)C1 ZINC001306370958 1068804967 /nfs/dbraw/zinc/80/49/67/1068804967.db2.gz HSSSBVSKPABUPP-OAHLLOKOSA-N 0 3 456.513 3.516 20 0 JHADHN CC[C@H]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCN2CCN(C)C(C)(C)C2)C1 ZINC001306380762 1068811757 /nfs/dbraw/zinc/81/17/57/1068811757.db2.gz CYGAUHMMSPCTOF-SFTDATJTSA-N 0 3 489.709 3.612 20 0 JHADHN C[C@H](CNC(=O)c1csc(I)c1Br)N1CCCCC1 ZINC001306423336 1068916676 /nfs/dbraw/zinc/91/66/76/1068916676.db2.gz XNUGPEAQBZRCOJ-SECBINFHSA-N 0 3 457.175 3.719 20 0 JHADHN CC[C@@H]1CN(c2nnc(Cc3csc(C)n3)n2CCN(C)Cc2ccccc2)C[C@@H](C)O1 ZINC001306443398 1068954064 /nfs/dbraw/zinc/95/40/64/1068954064.db2.gz CYZBQOZXSXHEFJ-XMSQKQJNSA-N 0 3 454.644 3.770 20 0 JHADHN CC/C=C/Cn1c(-c2ccc(Br)cc2)nnc1N1CCN(C2CCOCC2)CC1 ZINC001306467976 1069008711 /nfs/dbraw/zinc/00/87/11/1069008711.db2.gz PLVNQTHWOMTMSS-ONEGZZNKSA-N 0 3 460.420 3.975 20 0 JHADHN CC/C=C/Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001306469343 1069011917 /nfs/dbraw/zinc/01/19/17/1069011917.db2.gz BFHBMGKGORYHCU-VOTSOKGWSA-N 0 3 469.630 3.867 20 0 JHADHN O=C(NC[C@@]1(O)CCN(Cc2ccccc2)C1)Nc1ccc(F)cc1OCCC(F)(F)F ZINC001310621663 1069063869 /nfs/dbraw/zinc/06/38/69/1069063869.db2.gz QOWXPXHVFDCMIT-NRFANRHFSA-N 0 3 455.452 3.915 20 0 JHADHN CCCC(=O)NC1CCN(c2nnc(Cc3cccnc3)n2C[C@@H](c2ccc(C)cc2)N(C)C)CC1 ZINC001306512957 1069110127 /nfs/dbraw/zinc/11/01/27/1069110127.db2.gz RCQZHXLVIAALAR-VWLOTQADSA-N 0 3 489.668 3.760 20 0 JHADHN Cc1nc(NC(=O)NC[C@H](C)CN2CCN(C)CC2)sc1Cc1cccc(Cl)c1F ZINC001310742625 1069145719 /nfs/dbraw/zinc/14/57/19/1069145719.db2.gz ZEPSTZAKYXGRCD-AWEZNQCLSA-N 0 3 454.015 3.840 20 0 JHADHN CN1CCC(Oc2ccc(Cl)cc2NC(=O)N2CCN(Cc3cscn3)CC2)CC1 ZINC001310745010 1069147596 /nfs/dbraw/zinc/14/75/96/1069147596.db2.gz DCTLGDIPIYQQFZ-UHFFFAOYSA-N 0 3 450.008 3.619 20 0 JHADHN CN1CCC(Oc2ccc(Cl)cc2NC(=O)NCc2ccc(S(C)(=O)=O)cc2)CC1 ZINC001310746172 1069148119 /nfs/dbraw/zinc/14/81/19/1069148119.db2.gz RQTIPAXCPYNETI-UHFFFAOYSA-N 0 3 451.976 3.538 20 0 JHADHN CCC[C@@](C)(O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC001306527086 1069157157 /nfs/dbraw/zinc/15/71/57/1069157157.db2.gz CZVLEUWTWCXGGW-WIOPSUGQSA-N 0 3 475.081 3.754 20 0 JHADHN CCC[C@@](C)(O)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCN(C2CCOCC2)CC1 ZINC001306530386 1069169448 /nfs/dbraw/zinc/16/94/48/1069169448.db2.gz WORJQTNQWBYPDS-WXVAWEFUSA-N 0 3 485.673 3.887 20 0 JHADHN CCC[C@](C)(O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001306531378 1069172373 /nfs/dbraw/zinc/17/23/73/1069172373.db2.gz ZMOWRLYASXPAOL-FNZWTVRRSA-N 0 3 489.636 3.657 20 0 JHADHN CN(C)CCn1nccc1NC(=O)N[C@@H](c1ccc2c(c1)OCCO2)c1ccccc1Cl ZINC001310816684 1069175981 /nfs/dbraw/zinc/17/59/81/1069175981.db2.gz RLRGMYFPFJWLNL-QFIPXVFZSA-N 0 3 455.946 3.780 20 0 JHADHN CCC[C@@H](C)CN(C)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC001306556565 1069224658 /nfs/dbraw/zinc/22/46/58/1069224658.db2.gz TWKXTXIZQRUPDV-VWNXMTODSA-N 0 3 482.673 3.678 20 0 JHADHN COc1ccc([C@H](CN(C)C)NC(=O)Nc2ccc(I)cc2F)cc1 ZINC001310977417 1069238028 /nfs/dbraw/zinc/23/80/28/1069238028.db2.gz ANALAFCPRMCTRJ-KRWDZBQOSA-N 0 3 457.287 3.863 20 0 JHADHN O=C(Nc1ccc(-c2ccc(Cl)s2)nn1)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC001310978773 1069238594 /nfs/dbraw/zinc/23/85/94/1069238594.db2.gz ZFAQECCQHSNPQX-IAGOWNOFSA-N 0 3 457.987 3.863 20 0 JHADHN CCC[C@H](C)N(C)c1nnc([C@@H]2CCCOC2)n1Cc1ccccc1CN1CCC(O)CC1 ZINC001306580698 1069245619 /nfs/dbraw/zinc/24/56/19/1069245619.db2.gz LTVFABXUAMYMAY-NZQKXSOJSA-N 0 3 455.647 3.802 20 0 JHADHN C[C@H](CNC(=O)Nc1csc(-c2ccc(Br)cc2)n1)CN1CCN(C)CC1 ZINC001311040570 1069255372 /nfs/dbraw/zinc/25/53/72/1069255372.db2.gz NNEXMHIAXUOKLC-CQSZACIVSA-N 0 3 452.422 3.578 20 0 JHADHN CCC[C@H]1CN(c2nnc(-c3cccnc3)n2C[C@](C)(O)c2ccccc2Cl)CCN1CCOC ZINC001306620419 1069306383 /nfs/dbraw/zinc/30/63/83/1069306383.db2.gz GMTYMGSUIDSKMF-LVXARBLLSA-N 0 3 499.059 3.838 20 0 JHADHN CCC[C@@H]1CN(c2nnc(-c3ccc(Br)cc3)n2CCC(C)(C)O)CCN1CCOC ZINC001306621269 1069309035 /nfs/dbraw/zinc/30/90/35/1069309035.db2.gz XMQGFANBRBMFRK-HXUWFJFHSA-N 0 3 494.478 3.806 20 0 JHADHN CCOC(=O)c1cnc(C(F)(F)N2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)nc1Cl ZINC001164618237 719055950 /nfs/dbraw/zinc/05/59/50/719055950.db2.gz AFNDANMGQHQQGT-WMZOPIPTSA-N 0 3 450.917 3.952 20 0 JHADHN CNC(=O)CN1CCCC12CCN(c1cc(Cl)nc(-c3ccc(F)c(Cl)c3)n1)CC2 ZINC001164689376 719752636 /nfs/dbraw/zinc/75/26/36/719752636.db2.gz DDNQZNNYMFGZJB-UHFFFAOYSA-N 0 3 452.361 3.770 20 0 JHADHN O=C(NCCSCc1ccco1)c1cccnc1N1CC[C@@H]2[C@@H]1CCN2Cc1cccnc1 ZINC001164721813 720406618 /nfs/dbraw/zinc/40/66/18/720406618.db2.gz BGVYIZAXSIVAOH-PKTZIBPZSA-N 0 3 463.607 3.586 20 0 JHADHN Fc1ccc(-c2nnc(N3CCN4C[C@@H](Oc5cncnc5)C[C@H]4C3)c3ccccc32)cc1F ZINC001164744153 720759469 /nfs/dbraw/zinc/75/94/69/720759469.db2.gz RHKNOKRMGIFGNA-ROUUACIJSA-N 0 3 460.488 3.707 20 0 JHADHN CC(C)N(C)Cc1cnc2n1CCN(c1ncnc3c1ccn3COC(=O)C(C)(C)C)[C@H]2C ZINC001164858644 720963195 /nfs/dbraw/zinc/96/31/95/720963195.db2.gz JSRNYSIJYVDASC-KRWDZBQOSA-N 0 3 453.591 3.596 20 0 JHADHN Clc1cccc(COc2cncc(N3CCN4C[C@@H](OCc5cccnc5)C[C@@H]4C3)n2)c1 ZINC001164881218 721183264 /nfs/dbraw/zinc/18/32/64/721183264.db2.gz ZZLJQZWIPGGOSK-YADHBBJMSA-N 0 3 451.958 3.584 20 0 JHADHN CCN(CC)Cc1nc2sc(C)c(C)c2c(N2C[C@H]3CCN(Cc4cnn(C)c4)C[C@H]3C2)n1 ZINC001164768733 721201440 /nfs/dbraw/zinc/20/14/40/721201440.db2.gz LQFPCHHNGXQUBH-RTWAWAEBSA-N 0 3 467.687 3.842 20 0 JHADHN Cn1cc(CN2CC[C@@H]3CN([C@@H](F)Oc4cccc(-c5ccc(Cl)nn5)c4)C[C@@H]3C2)cn1 ZINC001164774492 721218354 /nfs/dbraw/zinc/21/83/54/721218354.db2.gz ZTVBURXFZSVZCW-SELNLUPBSA-N 0 3 456.953 3.616 20 0 JHADHN COc1cc2ccnc(N3CCC[C@@]4(C3)COCCN(Cc3c(C)noc3C)C4)c2cc1OC ZINC001164780020 721352227 /nfs/dbraw/zinc/35/22/27/721352227.db2.gz YMBMZLOUDKMYHL-AREMUKBSSA-N 0 3 466.582 3.976 20 0 JHADHN COc1cc2nc(Cl)nc(N3CCN4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)c2cc1OC ZINC001164905185 721526299 /nfs/dbraw/zinc/52/62/99/721526299.db2.gz GIJPHSQHMPHFJT-NVXWUHKLSA-N 0 3 458.921 3.781 20 0 JHADHN FC1(F)CCN(c2ncnc3cc4c(cc32)OCCO4)C[C@@]12CCN(Cc1ccccn1)C2 ZINC001164905410 721691617 /nfs/dbraw/zinc/69/16/17/721691617.db2.gz JBUCAEXTLSAXHZ-QHCPKHFHSA-N 0 3 453.493 3.534 20 0 JHADHN CCOC(=O)c1cnc2cc(N3CCC(F)(F)[C@@]4(CCN(Cc5ccccn5)C4)C3)[nH]cc1-2 ZINC001164906189 721722081 /nfs/dbraw/zinc/72/20/81/721722081.db2.gz KRVFNAJODFAJFQ-HSZRJFAPSA-N 0 3 455.509 3.872 20 0 JHADHN COc1cc(OC)c2ncnc(N3CCC(F)(F)[C@]4(CCN(Cc5ccccn5)C4)C3)c2c1 ZINC001164913863 721736690 /nfs/dbraw/zinc/73/66/90/721736690.db2.gz ZADNFZIZKMXBTE-QHCPKHFHSA-N 0 3 455.509 3.780 20 0 JHADHN Cc1nc(CN2CCOC[C@]3(CN(c4nc(N5CCCC5)cc5ccccc54)CCO3)C2)cs1 ZINC001164921107 721832787 /nfs/dbraw/zinc/83/27/87/721832787.db2.gz IIHFTNGIQRPTMF-AREMUKBSSA-N 0 3 479.650 3.708 20 0 JHADHN O=C1OC2(CCN(Cc3ccccc3)CC2)c2cnc(Cl)c(N3CCN(C[C@@H]4CCCO4)CC3)c21 ZINC001165039532 721916048 /nfs/dbraw/zinc/91/60/48/721916048.db2.gz SJBKMQOUYSVLQX-NRFANRHFSA-N 0 3 497.039 3.698 20 0 JHADHN FC(F)(c1cnc(Cl)nc1Cl)N1CCC2(CC1)COCCN(Cc1ccncc1)C2 ZINC001164960467 722052180 /nfs/dbraw/zinc/05/21/80/722052180.db2.gz OOJUNJSDQFEIOD-UHFFFAOYSA-N 0 3 458.340 3.842 20 0 JHADHN FC(F)(c1cnc2c(Cl)ncnc2c1)N1CCC2(CC1)COCCN(Cc1ccncc1)C2 ZINC001164963346 722058854 /nfs/dbraw/zinc/05/88/54/722058854.db2.gz XDNOHNJZXAJARF-UHFFFAOYSA-N 0 3 474.943 3.737 20 0 JHADHN COC(=O)c1cnc(Cl)cc1C(F)(F)N1CCC2(CC1)COCCN(Cc1ccncc1)C2 ZINC001164960011 722059160 /nfs/dbraw/zinc/05/91/60/722059160.db2.gz CPFTWMDAZZORJP-UHFFFAOYSA-N 0 3 480.943 3.581 20 0 JHADHN FC(F)(c1nc(Cl)c2ccccc2n1)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164980770 722102427 /nfs/dbraw/zinc/10/24/27/722102427.db2.gz KJAGZRHGDCPZGY-PXNSSMCTSA-N 0 3 459.928 3.950 20 0 JHADHN c1ccc(CN2CCc3nc(N4CC[C@@H]5CN(Cc6cccnc6)CCO[C@H]5C4)ccc3C2)cc1 ZINC001164974947 722109166 /nfs/dbraw/zinc/10/91/66/722109166.db2.gz JDIRNMNLTIBDSD-IAPPQJPRSA-N 0 3 469.633 3.762 20 0 JHADHN O=C(c1ccccc1)n1ccc2ccc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)nc21 ZINC001164980342 722136210 /nfs/dbraw/zinc/13/62/10/722136210.db2.gz MZBPAKGOWKNOLR-LOSJGSFVSA-N 0 3 467.573 3.847 20 0 JHADHN CCOC(=O)c1ccc2nc(Cl)nc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)c2c1 ZINC001164981493 722137630 /nfs/dbraw/zinc/13/76/30/722137630.db2.gz OZSNRPSZGHSSSJ-KNQAVFIVSA-N 0 3 481.984 3.582 20 0 JHADHN O=C(OCc1ccccc1)c1ccc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)nc1 ZINC001164979640 722145616 /nfs/dbraw/zinc/14/56/16/722145616.db2.gz LPYNEKUNYWVIER-LOSJGSFVSA-N 0 3 458.562 3.561 20 0 JHADHN Cc1cc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)nc(-c2ccc(Cl)nc2)n1 ZINC001164974038 722151846 /nfs/dbraw/zinc/15/18/46/722151846.db2.gz OFBIINIEXPORLD-LEWJYISDSA-N 0 3 450.974 3.623 20 0 JHADHN CCC[C@@H]1CN(c2nnc(-c3cccc(C)n3)n2C[C@@](C)(O)c2cc(C)oc2C)CCN1CCOC ZINC001306624190 1069317136 /nfs/dbraw/zinc/31/71/36/1069317136.db2.gz MLJVJBJGMUGAJO-AJTFRIOCSA-N 0 3 496.656 3.703 20 0 JHADHN CCC[C@H]1CN(c2nnc(Cc3cccnc3)n2CC(C)(C)C(F)(F)F)CCN1CCOC ZINC001306627584 1069324588 /nfs/dbraw/zinc/32/45/88/1069324588.db2.gz FTNZKPSKSKAMQL-IBGZPJMESA-N 0 3 468.568 3.790 20 0 JHADHN O=C(NCCCN1CCN(Cc2ccccc2)CC1)Nc1nn(CC(F)F)c2ccccc21 ZINC001311337232 1069329030 /nfs/dbraw/zinc/32/90/30/1069329030.db2.gz TUFKWCBCDMGTSC-UHFFFAOYSA-N 0 3 456.541 3.631 20 0 JHADHN CCC[C@@H]1CN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@H](C)N2CCN(CC)CC2)CCO1 ZINC001306632082 1069333188 /nfs/dbraw/zinc/33/31/88/1069333188.db2.gz JMEMUWYIICCSGD-UKILVPOCSA-N 0 3 484.689 3.505 20 0 JHADHN CCC[C@H]1CN(c2nnc(-c3ccccc3F)n2Cc2ncccc2C)CCN1CCOC ZINC001306638543 1069348382 /nfs/dbraw/zinc/34/83/82/1069348382.db2.gz AHRYJIWGBZLBHC-FQEVSTJZSA-N 0 3 452.578 3.773 20 0 JHADHN Cc1cccc(N2CCN(CCCCNC(=O)N3C[C@@H](CC(F)(F)F)O[C@@H](C)C3)CC2)c1 ZINC001311381743 1069354440 /nfs/dbraw/zinc/35/44/40/1069354440.db2.gz UCWHUKAMDVJSMN-PZJWPPBQSA-N 0 3 456.553 3.649 20 0 JHADHN COC(=O)Nc1ccc(CNC(=O)NCCCCN2CCN(c3cccc(C)c3)CC2)cc1 ZINC001311382585 1069354979 /nfs/dbraw/zinc/35/49/79/1069354979.db2.gz YVRHBGBUXYZACY-UHFFFAOYSA-N 0 3 453.587 3.575 20 0 JHADHN CC[C@@H](CNC(=O)N1CC2(C1)CCCN(C(=O)OC(C)(C)C)C2)N1CCc2ccccc2C1 ZINC001311396887 1069361137 /nfs/dbraw/zinc/36/11/37/1069361137.db2.gz PWKITXBJAITDBK-QFIPXVFZSA-N 0 3 456.631 3.866 20 0 JHADHN 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ZINC001310035474 1071074668 /nfs/dbraw/zinc/07/46/68/1071074668.db2.gz ABHFZAVQWULUSP-UHFFFAOYSA-N 0 3 457.619 3.693 20 0 JHADHN CCN(Cc1ccccc1F)c1nnc([C@@]2(OC(C)C)CCOC2)n1CCN1CCCCC1 ZINC001313745075 1071072667 /nfs/dbraw/zinc/07/26/67/1071072667.db2.gz LLLPOGWNFLVICT-RUZDIDTESA-N 0 3 459.610 3.970 20 0 JHADHN CCN1CCN(c2ccc(NC(=O)N[C@H](CO)c3ccccc3OC(F)(F)F)cc2)CC1 ZINC001310035628 1071074575 /nfs/dbraw/zinc/07/45/75/1071074575.db2.gz COWNTFWVULYXJT-LJQANCHMSA-N 0 3 452.477 3.582 20 0 JHADHN CC(=O)Nc1ccc(CN2CCC(NC(=O)Nc3nnc(-c4ccccc4)s3)CC2)cc1 ZINC001310039286 1071077771 /nfs/dbraw/zinc/07/77/71/1071077771.db2.gz SFLDNVBJKBRIMQ-UHFFFAOYSA-N 0 3 450.568 3.950 20 0 JHADHN CCN(Cc1cccs1)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC1(N(C)C)CCC1 ZINC001313748020 1071078143 /nfs/dbraw/zinc/07/81/43/1071078143.db2.gz NGEVERXIJNFTIS-UHFFFAOYSA-N 0 3 473.668 3.921 20 0 JHADHN CCN(Cc1cnn(C)c1)c1nnc([C@H]2CCCCO2)n1C[C@@H](c1cccc(OC)c1)N(C)C ZINC001313752867 1071089716 /nfs/dbraw/zinc/08/97/16/1071089716.db2.gz MAUBSHAEQIZSLT-XZOQPEGZSA-N 0 3 467.618 3.591 20 0 JHADHN CCOC(=O)c1cnn(-c2ccc(NC(=O)N(CCN(C)C)C(C)C)cc2)c1C(F)(F)F ZINC001310116398 1071128701 /nfs/dbraw/zinc/12/87/01/1071128701.db2.gz NLJJZLLXXHPJEG-UHFFFAOYSA-N 0 3 455.481 3.872 20 0 JHADHN CN(C)[C@H](Cn1c(-c2ccc[nH]2)nnc1N(C)CC1COC(C)(C)OC1)c1ccc(F)cc1 ZINC001314818521 1071129413 /nfs/dbraw/zinc/12/94/13/1071129413.db2.gz FJLZKWGPAYHRIJ-OAQYLSRUSA-N 0 3 456.566 3.551 20 0 JHADHN CCOC(=O)c1cnn(-c2cccc(NC(=O)N(CCN(C)C)C(C)C)c2)c1C(F)(F)F ZINC001310117168 1071130330 /nfs/dbraw/zinc/13/03/30/1071130330.db2.gz BRJGJLGFYWEFDF-UHFFFAOYSA-N 0 3 455.481 3.872 20 0 JHADHN CN(C)[C@@H](Cn1c(-c2ccccn2)nnc1N(C)CC1COC(C)(C)OC1)c1cccs1 ZINC001314820387 1071136079 /nfs/dbraw/zinc/13/60/79/1071136079.db2.gz ZNWMQJXKYJJFCW-IBGZPJMESA-N 0 3 456.616 3.540 20 0 JHADHN Cc1cccc(NC(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)c1C(=O)N1CCCC1 ZINC001310125742 1071137039 /nfs/dbraw/zinc/13/70/39/1071137039.db2.gz AOQACNQTWIXTPU-JOCHJYFZSA-N 0 3 450.583 3.644 20 0 JHADHN CN(CCCc1ccccn1)c1nnc([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)n1CCN1CC=CCC1 ZINC001314842575 1071192692 /nfs/dbraw/zinc/19/26/92/1071192692.db2.gz JVFIJWQHARSVQP-DKXQDJALSA-N 0 3 495.672 3.775 20 0 JHADHN COc1ccc([C@H](CN(C)C)NC(=O)Nc2cc(OC)c(OC)cc2Br)cc1 ZINC001310193647 1071198909 /nfs/dbraw/zinc/19/89/09/1071198909.db2.gz XJJHHRKRTBCRKM-KRWDZBQOSA-N 0 3 452.349 3.899 20 0 JHADHN CN(CCCCc1ccccc1)c1nnc([C@@H]2CCCOC2)n1CCN1CCN(C)C(C)(C)C1 ZINC001314844600 1071198952 /nfs/dbraw/zinc/19/89/52/1071198952.db2.gz FVDCMBYLOWYUDQ-XMMPIXPASA-N 0 3 468.690 3.657 20 0 JHADHN CCN(CCn1c(-c2cccc(Cl)c2)nnc1N1CCN(C)C(=O)[C@H]1C)CCC(F)(F)F ZINC001313803363 1071211259 /nfs/dbraw/zinc/21/12/59/1071211259.db2.gz PQPWVLPPSJGOKD-OAHLLOKOSA-N 0 3 472.943 3.540 20 0 JHADHN CCN(CCn1c(-c2cc(Br)cn2C)nnc1N(C)[C@@H]1CCOC1)CCC(F)(F)F ZINC001313804279 1071214335 /nfs/dbraw/zinc/21/43/35/1071214335.db2.gz DMDTUANMEHUYON-OAHLLOKOSA-N 0 3 493.372 3.546 20 0 JHADHN CCN(C(=O)Nc1ccc(CCN2CCSCC2)cc1)[C@H]1CCN(c2ccccc2)C1=O ZINC001310217152 1071214362 /nfs/dbraw/zinc/21/43/62/1071214362.db2.gz DCSPQNLKWOGHAH-QHCPKHFHSA-N 0 3 452.624 3.937 20 0 JHADHN COc1ccc(OC)c([C@@H](O)[C@H](C)NC(=O)Nc2ccc(CCN3CCSCC3)cc2)c1 ZINC001310217939 1071215007 /nfs/dbraw/zinc/21/50/07/1071215007.db2.gz NUBNTCHMARRYTB-SBUREZEXSA-N 0 3 459.612 3.539 20 0 JHADHN CCN(CCn1c(-c2cc3c(s2)CCCCC3)nnc1N(C)[C@@H](C)CS(C)(=O)=O)C(C)C ZINC001313805227 1071218865 /nfs/dbraw/zinc/21/88/65/1071218865.db2.gz IKBMMCSGHXTFMA-SFHVURJKSA-N 0 3 481.732 3.875 20 0 JHADHN CN(CCCn1c(Cc2ccsc2)nnc1N1CCN(C(C)(C)C)CC1)CC(F)(F)F ZINC001314851935 1071224613 /nfs/dbraw/zinc/22/46/13/1071224613.db2.gz HLIBOUMBCIBARL-UHFFFAOYSA-N 0 3 458.598 3.735 20 0 JHADHN CC[C@H](CNC(=O)Nc1ccc(CN2C(=O)CSC2=O)cc1)N1CCc2ccccc2C1 ZINC001310234530 1071226427 /nfs/dbraw/zinc/22/64/27/1071226427.db2.gz RUUJBTBWESQIBD-OAQYLSRUSA-N 0 3 452.580 3.840 20 0 JHADHN CCN(CCn1c(-c2ccccc2)nnc1N1C[C@H](C)O[C@]2(CCOC2)C1)CCC(F)(F)F 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/nfs/dbraw/zinc/25/02/42/1071250242.db2.gz UCQQOFPWBFCACK-KRWDZBQOSA-N 0 3 485.551 3.852 20 0 JHADHN CCN(CCn1c(-c2cnccn2)nnc1N1CCOC2(C1)CCCCCC2)CCC(F)(F)F ZINC001313812702 1071251501 /nfs/dbraw/zinc/25/15/01/1071251501.db2.gz NMLLXZBOMHGXGY-UHFFFAOYSA-N 0 3 481.567 3.939 20 0 JHADHN CCN(CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C)(c2ccc(C)cc2)CC1)C(C)C ZINC001313814306 1071257726 /nfs/dbraw/zinc/25/77/26/1071257726.db2.gz KBAXRHSFQHFXGP-JOCHJYFZSA-N 0 3 487.714 3.777 20 0 JHADHN COCCN1CC[C@@H](NC(=O)Nc2cccc(NC(=O)c3cccc(C(F)(F)F)c3)c2)C1 ZINC001310282798 1071267904 /nfs/dbraw/zinc/26/79/04/1071267904.db2.gz SNVCSPOBOLJMJC-LJQANCHMSA-N 0 3 450.461 3.800 20 0 JHADHN CN(CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)CCc1cnccn1)Cc1ccccc1 ZINC001314866808 1071271703 /nfs/dbraw/zinc/27/17/03/1071271703.db2.gz CFRZTBNTRIDMQS-DNQXCXABSA-N 0 3 477.657 3.798 20 0 JHADHN CCN(CCS(C)(=O)=O)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)n1CCCN1CCCCC1 ZINC001313823087 1071287500 /nfs/dbraw/zinc/28/75/00/1071287500.db2.gz 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CCN1C[C@H](C)N(c2nnc(-c3cc(OC)cc(OC)c3)n2Cc2nccn2C(F)F)C[C@@H]1C ZINC001313858531 1071360007 /nfs/dbraw/zinc/36/00/07/1071360007.db2.gz BLBYNGUFYUZYAD-HOTGVXAUSA-N 0 3 475.544 3.521 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3cc(OC)ccc3Br)n2C[C@@H](F)COC)C[C@@H]1C ZINC001313858566 1071360652 /nfs/dbraw/zinc/36/06/52/1071360652.db2.gz BRZMXGJBHARNRW-HRCADAONSA-N 0 3 484.414 3.620 20 0 JHADHN CCN1C[C@H](C)N(c2nnc([C@]3(OC(C)C)CCOC3)n2CC(C)(C)c2ccccn2)C[C@@H]1C ZINC001313858632 1071360795 /nfs/dbraw/zinc/36/07/95/1071360795.db2.gz BKTRXYYZSXZNJC-WOVHNISZSA-N 0 3 470.662 3.610 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(-c3cccc(Br)c3)n2CCC2(O)CCOCC2)C[C@H]1C ZINC001313860087 1071366264 /nfs/dbraw/zinc/36/62/64/1071366264.db2.gz IZMIJOGPEITFCK-QZTJIDSGSA-N 0 3 492.462 3.558 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3cc(Br)cn3C)n2Cc2ccc(C)nc2)C[C@@H]1C ZINC001313860797 1071371319 /nfs/dbraw/zinc/37/13/19/1071371319.db2.gz LKZTVEZXWJMMID-IRXDYDNUSA-N 0 3 472.435 3.717 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(OCC(C)C)cc2)C[C@H]1C ZINC001313859858 1071366700 /nfs/dbraw/zinc/36/67/00/1071366700.db2.gz LQFIJFCOMQBPOV-NHCUHLMSSA-N 0 3 468.646 3.516 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3cc(Br)cn3C)n2CC2(SC)CC2)C[C@H]1C ZINC001313860094 1071367803 /nfs/dbraw/zinc/36/78/03/1071367803.db2.gz JANOBGZFLXDFBZ-CABCVRRESA-N 0 3 467.481 3.861 20 0 JHADHN CCN1C[C@H](C)N(c2nnc([C@H](C)Oc3c(C)cc(Cl)cc3C)n2Cc2nncn2C)C[C@H]1C ZINC001313860373 1071368748 /nfs/dbraw/zinc/36/87/48/1071368748.db2.gz JTAWQCQRGUGUOM-QYZOEREBSA-N 0 3 487.052 3.784 20 0 JHADHN CCN1C[C@H](C)N(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2C[C@H](F)COC)C[C@H]1C ZINC001313860358 1071369326 /nfs/dbraw/zinc/36/93/26/1071369326.db2.gz JQVZVFFKUYMHJD-DFEOGRTESA-N 0 3 453.990 3.975 20 0 JHADHN CC[C@@H](C)NS(=O)(=O)c1cccc(NC(=O)NC[C@H]2CCCCN2Cc2ccccc2)c1 ZINC001310407490 1071372067 /nfs/dbraw/zinc/37/20/67/1071372067.db2.gz KKMLSXDJYDUKPX-DENIHFKCSA-N 0 3 458.628 3.940 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3cc(OC)cc(OC)c3)n2C[C@](C)(OC)C2CC2)C[C@@H]1C ZINC001313860667 1071371105 /nfs/dbraw/zinc/37/11/05/1071371105.db2.gz MWDAFXPHYVXBMR-RPPIVITFSA-N 0 3 457.619 3.696 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCC2CCOCC2)C[C@@H]1C ZINC001313861210 1071372914 /nfs/dbraw/zinc/37/29/14/1071372914.db2.gz PHPNCIYJEDVGPQ-RBUKOAKNSA-N 0 3 489.064 3.597 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3nn(CC)c(=O)c4ccccc43)n2CCCCSC)C[C@H]1C ZINC001313861075 1071373002 /nfs/dbraw/zinc/37/30/02/1071373002.db2.gz BVNDXDKHCFKZHX-MOPGFXCFSA-N 0 3 483.686 3.737 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@](C)(OC)C2CC2)C[C@@H]1C ZINC001313861287 1071373774 /nfs/dbraw/zinc/37/37/74/1071373774.db2.gz QDWLSSRMQXAQNF-RPPIVITFSA-N 0 3 489.064 3.596 20 0 JHADHN Cc1cc(Br)c2ccccc2c1NC(=O)N1CCN(C(=O)CN2CCCC2)CC1 ZINC001310410338 1071374625 /nfs/dbraw/zinc/37/46/25/1071374625.db2.gz YMJXLRREPXWEIO-UHFFFAOYSA-N 0 3 459.388 3.683 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2C[C@@](C)(O)C2CC2)C[C@H]1C ZINC001313862477 1071376936 /nfs/dbraw/zinc/37/69/36/1071376936.db2.gz BEOHKJYGBWAIOY-UYXZNNOOSA-N 0 3 471.646 3.821 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(-c3sc(-c4ccccc4)nc3C)n2CCCNC(C)=O)C[C@@H]1C ZINC001313863297 1071381608 /nfs/dbraw/zinc/38/16/08/1071381608.db2.gz SWHSSCBDKSQFJM-ZWKOTPCHSA-N 0 3 481.670 3.822 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@H]2CC[C@H](F)C2)C[C@H]1C ZINC001313863656 1071382234 /nfs/dbraw/zinc/38/22/34/1071382234.db2.gz WGCRRJCMGDIFSJ-FKPGQJDZSA-N 0 3 477.028 3.919 20 0 JHADHN CCN1C[C@H](C)N(c2nnc([C@H]3CCOC3)n2Cc2ccc(OCC(F)(F)F)cc2)C[C@H]1C ZINC001313863790 1071382526 /nfs/dbraw/zinc/38/25/26/1071382526.db2.gz BAYOGSBANFXYNB-AOIWGVFYSA-N 0 3 467.536 3.690 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCC(F)(F)F)C[C@H]1C ZINC001313862672 1071378272 /nfs/dbraw/zinc/37/82/72/1071378272.db2.gz UEWBYIXBVGJRRP-HZPDHXFCSA-N 0 3 473.565 3.610 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(-c3cccc(OC)c3)n2CCN(C)C(=O)OC(C)(C)C)C[C@H]1C ZINC001313863011 1071379523 /nfs/dbraw/zinc/37/95/23/1071379523.db2.gz UJWLZEDIUYVJNR-RTBURBONSA-N 0 3 472.634 3.740 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3sc(-c4ccccc4)nc3C)n2CCCNC(C)=O)C[C@@H]1C ZINC001313863296 1071381272 /nfs/dbraw/zinc/38/12/72/1071381272.db2.gz SWHSSCBDKSQFJM-ROUUACIJSA-N 0 3 481.670 3.822 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3ccc(Cl)nc3)n2CC[C@H](OC)C(F)(F)F)C[C@@H]1C ZINC001313863958 1071383886 /nfs/dbraw/zinc/38/38/86/1071383886.db2.gz FFZDFMWUFMXKBL-DZKIICNBSA-N 0 3 460.932 3.880 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCc2cccs2)C[C@H]1C ZINC001313864201 1071386428 /nfs/dbraw/zinc/38/64/28/1071386428.db2.gz YAERXDBDPMYLJB-QZTJIDSGSA-N 0 3 473.668 3.572 20 0 JHADHN CCN1C[C@H](C)N(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CC2(O)CCOCC2)C[C@H]1C ZINC001313864456 1071387162 /nfs/dbraw/zinc/38/71/62/1071387162.db2.gz VCEZWNZXGVFTPA-QYZOEREBSA-N 0 3 478.037 3.532 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(Cl)cc2)C[C@@H]1C ZINC001313865251 1071391063 /nfs/dbraw/zinc/39/10/63/1071391063.db2.gz YRDITIBSZQSTJR-IRXDYDNUSA-N 0 3 453.978 3.546 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(C3CCN(c4ncccn4)CC3)n2CC(CC)(CC)OC)C[C@H]1C ZINC001313865516 1071392917 /nfs/dbraw/zinc/39/29/17/1071392917.db2.gz DYZSGCOPWGHNEA-NHCUHLMSSA-N 0 3 484.693 3.576 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(CCc3ccccc3)n2Cc2nccc(C(F)F)n2)C[C@@H]1C ZINC001313865478 1071393101 /nfs/dbraw/zinc/39/31/01/1071393101.db2.gz BAFHMHMTNCMBCK-ZWKOTPCHSA-N 0 3 455.557 3.758 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(CCc3ccccc3)n2CCC(=O)N2CCCCCC2)C[C@H]1C ZINC001313866272 1071395216 /nfs/dbraw/zinc/39/52/16/1071395216.db2.gz FSPITVLRUJQVFN-DHIUTWEWSA-N 0 3 466.674 3.775 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(CCc3ccccc3)n2CCC(=O)N2CCCCCC2)C[C@@H]1C ZINC001313866275 1071395345 /nfs/dbraw/zinc/39/53/45/1071395345.db2.gz FSPITVLRUJQVFN-GOTSBHOMSA-N 0 3 466.674 3.775 20 0 JHADHN CCN1C[C@H](C)N(c2nnc([C@H](C)OCCOC)n2Cc2ccc3ncccc3c2)C[C@@H]1C ZINC001313866400 1071396130 /nfs/dbraw/zinc/39/61/30/1071396130.db2.gz ZGWXKWHBRKPKPC-UFYCRDLUSA-N 0 3 452.603 3.518 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3n[nH]c(=O)c4ccccc43)n2CCCC(F)(F)F)C[C@H]1C ZINC001313867434 1071399761 /nfs/dbraw/zinc/39/97/61/1071399761.db2.gz SUVRVWXXNFDPLN-CABCVRRESA-N 0 3 463.508 3.855 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3cnccn3)n2CC(CC)(CC)NC(=O)OC(C)(C)C)C[C@H]1C ZINC001313866939 1071397309 /nfs/dbraw/zinc/39/73/09/1071397309.db2.gz RIMXMWYFOWGYOY-MOPGFXCFSA-N 0 3 486.665 3.738 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(CCc3ccccc3)n2CCCNC(=O)OC(C)(C)C)C[C@H]1C ZINC001313867270 1071400067 /nfs/dbraw/zinc/40/00/67/1071400067.db2.gz IYFCQEKRTXAJOK-NHCUHLMSSA-N 0 3 470.662 3.897 20 0 JHADHN Cc1cc(NC(=O)NCC2(O)CCN(Cc3ccccc3)CC2)cnc1N1CCCC[C@H]1C ZINC001310463612 1071406599 /nfs/dbraw/zinc/40/65/99/1071406599.db2.gz KOZFZYPKTLJSTP-OAQYLSRUSA-N 0 3 451.615 3.917 20 0 JHADHN CCN1C[C@H](C)N(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@H]2OCC[C@H]2C)C[C@@H]1C ZINC001313868757 1071406652 /nfs/dbraw/zinc/40/66/52/1071406652.db2.gz NOLWDRUUFPVDEX-CDJZJNNCSA-N 0 3 490.693 3.737 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(Cc3ccsc3)n2CCCN(C)CC(F)(F)F)C[C@@H]1C ZINC001313870107 1071411402 /nfs/dbraw/zinc/41/14/02/1071411402.db2.gz SCVPPFPQTDGABX-DLBZAZTESA-N 0 3 458.598 3.734 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(Cc3ccccn3)n2Cc2ccc(NC(=O)NC(C)C)cc2)C[C@@H]1C ZINC001313868872 1071407328 /nfs/dbraw/zinc/40/73/28/1071407328.db2.gz BOAZFEJCNZXROW-SFTDATJTSA-N 0 3 490.656 3.761 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3ccccn3)n2C[C@@](O)(c2ccccc2)C(F)(F)F)C[C@H]1C ZINC001313870000 1071411560 /nfs/dbraw/zinc/41/15/60/1071411560.db2.gz DQPMYVGHBNVHSL-IEGUWTFLSA-N 0 3 474.531 3.709 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3ccccc3Cl)n2CCN2CCOC(C)(C)C2)C[C@H]1C ZINC001313870090 1071411599 /nfs/dbraw/zinc/41/15/99/1071411599.db2.gz FNDMSCPOSWEFPJ-MOPGFXCFSA-N 0 3 461.054 3.628 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(CCCc3ccccc3)n2CCNC(=O)OC(C)(C)C)C[C@H]1C ZINC001313869431 1071409321 /nfs/dbraw/zinc/40/93/21/1071409321.db2.gz PTABRAZMNJWWQL-RTWAWAEBSA-N 0 3 470.662 3.897 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(CCc3ccc(OC)cc3)n2CCc2nccs2)C[C@H]1C ZINC001313870632 1071414205 /nfs/dbraw/zinc/41/42/05/1071414205.db2.gz VEMCLPKJFTXSRX-MOPGFXCFSA-N 0 3 454.644 3.690 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CCCCOC)C[C@@H]1C ZINC001313870878 1071415085 /nfs/dbraw/zinc/41/50/85/1071415085.db2.gz ROOSLAVIIFQTHL-VQTJNVASSA-N 0 3 478.682 3.738 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(CCc3ccc(OC)cc3)n2CC(F)(F)Br)C[C@H]1C ZINC001313870674 1071415170 /nfs/dbraw/zinc/41/51/70/1071415170.db2.gz VMZBVDGVBHEBMR-CVEARBPZSA-N 0 3 486.405 3.979 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(CCc3ccccc3)n2CC[C@@H](OC)C(F)(F)F)C[C@@H]1C ZINC001313870731 1071415188 /nfs/dbraw/zinc/41/51/88/1071415188.db2.gz VVYPZPXLZZFSKJ-CMKODMSKSA-N 0 3 453.553 3.950 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(-c3ccc(Cl)nc3)n2Cc2cccc(NC(C)=O)c2)C[C@@H]1C ZINC001313871946 1071419210 /nfs/dbraw/zinc/41/92/10/1071419210.db2.gz VWURENBFKSKMDG-DLBZAZTESA-N 0 3 468.005 3.919 20 0 JHADHN Cc1cc(NC(=O)NCCCN2CCN(C)C[C@H]2c2ccccc2)nn1-c1cccc(F)c1 ZINC001310478160 1071420020 /nfs/dbraw/zinc/42/00/20/1071420020.db2.gz JHQLXNWBSXXFSZ-QHCPKHFHSA-N 0 3 450.562 3.820 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(-c3ccc(F)cc3Br)n2CCc2ccn(C)n2)C[C@H]1C ZINC001313872432 1071421093 /nfs/dbraw/zinc/42/10/93/1071421093.db2.gz XHFGRAYTEGYACE-HZPDHXFCSA-N 0 3 490.425 3.742 20 0 JHADHN CCN1C[C@H](C)N(c2nnc([C@@H]3CCOC3)n2CCc2ccccc2C(F)(F)F)C[C@@H]1C ZINC001313872569 1071421892 /nfs/dbraw/zinc/42/18/92/1071421892.db2.gz WWAGIIUJTAERET-JENIJYKNSA-N 0 3 451.537 3.962 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(Cn3nc(C)cc3C)n2CCc2c(F)cccc2F)C[C@H]1C ZINC001313873057 1071423717 /nfs/dbraw/zinc/42/37/17/1071423717.db2.gz BQOCCNGBUQDPIF-RTBURBONSA-N 0 3 457.573 3.580 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(CNC(=O)c3cccs3)n2C[C@H](C)c2ccccc2)C[C@H]1C ZINC001313873515 1071425402 /nfs/dbraw/zinc/42/54/02/1071425402.db2.gz CSRUPFZXMQRLTB-ZCNNSNEGSA-N 0 3 466.655 3.992 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(CC(C)C)n2Cc2ccnc(OCC(F)(F)F)c2)C[C@@H]1C ZINC001313873750 1071426416 /nfs/dbraw/zinc/42/64/16/1071426416.db2.gz MCGFWXUQAOVOOU-IRXDYDNUSA-N 0 3 454.541 3.780 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(Cc3ccncc3)n2Cc2ccnc(C(F)(F)F)c2)C[C@@H]1C ZINC001313873757 1071426528 /nfs/dbraw/zinc/42/65/28/1071426528.db2.gz MCXKUQPTBRWOKW-DLBZAZTESA-N 0 3 459.520 3.645 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3ccccn3)n2C[C@H]2CCCN2C(=O)OC(C)(C)C)C[C@@H]1C ZINC001313875339 1071433909 /nfs/dbraw/zinc/43/39/09/1071433909.db2.gz RTTSYFDXRWOOMV-SLFFLAALSA-N 0 3 469.634 3.659 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(COc3ccc(C)c(C)c3)n2Cc2ccc(F)cn2)C[C@H]1C ZINC001313874728 1071430377 /nfs/dbraw/zinc/43/03/77/1071430377.db2.gz JUKZFYTVWITCNH-WOJBJXKFSA-N 0 3 452.578 3.975 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3ccccn3)n2C[C@](C)(O)c2ccccc2Cl)C[C@@H]1C ZINC001313876587 1071438185 /nfs/dbraw/zinc/43/81/85/1071438185.db2.gz UIOKWUZGGWLTCR-XFAGBWLFSA-N 0 3 455.006 3.820 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(Cc3ccncc3)n2C[C@@H](C)Oc2ccc(F)cc2)C[C@@H]1C ZINC001313876869 1071439210 /nfs/dbraw/zinc/43/92/10/1071439210.db2.gz SNYWXXIKQQRFHA-SLFFLAALSA-N 0 3 452.578 3.789 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(COc3ccc(C)c(C)c3)n2CCCO[C@H]2CCOC2)C[C@H]1C ZINC001313875534 1071434844 /nfs/dbraw/zinc/43/48/44/1071434844.db2.gz MOKMIBOKRVPTJQ-GPXNEJASSA-N 0 3 471.646 3.588 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(Cn3nc(C)cc3C)n2CCOc2cccc(Cl)c2)C[C@@H]1C ZINC001313875550 1071435488 /nfs/dbraw/zinc/43/54/88/1071435488.db2.gz MSDIELQOLCNZLM-VQTJNVASSA-N 0 3 472.037 3.791 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(COc3ccc(C)c(C)c3)n2Cc2snnc2C)C[C@@H]1C ZINC001313876994 1071439977 /nfs/dbraw/zinc/43/99/77/1071439977.db2.gz QAJODEGOSROPQS-ROUUACIJSA-N 0 3 455.632 3.601 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(Cc3ccncc3)n2Cc2cc(Cl)ccc2OC)C[C@H]1C ZINC001313877417 1071441659 /nfs/dbraw/zinc/44/16/59/1071441659.db2.gz TYFWHRZKNBDFBT-QZTJIDSGSA-N 0 3 455.006 3.893 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(Cc3cccnc3)n2Cc2ccnc(OCC(F)(F)F)c2)C[C@@H]1C ZINC001313878147 1071443709 /nfs/dbraw/zinc/44/37/09/1071443709.db2.gz VJKVCZDRFMGETE-ZWKOTPCHSA-N 0 3 489.546 3.567 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3ccccc3C)n2CC[C@@H](N2CCOCC2)C(F)(F)F)C[C@@H]1C ZINC001313878484 1071444489 /nfs/dbraw/zinc/44/44/89/1071444489.db2.gz YPAYYGGUFVHKSE-JAXLGGSGSA-N 0 3 494.606 3.826 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(COc3ccc(Br)cc3)n2C[C@@H]2CCCOC2)C[C@H]1C ZINC001313878343 1071444566 /nfs/dbraw/zinc/44/45/66/1071444566.db2.gz UHRDZQYIOHSZTN-QYZOEREBSA-N 0 3 492.462 3.965 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(Cn3nc(C)cc3C)n2CCCOc2ccc(OC)cc2)C[C@H]1C ZINC001313878785 1071446018 /nfs/dbraw/zinc/44/60/18/1071446018.db2.gz VRLKIABPQCJTDN-FGZHOGPDSA-N 0 3 481.645 3.536 20 0 JHADHN CCN1CCC[C@@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@@](C)(OC)CC1 ZINC001313895642 1071497815 /nfs/dbraw/zinc/49/78/15/1071497815.db2.gz AVLOFYDTTXZXAL-PXDATVDWSA-N 0 3 489.064 3.741 20 0 JHADHN CNC(=O)CCCN(C)c1nnc(-c2cn(C)c3ccccc23)n1C[C@@H](c1ccsc1)N(C)C ZINC001315025932 1071550373 /nfs/dbraw/zinc/55/03/73/1071550373.db2.gz APBGUCUYACMWCM-QFIPXVFZSA-N 0 3 479.654 3.764 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(-c3ccc(Br)cc3)nnc2N(C)CCC2CC2)CC1 ZINC001313919424 1071556784 /nfs/dbraw/zinc/55/67/84/1071556784.db2.gz BGSACBKQZRCZKM-SFHVURJKSA-N 0 3 475.479 3.970 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(C(C)C)nnc2N2CCO[C@@H](c3ccc(Cl)cc3)C2)CC1 ZINC001313921859 1071562612 /nfs/dbraw/zinc/56/26/12/1071562612.db2.gz TWYKYMCHMFJLRE-DENIHFKCSA-N 0 3 461.054 3.659 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(-c3ccc(C)c(Br)c3)nnc2N2CCC(F)(F)C2)CC1 ZINC001313921922 1071563285 /nfs/dbraw/zinc/56/32/85/1071563285.db2.gz UGVWSHNSAHLGHW-QGZVFWFLSA-N 0 3 497.432 3.887 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(C(C)C)nnc2N2CCC(C(F)(F)F)(C(F)(F)F)C2)CC1 ZINC001313922288 1071563604 /nfs/dbraw/zinc/56/36/04/1071563604.db2.gz UXPLUNRFYNQHDD-OAHLLOKOSA-N 0 3 470.506 3.749 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(C(C)C)nnc2N(C)[C@H](C)c2cccc(N3CCOC3=O)c2)CC1 ZINC001313924071 1071568899 /nfs/dbraw/zinc/56/88/99/1071568899.db2.gz YDTLWZSSYHHSLQ-LEWJYISDSA-N 0 3 483.661 3.582 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(COc3ccc(C)c(C)c3)nnc2N2CCC(F)(F)CC2)CC1 ZINC001313926165 1071575482 /nfs/dbraw/zinc/57/54/82/1071575482.db2.gz ALIOSHZPZDIGAX-NRFANRHFSA-N 0 3 476.616 3.735 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(-c3ccc(OCCC(C)C)cc3)nnc2N2CC[C@@H](C)[C@@H](O)C2)CC1 ZINC001313925239 1071572741 /nfs/dbraw/zinc/57/27/41/1071572741.db2.gz NVTZWLMVEOJQDX-UMFSSWHCSA-N 0 3 498.716 3.603 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(-c3ccc(Cl)nc3)nnc2N(C)Cc2cc(F)cc(F)c2)CC1 ZINC001313925425 1071574057 /nfs/dbraw/zinc/57/40/57/1071574057.db2.gz QCGLDSOFDCMISZ-KRWDZBQOSA-N 0 3 490.002 3.934 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(-c3ccccc3F)nnc2N2CCC[C@@](C)(OC)CC2)CC1 ZINC001313925503 1071574177 /nfs/dbraw/zinc/57/41/77/1071574177.db2.gz RXUHUTNFZFVTQM-NBGIEHNGSA-N 0 3 458.626 3.506 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(-c3ccccc3F)nnc2N2CCC[C@](C)(OC)CC2)CC1 ZINC001313925504 1071574199 /nfs/dbraw/zinc/57/41/99/1071574199.db2.gz RXUHUTNFZFVTQM-NLFFAJNJSA-N 0 3 458.626 3.506 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(COc3cc(C)cc(C)c3)nnc2N2CC(C)(C)OC[C@@H]2C)CC1 ZINC001313926199 1071576264 /nfs/dbraw/zinc/57/62/64/1071576264.db2.gz BLGULLBDZPYVRJ-GOTSBHOMSA-N 0 3 484.689 3.504 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(-c3ccc(OC(C)C)c(OC)c3)nnc2N2CC=CCC2)CC1 ZINC001313926313 1071576280 /nfs/dbraw/zinc/57/62/80/1071576280.db2.gz XBONBKPBNJNLFS-NRFANRHFSA-N 0 3 468.646 3.533 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(COc3ccc(C)cc3)nnc2N2CC[C@@](C)(CC)C2)CC1 ZINC001313926523 1071576915 /nfs/dbraw/zinc/57/69/15/1071576915.db2.gz DGYASEVZZROVHD-BKMJKUGQSA-N 0 3 454.663 3.818 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(-c3ccccc3C)nnc2N2CCC[C@@H](OCC(F)(F)F)C2)CC1 ZINC001313927051 1071578666 /nfs/dbraw/zinc/57/86/66/1071578666.db2.gz ZCRAWWOCCROSFV-LEWJYISDSA-N 0 3 494.606 3.827 20 0 JHADHN CCN1CCN([C@H](C)Cn2c([C@@H]3CCCCO3)nnc2N(C)[C@H](C)c2ccc(OC)cc2)CC1 ZINC001313927639 1071581283 /nfs/dbraw/zinc/58/12/83/1071581283.db2.gz JLVJNSNPZRBRBO-LGVFNWMJSA-N 0 3 470.662 3.752 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(Cc3ccc(F)cc3)nnc2N2CCO[C@](C)(C(C)(C)C)C2)CC1 ZINC001313927603 1071580817 /nfs/dbraw/zinc/58/08/17/1071580817.db2.gz KQTFLJCCFVLEDR-IDISGSTGSA-N 0 3 486.680 3.675 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(CCOc3ccccc3)nnc2N2CCC[C@H](OC(C)(C)C)C2)CC1 ZINC001313928010 1071582434 /nfs/dbraw/zinc/58/24/34/1071582434.db2.gz MVZAQPSAUHJTGI-ZCYQVOJMSA-N 0 3 498.716 3.710 20 0 JHADHN CCN(Cc1ccc(Cl)s1)c1nnc([C@H]2CCCO2)n1C[C@@H](C)N1CCN(CC)CC1 ZINC001313928296 1071583352 /nfs/dbraw/zinc/58/33/52/1071583352.db2.gz UEEUXSHXDUWRTJ-IEBWSBKVSA-N 0 3 467.083 3.897 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(COc3cc(C)ccc3C)nnc2N2CCC=C(C)C2)CC1 ZINC001313929019 1071585868 /nfs/dbraw/zinc/58/58/68/1071585868.db2.gz XAIPLJUMMZUDJJ-QHCPKHFHSA-N 0 3 452.647 3.656 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(Cc3cccnc3)nnc2N(Cc2cccc(F)c2)C(C)C)CC1 ZINC001313929712 1071587327 /nfs/dbraw/zinc/58/73/27/1071587327.db2.gz UEBJOTBFESTKHK-QFIPXVFZSA-N 0 3 479.648 3.844 20 0 JHADHN CCN1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCCN2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC001313941961 1071618957 /nfs/dbraw/zinc/61/89/57/1071618957.db2.gz FRWJCEXUQUAEFV-KMDXXIMOSA-N 0 3 484.689 3.504 20 0 JHADHN CCN1CCN([C@H]2CCN(c3nnc(C(C)(C)C)n3C[C@H](C)Cc3ccc(OC)c(OC)c3)C2)CC1 ZINC001313942642 1071620757 /nfs/dbraw/zinc/62/07/57/1071620757.db2.gz JOABDOGGDOEKID-GGAORHGYSA-N 0 3 498.716 3.688 20 0 JHADHN CCN1CCN([C@@H]2CCN(c3nnc(-c4ccc(C)o4)n3C[C@@H](SC)C(C)(C)C)C2)CC1 ZINC001313944930 1071625556 /nfs/dbraw/zinc/62/55/56/1071625556.db2.gz JRCDWOLXQAZITF-TZIWHRDSSA-N 0 3 460.692 3.840 20 0 JHADHN CCN1CCN([C@H]2CCN(c3nnc(-c4ccccc4C)n3CC(C)(C)CCOC)C2)CC1 ZINC001313944909 1071625708 /nfs/dbraw/zinc/62/57/08/1071625708.db2.gz IUMJRXDBLDCRAS-QFIPXVFZSA-N 0 3 454.663 3.532 20 0 JHADHN CCN1CCN(C[C@@H](C)Cn2c(C3CCCC3)nnc2N(C)Cc2ccccc2OC)CC1 ZINC001313952009 1071643561 /nfs/dbraw/zinc/64/35/61/1071643561.db2.gz CLROHMJGGDFISJ-OAQYLSRUSA-N 0 3 454.663 3.854 20 0 JHADHN CCN1CCN(C[C@H](C)Cn2c([C@H](C)Oc3cccc(Cl)c3)nnc2N2CCOC[C@H]2C)CC1 ZINC001313952336 1071644807 /nfs/dbraw/zinc/64/48/07/1071644807.db2.gz ZCTKYJFILHNHTA-HBMCJLEFSA-N 0 3 491.080 3.570 20 0 JHADHN CCN1CCN(C[C@@H](C)Cn2c(Cc3ccncc3)nnc2N(C)[C@@H](C)c2ccc(F)cc2)CC1 ZINC001313954121 1071650544 /nfs/dbraw/zinc/65/05/44/1071650544.db2.gz APPWQDLYRAEQAU-YADHBBJMSA-N 0 3 479.648 3.874 20 0 JHADHN CCN1CCN(C[C@@H](C)Cn2c(Cc3ccccc3C)nnc2N(C)Cc2ccoc2)CC1 ZINC001313954190 1071650738 /nfs/dbraw/zinc/65/07/38/1071650738.db2.gz AVVJUEYMINPKSB-OAQYLSRUSA-N 0 3 450.631 3.680 20 0 JHADHN CCN1CCN(C[C@H](C)Cn2c(CCOc3ccccc3)nnc2N2CCCCCC2)CC1 ZINC001313955092 1071654312 /nfs/dbraw/zinc/65/43/12/1071654312.db2.gz FFGXHXSDHRFONG-QHCPKHFHSA-N 0 3 454.663 3.554 20 0 JHADHN CCN1CCN(C[C@H](C)Cn2c(Cc3ccccn3)nnc2N(C)[C@@H](C)c2cccs2)CC1 ZINC001313958845 1071665245 /nfs/dbraw/zinc/66/52/45/1071665245.db2.gz YIHQRABJXGPRMC-SFTDATJTSA-N 0 3 467.687 3.796 20 0 JHADHN CCN1CCN(CCCn2c(COc3ccccc3F)nnc2N2CCC(C(F)(F)F)CC2)CC1 ZINC001313959807 1071667577 /nfs/dbraw/zinc/66/75/77/1071667577.db2.gz ARNOVYHOJLRVJI-UHFFFAOYSA-N 0 3 498.569 3.803 20 0 JHADHN CCNC(=O)C(C)(C)Cn1c(CSc2ccccc2OC)nnc1N1C[C@@H](C)N(CC)C[C@H]1C ZINC001313977385 1071710699 /nfs/dbraw/zinc/71/06/99/1071710699.db2.gz MPYGVLYDARVAEQ-RTBURBONSA-N 0 3 488.702 3.660 20 0 JHADHN CCOC(C)(C)Cn1c(-c2cc(Br)cn2C)nnc1N1C[C@H](C)N(CC)C[C@@H]1C ZINC001314042802 1071850220 /nfs/dbraw/zinc/85/02/20/1071850220.db2.gz FNXOWVBUSTUIOM-HOTGVXAUSA-N 0 3 467.456 3.780 20 0 JHADHN CCOC(C)(C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(CC2CCOCC2)CC1 ZINC001314047029 1071865128 /nfs/dbraw/zinc/86/51/28/1071865128.db2.gz IPEJENQCCIXOMO-UHFFFAOYSA-N 0 3 492.064 3.971 20 0 JHADHN CCO[C@@H](CCn1c(-c2ccc(C)o2)nnc1N1CCN(CC2CCOCC2)CC1)C(C)C ZINC001314061244 1071898162 /nfs/dbraw/zinc/89/81/62/1071898162.db2.gz GUHNGGFNMWOEFN-QFIPXVFZSA-N 0 3 459.635 3.846 20 0 JHADHN CCO[C@@]1(c2nnc(N(C)Cc3ccccc3)n2C[C@H](c2cccs2)N(C)C)CCOC1 ZINC001314080832 1071942505 /nfs/dbraw/zinc/94/25/05/1071942505.db2.gz GMYHGKCOBMADCQ-YKSBVNFPSA-N 0 3 455.628 3.931 20 0 JHADHN CCO[C@@]1(c2nnc(N(C)Cc3ccc(C)o3)n2C[C@H](c2ccc(F)cc2)N(C)C)CCOC1 ZINC001314082307 1071945619 /nfs/dbraw/zinc/94/56/19/1071945619.db2.gz DIBXLBNXOOASDV-RDGATRHJSA-N 0 3 471.577 3.910 20 0 JHADHN CCO[C@@]1(c2nnc(N3CCN(CCC(C)(C)C)CC3)n2CCc2nc(C)c(C)s2)CCOC1 ZINC001314134378 1072046270 /nfs/dbraw/zinc/04/62/70/1072046270.db2.gz GYRGUKKTAPCCSS-VWLOTQADSA-N 0 3 490.718 3.804 20 0 JHADHN CCO[C@]1(c2nnc(N3CCN(CC(C)C)CC3)n2CCc2ccc(F)cc2Cl)CCOC1 ZINC001314134507 1072046574 /nfs/dbraw/zinc/04/65/74/1072046574.db2.gz IGDWASDQPAEDOX-XMMPIXPASA-N 0 3 480.028 3.743 20 0 JHADHN CCO[C@@]1(c2nnc(N3CCN(C(C)(C)C)CC3)n2CCCOC2CCCCC2)CCOC1 ZINC001314140166 1072053517 /nfs/dbraw/zinc/05/35/17/1072053517.db2.gz ZRIUCHOUDBFJBP-VWLOTQADSA-N 0 3 463.667 3.590 20 0 JHADHN CCO[C@@]1(c2nnc(N3CCN(C(C)(C)C)CC3)n2C[C@@H](C)Oc2cccc(C)c2)CCOC1 ZINC001314137130 1072048841 /nfs/dbraw/zinc/04/88/41/1072048841.db2.gz UCQHPJKGZHHLBC-RLWLMLJZSA-N 0 3 471.646 3.627 20 0 JHADHN CCc1ccc(-c2nnc(N3CC(=O)N(C)[C@H](C)C3)n2C[C@@H](c2ccco2)N(CC)CC)cc1 ZINC001305926657 1068222770 /nfs/dbraw/zinc/22/27/70/1068222770.db2.gz KEKFCWHTOFUJIC-KNQAVFIVSA-N 0 3 464.614 3.851 20 0 JHADHN CCc1ccc(-c2nnc(N3C[C@H](C)N(CC)C[C@@H]3C)n2C[C@@H](N2CCOCC2)C(F)(F)F)cc1 ZINC001305927172 1068224815 /nfs/dbraw/zinc/22/48/15/1068224815.db2.gz BUEBZCIVUXCAMS-CNNODRBYSA-N 0 3 494.606 3.690 20 0 JHADHN CCc1ccc(-c2nnc(N3CC[C@H](N4CCN(CC)CC4)C3)n2C[C@@H](OC)[C@H](C)CC)cc1 ZINC001305933964 1068234680 /nfs/dbraw/zinc/23/46/80/1068234680.db2.gz JJEILQCTZZINNP-IEZKXTBUSA-N 0 3 468.690 3.785 20 0 JHADHN CCc1ccc(-c2nnc(N3CCC(CN4CCOCC4)CC3)n2CC[S@@](=O)C(C)(C)C)cc1 ZINC001305935880 1068238300 /nfs/dbraw/zinc/23/83/00/1068238300.db2.gz ILFYASLKDUUIFD-UUWRZZSWSA-N 0 3 487.714 3.603 20 0 JHADHN CCc1ccc(-c2nnc(N3CCN(C(=O)CN(CC)CC)CC3)n2CCC=C(C)C)cc1 ZINC001305943469 1068255501 /nfs/dbraw/zinc/25/55/01/1068255501.db2.gz MTZQNVGPJLYOMI-UHFFFAOYSA-N 0 3 452.647 3.854 20 0 JHADHN CCc1ccc(-c2nnc(N3CCN(C(C)=O)CC3)n2C[C@H](c2cccs2)N(C)C)cc1 ZINC001305947630 1068265586 /nfs/dbraw/zinc/26/55/86/1068265586.db2.gz RPKUBEZWGVPVBC-OAQYLSRUSA-N 0 3 452.628 3.540 20 0 JHADHN CCc1ccccc1OCc1nnc(N2CCN(C3CCOCC3)C[C@H]2C)n1C[C@@H](CC)OC ZINC001305984846 1068333134 /nfs/dbraw/zinc/33/31/34/1068333134.db2.gz DAIGERHLNLDTOR-NFBKMPQASA-N 0 3 471.646 3.534 20 0 JHADHN CCc1ccccc1OCc1nnc(N2CCN(C3CCOCC3)C[C@@H]2C)n1CCOC(C)(C)C ZINC001305985215 1068334012 /nfs/dbraw/zinc/33/40/12/1068334012.db2.gz GEYXUMUTIFKIHA-NRFANRHFSA-N 0 3 485.673 3.924 20 0 JHADHN CCc1ccccc1OCc1nnc(N2CCN(CC(C)C)CC2)n1C[C@H]1CCOC[C@H]1C ZINC001305985466 1068335540 /nfs/dbraw/zinc/33/55/40/1068335540.db2.gz KALLPYJHDUECGP-FYYLOGMGSA-N 0 3 455.647 3.870 20 0 JHADHN CCc1ccccc1OCc1nnc(N2CCSC[C@@H]2C)n1C[C@@H](C)CN1CCN(CC)CC1 ZINC001305989582 1068347956 /nfs/dbraw/zinc/34/79/56/1068347956.db2.gz IOIMMMQKSQRQBJ-VXKWHMMOSA-N 0 3 486.730 3.635 20 0 JHADHN CCc1nc(C)c([C@@H](C)N(C)c2nnc([C@@H]3CCCOC3)n2CCN2CCN(C)C(C)(C)C2)s1 ZINC001306002270 1068375614 /nfs/dbraw/zinc/37/56/14/1068375614.db2.gz KIPDTPMATNMHMR-WOJBJXKFSA-N 0 3 489.734 3.723 20 0 JHADHN CCc1nc(CCn2c(-c3ccc(Cl)cc3OC)nnc2N2C[C@H](C)N(CC)C[C@@H]2C)no1 ZINC001306017830 1068403269 /nfs/dbraw/zinc/40/32/69/1068403269.db2.gz KARODPHXBHLWFP-HOTGVXAUSA-N 0 3 474.009 3.714 20 0 JHADHN CCc1nc(CCn2c(Cc3ccc(Cl)cc3)nnc2N2C[C@@H](C)N(CC)C[C@H]2C)no1 ZINC001306020573 1068411472 /nfs/dbraw/zinc/41/14/72/1068411472.db2.gz WQXSZSMLINYRHS-IAGOWNOFSA-N 0 3 458.010 3.629 20 0 JHADHN CCc1nc(CN(C)c2nnc(-c3ccccc3C)n2C[C@@H](C)N2CCN(CC)CC2)cs1 ZINC001306028587 1068425677 /nfs/dbraw/zinc/42/56/77/1068425677.db2.gz FJKQBTRKITXYET-HXUWFJFHSA-N 0 3 467.687 3.935 20 0 JHADHN CCc1nc(CN(C)c2nnc([C@H]3CCCOC3)n2CCN(C)Cc2ccccc2)cs1 ZINC001306034242 1068438388 /nfs/dbraw/zinc/43/83/88/1068438388.db2.gz VGSYEQXJMDSELP-FQEVSTJZSA-N 0 3 454.644 3.959 20 0 JHADHN CCc1nnc(N2CC[C@@H](CN(CC)CC(F)(F)F)C2)n1C[C@H](c1ccc(F)cc1)N(C)C ZINC001306132263 1068535212 /nfs/dbraw/zinc/53/52/12/1068535212.db2.gz CNYSVMMIMIFHAX-FXAWDEMLSA-N 0 3 470.559 3.993 20 0 JHADHN CCc1nnc(N2CCC[C@@H](c3nc(C(C)C)cs3)C2)n1CCN1CCN(C)C(C)(C)C1 ZINC001306161190 1068557693 /nfs/dbraw/zinc/55/76/93/1068557693.db2.gz GJRIWFQVWVPJDM-LJQANCHMSA-N 0 3 459.708 3.830 20 0 JHADHN CCc1noc(C)c1Cn1c(-c2cc(Br)cn2C)nnc1N1C[C@H](C)N(CC)C[C@H]1C ZINC001306233699 1068625394 /nfs/dbraw/zinc/62/53/94/1068625394.db2.gz XEXCOUDTVBFLQP-LSDHHAIUSA-N 0 3 490.450 3.872 20 0 JHADHN CC[C@H]1C(=O)NCCN1c1nnc(-c2cccc(OC(F)F)c2)n1C[C@H](c1ccsc1)N(C)C ZINC001306249150 1068659457 /nfs/dbraw/zinc/65/94/57/1068659457.db2.gz UIGPLJKAZREZIQ-RBUKOAKNSA-N 0 3 490.580 3.626 20 0 JHADHN CC[C@@H]1C[C@@H](C)CN1c1nnc(COc2ccc(F)cc2)n1C[C@H](C)CN1CCN(CC)CC1 ZINC001306292613 1068709733 /nfs/dbraw/zinc/70/97/33/1068709733.db2.gz BZUZMJBUNVWDOX-MQSCRBSSSA-N 0 3 472.653 3.895 20 0 JHADHN CC[C@H]1CCCN(c2nnc(Cc3ccccc3C)n2CCCN2CCC[C@H]2C(=O)N(C)C)C1 ZINC001306334554 1068772218 /nfs/dbraw/zinc/77/22/18/1068772218.db2.gz DHOIXJDLRHFFMZ-UPVQGACJSA-N 0 3 466.674 3.746 20 0 JHADHN CCC1CCN(c2nnc(Cc3ccccc3F)n2C[C@H](C)CN2CCN(CC)CC2)CC1 ZINC001306372950 1068806186 /nfs/dbraw/zinc/80/61/86/1068806186.db2.gz GCRPDBONNQRTFP-OAQYLSRUSA-N 0 3 456.654 3.908 20 0 JHADHN CC[C@@H]1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@H](C)CN2CCN(CC)CC2)C1 ZINC001306383841 1068816420 /nfs/dbraw/zinc/81/64/20/1068816420.db2.gz UZSJLWAWLOZCMT-DHIUTWEWSA-N 0 3 454.663 3.675 20 0 JHADHN CC[C@@H]1CN(c2nnc([C@H](C)Oc3ccccc3F)n2CCN2CCN(C)C(C)(C)C2)C[C@H](C)O1 ZINC001306397262 1068847397 /nfs/dbraw/zinc/84/73/97/1068847397.db2.gz YPWMFOTVZZLSBI-PCCBWWKXSA-N 0 3 488.652 3.587 20 0 JHADHN CC[C@@H]1CN(c2nnc(Cc3ccccn3)n2C[C@@H](c2ccco2)N(CC)CC)C[C@H](C)O1 ZINC001306442400 1068951542 /nfs/dbraw/zinc/95/15/42/1068951542.db2.gz VBEMGXYQCONQGE-NNWRFLSQSA-N 0 3 452.603 3.944 20 0 JHADHN CC[C@H]1CN(c2nnc(Cc3csc(C)n3)n2C[C@H](c2cccc(OC)c2)N(C)C)CCO1 ZINC001306444306 1068955886 /nfs/dbraw/zinc/95/58/86/1068955886.db2.gz MJBCOABNYVEZML-RBBKRZOGSA-N 0 3 470.643 3.561 20 0 JHADHN O=C(Nc1cc(Cl)c(OCC(F)(F)F)c(Cl)c1)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC001310496737 1068980709 /nfs/dbraw/zinc/98/07/09/1068980709.db2.gz KPFULKAVBBGOHA-CABCVRRESA-N 0 3 456.292 3.997 20 0 JHADHN Cc1cc(NC(=O)N[C@@H]2CCCN(CCCO)C2)n(-c2cc(C(F)(F)F)ccc2Cl)n1 ZINC001310499873 1068984397 /nfs/dbraw/zinc/98/43/97/1068984397.db2.gz VTDNJRLVQNEZDZ-OAHLLOKOSA-N 0 3 459.900 3.821 20 0 JHADHN C[C@H]1C[C@@H](NC(=O)Nc2ccccc2OCC(=O)Nc2cccnc2)CN1Cc1ccccc1 ZINC001310513739 1068995242 /nfs/dbraw/zinc/99/52/42/1068995242.db2.gz SXYXBKYQTFJHEJ-SIKLNZKXSA-N 0 3 459.550 3.884 20 0 JHADHN CC[C@@H]1CN(c2nnc([C@H]3CCCO3)n2CCN2CCCCC2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC001306461889 1068997175 /nfs/dbraw/zinc/99/71/75/1068997175.db2.gz GKVOWOGQDFAMAJ-QHAWAJNXSA-N 0 3 476.666 3.745 20 0 JHADHN CC/C=C\Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(C2CCCC2)CC1 ZINC001306467480 1069007534 /nfs/dbraw/zinc/00/75/34/1069007534.db2.gz UYTOHXJCBODLFZ-UTCJRWHESA-N 0 3 457.022 3.892 20 0 JHADHN CC/C=C/Cn1c(-c2cccc(Br)c2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001306468515 1069009970 /nfs/dbraw/zinc/00/99/70/1069009970.db2.gz YAYFSDQHYTUEEW-WHLIDYPQSA-N 0 3 460.420 3.832 20 0 JHADHN COC(=O)c1cc(NC(=O)N[C@H]2CCN(Cc3ccccc3)C2)cc(Br)c1F ZINC001310552903 1069013090 /nfs/dbraw/zinc/01/30/90/1069013090.db2.gz QHIQEQMGLRWTDV-AWEZNQCLSA-N 0 3 450.308 3.771 20 0 JHADHN CC/C=C/Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC001306471391 1069015125 /nfs/dbraw/zinc/01/51/25/1069015125.db2.gz WHAUQXQWXLTGRJ-QQUYBBDPSA-N 0 3 468.646 3.533 20 0 JHADHN CC/C=C/Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCN(C2CCOCC2)CC1 ZINC001306479025 1069019742 /nfs/dbraw/zinc/01/97/42/1069019742.db2.gz DGJKIHRBCHKBFO-VOTSOKGWSA-N 0 3 488.677 3.660 20 0 JHADHN CC/C=C\Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C2CCOCC2)CC1 ZINC001306492901 1069032710 /nfs/dbraw/zinc/03/27/10/1069032710.db2.gz CNZSJBCMTUHVFU-NGXITPROSA-N 0 3 474.650 3.617 20 0 JHADHN CCN1CCN(c2cccc(NC(=O)N3C[C@@H]4CCC[C@]4(NC(=O)OC(C)(C)C)C3)c2)CC1 ZINC001310596992 1069040347 /nfs/dbraw/zinc/04/03/47/1069040347.db2.gz PIGCMYBVVLLLAH-DFBJGRDBSA-N 0 3 457.619 3.740 20 0 JHADHN CCN1CCN(c2cccc(NC(=O)N3CCN(C(=O)OC(C)(C)C)C[C@@H]3C(C)C)c2)CC1 ZINC001310598287 1069041997 /nfs/dbraw/zinc/04/19/97/1069041997.db2.gz XMBYKMFPLPAMJP-JOCHJYFZSA-N 0 3 459.635 3.938 20 0 JHADHN C[C@@H]1CN(C2CCOCC2)CCN1C(=O)Nc1ccnn1Cc1ccc(C(F)(F)F)cc1 ZINC001310608496 1069050840 /nfs/dbraw/zinc/05/08/40/1069050840.db2.gz LSNBTEBSWMJDDF-MRXNPFEDSA-N 0 3 451.493 3.667 20 0 JHADHN CN1CCN(CCCNC(=O)Nc2ccnn2Cc2ccc(F)cc2)[C@H](c2ccccc2)C1 ZINC001310610780 1069054106 /nfs/dbraw/zinc/05/41/06/1069054106.db2.gz BPNTUCCASGHIHC-QHCPKHFHSA-N 0 3 450.562 3.571 20 0 JHADHN CCCC(=O)NC1CCN(c2nnc(C(C)C)n2C[C@H]2CN(Cc3ccccc3)CCCO2)CC1 ZINC001306506673 1069087435 /nfs/dbraw/zinc/08/74/35/1069087435.db2.gz XDQDRPCZFFHFIJ-XMMPIXPASA-N 0 3 482.673 3.578 20 0 JHADHN CCCC(=O)NC1CCN(c2nnc(-c3ccccn3)n2C[C@@H](c2ccc(F)cc2)N(C)C)CC1 ZINC001306510977 1069103793 /nfs/dbraw/zinc/10/37/93/1069103793.db2.gz NARQACBUJGPIDV-QHCPKHFHSA-N 0 3 479.604 3.667 20 0 JHADHN CC(C)(C)OC(=O)CCc1cccc(NC(=O)NC[C@@]2(O)CCN(Cc3ccccc3)C2)c1 ZINC001310675724 1069103994 /nfs/dbraw/zinc/10/39/94/1069103994.db2.gz IVZJZCQRGVZUKA-SANMLTNESA-N 0 3 453.583 3.719 20 0 JHADHN Cc1nc(NC(=O)NC[C@@H](C)CN2CCN(C)CC2)sc1Cc1cccc(Cl)c1F ZINC001310742626 1069145408 /nfs/dbraw/zinc/14/54/08/1069145408.db2.gz ZEPSTZAKYXGRCD-CQSZACIVSA-N 0 3 454.015 3.840 20 0 JHADHN CCC[C@H](C)C(=O)NCCn1c(-c2cccc3cccnc32)nnc1N1C[C@H](C)N(CC)C[C@H]1C ZINC001306546204 1069202995 /nfs/dbraw/zinc/20/29/95/1069202995.db2.gz AQQFIRFGHDWJDM-PCCBWWKXSA-N 0 3 477.657 3.965 20 0 JHADHN C[C@@H]1[C@@H](NC(=O)N[C@H](CCNC(=O)OC(C)(C)C)C(F)(F)F)CCN1Cc1ccccc1 ZINC001310886615 1069210211 /nfs/dbraw/zinc/21/02/11/1069210211.db2.gz PFNLEKJQWLFKRB-BPQIPLTHSA-N 0 3 458.525 3.794 20 0 JHADHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)Nc1cc(C(=O)NCC(C)(C)C)ccc1Cl ZINC001311191877 1069294156 /nfs/dbraw/zinc/29/41/56/1069294156.db2.gz VCJDHEQCGWLTJP-INIZCTEOSA-N 0 3 451.011 3.833 20 0 JHADHN CCOC(=O)c1ccc(C(F)(F)N2CCC(N3CCC(C(=O)OCC)CC3)CC2)c(Cl)n1 ZINC001164617849 719030972 /nfs/dbraw/zinc/03/09/72/719030972.db2.gz PXYINNCJQWCNBK-UHFFFAOYSA-N 0 3 473.948 3.701 20 0 JHADHN c1cncc(CN2CC[C@@H]3[C@@H]2CCN3c2nc(CN3CCOCC3)nc3sc4c(c32)CCCC4)c1 ZINC001164733429 720438641 /nfs/dbraw/zinc/43/86/41/720438641.db2.gz POZHHJXMXFYWOE-FCHUYYIVSA-N 0 3 490.677 3.651 20 0 JHADHN Cc1c(C)n(Cc2ccccc2)c2ncnc(N3CCc4ncc(CN5CCCC5)n4CC3)c12 ZINC001164736143 720581641 /nfs/dbraw/zinc/58/16/41/720581641.db2.gz DSYNNXORTKKUGZ-UHFFFAOYSA-N 0 3 455.610 3.951 20 0 JHADHN c1ccc(COc2ccc3nc(N4CCN5C[C@H](Oc6cncnc6)C[C@@H]5C4)ccc3c2)cc1 ZINC001164741024 720719594 /nfs/dbraw/zinc/71/95/94/720719594.db2.gz RXSJAHAFZDMOPU-ISKFKSNPSA-N 0 3 453.546 3.946 20 0 JHADHN C[C@@H]1CCCCN1c1nc2ccccc2nc1N1CCN2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164878219 721143114 /nfs/dbraw/zinc/14/31/14/721143114.db2.gz PRSHYMJHSZAMQQ-YMPZKCBVSA-N 0 3 458.610 3.883 20 0 JHADHN F[C@H](Oc1cccc(-c2ccc(Cl)nn2)c1)N1CCN2C[C@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164880665 721163769 /nfs/dbraw/zinc/16/37/69/721163769.db2.gz WURDUQDLFMYQDY-ZYKOEDHHSA-N 0 3 469.948 3.799 20 0 JHADHN Cc1c(C)n(Cc2ccccc2)c2ncnc(N3C[C@H]4CCN(Cc5cnn(C)c5)C[C@H]4C3)c12 ZINC001164766061 721199959 /nfs/dbraw/zinc/19/99/59/721199959.db2.gz IVSSPVQHKNSHKL-RPWUZVMVSA-N 0 3 455.610 3.788 20 0 JHADHN Cn1cc(CN2CC[C@@H]3CN(c4ccc(-c5ccc(N6CCCCC6)cc5)nn4)C[C@@H]3C2)cn1 ZINC001164767671 721227864 /nfs/dbraw/zinc/22/78/64/721227864.db2.gz KJAXZQJDJPOQQL-RPWUZVMVSA-N 0 3 457.626 3.826 20 0 JHADHN Cn1cc(CN2CC[C@H]3CN(c4ncnc5cc(OCc6ccccc6)ccc54)C[C@H]3C2)cn1 ZINC001164769782 721237499 /nfs/dbraw/zinc/23/74/99/721237499.db2.gz ZPQXHSBHFYBBOY-XZOQPEGZSA-N 0 3 454.578 3.901 20 0 JHADHN COc1cc2ccnc(N3CCC[C@]4(C3)COCCN(Cc3c(C)noc3C)C4)c2cc1OC ZINC001164780024 721352318 /nfs/dbraw/zinc/35/23/18/721352318.db2.gz YMBMZLOUDKMYHL-SANMLTNESA-N 0 3 466.582 3.976 20 0 JHADHN CCOC(=O)c1cnc(-c2cccs2)nc1N1CCN2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164903013 721527767 /nfs/dbraw/zinc/52/77/67/721527767.db2.gz BURZBVURTIQYML-HKUYNNGSSA-N 0 3 468.554 3.863 20 0 JHADHN COC(=O)/C=C\c1ccc(NC(=O)C(C)(C)C)c(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164905196 721546850 /nfs/dbraw/zinc/54/68/50/721546850.db2.gz GKSPFKHATMTHGZ-NBOBXGGBSA-N 0 3 496.583 3.733 20 0 JHADHN COc1ccc(-c2ccc(N3CCN4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)nn2)c(OC)c1OC ZINC001164906509 721561820 /nfs/dbraw/zinc/56/18/20/721561820.db2.gz JRIUGJYJYZWHOI-UYAOXDASSA-N 0 3 480.540 3.650 20 0 JHADHN COC(=O)/C=C\c1cc2cc[nH]c2c(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)n1 ZINC001164907656 721718149 /nfs/dbraw/zinc/71/81/49/721718149.db2.gz SHTXQITYMALAID-XLQQFJOYSA-N 0 3 467.520 3.882 20 0 JHADHN COC(=O)c1cc2c(nc(Cl)nc2N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)n1C ZINC001164908659 721721162 /nfs/dbraw/zinc/72/11/62/721721162.db2.gz YLAQUBKAMUJJPS-JOCHJYFZSA-N 0 3 490.942 3.541 20 0 JHADHN O=C1OC2(CCN(Cc3ccccc3)CC2)c2cnc(Cl)c(N3CCN(C[C@H]4CCCO4)CC3)c21 ZINC001165039533 721916219 /nfs/dbraw/zinc/91/62/19/721916219.db2.gz SJBKMQOUYSVLQX-OAQYLSRUSA-N 0 3 497.039 3.698 20 0 JHADHN FC(F)(c1nc(Cl)cc(Cl)n1)N1CCC2(CC1)COCCN(Cc1ccncc1)C2 ZINC001164961165 722052763 /nfs/dbraw/zinc/05/27/63/722052763.db2.gz TWHJEWCIDOMYEU-UHFFFAOYSA-N 0 3 458.340 3.842 20 0 JHADHN CSc1nc(Cl)cc(C(F)(F)N2CCC3(CC2)COCCN(Cc2ccncc2)C3)n1 ZINC001164961159 722052872 /nfs/dbraw/zinc/05/28/72/722052872.db2.gz SVECPCVBLJNZRD-UHFFFAOYSA-N 0 3 469.989 3.911 20 0 JHADHN Fc1cccc(Cn2ccc3c2ncnc3N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164973987 722122968 /nfs/dbraw/zinc/12/29/68/722122968.db2.gz IGSBVGAQEDPANM-RDGATRHJSA-N 0 3 472.568 3.741 20 0 JHADHN FC(F)(c1cc(Cl)nc(-c2ccncc2)n1)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164978886 722138308 /nfs/dbraw/zinc/13/83/08/722138308.db2.gz KJRYGQZOSDDLKV-PMACEKPBSA-N 0 3 486.954 3.859 20 0 JHADHN c1ccc(-c2nc3ccccc3c(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)n2)nc1 ZINC001164984179 722140705 /nfs/dbraw/zinc/14/07/05/722140705.db2.gz WEHAUYUOZLJNAY-BWKNWUBXSA-N 0 3 452.562 3.814 20 0 JHADHN c1cc2c(nc(-c3ccncc3)nc2N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)s1 ZINC001164982705 722151747 /nfs/dbraw/zinc/15/17/47/722151747.db2.gz SEFAHLBGWCYMLE-UNMCSNQZSA-N 0 3 458.591 3.876 20 0 JHADHN CC1CCN([C@@H](CNC(=O)Nc2cc(=O)n(C)cc2Br)c2cccs2)CC1 ZINC001311282860 1069315813 /nfs/dbraw/zinc/31/58/13/1069315813.db2.gz WOECLAGKCRHSIX-INIZCTEOSA-N 0 3 453.406 3.804 20 0 JHADHN CCC[C@@H]1CN(c2nnc(Cc3csc(C)n3)n2C[C@H](c2cccc(OC)c2)N(C)C)CCO1 ZINC001306629340 1069328415 /nfs/dbraw/zinc/32/84/15/1069328415.db2.gz PFIHSSMQRFCYJW-DHIUTWEWSA-N 0 3 484.670 3.951 20 0 JHADHN COc1ccc([C@@H](CNC(=O)N[C@@H]2CCN(c3ccccc3Cl)C2=O)N2CCCC2)cc1 ZINC001311343270 1069330762 /nfs/dbraw/zinc/33/07/62/1069330762.db2.gz CREMUIAJECQQEE-IFMALSPDSA-N 0 3 456.974 3.590 20 0 JHADHN COc1ccc([C@@H](CNC(=O)N[C@H](CO)c2ccccc2C(F)(F)F)N2CCCC2)cc1 ZINC001311346523 1069332719 /nfs/dbraw/zinc/33/27/19/1069332719.db2.gz QCHYRVQQXASQOB-NHCUHLMSSA-N 0 3 451.489 3.884 20 0 JHADHN CCC[C@H]1CN(c2nnc(CNC(=O)c3cccs3)n2C[C@H](c2cccs2)N(C)C)CCO1 ZINC001306631901 1069333234 /nfs/dbraw/zinc/33/32/34/1069333234.db2.gz VXBBEJKFWJUYRT-ZWKOTPCHSA-N 0 3 488.683 3.639 20 0 JHADHN Cc1ccc(CN2CC[C@@H](NC(=O)NC[C@@H](c3ccccc3Cl)N3CCOCC3)C2)cc1 ZINC001311388517 1069357100 /nfs/dbraw/zinc/35/71/00/1069357100.db2.gz DNMBYFNUXGPPFS-QPPBQGQZSA-N 0 3 457.018 3.595 20 0 JHADHN CC[C@H](CNC(=O)N[C@H](c1nccn1C)c1ccc(F)cc1F)N1CCc2ccccc2C1 ZINC001311393974 1069360006 /nfs/dbraw/zinc/36/00/06/1069360006.db2.gz DZUSCLUAPQIPJH-OFNKIYASSA-N 0 3 453.537 3.924 20 0 JHADHN CN(C)[C@@H](CNC(=O)NCCCN1CCN(C)C[C@H]1c1ccccc1)c1ccccc1Cl ZINC001311421600 1069369412 /nfs/dbraw/zinc/36/94/12/1069369412.db2.gz CIJRIRSOALXVBA-ZEQRLZLVSA-N 0 3 458.050 3.621 20 0 JHADHN CCCCN(C)c1nnc(C(=O)Nc2ccccn2)n1CC1(N2CCSCC2)CCCCC1 ZINC001306666647 1069395008 /nfs/dbraw/zinc/39/50/08/1069395008.db2.gz YSKPLCNDWBVYAK-UHFFFAOYSA-N 0 3 471.675 3.913 20 0 JHADHN C[C@@H](NC(=O)NCc1ccc(CN2CCN(C)CC2)cc1)c1ccc(OCC2CC2)c(F)c1 ZINC001311495355 1069405633 /nfs/dbraw/zinc/40/56/33/1069405633.db2.gz IZABQRPHBUPDLX-LJQANCHMSA-N 0 3 454.590 3.922 20 0 JHADHN CCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC001306700197 1069435616 /nfs/dbraw/zinc/43/56/16/1069435616.db2.gz FSDIDBILANKXQG-NHCUHLMSSA-N 0 3 458.626 3.962 20 0 JHADHN CCCCn1c(-c2ccc(OC(C)C)c(OC)c2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 ZINC001306704192 1069440300 /nfs/dbraw/zinc/44/03/00/1069440300.db2.gz MMRFJDNXLCDDIN-QFIPXVFZSA-N 0 3 470.662 3.757 20 0 JHADHN CCCCn1c(-c2nn(CCC)c(=O)c3ccccc32)nnc1N1CCN(CC(C)C)CC1 ZINC001306706388 1069441476 /nfs/dbraw/zinc/44/14/76/1069441476.db2.gz OHEVPQLMJAZWJI-UHFFFAOYSA-N 0 3 451.619 3.643 20 0 JHADHN CC1CCN([C@H](CNC(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2=O)c2cccs2)CC1 ZINC001311575804 1069445918 /nfs/dbraw/zinc/44/59/18/1069445918.db2.gz YLYPPBCRJDXBGT-FGZHOGPDSA-N 0 3 454.640 3.964 20 0 JHADHN CN(C(=O)[C@H](Cc1ccccc1)NC(=O)N[C@H]1CCN(Cc2ccccc2)C1)c1ccccc1 ZINC001311578166 1069446918 /nfs/dbraw/zinc/44/69/18/1069446918.db2.gz LISGRKHJTNBEMV-AHWVRZQESA-N 0 3 456.590 3.834 20 0 JHADHN CC[C@H](NC(=O)NC[C@H](c1cccs1)N1CCCC1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001311577252 1069446974 /nfs/dbraw/zinc/44/69/74/1069446974.db2.gz SEJWNHNBOFFOBA-ZRBLBEILSA-N 0 3 456.656 3.864 20 0 JHADHN CCCCN1CCCC[C@@H]1Cn1c(-c2ccc(C)o2)nnc1N(C)[C@H](C)[C@@H](C)S(C)(=O)=O ZINC001306723509 1069463675 /nfs/dbraw/zinc/46/36/75/1069463675.db2.gz SRXINPPTCOBOMW-VAMGGRTRSA-N 0 3 465.664 3.759 20 0 JHADHN O=C(NCCCCN1CCN(c2ccccc2)CC1)N1CCO[C@@H](CCc2ccccc2)C1 ZINC001311634462 1069480978 /nfs/dbraw/zinc/48/09/78/1069480978.db2.gz XROKFHXKMVKBGP-SANMLTNESA-N 0 3 450.627 3.632 20 0 JHADHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N2CCN([C@H](CO)c3ccc(Cl)cc3)CC2)C1 ZINC001311711809 1069514137 /nfs/dbraw/zinc/51/41/37/1069514137.db2.gz FQYDSOGEQVPZKN-CTUHWIOQSA-N 0 3 457.018 3.536 20 0 JHADHN CCCCOc1ccc(-c2nnc(N3C[C@@H](C)N(CC)C[C@H]3C)n2CC2(O)CC2)cc1OC ZINC001306748757 1069539283 /nfs/dbraw/zinc/53/92/83/1069539283.db2.gz LYCJGBFBGMTINJ-RTBURBONSA-N 0 3 457.619 3.576 20 0 JHADHN CCCCOCCn1c(-c2nn(C(C)C)c(=O)c3ccccc32)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C ZINC001306759025 1069558056 /nfs/dbraw/zinc/55/80/56/1069558056.db2.gz QEYXHXJKMFVKNQ-RTWAWAEBSA-N 0 3 495.672 3.972 20 0 JHADHN CCCCOCCn1c(-c2cc(Br)cn2C)nnc1N1C[C@H](C)N(CC)C[C@@H]1C ZINC001306760563 1069560567 /nfs/dbraw/zinc/56/05/67/1069560567.db2.gz FEUUTXKIVACOIJ-IRXDYDNUSA-N 0 3 467.456 3.782 20 0 JHADHN CCOc1c(Cl)cc(Cn2c(C(C)C)nnc2N2CCN(C[C@H]3CCOC3)CC2)cc1OC ZINC001314151159 1069611946 /nfs/dbraw/zinc/61/19/46/1069611946.db2.gz FWCPSMVLLSEZNL-GOSISDBHSA-N 0 3 478.037 3.669 20 0 JHADHN CCOc1c(Cl)cc(Cn2c([C@@H]3CCOC3)nnc2N2CCN(C(C)(C)C)CC2)cc1OC ZINC001314151899 1069614386 /nfs/dbraw/zinc/61/43/86/1069614386.db2.gz CFUHVNZDWJKRLI-GOSISDBHSA-N 0 3 478.037 3.812 20 0 JHADHN CCCN(CC)CCn1c(CC2CCCC2)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 ZINC001306807289 1069621683 /nfs/dbraw/zinc/62/16/83/1069621683.db2.gz UZEHWXNRSZUXHV-UHFFFAOYSA-N 0 3 465.708 3.680 20 0 JHADHN O=C(NCCCc1ccc(O)cc1)N1CCC(N2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC001311948196 1069628243 /nfs/dbraw/zinc/62/82/43/1069628243.db2.gz WPCBUVAISWDKSO-UHFFFAOYSA-N 0 3 457.018 3.974 20 0 JHADHN C[C@@H](CNC(=O)NCCCCSc1ccccc1Br)CN1CCN(C)CC1 ZINC001311975329 1069646561 /nfs/dbraw/zinc/64/65/61/1069646561.db2.gz IYYUIUBAMYRLQO-KRWDZBQOSA-N 0 3 457.482 3.504 20 0 JHADHN COc1cc([C@@H](C)NC(=O)N[C@H](CN2CCCCC2)c2ccccc2)ccc1S(C)(=O)=O ZINC001312011332 1069668214 /nfs/dbraw/zinc/66/82/14/1069668214.db2.gz HQFKKTZQUVRDAZ-WIYYLYMNSA-N 0 3 459.612 3.686 20 0 JHADHN CCOc1ccc(Cn2c([C@@H]3CCOC3)nnc2N2CCN(CCC(C)(C)C)CC2)cc1OC ZINC001314188559 1069744688 /nfs/dbraw/zinc/74/46/88/1069744688.db2.gz JSEFMFAKBUQVCN-OAQYLSRUSA-N 0 3 471.646 3.796 20 0 JHADHN CCOc1ccc(O[C@H](C)c2nnc(N3C[C@H](C)N(CC)C[C@H]3C)n2C[C@@](C)(O)C2CC2)cc1 ZINC001314192019 1069754947 /nfs/dbraw/zinc/75/49/47/1069754947.db2.gz RQWUGKJVLWLAAM-FDDOMMOESA-N 0 3 471.646 3.897 20 0 JHADHN CCOc1ccc(O[C@H](C)c2nnc(N3CCN(C4CCCCC4)CC3)n2CC(=O)N(C)CC)cc1 ZINC001314195713 1069771840 /nfs/dbraw/zinc/77/18/40/1069771840.db2.gz FROVRUHVKHFLJP-OAQYLSRUSA-N 0 3 498.672 3.750 20 0 JHADHN COc1ccc([C@H]2CCCN2C(=O)NCc2ccccc2CN2CCC(O)CC2)c(OC)c1 ZINC001312203089 1069778221 /nfs/dbraw/zinc/77/82/21/1069778221.db2.gz BWUJQAHKDHAZPX-XMMPIXPASA-N 0 3 453.583 3.707 20 0 JHADHN CCOc1ccc(O[C@@H](C)c2nnc(N3CCN(C4CCOCC4)C[C@@H]3C)n2C[C@@H](C)OC)cc1 ZINC001314197194 1069779147 /nfs/dbraw/zinc/77/91/47/1069779147.db2.gz KLELOHZEBYINBR-HBMCJLEFSA-N 0 3 487.645 3.541 20 0 JHADHN O=C(NCCc1c(F)cccc1Cl)N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC001312212500 1069785193 /nfs/dbraw/zinc/78/51/93/1069785193.db2.gz GSILSDFWHHZAFC-LJQANCHMSA-N 0 3 459.997 3.660 20 0 JHADHN CCCN1CCC(N(C)c2nnc(-c3ccccc3Br)n2CC2([S@](C)=O)CC2)CC1 ZINC001307048928 1069795395 /nfs/dbraw/zinc/79/53/95/1069795395.db2.gz CINBZNMQHHTLJF-PMERELPUSA-N 0 3 494.503 3.929 20 0 JHADHN CCOc1ccc2c(c1)CN(c1nnc(C(=O)NC(CC)CC)n1CCN1CCC[C@@H](C)C1)CC2 ZINC001314201487 1069796662 /nfs/dbraw/zinc/79/66/62/1069796662.db2.gz RUCFQBNGELWVMS-HXUWFJFHSA-N 0 3 482.673 3.890 20 0 JHADHN CCCN1CCC(N(C)c2nnc(-c3ccccc3Br)n2CC[S@](=O)CC)CC1 ZINC001307049427 1069797444 /nfs/dbraw/zinc/79/74/44/1069797444.db2.gz KPBZLJJPPSKOTE-GDLZYMKVSA-N 0 3 482.492 3.787 20 0 JHADHN CCOC(=O)c1sc([C@@H]2CCN(C(=O)N[C@@H]3C[C@@H](C)N(Cc4ccccc4)C3)C2)nc1C ZINC001312256354 1069813981 /nfs/dbraw/zinc/81/39/81/1069813981.db2.gz VJRBBWOBCPUZPU-NSISKUIASA-N 0 3 456.612 3.790 20 0 JHADHN CCOc1cccc(CCn2c(CNC(=O)c3cccs3)nnc2N2CCN(C(C)(C)C)CC2)c1 ZINC001314205510 1069815546 /nfs/dbraw/zinc/81/55/46/1069815546.db2.gz AJVRHDCYPGNIGQ-UHFFFAOYSA-N 0 3 496.681 3.832 20 0 JHADHN CCCN1CCCN(c2nnc(Cc3ccsc3)n2C[C@@H](c2cccc(OC)c2)N(C)C)CC1=O ZINC001307069883 1069883395 /nfs/dbraw/zinc/88/33/95/1069883395.db2.gz UDUGAFJWJKRIEV-QHCPKHFHSA-N 0 3 496.681 3.691 20 0 JHADHN CCOc1ccccc1OCc1nnc(N2CCO[C@@H](C(C)C)C2)n1CCN1CCCCC1 ZINC001314224337 1069884619 /nfs/dbraw/zinc/88/46/19/1069884619.db2.gz ALFRWNXLBMYCJZ-HSZRJFAPSA-N 0 3 457.619 3.603 20 0 JHADHN CCOc1ncccc1Cn1c(-c2ccc(OC)cc2)nnc1N1C[C@H](C)N(CC)C[C@H]1C ZINC001314232241 1069921220 /nfs/dbraw/zinc/92/12/20/1069921220.db2.gz WAAQXURNWPEVSB-RBUKOAKNSA-N 0 3 450.587 3.715 20 0 JHADHN CCOc1ncccc1Cn1c(-c2ccc(OC)cc2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C ZINC001314232239 1069921302 /nfs/dbraw/zinc/92/13/02/1069921302.db2.gz WAAQXURNWPEVSB-MOPGFXCFSA-N 0 3 450.587 3.715 20 0 JHADHN CCOc1ncccc1Cn1c(COc2ccccc2OC)nnc1N1CCN(C(C)(C)C)CC1 ZINC001314232583 1069922347 /nfs/dbraw/zinc/92/23/47/1069922347.db2.gz HMSFDKKSYVANRD-UHFFFAOYSA-N 0 3 480.613 3.628 20 0 JHADHN CCOC1CC(CCn2c(CC(C)(C)C)nnc2N2CC[C@H](N3CCN(C(C)C)CC3)C2)C1 ZINC001314239338 1069940397 /nfs/dbraw/zinc/94/03/97/1069940397.db2.gz VLGMZALKEOPZGK-KOENEWCDSA-N 0 3 460.711 3.677 20 0 JHADHN CCO[C@@H]1C[C@@H](N(C)c2nnc(C(=O)NC(C)C)n2C[C@@H](c2ccccc2)N2CCCC2)C1(C)C ZINC001314240705 1069942367 /nfs/dbraw/zinc/94/23/67/1069942367.db2.gz UCQWEJMABRQDJR-YTFSRNRJSA-N 0 3 482.673 3.893 20 0 JHADHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N[C@H](CCO)c1cccc(OC(F)(F)F)c1 ZINC001312455442 1069949739 /nfs/dbraw/zinc/94/97/39/1069949739.db2.gz INWCFYHHULHVST-MAODMQOUSA-N 0 3 451.489 3.828 20 0 JHADHN CCO[C@@H]1C[C@H](N(C)c2nnc(CC(C)(C)C)n2C[C@H](C)N2CCN(CC)CC2)C12CCC2 ZINC001314249421 1069974225 /nfs/dbraw/zinc/97/42/25/1069974225.db2.gz KPKRGQVPGGCXPF-FDFHNCONSA-N 0 3 460.711 3.677 20 0 JHADHN O=C(CN1CCN(C[C@H]2CCOC2)CC1)Nc1nc(-c2ccc(Cl)c(Cl)c2)cs1 ZINC001307429913 1069981299 /nfs/dbraw/zinc/98/12/99/1069981299.db2.gz RCZZRMMMGIDEEY-CQSZACIVSA-N 0 3 455.411 3.710 20 0 JHADHN CCCN(CC(=O)Nc1ccc(S(=O)(=O)N(CC)CC)cc1)[C@H]1CCc2ccccc2C1 ZINC001307429943 1069981331 /nfs/dbraw/zinc/98/13/31/1069981331.db2.gz OGSZTHUXFXJIBH-QHCPKHFHSA-N 0 3 457.640 3.925 20 0 JHADHN Cc1cccc(Cl)c1NC(=O)[C@@H](C)N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC001307439365 1069984888 /nfs/dbraw/zinc/98/48/88/1069984888.db2.gz XBKRVNITXSYFBD-NHCUHLMSSA-N 0 3 456.034 3.905 20 0 JHADHN COCCc1ccc(OC[C@H](O)CN2CCC([C@H]3C(=O)Nc4cc(Cl)ccc43)CC2)cc1 ZINC001307454282 1069994559 /nfs/dbraw/zinc/99/45/59/1069994559.db2.gz PASDTVWVCKZZOI-HYBUGGRVSA-N 0 3 458.986 3.717 20 0 JHADHN Cc1cc(=O)oc2cc(OCCN(C)C[C@@H](O)COc3ccccc3C(F)(F)F)ccc12 ZINC001307467768 1070002140 /nfs/dbraw/zinc/00/21/40/1070002140.db2.gz MZVRNKNAJANZIC-MRXNPFEDSA-N 0 3 451.441 3.871 20 0 JHADHN O=C(CN1CCC[C@@]2(CC=CCC2)C1)NCCN1C(=O)S/C(=C\c2ccccc2F)C1=O ZINC001307469237 1070003485 /nfs/dbraw/zinc/00/34/85/1070003485.db2.gz HRTZNCNMXGQIDZ-ZTTNJJDWSA-N 0 3 457.571 3.801 20 0 JHADHN CCCCn1c(N)c(N(CC)C(=O)CN2CCCC[C@H]2c2cccc(C)c2C)c(=O)[nH]c1=O ZINC001307492878 1070016226 /nfs/dbraw/zinc/01/62/26/1070016226.db2.gz FIZHETOQOVKUML-FQEVSTJZSA-N 0 3 455.603 3.528 20 0 JHADHN CCO[C@H]1CCCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCN2CCN(C)C(C)(C)C2)C1 ZINC001314267651 1070019040 /nfs/dbraw/zinc/01/90/40/1070019040.db2.gz IMKUFFVGJKBYGS-RTWAWAEBSA-N 0 3 488.652 3.589 20 0 JHADHN CCOc1ccc(/C=C2\SC(=O)N(CCNC(=O)CN3CC[C@@H](CC(C)C)C3)C2=O)cc1 ZINC001307505209 1070022915 /nfs/dbraw/zinc/02/29/15/1070022915.db2.gz CMHIRILCHDPLLL-BJLUOBIUSA-N 0 3 459.612 3.606 20 0 JHADHN CN1CCN(CCNC(=O)N2C[C@@H](c3cccc(C(F)(F)F)c3)OC(C)(C)C2)CC1(C)C ZINC001312580799 1070026480 /nfs/dbraw/zinc/02/64/80/1070026480.db2.gz FOONSAKUUFZGCG-IBGZPJMESA-N 0 3 456.553 3.593 20 0 JHADHN CCO[C@@H]1CCCN(c2nnc([C@H]3CCCCO3)n2C[C@H](c2cccc(OC)c2)N(C)C)C1 ZINC001314277388 1070036764 /nfs/dbraw/zinc/03/67/64/1070036764.db2.gz SSHMEKFJCRYEBV-DNVJHFABSA-N 0 3 457.619 3.837 20 0 JHADHN COc1ccc2cc(CN(C)C(=O)[C@H](C)N3CCC[C@@H]3C[C@H](O)c3cnn(C)c3)ccc2c1 ZINC001307587042 1070066099 /nfs/dbraw/zinc/06/60/99/1070066099.db2.gz JAQDQEVCCKOYRR-UODBTFMRSA-N 0 3 450.583 3.517 20 0 JHADHN C[C@H](NC(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F)[C@H](c1ccccc1)N(C)C ZINC001312661468 1070068976 /nfs/dbraw/zinc/06/89/76/1070068976.db2.gz RZMPENMGCGLEHN-QXAKKESOSA-N 0 3 454.562 3.869 20 0 JHADHN CCOCc1ccccc1Cn1c(N2CCN(CC3CCOCC3)CC2)nnc1C(C)(C)C ZINC001314292047 1070072604 /nfs/dbraw/zinc/07/26/04/1070072604.db2.gz IQQINIHVZAEVMK-UHFFFAOYSA-N 0 3 455.647 3.709 20 0 JHADHN CC(C)(C)OC(=O)N1CCC[C@@](O)(CN2CCN(c3ccc(C(F)(F)F)cc3)CC2)CC1 ZINC001307599651 1070074312 /nfs/dbraw/zinc/07/43/12/1070074312.db2.gz PAIDWERIMCSLGF-QFIPXVFZSA-N 0 3 457.537 3.980 20 0 JHADHN CC[C@H](C)N[C@H](CNC(=O)N[C@@](C)(CO)Cc1ccc(Br)cc1)c1ccco1 ZINC001312681069 1070079280 /nfs/dbraw/zinc/07/92/80/1070079280.db2.gz UPGYVJZAKYDTRT-RRMPHLOHSA-N 0 3 452.393 3.764 20 0 JHADHN CCN1CCN(c2ccc(NC(=O)CN[C@H](c3ccc(OC)cc3)C(F)(F)F)cc2)CC1 ZINC001307602400 1070076718 /nfs/dbraw/zinc/07/67/18/1070076718.db2.gz SKFQMVCFGPPMRY-JOCHJYFZSA-N 0 3 450.505 3.669 20 0 JHADHN Cc1cccc(COc2ccc([C@H](C)N[C@H](C)C(=O)N3CCN(c4ncccn4)CC3)cc2)c1 ZINC001307610047 1070080463 /nfs/dbraw/zinc/08/04/63/1070080463.db2.gz GPQSUTJWCLIFTL-FCHUYYIVSA-N 0 3 459.594 3.752 20 0 JHADHN CN(C)C[C@H]1COC2(CCCC2)CN1C(=O)N[C@H](c1cncc(Br)c1)C1CC1 ZINC001312684878 1070082120 /nfs/dbraw/zinc/08/21/20/1070082120.db2.gz KFOAXVMOOWAJAI-OALUTQOASA-N 0 3 451.409 3.580 20 0 JHADHN CCN(Cc1ccc2c(c1)OCO2)C(=O)NC1CCN(Cc2ccc(NC(C)=O)cc2)CC1 ZINC001312715387 1070092019 /nfs/dbraw/zinc/09/20/19/1070092019.db2.gz IBMAHSBZCZAUJM-UHFFFAOYSA-N 0 3 452.555 3.570 20 0 JHADHN C[C@@H](N[C@@H](C)c1ccc(OCC(=O)NC2CC2)cc1)C(=O)Nc1ccc(N2CCCC2)cc1 ZINC001307632796 1070092061 /nfs/dbraw/zinc/09/20/61/1070092061.db2.gz YXRIHCGXJXKNCW-RBUKOAKNSA-N 0 3 450.583 3.622 20 0 JHADHN CCOC(=O)c1c(NC(=O)CN(CC)[C@H]2CCN(Cc3ccccc3)C2)sc2c1CCC2 ZINC001307659271 1070108109 /nfs/dbraw/zinc/10/81/09/1070108109.db2.gz SFNKOSNPFAYUCM-IBGZPJMESA-N 0 3 455.624 3.948 20 0 JHADHN CN(C)c1ccc(NC(=O)CCN2CCC[C@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)cc1 ZINC001307672482 1070116239 /nfs/dbraw/zinc/11/62/39/1070116239.db2.gz NPIQHCNYHQJVDM-IBGZPJMESA-N 0 3 452.603 3.813 20 0 JHADHN CCCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(C(=O)N[C@H](C)CN(C)Cc2ccccc2)C1 ZINC001312796850 1070127532 /nfs/dbraw/zinc/12/75/32/1070127532.db2.gz IOYZLIFINRNSEU-UYAOXDASSA-N 0 3 456.553 3.729 20 0 JHADHN C[C@@H](c1ccc(OC(F)F)cc1)N1CCC[C@@H](N2CCN(C(=O)OC(C)(C)C)CC2=O)C1 ZINC001307700169 1070134350 /nfs/dbraw/zinc/13/43/50/1070134350.db2.gz ZRPKSFLIGNDYCD-FUHWJXTLSA-N 0 3 453.530 3.893 20 0 JHADHN CC(C)Cc1ccc([C@@H](CNC(=O)NCc2ccnc(N3CCSCC3)c2)N(C)C)cc1 ZINC001312816382 1070139706 /nfs/dbraw/zinc/13/97/06/1070139706.db2.gz DIMWDFKYQHYWTI-HSZRJFAPSA-N 0 3 455.672 3.935 20 0 JHADHN COC(=O)c1oc(CNC(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2c2cccc(F)c2)cc1C ZINC001312839021 1070148090 /nfs/dbraw/zinc/14/80/90/1070148090.db2.gz IRWHCGZIHQDUHR-XZOQPEGZSA-N 0 3 465.525 3.981 20 0 JHADHN CC(C)NC(=O)OC[C@H]1CCCCN1C[C@H]1CC2(CO1)CCN(C(=O)OC(C)(C)C)CC2 ZINC001307744336 1070162266 /nfs/dbraw/zinc/16/22/66/1070162266.db2.gz AMCVTRSVKIFKHR-WOJBJXKFSA-N 0 3 453.624 3.782 20 0 JHADHN CCN(C)C(=O)OC[C@H]1CCCCN1C[C@@H]1CC2(CO1)CCN(C(=O)OC(C)(C)C)CC2 ZINC001307748718 1070164770 /nfs/dbraw/zinc/16/47/70/1070164770.db2.gz PEMCDGODSGZZJA-UXHICEINSA-N 0 3 453.624 3.735 20 0 JHADHN CC(C)(C)OC(=O)N1CC[C@@H]([C@H]2CCCN(CC(=O)NCCCOC3CCCCC3)C2)C1 ZINC001307773093 1070177163 /nfs/dbraw/zinc/17/71/63/1070177163.db2.gz KMSJDGFPMDBBJZ-LEWJYISDSA-N 0 3 451.652 3.811 20 0 JHADHN CC1(C)[C@H](OCc2ccccc2)C[C@@H]1NCC(=O)Nc1ccccc1S(=O)(=O)C(F)F ZINC001307777054 1070179349 /nfs/dbraw/zinc/17/93/49/1070179349.db2.gz DIXAKBYYEAYVOS-RBUKOAKNSA-N 0 3 452.523 3.595 20 0 JHADHN CCOCc1nnc(N2CCC[C@@H](C(=O)Nc3ccc(C)cn3)C2)n1C[C@@H](c1cccs1)N(C)C ZINC001314360111 1070182924 /nfs/dbraw/zinc/18/29/24/1070182924.db2.gz IGCFTPKMOCHPCV-UXHICEINSA-N 0 3 497.669 3.738 20 0 JHADHN CN(CCOc1ccc(S(N)(=O)=O)cc1)CCSc1ccnc2cc(Cl)ccc21 ZINC001307805934 1070191571 /nfs/dbraw/zinc/19/15/71/1070191571.db2.gz OUVLUNNOOLMUJO-UHFFFAOYSA-N 0 3 452.001 3.639 20 0 JHADHN C[C@@H](N[C@H](C)c1ccc(N2CCCCC2=O)cc1)C(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC001307808497 1070193330 /nfs/dbraw/zinc/19/33/30/1070193330.db2.gz LXGORYOSQVNQGO-WOJBJXKFSA-N 0 3 452.574 3.731 20 0 JHADHN COc1ccc([C@@H](Cc2ccccc2)NCC(=O)N2CCC(C(=O)N(C)C(C)C)CC2)cc1 ZINC001307811856 1070195163 /nfs/dbraw/zinc/19/51/63/1070195163.db2.gz BPIFFDKUAZBJPD-RUZDIDTESA-N 0 3 451.611 3.674 20 0 JHADHN CN(CCn1cc(Br)cn1)C[C@@](C)(O)c1ccc(Br)cc1Cl ZINC001307817646 1070198569 /nfs/dbraw/zinc/19/85/69/1070198569.db2.gz BPPNOBWULJCZNN-OAHLLOKOSA-N 0 3 451.590 3.901 20 0 JHADHN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)NCC2CCN(Cc3ccncc3)CC2)C1 ZINC001312971702 1070204580 /nfs/dbraw/zinc/20/45/80/1070204580.db2.gz AZSROJNIQTWHOI-SIKLNZKXSA-N 0 3 459.635 3.628 20 0 JHADHN CCOCc1nnc(N2CCC[C@@H](n3nc(C)cc3C)C2)n1C[C@@H](c1ccc(F)cc1)N(C)C ZINC001314370374 1070207311 /nfs/dbraw/zinc/20/73/11/1070207311.db2.gz WPHQXAAOUPDACP-PKTZIBPZSA-N 0 3 469.609 3.911 20 0 JHADHN COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NC(=O)N(CCN(C)C)C(C)C)cc1F ZINC001312993086 1070214959 /nfs/dbraw/zinc/21/49/59/1070214959.db2.gz GXUKKIZFOJSSGR-FPOVZHCZSA-N 0 3 480.625 3.909 20 0 JHADHN CN1CCC[C@@H]1CNC(=O)N(CCOc1cccc(Br)c1)C[C@@H]1CCCS1 ZINC001313027959 1070225929 /nfs/dbraw/zinc/22/59/29/1070225929.db2.gz WYXYRIOTECIBKZ-MJGOQNOKSA-N 0 3 456.450 3.829 20 0 JHADHN Cc1ccccc1[C@@H](NCC(=O)N1CCc2cc(S(N)(=O)=O)ccc21)C1CCC(C)CC1 ZINC001307896368 1070229917 /nfs/dbraw/zinc/22/99/17/1070229917.db2.gz CKWZRCGORPUULX-HGEUABKPSA-N 0 3 455.624 3.689 20 0 JHADHN COc1ccc(CN(Cc2ccc(OC)cc2)C(=O)NC2CCN([C@@H]3CCOC3)CC2)cc1 ZINC001313045468 1070234104 /nfs/dbraw/zinc/23/41/04/1070234104.db2.gz GECGOJUTCIRXGT-HSZRJFAPSA-N 0 3 453.583 3.669 20 0 JHADHN CCOCc1nnc(N2CCN(C3CCCCC3)CC2)n1C[C@@H](c1c(F)cccc1F)N(C)C ZINC001314390086 1070243192 /nfs/dbraw/zinc/24/31/92/1070243192.db2.gz IPFWIHJNHBLFND-QFIPXVFZSA-N 0 3 476.616 3.850 20 0 JHADHN O=C(N1CCC[C@@H](C2CCN([C@@H]3CCCN(Cc4ccccc4)C3=O)CC2)C1)C(F)(F)F ZINC001307939984 1070250994 /nfs/dbraw/zinc/25/09/94/1070250994.db2.gz BTZDGLBDUUEEQO-NHCUHLMSSA-N 0 3 451.533 3.691 20 0 JHADHN C[C@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)CN[C@@H]1CCO[C@H]1c1ccc(=O)[nH]c1 ZINC001307993087 1070273219 /nfs/dbraw/zinc/27/32/19/1070273219.db2.gz PXLMWUANOVKELX-BYPCIHSKSA-N 0 3 474.561 3.679 20 0 JHADHN C[C@@H](c1cccc(NC(=O)c2ccccc2)c1)N(C)C(=O)CN[C@@H]1CCO[C@H]1c1ccc(=O)[nH]c1 ZINC001307993352 1070272927 /nfs/dbraw/zinc/27/29/27/1070272927.db2.gz PXLMWUANOVKELX-RNHNHXFSSA-N 0 3 474.561 3.679 20 0 JHADHN CCOCc1nnc(N2CCO[C@H](Cc3ccccc3)C2)n1C[C@@H](c1cccs1)N(C)C ZINC001314409378 1070273835 /nfs/dbraw/zinc/27/38/35/1070273835.db2.gz NONCVHHQIHWMIV-RTWAWAEBSA-N 0 3 455.628 3.627 20 0 JHADHN CSc1ccccc1NC(=O)CCN1C[C@H](C(=O)OC(C)(C)C)C[C@@H](c2cnn(C)c2)C1 ZINC001308012014 1070278981 /nfs/dbraw/zinc/27/89/81/1070278981.db2.gz JPKOEUJNLWVNPT-QZTJIDSGSA-N 0 3 458.628 3.918 20 0 JHADHN CCOc1ccc(NC(=O)CCN2C[C@@H](C(=O)OC(C)(C)C)C[C@@H](c3cnn(C)c3)C2)cc1 ZINC001308013631 1070279855 /nfs/dbraw/zinc/27/98/55/1070279855.db2.gz MPBLFPHGRKZFFS-MOPGFXCFSA-N 0 3 456.587 3.595 20 0 JHADHN CCOc1ccc(NC(=O)CCN2C[C@H](C(=O)OC(C)(C)C)C[C@@H](c3cnn(C)c3)C2)cc1 ZINC001308013639 1070280216 /nfs/dbraw/zinc/28/02/16/1070280216.db2.gz MPBLFPHGRKZFFS-RTBURBONSA-N 0 3 456.587 3.595 20 0 JHADHN C[C@H]1CN(CC2CCN(C(=O)OC(C)(C)C)CC2)C[C@]2(CCN(C(=O)OC(C)(C)C)C2)O1 ZINC001308049663 1070292692 /nfs/dbraw/zinc/29/26/92/1070292692.db2.gz BBGRCJOKQTVCDG-UUOWRZLLSA-N 0 3 453.624 3.734 20 0 JHADHN CCOC(=O)[C@@H]1CN(C[C@@H](CNC(=O)OC(C)(C)C)c2ccc(OC)cc2)C[C@H]1C(F)(F)F ZINC001308057754 1070296544 /nfs/dbraw/zinc/29/65/44/1070296544.db2.gz QNSQOERQHVVPQX-BHIYHBOVSA-N 0 3 474.520 3.977 20 0 JHADHN CCOC[C@@H]1CCN(c2nnc(-c3cccc(C)n3)n2C[C@H](c2ccc(F)cc2)N(C)C)C1 ZINC001314432559 1070317332 /nfs/dbraw/zinc/31/73/32/1070317332.db2.gz CEYVBBMWSHZVKP-AUSIDOKSSA-N 0 3 452.578 3.953 20 0 JHADHN CN(C)CCN(Cc1ccccc1)C(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F ZINC001313292692 1070319197 /nfs/dbraw/zinc/31/91/97/1070319197.db2.gz YUGRWYHIDMCGIR-LJQANCHMSA-N 0 3 454.562 3.652 20 0 JHADHN C[C@@H](CN1CCN(c2ccccn2)CC1)NCc1nc(-c2cccc(Br)c2)c[nH]1 ZINC001308278441 1070350860 /nfs/dbraw/zinc/35/08/60/1070350860.db2.gz BJLKHTGYDHPVEL-KRWDZBQOSA-N 0 3 455.404 3.535 20 0 JHADHN COc1ccc(Cl)cc1NC(=O)CCNCc1c(Cl)cccc1N1CCN(C)CC1 ZINC001308303767 1070354228 /nfs/dbraw/zinc/35/42/28/1070354228.db2.gz RHEDPSXZLPEZBQ-UHFFFAOYSA-N 0 3 451.398 3.872 20 0 JHADHN O=C(Nc1ccccc1)N1CC[C@@H](NCc2ccc(Br)cc2N2CCOCC2)C1 ZINC001308382419 1070365209 /nfs/dbraw/zinc/36/52/09/1070365209.db2.gz ISXCEEOGAVTBQX-HXUWFJFHSA-N 0 3 459.388 3.682 20 0 JHADHN O=c1cc(N2CC[C@@H]([NH2+]Cc3ccc(OCc4ccccc4)c(Br)c3)C2)nc[n-]1 ZINC001308543420 1070388078 /nfs/dbraw/zinc/38/80/78/1070388078.db2.gz IRVMVDVKJXIQDF-GOSISDBHSA-N 0 3 455.356 3.892 20 0 JHADHN CCCn1nc(-c2nnc(N3C[C@H](C)N(CC)C[C@H]3C)n2CCCSC)c2ccccc2c1=O ZINC001313455509 1070392778 /nfs/dbraw/zinc/39/27/78/1070392778.db2.gz MTNGPCBANMHCMK-RBUKOAKNSA-N 0 3 483.686 3.737 20 0 JHADHN CCCn1nc(-c2nnc(N3CCN(CC(C)C)CC3)n2C[C@@H](C)SC)c2ccccc2c1=O ZINC001313460322 1070410765 /nfs/dbraw/zinc/41/07/65/1070410765.db2.gz NQNVIHGWUJZYMB-LJQANCHMSA-N 0 3 483.686 3.595 20 0 JHADHN COC(=O)c1ccc(COc2ccc(CN3CCC(OC[C@H]4CCOC4)CC3)cc2OC)o1 ZINC001308633990 1070407478 /nfs/dbraw/zinc/40/74/78/1070407478.db2.gz BLVPXSCMUOPMQA-IBGZPJMESA-N 0 3 459.539 3.671 20 0 JHADHN C[C@@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)N[C@@H](Cn1ccccc1=O)c1ccccc1 ZINC001308718396 1070425298 /nfs/dbraw/zinc/42/52/98/1070425298.db2.gz AWZOYNBARYGAIK-CYFREDJKSA-N 0 3 458.562 3.945 20 0 JHADHN CCOc1cc(CN[C@@H]2COc3ccccc3[C@H]2O)ccc1OCc1ccc(C(=O)OC)o1 ZINC001308797816 1070439597 /nfs/dbraw/zinc/43/95/97/1070439597.db2.gz JMADSNVYIBLMEX-NTKDMRAZSA-N 0 3 453.491 3.628 20 0 JHADHN CC(C)(C)OC(=O)N(CCO)[C@H]1CCCN(C[C@@]2(C)CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC001308989076 1070471670 /nfs/dbraw/zinc/47/16/70/1070471670.db2.gz ZJPKBJMDTQUQNN-YADARESESA-N 0 3 455.640 3.717 20 0 JHADHN CCS(=O)(=O)C[C@H](C)N(C)c1nnc(-c2ccccc2Cl)n1C[C@H](C)N1CCC[C@H](C)C1 ZINC001314519104 1070501367 /nfs/dbraw/zinc/50/13/67/1070501367.db2.gz SPNJDQKZDUVHAN-FHWLQOOXSA-N 0 3 482.094 3.978 20 0 JHADHN COc1cc(Br)c(F)cc1S(=O)(=O)[N-]CCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001309064262 1070517374 /nfs/dbraw/zinc/51/73/74/1070517374.db2.gz SCSFRWIIQTVESS-KBPBESRZSA-N 0 3 451.402 3.633 20 0 JHADHN CC[S@](=O)CCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@H](N2CCCC2)C1 ZINC001314560957 1070562472 /nfs/dbraw/zinc/56/24/72/1070562472.db2.gz VGRFHVHBENKNJY-OHDHMGFPSA-N 0 3 480.078 3.905 20 0 JHADHN CCCO[C@H]1CCCN(c2nnc(C(=O)Nc3ccccn3)n2CCN2CCCC(C)(C)C2)CC1 ZINC001313525758 1070599580 /nfs/dbraw/zinc/59/95/80/1070599580.db2.gz LIGNSAUACFKLDU-NRFANRHFSA-N 0 3 483.661 3.833 20 0 JHADHN COC(=O)c1cc(S(=O)(=O)N(C)[C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)ccc1Cl ZINC001309203256 1070604672 /nfs/dbraw/zinc/60/46/72/1070604672.db2.gz WCEDXVMIGPJSOG-FUHWJXTLSA-N 0 3 450.988 3.800 20 0 JHADHN Cc1ccc([C@@H]2CN(Cc3ccccc3)C[C@H]2S(=O)(=O)NC[C@H](CO)c2ccccc2)cc1 ZINC001309241833 1070637539 /nfs/dbraw/zinc/63/75/39/1070637539.db2.gz BVPAHXZHORLUHJ-KWXIBIRDSA-N 0 3 464.631 3.659 20 0 JHADHN C[C@H]1CN(Cc2ccccc2)CC[C@@H]1NS(=O)(=O)Cc1cccc(F)c1Br ZINC001309247769 1070643337 /nfs/dbraw/zinc/64/33/37/1070643337.db2.gz 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JHADHN CCN1C[C@H](C)N(c2nnc([C@H](C)OCCOC)n2Cc2cccc(C(F)(F)F)c2)C[C@H]1C ZINC001313862773 1071378156 /nfs/dbraw/zinc/37/81/56/1071378156.db2.gz RJPHEXPGPHBFDW-SQNIBIBYSA-N 0 3 469.552 3.988 20 0 JHADHN CCN1C[C@H](C)N(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCN2CCSCC2)C[C@@H]1C ZINC001313862720 1071378432 /nfs/dbraw/zinc/37/84/32/1071378432.db2.gz QQPVXWQDBDAJKX-SLFFLAALSA-N 0 3 476.666 3.525 20 0 JHADHN CCN1C[C@H](C)N(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCN2CCSCC2)C[C@H]1C ZINC001313862719 1071378692 /nfs/dbraw/zinc/37/86/92/1071378692.db2.gz QQPVXWQDBDAJKX-HSALFYBXSA-N 0 3 476.666 3.525 20 0 JHADHN CN1CCN(CCn2c(CCCc3ccccc3)nnc2N2CCC[C@H](C(F)F)C2)CC1(C)C ZINC001314932069 1071378704 /nfs/dbraw/zinc/37/87/04/1071378704.db2.gz YSRCQUBEQAQCDO-QFIPXVFZSA-N 0 3 474.644 3.961 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(-c3cc(OC)cc(OC)c3)n2CCCn2nc(C)cc2C)C[C@H]1C ZINC001313863181 1071380161 /nfs/dbraw/zinc/38/01/61/1071380161.db2.gz VAKSANJHKUPTIL-NHCUHLMSSA-N 0 3 481.645 3.785 20 0 JHADHN CCN1C[C@H](C)N(c2nnc([C@@H](C)OCCOC)n2CCc2ccccc2Cl)C[C@H]1C ZINC001313863818 1071383341 /nfs/dbraw/zinc/38/33/41/1071383341.db2.gz TWTOGFJKGVZGNK-CEXWTWQISA-N 0 3 450.027 3.817 20 0 JHADHN CCN1C[C@H](C)N(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2Cc2cnn(C)c2C)C[C@@H]1C ZINC001313863867 1071383917 /nfs/dbraw/zinc/38/39/17/1071383917.db2.gz ULDARUGSQSMAOD-JENIJYKNSA-N 0 3 455.582 3.566 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3cc(Br)c[nH]3)n2CCc2ccccn2)C[C@@H]1C ZINC001313863883 1071384386 /nfs/dbraw/zinc/38/43/86/1071384386.db2.gz UONPSQFOAFAGPQ-HOTGVXAUSA-N 0 3 458.408 3.592 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(C3CCC3)n2Cc2c(Cl)c(C(F)(F)F)nn2C)C[C@@H]1C ZINC001313864105 1071384730 /nfs/dbraw/zinc/38/47/30/1071384730.db2.gz LUFYPLFTDSKTMT-QWHCGFSZSA-N 0 3 459.948 3.919 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(-c3ccc4c(c3)OCO4)n2C[C@@H](C)NC(=O)OC(C)(C)C)C[C@@H]1C ZINC001313864708 1071388711 /nfs/dbraw/zinc/38/87/11/1071388711.db2.gz GTMVVDPPIXDNBI-FGTMMUONSA-N 0 3 486.617 3.506 20 0 JHADHN CCN1C[C@H](C)N(c2nnc([C@]3(OC(C)C)CCOC3)n2Cc2ccc(Cl)c(OC)c2)C[C@H]1C ZINC001313864424 1071386568 /nfs/dbraw/zinc/38/65/68/1071386568.db2.gz UZSRLDVGXQNKTD-WYEJZRMESA-N 0 3 492.064 3.948 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2CC2CCC(F)(F)CC2)C[C@H]1C ZINC001313865383 1071392378 /nfs/dbraw/zinc/39/23/78/1071392378.db2.gz ZLEBVLAAIKCRDB-SJORKVTESA-N 0 3 461.561 3.670 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(CCc3ccc(OC)cc3)n2C[C@@H]2CCOC[C@H]2C)C[C@@H]1C ZINC001313865348 1071392410 /nfs/dbraw/zinc/39/24/10/1071392410.db2.gz AGHPXOMDNFCDCL-FBPBVXOASA-N 0 3 455.647 3.663 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3cnccn3)n2CC(C)(C)c2ccc(OC)c(OC)c2)C[C@@H]1C ZINC001313865833 1071394517 /nfs/dbraw/zinc/39/45/17/1071394517.db2.gz PGUIWZGVBYEIMP-OALUTQOASA-N 0 3 479.629 3.649 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3cc(Br)c[nH]3)n2CC2(O)CCCCC2)C[C@@H]1C ZINC001313865889 1071394613 /nfs/dbraw/zinc/39/46/13/1071394613.db2.gz YNIRISWDIPJZJA-HOTGVXAUSA-N 0 3 465.440 3.650 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(-c3cc4c(s3)CCCCC4)n2CCCNC(C)=O)C[C@H]1C ZINC001313864935 1071389649 /nfs/dbraw/zinc/38/96/49/1071389649.db2.gz ZLPZICDGSWEOFI-QZTJIDSGSA-N 0 3 458.676 3.721 20 0 JHADHN CCN1C[C@H](C)N(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2Cc2ccc(C)n(C)c2=O)C[C@@H]1C ZINC001313865880 1071394107 /nfs/dbraw/zinc/39/41/07/1071394107.db2.gz YMKHPCPGYZMECW-SLFFLAALSA-N 0 3 482.604 3.532 20 0 JHADHN CCN1C[C@H](C)N(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ccnc(C(F)(F)F)c2)C[C@H]1C ZINC001313865028 1071390065 /nfs/dbraw/zinc/39/00/65/1071390065.db2.gz WEMUTUURUZXWKZ-IEGUWTFLSA-N 0 3 496.578 3.700 20 0 JHADHN CCN1C[C@H](C)N(c2nnc([C@H](C)Oc3ccccc3F)n2CC2CCN(C(C)=O)CC2)C[C@@H]1C ZINC001313865748 1071394705 /nfs/dbraw/zinc/39/47/05/1071394705.db2.gz XICKWROYDRJMBC-UFYCRDLUSA-N 0 3 486.636 3.735 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(Cc3csc(C)n3)n2CCCCn2ccnc2C)C[C@H]1C ZINC001313866144 1071395074 /nfs/dbraw/zinc/39/50/74/1071395074.db2.gz DCRCZJGUEBKEBM-QZTJIDSGSA-N 0 3 456.664 3.538 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@]2(O)CCO[C@H]2C)C[C@H]1C ZINC001313865965 1071395244 /nfs/dbraw/zinc/39/52/44/1071395244.db2.gz JDOCDJPYFINBQP-TWJGEFDFSA-N 0 3 468.429 3.711 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3ccc(Cl)cc3)n2CCCOC[C@@H]2CCOC2)C[C@@H]1C ZINC001313867130 1071398276 /nfs/dbraw/zinc/39/82/76/1071398276.db2.gz LONQBKVMPLKCRS-UFYCRDLUSA-N 0 3 462.038 3.961 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(-c3cccc(C)n3)n2Cc2ccccc2OCCOC)C[C@H]1C ZINC001313868633 1071405693 /nfs/dbraw/zinc/40/56/93/1071405693.db2.gz VNECOGHANQUKRR-NHCUHLMSSA-N 0 3 464.614 3.641 20 0 JHADHN CCN1C[C@H](C)N(c2nnc([C@@H]3CCCOC3)n2Cc2cccc(C(F)(F)F)n2)C[C@@H]1C ZINC001313868007 1071402581 /nfs/dbraw/zinc/40/25/81/1071402581.db2.gz LPGPLYUSWCGNHP-YESZJQIVSA-N 0 3 452.525 3.553 20 0 JHADHN CN(C)CCN(Cc1ccc(Br)cc1)C(=O)Nc1cccc([C@@H]2CNC(=O)C2)c1 ZINC001310460042 1071402923 /nfs/dbraw/zinc/40/29/23/1071402923.db2.gz UYLUOJORTPEYNT-SFHVURJKSA-N 0 3 459.388 3.648 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(CN3CCCC3=O)n2CC[C@@H](C)c2ccc(OC)cc2)C[C@H]1C ZINC001313868422 1071404448 /nfs/dbraw/zinc/40/44/48/1071404448.db2.gz NDAROFLRBCJNKZ-NJYVYQBISA-N 0 3 468.646 3.522 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(Cc3cn4ccccc4n3)n2CCSCC(C)C)C[C@@H]1C ZINC001313869415 1071408225 /nfs/dbraw/zinc/40/82/25/1071408225.db2.gz PNCUZBKRYLMHDE-VQTJNVASSA-N 0 3 455.676 3.825 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(Cc3cn4ccccc4n3)n2CCSCC(C)C)C[C@H]1C ZINC001313869416 1071408539 /nfs/dbraw/zinc/40/85/39/1071408539.db2.gz PNCUZBKRYLMHDE-WOJBJXKFSA-N 0 3 455.676 3.825 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@H]2OCCC2(C)C)C[C@H]1C ZINC001313869595 1071409203 /nfs/dbraw/zinc/40/92/03/1071409203.db2.gz QFALSEPPIFMJQN-FGSXEWAUSA-N 0 3 457.619 3.696 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@H]2OCCC2(C)C)C[C@@H]1C ZINC001313869609 1071409237 /nfs/dbraw/zinc/40/92/37/1071409237.db2.gz QFALSEPPIFMJQN-SPEDKVCISA-N 0 3 457.619 3.696 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@H]2OCCC2(C)C)C[C@@H]1C ZINC001313869605 1071409262 /nfs/dbraw/zinc/40/92/62/1071409262.db2.gz QFALSEPPIFMJQN-NPPFBWRTSA-N 0 3 457.619 3.696 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2Cc2ccoc2)C[C@@H]1C ZINC001313869510 1071409386 /nfs/dbraw/zinc/40/93/86/1071409386.db2.gz PIYMAAUXXHQPHM-RBUKOAKNSA-N 0 3 472.634 3.953 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(Cc3c(F)cccc3F)n2CC2CCN(C(=O)OC)CC2)C[C@@H]1C ZINC001313870692 1071415156 /nfs/dbraw/zinc/41/51/56/1071415156.db2.gz FQEGXDPRLITCHG-ZWKOTPCHSA-N 0 3 490.599 3.544 20 0 JHADHN CCN1C[C@H](C)N(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCCCSC)C[C@H]1C ZINC001313871861 1071418189 /nfs/dbraw/zinc/41/81/89/1071418189.db2.gz UBMUZXAJZDYUET-HSALFYBXSA-N 0 3 496.722 3.649 20 0 JHADHN CCN1C[C@H](C)N(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2Cc2cccc(C)c2)C[C@H]1C ZINC001313871877 1071418920 /nfs/dbraw/zinc/41/89/20/1071418920.db2.gz UPMXPMJYKISKTB-FUPPJEDESA-N 0 3 498.672 3.862 20 0 JHADHN CCN1C[C@H](C)N(c2nnc([C@H]3CCOC3)n2CCc2ccccc2C(F)(F)F)C[C@H]1C ZINC001313872568 1071421849 /nfs/dbraw/zinc/42/18/49/1071421849.db2.gz WWAGIIUJTAERET-AOIWGVFYSA-N 0 3 451.537 3.962 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(COc3ccc(F)cc3)n2C[C@@H]2CCN(CC(F)(F)F)C2)C[C@@H]1C ZINC001313872507 1071422144 /nfs/dbraw/zinc/42/21/44/1071422144.db2.gz AXBDWFIZTTXADD-GBESFXJTSA-N 0 3 498.569 3.799 20 0 JHADHN CN(C)[C@@H](CNC(=O)Nc1cnc2c(c1)C[C@@H](NC(=O)OC(C)(C)C)CC2)c1ccccc1 ZINC001310482170 1071424517 /nfs/dbraw/zinc/42/45/17/1071424517.db2.gz MINOKSCGMYYOOJ-UGKGYDQZSA-N 0 3 453.587 3.888 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(Cc3ccc(Cl)cc3)n2CCCCCS(C)(=O)=O)C[C@@H]1C ZINC001313874082 1071427020 /nfs/dbraw/zinc/42/70/20/1071427020.db2.gz MKZRZFHAKAUSBW-RBUKOAKNSA-N 0 3 482.094 3.656 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(COc3ccc(C)cc3)n2Cc2ccc(OC)nc2OC)C[C@@H]1C ZINC001313874709 1071430481 /nfs/dbraw/zinc/43/04/81/1071430481.db2.gz JTBVYMJXPCYHNP-PMACEKPBSA-N 0 3 480.613 3.545 20 0 JHADHN CNC(=O)[C@H](C)CN(C)c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H](c1ccco1)N1CCCC1 ZINC001314959075 1071432099 /nfs/dbraw/zinc/43/20/99/1071432099.db2.gz UNMAKGSPCIIIAP-NQIIRXRSSA-N 0 3 485.032 3.771 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3ccccn3)n2Cc2cc(COC(C)(C)C)on2)C[C@@H]1C ZINC001313876675 1071438978 /nfs/dbraw/zinc/43/89/78/1071438978.db2.gz VKOYANVHZYLSJZ-ROUUACIJSA-N 0 3 453.591 3.610 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(CNC(=O)c3cccs3)n2CCc2ccc(F)cc2)C[C@H]1C ZINC001313876967 1071439788 /nfs/dbraw/zinc/43/97/88/1071439788.db2.gz PSSXOEIMWZCARD-QZTJIDSGSA-N 0 3 470.618 3.570 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(Cn3nc(C)cc3C)n2CCOc2cccc(Cl)c2)C[C@H]1C ZINC001313875551 1071435227 /nfs/dbraw/zinc/43/52/27/1071435227.db2.gz MSDIELQOLCNZLM-WOJBJXKFSA-N 0 3 472.037 3.791 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(-c3ccccc3Cl)n2CC2CCN(C(=O)OC)CC2)C[C@H]1C ZINC001313877891 1071443140 /nfs/dbraw/zinc/44/31/40/1071443140.db2.gz XKHKREJINDACDL-QZTJIDSGSA-N 0 3 475.037 3.996 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(-c3cccn3C)n2Cc2cc(Cl)c(OC)c(OC)c2)C[C@H]1C ZINC001313878861 1071446828 /nfs/dbraw/zinc/44/68/28/1071446828.db2.gz ZHQLTBMQZDLTMI-IAGOWNOFSA-N 0 3 473.021 3.921 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(Cc3cccnc3)n2CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)C[C@@H]1C ZINC001313879076 1071447579 /nfs/dbraw/zinc/44/75/79/1071447579.db2.gz YPNTVSZTABFEAK-FKBYEOEOSA-N 0 3 497.688 3.830 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(COc3ccccc3OC)n2C[C@H]2CSCCS2)C[C@@H]1C ZINC001313882697 1071458945 /nfs/dbraw/zinc/45/89/45/1071458945.db2.gz GFRGMSLXIOSNSX-FHWLQOOXSA-N 0 3 477.700 3.633 20 0 JHADHN CCN1C[C@H](C)N(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccccc2C(F)(F)F)C[C@@H]1C ZINC001313887119 1071472305 /nfs/dbraw/zinc/47/23/05/1071472305.db2.gz SYGRSQLKZDDTQL-VKRLORBYSA-N 0 3 481.563 3.988 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC(C)(C)COC)C[C@@H]1C ZINC001313888609 1071477643 /nfs/dbraw/zinc/47/76/43/1071477643.db2.gz WVVHUQOLTGQUBF-ZCNNSNEGSA-N 0 3 478.682 3.942 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(CSc3ccccc3OC)n2CCn2ccnc2C)C[C@H]1C ZINC001313889324 1071479282 /nfs/dbraw/zinc/47/92/82/1071479282.db2.gz XPCGFFYSWXVYIN-MOPGFXCFSA-N 0 3 469.659 3.703 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2ccc(NC(C)=O)nc2)C[C@H]1C ZINC001313889339 1071479853 /nfs/dbraw/zinc/47/98/53/1071479853.db2.gz XPQOUKZOTFAEAU-SVVKQXANSA-N 0 3 483.661 3.517 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(CSc3ccccc3OC)n2CCn2ccnc2C)C[C@@H]1C ZINC001313889325 1071480075 /nfs/dbraw/zinc/48/00/75/1071480075.db2.gz XPCGFFYSWXVYIN-OALUTQOASA-N 0 3 469.659 3.703 20 0 JHADHN CNC(=O)c1ccc(CN(C)c2nnc(CC(C)C)n2C[C@H](c2cccs2)N(C)C)cc1 ZINC001314980419 1071482029 /nfs/dbraw/zinc/48/20/29/1071482029.db2.gz UOVOYGYDZOHQBM-HXUWFJFHSA-N 0 3 454.644 3.837 20 0 JHADHN CCN1CCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)[C@H](CF)c1ccc(Br)cc1 ZINC001313896073 1071498827 /nfs/dbraw/zinc/49/88/27/1071498827.db2.gz CSADNLCQMNKQSL-RBUKOAKNSA-N 0 3 495.441 3.810 20 0 JHADHN CCN1CCC[C@@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCO[C@@H](C(C)(C)C)C1 ZINC001313897428 1071502025 /nfs/dbraw/zinc/50/20/25/1071502025.db2.gz JLDBIORTCCFJBG-FGZHOGPDSA-N 0 3 468.646 3.883 20 0 JHADHN CCN1CCC[C@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 ZINC001313902511 1071513478 /nfs/dbraw/zinc/51/34/78/1071513478.db2.gz ZHPIFRCOGZLLOF-FQEVSTJZSA-N 0 3 493.574 3.904 20 0 JHADHN CCN1CCCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)Cc1ccccc1N1CCCC1 ZINC001313903154 1071514978 /nfs/dbraw/zinc/51/49/78/1071514978.db2.gz CEHKLTDQLYUZAQ-QFIPXVFZSA-N 0 3 467.662 3.527 20 0 JHADHN CCN1CCCC[C@@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC(F)(F)C1 ZINC001313907035 1071525723 /nfs/dbraw/zinc/52/57/23/1071525723.db2.gz VTDGHGDQERQJND-GOSISDBHSA-N 0 3 466.964 3.581 20 0 JHADHN CCN1CCCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(OC(C)(C)C)CC1 ZINC001313906845 1071525745 /nfs/dbraw/zinc/52/57/45/1071525745.db2.gz SAJHYRPMPFYSGY-IBGZPJMESA-N 0 3 469.634 3.584 20 0 JHADHN CNC(=O)CCCN(C)c1nnc(-c2cn(C)c3ccccc23)n1C[C@H](c1ccsc1)N(C)C ZINC001315025930 1071550284 /nfs/dbraw/zinc/55/02/84/1071550284.db2.gz APBGUCUYACMWCM-JOCHJYFZSA-N 0 3 479.654 3.764 20 0 JHADHN CCN(CC)[C@H](Cn1c(-c2ccc(C)o2)nnc1N1CCCN(CC)C(=O)C1)c1ccco1 ZINC001313916728 1071553603 /nfs/dbraw/zinc/55/36/03/1071553603.db2.gz JHBNTDMLFTXFKM-LJQANCHMSA-N 0 3 454.575 3.581 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(-c3cc(Br)cn3C)nnc2N2CCC(C)=C(C)C2)CC1 ZINC001313919520 1071557062 /nfs/dbraw/zinc/55/70/62/1071557062.db2.gz CFVCSPWFBNRKNZ-LJQANCHMSA-N 0 3 490.494 3.619 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(-c3cccc(OC)c3)nnc2N2CC=C(C(F)(F)F)CC2)CC1 ZINC001313921002 1071560581 /nfs/dbraw/zinc/56/05/81/1071560581.db2.gz NJWDTUCTUGKSEJ-SFHVURJKSA-N 0 3 478.563 3.679 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(-c3ccccc3Br)nnc2N(C)CCC(F)F)CC1 ZINC001313924435 1071570288 /nfs/dbraw/zinc/57/02/88/1071570288.db2.gz FVNNUMYKGPEBOR-MRXNPFEDSA-N 0 3 485.421 3.825 20 0 JHADHN CNC(=O)CCN(C)c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H](c1ccco1)N1CCCC1 ZINC001315041123 1071573221 /nfs/dbraw/zinc/57/32/21/1071573221.db2.gz LXKTWGQHBNQBLS-FQEVSTJZSA-N 0 3 471.005 3.525 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(-c3ccc(OC)c(OC)c3)nnc2N(C)Cc2ccc(C)s2)CC1 ZINC001313925676 1071574243 /nfs/dbraw/zinc/57/42/43/1071574243.db2.gz UNSYGJLRDOCRNX-LJQANCHMSA-N 0 3 498.697 3.995 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(COc3ccc(C)c(C)c3)nnc2N2CCC(F)(F)CC2)CC1 ZINC001313926166 1071575367 /nfs/dbraw/zinc/57/53/67/1071575367.db2.gz ALIOSHZPZDIGAX-OAQYLSRUSA-N 0 3 476.616 3.735 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(-c3ccc(OC)cc3OC)nnc2N2C[C@@H](C)CC[C@H]2C)CC1 ZINC001313926303 1071576367 /nfs/dbraw/zinc/57/63/67/1071576367.db2.gz WZDWSTMOGCXTKI-PWRODBHTSA-N 0 3 470.662 3.613 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(COc3ccc(C)cc3)nnc2N2CC[C@](C)(CC)C2)CC1 ZINC001313926524 1071577011 /nfs/dbraw/zinc/57/70/11/1071577011.db2.gz DGYASEVZZROVHD-GJZUVCINSA-N 0 3 454.663 3.818 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(CCc3ccccc3)nnc2N2CC[C@@H](CC(C)C)C2)CC1 ZINC001313927762 1071581201 /nfs/dbraw/zinc/58/12/01/1071581201.db2.gz LUKPAQQIJKYCKG-ZCYQVOJMSA-N 0 3 452.691 3.962 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(COc3cccc(C)c3)nnc2N2CCC(OC(C)C)CC2)CC1 ZINC001313927218 1071579284 /nfs/dbraw/zinc/57/92/84/1071579284.db2.gz IQHVHLNHQXPJKB-HSZRJFAPSA-N 0 3 484.689 3.585 20 0 JHADHN CCN1CCN([C@H](C)Cn2c([C@H]3CCCCO3)nnc2N(C)[C@@H](C)c2ccc(OC)cc2)CC1 ZINC001313927645 1071581308 /nfs/dbraw/zinc/58/13/08/1071581308.db2.gz JLVJNSNPZRBRBO-ZFGGDYGUSA-N 0 3 470.662 3.752 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(Cc3ccc(Cl)cc3)nnc2N(C)Cc2c(C)nn(C)c2C)CC1 ZINC001313927359 1071579861 /nfs/dbraw/zinc/57/98/61/1071579861.db2.gz JXGMRQLEPYMVAY-IBGZPJMESA-N 0 3 499.107 3.535 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(COc3ccc(C(C)(C)C)cc3)nnc2N(C)Cc2ccon2)CC1 ZINC001313927625 1071581353 /nfs/dbraw/zinc/58/13/53/1071581353.db2.gz MNZJTTHZVXLJLD-OAQYLSRUSA-N 0 3 495.672 3.805 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(COc3cc(C)ccc3C)nnc2N(C)OC2CCCC2)CC1 ZINC001313927546 1071580622 /nfs/dbraw/zinc/58/06/22/1071580622.db2.gz MAVAGYUNCYGNSE-JOCHJYFZSA-N 0 3 470.662 3.810 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(COc3ccc(C(C)(C)C)cc3)nnc2N(C)Cc2ccon2)CC1 ZINC001313927623 1071580877 /nfs/dbraw/zinc/58/08/77/1071580877.db2.gz MNZJTTHZVXLJLD-NRFANRHFSA-N 0 3 495.672 3.805 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(COc3ccc(C)c(C)c3)nnc2N2CCC[C@@](C)(OC)C2)CC1 ZINC001313928283 1071583327 /nfs/dbraw/zinc/58/33/27/1071583327.db2.gz TYSXSBDMKVDHQW-YIXXDRMTSA-N 0 3 484.689 3.505 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(CC(C)(C)C)nnc2N2CCc3cc(F)cc(F)c3C2)CC1 ZINC001313928615 1071584478 /nfs/dbraw/zinc/58/44/78/1071584478.db2.gz MKQVJPCXHBOPAH-GOSISDBHSA-N 0 3 460.617 3.734 20 0 JHADHN CCN(c1nnc(COc2ccccc2F)n1C[C@H](C)N1CCN(CC)CC1)C1CCCC1 ZINC001313929073 1071585840 /nfs/dbraw/zinc/58/58/40/1071585840.db2.gz XHKXNWRBBUYOMJ-FQEVSTJZSA-N 0 3 458.626 3.791 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(Cc3ccc(F)cc3)nnc2N2CCS[C@@H](C(C)C)C2)CC1 ZINC001313930078 1071588276 /nfs/dbraw/zinc/58/82/76/1071588276.db2.gz VAGBLAMIPFKTLN-NZQKXSOJSA-N 0 3 474.694 3.612 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(CC(C)C)nnc2N2CCC[C@@H]2c2ccc(COC)o2)CC1 ZINC001313931339 1071591944 /nfs/dbraw/zinc/59/19/44/1071591944.db2.gz XYALSEZLNJEXTL-IFMALSPDSA-N 0 3 458.651 3.584 20 0 JHADHN CCN1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CCn2ccnc2C)C[C@H]1C ZINC001313941363 1071616830 /nfs/dbraw/zinc/61/68/30/1071616830.db2.gz BQNFHMVVQHPHRS-HXUWFJFHSA-N 0 3 465.646 3.890 20 0 JHADHN CCN1CCN([C@@H]2CCN(c3nnc(CC(C)(C)C)n3CCCOc3ccc(F)cc3)C2)CC1 ZINC001313946202 1071627846 /nfs/dbraw/zinc/62/78/46/1071627846.db2.gz ACEJDBBUCCKZEF-JOCHJYFZSA-N 0 3 472.653 3.691 20 0 JHADHN CCN1CCN([C@@H]2CCN(c3nnc(CC(C)(C)C)n3CCCc3cc(OC)ccc3OC)C2)CC1 ZINC001313949167 1071635893 /nfs/dbraw/zinc/63/58/93/1071635893.db2.gz VOSQZIGJBNTXKS-HSZRJFAPSA-N 0 3 498.716 3.733 20 0 JHADHN CCN1CCN([C@@H]2CCN(c3nnc(CC(C)C)n3Cc3cscc3C(F)(F)F)C2)CC1 ZINC001313949574 1071636931 /nfs/dbraw/zinc/63/69/31/1071636931.db2.gz ZNKSOXDVEAWEIH-GOSISDBHSA-N 0 3 470.609 3.821 20 0 JHADHN CCN1CCN(C[C@H](C)Cn2c(N3CCC[C@@H](c4noc(C(C)C)n4)C3)nnc2C(C)(C)C)CC1 ZINC001313952188 1071644905 /nfs/dbraw/zinc/64/49/05/1071644905.db2.gz OPHXNNRUXKJVEI-LEWJYISDSA-N 0 3 486.709 3.740 20 0 JHADHN CCN1CCN(C[C@@H](C)Cn2c(CSc3ccc(C)cc3)nnc2N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001313952958 1071647038 /nfs/dbraw/zinc/64/70/38/1071647038.db2.gz VKDAWKUQPLBSGQ-ZLNRFVROSA-N 0 3 486.730 3.766 20 0 JHADHN CCN1CCN(C[C@@H](C)Cn2c(CC(C)C)nnc2N(C)Cc2nc3ccccc3s2)CC1 ZINC001313955934 1071656710 /nfs/dbraw/zinc/65/67/10/1071656710.db2.gz IZLSPASGEVNMNN-HXUWFJFHSA-N 0 3 469.703 3.996 20 0 JHADHN CCN1CCN(C[C@@H](C)Cn2c(Cc3csc(C)n3)nnc2N2CCCC[C@@H](SC)C2)CC1 ZINC001313958087 1071662497 /nfs/dbraw/zinc/66/24/97/1071662497.db2.gz TVWZPJATRNKEHW-DENIHFKCSA-N 0 3 491.775 3.629 20 0 JHADHN CCN1CCN(C[C@H](C)Cn2c(Cc3ccc(Cl)cc3)nnc2N2CCC(F)(F)C2)CC1 ZINC001313957649 1071661154 /nfs/dbraw/zinc/66/11/54/1071661154.db2.gz REIHMPNYTFTFHA-SFHVURJKSA-N 0 3 467.008 3.641 20 0 JHADHN CCN1CCN(CCCn2c(CC(C)(C)C)nnc2N(C)Cc2cc(F)c(F)c(F)c2)CC1 ZINC001313957738 1071661271 /nfs/dbraw/zinc/66/12/71/1071661271.db2.gz YSDSLYWYWOVXAD-UHFFFAOYSA-N 0 3 466.596 3.948 20 0 JHADHN CCN1CCN(C[C@@H](C)Cn2c(Cc3ccsc3)nnc2N2CCO[C@](C)(C(C)(C)C)C2)CC1 ZINC001313957956 1071662379 /nfs/dbraw/zinc/66/23/79/1071662379.db2.gz SRTWGGXVOZBXKH-RLWLMLJZSA-N 0 3 488.746 3.845 20 0 JHADHN CCN1CCN(CCCn2c([C@H](C)Oc3ccccc3F)nnc2N2CCO[C@@](C)(CC)C2)CC1 ZINC001313961508 1071672854 /nfs/dbraw/zinc/67/28/54/1071672854.db2.gz UPOFIOPBFFVETF-LVXARBLLSA-N 0 3 488.652 3.590 20 0 JHADHN CCNC(=O)C(C)(C)Cn1c(-c2ccc(Cl)cc2OC)nnc1N1CCN(C(C)(C)C)CC1 ZINC001313967502 1071689442 /nfs/dbraw/zinc/68/94/42/1071689442.db2.gz OSOLVSUWGHFJGT-UHFFFAOYSA-N 0 3 477.053 3.690 20 0 JHADHN CCNC(=O)C(C)(C)Cn1c(CSc2ccccc2OC)nnc1N1CCN(C(C)(C)C)CC1 ZINC001313976215 1071707614 /nfs/dbraw/zinc/70/76/14/1071707614.db2.gz CBMIIFMFYPRKGO-UHFFFAOYSA-N 0 3 488.702 3.662 20 0 JHADHN CCNC(=O)C(C)(C)Cn1c(CSc2ccccc2OC)nnc1N1C[C@H](C)N(CC)C[C@@H]1C ZINC001313977383 1071710679 /nfs/dbraw/zinc/71/06/79/1071710679.db2.gz MPYGVLYDARVAEQ-OALUTQOASA-N 0 3 488.702 3.660 20 0 JHADHN CCNC(=O)N1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@H](c2ccsc2)N(C)C)CC1 ZINC001313994332 1071728660 /nfs/dbraw/zinc/72/86/60/1071728660.db2.gz LKXUATOXZZFUET-HXUWFJFHSA-N 0 3 488.061 3.814 20 0 JHADHN CCO[C@@]1(c2nnc(N3CCC(OC(C)C)CC3)n2C[C@H](c2ccc(F)cc2)N(C)C)CCOC1 ZINC001314117182 1072017251 /nfs/dbraw/zinc/01/72/51/1072017251.db2.gz QJPBPLMFYXNHFH-BVAGGSTKSA-N 0 3 489.636 3.766 20 0 JHADHN CCO[C@]1(c2nnc(N3CCN(CC(C)C)CC3)n2CC[C@H](C)c2ccccc2)CCOC1 ZINC001314138693 1072050527 /nfs/dbraw/zinc/05/05/27/1072050527.db2.gz YHEOTXVWKHXFDR-BKMJKUGQSA-N 0 3 455.647 3.902 20 0 JHADHN CCO[C@]1(c2nnc(N3CCN(CC(C)C)CC3)n2C[C@@H](C)Sc2ccccc2)CCOC1 ZINC001314138719 1072051126 /nfs/dbraw/zinc/05/11/26/1072051126.db2.gz YJITUBLTTOQYQR-PXDATVDWSA-N 0 3 473.687 3.889 20 0 JHADHN CCc1ccc(-c2nnc(N3CCC(CN4CCOCC4)CC3)n2CC[S@](=O)C(C)(C)C)cc1 ZINC001305935878 1068237796 /nfs/dbraw/zinc/23/77/96/1068237796.db2.gz ILFYASLKDUUIFD-UMSFTDKQSA-N 0 3 487.714 3.603 20 0 JHADHN CCc1ccc(-c2nnc(N3CC[C@H](N4CCN(C(C)C)CC4)C3)n2CC(F)(F)F)cc1 ZINC001305936292 1068238897 /nfs/dbraw/zinc/23/88/97/1068238897.db2.gz VLDJCRQYPOEVPS-FQEVSTJZSA-N 0 3 450.553 3.675 20 0 JHADHN CCc1ccc(-c2nnc(N3CCN(CC(C)C)CC3)n2CCN(C)CC(F)(F)F)cc1 ZINC001305947412 1068264399 /nfs/dbraw/zinc/26/43/99/1068264399.db2.gz DIWYMNXLSPPPFZ-UHFFFAOYSA-N 0 3 452.569 3.780 20 0 JHADHN CCc1ccc(-c2nnc(N3CCN(C(C)(C)C)CC3)n2CCCNC(=O)C2CCC2)cc1 ZINC001305947979 1068267628 /nfs/dbraw/zinc/26/76/28/1068267628.db2.gz WWJYJCMDUVYJLK-UHFFFAOYSA-N 0 3 452.647 3.734 20 0 JHADHN CCc1cccc2c(CCn3c(C(=O)NC(C)C)nnc3N3CCN(C(C)(C)C)CC3)c[nH]c21 ZINC001305965835 1068299055 /nfs/dbraw/zinc/29/90/55/1068299055.db2.gz CCKCCXQTFMXHKJ-UHFFFAOYSA-N 0 3 465.646 3.623 20 0 JHADHN CCc1ccc(Cn2c(CNC(=O)c3cccs3)nnc2N2C[C@@H](C)N(CC)C[C@H]2C)s1 ZINC001305967537 1068301633 /nfs/dbraw/zinc/30/16/33/1068301633.db2.gz MBTGATJJIQLVMU-IAGOWNOFSA-N 0 3 472.684 3.861 20 0 JHADHN CCc1nc(C)c([C@@H](C)N(C)c2nnc(C(=O)NC(C)C)n2CCN2CCC[C@H](C)C2)s1 ZINC001306005570 1068383446 /nfs/dbraw/zinc/38/34/46/1068383446.db2.gz SYEGIDYIUIWKDQ-FUHWJXTLSA-N 0 3 461.680 3.673 20 0 JHADHN CCc1nc(C)c([C@@H](C)N(C)c2nnc(Cc3ccccn3)n2CCN2CCN(C)C(C)(C)C2)s1 ZINC001306007197 1068387308 /nfs/dbraw/zinc/38/73/08/1068387308.db2.gz PGPDMJHEIKLCDD-HXUWFJFHSA-N 0 3 496.729 3.815 20 0 JHADHN CCc1nc(CN(C)c2nnc(-c3cnn(C)c3)n2C[C@@H](c2cccs2)N(C)C)cs1 ZINC001306028673 1068425753 /nfs/dbraw/zinc/42/57/53/1068425753.db2.gz DPNYNDDPYXDHLZ-KRWDZBQOSA-N 0 3 456.645 3.698 20 0 JHADHN CCc1nc(Cn2c(C(C)C)nnc2N2CCN(CCN(C)Cc3ccccc3)CC2)cs1 ZINC001306033089 1068436255 /nfs/dbraw/zinc/43/62/55/1068436255.db2.gz FRYRHJHQTXUBHI-UHFFFAOYSA-N 0 3 467.687 3.723 20 0 JHADHN CCc1nnc(N2CC[C@H](CN(CC)CC(F)(F)F)C2)n1C[C@H](c1ccc(F)cc1)N(C)C ZINC001306132266 1068535037 /nfs/dbraw/zinc/53/50/37/1068535037.db2.gz CNYSVMMIMIFHAX-YLJYHZDGSA-N 0 3 470.559 3.993 20 0 JHADHN CCc1nnc(N2CCC(NC(=O)NC3CCCCC3)CC2)n1CCN(C)Cc1ccccc1 ZINC001306145189 1068547959 /nfs/dbraw/zinc/54/79/59/1068547959.db2.gz ZNEVUJWDVKBKJQ-UHFFFAOYSA-N 0 3 467.662 3.573 20 0 JHADHN CCc1nnc(N2CCN(C(=O)N3CCCCC3)CC2)n1C[C@@H](c1ccsc1)N(CC)CC ZINC001306187611 1068579039 /nfs/dbraw/zinc/57/90/39/1068579039.db2.gz PLKKPTOMBQGLCR-NRFANRHFSA-N 0 3 473.691 3.713 20 0 JHADHN CCc1nnc(N2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)n1C[C@H](C)CN1CCN(CC)CC1 ZINC001306216841 1068604121 /nfs/dbraw/zinc/60/41/21/1068604121.db2.gz ZVDFLPIIBIWTRI-XMSQKQJNSA-N 0 3 495.499 3.999 20 0 JHADHN CCc1noc(C)c1Cn1c(Cc2c(F)cccc2F)nnc1N1CCN(CC(C)C)CC1 ZINC001306235797 1068629204 /nfs/dbraw/zinc/62/92/04/1068629204.db2.gz KASNZCLNGGGZLG-UHFFFAOYSA-N 0 3 458.557 3.832 20 0 JHADHN CC[C@@H]1C(=O)NCCN1c1nnc(-c2cccc(OC(F)F)c2)n1C[C@H](c1ccsc1)N(C)C ZINC001306249151 1068659548 /nfs/dbraw/zinc/65/95/48/1068659548.db2.gz UIGPLJKAZREZIQ-RTBURBONSA-N 0 3 490.580 3.626 20 0 JHADHN CC[C@H]1C(=O)NCCN1c1nnc(COc2ccc(Cl)cc2)n1C[C@H](c1cccs1)N(C)C ZINC001306259323 1068667489 /nfs/dbraw/zinc/66/74/89/1068667489.db2.gz FFDHRERXDNYJLA-RBUKOAKNSA-N 0 3 489.045 3.590 20 0 JHADHN CC[C@H]1CCCN(c2nnc(COc3ccc(F)cc3)n2C[C@@H](C)N2CCN(CC)CC2)C1 ZINC001306343197 1068778945 /nfs/dbraw/zinc/77/89/45/1068778945.db2.gz QTNORHCTBSOWAV-RTWAWAEBSA-N 0 3 458.626 3.649 20 0 JHADHN CC[C@@H]1CCCN1c1nnc(COc2cc(C)ccc2C)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001306355232 1068790025 /nfs/dbraw/zinc/79/00/25/1068790025.db2.gz DUVICVXDUBONJS-DHIUTWEWSA-N 0 3 482.673 3.795 20 0 JHADHN COc1ccc([C@H](NC(C)C)C(=O)N2CCC(C(=O)NCc3ccc(C)c(F)c3)CC2)cc1 ZINC001306366076 1068801559 /nfs/dbraw/zinc/80/15/59/1068801559.db2.gz JZUHKTRIGQDGGF-DEOSSOPVSA-N 0 3 455.574 3.737 20 0 JHADHN CC[C@@H]1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@H](C)N2CCN(CC)CC2)C1 ZINC001306383926 1068816398 /nfs/dbraw/zinc/81/63/98/1068816398.db2.gz SACVADVIOXSYAL-XZOQPEGZSA-N 0 3 454.663 3.736 20 0 JHADHN CC[C@H]1CN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H](C)N2CCC(C)CC2)CCO1 ZINC001306394546 1068837012 /nfs/dbraw/zinc/83/70/12/1068837012.db2.gz YAJNSLWDMCIKOM-GGAORHGYSA-N 0 3 468.646 3.883 20 0 JHADHN CC[C@@H]1CN(c2nnc([C@@H](C)OCCOC)n2CC2(N3CCSCC3)CCCC2)CCS1 ZINC001306397129 1068846597 /nfs/dbraw/zinc/84/65/97/1068846597.db2.gz AUEUYLYJUACJJH-WOJBJXKFSA-N 0 3 483.748 3.696 20 0 JHADHN CC[C@@H]1CN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCN2CCN(C)C(C)(C)C2)C[C@H](C)O1 ZINC001306397263 1068847531 /nfs/dbraw/zinc/84/75/31/1068847531.db2.gz YPWMFOTVZZLSBI-PWRODBHTSA-N 0 3 488.652 3.587 20 0 JHADHN CC[C@@H]1CN(c2nnc(Cn3nc(C)cc3C)n2C[C@H](c2cccc(F)c2)N(C)C)CCS1 ZINC001306454289 1068976079 /nfs/dbraw/zinc/97/60/79/1068976079.db2.gz YYTIMJUCZZSSEL-FGZHOGPDSA-N 0 3 471.650 3.914 20 0 JHADHN CC[C@H]1CN(c2nnc(Cn3nc(C)cc3C)n2C[C@H](c2cccc(F)c2)N(C)C)CCS1 ZINC001306454288 1068976178 /nfs/dbraw/zinc/97/61/78/1068976178.db2.gz YYTIMJUCZZSSEL-FCHUYYIVSA-N 0 3 471.650 3.914 20 0 JHADHN CC[C@H]1CN(c2nnc(COc3ccccc3F)n2C[C@@H](C)CN2CCN(CC)CC2)CCS1 ZINC001306458716 1068991170 /nfs/dbraw/zinc/99/11/70/1068991170.db2.gz QPSSOUGGEQIPIM-SFTDATJTSA-N 0 3 490.693 3.602 20 0 JHADHN Cc1cc(NC(=O)c2cccc(Cl)c2)ccc1NC(=O)NC[C@@H](C)CN1CCN(C)CC1 ZINC001310514845 1068995113 /nfs/dbraw/zinc/99/51/13/1068995113.db2.gz GVARFFYWGSNETK-QGZVFWFLSA-N 0 3 458.006 3.906 20 0 JHADHN CC/C=C/Cn1c(-c2ccc(Cl)cc2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 ZINC001306464965 1069001849 /nfs/dbraw/zinc/00/18/49/1069001849.db2.gz NUUSRLILQIHGKJ-FDTLDTTQSA-N 0 3 471.049 3.944 20 0 JHADHN CC(=O)N1CCN(c2cccc(NC(=O)N(CCN(C)C)Cc3cccc(Cl)c3)c2)CC1 ZINC001310565595 1069020890 /nfs/dbraw/zinc/02/08/90/1069020890.db2.gz PUEWCRIQGRJGNI-UHFFFAOYSA-N 0 3 458.006 3.604 20 0 JHADHN CC/C=C\Cn1c(COc2ccccc2OCC)nnc1N1CCN(C2CCOCC2)CC1 ZINC001306489885 1069028590 /nfs/dbraw/zinc/02/85/90/1069028590.db2.gz PRQKEMSDWDWWLZ-YVMONPNESA-N 0 3 455.603 3.523 20 0 JHADHN CCOc1ccc(CN2CCN(C(=O)Nc3cccc(N4CCN(CC)CC4)c3)CC2)cc1 ZINC001310595712 1069039485 /nfs/dbraw/zinc/03/94/85/1069039485.db2.gz AMDHFLKBLBLFSS-UHFFFAOYSA-N 0 3 451.615 3.577 20 0 JHADHN C[C@H](CNC(=O)Nc1ccc(Oc2ncc(Cl)cn2)c(Cl)c1)CN1CCN(C)CC1 ZINC001310651828 1069086084 /nfs/dbraw/zinc/08/60/84/1069086084.db2.gz WLUZUCLSJAOJMK-CQSZACIVSA-N 0 3 453.374 3.581 20 0 JHADHN CCCC(=O)NC[C@H]1CCCN(c2nnc(C3CCC3)n2C[C@@H](c2ccccc2)N(C)C)C1 ZINC001306517750 1069129028 /nfs/dbraw/zinc/12/90/28/1069129028.db2.gz BPETWYBZQJLJQW-OFNKIYASSA-N 0 3 452.647 3.981 20 0 JHADHN CCC[C@](C)(O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC001306527080 1069157299 /nfs/dbraw/zinc/15/72/99/1069157299.db2.gz CZVLEUWTWCXGGW-DHLKQENFSA-N 0 3 475.081 3.754 20 0 JHADHN COc1ccc([N-]S(=O)(=O)c2ccc(C)c(NC(=O)N3CCC[N@@H+]4CCC[C@@H]4C3)c2)cc1 ZINC001310797897 1069167040 /nfs/dbraw/zinc/16/70/40/1069167040.db2.gz RRSFWSCKWMDOPB-LJQANCHMSA-N 0 3 458.584 3.506 20 0 JHADHN COc1ccc([N-]S(=O)(=O)c2ccc(C)c(NC(=O)N3CCC[N@H+]4CCC[C@@H]4C3)c2)cc1 ZINC001310797897 1069167046 /nfs/dbraw/zinc/16/70/46/1069167046.db2.gz RRSFWSCKWMDOPB-LJQANCHMSA-N 0 3 458.584 3.506 20 0 JHADHN CCC[C@](C)(O)Cn1c(-c2ccccc2Cl)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC001306533952 1069176782 /nfs/dbraw/zinc/17/67/82/1069176782.db2.gz XJNRDBJCPZEUSW-CPJSRVTESA-N 0 3 475.081 3.754 20 0 JHADHN CCC[C@@](C)(O)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCN(CCC(C)(C)C)CC1 ZINC001306542330 1069192332 /nfs/dbraw/zinc/19/23/32/1069192332.db2.gz LOZYCISYHOKYQR-AREMUKBSSA-N 0 3 467.662 3.626 20 0 JHADHN CN(C(=O)Nc1ccc(S(=O)(=O)NC(C)(C)C)cc1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001310866528 1069199454 /nfs/dbraw/zinc/19/94/54/1069199454.db2.gz WMETVEZWQRNDOZ-NRFANRHFSA-N 0 3 458.628 3.892 20 0 JHADHN CCCC1(Cn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N2C[C@@H](C)N(CC)C[C@H]2C)CC1 ZINC001306598202 1069274009 /nfs/dbraw/zinc/27/40/09/1069274009.db2.gz DDTAHKOWLRGGQW-WOJBJXKFSA-N 0 3 488.702 3.695 20 0 JHADHN CCC[C@@H]1CN(c2nnc(-c3cccc(Cl)c3)n2Cc2cc(C)on2)CCN1CCOC ZINC001306616469 1069298441 /nfs/dbraw/zinc/29/84/41/1069298441.db2.gz GWNBTAFOGCXZQE-OAQYLSRUSA-N 0 3 458.994 3.880 20 0 JHADHN CCC[C@H]1CN(c2nnc(-c3cccc(Cl)c3)n2CCNC(=O)C(C)(C)C)CCN1CCOC ZINC001306616908 1069298737 /nfs/dbraw/zinc/29/87/37/1069298737.db2.gz KDXDOHKELUDTBX-NRFANRHFSA-N 0 3 491.080 3.698 20 0 JHADHN CCC[C@H]1CN(c2nnc(C)n2CCc2ccc(OC)c(Br)c2)CCN1CCOC ZINC001306619160 1069302862 /nfs/dbraw/zinc/30/28/62/1069302862.db2.gz YBBRJJKSDIYNSR-IBGZPJMESA-N 0 3 480.451 3.537 20 0 JHADHN CCC[C@@H]1CN(c2nnc(-c3ccc(CC)cc3)n2C[C@H](C)N2CCN(CC)CC2)CCO1 ZINC001306620608 1069307641 /nfs/dbraw/zinc/30/76/41/1069307641.db2.gz QVTRCLPZQSCKII-XUZZJYLKSA-N 0 3 454.663 3.539 20 0 JHADHN CCC[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3OC)n2Cc2cc(C)no2)CCN1CCOC ZINC001306621292 1069309694 /nfs/dbraw/zinc/30/96/94/1069309694.db2.gz ABCVTWGJPQRZQA-LJQANCHMSA-N 0 3 489.020 3.889 20 0 JHADHN O=C1OC2(CCN(Cc3ccccc3)CC2)c2cnc(Cl)c(N3C[C@@H]4OCC(F)(F)[C@@H]4C3)c21 ZINC001164426280 718926968 /nfs/dbraw/zinc/92/69/68/718926968.db2.gz ZCYTWPMTXYYWKN-MSOLQXFVSA-N 0 3 475.923 3.867 20 0 JHADHN O=C1OC2(CCN(Cc3ccccc3)CC2)c2cnc(Cl)c(N3C[C@@H]4OCC(F)(F)[C@H]4C3)c21 ZINC001164426282 718927710 /nfs/dbraw/zinc/92/77/10/718927710.db2.gz ZCYTWPMTXYYWKN-ROUUACIJSA-N 0 3 475.923 3.867 20 0 JHADHN CCOC(=O)c1cnc(Cl)nc1C(F)(F)N1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC001164625377 719056352 /nfs/dbraw/zinc/05/63/52/719056352.db2.gz PJMYLCKKZVNORT-FUHWJXTLSA-N 0 3 450.917 3.952 20 0 JHADHN O=C(Nc1nncs1)c1cnc(N2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)c(Cl)c1 ZINC001164630928 719101888 /nfs/dbraw/zinc/10/18/88/719101888.db2.gz XRFIJYASHLAIJT-VQIMIIECSA-N 0 3 454.987 3.940 20 0 JHADHN C[C@H]1CN(c2c3c(cnc2Cl)C2(CCN(Cc4ccccc4)CC2)OC3=O)[C@@H](C)CN1C ZINC001164643613 719228528 /nfs/dbraw/zinc/22/85/28/719228528.db2.gz ZPIZVBDQRPLMTG-ROUUACIJSA-N 0 3 455.002 3.926 20 0 JHADHN O=C(Nc1ccc(Cl)nc1)OCC(F)(F)N1CCCn2cnc(CNC3CCC3)c2C1 ZINC001164844444 720740454 /nfs/dbraw/zinc/74/04/54/720740454.db2.gz SHKPUMAKFGCYRD-UHFFFAOYSA-N 0 3 454.909 3.621 20 0 JHADHN CN(C)Cc1nc2scc(-c3ccccc3)c2c(N2CCN3C[C@H](Oc4cncnc4)C[C@H]3C2)n1 ZINC001164743524 720792342 /nfs/dbraw/zinc/79/23/42/720792342.db2.gz GMRULSXZENHWRJ-VQTJNVASSA-N 0 3 487.633 3.552 20 0 JHADHN c1csc(-c2noc(-c3ccnc(N4CCN5C[C@@H](OCc6cccnc6)C[C@@H]5C4)c3)n2)c1 ZINC001164881200 721168117 /nfs/dbraw/zinc/16/81/17/721168117.db2.gz ZUPQVORAJKDBGA-UXHICEINSA-N 0 3 460.563 3.735 20 0 JHADHN CCN(CC)Cc1nc2sc(C)c(C)c2c(N2C[C@@H]3CCN(Cc4cnn(C)c4)C[C@H]3C2)n1 ZINC001164768737 721201281 /nfs/dbraw/zinc/20/12/81/721201281.db2.gz LQFPCHHNGXQUBH-SFTDATJTSA-N 0 3 467.687 3.842 20 0 JHADHN Cn1cc(CN2CC[C@@H]3CN(c4nc(-c5cnccn5)nc5sc6c(c54)CCCC6)C[C@H]3C2)cn1 ZINC001164768463 721223648 /nfs/dbraw/zinc/22/36/48/721223648.db2.gz LBAZBXVWUBWKLL-RTBURBONSA-N 0 3 486.649 3.719 20 0 JHADHN Cn1cc(CN2CC[C@@H]3CN(c4ncnc5cc(OCc6ccccc6)ccc54)C[C@H]3C2)cn1 ZINC001164769776 721236916 /nfs/dbraw/zinc/23/69/16/721236916.db2.gz ZPQXHSBHFYBBOY-DHIUTWEWSA-N 0 3 454.578 3.901 20 0 JHADHN CN1CCN(C[C@@H]2CCC[C@@]3(CCN(c4ncnc5[nH]c6ccc(Cl)cc6c54)C3)O2)CC1 ZINC001164895391 721429886 /nfs/dbraw/zinc/42/98/86/721429886.db2.gz OHCZLRAASCWGBW-UUOWRZLLSA-N 0 3 455.006 3.530 20 0 JHADHN COC(=O)c1ccc2c(c1)nc(Cl)nc2N1CCN2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164903011 721534565 /nfs/dbraw/zinc/53/45/65/721534565.db2.gz BUPHUAOHLFCKLC-SJLPKXTDSA-N 0 3 456.905 3.551 20 0 JHADHN COc1ccc(-c2ccc(N3CCN4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)nn2)c(OC)c1 ZINC001164911086 721559389 /nfs/dbraw/zinc/55/93/89/721559389.db2.gz YHRIVFIIUJRBMO-NQIIRXRSSA-N 0 3 450.514 3.642 20 0 JHADHN COC(=O)/C=C/c1cc2cc[nH]c2c(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)n1 ZINC001164907658 721717701 /nfs/dbraw/zinc/71/77/01/721717701.db2.gz SHTXQITYMALAID-ZFTMLNQLSA-N 0 3 467.520 3.882 20 0 JHADHN CC(C)C(=O)N[C@@H]1[C@H]2CN(c3c4c(cnc3Cl)C3(CCN(Cc5ccccc5)CC3)OC4=O)C[C@H]21 ZINC001164959430 722039509 /nfs/dbraw/zinc/03/95/09/722039509.db2.gz IDTJYUPHSOIWCZ-NGRWLJPCSA-N 0 3 495.023 3.604 20 0 JHADHN FC(F)(c1ccc2c(Cl)ncnc2c1)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164982767 722105380 /nfs/dbraw/zinc/10/53/80/722105380.db2.gz OVOVISCJTPIRQO-UTKZUKDTSA-N 0 3 459.928 3.950 20 0 JHADHN O=C(NCc1ccccc1)c1cc(Cl)nc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164986449 722106153 /nfs/dbraw/zinc/10/61/53/722106153.db2.gz ZBAIBAZEHWVAKY-LADGPHEKSA-N 0 3 492.023 3.787 20 0 JHADHN FC(F)(c1ccc2ncc(Cl)nc2c1)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164976409 722106285 /nfs/dbraw/zinc/10/62/85/722106285.db2.gz CUWHXCJXECEILL-UTKZUKDTSA-N 0 3 459.928 3.950 20 0 JHADHN CCC[C@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CC2(OC)CCCC2)CCN1CCOC ZINC001306622784 1069313056 /nfs/dbraw/zinc/31/30/56/1069313056.db2.gz NQAJGDGYBJFWCL-FQEVSTJZSA-N 0 3 477.053 3.890 20 0 JHADHN CCC[C@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2C[C@]2(O)CCCC2(C)C)CCN1CCOC ZINC001306623382 1069314838 /nfs/dbraw/zinc/31/48/38/1069314838.db2.gz RSRALUTVROPTLA-NBGIEHNGSA-N 0 3 491.080 3.872 20 0 JHADHN COCC(=O)N1CCCc2ccc(NC(=O)N[C@@H](CN(C)Cc3ccccc3)C(C)C)cc21 ZINC001311291921 1069318151 /nfs/dbraw/zinc/31/81/51/1069318151.db2.gz ODKJBXOANJRLLZ-QHCPKHFHSA-N 0 3 452.599 3.890 20 0 JHADHN CCC[C@@H]1CN(c2nnc(C3CCCC3)n2Cc2nccn2C(F)F)CCN1CCOC ZINC001306625830 1069320029 /nfs/dbraw/zinc/32/00/29/1069320029.db2.gz UJHBFMXATDJANI-GOSISDBHSA-N 0 3 451.566 3.513 20 0 JHADHN COc1ccc([C@H](CNC(=O)N[C@@H]2CCN(c3ccccc3Cl)C2=O)N2CCCC2)cc1 ZINC001311343272 1069330446 /nfs/dbraw/zinc/33/04/46/1069330446.db2.gz CREMUIAJECQQEE-IRLDBZIGSA-N 0 3 456.974 3.590 20 0 JHADHN COc1ccc([C@H](CNC(=O)N[C@H](CO)c2ccccc2C(F)(F)F)N2CCCC2)cc1 ZINC001311346524 1069332790 /nfs/dbraw/zinc/33/27/90/1069332790.db2.gz QCHYRVQQXASQOB-RTWAWAEBSA-N 0 3 451.489 3.884 20 0 JHADHN CC[C@H](CNC(=O)N[C@]12CCC[C@H]1CN(C(=O)OC(C)(C)C)C2)N1CCc2ccccc2C1 ZINC001311395404 1069360355 /nfs/dbraw/zinc/36/03/55/1069360355.db2.gz JSNITESPOASRPO-VRUMLPLGSA-N 0 3 456.631 3.912 20 0 JHADHN CCCCCn1c(CCc2ccccc2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 ZINC001306654242 1069365732 /nfs/dbraw/zinc/36/57/32/1069365732.db2.gz HMXPESLSWJXCPI-WIOPSUGQSA-N 0 3 466.674 3.632 20 0 JHADHN CC1(C)C[C@H](NC(=O)NCCCN2CCN(Cc3ccccc3)CC2)c2ccc(F)cc2O1 ZINC001311421927 1069369021 /nfs/dbraw/zinc/36/90/21/1069369021.db2.gz GFXRMXBQOIVFTE-QHCPKHFHSA-N 0 3 454.590 3.935 20 0 JHADHN CCCCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1CCN(C)Cc1ccccc1 ZINC001306675002 1069399433 /nfs/dbraw/zinc/39/94/33/1069399433.db2.gz NVGTXEOKXOALGV-QFIPXVFZSA-N 0 3 486.661 3.955 20 0 JHADHN C[C@H](NC(=O)NCc1ccc(CN2CCN(C)CC2)cc1)c1ccc(OCC2CC2)c(F)c1 ZINC001311495353 1069404946 /nfs/dbraw/zinc/40/49/46/1069404946.db2.gz IZABQRPHBUPDLX-IBGZPJMESA-N 0 3 454.590 3.922 20 0 JHADHN CC(C)C[C@H](C)Oc1cc(CNC(=O)NCc2ccc(CN3CCN(C)CC3)cc2)ccn1 ZINC001311497433 1069407118 /nfs/dbraw/zinc/40/71/18/1069407118.db2.gz QADQJIGYLRYSAP-NRFANRHFSA-N 0 3 453.631 3.642 20 0 JHADHN CC(=O)Nc1ccc(CN2CCC(NC(=O)NCCc3ccc(OC(C)C)cc3)CC2)cc1 ZINC001311507705 1069414041 /nfs/dbraw/zinc/41/40/41/1069414041.db2.gz JTRAAFNVWRBKLF-UHFFFAOYSA-N 0 3 452.599 3.939 20 0 JHADHN CCCCN(CC)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1C[C@H](C)C[C@H](C)C1 ZINC001306694605 1069431349 /nfs/dbraw/zinc/43/13/49/1069431349.db2.gz JMDCHQNTFNOFDQ-ZCNNSNEGSA-N 0 3 453.697 3.563 20 0 JHADHN CCCCn1c(-c2cc(F)ccc2Br)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001306703481 1069439223 /nfs/dbraw/zinc/43/92/23/1069439223.db2.gz RVKDREAHBMUEGL-INIZCTEOSA-N 0 3 466.399 3.805 20 0 JHADHN CCCCn1c(-c2nn(CCC)c(=O)c3ccccc32)nnc1N1CCN(C(C)(C)C)CC1 ZINC001306705569 1069440787 /nfs/dbraw/zinc/44/07/87/1069440787.db2.gz DUMROJHWVGHSJE-UHFFFAOYSA-N 0 3 451.619 3.786 20 0 JHADHN COc1cccc([C@H](CNC(=O)N[C@@H]2C[C@H](OC(C)(C)C)[C@H]2n2cccn2)N2CCCC2)c1 ZINC001311581445 1069448955 /nfs/dbraw/zinc/44/89/55/1069448955.db2.gz QOVDJZZTIKDPRM-LDVJMBRRSA-N 0 3 455.603 3.525 20 0 JHADHN COc1cccc([C@@H](CNC(=O)NCc2ccc(C)cc2O[C@H]2CCOC2)N2CCCC2)c1 ZINC001311582871 1069449413 /nfs/dbraw/zinc/44/94/13/1069449413.db2.gz ZJOQQRQHVNUEFZ-BJKOFHAPSA-N 0 3 453.583 3.808 20 0 JHADHN CCCCN1CCCC[C@@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 ZINC001306721828 1069459120 /nfs/dbraw/zinc/45/91/20/1069459120.db2.gz FMKSLOJXAKFGAH-UXHICEINSA-N 0 3 495.093 3.662 20 0 JHADHN CC[C@@H](NC(=O)N1CCN(C2CCC(C(C)C)CC2)CC1)c1ccccc1OCC(=O)NC ZINC001311611691 1069463482 /nfs/dbraw/zinc/46/34/82/1069463482.db2.gz LRKYGZSZCZNMTB-YDPRHXJPSA-N 0 3 458.647 3.805 20 0 JHADHN CC[C@H]1CN(C(=O)NCc2cccc(CN3CCO[C@H](C)C3)c2)CCN1Cc1ccccc1 ZINC001311667309 1069495728 /nfs/dbraw/zinc/49/57/28/1069495728.db2.gz SAGRVACQBIMPLP-GJZUVCINSA-N 0 3 450.627 3.713 20 0 JHADHN CCCCNC(=O)[C@H]1CC[C@H](C)N(c2nnc(-c3ccccc3OC)n2CCN2CC=CCC2)C1 ZINC001306738426 1069509519 /nfs/dbraw/zinc/50/95/19/1069509519.db2.gz ZTCRCNRVQNBYSO-VXKWHMMOSA-N 0 3 480.657 3.737 20 0 JHADHN CCN(C(=O)N[C@H](CCSC)c1nnc2ccccn21)[C@H]1CCN(Cc2ccccc2)C1 ZINC001311716055 1069516627 /nfs/dbraw/zinc/51/66/27/1069516627.db2.gz WKJWZDCVRZZWIT-LEWJYISDSA-N 0 3 452.628 3.830 20 0 JHADHN C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)NC[C@H](c1cccc(F)c1)N1CCOCC1 ZINC001311760442 1069535939 /nfs/dbraw/zinc/53/59/39/1069535939.db2.gz COFSTDVUBQVWGK-PXDATVDWSA-N 0 3 454.590 3.505 20 0 JHADHN O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC001311767059 1069539246 /nfs/dbraw/zinc/53/92/46/1069539246.db2.gz XSGIOWBERCKNMY-HXUWFJFHSA-N 0 3 454.537 3.663 20 0 JHADHN CCCCOc1ccc(-c2nnc(N3C[C@H](C)N(CC)C[C@H]3C)n2CC2(O)CC2)cc1OC ZINC001306748756 1069539311 /nfs/dbraw/zinc/53/93/11/1069539311.db2.gz LYCJGBFBGMTINJ-RBUKOAKNSA-N 0 3 457.619 3.576 20 0 JHADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1CCC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC001311804964 1069552739 /nfs/dbraw/zinc/55/27/39/1069552739.db2.gz MRHBHSZHKUHODH-ICSRJNTNSA-N 0 3 454.537 3.537 20 0 JHADHN Cc1cnn([C@@H]2CCN(Cc3ccccc3)C2)c1NC(=O)c1cc[nH]c(=O)c1Br ZINC001306772193 1069570360 /nfs/dbraw/zinc/57/03/60/1069570360.db2.gz QQBLZCDUFVOLED-MRXNPFEDSA-N 0 3 456.344 3.754 20 0 JHADHN COCCN(C)CCOc1cccc(CNC(=O)N[C@@H]2[C@H]3Cc4cc(Br)ccc4[C@@H]23)c1 ZINC001311849195 1069578120 /nfs/dbraw/zinc/57/81/20/1069578120.db2.gz SZZXMWBTOJPMOE-YTFSRNRJSA-N 0 3 488.426 3.544 20 0 JHADHN Cc1ccc(CN2CC[C@H](NC(=O)N[C@@H]3CCN(c4ccc(Br)cc4)C3)C2)cc1 ZINC001311883804 1069595453 /nfs/dbraw/zinc/59/54/53/1069595453.db2.gz GDIWZUJUCMYQGX-LEWJYISDSA-N 0 3 457.416 3.910 20 0 JHADHN CCCN(Cc1ccc(F)cc1F)c1nnc(C(=O)Nc2ccccn2)n1C[C@H](C)N(C)C ZINC001306810876 1069630489 /nfs/dbraw/zinc/63/04/89/1069630489.db2.gz IRTMREZSZMCYFW-INIZCTEOSA-N 0 3 457.529 3.570 20 0 JHADHN CCOc1cc(Cn2c(-c3cnccn3)nnc2N2CCN(C(C)(C)C)CC2)ccc1OC(F)F ZINC001314162754 1069652913 /nfs/dbraw/zinc/65/29/13/1069652913.db2.gz DSESMUZUEQMFPX-UHFFFAOYSA-N 0 3 487.555 3.704 20 0 JHADHN CCOc1ccc(-c2nnc(N3C[C@@H](C)N(CC)C[C@@H]3C)n2CC2(O)CCCCC2)cc1OC ZINC001314168645 1069673273 /nfs/dbraw/zinc/67/32/73/1069673273.db2.gz QVJHJWGYCQVMPE-UXHICEINSA-N 0 3 471.646 3.967 20 0 JHADHN CCOc1ccc(-c2nnc(N3CCN(CC(C)C)CC3)n2C[C@@H]2CCCOC2)cc1OC ZINC001314176489 1069706928 /nfs/dbraw/zinc/70/69/28/1069706928.db2.gz LTXZWJLMRXTFPC-FQEVSTJZSA-N 0 3 457.619 3.557 20 0 JHADHN COc1ccc([C@H](NC(=O)N2CC[C@H]3[C@H]2CCCN3CCO)c2ccccc2Cl)c(C)c1 ZINC001312091708 1069715994 /nfs/dbraw/zinc/71/59/94/1069715994.db2.gz YUAJQKWEXYLBEV-VXNXHJTFSA-N 0 3 458.002 3.987 20 0 JHADHN CCOc1ccc(-c2nnc(N3CCS[C@H](C)[C@H]3C)n2CCN2CC=CCC2)cc1OC ZINC001314179247 1069718206 /nfs/dbraw/zinc/71/82/06/1069718206.db2.gz UFIOERKZGRWCOO-RTBURBONSA-N 0 3 457.644 3.945 20 0 JHADHN CCCN(CCn1c(Cc2cccnc2)nnc1N1C[C@H](C)N(CC)C[C@H]1C)C(=O)OC(C)(C)C ZINC001307013861 1069718810 /nfs/dbraw/zinc/71/88/10/1069718810.db2.gz RDMVKGRCXSCRRM-LEWJYISDSA-N 0 3 485.677 3.830 20 0 JHADHN CCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001307030219 1069737920 /nfs/dbraw/zinc/73/79/20/1069737920.db2.gz IHYSDQXTIKTMGN-INIZCTEOSA-N 0 3 454.402 3.732 20 0 JHADHN C[C@@H](NC(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1)c1nc(-c2cccc(F)c2)no1 ZINC001312154299 1069753479 /nfs/dbraw/zinc/75/34/79/1069753479.db2.gz WSHRAOAYKMHMQX-UTKZUKDTSA-N 0 3 453.518 3.527 20 0 JHADHN COc1cccc(C(NC(=O)NC(C)(C)CCN2CCN(C)CC2)c2cccc(OC)c2)c1 ZINC001312167756 1069762032 /nfs/dbraw/zinc/76/20/32/1069762032.db2.gz LQYKWDJHJNGCFD-UHFFFAOYSA-N 0 3 454.615 3.509 20 0 JHADHN CC(C)C[C@@H](CNC(=O)OC(C)(C)C)NC(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1 ZINC001312178650 1069768481 /nfs/dbraw/zinc/76/84/81/1069768481.db2.gz NOZYPGQHAVGVKC-SFHVURJKSA-N 0 3 456.578 3.977 20 0 JHADHN CC1(C)[C@H](NC(=O)NCc2ccccc2CN2CCC(O)CC2)C[C@@H]1OCc1ccccc1 ZINC001312205290 1069780716 /nfs/dbraw/zinc/78/07/16/1069780716.db2.gz KZKJSUYHWZDVFY-RPBOFIJWSA-N 0 3 451.611 3.826 20 0 JHADHN O=C(NCc1ccccc1CN1CCC(O)CC1)N1CCC(CCc2ccc(O)cc2)CC1 ZINC001312205766 1069781510 /nfs/dbraw/zinc/78/15/10/1069781510.db2.gz NCFJUSQRJMZFTQ-UHFFFAOYSA-N 0 3 451.611 3.903 20 0 JHADHN CCOc1cccc(CCn2c(N3CCC(CN4CCOCC4)CC3)nnc2C(C)(C)C)c1 ZINC001314207058 1069818947 /nfs/dbraw/zinc/81/89/47/1069818947.db2.gz WYNKMFIIPNIWCZ-UHFFFAOYSA-N 0 3 455.647 3.766 20 0 JHADHN CCOc1cccc(Cn2c(CC(C)(C)C)nnc2N2CC[C@@H](N3CCN(CC)CC3)C2)c1 ZINC001314208413 1069824823 /nfs/dbraw/zinc/82/48/23/1069824823.db2.gz BMUMWPCWXXJEMV-JOCHJYFZSA-N 0 3 454.663 3.530 20 0 JHADHN COc1ccccc1N1CC[C@H](NC(=O)NC[C@H](c2ccc(CC(C)C)cc2)N(C)C)C1=O ZINC001312280205 1069834086 /nfs/dbraw/zinc/83/40/86/1069834086.db2.gz QKTKYUVTLNVPFU-JTHBVZDNSA-N 0 3 452.599 3.601 20 0 JHADHN CCOc1ccccc1OCc1nnc(N2C[C@@H](C)N(CC)C[C@H]2C)n1CC1=CCCOC1 ZINC001314218589 1069859242 /nfs/dbraw/zinc/85/92/42/1069859242.db2.gz UUJPXJGHJGPRFM-WOJBJXKFSA-N 0 3 455.603 3.521 20 0 JHADHN CCOc1ccccc1OCc1nnc(N2CCC(C)=C(C)C2)n1CCN1CCN(C)C(C)(C)C1 ZINC001314222219 1069875463 /nfs/dbraw/zinc/87/54/63/1069875463.db2.gz ISMZOWDJRMWQRM-UHFFFAOYSA-N 0 3 482.673 3.828 20 0 JHADHN COC(=O)c1sc2nc(C)nc(N3CCCN(Cc4ccccc4)CCOCC3)c2c1C ZINC001307217649 1069907866 /nfs/dbraw/zinc/90/78/66/1069907866.db2.gz QUIZZAZFTJCGOB-UHFFFAOYSA-N 0 3 454.596 3.824 20 0 JHADHN CCOc1ccnc(N2CCCN(c3nnc(CC(C)C)n3C[C@@H](c3cccs3)N(C)C)CC2)n1 ZINC001314229720 1069913393 /nfs/dbraw/zinc/91/33/93/1069913393.db2.gz ZUXOZZHPETYQIG-FQEVSTJZSA-N 0 3 498.701 3.746 20 0 JHADHN CN(C(=O)N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001312440965 1069939187 /nfs/dbraw/zinc/93/91/87/1069939187.db2.gz BIELRHDHHXRWSG-DENIHFKCSA-N 0 3 458.965 3.890 20 0 JHADHN CC(C)Oc1cccc(-c2nnc(SC[C@@H]3CN(Cc4ccccc4)CCCO3)n2N)c1 ZINC001307315137 1069942473 /nfs/dbraw/zinc/94/24/73/1069942473.db2.gz JDPBWBOMXOEBRE-QFIPXVFZSA-N 0 3 453.612 3.829 20 0 JHADHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1C[C@]2(C)CN(C(=O)OC(C)(C)C)C[C@]2(C)C1 ZINC001312456362 1069950555 /nfs/dbraw/zinc/95/05/55/1069950555.db2.gz OMNLIKKXMIRMNV-CZOQGKOKSA-N 0 3 456.631 3.795 20 0 JHADHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1CCCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC001312457785 1069951516 /nfs/dbraw/zinc/95/15/16/1069951516.db2.gz VPDZCKUVEYOYAK-XXBNENTESA-N 0 3 455.002 3.718 20 0 JHADHN O=C(NC[C@@H]1CN(Cc2ccccc2)CCCO1)N1CCC([C@H](O)c2ccc(F)cc2)CC1 ZINC001312501735 1069977466 /nfs/dbraw/zinc/97/74/66/1069977466.db2.gz YHVZQTOXPMLLED-JWQCQUIFSA-N 0 3 455.574 3.572 20 0 JHADHN CN(CCC(=O)Nc1ccc(C(N)=O)c(Cl)c1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC001307425809 1069978654 /nfs/dbraw/zinc/97/86/54/1069978654.db2.gz PADTVTROSFGMTE-PKOBYXMFSA-N 0 3 456.757 3.664 20 0 JHADHN CCO[C@@H]1C[C@@H](N(C)c2nnc(C3CCCC3)n2CCCN2CCC[C@H]2C(=O)N(C)C)C1(C)C ZINC001314256042 1069991277 /nfs/dbraw/zinc/99/12/77/1069991277.db2.gz WWNSESFSUZKBPX-BHDDXSALSA-N 0 3 474.694 3.518 20 0 JHADHN CCOc1ccc(/C=C2/SC(=O)N(CCNC(=O)CN3CCC[C@@H]4CCC[C@@H]43)C2=O)cc1 ZINC001307480963 1070008792 /nfs/dbraw/zinc/00/87/92/1070008792.db2.gz WYXRIHLEBXKBDH-DHNSVNLKSA-N 0 3 457.596 3.502 20 0 JHADHN CCOC(=O)N1CCC([C@@H](C)NC(=O)NCCNC(c2ccccc2)c2ccccc2)CC1 ZINC001312564219 1070016883 /nfs/dbraw/zinc/01/68/83/1070016883.db2.gz JMVQWWRIEMTIMR-HXUWFJFHSA-N 0 3 452.599 3.922 20 0 JHADHN 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COc1ccccc1C(=O)c1c(NC(=O)CN[C@H]2CCC[C@H]2CCO)sc2c1CCCC2 ZINC001307684655 1070124704 /nfs/dbraw/zinc/12/47/04/1070124704.db2.gz UDNCGAKAQQNGNL-LPHOPBHVSA-N 0 3 456.608 3.946 20 0 JHADHN COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)CN(C)[C@@H]1CCCC[C@H]1C ZINC001307682404 1070123888 /nfs/dbraw/zinc/12/38/88/1070123888.db2.gz CXWXQJRYAIOSAR-WIYYLYMNSA-N 0 3 451.633 3.709 20 0 JHADHN CC(C)(C)OC(=O)N[C@@H]1CN(CCC(=O)Nc2ccc3c(c2)OCO3)C[C@H]1c1ccccc1 ZINC001307723570 1070147701 /nfs/dbraw/zinc/14/77/01/1070147701.db2.gz GHMTWALFIYODKH-VQTJNVASSA-N 0 3 453.539 3.737 20 0 JHADHN CCS[C@@H]1CCC[C@@H]1NCC(=O)Nc1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1 ZINC001307752964 1070167674 /nfs/dbraw/zinc/16/76/74/1070167674.db2.gz CPOCNGDNGSWSHW-LEWJYISDSA-N 0 3 453.674 3.842 20 0 JHADHN CCOCc1nnc(N2CCc3c(cc[nH]c3=O)C2)n1C[C@H](c1ccsc1)N(CC)CC ZINC001314354006 1070174803 /nfs/dbraw/zinc/17/48/03/1070174803.db2.gz CNCBDDLGPXZSKX-HXUWFJFHSA-N 0 3 456.616 3.623 20 0 JHADHN 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Cc1ccc2c(c1)[C@@H](NC(=O)N1CCC(C(=O)NCCN(C)Cc3ccccc3)CC1)[C@H](C)C2 ZINC001313017402 1070222634 /nfs/dbraw/zinc/22/26/34/1070222634.db2.gz UCRVCSPLMSNMFJ-RLWLMLJZSA-N 0 3 462.638 3.898 20 0 JHADHN CCOCc1nnc(N2CCN(C3CCC(C)CC3)CC2)n1C[C@@H](C)Oc1ccccc1OC ZINC001314389649 1070241901 /nfs/dbraw/zinc/24/19/01/1070241901.db2.gz CJKVSYRUOOYTGX-ATKRNPRHSA-N 0 3 471.646 3.991 20 0 JHADHN O=C(NCc1nnc(C2CCN(CC[C@H]3CC3(Cl)Cl)CC2)[nH]1)OCc1ccccc1 ZINC001307961202 1070259443 /nfs/dbraw/zinc/25/94/43/1070259443.db2.gz HXKWSPINCPORON-KRWDZBQOSA-N 0 3 452.386 3.994 20 0 JHADHN CCOC(=O)Cc1csc(NC(=O)CN2CC(C)(C)N(Cc3ccccc3)CC2(C)C)n1 ZINC001307964654 1070261059 /nfs/dbraw/zinc/26/10/59/1070261059.db2.gz JTPRDSNXEMLROT-UHFFFAOYSA-N 0 3 458.628 3.562 20 0 JHADHN NC(=O)c1ccsc1NC(=O)CCN1CCC(c2nccc(-c3cccc(F)c3)n2)CC1 ZINC001307965842 1070262173 /nfs/dbraw/zinc/26/21/73/1070262173.db2.gz OWNVYTBKSOPMEN-UHFFFAOYSA-N 0 3 453.543 3.651 20 0 JHADHN 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COC(=O)[C@@H]1CCN(CCC(=O)N[C@@H](c2cccs2)c2ccccc2)[C@@H]([C@@H]2CCCO2)C1 ZINC001308100646 1070311059 /nfs/dbraw/zinc/31/10/59/1070311059.db2.gz IFAFAFHVSCOGCH-IUBSTNSRSA-N 0 3 456.608 3.776 20 0 JHADHN COc1ccc(CN(C)C(=O)[C@H](C)N(C)CC2CCN(C(=O)OC(C)(C)C)CC2)cc1F ZINC001308167507 1070333936 /nfs/dbraw/zinc/33/39/36/1070333936.db2.gz SUXDACTYWZDTBK-KRWDZBQOSA-N 0 3 451.583 3.760 20 0 JHADHN CN(C)CCN(Cc1ccccc1F)C(=O)NCc1csc(=NC(=O)OC(C)(C)C)[nH]1 ZINC001313392896 1070346411 /nfs/dbraw/zinc/34/64/11/1070346411.db2.gz PVBFEENOAIXREO-UHFFFAOYSA-N 0 3 451.568 3.903 20 0 JHADHN COc1c(Br)cc(CN[C@@H]2CCC[C@H](S(C)(=O)=O)C2)cc1Br ZINC001308277390 1070349877 /nfs/dbraw/zinc/34/98/77/1070349877.db2.gz MKPBFUQWTDWEOQ-NEPJUHHUSA-N 0 3 455.212 3.666 20 0 JHADHN COc1c(Br)cc(CN[C@H]2CCC[C@@H](S(C)(=O)=O)C2)cc1Br ZINC001308277391 1070350151 /nfs/dbraw/zinc/35/01/51/1070350151.db2.gz MKPBFUQWTDWEOQ-NWDGAFQWSA-N 0 3 455.212 3.666 20 0 JHADHN Cc1cc(N2CC[C@@H](N[C@@H](C)CC(=O)Nc3cc(C(F)(F)F)ccc3Cl)C2=O)n(C)n1 ZINC001308296239 1070353664 /nfs/dbraw/zinc/35/36/64/1070353664.db2.gz XLUMCOOWBPDDDL-XHDPSFHLSA-N 0 3 457.884 3.513 20 0 JHADHN CCNC(=O)COc1cccc(CNCc2ccc3c(c2)CN(C(=O)OC(C)(C)C)CC3)c1 ZINC001308298647 1070353876 /nfs/dbraw/zinc/35/38/76/1070353876.db2.gz VLABGSHXDRDIQY-UHFFFAOYSA-N 0 3 453.583 3.785 20 0 JHADHN CCOCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C ZINC001314460235 1070366500 /nfs/dbraw/zinc/36/65/00/1070366500.db2.gz CYACNIKTMZXGEQ-PMACEKPBSA-N 0 3 478.682 3.738 20 0 JHADHN CS(=O)(=O)NCC[C@H]1CCCCN1Cc1cn(-c2ccccc2)nc1-c1ccc(F)cc1 ZINC001308625230 1070405015 /nfs/dbraw/zinc/40/50/15/1070405015.db2.gz HUSJBXNVXVHJMF-JOCHJYFZSA-N 0 3 456.587 3.972 20 0 JHADHN CC(C)(C)OC(=O)N1CCN([C@@H]2CCCN(Cc3cccc(-c4ccccn4)c3)C2)C(=O)C1 ZINC001308701965 1070421877 /nfs/dbraw/zinc/42/18/77/1070421877.db2.gz QOOHCHMMAOTRSH-JOCHJYFZSA-N 0 3 450.583 3.792 20 0 JHADHN CC(C)(C)OC(=O)N1CC[C@]2(C1)CCCN(Cc1ccc(OCCN3CCOCC3)cc1)C2 ZINC001308799518 1070439678 /nfs/dbraw/zinc/43/96/78/1070439678.db2.gz DAZNGQGATUGKRF-AREMUKBSSA-N 0 3 459.631 3.621 20 0 JHADHN CCOC(=O)C1CCN(C(=O)C[C@H](C)N[C@H]2C[C@H](C(=O)OC(C)(C)C)c3ccccc32)CC1 ZINC001308842715 1070446848 /nfs/dbraw/zinc/44/68/48/1070446848.db2.gz DGYNTINFDPOHLY-HSQYWUDLSA-N 0 3 458.599 3.727 20 0 JHADHN CN1CCN(Cc2ccc(N3CCN(C(=O)OC(C)(C)C)CC3)o2)[C@@H](Cc2ccccc2)C1 ZINC001308849065 1070448276 /nfs/dbraw/zinc/44/82/76/1070448276.db2.gz MCJQASMFXRGSCC-QFIPXVFZSA-N 0 3 454.615 3.695 20 0 JHADHN C[C@H]1CN(Cc2ccccc2)C[C@]2(CCN(C[C@@H]3COC(C)(C)N3C(=O)OC(C)(C)C)C2)O1 ZINC001308913764 1070459104 /nfs/dbraw/zinc/45/91/04/1070459104.db2.gz FCEFXBVPBUYTRG-UNIVCBNLSA-N 0 3 459.631 3.724 20 0 JHADHN CCS(=O)(=O)C1CCN(c2nnc(CCc3ccccc3)n2CC2(N(C)C)CCCCC2)CC1 ZINC001314511460 1070470512 /nfs/dbraw/zinc/47/05/12/1070470512.db2.gz RSJCEQVIMAKJIK-UHFFFAOYSA-N 0 3 487.714 3.731 20 0 JHADHN 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/nfs/dbraw/zinc/22/77/91/1071227791.db2.gz KGPYPJIZKCBPJI-HXUWFJFHSA-N 0 3 478.563 3.811 20 0 JHADHN CN(CCn1c(C2CCC2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1)Cc1ccc(F)cc1 ZINC001314861015 1071251322 /nfs/dbraw/zinc/25/13/22/1071251322.db2.gz OYASVZMOZLOAKR-NRFANRHFSA-N 0 3 472.609 3.920 20 0 JHADHN CN(CCn1c(Cc2cccnc2)nnc1N(C)Cc1nccs1)Cc1ccc(F)cc1 ZINC001314862934 1071258227 /nfs/dbraw/zinc/25/82/27/1071258227.db2.gz JALBVWKWKIHIDM-UHFFFAOYSA-N 0 3 451.575 3.628 20 0 JHADHN CN(CCn1c(Cc2ccccn2)nnc1N1CCN(CCC(C)(C)C)CC1)C(=O)OC(C)(C)C ZINC001314863679 1071261022 /nfs/dbraw/zinc/26/10/22/1071261022.db2.gz VMJGUQYTKBRFSO-UHFFFAOYSA-N 0 3 485.677 3.689 20 0 JHADHN CN(CCn1c(CN2CCCC2=O)nnc1N1CC[C@H](C(C)(C)C)C1)Cc1ccc(F)cc1 ZINC001314866488 1071270974 /nfs/dbraw/zinc/27/09/74/1071270974.db2.gz IMMPXGPSKSDKIM-FQEVSTJZSA-N 0 3 456.610 3.544 20 0 JHADHN CN(CCOC(C)(C)C)c1nnc(C(=O)N2CCCC2)n1CC1(N2CCSCC2)CCCCC1 ZINC001314878001 1071297270 /nfs/dbraw/zinc/29/72/70/1071297270.db2.gz XBHVYSOPHUXNKT-UHFFFAOYSA-N 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CCN1C[C@@H](C)N(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC(C)(C)CC)C[C@H]1C ZINC001313860199 1071367620 /nfs/dbraw/zinc/36/76/20/1071367620.db2.gz KJJFDFCPVMAXLI-RTBURBONSA-N 0 3 476.691 3.551 20 0 JHADHN CCN1C[C@H](C)N(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCOc2cccc(C)c2)C[C@H]1C ZINC001313860216 1071369119 /nfs/dbraw/zinc/36/91/19/1071369119.db2.gz JFRGARDWGMAXDL-TVZXLZGTSA-N 0 3 471.646 3.625 20 0 JHADHN CC[C@H](C)NS(=O)(=O)c1cccc(NC(=O)N2CCN(Cc3ccccc3)C[C@H](C)C2)c1 ZINC001310408404 1071372602 /nfs/dbraw/zinc/37/26/02/1071372602.db2.gz QLESENCBUHCZFO-PMACEKPBSA-N 0 3 458.628 3.749 20 0 JHADHN CCn1cnnc1Cn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C ZINC001313862480 1071377293 /nfs/dbraw/zinc/37/72/93/1071377293.db2.gz BFJLMZJTJIZPRI-RTWAWAEBSA-N 0 3 480.661 3.949 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCCCSC)C[C@H]1C ZINC001313861884 1071375046 /nfs/dbraw/zinc/37/50/46/1071375046.db2.gz RLSQBJNPJGYGJO-QZTJIDSGSA-N 0 3 479.094 3.924 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3cc(OC)cc(OC)c3)n2CC2(C(=O)N(C)C)CCCC2)C[C@@H]1C ZINC001313861644 1071375371 /nfs/dbraw/zinc/37/53/71/1071375371.db2.gz QFWLGZRJBDABBL-PMACEKPBSA-N 0 3 498.672 3.530 20 0 JHADHN CN1CCN(CCn2c(CC3CC3)nnc2N2CCC(C(F)(F)F)(C(F)(F)F)C2)CC1(C)C ZINC001314931360 1071375613 /nfs/dbraw/zinc/37/56/13/1071375613.db2.gz RPNTWRPTZZIBKX-UHFFFAOYSA-N 0 3 482.517 3.578 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3cnn(-c4ccccc4)c3)n2CCNC(=O)OC(C)(C)C)C[C@@H]1C ZINC001313862545 1071377639 /nfs/dbraw/zinc/37/76/39/1071377639.db2.gz HTRNJWRSTWNBQO-PMACEKPBSA-N 0 3 494.644 3.574 20 0 JHADHN CN1CCN(CCn2c(CC3CCCC3)nnc2N2CCO[C@](C)(C(C)(C)C)C2)CC1(C)C ZINC001314931815 1071377019 /nfs/dbraw/zinc/37/70/19/1071377019.db2.gz WJYSGFZYWXJQCN-SANMLTNESA-N 0 3 460.711 3.678 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3cccc(Br)c3)n2CCc2nccnc2C)C[C@H]1C ZINC001313862373 1071377025 /nfs/dbraw/zinc/37/70/25/1071377025.db2.gz QCKCADLSEKPEPJ-SJORKVTESA-N 0 3 484.446 3.968 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@H]2CC[C@@H](F)C2)C[C@@H]1C ZINC001313863657 1071382506 /nfs/dbraw/zinc/38/25/06/1071382506.db2.gz WGCRRJCMGDIFSJ-MHYXUVESSA-N 0 3 477.028 3.919 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3nn(C)c(=O)c4ccccc43)n2CC(C)(C)C(C)C)C[C@H]1C ZINC001313863947 1071382682 /nfs/dbraw/zinc/38/26/82/1071382682.db2.gz KWRGPPWFSCIDGO-MOPGFXCFSA-N 0 3 465.646 3.793 20 0 JHADHN CCN1C[C@H](C)N(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCCNC(=O)C2CCC2)C[C@@H]1C ZINC001313862788 1071378127 /nfs/dbraw/zinc/37/81/27/1071378127.db2.gz RUSCZSWOWQVZKK-SLFFLAALSA-N 0 3 486.636 3.783 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3cc(Br)c[nH]3)n2CCc2ccccn2)C[C@H]1C ZINC001313863882 1071383852 /nfs/dbraw/zinc/38/38/52/1071383852.db2.gz UONPSQFOAFAGPQ-CVEARBPZSA-N 0 3 458.408 3.592 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2CC2CCC(F)(F)CC2)C[C@H]1C ZINC001313865378 1071391955 /nfs/dbraw/zinc/39/19/55/1071391955.db2.gz ZLEBVLAAIKCRDB-IAGOWNOFSA-N 0 3 461.561 3.670 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(-c3cnccn3)n2CC(C)(C)c2ccc(OC)c(OC)c2)C[C@H]1C ZINC001313865836 1071394057 /nfs/dbraw/zinc/39/40/57/1071394057.db2.gz PGUIWZGVBYEIMP-RTBURBONSA-N 0 3 479.629 3.649 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3nn(CC)c(=O)c4ccccc43)n2CC(CC)(CC)OC)C[C@H]1C ZINC001313865012 1071390280 /nfs/dbraw/zinc/39/02/80/1071390280.db2.gz NNYIVSOQWZULOD-UXHICEINSA-N 0 3 495.672 3.799 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3ccc(OC)cc3OC)n2CCC(=O)N2CCCCCC2)C[C@H]1C ZINC001313866597 1071396491 /nfs/dbraw/zinc/39/64/91/1071396491.db2.gz KEMCXEFEPAURHS-RTWAWAEBSA-N 0 3 498.672 3.674 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(-c3ccccn3)n2CCOc2cccc(C(F)(F)F)n2)C[C@H]1C ZINC001313867708 1071400752 /nfs/dbraw/zinc/40/07/52/1071400752.db2.gz AGQFTZSYNUCRLY-IAGOWNOFSA-N 0 3 475.519 3.752 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(Cc3csc(C)n3)n2Cc2ccc(OCCOC)cc2)C[C@@H]1C ZINC001313867858 1071401626 /nfs/dbraw/zinc/40/16/26/1071401626.db2.gz LJAGWURUVLTHQP-OALUTQOASA-N 0 3 484.670 3.626 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3ccccn3)n2CCOc2cccc(C(F)(F)F)n2)C[C@H]1C ZINC001313867711 1071401775 /nfs/dbraw/zinc/40/17/75/1071401775.db2.gz AGQFTZSYNUCRLY-SJORKVTESA-N 0 3 475.519 3.752 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(CC(C)(C)C)n2Cc2ccc(OC)c(OC)c2OC)C[C@@H]1C ZINC001313868614 1071402344 /nfs/dbraw/zinc/40/23/44/1071402344.db2.gz MKAAYVAJFQNBBX-ZWKOTPCHSA-N 0 3 459.635 3.860 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(Cc3ccccc3F)n2CCCNc2ccccn2)C[C@H]1C ZINC001313868120 1071402500 /nfs/dbraw/zinc/40/25/00/1071402500.db2.gz AQEVXPYMDIFWQE-WOJBJXKFSA-N 0 3 451.594 3.824 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(Cc3ccccc3F)n2C[C@@](C)(O)c2ccsc2)C[C@@H]1C ZINC001313869911 1071410304 /nfs/dbraw/zinc/41/03/04/1071410304.db2.gz CQSOHXDFJSHAFO-LLJLJFOGSA-N 0 3 457.619 3.896 20 0 JHADHN CCN1C[C@H](C)N(c2nnc([C@H]3CCCCO3)n2CCCCn2cc(Br)cn2)C[C@@H]1C ZINC001313868774 1071406447 /nfs/dbraw/zinc/40/64/47/1071406447.db2.gz NWOKNDZBNPIXNH-CMKODMSKSA-N 0 3 494.482 3.878 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(-c3cccnc3)n2CCC2CCN(CC(F)(F)F)CC2)C[C@@H]1C ZINC001313870084 1071411375 /nfs/dbraw/zinc/41/13/75/1071411375.db2.gz FKCNSJLTADQMSY-RBUKOAKNSA-N 0 3 479.595 3.923 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(CCc3ccc(OC)cc3)n2CC2(SC)CCOCC2)C[C@H]1C ZINC001313869119 1071407314 /nfs/dbraw/zinc/40/73/14/1071407314.db2.gz PDBLHOHUIBGSBW-NHCUHLMSSA-N 0 3 487.714 3.903 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(Cc3csc(C)n3)n2Cc2ccc(C)cc2OC)C[C@@H]1C ZINC001313869424 1071409398 /nfs/dbraw/zinc/40/93/98/1071409398.db2.gz PRPDWMJEZRSAGH-ZWKOTPCHSA-N 0 3 454.644 3.918 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(CCc3ccccc3)n2C[C@@](C)(O)c2cccs2)C[C@H]1C ZINC001313871145 1071416857 /nfs/dbraw/zinc/41/68/57/1071416857.db2.gz XKTUPRFUDHICCF-OHUGHZGNSA-N 0 3 453.656 3.951 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(-c3ccccc3Cl)n2CCN2CCOC(C)(C)C2)C[C@@H]1C ZINC001313870092 1071412194 /nfs/dbraw/zinc/41/21/94/1071412194.db2.gz FNDMSCPOSWEFPJ-RBUKOAKNSA-N 0 3 461.054 3.628 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(Cc3ccsc3)n2CCNC(=O)c2ccc(C)cc2)C[C@H]1C ZINC001313870178 1071412462 /nfs/dbraw/zinc/41/24/62/1071412462.db2.gz SUIKDACCVYVCEL-UXHICEINSA-N 0 3 466.655 3.588 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H](C(C)C)N2CCOCC2)C[C@@H]1C ZINC001313870589 1071414250 /nfs/dbraw/zinc/41/42/50/1071414250.db2.gz DWVUICDEGXRCQL-HFMPRLQTSA-N 0 3 489.108 3.798 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3ccc(Cl)nc3)n2Cc2cccc(C(=O)N(C)C)c2)C[C@@H]1C ZINC001313871476 1071416745 /nfs/dbraw/zinc/41/67/45/1071416745.db2.gz UAKFLDMPYCBQSW-ROUUACIJSA-N 0 3 482.032 3.663 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3ccc(OC)cc3OC)n2Cc2nccc(C(F)F)n2)C[C@H]1C ZINC001313871549 1071417614 /nfs/dbraw/zinc/41/76/14/1071417614.db2.gz UJZXGAVLKMJGHT-CVEARBPZSA-N 0 3 487.555 3.657 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(-c3cn(C)c4ccccc34)n2CCN(C)CC(F)(F)F)C[C@H]1C ZINC001313871752 1071418252 /nfs/dbraw/zinc/41/82/52/1071418252.db2.gz HWNMSRUNNHOSFQ-QZTJIDSGSA-N 0 3 477.579 3.850 20 0 JHADHN CCN1C[C@H](C)N(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(NC(=O)NC(C)C)cc2)C[C@@H]1C ZINC001313872272 1071421044 /nfs/dbraw/zinc/42/10/44/1071421044.db2.gz VZYTYQVSNLZDQA-JAXLGGSGSA-N 0 3 483.661 3.669 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3ccccc3Br)n2C[C@@H]2NC(=O)CC2(C)C)C[C@@H]1C ZINC001313872650 1071421986 /nfs/dbraw/zinc/42/19/86/1071421986.db2.gz JZIFPVFPJLPIAI-BXWFABGCSA-N 0 3 489.462 3.541 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(-c3ccc(Cl)cc3OC)n2Cc2nnc(C)s2)C[C@H]1C ZINC001313872447 1071422057 /nfs/dbraw/zinc/42/20/57/1071422057.db2.gz XJEQZLFELYJPFO-ZIAGYGMSSA-N 0 3 462.023 3.734 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(COc3ccc(C)cc3)n2CCCNC(=O)c2occc2C)C[C@@H]1C ZINC001313873012 1071423903 /nfs/dbraw/zinc/42/39/03/1071423903.db2.gz BPIULJSSRVOVCF-VXKWHMMOSA-N 0 3 494.640 3.806 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(COc3ccc(C)c(C)c3)n2CCc2nnc(C)s2)C[C@@H]1C ZINC001313874014 1071427000 /nfs/dbraw/zinc/42/70/00/1071427000.db2.gz FTFICUXZJUOMOT-RBUKOAKNSA-N 0 3 469.659 3.795 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(Cc3c(F)cccc3F)n2CCNC(=O)c2cccs2)C[C@@H]1C ZINC001313874134 1071427281 /nfs/dbraw/zinc/42/72/81/1071427281.db2.gz MWDTXZKPUXMVSN-IRXDYDNUSA-N 0 3 488.608 3.558 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(CNC(=O)c3cccs3)n2CCOc2ccc(C)cc2)C[C@H]1C ZINC001313874769 1071430616 /nfs/dbraw/zinc/43/06/16/1071430616.db2.gz KBDDVWIMXPIOON-WOJBJXKFSA-N 0 3 482.654 3.576 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(COc3ccc(Cl)cc3)n2Cc2ccc(OC)nc2)C[C@H]1C ZINC001313875120 1071432098 /nfs/dbraw/zinc/43/20/98/1071432098.db2.gz LEGDSODXQUHBHD-MSOLQXFVSA-N 0 3 471.005 3.881 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3ccccc3OC)n2CCOCC(F)(F)C(F)F)C[C@H]1C ZINC001313875387 1071433614 /nfs/dbraw/zinc/43/36/14/1071433614.db2.gz RXTLESOZUQMYFU-CVEARBPZSA-N 0 3 473.515 3.790 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(Cc3c(F)cccc3F)n2CCCOCC2CCOCC2)C[C@H]1C ZINC001313875379 1071433691 /nfs/dbraw/zinc/43/36/91/1071433691.db2.gz QEPVESXYBAFNBR-WOJBJXKFSA-N 0 3 491.627 3.899 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(COc3ccc(C)c(C)c3)n2CCn2cc(Cl)cn2)C[C@@H]1C ZINC001313877018 1071440011 /nfs/dbraw/zinc/44/00/11/1071440011.db2.gz QFPPABMIZZKHTN-VQTJNVASSA-N 0 3 472.037 3.943 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(COc3cccc(C)c3)n2CCCN(C)CC(F)(F)F)C[C@H]1C ZINC001313876483 1071438449 /nfs/dbraw/zinc/43/84/49/1071438449.db2.gz OYEFLJOHPSSVCK-UXHICEINSA-N 0 3 482.595 3.969 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3ccccn3)n2CC[C@H]2CCN(C(=O)OC(C)(C)C)C2)C[C@@H]1C ZINC001313876620 1071438926 /nfs/dbraw/zinc/43/89/26/1071438926.db2.gz VAGKVGQFNLYEHQ-PCCBWWKXSA-N 0 3 483.661 3.906 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(COc3ccc(C)c(C)c3)n2CCCO[C@H]2CCOC2)C[C@@H]1C ZINC001313875533 1071434586 /nfs/dbraw/zinc/43/45/86/1071434586.db2.gz MOKMIBOKRVPTJQ-FIXSFTCYSA-N 0 3 471.646 3.588 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(Cc3cccnc3)n2CCc2nc(C(F)(F)F)cs2)C[C@H]1C ZINC001313878711 1071445422 /nfs/dbraw/zinc/44/54/22/1071445422.db2.gz XPHWWLQWJGRUJF-HZPDHXFCSA-N 0 3 479.576 3.901 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(CSc3ccc(C)cc3)n2Cc2cnn(CCOC)c2)C[C@H]1C ZINC001313884836 1071465110 /nfs/dbraw/zinc/46/51/10/1071465110.db2.gz NTEOORKZINZILW-RTWAWAEBSA-N 0 3 483.686 3.689 20 0 JHADHN CCN1CC[C@H](Cn2c(-c3cc4c(s3)CCCCC4)nnc2N(C)[C@H](C)CS(=O)(=O)CC)C1 ZINC001313888047 1071475001 /nfs/dbraw/zinc/47/50/01/1071475001.db2.gz FZOZTPNMIBBKME-MOPGFXCFSA-N 0 3 493.743 3.877 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC(C)(C)COC)C[C@H]1C ZINC001313888605 1071477764 /nfs/dbraw/zinc/47/77/64/1071477764.db2.gz WVVHUQOLTGQUBF-AQNXPRMDSA-N 0 3 478.682 3.942 20 0 JHADHN CCN1CCC[C@@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCS[C@@H](C(C)C)C1 ZINC001313898098 1071504439 /nfs/dbraw/zinc/50/44/39/1071504439.db2.gz NZUVICHGBSRQOL-NHCUHLMSSA-N 0 3 491.105 3.924 20 0 JHADHN CCN1CCCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1c(F)cccc1Cl ZINC001313904444 1071518424 /nfs/dbraw/zinc/51/84/24/1071518424.db2.gz HTRRUNWRGQXPET-QGZVFWFLSA-N 0 3 463.001 3.817 20 0 JHADHN CCN1CCCC[C@@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@H](C)[C@H](OC)C1 ZINC001313906898 1071525938 /nfs/dbraw/zinc/52/59/38/1071525938.db2.gz SQAZGBYVXAGQFO-WWPVKYPJSA-N 0 3 468.646 3.883 20 0 JHADHN CNC(=O)CC1CCN(c2nnc(Cc3ccsc3)n2C[C@H](c2ccc(F)cc2)N(C)C)CC1 ZINC001315025200 1071549216 /nfs/dbraw/zinc/54/92/16/1071549216.db2.gz DAYUGQKPSKEFTR-JOCHJYFZSA-N 0 3 484.645 3.725 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(-c3cc(OC)ccc3Br)nnc2N2CC=CCC2)CC1 ZINC001313920480 1071559559 /nfs/dbraw/zinc/55/95/59/1071559559.db2.gz JKPDAXWYLVGNNS-SFHVURJKSA-N 0 3 489.462 3.509 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(C)nnc2N(C)[C@@H](CF)c2ccc(Br)cc2)CC1 ZINC001313921664 1071561150 /nfs/dbraw/zinc/56/11/50/1071561150.db2.gz SGLWPSGZYKIECY-UZLBHIALSA-N 0 3 467.431 3.522 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(C(C)C)nnc2N2CCO[C@@H](c3ccc(Cl)cc3)C2)CC1 ZINC001313921865 1071562682 /nfs/dbraw/zinc/56/26/82/1071562682.db2.gz TWYKYMCHMFJLRE-SIKLNZKXSA-N 0 3 461.054 3.659 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(-c3ccc(C)c(Br)c3)nnc2N2CCC(F)(F)C2)CC1 ZINC001313921920 1071563070 /nfs/dbraw/zinc/56/30/70/1071563070.db2.gz UGVWSHNSAHLGHW-KRWDZBQOSA-N 0 3 497.432 3.887 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(-c3cc(OC)cc(OC)c3)nnc2N2CCC[C@@H](C)CC2)CC1 ZINC001313922336 1071563727 /nfs/dbraw/zinc/56/37/27/1071563727.db2.gz VTIHYPMTPPHSEK-NHCUHLMSSA-N 0 3 470.662 3.615 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(-c3cccc(Br)c3)nnc2N(C)CCC2CC2)CC1 ZINC001313922363 1071564259 /nfs/dbraw/zinc/56/42/59/1071564259.db2.gz WGYHVTRWIDKAPJ-GOSISDBHSA-N 0 3 475.479 3.970 20 0 JHADHN CCN1CCN([C@H](C)Cn2c([C@H](C)Oc3ccccc3F)nnc2N(C)CC2CC(F)C2)CC1 ZINC001313923003 1071566172 /nfs/dbraw/zinc/56/61/72/1071566172.db2.gz ZERPIVXCHZHHQU-QAJIEZEQSA-N 0 3 476.616 3.768 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(-c3ccc(OC)cc3)nnc2N2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC001313924446 1071570244 /nfs/dbraw/zinc/57/02/44/1071570244.db2.gz GBWGMRWYJCCZAI-AZUAARDMSA-N 0 3 480.579 3.758 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(-c3ccc(C)o3)nnc2N2CCC[C@@H](OC(C)(C)C)C2)CC1 ZINC001313923926 1071568769 /nfs/dbraw/zinc/56/87/69/1071568769.db2.gz BBEMCZAZJKPIDN-PZJWPPBQSA-N 0 3 458.651 3.656 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(-c3cccnc3)nnc2N(C)[C@H](C)c2ccc(OC)cc2)CC1 ZINC001313924955 1071571963 /nfs/dbraw/zinc/57/19/63/1071571963.db2.gz KCZRNNGCXGCZOO-NHCUHLMSSA-N 0 3 463.630 3.572 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(-c3ccccc3C)nnc2N2CCC[C@@](C)(OC)CC2)CC1 ZINC001313924807 1071572089 /nfs/dbraw/zinc/57/20/89/1071572089.db2.gz JCANUUFWULJOHN-BKMJKUGQSA-N 0 3 454.663 3.675 20 0 JHADHN CNC(=O)CCN(C)c1nnc(Cc2ccc(Cl)cc2)n1C[C@H](c1ccco1)N1CCCC1 ZINC001315041124 1071573322 /nfs/dbraw/zinc/57/33/22/1071573322.db2.gz LXKTWGQHBNQBLS-HXUWFJFHSA-N 0 3 471.005 3.525 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(-c3cn(C)c4ccccc34)nnc2N(C)CCC(F)F)CC1 ZINC001313925455 1071573894 /nfs/dbraw/zinc/57/38/94/1071573894.db2.gz QYVTYPRHSHQJND-GOSISDBHSA-N 0 3 459.589 3.554 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(-c3cccc(C)n3)nnc2N(C)[C@@H](C)c2ccc(OC)cc2)CC1 ZINC001313925763 1071574864 /nfs/dbraw/zinc/57/48/64/1071574864.db2.gz AGMFSZNTIMNMBB-VXKWHMMOSA-N 0 3 477.657 3.881 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(N3CCC([C@H](O)c4ccc(F)cc4)CC3)nnc2C(C)(C)C)CC1 ZINC001313926979 1071578091 /nfs/dbraw/zinc/57/80/91/1071578091.db2.gz GRVYKTVQJRXKSA-HYBUGGRVSA-N 0 3 486.680 3.691 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(CC(C)(C)C)nnc2N2CCC(C(=O)Nc3ccccc3)CC2)CC1 ZINC001313927663 1071581185 /nfs/dbraw/zinc/58/11/85/1071581185.db2.gz JNTNQNVIOALBMV-QFIPXVFZSA-N 0 3 495.716 3.748 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(Cc3ccc(Cl)cc3)nnc2N(C)Cc2c(C)nn(C)c2C)CC1 ZINC001313927360 1071579780 /nfs/dbraw/zinc/57/97/80/1071579780.db2.gz JXGMRQLEPYMVAY-LJQANCHMSA-N 0 3 499.107 3.535 20 0 JHADHN CCN1CCN([C@H](C)Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCC[C@@H](C)CC2)CC1 ZINC001313927418 1071580091 /nfs/dbraw/zinc/58/00/91/1071580091.db2.gz KRBARURYQVKBJD-SSGKUCQKSA-N 0 3 460.711 3.849 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(COc3cc(C)ccc3C)nnc2N(C)OC2CCCC2)CC1 ZINC001313927547 1071580508 /nfs/dbraw/zinc/58/05/08/1071580508.db2.gz MAVAGYUNCYGNSE-QFIPXVFZSA-N 0 3 470.662 3.810 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(COc3ccccc3F)nnc2N2CCC(C)(C)CC2)CC1 ZINC001313928120 1071582737 /nfs/dbraw/zinc/58/27/37/1071582737.db2.gz QLWCUWBLRYIMGQ-FQEVSTJZSA-N 0 3 458.626 3.649 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(COc3ccccc3OC)nnc2N2CCC(C(C)C)CC2)CC1 ZINC001313929277 1071586533 /nfs/dbraw/zinc/58/65/33/1071586533.db2.gz YHYFNFGHJYWYKQ-JOCHJYFZSA-N 0 3 484.689 3.764 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(COc3cccc(C)c3)nnc2N(C)Cc2ccc(C)o2)CC1 ZINC001313928591 1071584458 /nfs/dbraw/zinc/58/44/58/1071584458.db2.gz UKNKUGPZSVDDAF-OAQYLSRUSA-N 0 3 466.630 3.729 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(Cc3ccccc3OC)nnc2N(C)CC2CCCC2)CC1 ZINC001313929958 1071587948 /nfs/dbraw/zinc/58/79/48/1071587948.db2.gz ULJQBINEKGTLMZ-OAQYLSRUSA-N 0 3 454.663 3.530 20 0 JHADHN CCN1CCN(c2nnc(-c3cc(F)ccc3Br)n2CCCn2ccnc2C)C[C@@H]1C ZINC001313930261 1071588969 /nfs/dbraw/zinc/58/89/69/1071588969.db2.gz AULWWPXMYHYRIK-INIZCTEOSA-N 0 3 490.425 3.972 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(-c3cccc(C)n3)nnc2N(C)CCCc2ccccc2)CC1 ZINC001313933493 1071598043 /nfs/dbraw/zinc/59/80/43/1071598043.db2.gz ZBSYSMCRBFUNKN-HSZRJFAPSA-N 0 3 461.658 3.744 20 0 JHADHN CCN1CCN([C@H]2CCN(c3nnc(C(C)C)n3CCCCOc3ccc(C)cc3)C2)CC1 ZINC001313942904 1071621448 /nfs/dbraw/zinc/62/14/48/1071621448.db2.gz NNGPEQQLBCQXDF-QHCPKHFHSA-N 0 3 454.663 3.785 20 0 JHADHN CCN1CCN([C@@H]2CCN(c3nnc(-c4cc(Br)c[nH]4)n3CC(C)(C)CC)C2)CC1 ZINC001313945617 1071626723 /nfs/dbraw/zinc/62/67/23/1071626723.db2.gz RSPVFJUVFRSSFN-GOSISDBHSA-N 0 3 478.483 3.688 20 0 JHADHN CCN1CCN([C@@H]2CCN(c3nnc(-c4ccccc4OC)n3C[C@@H](SC)C(C)(C)C)C2)CC1 ZINC001313948767 1071633997 /nfs/dbraw/zinc/63/39/97/1071633997.db2.gz RONRTNTVGUDWBA-NFBKMPQASA-N 0 3 486.730 3.948 20 0 JHADHN CCN1CCN([C@H]2CCN(c3nnc(-c4ccccc4OC)n3C[C@@H](SC)C(C)(C)C)C2)CC1 ZINC001313948768 1071634165 /nfs/dbraw/zinc/63/41/65/1071634165.db2.gz RONRTNTVGUDWBA-NZQKXSOJSA-N 0 3 486.730 3.948 20 0 JHADHN CCN1CCN(C[C@H](C)Cn2c(COc3ccccc3F)nnc2N(C)CC(C)(C)C)CC1 ZINC001313950654 1071639401 /nfs/dbraw/zinc/63/94/01/1071639401.db2.gz BOHSFEMLCKTQIN-FQEVSTJZSA-N 0 3 460.642 3.752 20 0 JHADHN CCN1CCN(C[C@H](C)Cn2c(N3CC[C@@]4(C)[C@@H](C3)C4(Cl)Cl)nnc2C(C)(C)C)CC1 ZINC001313951047 1071640418 /nfs/dbraw/zinc/64/04/18/1071640418.db2.gz CXKWRXYNDUAVHT-SVMVAKDDSA-N 0 3 471.521 3.869 20 0 JHADHN CCN1CCN(C[C@@H](C)Cn2c(CSc3ccccc3OC)nnc2N2CC=CCC2)CC1 ZINC001313951367 1071641760 /nfs/dbraw/zinc/64/17/60/1071641760.db2.gz HBKBOMLXRAGMQZ-OAQYLSRUSA-N 0 3 470.687 3.619 20 0 JHADHN CCN1CCN(C[C@@H](C)Cn2c(C(C)C)nnc2N2CCC[C@H](C(=O)c3ccc(F)cc3)C2)CC1 ZINC001313952202 1071644354 /nfs/dbraw/zinc/64/43/54/1071644354.db2.gz YFBMCLUMKVJQBQ-GGAORHGYSA-N 0 3 484.664 3.914 20 0 JHADHN CCN1CCN(C[C@H](C)Cn2c(N3CCC([C@H]4CC4(F)F)CC3)nnc2C(C)(C)C)CC1 ZINC001313952145 1071644567 /nfs/dbraw/zinc/64/45/67/1071644567.db2.gz 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CCN1CCN(CCCn2c(Cc3ccccc3F)nnc2N2CCO[C@@](C)(C(C)(C)C)C2)CC1 ZINC001313959855 1071668147 /nfs/dbraw/zinc/66/81/47/1071668147.db2.gz BQWBOVQYDKUXGK-HHHXNRCGSA-N 0 3 486.680 3.677 20 0 JHADHN CCO[C@H](CCn1c(C2CCCC2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1)C(C)C ZINC001314058672 1071889688 /nfs/dbraw/zinc/88/96/88/1071889688.db2.gz CBOHHWICTUYMEO-DNQXCXABSA-N 0 3 460.711 3.992 20 0 JHADHN CCO[C@@]1(c2nnc(N3CC=C(C(F)(F)F)CC3)n2C[C@H](c2ccccc2)N(C)C)CCOC1 ZINC001314107808 1071999479 /nfs/dbraw/zinc/99/94/79/1071999479.db2.gz VLFGNOHILAORCN-OFNKIYASSA-N 0 3 479.547 3.932 20 0 JHADHN CCO[C@@]1(c2nnc(N3CCN(C4CCC(C)CC4)CC3)n2CCCSCC)CCOC1 ZINC001314132586 1072044763 /nfs/dbraw/zinc/04/47/63/1072044763.db2.gz AOKVHFMYBDBPRQ-VUNKPPBISA-N 0 3 465.708 3.774 20 0 JHADHN CCO[C@]1(c2nnc(N3CCN(C(C)(C)C)CC3)n2Cc2ccc(Cl)cc2OC)CCOC1 ZINC001314134663 1072047137 /nfs/dbraw/zinc/04/71/37/1072047137.db2.gz JJHBEXBCEGDTEV-XMMPIXPASA-N 0 3 478.037 3.561 20 0 JHADHN CCO[C@@]1(c2nnc(N3CCN(C(C)(C)C)CC3)n2C[C@H](C)Oc2cccc(C)c2)CCOC1 ZINC001314137126 1072048949 /nfs/dbraw/zinc/04/89/49/1072048949.db2.gz UCQHPJKGZHHLBC-LVXARBLLSA-N 0 3 471.646 3.627 20 0 JHADHN CCO[C@@]1(c2nnc(N3CCN(CC(C)C)CC3)n2CC[C@H](C)c2ccccc2)CCOC1 ZINC001314138697 1072050660 /nfs/dbraw/zinc/05/06/60/1072050660.db2.gz YHEOTXVWKHXFDR-NVQXNPDNSA-N 0 3 455.647 3.902 20 0 JHADHN CCc1ccccc1OCc1nnc(N2C[C@@H](C)N(CC)C[C@@H]2C)n1CCNC(=O)C(C)(C)C ZINC001305984951 1068334275 /nfs/dbraw/zinc/33/42/75/1068334275.db2.gz UNWBRCYLMGATDW-UXHICEINSA-N 0 3 470.662 3.501 20 0 JHADHN CCc1ccccc1OCc1nnc(N2CCN(CC(C)C)CC2)n1C[C@H]1CCOC[C@@H]1C ZINC001305985473 1068335249 /nfs/dbraw/zinc/33/52/49/1068335249.db2.gz KALLPYJHDUECGP-JTHBVZDNSA-N 0 3 455.647 3.870 20 0 JHADHN CCc1csc([C@H]2CCCN(c3nnc(C(C)C)n3CCCN3CCC[C@H]3C(=O)N(C)C)C2)n1 ZINC001305998973 1068367681 /nfs/dbraw/zinc/36/76/81/1068367681.db2.gz MYNXBTYTTFBWAU-FPOVZHCZSA-N 0 3 487.718 3.747 20 0 JHADHN CCc1nc(C)c(Cn2c(-c3cc(Br)c[nH]3)nnc2N2C[C@@H](C)N(CC)C[C@H]2C)o1 ZINC001306009246 1068389900 /nfs/dbraw/zinc/38/99/00/1068389900.db2.gz UEKKZNXXJOHFOX-ZIAGYGMSSA-N 0 3 476.423 3.862 20 0 JHADHN CCc1nc(C)c(Cn2c(Cc3ccccc3OC)nnc2N2CCN(C(C)(C)C)CC2)o1 ZINC001306011459 1068394118 /nfs/dbraw/zinc/39/41/18/1068394118.db2.gz HIUGGAXHKSYSFS-UHFFFAOYSA-N 0 3 452.603 3.705 20 0 JHADHN CCc1nn(C)c(CC)c1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C ZINC001306043727 1068461537 /nfs/dbraw/zinc/46/15/37/1068461537.db2.gz SCVYNYPKBXHCCR-OALUTQOASA-N 0 3 495.672 3.788 20 0 JHADHN CCc1nnc(N2C[C@@H](C)C[C@]3(C2)OC(=O)Nc2ccc(Cl)c(F)c23)n1CCN(C)CCOC ZINC001306107230 1068520598 /nfs/dbraw/zinc/52/05/98/1068520598.db2.gz COIWIGVSDQEJPU-NPMXOYFQSA-N 0 3 494.999 3.515 20 0 JHADHN CCc1nnc(N2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)n1C[C@@H](c1cccc(F)c1)N(C)C ZINC001306118615 1068525731 /nfs/dbraw/zinc/52/57/31/1068525731.db2.gz SSTZBWNVQSAGHW-XXBNENTESA-N 0 3 470.637 3.757 20 0 JHADHN CCc1nnc(N2CCC([C@@](C)(O)C(F)(F)F)CC2)n1CCCN1CCN(c2ccccc2)CC1 ZINC001306121898 1068531198 /nfs/dbraw/zinc/53/11/98/1068531198.db2.gz KXOVNFNYNOFMHK-XMMPIXPASA-N 0 3 494.606 3.583 20 0 JHADHN CCc1nnc(N2CC[C@H](CN(CC)CC(F)(F)F)C2)n1C[C@@H](c1ccc(F)cc1)N(C)C ZINC001306132265 1068535251 /nfs/dbraw/zinc/53/52/51/1068535251.db2.gz CNYSVMMIMIFHAX-XLIONFOSSA-N 0 3 470.559 3.993 20 0 JHADHN CCc1nnc(N2CC[C@H](N3CCN(C(C)C)CC3)C2)n1C[C@H](F)c1ccc(Br)cc1 ZINC001306142100 1068543430 /nfs/dbraw/zinc/54/34/30/1068543430.db2.gz MBKCLALDKAWIFG-SFTDATJTSA-N 0 3 493.469 3.919 20 0 JHADHN CCc1nnc(N2CCC(NC(=O)OC(C)(C)C)CC2)n1C[C@H](c1cccc(F)c1)N(C)C ZINC001306143598 1068545966 /nfs/dbraw/zinc/54/59/66/1068545966.db2.gz GVPVNOQWOHJHEW-HXUWFJFHSA-N 0 3 460.598 3.776 20 0 JHADHN CCc1nnc(N2CCC[C@H](N(C)C(=O)OC(C)(C)C)C2)n1CCN(C)Cc1ccccc1 ZINC001306165481 1068561182 /nfs/dbraw/zinc/56/11/82/1068561182.db2.gz BHAVWNSFTGWWLJ-NRFANRHFSA-N 0 3 456.635 3.808 20 0 JHADHN CCc1nnc(N2CCO[C@@H](c3noc(C(C)C)n3)C2)n1C[C@H](c1ccco1)N(CC)CC ZINC001306219172 1068606826 /nfs/dbraw/zinc/60/68/26/1068606826.db2.gz CIPSKYIYWXMZPH-IEBWSBKVSA-N 0 3 457.579 3.601 20 0 JHADHN CC[C@H]1C[C@H](C)CN1c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCN1CCN(CC)CC1 ZINC001306303721 1068720657 /nfs/dbraw/zinc/72/06/57/1068720657.db2.gz ZQHDVGAVTQUUJE-MYDTUXCISA-N 0 3 460.711 3.849 20 0 JHADHN CC[C@H]1CCCCN1CCn1c(-c2ccccc2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 ZINC001306318342 1068741516 /nfs/dbraw/zinc/74/15/16/1068741516.db2.gz FVLFWGXAAYDWNZ-VXKWHMMOSA-N 0 3 459.660 3.613 20 0 JHADHN CCC1CCN(c2nnc(COc3ccc(F)cc3)n2CCN2CCN(C)C(C)(C)C2)CC1 ZINC001306380692 1068811983 /nfs/dbraw/zinc/81/19/83/1068811983.db2.gz BKOPNZIMDOHOQI-UHFFFAOYSA-N 0 3 458.626 3.649 20 0 JHADHN CCC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC001306382612 1068814395 /nfs/dbraw/zinc/81/43/95/1068814395.db2.gz BYHIHLPVZXNWLE-DNVJHFABSA-N 0 3 488.721 3.766 20 0 JHADHN CC[C@H]1CN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC(C)(C)CN2CCCC2)CCS1 ZINC001306400005 1068856815 /nfs/dbraw/zinc/85/68/15/1068856815.db2.gz HBEHEKGKZRNJAI-FQEVSTJZSA-N 0 3 491.727 3.802 20 0 JHADHN CC[C@@H]1CN(c2nnc(Cc3csc(C)n3)n2C[C@H](c2cccc(OC)c2)N(C)C)CCO1 ZINC001306444304 1068955861 /nfs/dbraw/zinc/95/58/61/1068955861.db2.gz MJBCOABNYVEZML-IFMALSPDSA-N 0 3 470.643 3.561 20 0 JHADHN C[C@H]1C[C@H](NC(=O)Nc2ccccc2OCC(=O)Nc2cccnc2)CN1Cc1ccccc1 ZINC001310513740 1068995197 /nfs/dbraw/zinc/99/51/97/1068995197.db2.gz SXYXBKYQTFJHEJ-UGKGYDQZSA-N 0 3 459.550 3.884 20 0 JHADHN CC[C@H]1CN(c2nnc([C@H]3CCCO3)n2CCN2CCCCC2)CC[C@H]1NC(=O)OC(C)(C)C ZINC001306461888 1068997261 /nfs/dbraw/zinc/99/72/61/1068997261.db2.gz GKVOWOGQDFAMAJ-PWRODBHTSA-N 0 3 476.666 3.745 20 0 JHADHN CC/C=C/Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(CCOC)[C@H](CCC)C1 ZINC001306471239 1069014671 /nfs/dbraw/zinc/01/46/71/1069014671.db2.gz SMZGCYQGSDTHMB-IRUYWQDXSA-N 0 3 455.603 3.620 20 0 JHADHN CC/C=C/Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC001306471388 1069015374 /nfs/dbraw/zinc/01/53/74/1069015374.db2.gz WHAUQXQWXLTGRJ-CQQBXOTJSA-N 0 3 468.646 3.533 20 0 JHADHN CN1CCN(Cc2ccc(CNC(=O)Nc3c(F)cc(F)cc3Br)cc2)CC1 ZINC001310567952 1069022594 /nfs/dbraw/zinc/02/25/94/1069022594.db2.gz JMMBGRPNDFHMBV-UHFFFAOYSA-N 0 3 453.331 3.796 20 0 JHADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@@H](c2ccc(C(C)(C)C)cc2)C(F)(F)F)CC1 ZINC001310579450 1069028186 /nfs/dbraw/zinc/02/81/86/1069028186.db2.gz BCRIBQZYCKMBQG-MOPGFXCFSA-N 0 3 454.537 3.536 20 0 JHADHN CCN1CCN(c2cccc(NC(=O)N3CCN(C(=O)OC(C)(C)C)C[C@H]3C(C)C)c2)CC1 ZINC001310598289 1069041976 /nfs/dbraw/zinc/04/19/76/1069041976.db2.gz XMBYKMFPLPAMJP-QFIPXVFZSA-N 0 3 459.635 3.938 20 0 JHADHN CCCC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C)n3)n2C[C@H](c2ccc(F)cc2)N(C)C)C1 ZINC001306501640 1069066437 /nfs/dbraw/zinc/06/64/37/1069066437.db2.gz GSYQBFGIVHVGNB-LADGPHEKSA-N 0 3 493.631 3.976 20 0 JHADHN CCC[C@](C)(O)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 ZINC001306526394 1069155289 /nfs/dbraw/zinc/15/52/89/1069155289.db2.gz JUHKWUMYHDQVHJ-DPZBCOQUSA-N 0 3 468.690 3.587 20 0 JHADHN CCC[C@](C)(O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001306528509 1069162779 /nfs/dbraw/zinc/16/27/79/1069162779.db2.gz IQGMRRFZFFTNAJ-DEOSSOPVSA-N 0 3 480.028 3.837 20 0 JHADHN CNC(=O)c1cc(Oc2cccc(NC(=O)N[C@H]3CN(Cc4ccccc4)C[C@@H]3C)c2)ccn1 ZINC001310818714 1069176772 /nfs/dbraw/zinc/17/67/72/1069176772.db2.gz JMMOZWXMHJGVJH-UUOWRZLLSA-N 0 3 459.550 3.876 20 0 JHADHN O=C(Nc1ccc(-c2ccc(Cl)s2)nn1)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC001310978775 1069238790 /nfs/dbraw/zinc/23/87/90/1069238790.db2.gz ZFAQECCQHSNPQX-SJORKVTESA-N 0 3 457.987 3.863 20 0 JHADHN CCCC(O)(CCC)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1C[C@H](C)N(CC)C[C@@H]1C ZINC001306594549 1069266390 /nfs/dbraw/zinc/26/63/90/1069266390.db2.gz MBENEGSEOXWDQP-OALUTQOASA-N 0 3 457.619 3.924 20 0 JHADHN CCC[C@@H]1CN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@]2(C)COCCO2)CCN1CCOC ZINC001306618616 1069302093 /nfs/dbraw/zinc/30/20/93/1069302093.db2.gz GFYBWFQBGPKEBC-UFHPHHKVSA-N 0 3 499.700 3.985 20 0 JHADHN CCC[C@H]1CN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@@]2(C)COCCO2)CCN1CCOC ZINC001306618614 1069302404 /nfs/dbraw/zinc/30/24/04/1069302404.db2.gz GFYBWFQBGPKEBC-CUBQBAPOSA-N 0 3 499.700 3.985 20 0 JHADHN CCC[C@H]1CN(c2nnc(-c3cccc(Br)c3)n2CCC(C)(C)O)CCN1CCOC ZINC001306619790 1069305388 /nfs/dbraw/zinc/30/53/88/1069305388.db2.gz ZRPBLMNZLGJQRS-FQEVSTJZSA-N 0 3 494.478 3.806 20 0 JHADHN CC(C)(C)OC(=O)N1CCn2nc(NC(=O)NC[C@@H](c3ccccc3)N3CCCC3)cc2C1 ZINC001311241740 1069305568 /nfs/dbraw/zinc/30/55/68/1069305568.db2.gz DNOMMNWEEIITIT-FQEVSTJZSA-N 0 3 454.575 3.592 20 0 JHADHN CCC[C@H]1CN(c2nnc(-c3cccn3C)n2Cc2ccc(C)c(OC)c2)CCN1CCOC ZINC001306621141 1069309156 /nfs/dbraw/zinc/30/91/56/1069309156.db2.gz MYQUKJUJOKRSHG-QFIPXVFZSA-N 0 3 466.630 3.586 20 0 JHADHN O=C(Nc1nncs1)c1cnc(N2CCC[C@H]3CN(Cc4ccccc4)C[C@@H]32)c(Cl)c1 ZINC001164630926 719101636 /nfs/dbraw/zinc/10/16/36/719101636.db2.gz XRFIJYASHLAIJT-LPHOPBHVSA-N 0 3 454.987 3.940 20 0 JHADHN O=C(Nc1nncs1)c1cnc(N2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)c(Cl)c1 ZINC001164630927 719102253 /nfs/dbraw/zinc/10/22/53/719102253.db2.gz XRFIJYASHLAIJT-QFBILLFUSA-N 0 3 454.987 3.940 20 0 JHADHN CNC(=O)CN1CCCC12CCN(c1ncc(F)c(-c3cc4c(nc(C)n4C(C)C)c(F)c3)n1)CC2 ZINC001164687447 719720941 /nfs/dbraw/zinc/72/09/41/719720941.db2.gz XOSUDOKYOMOMLY-UHFFFAOYSA-N 0 3 497.594 3.842 20 0 JHADHN CNC(=O)CN1CCCC12CCN(c1cnc(Cl)nc1Oc1ccc(Cl)cc1)CC2 ZINC001164689403 719752304 /nfs/dbraw/zinc/75/23/04/719752304.db2.gz FLAPWRKWQLCZPM-UHFFFAOYSA-N 0 3 450.370 3.757 20 0 JHADHN CCOC(=O)c1cc2ccc(N3CCC4(C[C@H](COC)[N@H+](Cc5ccccn5)C4)CC3)nc2[n-]1 ZINC001164710865 720131228 /nfs/dbraw/zinc/13/12/28/720131228.db2.gz FEYBOYOYMXRFOG-OAQYLSRUSA-N 0 3 463.582 3.642 20 0 JHADHN CCOC(=O)c1cc2ccc(N3CCC4(C[C@H](COC)[N@@H+](Cc5ccccn5)C4)CC3)nc2[n-]1 ZINC001164710865 720131231 /nfs/dbraw/zinc/13/12/31/720131231.db2.gz FEYBOYOYMXRFOG-OAQYLSRUSA-N 0 3 463.582 3.642 20 0 JHADHN COC(=O)/C=C/c1ccc(NC(=O)C(C)(C)C)c(N2CC[C@@H]3[C@H]2CCN3Cc2cccnc2)n1 ZINC001164735684 720416710 /nfs/dbraw/zinc/41/67/10/720416710.db2.gz XNAROPAAFVEXLF-OVEVWVGXSA-N 0 3 463.582 3.501 20 0 JHADHN FC(F)(c1cc(Cl)nc(-c2ccccn2)n1)N1CCCn2cnc(CNC3CCC3)c2C1 ZINC001164844338 720740417 /nfs/dbraw/zinc/74/04/17/720740417.db2.gz PXOIVIISWIGFJQ-UHFFFAOYSA-N 0 3 459.932 3.986 20 0 JHADHN COCc1nc2scc(-c3ccccc3)c2c(N2CCN3C[C@@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164737896 720785554 /nfs/dbraw/zinc/78/55/54/720785554.db2.gz DKOZQXPZUYGVOD-MOPGFXCFSA-N 0 3 474.590 3.637 20 0 JHADHN Cc1cc2c(ncnc2N2CCn3c(CN(C)C(C)C)cnc3[C@@H]2C)n1S(=O)(=O)c1ccccc1 ZINC001164858551 720939954 /nfs/dbraw/zinc/93/99/54/720939954.db2.gz JBJZSFBNKOHGEX-IBGZPJMESA-N 0 3 493.637 3.595 20 0 JHADHN C[C@@H]1CCCCN1c1nc2ccccc2nc1N1CCN2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164878216 721141430 /nfs/dbraw/zinc/14/14/30/721141430.db2.gz PRSHYMJHSZAMQQ-AKIFATBCSA-N 0 3 458.610 3.883 20 0 JHADHN COc1ccc(Cc2c(C)nc(N3CCN4C[C@@H](OCc5cccnc5)C[C@@H]4C3)nc2C)cc1 ZINC001164872592 721177740 /nfs/dbraw/zinc/17/77/40/721177740.db2.gz HVIDZXUHXQFHDL-NOZRDPDXSA-N 0 3 459.594 3.568 20 0 JHADHN Clc1cccc(COc2cncc(N3CCN4C[C@H](OCc5cccnc5)C[C@@H]4C3)n2)c1 ZINC001164881216 721183154 /nfs/dbraw/zinc/18/31/54/721183154.db2.gz ZZLJQZWIPGGOSK-FGZHOGPDSA-N 0 3 451.958 3.584 20 0 JHADHN Cc1c(C)n(Cc2ccccc2)c2ncnc(N3C[C@@H]4CCN(Cc5cnn(C)c5)C[C@H]4C3)c12 ZINC001164766066 721200419 /nfs/dbraw/zinc/20/04/19/721200419.db2.gz IVSSPVQHKNSHKL-ZEQRLZLVSA-N 0 3 455.610 3.788 20 0 JHADHN Cn1cc(CN2CC[C@H]3CN(c4nc(CN5CCCC5)nc5sc6c(c54)CCCC6)C[C@H]3C2)cn1 ZINC001164767710 721201071 /nfs/dbraw/zinc/20/10/71/721201071.db2.gz KLAOHWGGUXNRLB-LEWJYISDSA-N 0 3 491.709 3.858 20 0 JHADHN COc1cccc(-c2nc3ccccc3c(N3C[C@H]4CCN(Cc5cnn(C)c5)C[C@H]4C3)n2)c1 ZINC001164771501 721219792 /nfs/dbraw/zinc/21/97/92/721219792.db2.gz QPWHSFCZZWWMBL-YADHBBJMSA-N 0 3 454.578 3.997 20 0 JHADHN Fc1cccc(O[C@H]2C[C@@H]3CN(c4ncnc5c4CCN(Cc4ccccc4)C5)CCN3C2)c1 ZINC001164908107 721529250 /nfs/dbraw/zinc/52/92/50/721529250.db2.gz ORWNGLDDXZHQKP-VWNXMTODSA-N 0 3 459.569 3.516 20 0 JHADHN O=C(c1cccnc1N1CCN2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1)N1CCc2ccccc21 ZINC001164909275 721552549 /nfs/dbraw/zinc/55/25/49/721552549.db2.gz UDKUJJFFYPEFAF-GGAORHGYSA-N 0 3 458.537 3.766 20 0 JHADHN COc1ccc(-c2ccc(N3CCN4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)nn2)c(OC)c1OC ZINC001164906496 721562078 /nfs/dbraw/zinc/56/20/78/721562078.db2.gz JRIUGJYJYZWHOI-AZUAARDMSA-N 0 3 480.540 3.650 20 0 JHADHN CCOC(=O)c1ccc2ncnc(N3CCC(F)(F)[C@@]4(CCN(Cc5ccccn5)C4)C3)c2c1 ZINC001164907733 721705827 /nfs/dbraw/zinc/70/58/27/721705827.db2.gz SYRXWALFEWYAAZ-XMMPIXPASA-N 0 3 467.520 3.939 20 0 JHADHN FC(F)(c1ccc2c(Cl)ncnc2c1)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164982766 722105203 /nfs/dbraw/zinc/10/52/03/722105203.db2.gz OVOVISCJTPIRQO-LAUBAEHRSA-N 0 3 459.928 3.950 20 0 JHADHN c1ccc(CN2CCc3nc(N4CC[C@@H]5CN(Cc6cccnc6)CCO[C@@H]5C4)ccc3C2)cc1 ZINC001164974949 722109030 /nfs/dbraw/zinc/10/90/30/722109030.db2.gz JDIRNMNLTIBDSD-IXCJQBJRSA-N 0 3 469.633 3.762 20 0 JHADHN c1ccc(CN2CCc3nc(N4CC[C@H]5CN(Cc6cccnc6)CCO[C@H]5C4)ccc3C2)cc1 ZINC001164974950 722109072 /nfs/dbraw/zinc/10/90/72/722109072.db2.gz JDIRNMNLTIBDSD-XCZPVHLTSA-N 0 3 469.633 3.762 20 0 JHADHN CCC[C@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CCc2nccs2)CCN1CCOC ZINC001306621933 1069311349 /nfs/dbraw/zinc/31/13/49/1069311349.db2.gz GLMGPSRONJMEKE-SFHVURJKSA-N 0 3 476.050 3.630 20 0 JHADHN CCC[C@H]1CN(c2nnc(-c3cccc(C)n3)n2C[C@](C)(O)c2cc(C)oc2C)CCN1CCOC ZINC001306624192 1069317542 /nfs/dbraw/zinc/31/75/42/1069317542.db2.gz MLJVJBJGMUGAJO-CUNXSJBXSA-N 0 3 496.656 3.703 20 0 JHADHN CCC[C@@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CC2CC(F)(F)C2)CCN1CCOC ZINC001306624515 1069317889 /nfs/dbraw/zinc/31/78/89/1069317889.db2.gz ZCPARGAMHNZLOJ-GOSISDBHSA-N 0 3 468.980 3.976 20 0 JHADHN CCC[C@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CC2CC(F)(F)C2)CCN1CCOC ZINC001306624517 1069318262 /nfs/dbraw/zinc/31/82/62/1069318262.db2.gz ZCPARGAMHNZLOJ-SFHVURJKSA-N 0 3 468.980 3.976 20 0 JHADHN CCC[C@@H]1CN(c2nnc(CC(C)(C)C)n2C[C@H]2CCC[C@]3(CCOC3)O2)CCN1CCOC ZINC001306628100 1069325580 /nfs/dbraw/zinc/32/55/80/1069325580.db2.gz DEBARKCXXHYXTH-XLGIIRLISA-N 0 3 477.694 3.532 20 0 JHADHN CCC[C@@H]1CN(c2nnc(CC(C)(C)C)n2Cc2ccc(OC)c(F)c2)CCN1CCOC ZINC001306628551 1069327085 /nfs/dbraw/zinc/32/70/85/1069327085.db2.gz GOTNMQQUSFYKIS-HXUWFJFHSA-N 0 3 461.626 4.000 20 0 JHADHN COc1ccc([C@H](CNC(=O)NCCc2ccn(-c3ccc(F)cc3)n2)N2CCCC2)cc1 ZINC001311344949 1069331671 /nfs/dbraw/zinc/33/16/71/1069331671.db2.gz JKYYOPDUGUBTMI-DEOSSOPVSA-N 0 3 451.546 3.699 20 0 JHADHN CCC[C@H]1CN(c2nnc(CC(C)(C)C)n2C[C@H]2CCCn3cc(C)nc32)CCN1CCOC ZINC001306632003 1069333363 /nfs/dbraw/zinc/33/33/63/1069333363.db2.gz VROMGCVUSZLBLP-YADHBBJMSA-N 0 3 471.694 3.886 20 0 JHADHN CCN(C(=O)NC[C@H](c1ccc(F)cc1)N1CCOCC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001311366320 1069346668 /nfs/dbraw/zinc/34/66/68/1069346668.db2.gz BDVCMBVRTZJAAM-LOSJGSFVSA-N 0 3 454.590 3.505 20 0 JHADHN CCC[C@H]1CN(c2nnc(-c3ccccc3C)n2Cc2cccnc2OC)CCN1CCOC ZINC001306647873 1069360394 /nfs/dbraw/zinc/36/03/94/1069360394.db2.gz QAUUAMZKMYSHMX-QFIPXVFZSA-N 0 3 464.614 3.643 20 0 JHADHN CCCCCn1c(COc2ccccc2CC)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 ZINC001306657035 1069369851 /nfs/dbraw/zinc/36/98/51/1069369851.db2.gz XFIQSKNPRXHPPB-WIOPSUGQSA-N 0 3 496.700 3.989 20 0 JHADHN CC[C@@H]1CN(C(=O)NCCCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)CCCO1 ZINC001311453187 1069386122 /nfs/dbraw/zinc/38/61/22/1069386122.db2.gz ZHFZMQYGQOWLML-OAQYLSRUSA-N 0 3 456.553 3.818 20 0 JHADHN CSc1ccccc1OC[C@@H](O)CN(C(=O)N[C@@H]1CCN(Cc2ccccc2)C1)C(C)C ZINC001311578526 1069447480 /nfs/dbraw/zinc/44/74/80/1069447480.db2.gz ODVWBDJAKSELIY-YADHBBJMSA-N 0 3 457.640 3.843 20 0 JHADHN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCCN1C(=O)NCC1(N2CCSCC2)CCCC1 ZINC001311585155 1069451085 /nfs/dbraw/zinc/45/10/85/1069451085.db2.gz YBQIYTVSIPXLTH-RBUKOAKNSA-N 0 3 454.681 3.825 20 0 JHADHN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCCN1C(=O)NCC1(N2CCSCC2)CCCC1 ZINC001311585154 1069451200 /nfs/dbraw/zinc/45/12/00/1069451200.db2.gz YBQIYTVSIPXLTH-OALUTQOASA-N 0 3 454.681 3.825 20 0 JHADHN CCCN(C(=O)NCCCCN1CCN(Cc2ccccc2)CC1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC001311630850 1069478849 /nfs/dbraw/zinc/47/88/49/1069478849.db2.gz UUMAGQYCDMQFEK-GVAUOCQISA-N 0 3 456.675 3.820 20 0 JHADHN O=C(CCNC(=O)NC[C@@H]1CCCN1Cc1ccccc1)Nc1ccc(Br)cc1 ZINC001311654359 1069490204 /nfs/dbraw/zinc/49/02/04/1069490204.db2.gz PUERZXXFXKTNCA-FQEVSTJZSA-N 0 3 459.388 3.742 20 0 JHADHN CN(C)C[C@H](NC(=O)NCCC(=O)Nc1ccc(Br)cc1)c1ccc(F)cc1 ZINC001311652198 1069489729 /nfs/dbraw/zinc/48/97/29/1069489729.db2.gz HXLNRQSHMGZOFD-SFHVURJKSA-N 0 3 451.340 3.519 20 0 JHADHN C[C@@H]1CN(Cc2cccc(CNC(=O)N3CC[C@H](C)N(Cc4ccccc4)CC3)c2)CCO1 ZINC001311664101 1069493338 /nfs/dbraw/zinc/49/33/38/1069493338.db2.gz IAECMVVCDNITDB-XZOQPEGZSA-N 0 3 450.627 3.713 20 0 JHADHN CCN(C(=O)NC[C@@H](c1cccc(F)c1)N1CCOCC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001311761360 1069536350 /nfs/dbraw/zinc/53/63/50/1069536350.db2.gz JVQYQCQZXWZDHL-DQEYMECFSA-N 0 3 454.590 3.505 20 0 JHADHN CN(C(=O)NC1CCN(CC2CCCCC2)CC1)[C@@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC001311791030 1069546521 /nfs/dbraw/zinc/54/65/21/1069546521.db2.gz LUEVKBKRQRKQKP-HXUWFJFHSA-N 0 3 454.036 3.855 20 0 JHADHN CCOc1cc(C)ccc1Cn1c([C@H](C)CC)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 ZINC001314156650 1069629051 /nfs/dbraw/zinc/62/90/51/1069629051.db2.gz IVWUAWQGDAYGOO-OTNCWRBYSA-N 0 3 496.700 3.926 20 0 JHADHN CCCN(Cc1ccc(F)cc1F)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1(N(C)C)CCCC1 ZINC001306812955 1069633806 /nfs/dbraw/zinc/63/38/06/1069633806.db2.gz JLQZHWAVVCKACO-IBGZPJMESA-N 0 3 495.640 3.749 20 0 JHADHN Cc1cc(NC(=O)c2cccc(NC(=O)[C@@H]3CCCO3)c2)cc(N2CCN(C(C)C)CC2)c1 ZINC001306826340 1069645779 /nfs/dbraw/zinc/64/57/79/1069645779.db2.gz LALFKPOSSINACN-DEOSSOPVSA-N 0 3 450.583 3.895 20 0 JHADHN Cc1ccc(CNC(=O)C2CCN(C(=O)NC[C@@H](C)N(C)Cc3ccccc3)CC2)cc1F ZINC001311988638 1069652272 /nfs/dbraw/zinc/65/22/72/1069652272.db2.gz JJYIPGDFAPSVJR-HXUWFJFHSA-N 0 3 454.590 3.692 20 0 JHADHN COc1cc([C@@H](C)NC(=O)N[C@@H](CN2CCCCC2)c2ccccc2)ccc1S(C)(=O)=O ZINC001312011330 1069668242 /nfs/dbraw/zinc/66/82/42/1069668242.db2.gz HQFKKTZQUVRDAZ-NQIIRXRSSA-N 0 3 459.612 3.686 20 0 JHADHN O=C(Nc1ccc(F)cc1)N[C@@H]1CCN(C(=O)N[C@H](CN2CCCCC2)c2ccccc2)C1 ZINC001312013231 1069670293 /nfs/dbraw/zinc/67/02/93/1069670293.db2.gz SJIRINZDALOHOD-DHIUTWEWSA-N 0 3 453.562 3.958 20 0 JHADHN CCOc1ccc(-c2nnc(N3C[C@H](C)N(CC)C[C@H]3C)n2CC2(O)CCCCC2)cc1OC ZINC001314168646 1069673033 /nfs/dbraw/zinc/67/30/33/1069673033.db2.gz QVJHJWGYCQVMPE-VQTJNVASSA-N 0 3 471.646 3.967 20 0 JHADHN CCOc1ccc(-c2nnc(N3C[C@H](C)N(CC)C[C@@H]3C)n2Cc2nnc(CC)s2)cc1OC ZINC001314170079 1069679213 /nfs/dbraw/zinc/67/92/13/1069679213.db2.gz YCODBQBOBMUKBZ-IRXDYDNUSA-N 0 3 485.658 3.734 20 0 JHADHN NC(=O)C1(N2CCCCC2)CCN(C(=O)N[C@H](Cc2ccccc2)c2ccccc2F)CC1 ZINC001312033916 1069685584 /nfs/dbraw/zinc/68/55/84/1069685584.db2.gz OWHLMTZKHJKENC-HSZRJFAPSA-N 0 3 452.574 3.625 20 0 JHADHN COc1ccccc1[C@@H](NC(=O)N1CCC(N2CCN(C)CC2)CC1)c1ccccc1Cl ZINC001312071099 1069704798 /nfs/dbraw/zinc/70/47/98/1069704798.db2.gz FFYKAYOGOOCQHM-DEOSSOPVSA-N 0 3 457.018 3.859 20 0 JHADHN COc1ccccc1[C@H](NC(=O)N1CCC(N2CCN(C)CC2)CC1)c1ccccc1Cl ZINC001312071100 1069704840 /nfs/dbraw/zinc/70/48/40/1069704840.db2.gz FFYKAYOGOOCQHM-XMMPIXPASA-N 0 3 457.018 3.859 20 0 JHADHN CN(C)C[C@@H]1COC2(CCCC2)CN1C(=O)NCC1(c2ccccc2Br)CC1 ZINC001312078586 1069710400 /nfs/dbraw/zinc/71/04/00/1069710400.db2.gz MJXYOTUOODTWQW-QGZVFWFLSA-N 0 3 450.421 3.766 20 0 JHADHN CCOc1ccc([C@@H]2CCCN2c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](C)N(CC)CC)cc1 ZINC001314180968 1069724657 /nfs/dbraw/zinc/72/46/57/1069724657.db2.gz UJOSMSRZUORKDN-RRPUWOKSSA-N 0 3 489.686 3.651 20 0 JHADHN CCOc1ccc(CCn2c(N3CC[C@@H](N4CCN(CC)CC4)C3)nnc2C(C)(C)C)cc1OCC ZINC001314182361 1069728570 /nfs/dbraw/zinc/72/85/70/1069728570.db2.gz IOQVROMBBUQGMI-HSZRJFAPSA-N 0 3 498.716 3.832 20 0 JHADHN CC[C@@H]1Oc2cc([C@H](C)NC(=O)N(CCN(C)C)Cc3cccc(OC)c3)ccc2NC1=O ZINC001312135084 1069740865 /nfs/dbraw/zinc/74/08/65/1069740865.db2.gz MPFWAMSCHFKVGM-JTSKRJEESA-N 0 3 454.571 3.639 20 0 JHADHN COc1cc(Cl)c(C)cc1NC(=O)CCNC(=O)N[C@H]1CCN(Cc2ccc(C)cc2)C1 ZINC001312156028 1069754626 /nfs/dbraw/zinc/75/46/26/1069754626.db2.gz ZKOXWUSPUKUGDV-IBGZPJMESA-N 0 3 458.990 3.868 20 0 JHADHN CCOc1ccc(O[C@H](C)c2nnc(N3CCN(C4CCOCC4)CC3)n2C[C@@H](C)SC)cc1 ZINC001314195631 1069771061 /nfs/dbraw/zinc/77/10/61/1069771061.db2.gz DODMLLUZVMZCPQ-WOJBJXKFSA-N 0 3 489.686 3.869 20 0 JHADHN CCOc1cccc(CCn2c(C(C)C)nnc2N2CC[C@H](N3CCN(C(C)C)CC3)C2)c1 ZINC001314200906 1069793169 /nfs/dbraw/zinc/79/31/69/1069793169.db2.gz SFGIRIDQXBAEBU-QHCPKHFHSA-N 0 3 454.663 3.648 20 0 JHADHN CCOc1cccc(CCn2c(C(C)C)nnc2N2CC[C@@H](N3CCN(C(C)C)CC3)C2)c1 ZINC001314200905 1069793366 /nfs/dbraw/zinc/79/33/66/1069793366.db2.gz SFGIRIDQXBAEBU-HSZRJFAPSA-N 0 3 454.663 3.648 20 0 JHADHN CCCN1CCC(N(C)c2nnc(-c3ccc(OC)cc3)n2CC[S@](=O)C(C)(C)C)CC1 ZINC001307049438 1069797471 /nfs/dbraw/zinc/79/74/71/1069797471.db2.gz KUGPUEXEPOLLGF-YTTGMZPUSA-N 0 3 461.676 3.812 20 0 JHADHN CCCN1CCC(N(C)c2nnc(COc3ccc(F)cc3)n2CC[S@@](=O)C(C)(C)C)CC1 ZINC001307051688 1069804834 /nfs/dbraw/zinc/80/48/34/1069804834.db2.gz RYEDVNNMIZKRFM-MGBGTMOVSA-N 0 3 479.666 3.854 20 0 JHADHN CCCN1CCC(N(C)c2nnc(-c3cn(C)c4ccccc34)n2CC[S@](=O)CC)CC1 ZINC001307052040 1069806335 /nfs/dbraw/zinc/80/63/35/1069806335.db2.gz QPFUSUNFYIXUML-JGCGQSQUSA-N 0 3 456.660 3.516 20 0 JHADHN C[C@@H]1C[C@@H](NC(=O)N2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)CN1Cc1ccccc1 ZINC001312254868 1069812539 /nfs/dbraw/zinc/81/25/39/1069812539.db2.gz UTNLSUMSCZDROV-DYESRHJHSA-N 0 3 455.990 3.758 20 0 JHADHN CC[C@H](C)N[C@H](CNC(=O)NC[C@@H]1[C@H](C)OC(C)(C)N1C(=O)OC(C)(C)C)c1ccco1 ZINC001312269320 1069826501 /nfs/dbraw/zinc/82/65/01/1069826501.db2.gz CSUIGVPNAXGPIX-WNRNVDISSA-N 0 3 452.596 3.769 20 0 JHADHN CCOc1ccccc1OCc1nnc(N2CCN(CCC(C)(C)C)CC2)n1CC1(C)COC1 ZINC001314226500 1069896215 /nfs/dbraw/zinc/89/62/15/1069896215.db2.gz VIYBRKPVPVYTJK-UHFFFAOYSA-N 0 3 471.646 3.851 20 0 JHADHN CCOc1ccccc1OCc1nnc(N2CCN(C(C)(C)C)CC2)n1Cc1ccc(N(C)C)nc1 ZINC001314226733 1069897774 /nfs/dbraw/zinc/89/77/74/1069897774.db2.gz HAEOIBQKCRDXJR-UHFFFAOYSA-N 0 3 493.656 3.686 20 0 JHADHN CCOC1CC(CCn2c(N(C)C3CCN(CCn4cccn4)CC3)nnc2C(C)(C)C)C1 ZINC001314237920 1069936828 /nfs/dbraw/zinc/93/68/28/1069936828.db2.gz IKMWTBWHAWRRIU-UHFFFAOYSA-N 0 3 457.667 3.578 20 0 JHADHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N1C[C@]2(C)CN(C(=O)OC(C)(C)C)C[C@]2(C)C1 ZINC001312456364 1069950621 /nfs/dbraw/zinc/95/06/21/1069950621.db2.gz OMNLIKKXMIRMNV-JJOHKHTFSA-N 0 3 456.631 3.795 20 0 JHADHN CCO[C@@H]1C[C@@H](N(C)c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCN2CCCC2)C1(C)C ZINC001314247510 1069967134 /nfs/dbraw/zinc/96/71/34/1069967134.db2.gz WGQTWMSDZYKZAK-NHCUHLMSSA-N 0 3 489.064 3.597 20 0 JHADHN CCO[C@H]1C[C@@H](N(C)c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCN2CCCC2)C1(C)C ZINC001314247511 1069967203 /nfs/dbraw/zinc/96/72/03/1069967203.db2.gz WGQTWMSDZYKZAK-RTWAWAEBSA-N 0 3 489.064 3.597 20 0 JHADHN COC(=O)c1csc(-c2cccc(CNC(=O)N(CCN(C)C)Cc3ccsc3)c2)n1 ZINC001312494252 1069971776 /nfs/dbraw/zinc/97/17/76/1069971776.db2.gz ABRCTSFJMAENHZ-UHFFFAOYSA-N 0 3 458.609 3.932 20 0 JHADHN CCO[C@H]1C[C@@H](N(C)c2nnc(CCc3ccccc3)n2CCN2CCN(C)C(C)(C)C2)C1(C)C ZINC001314248343 1069970156 /nfs/dbraw/zinc/97/01/56/1069970156.db2.gz DEEYCPDBFYSETQ-RPWUZVMVSA-N 0 3 482.717 3.729 20 0 JHADHN CC(C)(C)OC(=O)N1CCC([C@H](O)CN2CCC(C(=O)c3cc(F)ccc3F)CC2)CC1 ZINC001307414153 1069972396 /nfs/dbraw/zinc/97/23/96/1069972396.db2.gz DJFKDSKAUHXOAY-OAQYLSRUSA-N 0 3 452.542 3.868 20 0 JHADHN O=C(NC[C@@H]1CN(Cc2ccccc2)CCCO1)N1CCC(Oc2ccc(F)cc2F)CC1 ZINC001312501274 1069976667 /nfs/dbraw/zinc/97/66/67/1069976667.db2.gz UEZXNJAKFPPYQE-JOCHJYFZSA-N 0 3 459.537 3.809 20 0 JHADHN CC(C)(C)OC(=O)N1CCN(C(=O)[C@@H]2CCCN(CCc3c(F)cccc3Cl)C2)CC1 ZINC001307424812 1069978441 /nfs/dbraw/zinc/97/84/41/1069978441.db2.gz RVULNPQLKOJXNC-QGZVFWFLSA-N 0 3 453.986 3.813 20 0 JHADHN CCO[C@@H]1C[C@H](N(C)c2nnc(-c3cnccn3)n2C[C@H](c2cccc(F)c2)N(C)C)C1(C)C ZINC001314255985 1069990811 /nfs/dbraw/zinc/99/08/11/1069990811.db2.gz JRMHCMWLFHHYOL-BHIFYINESA-N 0 3 467.593 3.817 20 0 JHADHN COCCC1(CNC(=O)N2CCC[C@H](CN3CCN(c4ccccn4)CC3)C2)CCCCC1 ZINC001312560160 1070014432 /nfs/dbraw/zinc/01/44/32/1070014432.db2.gz UQGDIAMTFAPXMY-HSZRJFAPSA-N 0 3 457.663 3.612 20 0 JHADHN CCO[C@H]1CCCN(c2nnc(-c3ccc(CC)cc3)n2C[C@@H](C)N2CCN(CC)CC2)C1 ZINC001314268270 1070019794 /nfs/dbraw/zinc/01/97/94/1070019794.db2.gz GSLWARRTXMLSGF-QPPBQGQZSA-N 0 3 454.663 3.539 20 0 JHADHN CO[C@@H](C)c1nc(CN2CCCN(C[C@H](O)Cc3ccc(C(F)(F)F)cc3)CC2)cs1 ZINC001307510155 1070025601 /nfs/dbraw/zinc/02/56/01/1070025601.db2.gz NTEKYBIIQCKQFA-OXJNMPFZSA-N 0 3 457.562 3.981 20 0 JHADHN CCO[C@H]1CCCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H](c2ccc(C)cc2)N(C)C)C1 ZINC001314274305 1070030973 /nfs/dbraw/zinc/03/09/73/1070030973.db2.gz HEDSFTGOODWVCA-ZEQRLZLVSA-N 0 3 465.646 3.756 20 0 JHADHN COC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)N(C)CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC001307573547 1070060216 /nfs/dbraw/zinc/06/02/16/1070060216.db2.gz JQIZACVPCQQNSX-PZJWPPBQSA-N 0 3 452.382 3.558 20 0 JHADHN CCO[C@H](C)c1nc(CN2CCN(C(=O)N[C@@H](C)[C@@H](c3ccccc3)N(C)C)CC2)cs1 ZINC001312657769 1070066599 /nfs/dbraw/zinc/06/65/99/1070066599.db2.gz NMMBAUYRILICQM-JQVVWYNYSA-N 0 3 459.660 3.759 20 0 JHADHN CC(C)(C)c1ccc(/C=C2\SC(=O)N(CCNC(=O)CN3CC[C@H](C4CC4)C3)C2=O)cc1 ZINC001307589040 1070067679 /nfs/dbraw/zinc/06/76/79/1070067679.db2.gz RAEIGEMPNMDMNY-BJLUOBIUSA-N 0 3 455.624 3.869 20 0 JHADHN CC(C)(C)OC(=O)N1CCC[C@](O)(CN2CCN(c3ccc(C(F)(F)F)cc3)CC2)CC1 ZINC001307599650 1070073921 /nfs/dbraw/zinc/07/39/21/1070073921.db2.gz PAIDWERIMCSLGF-JOCHJYFZSA-N 0 3 457.537 3.980 20 0 JHADHN Cc1ccc(S(N)(=O)=O)cc1NC(=O)CN[C@@H](Cc1ccc(Cl)cc1)c1ccccc1 ZINC001307621952 1070084224 /nfs/dbraw/zinc/08/42/24/1070084224.db2.gz AKPPUSJYUFXNMO-QFIPXVFZSA-N 0 3 457.983 3.808 20 0 JHADHN C[C@@H](N[C@H](C)c1ccc2c(c1)CCC2)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC001307634610 1070093005 /nfs/dbraw/zinc/09/30/05/1070093005.db2.gz DVKQYMZBGUKZJQ-HUUCEWRRSA-N 0 3 450.004 3.757 20 0 JHADHN CNS(=O)(=O)c1ccc(CN[C@H](Cc2ccccc2C)c2ccc(OC)c(OC)c2)cc1 ZINC001307640605 1070096082 /nfs/dbraw/zinc/09/60/82/1070096082.db2.gz SEULZCGYYIEOIB-HSZRJFAPSA-N 0 3 454.592 3.994 20 0 JHADHN C[C@@H](NCC(=O)N1CCCc2cc(S(=O)(=O)N(C)C)ccc21)c1cc2ccccc2s1 ZINC001307690160 1070128282 /nfs/dbraw/zinc/12/82/82/1070128282.db2.gz QHWOILFANNUMLX-MRXNPFEDSA-N 0 3 457.621 3.782 20 0 JHADHN CCOCc1nnc(N2CCC(C)(COC)CC2)n1CC(C)(C)N1CCc2ccccc2C1 ZINC001314331772 1070125295 /nfs/dbraw/zinc/12/52/95/1070125295.db2.gz IWGITSAXAOIGKJ-UHFFFAOYSA-N 0 3 455.647 3.904 20 0 JHADHN CCOc1cccc(N2CCN(C(=O)NC[C@@H](c3ccc(CC(C)C)cc3)N(C)C)CC2)n1 ZINC001312819058 1070140570 /nfs/dbraw/zinc/14/05/70/1070140570.db2.gz UKDFCHNPHCERLH-QHCPKHFHSA-N 0 3 453.631 3.813 20 0 JHADHN Cc1ccc(CN2CCCN(C(=O)CN(Cc3cccs3)[C@@H]3C=C[C@H](CO)C3)CC2)cc1 ZINC001307745218 1070162841 /nfs/dbraw/zinc/16/28/41/1070162841.db2.gz CTCWUPMYJKOAGX-BJKOFHAPSA-N 0 3 453.652 3.530 20 0 JHADHN CC(C)(C)OC(=O)N1CC[C@H]([C@@H]2CCCN(CC(=O)NCCCOC3CCCCC3)C2)C1 ZINC001307773095 1070177860 /nfs/dbraw/zinc/17/78/60/1070177860.db2.gz KMSJDGFPMDBBJZ-RTWAWAEBSA-N 0 3 451.652 3.811 20 0 JHADHN CCN1CCN(c2ccc(NC(=O)CN[C@@H](c3ccccc3)[C@H](O)c3ccccc3)cc2)CC1 ZINC001307809716 1070193244 /nfs/dbraw/zinc/19/32/44/1070193244.db2.gz FAWHUKAOQKLJMO-WUFINQPMSA-N 0 3 458.606 3.832 20 0 JHADHN CCN(CC(=O)Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2)[C@@H]1CCOC(C)(C)C1 ZINC001307810586 1070194164 /nfs/dbraw/zinc/19/41/64/1070194164.db2.gz CYNZVPLKDJFOBM-GOSISDBHSA-N 0 3 453.539 3.886 20 0 JHADHN CCOCc1nnc(N2CCC[C@H](c3nc(C)no3)C2)n1C[C@H](c1ccc(CC)cc1)N(C)C ZINC001314366154 1070198157 /nfs/dbraw/zinc/19/81/57/1070198157.db2.gz OYCRDBHMXJVZDW-FCHUYYIVSA-N 0 3 467.618 3.755 20 0 JHADHN CNC(=O)[C@@H](NC(=O)CNC1(c2ccc(Br)cc2)CCCCC1)c1ccccc1 ZINC001307922827 1070244063 /nfs/dbraw/zinc/24/40/63/1070244063.db2.gz BHAFSAQSGPGZMZ-NRFANRHFSA-N 0 3 458.400 3.802 20 0 JHADHN O=C(N1CCC[C@@H](C2CCN([C@H]3CCCN(Cc4ccccc4)C3=O)CC2)C1)C(F)(F)F ZINC001307939985 1070250793 /nfs/dbraw/zinc/25/07/93/1070250793.db2.gz BTZDGLBDUUEEQO-RTWAWAEBSA-N 0 3 451.533 3.691 20 0 JHADHN CCOCc1nnc(N2CCN(CCC(C)(C)C)CC2)n1CC(=O)Nc1c(C)cccc1C ZINC001314398914 1070258651 /nfs/dbraw/zinc/25/86/51/1070258651.db2.gz NFYHEUJOUGRFAZ-UHFFFAOYSA-N 0 3 456.635 3.628 20 0 JHADHN CCOCc1nnc(N2CCO[C@@H](Cc3ccccc3)C2)n1C[C@@H](c1cccs1)N(C)C ZINC001314409381 1070274279 /nfs/dbraw/zinc/27/42/79/1070274279.db2.gz NONCVHHQIHWMIV-SFTDATJTSA-N 0 3 455.628 3.627 20 0 JHADHN COc1ccc(CN2CCN(C(=O)NC[C@H]3CCCCN3Cc3ccccc3)CC2)cc1F ZINC001313164502 1070275385 /nfs/dbraw/zinc/27/53/85/1070275385.db2.gz MZDYOZNJCZTNOP-HSZRJFAPSA-N 0 3 454.590 3.716 20 0 JHADHN O=C(NCCC1(O)CCN(c2ccccc2)CC1)NC[C@@H]1CCCCN1Cc1ccccc1 ZINC001313170344 1070278867 /nfs/dbraw/zinc/27/88/67/1070278867.db2.gz BKVBFOZVOLXXBK-VWLOTQADSA-N 0 3 450.627 3.762 20 0 JHADHN CCOC[C@@H]1CCCN(c2nnc(-c3ccc[nH]3)n2C[C@H](c2cccc(OC)c2)N(C)C)C1 ZINC001314421759 1070294890 /nfs/dbraw/zinc/29/48/90/1070294890.db2.gz PTKWOECNNLSXHU-AUSIDOKSSA-N 0 3 452.603 3.838 20 0 JHADHN COc1ccc([C@@H]2CCCN2C(=O)CN2C[C@@H](C(=O)OC(C)(C)C)[C@H](C3CC3)C2)c(OC)c1 ZINC001308063229 1070298117 /nfs/dbraw/zinc/29/81/17/1070298117.db2.gz BEYJLXKPNBKZIB-BDTNDASRSA-N 0 3 458.599 3.667 20 0 JHADHN COC(=O)[C@H](NCCCN1CCN(c2ccccc2)CC1)c1ccccc1OC(F)(F)F ZINC001308082123 1070306669 /nfs/dbraw/zinc/30/66/69/1070306669.db2.gz CINJRWFNIBEIQC-OAQYLSRUSA-N 0 3 451.489 3.601 20 0 JHADHN CN1C(=O)C[C@H](NC[C@@H]2CC3(CO2)CCN(C(=O)OC(C)(C)C)CC3)[C@H]1c1ccc(F)c(F)c1 ZINC001308083546 1070307429 /nfs/dbraw/zinc/30/74/29/1070307429.db2.gz JHDNNBWEIJGUOX-RBDMOPTHSA-N 0 3 479.568 3.632 20 0 JHADHN O=C(NCc1cc(Br)ccc1Cl)NC[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC001313303623 1070320493 /nfs/dbraw/zinc/32/04/93/1070320493.db2.gz ZHBRVZFQFRUTFZ-FQEVSTJZSA-N 0 3 452.780 3.539 20 0 JHADHN CCC[C@@](C)(NCC(=O)NCCN1C(=O)S/C(=C\c2cccnc2)C1=O)c1ccccc1 ZINC001308155346 1070330915 /nfs/dbraw/zinc/33/09/15/1070330915.db2.gz YFBMTWFDHLOIIR-UJWNWPGJSA-N 0 3 452.580 3.539 20 0 JHADHN CCOCCCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C2CCOCC2)C[C@H]1C ZINC001314460362 1070366682 /nfs/dbraw/zinc/36/66/82/1070366682.db2.gz YOVJODDZCNMOOI-LJQANCHMSA-N 0 3 462.038 3.638 20 0 JHADHN CCCN1CCCN(c2nnc(CSc3ccc(C)cc3)n2CCN2CCCCC2)CC1=O ZINC001313447485 1070367428 /nfs/dbraw/zinc/36/74/28/1070367428.db2.gz BZRFYJMJVNGYPV-UHFFFAOYSA-N 0 3 470.687 3.813 20 0 JHADHN CCOCCCn1c(CSc2ccc(Cl)cc2)nnc1N1CCN(C2CCOCC2)CC1 ZINC001314461720 1070368917 /nfs/dbraw/zinc/36/89/17/1070368917.db2.gz KINRTPRSFNVXJK-UHFFFAOYSA-N 0 3 480.078 3.951 20 0 JHADHN O=c1cc(N2CC[C@H]([NH2+]Cc3ccc(OCc4ccccc4)c(Br)c3)C2)nc[n-]1 ZINC001308543421 1070387854 /nfs/dbraw/zinc/38/78/54/1070387854.db2.gz IRVMVDVKJXIQDF-SFHVURJKSA-N 0 3 455.356 3.892 20 0 JHADHN CC(C)(C)OC(=O)Nc1ccc(CNC[C@@H](CO)Cc2ccccc2Br)nn1 ZINC001308685654 1070418353 /nfs/dbraw/zinc/41/83/53/1070418353.db2.gz LDJIODRUXIQGML-AWEZNQCLSA-N 0 3 451.365 3.527 20 0 JHADHN CC(C)(C)OC(=O)N1CCN([C@H]2CCCN(Cc3cccc(-c4ccccn4)c3)C2)C(=O)C1 ZINC001308701966 1070421793 /nfs/dbraw/zinc/42/17/93/1070421793.db2.gz QOOHCHMMAOTRSH-QFIPXVFZSA-N 0 3 450.583 3.792 20 0 JHADHN CC(=O)N(c1nc(CN2CCN(C3CCOCC3)C[C@@H]2C)cs1)c1ccc(F)cc1F ZINC001308728261 1070426844 /nfs/dbraw/zinc/42/68/44/1070426844.db2.gz NEJFUBUNYFPWDO-HNNXBMFYSA-N 0 3 450.555 3.791 20 0 JHADHN COCO[C@@H](C)c1cc(F)c(CN2CCC[C@H](N3CCOCC3)CC2)cc1Br ZINC001308841842 1070446635 /nfs/dbraw/zinc/44/66/35/1070446635.db2.gz VGVNSSLUMJUVLQ-WMZOPIPTSA-N 0 3 459.400 3.956 20 0 JHADHN CC(C)(C)OC(=O)NC[C@H]1CC[C@H](NCc2cc(C3CN(C(=O)OC(C)(C)C)C3)no2)C1 ZINC001308820342 1070443656 /nfs/dbraw/zinc/44/36/56/1070443656.db2.gz JWBKFNUACOCRBO-RDJZCZTQSA-N 0 3 450.580 3.792 20 0 JHADHN COC(=O)[C@H]1[C@@H](CN[C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2c2ccc(OC)c(F)c2)C1(F)F ZINC001308861372 1070450759 /nfs/dbraw/zinc/45/07/59/1070450759.db2.gz XWTOWRCTPPLBRT-JHDROBOHSA-N 0 3 472.504 3.571 20 0 JHADHN CCOC(=O)COc1c(Br)cc(C)cc1CN[C@H]1C[C@H](C(=O)OC(C)(C)C)C1 ZINC001308925772 1070460626 /nfs/dbraw/zinc/46/06/26/1070460626.db2.gz JBWRGDFPHHBWJE-KOMQPUFPSA-N 0 3 456.377 3.909 20 0 JHADHN CCS(=O)(=O)CCN(C)c1nnc(-c2cccnc2)n1C[C@H]1CCCCN(Cc2ccccc2)C1 ZINC001314523904 1070515642 /nfs/dbraw/zinc/51/56/42/1070515642.db2.gz JDNUOGNGMZDZIK-QHCPKHFHSA-N 0 3 496.681 3.513 20 0 JHADHN CC(=O)c1cc(S(=O)(=O)NC[C@H]2CCCN2CC2CCCCC2)ccc1Br ZINC001309156204 1070573537 /nfs/dbraw/zinc/57/35/37/1070573537.db2.gz IJMMFSGDIOIJMS-QGZVFWFLSA-N 0 3 457.434 3.975 20 0 JHADHN Cc1ccc([C@@H]2CN(Cc3ccccc3)C[C@H]2S(=O)(=O)NCc2ccn(C(C)C)n2)cc1 ZINC001309201467 1070602928 /nfs/dbraw/zinc/60/29/28/1070602928.db2.gz LQANCXKKWWZDIS-LOSJGSFVSA-N 0 3 452.624 3.860 20 0 JHADHN CCS[C@@H]1CC[C@@H](N(C)c2nnc(C(=O)Nc3ccccn3)n2CCN2CCCCC2)C1 ZINC001314587405 1070610993 /nfs/dbraw/zinc/61/09/93/1070610993.db2.gz AMONFPFXTJUNSA-RTBURBONSA-N 0 3 457.648 3.522 20 0 JHADHN Cc1ccc([C@@H]2CN(Cc3ccccc3)C[C@H]2S(=O)(=O)NC[C@@H](C)CC2(C)OCCO2)cc1 ZINC001309214466 1070613077 /nfs/dbraw/zinc/61/30/77/1070613077.db2.gz IKDOLLOJXVXUGQ-GVXSCFBNSA-N 0 3 472.651 3.672 20 0 JHADHN Cc1ccc([C@@H]2CN(Cc3ccccc3)C[C@H]2S(=O)(=O)NC[C@H](O)C2CCCCC2)cc1 ZINC001309223857 1070624118 /nfs/dbraw/zinc/62/41/18/1070624118.db2.gz UDTSAWVRVFWZBG-KKUQBAQOSA-N 0 3 456.652 3.824 20 0 JHADHN CCS[C@@H]1CC[C@H](N(C)c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](c2ccccc2)N(C)C)C1 ZINC001314592359 1070624657 /nfs/dbraw/zinc/62/46/57/1070624657.db2.gz DIMGUCLDQMHUEE-BQJUDKOJSA-N 0 3 456.660 3.643 20 0 JHADHN CCS[C@H]1CC[C@@H](N(C)c2nnc(Cc3csc(C)n3)n2CCN2CCN(C)C(C)(C)C2)C1 ZINC001314595181 1070634257 /nfs/dbraw/zinc/63/42/57/1070634257.db2.gz LUMFULMCSAGPMM-RTWAWAEBSA-N 0 3 491.775 3.770 20 0 JHADHN CCS[C@@H]1CCCCN(c2nnc(CN3CCCC3=O)n2CCN(C)Cc2ccccc2)C1 ZINC001314606070 1070663271 /nfs/dbraw/zinc/66/32/71/1070663271.db2.gz ACQNLWGBUHPNHA-JOCHJYFZSA-N 0 3 470.687 3.645 20 0 JHADHN CC(C)(O)[C@H]1CCCN1S(=O)(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1 ZINC001309328326 1070702897 /nfs/dbraw/zinc/70/28/97/1070702897.db2.gz AUXIFLIRXQVNPO-YTFSRNRJSA-N 0 3 463.043 3.873 20 0 JHADHN CN(C)C(=O)[C@H]1CCCN1CCCn1c(C2CCC2)nnc1N(C)Cc1nc(C(F)(F)F)cs1 ZINC001314627597 1070721091 /nfs/dbraw/zinc/72/10/91/1070721091.db2.gz AYZWGEANVLULHU-MRXNPFEDSA-N 0 3 499.607 3.600 20 0 JHADHN O=S(=O)([N-]CCc1ccc(OCC[NH+]2CCCC2)cc1)c1ccc(Br)s1 ZINC001309355522 1070718352 /nfs/dbraw/zinc/71/83/52/1070718352.db2.gz XBYPYPQHSMHGPE-UHFFFAOYSA-N 0 3 459.431 3.506 20 0 JHADHN CN(C)C(=O)[C@H]1CCCN1CCCn1c(N2CC[C@H](c3cccc(F)c3)C2)nnc1C(C)(C)C ZINC001314627939 1070722472 /nfs/dbraw/zinc/72/24/72/1070722472.db2.gz FLUVTQCGEWDNHP-RBBKRZOGSA-N 0 3 470.637 3.651 20 0 JHADHN CN(C)C(=O)[C@@H]1CCCN1CCCn1c(C2CCCC2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 ZINC001314628226 1070723713 /nfs/dbraw/zinc/72/37/13/1070723713.db2.gz HRBJHTXTNVMMSU-HFZDXXHNSA-N 0 3 474.694 3.520 20 0 JHADHN CCN(c1nnc(Cc2ccsc2)n1CC(C)(C)N1C[C@H](C)C[C@H](C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001313614245 1070737988 /nfs/dbraw/zinc/73/79/88/1070737988.db2.gz PVXCUVKJSJXDIK-SVFBPWRDSA-N 0 3 493.743 3.700 20 0 JHADHN CN(C)[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCC(N2CCCNC2=O)CC1)c1ccccc1 ZINC001314650213 1070758117 /nfs/dbraw/zinc/75/81/17/1070758117.db2.gz GXWCNYRSRQVSBU-QFIPXVFZSA-N 0 3 467.662 3.554 20 0 JHADHN CN(C)[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](OC(C)(C)C)C1)c1cccs1 ZINC001314649015 1070753572 /nfs/dbraw/zinc/75/35/72/1070753572.db2.gz KMHHKMMJIUHYRD-RTBURBONSA-N 0 3 457.648 3.827 20 0 JHADHN CN(C)[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](OC(C)(C)C)C1)c1cccs1 ZINC001314649014 1070753840 /nfs/dbraw/zinc/75/38/40/1070753840.db2.gz KMHHKMMJIUHYRD-RBUKOAKNSA-N 0 3 457.648 3.827 20 0 JHADHN CN(C)[C@H](Cn1c([C@H]2CCCCO2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1)c1cccs1 ZINC001314650936 1070759990 /nfs/dbraw/zinc/75/99/90/1070759990.db2.gz NISNXRDJQHKACX-IPMKNSEASA-N 0 3 490.674 3.988 20 0 JHADHN CN(C)[C@@H](Cn1c(N2CCN(Cc3cscn3)CC2)nnc1C(C)(C)C)c1cccs1 ZINC001314651177 1070760825 /nfs/dbraw/zinc/76/08/25/1070760825.db2.gz AXEIIVAUKIIBQL-SFHVURJKSA-N 0 3 459.689 3.719 20 0 JHADHN CN(C)[C@H](Cn1c(CNC(=O)c2cccs2)nnc1N(C)[C@H]1CCSC1)c1ccc(F)cc1 ZINC001314652140 1070762481 /nfs/dbraw/zinc/76/24/81/1070762481.db2.gz DNIXOHPAYHULHW-RBUKOAKNSA-N 0 3 488.658 3.653 20 0 JHADHN CN(C)[C@H](Cn1c([C@H]2CCCO2)nnc1N1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1)c1cccs1 ZINC001314652888 1070764823 /nfs/dbraw/zinc/76/48/23/1070764823.db2.gz JIOIWMQCFOSJRY-GUDVDZBRSA-N 0 3 490.674 3.940 20 0 JHADHN CN(C)[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1)c1cccs1 ZINC001314653266 1070765530 /nfs/dbraw/zinc/76/55/30/1070765530.db2.gz LIINTNFZYGTSEW-CEXWTWQISA-N 0 3 490.674 3.988 20 0 JHADHN CCN(C[C@H](O)c1ccc(C)cc1)c1nnc(-c2ccc(C)o2)n1CCN1CCN(C)C(C)(C)C1 ZINC001313637407 1070775510 /nfs/dbraw/zinc/77/55/10/1070775510.db2.gz FWZVKCJKZUUIQI-QHCPKHFHSA-N 0 3 480.657 3.741 20 0 JHADHN CN(C)[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCN(CC2CC2)CC1)c1c(F)cccc1F ZINC001314654325 1070768417 /nfs/dbraw/zinc/76/84/17/1070768417.db2.gz FZCCKRYKTWVKMD-NRFANRHFSA-N 0 3 460.617 3.980 20 0 JHADHN CCN(C[C@@H](O)c1ccc(C)cc1)c1nnc(-c2cnccn2)n1C[C@H](c1ccsc1)N(C)C ZINC001313641714 1070787982 /nfs/dbraw/zinc/78/79/82/1070787982.db2.gz YXFSUHZVYFDFRW-DHIUTWEWSA-N 0 3 477.638 3.968 20 0 JHADHN CCN(CC)[C@@H](C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(C(=O)c2cccs2)CC1 ZINC001313652247 1070828748 /nfs/dbraw/zinc/82/87/48/1070828748.db2.gz RECCTTQGDWKCJC-SFHVURJKSA-N 0 3 495.653 3.817 20 0 JHADHN CCN(CC)[C@@H](C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC2(CCCC2)C1 ZINC001313657482 1070855111 /nfs/dbraw/zinc/85/51/11/1070855111.db2.gz MEZWGKGNQGCSOG-IBGZPJMESA-N 0 3 459.660 3.849 20 0 JHADHN CCN(CC)[C@@H](C)Cn1c(-c2cc(C)nc3ccccc32)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 ZINC001313658339 1070858755 /nfs/dbraw/zinc/85/87/55/1070858755.db2.gz YXTMMLPMWSXEPM-VQTJNVASSA-N 0 3 484.670 3.545 20 0 JHADHN CCN(CC)[C@H](C)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 ZINC001313661582 1070868163 /nfs/dbraw/zinc/86/81/63/1070868163.db2.gz YDWXJYNVSBQLNS-CTNGQTDRSA-N 0 3 484.670 3.627 20 0 JHADHN CCN(CC)[C@@H](Cn1c(C(C)C)nnc1N1CCN([C@H](C)c2nc(C)no2)CC1)c1ccco1 ZINC001313664220 1070875361 /nfs/dbraw/zinc/87/53/61/1070875361.db2.gz LILWZTUMNIRYGQ-QUCCMNQESA-N 0 3 470.622 3.652 20 0 JHADHN Cc1ccc([C@@H]2CN(Cc3ccccc3)C[C@H]2S(=O)(=O)N2CCC[C@@H](CCO)CC2)cc1 ZINC001309595283 1070875677 /nfs/dbraw/zinc/87/56/77/1070875677.db2.gz BAGXRWOGNIFXCZ-ZSQFBXSQSA-N 0 3 456.652 3.777 20 0 JHADHN CCN(CC)[C@@H](Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCN(C)C(=O)C1)c1ccco1 ZINC001313666464 1070883848 /nfs/dbraw/zinc/88/38/48/1070883848.db2.gz XBUXQLVPHKXKNC-YADHBBJMSA-N 0 3 494.640 3.989 20 0 JHADHN CCN(CC)[C@@H](Cn1c(C)nnc1N1CC[C@H](NC(=O)Nc2ccc(F)cc2)C1)c1ccco1 ZINC001313666781 1070885034 /nfs/dbraw/zinc/88/50/34/1070885034.db2.gz XPXRPLQILBMCBJ-SFTDATJTSA-N 0 3 469.565 3.802 20 0 JHADHN CCN(CC)[C@H](C)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 ZINC001313668399 1070892299 /nfs/dbraw/zinc/89/22/99/1070892299.db2.gz QMBDMTRPONOJAK-WIYYLYMNSA-N 0 3 498.093 3.644 20 0 JHADHN CCN(CC)[C@@H](Cn1c(-c2cnccn2)nnc1N1CCC[C@H](OCC(F)(F)F)C1)c1ccco1 ZINC001313672039 1070901769 /nfs/dbraw/zinc/90/17/69/1070901769.db2.gz MGHICYCNPFAZBK-HKUYNNGSSA-N 0 3 493.534 3.959 20 0 JHADHN CCN(CC)[C@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCS[C@H](C)C1)c1ccco1 ZINC001313672936 1070905761 /nfs/dbraw/zinc/90/57/61/1070905761.db2.gz BZKIPOVYALAICA-QZTJIDSGSA-N 0 3 488.683 3.887 20 0 JHADHN O=S(=O)(NCCO[C@H]1CC1(F)F)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1 ZINC001309661341 1070908549 /nfs/dbraw/zinc/90/85/49/1070908549.db2.gz OJOGVHYNVWFFQD-HBMCJLEFSA-N 0 3 470.969 3.652 20 0 JHADHN CCN(CC)[C@H](Cn1c(COc2cccc(C)c2)nnc1N1CCN(C)C(=O)[C@@H]1C)c1ccsc1 ZINC001313674431 1070912043 /nfs/dbraw/zinc/91/20/43/1070912043.db2.gz JGQAZONREJNGIV-NZQKXSOJSA-N 0 3 496.681 3.977 20 0 JHADHN CCN(CC)[C@H](Cn1c(N2CCOC(C)(C)C2)nnc1[C@@]1(OC(C)C)CCOC1)c1ccco1 ZINC001313674799 1070912512 /nfs/dbraw/zinc/91/25/12/1070912512.db2.gz KSAXUHKJTHUTRW-CJFMBICVSA-N 0 3 475.634 3.610 20 0 JHADHN CCN(CC)[C@H](Cn1c(-c2ccc(C)o2)nnc1N1CCC(NC(C)=O)CC1)c1ccco1 ZINC001313674957 1070914362 /nfs/dbraw/zinc/91/43/62/1070914362.db2.gz QONUKBLZZWFUJD-HXUWFJFHSA-N 0 3 454.575 3.628 20 0 JHADHN CCN(CC)[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](C(C)C)C1)c1ccco1 ZINC001313675536 1070916381 /nfs/dbraw/zinc/91/63/81/1070916381.db2.gz PHMGOPVXDUTASW-RTWAWAEBSA-N 0 3 456.635 3.949 20 0 JHADHN CCN(CC)c1ccc(Cn2c(N3C[C@H](C)N(CC)C[C@@H]3C)nnc2[C@@]2(OC(C)C)CCOC2)cn1 ZINC001313679708 1070934744 /nfs/dbraw/zinc/93/47/44/1070934744.db2.gz RCBFLZQWICOVKO-BCQCSXDESA-N 0 3 499.704 3.527 20 0 JHADHN CN1CCC(CNS(=O)(=O)Cc2ccc(Br)cc2F)(c2ccccc2)CC1 ZINC001309771606 1070961908 /nfs/dbraw/zinc/96/19/08/1070961908.db2.gz DRBGTKBHGQQYLE-UHFFFAOYSA-N 0 3 455.393 3.671 20 0 JHADHN CN(C)[C@@H](Cn1c(CC2CC2)nnc1N(C)Cc1ccc([S@](C)=O)cc1)c1cccs1 ZINC001314737430 1070966403 /nfs/dbraw/zinc/96/64/03/1070966403.db2.gz MSNFSCTWQZMEOL-GEFUHLBYSA-N 0 3 457.669 3.969 20 0 JHADHN CCN(CC)CC(=O)N1CCN(c2nnc(Cc3c(F)cccc3F)n2CC2(C)CCCC2)CC1 ZINC001313698799 1070971628 /nfs/dbraw/zinc/97/16/28/1070971628.db2.gz MQXKBVSKTJUWBB-UHFFFAOYSA-N 0 3 488.627 3.718 20 0 JHADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccccc3Cl)n2C[C@H]2CC2(C)C)CC1 ZINC001313699179 1070973278 /nfs/dbraw/zinc/97/32/78/1070973278.db2.gz IWXSPIXGLJCMND-GOSISDBHSA-N 0 3 459.038 3.635 20 0 JHADHN CCN(CC)CC(=O)N1CCN(c2nnc(Cc3ccccc3C)n2C[C@H]2CCC[C@H]2C)CC1 ZINC001313699279 1070973314 /nfs/dbraw/zinc/97/33/14/1070973314.db2.gz WFPULXXXSQUIFD-ISKFKSNPSA-N 0 3 466.674 3.604 20 0 JHADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3cccc(Cl)c3)n2CC2(OC)CCCC2)CC1 ZINC001313701751 1070981353 /nfs/dbraw/zinc/98/13/53/1070981353.db2.gz YAQUHQFLRCBAEZ-UHFFFAOYSA-N 0 3 489.064 3.548 20 0 JHADHN CN(Cc1cccc(OC(F)F)c1)c1nnc(C2CCC2)n1CCN1CCN(C)C(C)(C)C1 ZINC001314743771 1070985004 /nfs/dbraw/zinc/98/50/04/1070985004.db2.gz YYFRKHIAZTYPMI-UHFFFAOYSA-N 0 3 462.589 3.809 20 0 JHADHN CN(C)Cc1ccc(S(=O)(=O)N2CCCC[C@@]3(CCN(C(=O)OC(C)(C)C)C3)C2)cc1 ZINC001309856457 1070997376 /nfs/dbraw/zinc/99/73/76/1070997376.db2.gz WLELGUFFVXACKL-QHCPKHFHSA-N 0 3 451.633 3.550 20 0 JHADHN CN(Cc1ccccn1)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(C)(C)CN1CCCC1 ZINC001314750009 1071000719 /nfs/dbraw/zinc/00/07/19/1071000719.db2.gz FMLXNONKFDSYNM-UHFFFAOYSA-N 0 3 482.654 3.502 20 0 JHADHN CN1C[C@@H]2CN(S(=O)(=O)c3ccc(Oc4ccc(F)cc4)c(Br)c3)C[C@]2(C)C1 ZINC001309910786 1071013787 /nfs/dbraw/zinc/01/37/87/1071013787.db2.gz ZXOMESKJJJWNRM-VLIAUNLRSA-N 0 3 469.376 3.953 20 0 JHADHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC001309980361 1071037335 /nfs/dbraw/zinc/03/73/35/1071037335.db2.gz JIOAVUJYGOEIJN-XXBNENTESA-N 0 3 456.612 3.503 20 0 JHADHN O=C(NC[C@H]1CCCN1Cc1ccccc1)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC001309979735 1071037346 /nfs/dbraw/zinc/03/73/46/1071037346.db2.gz DCEXXKHALTXLOI-JOCHJYFZSA-N 0 3 456.612 3.647 20 0 JHADHN C[C@H]1CN(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC2)CC[C@H]1N1CCN(C)CC1 ZINC001310018836 1071063352 /nfs/dbraw/zinc/06/33/52/1071063352.db2.gz HPLVCTAXOIXLKV-FXAWDEMLSA-N 0 3 453.553 3.795 20 0 JHADHN CN(C)[C@@H](Cn1c(CN2CCCC2=O)nnc1N(C)C[C@@H]1CC=CCC1)c1ccc(F)cc1 ZINC001314790603 1071068166 /nfs/dbraw/zinc/06/81/66/1071068166.db2.gz PMBQYFMXIKPVOK-KNQAVFIVSA-N 0 3 454.594 3.635 20 0 JHADHN C[C@H](CNC(=O)Nc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1)N(C)Cc1ccccc1 ZINC001310037885 1071077260 /nfs/dbraw/zinc/07/72/60/1071077260.db2.gz CBOXEVMYTQCXDN-HXUWFJFHSA-N 0 3 458.628 3.749 20 0 JHADHN CCN(Cc1cnn(C)c1)c1nnc(-c2cccc(C)n2)n1C[C@H](c1cccc(F)c1)N(C)C ZINC001313753107 1071090550 /nfs/dbraw/zinc/09/05/50/1071090550.db2.gz CXWDLTJTGPHSST-HSZRJFAPSA-N 0 3 462.577 3.851 20 0 JHADHN CCN(Cc1cnn(C)c1)c1nnc(-c2cccc(C)n2)n1C[C@@H](c1cccc(F)c1)N(C)C ZINC001313753113 1071090652 /nfs/dbraw/zinc/09/06/52/1071090652.db2.gz CXWDLTJTGPHSST-QHCPKHFHSA-N 0 3 462.577 3.851 20 0 JHADHN CN(C[C@@H]1CCCOC1)c1nnc(-c2cccc(Br)c2)n1CCN1CC=CCC1 ZINC001314806098 1071092978 /nfs/dbraw/zinc/09/29/78/1071092978.db2.gz GCGUGLROHMSGQX-SFHVURJKSA-N 0 3 460.420 3.832 20 0 JHADHN CCN(Cc1nc2ccsc2c(=O)[nH]1)c1nnc(CC(C)(C)C)n1CCN1CC=CCC1 ZINC001313756183 1071097932 /nfs/dbraw/zinc/09/79/32/1071097932.db2.gz ALKIHSNGTZKAJH-UHFFFAOYSA-N 0 3 455.632 3.865 20 0 JHADHN CN(C)[C@@H](CNC(=O)Nc1cccc(S(=O)(=O)N2CCCCCC2)c1)Cc1ccccc1 ZINC001310073309 1071098970 /nfs/dbraw/zinc/09/89/70/1071098970.db2.gz PQZRGFIHRBRFGD-JOCHJYFZSA-N 0 3 458.628 3.546 20 0 JHADHN CN(C)c1ccc(NC(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@H]2CO)c(C(F)(F)F)c1 ZINC001310106115 1071121162 /nfs/dbraw/zinc/12/11/62/1071121162.db2.gz VQNJVPGLDKDZRW-FXAWDEMLSA-N 0 3 450.505 3.776 20 0 JHADHN CCN(C[C@@H]1CCCO1)c1nnc(Cc2ccncc2)n1C[C@@H](c1ccc(F)cc1)N(C)C ZINC001313777901 1071137235 /nfs/dbraw/zinc/13/72/35/1071137235.db2.gz OZQMSRZYDJKURS-GOTSBHOMSA-N 0 3 452.578 3.711 20 0 JHADHN CN1CC(=O)N(c2cccc(NC(=O)NCCNC(c3ccccc3)c3ccccc3)c2)C1=O ZINC001310146247 1071154510 /nfs/dbraw/zinc/15/45/10/1071154510.db2.gz LGZZJQPBAYMPQP-UHFFFAOYSA-N 0 3 457.534 3.586 20 0 JHADHN CN(C)[C@@H](Cn1c(-c2ccccc2F)nnc1N(C)CCc1cnccn1)c1ccsc1 ZINC001314831372 1071163685 /nfs/dbraw/zinc/16/36/85/1071163685.db2.gz QPJRTSBEXFPYMV-NRFANRHFSA-N 0 3 451.575 3.918 20 0 JHADHN CN(C)[C@H](Cn1c(CN2CCCC2=O)nnc1N(C)CCc1ccccc1F)c1cccs1 ZINC001314831485 1071163728 /nfs/dbraw/zinc/16/37/28/1071163728.db2.gz FAAKTLAIXNESLU-HXUWFJFHSA-N 0 3 470.618 3.583 20 0 JHADHN CCN(CCc1ccccc1)c1nnc(Cc2csc(C)n2)n1CCN1CCN(C)C(C)(C)C1 ZINC001313791290 1071186002 /nfs/dbraw/zinc/18/60/02/1071186002.db2.gz NZHZHURZNOPKRX-UHFFFAOYSA-N 0 3 481.714 3.729 20 0 JHADHN CN(CCCc1ccccn1)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1N(C)CCCC1(C)C ZINC001314839998 1071186042 /nfs/dbraw/zinc/18/60/42/1071186042.db2.gz RJLBDNZTGGAECI-NRFANRHFSA-N 0 3 476.629 3.510 20 0 JHADHN CCN(CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@H](C(C)(C)C)C1)C(C)C ZINC001313802941 1071209890 /nfs/dbraw/zinc/20/98/90/1071209890.db2.gz LKFHCTGDABRFBO-FQEVSTJZSA-N 0 3 461.676 3.951 20 0 JHADHN Cc1cc(N2CCSCC2)ccc1NC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC001310213710 1071210896 /nfs/dbraw/zinc/21/08/96/1071210896.db2.gz HNSQRWWWIARGEZ-QPPBQGQZSA-N 0 3 454.640 3.553 20 0 JHADHN CN(CCCS(C)(=O)=O)c1nnc(-c2cccc3cccnc32)n1CC(C)(C)N1CCCCC1 ZINC001314853038 1071229168 /nfs/dbraw/zinc/22/91/68/1071229168.db2.gz QFBDPXLMUNEVJN-UHFFFAOYSA-N 0 3 484.670 3.629 20 0 JHADHN CN(C)[C@H](Cn1c(-c2ccc3ccccc3n2)nnc1N(C)CCCS(C)(=O)=O)C1CCCCC1 ZINC001314853140 1071229266 /nfs/dbraw/zinc/22/92/66/1071229266.db2.gz VTGFOBKVTBKWJA-XMMPIXPASA-N 0 3 498.697 3.875 20 0 JHADHN CCN(CCn1c(-c2ccccc2F)nnc1N1CCOC2(CCOCC2)C1)CCC(F)(F)F ZINC001313808885 1071234452 /nfs/dbraw/zinc/23/44/52/1071234452.db2.gz SMVAAZPYWMINMI-UHFFFAOYSA-N 0 3 485.526 3.744 20 0 JHADHN CC(C)OC(=O)c1ccc(Cl)c(NC(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@H]2CO)c1 ZINC001310254023 1071239983 /nfs/dbraw/zinc/23/99/83/1071239983.db2.gz HIJVWFNPKBWPRJ-PZJWPPBQSA-N 0 3 459.974 3.910 20 0 JHADHN CCN(CCn1c(-c2ccc(C)o2)nnc1N1CCO[C@H]([C@@H]2CCCO2)C1)CCC(F)(F)F ZINC001313811145 1071244676 /nfs/dbraw/zinc/24/46/76/1071244676.db2.gz ZUGADKLHPCVVMY-HKUYNNGSSA-N 0 3 471.524 3.505 20 0 JHADHN CCN(CCn1c(-c2cccc(C)n2)nnc1N(C)Cc1ncc(Cl)n1C)CCC(F)(F)F ZINC001313812315 1071250109 /nfs/dbraw/zinc/25/01/09/1071250109.db2.gz FAUVQRARCOPSHV-UHFFFAOYSA-N 0 3 484.958 3.946 20 0 JHADHN CCN(CCn1c(-c2cccc(C)n2)nnc1N1CCC2(C1)CCOCC2)CCC(F)(F)F ZINC001313812334 1071250178 /nfs/dbraw/zinc/25/01/78/1071250178.db2.gz FQQDXBYJSNOKMB-UHFFFAOYSA-N 0 3 466.552 3.930 20 0 JHADHN CNS(=O)(=O)c1ccc(C)c(NC(=O)NC[C@H](c2cccs2)N2CCC(C)CC2)c1 ZINC001310271536 1071254593 /nfs/dbraw/zinc/25/45/93/1071254593.db2.gz WPXVEXHSZZWTIC-LJQANCHMSA-N 0 3 450.630 3.559 20 0 JHADHN CNS(=O)(=O)c1ccc(C)c(NC(=O)NC[C@@H](c2cccs2)N2CCC(C)CC2)c1 ZINC001310271535 1071254626 /nfs/dbraw/zinc/25/46/26/1071254626.db2.gz WPXVEXHSZZWTIC-IBGZPJMESA-N 0 3 450.630 3.559 20 0 JHADHN CN(CCn1c(Cc2ccncc2)nnc1N(C)Cc1nccs1)Cc1ccc(F)cc1 ZINC001314862392 1071256144 /nfs/dbraw/zinc/25/61/44/1071256144.db2.gz ALEXAVRUWVOWOB-UHFFFAOYSA-N 0 3 451.575 3.628 20 0 JHADHN Cc1ccccc1COc1cccc(NC(=O)N2CCC(C(N)=O)(N3CCCCC3)CC2)c1 ZINC001310294331 1071277236 /nfs/dbraw/zinc/27/72/36/1071277236.db2.gz VLXWHVIJMBHOKP-UHFFFAOYSA-N 0 3 450.583 3.912 20 0 JHADHN CCN(CCS(C)(=O)=O)c1nnc(-c2cc3ccccc3o2)n1CC[C@H](C)N1CCCCC1 ZINC001313823143 1071288403 /nfs/dbraw/zinc/28/84/03/1071288403.db2.gz GZABPKJNCNZIFQ-IBGZPJMESA-N 0 3 473.643 3.827 20 0 JHADHN CN(CCOC(C)(C)C)c1nnc(Cc2cccnc2)n1C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC001314878189 1071297695 /nfs/dbraw/zinc/29/76/95/1071297695.db2.gz HJLXEIHBFCPPDG-VWLOTQADSA-N 0 3 492.668 3.806 20 0 JHADHN CCN(CCS(C)(=O)=O)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC(C)(C)N1CCC[C@H](C)C1 ZINC001313828729 1071300494 /nfs/dbraw/zinc/30/04/94/1071300494.db2.gz QUCNFXBRJCHWCU-PWRODBHTSA-N 0 3 497.750 3.578 20 0 JHADHN CCn1cc([C@H]2CN(c3nnc(C(C)(C)C)n3C[C@@H](c3cccs3)N(C)C)CCO2)cn1 ZINC001313833075 1071307612 /nfs/dbraw/zinc/30/76/12/1071307612.db2.gz QAPVGALWWZAEGC-RBUKOAKNSA-N 0 3 457.648 3.734 20 0 JHADHN CN(C)CCN(Cc1ccc(Br)cc1)C(=O)Nc1ccn(Cc2ccccn2)n1 ZINC001310330523 1071311916 /nfs/dbraw/zinc/31/19/16/1071311916.db2.gz VHLWFCHLJREPER-UHFFFAOYSA-N 0 3 457.376 3.685 20 0 JHADHN CCn1cccc(Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2CCN(C(C)(C)C)CC2)c1=O ZINC001313851674 1071349490 /nfs/dbraw/zinc/34/94/90/1071349490.db2.gz SITYUGIGMJZXMP-LJQANCHMSA-N 0 3 482.604 3.708 20 0 JHADHN O=C(NCC1(N2CCSCC2)CCCC1)Nc1cc(C(F)(F)F)cc2c1OCC(=O)N2 ZINC001310389773 1071362738 /nfs/dbraw/zinc/36/27/38/1071362738.db2.gz OUTCCOZRKKRCRI-UHFFFAOYSA-N 0 3 458.506 3.519 20 0 JHADHN CCN1C[C@H](C)N(c2nnc([C@]3(OC(C)C)CCOC3)n2CCc2ccc(F)c(F)c2)C[C@H]1C ZINC001313859436 1071363773 /nfs/dbraw/zinc/36/37/73/1071363773.db2.gz FYHYHOVKBHBNEN-WYEJZRMESA-N 0 3 477.600 3.759 20 0 JHADHN CN1CCC[C@H]1C(=O)N1CCN(c2nnc(CC(C)(C)C)n2Cc2cccc(C(C)(F)F)c2)CC1 ZINC001314923458 1071366749 /nfs/dbraw/zinc/36/67/49/1071366749.db2.gz FRPXZTDCORVEAJ-NRFANRHFSA-N 0 3 488.627 3.770 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(OCC(C)C)cc2)C[C@@H]1C ZINC001313859862 1071366854 /nfs/dbraw/zinc/36/68/54/1071366854.db2.gz LQFIJFCOMQBPOV-SFTDATJTSA-N 0 3 468.646 3.516 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3cccc(OC(F)F)c3)n2CCCNC(=O)C(C)C)C[C@H]1C ZINC001313860484 1071369816 /nfs/dbraw/zinc/36/98/16/1071369816.db2.gz LGMVDOFOFJNRKO-MSOLQXFVSA-N 0 3 478.588 3.628 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3cc(Br)cn3C)n2CC(C)(C)COC)C[C@H]1C ZINC001313861125 1071373151 /nfs/dbraw/zinc/37/31/51/1071373151.db2.gz LUDQAPKCKUPIHD-CVEARBPZSA-N 0 3 467.456 3.638 20 0 JHADHN CN1CCN(CCn2c(COc3ccccc3F)nnc2N2CCCCCCC2)CC1(C)C ZINC001314931756 1071377163 /nfs/dbraw/zinc/37/71/63/1071377163.db2.gz VFVWOTAYOAGJAK-UHFFFAOYSA-N 0 3 458.626 3.793 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCCSC)C[C@@H]1C ZINC001313861268 1071373346 /nfs/dbraw/zinc/37/33/46/1071373346.db2.gz PSRQLTMYYCZMQL-IRXDYDNUSA-N 0 3 465.067 3.534 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@H]2CCCS2)C[C@@H]1C ZINC001313861704 1071375233 /nfs/dbraw/zinc/37/52/33/1071375233.db2.gz QTNZUCFXLQIKGI-JENIJYKNSA-N 0 3 475.659 3.785 20 0 JHADHN CCN1C[C@H](C)N(c2nnc([C@@H](C)OCCOC)n2Cc2c(F)cc(F)c(F)c2F)C[C@@H]1C ZINC001313863285 1071381379 /nfs/dbraw/zinc/38/13/79/1071381379.db2.gz SUMVBXQFAFSAAP-SOUVJXGZSA-N 0 3 473.515 3.526 20 0 JHADHN CN1CCN(CCn2c(Cc3ccccc3F)nnc2N2CC=C(C(F)(F)F)CC2)CC1(C)C ZINC001314932044 1071378015 /nfs/dbraw/zinc/37/80/15/1071378015.db2.gz XHZFEFZXUCQCRQ-UHFFFAOYSA-N 0 3 480.554 3.733 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCC(F)(F)F)C[C@@H]1C ZINC001313862674 1071378306 /nfs/dbraw/zinc/37/83/06/1071378306.db2.gz UEWBYIXBVGJRRP-JKSUJKDBSA-N 0 3 473.565 3.610 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCCOC2CCOCC2)C[C@H]1C ZINC001313863013 1071379715 /nfs/dbraw/zinc/37/97/15/1071379715.db2.gz UVVGJVLLYFSVAF-FGZHOGPDSA-N 0 3 498.672 3.652 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(-c3csc(N4CCOCC4)n3)n2CCSCC(C)C)C[C@@H]1C ZINC001313863057 1071380453 /nfs/dbraw/zinc/38/04/53/1071380453.db2.gz JIJJECCROKGKMJ-RBUKOAKNSA-N 0 3 493.747 3.546 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(C(C)(C)C)n2CCOc2cccc(C(F)(F)F)n2)C[C@@H]1C ZINC001313863052 1071380740 /nfs/dbraw/zinc/38/07/40/1071380740.db2.gz UYIDEWXWIUZRGT-JKSUJKDBSA-N 0 3 454.541 3.987 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3cc(Br)c[nH]3)n2Cc2nccn2C(F)F)C[C@H]1C ZINC001313863305 1071381170 /nfs/dbraw/zinc/38/11/70/1071381170.db2.gz SXNQZGTWHDGJGP-OLZOCXBDSA-N 0 3 483.365 3.595 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3cc(Br)c[nH]3)n2Cc2nccn2C(F)F)C[C@@H]1C ZINC001313863309 1071381187 /nfs/dbraw/zinc/38/11/87/1071381187.db2.gz SXNQZGTWHDGJGP-STQMWFEESA-N 0 3 483.365 3.595 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3cccc(Cl)c3)n2CC(C)(C)N2CCOCC2)C[C@@H]1C ZINC001313864133 1071385658 /nfs/dbraw/zinc/38/56/58/1071385658.db2.gz XINAVSXMOHCNCX-OALUTQOASA-N 0 3 461.054 3.628 20 0 JHADHN CC1CC[NH+](CCc2cccc(NC(=O)N3CCC(C[N-]C(=O)C(F)(F)F)CC3)c2)CC1 ZINC001310442554 1071392133 /nfs/dbraw/zinc/39/21/33/1071392133.db2.gz UYOUYYMDZKIGAH-UHFFFAOYSA-N 0 3 454.537 3.883 20 0 JHADHN CCN1C[C@H](C)N(c2nnc([C@H](C)Oc3ccc(F)cc3)n2Cc2ccc(C)n(C)c2=O)C[C@H]1C ZINC001313865868 1071394472 /nfs/dbraw/zinc/39/44/72/1071394472.db2.gz YMKHPCPGYZMECW-AABGKKOBSA-N 0 3 482.604 3.532 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3n[nH]c(=O)c4ccccc43)n2CCCC(F)(F)F)C[C@@H]1C ZINC001313867436 1071400083 /nfs/dbraw/zinc/40/00/83/1071400083.db2.gz SUVRVWXXNFDPLN-GJZGRUSLSA-N 0 3 463.508 3.855 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(CCCc3ccccc3)n2CC2CCN(C(=O)OC)CC2)C[C@@H]1C ZINC001313867223 1071399049 /nfs/dbraw/zinc/39/90/49/1071399049.db2.gz IMHHTSAQUUOSCA-VXKWHMMOSA-N 0 3 482.673 3.851 20 0 JHADHN CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccc3ccccc3n2)n1C[C@@H](c1ccsc1)N(C)C ZINC001314945227 1071402127 /nfs/dbraw/zinc/40/21/27/1071402127.db2.gz IGDTZMFIFKCRCR-VGSWGCGISA-N 0 3 477.638 3.676 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(Cc3csc(C)n3)n2C[C@@](C)(O)C2CCCCC2)C[C@@H]1C ZINC001313868281 1071403310 /nfs/dbraw/zinc/40/33/10/1071403310.db2.gz MTUSLVDTFWNQPE-LLJLJFOGSA-N 0 3 460.692 3.884 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(-c3cccnc3)n2CCCCNC(=O)OC(C)(C)C)C[C@@H]1C ZINC001313868561 1071405270 /nfs/dbraw/zinc/40/52/70/1071405270.db2.gz BVIIBRAUSJRIKJ-RBUKOAKNSA-N 0 3 457.623 3.564 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(-c3cccnc3)n2CCCCNC(=O)OC(C)(C)C)C[C@H]1C ZINC001313868562 1071405324 /nfs/dbraw/zinc/40/53/24/1071405324.db2.gz BVIIBRAUSJRIKJ-RTBURBONSA-N 0 3 457.623 3.564 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3ccccn3)n2C[C@@](O)(c2ccccc2)C(F)(F)F)C[C@@H]1C ZINC001313870001 1071411605 /nfs/dbraw/zinc/41/16/05/1071411605.db2.gz DQPMYVGHBNVHSL-IUKKYPGJSA-N 0 3 474.531 3.709 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(Cc3c[nH]c4ccccc34)n2CCNC(=O)OC(C)(C)C)C[C@@H]1C ZINC001313871418 1071416866 /nfs/dbraw/zinc/41/68/66/1071416866.db2.gz YZBRHFQWECMXKS-RBUKOAKNSA-N 0 3 481.645 3.794 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3cccc(C)n3)n2Cc2cccc(NC(=O)OC)c2)C[C@@H]1C ZINC001313870195 1071412136 /nfs/dbraw/zinc/41/21/36/1071412136.db2.gz ZAUANVCUOLZWOB-OALUTQOASA-N 0 3 463.586 3.794 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(Cc3ccccc3F)n2Cc2ccnc(OC(F)F)c2)C[C@H]1C ZINC001313870600 1071414099 /nfs/dbraw/zinc/41/40/99/1071414099.db2.gz DZDRHNQFMIVKPV-IAGOWNOFSA-N 0 3 474.531 3.972 20 0 JHADHN CCN1C[C@H](C)N(c2nnc([C@H]3CCOC3)n2Cc2cc(Br)ccc2OC)C[C@@H]1C ZINC001313871850 1071418360 /nfs/dbraw/zinc/41/83/60/1071418360.db2.gz UAGVGPCBOWSVMD-ULQDDVLXSA-N 0 3 478.435 3.520 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3ccccn3)n2CCc2nc(C(F)(F)F)cs2)C[C@H]1C ZINC001313872195 1071419991 /nfs/dbraw/zinc/41/99/91/1071419991.db2.gz JIUAHHKANWQCQA-CABCVRRESA-N 0 3 465.549 3.977 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3ccc(Cl)cc3OC)n2Cc2nnc(C)s2)C[C@@H]1C ZINC001313872439 1071420979 /nfs/dbraw/zinc/42/09/79/1071420979.db2.gz XJEQZLFELYJPFO-KBPBESRZSA-N 0 3 462.023 3.734 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(Cn3nc(C)cc3C)n2CCc2c(F)cccc2F)C[C@@H]1C ZINC001313873051 1071423577 /nfs/dbraw/zinc/42/35/77/1071423577.db2.gz BQOCCNGBUQDPIF-OALUTQOASA-N 0 3 457.573 3.580 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3ccccc3OC)n2CCOCC(F)(F)C(F)F)C[C@@H]1C ZINC001313875389 1071433826 /nfs/dbraw/zinc/43/38/26/1071433826.db2.gz RXTLESOZUQMYFU-HOTGVXAUSA-N 0 3 473.515 3.790 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(COc3cccc(C)c3)n2CCCNc2ccccn2)C[C@@H]1C ZINC001313874686 1071429591 /nfs/dbraw/zinc/42/95/91/1071429591.db2.gz JLTPLORIKACYMF-VXKWHMMOSA-N 0 3 463.630 3.982 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(CNC(=O)c3cccs3)n2CCCOC2CCCC2)C[C@H]1C ZINC001313874744 1071430305 /nfs/dbraw/zinc/43/03/05/1071430305.db2.gz JVQADUFSPKBYIC-RTBURBONSA-N 0 3 474.675 3.538 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(Cc3c(F)cccc3F)n2CCCOC(F)(F)F)C[C@@H]1C ZINC001313874855 1071431185 /nfs/dbraw/zinc/43/11/85/1071431185.db2.gz OKMPAVAVNALIAZ-GJZGRUSLSA-N 0 3 461.479 3.993 20 0 JHADHN CN(CCN1CCN(C(=O)Nc2ccccc2C(=O)OC(C)(C)C)CC1)Cc1ccccc1 ZINC001310492188 1071431465 /nfs/dbraw/zinc/43/14/65/1071431465.db2.gz ZTAZKXLWBUKVRB-UHFFFAOYSA-N 0 3 452.599 3.923 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3ccccn3)n2CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)C[C@@H]1C ZINC001313876618 1071439391 /nfs/dbraw/zinc/43/93/91/1071439391.db2.gz VAGKVGQFNLYEHQ-ACRUOGEOSA-N 0 3 483.661 3.906 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3ccccn3)n2CCc2c(OC)cc(OC)cc2OC)C[C@@H]1C ZINC001313877347 1071441558 /nfs/dbraw/zinc/44/15/58/1071441558.db2.gz XDHVMXBMVSAGAI-OALUTQOASA-N 0 3 480.613 3.528 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(Cc3ccncc3)n2Cc2cc(Cl)ccc2OC)C[C@@H]1C ZINC001313877418 1071441705 /nfs/dbraw/zinc/44/17/05/1071441705.db2.gz TYFWHRZKNBDFBT-ROUUACIJSA-N 0 3 455.006 3.893 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc([C@H]3CCCO3)n2CCc2nc(C(F)(F)F)cs2)C[C@H]1C ZINC001313884083 1071463464 /nfs/dbraw/zinc/46/34/64/1071463464.db2.gz KUIHSHLQWDZRGR-RBSFLKMASA-N 0 3 458.554 3.767 20 0 JHADHN CCN1CC[C@@H](Cn2c(-c3cc4c(s3)CCCCC4)nnc2N(C)[C@@H](C)CS(=O)(=O)CC)C1 ZINC001313888049 1071475888 /nfs/dbraw/zinc/47/58/88/1071475888.db2.gz FZOZTPNMIBBKME-RBUKOAKNSA-N 0 3 493.743 3.877 20 0 JHADHN CCN1C[C@H](C)N(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CC(C)(C)COC)C[C@H]1C ZINC001313888603 1071477827 /nfs/dbraw/zinc/47/78/27/1071477827.db2.gz WVVHUQOLTGQUBF-AABGKKOBSA-N 0 3 478.682 3.942 20 0 JHADHN CCN1C[C@H](C)N(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2ccc(NC(C)=O)nc2)C[C@H]1C ZINC001313889337 1071479970 /nfs/dbraw/zinc/47/99/70/1071479970.db2.gz XPQOUKZOTFAEAU-NNTZPNAXSA-N 0 3 483.661 3.517 20 0 JHADHN CCN1CCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)[C@H](CF)c1ccc(Br)cc1 ZINC001313896074 1071498704 /nfs/dbraw/zinc/49/87/04/1071498704.db2.gz CSADNLCQMNKQSL-RTBURBONSA-N 0 3 495.441 3.810 20 0 JHADHN CCN1CCC[C@@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCO[C@H](C(C)(C)C)C1 ZINC001313897430 1071502898 /nfs/dbraw/zinc/50/28/98/1071502898.db2.gz JLDBIORTCCFJBG-YADHBBJMSA-N 0 3 468.646 3.883 20 0 JHADHN CCN1CCC[C@@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)CCOC(C)(C)C ZINC001313897436 1071502912 /nfs/dbraw/zinc/50/29/12/1071502912.db2.gz JMSJXHYMJTWYKM-HXUWFJFHSA-N 0 3 477.053 3.597 20 0 JHADHN CCN1CCC[C@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1ccc(SC)c(OC)c1 ZINC001313898139 1071504920 /nfs/dbraw/zinc/50/49/20/1071504920.db2.gz ONRXYHJYHPGUIL-IBGZPJMESA-N 0 3 495.653 3.777 20 0 JHADHN CCN1CCCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCc2cccc(Br)c2C1 ZINC001313904405 1071517229 /nfs/dbraw/zinc/51/72/29/1071517229.db2.gz HBGNMICGIRKHIZ-GOSISDBHSA-N 0 3 489.462 3.616 20 0 JHADHN CCN1CCCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)Cc1ccc(SC)c(OC)c1 ZINC001313904446 1071518230 /nfs/dbraw/zinc/51/82/30/1071518230.db2.gz HVPGOWWAJXPJKZ-HXUWFJFHSA-N 0 3 486.686 3.755 20 0 JHADHN CCN1CCCC[C@@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@H](C)[C@@H](OC)C1 ZINC001313906895 1071525993 /nfs/dbraw/zinc/52/59/93/1071525993.db2.gz SQAZGBYVXAGQFO-PMOQBDJRSA-N 0 3 468.646 3.883 20 0 JHADHN CNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2C[C@H](c2cccs2)N(C)C)CC1 ZINC001315003889 1071530492 /nfs/dbraw/zinc/53/04/92/1071530492.db2.gz GDKKXGZEZRNNFQ-OAQYLSRUSA-N 0 3 466.655 3.504 20 0 JHADHN CNC(=O)CC1CCN(c2nnc(C(C)(C)C)n2C[C@H](c2cccc(OC)c2)N2CCCC2)CC1 ZINC001315015304 1071535668 /nfs/dbraw/zinc/53/56/68/1071535668.db2.gz JRNRKMGLAODEPJ-HSZRJFAPSA-N 0 3 482.673 3.774 20 0 JHADHN CNC(=O)CC1CCN(c2nnc(C3CCCC3)n2C[C@@H](c2cccc(F)c2)N(C)C)CC1 ZINC001315021662 1071543128 /nfs/dbraw/zinc/54/31/28/1071543128.db2.gz BUHULWXSMCAQOM-QFIPXVFZSA-N 0 3 456.610 3.730 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(-c3cc(Br)cn3C)nnc2N2CCC[C@@H](C)CC2)CC1 ZINC001313919382 1071556832 /nfs/dbraw/zinc/55/68/32/1071556832.db2.gz AKFCNJMGTPOGQG-RTBURBONSA-N 0 3 492.510 3.699 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(-c3ccc(C)o3)nnc2N(C)c2cc(OC)cc(OC)c2)CC1 ZINC001313919815 1071558170 /nfs/dbraw/zinc/55/81/70/1071558170.db2.gz GLRSFSOYOHZERL-SFHVURJKSA-N 0 3 468.602 3.658 20 0 JHADHN CNC(=O)CCN(C)c1nnc(-c2cc(C)nc3ccccc32)n1C[C@@H](c1cccs1)N(C)C ZINC001315031093 1071559844 /nfs/dbraw/zinc/55/98/44/1071559844.db2.gz BBIUGYYPDOPHOP-NRFANRHFSA-N 0 3 477.638 3.738 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(-c3ccc(C(C)(C)C)cc3)nnc2N(C)Cc2cnn(C)c2C)CC1 ZINC001313921321 1071561190 /nfs/dbraw/zinc/56/11/90/1071561190.db2.gz PQKHNOHGFLDFJH-OAQYLSRUSA-N 0 3 492.716 3.947 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(-c3cc(F)ccc3Br)nnc2N(C)C2CCC2)CC1 ZINC001313922578 1071565210 /nfs/dbraw/zinc/56/52/10/1071565210.db2.gz WZOXKWFHZYHITI-INIZCTEOSA-N 0 3 479.442 3.861 20 0 JHADHN CCN(C)c1nnc(-c2ccc(Br)cc2Cl)n1C[C@H](C)N1CCN(CC)CC1 ZINC001313922917 1071565662 /nfs/dbraw/zinc/56/56/62/1071565662.db2.gz YOAKYVJXOUOZIW-HNNXBMFYSA-N 0 3 469.859 3.843 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(-c3ccccc3F)nnc2N2C[C@@H](C)C(F)(F)[C@@H](C)C2)CC1 ZINC001313923906 1071568789 /nfs/dbraw/zinc/56/87/89/1071568789.db2.gz APPACAGMXZUUBO-CEXWTWQISA-N 0 3 464.580 3.838 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(CC(C)(C)C)nnc2N(C)CCOc2ccccc2F)CC1 ZINC001313926074 1071575502 /nfs/dbraw/zinc/57/55/02/1071575502.db2.gz BWKQDBVTQCBOMU-HXUWFJFHSA-N 0 3 460.642 3.547 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(C3CCC3)nnc2N(C)CCOc2ccccc2Cl)CC1 ZINC001313926112 1071575520 /nfs/dbraw/zinc/57/55/20/1071575520.db2.gz CIVNXMSALGKODA-LJQANCHMSA-N 0 3 461.054 3.740 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(-c3cn(C)c4ccccc34)nnc2N(C)CCC(F)F)CC1 ZINC001313925456 1071573992 /nfs/dbraw/zinc/57/39/92/1071573992.db2.gz QYVTYPRHSHQJND-SFHVURJKSA-N 0 3 459.589 3.554 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(CC(C)(C)C)nnc2N(C)Cc2ccc(OC)c(OC)c2)CC1 ZINC001313925749 1071574645 /nfs/dbraw/zinc/57/46/45/1071574645.db2.gz AEMCHNANXFDXCJ-FQEVSTJZSA-N 0 3 472.678 3.546 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(-c3ccc(Cl)cc3F)nnc2N(C)CC2CCOCC2)CC1 ZINC001313925961 1071574742 /nfs/dbraw/zinc/57/47/42/1071574742.db2.gz VRTBLQVSFWVGQZ-SFHVURJKSA-N 0 3 479.044 3.626 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(CC(C)(C)C)nnc2N2CC[C@@H](Cc3ccccc3)C2)CC1 ZINC001313925826 1071574883 /nfs/dbraw/zinc/57/48/83/1071574883.db2.gz BBBKQQFSABBHFX-VWNXMTODSA-N 0 3 452.691 3.962 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(-c3ccc(OC(C)C)c(OC)c3)nnc2N2CCC(F)(F)C2)CC1 ZINC001313926758 1071577652 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CC[C@@H]1CN(c2nnc(C(C)C)n2C[C@H](c2ccccc2Cl)N(C)C)CCN1CCOC ZINC001306388424 1068823444 /nfs/dbraw/zinc/82/34/44/1068823444.db2.gz WGOSBDKJPLFQHT-DENIHFKCSA-N 0 3 463.070 3.905 20 0 JHADHN CC[C@@H]1CN(c2nnc(-c3ccc(Br)cc3)n2CCN2CC=CCC2)C[C@H](C)O1 ZINC001306407150 1068880163 /nfs/dbraw/zinc/88/01/63/1068880163.db2.gz WDGPWYLAYNWYOF-FXAWDEMLSA-N 0 3 460.420 3.973 20 0 JHADHN CC[C@H]1CN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H](C)CN2CCN(CC)CC2)CCS1 ZINC001306438194 1068943447 /nfs/dbraw/zinc/94/34/47/1068943447.db2.gz KQPHTUCOWSSKSE-REWPJTCUSA-N 0 3 474.694 3.613 20 0 JHADHN CC[C@@H]1CN(c2nnc(Cc3csc(C)n3)n2C[C@@H](c2cccc(OC)c2)N(C)C)CCO1 ZINC001306444305 1068955825 /nfs/dbraw/zinc/95/58/25/1068955825.db2.gz MJBCOABNYVEZML-IRLDBZIGSA-N 0 3 470.643 3.561 20 0 JHADHN Cc1c(I)cccc1NC(=O)N1CC2(CCCC2)OC[C@H]1CN(C)C ZINC001310538728 1069006388 /nfs/dbraw/zinc/00/63/88/1069006388.db2.gz RBXZQYGFHUPSIX-OAHLLOKOSA-N 0 3 457.356 3.707 20 0 JHADHN CC/C=C\Cn1c(-c2ccc(Br)cc2)nnc1N1CCN(C2CCOCC2)CC1 ZINC001306467974 1069008775 /nfs/dbraw/zinc/00/87/75/1069008775.db2.gz PLVNQTHWOMTMSS-ARJAWSKDSA-N 0 3 460.420 3.975 20 0 JHADHN CCCC(=O)Nc1ccc(Cn2c([C@H]3CCCOC3)nnc2N2CCN(CC(C)C)CC2)cc1 ZINC001306494887 1069038950 /nfs/dbraw/zinc/03/89/50/1069038950.db2.gz UKPYOKWIMLAONG-QFIPXVFZSA-N 0 3 468.646 3.737 20 0 JHADHN CCCC(=O)N[C@@H]1CCCN(c2nnc(C3CCCC3)n2CCN(C)Cc2ccccc2)C1 ZINC001306501288 1069063785 /nfs/dbraw/zinc/06/37/85/1069063785.db2.gz DITLNTSDGKTBES-HSZRJFAPSA-N 0 3 452.647 3.953 20 0 JHADHN O=C(NC[C@H](c1ccccc1)N1CCCC1)Nc1ccnn1-c1ccc(Br)cn1 ZINC001310667538 1069097315 /nfs/dbraw/zinc/09/73/15/1069097315.db2.gz IAVGEJXGTIISOS-GOSISDBHSA-N 0 3 455.360 3.988 20 0 JHADHN COc1cc(NC(=O)N2CCN(CCN(C)Cc3ccccc3)CC2)ccc1C(F)(F)F ZINC001310678431 1069105323 /nfs/dbraw/zinc/10/53/23/1069105323.db2.gz WHTTYYURBSQACP-UHFFFAOYSA-N 0 3 450.505 3.996 20 0 JHADHN CCc1ccc([C@H](CNC(=O)Nc2nnn(CCOc3ccc(F)cc3)c2C)N(C)C)cc1 ZINC001310726482 1069138530 /nfs/dbraw/zinc/13/85/30/1069138530.db2.gz YRTKZMMCZURJKH-QFIPXVFZSA-N 0 3 454.550 3.791 20 0 JHADHN CCC[C@](C)(O)Cn1c([C@H](CC)c2ccccc2)nnc1N1CC[C@H](N2CCN(CC)CC2)C1 ZINC001306526397 1069155226 /nfs/dbraw/zinc/15/52/26/1069155226.db2.gz JUHKWUMYHDQVHJ-XFAFFCHDSA-N 0 3 468.690 3.587 20 0 JHADHN CCC[C@](C)(O)Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCN(C2CCOCC2)CC1 ZINC001306530385 1069169379 /nfs/dbraw/zinc/16/93/79/1069169379.db2.gz WORJQTNQWBYPDS-CUNXSJBXSA-N 0 3 485.673 3.887 20 0 JHADHN CCSc1cccc(Br)c1NC(=O)N1CCN(C(=O)CN(CC)CC)CC1 ZINC001310823611 1069179286 /nfs/dbraw/zinc/17/92/86/1069179286.db2.gz JRVKDKPUUYFSOP-UHFFFAOYSA-N 0 3 457.438 3.579 20 0 JHADHN C[C@@H]1CN(c2cc(F)cc(NC(=O)NCC3(N4CCSCC4)CCCC3)c2)C[C@H](C)O1 ZINC001310956980 1069233248 /nfs/dbraw/zinc/23/32/48/1069233248.db2.gz AFRJDKKDWODWEE-HDICACEKSA-N 0 3 450.624 3.922 20 0 JHADHN CCC[C@@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1C[C@H](c1cccc(OC)c1)N(C)C ZINC001306577736 1069243307 /nfs/dbraw/zinc/24/33/07/1069243307.db2.gz RHBJOVYBQXAEMB-DYESRHJHSA-N 0 3 468.602 3.942 20 0 JHADHN CCC[C@H](Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCN(CC(C)C)CC1)OC ZINC001306593284 1069263617 /nfs/dbraw/zinc/26/36/17/1069263617.db2.gz OXAKTZOEAXLPLK-QHAWAJNXSA-N 0 3 478.682 3.642 20 0 JHADHN CCCc1nc(C)c(Cn2c(CC(C)(C)C)nnc2N2C[C@@H](C)[C@H](N3CCCN(C(C)=O)CC3)C2)o1 ZINC001306612475 1069290847 /nfs/dbraw/zinc/29/08/47/1069290847.db2.gz QZNGFWIGNVNDMV-DENIHFKCSA-N 0 3 499.704 3.543 20 0 JHADHN CCC[C@H]1CN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@]2(C)COCCO2)CCN1CCOC ZINC001306618615 1069302288 /nfs/dbraw/zinc/30/22/88/1069302288.db2.gz GFYBWFQBGPKEBC-RBJSKKJNSA-N 0 3 499.700 3.985 20 0 JHADHN CCC[C@@H]1CN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@@]2(O)CCO[C@H]2C)CCN1CCOC ZINC001306618977 1069302815 /nfs/dbraw/zinc/30/28/15/1069302815.db2.gz HRAJFSYHDBBPHP-YBZFOXLFSA-N 0 3 499.700 3.720 20 0 JHADHN CCC[C@@H]1CN(c2nnc(-c3cnccn3)n2C[C@@H](C)c2ccc(F)cc2)CCN1CCOC ZINC001306619457 1069303789 /nfs/dbraw/zinc/30/37/89/1069303789.db2.gz BEZMDFMMCLLAOS-DENIHFKCSA-N 0 3 467.593 3.615 20 0 JHADHN C[C@@H]1CN(c2c3c(cnc2Cl)C2(CCN(Cc4ccccc4)CC2)OC3=O)[C@H](C)CN1C ZINC001164643612 719229208 /nfs/dbraw/zinc/22/92/08/719229208.db2.gz ZPIZVBDQRPLMTG-QZTJIDSGSA-N 0 3 455.002 3.926 20 0 JHADHN COC(=O)/C=C/c1ccc(NC(=O)C(C)(C)C)c(N2CC[C@@H]3[C@@H]2CCN3Cc2cccnc2)n1 ZINC001164735686 720416393 /nfs/dbraw/zinc/41/63/93/720416393.db2.gz XNAROPAAFVEXLF-VASCFYCDSA-N 0 3 463.582 3.501 20 0 JHADHN Cc1ccc2nc(-c3ccccc3F)nc(N3CCN4C[C@H](Oc5cncnc5)C[C@H]4C3)c2c1 ZINC001164742626 720720212 /nfs/dbraw/zinc/72/02/12/720720212.db2.gz WDIUVOQZWCZSQX-RBUKOAKNSA-N 0 3 456.525 3.876 20 0 JHADHN FC(F)(c1nc(Cl)cc(N2CCCC2)n1)N1CCCn2cnc(CNC3CCC3)c2C1 ZINC001164838635 720736266 /nfs/dbraw/zinc/73/62/66/720736266.db2.gz UQWRZILFXOQAQP-UHFFFAOYSA-N 0 3 451.953 3.524 20 0 JHADHN CC(C)CN1[C@@H]2CCN(c3ccc(CN(C)C4CC4)cn3)CC[C@@H]2Oc2ccccc2S1(=O)=O ZINC001164758933 720972553 /nfs/dbraw/zinc/97/25/53/720972553.db2.gz XFEPVWTULGRBOE-PKTZIBPZSA-N 0 3 484.666 3.753 20 0 JHADHN CC(C)CN1[C@H]2CCN(c3ccc(CN4CCCC4)cn3)CC[C@H]2Oc2ccccc2S1(=O)=O ZINC001164759216 720972769 /nfs/dbraw/zinc/97/27/69/720972769.db2.gz YLCUGPCFELLGQV-XZOQPEGZSA-N 0 3 484.666 3.754 20 0 JHADHN O=C(Nc1cccc(Cl)c1)c1ccc(N2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)nc1 ZINC001164878931 721146896 /nfs/dbraw/zinc/14/68/96/721146896.db2.gz QVRFMEUPUUDBHH-PKTZIBPZSA-N 0 3 463.969 3.862 20 0 JHADHN Cn1cc(CN2CC[C@@H]3CN(c4nc(CN5CCCC5)nc5sc6c(c54)CCCC6)C[C@H]3C2)cn1 ZINC001164767716 721202033 /nfs/dbraw/zinc/20/20/33/721202033.db2.gz KLAOHWGGUXNRLB-NHCUHLMSSA-N 0 3 491.709 3.858 20 0 JHADHN COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(C(F)(F)c1cc(Cl)nc(=S)[n-]1)CC2 ZINC001164786588 721463998 /nfs/dbraw/zinc/46/39/98/721463998.db2.gz OPXOEPVSZLIQRM-INIZCTEOSA-N 0 3 477.021 3.698 20 0 JHADHN COCC[N@H+]1CC2(C[C@H]1COCC1CC1)CCN(C(F)(F)c1cc(Cl)nc(=S)[n-]1)CC2 ZINC001164786588 721464000 /nfs/dbraw/zinc/46/40/00/721464000.db2.gz OPXOEPVSZLIQRM-INIZCTEOSA-N 0 3 477.021 3.698 20 0 JHADHN CCOC(=O)c1sc2ncnc(N3CCN4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)c2c1C ZINC001164896257 721509506 /nfs/dbraw/zinc/50/95/06/721509506.db2.gz ABIJWUDBHNDNHU-FUHWJXTLSA-N 0 3 456.543 3.657 20 0 JHADHN Fc1cccc(O[C@H]2C[C@@H]3CN(c4nc(Cl)nc5c(Cl)nc(Cl)nc54)CCN3C2)c1 ZINC001164897610 721522913 /nfs/dbraw/zinc/52/29/13/721522913.db2.gz GACGCYBFUYACJT-YPMHNXCESA-N 0 3 469.735 3.861 20 0 JHADHN Fc1cccc(O[C@@H]2C[C@@H]3CN(c4nc(Cl)nc5c4ncn5[C@H]4CCCCO4)CCN3C2)c1 ZINC001164904626 721533132 /nfs/dbraw/zinc/53/31/32/721533132.db2.gz FPXPMHLFYRMTJA-BHIYHBOVSA-N 0 3 472.952 3.660 20 0 JHADHN COc1ccc(-c2ccc(N3CCN4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)nn2)c(OC)c1 ZINC001164911091 721559486 /nfs/dbraw/zinc/55/94/86/721559486.db2.gz YHRIVFIIUJRBMO-WIYYLYMNSA-N 0 3 450.514 3.642 20 0 JHADHN COc1ccc(CN(C)c2ccnc(N3CCN4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)n2)cc1 ZINC001164910359 721563253 /nfs/dbraw/zinc/56/32/53/721563253.db2.gz WJSFYRQSSOULDC-URXFXBBRSA-N 0 3 463.557 3.603 20 0 JHADHN FC1(F)CCN(c2ncnc3cc4c(cc32)OCCO4)C[C@]12CCN(Cc1ccccn1)C2 ZINC001164905405 721691957 /nfs/dbraw/zinc/69/19/57/721691957.db2.gz JBUCAEXTLSAXHZ-HSZRJFAPSA-N 0 3 453.493 3.534 20 0 JHADHN FC(F)(c1nc(Cl)cc(N2CCCC2)n1)N1CCC2(CC1)COCCN(Cc1ccncc1)C2 ZINC001164959434 722053297 /nfs/dbraw/zinc/05/32/97/722053297.db2.gz JGPAQYNRIVJBTK-UHFFFAOYSA-N 0 3 493.002 3.789 20 0 JHADHN CSc1nc(Cl)cc(C(F)(F)N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164979935 722102537 /nfs/dbraw/zinc/10/25/37/722102537.db2.gz IJSUMTPQKVRXPO-HOTGVXAUSA-N 0 3 455.962 3.519 20 0 JHADHN FC(F)(Oc1ccc2c(Cl)ncnc2c1)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164980314 722133516 /nfs/dbraw/zinc/13/35/16/722133516.db2.gz MRORRJGGPOWADL-UWJYYQICSA-N 0 3 475.927 3.830 20 0 JHADHN O=C(NC1CCCC1)c1cnc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)c(Cl)c1 ZINC001164985479 722143863 /nfs/dbraw/zinc/14/38/63/722143863.db2.gz ZPOZKSBFSBZLDD-CVDCTZTESA-N 0 3 470.017 3.530 20 0 JHADHN COc1ccc(Oc2cc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)nc(C)n2)cc1 ZINC001164972478 722153036 /nfs/dbraw/zinc/15/30/36/722153036.db2.gz IAEPDGCAKQZGPF-XUZZJYLKSA-N 0 3 461.566 3.708 20 0 JHADHN Clc1cccc(COc2cncc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)n2)c1 ZINC001164976243 722153931 /nfs/dbraw/zinc/15/39/31/722153931.db2.gz VSWYMMQFGGYQMI-GMAHTHKFSA-N 0 3 465.985 3.831 20 0 JHADHN C[C@](NC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@H]1CO)(c1ccc(F)cc1)C(F)(F)F ZINC001311275533 1069313390 /nfs/dbraw/zinc/31/33/90/1069313390.db2.gz WVQIYONMMQAVHK-XJABCFGWSA-N 0 3 453.480 3.785 20 0 JHADHN CCC[C@@H]1CN(c2nnc(CC(C)(C)C)n2Cc2nc3cc(OC)ccc3n2C)CCN1CCOC ZINC001306630151 1069329690 /nfs/dbraw/zinc/32/96/90/1069329690.db2.gz NQQWZFQZLNZOOY-HXUWFJFHSA-N 0 3 497.688 3.747 20 0 JHADHN CCC[C@@H]1CN(c2nnc(-c3ccccc3OC)n2Cc2cnc(C)s2)CCN1CCOC ZINC001306644071 1069355028 /nfs/dbraw/zinc/35/50/28/1069355028.db2.gz JEKFDVNVWQLWRO-LJQANCHMSA-N 0 3 470.643 3.704 20 0 JHADHN CCC[C@@H]1CN(c2nnc(-c3ccccn3)n2CCSC(F)(F)F)CCN1CCOC ZINC001306645644 1069357559 /nfs/dbraw/zinc/35/75/59/1069357559.db2.gz LOEJXNLFNIXCFN-MRXNPFEDSA-N 0 3 458.554 3.530 20 0 JHADHN Cc1cccc([C@H](CNC(=O)N[C@@H](CN(C)Cc2ccccc2)C(C)C)N2CCOCC2)c1 ZINC001311389781 1069357560 /nfs/dbraw/zinc/35/75/60/1069357560.db2.gz AKLKFWATCHHOIK-UIOOFZCWSA-N 0 3 452.643 3.824 20 0 JHADHN CCC[C@H]1CN(c2nnc(-c3ccccc3Cl)n2CC(C)(C)OC)CCN1CCOC ZINC001306649566 1069361559 /nfs/dbraw/zinc/36/15/59/1069361559.db2.gz VKVJVQCGGIQKNJ-SFHVURJKSA-N 0 3 450.027 3.961 20 0 JHADHN CN1CCO[C@H]([C@H](NC(=O)N[C@@H](CN2CCCC2)c2ccccc2)c2ccc(Cl)cc2)C1 ZINC001311405058 1069363929 /nfs/dbraw/zinc/36/39/29/1069363929.db2.gz IBHWHUKEOOMNOD-KMDXXIMOSA-N 0 3 457.018 3.848 20 0 JHADHN CN(C)[C@H](CNC(=O)N1CCc2sc(CNC(=O)OC(C)(C)C)nc2C1)c1ccccc1 ZINC001311417913 1069367977 /nfs/dbraw/zinc/36/79/77/1069367977.db2.gz GAKGSPJYAVCDHE-GOSISDBHSA-N 0 3 459.616 3.538 20 0 JHADHN CCCCCNC(=O)C1CCN(c2nnc(C)n2C[C@H](c2ccco2)N2CCCCC2)CC1 ZINC001306658166 1069373355 /nfs/dbraw/zinc/37/33/55/1069373355.db2.gz LUEKFPNKSCWRNH-JOCHJYFZSA-N 0 3 456.635 3.930 20 0 JHADHN CN1CCN(Cc2ccc(CNC(=O)N[C@@H]3C[C@H]3c3ccccc3Br)cc2)CC1 ZINC001311496091 1069406298 /nfs/dbraw/zinc/40/62/98/1069406298.db2.gz MOCDOMNSMBTFSP-RBBKRZOGSA-N 0 3 457.416 3.552 20 0 JHADHN CN(C(=O)NCc1ccc(CN2CCN(C)CC2)cc1)[C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC001311496420 1069406374 /nfs/dbraw/zinc/40/63/74/1069406374.db2.gz MYVGHIAOKJREBF-LOSJGSFVSA-N 0 3 450.627 3.822 20 0 JHADHN CCC(CC)[C@@H](CNC(=O)N[C@H](CN(C)C)c1cccc(C(F)(F)F)c1)N1CCOCC1 ZINC001311536590 1069428995 /nfs/dbraw/zinc/42/89/95/1069428995.db2.gz XNKZYBFEGKHDSB-NHCUHLMSSA-N 0 3 458.569 3.744 20 0 JHADHN CCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001306703124 1069438994 /nfs/dbraw/zinc/43/89/94/1069438994.db2.gz IUOYUULQZXDVIT-HXUWFJFHSA-N 0 3 489.462 3.559 20 0 JHADHN CN(C)[C@H](CNC(=O)N1CCC(Oc2ccc(C(F)(F)F)cn2)CC1)Cc1ccccc1 ZINC001311570227 1069442768 /nfs/dbraw/zinc/44/27/68/1069442768.db2.gz HDEQUUXSWVJSBZ-IBGZPJMESA-N 0 3 450.505 3.826 20 0 JHADHN CCCCn1c(CSc2ccccc2OC)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001306717603 1069448805 /nfs/dbraw/zinc/44/88/05/1069448805.db2.gz UOCMQQFMZYMCGB-UHFFFAOYSA-N 0 3 459.660 3.928 20 0 JHADHN Cc1ccc([C@@H](CN2CCOCC2)NC(=O)N2CCCN(Cc3ccccc3)C[C@H]2C)cc1 ZINC001311595947 1069457539 /nfs/dbraw/zinc/45/75/39/1069457539.db2.gz YWVHZMOGQJUMDU-ZEQKJWHPSA-N 0 3 450.627 3.674 20 0 JHADHN C[C@H](NC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1)c1ccc(Oc2ccccc2)c(F)c1 ZINC001311618968 1069469930 /nfs/dbraw/zinc/46/99/30/1069469930.db2.gz JJQJEVQWRFDCEI-AVRDEDQJSA-N 0 3 454.546 3.627 20 0 JHADHN CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(-c3ccccc3OC)n2CCN2CC=CCC2)C1 ZINC001306738417 1069509598 /nfs/dbraw/zinc/50/95/98/1069509598.db2.gz ZTCRCNRVQNBYSO-FCHUYYIVSA-N 0 3 480.657 3.737 20 0 JHADHN Cc1ccc([C@@H](CNC(=O)N2CCN(C(=O)C(F)(F)F)C3(CCCCC3)C2)N(C)C)cc1 ZINC001311746401 1069531519 /nfs/dbraw/zinc/53/15/19/1069531519.db2.gz RXAZHNFEVUQIAC-LJQANCHMSA-N 0 3 454.537 3.717 20 0 JHADHN COC(=O)c1cnc([C@@H]2CCCN(C(=O)NC[C@@H](c3ccc(C)cc3)N3CCCC3)C2)s1 ZINC001311764188 1069537677 /nfs/dbraw/zinc/53/76/77/1069537677.db2.gz DXLRJBZXGXKMJX-UXHICEINSA-N 0 3 456.612 3.964 20 0 JHADHN Cc1ccc([C@@H](CNC(=O)NC[C@H]2CN(Cc3cccc(C)c3)CCO2)N2CCCC2)cc1 ZINC001311767123 1069539197 /nfs/dbraw/zinc/53/91/97/1069539197.db2.gz ZDFUDHNNQXPOHQ-IZZNHLLZSA-N 0 3 450.627 3.641 20 0 JHADHN CN(C(=O)NC1CCN(CC2CCCCC2)CC1)[C@H]1CS(=O)(=O)c2ccc(Cl)cc21 ZINC001311791027 1069546432 /nfs/dbraw/zinc/54/64/32/1069546432.db2.gz LUEVKBKRQRKQKP-FQEVSTJZSA-N 0 3 454.036 3.855 20 0 JHADHN COc1ccccc1N1CC[C@@H](CNC(=O)NC[C@@H](c2ccc(OC(C)C)cc2)N(C)C)C1 ZINC001311827925 1069565021 /nfs/dbraw/zinc/56/50/21/1069565021.db2.gz DYMJJCXRQKYBKR-RDPSFJRHSA-N 0 3 454.615 3.911 20 0 JHADHN COc1ccccc1N1CC[C@H](CNC(=O)NC[C@@H](c2ccc(OC(C)C)cc2)N(C)C)C1 ZINC001311827929 1069565454 /nfs/dbraw/zinc/56/54/54/1069565454.db2.gz DYMJJCXRQKYBKR-YKSBVNFPSA-N 0 3 454.615 3.911 20 0 JHADHN CCC[C@@H](NC(=O)N[C@@H]1CCN(Cc2ccc(C)cc2)C1)C(=O)N1CCc2sccc2C1 ZINC001311856799 1069583065 /nfs/dbraw/zinc/58/30/65/1069583065.db2.gz DGHUTXFRPTXKCX-FGZHOGPDSA-N 0 3 454.640 3.684 20 0 JHADHN CCc1csc(CC2CCN(C(=O)NCc3cccc(CN4CCN(C)CC4)c3)CC2)n1 ZINC001311863167 1069586822 /nfs/dbraw/zinc/58/68/22/1069586822.db2.gz XMJXTPZNCZCWJZ-UHFFFAOYSA-N 0 3 455.672 3.617 20 0 JHADHN CCCN(CC)CCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1CCC[C@H](S(C)(=O)=O)C1 ZINC001306802147 1069608236 /nfs/dbraw/zinc/60/82/36/1069608236.db2.gz GMOLXPRMIHBLEC-ICSRJNTNSA-N 0 3 493.743 3.877 20 0 JHADHN CCOc1c(Cl)cc(Cn2c([C@H]3CCOC3)nnc2N2CCN(C(C)(C)C)CC2)cc1OC ZINC001314151900 1069614496 /nfs/dbraw/zinc/61/44/96/1069614496.db2.gz CFUHVNZDWJKRLI-SFHVURJKSA-N 0 3 478.037 3.812 20 0 JHADHN CCOc1cc(C)ccc1Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C ZINC001314156443 1069627852 /nfs/dbraw/zinc/62/78/52/1069627852.db2.gz GRIRVMNTYBNBOM-UXHICEINSA-N 0 3 477.613 3.600 20 0 JHADHN CN(C)CCn1cc(NC(=O)C[C@H]2CCN(C(=O)OC(C)(C)C)c3ccccc32)ccc1=O ZINC001306817735 1069639576 /nfs/dbraw/zinc/63/95/76/1069639576.db2.gz AXYNWFOXFANWPK-GOSISDBHSA-N 0 3 454.571 3.668 20 0 JHADHN COc1ccc(-c2nc(C)c([C@@H](C)NC(=O)N3CCN(CC4CCOCC4)CC3)s2)cc1 ZINC001312005537 1069664565 /nfs/dbraw/zinc/66/45/65/1069664565.db2.gz BHTOYDPAYFGPAY-GOSISDBHSA-N 0 3 458.628 3.942 20 0 JHADHN CCCN(CCn1c(-c2cccn2C)nnc1N1CCN(CC(C)C)CC1)C(=O)OC(C)(C)C ZINC001307015183 1069721975 /nfs/dbraw/zinc/72/19/75/1069721975.db2.gz GSLLLVJLQVQLQF-UHFFFAOYSA-N 0 3 473.666 3.709 20 0 JHADHN CCOc1ccc([C@@H]2CCCN2c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](C)N(CC)CC)cc1 ZINC001314180969 1069724439 /nfs/dbraw/zinc/72/44/39/1069724439.db2.gz UJOSMSRZUORKDN-WPYKKVEZSA-N 0 3 489.686 3.651 20 0 JHADHN CCCn1c(-c2cc(OC)ccc2Br)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC001307019534 1069728665 /nfs/dbraw/zinc/72/86/65/1069728665.db2.gz IDUWFZFXKPRFHH-SFHVURJKSA-N 0 3 491.478 3.731 20 0 JHADHN C[C@H](NC(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1)c1nc(-c2cccc(F)c2)no1 ZINC001312154300 1069753367 /nfs/dbraw/zinc/75/33/67/1069753367.db2.gz WSHRAOAYKMHMQX-UWJYYQICSA-N 0 3 453.518 3.527 20 0 JHADHN CCCN1CC[C@@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2ccccc2C(F)(F)F)C1 ZINC001307043623 1069775365 /nfs/dbraw/zinc/77/53/65/1069775365.db2.gz LPAZBMXKOZNTQX-IEBWSBKVSA-N 0 3 499.603 3.567 20 0 JHADHN CCCN1CCC(N(C)c2nnc(-c3ccc(Cl)cc3F)n2CC2([S@@](C)=O)CC2)CC1 ZINC001307045225 1069780911 /nfs/dbraw/zinc/78/09/11/1069780911.db2.gz DLEMGYHGSUPXQK-WJOKGBTCSA-N 0 3 468.042 3.959 20 0 JHADHN C[C@@H](NC(=O)NCc1nnc2c(Cl)cc(C(F)(F)F)cn12)[C@H](c1ccccc1)N(C)C ZINC001312207096 1069782127 /nfs/dbraw/zinc/78/21/27/1069782127.db2.gz CVZBSUVPMXZDJP-SJKOYZFVSA-N 0 3 454.884 3.892 20 0 JHADHN CC[C@H](C)N[C@H](CNC(=O)NC[C@H]1[C@H](C)OC(C)(C)N1C(=O)OC(C)(C)C)c1ccco1 ZINC001312269316 1069826728 /nfs/dbraw/zinc/82/67/28/1069826728.db2.gz CSUIGVPNAXGPIX-FJIDUMEYSA-N 0 3 452.596 3.769 20 0 JHADHN CCOc1ccccc1OCc1nnc(N2C[C@H](C)N(CC)C[C@H]2C)n1CC1=CCCOC1 ZINC001314218588 1069859168 /nfs/dbraw/zinc/85/91/68/1069859168.db2.gz UUJPXJGHJGPRFM-VQTJNVASSA-N 0 3 455.603 3.521 20 0 JHADHN CCCN1CCCC[C@@H]1Cn1c(-c2c[nH]c3ccccc23)nnc1N(C)[C@H](C)CS(C)(=O)=O ZINC001307063234 1069861433 /nfs/dbraw/zinc/86/14/33/1069861433.db2.gz OBDITBBKAUUPLA-RTBURBONSA-N 0 3 472.659 3.560 20 0 JHADHN CCOc1ccccc1OCc1nnc(N2C[C@H](C)N(CC)C[C@@H]2C)n1CC[C@@H]1CCOC1 ZINC001314219422 1069863182 /nfs/dbraw/zinc/86/31/82/1069863182.db2.gz YQBZENIGZXOYCE-PCCBWWKXSA-N 0 3 457.619 3.601 20 0 JHADHN CCOc1ccccc1OCc1nnc(N2CCN(C(C)(C)C)CC2)n1C[C@@H]1OCCC1(C)C ZINC001314227625 1069903256 /nfs/dbraw/zinc/90/32/56/1069903256.db2.gz ONGFDQSZZYBJHQ-QFIPXVFZSA-N 0 3 471.646 3.991 20 0 JHADHN CCN(C(=O)N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O)[C@H]1CCN(Cc2ccccc2)C1 ZINC001312391148 1069904418 /nfs/dbraw/zinc/90/44/18/1069904418.db2.gz GHZSFSZASUQQKE-SIKLNZKXSA-N 0 3 458.965 3.890 20 0 JHADHN C[C@H](NC(=O)NCC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)c1ccc[nH]1 ZINC001312433326 1069933441 /nfs/dbraw/zinc/93/34/41/1069933441.db2.gz QBTUTVLXOSCOGH-IBGZPJMESA-N 0 3 455.603 3.934 20 0 JHADHN CN(C(=O)N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001312440968 1069938697 /nfs/dbraw/zinc/93/86/97/1069938697.db2.gz BIELRHDHHXRWSG-UGKGYDQZSA-N 0 3 458.965 3.890 20 0 JHADHN CCO[C@@H]1C[C@@H](N(C)c2nnc(C(=O)NC(C)C)n2C[C@H](c2ccccc2)N2CCCC2)C1(C)C ZINC001314240702 1069942571 /nfs/dbraw/zinc/94/25/71/1069942571.db2.gz UCQWEJMABRQDJR-DNVJHFABSA-N 0 3 482.673 3.893 20 0 JHADHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1C[C@H](CC(=O)N(C)C)c2cc(Cl)ccc21 ZINC001312454428 1069947496 /nfs/dbraw/zinc/94/74/96/1069947496.db2.gz BDTNSONLDCPRPU-LZNRXBQRSA-N 0 3 455.002 3.952 20 0 JHADHN Cc1noc([C@@H]2CCCN(CC[C@@H](NS(=O)(=O)c3ccc(C)cc3)c3ccccc3)C2)n1 ZINC001307426769 1069979605 /nfs/dbraw/zinc/97/96/05/1069979605.db2.gz PSHAWLVTLHQHON-FYYLOGMGSA-N 0 3 454.596 3.976 20 0 JHADHN Cc1noc([C@@H]2CCCN(CC[C@H](NS(=O)(=O)c3ccc(C)cc3)c3ccccc3)C2)n1 ZINC001307426771 1069979817 /nfs/dbraw/zinc/97/98/17/1069979817.db2.gz PSHAWLVTLHQHON-GGAORHGYSA-N 0 3 454.596 3.976 20 0 JHADHN O=C(N[C@H]1CCN(c2ccccc2C(F)(F)F)C1=O)N1CCN(CC2CCCCC2)CC1 ZINC001312518531 1069986291 /nfs/dbraw/zinc/98/62/91/1069986291.db2.gz JAKPHZREGCCZKZ-IBGZPJMESA-N 0 3 452.521 3.718 20 0 JHADHN CN(C)CCN(Cc1ccsc1)C(=O)N[C@@H]1CCN(c2ccccc2C(F)(F)F)C1=O ZINC001312519708 1069986930 /nfs/dbraw/zinc/98/69/30/1069986930.db2.gz QXCPSIOOHQNONI-QGZVFWFLSA-N 0 3 454.518 3.646 20 0 JHADHN CCO[C@@H]1C[C@@H](N(C)c2nnc(-c3cnccn3)n2C[C@@H](c2cccc(F)c2)N(C)C)C1(C)C ZINC001314255983 1069990513 /nfs/dbraw/zinc/99/05/13/1069990513.db2.gz JRMHCMWLFHHYOL-BHDDXSALSA-N 0 3 467.593 3.817 20 0 JHADHN CCO[C@@H]1C[C@H](N(C)c2nnc(-c3cnn(C)c3)n2C[C@H](c2cccc(F)c2)N(C)C)C1(C)C ZINC001314256716 1069993097 /nfs/dbraw/zinc/99/30/97/1069993097.db2.gz LTCWKDDASKDGHJ-BHIFYINESA-N 0 3 469.609 3.760 20 0 JHADHN CCc1ccc(Cl)c(CC)c1NC(=O)CCCN1CCCC[C@@H]1C(=O)N1CCOCC1 ZINC001307452637 1069993195 /nfs/dbraw/zinc/99/31/95/1069993195.db2.gz MSKLBCAJPHYUMT-OAQYLSRUSA-N 0 3 450.023 3.897 20 0 JHADHN CN(C(=O)OC(C)(C)C)C1CCN(C[C@H]2C[C@]3(CCN(C(=O)OC(C)(C)C)C3)CO2)CC1 ZINC001307461952 1069999676 /nfs/dbraw/zinc/99/96/76/1069999676.db2.gz MQORLRWTOXOKND-DVECYGJZSA-N 0 3 453.624 3.734 20 0 JHADHN CCOc1ccc(NC(=O)CN2C[C@H](C)CCC[C@@H]2C)cc1S(=O)(=O)N1CCCCC1 ZINC001307478919 1070007368 /nfs/dbraw/zinc/00/73/68/1070007368.db2.gz MKCAAAWMUGQAKI-MOPGFXCFSA-N 0 3 451.633 3.709 20 0 JHADHN CCN(C(=O)NC[C@H]1CC(c2ccc(OC)c(C)c2)=NO1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001312569384 1070019958 /nfs/dbraw/zinc/01/99/58/1070019958.db2.gz BWBGZWFYKQUPIM-XZOQPEGZSA-N 0 3 450.583 3.803 20 0 JHADHN CCN(C[C@@H]1CCN(CC(=O)N2CCC[C@H]2c2ccc(OC)cc2OC)C1)CC(F)(F)F ZINC001307518241 1070030110 /nfs/dbraw/zinc/03/01/10/1070030110.db2.gz BKBKKVXWSCXRMA-PXNSSMCTSA-N 0 3 457.537 3.573 20 0 JHADHN C[C@@H]1CN(c2ccc(NC(=O)CN(C)[C@@H]3CCCN(Cc4ccccc4)C3)cc2)C[C@@H](C)O1 ZINC001307525202 1070034204 /nfs/dbraw/zinc/03/42/04/1070034204.db2.gz BRBKCXXWYHOHIX-XLGIIRLISA-N 0 3 450.627 3.835 20 0 JHADHN C[C@H](CCc1ccc(I)cc1)NC(=O)N1CCN(C2CC2)C[C@H](C)C1 ZINC001312630687 1070053397 /nfs/dbraw/zinc/05/33/97/1070053397.db2.gz WVDYKECKFLIXEE-JKSUJKDBSA-N 0 3 455.384 3.738 20 0 JHADHN COc1cc(OC)cc(N2CCCN(C[C@@H](O)COc3cc(Cl)cc(Cl)c3)CC2)c1 ZINC001307580676 1070063182 /nfs/dbraw/zinc/06/31/82/1070063182.db2.gz FSDTZWYSWSWJAA-LJQANCHMSA-N 0 3 455.382 3.963 20 0 JHADHN COc1cc(OC)cc(N2CCCN(C[C@H](O)COc3cc(Cl)cc(Cl)c3)CC2)c1 ZINC001307580675 1070062708 /nfs/dbraw/zinc/06/27/08/1070062708.db2.gz FSDTZWYSWSWJAA-IBGZPJMESA-N 0 3 455.382 3.963 20 0 JHADHN C[C@@H]1CN(CC(=O)N[C@H](c2ccccc2)c2ccc3[nH]c(C(F)(F)F)nc3c2)[C@H](C)CN1C ZINC001307590872 1070070236 /nfs/dbraw/zinc/07/02/36/1070070236.db2.gz YGRZUWMVHLGIBA-XCGNWRKASA-N 0 3 459.516 3.812 20 0 JHADHN C[C@@H]1CN(CC(=O)N[C@H](c2ccccc2)c2ccc3nc(C(F)(F)F)[nH]c3c2)[C@H](C)CN1C ZINC001307590872 1070070255 /nfs/dbraw/zinc/07/02/55/1070070255.db2.gz YGRZUWMVHLGIBA-XCGNWRKASA-N 0 3 459.516 3.812 20 0 JHADHN Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1CN1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001307599337 1070074252 /nfs/dbraw/zinc/07/42/52/1070074252.db2.gz JDZKJFDHKAACNT-GOSISDBHSA-N 0 3 452.546 3.876 20 0 JHADHN C[C@@H]1CN(CC(=O)Nc2ccc(S(=O)(=O)N(C)Cc3ccccc3)cc2)[C@@H]2CCCC[C@H]21 ZINC001307604885 1070078232 /nfs/dbraw/zinc/07/82/32/1070078232.db2.gz VOMOTJRJMIKGBI-VEXUSMLFSA-N 0 3 455.624 3.956 20 0 JHADHN C[C@H](NCC(=O)Nc1cccc(CN2CCSCC2)c1)c1ccc(NC(=O)C2CC2)cc1 ZINC001307621283 1070084543 /nfs/dbraw/zinc/08/45/43/1070084543.db2.gz MKYJWEYPUZOCJN-SFHVURJKSA-N 0 3 452.624 3.873 20 0 JHADHN COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CN[C@H](c1ccccc1)C1CC1 ZINC001307614278 1070082568 /nfs/dbraw/zinc/08/25/68/1070082568.db2.gz DIWQLCULNYUWOD-XMMPIXPASA-N 0 3 457.596 3.549 20 0 JHADHN 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CC(C)c1nn(-c2ccc(Br)cc2)cc1CNC[C@@H]1COC2(CCOCC2)O1 ZINC001308349998 1070360426 /nfs/dbraw/zinc/36/04/26/1070360426.db2.gz PBJBPQHJEQPIBY-LJQANCHMSA-N 0 3 450.377 3.770 20 0 JHADHN COc1cc(F)c(CNC2CCN([C@@H](C)c3ccc(S(C)(=O)=O)cc3)CC2)cc1OC ZINC001308411776 1070372171 /nfs/dbraw/zinc/37/21/71/1070372171.db2.gz GSLZSUIUWRLGGI-INIZCTEOSA-N 0 3 450.576 3.562 20 0 JHADHN CCCN1CCC[C@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 ZINC001313448865 1070372275 /nfs/dbraw/zinc/37/22/75/1070372275.db2.gz SJYAMKPRGPZOTL-SFTDATJTSA-N 0 3 480.078 3.876 20 0 JHADHN CCOc1c(Br)cc(Br)cc1CN[C@H](CC)CN1CCOCC1 ZINC001308526820 1070386145 /nfs/dbraw/zinc/38/61/45/1070386145.db2.gz PYIMQMNCYCEGNV-OAHLLOKOSA-N 0 3 450.215 3.811 20 0 JHADHN CCN1CCN(C(=O)CC2CCN(Cc3ccnc4c(Br)cccc34)CC2)CC1 ZINC001308585412 1070394905 /nfs/dbraw/zinc/39/49/05/1070394905.db2.gz CHRZXKOXNFWFSC-UHFFFAOYSA-N 0 3 459.432 3.764 20 0 JHADHN CN(CCN1CCN(Cc2cn(-c3cccc(Cl)c3Cl)nn2)CC1)Cc1ccccc1 ZINC001308615061 1070402424 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CCCOc1cccc(CCn2c(N3CC[C@@H](N4CCN(CC)CC4)C3)nnc2C(C)(C)C)c1 ZINC001313516549 1070576787 /nfs/dbraw/zinc/57/67/87/1070576787.db2.gz TZRXYTMGQKLGQL-HSZRJFAPSA-N 0 3 468.690 3.823 20 0 JHADHN CCCOc1ncccc1Cn1c([C@@H](C)CC)nnc1N1CCN(C2CCOCC2)C[C@@H]1C ZINC001313518055 1070581557 /nfs/dbraw/zinc/58/15/57/1070581557.db2.gz KNQSKPPGVCCYAP-PMACEKPBSA-N 0 3 456.635 3.713 20 0 JHADHN CC[S@@](=O)CCn1c(COc2ccc(Cl)cc2)nnc1N1CCN(C2CCC2)C[C@@H](C)C1 ZINC001314579264 1070589774 /nfs/dbraw/zinc/58/97/74/1070589774.db2.gz MZAFDNKBGBQHST-ZUQCGGBESA-N 0 3 480.078 3.590 20 0 JHADHN COC(=O)c1cc(S(=O)(=O)N(C)[C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)ccc1Cl ZINC001309203257 1070604614 /nfs/dbraw/zinc/60/46/14/1070604614.db2.gz WCEDXVMIGPJSOG-SJLPKXTDSA-N 0 3 450.988 3.800 20 0 JHADHN CCS[C@@H]1CCCCN(c2nnc(C(C)(C)C)n2CCCN2CCC[C@@H]2C(=O)N(C)C)C1 ZINC001314592616 1070626078 /nfs/dbraw/zinc/62/60/78/1070626078.db2.gz RKJBHOROGKFAAO-WOJBJXKFSA-N 0 3 464.724 3.630 20 0 JHADHN C[C@H]1CN(Cc2ccccc2)CC[C@H]1NS(=O)(=O)Cc1cccc(F)c1Br ZINC001309247768 1070643182 /nfs/dbraw/zinc/64/31/82/1070643182.db2.gz BSSUKTUDECFAIK-HNAYVOBHSA-N 0 3 455.393 3.918 20 0 JHADHN CCN(C)C(=O)Cn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1C[C@H](C)N(CC)C[C@@H]1C ZINC001313548689 1070663087 /nfs/dbraw/zinc/66/30/87/1070663087.db2.gz OWNCSZYAQXFGRR-BZSNNMDCSA-N 0 3 458.676 3.529 20 0 JHADHN CCS[C@@H]1CCCCN(c2nnc(CC(C)C)n2C[C@@H](C)CN2CCN(CC)CC2)C1 ZINC001314603710 1070658480 /nfs/dbraw/zinc/65/84/80/1070658480.db2.gz MLYUBJLHYCSXGF-FCHUYYIVSA-N 0 3 450.741 3.862 20 0 JHADHN CN(C)C[C@H]1CN(S(=O)(=O)c2oc3ccccc3c2Br)c2ccccc2O1 ZINC001309308465 1070687432 /nfs/dbraw/zinc/68/74/32/1070687432.db2.gz DDYYAZLYUYJQDP-ZDUSSCGKSA-N 0 3 451.342 3.713 20 0 JHADHN CCSCCCn1c(-c2nn(CC)c(=O)c3ccccc32)nnc1N1C[C@H](C)N(CC)C[C@@H]1C ZINC001314618252 1070691788 /nfs/dbraw/zinc/69/17/88/1070691788.db2.gz RKEKAEJMQOSEEW-OALUTQOASA-N 0 3 483.686 3.737 20 0 JHADHN CCN(c1nnc(-c2ccc(Cl)cc2)n1C[C@H]1CCCN(C(C)C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001313587676 1070713986 /nfs/dbraw/zinc/71/39/86/1070713986.db2.gz LJGOUUFEPIKIII-GHTZIAJQSA-N 0 3 480.078 3.732 20 0 JHADHN CCN(c1nnc(-c2ccccc2Cl)n1C[C@H](CC(C)C)N(C)C)[C@H]1CCS(=O)(=O)C1 ZINC001313592298 1070719333 /nfs/dbraw/zinc/71/93/33/1070719333.db2.gz PYVGJOZWMYHBJI-ROUUACIJSA-N 0 3 468.067 3.588 20 0 JHADHN CN(C)C(=O)[C@@H]1CCCN1CCCn1c(N2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)nnc1C(C)(C)C ZINC001314628181 1070723488 /nfs/dbraw/zinc/72/34/88/1070723488.db2.gz GUMLGRQJVYAWJU-PNLZDCPESA-N 0 3 485.504 3.538 20 0 JHADHN CCN(c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCCN1CCC(C)CC1)[C@@H](C)C1CCC1 ZINC001313602927 1070725667 /nfs/dbraw/zinc/72/56/67/1070725667.db2.gz BXBLFCRDGPGALX-UNMCSNQZSA-N 0 3 465.708 3.707 20 0 JHADHN CN(C)C(=O)CCn1c(-c2ccc(COc3ccccc3)o2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001314633046 1070736429 /nfs/dbraw/zinc/73/64/29/1070736429.db2.gz BJOANFMUMJNFGN-UHFFFAOYSA-N 0 3 480.613 3.516 20 0 JHADHN CN(C)[C@H](Cn1c(C2CCC2)nnc1N1CCCN(CC(F)(F)F)CC1)c1cccs1 ZINC001314651775 1070761955 /nfs/dbraw/zinc/76/19/55/1070761955.db2.gz SAWDSMMYXGIFSQ-QGZVFWFLSA-N 0 3 456.582 3.984 20 0 JHADHN CCN(C[C@@H](O)c1ccc(C)cc1)c1nnc(CC2CCCC2)n1CCN1CCN(C)C(C)(C)C1 ZINC001313633449 1070764581 /nfs/dbraw/zinc/76/45/81/1070764581.db2.gz AKGCCLSWSVOUMH-RUZDIDTESA-N 0 3 482.717 3.905 20 0 JHADHN CN(C)[C@@H](Cn1c(Nc2cnn(C)c2)nnc1-c1cc(Br)cn1C)c1ccc(F)cc1 ZINC001314654842 1070770420 /nfs/dbraw/zinc/77/04/20/1070770420.db2.gz XAQHIOCKZIMGBY-IBGZPJMESA-N 0 3 487.381 3.965 20 0 JHADHN CCN(CC)C(=O)c1ccc(Cn2c(Cc3ccncc3)nnc2N2C[C@H](C)N(CC)C[C@H]2C)cc1 ZINC001313636463 1070772745 /nfs/dbraw/zinc/77/27/45/1070772745.db2.gz KSJWUCSTZXDZRB-FCHUYYIVSA-N 0 3 489.668 3.713 20 0 JHADHN CCn1cc(CNS(=O)(=O)[C@@H]2CN(Cc3ccccc3)C[C@H]2c2ccc(Cl)cc2)cn1 ZINC001309473465 1070792970 /nfs/dbraw/zinc/79/29/70/1070792970.db2.gz ACGXKHBAMMVMOK-XZOQPEGZSA-N 0 3 459.015 3.644 20 0 JHADHN CCN(CC)C(=O)N1CCN(c2nnc(C3CCC3)n2C[C@H](c2ccco2)N(CC)CC)CC1 ZINC001313650901 1070823869 /nfs/dbraw/zinc/82/38/69/1070823869.db2.gz SVJJMYUFXVZBOR-OAQYLSRUSA-N 0 3 471.650 3.806 20 0 JHADHN COc1ccc(S(=O)(=O)NC2C[C@H]3CCC[C@@H](C2)N3Cc2ccccc2)cc1NC(C)=O ZINC001309533638 1070834427 /nfs/dbraw/zinc/83/44/27/1070834427.db2.gz WBXUSIBFQYSNSH-SEJPIABJSA-N 0 3 457.596 3.518 20 0 JHADHN CCN(CC)C(=O)N1CCN(c2nnc(-c3ccc(C)o3)n2C[C@@H](c2ccsc2)N(C)C)CC1 ZINC001313653991 1070835919 /nfs/dbraw/zinc/83/59/19/1070835919.db2.gz GOUCSTBWFZOHMB-FQEVSTJZSA-N 0 3 485.658 3.795 20 0 JHADHN COC(=O)[C@@H]1CC[C@H](S(=O)(=O)N2CCCCC[C@@H]2C2CCN(Cc3ccccc3)CC2)C1 ZINC001309565486 1070860475 /nfs/dbraw/zinc/86/04/75/1070860475.db2.gz LGORCIUBQAWABX-TZRRMPRUSA-N 0 3 462.656 3.815 20 0 JHADHN CCN(CC)[C@H](Cn1c(C)nnc1N1Cc2c(OC)ccc(OC)c2[C@@H](O)C1)c1ccsc1 ZINC001313663936 1070874849 /nfs/dbraw/zinc/87/48/49/1070874849.db2.gz ISHGSBZZVJWRGT-UXHICEINSA-N 0 3 471.627 3.802 20 0 JHADHN CN(C)[C@H](Cn1c(Cc2ccccc2F)nnc1N(C)CC(=O)NC(C)(C)C)c1cccs1 ZINC001314709077 1070883569 /nfs/dbraw/zinc/88/35/69/1070883569.db2.gz RLEIIESHUNNEST-LJQANCHMSA-N 0 3 472.634 3.723 20 0 JHADHN CN(C)[C@@H](Cn1c([C@@H]2CCOC2)nnc1N(C)CC(=O)Nc1cccc(Cl)c1)c1cccs1 ZINC001314710059 1070887654 /nfs/dbraw/zinc/88/76/54/1070887654.db2.gz PCNNAKOMVRFDRL-APWZRJJASA-N 0 3 489.045 3.875 20 0 JHADHN O=S(=O)(C[C@@]12CCN(C1)CCC2)N1CCN(c2cc(Cl)c(Cl)c(Cl)c2)CC1 ZINC001309630837 1070892928 /nfs/dbraw/zinc/89/29/28/1070892928.db2.gz KPNGESDAUPLZME-SFHVURJKSA-N 0 3 452.835 3.585 20 0 JHADHN CCN(CC)[C@H](Cn1c(C2CCC2)nnc1N1CCN(CC(C)C)C(=O)[C@@H]1C)c1ccco1 ZINC001313670657 1070897518 /nfs/dbraw/zinc/89/75/18/1070897518.db2.gz BBIJBGGPZRDPHF-PZJWPPBQSA-N 0 3 456.635 3.915 20 0 JHADHN CCN(CC)[C@H](Cn1c([C@@H]2CCCCO2)nnc1N1CCC(NC(C)=O)CC1)c1ccsc1 ZINC001313672056 1070902358 /nfs/dbraw/zinc/90/23/58/1070902358.db2.gz MHIJIFXIWJQLBS-YADHBBJMSA-N 0 3 474.675 3.769 20 0 JHADHN CCN(CC)[C@@H](Cn1c([C@@H]2CCCOC2)nnc1N(C)C1CCC(NC(C)=O)CC1)c1ccco1 ZINC001313672439 1070904173 /nfs/dbraw/zinc/90/41/73/1070904173.db2.gz OCNUEFGTATXAFJ-PLYUQDFWSA-N 0 3 486.661 3.732 20 0 JHADHN CCN(CC)[C@@H](Cn1c(N2CCN(c3nccnc3C)CC2)nnc1C(C)(C)C)c1ccco1 ZINC001313676350 1070920246 /nfs/dbraw/zinc/92/02/46/1070920246.db2.gz WHZFGMDAJDAHNG-FQEVSTJZSA-N 0 3 466.634 3.677 20 0 JHADHN CN(Cc1ccc(Br)o1)c1nnc(Cc2ccccn2)n1CCN1CC=CCC1 ZINC001314725154 1070928583 /nfs/dbraw/zinc/92/85/83/1070928583.db2.gz FFFVTISGMMRPOR-UHFFFAOYSA-N 0 3 457.376 3.518 20 0 JHADHN CN(C)[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(Br)o1)c1cccs1 ZINC001314727041 1070936374 /nfs/dbraw/zinc/93/63/74/1070936374.db2.gz XFYBKFOIBOBMHM-GJZGRUSLSA-N 0 3 493.431 3.586 20 0 JHADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccccc3OC)n2CC2CCCCC2)CC1 ZINC001313698873 1070971720 /nfs/dbraw/zinc/97/17/20/1070971720.db2.gz DERDSKHVAOWRDK-UHFFFAOYSA-N 0 3 468.646 3.524 20 0 JHADHN CCN(CC)CC(=O)N1CCN(c2nnc(CSc3ccc(Cl)cc3)n2C[C@H]2C[C@@H]2C)CC1 ZINC001313698802 1070971811 /nfs/dbraw/zinc/97/18/11/1070971811.db2.gz MRGVVOHMRPZRQV-RBUKOAKNSA-N 0 3 491.105 3.870 20 0 JHADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccc4ccccc4n3)n2CCC(C)(F)F)CC1 ZINC001313700022 1070975971 /nfs/dbraw/zinc/97/59/71/1070975971.db2.gz SOEAJNYBVHKPIA-UHFFFAOYSA-N 0 3 485.583 3.529 20 0 JHADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccccc3C)n2C[C@@H]2CCCO[C@H]2C(C)C)CC1 ZINC001313700371 1070977363 /nfs/dbraw/zinc/97/73/63/1070977363.db2.gz WNMWHWWBKOFPED-OZXSUGGESA-N 0 3 496.700 3.695 20 0 JHADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@H](C)Oc3cccc(C)c3C)n2[C@@H]2C[C@@H]2C)CC1 ZINC001313700881 1070978165 /nfs/dbraw/zinc/97/81/65/1070978165.db2.gz MHHQJHLLGSKBBZ-ILWGZMRPSA-N 0 3 468.646 3.606 20 0 JHADHN CN(Cc1cccc(Cl)c1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN(C)C1CCCCC1 ZINC001314744645 1070986386 /nfs/dbraw/zinc/98/63/86/1070986386.db2.gz IDGWVRBQPYYUQO-IBGZPJMESA-N 0 3 480.078 3.735 20 0 JHADHN CCOC(=O)c1cc(S(=O)(=O)N(C)C[C@H]2CCN(Cc3ccc(C)s3)C2)ccc1F ZINC001309831492 1070988711 /nfs/dbraw/zinc/98/87/11/1070988711.db2.gz ZSQLEBFENBUNGT-MRXNPFEDSA-N 0 3 454.589 3.515 20 0 JHADHN CN(Cc1ccco1)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(C)(C)CN1CCCC1 ZINC001314757574 1071011636 /nfs/dbraw/zinc/01/16/36/1071011636.db2.gz OTHRNRJQXIOXRE-UHFFFAOYSA-N 0 3 471.627 3.700 20 0 JHADHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)Nc1ccc(C(=O)N(C)C2CCOCC2)cc1 ZINC001309975269 1071034574 /nfs/dbraw/zinc/03/45/74/1071034574.db2.gz KEKAKYWICUTNSU-CYFREDJKSA-N 0 3 450.583 3.580 20 0 JHADHN CN(C)[C@@H](Cn1c(-c2cccn2C)nnc1N(C)Cc1ncc(Cl)n1C)c1cccc(F)c1 ZINC001314773394 1071042079 /nfs/dbraw/zinc/04/20/79/1071042079.db2.gz BSCHJZMSARLICL-IBGZPJMESA-N 0 3 470.984 3.749 20 0 JHADHN COc1ccccc1NC(=O)c1ccc(NC(=O)N2CCN(C3CCOCC3)C[C@H]2C)cc1 ZINC001310005634 1071052874 /nfs/dbraw/zinc/05/28/74/1071052874.db2.gz OZRBLFMDFTVZPB-GOSISDBHSA-N 0 3 452.555 3.665 20 0 JHADHN C[C@H]1CN(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCCC2)CC[C@@H]1N1CCN(C)CC1 ZINC001310018837 1071063437 /nfs/dbraw/zinc/06/34/37/1071063437.db2.gz HPLVCTAXOIXLKV-PXNSSMCTSA-N 0 3 453.553 3.795 20 0 JHADHN CN(C)[C@H](Cn1c(-c2cc(Br)cn2C)nnc1N(C)C[C@H]1CCOC1)c1ccsc1 ZINC001314812465 1071109725 /nfs/dbraw/zinc/10/97/25/1071109725.db2.gz WYXJNCWRVVFYNG-DNVCBOLYSA-N 0 3 493.475 3.883 20 0 JHADHN Cc1cccc(NC(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)c1C(=O)N1CCCC1 ZINC001310125743 1071137116 /nfs/dbraw/zinc/13/71/16/1071137116.db2.gz AOQACNQTWIXTPU-QFIPXVFZSA-N 0 3 450.583 3.644 20 0 JHADHN COc1ccccc1OCC(=O)Nc1cccc(NC(=O)NC[C@H]2CCCCN2C2CC2)c1 ZINC001310159781 1071164883 /nfs/dbraw/zinc/16/48/83/1071164883.db2.gz PQXWUXVARVAQLC-OAQYLSRUSA-N 0 3 452.555 3.851 20 0 JHADHN C[C@@H]1CN(C(=O)Nc2ccc(NC(=O)c3ccco3)c(Cl)c2)CC[C@H]1N1CCN(C)CC1 ZINC001310180997 1071186453 /nfs/dbraw/zinc/18/64/53/1071186453.db2.gz SEOHDKXBOFBYHQ-OXQOHEQNSA-N 0 3 459.978 3.675 20 0 JHADHN CCN(CCC1CC1)c1nnc(-c2cc(Br)c[nH]2)n1CCN1CCN(C)C(C)(C)C1 ZINC001313795325 1071193885 /nfs/dbraw/zinc/19/38/85/1071193885.db2.gz VQLIONITZYDFKG-UHFFFAOYSA-N 0 3 478.483 3.688 20 0 JHADHN CCN(CCn1c(-c2cccc(OC)c2)nnc1N1CCc2oncc2C1)CCC(F)(F)F ZINC001313802030 1071207336 /nfs/dbraw/zinc/20/73/36/1071207336.db2.gz BUUFZGLMFGAEIZ-UHFFFAOYSA-N 0 3 464.492 3.779 20 0 JHADHN CCN(CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[C@@H](C(C)(C)C)C1)C(C)C ZINC001313802943 1071209676 /nfs/dbraw/zinc/20/96/76/1071209676.db2.gz LKFHCTGDABRFBO-HXUWFJFHSA-N 0 3 461.676 3.951 20 0 JHADHN Cc1cc(N2CCSCC2)ccc1NC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC001310213713 1071211122 /nfs/dbraw/zinc/21/11/22/1071211122.db2.gz HNSQRWWWIARGEZ-ZJSXRUAMSA-N 0 3 454.640 3.553 20 0 JHADHN CN(C)[C@@H](Cn1c(-c2ccc3ccccc3n2)nnc1N(C)CCCS(C)(=O)=O)C1CCCCC1 ZINC001314853139 1071229222 /nfs/dbraw/zinc/22/92/22/1071229222.db2.gz VTGFOBKVTBKWJA-DEOSSOPVSA-N 0 3 498.697 3.875 20 0 JHADHN CCN(CCn1c(-c2ccccn2)nnc1N1CC[C@@]2(CCSC2)C1)CCC(F)(F)F ZINC001313808270 1071232607 /nfs/dbraw/zinc/23/26/07/1071232607.db2.gz MCCBQHDLPWOERX-HXUWFJFHSA-N 0 3 454.566 3.948 20 0 JHADHN CN(C)C1(Cn2c(Cc3ccc(Cl)cc3)nnc2N(C)CCCS(C)(=O)=O)CCCCC1 ZINC001314854717 1071234059 /nfs/dbraw/zinc/23/40/59/1071234059.db2.gz DPFSADSNCMUSOY-UHFFFAOYSA-N 0 3 482.094 3.658 20 0 JHADHN COC1CCN(CCNC(=O)Nc2ccc(N3C[C@@H](C)O[C@@H](C)C3)c(C(F)(F)F)c2)CC1 ZINC001310254771 1071241674 /nfs/dbraw/zinc/24/16/74/1071241674.db2.gz AZDANZMENPYQQZ-IYBDPMFKSA-N 0 3 458.525 3.551 20 0 JHADHN CCN(CCn1c(-c2cccn2C)nnc1N1CC[C@@](O)(c2ccc(C)cc2)C1)CCC(F)(F)F ZINC001313810921 1071243891 /nfs/dbraw/zinc/24/38/91/1071243891.db2.gz OYOACTMXVDDHNG-DEOSSOPVSA-N 0 3 490.574 3.964 20 0 JHADHN CCN(CCn1c(-c2ccc[nH]2)nnc1N1CCN(CC(F)(F)F)[C@@H](C)C1)CCC(F)(F)F ZINC001313811180 1071244584 /nfs/dbraw/zinc/24/45/84/1071244584.db2.gz UQQCTWPLNIGAJL-HNNXBMFYSA-N 0 3 481.489 3.620 20 0 JHADHN CCN(CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCCO[C@H](C)C1)CCC(F)(F)F ZINC001313812236 1071249970 /nfs/dbraw/zinc/24/99/70/1071249970.db2.gz UCQQOFPWBFCACK-QGZVFWFLSA-N 0 3 485.551 3.852 20 0 JHADHN CCN(CCn1c(-c2cccn2C)nnc1N1CCC(C(=O)N(C)C(C)C)CC1)CCC(F)(F)F ZINC001313811610 1071247092 /nfs/dbraw/zinc/24/70/92/1071247092.db2.gz WYUGOLKEHCLZEC-UHFFFAOYSA-N 0 3 497.610 3.641 20 0 JHADHN CN(CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1)C1CCCC1 ZINC001314862428 1071255835 /nfs/dbraw/zinc/25/58/35/1071255835.db2.gz BMLSEZSDHZPIKB-QFIPXVFZSA-N 0 3 494.105 3.800 20 0 JHADHN CN(CCn1c([C@H]2CCCCO2)nnc1N(C)Cc1ncc(Cl)n1C)Cc1ccc(F)cc1 ZINC001314866111 1071269645 /nfs/dbraw/zinc/26/96/45/1071269645.db2.gz RFVROMQPVFSYGR-LJQANCHMSA-N 0 3 476.000 3.814 20 0 JHADHN CN(CCn1c(N2C[C@@]3(CCOC3)OC(C)(C)C2)nnc1C(C)(C)C)Cc1ccc(F)cc1 ZINC001314867455 1071273807 /nfs/dbraw/zinc/27/38/07/1071273807.db2.gz ZFVCOVMWYUBJFI-RUZDIDTESA-N 0 3 459.610 3.621 20 0 JHADHN CCN(CCn1c([C@H]2CCCO2)nnc1N1CCN(C2CCCCC2)CC1)C(=O)OC(C)(C)C ZINC001313827158 1071298303 /nfs/dbraw/zinc/29/83/03/1071298303.db2.gz SPFGPXLGVYJPNH-OAQYLSRUSA-N 0 3 476.666 3.841 20 0 JHADHN O=C(NC[C@H]1CCCCN1Cc1ccccc1)Nc1ccc(S(=O)(=O)NCC2CC2)cc1 ZINC001310321795 1071305091 /nfs/dbraw/zinc/30/50/91/1071305091.db2.gz BACDZJHHHKOCIN-JOCHJYFZSA-N 0 3 456.612 3.551 20 0 JHADHN CC[C@@H](CNC(=O)Nc1ccc(NS(C)(=O)=O)c(Cl)c1)N1CCc2ccccc2C1 ZINC001310341584 1071324507 /nfs/dbraw/zinc/32/45/07/1071324507.db2.gz ALWYOWRPOJKVOT-SFHVURJKSA-N 0 3 450.992 3.670 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2Cc2csc(COC)n2)C[C@@H]1C ZINC001313859015 1071363092 /nfs/dbraw/zinc/36/30/92/1071363092.db2.gz ITIFCORNJXNYMK-RBUKOAKNSA-N 0 3 497.669 3.717 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(-c3cc(Br)c[nH]3)n2CCCOC2CCOCC2)C[C@H]1C ZINC001313859623 1071365297 /nfs/dbraw/zinc/36/52/97/1071365297.db2.gz HHXOHLYYOLXOGV-IAGOWNOFSA-N 0 3 495.466 3.540 20 0 JHADHN CCN1C[C@H](C)N(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2C[C@@H](F)COC)C[C@@H]1C ZINC001313860360 1071368321 /nfs/dbraw/zinc/36/83/21/1071368321.db2.gz JQVZVFFKUYMHJD-LSTDLKDCSA-N 0 3 453.990 3.975 20 0 JHADHN CCN1C[C@H](C)N(c2nnc([C@H](C)OCCOC)n2Cc2cccc(Cl)c2C)C[C@@H]1C ZINC001313861540 1071374096 /nfs/dbraw/zinc/37/40/96/1071374096.db2.gz NNQQPZPCCUKTMH-LNLFQRSKSA-N 0 3 450.027 3.931 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(-c3cccc(OC)c3)n2CCN(C)C(=O)OC(C)(C)C)C[C@@H]1C ZINC001313863008 1071379184 /nfs/dbraw/zinc/37/91/84/1071379184.db2.gz UJWLZEDIUYVJNR-RBUKOAKNSA-N 0 3 472.634 3.740 20 0 JHADHN CCN1C[C@H](C)N(c2nnc([C@@H]3CCOC3)n2Cc2ccc(OCC(F)(F)F)cc2)C[C@H]1C ZINC001313863793 1071383307 /nfs/dbraw/zinc/38/33/07/1071383307.db2.gz BAYOGSBANFXYNB-ZIFCJYIRSA-N 0 3 467.536 3.690 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCCOC2CCOCC2)C[C@@H]1C ZINC001313863016 1071379459 /nfs/dbraw/zinc/37/94/59/1071379459.db2.gz UVVGJVLLYFSVAF-VXKWHMMOSA-N 0 3 498.672 3.652 20 0 JHADHN CNC(=O)C(C)(C)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN(C(C)(C)C)CC1 ZINC001314937337 1071387387 /nfs/dbraw/zinc/38/73/87/1071387387.db2.gz VLAZXUVGWANGOV-UHFFFAOYSA-N 0 3 467.445 3.945 20 0 JHADHN CCN1C[C@H](C)N(c2nnc([C@H](C)Oc3ccccc3F)n2Cc2ccc(NC(C)=O)nc2)C[C@H]1C ZINC001313864768 1071388007 /nfs/dbraw/zinc/38/80/07/1071388007.db2.gz VXDWBOKSFXHXMS-QYZOEREBSA-N 0 3 495.603 3.878 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2Cc2occc2C)C[C@@H]1C ZINC001313865340 1071391892 /nfs/dbraw/zinc/39/18/92/1071391892.db2.gz ZCBQWKSTFNUVFV-ROUUACIJSA-N 0 3 471.005 3.730 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2Cc2occc2C)C[C@H]1C ZINC001313865337 1071392440 /nfs/dbraw/zinc/39/24/40/1071392440.db2.gz ZCBQWKSTFNUVFV-QZTJIDSGSA-N 0 3 471.005 3.730 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3cccc(C)n3)n2Cc2ccc(F)c(COC)c2)C[C@H]1C ZINC001313865030 1071390037 /nfs/dbraw/zinc/39/00/37/1071390037.db2.gz NOONWIVBOBINFK-MOPGFXCFSA-N 0 3 452.578 3.901 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@H]2CCO[C@@H]2C(C)C)C[C@H]1C ZINC001313867137 1071397807 /nfs/dbraw/zinc/39/78/07/1071397807.db2.gz LPMNFQIRVPMCRU-RLIDHQHUSA-N 0 3 471.646 3.942 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(CCCOc3ccc(Cl)cc3C)n2CC2(O)CC2)C[C@@H]1C ZINC001313867178 1071399187 /nfs/dbraw/zinc/39/91/87/1071399187.db2.gz IAPPXLCRWUMMCN-RBUKOAKNSA-N 0 3 462.038 3.695 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(Cc3ccccc3OC)n2C[C@@H]2CCO[C@H]2C(C)C)C[C@H]1C ZINC001313868163 1071403470 /nfs/dbraw/zinc/40/34/70/1071403470.db2.gz BCGKBUZUPKZWHU-AWZJCTCXSA-N 0 3 455.647 3.858 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(Cc3ccccc3F)n2C[C@](C)(O)c2ccsc2)C[C@@H]1C ZINC001313869913 1071410439 /nfs/dbraw/zinc/41/04/39/1071410439.db2.gz CQSOHXDFJSHAFO-XFAGBWLFSA-N 0 3 457.619 3.896 20 0 JHADHN CCN1C[C@H](C)N(c2nnc([C@H]3CCCCO3)n2CCCCn2cc(Br)cn2)C[C@H]1C ZINC001313868776 1071406598 /nfs/dbraw/zinc/40/65/98/1071406598.db2.gz NWOKNDZBNPIXNH-WSTZPKSXSA-N 0 3 494.482 3.878 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(Cc3ccc(Cl)cc3)n2Cc2cccnc2OCCOC)C[C@@H]1C ZINC001313869963 1071411486 /nfs/dbraw/zinc/41/14/86/1071411486.db2.gz DFFGYLUZNUDYFE-PMACEKPBSA-N 0 3 499.059 3.910 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(CCCc3ccccc3)n2CCNC(=O)OC(C)(C)C)C[C@@H]1C ZINC001313869429 1071409286 /nfs/dbraw/zinc/40/92/86/1071409286.db2.gz PTABRAZMNJWWQL-LEWJYISDSA-N 0 3 470.662 3.897 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3cccc(C)n3)n2Cc2cccc(NC(=O)OC)c2)C[C@H]1C ZINC001313870193 1071412406 /nfs/dbraw/zinc/41/24/06/1071412406.db2.gz ZAUANVCUOLZWOB-MOPGFXCFSA-N 0 3 463.586 3.794 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(CCc3ccc(OC)cc3)n2CC(F)(F)Br)C[C@@H]1C ZINC001313870680 1071415288 /nfs/dbraw/zinc/41/52/88/1071415288.db2.gz VMZBVDGVBHEBMR-JKSUJKDBSA-N 0 3 486.405 3.979 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(Cc3c[nH]c4ccccc34)n2CCNC(=O)OC(C)(C)C)C[C@@H]1C ZINC001313871417 1071416684 /nfs/dbraw/zinc/41/66/84/1071416684.db2.gz YZBRHFQWECMXKS-OALUTQOASA-N 0 3 481.645 3.794 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(-c3ccc(Cl)cc3OC)n2CCCNC(=O)C(C)C)C[C@H]1C ZINC001313871955 1071420065 /nfs/dbraw/zinc/42/00/65/1071420065.db2.gz VYBGSCGCTDIWOI-QZTJIDSGSA-N 0 3 477.053 3.688 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(COc3ccc(C)cc3)n2CCCNC(=O)c2occc2C)C[C@H]1C ZINC001313873016 1071423801 /nfs/dbraw/zinc/42/38/01/1071423801.db2.gz BPIULJSSRVOVCF-YADHBBJMSA-N 0 3 494.640 3.806 20 0 JHADHN Cc1cc(NC(=O)NCc2ccc(CN3CCN(C)CC3)cc2)nn1-c1ccccc1Cl ZINC001310482458 1071424479 /nfs/dbraw/zinc/42/44/79/1071424479.db2.gz FHTBCJXTVLOEPU-UHFFFAOYSA-N 0 3 452.990 3.903 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(Cc3ccccn3)n2C[C@@H](C)CN(C)C(=O)OC(C)(C)C)C[C@H]1C ZINC001313874374 1071428046 /nfs/dbraw/zinc/42/80/46/1071428046.db2.gz NQZJEVAQUZBYRH-HBMCJLEFSA-N 0 3 485.677 3.686 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(COc3cccc(C)c3)n2C[C@H]2CCN(CC(F)(F)F)C2)C[C@H]1C ZINC001313873789 1071426480 /nfs/dbraw/zinc/42/64/80/1071426480.db2.gz DJAYWDDWULSZKR-HKBOAZHASA-N 0 3 494.606 3.969 20 0 JHADHN CCN(CC)[C@H](CNC(=O)Nc1ccc(C)c(S(=O)(=O)NC2CC2)c1)c1ccsc1 ZINC001310490153 1071428351 /nfs/dbraw/zinc/42/83/51/1071428351.db2.gz BHBKCAALVHSRKJ-LJQANCHMSA-N 0 3 450.630 3.702 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3cccnc3)n2C[C@@H](C)Oc2ccccc2OC)C[C@H]1C ZINC001313872659 1071423130 /nfs/dbraw/zinc/42/31/30/1071423130.db2.gz KBKZNSAPUAQBCU-HSALFYBXSA-N 0 3 450.587 3.735 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(Cl)cc2OC)C[C@@H]1C ZINC001313875109 1071432179 /nfs/dbraw/zinc/43/21/79/1071432179.db2.gz LBBUJCZVIYUALH-OALUTQOASA-N 0 3 472.037 3.769 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(-c3cccnc3)n2Cc2c(Cl)c(C(F)(F)F)nn2C)C[C@@H]1C ZINC001313875168 1071432853 /nfs/dbraw/zinc/43/28/53/1071432853.db2.gz RBEOVLFJTAIEPG-UONOGXRCSA-N 0 3 482.942 3.713 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3ccccn3)n2C[C@@](C)(O)c2ccccc2Cl)C[C@@H]1C ZINC001313876583 1071438296 /nfs/dbraw/zinc/43/82/96/1071438296.db2.gz UIOKWUZGGWLTCR-LLJLJFOGSA-N 0 3 455.006 3.820 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(Cn3nc(C)cc3C)n2C[C@H](C)Oc2ccccc2OC)C[C@@H]1C ZINC001313875478 1071434610 /nfs/dbraw/zinc/43/46/10/1071434610.db2.gz LVSZYUYJABNHGD-FKBYEOEOSA-N 0 3 481.645 3.535 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(Cn3nc(C)cc3C)n2C[C@@H](C)Oc2ccccc2OC)C[C@H]1C ZINC001313875476 1071434714 /nfs/dbraw/zinc/43/47/14/1071434714.db2.gz LVSZYUYJABNHGD-BHIFYINESA-N 0 3 481.645 3.535 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(Cc3c(F)cccc3F)n2CCOc2ncccc2F)C[C@@H]1C ZINC001313878640 1071445269 /nfs/dbraw/zinc/44/52/69/1071445269.db2.gz WQZDMMICKHPHJX-IRXDYDNUSA-N 0 3 474.531 3.679 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3ccccc3Br)n2CCC2(O)CCC2)C[C@H]1C ZINC001313878847 1071445843 /nfs/dbraw/zinc/44/58/43/1071445843.db2.gz ZCKSXSILIZCYQX-SJORKVTESA-N 0 3 462.436 3.932 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(-c3ccccn3)n2CCc2ccc(OC)cc2OC)C[C@H]1C ZINC001313878835 1071445994 /nfs/dbraw/zinc/44/59/94/1071445994.db2.gz ZAFVVLMYBMGSGO-RTBURBONSA-N 0 3 450.587 3.519 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(COc3ccc(OC)cc3)n2Cc2ncccc2C)C[C@H]1C ZINC001313879368 1071449547 /nfs/dbraw/zinc/44/95/47/1071449547.db2.gz ZNPZTPITRRUFFX-UXHICEINSA-N 0 3 450.587 3.536 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(COc3ccccc3OC)n2Cc2cnn(CC(C)C)c2C)C[C@H]1C ZINC001313885870 1071468297 /nfs/dbraw/zinc/46/82/97/1071468297.db2.gz QRPAJWKOPLFQDT-RTWAWAEBSA-N 0 3 495.672 3.994 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(CSc3ccc(C)cc3)n2CCCC(=O)N(C)C)C[C@H]1C ZINC001313888558 1071477727 /nfs/dbraw/zinc/47/77/27/1071477727.db2.gz WOWZXXSFAHRSOG-UXHICEINSA-N 0 3 458.676 3.666 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(CSc3ccccc3OC)n2CCn2ccnc2C)C[C@H]1C ZINC001313889331 1071479815 /nfs/dbraw/zinc/47/98/15/1071479815.db2.gz XPCGFFYSWXVYIN-RTBURBONSA-N 0 3 469.659 3.703 20 0 JHADHN CCN1CCC[C@@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCCC[C@H](C)C1 ZINC001313898281 1071505021 /nfs/dbraw/zinc/50/50/21/1071505021.db2.gz PLEALDKTUDWHBJ-GHTZIAJQSA-N 0 3 459.038 3.972 20 0 JHADHN CCN1CCCC[C@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC(F)(F)C1 ZINC001313907036 1071526057 /nfs/dbraw/zinc/52/60/57/1071526057.db2.gz VTDGHGDQERQJND-SFHVURJKSA-N 0 3 466.964 3.581 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(-c3ccc(Br)cc3)nnc2N(C)CCC2CC2)CC1 ZINC001313919423 1071556745 /nfs/dbraw/zinc/55/67/45/1071556745.db2.gz BGSACBKQZRCZKM-GOSISDBHSA-N 0 3 475.479 3.970 20 0 JHADHN CCN1CCN([C@H](C)Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N(C)[C@H]2CCSC2)CC1 ZINC001313919412 1071557114 /nfs/dbraw/zinc/55/71/14/1071557114.db2.gz AVJSTNMKCBWMOT-SBHAEUEKSA-N 0 3 476.666 3.525 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(-c3ccc(C(C)(C)C)cc3)nnc2N2CCSCC2)CC1 ZINC001313922453 1071564367 /nfs/dbraw/zinc/56/43/67/1071564367.db2.gz WPSNGPYZHGRCMY-FQEVSTJZSA-N 0 3 456.704 3.822 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(-c3ccc(OC)cc3)nnc2N2CCC[C@H](C(F)(F)F)C2)CC1 ZINC001313924448 1071570890 /nfs/dbraw/zinc/57/08/90/1071570890.db2.gz GBWGMRWYJCCZAI-QUCCMNQESA-N 0 3 480.579 3.758 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(-c3cccnc3)nnc2N(C)Cc2cccc(OC(C)C)c2)CC1 ZINC001313925032 1071571975 /nfs/dbraw/zinc/57/19/75/1071571975.db2.gz LGFHCPBYFVAGDV-JOCHJYFZSA-N 0 3 477.657 3.790 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(-c3ccccc3C)nnc2N2CC(C)(C)OC(C)(C)C2)CC1 ZINC001313925340 1071572871 /nfs/dbraw/zinc/57/28/71/1071572871.db2.gz OMADTJQEKZWSMR-OAQYLSRUSA-N 0 3 454.663 3.673 20 0 JHADHN CCN1CCN([C@H](C)Cn2c([C@@H]3CCCOC3)nnc2N(C)[C@H](C)c2ccc(F)c(F)c2)CC1 ZINC001313926559 1071576896 /nfs/dbraw/zinc/57/68/96/1071576896.db2.gz DICBRDGYKYOVAY-SFHLNBCPSA-N 0 3 476.616 3.674 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(N3CCC([C@H](O)c4ccc(F)cc4)CC3)nnc2C(C)(C)C)CC1 ZINC001313926978 1071578227 /nfs/dbraw/zinc/57/82/27/1071578227.db2.gz GRVYKTVQJRXKSA-GBXCKJPGSA-N 0 3 486.680 3.691 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(CC(C)(C)C)nnc2N2CCC(C(=O)Nc3ccccc3)CC2)CC1 ZINC001313927660 1071581222 /nfs/dbraw/zinc/58/12/22/1071581222.db2.gz JNTNQNVIOALBMV-JOCHJYFZSA-N 0 3 495.716 3.748 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(COc3ccc(Cl)cc3)nnc2N(C)CC2CCC2)CC1 ZINC001313927248 1071579313 /nfs/dbraw/zinc/57/93/13/1071579313.db2.gz JNCXAYMNJDKDMU-LJQANCHMSA-N 0 3 461.054 3.773 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(Cc3ccc(F)cc3)nnc2N2CCO[C@@](C)(C(C)(C)C)C2)CC1 ZINC001313927606 1071580715 /nfs/dbraw/zinc/58/07/15/1071580715.db2.gz KQTFLJCCFVLEDR-JIPXPUAJSA-N 0 3 486.680 3.675 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(CC(C)C)nnc2N2CCO[C@@H](c3ccc(Cl)cc3)C2)CC1 ZINC001313927620 1071580786 /nfs/dbraw/zinc/58/07/86/1071580786.db2.gz KSHJRSMNZIVUJK-NZQKXSOJSA-N 0 3 475.081 3.734 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(Cn3nc(C)cc3C)nnc2N(C)[C@@H](C)c2ccc(F)cc2)CC1 ZINC001313928043 1071582700 /nfs/dbraw/zinc/58/27/00/1071582700.db2.gz NCDYPFZUKPLGOB-VXKWHMMOSA-N 0 3 482.652 3.502 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(COc3ccc(Cl)cc3)nnc2N2C[C@H](C)OC(C)(C)C2)CC1 ZINC001313929330 1071586512 /nfs/dbraw/zinc/58/65/12/1071586512.db2.gz YZXTZTPODCCSEF-PMACEKPBSA-N 0 3 491.080 3.540 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(COc3ccc(C)c(C)c3)nnc2N2CCC[C@](C)(OC)C2)CC1 ZINC001313928280 1071583181 /nfs/dbraw/zinc/58/31/81/1071583181.db2.gz TYSXSBDMKVDHQW-HOFKKMOUSA-N 0 3 484.689 3.505 20 0 JHADHN CCN1CCN(c2nnc(-c3ccc(Br)cc3Cl)n2CCc2n[nH]c(C)n2)C[C@H]1C ZINC001313930447 1071589638 /nfs/dbraw/zinc/58/96/38/1071589638.db2.gz COGRKZTTWQTRSY-CYBMUJFWSA-N 0 3 493.841 3.561 20 0 JHADHN CCN1CCN([C@@H]2CCN(c3nnc(C(C)(C)C)n3CC3(CCOC)CCCCC3)C2)CC1 ZINC001313943345 1071622708 /nfs/dbraw/zinc/62/27/08/1071622708.db2.gz REFLGTHJXPGUJE-JOCHJYFZSA-N 0 3 460.711 3.779 20 0 JHADHN CCN1CCN([C@H]2CCN(c3nnc(-c4ccc(C(C)(C)C)cc4)n3C[C@H](C)COC)C2)CC1 ZINC001313945323 1071626097 /nfs/dbraw/zinc/62/60/97/1071626097.db2.gz MZNMTRXKARQDFP-URXFXBBRSA-N 0 3 468.690 3.741 20 0 JHADHN CCN1CCN([C@@H]2CCN(c3nnc(CC(C)C)n3CC[C@H](C)c3ccc(OC)cc3)C2)CC1 ZINC001313946404 1071628587 /nfs/dbraw/zinc/62/85/87/1071628587.db2.gz BQDMYGOVPRKJHF-LADGPHEKSA-N 0 3 468.690 3.895 20 0 JHADHN CCN1CCN([C@@H]2CCN(c3nnc(CC(C)(C)C)n3Cc3cccc(C(F)(F)F)n3)C2)CC1 ZINC001313947266 1071631558 /nfs/dbraw/zinc/63/15/58/1071631558.db2.gz KCUGAJNKKCPENX-LJQANCHMSA-N 0 3 479.595 3.545 20 0 JHADHN CCN1CCN([C@H]2CCN(c3nnc(CC(C)(C)C)n3C[C@@H](C)N(C)c3ccccc3)C2)CC1 ZINC001313948491 1071633984 /nfs/dbraw/zinc/63/39/84/1071633984.db2.gz QVTICFGOPMLSEB-VWNXMTODSA-N 0 3 467.706 3.608 20 0 JHADHN CCN1CCN(C[C@H](C)Cn2c(C)nnc2N2CCC[C@@H](c3nc(C(C)C)cs3)C2)CC1 ZINC001313950693 1071638913 /nfs/dbraw/zinc/63/89/13/1071638913.db2.gz PXHZIOFSCDUGLV-PZJWPPBQSA-N 0 3 459.708 3.824 20 0 JHADHN CCN1CCN(C[C@@H](C)Cn2c(COc3ccc(F)cc3)nnc2N2CCC[C@H]2C(C)C)CC1 ZINC001313952693 1071646611 /nfs/dbraw/zinc/64/66/11/1071646611.db2.gz UBUJEXVHFNAAES-QPPBQGQZSA-N 0 3 472.653 3.895 20 0 JHADHN CCN1CCN(C[C@@H](C)Cn2c(CC3CCCC3)nnc2N(C)CC2CC(F)(F)C2)CC1 ZINC001313954199 1071650750 /nfs/dbraw/zinc/65/07/50/1071650750.db2.gz AZBHPWJQUFMUJI-LJQANCHMSA-N 0 3 452.638 3.766 20 0 JHADHN CCN1CCN(C[C@@H](C)Cn2c(CCc3ccccc3)nnc2N2CCCC(C)(C)C2)CC1 ZINC001313955395 1071655433 /nfs/dbraw/zinc/65/54/33/1071655433.db2.gz GMWBNFMIQJILHK-HSZRJFAPSA-N 0 3 452.691 3.963 20 0 JHADHN CCN1CCN(C[C@H](C)Cn2c(CC(C)(C)C)nnc2N2C[C@@H](C)[C@H](C(F)(F)F)C2)CC1 ZINC001313957942 1071662405 /nfs/dbraw/zinc/66/24/05/1071662405.db2.gz SNKAWCCNBXMEHO-IPMKNSEASA-N 0 3 458.617 3.775 20 0 JHADHN CCN1CCN(C[C@H](C)Cn2c(COc3cccc(C)c3)nnc2N2CC[C@@H](C)[C@H]2C)CC1 ZINC001313956472 1071657845 /nfs/dbraw/zinc/65/78/45/1071657845.db2.gz MQUUZMQMLGMPAZ-YTFSRNRJSA-N 0 3 454.663 3.674 20 0 JHADHN CCN1CCN(C[C@H](C)Cn2c(CC(C)C)nnc2N2CCc3c(F)cc(F)cc3C2)CC1 ZINC001313956767 1071658146 /nfs/dbraw/zinc/65/81/46/1071658146.db2.gz MZNHKQATCLAMSS-IBGZPJMESA-N 0 3 460.617 3.591 20 0 JHADHN CCN1CCN(C[C@@H](C)Cn2c(CCc3ccccc3)nnc2N2CCCC[C@H](C)C2)CC1 ZINC001313957109 1071659482 /nfs/dbraw/zinc/65/94/82/1071659482.db2.gz OTBGJMHSZJEXQT-BJKOFHAPSA-N 0 3 452.691 3.963 20 0 JHADHN CCN1CCN(CCCn2c(C)nnc2N2CCc3cc(OCC(C)(C)C)ccc3C2)CC1 ZINC001313959709 1071667471 /nfs/dbraw/zinc/66/74/71/1071667471.db2.gz BXGXBYABKDEFGV-UHFFFAOYSA-N 0 3 454.663 3.602 20 0 JHADHN CCN1CCN(CCCn2c(COc3cc(C)cc(C)c3)nnc2N2CCO[C@H](C(C)(C)C)C2)CC1 ZINC001313959854 1071668189 /nfs/dbraw/zinc/66/81/89/1071668189.db2.gz BPXDVGVARRYESN-VWLOTQADSA-N 0 3 498.716 3.753 20 0 JHADHN CCN1CCN(CCCn2c([C@@H](C)Oc3ccccc3F)nnc2N2CCC[C@@H](C)C2)CC1 ZINC001313960328 1071669741 /nfs/dbraw/zinc/66/97/41/1071669741.db2.gz IURYOEAQAFYHNL-NHCUHLMSSA-N 0 3 458.626 3.821 20 0 JHADHN CCN1CCN(CCCn2c([C@H](C)Oc3ccccc3F)nnc2N2CCC[C@H](C)C2)CC1 ZINC001313960330 1071669802 /nfs/dbraw/zinc/66/98/02/1071669802.db2.gz IURYOEAQAFYHNL-SFTDATJTSA-N 0 3 458.626 3.821 20 0 JHADHN CCN1CCN(CCCn2c([C@H](C)Oc3cccc(C)c3C)nnc2N2CCCO[C@@H](C)C2)CC1 ZINC001313960540 1071669884 /nfs/dbraw/zinc/66/98/84/1071669884.db2.gz KLYVRGDVCFNBNB-UPVQGACJSA-N 0 3 484.689 3.678 20 0 JHADHN CCN1CCN(CCCn2c(Cc3ccccc3F)nnc2N2CCC[C@H](OC(C)(C)C)C2)CC1 ZINC001313960821 1071671045 /nfs/dbraw/zinc/67/10/45/1071671045.db2.gz NDQZMAKECCUQKT-QHCPKHFHSA-N 0 3 486.680 3.820 20 0 JHADHN CCOC(=O)N(C)C1CCN(c2nnc(-c3ccccn3)n2CCN(C)Cc2ccc(F)cc2)CC1 ZINC001314014573 1071754086 /nfs/dbraw/zinc/75/40/86/1071754086.db2.gz TYYXTAGHFOGVSB-UHFFFAOYSA-N 0 3 495.603 3.668 20 0 JHADHN CCOC(C)(C)Cn1c(COc2ccccc2CC)nnc1N1CCN(C2CCOCC2)C[C@@H]1C ZINC001314055195 1071880966 /nfs/dbraw/zinc/88/09/66/1071880966.db2.gz AYOAWGDXMXPVDY-NRFANRHFSA-N 0 3 485.673 3.924 20 0 JHADHN CCO[C@]1(c2nnc(N3C[C@H](C)C[C@H](C)C3)n2C[C@@H](c2cccc(OC)c2)N(C)C)CCOC1 ZINC001314092378 1071969814 /nfs/dbraw/zinc/96/98/14/1071969814.db2.gz CBNBIIFZIVAQQL-XBLPNDSKSA-N 0 3 471.646 3.724 20 0 JHADHN CCO[C@]1(c2nnc(N3CCN(C(C)(C)C)CC3)n2CCc2csc(C(C)C)n2)CCOC1 ZINC001314135296 1072047824 /nfs/dbraw/zinc/04/78/24/1072047824.db2.gz NBFFBMFQVSFLCI-XMMPIXPASA-N 0 3 476.691 3.673 20 0 JHADHN CCO[C@]1(c2nnc(N3CCS[C@H](C(C)C)C3)n2C[C@H](c2ccccc2)N(C)C)CCOC1 ZINC001314139420 1072052510 /nfs/dbraw/zinc/05/25/10/1072052510.db2.gz AAWLFABHAZMWJJ-OTNCWRBYSA-N 0 3 473.687 3.811 20 0 JHADHN CCc1ccc(-c2nnc(N3CCC(S(C)(=O)=O)CC3)n2C[C@H](C)N2CCC[C@H](C)C2)cc1 ZINC001305937631 1068242285 /nfs/dbraw/zinc/24/22/85/1068242285.db2.gz NXBIPOSLNWMOTP-PMACEKPBSA-N 0 3 473.687 3.641 20 0 JHADHN CCc1ccc(-c2nnc(N3CCCC[C@H](S(C)(=O)=O)C3)n2C[C@@H](C)N(CC)CC)cc1 ZINC001305941243 1068249700 /nfs/dbraw/zinc/24/97/00/1068249700.db2.gz MFKWCLJEATUXRN-KNQAVFIVSA-N 0 3 461.676 3.641 20 0 JHADHN CCc1ccc(CCn2c([C@H]3OCC[C@H]3COC)nnc2N2CCN(CC(C)C)CC2)cc1 ZINC001305960068 1068291084 /nfs/dbraw/zinc/29/10/84/1068291084.db2.gz KHHCGSRZBVGOSM-ZEQRLZLVSA-N 0 3 455.647 3.585 20 0 JHADHN CCc1ccccc1OCc1nnc(N(C)Cc2cnc(C)s2)n1CCN1CCN(C)C(C)(C)C1 ZINC001305977108 1068317059 /nfs/dbraw/zinc/31/70/59/1068317059.db2.gz VPUXAESVICLQGU-UHFFFAOYSA-N 0 3 497.713 3.847 20 0 JHADHN CCc1ccccc1OCc1nnc(N2CCN(C(=O)OCC(C)C)CC2)n1CCN1CCCCC1 ZINC001305986276 1068337214 /nfs/dbraw/zinc/33/72/14/1068337214.db2.gz DQGVOSVKLWHJNW-UHFFFAOYSA-N 0 3 498.672 3.820 20 0 JHADHN CCc1ccccc1OCc1nnc(N2CCN(C[C@H]3CCOC3)CC2)n1CC(C)(C)SC ZINC001305989590 1068348009 /nfs/dbraw/zinc/34/80/09/1068348009.db2.gz RKDLCTLIWHFZEG-HXUWFJFHSA-N 0 3 473.687 3.720 20 0 JHADHN CCc1ccccc1OCc1nnc(N2CCSC[C@H]2C)n1C[C@@H](C)CN1CCN(CC)CC1 ZINC001305989577 1068348073 /nfs/dbraw/zinc/34/80/73/1068348073.db2.gz IOIMMMQKSQRQBJ-FCHUYYIVSA-N 0 3 486.730 3.635 20 0 JHADHN CCc1ccccc1OCc1nnc(N2CCSC[C@H]2C)n1C[C@H](C)CN1CCN(CC)CC1 ZINC001305989579 1068348139 /nfs/dbraw/zinc/34/81/39/1068348139.db2.gz IOIMMMQKSQRQBJ-FGZHOGPDSA-N 0 3 486.730 3.635 20 0 JHADHN CCc1cnc(Cn2c(-c3cc(OC)cc(OC)c3)nnc2N2CCN(C(C)(C)C)CC2)s1 ZINC001305996015 1068360131 /nfs/dbraw/zinc/36/01/31/1068360131.db2.gz DLCMGQIXKGOQRJ-UHFFFAOYSA-N 0 3 470.643 3.950 20 0 JHADHN CCc1nc(C)c([C@@H](C)N(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCN(C(C)C)C(C)C)s1 ZINC001306004534 1068381267 /nfs/dbraw/zinc/38/12/67/1068381267.db2.gz DYPQWXPSGOMKLN-RTBURBONSA-N 0 3 496.747 3.824 20 0 JHADHN CCc1nc(C)c([C@H](C)N(C)c2nnc(Cc3ccccn3)n2CCN2CCN(C)C(C)(C)C2)s1 ZINC001306007196 1068387101 /nfs/dbraw/zinc/38/71/01/1068387101.db2.gz PGPDMJHEIKLCDD-FQEVSTJZSA-N 0 3 496.729 3.815 20 0 JHADHN CCc1nn(C)c(CC)c1Cn1c(-c2cccc(OC)c2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C ZINC001306044217 1068462794 /nfs/dbraw/zinc/46/27/94/1068462794.db2.gz YRVCDSNQZQMPTQ-OALUTQOASA-N 0 3 465.646 3.779 20 0 JHADHN CCc1nnc(N(C)Cc2cnc(C(C)C)nc2)n1C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC001306080817 1068511593 /nfs/dbraw/zinc/51/15/93/1068511593.db2.gz BPRPGUALBVLJAS-HSZRJFAPSA-N 0 3 463.630 3.681 20 0 JHADHN CCc1nnc(N2CCCN(C(=O)CCc3ccccc3)CC2)n1C[C@@H](c1cccs1)N(C)C ZINC001306179076 1068569019 /nfs/dbraw/zinc/56/90/19/1068569019.db2.gz ACXSEMHTXOZUPJ-QFIPXVFZSA-N 0 3 480.682 3.876 20 0 JHADHN CCc1noc(C)c1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001306235696 1068629279 /nfs/dbraw/zinc/62/92/79/1068629279.db2.gz WWSSPVHLBAYFCU-UHFFFAOYSA-N 0 3 468.602 3.790 20 0 JHADHN CC[C@@H]1C(=O)NCCN1c1nnc(COc2cc(C)cc(C)c2)n1C[C@@H](c1cccs1)N(C)C ZINC001306256923 1068664086 /nfs/dbraw/zinc/66/40/86/1068664086.db2.gz IXYPZONZCYDQMG-RTWAWAEBSA-N 0 3 482.654 3.553 20 0 JHADHN CC[C@H]1C[C@@H](C)CN1c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCN1CCN(CC)CC1 ZINC001306303719 1068720622 /nfs/dbraw/zinc/72/06/22/1068720622.db2.gz ZQHDVGAVTQUUJE-KAOXLYBCSA-N 0 3 460.711 3.849 20 0 JHADHN CC[C@@H]1CCCN(c2nnc(Cc3c(F)cccc3F)n2CCN2CCN(C)C(C)(C)C2)C1 ZINC001306335333 1068772179 /nfs/dbraw/zinc/77/21/79/1068772179.db2.gz KGDXDGXIXDDMCL-LJQANCHMSA-N 0 3 460.617 3.800 20 0 JHADHN CCC1CCN(c2nnc(COc3ccccc3F)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC001306380826 1068812396 /nfs/dbraw/zinc/81/23/96/1068812396.db2.gz FQUKEIBBDAMIBN-JOCHJYFZSA-N 0 3 486.636 3.565 20 0 JHADHN CC[C@@H]1CN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2CCN2CC=CCC2)CCO1 ZINC001306407941 1068884537 /nfs/dbraw/zinc/88/45/37/1068884537.db2.gz GAOYCMHWWAINMN-OAQYLSRUSA-N 0 3 455.603 3.618 20 0 JHADHN CC[C@H]1CN(c2nnc(CCOc3ccccc3)n2C[C@@H](c2cccs2)N(C)C)CCO1 ZINC001306445880 1068958955 /nfs/dbraw/zinc/95/89/55/1068958955.db2.gz AXXLNJSDUOBOBR-FPOVZHCZSA-N 0 3 455.628 3.879 20 0 JHADHN CC[C@H]1CN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H](c2ccc(C)cc2)N(C)C)CCS1 ZINC001306466642 1069005765 /nfs/dbraw/zinc/00/57/65/1069005765.db2.gz OBEJUJDNDMNYGR-GPJHCHHRSA-N 0 3 473.687 3.945 20 0 JHADHN CC/C=C\Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C2CCCC2)CC1 ZINC001306479742 1069020445 /nfs/dbraw/zinc/02/04/45/1069020445.db2.gz RHJVATMXXXRGFT-AVKJRPAMSA-N 0 3 474.650 3.617 20 0 JHADHN CCN1CCN(c2cccc(NC(=O)N3CCC[C@@H](C4N=NC(=S)N4C(C)C)C3)c2)CC1 ZINC001310596949 1069040735 /nfs/dbraw/zinc/04/07/35/1069040735.db2.gz NIVYNWQUZUPPCG-GOSISDBHSA-N 0 3 457.648 3.701 20 0 JHADHN CS[C@H]1CN(C(=O)Nc2ccc3c(c2F)CCN(C(=O)OC(C)(C)C)C3)C[C@H]1N(C)C ZINC001310723691 1069134678 /nfs/dbraw/zinc/13/46/78/1069134678.db2.gz DYNIRWDVJLCGSO-MSOLQXFVSA-N 0 3 452.596 3.628 20 0 JHADHN CCc1ccc([C@@H](CNC(=O)Nc2nnn(CCOc3ccc(F)cc3)c2C)N(C)C)cc1 ZINC001310726481 1069138707 /nfs/dbraw/zinc/13/87/07/1069138707.db2.gz YRTKZMMCZURJKH-JOCHJYFZSA-N 0 3 454.550 3.791 20 0 JHADHN Cc1nc(NC(=O)N[C@H](C)CCN2CCN(C)CC2)sc1Cc1ccc(F)c(F)c1F ZINC001310738263 1069143165 /nfs/dbraw/zinc/14/31/65/1069143165.db2.gz UTJPBNPBPNNAHL-CYBMUJFWSA-N 0 3 455.550 3.607 20 0 JHADHN CCC[C@](C)(O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001306531384 1069172322 /nfs/dbraw/zinc/17/23/22/1069172322.db2.gz ZMOWRLYASXPAOL-IBVKSMDESA-N 0 3 489.636 3.657 20 0 JHADHN CCCC1(Cn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N2C[C@@H](C)N(CC)C[C@@H]2C)CC1 ZINC001306598200 1069274125 /nfs/dbraw/zinc/27/41/25/1069274125.db2.gz DDTAHKOWLRGGQW-UXHICEINSA-N 0 3 488.702 3.695 20 0 JHADHN CCC[C@H]1CN(c2nnc(-c3ccc(CC)cc3)n2Cc2ccc(C)n(C)c2=O)CCN1CCOC ZINC001306618211 1069301280 /nfs/dbraw/zinc/30/12/80/1069301280.db2.gz DGVUNZUHKBCNRP-VWLOTQADSA-N 0 3 492.668 3.500 20 0 JHADHN CCC[C@@H]1CN(c2nnc(-c3cnccn3)n2[C@H]2CCC[C@@H](C(F)(F)F)C2)CCN1CCOC ZINC001306619818 1069305221 /nfs/dbraw/zinc/30/52/21/1069305221.db2.gz BVRMZIFNPIBILQ-CEXWTWQISA-N 0 3 481.567 3.966 20 0 JHADHN CCC[C@@H]1CN(c2nnc(-c3cnccn3)n2[C@H]2CCC[C@H](C(F)(F)F)C2)CCN1CCOC ZINC001306619820 1069305431 /nfs/dbraw/zinc/30/54/31/1069305431.db2.gz BVRMZIFNPIBILQ-GBESFXJTSA-N 0 3 481.567 3.966 20 0 JHADHN CCC[C@@H]1CN(c2nnc(-c3cccn3C)n2Cc2ccc(Cl)cc2OC)CCN1CCOC ZINC001306620465 1069306692 /nfs/dbraw/zinc/30/66/92/1069306692.db2.gz GVMDQEFHEYUJQN-OAQYLSRUSA-N 0 3 487.048 3.931 20 0 JHADHN CCC[C@H]1CN(c2nnc(-c3ccc(CC)cc3)n2C[C@H](C)N2CCN(CC)CC2)CCO1 ZINC001306620607 1069307589 /nfs/dbraw/zinc/30/75/89/1069307589.db2.gz QVTRCLPZQSCKII-URXFXBBRSA-N 0 3 454.663 3.539 20 0 JHADHN CCOC(=O)C1CCN(C2CCN(C(F)(F)c3nc(Cl)cc(N4CCCC4)n3)CC2)CC1 ZINC001164614666 719023258 /nfs/dbraw/zinc/02/32/58/719023258.db2.gz WNNJWCAFNSVJLU-UHFFFAOYSA-N 0 3 471.980 3.519 20 0 JHADHN c1cncc(CN2CC[C@H]3[C@@H]2CCN3c2nc(CN3CCOCC3)nc3sc4c(c32)CCCC4)c1 ZINC001164733439 720438273 /nfs/dbraw/zinc/43/82/73/720438273.db2.gz POZHHJXMXFYWOE-VXKWHMMOSA-N 0 3 490.677 3.651 20 0 JHADHN Clc1nc2c(c(N3CCCn4cnc(CNC5CCC5)c4C3)n1)CN(Cc1ccccc1)CC2 ZINC001164838633 720737021 /nfs/dbraw/zinc/73/70/21/720737021.db2.gz UQKQKSRGUXGMQD-UHFFFAOYSA-N 0 3 478.044 3.937 20 0 JHADHN Clc1ccc(-c2ccc(C3OCCCO3)c(N3CCN4C[C@@H](Oc5cncnc5)C[C@@H]4C3)c2)cn1 ZINC001164744659 720742150 /nfs/dbraw/zinc/74/21/50/720742150.db2.gz RWCUKYWDWUNWFV-RTWAWAEBSA-N 0 3 493.995 3.969 20 0 JHADHN O=C(NCc1ccccc1)c1cc(Cl)nc(N2CCN3C[C@@H](OCc4cccnc4)C[C@@H]3C2)c1 ZINC001164868375 721062452 /nfs/dbraw/zinc/06/24/52/721062452.db2.gz OFTGRRDMJKYIRY-PKTZIBPZSA-N 0 3 477.996 3.540 20 0 JHADHN COc1ccc(Cc2c(C)nc(N3CCN4C[C@H](OCc5cccnc5)C[C@H]4C3)nc2C)cc1 ZINC001164872595 721177680 /nfs/dbraw/zinc/17/76/80/721177680.db2.gz HVIDZXUHXQFHDL-UKILVPOCSA-N 0 3 459.594 3.568 20 0 JHADHN Cn1cc(CN2CC[C@@H]3CN(c4nc(-c5cnccn5)nc5sc6c(c54)CCCC6)C[C@@H]3C2)cn1 ZINC001164768447 721223315 /nfs/dbraw/zinc/22/33/15/721223315.db2.gz LBAZBXVWUBWKLL-MOPGFXCFSA-N 0 3 486.649 3.719 20 0 JHADHN Cn1cc(CN2CC[C@@H]3CN(c4ccc(-c5ccc(N6CCCCC6)cc5)nn4)C[C@H]3C2)cn1 ZINC001164767667 721226425 /nfs/dbraw/zinc/22/64/25/721226425.db2.gz KJAXZQJDJPOQQL-DNQXCXABSA-N 0 3 457.626 3.826 20 0 JHADHN CCOC(=O)c1c2ccccn2c2ncnc(N3CCN4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)c21 ZINC001164900558 721509894 /nfs/dbraw/zinc/50/98/94/721509894.db2.gz SKZVQFSVQMAJOM-AZUAARDMSA-N 0 3 475.524 3.540 20 0 JHADHN CCOC(=O)c1c2ccccn2c2ncnc(N3CCN4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)c21 ZINC001164900569 721510129 /nfs/dbraw/zinc/51/01/29/721510129.db2.gz SKZVQFSVQMAJOM-UYAOXDASSA-N 0 3 475.524 3.540 20 0 JHADHN Fc1cccc(O[C@@H]2C[C@H]3CN(c4nc(Cl)nc5c4ncn5[C@@H]4CCCCO4)CCN3C2)c1 ZINC001164904632 721533249 /nfs/dbraw/zinc/53/32/49/721533249.db2.gz FPXPMHLFYRMTJA-UHOSZYNNSA-N 0 3 472.952 3.660 20 0 JHADHN O=C(NCCSCc1ccco1)c1cccnc1N1CCN2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164909889 721543213 /nfs/dbraw/zinc/54/32/13/721543213.db2.gz SHWUJHVOMJGUCE-NFBKMPQASA-N 0 3 496.608 3.819 20 0 JHADHN CN(Cc1cccnc1)[C@@H]1CN(c2ccc3c(n2)CCN(Cc2ccccc2)C3)[C@@H]2CCCO[C@@H]12 ZINC001164800552 721544433 /nfs/dbraw/zinc/54/44/33/721544433.db2.gz CHFLIVJJHLVBRP-LSMIHOHGSA-N 0 3 469.633 3.903 20 0 JHADHN COc1ccc(OC)c(-c2ccc(N3CCN4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)nn2)c1 ZINC001164909286 721559196 /nfs/dbraw/zinc/55/91/96/721559196.db2.gz UDLZNICQSVRDSB-RXVVDRJESA-N 0 3 450.514 3.642 20 0 JHADHN COC(=O)c1cc2c(nc(Cl)nc2N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)[nH]1 ZINC001164907744 721712802 /nfs/dbraw/zinc/71/28/02/721712802.db2.gz SZTLZLOGNRTZQP-OAQYLSRUSA-N 0 3 476.915 3.531 20 0 JHADHN COC(=O)c1cc2c(nc(Cl)nc2N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)n1C ZINC001164908669 721722430 /nfs/dbraw/zinc/72/24/30/721722430.db2.gz YLAQUBKAMUJJPS-QFIPXVFZSA-N 0 3 490.942 3.541 20 0 JHADHN COc1cc(C(F)(F)N2CCC3(CC2)COCCN(Cc2ccncc2)C3)cc(Cl)n1 ZINC001164958094 722053042 /nfs/dbraw/zinc/05/30/42/722053042.db2.gz CAZIYRCRVHSLAZ-UHFFFAOYSA-N 0 3 452.933 3.803 20 0 JHADHN CC(C)(C)OC(=O)c1cnc(Cl)cc1N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164978414 722127686 /nfs/dbraw/zinc/12/76/86/722127686.db2.gz ONMRPXOCXNMTOS-WIYYLYMNSA-N 0 3 458.990 3.813 20 0 JHADHN FC(F)(c1cc(Cl)nc(-c2ccncc2)n1)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164978887 722138046 /nfs/dbraw/zinc/13/80/46/722138046.db2.gz KJRYGQZOSDDLKV-UXHICEINSA-N 0 3 486.954 3.859 20 0 JHADHN Cc1cc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)nc(-c2ccc(Cl)nc2)n1 ZINC001164974050 722152228 /nfs/dbraw/zinc/15/22/28/722152228.db2.gz OFBIINIEXPORLD-SFTDATJTSA-N 0 3 450.974 3.623 20 0 JHADHN CCC[C@H]1CN(c2nnc(-c3ccc[nH]3)n2C[C@@H](C)c2nc(C)cs2)CCN1CCOC ZINC001306622564 1069312776 /nfs/dbraw/zinc/31/27/76/1069312776.db2.gz ZZYKRJQFGFUHLB-MJGOQNOKSA-N 0 3 457.648 3.779 20 0 JHADHN CCC[C@@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2Cc2ccc(F)cn2)CCN1CCOC ZINC001306624059 1069316638 /nfs/dbraw/zinc/31/66/38/1069316638.db2.gz XLTNIRIZGZZZJH-HXUWFJFHSA-N 0 3 473.984 3.513 20 0 JHADHN CCC[C@@H]1CN(c2nnc(CC)n2C[C@@H]2CC3(CC3)CN2C(=O)OC(C)(C)C)CCN1CCOC ZINC001306626142 1069320816 /nfs/dbraw/zinc/32/08/16/1069320816.db2.gz CVIKFBHNMUWAOX-RTWAWAEBSA-N 0 3 490.693 3.567 20 0 JHADHN Cc1cccc(NC(=O)N2CC3(CCCC3)OC[C@@H]2CN(C)C)c1I ZINC001311334739 1069328651 /nfs/dbraw/zinc/32/86/51/1069328651.db2.gz CRNXGCCVRRDRKJ-HNNXBMFYSA-N 0 3 457.356 3.707 20 0 JHADHN CCC[C@@H]1CN(c2nnc(CC3CC3)n2Cc2ccccc2Br)CCN1CCOC ZINC001306630343 1069330041 /nfs/dbraw/zinc/33/00/41/1069330041.db2.gz UXRJZWHFNCDIKR-HXUWFJFHSA-N 0 3 476.463 3.979 20 0 JHADHN Cc1cccc(N2CCN(CCCCNC(=O)NC[C@](C)(O)c3ccccc3Cl)CC2)c1 ZINC001311380693 1069353898 /nfs/dbraw/zinc/35/38/98/1069353898.db2.gz NEHWUJFFEOXHHO-VWLOTQADSA-N 0 3 459.034 3.758 20 0 JHADHN CCCCCn1c([C@H](CC)c2ccccc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001306642975 1069354036 /nfs/dbraw/zinc/35/40/36/1069354036.db2.gz ZOLFIHRSWTWWKL-HSZRJFAPSA-N 0 3 452.647 3.755 20 0 JHADHN CC(C)C[C@@H]1CN(CCCc2ccccc2)CCN1C(=O)NC[C@H]1CN(CC(C)C)CCO1 ZINC001311440196 1069381225 /nfs/dbraw/zinc/38/12/25/1069381225.db2.gz CGQWZTKFBZXVNB-FTJBHMTQSA-N 0 3 458.691 3.718 20 0 JHADHN CC1(C)CC[C@H](CNC(=O)NCCCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)O1 ZINC001311451447 1069384692 /nfs/dbraw/zinc/38/46/92/1069384692.db2.gz FHIMQUZJACDONS-HXUWFJFHSA-N 0 3 456.553 3.864 20 0 JHADHN CCN(CC)[C@H](CNC(=O)N1CCN(c2nccc(C(C)C)n2)CC1)c1cccc(OC)c1 ZINC001311468540 1069391977 /nfs/dbraw/zinc/39/19/77/1069391977.db2.gz AEOIOZVZDRXBGE-HSZRJFAPSA-N 0 3 454.619 3.523 20 0 JHADHN CCN(CC)[C@@H](CNC(=O)N[C@@H]1CCN(c2ccc(Cl)cc2)C1=O)c1cccc(OC)c1 ZINC001311470599 1069393770 /nfs/dbraw/zinc/39/37/70/1069393770.db2.gz REYLDUBFNCDHQD-YADHBBJMSA-N 0 3 458.990 3.836 20 0 JHADHN C[C@@H](NC(=O)NC(C)(C)CCN1CCN(C)CC1)c1cccc(NC(=O)c2ccccc2)c1 ZINC001311482738 1069398742 /nfs/dbraw/zinc/39/87/42/1069398742.db2.gz OAUQKZSTXMDKQQ-HXUWFJFHSA-N 0 3 451.615 3.715 20 0 JHADHN CN(CCOc1ccccc1C(C)(C)C)C(=O)NCc1ccc(CN2CCN(C)CC2)cc1 ZINC001311493567 1069404191 /nfs/dbraw/zinc/40/41/91/1069404191.db2.gz BUVWRKWIWGIVRU-UHFFFAOYSA-N 0 3 452.643 3.952 20 0 JHADHN CCCCN(C)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H]2C[C@]1(C)CCC2 ZINC001306682686 1069414612 /nfs/dbraw/zinc/41/46/12/1069414612.db2.gz LWWVQNUYCLMTFO-DVECYGJZSA-N 0 3 459.660 3.849 20 0 JHADHN CCCCN(C)CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 ZINC001306682688 1069414726 /nfs/dbraw/zinc/41/47/26/1069414726.db2.gz LXQRVJASPZJWHC-OAQYLSRUSA-N 0 3 461.676 3.598 20 0 JHADHN CCCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001306701570 1069436701 /nfs/dbraw/zinc/43/67/01/1069436701.db2.gz SIVQEBMUJUTLIG-WIYYLYMNSA-N 0 3 475.037 3.614 20 0 JHADHN CN(C)[C@@H](CNC(=O)N[C@@H](Cc1ccccc1)C(=O)N(C)c1ccccc1)Cc1ccccc1 ZINC001311567236 1069440782 /nfs/dbraw/zinc/44/07/82/1069440782.db2.gz GEIXVJTXUXMHQU-FTJBHMTQSA-N 0 3 458.606 3.733 20 0 JHADHN CC1CCN([C@@H](CNC(=O)NCc2ccc(CN3CCNC3=O)cc2)c2cccs2)CC1 ZINC001311568039 1069441418 /nfs/dbraw/zinc/44/14/18/1069441418.db2.gz AESCBGRGOGHUTN-NRFANRHFSA-N 0 3 455.628 3.546 20 0 JHADHN CN(C(=O)[C@H](Cc1ccccc1)NC(=O)N[C@@H]1CCN(Cc2ccccc2)C1)c1ccccc1 ZINC001311578168 1069446941 /nfs/dbraw/zinc/44/69/41/1069446941.db2.gz LISGRKHJTNBEMV-RSXGOPAZSA-N 0 3 456.590 3.834 20 0 JHADHN CCc1ccc([C@@H](CNC(=O)NCc2cc(OC)c(O)cc2Br)N(C)C)cc1 ZINC001311571051 1069442783 /nfs/dbraw/zinc/44/27/83/1069442783.db2.gz ISVHOODQXUQTLO-GOSISDBHSA-N 0 3 450.377 3.828 20 0 JHADHN CN(C)[C@@H](CNC(=O)N1CCO[C@@H](c2cccc(OC(F)(F)F)c2)C1)Cc1ccccc1 ZINC001311571477 1069443349 /nfs/dbraw/zinc/44/33/49/1069443349.db2.gz LNCCYALURHMPOQ-TZIWHRDSSA-N 0 3 451.489 3.841 20 0 JHADHN CCCCN1CCCC[C@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 ZINC001306721829 1069459067 /nfs/dbraw/zinc/45/90/67/1069459067.db2.gz FMKSLOJXAKFGAH-VQTJNVASSA-N 0 3 495.093 3.662 20 0 JHADHN CCCCN1CCCC[C@@H]1Cn1c(-c2ccc(C)o2)nnc1N(C)[C@@H](C)[C@H](C)S(C)(=O)=O ZINC001306723508 1069463605 /nfs/dbraw/zinc/46/36/05/1069463605.db2.gz SRXINPPTCOBOMW-SLFFLAALSA-N 0 3 465.664 3.759 20 0 JHADHN C[C@@H]1CN(C(=O)NCCCCN2CCN(c3ccccc3)CC2)CC[C@@H]1C(=O)OC(C)(C)C ZINC001311632641 1069479904 /nfs/dbraw/zinc/47/99/04/1069479904.db2.gz JZYDIMVEMMZILR-GGAORHGYSA-N 0 3 458.647 3.598 20 0 JHADHN CCCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc(-c3ccccc3OC)n2CCN2CC=CCC2)C1 ZINC001306738422 1069509699 /nfs/dbraw/zinc/50/96/99/1069509699.db2.gz ZTCRCNRVQNBYSO-FGZHOGPDSA-N 0 3 480.657 3.737 20 0 JHADHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N2CCN([C@@H](CO)c3ccc(Cl)cc3)CC2)C1 ZINC001311711812 1069513949 /nfs/dbraw/zinc/51/39/49/1069513949.db2.gz FQYDSOGEQVPZKN-YGOYIFOWSA-N 0 3 457.018 3.536 20 0 JHADHN CCN(C(=O)N[C@H](CCSC)c1nnc2ccccn21)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001311716056 1069516683 /nfs/dbraw/zinc/51/66/83/1069516683.db2.gz WKJWZDCVRZZWIT-NHCUHLMSSA-N 0 3 452.628 3.830 20 0 JHADHN COc1ccc([C@@H](Cc2ccc(F)cc2)NC(=O)N2CCN(CC3CCOCC3)CC2)cc1 ZINC001311736802 1069527384 /nfs/dbraw/zinc/52/73/84/1069527384.db2.gz BJROIPODJJHGOQ-RUZDIDTESA-N 0 3 455.574 3.872 20 0 JHADHN O=C(NCc1ccc(Br)cc1Cl)NC[C@]1(O)CCN(Cc2ccccc2)C1 ZINC001311751243 1069533026 /nfs/dbraw/zinc/53/30/26/1069533026.db2.gz IYXHPSVMPLKCLL-HXUWFJFHSA-N 0 3 452.780 3.539 20 0 JHADHN CCCCOc1ccc(-c2nnc(N3C[C@H](C)N(CC)C[C@@H]3C)n2CC2(O)CC2)cc1OC ZINC001306748755 1069539260 /nfs/dbraw/zinc/53/92/60/1069539260.db2.gz LYCJGBFBGMTINJ-OALUTQOASA-N 0 3 457.619 3.576 20 0 JHADHN 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ZINC001311858854 1069584558 /nfs/dbraw/zinc/58/45/58/1069584558.db2.gz SRJZGCLTBLUQFC-XJKSGUPXSA-N 0 3 454.365 3.988 20 0 JHADHN C[C@H](NC(=O)NCc1cccc(CN2CCN(C)CC2)c1)c1ccc(OCC2CC2)c(F)c1 ZINC001311859439 1069584981 /nfs/dbraw/zinc/58/49/81/1069584981.db2.gz HVCYIADHIVQPEG-IBGZPJMESA-N 0 3 454.590 3.922 20 0 JHADHN CCCN(CC)c1nnc(-c2cc3ccccc3o2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001306791107 1069597314 /nfs/dbraw/zinc/59/73/14/1069597314.db2.gz MVIUDNXJQDSAEH-FQEVSTJZSA-N 0 3 452.603 3.870 20 0 JHADHN CCCN(Cc1ccc(F)cc1F)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C)CN1CCCC1 ZINC001306812314 1069632988 /nfs/dbraw/zinc/63/29/88/1069632988.db2.gz HAYIKSNUTCFWCG-QUCCMNQESA-N 0 3 495.640 3.607 20 0 JHADHN CCOc1cc(C)ccc1Cn1c(CC(C)(C)C)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001314159656 1069641104 /nfs/dbraw/zinc/64/11/04/1069641104.db2.gz QCMOJLHEZHPCCM-OAQYLSRUSA-N 0 3 455.647 3.781 20 0 JHADHN CCOc1cc(Cn2c([C@H](C)CC)nnc2N2CCN(C3CCOCC3)C[C@@H]2C)ccc1OC ZINC001314160922 1069646533 /nfs/dbraw/zinc/64/65/33/1069646533.db2.gz RBMNFLUOIABDIS-UXHICEINSA-N 0 3 471.646 3.937 20 0 JHADHN CCOc1cc(Cn2c([C@@H]3CCOC3)nnc2N2CCN(CCC(C)(C)C)CC2)ccc1OC ZINC001314162661 1069652942 /nfs/dbraw/zinc/65/29/42/1069652942.db2.gz CBZJGTKDSAVIEP-OAQYLSRUSA-N 0 3 471.646 3.796 20 0 JHADHN CCOc1ccc(-c2nnc(N3CCN(C[C@H]4CCOC4)CC3)n2CCCC(F)(F)F)cc1OC ZINC001314179370 1069718713 /nfs/dbraw/zinc/71/87/13/1069718713.db2.gz LXNZIXPBZNKNEJ-GOSISDBHSA-N 0 3 497.562 3.853 20 0 JHADHN Cc1ccc([C@H]2OCCC[C@@H]2CNC(=O)NCC2(O)CCN(Cc3ccccc3)CC2)cc1 ZINC001312107584 1069723767 /nfs/dbraw/zinc/72/37/67/1069723767.db2.gz QOZBHTHOIAPHTK-JWQCQUIFSA-N 0 3 451.611 3.789 20 0 JHADHN CCN(Cc1nc2c(s1)C[C@@H](C)CC2)C(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC001312203612 1069778885 /nfs/dbraw/zinc/77/88/85/1069778885.db2.gz CMZZESXKJLVQHB-SFHVURJKSA-N 0 3 456.656 3.956 20 0 JHADHN C[C@H]1C[C@H](NC(=O)N2CCC(C(=O)NCc3ccc(F)cc3)CC2)CN1Cc1ccccc1 ZINC001312249676 1069808149 /nfs/dbraw/zinc/80/81/49/1069808149.db2.gz ABSNFYAZQNVSGL-CYFREDJKSA-N 0 3 452.574 3.527 20 0 JHADHN COC(=O)[C@@H]1CN(C(=O)N[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)C[C@H]1c1ccc(Cl)cc1 ZINC001312252153 1069810757 /nfs/dbraw/zinc/81/07/57/1069810757.db2.gz JAPFUBMPRGUHQZ-OCYFJXFZSA-N 0 3 455.986 3.901 20 0 JHADHN CCCN1CCCC[C@@H]1Cn1c(-c2c[nH]c3ccccc23)nnc1N(C)CCCS(C)(=O)=O ZINC001307060724 1069850748 /nfs/dbraw/zinc/85/07/48/1069850748.db2.gz BUPVHQZHYHRHIN-LJQANCHMSA-N 0 3 472.659 3.562 20 0 JHADHN CCCN1CCCC[C@H]1Cn1c(-c2c[nH]c3ccccc23)nnc1N(C)CCCS(C)(=O)=O ZINC001307060721 1069850873 /nfs/dbraw/zinc/85/08/73/1069850873.db2.gz BUPVHQZHYHRHIN-IBGZPJMESA-N 0 3 472.659 3.562 20 0 JHADHN CCOc1ccccc1OCc1nnc(N2C[C@H](C)N(CC)C[C@@H]2C)n1CC[C@H]1CCOC1 ZINC001314219420 1069862158 /nfs/dbraw/zinc/86/21/58/1069862158.db2.gz YQBZENIGZXOYCE-ACRUOGEOSA-N 0 3 457.619 3.601 20 0 JHADHN CC[C@H](C)Oc1cc(CNC(=O)NC2CCN(Cc3ccc(NC(C)=O)cc3)CC2)ccn1 ZINC001312374913 1069894953 /nfs/dbraw/zinc/89/49/53/1069894953.db2.gz FHAVMEKCBCERSW-SFHVURJKSA-N 0 3 453.587 3.681 20 0 JHADHN FC(F)(F)c1ncnc(N2CCCN(Cc3ccccc3)CCOCC2)c1Br ZINC001307217363 1069908083 /nfs/dbraw/zinc/90/80/83/1069908083.db2.gz JHQNXNLZQHGCON-UHFFFAOYSA-N 0 3 459.310 3.987 20 0 JHADHN CN(C)CCN1CCN(C(=O)N[C@@H]2CCCCC[C@@H]2c2ccccc2C(F)(F)F)CC1=O ZINC001312409122 1069914705 /nfs/dbraw/zinc/91/47/05/1069914705.db2.gz OJJMVRKIJAOGRI-UYAOXDASSA-N 0 3 454.537 3.537 20 0 JHADHN CCOc1ncccc1Cn1c(-c2ccc(OC)cc2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C ZINC001314232242 1069921284 /nfs/dbraw/zinc/92/12/84/1069921284.db2.gz WAAQXURNWPEVSB-RTBURBONSA-N 0 3 450.587 3.715 20 0 JHADHN Cc1ccccc1CN1CCCN(C(=O)N[C@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)CC1 ZINC001312440954 1069939092 /nfs/dbraw/zinc/93/90/92/1069939092.db2.gz AVMHXXLFQMYDCZ-QFIPXVFZSA-N 0 3 458.965 3.810 20 0 JHADHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N[C@@H](CCO)c1cccc(OC(F)(F)F)c1 ZINC001312455444 1069949881 /nfs/dbraw/zinc/94/98/81/1069949881.db2.gz INWCFYHHULHVST-TYCQWZJGSA-N 0 3 451.489 3.828 20 0 JHADHN CCOC(=O)c1sc([C@@H]2CCN(C(=O)N[C@H]3CN(Cc4ccccc4)C[C@H]3C)C2)nc1C ZINC001312458646 1069951463 /nfs/dbraw/zinc/95/14/63/1069951463.db2.gz YRZILSLSDNTPDE-AHRSYUTCSA-N 0 3 456.612 3.648 20 0 JHADHN O=C(NC[C@@H]1CN(Cc2ccccc2)CCCO1)N1CCC([C@@H](O)c2ccc(F)cc2)CC1 ZINC001312501737 1069977547 /nfs/dbraw/zinc/97/75/47/1069977547.db2.gz YHVZQTOXPMLLED-RPBOFIJWSA-N 0 3 455.574 3.572 20 0 JHADHN CC(C)(C)OC(=O)N1CCN(C(=O)[C@H]2CCCN(CCc3c(F)cccc3Cl)C2)CC1 ZINC001307424809 1069978591 /nfs/dbraw/zinc/97/85/91/1069978591.db2.gz RVULNPQLKOJXNC-KRWDZBQOSA-N 0 3 453.986 3.813 20 0 JHADHN C[NH+](C)CCc1ccc(CNC(=O)N2CCC(C(=O)Nc3cc(Cl)ccc3[O-])CC2)cc1 ZINC001312519294 1069986321 /nfs/dbraw/zinc/98/63/21/1069986321.db2.gz XCQLDZPVSPZPQG-UHFFFAOYSA-N 0 3 458.990 3.710 20 0 JHADHN COC(=O)N1CCC([C@H](C)NC(=O)N(CCN(C)C)Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001312532944 1069995765 /nfs/dbraw/zinc/99/57/65/1069995765.db2.gz NEDVXLVTZNFEGW-INIZCTEOSA-N 0 3 458.525 3.646 20 0 JHADHN CCCCn1c(N)c(N(CC)C(=O)CN2CCCC[C@@H]2c2cccc(C)c2C)c(=O)[nH]c1=O ZINC001307492879 1070016439 /nfs/dbraw/zinc/01/64/39/1070016439.db2.gz FIZHETOQOVKUML-HXUWFJFHSA-N 0 3 455.603 3.528 20 0 JHADHN CN(CC(=O)NCc1ccc(OC(F)(F)F)cc1)C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001307505280 1070022166 /nfs/dbraw/zinc/02/21/66/1070022166.db2.gz YQLNFYGWPSNCGT-UHFFFAOYSA-N 0 3 459.509 3.969 20 0 JHADHN CCCN(CC(=O)NC(=O)Nc1ccc2c(c1)OCCO2)[C@@H]1C[C@H](OCC)C12CCCCC2 ZINC001307505292 1070023307 /nfs/dbraw/zinc/02/33/07/1070023307.db2.gz YWQHWOQHOPUXJU-YADHBBJMSA-N 0 3 459.587 3.946 20 0 JHADHN CCO[C@@H]1CCCN(c2nnc([C@@H]3CCCCO3)n2C[C@H](c2cccc(OC)c2)N(C)C)C1 ZINC001314277391 1070036741 /nfs/dbraw/zinc/03/67/41/1070036741.db2.gz SSHMEKFJCRYEBV-ZLNRFVROSA-N 0 3 457.619 3.837 20 0 JHADHN C[C@@H]1CN(c2ccc(NC(=O)CN(C)[C@H]3CCCN(Cc4ccccc4)C3)cc2)C[C@H](C)O1 ZINC001307525201 1070033597 /nfs/dbraw/zinc/03/35/97/1070033597.db2.gz BRBKCXXWYHOHIX-VRUMLPLGSA-N 0 3 450.627 3.835 20 0 JHADHN CCN(CC(=O)Nc1cc(C(C)(C)C)nn1C)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC001307529079 1070036641 /nfs/dbraw/zinc/03/66/41/1070036641.db2.gz NDAQXUYBUBIHNW-UHFFFAOYSA-N 0 3 455.651 3.869 20 0 JHADHN COC(=O)[C@@H](c1ccc(Cl)c(Cl)c1)N(C)CC(=O)NC[C@H](c1ccccc1)N(C)C ZINC001307573548 1070059889 /nfs/dbraw/zinc/05/98/89/1070059889.db2.gz JQIZACVPCQQNSX-TZIWHRDSSA-N 0 3 452.382 3.558 20 0 JHADHN CCOCC(C)(C)Cn1c(COc2cc(C)ccc2C)nnc1N1CCN(C2CCOCC2)CC1 ZINC001314287755 1070064162 /nfs/dbraw/zinc/06/41/62/1070064162.db2.gz MFQMEAVZRBCMPW-UHFFFAOYSA-N 0 3 485.673 3.838 20 0 JHADHN C[C@H](NC(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F)[C@H](c1ccccc1)N(C)C ZINC001312661590 1070068936 /nfs/dbraw/zinc/06/89/36/1070068936.db2.gz RZMPENMGCGLEHN-YTQUADARSA-N 0 3 454.562 3.869 20 0 JHADHN C[C@H](NC(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F)[C@@H](c1ccccc1)N(C)C ZINC001312661587 1070069172 /nfs/dbraw/zinc/06/91/72/1070069172.db2.gz RZMPENMGCGLEHN-WDSOQIARSA-N 0 3 454.562 3.869 20 0 JHADHN CC[C@@](C)(COc1ncccc1Cl)NCC(=O)Nc1sc2c(c1C(N)=O)CCCC2 ZINC001307591938 1070070290 /nfs/dbraw/zinc/07/02/90/1070070290.db2.gz HXLPNPDFHVCHID-NRFANRHFSA-N 0 3 450.992 3.550 20 0 JHADHN C[C@@H]1CN(CC(=O)Nc2ccc(S(=O)(=O)N(C)Cc3ccccc3)cc2)[C@@H]2CCCC[C@@H]21 ZINC001307604868 1070078308 /nfs/dbraw/zinc/07/83/08/1070078308.db2.gz VOMOTJRJMIKGBI-CTUHWIOQSA-N 0 3 455.624 3.956 20 0 JHADHN CCOCc1ccccc1Cn1c(C(C)C)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC001314295311 1070078433 /nfs/dbraw/zinc/07/84/33/1070078433.db2.gz JPDBNQAXCOXSMQ-DEOSSOPVSA-N 0 3 454.663 3.591 20 0 JHADHN C[C@H](c1ccc(F)cc1)N1CCC[C@H](NC(=O)N(CCN(C)C)Cc2ccccc2F)C1=O ZINC001312757654 1070106858 /nfs/dbraw/zinc/10/68/58/1070106858.db2.gz QKLFDLSZQWKUHS-JPYJTQIMSA-N 0 3 458.553 3.790 20 0 JHADHN COc1ccccc1C(=O)c1c(NC(=O)CN[C@@H]2CCC[C@@H]2CCO)sc2c1CCCC2 ZINC001307684662 1070124756 /nfs/dbraw/zinc/12/47/56/1070124756.db2.gz UDNCGAKAQQNGNL-VQIMIIECSA-N 0 3 456.608 3.946 20 0 JHADHN C[C@@H](c1ccc(OC(F)F)cc1)N1CCC[C@H](N2CCN(C(=O)OC(C)(C)C)CC2=O)C1 ZINC001307700171 1070134235 /nfs/dbraw/zinc/13/42/35/1070134235.db2.gz ZRPKSFLIGNDYCD-WMZOPIPTSA-N 0 3 453.530 3.893 20 0 JHADHN CC(C)Cc1ccc([C@H](CNC(=O)NCc2ccnc(N3CCSCC3)c2)N(C)C)cc1 ZINC001312816384 1070139860 /nfs/dbraw/zinc/13/98/60/1070139860.db2.gz DIMWDFKYQHYWTI-QHCPKHFHSA-N 0 3 455.672 3.935 20 0 JHADHN CCOCc1nnc(N2CC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)n1C[C@H](c1ccccc1)N(C)C ZINC001314342642 1070144299 /nfs/dbraw/zinc/14/42/99/1070144299.db2.gz WCNYQHWMTUTBIF-RBBKRZOGSA-N 0 3 486.661 3.811 20 0 JHADHN CCOCc1nnc(N2CCC(CN3CCOCC3)CC2)n1C[C@@H](C)Sc1ccccc1 ZINC001314343004 1070145836 /nfs/dbraw/zinc/14/58/36/1070145836.db2.gz PVYJLHUARMGLMD-HXUWFJFHSA-N 0 3 459.660 3.544 20 0 JHADHN C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCCN2CC(=O)Nc2ccc(I)cc2)C1 ZINC001307732956 1070155811 /nfs/dbraw/zinc/15/58/11/1070155811.db2.gz SSQXZZKDWIULHX-AXUOBQJMSA-N 0 3 456.368 3.881 20 0 JHADHN 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CCN1C[C@H](C)N(c2nnc([C@H]3COc4ccccc4O3)n2CC(F)(F)Br)C[C@@H]1C ZINC001313865503 1071393288 /nfs/dbraw/zinc/39/32/88/1071393288.db2.gz DWDCDUAARJWEGW-GRDNDAEWSA-N 0 3 486.361 3.697 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(CCCOc3ccc(Cl)cc3C)n2C[C@H]2COCCO2)C[C@H]1C ZINC001313865680 1071393340 /nfs/dbraw/zinc/39/33/40/1071393340.db2.gz CPMCABYZJFFLLQ-SJBKTWHCSA-N 0 3 492.064 3.586 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(-c3nn(CC)c(=O)c4ccccc43)n2CC(CC)(CC)OC)C[C@@H]1C ZINC001313865015 1071390344 /nfs/dbraw/zinc/39/03/44/1071390344.db2.gz NNYIVSOQWZULOD-VQTJNVASSA-N 0 3 495.672 3.799 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(-c3cnn(C)c3)n2CCc2ccc(Br)s2)C[C@@H]1C ZINC001313866853 1071396532 /nfs/dbraw/zinc/39/65/32/1071396532.db2.gz QZQLGUJFKKAJJJ-LSDHHAIUSA-N 0 3 478.464 3.664 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H](C)NC(=O)OC(C)(C)C)C[C@H]1C ZINC001313867099 1071397840 /nfs/dbraw/zinc/39/78/40/1071397840.db2.gz LFMPDCWYKIXUIY-BRWVUGGUSA-N 0 3 478.041 3.826 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(-c3ccc(Cl)cc3Cl)n2CCOCCOC)C[C@H]1C ZINC001313867125 1071397888 /nfs/dbraw/zinc/39/78/88/1071397888.db2.gz LMPKNIMFJLTFEI-HZPDHXFCSA-N 0 3 456.418 3.834 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2C[C@H]2CCOC2)C[C@H]1C ZINC001313867628 1071400785 /nfs/dbraw/zinc/40/07/85/1071400785.db2.gz MSCCYATYUCSXDD-HSALFYBXSA-N 0 3 457.619 3.696 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CCC2(O)CCC2)C[C@@H]1C ZINC001313869718 1071410128 /nfs/dbraw/zinc/41/01/28/1071410128.db2.gz PUQDYLQXQJXCJT-VQTJNVASSA-N 0 3 490.693 3.617 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(Cc3csc(C)n3)n2CCc2ccc(OC)c(OC)c2)C[C@@H]1C ZINC001313869594 1071409462 /nfs/dbraw/zinc/40/94/62/1071409462.db2.gz QKSNWUMZMDAJHG-ZWKOTPCHSA-N 0 3 484.670 3.813 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(CCc3ccc(OC)cc3)n2Cc2cnc(C)s2)C[C@@H]1C ZINC001313870575 1071413400 /nfs/dbraw/zinc/41/34/00/1071413400.db2.gz UXQFNNNOCGTWMP-ROUUACIJSA-N 0 3 454.644 3.804 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(Cc3ccccc3C)n2CCCN(C)CC(F)(F)F)C[C@@H]1C ZINC001313870605 1071414068 /nfs/dbraw/zinc/41/40/68/1071414068.db2.gz FBSNDDFCZIBDIC-VQTJNVASSA-N 0 3 466.596 3.980 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(Cc3c(F)cccc3F)n2Cc2ccc(OC)nc2)C[C@H]1C ZINC001313871635 1071417462 /nfs/dbraw/zinc/41/74/62/1071417462.db2.gz GVMKKFFBCSJODW-IAGOWNOFSA-N 0 3 456.541 3.518 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(Cc3ccccn3)n2Cc2ccc(OC)c(Cl)c2)C[C@H]1C ZINC001313871780 1071418351 /nfs/dbraw/zinc/41/83/51/1071418351.db2.gz HLYUFJTTZNKCJH-MSOLQXFVSA-N 0 3 455.006 3.893 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3ccccn3)n2Cc2cccnc2OCC(F)(F)F)C[C@H]1C ZINC001313872689 1071422939 /nfs/dbraw/zinc/42/29/39/1071422939.db2.gz KFHPZBXXPYKPGJ-SJORKVTESA-N 0 3 475.519 3.643 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(-c3ccc(OC)c(OC)c3)n2CC(C)(C)CCOC)C[C@@H]1C ZINC001313873436 1071424856 /nfs/dbraw/zinc/42/48/56/1071424856.db2.gz ZTLKEBQUMIFSOU-RBUKOAKNSA-N 0 3 459.635 3.944 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@]2(O)CCO[C@@H]2C)C[C@@H]1C ZINC001313873920 1071427105 /nfs/dbraw/zinc/42/71/05/1071427105.db2.gz FFWFEHWYMOHEKZ-ZDPRRSKRSA-N 0 3 498.455 3.623 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(COc3ccc(OC)cc3)n2CC2(CC)CCOCC2)C[C@H]1C ZINC001313874812 1071430594 /nfs/dbraw/zinc/43/05/94/1071430594.db2.gz KGZSUUFZVOYVSY-RTWAWAEBSA-N 0 3 471.646 3.991 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(Cc3ccccc3OC)n2CCc2csc(C)n2)C[C@@H]1C ZINC001313875258 1071432818 /nfs/dbraw/zinc/43/28/18/1071432818.db2.gz PTOPMDVXUMGJHH-ROUUACIJSA-N 0 3 454.644 3.804 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(COc3cc(C)ccc3C)n2Cc2ccc(OC)nc2)C[C@H]1C ZINC001313876001 1071436863 /nfs/dbraw/zinc/43/68/63/1071436863.db2.gz NQQOZTBMXOZYCC-NHCUHLMSSA-N 0 3 464.614 3.845 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3ccccc3C)n2CC[C@H](N2CCOCC2)C(F)(F)F)C[C@H]1C ZINC001313878494 1071445412 /nfs/dbraw/zinc/44/54/12/1071445412.db2.gz YPAYYGGUFVHKSE-URVUXULASA-N 0 3 494.606 3.826 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3ccccc3C)n2CCC(=O)N2CCCCCC2)C[C@H]1C ZINC001313877321 1071441615 /nfs/dbraw/zinc/44/16/15/1071441615.db2.gz WQBQUKFDRLCDCD-YADHBBJMSA-N 0 3 452.647 3.965 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(Cc3cccnc3)n2Cc2ccnc(OCC(F)(F)F)c2)C[C@H]1C ZINC001313878142 1071443765 /nfs/dbraw/zinc/44/37/65/1071443765.db2.gz VJKVCZDRFMGETE-QZTJIDSGSA-N 0 3 489.546 3.567 20 0 JHADHN CCN1C[C@H](C)N(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC2CCN(C(=O)OC)CC2)C[C@@H]1C ZINC001313880763 1071453065 /nfs/dbraw/zinc/45/30/65/1071453065.db2.gz AOGZMAZVWFMOOK-SEIRJHJZSA-N 0 3 490.693 3.594 20 0 JHADHN CCN1C[C@H](C)N(c2nnc([C@H]3CCCO3)n2CCOc2cccc(C(F)(F)F)n2)C[C@@H]1C ZINC001313882751 1071459709 /nfs/dbraw/zinc/45/97/09/1071459709.db2.gz GYZUMZLFHGGTOJ-YESZJQIVSA-N 0 3 468.524 3.541 20 0 JHADHN CCN1C[C@H](C)N(c2nnc([C@H]3OCC[C@H]3COC)n2CCOc2ccc(Cl)cc2)C[C@H]1C ZINC001313884469 1071463515 /nfs/dbraw/zinc/46/35/15/1071463515.db2.gz LVOWUHASYBUPJG-GHDARCQNSA-N 0 3 478.037 3.653 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc([C@H]3CCCO3)n2Cc2ccc(I)cc2)C[C@H]1C ZINC001313885514 1071467003 /nfs/dbraw/zinc/46/70/03/1071467003.db2.gz PGBOHNDCLNSXQI-GPMSIDNRSA-N 0 3 495.409 3.701 20 0 JHADHN CCN1C[C@H](C)N(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC(O)(CC)CC)C[C@H]1C ZINC001313886326 1071469791 /nfs/dbraw/zinc/46/97/91/1071469791.db2.gz RTDUIFIUOWKZRX-WCIQWLHISA-N 0 3 478.682 3.519 20 0 JHADHN CCn1cccc(Cn2c(CSc3ccccc3OC)nnc2N2C[C@H](C)N(CC)C[C@@H]2C)c1=O ZINC001313886307 1071470004 /nfs/dbraw/zinc/47/00/04/1071470004.db2.gz RLDUTKZIYJMCFH-PMACEKPBSA-N 0 3 496.681 3.728 20 0 JHADHN CCN1C[C@H](C)N(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2ccc(NC(C)=O)nc2)C[C@@H]1C ZINC001313889335 1071480021 /nfs/dbraw/zinc/48/00/21/1071480021.db2.gz XPQOUKZOTFAEAU-MYEKKWIISA-N 0 3 483.661 3.517 20 0 JHADHN CCN1CCC[C@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@H](OCC(C)C)C1 ZINC001313898041 1071504073 /nfs/dbraw/zinc/50/40/73/1071504073.db2.gz NBOIQDTVIOEHDN-VXKWHMMOSA-N 0 3 489.064 3.597 20 0 JHADHN CCN1CCCC[C@@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@@H](OCCOC)C1 ZINC001313902965 1071514305 /nfs/dbraw/zinc/51/43/05/1071514305.db2.gz AZPNNYLENJISDO-DNQXCXABSA-N 0 3 498.672 3.653 20 0 JHADHN CCN1CCCC[C@@H]1Cn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CCS(=O)CC1 ZINC001313908087 1071529662 /nfs/dbraw/zinc/52/96/62/1071529662.db2.gz LVGRATSVTZETBV-JOCHJYFZSA-N 0 3 473.687 3.813 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(-c3cccc(OC(F)F)c3)nnc2N2CCC[C@@H]2CSC)CC1 ZINC001313920687 1071559506 /nfs/dbraw/zinc/55/95/06/1071559506.db2.gz LORUHLZVPIILAB-AZUAARDMSA-N 0 3 494.656 3.904 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(-c3ccc(C(C)(C)C)cc3)nnc2N(C)CCCOC)CC1 ZINC001313920999 1071560548 /nfs/dbraw/zinc/56/05/48/1071560548.db2.gz NJGQCSLFRBJPNF-NRFANRHFSA-N 0 3 456.679 3.741 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(-c3cccnc3)nnc2N(C)Cc2ccccc2Br)CC1 ZINC001313924358 1071569724 /nfs/dbraw/zinc/56/97/24/1071569724.db2.gz DHSYXURHIQKXRW-IBGZPJMESA-N 0 3 498.473 3.765 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(COc3cc(C)cc(C)c3)nnc2N2CCCC[C@H](COC)C2)CC1 ZINC001313926162 1071575652 /nfs/dbraw/zinc/57/56/52/1071575652.db2.gz AGRIWZBGVZXFCF-RPBOFIJWSA-N 0 3 498.716 3.753 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(CC3CCCC3)nnc2N2CCC=C(Br)C2)CC1 ZINC001313926352 1071576348 /nfs/dbraw/zinc/57/63/48/1071576348.db2.gz FECSUFLJDNDUDS-SFHVURJKSA-N 0 3 465.484 3.526 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(COc3ccc(F)cc3)nnc2N(C)C2CCCCC2)CC1 ZINC001313926451 1071576441 /nfs/dbraw/zinc/57/64/41/1071576441.db2.gz CHLKTMYJESIWTO-FQEVSTJZSA-N 0 3 458.626 3.791 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(-c3ccccc3Cl)nnc2N2C[C@@H](C)OC(C)(C)C2)CC1 ZINC001313926779 1071577393 /nfs/dbraw/zinc/57/73/93/1071577393.db2.gz YCLFFTCGESVDGT-RBUKOAKNSA-N 0 3 461.054 3.628 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(-c3ccccc3C)nnc2N2CCC[C@H](OCC(F)(F)F)C2)CC1 ZINC001313927054 1071578892 /nfs/dbraw/zinc/57/88/92/1071578892.db2.gz ZCRAWWOCCROSFV-SFTDATJTSA-N 0 3 494.606 3.827 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(Cc3ccncc3)nnc2N(C)[C@@H](C)c2ccc(F)c(F)c2)CC1 ZINC001313927342 1071579987 /nfs/dbraw/zinc/57/99/87/1071579987.db2.gz JSGJBKBUDHOTSM-UXHICEINSA-N 0 3 483.611 3.766 20 0 JHADHN CCN1CCN([C@H](C)Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)Cc2ccc(OC)cc2)CC1 ZINC001313927436 1071580767 /nfs/dbraw/zinc/58/07/67/1071580767.db2.gz LALMCADFKZFIAK-NQHRYMMQSA-N 0 3 498.716 3.868 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(COc3cc(C)ccc3C(C)C)nnc2N2CCCC2)CC1 ZINC001313927539 1071580834 /nfs/dbraw/zinc/58/08/34/1071580834.db2.gz LXGQFRWGASLNES-QFIPXVFZSA-N 0 3 454.663 3.915 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(COc3ccccc3OC)nnc2N2CCC(C(C)C)CC2)CC1 ZINC001313929280 1071586703 /nfs/dbraw/zinc/58/67/03/1071586703.db2.gz YHYFNFGHJYWYKQ-QFIPXVFZSA-N 0 3 484.689 3.764 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(CC(C)C)nnc2N2CCC(C(F)(F)F)(C(F)(F)F)C2)CC1 ZINC001313929423 1071586743 /nfs/dbraw/zinc/58/67/43/1071586743.db2.gz RRWQAZGHZHIFII-INIZCTEOSA-N 0 3 484.533 3.824 20 0 JHADHN CCN1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CCn2ccnc2C)C[C@H]1C ZINC001313931295 1071591755 /nfs/dbraw/zinc/59/17/55/1071591755.db2.gz QVXZTSGVGGJTBI-MSOLQXFVSA-N 0 3 458.010 3.807 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(Cc3csc(C)n3)nnc2N2CCC(C(C)C)CC2)CC1 ZINC001313931399 1071591913 /nfs/dbraw/zinc/59/19/13/1071591913.db2.gz YSLAVCGGPYZWND-IBGZPJMESA-N 0 3 459.708 3.532 20 0 JHADHN CCN1CCN([C@H]2CCN(c3nnc(C(C)C)n3Cc3cccc(COCC(F)(F)F)c3)C2)CC1 ZINC001313941913 1071618320 /nfs/dbraw/zinc/61/83/20/1071618320.db2.gz BDUSMOUZWUUOSP-QFIPXVFZSA-N 0 3 494.606 3.745 20 0 JHADHN CCN1CCN([C@H]2CCN(c3nnc(C(C)(C)C)n3Cc3ccc(OC)c(Cl)c3)C2)CC1 ZINC001313943140 1071621941 /nfs/dbraw/zinc/62/19/41/1071621941.db2.gz OXMSLMFTMWEETF-IBGZPJMESA-N 0 3 461.054 3.502 20 0 JHADHN CCN1CCN([C@@H]2CCN(c3nnc(C(C)C)n3C[C@H](OC(C)C)c3ccccc3OC)C2)CC1 ZINC001313944254 1071624451 /nfs/dbraw/zinc/62/44/51/1071624451.db2.gz ZBJCAMXXXJHNCO-RDGATRHJSA-N 0 3 484.689 3.793 20 0 JHADHN CCN1CCN([C@@H]2CCN(c3nnc(-c4ccc(C(C)(C)C)cc4)n3C[C@@H](C)COC)C2)CC1 ZINC001313945325 1071626229 /nfs/dbraw/zinc/62/62/29/1071626229.db2.gz MZNMTRXKARQDFP-ZJSXRUAMSA-N 0 3 468.690 3.741 20 0 JHADHN CCN1CCN(c2nnc(COc3ccc(C)cc3)n2CCCCn2ccnc2C)C[C@@H]1C ZINC001313947110 1071631189 /nfs/dbraw/zinc/63/11/89/1071631189.db2.gz FIKURXIIGWBVKZ-NRFANRHFSA-N 0 3 451.619 3.681 20 0 JHADHN CCN1CCN(C[C@@H](C)Cn2c([C@H]3CCCO3)nnc2N(C)C[C@@H](C)c2ccccc2)CC1 ZINC001313951028 1071639978 /nfs/dbraw/zinc/63/99/78/1071639978.db2.gz CTCUGPHRZCVRDA-CQOQZXRMSA-N 0 3 454.663 3.643 20 0 JHADHN CCN1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@@H]2CN(CC(C)C)CCO2)C[C@@H]1C ZINC001313949373 1071635825 /nfs/dbraw/zinc/63/58/25/1071635825.db2.gz PHMWMFPTJJTYQB-GOTSBHOMSA-N 0 3 486.730 3.766 20 0 JHADHN CCN1CCN(C[C@H](C)Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2CCSC[C@@H]2C)CC1 ZINC001313951219 1071641137 /nfs/dbraw/zinc/64/11/37/1071641137.db2.gz RMRWJTSLOVLBOR-ACRUOGEOSA-N 0 3 490.693 3.773 20 0 JHADHN CCN1CCN(C[C@@H](C)Cn2c([C@H](C)Oc3cccc(Cl)c3)nnc2N(C)C2CC2)CC1 ZINC001313951717 1071643046 /nfs/dbraw/zinc/64/30/46/1071643046.db2.gz VMBGLQDNCNFZJF-MOPGFXCFSA-N 0 3 461.054 3.944 20 0 JHADHN CCN1CCN(C[C@H](C)Cn2c(COc3ccccc3F)nnc2N2CCC(C)CC2)CC1 ZINC001313952181 1071644279 /nfs/dbraw/zinc/64/42/79/1071644279.db2.gz OIIYSEPIRAQGSH-NRFANRHFSA-N 0 3 458.626 3.506 20 0 JHADHN CCN1CCN(C[C@H](C)Cn2c([C@H]3CCCO3)nnc2N(C)Cc2cc(Cl)ccc2OC)CC1 ZINC001313952107 1071644466 /nfs/dbraw/zinc/64/44/66/1071644466.db2.gz NBGZHBNCLFBZJP-WMZHIEFXSA-N 0 3 491.080 3.702 20 0 JHADHN CCN1CCN(CCCn2c(CC(C)(C)C)nnc2N2CCC[C@H](c3noc(C(C)C)n3)C2)CC1 ZINC001313956556 1071658050 /nfs/dbraw/zinc/65/80/50/1071658050.db2.gz HROUFXRUBLIWOU-NRFANRHFSA-N 0 3 486.709 3.785 20 0 JHADHN CCN1CCN(CCCn2c(CC(C)(C)C)nnc2N2CC[C@@H](COc3ccccc3)C2)CC1 ZINC001313957467 1071660657 /nfs/dbraw/zinc/66/06/57/1071660657.db2.gz UUTQGKYMHCRTBA-HSZRJFAPSA-N 0 3 468.690 3.800 20 0 JHADHN CCN1CCN(C[C@@H](C)Cn2c(CCc3ccccc3)nnc2N2C[C@@H](C)[C@H](C(F)(F)F)C2)CC1 ZINC001313957674 1071661180 /nfs/dbraw/zinc/66/11/80/1071661180.db2.gz RPJOTCTTZPIZDL-MQSCRBSSSA-N 0 3 492.634 3.972 20 0 JHADHN CCN1CCN(C[C@H](C)Cn2c(COc3cc(C)ccc3C(C)C)nnc2N2CCO[C@H](C)C2)CC1 ZINC001313957909 1071661794 /nfs/dbraw/zinc/66/17/94/1071661794.db2.gz SALCCVMVKCKIPA-BJKOFHAPSA-N 0 3 498.716 3.788 20 0 JHADHN CCN1CCN(C[C@H](C)Cn2c(COc3cccc(C)c3)nnc2N2CCS[C@H](C)[C@H]2C)CC1 ZINC001313958125 1071662965 /nfs/dbraw/zinc/66/29/65/1071662965.db2.gz UJKFYMMGUXXZTH-YTFSRNRJSA-N 0 3 486.730 3.769 20 0 JHADHN CCN1CCN(CCCn2c(C(C)C)nnc2N2CCO[C@H](c3nc(C(C)(C)C)cs3)C2)CC1 ZINC001313960076 1071668669 /nfs/dbraw/zinc/66/86/69/1071668669.db2.gz HDQKDNCXVRJWFP-FQEVSTJZSA-N 0 3 489.734 3.761 20 0 JHADHN CCN1CCN(C[C@H](C)Cn2c(Cc3ccccn3)nnc2N2CCC(CC)(CC)C2)CC1 ZINC001313959100 1071665887 /nfs/dbraw/zinc/66/58/87/1071665887.db2.gz ZKKJFOQFYXFLNF-QFIPXVFZSA-N 0 3 453.679 3.554 20 0 JHADHN CCN1CCN(CCCn2c(COc3ccc(C(C)(C)C)cc3)nnc2N2CCCO[C@H](C)C2)CC1 ZINC001313960107 1071668793 /nfs/dbraw/zinc/66/87/93/1071668793.db2.gz DQNYXNHPPDPXCP-HSZRJFAPSA-N 0 3 498.716 3.797 20 0 JHADHN CCN1CCN(CCCn2c(COc3cc(C)cc(C)c3)nnc2N2CC[C@@H](C)[C@@H]2C)CC1 ZINC001313960791 1071671199 /nfs/dbraw/zinc/67/11/99/1071671199.db2.gz MPWLMDKGRNCHST-PKTZIBPZSA-N 0 3 454.663 3.736 20 0 JHADHN CCN1CCN(CCCn2c(COc3ccccc3OC)nnc2N2C[C@@H](C)CC[C@H]2C)CC1 ZINC001313961073 1071671801 /nfs/dbraw/zinc/67/18/01/1071671801.db2.gz QASWWXHUXPWXRX-FCHUYYIVSA-N 0 3 470.662 3.518 20 0 JHADHN CCN1CCN(CCCn2c(COc3cc(C)cc(C)c3)nnc2N2C[C@@H](C)S[C@@H](C)C2)CC1 ZINC001313961543 1071672785 /nfs/dbraw/zinc/67/27/85/1071672785.db2.gz ULJOYISSJOQPAB-ZRZAMGCNSA-N 0 3 486.730 3.832 20 0 JHADHN CCOC(=O)N(C)C1CCN(c2nnc(CC(C)C)n2C[C@@H](c2ccccc2)N(C)C)CC1 ZINC001314016916 1071761730 /nfs/dbraw/zinc/76/17/30/1071761730.db2.gz UPCDILXVGFCYNZ-QFIPXVFZSA-N 0 3 456.635 3.837 20 0 JHADHN CCOC(=O)N1CCN(c2nnc(-c3ccccc3OC)n2C[C@@H](c2ccco2)N(CC)CC)CC1 ZINC001314023435 1071779212 /nfs/dbraw/zinc/77/92/12/1071779212.db2.gz UNYCXQBPDCQOEL-NRFANRHFSA-N 0 3 496.612 3.908 20 0 JHADHN CCOC(=O)N[C@@H](CC(C)C)Cn1c(C2CCCC2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C ZINC001314028848 1071796809 /nfs/dbraw/zinc/79/68/09/1071796809.db2.gz HOIRLXYGZLTZFE-UNMCSNQZSA-N 0 3 490.693 3.786 20 0 JHADHN CCOC(=O)N[C@H]1CCCN(c2nnc([C@@H](C)CC)n2CCCN2CCN(c3ccccc3)CC2)C1 ZINC001314036525 1071827403 /nfs/dbraw/zinc/82/74/03/1071827403.db2.gz OKTIXVOGRCUIJU-GOTSBHOMSA-N 0 3 497.688 3.719 20 0 JHADHN CCOC(=O)N[C@H]1CCCN(c2nnc([C@H]3CCCO3)n2C[C@H](c2ccsc2)N(CC)CC)C1 ZINC001314044775 1071858146 /nfs/dbraw/zinc/85/81/46/1071858146.db2.gz VSEQJMPLDLWVPA-PWRODBHTSA-N 0 3 490.674 3.989 20 0 JHADHN CCO[C@@]1(c2nnc(N3CCC(CC)CC3)n2C[C@@H](c2cccc(OC)c2)N(C)C)CCOC1 ZINC001314111288 1072005465 /nfs/dbraw/zinc/00/54/65/1072005465.db2.gz JFURVPQKCQROSU-OZXSUGGESA-N 0 3 471.646 3.868 20 0 JHADHN CCO[C@@]1(c2nnc(N3CCN(C(C)(C)C)CC3)n2C[C@@H](C)Cc2cccs2)CCOC1 ZINC001314134317 1072046279 /nfs/dbraw/zinc/04/62/79/1072046279.db2.gz IJFCAGMSXYETCN-CYFREDJKSA-N 0 3 461.676 3.791 20 0 JHADHN CCc1ccc(-c2nnc(N3C[C@H](C)N(CC)C[C@H]3C)n2C[C@H](N2CCOCC2)C(F)(F)F)cc1 ZINC001305927175 1068224920 /nfs/dbraw/zinc/22/49/20/1068224920.db2.gz BUEBZCIVUXCAMS-JQVVWYNYSA-N 0 3 494.606 3.690 20 0 JHADHN CCc1ccc(-c2nnc(N3CCC(S(=O)(=O)CC)CC3)n2CCN(C)[C@H](C)CC)cc1 ZINC001305936972 1068241314 /nfs/dbraw/zinc/24/13/14/1068241314.db2.gz FNAAXSKWRZMISL-LJQANCHMSA-N 0 3 461.676 3.641 20 0 JHADHN CCc1nnc(N(C)C2CCN(CCn3cccn3)CC2)n1CC(C)(C)c1cccc(OC)c1 ZINC001306070216 1068505835 /nfs/dbraw/zinc/50/58/35/1068505835.db2.gz CXZIRSIXBPJSRR-UHFFFAOYSA-N 0 3 465.646 3.624 20 0 JHADHN CCc1nnc(N2CCC[C@H](N(C)C(=O)OC(C)(C)C)C2)n1C[C@@H](c1cccc(OC)c1)N(C)C ZINC001306164719 1068560129 /nfs/dbraw/zinc/56/01/29/1068560129.db2.gz APGYCRALXLCMAT-UNMCSNQZSA-N 0 3 486.661 3.988 20 0 JHADHN CCc1nnc(N2CCN(C(=O)CC3CCCCC3)CC2)n1C[C@H](c1ccc(F)cc1)N(C)C ZINC001306186068 1068577451 /nfs/dbraw/zinc/57/74/51/1068577451.db2.gz RDDWTAFYFKDARO-HSZRJFAPSA-N 0 3 470.637 3.902 20 0 JHADHN CCc1noc(C)c1Cn1c(-c2cc(Br)cn2C)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C ZINC001306233696 1068625318 /nfs/dbraw/zinc/62/53/18/1068625318.db2.gz XEXCOUDTVBFLQP-CABCVRRESA-N 0 3 490.450 3.872 20 0 JHADHN CCc1noc(C)c1Cn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@@H](C)N(CC)C[C@H]1C ZINC001306235332 1068628077 /nfs/dbraw/zinc/62/80/77/1068628077.db2.gz SKAWEWWEZUJRAL-IAGOWNOFSA-N 0 3 468.602 3.788 20 0 JHADHN CC[C@H]1C(=O)NCCN1c1nnc(COc2ccc(Cl)cc2)n1C[C@@H](c1cccs1)N(C)C ZINC001306259321 1068667559 /nfs/dbraw/zinc/66/75/59/1068667559.db2.gz FFDHRERXDNYJLA-OALUTQOASA-N 0 3 489.045 3.590 20 0 JHADHN CC[C@H]1C[C@H](C)CN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCN1CCCCC1 ZINC001306289247 1068706927 /nfs/dbraw/zinc/70/69/27/1068706927.db2.gz UYYRGDCIORFXOX-FPOVZHCZSA-N 0 3 459.660 3.849 20 0 JHADHN CC[C@@H]1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[C@@H](C)N(C)Cc2ccccc2)C1 ZINC001306337541 1068774259 /nfs/dbraw/zinc/77/42/59/1068774259.db2.gz QQPOLQFIBIILNS-MQSCRBSSSA-N 0 3 473.687 3.717 20 0 JHADHN CC[C@@H]1CCCN1c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@H](C)N1CCN(CC)CC1 ZINC001306342434 1068779171 /nfs/dbraw/zinc/77/91/71/1068779171.db2.gz QPYNIPBWCZGYEQ-TUNNFDKTSA-N 0 3 458.626 3.962 20 0 JHADHN CC[C@H]1CCCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@H](C(C)C)N1CCCC1 ZINC001306346113 1068783655 /nfs/dbraw/zinc/78/36/55/1068783655.db2.gz LIYRCNQUTDWHEP-RBBKRZOGSA-N 0 3 459.660 3.848 20 0 JHADHN CC[C@@H]1CCN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)C1 ZINC001306361490 1068796338 /nfs/dbraw/zinc/79/63/38/1068796338.db2.gz DNRAIXJWIUOIJT-MIZPHKNDSA-N 0 3 486.636 3.736 20 0 JHADHN CC[C@@H]1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@@H](C)N2CCN(CC)CC2)C1 ZINC001306363065 1068798932 /nfs/dbraw/zinc/79/89/32/1068798932.db2.gz QFHVCDDPWHOKOO-RTBURBONSA-N 0 3 475.479 3.970 20 0 JHADHN CCC1CCN(c2nnc(Cc3ccccc3F)n2C[C@@H](C)CN2CCN(CC)CC2)CC1 ZINC001306372949 1068806119 /nfs/dbraw/zinc/80/61/19/1068806119.db2.gz GCRPDBONNQRTFP-NRFANRHFSA-N 0 3 456.654 3.908 20 0 JHADHN CCC1CCN(c2nnc(COc3ccccc3F)n2C[C@@H](C)CN2CCN(CC)CC2)CC1 ZINC001306381982 1068813028 /nfs/dbraw/zinc/81/30/28/1068813028.db2.gz SEHGDZCXNNHULS-NRFANRHFSA-N 0 3 472.653 3.896 20 0 JHADHN CC[C@@H]1CN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCCN2CCN(CC)CC2)CCS1 ZINC001306390592 1068828531 /nfs/dbraw/zinc/82/85/31/1068828531.db2.gz HZZWYKNUIQHZPQ-HSZRJFAPSA-N 0 3 499.729 3.507 20 0 JHADHN CC[C@@H]1CN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H](C)N2CCC(C)CC2)CCO1 ZINC001306394545 1068836982 /nfs/dbraw/zinc/83/69/82/1068836982.db2.gz YAJNSLWDMCIKOM-FYYLOGMGSA-N 0 3 468.646 3.883 20 0 JHADHN CC[C@@H]1CN(c2nnc(COc3ccc(Cl)cc3)n2C[C@H](C)N2CCN(CC)CC2)CCS1 ZINC001306454216 1068975587 /nfs/dbraw/zinc/97/55/87/1068975587.db2.gz SMCBVXODJSRFES-SIKLNZKXSA-N 0 3 493.121 3.868 20 0 JHADHN CC[C@H]1CN(c2nnc(COc3ccccc3F)n2C[C@H](C)CN2CCN(CC)CC2)CCS1 ZINC001306458715 1068991395 /nfs/dbraw/zinc/99/13/95/1068991395.db2.gz QPSSOUGGEQIPIM-RTWAWAEBSA-N 0 3 490.693 3.602 20 0 JHADHN CC[C@@H]1CN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H](c2ccc(C)cc2)N(C)C)CCS1 ZINC001306466640 1069005652 /nfs/dbraw/zinc/00/56/52/1069005652.db2.gz OBEJUJDNDMNYGR-AFXVXQJMSA-N 0 3 473.687 3.945 20 0 JHADHN CCCC(=O)Nc1ccc(Cn2c(-c3cccn3C)nnc2N2C[C@H](C)N(CC)C[C@@H]2C)cc1 ZINC001306494951 1069038701 /nfs/dbraw/zinc/03/87/01/1069038701.db2.gz VMFRCTTZTRZRAC-PMACEKPBSA-N 0 3 463.630 3.989 20 0 JHADHN CCN1CCN(c2cccc(NC(=O)N3CCC([C@@H](C)NC(=O)OC(C)(C)C)CC3)c2)CC1 ZINC001310598106 1069042040 /nfs/dbraw/zinc/04/20/40/1069042040.db2.gz WDKYMAYYWMJTMR-LJQANCHMSA-N 0 3 459.635 3.986 20 0 JHADHN CCN1CCN(c2cccc(NC(=O)N3C[C@@H](c4ccc(Cl)cc4)[C@H](C(=O)OC)C3)c2)CC1 ZINC001310598116 1069042225 /nfs/dbraw/zinc/04/22/25/1069042225.db2.gz WKFGZFWYTDMSJJ-XZOQPEGZSA-N 0 3 471.001 3.902 20 0 JHADHN O=C(NC[C@]1(O)CCN(Cc2ccccc2)C1)Nc1ccc(F)cc1OCCC(F)(F)F ZINC001310621664 1069063886 /nfs/dbraw/zinc/06/38/86/1069063886.db2.gz QOWXPXHVFDCMIT-OAQYLSRUSA-N 0 3 455.452 3.915 20 0 JHADHN CCn1ncc(NC(=O)NCCCCN2CCN(Cc3ccccc3)CC2)c1C(F)(F)F ZINC001310655524 1069089305 /nfs/dbraw/zinc/08/93/05/1069089305.db2.gz MPCLRHMCZRJOOE-UHFFFAOYSA-N 0 3 452.525 3.641 20 0 JHADHN CCN(C(=O)c1cc(NC(=O)NC[C@@H](C)CN2CCN(CC)CC2)ccc1Cl)C(C)C ZINC001310668894 1069098315 /nfs/dbraw/zinc/09/83/15/1069098315.db2.gz LZMWDVJAVFGBDA-GOSISDBHSA-N 0 3 452.043 3.606 20 0 JHADHN CCCC(=O)NC1CCN(c2nnc(-c3ccccn3)n2C[C@H](c2ccc(F)cc2)N(C)C)CC1 ZINC001306510976 1069103716 /nfs/dbraw/zinc/10/37/16/1069103716.db2.gz NARQACBUJGPIDV-HSZRJFAPSA-N 0 3 479.604 3.667 20 0 JHADHN CCC[C@@](C)(O)Cn1c(-c2ccc(Cl)cc2)nnc1N(C)C1CCN(CCn2cccn2)CC1 ZINC001306530642 1069169846 /nfs/dbraw/zinc/16/98/46/1069169846.db2.gz RJQUBYCKSZEYSG-RUZDIDTESA-N 0 3 486.064 3.947 20 0 JHADHN O=C(Nc1ccc(Cl)cc1OCC(F)F)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC001310824123 1069179207 /nfs/dbraw/zinc/17/92/07/1069179207.db2.gz SPOZJDWCZIYWDG-FUHWJXTLSA-N 0 3 453.917 3.988 20 0 JHADHN CC(C)(C)OC(=O)NCC[C@@H](NC(=O)NCCCN1CCc2ccccc2C1)C(F)(F)F ZINC001310883074 1069208434 /nfs/dbraw/zinc/20/84/34/1069208434.db2.gz AKJBOIZARRGMPS-GOSISDBHSA-N 0 3 458.525 3.580 20 0 JHADHN CC[C@H](CNC(=O)N[C@@H](CNC(=O)OC(C)(C)C)C(F)(F)F)N1CCc2ccccc2C1 ZINC001310932702 1069225884 /nfs/dbraw/zinc/22/58/84/1069225884.db2.gz VPQWOTRCHJWQCR-MSOLQXFVSA-N 0 3 458.525 3.578 20 0 JHADHN O=C(Nc1ccc(-c2ccc(Cl)s2)nn1)N[C@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC001310978774 1069238513 /nfs/dbraw/zinc/23/85/13/1069238513.db2.gz ZFAQECCQHSNPQX-IRXDYDNUSA-N 0 3 457.987 3.863 20 0 JHADHN CCS(=O)(=O)N(C)c1ccc(NC(=O)N(CCN(C)C)Cc2cccc(Cl)c2)cc1 ZINC001311007018 1069246213 /nfs/dbraw/zinc/24/62/13/1069246213.db2.gz ABRJNIRKSRXYIE-UHFFFAOYSA-N 0 3 453.008 3.722 20 0 JHADHN COCCN(C)CCOc1cccc(CNC(=O)Nc2cccc3c2OC(C)(C)CC3=O)c1 ZINC001311081320 1069267203 /nfs/dbraw/zinc/26/72/03/1069267203.db2.gz GSSRZAOKWZPCJD-UHFFFAOYSA-N 0 3 455.555 3.709 20 0 JHADHN COc1ccnc(OC)c1NC(=O)N1CCC(N2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC001311162778 1069286602 /nfs/dbraw/zinc/28/66/02/1069286602.db2.gz HANWOVLLPUCENV-UHFFFAOYSA-N 0 3 459.978 3.571 20 0 JHADHN CCC[C@@H]1CN(c2nnc(-c3cccn3C)n2CC2(OC)CCC(C)CC2)CCN1CCOC ZINC001306621108 1069308264 /nfs/dbraw/zinc/30/82/64/1069308264.db2.gz MQDUVTHLSHURIT-GUXMJAIHSA-N 0 3 472.678 3.816 20 0 JHADHN CCC[C@H]1CN(c2nnc(-c3cccn3C)n2CC2(OC)CCC(C)CC2)CCN1CCOC ZINC001306621109 1069308928 /nfs/dbraw/zinc/30/89/28/1069308928.db2.gz MQDUVTHLSHURIT-HCYSDIRSSA-N 0 3 472.678 3.816 20 0 JHADHN O=S1(=O)c2ccccc2[C@@]2(CCN(c3ccc(CN4CCCC4)cn3)C2)N1Cc1ccccc1 ZINC001164650394 719322834 /nfs/dbraw/zinc/32/28/34/719322834.db2.gz DIHDLUZYVLINGS-MHZLTWQESA-N 0 3 474.630 3.988 20 0 JHADHN COCc1nn(-c2nc(CN3CCCCC3)nc3sc4c(c32)CC[C@@H](C)C4)c2c1CNC2 ZINC001164710492 720079435 /nfs/dbraw/zinc/07/94/35/720079435.db2.gz IXDLOPTVMUOCFS-OAHLLOKOSA-N 0 3 452.628 3.737 20 0 JHADHN c1ccc(COc2ccc3nc(N4CCN5C[C@@H](Oc6cncnc6)C[C@@H]5C4)ccc3c2)cc1 ZINC001164741028 720718302 /nfs/dbraw/zinc/71/83/02/720718302.db2.gz RXSJAHAFZDMOPU-VWNXMTODSA-N 0 3 453.546 3.946 20 0 JHADHN Cc1ccc2nc(-c3ccccc3F)nc(N3CCN4C[C@H](Oc5cncnc5)C[C@@H]4C3)c2c1 ZINC001164742628 720719203 /nfs/dbraw/zinc/71/92/03/720719203.db2.gz WDIUVOQZWCZSQX-RTBURBONSA-N 0 3 456.525 3.876 20 0 JHADHN Fc1ccc(-c2nnc(N3CCN4C[C@H](Oc5cncnc5)C[C@@H]4C3)c3ccccc32)cc1F ZINC001164744151 720761065 /nfs/dbraw/zinc/76/10/65/720761065.db2.gz RHKNOKRMGIFGNA-QZTJIDSGSA-N 0 3 460.488 3.707 20 0 JHADHN CC(C)CN1[C@@H]2CCN(c3ncccc3CN3CCCC3)CC[C@H]2Oc2ccccc2S1(=O)=O ZINC001164756395 720971947 /nfs/dbraw/zinc/97/19/47/720971947.db2.gz HUIWCSCGGAMVHY-DHIUTWEWSA-N 0 3 484.666 3.754 20 0 JHADHN Clc1nc2c(c(N3CCN4C[C@H](OCc5cccnc5)C[C@H]4C3)n1)CN(Cc1ccccc1)C2 ZINC001164870859 721068545 /nfs/dbraw/zinc/06/85/45/721068545.db2.gz WXIGCQPWCFECLG-FCHUYYIVSA-N 0 3 477.012 3.521 20 0 JHADHN COC(=O)c1ccc(-c2ccc(N3CC[C@@]4(C3)CCC[C@H](CN3CCN(C)CC3)O4)nc2C)cc1 ZINC001164889534 721430956 /nfs/dbraw/zinc/43/09/56/721430956.db2.gz BIDYLAKYMCPWQU-UFHPHHKVSA-N 0 3 478.637 3.609 20 0 JHADHN Cc1sc2nc(CN3CCCC3)nc(N3CC[C@@]4(C3)CCC[C@H](CN3CCN(C)CC3)O4)c2c1C ZINC001164891345 721435052 /nfs/dbraw/zinc/43/50/52/721435052.db2.gz GKHHXCBEVUFYQG-AJTFRIOCSA-N 0 3 498.741 3.669 20 0 JHADHN COc1ccc(Cn2cc3[nH]c(N4CCN5C[C@H](Oc6cccc(F)c6)C[C@@H]5C4)ccc-3c2=O)cc1 ZINC001164911355 721550756 /nfs/dbraw/zinc/55/07/56/721550756.db2.gz YYSQWTSPEOPHFF-ZJSXRUAMSA-N 0 3 488.563 3.727 20 0 JHADHN COc1ccc(Cn2cc3[nH]c(N4CCN5C[C@@H](Oc6cccc(F)c6)C[C@@H]5C4)ccc-3c2=O)cc1 ZINC001164911330 721551037 /nfs/dbraw/zinc/55/10/37/721551037.db2.gz YYSQWTSPEOPHFF-QPPBQGQZSA-N 0 3 488.563 3.727 20 0 JHADHN O=C(c1cccnc1N1CCN2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1)N1CCc2ccccc21 ZINC001164909273 721552920 /nfs/dbraw/zinc/55/29/20/721552920.db2.gz UDKUJJFFYPEFAF-FYYLOGMGSA-N 0 3 458.537 3.766 20 0 JHADHN CCOC(=O)c1nc2ccccc2c(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)n1 ZINC001164904915 721586068 /nfs/dbraw/zinc/58/60/68/721586068.db2.gz HPZGQXPHSWMSSR-DEOSSOPVSA-N 0 3 467.520 3.939 20 0 JHADHN COC(=O)c1ccc2ncnc(N3CCC(F)(F)[C@@]4(CCN(Cc5ccccn5)C4)C3)c2c1 ZINC001164904114 721587344 /nfs/dbraw/zinc/58/73/44/721587344.db2.gz DFBDQABMHBQZAV-HSZRJFAPSA-N 0 3 453.493 3.549 20 0 JHADHN COC(=O)/C=C/c1cc2cc[nH]c2c(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)n1 ZINC001164907652 721717716 /nfs/dbraw/zinc/71/77/16/721717716.db2.gz SHTXQITYMALAID-QQHIZMLBSA-N 0 3 467.520 3.882 20 0 JHADHN FC1(F)CCN(c2ncnc3c2ncn3-c2ccccc2)C[C@]12CCN(Cc1ccccn1)C2 ZINC001164910507 721733260 /nfs/dbraw/zinc/73/32/60/721733260.db2.gz FODFIEXWUBBOQL-XMMPIXPASA-N 0 3 461.520 3.948 20 0 JHADHN COC(=O)c1cc(Cl)ncc1C(F)(F)N1CCC2(CC1)COCCN(Cc1ccncc1)C2 ZINC001164963199 722054959 /nfs/dbraw/zinc/05/49/59/722054959.db2.gz IHMYAKVVBXBSGH-UHFFFAOYSA-N 0 3 480.943 3.581 20 0 JHADHN COC(=O)C[C@H](c1ccnc(N2CCC3(CC2)COCCN(Cc2ccncc2)C3)c1)C1CC1 ZINC001164960759 722059332 /nfs/dbraw/zinc/05/93/32/722059332.db2.gz KNCRGAMLRLJDBH-DEOSSOPVSA-N 0 3 464.610 3.652 20 0 JHADHN c1cn(Cc2ccccc2)c2ncnc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)c12 ZINC001164974035 722124558 /nfs/dbraw/zinc/12/45/58/722124558.db2.gz IHJCXFISMAPKKL-ZCYQVOJMSA-N 0 3 454.578 3.602 20 0 JHADHN FC(F)(Oc1ccc2c(Cl)ncnc2c1)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164980311 722133013 /nfs/dbraw/zinc/13/30/13/722133013.db2.gz MRORRJGGPOWADL-LAUBAEHRSA-N 0 3 475.927 3.830 20 0 JHADHN CCOC(=O)c1ccc(C(F)(F)N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)c(Cl)n1 ZINC001164982658 722137233 /nfs/dbraw/zinc/13/72/33/722137233.db2.gz RWLRJZZFGINIAE-PXNSSMCTSA-N 0 3 480.943 3.579 20 0 JHADHN CCOC(=O)c1ccc2nc(Cl)nc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)c2c1 ZINC001164981496 722137737 /nfs/dbraw/zinc/13/77/37/722137737.db2.gz OZSNRPSZGHSSSJ-SIKLNZKXSA-N 0 3 481.984 3.582 20 0 JHADHN O=C(NC1CCCC1)c1cnc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)c(Cl)c1 ZINC001164985483 722143691 /nfs/dbraw/zinc/14/36/91/722143691.db2.gz ZPOZKSBFSBZLDD-XXBNENTESA-N 0 3 470.017 3.530 20 0 JHADHN FC(F)(c1cc(Cl)nc(-c2ccccn2)n1)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164977017 722145974 /nfs/dbraw/zinc/14/59/74/722145974.db2.gz HOAWNZITAHUMGR-AZUAARDMSA-N 0 3 486.954 3.859 20 0 JHADHN Cc1cc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)nc(-c2ccc(Cl)nc2)n1 ZINC001164974046 722151587 /nfs/dbraw/zinc/15/15/87/722151587.db2.gz OFBIINIEXPORLD-RTWAWAEBSA-N 0 3 450.974 3.623 20 0 JHADHN COc1ccc(Oc2cc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)nc(C)n2)cc1 ZINC001164972476 722152832 /nfs/dbraw/zinc/15/28/32/722152832.db2.gz IAEPDGCAKQZGPF-URXFXBBRSA-N 0 3 461.566 3.708 20 0 JHADHN FC(F)(Oc1ccc(Cl)nc1Cl)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164972243 722153815 /nfs/dbraw/zinc/15/38/15/722153815.db2.gz HNNXDBHQVXCLPJ-RDJZCZTQSA-N 0 3 459.324 3.935 20 0 JHADHN CC(=O)Oc1cc2ncnc(N3CCC[C@@]4(CCN4Cc4cccc(F)c4)C3)c2cc1OC(C)=O ZINC001164995287 722205236 /nfs/dbraw/zinc/20/52/36/722205236.db2.gz MBNXUEXIWXCWHP-AREMUKBSSA-N 0 3 478.524 3.864 20 0 JHADHN CCC[C@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@]2(O)CCCC2(C)C)CCN1CCOC ZINC001306623381 1069315021 /nfs/dbraw/zinc/31/50/21/1069315021.db2.gz RSRALUTVROPTLA-CPJSRVTESA-N 0 3 491.080 3.872 20 0 JHADHN CCC[C@@H]1CN(c2nnc(-c3cccc(C)n3)n2Cc2ccccc2F)CCN1CCOC ZINC001306623195 1069315063 /nfs/dbraw/zinc/31/50/63/1069315063.db2.gz HMLMNDKNGZSNSZ-OAQYLSRUSA-N 0 3 452.578 3.773 20 0 JHADHN CCC[C@H]1CN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H](c2cccs2)N(C)C)CCO1 ZINC001306631900 1069332407 /nfs/dbraw/zinc/33/24/07/1069332407.db2.gz VXBBEJKFWJUYRT-ROUUACIJSA-N 0 3 488.683 3.639 20 0 JHADHN CCC[C@H]1CN(c2nnc(CC(C)(C)C)n2C[C@@H]2CCCn3cc(C)nc32)CCN1CCOC ZINC001306632002 1069333009 /nfs/dbraw/zinc/33/30/09/1069333009.db2.gz VROMGCVUSZLBLP-VXKWHMMOSA-N 0 3 471.694 3.886 20 0 JHADHN CCN1CCN(Cc2ccccc2CNC(=O)N[C@@H](C)c2cc(OC)c(OC)cc2C)CC1 ZINC001311359208 1069342942 /nfs/dbraw/zinc/34/29/42/1069342942.db2.gz VYMNUDMMZMNBHC-FQEVSTJZSA-N 0 3 454.615 3.710 20 0 JHADHN Cc1cccc(N2CCN(CCCCNC(=O)NC[C@@H]3CSc4ccccc4O3)CC2)c1 ZINC001311379928 1069353995 /nfs/dbraw/zinc/35/39/95/1069353995.db2.gz HNMAYKNJHLYCHT-JOCHJYFZSA-N 0 3 454.640 3.750 20 0 JHADHN CCN(CC)[C@H](CNC(=O)N1CC(O)(c2ccc(Br)cc2)C1)c1ccsc1 ZINC001311394132 1069359450 /nfs/dbraw/zinc/35/94/50/1069359450.db2.gz HNDGSYPJRUYACH-GOSISDBHSA-N 0 3 452.418 3.807 20 0 JHADHN CCCCCn1c(CCc2ccccc2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 ZINC001306654241 1069365631 /nfs/dbraw/zinc/36/56/31/1069365631.db2.gz HMXPESLSWJXCPI-RDGATRHJSA-N 0 3 466.674 3.632 20 0 JHADHN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2CN(C(=O)NCCCN3CCc4ccccc4C3)C[C@H]21 ZINC001311405483 1069364059 /nfs/dbraw/zinc/36/40/59/1069364059.db2.gz WICIJDLZRLNQIS-DNVJHFABSA-N 0 3 456.631 3.770 20 0 JHADHN CC1(C)C[C@@H](NC(=O)NCCCN2CCN(Cc3ccccc3)CC2)c2ccc(F)cc2O1 ZINC001311421926 1069369122 /nfs/dbraw/zinc/36/91/22/1069369122.db2.gz GFXRMXBQOIVFTE-HSZRJFAPSA-N 0 3 454.590 3.935 20 0 JHADHN CN1CCN(CCCNC(=O)N2CCC[C@@H]2C[C@@H](O)c2cccs2)[C@H](c2ccccc2)C1 ZINC001311422775 1069370819 /nfs/dbraw/zinc/37/08/19/1069370819.db2.gz JPVSXOMTENVNCA-XPWALMASSA-N 0 3 456.656 3.724 20 0 JHADHN CC(=O)Nc1ccc(CN2CCC(NC(=O)NCCSCc3ccccc3F)CC2)cc1 ZINC001311443241 1069382474 /nfs/dbraw/zinc/38/24/74/1069382474.db2.gz VWVDAFCRUKWQPF-UHFFFAOYSA-N 0 3 458.603 3.981 20 0 JHADHN Cc1cc([C@@H]2CCN(C(=O)NCc3ccc(CN4CCN(C)CC4)cc3)C2)c(O)cc1Cl ZINC001311496682 1069406396 /nfs/dbraw/zinc/40/63/96/1069406396.db2.gz OMXCHYVYISIYCW-OAQYLSRUSA-N 0 3 457.018 3.801 20 0 JHADHN CCCCN(CC)c1nnc(-c2cnn(C)c2)n1C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC001306691835 1069429152 /nfs/dbraw/zinc/42/91/52/1069429152.db2.gz MSEJWLBGKJDXJQ-QHCPKHFHSA-N 0 3 451.619 3.596 20 0 JHADHN CCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC001306700201 1069435679 /nfs/dbraw/zinc/43/56/79/1069435679.db2.gz FSDIDBILANKXQG-SFTDATJTSA-N 0 3 458.626 3.962 20 0 JHADHN CC1CCN([C@@H](CNC(=O)NC[C@H](CO)Cc2ccc(F)c(F)c2)c2cccs2)CC1 ZINC001311568118 1069441463 /nfs/dbraw/zinc/44/14/63/1069441463.db2.gz BWTQWRIXXJRCTQ-NQIIRXRSSA-N 0 3 451.583 3.950 20 0 JHADHN CN(C)[C@@H](CNC(=O)N1CCO[C@H](c2cccc(OC(F)(F)F)c2)C1)Cc1ccccc1 ZINC001311571473 1069443389 /nfs/dbraw/zinc/44/33/89/1069443389.db2.gz LNCCYALURHMPOQ-CTNGQTDRSA-N 0 3 451.489 3.841 20 0 JHADHN COc1cccc([C@H](CNC(=O)NCc2ccc(C)cc2O[C@H]2CCOC2)N2CCCC2)c1 ZINC001311582954 1069450099 /nfs/dbraw/zinc/45/00/99/1069450099.db2.gz ZJOQQRQHVNUEFZ-ZEQRLZLVSA-N 0 3 453.583 3.808 20 0 JHADHN COC(=O)[C@@H]1CN(C(=O)NCC2(N3CCSCC3)CCCC2)C[C@H]1c1ccc(Cl)cc1 ZINC001311583926 1069450194 /nfs/dbraw/zinc/45/01/94/1069450194.db2.gz LYWFBILAJRPNOJ-VQTJNVASSA-N 0 3 466.047 3.600 20 0 JHADHN CC(C)(C)OC(=O)Nc1nc(CNC(=O)NCC2(N3CCSCC3)CCCC2)cs1 ZINC001311584910 1069451111 /nfs/dbraw/zinc/45/11/11/1069451111.db2.gz UHKBAADPJBZFLH-UHFFFAOYSA-N 0 3 455.650 3.651 20 0 JHADHN CCCCN1CCCC[C@@H]1Cn1c(-c2ccc(C)o2)nnc1N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O ZINC001306723510 1069463634 /nfs/dbraw/zinc/46/36/34/1069463634.db2.gz SRXINPPTCOBOMW-XUVXKRRUSA-N 0 3 465.664 3.759 20 0 JHADHN CC(C)OCCN1CCC(NC(=O)NCc2cccc(NC(=O)c3cccc(F)c3)c2)CC1 ZINC001311634407 1069480920 /nfs/dbraw/zinc/48/09/20/1069480920.db2.gz SVGXDQLBMMFQQP-UHFFFAOYSA-N 0 3 456.562 3.767 20 0 JHADHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N2CCC(NC(=O)OCc3ccccc3)CC2)C1 ZINC001311714693 1069516044 /nfs/dbraw/zinc/51/60/44/1069516044.db2.gz SMZNSOWKUIHIQX-YKSBVNFPSA-N 0 3 450.583 3.922 20 0 JHADHN CCN(CC)[C@@H](CNC(=O)N1CCC(CCO)(CCO)CC1)c1ccc(C(F)(F)F)cc1 ZINC001311719377 1069517886 /nfs/dbraw/zinc/51/78/86/1069517886.db2.gz TVEHTJJJIUYHJF-FQEVSTJZSA-N 0 3 459.553 3.645 20 0 JHADHN CC[C@H]1Oc2cc([C@H](C)NC(=O)NCC(C)(C)N3CCc4ccccc4C3)ccc2NC1=O ZINC001311719872 1069518478 /nfs/dbraw/zinc/51/84/78/1069518478.db2.gz DQNBQVGXRABFLC-HTAPYJJXSA-N 0 3 450.583 3.993 20 0 JHADHN CC(C)(CNC(=O)N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)N1CCc2ccccc2C1 ZINC001311719932 1069518856 /nfs/dbraw/zinc/51/88/56/1069518856.db2.gz HAKAVOFVBADVKX-NRFANRHFSA-N 0 3 458.965 3.721 20 0 JHADHN C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)NC[C@H](c1cccc(F)c1)N1CCOCC1 ZINC001311760444 1069535950 /nfs/dbraw/zinc/53/59/50/1069535950.db2.gz COFSTDVUBQVWGK-SQJMNOBHSA-N 0 3 454.590 3.505 20 0 JHADHN COc1ccc(F)cc1CN1CCN(C(=O)NC[C@@H](c2ccc(C)cc2)N2CCCC2)CC1 ZINC001311767572 1069539144 /nfs/dbraw/zinc/53/91/44/1069539144.db2.gz WVEXSEJLGMJQQX-DEOSSOPVSA-N 0 3 454.590 3.807 20 0 JHADHN CCCCOCCn1c(-c2nn(C(C)C)c(=O)c3ccccc32)nnc1N1C[C@@H](C)N(CC)C[C@H]1C ZINC001306759022 1069557864 /nfs/dbraw/zinc/55/78/64/1069557864.db2.gz QEYXHXJKMFVKNQ-NHCUHLMSSA-N 0 3 495.672 3.972 20 0 JHADHN CCC[C@@H](NC(=O)N[C@@]1(C)CCN(Cc2ccccc2)C1)C(=O)N1CCc2sccc2C1 ZINC001311856518 1069582395 /nfs/dbraw/zinc/58/23/95/1069582395.db2.gz YINSDNHSSXYJLM-BWKNWUBXSA-N 0 3 454.640 3.765 20 0 JHADHN CCCN(CC)c1nnc(-c2ccc(Br)cc2)n1C[C@@H](C)N1CCN(CC)CC1 ZINC001306791715 1069597951 /nfs/dbraw/zinc/59/79/51/1069597951.db2.gz TTWMWYCEJMXMPD-GOSISDBHSA-N 0 3 463.468 3.970 20 0 JHADHN CCO[C@]1(c2nnc(N3CCS[C@H](C)[C@@H]3C)n2C[C@H](c2ccccc2)N(C)C)CCOC1 ZINC001314146099 1069599450 /nfs/dbraw/zinc/59/94/50/1069599450.db2.gz VFNFBTHXCWEMDI-YWQGAKJTSA-N 0 3 459.660 3.563 20 0 JHADHN C[C@H](CNC(=O)N1CCN(CC2CCOCC2)CC1)Sc1ccc(Br)cc1 ZINC001311890162 1069599640 /nfs/dbraw/zinc/59/96/40/1069599640.db2.gz ZWEQUSZWSUSWET-MRXNPFEDSA-N 0 3 456.450 3.684 20 0 JHADHN CCOC1(Cn2c(-c3ccccc3C)nnc2N2CCN(C(=O)CN(CC)CC)CC2)CCCC1 ZINC001314150071 1069609369 /nfs/dbraw/zinc/60/93/69/1069609369.db2.gz WSKHOFITCKODEM-UHFFFAOYSA-N 0 3 482.673 3.593 20 0 JHADHN CCOc1c(OC)cc(Cn2c([C@H]3CCCOC3)nnc2N2CCN(C(C)(C)C)CC2)cc1OC ZINC001314157029 1069630306 /nfs/dbraw/zinc/63/03/06/1069630306.db2.gz QLZWOBJKDQADSR-FQEVSTJZSA-N 0 3 487.645 3.557 20 0 JHADHN CCOc1c(OC)cc(Cn2c(-c3ccc[nH]3)nnc2N2C[C@H](C)N(CC)C[C@@H]2C)cc1OC ZINC001314158341 1069635277 /nfs/dbraw/zinc/63/52/77/1069635277.db2.gz VWZFVHHYFHRRCF-ROUUACIJSA-N 0 3 468.602 3.656 20 0 JHADHN CCCN(CC1CC1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](C)N1CCN(CC)CC1 ZINC001306816757 1069638876 /nfs/dbraw/zinc/63/88/76/1069638876.db2.gz LPJZHAQEQGSYCV-MDNUFGMLSA-N 0 3 460.711 3.849 20 0 JHADHN O=C(NCCN1CCC2(CCCCC2)CC1)c1ccc(N2CCCS2(=O)=O)cc1Cl ZINC001306831735 1069649082 /nfs/dbraw/zinc/64/90/82/1069649082.db2.gz WHJCFINLIMVOCR-UHFFFAOYSA-N 0 3 454.036 3.656 20 0 JHADHN COC(=O)[C@@H]1CN(C(=O)N[C@H](CN2CCCCC2)c2ccccc2)C[C@H]1c1ccc(O)cc1 ZINC001312013512 1069670277 /nfs/dbraw/zinc/67/02/77/1069670277.db2.gz UTWJYCSRJFVRFP-RBZQAINGSA-N 0 3 451.567 3.517 20 0 JHADHN CCOc1ccc(-c2nnc(N3C[C@@H](C)N(CC)C[C@@H]3C)n2CC2=CCCOC2)cc1OC ZINC001314169637 1069677379 /nfs/dbraw/zinc/67/73/79/1069677379.db2.gz WJIJKRFKTLSFLX-MOPGFXCFSA-N 0 3 455.603 3.618 20 0 JHADHN CCOc1ccc(-c2nnc(N3CCC(C)CC3)n2C[C@@H](C)N2CCN(CC)CC2)cc1OC ZINC001314170661 1069681659 /nfs/dbraw/zinc/68/16/59/1069681659.db2.gz RGILQXUXZRETQJ-OAQYLSRUSA-N 0 3 470.662 3.615 20 0 JHADHN C[C@H](c1ccc(F)cc1)N1CCC[C@H](NC(=O)NC[C@@H]2CCCN2Cc2ccccc2)C1=O ZINC001312027049 1069681787 /nfs/dbraw/zinc/68/17/87/1069681787.db2.gz XHEWDANAAWTXBK-YGOYIFOWSA-N 0 3 452.574 3.842 20 0 JHADHN CCOc1ccc(-c2nnc(N3CCN(C4CCCC4)CC3)n2CCNC(=O)C(C)(C)C)cc1OC ZINC001314173968 1069695468 /nfs/dbraw/zinc/69/54/68/1069695468.db2.gz AUEVAAQMHBMWPQ-UHFFFAOYSA-N 0 3 498.672 3.579 20 0 JHADHN CCOc1ccc(-c2nnc(N3CCN(CC(C)C)CC3)n2C[C@H]2CCCOC2)cc1OC ZINC001314176491 1069706858 /nfs/dbraw/zinc/70/68/58/1069706858.db2.gz LTXZWJLMRXTFPC-HXUWFJFHSA-N 0 3 457.619 3.557 20 0 JHADHN CCOc1ccc(-c2nnc(N3CCC[C@@H]3CSC)n2CCN2CC=CCC2)cc1OC ZINC001314177675 1069711819 /nfs/dbraw/zinc/71/18/19/1069711819.db2.gz VNKZJSPGQYUEGA-HXUWFJFHSA-N 0 3 457.644 3.946 20 0 JHADHN CCOc1ccc([C@@H]2CCCN2c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCN(CC)C(C)C)cc1 ZINC001314179984 1069721403 /nfs/dbraw/zinc/72/14/03/1069721403.db2.gz ASJKTRFIDMOOGU-GGAORHGYSA-N 0 3 489.686 3.651 20 0 JHADHN Cc1ccc([C@@H]2OCCC[C@H]2CNC(=O)NCC2(O)CCN(Cc3ccccc3)CC2)cc1 ZINC001312107583 1069723836 /nfs/dbraw/zinc/72/38/36/1069723836.db2.gz QOZBHTHOIAPHTK-DQEYMECFSA-N 0 3 451.611 3.789 20 0 JHADHN Cc1ccc([C@H]2OCCC[C@H]2CNC(=O)NCC2(O)CCN(Cc3ccccc3)CC2)cc1 ZINC001312107585 1069723931 /nfs/dbraw/zinc/72/39/31/1069723931.db2.gz QOZBHTHOIAPHTK-LOSJGSFVSA-N 0 3 451.611 3.789 20 0 JHADHN O=C(NCc1csc(-c2ccc(C(F)(F)F)cc2)n1)NC1CCN([C@@H]2CCOC2)CC1 ZINC001312119170 1069730971 /nfs/dbraw/zinc/73/09/71/1069730971.db2.gz TZJXMYJPLPJMOC-GOSISDBHSA-N 0 3 454.518 3.881 20 0 JHADHN CCOc1ccc(CN(C)c2nnc(C(=O)N3CCCC3)n2C[C@@H]2N(C)CCCC2(C)C)cc1 ZINC001314184650 1069735983 /nfs/dbraw/zinc/73/59/83/1069735983.db2.gz XKHVCISRJNZKSG-QFIPXVFZSA-N 0 3 468.646 3.670 20 0 JHADHN CCOc1ccc(O[C@H](C)c2nnc(N3C[C@H](C)N(CC)C[C@@H]3C)n2C[C@](C)(O)C2CC2)cc1 ZINC001314192021 1069754883 /nfs/dbraw/zinc/75/48/83/1069754883.db2.gz RQWUGKJVLWLAAM-FDTRYVBHSA-N 0 3 471.646 3.897 20 0 JHADHN CCCN1CC[C@H](Cn2c(Cc3ccc(Cl)cc3)nnc2N(C)[C@H](C)[C@H](C)S(C)(=O)=O)C1 ZINC001307039187 1069763668 /nfs/dbraw/zinc/76/36/68/1069763668.db2.gz SFCHODHMOSYEMZ-HBFSDRIKSA-N 0 3 482.094 3.512 20 0 JHADHN CCCN1CC[C@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2cccc(C(F)(F)F)c2)C1 ZINC001307043386 1069774196 /nfs/dbraw/zinc/77/41/96/1069774196.db2.gz JWCFFYHYMQYMPZ-OALUTQOASA-N 0 3 499.603 3.567 20 0 JHADHN O=C(NCCc1c(F)cccc1Cl)N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC001312212499 1069785362 /nfs/dbraw/zinc/78/53/62/1069785362.db2.gz GSILSDFWHHZAFC-IBGZPJMESA-N 0 3 459.997 3.660 20 0 JHADHN CCOc1ccc(O[C@@H](C)c2nnc(N3CCC(F)(F)C3)n2C[C@H](C)N2CCN(CC)CC2)cc1 ZINC001314199033 1069786525 /nfs/dbraw/zinc/78/65/25/1069786525.db2.gz RADFVFWYFHTEFI-PMACEKPBSA-N 0 3 492.615 3.688 20 0 JHADHN O=C(NCCc1nc2cc(Cl)ccc2s1)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC001312226681 1069793130 /nfs/dbraw/zinc/79/31/30/1069793130.db2.gz LJDCMACWKIDHKH-MJGOQNOKSA-N 0 3 459.015 3.674 20 0 JHADHN CC[C@H](C)N[C@H](CNC(=O)NC[C@H]1[C@@H](C)OC(C)(C)N1C(=O)OC(C)(C)C)c1ccco1 ZINC001312269318 1069826253 /nfs/dbraw/zinc/82/62/53/1069826253.db2.gz CSUIGVPNAXGPIX-MLHJIOFPSA-N 0 3 452.596 3.769 20 0 JHADHN CCOc1ccccc1OCc1nnc(N2CCN(CC(C)C)CC2)n1C[C@H]1OCCC1(C)C ZINC001314224836 1069887729 /nfs/dbraw/zinc/88/77/29/1069887729.db2.gz HNHXUXOMBCVWCG-HSZRJFAPSA-N 0 3 471.646 3.849 20 0 JHADHN CCN(C(=O)N[C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001312391143 1069904181 /nfs/dbraw/zinc/90/41/81/1069904181.db2.gz GHZSFSZASUQQKE-DENIHFKCSA-N 0 3 458.965 3.890 20 0 JHADHN CCO[C@@H]1C[C@@H](N(C)c2nnc(-c3ccc(OC)cc3)n2C[C@@H](C)N2CCN(CC)CC2)C1(C)C ZINC001314242615 1069948839 /nfs/dbraw/zinc/94/88/39/1069948839.db2.gz HZUHXQYUOVTDOZ-AGILITTLSA-N 0 3 484.689 3.620 20 0 JHADHN O=C(NC[C@H]1CN(Cc2ccccc2)CCCO1)N1CCC([C@H](O)c2ccc(F)cc2)CC1 ZINC001312501736 1069977298 /nfs/dbraw/zinc/97/72/98/1069977298.db2.gz YHVZQTOXPMLLED-LOSJGSFVSA-N 0 3 455.574 3.572 20 0 JHADHN CCO[C@@H]1C[C@H](N(C)c2nnc(CC(C)(C)C)n2C[C@H](C)CN2CCN(CC)CC2)C1(C)C ZINC001314255354 1069990031 /nfs/dbraw/zinc/99/00/31/1069990031.db2.gz UWEIFHCZYAFRLT-BHIFYINESA-N 0 3 462.727 3.780 20 0 JHADHN COCCN(CCC(=O)Nc1ccc(Br)cc1F)Cc1ccc2c(c1)OCO2 ZINC001307471283 1070004924 /nfs/dbraw/zinc/00/49/24/1070004924.db2.gz IDIUQXSVPDQNBL-UHFFFAOYSA-N 0 3 453.308 3.794 20 0 JHADHN CCN1CCN(c2ccc(NC(=O)CN3CCC[C@@H](C(=O)c4ccc(F)cc4)C3)cc2)CC1 ZINC001307486379 1070012403 /nfs/dbraw/zinc/01/24/03/1070012403.db2.gz GXDGUABQIRVYJT-OAQYLSRUSA-N 0 3 452.574 3.501 20 0 JHADHN CCO[C@H]1C[C@H](N(C)CC(=O)N2CCN(c3cc(C)nc(C(C)C)n3)CC2)C12CCCCC2 ZINC001307503353 1070021657 /nfs/dbraw/zinc/02/16/57/1070021657.db2.gz MTAXRYVVZQETLH-VXKWHMMOSA-N 0 3 457.663 3.617 20 0 JHADHN CN(C)C[C@@H](NC(=O)NCc1cc(Cl)ccc1N1CCOCC1)c1ccc(Cl)cc1 ZINC001312596187 1070036280 /nfs/dbraw/zinc/03/62/80/1070036280.db2.gz XIHXCGPCSDWFFX-HXUWFJFHSA-N 0 3 451.398 3.932 20 0 JHADHN COc1ccc2cc(CN(C)C(=O)[C@H](C)N3CCC[C@H]3C[C@H](O)c3cnn(C)c3)ccc2c1 ZINC001307587046 1070065851 /nfs/dbraw/zinc/06/58/51/1070065851.db2.gz JAQDQEVCCKOYRR-WYRQLCSISA-N 0 3 450.583 3.517 20 0 JHADHN C[C@@H]1CN(CC(=O)N[C@@H](c2ccccc2)c2ccc3[nH]c(C(F)(F)F)nc3c2)[C@H](C)CN1C ZINC001307590870 1070069891 /nfs/dbraw/zinc/06/98/91/1070069891.db2.gz YGRZUWMVHLGIBA-MCFFVMPBSA-N 0 3 459.516 3.812 20 0 JHADHN C[C@@H]1CN(CC(=O)N[C@@H](c2ccccc2)c2ccc3nc(C(F)(F)F)[nH]c3c2)[C@H](C)CN1C ZINC001307590870 1070069903 /nfs/dbraw/zinc/06/99/03/1070069903.db2.gz YGRZUWMVHLGIBA-MCFFVMPBSA-N 0 3 459.516 3.812 20 0 JHADHN C[C@H](NC(=O)N1CCCCC[C@@H]1c1noc(-c2cnn(C)c2)n1)[C@@H](c1ccccc1)N(C)C ZINC001312658066 1070067086 /nfs/dbraw/zinc/06/70/86/1070067086.db2.gz CBUFTNZQVPGAEX-WMQCIHAUSA-N 0 3 451.575 3.788 20 0 JHADHN CCOCc1ccccc1Cn1c([C@H](C)CC)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 ZINC001314294389 1070077314 /nfs/dbraw/zinc/07/73/14/1070077314.db2.gz BFHMIGAJXVGQLN-DRLORSAXSA-N 0 3 496.700 3.755 20 0 JHADHN Cc1ccccc1[C@H](CC(C)C)NCC(=O)NN1C(=O)N[C@@](C)(CCc2ccccc2)C1=O ZINC001307635407 1070094004 /nfs/dbraw/zinc/09/40/04/1070094004.db2.gz TTYXQEXIFHPFLK-NVQXNPDNSA-N 0 3 450.583 3.646 20 0 JHADHN Cc1ccccc1[C@@H](CC(C)C)NCC(=O)NN1C(=O)N[C@@](C)(CCc2ccccc2)C1=O ZINC001307635406 1070092906 /nfs/dbraw/zinc/09/29/06/1070092906.db2.gz TTYXQEXIFHPFLK-GJZUVCINSA-N 0 3 450.583 3.646 20 0 JHADHN CC(=O)Nc1ccc(CN2CCC(NC(=O)N3CC[C@H](Cc4nc(C)cs4)C3)CC2)cc1 ZINC001312718119 1070092967 /nfs/dbraw/zinc/09/29/67/1070092967.db2.gz CAHALCZPGWCLBJ-HXUWFJFHSA-N 0 3 455.628 3.649 20 0 JHADHN COc1ccc(NC(=O)CN[C@@H](CC2CCCC2)c2ccccc2)cc1S(=O)(=O)N(C)C ZINC001307634897 1070093137 /nfs/dbraw/zinc/09/31/37/1070093137.db2.gz MFVYHQBTVJHENR-NRFANRHFSA-N 0 3 459.612 3.795 20 0 JHADHN CCN(CC(=O)N1CCC[C@@H]1c1ccc(OC)c(OC)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001307656713 1070106307 /nfs/dbraw/zinc/10/63/07/1070106307.db2.gz FTZVAWZIEPEJBP-BJKOFHAPSA-N 0 3 451.611 3.964 20 0 JHADHN C[C@@H](c1ccc(F)cc1)N1CCC[C@@H](NC(=O)N(CCN(C)C)Cc2ccc(F)cc2)C1=O ZINC001312758009 1070107610 /nfs/dbraw/zinc/10/76/10/1070107610.db2.gz RCWWTEUXJBGHJM-FDDCHVKYSA-N 0 3 458.553 3.790 20 0 JHADHN Cc1cccc(CN(CCN(C)C)C(=O)N[C@@H]2CCCN([C@H](C)c3ccc(F)cc3)C2=O)c1 ZINC001312758295 1070107666 /nfs/dbraw/zinc/10/76/66/1070107666.db2.gz UQXWDXKNUCLDNU-HYBUGGRVSA-N 0 3 454.590 3.960 20 0 JHADHN C[C@H](c1ccc(F)cc1)N1CCC[C@@H](NC(=O)N(CCN(C)C)Cc2ccc(F)cc2)C1=O ZINC001312758012 1070107854 /nfs/dbraw/zinc/10/78/54/1070107854.db2.gz RCWWTEUXJBGHJM-WZONZLPQSA-N 0 3 458.553 3.790 20 0 JHADHN CCCN(C(=O)N[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001312782041 1070118454 /nfs/dbraw/zinc/11/84/54/1070118454.db2.gz KBBGFDQRVQKNHV-MYDTUXCISA-N 0 3 456.631 3.938 20 0 JHADHN COc1ccccc1C(=O)c1c(NC(=O)CN[C@H]2CCC[C@@H]2CCO)sc2c1CCCC2 ZINC001307684650 1070124587 /nfs/dbraw/zinc/12/45/87/1070124587.db2.gz UDNCGAKAQQNGNL-APWZRJJASA-N 0 3 456.608 3.946 20 0 JHADHN COC(=O)CN(Cc1ccc(C(F)(F)F)cc1)C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC001307702113 1070135130 /nfs/dbraw/zinc/13/51/30/1070135130.db2.gz GAQYAVBBVNMMDA-QFIPXVFZSA-N 0 3 450.501 3.972 20 0 JHADHN COC(=O)c1ccc(CN(C)[C@H](C)c2cccc(N3CCCS3(=O)=O)c2)c2ncccc12 ZINC001307712870 1070140730 /nfs/dbraw/zinc/14/07/30/1070140730.db2.gz LDLYDOLRUYOEND-QGZVFWFLSA-N 0 3 453.564 3.754 20 0 JHADHN Cc1cc(C(=O)N2CCN(C(=O)NC[C@H](c3ccc(CC(C)C)cc3)N(C)C)CC2)c(C)o1 ZINC001312818850 1070140792 /nfs/dbraw/zinc/14/07/92/1070140792.db2.gz POLUGODIRKRMDL-XMMPIXPASA-N 0 3 454.615 3.865 20 0 JHADHN COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@@H](C)N2CCC(=O)Nc2ccc(OCc3ccccc3)cc2)O1 ZINC001307719914 1070145294 /nfs/dbraw/zinc/14/52/94/1070145294.db2.gz QVBSFTDWGSBXOS-LKDDOFHYSA-N 0 3 452.551 3.778 20 0 JHADHN CCOCc1ccc(CNC(=O)CN[C@@]2(Cc3ccc(C(F)(F)F)cc3)CCOC2)cc1 ZINC001307748701 1070164068 /nfs/dbraw/zinc/16/40/68/1070164068.db2.gz PAWIECOZCINJHI-HSZRJFAPSA-N 0 3 450.501 3.850 20 0 JHADHN CC(C)(C)OC(=O)N1CCN(CCN2CCC(O)(c3ccccc3C(F)(F)F)CC2)CC1 ZINC001307744213 1070162238 /nfs/dbraw/zinc/16/22/38/1070162238.db2.gz ITZAIKIJGKKXBX-UHFFFAOYSA-N 0 3 457.537 3.542 20 0 JHADHN CCOc1cc(NC(=O)c2ccccc2)c(OCC)cc1NC(=O)CN[C@@H]1CCOC1(C)C ZINC001307779014 1070179438 /nfs/dbraw/zinc/17/94/38/1070179438.db2.gz NIFIPFLCSJVXAR-JOCHJYFZSA-N 0 3 455.555 3.832 20 0 JHADHN C[C@@H]1CN(C(=O)CN(Cc2ccncc2)[C@H]2CCCN(Cc3ccccc3)C2)CC(C)(C)O1 ZINC001307796732 1070186230 /nfs/dbraw/zinc/18/62/30/1070186230.db2.gz QCTPUTRZFTWXRN-RDGATRHJSA-N 0 3 450.627 3.574 20 0 JHADHN CC(C)(C)OC(=O)NCc1cn([C@H]2CCCN(CCOc3ccc(F)c(Cl)c3)C2)nn1 ZINC001307818549 1070198588 /nfs/dbraw/zinc/19/85/88/1070198588.db2.gz HTGTWNJLWWAWRR-INIZCTEOSA-N 0 3 453.946 3.811 20 0 JHADHN C[C@@H](C(=O)NC(=O)NCc1ccccc1)N1CCC2(CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001307827710 1070202638 /nfs/dbraw/zinc/20/26/38/1070202638.db2.gz UGUHXFDFFJQLOL-IBGZPJMESA-N 0 3 458.603 3.514 20 0 JHADHN CCC[C@@H]1CN(C(=O)OC(C)(C)C)CCN1C(=O)NCC1CCN(Cc2ccncc2)CC1 ZINC001312972413 1070205183 /nfs/dbraw/zinc/20/51/83/1070205183.db2.gz WYWXEBRCHYCOAG-JOCHJYFZSA-N 0 3 459.635 3.725 20 0 JHADHN CCOCc1nnc(N2CCC[C@H](OCC(F)(F)F)C2)n1C[C@@H](c1cccs1)N(C)C ZINC001314372278 1070208959 /nfs/dbraw/zinc/20/89/59/1070208959.db2.gz OZOJGBJMXNMTLV-HOTGVXAUSA-N 0 3 461.554 3.727 20 0 JHADHN CCOCc1nnc(N2CCC[C@H](Oc3ncccc3F)C2)n1C[C@@H](c1ccccc1)N(C)C ZINC001314372732 1070209772 /nfs/dbraw/zinc/20/97/72/1070209772.db2.gz ZNTAXBVPYDSHAO-UNMCSNQZSA-N 0 3 468.577 3.699 20 0 JHADHN CCOCc1nnc(N2CCCN(CC(F)(F)F)CC2)n1CC(C)(C)N1CCc2ccccc2C1 ZINC001314377183 1070218101 /nfs/dbraw/zinc/21/81/01/1070218101.db2.gz BQDRTXBTIWWWHB-UHFFFAOYSA-N 0 3 494.606 3.726 20 0 JHADHN Cc1cc(C)c(NC(=O)CNC(=O)CN2C[C@H](C)N(Cc3ccccc3)[C@@H](C)[C@H]2C)c(C)c1 ZINC001307893088 1070228217 /nfs/dbraw/zinc/22/82/17/1070228217.db2.gz FXXDRXPMQFYEPB-ZRBLBEILSA-N 0 3 450.627 3.650 20 0 JHADHN Cc1cc(CN(C[C@H](O)Cc2ccc(C(F)(F)F)cc2)C2CC2)cc(S(N)(=O)=O)c1C ZINC001307894642 1070229396 /nfs/dbraw/zinc/22/93/96/1070229396.db2.gz KWPDFHIBLAOUCV-HXUWFJFHSA-N 0 3 456.530 3.538 20 0 JHADHN NC(=O)c1c(NC(=O)CCN[C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)sc2c1CCCC2 ZINC001307939855 1070250952 /nfs/dbraw/zinc/25/09/52/1070250952.db2.gz VPDFEBGJXCWZLB-AUUYWEPGSA-N 0 3 467.513 3.579 20 0 JHADHN CCOCc1nnc(N2CCN(C3CCOCC3)C[C@@H]2C)n1C[C@H](OC)c1ccc(Cl)cc1 ZINC001314393925 1070251580 /nfs/dbraw/zinc/25/15/80/1070251580.db2.gz KDWXQMKXXRWOKC-AVRDEDQJSA-N 0 3 478.037 3.545 20 0 JHADHN C[C@H](C(=O)N1CCc2sccc2C1)N1CCC([C@H]2CCCN(C(=O)C(F)(F)F)C2)CC1 ZINC001307942433 1070252892 /nfs/dbraw/zinc/25/28/92/1070252892.db2.gz WFZJSRZNKLLVLI-WBVHZDCISA-N 0 3 457.562 3.534 20 0 JHADHN CCOCc1nnc(N2CCN(Cc3cccs3)CC2)n1C[C@@H](c1cccs1)N(C)C ZINC001314396676 1070255717 /nfs/dbraw/zinc/25/57/17/1070255717.db2.gz MRCSSUDGCFJFOI-IBGZPJMESA-N 0 3 460.673 3.563 20 0 JHADHN CCOCc1nnc(N2CCN(Cc3cccs3)CC2)n1C[C@H](c1cccs1)N(C)C ZINC001314396678 1070255814 /nfs/dbraw/zinc/25/58/14/1070255814.db2.gz MRCSSUDGCFJFOI-LJQANCHMSA-N 0 3 460.673 3.563 20 0 JHADHN CN(C)C[C@H](NC(=O)N[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O)c1ccc(F)cc1 ZINC001313140359 1070266666 /nfs/dbraw/zinc/26/66/66/1070266666.db2.gz URKKEGRILNROSS-OALUTQOASA-N 0 3 452.452 3.552 20 0 JHADHN CCOCc1nnc(N2CCO[C@@H](Cc3ccccc3)C2)n1C[C@H](c1cccs1)N(C)C ZINC001314409190 1070273978 /nfs/dbraw/zinc/27/39/78/1070273978.db2.gz NONCVHHQIHWMIV-LEWJYISDSA-N 0 3 455.628 3.627 20 0 JHADHN CCOCCN(CC(=O)Nc1ccc(N2CCN(CC)CC2)cc1)[C@@H]1CCc2ccccc21 ZINC001307998065 1070274726 /nfs/dbraw/zinc/27/47/26/1070274726.db2.gz XUOJFBWVBSICDR-AREMUKBSSA-N 0 3 450.627 3.793 20 0 JHADHN CCOCCN(CC(=O)Nc1ccc(N2CCN(CC)CC2)cc1)[C@H]1CCc2ccccc21 ZINC001307998066 1070275244 /nfs/dbraw/zinc/27/52/44/1070275244.db2.gz XUOJFBWVBSICDR-SANMLTNESA-N 0 3 450.627 3.793 20 0 JHADHN CC(C)(C)OC(=O)N1CCC[C@](O)(CN2CCN(Cc3cccc4cccnc43)CC2)CC1 ZINC001308004763 1070276756 /nfs/dbraw/zinc/27/67/56/1070276756.db2.gz YLPIFETZKWNUPW-AREMUKBSSA-N 0 3 454.615 3.505 20 0 JHADHN CCOC[C@H]1CCCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCN2CCC[C@H]2C)C1 ZINC001314420766 1070292451 /nfs/dbraw/zinc/29/24/51/1070292451.db2.gz WOOBIBWYJDUGOK-CTNGQTDRSA-N 0 3 489.064 3.599 20 0 JHADHN CCOC[C@@H]1CCCN(c2nnc(C(=O)NC(CC)CC)n2C[C@@H]2N(C)CCCC2(C)C)C1 ZINC001314420761 1070291280 /nfs/dbraw/zinc/29/12/80/1070291280.db2.gz WNWDQAHGCXWOAI-CTNGQTDRSA-N 0 3 462.683 3.570 20 0 JHADHN CCOC[C@@H]1CCCN(c2nnc(-c3cccnc3)n2C[C@H](c2cccc(OC)c2)N(C)C)C1 ZINC001314421835 1070295060 /nfs/dbraw/zinc/29/50/60/1070295060.db2.gz QPVYQIXNPVWFNT-HYBUGGRVSA-N 0 3 464.614 3.905 20 0 JHADHN CC(C)(C)OC(=O)NC[C@@H]1CN(CCC(=O)Nc2cc(F)cc(F)c2)C[C@H]1C(F)(F)F ZINC001308058141 1070296256 /nfs/dbraw/zinc/29/62/56/1070296256.db2.gz BNQZWVUDVASFKH-MLGOLLRUSA-N 0 3 451.436 3.928 20 0 JHADHN COC(=O)C1CC2(C1)CN(Cc1ccccc1OCC(F)(F)F)C[C@@H]2C(=O)OC(C)(C)C ZINC001308063733 1070298429 /nfs/dbraw/zinc/29/84/29/1070298429.db2.gz BXEFETSWCJQAFY-PSCUFVCCSA-N 0 3 457.489 3.971 20 0 JHADHN CCOC[C@@H]1CCCN(c2nnc(-c3cccnc3)n2CCN(C)Cc2ccc(F)cc2)C1 ZINC001314423672 1070298607 /nfs/dbraw/zinc/29/86/07/1070298607.db2.gz ZPBMOQROWOUKTD-OAQYLSRUSA-N 0 3 452.578 3.864 20 0 JHADHN COC(=O)C1CC2(C1)CN(C[C@H](O)c1ccc(C(F)(F)F)cc1)C[C@@H]2C(=O)OC(C)(C)C ZINC001308066756 1070300974 /nfs/dbraw/zinc/30/09/74/1070300974.db2.gz XLFARBVWSLAAAX-PBCYYAKHSA-N 0 3 457.489 3.582 20 0 JHADHN COC(=O)[C@@]12C[C@@H](NC(=O)OC(C)(C)C)C[C@@H]1CN(C[C@H](O)c1ccc(Cl)cc1Cl)C2 ZINC001308078215 1070305607 /nfs/dbraw/zinc/30/56/07/1070305607.db2.gz QFENQMVMTIREOI-XOUXVVBOSA-N 0 3 473.397 3.805 20 0 JHADHN CCN(CC(=O)NCc1ccc(OC(F)(F)F)cc1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001308159085 1070332967 /nfs/dbraw/zinc/33/29/67/1070332967.db2.gz VYYQWRUVCWZXGU-UHFFFAOYSA-N 0 3 459.509 3.923 20 0 JHADHN COc1cc([C@H](C)NCCC(=O)Nc2cccc(Br)c2)ccc1S(C)(=O)=O ZINC001308166663 1070334077 /nfs/dbraw/zinc/33/40/77/1070334077.db2.gz BJSPUDKHDQVSKL-ZDUSSCGKSA-N 0 3 455.374 3.541 20 0 JHADHN COc1ccc([C@@H](C)NC(=O)N2CCC[C@H](CN3CCN(c4ccccn4)CC3)C2)cc1C ZINC001313358432 1070336804 /nfs/dbraw/zinc/33/68/04/1070336804.db2.gz IUENKLUYYUZOEZ-FGZHOGPDSA-N 0 3 451.615 3.703 20 0 JHADHN CC(C)(C)OC(=O)N1CC[C@@]2(NCC(=O)NCCOc3ccc(C(F)(F)F)cc3)CCC[C@@H]12 ZINC001308178231 1070337900 /nfs/dbraw/zinc/33/79/00/1070337900.db2.gz RMZIMCRTJBXQDC-GCJKJVERSA-N 0 3 471.520 3.722 20 0 JHADHN C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)N[C@H](c2nccn2C)c2ccc(F)c(F)c2)C1 ZINC001313413189 1070351792 /nfs/dbraw/zinc/35/17/92/1070351792.db2.gz DPPWUWSMRZFLJM-JPYJTQIMSA-N 0 3 453.537 3.951 20 0 JHADHN COCCC(=O)N1CCC(NCc2c(C)nn(-c3cccc(C(F)(F)F)c3)c2Cl)CC1 ZINC001308326321 1070357234 /nfs/dbraw/zinc/35/72/34/1070357234.db2.gz CROHMEPLXGPYMH-UHFFFAOYSA-N 0 3 458.912 3.970 20 0 JHADHN COC(=O)CS(=O)(=O)Cc1ccc(CNCc2cccc(Oc3ccc(F)cc3)c2)cc1 ZINC001308326900 1070357496 /nfs/dbraw/zinc/35/74/96/1070357496.db2.gz BZEIVLJPDLQCEI-UHFFFAOYSA-N 0 3 457.523 3.996 20 0 JHADHN Cc1ccc2nc(-c3ccc(F)cc3)c(CNCCN(C)S(=O)(=O)c3cccs3)n2c1 ZINC001308336950 1070358897 /nfs/dbraw/zinc/35/88/97/1070358897.db2.gz GRNRTADJUAMCAJ-UHFFFAOYSA-N 0 3 458.584 3.921 20 0 JHADHN CC(C)(C)OC(=O)N1CC[C@H](c2ccc(F)cc2)[C@H](CNCc2cn(C[C@H]3CCOC3)nn2)C1 ZINC001308412120 1070372053 /nfs/dbraw/zinc/37/20/53/1070372053.db2.gz PJFXWIPNTWTZJQ-KKLQWCBXSA-N 0 3 473.593 3.584 20 0 JHADHN CCCN1CCC[C@H]1Cn1c(-c2ccc(Cl)cc2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 ZINC001313448860 1070372480 /nfs/dbraw/zinc/37/24/80/1070372480.db2.gz SJYAMKPRGPZOTL-LEWJYISDSA-N 0 3 480.078 3.876 20 0 JHADHN CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1NCc1cnnn1[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001308442860 1070375856 /nfs/dbraw/zinc/37/58/56/1070375856.db2.gz YGDGRDBRTSLDLF-DFQSSKMNSA-N 0 3 478.638 3.776 20 0 JHADHN Cn1cc(CN[C@@H]2CCCCN(CC(=O)OC(C)(C)C)C2=O)c(-c2cc3ccccc3o2)n1 ZINC001308498344 1070381747 /nfs/dbraw/zinc/38/17/47/1070381747.db2.gz TYPIJSPGFACHBF-LJQANCHMSA-N 0 3 452.555 3.646 20 0 JHADHN 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CCN1C[C@H](C)N(c2nnc(COc3cccc(C)c3)n2C[C@@H]2CCN(CC(F)(F)F)C2)C[C@H]1C ZINC001313873791 1071426459 /nfs/dbraw/zinc/42/64/59/1071426459.db2.gz DJAYWDDWULSZKR-QHAWAJNXSA-N 0 3 494.606 3.969 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(Cc3ccccn3)n2C[C@H](C)CN(C)C(=O)OC(C)(C)C)C[C@H]1C ZINC001313874376 1071428732 /nfs/dbraw/zinc/42/87/32/1071428732.db2.gz NQZJEVAQUZBYRH-NJYVYQBISA-N 0 3 485.677 3.686 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(Cc3c(F)cccc3F)n2CCCn2ccnc2C)C[C@H]1C ZINC001313874414 1071428815 /nfs/dbraw/zinc/42/88/15/1071428815.db2.gz NVGCSYNDNLJVIX-QZTJIDSGSA-N 0 3 457.573 3.661 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(Cn3nc(C)cc3C)n2Cc2nc(C(C)C)cs2)C[C@@H]1C ZINC001313877049 1071440048 /nfs/dbraw/zinc/44/00/48/1071440048.db2.gz QXMSOHNMXQAINA-OALUTQOASA-N 0 3 456.664 3.687 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(CNC(=O)c3cccs3)n2CCc2ccc(F)cc2)C[C@@H]1C ZINC001313876969 1071440090 /nfs/dbraw/zinc/44/00/90/1071440090.db2.gz PSSXOEIMWZCARD-ROUUACIJSA-N 0 3 470.618 3.570 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(COc3ccc(C)c(C)c3)n2CCn2cc(Cl)cn2)C[C@H]1C ZINC001313877017 1071440111 /nfs/dbraw/zinc/44/01/11/1071440111.db2.gz QFPPABMIZZKHTN-UXHICEINSA-N 0 3 472.037 3.943 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(COc3ccc(C)c(C)c3)n2CCNC(=O)OC(C)(C)C)C[C@H]1C ZINC001313876511 1071438261 /nfs/dbraw/zinc/43/82/61/1071438261.db2.gz PBRVDGLJCIHKKR-NHCUHLMSSA-N 0 3 486.661 3.918 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3ccccn3)n2Cc2cc(COC(C)(C)C)on2)C[C@H]1C ZINC001313876671 1071439156 /nfs/dbraw/zinc/43/91/56/1071439156.db2.gz VKOYANVHZYLSJZ-MSOLQXFVSA-N 0 3 453.591 3.610 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3ccccn3)n2CCc2c(OC)cc(OC)cc2OC)C[C@H]1C ZINC001313877346 1071441638 /nfs/dbraw/zinc/44/16/38/1071441638.db2.gz XDHVMXBMVSAGAI-MOPGFXCFSA-N 0 3 480.613 3.528 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CC(C)(C)C(=O)NC)C[C@H]1C ZINC001313877580 1071442502 /nfs/dbraw/zinc/44/25/02/1071442502.db2.gz RHJJDFRHZJWQBI-UXHICEINSA-N 0 3 484.689 3.846 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(Cc3cccnc3)n2Cc2ccnc(OCC(F)(F)F)c2)C[C@H]1C ZINC001313878140 1071444004 /nfs/dbraw/zinc/44/40/04/1071444004.db2.gz VJKVCZDRFMGETE-MSOLQXFVSA-N 0 3 489.546 3.567 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(Cc3ccccn3)n2C[C@@H](NC(=O)OC(C)(C)C)C(C)C)C[C@H]1C ZINC001313878261 1071444594 /nfs/dbraw/zinc/44/45/94/1071444594.db2.gz WDIZOCUYKWCQIK-RZUBCFFCSA-N 0 3 485.677 3.732 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(Cc3ccccc3C)n2CCNC(=O)OC(C)(C)C)C[C@H]1C ZINC001313879241 1071448423 /nfs/dbraw/zinc/44/84/23/1071448423.db2.gz ZEKXZGNFVSTCDQ-WOJBJXKFSA-N 0 3 456.635 3.621 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(CSc3ccccc3OC)n2CCCc2cnn(C)c2)C[C@@H]1C ZINC001313882421 1071458489 /nfs/dbraw/zinc/45/84/89/1071458489.db2.gz FTIUQKKPKBUYIV-VQTJNVASSA-N 0 3 483.686 3.864 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(COc3ccccc3OC)n2C[C@@H]2CSCCS2)C[C@H]1C ZINC001313882696 1071458925 /nfs/dbraw/zinc/45/89/25/1071458925.db2.gz GFRGMSLXIOSNSX-CEXWTWQISA-N 0 3 477.700 3.633 20 0 JHADHN CCN1C[C@H](C)N(c2nnc([C@H]3CCCO3)n2C[C@@H]2[C@H](C)CCN2C(=O)OC(C)(C)C)C[C@H]1C ZINC001313883123 1071460504 /nfs/dbraw/zinc/46/05/04/1071460504.db2.gz IHOKTKXAIQKCMR-YMQHIKHWSA-N 0 3 476.666 3.694 20 0 JHADHN CCN1C[C@H](C)N(c2nnc([C@H]3CCCO3)n2C[C@@H]2[C@@H](C)CCN2C(=O)OC(C)(C)C)C[C@H]1C ZINC001313883121 1071460570 /nfs/dbraw/zinc/46/05/70/1071460570.db2.gz IHOKTKXAIQKCMR-QGLKVJOYSA-N 0 3 476.666 3.694 20 0 JHADHN CCN1C[C@H](C)N(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2Cc2occc2C)C[C@H]1C ZINC001313884527 1071464168 /nfs/dbraw/zinc/46/41/68/1071464168.db2.gz MHEPIUSPHPLXRI-WCIQWLHISA-N 0 3 472.634 3.917 20 0 JHADHN CCN1C[C@H](C)N(c2nnc([C@H]3CCCO3)n2Cc2ccc(I)cc2)C[C@H]1C ZINC001313885517 1071467190 /nfs/dbraw/zinc/46/71/90/1071467190.db2.gz PGBOHNDCLNSXQI-JTDSTZFVSA-N 0 3 495.409 3.701 20 0 JHADHN CCN1C[C@H](C)N(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCC2(O)CCC2)C[C@H]1C ZINC001313888649 1071477778 /nfs/dbraw/zinc/47/77/78/1071477778.db2.gz XDRLFDONJFIZDI-AABGKKOBSA-N 0 3 476.666 3.574 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc([C@H]3OCC[C@H]3COC)n2CCOC2CCCCCC2)C[C@@H]1C ZINC001313889408 1071479879 /nfs/dbraw/zinc/47/98/79/1071479879.db2.gz YBORVWUJEFAQKB-KGSLCBSSSA-N 0 3 463.667 3.660 20 0 JHADHN CNC(=O)c1ccc(CN(C)c2nnc(CC(C)C)n2C[C@@H](c2cccs2)N(C)C)cc1 ZINC001314980418 1071482056 /nfs/dbraw/zinc/48/20/56/1071482056.db2.gz UOVOYGYDZOHQBM-FQEVSTJZSA-N 0 3 454.644 3.837 20 0 JHADHN CCN1CCC[C@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCCC[C@@H](C)C1 ZINC001313898282 1071505221 /nfs/dbraw/zinc/50/52/21/1071505221.db2.gz PLEALDKTUDWHBJ-NQIIRXRSSA-N 0 3 459.038 3.972 20 0 JHADHN CCN1CCC[C@@H]1Cn1c(CCc2ccc(OC)cc2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 ZINC001313902514 1071514067 /nfs/dbraw/zinc/51/40/67/1071514067.db2.gz ZHPIFRCOGZLLOF-HXUWFJFHSA-N 0 3 493.574 3.904 20 0 JHADHN CCN1CCCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)Cc1cccc(C(F)(F)F)c1 ZINC001313906841 1071525867 /nfs/dbraw/zinc/52/58/67/1071525867.db2.gz SAEARAMCXSBWHB-IBGZPJMESA-N 0 3 466.552 3.946 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(-c3cccc(OC)c3)nnc2N2CC=C(C(F)(F)F)CC2)CC1 ZINC001313921001 1071560607 /nfs/dbraw/zinc/56/06/07/1071560607.db2.gz NJWDTUCTUGKSEJ-GOSISDBHSA-N 0 3 478.563 3.679 20 0 JHADHN CCN1CCN([C@H](C)Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2CCC=C(C)C2)CC1 ZINC001313922962 1071565742 /nfs/dbraw/zinc/56/57/42/1071565742.db2.gz ZAAHUMWSXJUNNU-RTWAWAEBSA-N 0 3 456.610 3.740 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(-c3ccccc3F)nnc2N2CCC[C@@H](OCC(F)(F)F)C2)CC1 ZINC001313924395 1071570219 /nfs/dbraw/zinc/57/02/19/1071570219.db2.gz DSSWZXGBFSSKLN-RTBURBONSA-N 0 3 498.569 3.658 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(C(C)C)nnc2N(C)[C@@H](C)c2cccc(N3CCOC3=O)c2)CC1 ZINC001313924073 1071569041 /nfs/dbraw/zinc/56/90/41/1071569041.db2.gz YDTLWZSSYHHSLQ-RTWAWAEBSA-N 0 3 483.661 3.582 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(-c3ccc(OC)cc3OC)nnc2N2CC[C@@H](C)C(C)(C)C2)CC1 ZINC001313925372 1071573385 /nfs/dbraw/zinc/57/33/85/1071573385.db2.gz PFBJDODXQAFUPB-NHCUHLMSSA-N 0 3 484.689 3.861 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(-c3ccc(OC)cc3OC)nnc2N2CC[C@@H](C)C(C)(C)C2)CC1 ZINC001313925373 1071573416 /nfs/dbraw/zinc/57/34/16/1071573416.db2.gz PFBJDODXQAFUPB-RTWAWAEBSA-N 0 3 484.689 3.861 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(-c3ccc(OC)cc3OC)nnc2N2CC[C@H](C)C(C)(C)C2)CC1 ZINC001313925371 1071573439 /nfs/dbraw/zinc/57/34/39/1071573439.db2.gz PFBJDODXQAFUPB-LEWJYISDSA-N 0 3 484.689 3.861 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(CC3CCCC3)nnc2N2CCC=C(Br)C2)CC1 ZINC001313926351 1071576315 /nfs/dbraw/zinc/57/63/15/1071576315.db2.gz FECSUFLJDNDUDS-GOSISDBHSA-N 0 3 465.484 3.526 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(-c3ccc(Cl)cc3F)nnc2N(C)Cc2cc(C)on2)CC1 ZINC001313926822 1071578105 /nfs/dbraw/zinc/57/81/05/1071578105.db2.gz YOSIDNOVBFUKMF-MRXNPFEDSA-N 0 3 476.000 3.696 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(COc3ccc(F)cc3)nnc2N2CCS[C@H](C(C)C)C2)CC1 ZINC001313926964 1071578146 /nfs/dbraw/zinc/57/81/46/1071578146.db2.gz GOUGLMFMUUUXPM-REWPJTCUSA-N 0 3 490.693 3.600 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(CC(C)(C)C)nnc2N2CCO[C@H](c3cccc(F)c3)C2)CC1 ZINC001313927185 1071579267 /nfs/dbraw/zinc/57/92/67/1071579267.db2.gz HLEGFJKPNJWCEK-OFNKIYASSA-N 0 3 472.653 3.610 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(CC(C)C)nnc2N2CCO[C@@H](c3ccc(Cl)cc3)C2)CC1 ZINC001313927618 1071580600 /nfs/dbraw/zinc/58/06/00/1071580600.db2.gz KSHJRSMNZIVUJK-NFBKMPQASA-N 0 3 475.081 3.734 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(COc3cc(C)ccc3C(C)C)nnc2N2CCCC2)CC1 ZINC001313927538 1071580685 /nfs/dbraw/zinc/58/06/85/1071580685.db2.gz LXGQFRWGASLNES-JOCHJYFZSA-N 0 3 454.663 3.915 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(COc3cc(C)cc(C)c3)nnc2N(C)Cc2ccccn2)CC1 ZINC001313929085 1071586056 /nfs/dbraw/zinc/58/60/56/1071586056.db2.gz XLLVMFWZFTUHND-HSZRJFAPSA-N 0 3 477.657 3.531 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(Cc3ccc(Cl)cc3)nnc2N(C)Cc2cnc(C)s2)CC1 ZINC001313930092 1071588059 /nfs/dbraw/zinc/58/80/59/1071588059.db2.gz VBECXUWHJOHEBT-GOSISDBHSA-N 0 3 488.105 3.950 20 0 JHADHN CCN1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCCCn2ccnc2C)C[C@@H]1C ZINC001313943468 1071622626 /nfs/dbraw/zinc/62/26/26/1071622626.db2.gz RYNDPMHUHANYJC-QFIPXVFZSA-N 0 3 465.646 3.990 20 0 JHADHN CCN1CCN([C@@H]2CCN(c3nnc(Cc4ccccc4OC)n3CC(C)(C)C(C)C)C2)CC1 ZINC001313947855 1071632967 /nfs/dbraw/zinc/63/29/67/1071632967.db2.gz CYGJKPFPLUSSOM-HSZRJFAPSA-N 0 3 468.690 3.776 20 0 JHADHN CCN1CCN([C@H]2CCN(c3nnc(Cc4csc(C)n4)n3C[C@@H](SC)C(C)(C)C)C2)CC1 ZINC001313950554 1071638892 /nfs/dbraw/zinc/63/88/92/1071638892.db2.gz VNVPZFHWMWOIBN-LEWJYISDSA-N 0 3 491.775 3.628 20 0 JHADHN CCN(CC)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@H](C)CN1CCN(CC)CC1 ZINC001313952011 1071643836 /nfs/dbraw/zinc/64/38/36/1071643836.db2.gz CLZZZPUCYKYHOR-OAQYLSRUSA-N 0 3 491.725 3.512 20 0 JHADHN CCN1CCN(C[C@@H](C)Cn2c(N3CCCO[C@H](c4ccccc4)C3)nnc2C(C)(C)C)CC1 ZINC001313952527 1071645766 /nfs/dbraw/zinc/64/57/66/1071645766.db2.gz RJRQOGDGHNKMQM-VWNXMTODSA-N 0 3 468.690 3.817 20 0 JHADHN CCN1CCN(C[C@H](C)Cn2c(COc3ccccc3OC)nnc2N2C[C@H](C)CC[C@@H]2C)CC1 ZINC001313952443 1071645779 /nfs/dbraw/zinc/64/57/79/1071645779.db2.gz QEDBXBJZVCWPCD-VJBWXMMDSA-N 0 3 484.689 3.764 20 0 JHADHN CCN1CCN(C[C@H](C)Cn2c([C@@H]3CCOC3)nnc2N(C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC001313955926 1071656861 /nfs/dbraw/zinc/65/68/61/1071656861.db2.gz WEKCRGUPQIFGNV-PZJWPPBQSA-N 0 3 494.606 3.711 20 0 JHADHN CCN1CCN(C[C@H](C)Cn2c(Cc3ccccc3C)nnc2N(C)Cc2ccoc2C)CC1 ZINC001313955056 1071654177 /nfs/dbraw/zinc/65/41/77/1071654177.db2.gz DWHRZPDXSSXEMY-NRFANRHFSA-N 0 3 464.658 3.989 20 0 JHADHN CCN1CCN(CCCn2c([C@@H]3CCCCO3)nnc2N(C)Cc2cc(F)c(F)c(F)c2)CC1 ZINC001313956155 1071657487 /nfs/dbraw/zinc/65/74/87/1071657487.db2.gz BJCNAKLOJRCAQS-NRFANRHFSA-N 0 3 480.579 3.601 20 0 JHADHN CCN1CCN(C[C@@H](C)Cn2c(CC(C)C)nnc2N2CCN(c3cccc(C)c3C)CC2)CC1 ZINC001313956862 1071658863 /nfs/dbraw/zinc/65/88/63/1071658863.db2.gz NZVGRRMIWWBOCP-HSZRJFAPSA-N 0 3 481.733 3.694 20 0 JHADHN CCN1CCN(C[C@@H](C)Cn2c(Cc3c(F)cccc3F)nnc2N2C[C@H](C)[C@H](C)C2)CC1 ZINC001313957935 1071661886 /nfs/dbraw/zinc/66/18/86/1071661886.db2.gz SKKQYDTUBHQTDX-AQNXPRMDSA-N 0 3 460.617 3.513 20 0 JHADHN CCN1CCN(C[C@H](C)Cn2c(Cc3csc(C)n3)nnc2N2CC[C@](C)(CC)C2)CC1 ZINC001313958469 1071664077 /nfs/dbraw/zinc/66/40/77/1071664077.db2.gz XCIKGDCSGURNBY-CYFREDJKSA-N 0 3 459.708 3.534 20 0 JHADHN CCN1CCN(C[C@@H](C)Cn2c(Cc3ccccn3)nnc2N(C)[C@@H](C)c2cccs2)CC1 ZINC001313958842 1071665069 /nfs/dbraw/zinc/66/50/69/1071665069.db2.gz YIHQRABJXGPRMC-RTWAWAEBSA-N 0 3 467.687 3.796 20 0 JHADHN CCN1CCN(CCCn2c([C@@H](C)Oc3ccccc3F)nnc2N2CCO[C@@](C)(CC)C2)CC1 ZINC001313961510 1071672877 /nfs/dbraw/zinc/67/28/77/1071672877.db2.gz UPOFIOPBFFVETF-RLWLMLJZSA-N 0 3 488.652 3.590 20 0 JHADHN CCOC(=O)N1CCN(c2nnc(-c3ccccc3OC)n2C[C@H](c2ccco2)N(CC)CC)CC1 ZINC001314023437 1071779143 /nfs/dbraw/zinc/77/91/43/1071779143.db2.gz UNYCXQBPDCQOEL-OAQYLSRUSA-N 0 3 496.612 3.908 20 0 JHADHN CCOC(=O)N1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H](c2ccsc2)N(CC)CC)CC1 ZINC001314024027 1071780871 /nfs/dbraw/zinc/78/08/71/1071780871.db2.gz ZYAKDKUOMZTELK-TZIWHRDSSA-N 0 3 490.674 3.595 20 0 JHADHN CCOC(=O)N[C@H]1CCCN(c2nnc(C3CC3)n2C[C@H](c2ccc(CC)cc2)N(C)C)C1 ZINC001314041020 1071842480 /nfs/dbraw/zinc/84/24/80/1071842480.db2.gz ZHFUOKVAJHFEIV-FCHUYYIVSA-N 0 3 454.619 3.736 20 0 JHADHN CCO[C@H](CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(C2CCCCC2)CC1)C(C)C ZINC001314057793 1071887418 /nfs/dbraw/zinc/88/74/18/1071887418.db2.gz SPXBPORGMCYSMT-JOCHJYFZSA-N 0 3 483.661 3.831 20 0 JHADHN CCO[C@@H](CCn1c(Cc2cn3ccccc3n2)nnc1N1CCN(C(C)(C)C)CC1)C(C)C ZINC001314068243 1071916810 /nfs/dbraw/zinc/91/68/10/1071916810.db2.gz OSLVQNSRCFZJJQ-QFIPXVFZSA-N 0 3 467.662 3.888 20 0 JHADHN CCO[C@@H](Cn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(C)(C)C)CC1)c1ccccc1 ZINC001314078861 1071938688 /nfs/dbraw/zinc/93/86/88/1071938688.db2.gz RMEIMUVUAVJPGY-VABKMULXSA-N 0 3 471.646 3.700 20 0 JHADHN CCO[C@]1(c2nnc(N(C)Cc3ccccc3)n2C[C@H](c2cccs2)N(C)C)CCOC1 ZINC001314080830 1071942553 /nfs/dbraw/zinc/94/25/53/1071942553.db2.gz GMYHGKCOBMADCQ-HYBUGGRVSA-N 0 3 455.628 3.931 20 0 JHADHN CCO[C@]1(c2nnc(N(C)Cc3ccc(C)o3)n2C[C@@H](c2ccc(F)cc2)N(C)C)CCOC1 ZINC001314082308 1071945716 /nfs/dbraw/zinc/94/57/16/1071945716.db2.gz DIBXLBNXOOASDV-WIOPSUGQSA-N 0 3 471.577 3.910 20 0 JHADHN CCO[C@@]1(c2nnc(N3CC=C(C(F)(F)F)CC3)n2C[C@@H](c2ccccc2)N(C)C)CCOC1 ZINC001314107809 1071999624 /nfs/dbraw/zinc/99/96/24/1071999624.db2.gz VLFGNOHILAORCN-REWPJTCUSA-N 0 3 479.547 3.932 20 0 JHADHN CCO[C@@]1(c2nnc(N3CCN(C(C)(C)C)CC3)n2Cc2c(C)cc(C)cc2C)CCOC1 ZINC001314135230 1072047875 /nfs/dbraw/zinc/04/78/75/1072047875.db2.gz MQRBOGHDFWIUBM-SANMLTNESA-N 0 3 455.647 3.824 20 0 JHADHN CCO[C@]1(c2nnc(N3CCN(CCC(C)(C)C)CC3)n2CC2(OC)CCCCC2)CCOC1 ZINC001314133165 1072045288 /nfs/dbraw/zinc/04/52/88/1072045288.db2.gz ACOXSJSRDWLWDZ-AREMUKBSSA-N 0 3 477.694 3.838 20 0 JHADHN CCO[C@]1(c2nnc(N3CCN(C(C)(C)C)CC3)n2Cc2ccc(OCC(C)C)cc2)CCOC1 ZINC001314138350 1072049960 /nfs/dbraw/zinc/04/99/60/1072049960.db2.gz XUZQEPWFWXOXBM-HHHXNRCGSA-N 0 3 485.673 3.934 20 0 JHADHN CCc1ccc([C@@H](Cn2c(N3CCC(N(C)C(C)=O)CC3)nnc2C(C)(C)C)N(C)C)cc1 ZINC001305922089 1068218188 /nfs/dbraw/zinc/21/81/88/1068218188.db2.gz ZHBSXJZHCSVNQQ-HSZRJFAPSA-N 0 3 454.663 3.888 20 0 JHADHN CCc1ccc([C@H](Cn2c(N3CCC(N(C)C(C)=O)CC3)nnc2C(C)(C)C)N(C)C)cc1 ZINC001305922090 1068218245 /nfs/dbraw/zinc/21/82/45/1068218245.db2.gz ZHBSXJZHCSVNQQ-QHCPKHFHSA-N 0 3 454.663 3.888 20 0 JHADHN CCc1ccc(-c2nnc(N3CCC(S(C)(=O)=O)CC3)n2C[C@@H](C)N2CCC[C@H](C)C2)cc1 ZINC001305937633 1068242252 /nfs/dbraw/zinc/24/22/52/1068242252.db2.gz NXBIPOSLNWMOTP-VQTJNVASSA-N 0 3 473.687 3.641 20 0 JHADHN CCc1ccc(-c2nnc(N3CCO[C@]4(CCOC4)C3)n2CCN(CC)CCC(F)(F)F)cc1 ZINC001305950269 1068273395 /nfs/dbraw/zinc/27/33/95/1068273395.db2.gz JIULRWHHJNOJSN-HSZRJFAPSA-N 0 3 481.563 3.778 20 0 JHADHN CCc1ccc(-c2nnc(N3CCO[C@H](C)C3)n2C[C@@H](C(CC)CC)N2CCOCC2)cc1 ZINC001305950526 1068274253 /nfs/dbraw/zinc/27/42/53/1068274253.db2.gz SQQIGKMQASOPNJ-YKSBVNFPSA-N 0 3 455.647 3.870 20 0 JHADHN CCc1ccc(Cn2c(CC(C)(C)C)nnc2N2C[C@@H](C)[C@H](N3CCCN(C(C)=O)CC3)C2)s1 ZINC001305967010 1068300696 /nfs/dbraw/zinc/30/06/96/1068300696.db2.gz TYJNJHICONPWPL-AUSIDOKSSA-N 0 3 486.730 3.918 20 0 JHADHN CCc1ccccc1OCc1nnc(N2CCC[C@@H]2CC)n1CCN1CCN(C)C(C)(C)C1 ZINC001305984406 1068331904 /nfs/dbraw/zinc/33/19/04/1068331904.db2.gz FRXNJWSLRLOGQU-QFIPXVFZSA-N 0 3 454.663 3.824 20 0 JHADHN CCc1ccccc1OCc1nnc(N2CCSC[C@@H]2C)n1C[C@H](C)CN1CCN(CC)CC1 ZINC001305989586 1068348190 /nfs/dbraw/zinc/34/81/90/1068348190.db2.gz IOIMMMQKSQRQBJ-YADHBBJMSA-N 0 3 486.730 3.635 20 0 JHADHN CCc1nc(CCn2c(C(=O)Nc3ccccn3)nnc2N2CCN(CCC(C)(C)C)CC2)cs1 ZINC001306011617 1068394071 /nfs/dbraw/zinc/39/40/71/1068394071.db2.gz LDXPCLNCSKMZGL-UHFFFAOYSA-N 0 3 496.685 3.745 20 0 JHADHN CCc1nc(CCn2c(-c3ccc(Cl)cc3OC)nnc2N2C[C@H](C)N(CC)C[C@H]2C)no1 ZINC001306017835 1068403290 /nfs/dbraw/zinc/40/32/90/1068403290.db2.gz KARODPHXBHLWFP-JKSUJKDBSA-N 0 3 474.009 3.714 20 0 JHADHN CCc1nn(C)c(CC)c1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001306042462 1068458737 /nfs/dbraw/zinc/45/87/37/1068458737.db2.gz BPEUMORUQOOOPQ-UHFFFAOYSA-N 0 3 495.672 3.789 20 0 JHADHN CCc1nn(C)c(CC)c1Cn1c(-c2cccc(OC)c2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C ZINC001306044221 1068463455 /nfs/dbraw/zinc/46/34/55/1068463455.db2.gz YRVCDSNQZQMPTQ-RTBURBONSA-N 0 3 465.646 3.779 20 0 JHADHN CCc1nnc(N2CC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)n1CCN(C)Cc1ccc(F)cc1 ZINC001306133711 1068536523 /nfs/dbraw/zinc/53/65/23/1068536523.db2.gz HMBQXDPMYXXANA-FQEVSTJZSA-N 0 3 474.625 3.805 20 0 JHADHN CCc1nnc(N2CC[C@@H](N3CCN(C(C)C)CC3)C2)n1Cc1cccc(COCC(F)(F)F)c1 ZINC001306140909 1068541800 /nfs/dbraw/zinc/54/18/00/1068541800.db2.gz BBSUXKWONLQXKG-JOCHJYFZSA-N 0 3 494.606 3.572 20 0 JHADHN CCc1nnc(N2CCC(NC(=O)Nc3ccccc3)CC2)n1C[C@H](c1cccs1)N(C)C ZINC001306143744 1068545843 /nfs/dbraw/zinc/54/58/43/1068545843.db2.gz LGDAYEQPFLJKGH-HXUWFJFHSA-N 0 3 467.643 3.995 20 0 JHADHN CCc1nnc(N2CCCN(CC(F)(F)F)CC2)n1C[C@H](c1ccccc1OC)N1CCCC1 ZINC001306180243 1068571138 /nfs/dbraw/zinc/57/11/38/1068571138.db2.gz HJJUOIZHEMYSHW-HXUWFJFHSA-N 0 3 480.579 3.761 20 0 JHADHN CCc1nnc(N2CCN(C(=O)CCC3CCCC3)CC2)n1C[C@@H](c1cccs1)N(C)C ZINC001306184463 1068574880 /nfs/dbraw/zinc/57/48/80/1068574880.db2.gz CBDQKESOJBNNCZ-FQEVSTJZSA-N 0 3 458.676 3.824 20 0 JHADHN CC[C@@H]1[C@H](C)CCN1c1nnc([C@H](C)OCCOC)n1CC1(N2CCSCC2)CCCC1 ZINC001306260070 1068669380 /nfs/dbraw/zinc/66/93/80/1068669380.db2.gz JZNJKZCQJUVSSE-QHAWAJNXSA-N 0 3 465.708 3.989 20 0 JHADHN CC[C@@H]1[C@H](C)CCN1c1nnc([C@@H](C)OCCOC)n1CC1(N2CCSCC2)CCCC1 ZINC001306260067 1068669483 /nfs/dbraw/zinc/66/94/83/1068669483.db2.gz JZNJKZCQJUVSSE-NJDAHSKKSA-N 0 3 465.708 3.989 20 0 JHADHN CC[C@@H]1CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[C@H](C)N(C)Cc2ccccc2)C1 ZINC001306337544 1068774178 /nfs/dbraw/zinc/77/41/78/1068774178.db2.gz QQPOLQFIBIILNS-XJUOHMSHSA-N 0 3 473.687 3.717 20 0 JHADHN CC[C@@H]1CCCN(c2nnc(CCOc3ccccc3)n2CCN2CCN(C)C(C)(C)C2)C1 ZINC001306338238 1068775346 /nfs/dbraw/zinc/77/53/46/1068775346.db2.gz MUWVFNADKWQTKL-JOCHJYFZSA-N 0 3 454.663 3.552 20 0 JHADHN CC[C@H]1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@H](C)N2CCN(CC)CC2)C1 ZINC001306363063 1068798959 /nfs/dbraw/zinc/79/89/59/1068798959.db2.gz QFHVCDDPWHOKOO-OALUTQOASA-N 0 3 475.479 3.970 20 0 JHADHN CC[C@H]1CCN(c2nnc(-c3noc4c3COCC4)n2CCN(CC)CCC(F)(F)F)C1 ZINC001306370957 1068804762 /nfs/dbraw/zinc/80/47/62/1068804762.db2.gz HSSSBVSKPABUPP-HNNXBMFYSA-N 0 3 456.513 3.516 20 0 JHADHN CCC1CCN(c2nnc(COc3ccccc3F)n2CCCN2CCN(CC)CC2)CC1 ZINC001306382014 1068813542 /nfs/dbraw/zinc/81/35/42/1068813542.db2.gz UCFGTZDRMMBOTC-UHFFFAOYSA-N 0 3 458.626 3.650 20 0 JHADHN CC[C@@H]1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@@H](C)N2CCN(CC)CC2)C1 ZINC001306383923 1068816818 /nfs/dbraw/zinc/81/68/18/1068816818.db2.gz SACVADVIOXSYAL-DHIUTWEWSA-N 0 3 454.663 3.736 20 0 JHADHN CC[C@H]1CN(c2nnc(Cc3csc(C)n3)n2C[C@@H](c2cccc(OC)c2)N(C)C)CCO1 ZINC001306444307 1068955873 /nfs/dbraw/zinc/95/58/73/1068955873.db2.gz MJBCOABNYVEZML-UNMCSNQZSA-N 0 3 470.643 3.561 20 0 JHADHN CC[C@H]1CN(c2nnc(CCOc3ccccc3)n2C[C@H](c2cccs2)N(C)C)CCO1 ZINC001306445881 1068958992 /nfs/dbraw/zinc/95/89/92/1068958992.db2.gz AXXLNJSDUOBOBR-PZJWPPBQSA-N 0 3 455.628 3.879 20 0 JHADHN CN(C)CCN(Cc1ccccc1)C(=O)Nc1cnc2c(c1)CN(C(=O)OC(C)(C)C)CC2 ZINC001310498771 1068983387 /nfs/dbraw/zinc/98/33/87/1068983387.db2.gz XAOSHSLYLPBUOC-UHFFFAOYSA-N 0 3 453.587 3.971 20 0 JHADHN CC/C=C/Cn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC001306482535 1069022688 /nfs/dbraw/zinc/02/26/88/1069022688.db2.gz ARYDMKDCGPKTGG-JXSPYEIYSA-N 0 3 466.674 3.643 20 0 JHADHN CCN1CCN(c2cccc(NC(=O)NCCC3=CCN(C(=O)OC(C)(C)C)CC3)c2)CC1 ZINC001310596468 1069040123 /nfs/dbraw/zinc/04/01/23/1069040123.db2.gz KUOGVWTYIMASEL-UHFFFAOYSA-N 0 3 457.619 3.907 20 0 JHADHN CCN1CCN(c2cccc(NC(=O)N[C@H]3CCN(c4ccc(Cl)cc4F)C3=O)c2)CC1 ZINC001310597469 1069041136 /nfs/dbraw/zinc/04/11/36/1069041136.db2.gz RVCKNELGTACPFZ-FQEVSTJZSA-N 0 3 459.953 3.548 20 0 JHADHN CCCC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C)n3)n2C[C@H](c2ccc(F)cc2)N(C)C)C1 ZINC001306501639 1069066274 /nfs/dbraw/zinc/06/62/74/1069066274.db2.gz GSYQBFGIVHVGNB-ISKFKSNPSA-N 0 3 493.631 3.976 20 0 JHADHN CCCC(=O)N[C@@H]1CCCN(c2nnc(CC(C)C)n2C[C@@H](c2cccc(F)c2)N(C)C)C1 ZINC001306504128 1069075822 /nfs/dbraw/zinc/07/58/22/1069075822.db2.gz CPAVRFFEGIZXED-YADHBBJMSA-N 0 3 458.626 3.804 20 0 JHADHN Cc1nc2ccc(NC(=O)N(Cc3ccccc3Br)C3CCN(C)CC3)cn2n1 ZINC001310651435 1069085277 /nfs/dbraw/zinc/08/52/77/1069085277.db2.gz OLPCSYDBUXBHOH-UHFFFAOYSA-N 0 3 457.376 3.929 20 0 JHADHN O=C(NCc1ccccc1CN1CCC(O)CC1)Nc1ccc(-c2noc(C(F)F)n2)cc1 ZINC001310661162 1069094104 /nfs/dbraw/zinc/09/41/04/1069094104.db2.gz XGYWMTMYHXRIEJ-UHFFFAOYSA-N 0 3 457.481 3.953 20 0 JHADHN Cc1c(NC(=O)NC[C@@H]2CCCN2Cc2ccccc2)nnn1CCOc1ccc(F)cc1 ZINC001310724996 1069136918 /nfs/dbraw/zinc/13/69/18/1069136918.db2.gz BUESQVZPJSMHNN-NRFANRHFSA-N 0 3 452.534 3.591 20 0 JHADHN CCC[C@](C)(O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001306531746 1069172290 /nfs/dbraw/zinc/17/22/90/1069172290.db2.gz UNXBGCVGNDHSSI-VWLOTQADSA-N 0 3 459.635 3.824 20 0 JHADHN CCC[C@](C)(O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001306540496 1069188596 /nfs/dbraw/zinc/18/85/96/1069188596.db2.gz IHIMOSUAZKWCOP-VWLOTQADSA-N 0 3 476.065 3.622 20 0 JHADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)Nc1nnc(Cc2ccc(C(F)(F)F)cc2)s1 ZINC001310878080 1069205187 /nfs/dbraw/zinc/20/51/87/1069205187.db2.gz SBGLUFPFCWETHT-MRXNPFEDSA-N 0 3 457.522 3.722 20 0 JHADHN COC(=O)[C@@H]1CCc2sc(NC(=O)N(CCN(C)C)Cc3cccc(Cl)c3)nc2C1 ZINC001310902091 1069215434 /nfs/dbraw/zinc/21/54/34/1069215434.db2.gz CSPOFHIXVXFKKQ-OAHLLOKOSA-N 0 3 450.992 3.670 20 0 JHADHN CCCC(O)(CCC)Cn1c(-c2ccc(C)o2)nnc1N1CCN(CC2CCOCC2)CC1 ZINC001306594357 1069265979 /nfs/dbraw/zinc/26/59/79/1069265979.db2.gz JRQIZSLRONNLJT-UHFFFAOYSA-N 0 3 459.635 3.726 20 0 JHADHN CCCc1nc(C)c(Cn2c(CC(C)(C)C)nnc2N2CCN(C3CCOCC3)C[C@@H]2C)o1 ZINC001306611348 1069288306 /nfs/dbraw/zinc/28/83/06/1069288306.db2.gz GNIIDVIUUBKWOJ-SFHVURJKSA-N 0 3 458.651 3.853 20 0 JHADHN COC(=O)c1cc(NC(=O)N[C@@H]2CN(Cc3ccccc3)C[C@@H]2C)c(Cl)cc1NC(C)=O ZINC001311191813 1069294051 /nfs/dbraw/zinc/29/40/51/1069294051.db2.gz ZDBORTJSSQPYDG-LHSJRXKWSA-N 0 3 458.946 3.727 20 0 JHADHN CCC[C@@H]1CN(c2nnc(-c3cccnc3)n2C[C@@](C)(O)c2ccccc2Cl)CCN1CCOC ZINC001306620421 1069306279 /nfs/dbraw/zinc/30/62/79/1069306279.db2.gz GMTYMGSUIDSKMF-QFQXNSOFSA-N 0 3 499.059 3.838 20 0 JHADHN CCOC(=O)C1CCN(C2CCN(C(F)(F)c3cc(Cl)nc(-c4cccnc4)n3)CC2)CC1 ZINC001164617542 719031624 /nfs/dbraw/zinc/03/16/24/719031624.db2.gz ODVKWQZPQICLAF-UHFFFAOYSA-N 0 3 479.959 3.981 20 0 JHADHN CN(Cc1ccc(N2CC[C@@]3(C2)c2ccccc2S(=O)(=O)N3Cc2ccccc2)nc1)C1CC1 ZINC001164654930 719322694 /nfs/dbraw/zinc/32/26/94/719322694.db2.gz TTYWGDKOCWTXBQ-HHHXNRCGSA-N 0 3 474.630 3.986 20 0 JHADHN CCOC(=O)c1ccc(Cl)nc1-c1ccc(F)cc1N1CCN2C[C@@H](Oc3cncnc3)C[C@H]2C1 ZINC001164739872 720730076 /nfs/dbraw/zinc/73/00/76/720730076.db2.gz JBYQSEYMKWEUJL-ROUUACIJSA-N 0 3 497.958 3.850 20 0 JHADHN Cc1nc2scc(-c3cccs3)c2c(N2CCN3C[C@@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164741149 720765151 /nfs/dbraw/zinc/76/51/51/720765151.db2.gz MKMQIAQQZWRDRM-CVEARBPZSA-N 0 3 450.593 3.860 20 0 JHADHN CC(C)CN1[C@@H]2CCN(c3ccc(CN(C)C4CC4)cn3)CC[C@H]2Oc2ccccc2S1(=O)=O ZINC001164758931 720972381 /nfs/dbraw/zinc/97/23/81/720972381.db2.gz XFEPVWTULGRBOE-DHIUTWEWSA-N 0 3 484.666 3.753 20 0 JHADHN CC(C)CN1[C@H]2CCN(c3ccc(CN(C)C4CC4)cn3)CC[C@H]2Oc2ccccc2S1(=O)=O ZINC001164758934 720972643 /nfs/dbraw/zinc/97/26/43/720972643.db2.gz XFEPVWTULGRBOE-XZOQPEGZSA-N 0 3 484.666 3.753 20 0 JHADHN Cc1c(C)n(Cc2ccccc2)c2ncnc(N3C[C@H]4CN(Cc5cnn(C)c5)CC[C@@H]4C3)c12 ZINC001164766055 721198776 /nfs/dbraw/zinc/19/87/76/721198776.db2.gz IVSSPVQHKNSHKL-DNQXCXABSA-N 0 3 455.610 3.788 20 0 JHADHN COc1cccc(-c2nc3ccccc3c(N3C[C@H]4CN(Cc5cnn(C)c5)CC[C@@H]4C3)n2)c1 ZINC001164771499 721218842 /nfs/dbraw/zinc/21/88/42/721218842.db2.gz QPWHSFCZZWWMBL-FGZHOGPDSA-N 0 3 454.578 3.997 20 0 JHADHN COc1cccc(-c2nc3ccccc3c(N3C[C@@H]4CCN(Cc5cnn(C)c5)C[C@@H]4C3)n2)c1 ZINC001164771498 721219969 /nfs/dbraw/zinc/21/99/69/721219969.db2.gz QPWHSFCZZWWMBL-FCHUYYIVSA-N 0 3 454.578 3.997 20 0 JHADHN Cc1c(C)n(Cc2ccccc2)c2ncnc(N3CC[C@]4(C3)CCC[C@@H](CN3CCN(C)CC3)O4)c12 ZINC001164899487 721434902 /nfs/dbraw/zinc/43/49/02/721434902.db2.gz YNOWILUDGJNVBB-SVEHJYQDSA-N 0 3 488.680 3.862 20 0 JHADHN O=C(c1cc(Cl)nc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@@H]3C2)c1)N1CCCCC1 ZINC001164899755 721520697 /nfs/dbraw/zinc/52/06/97/721520697.db2.gz MINUQRPLKPBPRO-CTNGQTDRSA-N 0 3 458.965 3.842 20 0 JHADHN Fc1cccc(O[C@@H]2C[C@@H]3CN(c4nc(Cl)nc5c(Cl)nc(Cl)nc54)CCN3C2)c1 ZINC001164897600 721523194 /nfs/dbraw/zinc/52/31/94/721523194.db2.gz GACGCYBFUYACJT-DGCLKSJQSA-N 0 3 469.735 3.861 20 0 JHADHN O=C(NCCSCc1ccco1)c1cccnc1N1CCN2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164909897 721543104 /nfs/dbraw/zinc/54/31/04/721543104.db2.gz SHWUJHVOMJGUCE-OFNKIYASSA-N 0 3 496.608 3.819 20 0 JHADHN CN(Cc1cccnc1)[C@@H]1CN(c2ccc3c(n2)CCN(Cc2ccccc2)C3)[C@@H]2CCCO[C@H]12 ZINC001164800555 721544521 /nfs/dbraw/zinc/54/45/21/721544521.db2.gz CHFLIVJJHLVBRP-QQJNOOCOSA-N 0 3 469.633 3.903 20 0 JHADHN Fc1cccc(O[C@@H]2C[C@H]3CN(c4ccc(-c5ccc6c(c5)OCCCO6)nn4)CCN3C2)c1 ZINC001164905898 721558112 /nfs/dbraw/zinc/55/81/12/721558112.db2.gz HXRGBDUUSSXIGD-RBBKRZOGSA-N 0 3 462.525 3.786 20 0 JHADHN CCOC(=O)c1cc2ccc(N(C)C3CCN(Cc4c(OC)cccc4OC)CC3)nc2[nH]1 ZINC001165020446 721842693 /nfs/dbraw/zinc/84/26/93/721842693.db2.gz DOYABCJHXJHGHV-UHFFFAOYSA-N 0 3 452.555 3.858 20 0 JHADHN O=C(Nc1ccc(Cl)nc1)OCC(F)(F)N1CCC2(CC1)COCCN(Cc1ccncc1)C2 ZINC001164963765 722062528 /nfs/dbraw/zinc/06/25/28/722062528.db2.gz CYVCSCYRLYGMHC-UHFFFAOYSA-N 0 3 495.958 3.886 20 0 JHADHN Fc1ccc(Cn2ccc3c2ncnc3N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)cc1 ZINC001164979849 722124447 /nfs/dbraw/zinc/12/44/47/722124447.db2.gz QMEACMGEJUHGJZ-RDGATRHJSA-N 0 3 472.568 3.741 20 0 JHADHN FC(F)(c1cc(Cl)nc(-c2ccncc2)n1)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164978889 722138247 /nfs/dbraw/zinc/13/82/47/722138247.db2.gz KJRYGQZOSDDLKV-WOJBJXKFSA-N 0 3 486.954 3.859 20 0 JHADHN c1cc2c(nc(-c3ccncc3)nc2N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)s1 ZINC001164982696 722151618 /nfs/dbraw/zinc/15/16/18/722151618.db2.gz SEFAHLBGWCYMLE-IFMALSPDSA-N 0 3 458.591 3.876 20 0 JHADHN Clc1cccc(COc2cncc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)n2)c1 ZINC001164976241 722154015 /nfs/dbraw/zinc/15/40/15/722154015.db2.gz VSWYMMQFGGYQMI-FYYLOGMGSA-N 0 3 465.985 3.831 20 0 JHADHN CCC[C@@H]1CN(c2nnc(-c3ccc(F)cc3Br)n2C[C@@H](C)OC)CCN1CCOC ZINC001306621644 1069310814 /nfs/dbraw/zinc/31/08/14/1069310814.db2.gz DDBYXCHBMTXJBG-SJLPKXTDSA-N 0 3 498.441 3.819 20 0 JHADHN O=C(NCC1(O)CCN(Cc2ccccc2)CC1)Nc1c(F)ccc(Br)c1F ZINC001311261905 1069311434 /nfs/dbraw/zinc/31/14/34/1069311434.db2.gz YHNGHEICMBXOPP-UHFFFAOYSA-N 0 3 454.315 3.876 20 0 JHADHN CCC[C@H]1CN(c2nnc(-c3cccc(C)n3)n2Cc2ccccc2F)CCN1CCOC ZINC001306623194 1069314161 /nfs/dbraw/zinc/31/41/61/1069314161.db2.gz HMLMNDKNGZSNSZ-NRFANRHFSA-N 0 3 452.578 3.773 20 0 JHADHN COc1ccc([C@@H](CNC(=O)NC[C@@H]2CC(c3ccc(C)c(C)c3)=NO2)N2CCCC2)cc1 ZINC001311348025 1069334184 /nfs/dbraw/zinc/33/41/84/1069334184.db2.gz XUTCTNIKFFEJMY-UKILVPOCSA-N 0 3 450.583 3.941 20 0 JHADHN CCN1CCN(Cc2ccccc2CNC(=O)N[C@H](C[C@H]2CCOC2)c2ccccc2)CC1 ZINC001311357873 1069341288 /nfs/dbraw/zinc/34/12/88/1069341288.db2.gz NRBCLMCSVAVIEX-ATIYNZHBSA-N 0 3 450.627 3.791 20 0 JHADHN Cc1cccc(N2CCN(CCCCNC(=O)NCC3(C)CCC4(CC3)OCCO4)CC2)c1 ZINC001311379461 1069353238 /nfs/dbraw/zinc/35/32/38/1069353238.db2.gz CIXOLAUWBNDKPX-UHFFFAOYSA-N 0 3 458.647 3.520 20 0 JHADHN Cc1cccc([C@@H](CNC(=O)N[C@H](CN(C)Cc2ccccc2)C(C)C)N2CCOCC2)c1 ZINC001311389765 1069357496 /nfs/dbraw/zinc/35/74/96/1069357496.db2.gz AKLKFWATCHHOIK-CLJLJLNGSA-N 0 3 452.643 3.824 20 0 JHADHN CC[C@@H](CNC(=O)NC[C@@H](c1cccc(C)c1)N1CCOCC1)N1CCc2ccccc2C1 ZINC001311392904 1069359582 /nfs/dbraw/zinc/35/95/82/1069359582.db2.gz XEQUIJFHLSZNGD-UIOOFZCWSA-N 0 3 450.627 3.504 20 0 JHADHN CC[C@H](CNC(=O)NC[C@H](c1ccc(C)cc1)N1CCOCC1)N1CCc2ccccc2C1 ZINC001311394375 1069360052 /nfs/dbraw/zinc/36/00/52/1069360052.db2.gz BIWLXSCPRBFAOI-CLJLJLNGSA-N 0 3 450.627 3.504 20 0 JHADHN O=C(N[C@H](CN1CCCC1)c1ccccc1)N1CCN(CCOc2ccccc2Cl)CC1 ZINC001311406012 1069364689 /nfs/dbraw/zinc/36/46/89/1069364689.db2.gz QKCMGDMOVHNXQL-HSZRJFAPSA-N 0 3 457.018 3.883 20 0 JHADHN CC(=O)NCCN(Cc1ccc(Cl)cc1Cl)C(=O)NC[C@H](c1ccccc1)N(C)C ZINC001311419268 1069368041 /nfs/dbraw/zinc/36/80/41/1069368041.db2.gz SKRMTOZMOHKVNV-OAQYLSRUSA-N 0 3 451.398 3.944 20 0 JHADHN CCCCCn1cc(Cn2c(-c3cccn3C)nnc2N2C[C@@H](C)N(CC)C[C@H]2C)c(C)n1 ZINC001306657422 1069371195 /nfs/dbraw/zinc/37/11/95/1069371195.db2.gz ZQTMJSAURCUMMU-WOJBJXKFSA-N 0 3 452.651 3.946 20 0 JHADHN CCCCCn1cc(Cn2c([C@H]3CCCOC3)nnc2N2CCN(C(C)(C)C)CC2)c(C)n1 ZINC001306657981 1069372616 /nfs/dbraw/zinc/37/26/16/1069372616.db2.gz MPDYEDPAZYDSLX-NRFANRHFSA-N 0 3 457.667 3.836 20 0 JHADHN CC(C)C[C@H]1CN(CCCc2ccccc2)CCN1C(=O)NC[C@H]1CN(CC(C)C)CCO1 ZINC001311440198 1069381015 /nfs/dbraw/zinc/38/10/15/1069381015.db2.gz CGQWZTKFBZXVNB-UIOOFZCWSA-N 0 3 458.691 3.718 20 0 JHADHN CCN(CC)[C@@H](CNC(=O)N[C@H]1CCN(c2ccc(Cl)cc2)C1=O)c1cccc(OC)c1 ZINC001311470598 1069393795 /nfs/dbraw/zinc/39/37/95/1069393795.db2.gz REYLDUBFNCDHQD-VXKWHMMOSA-N 0 3 458.990 3.836 20 0 JHADHN CC[C@H](c1ccccc1)N1CCN(C(=O)NC[C@H](c2cccs2)N2CCN(C)CC2)CC1 ZINC001311569510 1069441942 /nfs/dbraw/zinc/44/19/42/1069441942.db2.gz GAZMFLBFWSAESU-DHIUTWEWSA-N 0 3 455.672 3.515 20 0 JHADHN Cc1ccc(NC(=O)NC[C@@H]2CCCN(C(=O)NC[C@@H](Cc3ccccc3)N(C)C)C2)cc1 ZINC001311569418 1069441995 /nfs/dbraw/zinc/44/19/95/1069441995.db2.gz WBBGUORCMQRNPC-LADGPHEKSA-N 0 3 451.615 3.711 20 0 JHADHN O=C(N[C@H]1CCCN(Cc2ccccc2)C1)N1CCN(CCOc2ccc(Cl)cc2)CC1 ZINC001311565063 1069440125 /nfs/dbraw/zinc/44/01/25/1069440125.db2.gz WAGRMEKSIIRAJV-QHCPKHFHSA-N 0 3 457.018 3.711 20 0 JHADHN CC1CCN([C@H](CNC(=O)NC[C@@H](CO)Cc2ccc(F)c(F)c2)c2cccs2)CC1 ZINC001311568117 1069441340 /nfs/dbraw/zinc/44/13/40/1069441340.db2.gz BWTQWRIXXJRCTQ-GHTZIAJQSA-N 0 3 451.583 3.950 20 0 JHADHN COc1ccc(Cl)cc1NC(=O)CCNC(=O)NC[C@H](c1cccs1)N1CCCC1 ZINC001311578174 1069446868 /nfs/dbraw/zinc/44/68/68/1069446868.db2.gz YISZVPJFLHOEMY-QGZVFWFLSA-N 0 3 450.992 3.875 20 0 JHADHN COc1ccc(Cl)cc1NC(=O)CCNC(=O)NC[C@@H](c1cccs1)N1CCCC1 ZINC001311578173 1069447041 /nfs/dbraw/zinc/44/70/41/1069447041.db2.gz YISZVPJFLHOEMY-KRWDZBQOSA-N 0 3 450.992 3.875 20 0 JHADHN COc1cccc([C@@H](CNC(=O)NCc2ccc(C)cc2O[C@@H]2CCOC2)N2CCCC2)c1 ZINC001311582945 1069449340 /nfs/dbraw/zinc/44/93/40/1069449340.db2.gz ZJOQQRQHVNUEFZ-DNQXCXABSA-N 0 3 453.583 3.808 20 0 JHADHN C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)NCC2(N3CCSCC3)CCCC2)C1 ZINC001311583576 1069450128 /nfs/dbraw/zinc/45/01/28/1069450128.db2.gz KOGKTBKSIVJIKF-RBUKOAKNSA-N 0 3 454.681 3.683 20 0 JHADHN CCCN(C(=O)NCCCCN1CCN(Cc2ccccc2)CC1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC001311630852 1069478797 /nfs/dbraw/zinc/47/87/97/1069478797.db2.gz UUMAGQYCDMQFEK-SDHSZQHLSA-N 0 3 456.675 3.820 20 0 JHADHN CCCCNC(=O)[C@@H]1CC[C@H](C)N(c2nnc(C)n2CCCN2CCc3ccccc3C2)C1 ZINC001306733383 1069492680 /nfs/dbraw/zinc/49/26/80/1069492680.db2.gz WEOZDFCUKRONBK-GBXCKJPGSA-N 0 3 452.647 3.556 20 0 JHADHN COC(=O)c1cnc([C@H]2CCCN(C(=O)NC[C@H](c3ccc(C)cc3)N3CCCC3)C2)s1 ZINC001311764189 1069537788 /nfs/dbraw/zinc/53/77/88/1069537788.db2.gz DXLRJBZXGXKMJX-VQTJNVASSA-N 0 3 456.612 3.964 20 0 JHADHN CCCCOc1ccc(-c2nnc(N3C[C@@H](C)N(CC)C[C@@H]3C)n2CC2(O)CC2)cc1OC ZINC001306748754 1069539273 /nfs/dbraw/zinc/53/92/73/1069539273.db2.gz LYCJGBFBGMTINJ-MOPGFXCFSA-N 0 3 457.619 3.576 20 0 JHADHN C[C@H](CNC(=O)N1CCC(C(=O)NCCN(C)Cc2ccccc2)CC1)c1ccc(F)cc1 ZINC001311788958 1069545810 /nfs/dbraw/zinc/54/58/10/1069545810.db2.gz PUOKNWBTMFXBDH-HXUWFJFHSA-N 0 3 454.590 3.599 20 0 JHADHN C[C@@H]1[C@H](NC(=O)NC[C@@H](c2cccc(Cl)c2)N2CCOCC2)CCN1Cc1ccccc1 ZINC001311829776 1069567554 /nfs/dbraw/zinc/56/75/54/1069567554.db2.gz NLVYCOCKQWLYGL-FOVJLYNBSA-N 0 3 457.018 3.676 20 0 JHADHN C[C@@H](CNC(=O)NCC1(N2CCOC(C)(C)C2)CCCCC1)CN(C)C(=O)OC(C)(C)C ZINC001311931419 1069619263 /nfs/dbraw/zinc/61/92/63/1069619263.db2.gz YWLCWWDTVYIFSY-IBGZPJMESA-N 0 3 454.656 3.602 20 0 JHADHN CC(C)Oc1ccc([C@H](CNC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(C)C)N(C)C)cc1 ZINC001311943245 1069623717 /nfs/dbraw/zinc/62/37/17/1069623717.db2.gz AYWPIMOELHXAIH-SFTDATJTSA-N 0 3 450.624 3.925 20 0 JHADHN Cc1cc(F)ccc1N1CCC[C@@H](NC(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC001312003603 1069663328 /nfs/dbraw/zinc/66/33/28/1069663328.db2.gz VBSPOBFTGNIFSG-DNQXCXABSA-N 0 3 454.590 3.693 20 0 JHADHN COc1cc([C@H](C)NC(=O)N[C@H](CN2CCCCC2)c2ccccc2)ccc1S(C)(=O)=O ZINC001312011329 1069668385 /nfs/dbraw/zinc/66/83/85/1069668385.db2.gz HQFKKTZQUVRDAZ-GHTZIAJQSA-N 0 3 459.612 3.686 20 0 JHADHN CCOc1ccc(-c2nnc(N3CC[C@@H](C)[C@@H](O)C3)n2C[C@H](c2cccs2)N(C)C)cc1OC ZINC001314177493 1069711227 /nfs/dbraw/zinc/71/12/27/1069711227.db2.gz CVCGHDYTEKZKKV-RLLQIKCJSA-N 0 3 485.654 3.924 20 0 JHADHN CCOc1ccc(-c2nnc(N3CCN(C(C)(C)C)CC3)n2CC(C)(C)COC)cc1OC ZINC001314178554 1069716249 /nfs/dbraw/zinc/71/62/49/1069716249.db2.gz YOSPTQOFUDUQSB-UHFFFAOYSA-N 0 3 459.635 3.946 20 0 JHADHN CCC(CC)c1cc(CNC(=O)N2CCC[C@H](CN3CCN(c4ccccn4)CC3)C2)on1 ZINC001312106620 1069722849 /nfs/dbraw/zinc/72/28/49/1069722849.db2.gz JXTGFZJIWUUHNC-HXUWFJFHSA-N 0 3 454.619 3.717 20 0 JHADHN Cc1cccc(Oc2cc(CNC(=O)N3CC[C@@H](N4CCN(C)CC4)[C@@H](C)C3)ccn2)c1C ZINC001312146294 1069746300 /nfs/dbraw/zinc/74/63/00/1069746300.db2.gz HEZQQZGAODDZPW-NZQKXSOJSA-N 0 3 451.615 3.658 20 0 JHADHN Cc1cccc(Oc2cc(CNC(=O)N3CC[C@H](N4CCN(C)CC4)[C@@H](C)C3)ccn2)c1C ZINC001312146296 1069747050 /nfs/dbraw/zinc/74/70/50/1069747050.db2.gz HEZQQZGAODDZPW-REWPJTCUSA-N 0 3 451.615 3.658 20 0 JHADHN CCCN1CC[C@@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2cccc(C(F)(F)F)c2)C1 ZINC001307043388 1069774549 /nfs/dbraw/zinc/77/45/49/1069774549.db2.gz JWCFFYHYMQYMPZ-RTBURBONSA-N 0 3 499.603 3.567 20 0 JHADHN COC(=O)[C@@H]1CN(C(=O)N[C@@H]2C[C@H](C)N(Cc3ccccc3)C2)C[C@H]1c1ccc(Cl)cc1 ZINC001312252155 1069811002 /nfs/dbraw/zinc/81/10/02/1069811002.db2.gz JAPFUBMPRGUHQZ-VQROGVPDSA-N 0 3 455.986 3.901 20 0 JHADHN C[C@H]1C[C@H](NC(=O)N2CC[C@@H](O)[C@H]2c2ccc(Br)cc2)CN1Cc1ccccc1 ZINC001312256534 1069815419 /nfs/dbraw/zinc/81/54/19/1069815419.db2.gz VPHBCNIODQHKIA-FBEWHJACSA-N 0 3 458.400 3.929 20 0 JHADHN CCCN1CCCC[C@@H]1Cn1c([C@H]2CCCOC2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 ZINC001307058992 1069841383 /nfs/dbraw/zinc/84/13/83/1069841383.db2.gz RRHBKFXPJASJCZ-RBUKOAKNSA-N 0 3 471.568 3.784 20 0 JHADHN CCCN1CCCC[C@H]1Cn1c(-c2c[nH]c3ccccc23)nnc1N(C)[C@@H](C)CS(C)(=O)=O ZINC001307063232 1069861736 /nfs/dbraw/zinc/86/17/36/1069861736.db2.gz OBDITBBKAUUPLA-OALUTQOASA-N 0 3 472.659 3.560 20 0 JHADHN CCOc1ccccc1OCc1nnc(N2CCO[C@H](C(C)C)C2)n1CCN1CCCCC1 ZINC001314224338 1069884491 /nfs/dbraw/zinc/88/44/91/1069884491.db2.gz ALFRWNXLBMYCJZ-QHCPKHFHSA-N 0 3 457.619 3.603 20 0 JHADHN CCOc1ncccc1Cn1c(N2CCN(CCN(C)Cc3ccccc3)CC2)nnc1C(C)(C)C ZINC001314232786 1069923155 /nfs/dbraw/zinc/92/31/55/1069923155.db2.gz KPILTOSBKHAEHH-UHFFFAOYSA-N 0 3 491.684 3.672 20 0 JHADHN CCOC(=O)c1sc([C@@H]2CCN(C(=O)N[C@@H]3CN(Cc4ccccc4)C[C@H]3C)C2)nc1C ZINC001312458653 1069951632 /nfs/dbraw/zinc/95/16/32/1069951632.db2.gz YRZILSLSDNTPDE-NSISKUIASA-N 0 3 456.612 3.648 20 0 JHADHN O=C(NCc1cc(-c2ccc(F)cc2F)on1)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC001312501404 1069976446 /nfs/dbraw/zinc/97/64/46/1069976446.db2.gz UTJDDWYBIRJENF-FQEVSTJZSA-N 0 3 456.493 3.710 20 0 JHADHN CCOc1ccc(NC(=O)CN2C[C@@H](C)CCC[C@@H]2C)cc1S(=O)(=O)N1CCCCC1 ZINC001307478923 1070007183 /nfs/dbraw/zinc/00/71/83/1070007183.db2.gz MKCAAAWMUGQAKI-OALUTQOASA-N 0 3 451.633 3.709 20 0 JHADHN CN(CC1(c2ccc(Br)cc2)CC1)[C@H]1CN(C(=O)OCc2ccccc2)C[C@H]1O ZINC001307485218 1070011383 /nfs/dbraw/zinc/01/13/83/1070011383.db2.gz DGQWWVYIEUOJTG-LEWJYISDSA-N 0 3 459.384 3.794 20 0 JHADHN CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N1CCC[C@@H](CNC(=O)c2ccccc2)C1 ZINC001312558988 1070013773 /nfs/dbraw/zinc/01/37/73/1070013773.db2.gz YIFHTBOKGDZLFN-ZCYQVOJMSA-N 0 3 450.627 3.995 20 0 JHADHN CCOc1ccc(/C=C2/SC(=O)N(CCNC(=O)CN3CC[C@@H](CC(C)C)C3)C2=O)cc1 ZINC001307505213 1070022315 /nfs/dbraw/zinc/02/23/15/1070022315.db2.gz CMHIRILCHDPLLL-ORTNRGLGSA-N 0 3 459.612 3.606 20 0 JHADHN CCCN(CC(=O)NC(=O)Nc1ccc2c(c1)OCCO2)[C@H]1C[C@@H](OCC)C12CCCCC2 ZINC001307505289 1070022366 /nfs/dbraw/zinc/02/23/66/1070022366.db2.gz YWQHWOQHOPUXJU-FCHUYYIVSA-N 0 3 459.587 3.946 20 0 JHADHN CN(C)CCN(Cc1ccc(F)cc1F)C(=O)N[C@H](Cn1ccccc1=O)c1ccccc1 ZINC001312587519 1070032129 /nfs/dbraw/zinc/03/21/29/1070032129.db2.gz XZPNATLBINNLIR-HSZRJFAPSA-N 0 3 454.521 3.641 20 0 JHADHN CCN(CC(=O)NCCOc1cccc(F)c1)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC001307528608 1070036586 /nfs/dbraw/zinc/03/65/86/1070036586.db2.gz IPTPLLNCRUZFJK-UHFFFAOYSA-N 0 3 457.594 3.533 20 0 JHADHN CCCNc1ccc(CNC(=O)N2CCC[C@H](CN3CCN(c4ccccn4)CC3)C2)cc1 ZINC001312646273 1070060406 /nfs/dbraw/zinc/06/04/06/1070060406.db2.gz JCPAPKZUESJAQH-HSZRJFAPSA-N 0 3 450.631 3.647 20 0 JHADHN CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)N(CC(=O)Nc2cc(C(=O)OC)ccc2C)[C@H]2CCCC[C@H]12 ZINC001307576497 1070061407 /nfs/dbraw/zinc/06/14/07/1070061407.db2.gz MRADGZOHLWOHRW-BDIVZWSOSA-N 0 3 457.615 3.904 20 0 JHADHN C[C@@H](NC(=O)N(CCO)Cc1cc(Br)ccc1F)[C@@H](c1ccccc1)N(C)C ZINC001312661894 1070069274 /nfs/dbraw/zinc/06/92/74/1070069274.db2.gz UBTPMNZOJUBUKZ-QRWLVFNGSA-N 0 3 452.368 3.784 20 0 JHADHN C[C@H](NC(=O)N1CCCCC[C@H]1c1noc(-c2cnn(C)c2)n1)[C@H](c1ccccc1)N(C)C ZINC001312658064 1070067005 /nfs/dbraw/zinc/06/70/05/1070067005.db2.gz CBUFTNZQVPGAEX-DZFGPLHGSA-N 0 3 451.575 3.788 20 0 JHADHN Cc1ccc(NC(=O)CN[C@@]2(C)CCCc3ccccc32)cc1S(=O)(=O)N1CCCCC1 ZINC001307607601 1070078978 /nfs/dbraw/zinc/07/89/78/1070078978.db2.gz KWLCBERXAZWPOY-VWLOTQADSA-N 0 3 455.624 3.949 20 0 JHADHN CC[C@@H](C)N[C@@H](CNC(=O)N1CCN(C(=O)C(F)(F)F)C2(CCCCC2)C1)c1ccco1 ZINC001312680760 1070079354 /nfs/dbraw/zinc/07/93/54/1070079354.db2.gz RBPMFSVPEBNIMH-SJORKVTESA-N 0 3 458.525 3.828 20 0 JHADHN C[C@H](N[C@H]1CCN(CC(=O)OC(C)(C)C)C1=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC001307624424 1070086964 /nfs/dbraw/zinc/08/69/64/1070086964.db2.gz YLGNBQQCOBKMRT-KKSFZXQISA-N 0 3 455.530 3.671 20 0 JHADHN C[C@H](N[C@@H]1CCN(CC(=O)OC(C)(C)C)C1=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC001307624421 1070087031 /nfs/dbraw/zinc/08/70/31/1070087031.db2.gz YLGNBQQCOBKMRT-HRAATJIYSA-N 0 3 455.530 3.671 20 0 JHADHN Cc1ccccc1[C@H](NCC(=O)N1CCCc2cc(S(=O)(=O)N(C)C)ccc21)C(C)(C)C ZINC001307626999 1070088516 /nfs/dbraw/zinc/08/85/16/1070088516.db2.gz PTQYQYPQYLDYBL-DEOSSOPVSA-N 0 3 457.640 3.902 20 0 JHADHN CC(=O)Nc1ccc(CN2CCC(NC(=O)N3CCO[C@@](C)(c4ccccc4)C3)CC2)cc1 ZINC001312717253 1070092945 /nfs/dbraw/zinc/09/29/45/1070092945.db2.gz VURYBMOVOBEEKC-AREMUKBSSA-N 0 3 450.583 3.567 20 0 JHADHN C[C@H](c1ccccc1F)N1CCC[C@H](NC(=O)N[C@@]2(C)CCN(Cc3ccccc3)C2)C1=O ZINC001312750539 1070102594 /nfs/dbraw/zinc/10/25/94/1070102594.db2.gz XHLOONNNTLBKHH-BLFHIAQRSA-N 0 3 452.574 3.842 20 0 JHADHN Cc1cccc(CN(CCN(C)C)C(=O)N[C@H]2CCCN([C@@H](C)c3ccc(F)cc3)C2=O)c1 ZINC001312758299 1070107693 /nfs/dbraw/zinc/10/76/93/1070107693.db2.gz UQXWDXKNUCLDNU-RDPSFJRHSA-N 0 3 454.590 3.960 20 0 JHADHN CCOCc1nnc(N2CCC(=Cc3cccc(OC)c3)CC2)n1C[C@@H](C)N1CCN(CC)CC1 ZINC001314323991 1070109571 /nfs/dbraw/zinc/10/95/71/1070109571.db2.gz AJIIBSWAOXZZKZ-JOCHJYFZSA-N 0 3 482.673 3.533 20 0 JHADHN Cc1nn(CCS(C)(=O)=O)c(C)c1CN[C@@](C)(c1ccc(Br)cc1)C(C)C ZINC001307686051 1070124768 /nfs/dbraw/zinc/12/47/68/1070124768.db2.gz ZZSVUDRYKBCPMB-HXUWFJFHSA-N 0 3 456.450 3.968 20 0 JHADHN CNC(=O)[C@H]1CCC[C@H]1NCC(=O)Nc1cc(-c2cc(C)c(C)cc2C)nn1-c1ccccc1 ZINC001307682142 1070122967 /nfs/dbraw/zinc/12/29/67/1070122967.db2.gz HBKINUXSEIJKCY-JTHBVZDNSA-N 0 3 459.594 3.907 20 0 JHADHN CC(C)Oc1ccc([C@@H](CNC(=O)N(C)Cc2ccccc2N2CCOCC2)N(C)C)cc1 ZINC001312806400 1070133954 /nfs/dbraw/zinc/13/39/54/1070133954.db2.gz QBOBOWKVJXFPOS-RUZDIDTESA-N 0 3 454.615 3.755 20 0 JHADHN C[C@@H]1[C@@H](NC(=O)N[C@@H](CCO)c2cccc(OC(F)(F)F)c2)CCN1Cc1ccccc1 ZINC001312815625 1070138713 /nfs/dbraw/zinc/13/87/13/1070138713.db2.gz MLQRAXPCECRBMN-CZAAIQMYSA-N 0 3 451.489 3.971 20 0 JHADHN O=C(CN[C@]1(Cc2ccc(Cl)cc2)CCOC1)Nc1ccccc1C(=O)NC1CCCC1 ZINC001307712737 1070139695 /nfs/dbraw/zinc/13/96/95/1070139695.db2.gz NAVOUGJAKRCVLX-VWLOTQADSA-N 0 3 455.986 3.942 20 0 JHADHN CCOCc1nnc(N2CC[C@H](CN(C)C(=O)OC(C)(C)C)C2)n1C[C@@H](c1ccccc1)N(C)C ZINC001314342641 1070144053 /nfs/dbraw/zinc/14/40/53/1070144053.db2.gz WCNYQHWMTUTBIF-IRLDBZIGSA-N 0 3 486.661 3.811 20 0 JHADHN COc1ccccc1[C@@H](CO)NC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC001312838033 1070148163 /nfs/dbraw/zinc/14/81/63/1070148163.db2.gz DESGCSJSRKEXIZ-ISJGIBHGSA-N 0 3 463.553 3.835 20 0 JHADHN COCCN(C(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1cccc(F)c1)C1CCOCC1 ZINC001312839210 1070148843 /nfs/dbraw/zinc/14/88/43/1070148843.db2.gz LFGNWFJUQKRMNH-LOSJGSFVSA-N 0 3 455.574 3.631 20 0 JHADHN CCOC(=O)C[C@@H]1CCCC[C@@]1(O)CN1CCN(Cc2cc(Br)ccc2F)CC1 ZINC001307725741 1070150245 /nfs/dbraw/zinc/15/02/45/1070150245.db2.gz YLXGOYNPDIJPST-PGRDOPGGSA-N 0 3 471.411 3.580 20 0 JHADHN CN(C)CCN(CCc1ccccc1)C(=O)N[C@@H]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC001312841317 1070150478 /nfs/dbraw/zinc/15/04/78/1070150478.db2.gz OJVYMUBBVMPUQY-RJGXRXQPSA-N 0 3 458.647 3.838 20 0 JHADHN CCOCc1nnc(N2CCc3c(cc[nH]c3=O)C2)n1C[C@@H](c1ccsc1)N(CC)CC ZINC001314354005 1070174595 /nfs/dbraw/zinc/17/45/95/1070174595.db2.gz CNCBDDLGPXZSKX-FQEVSTJZSA-N 0 3 456.616 3.623 20 0 JHADHN COc1cc(CNC(=O)N(Cc2ccco2)C2CCN(C)CC2)c(Br)cc1O ZINC001312967265 1070203226 /nfs/dbraw/zinc/20/32/26/1070203226.db2.gz RHFZHQZQESODGV-UHFFFAOYSA-N 0 3 452.349 3.562 20 0 JHADHN C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)NCC2CCN(Cc3ccncc3)CC2)C1 ZINC001312971700 1070204466 /nfs/dbraw/zinc/20/44/66/1070204466.db2.gz AZSROJNIQTWHOI-DENIHFKCSA-N 0 3 459.635 3.628 20 0 JHADHN CC(C)(C)OC(=O)N1CC[C@H](NCC(=O)NCCc2ccc(OC(F)(F)F)cc2)C1(C)C ZINC001307843626 1070208904 /nfs/dbraw/zinc/20/89/04/1070208904.db2.gz HVRCPEFTNZYJLH-KRWDZBQOSA-N 0 3 459.509 3.622 20 0 JHADHN CC[C@H](NCC(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1N(C)C)c1ccccc1 ZINC001307850181 1070210364 /nfs/dbraw/zinc/21/03/64/1070210364.db2.gz SFTXLBDYULZRKT-NRFANRHFSA-N 0 3 458.628 3.607 20 0 JHADHN CCOCc1nnc(N2CCCN(c3nc(C)ns3)CC2)n1C[C@@H](c1ccc(CC)cc1)N(C)C ZINC001314375678 1070214511 /nfs/dbraw/zinc/21/45/11/1070214511.db2.gz SIHUUNRAUIBYNM-QFIPXVFZSA-N 0 3 498.701 3.557 20 0 JHADHN CC(C)N(CC(=O)Nc1sc2c(c1C(N)=O)CCCC2)[C@H]1CCN(Cc2ccccc2)C1 ZINC001307870322 1070217829 /nfs/dbraw/zinc/21/78/29/1070217829.db2.gz MPFWPEOUUSPANG-IBGZPJMESA-N 0 3 454.640 3.649 20 0 JHADHN CC(C)(C)OC(=O)N[C@@H]1C[C@H](N[C@@H]2CCN(c3cccc(Br)c3)C2=O)C1(C)C ZINC001307888875 1070226727 /nfs/dbraw/zinc/22/67/27/1070226727.db2.gz YWVBKNADWSAGNZ-IXDOHACOSA-N 0 3 452.393 3.836 20 0 JHADHN CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)N[C@@H]1CCN(C2CCCCC2)C1=O ZINC001313048168 1070235467 /nfs/dbraw/zinc/23/54/67/1070235467.db2.gz PCNPGRXCTKKKDY-HXUWFJFHSA-N 0 3 454.537 3.712 20 0 JHADHN CC(C)(C)OC(=O)N1CC[C@H](c2ccccc2)[C@H](NCC(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC001307918167 1070240378 /nfs/dbraw/zinc/24/03/78/1070240378.db2.gz CYOADIYXALFVJW-WIYYLYMNSA-N 0 3 465.554 3.590 20 0 JHADHN CNC(=O)[C@H](NC(=O)CNC1(c2ccc(Br)cc2)CCCCC1)c1ccccc1 ZINC001307922830 1070243975 /nfs/dbraw/zinc/24/39/75/1070243975.db2.gz BHAFSAQSGPGZMZ-OAQYLSRUSA-N 0 3 458.400 3.802 20 0 JHADHN CCOCc1nnc(N2CCN(C3CCOCC3)C[C@H]2C)n1C[C@@H](CC)Oc1ccccc1F ZINC001314394019 1070251528 /nfs/dbraw/zinc/25/15/28/1070251528.db2.gz LPJQVLCBNFLWOB-TZIWHRDSSA-N 0 3 475.609 3.501 20 0 JHADHN C[C@@H](C(=O)N1CCc2sccc2C1)N1CCC([C@@H]2CCCN(C(=O)C(F)(F)F)C2)CC1 ZINC001307942428 1070252451 /nfs/dbraw/zinc/25/24/51/1070252451.db2.gz WFZJSRZNKLLVLI-DOTOQJQBSA-N 0 3 457.562 3.534 20 0 JHADHN CN(C)C[C@H](NC(=O)N[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O)c1ccc(F)cc1 ZINC001313140358 1070266727 /nfs/dbraw/zinc/26/67/27/1070266727.db2.gz URKKEGRILNROSS-MOPGFXCFSA-N 0 3 452.452 3.552 20 0 JHADHN CC(C)(C)OC(=O)N1CCC[C@@](O)(CN2CCN(Cc3cccc4cccnc43)CC2)CC1 ZINC001308004764 1070276649 /nfs/dbraw/zinc/27/66/49/1070276649.db2.gz YLPIFETZKWNUPW-SANMLTNESA-N 0 3 454.615 3.505 20 0 JHADHN COc1ccc(C)cc1CN1CCN(C(=O)NC[C@@H]2CCCCN2Cc2ccccc2)CC1 ZINC001313171760 1070279646 /nfs/dbraw/zinc/27/96/46/1070279646.db2.gz ZPHWNFHQQDQMBZ-VWLOTQADSA-N 0 3 450.627 3.886 20 0 JHADHN CN(C)CCN(Cc1cccc(Cl)c1)C(=O)NCC1(n2cc(Br)cn2)CC1 ZINC001313250880 1070305220 /nfs/dbraw/zinc/30/52/20/1070305220.db2.gz FBWCGXCZODZIBL-UHFFFAOYSA-N 0 3 454.800 3.562 20 0 JHADHN COc1ccc(CN2CCCN(C(=O)CN[C@H](C)c3cc(Cl)cc4c3OCC4)CC2)cc1 ZINC001308103132 1070312281 /nfs/dbraw/zinc/31/22/81/1070312281.db2.gz DLIKPRBNBAPNBM-GOSISDBHSA-N 0 3 458.002 3.669 20 0 JHADHN O=C(CCN1CCC(OCc2ccc(Br)cc2)CC1)NCC(=O)c1ccccc1 ZINC001308164921 1070333256 /nfs/dbraw/zinc/33/32/56/1070333256.db2.gz JKZMQMNOROKJHA-UHFFFAOYSA-N 0 3 459.384 3.819 20 0 JHADHN COc1ccc(CN(C)C(=O)[C@@H](C)N(C)CC2CCN(C(=O)OC(C)(C)C)CC2)cc1F ZINC001308167508 1070334245 /nfs/dbraw/zinc/33/42/45/1070334245.db2.gz SUXDACTYWZDTBK-QGZVFWFLSA-N 0 3 451.583 3.760 20 0 JHADHN O[C@H](CNCc1ccc(I)s1)COc1ccc(C(F)(F)F)cc1 ZINC001308224711 1070342535 /nfs/dbraw/zinc/34/25/35/1070342535.db2.gz BXYGOWMVUUOQBW-LLVKDONJSA-N 0 3 457.255 3.901 20 0 JHADHN CN1CCN(c2cccc(Cl)c2CNC[C@H](O)COc2ccc(C(F)(F)F)cc2)CC1 ZINC001308226468 1070343624 /nfs/dbraw/zinc/34/36/24/1070343624.db2.gz SZNURKADUUYIQC-KRWDZBQOSA-N 0 3 457.924 3.640 20 0 JHADHN O[C@H](CNCc1ccsc1C(F)(F)F)COc1ccc(I)cc1 ZINC001308244260 1070344863 /nfs/dbraw/zinc/34/48/63/1070344863.db2.gz LULHJIJUHDPXPB-GFCCVEGCSA-N 0 3 457.255 3.901 20 0 JHADHN CCOCCCCn1c(-c2cccc(Br)c2)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001314451252 1070348408 /nfs/dbraw/zinc/34/84/08/1070348408.db2.gz KBACFRYXUUOIGE-LJQANCHMSA-N 0 3 492.462 3.683 20 0 JHADHN O=S(=O)(c1ccc(CCNCc2ccnn2CCc2ccccc2)s1)N1CCCCC1 ZINC001308288450 1070352019 /nfs/dbraw/zinc/35/20/19/1070352019.db2.gz XGZYVPLHSIXPLG-UHFFFAOYSA-N 0 3 458.653 3.694 20 0 JHADHN CCOCCCn1c(-c2ccccc2Cl)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC001314458579 1070360402 /nfs/dbraw/zinc/36/04/02/1070360402.db2.gz DTOLGIHNOATMJF-FQEVSTJZSA-N 0 3 461.054 3.630 20 0 JHADHN Cc1ccc(-c2ncc(CN[C@H](C(=O)N(C)Cc3nnc4n3CCC4)C(C)C)s2)cc1C ZINC001308389672 1070366632 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CC[S@](=O)CCn1c(-c2ccc(Br)cc2)nnc1N1CC[C@@H](N2CCCCC2)C1 ZINC001314564172 1070567532 /nfs/dbraw/zinc/56/75/32/1070567532.db2.gz ORXWRONCPMWTEQ-XBBWARJSSA-N 0 3 480.476 3.541 20 0 JHADHN COC(=O)c1cc(S(=O)(=O)N(C)[C@H]2CCN(Cc3ccccc3)[C@H](C)C2)ccc1Cl ZINC001309203255 1070604723 /nfs/dbraw/zinc/60/47/23/1070604723.db2.gz WCEDXVMIGPJSOG-AEFFLSMTSA-N 0 3 450.988 3.800 20 0 JHADHN CCS[C@H]1CCCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCN(C)C2CCCCC2)C1 ZINC001314603596 1070658625 /nfs/dbraw/zinc/65/86/25/1070658625.db2.gz MBPCCJIIYFJKIT-CTNGQTDRSA-N 0 3 483.748 3.557 20 0 JHADHN CCN(C)c1nnc(CSc2ccc(Cl)cc2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001313571529 1070685303 /nfs/dbraw/zinc/68/53/03/1070685303.db2.gz XWINGFUUZSTZGQ-IBGZPJMESA-N 0 3 465.067 3.623 20 0 JHADHN CCN(c1nnc(-c2cc(C)nc3ccccc32)n1C[C@@H](CC(C)C)N(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC001313582638 1070704011 /nfs/dbraw/zinc/70/40/11/1070704011.db2.gz ORMKJRWAVLWQEC-NHCUHLMSSA-N 0 3 498.697 3.791 20 0 JHADHN CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@@H]1CN(Cc2ccccc2)CCCO1)C(C)C ZINC001313583548 1070706046 /nfs/dbraw/zinc/70/60/46/1070706046.db2.gz VVEPXWKJHUZRTB-RPLLCQBOSA-N 0 3 485.673 3.845 20 0 JHADHN CCN(c1nnc(-c2cccc(Cl)c2)n1CCCN1CCCC[C@@H]1C)[C@H]1CCS(=O)(=O)C1 ZINC001313583674 1070706806 /nfs/dbraw/zinc/70/68/06/1070706806.db2.gz INBVLBDHCDXISY-RXVVDRJESA-N 0 3 480.078 3.876 20 0 JHADHN CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H]1CCCN(CC(C)C)C1)[C@H](C)C1CCC1 ZINC001313603030 1070726392 /nfs/dbraw/zinc/72/63/92/1070726392.db2.gz DWVOCEAZQUAUDO-KCZVDYSFSA-N 0 3 465.708 3.563 20 0 JHADHN CCN(c1nnc(Cc2ccc(Cl)cc2)n1CC[C@H](C)N1CCCCC1)[C@H]1CCS(=O)(=O)C1 ZINC001313608545 1070732701 /nfs/dbraw/zinc/73/27/01/1070732701.db2.gz CFGVYGSVMZPQHF-UGKGYDQZSA-N 0 3 494.105 3.800 20 0 JHADHN CCN(c1nnc(Cc2ccc(Cl)cc2)n1CC[C@@H](C)N1CCCCC1)[C@H]1CCS(=O)(=O)C1 ZINC001313608542 1070732750 /nfs/dbraw/zinc/73/27/50/1070732750.db2.gz CFGVYGSVMZPQHF-KNQAVFIVSA-N 0 3 494.105 3.800 20 0 JHADHN CN(C)C(=O)c1cccc(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCN(C(C)(C)C)CC2)c1 ZINC001314631432 1070733008 /nfs/dbraw/zinc/73/30/08/1070733008.db2.gz RLWHRGRFCOQMRS-DHIUTWEWSA-N 0 3 496.700 3.867 20 0 JHADHN CN(C)[C@H](Cn1c(-c2ccc[nH]2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1)c1cccc(F)c1 ZINC001314648478 1070752388 /nfs/dbraw/zinc/75/23/88/1070752388.db2.gz GCOORLSKQCBLQB-RBBKRZOGSA-N 0 3 481.620 3.846 20 0 JHADHN CCN(c1nnc([C@H]2OCC[C@H]2COC)n1CC1(N2CCSCC2)CCCC1)C(C)C ZINC001313623649 1070752564 /nfs/dbraw/zinc/75/25/64/1070752564.db2.gz NAFAZNXJTYOSPT-PMACEKPBSA-N 0 3 451.681 3.598 20 0 JHADHN CN(C)[C@@H](Cn1c(-c2cccn2C)nnc1N1CCC(O)(C(F)(F)F)CC1)c1cccs1 ZINC001314648748 1070752983 /nfs/dbraw/zinc/75/29/83/1070752983.db2.gz OUWHZDIAAGMVFP-INIZCTEOSA-N 0 3 468.549 3.542 20 0 JHADHN CN(C)[C@H](Cn1c(-c2ccccn2)nnc1N1CCC(O)(C(F)(F)F)CC1)c1cccs1 ZINC001314649483 1070756179 /nfs/dbraw/zinc/75/61/79/1070756179.db2.gz WEXQNGOPOZWFQP-MRXNPFEDSA-N 0 3 466.533 3.598 20 0 JHADHN 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CCN1C[C@H](C)N(c2nnc(-c3cnn(C)c3)n2CCc2ccc(Br)s2)C[C@@H]1C ZINC001313866847 1071396377 /nfs/dbraw/zinc/39/63/77/1071396377.db2.gz QZQLGUJFKKAJJJ-GJZGRUSLSA-N 0 3 478.464 3.664 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(CCc3ccc(OC)cc3)n2Cc2nccc(C(F)F)n2)C[C@@H]1C ZINC001313866987 1071397453 /nfs/dbraw/zinc/39/74/53/1071397453.db2.gz HWVVVIZQTQWAPI-ROUUACIJSA-N 0 3 485.583 3.767 20 0 JHADHN CCN1C[C@H](C)N(c2nnc([C@H]3CCCOC3)n2Cc2cc(Cl)c(OC)c(OC)c2)C[C@@H]1C ZINC001313867409 1071400002 /nfs/dbraw/zinc/40/00/02/1071400002.db2.gz KGAZRQZGGZYCEU-LNLFQRSKSA-N 0 3 478.037 3.810 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(-c3ccc(OC)cc3OC)n2CCc2nccs2)C[C@H]1C ZINC001313867592 1071400890 /nfs/dbraw/zinc/40/08/90/1071400890.db2.gz MKXOIUSLUJZZPH-IAGOWNOFSA-N 0 3 456.616 3.580 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@@H]2C[C@H]2C)C[C@H]1C ZINC001313868678 1071405599 /nfs/dbraw/zinc/40/55/99/1071405599.db2.gz NAIXIAAWWBYISG-BNDYYXHWSA-N 0 3 460.667 3.968 20 0 JHADHN CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@H](c1cccs1)N(C)C ZINC001314946600 1071405676 /nfs/dbraw/zinc/40/56/76/1071405676.db2.gz UIELTTKVTPGZPE-MAUKXSAKSA-N 0 3 491.061 3.790 20 0 JHADHN CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@H](c1cccs1)N(C)C ZINC001314946599 1071405733 /nfs/dbraw/zinc/40/57/33/1071405733.db2.gz UIELTTKVTPGZPE-CRAIPNDOSA-N 0 3 491.061 3.790 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(Cc3ccccc3OC)n2C[C@@H]2CCO[C@@H]2C(C)C)C[C@H]1C ZINC001313868165 1071403244 /nfs/dbraw/zinc/40/32/44/1071403244.db2.gz BCGKBUZUPKZWHU-QIRSKFFZSA-N 0 3 455.647 3.858 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CCC2(O)CCC2)C[C@H]1C ZINC001313869721 1071410322 /nfs/dbraw/zinc/41/03/22/1071410322.db2.gz PUQDYLQXQJXCJT-WOJBJXKFSA-N 0 3 490.693 3.617 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(Cc3csc(C)n3)n2Cc2ccc(C)cc2OC)C[C@H]1C ZINC001313869422 1071408464 /nfs/dbraw/zinc/40/84/64/1071408464.db2.gz PRPDWMJEZRSAGH-QZTJIDSGSA-N 0 3 454.644 3.918 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3ccccn3)n2C[C@](O)(c2ccccc2)C(F)(F)F)C[C@H]1C ZINC001313870002 1071411551 /nfs/dbraw/zinc/41/15/51/1071411551.db2.gz DQPMYVGHBNVHSL-STSQHVNTSA-N 0 3 474.531 3.709 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3cccnc3)n2CC2CCN(CC(F)(F)F)CC2)C[C@H]1C ZINC001313870896 1071415856 /nfs/dbraw/zinc/41/58/56/1071415856.db2.gz FXPVRXPFIDLOHS-MSOLQXFVSA-N 0 3 465.568 3.533 20 0 JHADHN CCN1C[C@H](C)N(c2nnc([C@@H]3CCOC3)n2Cc2cc(Br)ccc2OC)C[C@@H]1C ZINC001313871851 1071418323 /nfs/dbraw/zinc/41/83/23/1071418323.db2.gz UAGVGPCBOWSVMD-YESZJQIVSA-N 0 3 478.435 3.520 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3ccc(F)cc3Br)n2CCc2ccn(C)n2)C[C@H]1C ZINC001313872421 1071421013 /nfs/dbraw/zinc/42/10/13/1071421013.db2.gz XHFGRAYTEGYACE-CVEARBPZSA-N 0 3 490.425 3.742 20 0 JHADHN CCN1C[C@H](C)N(c2nnc([C@@H]3CCOC3)n2CCc2ccccc2C(F)(F)F)C[C@H]1C ZINC001313872571 1071422097 /nfs/dbraw/zinc/42/20/97/1071422097.db2.gz WWAGIIUJTAERET-ZIFCJYIRSA-N 0 3 451.537 3.962 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(CNC(=O)c3cccs3)n2C[C@@H](C)c2ccccc2)C[C@@H]1C ZINC001313873512 1071425677 /nfs/dbraw/zinc/42/56/77/1071425677.db2.gz CSRUPFZXMQRLTB-AABGKKOBSA-N 0 3 466.655 3.992 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(OC(F)F)cc2)C[C@@H]1C ZINC001313874037 1071426984 /nfs/dbraw/zinc/42/69/84/1071426984.db2.gz FYQNTZJQDAMGST-OALUTQOASA-N 0 3 473.572 3.708 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(CNC(=O)c3cccs3)n2CC2(CCOC)CCCC2)C[C@H]1C ZINC001313874527 1071428966 /nfs/dbraw/zinc/42/89/66/1071428966.db2.gz IOZMVNLPZYMETF-WOJBJXKFSA-N 0 3 488.702 3.785 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(Cc3c(F)cccc3F)n2CCCOCC2CCOCC2)C[C@@H]1C ZINC001313875370 1071433798 /nfs/dbraw/zinc/43/37/98/1071433798.db2.gz QEPVESXYBAFNBR-PMACEKPBSA-N 0 3 491.627 3.899 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(COc3cccc(C)c3)n2CCCNc2ccccn2)C[C@H]1C ZINC001313874687 1071429662 /nfs/dbraw/zinc/42/96/62/1071429662.db2.gz JLTPLORIKACYMF-YADHBBJMSA-N 0 3 463.630 3.982 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3ccccn3)n2C[C@](C)(O)c2ccccc2Cl)C[C@H]1C ZINC001313876589 1071438364 /nfs/dbraw/zinc/43/83/64/1071438364.db2.gz UIOKWUZGGWLTCR-YTZAWJCFSA-N 0 3 455.006 3.820 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3ccccn3)n2CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)C[C@H]1C ZINC001313876619 1071439348 /nfs/dbraw/zinc/43/93/48/1071439348.db2.gz VAGKVGQFNLYEHQ-HKBOAZHASA-N 0 3 483.661 3.906 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(Cn3nc(C)cc3C)n2CCOc2cccc(Cl)c2)C[C@@H]1C ZINC001313875548 1071435469 /nfs/dbraw/zinc/43/54/69/1071435469.db2.gz MSDIELQOLCNZLM-PMACEKPBSA-N 0 3 472.037 3.791 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(Cc3ccncc3)n2Cc2cc(Cl)ccc2OC)C[C@@H]1C ZINC001313877419 1071441649 /nfs/dbraw/zinc/44/16/49/1071441649.db2.gz TYFWHRZKNBDFBT-ZWKOTPCHSA-N 0 3 455.006 3.893 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3cccnc3)n2C[C@@H]2[C@H](C)CCN2C(=O)OC(C)(C)C)C[C@@H]1C ZINC001313877932 1071443782 /nfs/dbraw/zinc/44/37/82/1071443782.db2.gz XWBVWOKYCJNIAO-FCIYXJNOSA-N 0 3 483.661 3.905 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(Cc3cccnc3)n2CCc2nc(C(F)(F)F)cs2)C[C@@H]1C ZINC001313878709 1071445299 /nfs/dbraw/zinc/44/52/99/1071445299.db2.gz XPHWWLQWJGRUJF-HOTGVXAUSA-N 0 3 479.576 3.901 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(Cn3nc(C)cc3C)n2CCCOc2ccc(OC)cc2)C[C@@H]1C ZINC001313878786 1071445888 /nfs/dbraw/zinc/44/58/88/1071445888.db2.gz VRLKIABPQCJTDN-VXKWHMMOSA-N 0 3 481.645 3.536 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(Cn3nc(C)cc3C)n2Cc2nc(C(C)C)cs2)C[C@H]1C ZINC001313877051 1071440832 /nfs/dbraw/zinc/44/08/32/1071440832.db2.gz QXMSOHNMXQAINA-RTBURBONSA-N 0 3 456.664 3.687 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc([C@H]3CCCO3)n2CCOc2cccc(C(F)(F)F)n2)C[C@H]1C ZINC001313882748 1071459056 /nfs/dbraw/zinc/45/90/56/1071459056.db2.gz GYZUMZLFHGGTOJ-BRWVUGGUSA-N 0 3 468.524 3.541 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc([C@H]3OCC[C@H]3COC)n2CCOc2ccc(Cl)cc2)C[C@H]1C ZINC001313884471 1071464287 /nfs/dbraw/zinc/46/42/87/1071464287.db2.gz LVOWUHASYBUPJG-IWQHBPENSA-N 0 3 478.037 3.653 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(CSc3ccc(C)cc3)n2Cc2cnn(CCOC)c2)C[C@@H]1C ZINC001313884837 1071464978 /nfs/dbraw/zinc/46/49/78/1071464978.db2.gz NTEOORKZINZILW-SFTDATJTSA-N 0 3 483.686 3.689 20 0 JHADHN CCn1cccc(Cn2c(CSc3ccccc3OC)nnc2N2C[C@@H](C)N(CC)C[C@@H]2C)c1=O ZINC001313886308 1071469910 /nfs/dbraw/zinc/46/99/10/1071469910.db2.gz RLDUTKZIYJMCFH-UXHICEINSA-N 0 3 496.681 3.728 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(CSc3ccc(C)cc3)n2C[C@H]2NC(=O)CC2(C)C)C[C@H]1C ZINC001313888507 1071475094 /nfs/dbraw/zinc/47/50/94/1071475094.db2.gz WFSSGRBEYUFGLL-SVFBPWRDSA-N 0 3 470.687 3.712 20 0 JHADHN CCN1CC[C@H](Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CC[C@H](C)C(C)(C)C2)C1 ZINC001313889660 1071480743 /nfs/dbraw/zinc/48/07/43/1071480743.db2.gz LIGWWOMTQNLNHT-OALUTQOASA-N 0 3 459.660 3.563 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(CSc3ccccc3OC)n2CCn2ccnc2C)C[C@@H]1C ZINC001313889328 1071479926 /nfs/dbraw/zinc/47/99/26/1071479926.db2.gz XPCGFFYSWXVYIN-RBUKOAKNSA-N 0 3 469.659 3.703 20 0 JHADHN CNC(=O)c1cccc(CCn2c([C@H]3CCCCO3)nnc2N2CCN(CCC(C)(C)C)CC2)c1 ZINC001314980252 1071482108 /nfs/dbraw/zinc/48/21/08/1071482108.db2.gz NQTRKYSSZZHSPA-HSZRJFAPSA-N 0 3 482.673 3.680 20 0 JHADHN CCN1CCC[C@@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@H](OCC(C)C)C1 ZINC001313898042 1071504038 /nfs/dbraw/zinc/50/40/38/1071504038.db2.gz NBOIQDTVIOEHDN-YADHBBJMSA-N 0 3 489.064 3.597 20 0 JHADHN CCN1CCC[C@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@H](OCC(C)C)C1 ZINC001313898039 1071504149 /nfs/dbraw/zinc/50/41/49/1071504149.db2.gz NBOIQDTVIOEHDN-FCHUYYIVSA-N 0 3 489.064 3.597 20 0 JHADHN CNC(=O)CC1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H](c2cccs2)N(C)C)CC1 ZINC001315022272 1071544266 /nfs/dbraw/zinc/54/42/66/1071544266.db2.gz RIZZKMCDSDHMPS-SFHVURJKSA-N 0 3 488.061 3.710 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(-c3cccc(Br)c3)nnc2N2CCC(F)(F)C2)CC1 ZINC001313920548 1071559579 /nfs/dbraw/zinc/55/95/79/1071559579.db2.gz KPIAOGOCKLMBKY-MRXNPFEDSA-N 0 3 483.405 3.579 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(-c3cc(OC)cc(OC)c3)nnc2N2CCC(C(C)C)CC2)CC1 ZINC001313922625 1071564963 /nfs/dbraw/zinc/56/49/63/1071564963.db2.gz XGXONQOEFBDBEF-OAQYLSRUSA-N 0 3 484.689 3.861 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(-c3ccc(OC)c(OC)c3)nnc2N2CC[C@@H](CC(C)C)C2)CC1 ZINC001313923884 1071568970 /nfs/dbraw/zinc/56/89/70/1071568970.db2.gz ACCDKUHUNRFMDP-VXKWHMMOSA-N 0 3 484.689 3.861 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(-c3ccc(OC)cc3)nnc2N2CCCC[C@@H](SC)C2)CC1 ZINC001313925034 1071572207 /nfs/dbraw/zinc/57/22/07/1071572207.db2.gz LIWVEHDABAKMHH-NFBKMPQASA-N 0 3 472.703 3.702 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(-c3ccc(OC)cc3OC)nnc2N2CCCC(C)(C)C2)CC1 ZINC001313924828 1071572261 /nfs/dbraw/zinc/57/22/61/1071572261.db2.gz JLZTWHSPQOPTPZ-FQEVSTJZSA-N 0 3 470.662 3.615 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(COc3cc(C)cc(C)c3)nnc2N2CC(C)(C)OC[C@@H]2C)CC1 ZINC001313926200 1071576100 /nfs/dbraw/zinc/57/61/00/1071576100.db2.gz BLGULLBDZPYVRJ-PKTZIBPZSA-N 0 3 484.689 3.504 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(COc3ccc(C)c(C)c3)nnc2N2CCC[C@@H]2CSC)CC1 ZINC001313926186 1071576241 /nfs/dbraw/zinc/57/62/41/1071576241.db2.gz AZXHDZPBHZQLAF-XZOQPEGZSA-N 0 3 486.730 3.832 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(-c3ccc(Cl)cc3F)nnc2N(C)CCCSC)CC1 ZINC001313926287 1071576408 /nfs/dbraw/zinc/57/64/08/1071576408.db2.gz WSCVTIICZHEKCE-KRWDZBQOSA-N 0 3 469.074 3.953 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(COc3ccc(Cl)cc3)nnc2N(C)CC2CCC2)CC1 ZINC001313927247 1071579305 /nfs/dbraw/zinc/57/93/05/1071579305.db2.gz JNCXAYMNJDKDMU-IBGZPJMESA-N 0 3 461.054 3.773 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCC[C@@H](C)CC2)CC1 ZINC001313927416 1071579929 /nfs/dbraw/zinc/57/99/29/1071579929.db2.gz KRBARURYQVKBJD-KAOXLYBCSA-N 0 3 460.711 3.849 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(COc3cccc(C)c3)nnc2N2CCSC(C)(C)C2)CC1 ZINC001313928299 1071583070 /nfs/dbraw/zinc/58/30/70/1071583070.db2.gz UJBNGZQVAGLVCT-OAQYLSRUSA-N 0 3 472.703 3.523 20 0 JHADHN CCN(Cc1ccc(Cl)s1)c1nnc([C@H]2CCCO2)n1C[C@H](C)N1CCN(CC)CC1 ZINC001313928297 1071583170 /nfs/dbraw/zinc/58/31/70/1071583170.db2.gz UEEUXSHXDUWRTJ-PKOBYXMFSA-N 0 3 467.083 3.897 20 0 JHADHN CCN(c1nnc(COc2ccc(F)cc2)n1C[C@@H](C)N1CCN(CC)CC1)C1CCCC1 ZINC001313928742 1071584517 /nfs/dbraw/zinc/58/45/17/1071584517.db2.gz VXGGSRFTZYMOEI-HXUWFJFHSA-N 0 3 458.626 3.791 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(COc3ccc(C)c(C)c3)nnc2N2CCSC(C)(C)C2)CC1 ZINC001313929066 1071585958 /nfs/dbraw/zinc/58/59/58/1071585958.db2.gz XDXHHADDGFPSJP-JOCHJYFZSA-N 0 3 486.730 3.832 20 0 JHADHN CCN1CCN(C[C@H](C)Cn2c(C(C)C)nnc2N2CCN(c3ccc(C)c(C)c3)CC2)CC1 ZINC001313947854 1071632892 /nfs/dbraw/zinc/63/28/92/1071632892.db2.gz AALHSQLQNIVVLS-QFIPXVFZSA-N 0 3 467.706 3.619 20 0 JHADHN CCN1CCN(C[C@H](C)Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2C[C@H](C)[C@H](C)C2)CC1 ZINC001313950428 1071638048 /nfs/dbraw/zinc/63/80/48/1071638048.db2.gz PGWOFQXUAWMFNX-KJJMTIBFSA-N 0 3 472.653 3.923 20 0 JHADHN CCN1CCN([C@H]2CCN(c3nnc(Cc4csc(C)n4)n3C[C@H](SC)C(C)(C)C)C2)CC1 ZINC001313950557 1071638694 /nfs/dbraw/zinc/63/86/94/1071638694.db2.gz VNVPZFHWMWOIBN-SFTDATJTSA-N 0 3 491.775 3.628 20 0 JHADHN CCN1CCN(C[C@@H](C)Cn2c(C)nnc2N2CCC[C@@H](c3nc(C(C)C)cs3)C2)CC1 ZINC001313950694 1071638851 /nfs/dbraw/zinc/63/88/51/1071638851.db2.gz PXHZIOFSCDUGLV-TZIWHRDSSA-N 0 3 459.708 3.824 20 0 JHADHN CCN1CCN(C[C@H](C)Cn2c([C@H]3CCCO3)nnc2N(C)C[C@@H](C)c2ccccc2)CC1 ZINC001313951029 1071640647 /nfs/dbraw/zinc/64/06/47/1071640647.db2.gz CTCUGPHRZCVRDA-WMTXJRDZSA-N 0 3 454.663 3.643 20 0 JHADHN CCN1CCN([C@@H]2CCN(c3nnc(CCCc4ccccc4)n3CC(C)(C)SC)C2)CC1 ZINC001313951179 1071641174 /nfs/dbraw/zinc/64/11/74/1071641174.db2.gz ZNIIKVVJNSZITE-HSZRJFAPSA-N 0 3 470.731 3.811 20 0 JHADHN CCN1CCN(C[C@@H](C)Cn2c(C(C)C)nnc2N2CCC(c3ccccc3CO)CC2)CC1 ZINC001313951474 1071642336 /nfs/dbraw/zinc/64/23/36/1071642336.db2.gz UIAFHYUDMZBXCK-JOCHJYFZSA-N 0 3 468.690 3.551 20 0 JHADHN CCN1CCN(C[C@@H](C)Cn2c(N3CCC(CO)(Cc4ccccc4)CC3)nnc2C(C)(C)C)CC1 ZINC001313951888 1071643796 /nfs/dbraw/zinc/64/37/96/1071643796.db2.gz MAMZJDGNVNIUOF-XMMPIXPASA-N 0 3 496.744 3.671 20 0 JHADHN CCN1CCN(C[C@H](C)Cn2c(COc3ccc(F)cc3)nnc2N2CCC[C@@H]2C(C)C)CC1 ZINC001313952695 1071646547 /nfs/dbraw/zinc/64/65/47/1071646547.db2.gz UBUJEXVHFNAAES-XUZZJYLKSA-N 0 3 472.653 3.895 20 0 JHADHN CCN1CCN(C[C@@H](C)Cn2c(Cc3ccncc3)nnc2N(C)[C@H](C)c2ccc(F)cc2)CC1 ZINC001313954117 1071650674 /nfs/dbraw/zinc/65/06/74/1071650674.db2.gz APPWQDLYRAEQAU-FGZHOGPDSA-N 0 3 479.648 3.874 20 0 JHADHN CCN1CCN(C[C@H](C)Cn2c(Cc3csc(C)n3)nnc2N2CCC[C@@H](C)CC2)CC1 ZINC001313954573 1071651851 /nfs/dbraw/zinc/65/18/51/1071651851.db2.gz BXOGHWDAHNKYQA-UXHICEINSA-N 0 3 459.708 3.534 20 0 JHADHN CCN1CCN(C[C@H](C)Cn2c(Cc3csc(C)n3)nnc2N(C)Cc2ccsc2)CC1 ZINC001313955764 1071656758 /nfs/dbraw/zinc/65/67/58/1071656758.db2.gz IHXMABXGWSBMIW-SFHVURJKSA-N 0 3 473.716 3.605 20 0 JHADHN 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CC/C=C\Cn1c(-c2ccc(Cl)cc2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 ZINC001306464967 1069002228 /nfs/dbraw/zinc/00/22/28/1069002228.db2.gz NUUSRLILQIHGKJ-JCJKFKTASA-N 0 3 471.049 3.944 20 0 JHADHN CC[C@@H]1CN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H](c2ccc(C)cc2)N(C)C)CCS1 ZINC001306466641 1069005792 /nfs/dbraw/zinc/00/57/92/1069005792.db2.gz OBEJUJDNDMNYGR-BJESRGMDSA-N 0 3 473.687 3.945 20 0 JHADHN Cc1c(I)cccc1NC(=O)N1CC2(CCCC2)OC[C@@H]1CN(C)C ZINC001310538727 1069006308 /nfs/dbraw/zinc/00/63/08/1069006308.db2.gz RBXZQYGFHUPSIX-HNNXBMFYSA-N 0 3 457.356 3.707 20 0 JHADHN CN(C)CCN(Cc1ccc(Br)cc1)C(=O)Nc1cccnc1-c1cnn(C)c1 ZINC001310558458 1069017139 /nfs/dbraw/zinc/01/71/39/1069017139.db2.gz WXWPLUXJUPGTPA-UHFFFAOYSA-N 0 3 457.376 3.840 20 0 JHADHN CC/C=C\Cn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCN(C2CCOCC2)CC1 ZINC001306479024 1069019907 /nfs/dbraw/zinc/01/99/07/1069019907.db2.gz DGJKIHRBCHKBFO-SREVYHEPSA-N 0 3 488.677 3.660 20 0 JHADHN CC/C=C\Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C2CCCC2)CC1 ZINC001306479748 1069020238 /nfs/dbraw/zinc/02/02/38/1069020238.db2.gz RHJVATMXXXRGFT-DFOOEPSASA-N 0 3 474.650 3.617 20 0 JHADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)N[C@@H](c2ccc(C(C)(C)C)cc2)C(F)(F)F)CC1 ZINC001310579451 1069028365 /nfs/dbraw/zinc/02/83/65/1069028365.db2.gz BCRIBQZYCKMBQG-OALUTQOASA-N 0 3 454.537 3.536 20 0 JHADHN CCCC(=O)NC1CCN(c2nnc(Cc3cccnc3)n2C[C@H](c2ccc(C)cc2)N(C)C)CC1 ZINC001306512955 1069110103 /nfs/dbraw/zinc/11/01/03/1069110103.db2.gz RCQZHXLVIAALAR-RUZDIDTESA-N 0 3 489.668 3.760 20 0 JHADHN CCCC(=O)NC[C@@H]1CCCN(c2nnc(-c3cccnc3)n2C[C@@H](c2ccsc2)N(C)C)C1 ZINC001306517399 1069127235 /nfs/dbraw/zinc/12/72/35/1069127235.db2.gz NUYPXWLDGKSDIK-UGKGYDQZSA-N 0 3 481.670 3.837 20 0 JHADHN Cc1csc(N2CCN(C(=O)Nc3cc(Cl)ccc3OC3CCN(C)CC3)CC2)n1 ZINC001310745091 1069147606 /nfs/dbraw/zinc/14/76/06/1069147606.db2.gz GKUXVRZHAAMSOS-UHFFFAOYSA-N 0 3 450.008 3.932 20 0 JHADHN CN(CCNC(=O)C1CCN(C(=O)Nc2nc(C(C)(C)C)cs2)CC1)Cc1ccccc1 ZINC001310746449 1069148263 /nfs/dbraw/zinc/14/82/63/1069148263.db2.gz NFRHQSATPQGYJD-UHFFFAOYSA-N 0 3 457.644 3.933 20 0 JHADHN CCC[C@](C)(O)Cn1c(-c2ccc(CC)cc2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC001306531915 1069172910 /nfs/dbraw/zinc/17/29/10/1069172910.db2.gz WSHDZDNTPYNHKB-SQHAQQRYSA-N 0 3 468.690 3.663 20 0 JHADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)Nc1nnc(Cc2ccc(C(F)(F)F)cc2)s1 ZINC001310878079 1069205217 /nfs/dbraw/zinc/20/52/17/1069205217.db2.gz SBGLUFPFCWETHT-INIZCTEOSA-N 0 3 457.522 3.722 20 0 JHADHN C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)N[C@H](CNC(=O)OC(C)(C)C)C(F)(F)F)C1 ZINC001310938169 1069228165 /nfs/dbraw/zinc/22/81/65/1069228165.db2.gz PODZPRHVGJEWOT-SJLPKXTDSA-N 0 3 458.525 3.606 20 0 JHADHN CCC[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H](c1ccsc1)N(C)C ZINC001306572368 1069239662 /nfs/dbraw/zinc/23/96/62/1069239662.db2.gz BVUMTSBQEPDRNW-DYESRHJHSA-N 0 3 465.631 3.910 20 0 JHADHN CCC[C@H](C)N(C)c1nnc([C@H]2CCCOC2)n1Cc1ccccc1CN1CCC(O)CC1 ZINC001306580702 1069245534 /nfs/dbraw/zinc/24/55/34/1069245534.db2.gz LTVFABXUAMYMAY-REWPJTCUSA-N 0 3 455.647 3.802 20 0 JHADHN CCC[C@@H]1CN(c2nnc(-c3cccn3C)n2Cc2ccc(OC)c(Cl)c2)CCN1CCOC ZINC001306620921 1069308181 /nfs/dbraw/zinc/30/81/81/1069308181.db2.gz KWUIJNSZPKFRTA-HXUWFJFHSA-N 0 3 487.048 3.931 20 0 JHADHN O=C(N[C@H](CN1CCCC1)c1ccccc1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000031145082 563107817 /nfs/dbraw/zinc/10/78/17/563107817.db2.gz AUXAKKVQNNUGAN-HSZRJFAPSA-N 0 3 476.042 3.694 20 0 JHADHN CNC(=O)CN1CCCC12CCN(c1nc(CSC)nc3sc4c(c31)CCCC4)CC2 ZINC001164690226 719741953 /nfs/dbraw/zinc/74/19/53/719741953.db2.gz VWOFROHRPTVWKR-UHFFFAOYSA-N 0 3 459.685 3.614 20 0 JHADHN CNC(=O)CN1CCCC12CCN(c1nc(-c3cccc(Cl)c3)nc3c1CCCC3)CC2 ZINC001164690225 719747754 /nfs/dbraw/zinc/74/77/54/719747754.db2.gz VWCNJBMSMZUNJG-UHFFFAOYSA-N 0 3 454.018 3.857 20 0 JHADHN CCOC(=O)c1ccc(Cl)nc1-c1ccc(F)cc1N1CCN2C[C@H](Oc3cncnc3)C[C@H]2C1 ZINC001164739873 720731136 /nfs/dbraw/zinc/73/11/36/720731136.db2.gz JBYQSEYMKWEUJL-ZWKOTPCHSA-N 0 3 497.958 3.850 20 0 JHADHN Cc1sc2nc(CN3CCCCC3)nc(-n3nc(C(=O)N4CCC[C@@H]4C)c4c3CCNC4)c2c1C ZINC001164850554 720805438 /nfs/dbraw/zinc/80/54/38/720805438.db2.gz JIEHKVGZGOTPFZ-INIZCTEOSA-N 0 3 493.681 3.750 20 0 JHADHN Cn1cc(CN2CC[C@@H]3CN(c4cc(C(=O)Nc5ccc(Cl)nc5)ccc4F)C[C@@H]3C2)cn1 ZINC001164768111 721132631 /nfs/dbraw/zinc/13/26/31/721132631.db2.gz NHAVGCQOIWPMQC-MOPGFXCFSA-N 0 3 468.964 3.818 20 0 JHADHN Cc1sc2nc(CN3CCCC3)nc(N3C[C@H]4CN(Cc5cnn(C)c5)CC[C@@H]4C3)c2c1C ZINC001164771467 721200944 /nfs/dbraw/zinc/20/09/44/721200944.db2.gz QFAHOUXGTOXODX-NHCUHLMSSA-N 0 3 465.671 3.596 20 0 JHADHN Cn1cc(CN2CC[C@@H]3CN(c4nc(-c5cccnc5)nc5sc6c(c54)CCC6)C[C@H]3C2)cn1 ZINC001164765657 721202534 /nfs/dbraw/zinc/20/25/34/721202534.db2.gz IBNBPHPHVGVBOO-WOJBJXKFSA-N 0 3 471.634 3.934 20 0 JHADHN COC(=O)c1ccc2c(c1)nc(Cl)nc2N1CCN2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164903012 721534845 /nfs/dbraw/zinc/53/48/45/721534845.db2.gz BUPHUAOHLFCKLC-WMZOPIPTSA-N 0 3 456.905 3.551 20 0 JHADHN COC(=O)c1c[nH]c2nc(Cl)nc(N3CCC(F)(F)[C@@]4(CCN(Cc5ccccn5)C4)C3)c12 ZINC001164906146 721721914 /nfs/dbraw/zinc/72/19/14/721721914.db2.gz KFWDPSROWMHKBK-OAQYLSRUSA-N 0 3 476.915 3.531 20 0 JHADHN COC(=O)C[C@@H](c1ccnc(N2CCC3(CC2)COCCN(Cc2ccncc2)C3)c1)C1CC1 ZINC001164961471 722059340 /nfs/dbraw/zinc/05/93/40/722059340.db2.gz KNCRGAMLRLJDBH-XMMPIXPASA-N 0 3 464.610 3.652 20 0 JHADHN FC(F)(c1c2c(nnc1Cl)CCC2)N1CCC2(CC1)COCCN(Cc1ccncc1)C2 ZINC001164963283 722059789 /nfs/dbraw/zinc/05/97/89/722059789.db2.gz VLBHJMASNSADNV-UHFFFAOYSA-N 0 3 463.960 3.678 20 0 JHADHN O=C(Nc1cccnc1Cl)OCC(F)(F)N1CCC2(CC1)COCCN(Cc1ccncc1)C2 ZINC001164966258 722062163 /nfs/dbraw/zinc/06/21/63/722062163.db2.gz PFYRJNBSCNMWBK-UHFFFAOYSA-N 0 3 495.958 3.886 20 0 JHADHN FC(F)(c1nc(Cl)c2ccccc2n1)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164980774 722102497 /nfs/dbraw/zinc/10/24/97/722102497.db2.gz KJAGZRHGDCPZGY-YLJYHZDGSA-N 0 3 459.928 3.950 20 0 JHADHN Clc1nc2c(c(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)n1)CN(Cc1ccccc1)C2 ZINC001164982350 722108459 /nfs/dbraw/zinc/10/84/59/722108459.db2.gz NRXCEDHYQXXQIS-RDGATRHJSA-N 0 3 491.039 3.768 20 0 JHADHN FC(F)(c1ccc2ncnc(Cl)c2c1)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164981750 722110812 /nfs/dbraw/zinc/11/08/12/722110812.db2.gz VDCMWIVYCSKZLB-LAUBAEHRSA-N 0 3 459.928 3.950 20 0 JHADHN Fc1cccc(Cn2ccc3c2ncnc3N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164973991 722123675 /nfs/dbraw/zinc/12/36/75/722123675.db2.gz IGSBVGAQEDPANM-WIOPSUGQSA-N 0 3 472.568 3.741 20 0 JHADHN O=C(c1ccccc1)n1ccc2ccc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)nc21 ZINC001164980341 722136423 /nfs/dbraw/zinc/13/64/23/722136423.db2.gz MZBPAKGOWKNOLR-JWQCQUIFSA-N 0 3 467.573 3.847 20 0 JHADHN FC(F)(c1cc(Cl)nc(-c2cccnc2)n1)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164983336 722138458 /nfs/dbraw/zinc/13/84/58/722138458.db2.gz UGTQMLJOAMAVCW-UXHICEINSA-N 0 3 486.954 3.859 20 0 JHADHN FC(F)(c1cccc2c(Cl)ncnc21)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164975168 722144476 /nfs/dbraw/zinc/14/44/76/722144476.db2.gz FAAJJLSSJVNVLL-XLIONFOSSA-N 0 3 459.928 3.950 20 0 JHADHN CCC[C@H]1CN(c2nnc(-c3ccc(OCC)c(OC)c3)n2CCN2CC=CCC2)CCO1 ZINC001306622288 1069312033 /nfs/dbraw/zinc/31/20/33/1069312033.db2.gz JOBTZPNRGDJPCH-NRFANRHFSA-N 0 3 455.603 3.620 20 0 JHADHN CCC[C@@H]1CN(c2nnc(-c3cccc(C)n3)n2C[C@@](C)(O)c2ccsc2)CCN1CCOC ZINC001306622728 1069313349 /nfs/dbraw/zinc/31/33/49/1069313349.db2.gz DBDRSSLLZFQHIR-PXDATVDWSA-N 0 3 484.670 3.555 20 0 JHADHN CCC[C@H]1CN(c2nnc(C3CCCC3)n2Cc2nccn2C(F)F)CCN1CCOC ZINC001306625831 1069319793 /nfs/dbraw/zinc/31/97/93/1069319793.db2.gz UJHBFMXATDJANI-SFHVURJKSA-N 0 3 451.566 3.513 20 0 JHADHN CCC[C@@H]1CN(c2nnc(CC(C)(C)C)n2CCn2cnc3ccccc32)CCN1CCOC ZINC001306628583 1069327351 /nfs/dbraw/zinc/32/73/51/1069327351.db2.gz GZAWTMPEZZPKFC-OAQYLSRUSA-N 0 3 467.662 3.854 20 0 JHADHN CCN(C(=O)NC[C@H](c1ccc(F)cc1)N1CCOCC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001311366319 1069346515 /nfs/dbraw/zinc/34/65/15/1069346515.db2.gz BDVCMBVRTZJAAM-JWQCQUIFSA-N 0 3 454.590 3.505 20 0 JHADHN CCN1CCN(Cc2ccc(CNC(=O)NC[C@H](O)c3cc4ccccc4s3)cc2)CC1 ZINC001311358248 1069342198 /nfs/dbraw/zinc/34/21/98/1069342198.db2.gz QSTYSEVEJYTEFR-QFIPXVFZSA-N 0 3 452.624 3.572 20 0 JHADHN Cc1cccc(N2CCN(CCCCNC(=O)NC[C@H]3CSc4ccccc4O3)CC2)c1 ZINC001311379934 1069353734 /nfs/dbraw/zinc/35/37/34/1069353734.db2.gz HNMAYKNJHLYCHT-QFIPXVFZSA-N 0 3 454.640 3.750 20 0 JHADHN CCC[C@H]1CN(c2nnc(-c3ccccn3)n2CCSC(F)(F)F)CCN1CCOC ZINC001306645643 1069356671 /nfs/dbraw/zinc/35/66/71/1069356671.db2.gz LOEJXNLFNIXCFN-INIZCTEOSA-N 0 3 458.554 3.530 20 0 JHADHN CCC[C@H]1CN(c2nnc(-c3ccccc3Br)n2CCN2CC=CCC2)CCO1 ZINC001306646693 1069358222 /nfs/dbraw/zinc/35/82/22/1069358222.db2.gz MUEUZRDONPJOPI-SFHVURJKSA-N 0 3 460.420 3.975 20 0 JHADHN CC[C@H](CNC(=O)N[C@@H](c1nccn1C)c1ccc(F)cc1F)N1CCc2ccccc2C1 ZINC001311393967 1069359892 /nfs/dbraw/zinc/35/98/92/1069359892.db2.gz DZUSCLUAPQIPJH-NFBKMPQASA-N 0 3 453.537 3.924 20 0 JHADHN CN(C)[C@H](CNC(=O)NCCCN1CCN(C)C[C@H]1c1ccccc1)c1ccccc1Cl ZINC001311421598 1069368978 /nfs/dbraw/zinc/36/89/78/1069368978.db2.gz CIJRIRSOALXVBA-RPWUZVMVSA-N 0 3 458.050 3.621 20 0 JHADHN CC1(C)CC[C@@H](CNC(=O)NCCCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)O1 ZINC001311451446 1069384587 /nfs/dbraw/zinc/38/45/87/1069384587.db2.gz FHIMQUZJACDONS-FQEVSTJZSA-N 0 3 456.553 3.864 20 0 JHADHN CCCCN(C)c1nnc(-c2cccc(Br)c2)n1C[C@@H](C)N1CCN(CC)CC1 ZINC001306666792 1069394956 /nfs/dbraw/zinc/39/49/56/1069394956.db2.gz CUVUEUCARKIHED-GOSISDBHSA-N 0 3 463.468 3.970 20 0 JHADHN CCCCN(C)C(=O)C1CCN(c2nnc(CC)n2C[C@@H](c2cccc(F)c2)N(C)C)CC1 ZINC001306665985 1069393067 /nfs/dbraw/zinc/39/30/67/1069393067.db2.gz RMUBNAIYFYALDN-QFIPXVFZSA-N 0 3 458.626 3.757 20 0 JHADHN C[C@H]1CCN(C(=O)NC2CCN(C(=O)c3ccccc3F)CC2)CCN1Cc1ccccc1 ZINC001311482996 1069398669 /nfs/dbraw/zinc/39/86/69/1069398669.db2.gz VBBKXTSNSPVNSQ-FQEVSTJZSA-N 0 3 452.574 3.736 20 0 JHADHN CCCCN(C)CCn1c(-c2ccc(CC)cc2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 ZINC001306682048 1069412429 /nfs/dbraw/zinc/41/24/29/1069412429.db2.gz APPWKEHWJIIEEH-JOCHJYFZSA-N 0 3 461.676 3.643 20 0 JHADHN O=C(CCC1CCCCC1)N1CCN(C(=O)NCC2(N3CCSCC3)CCCC2)CC1 ZINC001311583970 1069450566 /nfs/dbraw/zinc/45/05/66/1069450566.db2.gz NFORCYNFJBRHOA-UHFFFAOYSA-N 0 3 450.693 3.562 20 0 JHADHN COc1ccc(CN2CC[C@H]2CNC(=O)NC2CCN(Cc3ccc(Cl)cc3)CC2)cc1 ZINC001311588384 1069452383 /nfs/dbraw/zinc/45/23/83/1069452383.db2.gz MDYLDWCQBMSQNX-QHCPKHFHSA-N 0 3 457.018 3.887 20 0 JHADHN CSc1ccc([C@H](CNC(=O)N[C@H](CN2CCOCC2)c2ccc(C)cc2)N(C)C)cc1 ZINC001311595646 1069456752 /nfs/dbraw/zinc/45/67/52/1069456752.db2.gz XGMXYIXLNUMGEH-RPWUZVMVSA-N 0 3 456.656 3.692 20 0 JHADHN O=C(NCCCCN1CCN(Cc2ccccc2)CC1)N1CC[C@@]2(CC(F)(F)C2(F)F)C1 ZINC001311629861 1069478313 /nfs/dbraw/zinc/47/83/13/1069478313.db2.gz HMGDNTUDYMHGHU-OAQYLSRUSA-N 0 3 456.528 3.660 20 0 JHADHN CCCC[N@@H+]1CCCC[C@H]1Cn1c(CC(C)C)nnc1N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC001306729912 1069480185 /nfs/dbraw/zinc/48/01/85/1069480185.db2.gz ZKTHFNQTVHKDKY-QHCPKHFHSA-N 0 3 482.673 3.799 20 0 JHADHN CCCC[N@H+]1CCCC[C@H]1Cn1c(CC(C)C)nnc1N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC001306729912 1069480190 /nfs/dbraw/zinc/48/01/90/1069480190.db2.gz ZKTHFNQTVHKDKY-QHCPKHFHSA-N 0 3 482.673 3.799 20 0 JHADHN CN(C)C[C@@H](NC(=O)NCCC(=O)Nc1ccc(Br)cc1)c1ccc(F)cc1 ZINC001311652197 1069489755 /nfs/dbraw/zinc/48/97/55/1069489755.db2.gz HXLNRQSHMGZOFD-GOSISDBHSA-N 0 3 451.340 3.519 20 0 JHADHN CCCCNC(=O)[C@@H]1CC[C@@H](C)N(c2nnc(C)n2CCCN2CCc3ccccc3C2)C1 ZINC001306733384 1069492687 /nfs/dbraw/zinc/49/26/87/1069492687.db2.gz WEOZDFCUKRONBK-HYBUGGRVSA-N 0 3 452.647 3.556 20 0 JHADHN Cc1c2ccccc2sc1C(=O)N1CCN(C(=O)NCCN(C)Cc2ccccc2)CC1 ZINC001311686150 1069503319 /nfs/dbraw/zinc/50/33/19/1069503319.db2.gz WJYSNAUUJQNGEJ-UHFFFAOYSA-N 0 3 450.608 3.809 20 0 JHADHN C[C@@H](c1ccccc1)N1CC[C@H](NC(=O)N2CCC(NC(=O)OCc3ccccc3)CC2)C1 ZINC001311714690 1069515637 /nfs/dbraw/zinc/51/56/37/1069515637.db2.gz SMZNSOWKUIHIQX-RDPSFJRHSA-N 0 3 450.583 3.922 20 0 JHADHN CCN(C(=O)N[C@@H](CCSC)c1nnc2ccccn21)[C@H]1CCN(Cc2ccccc2)C1 ZINC001311716378 1069516736 /nfs/dbraw/zinc/51/67/36/1069516736.db2.gz WKJWZDCVRZZWIT-SFTDATJTSA-N 0 3 452.628 3.830 20 0 JHADHN CN(C)CCN(CC1CCCCC1)C(=O)NC[C@@H](c1cccc(Cl)c1)N1CCOCC1 ZINC001311829922 1069567584 /nfs/dbraw/zinc/56/75/84/1069567584.db2.gz ORYXVVSJKHTSKB-QHCPKHFHSA-N 0 3 451.055 3.867 20 0 JHADHN CCC[C@H](NC(=O)N[C@@]1(C)CCN(Cc2ccccc2)C1)C(=O)N1CCc2sccc2C1 ZINC001311856519 1069582354 /nfs/dbraw/zinc/58/23/54/1069582354.db2.gz YINSDNHSSXYJLM-OFVILXPXSA-N 0 3 454.640 3.765 20 0 JHADHN COc1cccc(CC2CCN(C(=O)NCc3cccc(CN4CCN(C)CC4)c3)CC2)c1 ZINC001311861570 1069586146 /nfs/dbraw/zinc/58/61/46/1069586146.db2.gz HUFGRSAHXJUVHV-UHFFFAOYSA-N 0 3 450.627 3.607 20 0 JHADHN CCOc1c(Cl)cc(Cn2c(C(C)C)nnc2N2CCN(C[C@@H]3CCOC3)CC2)cc1OC ZINC001314151160 1069611938 /nfs/dbraw/zinc/61/19/38/1069611938.db2.gz FWCPSMVLLSEZNL-SFHVURJKSA-N 0 3 478.037 3.669 20 0 JHADHN CCN1CCN(C[C@@H](C)CNC(=O)NCC2(c3ccc(Br)s3)CCC2)CC1 ZINC001311976600 1069646372 /nfs/dbraw/zinc/64/63/72/1069646372.db2.gz QKADZRUOFMHELF-INIZCTEOSA-N 0 3 457.482 3.505 20 0 JHADHN CCC(CC)(CNC(=O)N1CCN(C(=O)c2ccc([O-])cc2)CC1)[NH2+][C@@H](C)c1ccccc1 ZINC001311994600 1069656962 /nfs/dbraw/zinc/65/69/62/1069656962.db2.gz QPQVLNLFSQSYRT-FQEVSTJZSA-N 0 3 452.599 3.769 20 0 JHADHN CCOc1ccc(-c2nnc(N(C)[C@H]3CCOC3)n2C[C@H](c2ccsc2)N(C)C)cc1OC ZINC001314165282 1069661457 /nfs/dbraw/zinc/66/14/57/1069661457.db2.gz YGPNULXYIJJJOZ-VQTJNVASSA-N 0 3 471.627 3.942 20 0 JHADHN CN(C)CCN(CCc1ccccc1)C(=O)N[C@@H]1CCN(c2ccccc2Br)C1 ZINC001312017733 1069673436 /nfs/dbraw/zinc/67/34/36/1069673436.db2.gz LQADMFZIFKGEAJ-HXUWFJFHSA-N 0 3 459.432 3.844 20 0 JHADHN COc1cc(N[C@@H]2CCCN(C(=O)NC[C@H]3CCCN3Cc3ccccc3)C2)cc(OC)c1 ZINC001312022703 1069675740 /nfs/dbraw/zinc/67/57/40/1069675740.db2.gz AYLXQAGWZYPTPN-FYYLOGMGSA-N 0 3 452.599 3.954 20 0 JHADHN C[C@H](c1ccc(F)cc1)N1CCC[C@H](NC(=O)NC[C@H]2CCCN2Cc2ccccc2)C1=O 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MRADGZOHLWOHRW-HUTZZIEHSA-N 0 3 457.615 3.904 20 0 JHADHN C[C@H](NC(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F)[C@@H](c1ccccc1)N(C)C ZINC001312661584 1070069119 /nfs/dbraw/zinc/06/91/19/1070069119.db2.gz RZMPENMGCGLEHN-UHOSZYNNSA-N 0 3 454.562 3.869 20 0 JHADHN Cc1ccc(NC(=O)CN[C@]2(C)CCCc3ccccc32)cc1S(=O)(=O)N1CCCCC1 ZINC001307607600 1070079264 /nfs/dbraw/zinc/07/92/64/1070079264.db2.gz KWLCBERXAZWPOY-RUZDIDTESA-N 0 3 455.624 3.949 20 0 JHADHN Cc1cccc([C@H](C)NCC(=O)NCCN2C(=O)S/C(=C/c3ccccc3F)C2=O)c1C ZINC001307638164 1070094575 /nfs/dbraw/zinc/09/45/75/1070094575.db2.gz XTZORLGSNSDSDP-RSZPVBOMSA-N 0 3 455.555 3.946 20 0 JHADHN CSc1ccc([C@@H](CNC(=O)NC[C@H](CO)Cc2cc(F)c(F)c(F)c2)N(C)C)cc1 ZINC001312755506 1070105031 /nfs/dbraw/zinc/10/50/31/1070105031.db2.gz OUSAHKPALVULAC-FOIQADDNSA-N 0 3 455.546 3.579 20 0 JHADHN CC(C)(COc1ccc(C(F)(F)F)cn1)NCC(=O)N1CCO[C@H](c2ccc(F)cc2)C1 ZINC001307677688 1070120492 /nfs/dbraw/zinc/12/04/92/1070120492.db2.gz AQRHGRVUJGLKCX-SFHVURJKSA-N 0 3 455.452 3.587 20 0 JHADHN CC(C)Oc1ccc([C@H](CNC(=O)NC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C)N(C)C)cc1 ZINC001312807479 1070134939 /nfs/dbraw/zinc/13/49/39/1070134939.db2.gz YYJVJDUNPVFVBE-UZKOGDIHSA-N 0 3 462.635 3.879 20 0 JHADHN C[C@@H]1[C@H](NC(=O)N[C@H](CCO)c2cccc(OC(F)(F)F)c2)CCN1Cc1ccccc1 ZINC001312815627 1070138625 /nfs/dbraw/zinc/13/86/25/1070138625.db2.gz MLQRAXPCECRBMN-MAODMQOUSA-N 0 3 451.489 3.971 20 0 JHADHN CCOCc1nnc(N2CC[C@H](CN(C)C(=O)OC(C)(C)C)C2)n1C[C@H](c1ccccc1)N(C)C ZINC001314342640 1070144143 /nfs/dbraw/zinc/14/41/43/1070144143.db2.gz WCNYQHWMTUTBIF-IFMALSPDSA-N 0 3 486.661 3.811 20 0 JHADHN CC(=O)c1ccccc1NC(=O)CCCN(C)Cc1cccc(N2C[C@H](C)CS2(=O)=O)c1 ZINC001307727479 1070151772 /nfs/dbraw/zinc/15/17/72/1070151772.db2.gz IVGUIXUZOCVIDN-SFHVURJKSA-N 0 3 457.596 3.526 20 0 JHADHN CC(=O)c1ccccc1NC(=O)CCCN(C)Cc1cccc(N2C[C@@H](C)CS2(=O)=O)c1 ZINC001307727477 1070152038 /nfs/dbraw/zinc/15/20/38/1070152038.db2.gz IVGUIXUZOCVIDN-GOSISDBHSA-N 0 3 457.596 3.526 20 0 JHADHN CCS[C@@H]1CCC[C@H]1NCC(=O)Nc1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1 ZINC001307752965 1070167538 /nfs/dbraw/zinc/16/75/38/1070167538.db2.gz CPOCNGDNGSWSHW-NHCUHLMSSA-N 0 3 453.674 3.842 20 0 JHADHN CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)N[C@@H]1CCCc2c1ccc(=O)n2C ZINC001312946306 1070193548 /nfs/dbraw/zinc/19/35/48/1070193548.db2.gz FJABKESJVASGJJ-LJQANCHMSA-N 0 3 450.505 3.555 20 0 JHADHN C[C@H](C(=O)NC(=O)NCc1ccccc1)N1CCC2(CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001307827711 1070202617 /nfs/dbraw/zinc/20/26/17/1070202617.db2.gz UGUHXFDFFJQLOL-LJQANCHMSA-N 0 3 458.603 3.514 20 0 JHADHN COc1ccc(CN2CC[C@H](N3CCC4(CCN(C(=O)OC(C)(C)C)CC4)CC3)C2=O)cc1 ZINC001307830048 1070204366 /nfs/dbraw/zinc/20/43/66/1070204366.db2.gz YVIWCTXXQMMQKK-QFIPXVFZSA-N 0 3 457.615 3.909 20 0 JHADHN COC1([C@H](C)NCC(=O)Nc2sc3c(c2C(=O)c2ccccc2)CCCC3)CCOCC1 ZINC001307849536 1070210483 /nfs/dbraw/zinc/21/04/83/1070210483.db2.gz JLRNDKLOMBOMGI-KRWDZBQOSA-N 0 3 456.608 3.970 20 0 JHADHN CCOCc1nnc(N2CCCN(c3ncccc3F)CC2)n1C[C@H](c1ccc(C)cc1)N(C)C ZINC001314375091 1070213785 /nfs/dbraw/zinc/21/37/85/1070213785.db2.gz PBDVNOHOIXMNGN-HSZRJFAPSA-N 0 3 481.620 3.677 20 0 JHADHN CN1CCC[C@@H]1CNC(=O)N(CCOc1cccc(Br)c1)C[C@H]1CCCS1 ZINC001313027958 1070225842 /nfs/dbraw/zinc/22/58/42/1070225842.db2.gz WYXYRIOTECIBKZ-IEBWSBKVSA-N 0 3 456.450 3.829 20 0 JHADHN CCOCc1nnc(N2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@H](c1cccs1)N1CCCC1 ZINC001314384252 1070228282 /nfs/dbraw/zinc/22/82/82/1070228282.db2.gz CLYHRQRSQCUHHW-LJQANCHMSA-N 0 3 490.674 3.770 20 0 JHADHN COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2NCc2cc(=O)n3ccccc3n2)cc1 ZINC001307920155 1070242498 /nfs/dbraw/zinc/24/24/98/1070242498.db2.gz XVQOGHYYJXFPPR-VXKWHMMOSA-N 0 3 464.566 3.586 20 0 JHADHN CCOCc1nnc(N2CCN(C3CCCC3)CC2)n1C[C@@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C ZINC001314390646 1070244808 /nfs/dbraw/zinc/24/48/08/1070244808.db2.gz MXZWEKYBPIJSFP-PZJWPPBQSA-N 0 3 476.666 3.525 20 0 JHADHN 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CC(C)(C)N1CCC(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2Br)CC1 ZINC001309078392 1070526656 /nfs/dbraw/zinc/52/66/56/1070526656.db2.gz QWLMOTNRFMHHIR-UHFFFAOYSA-N 0 3 459.328 3.889 20 0 JHADHN CCOC(=O)c1oc2ccc(S(=O)(=O)NCC(C)(C)N3C[C@H](C)C[C@H](C)C3)cc2c1C ZINC001309100036 1070540113 /nfs/dbraw/zinc/54/01/13/1070540113.db2.gz KYUBMNIFDYKTNB-IYBDPMFKSA-N 0 3 450.601 3.953 20 0 JHADHN COc1c(F)cc(Br)cc1S(=O)(=O)[N-]CC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC001309100878 1070540720 /nfs/dbraw/zinc/54/07/20/1070540720.db2.gz QWADYUXKBYOSEL-STQMWFEESA-N 0 3 451.402 3.632 20 0 JHADHN CC[S@](=O)CCn1c(-c2cccc(C)n2)nnc1N(C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001314571102 1070577192 /nfs/dbraw/zinc/57/71/92/1070577192.db2.gz KUZHEVROWXIBFF-NBLPZQPVSA-N 0 3 466.655 3.518 20 0 JHADHN CCCO[C@@H]1CCCN(c2nnc(C(=O)Nc3ccccn3)n2CCN2CCCC(C)(C)C2)CC1 ZINC001313525761 1070599499 /nfs/dbraw/zinc/59/94/99/1070599499.db2.gz LIGNSAUACFKLDU-OAQYLSRUSA-N 0 3 483.661 3.833 20 0 JHADHN CCSc1cc(Cn2c(C(C)C)nnc2N2CC[C@H](N3CCN(C(C)C)CC3)C2)ccn1 ZINC001314582801 1070597275 /nfs/dbraw/zinc/59/72/75/1070597275.db2.gz GPTXSGFCQOTFNV-NRFANRHFSA-N 0 3 457.692 3.562 20 0 JHADHN CCS[C@H]1CC[C@H](N(C)c2nnc(C(=O)Nc3ccccn3)n2CCN2CCCCC2)C1 ZINC001314587403 1070610962 /nfs/dbraw/zinc/61/09/62/1070610962.db2.gz AMONFPFXTJUNSA-OALUTQOASA-N 0 3 457.648 3.522 20 0 JHADHN CCN(C(=O)OC(C)(C)C)[C@H](C)Cn1c(CC(C)C)nnc1N1CCN(CC2CCOCC2)CC1 ZINC001313544873 1070647257 /nfs/dbraw/zinc/64/72/57/1070647257.db2.gz HMWAEINACJHWEF-OAQYLSRUSA-N 0 3 492.709 3.671 20 0 JHADHN CCS[C@@H]1CCCCN(c2nnc(CC(C)C)n2C[C@H](C)CN2CCN(CC)CC2)C1 ZINC001314603711 1070658706 /nfs/dbraw/zinc/65/87/06/1070658706.db2.gz MLYUBJLHYCSXGF-FGZHOGPDSA-N 0 3 450.741 3.862 20 0 JHADHN CCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](c1ccc(C)cc1)N(C)C ZINC001313569498 1070683275 /nfs/dbraw/zinc/68/32/75/1070683275.db2.gz OXXAZLIYOUOUGD-NHCUHLMSSA-N 0 3 472.634 3.654 20 0 JHADHN CCSCCCn1c(-c2nn(CC)c(=O)c3ccccc32)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C ZINC001314618251 1070691649 /nfs/dbraw/zinc/69/16/49/1070691649.db2.gz RKEKAEJMQOSEEW-MOPGFXCFSA-N 0 3 483.686 3.737 20 0 JHADHN CCSCCCn1c(-c2nn(CC)c(=O)c3ccccc32)nnc1N1C[C@H](C)N(CC)C[C@H]1C ZINC001314618253 1070691686 /nfs/dbraw/zinc/69/16/86/1070691686.db2.gz RKEKAEJMQOSEEW-RBUKOAKNSA-N 0 3 483.686 3.737 20 0 JHADHN CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@]1(N(C)C)CCC[C@@H](C)C1)C1CCCCC1 ZINC001313603066 1070726544 /nfs/dbraw/zinc/72/65/44/1070726544.db2.gz FABSGFVSNZVBFQ-REHUZNOOSA-N 0 3 465.708 3.850 20 0 JHADHN CN(C)C(=O)[C@H]1CCCN1CCCn1c(N(C)[C@H]2CCc3ccccc32)nnc1C(C)(C)C ZINC001314629419 1070727179 /nfs/dbraw/zinc/72/71/79/1070727179.db2.gz PDFNGTDOWWWWSB-FCHUYYIVSA-N 0 3 452.647 3.642 20 0 JHADHN CN(C)C(=O)[C@@H]1CCCN1CCCn1c(CC(C)(C)C)nnc1Nc1cnn(CC2CCC2)c1 ZINC001314629731 1070728926 /nfs/dbraw/zinc/72/89/26/1070728926.db2.gz SREVYMZIGRFQHB-NRFANRHFSA-N 0 3 470.666 3.550 20 0 JHADHN 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C[C@@H]1CSC[C@@H]1NS(=O)(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1 ZINC001309486741 1070802478 /nfs/dbraw/zinc/80/24/78/1070802478.db2.gz WGTAZBHLOSBVRC-YPVJZLTNSA-N 0 3 451.057 3.979 20 0 JHADHN CN(c1nnc(-c2ccc[nH]2)n1CC[S@](=O)C(C)(C)C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001314685858 1070843010 /nfs/dbraw/zinc/84/30/10/1070843010.db2.gz WDQOGKZILURORD-VTLMBFNKSA-N 0 3 468.671 3.921 20 0 JHADHN CCN(CC)[C@H](C)Cn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 ZINC001313656758 1070851708 /nfs/dbraw/zinc/85/17/08/1070851708.db2.gz LFXFMIGJEJDSCA-DBXWQHBBSA-N 0 3 498.093 3.815 20 0 JHADHN CC(C)Cc1ccc([C@H](CNS(=O)(=O)c2ccc(Br)nc2F)N(C)C)cc1 ZINC001309560435 1070857796 /nfs/dbraw/zinc/85/77/96/1070857796.db2.gz YXZREFPMNQTLAO-INIZCTEOSA-N 0 3 458.397 3.763 20 0 JHADHN CN(C)[C@@H](Cn1c(-c2ccc[nH]2)nnc1N(C)CC(=O)Nc1cc(F)cc(F)c1)c1ccsc1 ZINC001314707750 1070878761 /nfs/dbraw/zinc/87/87/61/1070878761.db2.gz CRIZVXKZTXUPSX-FQEVSTJZSA-N 0 3 485.564 3.991 20 0 JHADHN 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CC(C)(O)[C@H]1CCCN(S(=O)(=O)[C@@H]2CN(Cc3ccccc3)C[C@H]2c2ccc(F)cc2)C1 ZINC001309830548 1070988553 /nfs/dbraw/zinc/98/85/53/1070988553.db2.gz VYQQCPGAPVRGPB-OEMFJLHTSA-N 0 3 460.615 3.606 20 0 JHADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3c[nH]c4ccccc34)n2CCCC(F)(F)F)CC1 ZINC001313706022 1070995538 /nfs/dbraw/zinc/99/55/38/1070995538.db2.gz YEFSLGGVPUNWMZ-UHFFFAOYSA-N 0 3 491.562 3.759 20 0 JHADHN CN(Cc1cccs1)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCN1CCN(C)C(C)(C)C1 ZINC001314760097 1071016108 /nfs/dbraw/zinc/01/61/08/1071016108.db2.gz WZYCXQRASUWCKH-NHCUHLMSSA-N 0 3 474.719 3.921 20 0 JHADHN CC(C)[C@@H]1C[C@H](N2CCCC2)CN1S(=O)(=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC001309944154 1071024759 /nfs/dbraw/zinc/02/47/59/1071024759.db2.gz WYULWLYQGLSDGC-GMAHTHKFSA-N 0 3 459.587 3.961 20 0 JHADHN CCN(CC)[C@H](C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1C[C@H](C)C[C@H]1c1cccc(OC)c1 ZINC001313725125 1071032097 /nfs/dbraw/zinc/03/20/97/1071032097.db2.gz FKNLETUWQAMIPB-ZNTQHIFFSA-N 0 3 489.686 3.507 20 0 JHADHN 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CCN1CCN([C@@H](C)Cn2c(N3CCC(Oc4ccc(F)cc4F)CC3)nnc2C(C)(C)C)CC1 ZINC001313926751 1071577503 /nfs/dbraw/zinc/57/75/03/1071577503.db2.gz GEVMYQNKLKYZST-IBGZPJMESA-N 0 3 490.643 3.928 20 0 JHADHN CCN(CC)c1nnc(-c2ccc(F)cc2Br)n1C[C@@H](C)N1CCN(CC)CC1 ZINC001313926762 1071577615 /nfs/dbraw/zinc/57/76/15/1071577615.db2.gz XVYNYLRZTZHKRE-MRXNPFEDSA-N 0 3 467.431 3.719 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(CSc3ccc(C)cc3)nnc2N(C)CC2CCOCC2)CC1 ZINC001313926695 1071577726 /nfs/dbraw/zinc/57/77/26/1071577726.db2.gz FQNUDFBWXOPHDJ-JOCHJYFZSA-N 0 3 486.730 3.768 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(CCOc3ccccc3)nnc2N(C)C2CCCCC2)CC1 ZINC001313926871 1071578201 /nfs/dbraw/zinc/57/82/01/1071578201.db2.gz HGAPLXIRWKVUKU-JOCHJYFZSA-N 0 3 454.663 3.695 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(COc3ccc(F)cc3)nnc2N2CCS[C@@H](C(C)C)C2)CC1 ZINC001313926961 1071578257 /nfs/dbraw/zinc/57/82/57/1071578257.db2.gz GOUGLMFMUUUXPM-NFBKMPQASA-N 0 3 490.693 3.600 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(COc3ccc(F)cc3)nnc2N2CCS[C@@H](C(C)C)C2)CC1 ZINC001313926962 1071578300 /nfs/dbraw/zinc/57/83/00/1071578300.db2.gz GOUGLMFMUUUXPM-NZQKXSOJSA-N 0 3 490.693 3.600 20 0 JHADHN CCN1CCN([C@H](C)Cn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N(C)CCC(C)C)CC1 ZINC001313927217 1071579328 /nfs/dbraw/zinc/57/93/28/1071579328.db2.gz INCTYDYICQNZPE-YADHBBJMSA-N 0 3 491.725 3.858 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(-c3cccc(C)n3)nnc2N(C)C[C@@H](C)c2ccccc2)CC1 ZINC001313927719 1071581295 /nfs/dbraw/zinc/58/12/95/1071581295.db2.gz JUAOKIBDSLSTOO-FYYLOGMGSA-N 0 3 461.658 3.914 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(COc3cc(C)ccc3C(C)C)nnc2N2CCO[C@H](C)C2)CC1 ZINC001313927800 1071581965 /nfs/dbraw/zinc/58/19/65/1071581965.db2.gz NKQPVTNGAYJNGG-DHIUTWEWSA-N 0 3 484.689 3.540 20 0 JHADHN CCN1CCN([C@H](C)Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCCC[C@@H](SC)C2)CC1 ZINC001313927862 1071582104 /nfs/dbraw/zinc/58/21/04/1071582104.db2.gz PKRCZOXRBBYQGN-SSGKUCQKSA-N 0 3 492.778 3.945 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(COc3cccc(C)c3)nnc2N2CCO[C@@](C)(C(C)(C)C)C2)CC1 ZINC001313928249 1071583049 /nfs/dbraw/zinc/58/30/49/1071583049.db2.gz SYYLXJGZEDUILL-NEKDWFFYSA-N 0 3 498.716 3.833 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(COc3cc(C)cc(C)c3)nnc2N(C)Cc2ccccn2)CC1 ZINC001313929086 1071585934 /nfs/dbraw/zinc/58/59/34/1071585934.db2.gz XLLVMFWZFTUHND-QHCPKHFHSA-N 0 3 477.657 3.531 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(Cc3ccc(Cl)cc3)nnc2N(C)Cc2cnc(C)s2)CC1 ZINC001313930095 1071588140 /nfs/dbraw/zinc/58/81/40/1071588140.db2.gz VBECXUWHJOHEBT-SFHVURJKSA-N 0 3 488.105 3.950 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(Cc3ccsc3)nnc2N(C)Cc2ccc(C)s2)CC1 ZINC001313930615 1071589978 /nfs/dbraw/zinc/58/99/78/1071589978.db2.gz WCRVSNJUQJPQNK-GOSISDBHSA-N 0 3 458.701 3.963 20 0 JHADHN CCN(CC(C)C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@@H](C)N1CCN(CC)CC1 ZINC001313931422 1071591847 /nfs/dbraw/zinc/59/18/47/1071591847.db2.gz UBWNCIFDQMGHJG-JOCHJYFZSA-N 0 3 464.662 3.639 20 0 JHADHN CCN1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCCN2C[C@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC001313941960 1071618866 /nfs/dbraw/zinc/61/88/66/1071618866.db2.gz FRWJCEXUQUAEFV-HJOGWXRNSA-N 0 3 484.689 3.504 20 0 JHADHN CCN1CCN([C@H]2CCN(c3nnc(-c4cc(Br)c[nH]4)n3CC(C)(C)CC)C2)CC1 ZINC001313945618 1071626786 /nfs/dbraw/zinc/62/67/86/1071626786.db2.gz RSPVFJUVFRSSFN-SFHVURJKSA-N 0 3 478.483 3.688 20 0 JHADHN CCN1CCN([C@H]2CCN(c3nnc(C(C)C)n3C[C@@H](C)Cc3ccc(OC)cc3)C2)CC1 ZINC001313944278 1071624570 /nfs/dbraw/zinc/62/45/70/1071624570.db2.gz ZHIAUWLCDZHEJG-GMAHTHKFSA-N 0 3 454.663 3.505 20 0 JHADHN CCN1CCN([C@H]2CCN(c3nnc(-c4ccc(C(C)(C)C)cc4)n3CCCCCO)C2)CC1 ZINC001313944327 1071624593 /nfs/dbraw/zinc/62/45/93/1071624593.db2.gz AXIZBAKIGQUQCH-DEOSSOPVSA-N 0 3 468.690 3.621 20 0 JHADHN CCN1CCN([C@H]2CCN(c3nnc(-c4ccc(C)o4)n3C[C@@H](SC)C(C)(C)C)C2)CC1 ZINC001313944929 1071625719 /nfs/dbraw/zinc/62/57/19/1071625719.db2.gz JRCDWOLXQAZITF-PZJWPPBQSA-N 0 3 460.692 3.840 20 0 JHADHN CCN1CCN([C@H]2CCN(c3nnc([C@@H]4CCO[C@H]4C(C)(C)C)n3CCCCSC)C2)CC1 ZINC001313947852 1071632718 /nfs/dbraw/zinc/63/27/18/1071632718.db2.gz CXZPKAIKWKSOOZ-BHDDXSALSA-N 0 3 478.751 3.556 20 0 JHADHN CCN1CCN([C@H]2CCN(c3nnc(CC(C)(C)C)n3Cc3cc(F)ccc3SC)C2)CC1 ZINC001313949496 1071636460 /nfs/dbraw/zinc/63/64/60/1071636460.db2.gz YUCSKCPQDGWXJE-NRFANRHFSA-N 0 3 474.694 3.992 20 0 JHADHN CCN1CCN(C[C@H](C)Cn2c(COc3ccc(F)cc3)nnc2N2CCC(C)=C(C)C2)CC1 ZINC001313951315 1071641876 /nfs/dbraw/zinc/64/18/76/1071641876.db2.gz FPXRJBTVMSGXOG-FQEVSTJZSA-N 0 3 470.637 3.816 20 0 JHADHN CCN1CCN(C[C@H](C)Cn2c([C@@H]3CCCOC3)nnc2N2CC=C(C(C)(C)C)CC2)CC1 ZINC001313951661 1071643078 /nfs/dbraw/zinc/64/30/78/1071643078.db2.gz ATYMSHGLTRXPFH-FCHUYYIVSA-N 0 3 458.695 3.628 20 0 JHADHN CCN1CCN(C[C@@H](C)Cn2c(N3CCC([C@H]4CC4(F)F)CC3)nnc2C(C)(C)C)CC1 ZINC001313952148 1071644538 /nfs/dbraw/zinc/64/45/38/1071644538.db2.gz NQNOVJOLTPLPMU-UYAOXDASSA-N 0 3 452.638 3.721 20 0 JHADHN CCN1CCN(C[C@H](C)Cn2c(COc3ccccc3OC)nnc2N2C[C@@H](C)CC[C@@H]2C)CC1 ZINC001313952442 1071645772 /nfs/dbraw/zinc/64/57/72/1071645772.db2.gz QEDBXBJZVCWPCD-VABKMULXSA-N 0 3 484.689 3.764 20 0 JHADHN CCN1CCN(C[C@H](C)Cn2c(COc3ccc(F)cc3)nnc2N2CCC[C@H]2C(C)C)CC1 ZINC001313952694 1071646462 /nfs/dbraw/zinc/64/64/62/1071646462.db2.gz UBUJEXVHFNAAES-URXFXBBRSA-N 0 3 472.653 3.895 20 0 JHADHN CCN1CCN(C[C@H](C)Cn2c([C@@H]3CCCOC3)nnc2N(C)[C@@H](C)c2ccc(F)c(F)c2)CC1 ZINC001313954251 1071650525 /nfs/dbraw/zinc/65/05/25/1071650525.db2.gz MNBIMWHTIGEXQH-JAXLGGSGSA-N 0 3 490.643 3.921 20 0 JHADHN CCN1CCN(C[C@H](C)Cn2c(CC(C)(C)C)nnc2N2CCN(c3ccccc3C)CC2)CC1 ZINC001313957283 1071660070 /nfs/dbraw/zinc/66/00/70/1071660070.db2.gz QMCGXUGWEGCSST-QHCPKHFHSA-N 0 3 481.733 3.775 20 0 JHADHN CCN1CCN(C[C@H](C)Cn2c(CCc3ccc(OC)cc3)nnc2N2CC[C@H](C)[C@@H](C)C2)CC1 ZINC001313958173 1071662985 /nfs/dbraw/zinc/66/29/85/1071662985.db2.gz VBOMLLPFSHRLLH-HJOGWXRNSA-N 0 3 482.717 3.828 20 0 JHADHN CCN1CCN(C[C@H](C)Cn2c(CCc3ccc(OC)cc3)nnc2N2CCCC2(C)C)CC1 ZINC001313958108 1071663164 /nfs/dbraw/zinc/66/31/64/1071663164.db2.gz UCKOSGKRIKVKCZ-QFIPXVFZSA-N 0 3 468.690 3.724 20 0 JHADHN CCN1CCN(CCCn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N2CCC(C)CC2)CC1 ZINC001313958330 1071663539 /nfs/dbraw/zinc/66/35/39/1071663539.db2.gz ALAUYIMZBPKOOW-QFIPXVFZSA-N 0 3 489.709 3.614 20 0 JHADHN CCN1CCN(CCCn2c(COc3ccc(C(C)(C)C)cc3)nnc2N2CCCO[C@@H](C)C2)CC1 ZINC001313960108 1071668569 /nfs/dbraw/zinc/66/85/69/1071668569.db2.gz DQNYXNHPPDPXCP-QHCPKHFHSA-N 0 3 498.716 3.797 20 0 JHADHN CCN1CCN(C[C@@H](C)Cn2c(COc3cc(C)ccc3C)nnc2N2C[C@H](OC)C(C)(C)C2)CC1 ZINC001313958833 1071665112 /nfs/dbraw/zinc/66/51/12/1071665112.db2.gz YGUMXVDQCFRRPF-RDGATRHJSA-N 0 3 498.716 3.609 20 0 JHADHN CCN1CCN(CCCn2c(COc3ccc(Cl)cc3)nnc2N2CCOC(C)(C)[C@@H]2C)CC1 ZINC001313959818 1071667595 /nfs/dbraw/zinc/66/75/95/1071667595.db2.gz BBGNYIHNXCWNFF-FQEVSTJZSA-N 0 3 491.080 3.542 20 0 JHADHN CCN1CCN(CCCn2c(COc3cc(C)cc(C)c3)nnc2N2CCS[C@H](C)[C@@H]2C)CC1 ZINC001313961016 1071671786 /nfs/dbraw/zinc/67/17/86/1071671786.db2.gz OQMULJHKKDNAOI-XZOQPEGZSA-N 0 3 486.730 3.832 20 0 JHADHN CCN1CCN(CCCn2c(Cc3ccc(F)cc3)nnc2N(C)Cc2ccc(C)o2)CC1 ZINC001313961620 1071673438 /nfs/dbraw/zinc/67/34/38/1071673438.db2.gz VKHURIOHDSIEQW-UHFFFAOYSA-N 0 3 454.594 3.573 20 0 JHADHN CCOC(=O)N1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@H](c2cccs2)N(C)C)CC1 ZINC001314024843 1071783991 /nfs/dbraw/zinc/78/39/91/1071783991.db2.gz YXDYUZPUMOXFKO-OAQYLSRUSA-N 0 3 498.653 3.808 20 0 JHADHN CCOC(C)(C)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(C2CCOCC2)CC1 ZINC001314043472 1071853055 /nfs/dbraw/zinc/85/30/55/1071853055.db2.gz FYSQSLCTZODIHU-QHCPKHFHSA-N 0 3 455.647 3.936 20 0 JHADHN CCOC(=O)N[C@@H]1CCCN(c2nnc([C@H]3CCCO3)n2C[C@H](c2ccsc2)N(CC)CC)C1 ZINC001314044773 1071857481 /nfs/dbraw/zinc/85/74/81/1071857481.db2.gz VSEQJMPLDLWVPA-NJDAHSKKSA-N 0 3 490.674 3.989 20 0 JHADHN CCO[C@]1(c2nnc(N3C[C@H](C)N(CC)C[C@H]3C)n2C[C@H](C)c2ccc(F)cc2)CCOC1 ZINC001314098151 1071978973 /nfs/dbraw/zinc/97/89/73/1071978973.db2.gz YGFSVZPIZFIUCM-UVPKRVSESA-N 0 3 459.610 3.792 20 0 JHADHN CCO[C@]1(c2nnc(N3CCS[C@@H](CC)C3)n2C[C@@H](c2ccccc2)N(C)C)CCOC1 ZINC001314142210 1072057276 /nfs/dbraw/zinc/05/72/76/1072057276.db2.gz FTFIGNUJTVMYBS-AWRGLXIESA-N 0 3 459.660 3.565 20 0 JHADHN CCc1ccc(-c2nnc(N3C[C@H](C)N(CC)C[C@@H]3C)n2CCN2CCOC(C)(C)C2)cc1 ZINC001305928613 1068227763 /nfs/dbraw/zinc/22/77/63/1068227763.db2.gz KSYUCUSKYKTPPD-SFTDATJTSA-N 0 3 454.663 3.537 20 0 JHADHN CCc1ccc(-c2nnc(N3CC[C@H](N4CCN(CC)CC4)C3)n2C[C@@H](OC)[C@@H](C)CC)cc1 ZINC001305933960 1068234593 /nfs/dbraw/zinc/23/45/93/1068234593.db2.gz JJEILQCTZZINNP-GVXSCFBNSA-N 0 3 468.690 3.785 20 0 JHADHN CCc1ccc(-c2nnc(N3CC[C@H](N4CCN(CC)CC4)C3)n2C[C@H](OC)[C@@H](C)CC)cc1 ZINC001305933967 1068235267 /nfs/dbraw/zinc/23/52/67/1068235267.db2.gz JJEILQCTZZINNP-TUSQITKMSA-N 0 3 468.690 3.785 20 0 JHADHN CCc1ccc(-c2nnc(N3CCC(S(C)(=O)=O)CC3)n2CCN2CCCC[C@H]2CC)cc1 ZINC001305938604 1068244600 /nfs/dbraw/zinc/24/46/00/1068244600.db2.gz GQJXSJLSFYSHQB-JOCHJYFZSA-N 0 3 473.687 3.785 20 0 JHADHN CCc1ccc(CCn2c(CC(C)(C)C)nnc2N2CC[C@H](N3CCN(CC)CC3)C2)cc1 ZINC001305958506 1068288206 /nfs/dbraw/zinc/28/82/06/1068288206.db2.gz HVQBLESTPRCTBY-DEOSSOPVSA-N 0 3 452.691 3.888 20 0 JHADHN CCc1ccccc1OCc1nnc(N2C[C@@H](C)N(CC)C[C@@H]2C)n1Cc1conc1COC ZINC001305980537 1068323939 /nfs/dbraw/zinc/32/39/39/1068323939.db2.gz CWNNERYWFNAWJA-MOPGFXCFSA-N 0 3 468.602 3.521 20 0 JHADHN CCc1ccccc1OCc1nnc(N2CCC[C@H]2CC)n1CCN1CCN(C)C(C)(C)C1 ZINC001305984405 1068332088 /nfs/dbraw/zinc/33/20/88/1068332088.db2.gz FRXNJWSLRLOGQU-JOCHJYFZSA-N 0 3 454.663 3.824 20 0 JHADHN CCc1ccccc1OCc1nnc(N2CCN(C3CCOCC3)C[C@H]2C)n1CC(C)(C)COC ZINC001305985330 1068334461 /nfs/dbraw/zinc/33/44/61/1068334461.db2.gz HXUAEUDNQRXDKL-OAQYLSRUSA-N 0 3 485.673 3.782 20 0 JHADHN CCc1ccccc1OCc1nnc(N2CCN(C(C)(C)C)CC2)n1Cc1ccc(OC)nc1OC ZINC001305987739 1068341895 /nfs/dbraw/zinc/34/18/95/1068341895.db2.gz LZXKPURHAOFUER-UHFFFAOYSA-N 0 3 494.640 3.801 20 0 JHADHN CCc1ccccc1OCc1nnc(N2CCN(C(C)(C)C)CC2)n1CCNC(=O)C(C)(C)C ZINC001305988643 1068346091 /nfs/dbraw/zinc/34/60/91/1068346091.db2.gz SQBVQNPIGLONHL-UHFFFAOYSA-N 0 3 470.662 3.502 20 0 JHADHN CCc1nc(CN(C)c2nnc([C@@H]3CCOC3)n2C[C@@H](c2ccc(F)cc2)N(C)C)cs1 ZINC001306033975 1068437635 /nfs/dbraw/zinc/43/76/35/1068437635.db2.gz SUEXUOLVVVXAJV-XLIONFOSSA-N 0 3 458.607 3.879 20 0 JHADHN CCc1nc(CN(C)c2nnc([C@H]3CCOC3)n2C[C@@H](c2ccc(F)cc2)N(C)C)cs1 ZINC001306033974 1068437678 /nfs/dbraw/zinc/43/76/78/1068437678.db2.gz SUEXUOLVVVXAJV-PXNSSMCTSA-N 0 3 458.607 3.879 20 0 JHADHN CCc1nn(C)c(CC)c1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@H](C)N(CC)C[C@H]1C ZINC001306043728 1068461519 /nfs/dbraw/zinc/46/15/19/1068461519.db2.gz SCVYNYPKBXHCCR-RBUKOAKNSA-N 0 3 495.672 3.788 20 0 JHADHN CCc1nn(C)c(CC)c1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C ZINC001306043726 1068461597 /nfs/dbraw/zinc/46/15/97/1068461597.db2.gz SCVYNYPKBXHCCR-MOPGFXCFSA-N 0 3 495.672 3.788 20 0 JHADHN CCc1nnc(N(C)C2CCN(CCn3cccn3)CC2)n1Cc1ccc(OC(F)(F)F)cc1 ZINC001306071637 1068505881 /nfs/dbraw/zinc/50/58/81/1068505881.db2.gz WIRCWGWQVQWKAG-UHFFFAOYSA-N 0 3 477.535 3.585 20 0 JHADHN CCc1nnc(N(CC)Cc2nc3ccsc3c(=O)[nH]2)n1C[C@@H](c1cccc(OC)c1)N(C)C ZINC001306098944 1068517627 /nfs/dbraw/zinc/51/76/27/1068517627.db2.gz NHPZBTRSVFBIIM-IBGZPJMESA-N 0 3 481.626 3.889 20 0 JHADHN CCc1nnc(N2CCC(C(=O)N3CCCC3)CC2)n1C[C@@H](c1ccsc1)N(CC)CC ZINC001306118760 1068526219 /nfs/dbraw/zinc/52/62/19/1068526219.db2.gz VAJPNPCYOIJDSW-NRFANRHFSA-N 0 3 458.676 3.824 20 0 JHADHN CCc1nnc(N2CCC(CCCN3CCOCC3)CC2)n1C[C@@H](c1cccs1)N(C)C ZINC001306132634 1068535159 /nfs/dbraw/zinc/53/51/59/1068535159.db2.gz FXGXSRYEDDFQEY-NRFANRHFSA-N 0 3 460.692 3.534 20 0 JHADHN CCc1nnc(N2CCC[C@H](c3nc(C(C)C)cs3)C2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001306161286 1068557534 /nfs/dbraw/zinc/55/75/34/1068557534.db2.gz IFXOGSZJZIRDMB-FPOVZHCZSA-N 0 3 487.718 3.747 20 0 JHADHN CCc1nnc(N2CCN(C(=O)c3ccc(C)s3)CC2)n1C[C@H](c1ccc(F)cc1)N(C)C ZINC001306185604 1068576306 /nfs/dbraw/zinc/57/63/06/1068576306.db2.gz MCGFAUOWNQZWLY-HXUWFJFHSA-N 0 3 470.618 3.615 20 0 JHADHN CCc1nnc(N2CCN(C(=O)c3ccc(C)s3)CC2)n1C[C@@H](c1ccc(F)cc1)N(C)C ZINC001306185603 1068576350 /nfs/dbraw/zinc/57/63/50/1068576350.db2.gz MCGFAUOWNQZWLY-FQEVSTJZSA-N 0 3 470.618 3.615 20 0 JHADHN CCc1nnc(N2CCN(C3CCOCC3)CC2)n1Cc1ccc([C@H](F)C(F)(F)F)cc1 ZINC001306203793 1068593795 /nfs/dbraw/zinc/59/37/95/1068593795.db2.gz QQXVPHXVDWZQPF-FQEVSTJZSA-N 0 3 455.500 3.763 20 0 JHADHN CCc1nnc(N2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)n1C[C@@H](C)CN1CCN(CC)CC1 ZINC001306216840 1068604145 /nfs/dbraw/zinc/60/41/45/1068604145.db2.gz ZVDFLPIIBIWTRI-PGRDOPGGSA-N 0 3 495.499 3.999 20 0 JHADHN CCc1nnc(N2CCO[C@H](c3noc(C(C)C)n3)C2)n1C[C@@H](c1ccco1)N(CC)CC ZINC001306219171 1068606796 /nfs/dbraw/zinc/60/67/96/1068606796.db2.gz CIPSKYIYWXMZPH-HKUYNNGSSA-N 0 3 457.579 3.601 20 0 JHADHN CC[C@@H]1[C@H](C)CCN1c1nnc(COc2ccccc2F)n1CCCN1CCN(CC)CC1 ZINC001306275712 1068689266 /nfs/dbraw/zinc/68/92/66/1068689266.db2.gz HOEWVLAIUSQMDA-IFMALSPDSA-N 0 3 458.626 3.649 20 0 JHADHN CC[C@@H]1[C@@H](C)CCN1c1nnc(COc2ccccc2OC)n1C[C@H](C)N1CCN(CC)CC1 ZINC001306279750 1068694818 /nfs/dbraw/zinc/69/48/18/1068694818.db2.gz POFXKJXULQBMPH-FDFHNCONSA-N 0 3 470.662 3.517 20 0 JHADHN CC[C@@H]1C[C@@H](C)CN1c1nnc(COc2ccc(F)cc2)n1C[C@@H](C)CN1CCN(CC)CC1 ZINC001306292612 1068709698 /nfs/dbraw/zinc/70/96/98/1068709698.db2.gz BZUZMJBUNVWDOX-FUPPJEDESA-N 0 3 472.653 3.895 20 0 JHADHN CC[C@H]1CCC[C@H]1Cn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 ZINC001306310604 1068728981 /nfs/dbraw/zinc/72/89/81/1068728981.db2.gz FURQEWZWPDSORP-SFTDATJTSA-N 0 3 456.635 3.663 20 0 JHADHN CC[C@@H]1CCCCN1CCn1c(-c2ccccc2C)nnc1N1CCC(S(=O)(=O)CC)CC1 ZINC001306318581 1068742148 /nfs/dbraw/zinc/74/21/48/1068742148.db2.gz HCXVZCPQPBLESU-OAQYLSRUSA-N 0 3 473.687 3.922 20 0 JHADHN CC[C@H]1CCCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H](C)N2CCN(CC)CC2)C1 ZINC001306340909 1068777461 /nfs/dbraw/zinc/77/74/61/1068777461.db2.gz CRJJIGJDTVEMBJ-KAOXLYBCSA-N 0 3 460.711 3.849 20 0 JHADHN CC[C@@H]1CCCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H](C)N2CCN(CC)CC2)C1 ZINC001306340914 1068777540 /nfs/dbraw/zinc/77/75/40/1068777540.db2.gz CRJJIGJDTVEMBJ-SSGKUCQKSA-N 0 3 460.711 3.849 20 0 JHADHN CC[C@@H]1CCN(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCN2CCN(C)C(C)(C)C2)C1 ZINC001306380761 1068811415 /nfs/dbraw/zinc/81/14/15/1068811415.db2.gz CYGAUHMMSPCTOF-RTWAWAEBSA-N 0 3 489.709 3.612 20 0 JHADHN CC[C@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2CCN(C)Cc2ccc(F)cc2)C1 ZINC001306381106 1068812591 /nfs/dbraw/zinc/81/25/91/1068812591.db2.gz BRELMLPOSVLCRV-SFHVURJKSA-N 0 3 470.618 3.777 20 0 JHADHN CC[C@@H]1CN(c2nnc(C(C)C)n2C[C@@H](c2ccccc2Cl)N(C)C)CCN1CCOC ZINC001306388426 1068824314 /nfs/dbraw/zinc/82/43/14/1068824314.db2.gz WGOSBDKJPLFQHT-KNQAVFIVSA-N 0 3 463.070 3.905 20 0 JHADHN CC[C@@H]1CN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H]2N(C)CCCC2(C)C)CCO1 ZINC001306391191 1068831525 /nfs/dbraw/zinc/83/15/25/1068831525.db2.gz LCAUPJOAJBCINF-YADHBBJMSA-N 0 3 468.646 3.883 20 0 JHADHN CC[C@H]1CN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H](C)N2CCC(C)CC2)CCO1 ZINC001306394547 1068836928 /nfs/dbraw/zinc/83/69/28/1068836928.db2.gz YAJNSLWDMCIKOM-GMAHTHKFSA-N 0 3 468.646 3.883 20 0 JHADHN CC[C@H]1CN(c2nnc([C@H]3OCC[C@H]3COC)n2CCN(C)Cc2ccc(F)cc2)CCS1 ZINC001306466697 1069005994 /nfs/dbraw/zinc/00/59/94/1069005994.db2.gz PDGQOXGKTJWJOH-BVSLBCMMSA-N 0 3 477.650 3.605 20 0 JHADHN CC/C=C\Cn1c(-c2cccc(Br)c2)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001306468509 1069010040 /nfs/dbraw/zinc/01/00/40/1069010040.db2.gz YAYFSDQHYTUEEW-DDKKJVIOSA-N 0 3 460.420 3.832 20 0 JHADHN CCN1CCN(c2cccc(NC(=O)N3C[C@H]4CCC[C@]4(NC(=O)OC(C)(C)C)C3)c2)CC1 ZINC001310596991 1069040783 /nfs/dbraw/zinc/04/07/83/1069040783.db2.gz PIGCMYBVVLLLAH-CLOONOSVSA-N 0 3 457.619 3.740 20 0 JHADHN CCCC(=O)N[C@H]1CCCN(c2nnc(CC(C)C)n2C[C@@H](c2cccc(F)c2)N(C)C)C1 ZINC001306504126 1069075866 /nfs/dbraw/zinc/07/58/66/1069075866.db2.gz CPAVRFFEGIZXED-VXKWHMMOSA-N 0 3 458.626 3.804 20 0 JHADHN CCCC(=O)NC[C@H]1CCCN(c2nnc(-c3ccc[nH]3)n2C[C@@H](c2ccc(F)cc2)N(C)C)C1 ZINC001306516964 1069124860 /nfs/dbraw/zinc/12/48/60/1069124860.db2.gz LFQGGLCDMLTCAK-XXBNENTESA-N 0 3 481.620 3.848 20 0 JHADHN CCCC(=O)NC[C@@H]1CCCN(c2nnc(-c3ccc[nH]3)n2C[C@@H](c2ccc(F)cc2)N(C)C)C1 ZINC001306516960 1069124872 /nfs/dbraw/zinc/12/48/72/1069124872.db2.gz LFQGGLCDMLTCAK-CVDCTZTESA-N 0 3 481.620 3.848 20 0 JHADHN CCCC(=O)NC[C@H]1CCCN(c2nnc(-c3cccnc3)n2C[C@H](c2ccsc2)N(C)C)C1 ZINC001306517393 1069127197 /nfs/dbraw/zinc/12/71/97/1069127197.db2.gz NUYPXWLDGKSDIK-DENIHFKCSA-N 0 3 481.670 3.837 20 0 JHADHN CCC[C@@](C)(O)Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001306528510 1069162829 /nfs/dbraw/zinc/16/28/29/1069162829.db2.gz IQGMRRFZFFTNAJ-XMMPIXPASA-N 0 3 480.028 3.837 20 0 JHADHN CCC[C@@H](C)C(=O)NCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCN(CC(C)C)CC1 ZINC001306549123 1069210112 /nfs/dbraw/zinc/21/01/12/1069210112.db2.gz LGZDRUBHHKBHHM-HXUWFJFHSA-N 0 3 465.646 3.757 20 0 JHADHN CCOC(=O)c1nc2ccccn2c1NC(=O)NC[C@@H](c1cccc(OC)c1)N(CC)CC ZINC001310903805 1069216988 /nfs/dbraw/zinc/21/69/88/1069216988.db2.gz GNVPEQDQNSNCFL-IBGZPJMESA-N 0 3 453.543 3.724 20 0 JHADHN CN(C)Cc1cc(NC(=O)N2CCC(N3CCN(c4cccc(Cl)c4)CC3)CC2)ccn1 ZINC001311081927 1069267253 /nfs/dbraw/zinc/26/72/53/1069267253.db2.gz VXZUUUVYCPDWMA-UHFFFAOYSA-N 0 3 457.022 3.615 20 0 JHADHN CCC[C@H]1CN(c2nnc(-c3cccc(OC)c3)n2CC2(O)CCCCCC2)CCN1CCOC ZINC001306618537 1069302336 /nfs/dbraw/zinc/30/23/36/1069302336.db2.gz UNDZPTHKOKPETE-QHCPKHFHSA-N 0 3 485.673 3.976 20 0 JHADHN CCC[C@@H]1CN(c2nnc(-c3cccn3C)n2Cc2ccc(C)c(OC)c2)CCN1CCOC ZINC001306621140 1069309249 /nfs/dbraw/zinc/30/92/49/1069309249.db2.gz MYQUKJUJOKRSHG-JOCHJYFZSA-N 0 3 466.630 3.586 20 0 JHADHN CCOC(=O)c1cnc(Cl)nc1C(F)(F)N1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC001164625373 719056488 /nfs/dbraw/zinc/05/64/88/719056488.db2.gz PJMYLCKKZVNORT-AEFFLSMTSA-N 0 3 450.917 3.952 20 0 JHADHN CCOC(=O)c1cnc2cc(N3CCC4(CC3)COCCN4Cc3ccc(F)cc3)[nH]cc1-2 ZINC001164673366 719519403 /nfs/dbraw/zinc/51/94/03/719519403.db2.gz QFGCXNLFKGIUTL-UHFFFAOYSA-N 0 3 452.530 3.750 20 0 JHADHN O=C(NCCSCc1ccco1)c1cccnc1N1CC[C@H]2[C@H]1CCN2Cc1cccnc1 ZINC001164721816 720407803 /nfs/dbraw/zinc/40/78/03/720407803.db2.gz BGVYIZAXSIVAOH-XZOQPEGZSA-N 0 3 463.607 3.586 20 0 JHADHN Fc1ccc(-c2nnc(N3CCN4C[C@H](Oc5cncnc5)C[C@H]4C3)c3ccccc32)cc1F ZINC001164744155 720760733 /nfs/dbraw/zinc/76/07/33/720760733.db2.gz RHKNOKRMGIFGNA-ZWKOTPCHSA-N 0 3 460.488 3.707 20 0 JHADHN CSCc1nc2sc3c(c2c(N2CCN4C[C@H](Oc5cncnc5)C[C@H]4C2)n1)CCCC3 ZINC001164742234 720765886 /nfs/dbraw/zinc/76/58/86/720765886.db2.gz NRMNSHUWLASROT-JKSUJKDBSA-N 0 3 468.652 3.565 20 0 JHADHN Fc1ccc(-c2nc(Cl)cc(N3CCN4C[C@H](Oc5cncnc5)C[C@@H]4C3)n2)cc1Cl ZINC001164749986 720799122 /nfs/dbraw/zinc/79/91/22/720799122.db2.gz UYELXLCFMUHLNU-HUUCEWRRSA-N 0 3 461.328 3.721 20 0 JHADHN COc1cc2c(cc1OCc1ccccc1)ncnc2N1C[C@@H]2CCN(Cc3cnn(C)c3)C[C@H]2C1 ZINC001164764320 721092241 /nfs/dbraw/zinc/09/22/41/721092241.db2.gz HFUUWCCSWJFRKP-GOTSBHOMSA-N 0 3 484.604 3.909 20 0 JHADHN COC(=O)c1ccc(-c2ccc(N3CCN4C[C@H](OCc5cccnc5)C[C@H]4C3)nc2C)cc1 ZINC001164870226 721134668 /nfs/dbraw/zinc/13/46/68/721134668.db2.gz BXVKJYFWANHTQX-BJKOFHAPSA-N 0 3 458.562 3.718 20 0 JHADHN Cc1sc2nc(CN3CCCC3)nc(N3C[C@H]4CCN(Cc5cnn(C)c5)C[C@H]4C3)c2c1C ZINC001164771468 721199462 /nfs/dbraw/zinc/19/94/62/721199462.db2.gz QFAHOUXGTOXODX-RTWAWAEBSA-N 0 3 465.671 3.596 20 0 JHADHN CN1CCN(C[C@H]2CCC[C@@]3(CCN(c4ncccc4OCc4ccc(F)cc4)C3)O2)CC1 ZINC001164898339 721440803 /nfs/dbraw/zinc/44/08/03/721440803.db2.gz VSBWGKNUCRSCCG-BVAGGSTKSA-N 0 3 454.590 3.565 20 0 JHADHN COc1cc2nc(Cl)nc(N3CCN4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)c2cc1OC ZINC001164905187 721526019 /nfs/dbraw/zinc/52/60/19/721526019.db2.gz GIJPHSQHMPHFJT-WBVHZDCISA-N 0 3 458.921 3.781 20 0 JHADHN CN(Cc1cccnc1)[C@@H]1CN(c2ccc3c(n2)CCN(Cc2ccccc2)C3)[C@H]2CCCO[C@@H]12 ZINC001164800556 721544184 /nfs/dbraw/zinc/54/41/84/721544184.db2.gz CHFLIVJJHLVBRP-YIKNKFAXSA-N 0 3 469.633 3.903 20 0 JHADHN O=C(c1cccnc1N1CCN2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1)N1CCc2ccccc21 ZINC001164909277 721552789 /nfs/dbraw/zinc/55/27/89/721552789.db2.gz UDKUJJFFYPEFAF-GMAHTHKFSA-N 0 3 458.537 3.766 20 0 JHADHN COc1ccc(-c2ccc(N3CCN4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)nn2)c(OC)c1OC ZINC001164906503 721561806 /nfs/dbraw/zinc/56/18/06/721561806.db2.gz JRIUGJYJYZWHOI-ICSRJNTNSA-N 0 3 480.540 3.650 20 0 JHADHN COc1ccc(-c2ccc(N3CCN4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)nn2)c(OC)c1OC ZINC001164906505 721562229 /nfs/dbraw/zinc/56/22/29/721562229.db2.gz JRIUGJYJYZWHOI-QUCCMNQESA-N 0 3 480.540 3.650 20 0 JHADHN FC(F)(c1nc(Cl)c2ccccc2n1)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164980768 722102606 /nfs/dbraw/zinc/10/26/06/722102606.db2.gz KJAGZRHGDCPZGY-FXAWDEMLSA-N 0 3 459.928 3.950 20 0 JHADHN FC(F)(c1ccc2ncnc(Cl)c2c1)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164981765 722110862 /nfs/dbraw/zinc/11/08/62/722110862.db2.gz VDCMWIVYCSKZLB-UWJYYQICSA-N 0 3 459.928 3.950 20 0 JHADHN COc1ccc2nc(C(F)(F)N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)nc(Cl)c2c1 ZINC001164978859 722145875 /nfs/dbraw/zinc/14/58/75/722145875.db2.gz JZQTXXQPIDDRBM-LAUBAEHRSA-N 0 3 489.954 3.959 20 0 JHADHN C[C@](NC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO)(c1ccc(F)cc1)C(F)(F)F ZINC001311275534 1069313521 /nfs/dbraw/zinc/31/35/21/1069313521.db2.gz WVQIYONMMQAVHK-ZNLUXHQJSA-N 0 3 453.480 3.785 20 0 JHADHN CCC[C@H]1CN(c2nnc(-c3ccc(OC)cc3)n2CC2(O)CCCCC2)CCN1CCOC ZINC001306624289 1069317482 /nfs/dbraw/zinc/31/74/82/1069317482.db2.gz XTDLFWYRNBVCSQ-QFIPXVFZSA-N 0 3 471.646 3.586 20 0 JHADHN CCC[C@@H]1CN(c2nnc(Cc3ccc(F)cc3)n2Cc2ccc(C)nc2)CCN1CCOC ZINC001306628268 1069325819 /nfs/dbraw/zinc/32/58/19/1069325819.db2.gz XWCZLIYOKNBINY-XMMPIXPASA-N 0 3 466.605 3.697 20 0 JHADHN CCCCCn1c(-c2cc3ccccc3o2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 ZINC001306645272 1069356074 /nfs/dbraw/zinc/35/60/74/1069356074.db2.gz WOIILQLVIDSPNX-UHFFFAOYSA-N 0 3 452.603 3.872 20 0 JHADHN CCCCCn1c(-c2cc(Br)cn2C)nnc1N1CCN(C2CCOCC2)CC1 ZINC001306641474 1069352260 /nfs/dbraw/zinc/35/22/60/1069352260.db2.gz LVOCXYICCZWZNG-UHFFFAOYSA-N 0 3 465.440 3.537 20 0 JHADHN Cc1cccc([C@H](CNC(=O)NC[C@H]2CCCCN2Cc2ccccc2)N2CCOCC2)c1 ZINC001311390191 1069358271 /nfs/dbraw/zinc/35/82/71/1069358271.db2.gz CPBBGJDBEBWIKH-FTJBHMTQSA-N 0 3 450.627 3.722 20 0 JHADHN CC[C@@H](CNC(=O)N[C@H](c1nccn1C)c1ccc(F)cc1F)N1CCc2ccccc2C1 ZINC001311393977 1069359971 /nfs/dbraw/zinc/35/99/71/1069359971.db2.gz DZUSCLUAPQIPJH-REWPJTCUSA-N 0 3 453.537 3.924 20 0 JHADHN CCCCN(C)c1nnc(Cc2csc(C)n2)n1Cc1ccccc1CN1CCC(O)CC1 ZINC001306677135 1069400957 /nfs/dbraw/zinc/40/09/57/1069400957.db2.gz QORHKCVSKHVPOL-UHFFFAOYSA-N 0 3 468.671 3.875 20 0 JHADHN O=C(NCc1ccc(OCC(F)(F)F)nc1)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC001311508681 1069414509 /nfs/dbraw/zinc/41/45/09/1069414509.db2.gz FLVJJFKAXVLOST-UHFFFAOYSA-N 0 3 454.415 3.627 20 0 JHADHN CCCCN(C)CCn1c(-c2ccc(Cl)nc2)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 ZINC001306683262 1069415900 /nfs/dbraw/zinc/41/59/00/1069415900.db2.gz QIMMOJSGROYXFW-UHFFFAOYSA-N 0 3 495.093 3.663 20 0 JHADHN CC[C@H](c1ccccc1)N1CCN(C(=O)NC[C@@H](c2cccs2)N2CCN(C)CC2)CC1 ZINC001311569521 1069442036 /nfs/dbraw/zinc/44/20/36/1069442036.db2.gz GAZMFLBFWSAESU-PKTZIBPZSA-N 0 3 455.672 3.515 20 0 JHADHN O=C(NCCCOC[C@H]1CCCO1)N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC001311589367 1069453047 /nfs/dbraw/zinc/45/30/47/1069453047.db2.gz ASWFOYJXOKGFEJ-DSNGMDLFSA-N 0 3 455.574 3.679 20 0 JHADHN CCCCN1CCCC[C@@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)CC1CC1 ZINC001306721578 1069458415 /nfs/dbraw/zinc/45/84/15/1069458415.db2.gz BVPAGKQQKIKIKM-OAQYLSRUSA-N 0 3 459.660 3.849 20 0 JHADHN C[C@H](NC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1)c1ccc(Oc2ccccc2)c(F)c1 ZINC001311619070 1069470020 /nfs/dbraw/zinc/47/00/20/1069470020.db2.gz JJQJEVQWRFDCEI-PGRDOPGGSA-N 0 3 454.546 3.627 20 0 JHADHN CCCCN1CCCC[C@H]1Cn1c(CC(C)(C)C)nnc1N1CCC(S(C)(=O)=O)CC1 ZINC001306728170 1069474391 /nfs/dbraw/zinc/47/43/91/1069474391.db2.gz TUXJYHBXOVIYRB-IBGZPJMESA-N 0 3 453.697 3.535 20 0 JHADHN Cc1ccc(C(=O)Nc2cccc(CNC(=O)N3CCN(C4CCOCC4)C[C@@H]3C)c2)cc1 ZINC001311633791 1069481005 /nfs/dbraw/zinc/48/10/05/1069481005.db2.gz MLVLEJWKHNCJDO-FQEVSTJZSA-N 0 3 450.583 3.642 20 0 JHADHN O=C(CCNC(=O)NC[C@H]1CCCN1Cc1ccccc1)Nc1ccc(Br)cc1 ZINC001311654361 1069490304 /nfs/dbraw/zinc/49/03/04/1069490304.db2.gz PUERZXXFXKTNCA-HXUWFJFHSA-N 0 3 459.388 3.742 20 0 JHADHN CCCCNC(=O)[C@H]1CC[C@@H](C)N(c2nnc(C)n2CCCN2CCc3ccccc3C2)C1 ZINC001306733386 1069492698 /nfs/dbraw/zinc/49/26/98/1069492698.db2.gz WEOZDFCUKRONBK-YKSBVNFPSA-N 0 3 452.647 3.556 20 0 JHADHN CCN(CC)[C@H](CNC(=O)N1C[C@@H](c2ccccc2)[C@H](C(N)=O)C1)c1ccc(C(F)(F)F)cc1 ZINC001311719706 1069518452 /nfs/dbraw/zinc/51/84/52/1069518452.db2.gz YKHRJSXERDEHOQ-BHDDXSALSA-N 0 3 476.543 3.999 20 0 JHADHN CC[C@@H]1Oc2cc([C@H](C)NC(=O)NCC(C)(C)N3CCc4ccccc4C3)ccc2NC1=O ZINC001311719873 1069518793 /nfs/dbraw/zinc/51/87/93/1069518793.db2.gz DQNBQVGXRABFLC-JTSKRJEESA-N 0 3 450.583 3.993 20 0 JHADHN Cc1ccc([C@@H](CNC(=O)NC[C@@H]2CN(Cc3cccc(C)c3)CCO2)N2CCCC2)cc1 ZINC001311767121 1069539130 /nfs/dbraw/zinc/53/91/30/1069539130.db2.gz ZDFUDHNNQXPOHQ-CLJLJLNGSA-N 0 3 450.627 3.641 20 0 JHADHN Cc1ccc([C@H](CNC(=O)NC[C@H]2CN(Cc3cccc(C)c3)CCO2)N2CCCC2)cc1 ZINC001311767124 1069539220 /nfs/dbraw/zinc/53/92/20/1069539220.db2.gz ZDFUDHNNQXPOHQ-UIOOFZCWSA-N 0 3 450.627 3.641 20 0 JHADHN C[C@@H](NC(=O)NCc1cccc(CN2CCN(C)CC2)c1)c1ccc(OCC2CC2)c(F)c1 ZINC001311859441 1069584959 /nfs/dbraw/zinc/58/49/59/1069584959.db2.gz HVCYIADHIVQPEG-LJQANCHMSA-N 0 3 454.590 3.922 20 0 JHADHN CC(C)Oc1ccc([C@@H](CNC(=O)NC[C@H](NC(=O)OC(C)(C)C)C(C)C)N(C)C)cc1 ZINC001311943239 1069623823 /nfs/dbraw/zinc/62/38/23/1069623823.db2.gz AYWPIMOELHXAIH-LEWJYISDSA-N 0 3 450.624 3.925 20 0 JHADHN CCOc1c(OC)cc(Cn2c(C(C)C)nnc2N2CCN(C3CCCC3)CC2)cc1OC ZINC001314156616 1069628442 /nfs/dbraw/zinc/62/84/42/1069628442.db2.gz JZBJDLLKYCDHKM-UHFFFAOYSA-N 0 3 457.619 3.930 20 0 JHADHN CN(C)C(=O)[C@@H]1CCC[C@@H](NC(=O)N(CCN(C)Cc2ccccc2)Cc2ccccc2)C1 ZINC001312027765 1069683017 /nfs/dbraw/zinc/68/30/17/1069683017.db2.gz WAZULZVXXBJJMI-JWQCQUIFSA-N 0 3 450.627 3.977 20 0 JHADHN CN(C)CCN(Cc1ccc(F)c(F)c1)C(=O)NC1CCC(NC(=O)OC(C)(C)C)CC1 ZINC001312055857 1069696146 /nfs/dbraw/zinc/69/61/46/1069696146.db2.gz SSGUABMFKVWRTE-UHFFFAOYSA-N 0 3 454.562 3.874 20 0 JHADHN C[C@@H](NC(=O)N1CCC(C(=O)NCCN(C)Cc2ccccc2)CC1)[C@@H](C)c1ccccc1 ZINC001312153422 1069751975 /nfs/dbraw/zinc/75/19/75/1069751975.db2.gz LDHHWGUICWFDGD-FGZHOGPDSA-N 0 3 450.627 3.848 20 0 JHADHN CCOc1ccc(O[C@@H](C)c2nnc(N3CCN(C4CCOCC4)CC3)n2C[C@H](C)SC)cc1 ZINC001314195628 1069770940 /nfs/dbraw/zinc/77/09/40/1069770940.db2.gz DODMLLUZVMZCPQ-PMACEKPBSA-N 0 3 489.686 3.869 20 0 JHADHN O=C(NCc1ccccc1CN1CCC(O)CC1)NCc1c(Cl)cccc1OC(F)F ZINC001312207489 1069782644 /nfs/dbraw/zinc/78/26/44/1069782644.db2.gz ZPYQAUFNKIYUBJ-UHFFFAOYSA-N 0 3 453.917 3.898 20 0 JHADHN CCN(CCOc1ccc(Br)cc1)C(=O)NC1CCN(CCOC(C)C)CC1 ZINC001312213138 1069785881 /nfs/dbraw/zinc/78/58/81/1069785881.db2.gz WPMWAGCBDHBURX-UHFFFAOYSA-N 0 3 456.425 3.749 20 0 JHADHN CCOc1ccc(O[C@H](C)c2nnc(N3CCN(C(C)(C)C)CC3)n2CCc2cn[nH]c2)cc1 ZINC001314199856 1069789213 /nfs/dbraw/zinc/78/92/13/1069789213.db2.gz RGQYCYSNHWBCSV-LJQANCHMSA-N 0 3 467.618 3.703 20 0 JHADHN CC[C@@H](C)Oc1cc(CNC(=O)NC2CCN(Cc3ccc(NC(C)=O)cc3)CC2)ccn1 ZINC001312374911 1069895296 /nfs/dbraw/zinc/89/52/96/1069895296.db2.gz FHAVMEKCBCERSW-GOSISDBHSA-N 0 3 453.587 3.681 20 0 JHADHN CN1CCC[C@@H]2[C@H]1CCN2C(=O)NCCOc1ccc(Br)cc1C(F)(F)F ZINC001312425094 1069928391 /nfs/dbraw/zinc/92/83/91/1069928391.db2.gz GQAXLLIAHKZBBP-HUUCEWRRSA-N 0 3 450.299 3.725 20 0 JHADHN CN(C)CCN(Cc1cccs1)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@@H]1CN(C)CCO1 ZINC001312427530 1069929651 /nfs/dbraw/zinc/92/96/51/1069929651.db2.gz WMAQJFOBDZQHQJ-SFTDATJTSA-N 0 3 451.036 3.547 20 0 JHADHN Cc1ccccc1CN1CCCN(C(=O)N[C@@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)CC1 ZINC001312440953 1069939145 /nfs/dbraw/zinc/93/91/45/1069939145.db2.gz AVMHXXLFQMYDCZ-JOCHJYFZSA-N 0 3 458.965 3.810 20 0 JHADHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N1C[C@]2(C)CN(C(=O)OC(C)(C)C)C[C@]2(C)C1 ZINC001312456365 1069950783 /nfs/dbraw/zinc/95/07/83/1069950783.db2.gz OMNLIKKXMIRMNV-PELCHIHVSA-N 0 3 456.631 3.795 20 0 JHADHN CN(CCC(=O)Nc1ccc(C(N)=O)c(Cl)c1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC001307425807 1069978720 /nfs/dbraw/zinc/97/87/20/1069978720.db2.gz PADTVTROSFGMTE-IEBWSBKVSA-N 0 3 456.757 3.664 20 0 JHADHN CCOc1ccc(/C=C2/SC(=O)N(CCNC(=O)CN3CCC4(CCCC4)C3)C2=O)cc1 ZINC001307492828 1070016595 /nfs/dbraw/zinc/01/65/95/1070016595.db2.gz QGWYIQCDWNAHRD-HMMYKYKNSA-N 0 3 457.596 3.504 20 0 JHADHN COc1ccc(C2=NO[C@H](CNC(=O)NC[C@H]3CCCCN3Cc3ccccc3)C2)cc1F ZINC001312569359 1070020084 /nfs/dbraw/zinc/02/00/84/1070020084.db2.gz BSUHEDRBQHAHKG-RTWAWAEBSA-N 0 3 454.546 3.681 20 0 JHADHN O=C(CN1CCCC2(C1)CCCCCC2)NCCN1C(=O)S/C(=C\c2cccnc2)C1=O ZINC001307505055 1070022815 /nfs/dbraw/zinc/02/28/15/1070022815.db2.gz AHYUERVADMJFQB-HKWRFOASSA-N 0 3 456.612 3.671 20 0 JHADHN CCCN(CCN1CCCCC1)C(=O)NCCOc1ccc(I)cc1 ZINC001312573949 1070023414 /nfs/dbraw/zinc/02/34/14/1070023414.db2.gz VNSQHWYZBHJIGB-UHFFFAOYSA-N 0 3 459.372 3.578 20 0 JHADHN C[C@@H]1Oc2ccc(C(=O)C3CCN(C[C@H]4CCN(C(=O)OC(C)(C)C)C4)CC3)cc2NC1=O ZINC001307546832 1070045949 /nfs/dbraw/zinc/04/59/49/1070045949.db2.gz UFAXYWNQQREXBS-DLBZAZTESA-N 0 3 457.571 3.558 20 0 JHADHN C[C@@H](c1cccc(S(N)(=O)=O)c1)N(C)CCC(=O)N[C@@H](c1cccs1)c1ccccc1 ZINC001307546850 1070046294 /nfs/dbraw/zinc/04/62/94/1070046294.db2.gz ULEQHRHERZMIFG-GAJHUEQPSA-N 0 3 457.621 3.684 20 0 JHADHN C[C@H](CCc1ccc(I)cc1)NC(=O)NC[C@@H]1CCCCN1C1CC1 ZINC001312628311 1070051651 /nfs/dbraw/zinc/05/16/51/1070051651.db2.gz DKAPUKNBUOHFGD-BEFAXECRSA-N 0 3 455.384 3.928 20 0 JHADHN O=C(Nc1ccc(Br)cn1)[C@H]1CCCN(CCCn2c(=O)[nH]c3ccccc32)C1 ZINC001307571377 1070057171 /nfs/dbraw/zinc/05/71/71/1070057171.db2.gz HKFKDDGLDVSLHB-HNNXBMFYSA-N 0 3 458.360 3.640 20 0 JHADHN CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)N(CC(=O)Nc2cc(C(=O)OC)ccc2C)[C@H]2CCCC[C@@H]12 ZINC001307576646 1070061155 /nfs/dbraw/zinc/06/11/55/1070061155.db2.gz MRADGZOHLWOHRW-YJPCQTTLSA-N 0 3 457.615 3.904 20 0 JHADHN CCOCc1ccccc1Cn1c(C(C)C)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC001314295312 1070078510 /nfs/dbraw/zinc/07/85/10/1070078510.db2.gz JPDBNQAXCOXSMQ-XMMPIXPASA-N 0 3 454.663 3.591 20 0 JHADHN O=C(CN[C@H](C[C@H]1CCOC1)c1ccccc1)Nc1cccc(I)c1 ZINC001307612260 1070081446 /nfs/dbraw/zinc/08/14/46/1070081446.db2.gz HZHDITKXACUSBV-DNVCBOLYSA-N 0 3 450.320 3.987 20 0 JHADHN CN(C)C[C@@H]1COC2(CCCC2)CN1C(=O)N[C@H](c1cncc(Br)c1)C1CC1 ZINC001312684877 1070082081 /nfs/dbraw/zinc/08/20/81/1070082081.db2.gz KFOAXVMOOWAJAI-MOPGFXCFSA-N 0 3 451.409 3.580 20 0 JHADHN C[C@@H](Cc1cccc(O)c1)NC(=O)N1CCC(N2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC001312689337 1070083500 /nfs/dbraw/zinc/08/35/00/1070083500.db2.gz CAZHBDQHCKVLEM-IBGZPJMESA-N 0 3 457.018 3.973 20 0 JHADHN COc1ccccc1C[C@@H](C)N(C)C(=O)NC1CCN(Cc2ccc(NC(C)=O)cc2)CC1 ZINC001312715029 1070092260 /nfs/dbraw/zinc/09/22/60/1070092260.db2.gz FKFRHXKEUUJNKG-LJQANCHMSA-N 0 3 452.599 3.891 20 0 JHADHN Cc1ccccc1[C@@H](CC(C)C)NCC(=O)NN1C(=O)N[C@](C)(CCc2ccccc2)C1=O ZINC001307635404 1070092699 /nfs/dbraw/zinc/09/26/99/1070092699.db2.gz TTYXQEXIFHPFLK-ATIYNZHBSA-N 0 3 450.583 3.646 20 0 JHADHN CSc1ccc([C@H](CNC(=O)NC[C@H](CO)Cc2cc(F)c(F)c(F)c2)N(C)C)cc1 ZINC001312755508 1070105080 /nfs/dbraw/zinc/10/50/80/1070105080.db2.gz OUSAHKPALVULAC-QRWLVFNGSA-N 0 3 455.546 3.579 20 0 JHADHN O=C(CN[C@@]1(Cc2ccc(Cl)cc2)CCOC1)Nc1ccccc1C(=O)NC1CCCC1 ZINC001307712736 1070139597 /nfs/dbraw/zinc/13/95/97/1070139597.db2.gz NAVOUGJAKRCVLX-RUZDIDTESA-N 0 3 455.986 3.942 20 0 JHADHN CCOC(=O)c1sc([C@@H]2CCN(C(=O)N[C@@H]3CCN(Cc4ccccc4)[C@@H]3C)C2)nc1C ZINC001312818605 1070140411 /nfs/dbraw/zinc/14/04/11/1070140411.db2.gz ZHQQMOHMGKXSJS-MISYRCLQSA-N 0 3 456.612 3.790 20 0 JHADHN CCN(CC(=O)Nc1ccccc1C(=O)Nc1ccc2c(c1)OCO2)[C@H]1CCOC(C)(C)C1 ZINC001307810587 1070194087 /nfs/dbraw/zinc/19/40/87/1070194087.db2.gz CYNZVPLKDJFOBM-SFHVURJKSA-N 0 3 453.539 3.886 20 0 JHADHN COc1ccc([C@H](Cc2ccccc2)NCC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC001307814150 1070196075 /nfs/dbraw/zinc/19/60/75/1070196075.db2.gz UMAXXZRROWUITE-QHCPKHFHSA-N 0 3 453.583 3.648 20 0 JHADHN CC(C)(C)OC(=O)NCCCCCCN1CCN([C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001307820156 1070199274 /nfs/dbraw/zinc/19/92/74/1070199274.db2.gz ZCGFUHUKKSTPJA-FQEVSTJZSA-N 0 3 454.656 3.699 20 0 JHADHN Cc1ccc(NC(=O)CCN(Cc2ccccc2)[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2O)cc1F ZINC001307827183 1070202501 /nfs/dbraw/zinc/20/25/01/1070202501.db2.gz PBAMZCPYTPJUQU-DHIUTWEWSA-N 0 3 471.573 3.945 20 0 JHADHN CCOCc1nnc(N2CCC[C@H](n3nc(C)cc3C)C2)n1C[C@@H](c1ccc(F)cc1)N(C)C ZINC001314370373 1070207467 /nfs/dbraw/zinc/20/74/67/1070207467.db2.gz WPHQXAAOUPDACP-GOTSBHOMSA-N 0 3 469.609 3.911 20 0 JHADHN CCOCc1nnc(N2CCC[C@@H](Oc3ncccc3F)C2)n1C[C@@H](c1ccccc1)N(C)C ZINC001314372730 1070209699 /nfs/dbraw/zinc/20/96/99/1070209699.db2.gz ZNTAXBVPYDSHAO-IRLDBZIGSA-N 0 3 468.577 3.699 20 0 JHADHN CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1NCC(=O)NCCOc1cccc(C(F)(F)F)c1 ZINC001307862762 1070215698 /nfs/dbraw/zinc/21/56/98/1070215698.db2.gz JHWJAESMPPGLRJ-QZTJIDSGSA-N 0 3 459.509 3.626 20 0 JHADHN CC(C)(C)OC(=O)N[C@@H]1C[C@@H](N[C@@H]2CCN(c3cccc(Br)c3)C2=O)C1(C)C ZINC001307888873 1070226794 /nfs/dbraw/zinc/22/67/94/1070226794.db2.gz YWVBKNADWSAGNZ-BRWVUGGUSA-N 0 3 452.393 3.836 20 0 JHADHN CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)N[C@@H]1CCC[C@@H]1Cc1cnn(C)c1 ZINC001313033876 1070228407 /nfs/dbraw/zinc/22/84/07/1070228407.db2.gz QBRXXGPPVQGPDE-TZIWHRDSSA-N 0 3 451.537 3.924 20 0 JHADHN Cc1cc(C2CCN(C(=O)NC3CCN([C@@H]4CCOC4)CC3)CC2)ccc1Br ZINC001313044703 1070233479 /nfs/dbraw/zinc/23/34/79/1070233479.db2.gz BCDKYWZXVALKLZ-HXUWFJFHSA-N 0 3 450.421 3.900 20 0 JHADHN CC(C)c1ccc2c(c1)CN(CCC(=O)Nc1cccc(S(=O)(=O)N3CCCC3)c1)CC2 ZINC001307912450 1070236993 /nfs/dbraw/zinc/23/69/93/1070236993.db2.gz WBUHVLJXBROWSH-UHFFFAOYSA-N 0 3 455.624 3.981 20 0 JHADHN Cc1nn(C)c(C)c1NC(=O)[C@@H](C)N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccccc1 ZINC001307918533 1070239966 /nfs/dbraw/zinc/23/99/66/1070239966.db2.gz KVAFPHKZWMNXMN-DUXKGJEZSA-N 0 3 455.603 3.747 20 0 JHADHN COc1cc(OC)c(NC(=O)CCN2CC3CC2(CNC(=O)OC(C)(C)C)C3)cc1Cl ZINC001307931189 1070247861 /nfs/dbraw/zinc/24/78/61/1070247861.db2.gz XJSVWBIUDCRGMT-UHFFFAOYSA-N 0 3 453.967 3.675 20 0 JHADHN CCOCc1nnc(N2CCN(C3CCOCC3)C[C@@H]2C)n1C[C@@H](OC)c1ccc(Cl)cc1 ZINC001314393926 1070251460 /nfs/dbraw/zinc/25/14/60/1070251460.db2.gz KDWXQMKXXRWOKC-PGRDOPGGSA-N 0 3 478.037 3.545 20 0 JHADHN CCOCc1nnc(N2CCN(C3CCOCC3)C[C@H]2C)n1C[C@H](CC)Oc1ccccc1F ZINC001314394018 1070251500 /nfs/dbraw/zinc/25/15/00/1070251500.db2.gz LPJQVLCBNFLWOB-CTNGQTDRSA-N 0 3 475.609 3.501 20 0 JHADHN CC(C)(C)OC(=O)N1CC[C@@H](OCC2CCN(C[C@H]3CN(c4ccccc4)C(=O)O3)CC2)C1 ZINC001307979189 1070268011 /nfs/dbraw/zinc/26/80/11/1070268011.db2.gz CHEWUGGKFPHOIP-YADHBBJMSA-N 0 3 459.587 3.750 20 0 JHADHN CC(C)(C)OC(=O)N(CCO)C1CCN(CCc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC001307991321 1070272196 /nfs/dbraw/zinc/27/21/96/1070272196.db2.gz YADWRXRBRNEKLA-UHFFFAOYSA-N 0 3 450.967 3.626 20 0 JHADHN Cc1ccc(CN2CCO[C@@H](CNC(=O)NC[C@@H]3CCCCN3Cc3ccccc3)C2)cc1 ZINC001313169278 1070278395 /nfs/dbraw/zinc/27/83/95/1070278395.db2.gz JLJCXSJNTSQVJL-UIOOFZCWSA-N 0 3 450.627 3.550 20 0 JHADHN COc1ccc(C[C@](C)(CO)NCC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)cc1 ZINC001308117725 1070319325 /nfs/dbraw/zinc/31/93/25/1070319325.db2.gz LLUUKMLUWOKCFJ-HSZRJFAPSA-N 0 3 450.501 3.788 20 0 JHADHN CN(C)CCN(Cc1ccccc1)C(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CCC1(F)F ZINC001313292691 1070319359 /nfs/dbraw/zinc/31/93/59/1070319359.db2.gz YUGRWYHIDMCGIR-IBGZPJMESA-N 0 3 454.562 3.652 20 0 JHADHN Cc1cccnc1[C@H](NCCC(=O)Nc1ccc(S(=O)(=O)N2CCCC2)cc1)C(C)(C)C ZINC001308145880 1070328682 /nfs/dbraw/zinc/32/86/82/1070328682.db2.gz VAKZCMFFRDXSIE-QHCPKHFHSA-N 0 3 458.628 3.880 20 0 JHADHN COc1c(Br)cc(CN[C@@H]2CCC[C@@H](S(C)(=O)=O)C2)cc1Br ZINC001308277394 1070349708 /nfs/dbraw/zinc/34/97/08/1070349708.db2.gz MKPBFUQWTDWEOQ-VXGBXAGGSA-N 0 3 455.212 3.666 20 0 JHADHN CCOCCCn1c(-c2ccccc2Cl)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC001314458580 1070360462 /nfs/dbraw/zinc/36/04/62/1070360462.db2.gz DTOLGIHNOATMJF-HXUWFJFHSA-N 0 3 461.054 3.630 20 0 JHADHN CC(C)[C@@H](NCc1cnc(-c2ccc(Cl)cc2)s1)C(=O)N(C)Cc1nnc2n1CCC2 ZINC001308391237 1070366421 /nfs/dbraw/zinc/36/64/21/1070366421.db2.gz WCWYEFKIEHNDBV-HXUWFJFHSA-N 0 3 459.019 3.774 20 0 JHADHN CCOCCOc1ccc(Br)cc1CN[C@@H]1[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]21 ZINC001308419831 1070372843 /nfs/dbraw/zinc/37/28/43/1070372843.db2.gz IQGUIHRITJEDIH-DZFIZOCASA-N 0 3 455.393 3.819 20 0 JHADHN CC(C)C[C@H](NCc1ccc(OC(F)(F)F)c(Br)c1)C(=O)N1CCOCC1 ZINC001308447446 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PHXMDDYQASIWHS-FQEVSTJZSA-N 0 3 457.571 3.601 20 0 JHADHN CCCNC(=O)CCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1C[C@H](C)N(CC)C[C@H]1C ZINC001313476823 1070482602 /nfs/dbraw/zinc/48/26/02/1070482602.db2.gz JRGMDGSYOVQPSJ-GBESFXJTSA-N 0 3 472.703 3.967 20 0 JHADHN CCS(=O)(=O)C[C@H](C)N(C)c1nnc(-c2cccc3cccnc32)n1C[C@H]1CCCN(C(C)C)C1 ZINC001314515275 1070485426 /nfs/dbraw/zinc/48/54/26/1070485426.db2.gz FHPDINHXSDDENM-SFTDATJTSA-N 0 3 498.697 3.873 20 0 JHADHN CCCNC(=O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCN(C2CCC(C)CC2)CC1 ZINC001313487931 1070505436 /nfs/dbraw/zinc/50/54/36/1070505436.db2.gz PMXBCJCGSKAIOF-NYLDSWQDSA-N 0 3 486.636 3.784 20 0 JHADHN CCOc1ccc(S(=O)(=O)NCc2ccccc2CN2CCN(CC)CC2)cc1C(C)C ZINC001309053513 1070510259 /nfs/dbraw/zinc/51/02/59/1070510259.db2.gz PEIHVHGLRIPVSB-UHFFFAOYSA-N 0 3 459.656 3.825 20 0 JHADHN O=S(=O)(CCc1ccccc1Br)NC[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001309112219 1070545384 /nfs/dbraw/zinc/54/53/84/1070545384.db2.gz FCDLCVLTQXQKOP-IBGZPJMESA-N 0 3 451.430 3.823 20 0 JHADHN C[C@H](NC(C)(C)CNS(=O)(=O)c1ccc(OC[C@H]2CCOC2)c(F)c1)c1ccccc1 ZINC001309154546 1070572757 /nfs/dbraw/zinc/57/27/57/1070572757.db2.gz QJLZPPJNMUSPBM-ROUUACIJSA-N 0 3 450.576 3.649 20 0 JHADHN CC[S@](=O)CCn1c(-c2ccc(C)o2)nnc1N(C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001314565192 1070570337 /nfs/dbraw/zinc/57/03/37/1070570337.db2.gz ZWFUKPKFXVDJKD-MNAQKMTRSA-N 0 3 455.628 3.716 20 0 JHADHN CC[S@](=O)CCn1c(-c2cccc(C)n2)nnc1N(C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001314571101 1070577092 /nfs/dbraw/zinc/57/70/92/1070577092.db2.gz KUZHEVROWXIBFF-KATKFWMUSA-N 0 3 466.655 3.518 20 0 JHADHN CCCOc1ccc(Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCN(C(C)(C)C)CC2)cc1 ZINC001313517748 1070580430 /nfs/dbraw/zinc/58/04/30/1070580430.db2.gz RCGYHKAFKGVXRX-GMAHTHKFSA-N 0 3 471.646 3.760 20 0 JHADHN CCCO[C@@H]1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](c2ccc(C)cc2)N(C)C)CC1 ZINC001313529357 1070609624 /nfs/dbraw/zinc/60/96/24/1070609624.db2.gz RPRAUVFTGKXSAS-VJBWXMMDSA-N 0 3 468.646 3.626 20 0 JHADHN CCC(O)(CC)CNS(=O)(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1 ZINC001309220717 1070620495 /nfs/dbraw/zinc/62/04/95/1070620495.db2.gz VNCQXFFSXFALQI-FCHUYYIVSA-N 0 3 451.032 3.779 20 0 JHADHN CCC[C@@H]1C[C@H]1n1c(Cc2ccccc2C)nnc1N1CCN(C(=O)CN(CC)CC)CC1 ZINC001313539714 1070632729 /nfs/dbraw/zinc/63/27/29/1070632729.db2.gz IHRHZWDFNCCTCU-DHIUTWEWSA-N 0 3 452.647 3.529 20 0 JHADHN CSc1ccc(Oc2ccc(S(=O)(=O)NCC3(O)CCN(C(C)C)CC3)cc2)cc1 ZINC001309313278 1070691727 /nfs/dbraw/zinc/69/17/27/1070691727.db2.gz UPPHQNWFJFTHHL-UHFFFAOYSA-N 0 3 450.626 3.714 20 0 JHADHN CCN(c1nnc(-c2cccc(Cl)c2)n1CCCN1CCCC[C@H]1C)[C@H]1CCS(=O)(=O)C1 ZINC001313583673 1070706530 /nfs/dbraw/zinc/70/65/30/1070706530.db2.gz INBVLBDHCDXISY-NQIIRXRSSA-N 0 3 480.078 3.876 20 0 JHADHN CCN(c1nnc(-c2cc3c(s2)CCCCC3)n1CCN(C)C(C)C)[C@H]1CCS(=O)(=O)C1 ZINC001313584957 1070709488 /nfs/dbraw/zinc/70/94/88/1070709488.db2.gz RDMCHFSMPNYWCF-IBGZPJMESA-N 0 3 479.716 3.629 20 0 JHADHN CN(C)C(=O)[C@H]1CCCN1CCCn1c(CC(C)(C)C)nnc1Nc1cnn(CC2CCC2)c1 ZINC001314629732 1070728803 /nfs/dbraw/zinc/72/88/03/1070728803.db2.gz SREVYMZIGRFQHB-OAQYLSRUSA-N 0 3 470.666 3.550 20 0 JHADHN CCN(c1nnc(CNC(=O)c2cccs2)n1CCCN1CCc2ccccc2C1)C(C)C ZINC001313617325 1070741677 /nfs/dbraw/zinc/74/16/77/1070741677.db2.gz LCCLXCDKYRHDPF-UHFFFAOYSA-N 0 3 466.655 3.953 20 0 JHADHN CN(C)[C@@H](Cn1c(-c2cccn2C)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1)c1cccs1 ZINC001314649120 1070754087 /nfs/dbraw/zinc/75/40/87/1070754087.db2.gz RZVRPOWCPZGDGA-HKUYNNGSSA-N 0 3 485.658 3.751 20 0 JHADHN CN(C)[C@H](Cn1c(CC(C)(C)C)nnc1N1CCC(N2CCCNC2=O)CC1)c1ccccc1 ZINC001314650212 1070758148 /nfs/dbraw/zinc/75/81/48/1070758148.db2.gz GXWCNYRSRQVSBU-JOCHJYFZSA-N 0 3 467.662 3.554 20 0 JHADHN CN(C)[C@@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C(C)(C)C)CC1)c1c(F)cccc1F ZINC001314649409 1070755585 /nfs/dbraw/zinc/75/55/85/1070755585.db2.gz BADMIGHZZBHGFW-NQIIRXRSSA-N 0 3 476.616 3.674 20 0 JHADHN CN(C)[C@@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)[C@H]1CCS(=O)(=O)C1)C1CCCCC1 ZINC001314649364 1070755642 /nfs/dbraw/zinc/75/56/42/1070755642.db2.gz VZHHKGTVAFPMKT-RXVVDRJESA-N 0 3 498.068 3.871 20 0 JHADHN CN(C)[C@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)[C@H]1CCS(=O)(=O)C1)C1CCCCC1 ZINC001314649362 1070755656 /nfs/dbraw/zinc/75/56/56/1070755656.db2.gz VZHHKGTVAFPMKT-GHTZIAJQSA-N 0 3 498.068 3.871 20 0 JHADHN CN(C)[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCN(CC(F)F)CC1)c1ccc(F)cc1 ZINC001314649888 1070757324 /nfs/dbraw/zinc/75/73/24/1070757324.db2.gz XWFGGFJEJXHBNA-IBGZPJMESA-N 0 3 493.965 3.823 20 0 JHADHN CN(C)[C@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@H]1CCOC1)c1ccc(F)cc1 ZINC001314651170 1070760791 /nfs/dbraw/zinc/76/07/91/1070760791.db2.gz AWNICYOIFWBORV-DXBBTUNJSA-N 0 3 459.610 3.864 20 0 JHADHN CCN(CC(C)C)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](c1ccc(OC)cc1)N1CCCC1 ZINC001313630468 1070760993 /nfs/dbraw/zinc/76/09/93/1070760993.db2.gz NQDQJFWBZVOSRS-FGZHOGPDSA-N 0 3 454.619 3.557 20 0 JHADHN CCN(CC(C)C)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](c1ccc(OC)cc1)N1CCCC1 ZINC001313630470 1070761561 /nfs/dbraw/zinc/76/15/61/1070761561.db2.gz NQDQJFWBZVOSRS-YADHBBJMSA-N 0 3 454.619 3.557 20 0 JHADHN CN(C)[C@@H](Cn1c(CNC(=O)c2cccs2)nnc1N(C)[C@@H]1CCSC1)c1ccc(F)cc1 ZINC001314652138 1070762372 /nfs/dbraw/zinc/76/23/72/1070762372.db2.gz DNIXOHPAYHULHW-MOPGFXCFSA-N 0 3 488.658 3.653 20 0 JHADHN CN(C)[C@@H](Cn1c(C2CCCC2)nnc1N1CCC(CCC(N)=O)CC1)c1ccc(F)cc1 ZINC001314653136 1070764882 /nfs/dbraw/zinc/76/48/82/1070764882.db2.gz XNEYMWOPOKKFAX-QFIPXVFZSA-N 0 3 456.610 3.860 20 0 JHADHN CN(C)[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CCC(OC(C)(C)C)CC1)c1cccs1 ZINC001314654171 1070768340 /nfs/dbraw/zinc/76/83/40/1070768340.db2.gz IOUDCMUOESEWEF-IBGZPJMESA-N 0 3 474.675 3.549 20 0 JHADHN CN(C)[C@@H](Cn1c(N2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)nnc1C(C)(C)C)c1ccccc1 ZINC001314654668 1070769484 /nfs/dbraw/zinc/76/94/84/1070769484.db2.gz VQHQHXBUTLJBQJ-SFTDATJTSA-N 0 3 486.661 3.608 20 0 JHADHN CN(C)[C@@H](Cn1c(N2CCO[C@H](CNC(=O)OC(C)(C)C)C2)nnc1C(C)(C)C)c1ccccc1 ZINC001314654666 1070769813 /nfs/dbraw/zinc/76/98/13/1070769813.db2.gz VQHQHXBUTLJBQJ-RTWAWAEBSA-N 0 3 486.661 3.608 20 0 JHADHN CCN(CC)C(=O)c1ccc(Cn2c(CC(C)(C)C)nnc2N2CCN(C[C@H]3CCOC3)CC2)cc1 ZINC001313635474 1070770405 /nfs/dbraw/zinc/77/04/05/1070770405.db2.gz GOSBXUOOSADKMN-HSZRJFAPSA-N 0 3 496.700 3.556 20 0 JHADHN CN(C)[C@H](Cn1c(CC(C)(C)C)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1)c1cccc(F)c1 ZINC001314654932 1070771053 /nfs/dbraw/zinc/77/10/53/1070771053.db2.gz IZKFWKNUSDVTNJ-DENIHFKCSA-N 0 3 470.637 3.804 20 0 JHADHN CN(C)[C@H](Cn1c(Cc2c(F)cccc2F)nnc1N1CCC(CO)CC1)c1cccs1 ZINC001314655134 1070771469 /nfs/dbraw/zinc/77/14/69/1070771469.db2.gz IZVUGBOHMCIVJZ-HXUWFJFHSA-N 0 3 461.582 3.720 20 0 JHADHN CN(C)[C@H](Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)NC(C)(C)C)CC1)c1ccc(F)cc1 ZINC001314655456 1070772010 /nfs/dbraw/zinc/77/20/10/1070772010.db2.gz LBXJMBJBQNBQOU-OAQYLSRUSA-N 0 3 487.668 3.939 20 0 JHADHN Cc1ccc([C@@H]2CN(Cc3ccccc3)C[C@H]2S(=O)(=O)NC[C@H](O)c2ccc(F)cc2)cc1 ZINC001309452142 1070779042 /nfs/dbraw/zinc/77/90/42/1070779042.db2.gz NYDUJKWJOCYDCU-KKUQBAQOSA-N 0 3 468.594 3.755 20 0 JHADHN CCOC(=O)c1oc2ccc(S(=O)(=O)NC[C@@H]3CCN(Cc4ccccc4)C3)cc2c1C ZINC001309461627 1070783585 /nfs/dbraw/zinc/78/35/85/1070783585.db2.gz ULYXRJJWPMGVAD-IBGZPJMESA-N 0 3 456.564 3.718 20 0 JHADHN CCN(CC)[C@H](C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC2(CCCC2)C1 ZINC001313657483 1070855427 /nfs/dbraw/zinc/85/54/27/1070855427.db2.gz MEZWGKGNQGCSOG-LJQANCHMSA-N 0 3 459.660 3.849 20 0 JHADHN CCN(CC)[C@H](C)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 ZINC001313657104 1070853525 /nfs/dbraw/zinc/85/35/25/1070853525.db2.gz JFBPTZTZUZITTN-NQIIRXRSSA-N 0 3 461.676 3.596 20 0 JHADHN CCN(CC)[C@@H](Cn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1CCN(C)C(=O)C1)c1ccco1 ZINC001313666462 1070883807 /nfs/dbraw/zinc/88/38/07/1070883807.db2.gz XBUXQLVPHKXKNC-VXKWHMMOSA-N 0 3 494.640 3.989 20 0 JHADHN CCN(CC)[C@H](C)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 ZINC001313667100 1070887827 /nfs/dbraw/zinc/88/78/27/1070887827.db2.gz IRNFYQXFCDOZOR-VQIMIIECSA-N 0 3 486.107 3.577 20 0 JHADHN CCN(CC)[C@@H](Cn1c(-c2ccc(C)o2)nnc1N1CCC[C@H](NC(C)=O)C1)c1ccco1 ZINC001313671613 1070900292 /nfs/dbraw/zinc/90/02/92/1070900292.db2.gz ATLWGIIBMZQZMC-PMACEKPBSA-N 0 3 454.575 3.628 20 0 JHADHN CCN(CC)[C@H](Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC(C(N)=O)CC1)c1ccco1 ZINC001313671886 1070901700 /nfs/dbraw/zinc/90/17/00/1070901700.db2.gz CHGAHZAXZRRPTA-HXUWFJFHSA-N 0 3 471.005 3.976 20 0 JHADHN CCN(CC)[C@H](Cn1c(COc2cccc(C)c2)nnc1N1CCN(C)C(=O)[C@H]1C)c1ccsc1 ZINC001313674430 1070911740 /nfs/dbraw/zinc/91/17/40/1070911740.db2.gz JGQAZONREJNGIV-NFBKMPQASA-N 0 3 496.681 3.977 20 0 JHADHN CCN(CC)[C@@H](Cn1c(N2CCOC(C)(C)C2)nnc1[C@]1(OC(C)C)CCOC1)c1ccco1 ZINC001313674800 1070912553 /nfs/dbraw/zinc/91/25/53/1070912553.db2.gz KSAXUHKJTHUTRW-CPJSRVTESA-N 0 3 475.634 3.610 20 0 JHADHN CCN(CC)[C@@H](Cn1c(-c2ccc(C)o2)nnc1N1CCC(NC(C)=O)CC1)c1ccco1 ZINC001313674956 1070914112 /nfs/dbraw/zinc/91/41/12/1070914112.db2.gz QONUKBLZZWFUJD-FQEVSTJZSA-N 0 3 454.575 3.628 20 0 JHADHN CCN(CC)[C@@H](Cn1c(-c2cccc(C)n2)nnc1N1CCC(C(=O)OC)CC1)c1ccco1 ZINC001313675207 1070914938 /nfs/dbraw/zinc/91/49/38/1070914938.db2.gz YCGPPEAIVMICRG-NRFANRHFSA-N 0 3 466.586 3.714 20 0 JHADHN CCN(CC)[C@@H](Cn1c(CC(C)(C)C)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1)c1ccsc1 ZINC001313676167 1070919743 /nfs/dbraw/zinc/91/97/43/1070919743.db2.gz CXMAOBZOSSDSFS-AABGKKOBSA-N 0 3 474.675 3.946 20 0 JHADHN CCN(CC)[C@H](Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)C(C)C)CC1)c1ccco1 ZINC001313675770 1070917932 /nfs/dbraw/zinc/91/79/32/1070917932.db2.gz BOUBZJCXRJCXDC-HXUWFJFHSA-N 0 3 458.651 3.847 20 0 JHADHN CCN(CC)[C@H](Cn1c(CC(C)(C)C)nnc1N1CC[C@@](C)(C(=O)NC)C1)c1ccsc1 ZINC001313678347 1070929400 /nfs/dbraw/zinc/92/94/00/1070929400.db2.gz NXMZFRZEIQYDBL-NTKDMRAZSA-N 0 3 460.692 3.974 20 0 JHADHN CN(Cc1ccc(Cl)c(F)c1)c1nnc([C@@H]2CCCCO2)n1CCN1CCN(C)C(C)(C)C1 ZINC001314727738 1070939437 /nfs/dbraw/zinc/93/94/37/1070939437.db2.gz DQCUSQGIXVIHNZ-NRFANRHFSA-N 0 3 479.044 3.975 20 0 JHADHN CCN(CC)[C@@H](Cn1c(Cc2ccncc2)nnc1N1CCC(CO)CC1)c1ccsc1 ZINC001313680193 1070937747 /nfs/dbraw/zinc/93/77/47/1070937747.db2.gz RSSKSKHLRJSKLL-QFIPXVFZSA-N 0 3 454.644 3.617 20 0 JHADHN CCC1CCN(S(=O)(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2c2ccc(OC)cc2)CC1 ZINC001309749416 1070952361 /nfs/dbraw/zinc/95/23/61/1070952361.db2.gz NBFBMJIIPSVODX-LOSJGSFVSA-N 0 3 457.640 3.620 20 0 JHADHN CCN(CC)CC(=O)N1CCN(c2nnc(COc3cc(C)ccc3C)n2C[C@@H]2CC2(C)C)CC1 ZINC001313698541 1070971107 /nfs/dbraw/zinc/97/11/07/1070971107.db2.gz HBDREAAQJPXWEX-QFIPXVFZSA-N 0 3 482.673 3.510 20 0 JHADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccccc3C)n2CC2(OC)CCC(C)CC2)CC1 ZINC001313698959 1070972577 /nfs/dbraw/zinc/97/25/77/1070972577.db2.gz GEJFHKQWYCSADG-UHFFFAOYSA-N 0 3 496.700 3.839 20 0 JHADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccccc3C)n2C[C@H]2CCSC2(C)C)CC1 ZINC001313699869 1070975311 /nfs/dbraw/zinc/97/53/11/1070975311.db2.gz QRZWRBBFYQIZLN-OAQYLSRUSA-N 0 3 484.714 3.776 20 0 JHADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3cccc(Cl)c3)n2CCCC(F)(F)F)CC1 ZINC001313700968 1070978731 /nfs/dbraw/zinc/97/87/31/1070978731.db2.gz OTWHKEWYIQBVRG-UHFFFAOYSA-N 0 3 486.970 3.931 20 0 JHADHN CCN(CC)CC(=O)N1CCN(c2nnc(C(C)(C)C)n2Cc2ccccc2N2CCCCC2)CC1 ZINC001313701095 1070978785 /nfs/dbraw/zinc/97/87/85/1070978785.db2.gz QYMKVGZZNXWAKX-UHFFFAOYSA-N 0 3 495.716 3.605 20 0 JHADHN CCN(CC)CC(=O)N1CCN(c2nnc(C(C)(C)C)n2C[C@@H](OC)c2ccc(Cl)cc2)CC1 ZINC001313700966 1070978885 /nfs/dbraw/zinc/97/88/85/1070978885.db2.gz OTTVWNARNPKJDX-OAQYLSRUSA-N 0 3 491.080 3.607 20 0 JHADHN CCN(CC)CC(=O)N1CCN(c2nnc(C3CCCC3)n2Cc2ccc(Cl)s2)CC1 ZINC001313704228 1070989794 /nfs/dbraw/zinc/98/97/94/1070989794.db2.gz LLNOILRZXVXDMD-UHFFFAOYSA-N 0 3 465.067 3.689 20 0 JHADHN CCN(Cc1c(F)cccc1F)c1nnc(-c2cccc(C)n2)n1CCN1CCN(C)C(C)(C)C1 ZINC001313728210 1071038870 /nfs/dbraw/zinc/03/88/70/1071038870.db2.gz DBOYOOAFAULFOG-UHFFFAOYSA-N 0 3 483.611 3.979 20 0 JHADHN CCN1CCN(c2ccc(NC(=O)N[C@H](CC(C)C)C(=O)Nc3nccs3)c(C)c2)CC1 ZINC001310017928 1071062513 /nfs/dbraw/zinc/06/25/13/1071062513.db2.gz BOJZVUBYPVBPJI-HXUWFJFHSA-N 0 3 458.632 3.768 20 0 JHADHN CCN1CCN(c2ccc(NC(=O)N[C@H](c3cnn(C)c3)c3ccc(F)cc3)c(C)c2)CC1 ZINC001310018003 1071063057 /nfs/dbraw/zinc/06/30/57/1071063057.db2.gz BZAKBEYGHMZBGS-DEOSSOPVSA-N 0 3 450.562 3.921 20 0 JHADHN CN(C)c1ccc(NC(=O)N[C@@H]2CCN(Cc3ccccc3)C[C@@H]2CO)c(C(F)(F)F)c1 ZINC001310106121 1071121003 /nfs/dbraw/zinc/12/10/03/1071121003.db2.gz VQNJVPGLDKDZRW-YLJYHZDGSA-N 0 3 450.505 3.776 20 0 JHADHN CCN(C[C@@H]1CCCO1)c1nnc([C@@H]2CCCCO2)n1C[C@@H](c1cccc(OC)c1)N(C)C ZINC001313781120 1071145549 /nfs/dbraw/zinc/14/55/49/1071145549.db2.gz SFMBDYQVWMLBDP-VABKMULXSA-N 0 3 457.619 3.837 20 0 JHADHN CCOc1cc(C)ccc1NC(=O)N1CCC(C(=O)NCCN(C)Cc2ccccc2)CC1 ZINC001310151349 1071157376 /nfs/dbraw/zinc/15/73/76/1071157376.db2.gz OWFCQCJDPJXTNF-UHFFFAOYSA-N 0 3 452.599 3.886 20 0 JHADHN COC(=O)COc1cccc(NC(=O)N(CCN(C)C)Cc2cccc(C(F)(F)F)c2)c1 ZINC001310199231 1071202223 /nfs/dbraw/zinc/20/22/23/1071202223.db2.gz RKSGDMIRCXPCSM-UHFFFAOYSA-N 0 3 453.461 3.853 20 0 JHADHN COc1ccc(OC)c([C@@H](O)[C@@H](C)NC(=O)Nc2ccc(CCN3CCSCC3)cc2)c1 ZINC001310217937 1071214926 /nfs/dbraw/zinc/21/49/26/1071214926.db2.gz NUBNTCHMARRYTB-HXOBKFHXSA-N 0 3 459.612 3.539 20 0 JHADHN CCN(CCn1c(-c2ccccc2C)nnc1N1CCC2(CNC(=O)C2)CC1)CCC(F)(F)F ZINC001313807477 1071228650 /nfs/dbraw/zinc/22/86/50/1071228650.db2.gz OUPXSJUWFVCSNV-UHFFFAOYSA-N 0 3 478.563 3.634 20 0 JHADHN CCN(CCn1c(-c2ccccc2)nnc1N1C[C@@H](C)O[C@@]2(CCOC2)C1)CCC(F)(F)F ZINC001313807715 1071229542 /nfs/dbraw/zinc/22/95/42/1071229542.db2.gz WHLGCJNNHPMEPI-GCJKJVERSA-N 0 3 467.536 3.604 20 0 JHADHN Cc1ccc(C(=O)N2CCSCC2)cc1NC(=O)N[C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC001310253039 1071239519 /nfs/dbraw/zinc/23/95/19/1071239519.db2.gz YRFAQCMGMIYAPY-KNQAVFIVSA-N 0 3 452.624 3.969 20 0 JHADHN CCN(CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1)C(C)C ZINC001313810267 1071240156 /nfs/dbraw/zinc/24/01/56/1071240156.db2.gz UZTQODIBIGXQFT-LJQANCHMSA-N 0 3 498.093 3.741 20 0 JHADHN CCN(CCn1c(-c2cccn2C)nnc1N1CCC[C@H](c2ccnn2C)C1)CCC(F)(F)F ZINC001313810188 1071240441 /nfs/dbraw/zinc/24/04/41/1071240441.db2.gz LWULOAVEYHMZGG-SFHVURJKSA-N 0 3 478.567 3.675 20 0 JHADHN CCN(CCn1c(-c2ccccc2F)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1)CCC(F)(F)F ZINC001313809394 1071236852 /nfs/dbraw/zinc/23/68/52/1071236852.db2.gz XHYPOYQHLHWWEF-QGZVFWFLSA-N 0 3 496.553 3.854 20 0 JHADHN CN(CCn1c(-c2cc(Br)c[nH]2)nnc1N(C)Cc1ccon1)Cc1ccc(F)cc1 ZINC001314858347 1071243528 /nfs/dbraw/zinc/24/35/28/1071243528.db2.gz CUFLRCWTNVFIRC-UHFFFAOYSA-N 0 3 488.365 3.931 20 0 JHADHN CN(CCn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CCC(C)(C)C)CC1)c1ccccc1 ZINC001314858847 1071245776 /nfs/dbraw/zinc/24/57/76/1071245776.db2.gz RWCFSSNDULVUGH-UHFFFAOYSA-N 0 3 490.656 3.620 20 0 JHADHN CN(CCn1c(-c2cnn(C)c2)nnc1N1CC=C(C(F)(F)F)CC1)Cc1ccc(F)cc1 ZINC001314861827 1071253887 /nfs/dbraw/zinc/25/38/87/1071253887.db2.gz YGKSOTGFVVXMMO-UHFFFAOYSA-N 0 3 463.483 3.649 20 0 JHADHN CN(CCn1c(Cc2cccnc2)nnc1N1CCN(CCC(C)(C)C)CC1)C(=O)OC(C)(C)C ZINC001314863350 1071259594 /nfs/dbraw/zinc/25/95/94/1071259594.db2.gz QGTXNFXEJUSKRJ-UHFFFAOYSA-N 0 3 485.677 3.689 20 0 JHADHN CCN(CCS(C)(=O)=O)c1nnc(-c2cc3ccccc3o2)n1CC[C@@H](C)N1CCCCC1 ZINC001313823144 1071288337 /nfs/dbraw/zinc/28/83/37/1071288337.db2.gz GZABPKJNCNZIFQ-LJQANCHMSA-N 0 3 473.643 3.827 20 0 JHADHN CN(C)[C@@H](Cn1c(CC(C)(C)C)nnc1N(C)CCN1CCOC(C)(C)C1)c1cccs1 ZINC001314872803 1071288851 /nfs/dbraw/zinc/28/88/51/1071288851.db2.gz ORPKJWIROIOGBE-IBGZPJMESA-N 0 3 462.708 3.778 20 0 JHADHN COC(=O)c1ccc(NC(=O)NC2CCN(Cc3ccc(NC(C)=O)cc3)CC2)cc1Cl ZINC001310314740 1071296250 /nfs/dbraw/zinc/29/62/50/1071296250.db2.gz QMQLGMSBMXZILS-UHFFFAOYSA-N 0 3 458.946 3.871 20 0 JHADHN CCCS(=O)(=O)Nc1ccc(NC(=O)N(CCN(C)C)Cc2ccc(F)cc2F)cc1 ZINC001310316236 1071298091 /nfs/dbraw/zinc/29/80/91/1071298091.db2.gz HKCQSGZNDYNZPJ-UHFFFAOYSA-N 0 3 454.543 3.712 20 0 JHADHN Cc1ccc(NC(=O)N[C@H]2CCCN(Cc3ccccc3)C2)cc1S(=O)(=O)NC(C)(C)C ZINC001310334625 1071316768 /nfs/dbraw/zinc/31/67/68/1071316768.db2.gz JVVPAIZSHGHKHO-NRFANRHFSA-N 0 3 458.628 3.858 20 0 JHADHN CN1CCN(CCCNC(=O)Nc2ccc(N3CCSCC3)cc2)[C@H](c2ccccc2)C1 ZINC001310345588 1071328100 /nfs/dbraw/zinc/32/81/00/1071328100.db2.gz MOAYXYIIOQWGBV-DEOSSOPVSA-N 0 3 453.656 3.740 20 0 JHADHN CC(C)(C)OC(=O)Cc1cccc(NC(=O)NCC2(O)CCN(Cc3ccccc3)CC2)c1 ZINC001310363949 1071340411 /nfs/dbraw/zinc/34/04/11/1071340411.db2.gz PJMBMAPVHKAGEQ-UHFFFAOYSA-N 0 3 453.583 3.719 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCN2CCOC[C@@H]2C)C[C@@H]1C ZINC001313859628 1071365726 /nfs/dbraw/zinc/36/57/26/1071365726.db2.gz HIHKDZMYNJWCHS-FKBYEOEOSA-N 0 3 468.690 3.882 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(C(=O)N3CCCC3)n2Cc2ccccc2C(F)(F)F)C[C@H]1C ZINC001313858738 1071361383 /nfs/dbraw/zinc/36/13/83/1071361383.db2.gz HRQLMRCYEGIXJZ-SJORKVTESA-N 0 3 464.536 3.500 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3cc(C)nc4ccccc43)n2CCCCCS(C)(=O)=O)C[C@H]1C ZINC001313858952 1071361751 /nfs/dbraw/zinc/36/17/51/1071361751.db2.gz CVGOVUJEGNNRRV-RTWAWAEBSA-N 0 3 498.697 3.936 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(C(C)C)n2Cc2cccc(CN3CCO[C@@H](C)C3)c2)C[C@@H]1C ZINC001313858750 1071362117 /nfs/dbraw/zinc/36/21/17/1071362117.db2.gz HURZHRAFVZNWFP-FKBYEOEOSA-N 0 3 454.663 3.589 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(-c3ccc(C)c(Br)c3)n2CCCOCCOC)C[C@@H]1C ZINC001313859620 1071365253 /nfs/dbraw/zinc/36/52/53/1071365253.db2.gz HHPWMCWFEPBFAT-RBUKOAKNSA-N 0 3 494.478 3.988 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC(C)(C)CC)C[C@@H]1C ZINC001313860197 1071367407 /nfs/dbraw/zinc/36/74/07/1071367407.db2.gz KJJFDFCPVMAXLI-OALUTQOASA-N 0 3 476.691 3.551 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3cc(Br)c[nH]3)n2CC2CC(F)(F)C2)C[C@@H]1C ZINC001313860093 1071367706 /nfs/dbraw/zinc/36/77/06/1071367706.db2.gz IZPUGAWUMJGNJS-STQMWFEESA-N 0 3 457.367 4.000 20 0 JHADHN CN1CCCC(C)(C)[C@@H]1Cn1c(-c2ccccn2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 ZINC001314926809 1071369981 /nfs/dbraw/zinc/36/99/81/1071369981.db2.gz FINVRBYQBYBIIX-SFHVURJKSA-N 0 3 464.536 3.808 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3ccc(C)c(Br)c3)n2CC(C)(C)O)C[C@H]1C ZINC001313860912 1071371988 /nfs/dbraw/zinc/37/19/88/1071371988.db2.gz NEXQEHPXORRWNA-CVEARBPZSA-N 0 3 450.425 3.706 20 0 JHADHN CC[C@@H](C)NS(=O)(=O)c1cccc(NC(=O)N2CCN(Cc3ccccc3)C[C@@H](C)C2)c1 ZINC001310408410 1071372514 /nfs/dbraw/zinc/37/25/14/1071372514.db2.gz QLESENCBUHCZFO-WOJBJXKFSA-N 0 3 458.628 3.749 20 0 JHADHN CC[C@@H](C)NS(=O)(=O)c1cccc(NC(=O)N2CCN(Cc3ccccc3)C[C@H](C)C2)c1 ZINC001310408408 1071372731 /nfs/dbraw/zinc/37/27/31/1071372731.db2.gz QLESENCBUHCZFO-VQTJNVASSA-N 0 3 458.628 3.749 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCCn2ccnc2C)C[C@H]1C ZINC001313863674 1071382435 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CCN1CCN([C@H](C)Cn2c(COc3ccc(F)cc3)nnc2N2CCC(C)(C)CC2)CC1 ZINC001313927292 1071579276 /nfs/dbraw/zinc/57/92/76/1071579276.db2.gz KIHLNEPIBZDIMM-HXUWFJFHSA-N 0 3 458.626 3.649 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(CCc3ccccc3)nnc2N2CC[C@@H](CC(C)C)C2)CC1 ZINC001313927760 1071581338 /nfs/dbraw/zinc/58/13/38/1071581338.db2.gz LUKPAQQIJKYCKG-NOZRDPDXSA-N 0 3 452.691 3.962 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(COc3ccc(Cl)cc3)nnc2N2CCC(C)CC2)CC1 ZINC001313927544 1071580556 /nfs/dbraw/zinc/58/05/56/1071580556.db2.gz MANQHYSUQNYPDU-FQEVSTJZSA-N 0 3 461.054 3.773 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(COc3ccc(C)c(C)c3)nnc2N2CCC[C@@](C)(OC)C2)CC1 ZINC001313928282 1071583133 /nfs/dbraw/zinc/58/31/33/1071583133.db2.gz TYSXSBDMKVDHQW-WNCULLNHSA-N 0 3 484.689 3.505 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(Cc3cccnc3)nnc2N(C)Cc2ccc(Cl)c(F)c2)CC1 ZINC001313931854 1071594286 /nfs/dbraw/zinc/59/42/86/1071594286.db2.gz ZYVGKGDOEMKZKI-LJQANCHMSA-N 0 3 486.039 3.719 20 0 JHADHN CCN1CCN(c2nnc(-c3ccccc3Br)n2CCCn2ccnc2C)C[C@H]1C ZINC001313936227 1071607888 /nfs/dbraw/zinc/60/78/88/1071607888.db2.gz NQVVZDQQXOHRBT-QGZVFWFLSA-N 0 3 472.435 3.833 20 0 JHADHN CCN1CCN(c2nnc(COc3cc(C)ccc3C(C)C)n2CCCN2CCOCC2)C[C@H]1C ZINC001313943959 1071623753 /nfs/dbraw/zinc/62/37/53/1071623753.db2.gz XNYLOFWHLBJRPL-HSZRJFAPSA-N 0 3 484.689 3.542 20 0 JHADHN CCN1CCN([C@H]2CCN(c3nnc(CC(C)C)n3CC[C@@H](C)c3ccc(OC)cc3)C2)CC1 ZINC001313946406 1071628478 /nfs/dbraw/zinc/62/84/78/1071628478.db2.gz BQDMYGOVPRKJHF-VWNXMTODSA-N 0 3 468.690 3.895 20 0 JHADHN CCN(Cc1ccc(C(=O)N(C)C)cc1)c1nnc(C(C)(C)C)n1C[C@H](C)CN1CCN(CC)CC1 ZINC001313951885 1071643633 /nfs/dbraw/zinc/64/36/33/1071643633.db2.gz MACDEPDCDUQBDT-JOCHJYFZSA-N 0 3 497.732 3.578 20 0 JHADHN CCN(Cc1ccc(C(=O)N(C)C)cc1)c1nnc(C(C)(C)C)n1C[C@@H](C)CN1CCN(CC)CC1 ZINC001313951886 1071643754 /nfs/dbraw/zinc/64/37/54/1071643754.db2.gz MACDEPDCDUQBDT-QFIPXVFZSA-N 0 3 497.732 3.578 20 0 JHADHN CCN1CCN(C[C@H](C)Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCCCCC2)CC1 ZINC001313952544 1071645744 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QPMRSQOGTZYOHK-JOCHJYFZSA-N 0 3 460.711 3.537 20 0 JHADHN CCN1CCN(CCCn2c(N3CC[C@@H](c4ccc(OC)cc4)C3)nnc2C(C)(C)C)CC1 ZINC001313958459 1071663977 /nfs/dbraw/zinc/66/39/77/1071663977.db2.gz CGADYOMKZHOQIF-JOCHJYFZSA-N 0 3 454.663 3.606 20 0 JHADHN CCN1CCN(CCCn2c(C(C)C)nnc2N2CCO[C@@H](c3nc(C(C)(C)C)cs3)C2)CC1 ZINC001313960077 1071668763 /nfs/dbraw/zinc/66/87/63/1071668763.db2.gz HDQKDNCXVRJWFP-HXUWFJFHSA-N 0 3 489.734 3.761 20 0 JHADHN CCN1CCN(C[C@H](C)Cn2c(COc3cccc(C)c3)nnc2N2CCS[C@@H](C)[C@H]2C)CC1 ZINC001313958126 1071663078 /nfs/dbraw/zinc/66/30/78/1071663078.db2.gz UJKFYMMGUXXZTH-ZRBLBEILSA-N 0 3 486.730 3.769 20 0 JHADHN CCNC(=O)C(C)(C)Cn1c(CSc2ccccc2OC)nnc1N1C[C@H](C)N(CC)C[C@H]1C ZINC001313977384 1071710823 /nfs/dbraw/zinc/71/08/23/1071710823.db2.gz MPYGVLYDARVAEQ-RBUKOAKNSA-N 0 3 488.702 3.660 20 0 JHADHN CCOC(=O)N[C@@H](CC(C)C)Cn1c(-c2cccc(C)n2)nnc1N1CCN(CC(C)C)CC1 ZINC001314026219 1071787954 /nfs/dbraw/zinc/78/79/54/1071787954.db2.gz KSNRVVTYJPGHIC-NRFANRHFSA-N 0 3 471.650 3.587 20 0 JHADHN CCOC(=O)N[C@H]1CCCN(c2nnc([C@H]3CCCO3)n2C[C@@H](c2ccsc2)N(CC)CC)C1 ZINC001314044774 1071858108 /nfs/dbraw/zinc/85/81/08/1071858108.db2.gz VSEQJMPLDLWVPA-PCCBWWKXSA-N 0 3 490.674 3.989 20 0 JHADHN CCO[C@H](CCn1c(C2CCCC2)nnc1N1C[C@H](N2CCCN(C(C)=O)CC2)[C@@H](C)C1)C(C)C ZINC001314060687 1071896588 /nfs/dbraw/zinc/89/65/88/1071896588.db2.gz QNSGUVAXVVBCQW-GVXSCFBNSA-N 0 3 488.721 3.766 20 0 JHADHN CCO[C@]1(c2nnc(N3C[C@H](C)N(CC)C[C@H]3C)n2C[C@@H](SC)C(C)(C)C)CCOC1 ZINC001314095356 1071974740 /nfs/dbraw/zinc/97/47/40/1071974740.db2.gz NMKDCWVWVMHRIT-RTXPOLOASA-N 0 3 453.697 3.627 20 0 JHADHN CCO[C@]1(c2nnc(N3C[C@@H](C)N(CC)C[C@H]3C)n2CCc2ccccc2OC(F)F)CCOC1 ZINC001314101492 1071985913 /nfs/dbraw/zinc/98/59/13/1071985913.db2.gz DFQQRLBWTYGXAE-MPCDZSKCSA-N 0 3 493.599 3.693 20 0 JHADHN CCO[C@]1(c2nnc(N3C[C@@H](C)N(CC)C[C@H]3C)n2CCC2CC(OC(C)(C)C)C2)CCOC1 ZINC001314105903 1071996350 /nfs/dbraw/zinc/99/63/50/1071996350.db2.gz WNLSROICLKZFTJ-RBVZKXTNSA-N 0 3 477.694 3.833 20 0 JHADHN CCO[C@]1(c2nnc(N3CC=C(C(F)(F)F)CC3)n2C[C@@H](c2ccccc2)N(C)C)CCOC1 ZINC001314107807 1071999459 /nfs/dbraw/zinc/99/94/59/1071999459.db2.gz VLFGNOHILAORCN-NZQKXSOJSA-N 0 3 479.547 3.932 20 0 JHADHN CCO[C@]1(c2nnc(N3CCN(C(C)(C)C)CC3)n2CC(C)(C)c2ccc(F)cc2)CCOC1 ZINC001314136224 1072048343 /nfs/dbraw/zinc/04/83/43/1072048343.db2.gz QSIHCPIJWFHHAI-AREMUKBSSA-N 0 3 473.637 3.968 20 0 JHADHN CCO[C@]1(c2nnc(N3CCS[C@@H](CC)C3)n2C[C@H](c2ccccc2)N(C)C)CCOC1 ZINC001314142212 1072057368 /nfs/dbraw/zinc/05/73/68/1072057368.db2.gz FTFIGNUJTVMYBS-YZUZCNPQSA-N 0 3 459.660 3.565 20 0 JHADHN CCc1ccc(-c2nnc(N3C[C@H](C)N(CC)C[C@H]3C)n2CCN2CCOC(C)(C)C2)cc1 ZINC001305928608 1068227186 /nfs/dbraw/zinc/22/71/86/1068227186.db2.gz KSYUCUSKYKTPPD-LEWJYISDSA-N 0 3 454.663 3.537 20 0 JHADHN CCc1ccc(-c2nnc(N3CCC[C@H](S(C)(=O)=O)C3)n2C[C@@H]2CCCN(C(C)C)C2)cc1 ZINC001305942207 1068253343 /nfs/dbraw/zinc/25/33/43/1068253343.db2.gz PNVFVAKTIMXPJH-GGAORHGYSA-N 0 3 473.687 3.641 20 0 JHADHN CCc1ccc(-c2nnc(N3CCN(C(=O)OC)CC3)n2C[C@@H](c2cccs2)N(C)C)cc1 ZINC001305947079 1068263331 /nfs/dbraw/zinc/26/33/31/1068263331.db2.gz JMHGXJSLRHLEHX-FQEVSTJZSA-N 0 3 468.627 3.760 20 0 JHADHN CCc1ccc(-c2nnc(N3CCN(C[C@@H]4CCOC4)CC3)n2C[C@](C)(O)CCC(C)C)cc1 ZINC001305948541 1068268712 /nfs/dbraw/zinc/26/87/12/1068268712.db2.gz UWWGPUNOKBXFOV-WNCULLNHSA-N 0 3 469.674 3.853 20 0 JHADHN CCc1ccc(-c2nnc(N3CCN(CCOC)CC3)n2C[C@@H](c2ccsc2)N(C)C)cc1 ZINC001305951589 1068275691 /nfs/dbraw/zinc/27/56/91/1068275691.db2.gz WJPGCRVQILCZMI-QHCPKHFHSA-N 0 3 468.671 3.640 20 0 JHADHN CCc1ccccc1OCc1nnc(N2CC[C@H](C)[C@H]2C)n1CCCN1CCN(CC)CC1 ZINC001305982732 1068328993 /nfs/dbraw/zinc/32/89/93/1068328993.db2.gz UXXGZQWSSZTPLH-FCHUYYIVSA-N 0 3 454.663 3.682 20 0 JHADHN CCc1ccccc1OCc1nnc(N2CCN(C3CCOCC3)C[C@@H]2C)n1C[C@H](C)SC ZINC001305986524 1068338137 /nfs/dbraw/zinc/33/81/37/1068338137.db2.gz OKUCNOJFIOJKEE-PMACEKPBSA-N 0 3 473.687 3.861 20 0 JHADHN CCc1nc(C)c(Cn2c(-c3cc(Br)c[nH]3)nnc2N2C[C@H](C)N(CC)C[C@H]2C)o1 ZINC001306009245 1068390125 /nfs/dbraw/zinc/39/01/25/1068390125.db2.gz UEKKZNXXJOHFOX-UONOGXRCSA-N 0 3 476.423 3.862 20 0 JHADHN CCc1nc(CCn2c(-c3ccc(Cl)cc3OC)nnc2N2C[C@@H](C)N(CC)C[C@H]2C)no1 ZINC001306017832 1068403244 /nfs/dbraw/zinc/40/32/44/1068403244.db2.gz KARODPHXBHLWFP-HZPDHXFCSA-N 0 3 474.009 3.714 20 0 JHADHN CCc1nnc(N(C)Cc2csc(Br)c2)n1C[C@@H](C)CN1CCN(CC)CC1 ZINC001306083069 1068512628 /nfs/dbraw/zinc/51/26/28/1068512628.db2.gz NYGDMJZEOUDWOJ-INIZCTEOSA-N 0 3 469.497 3.575 20 0 JHADHN CCc1nnc(N(CC)Cc2nc3ccsc3c(=O)[nH]2)n1C[C@H](c1cccc(OC)c1)N(C)C ZINC001306098946 1068517509 /nfs/dbraw/zinc/51/75/09/1068517509.db2.gz NHPZBTRSVFBIIM-LJQANCHMSA-N 0 3 481.626 3.889 20 0 JHADHN CCc1nnc(N2CCC(NC(=O)c3cc(C)oc3C)CC2)n1C[C@@H](c1cccc(OC)c1)N(C)C ZINC001306141705 1068542880 /nfs/dbraw/zinc/54/28/80/1068542880.db2.gz IQBDREJPGMCKTH-DEOSSOPVSA-N 0 3 494.640 3.761 20 0 JHADHN CCc1nnc(N2CCCN(C(=O)CCc3ccccc3)CC2)n1C[C@H](c1cccs1)N(C)C ZINC001306179075 1068568657 /nfs/dbraw/zinc/56/86/57/1068568657.db2.gz ACXSEMHTXOZUPJ-JOCHJYFZSA-N 0 3 480.682 3.876 20 0 JHADHN CCc1nnc(N2CCN(C(=O)CCC3CCCC3)CC2)n1C[C@H](c1cccs1)N(C)C ZINC001306184465 1068574840 /nfs/dbraw/zinc/57/48/40/1068574840.db2.gz CBDQKESOJBNNCZ-HXUWFJFHSA-N 0 3 458.676 3.824 20 0 JHADHN CCc1nnc(N2CCN(C3CCOCC3)CC2)n1Cc1ccc([C@@H](F)C(F)(F)F)cc1 ZINC001306203794 1068593736 /nfs/dbraw/zinc/59/37/36/1068593736.db2.gz QQXVPHXVDWZQPF-HXUWFJFHSA-N 0 3 455.500 3.763 20 0 JHADHN CC(C)(C)N1CC[C@](F)(C(=O)NCCN2C(=O)S/C(=C\c3ccc(Cl)cc3)C2=O)C1 ZINC001306308039 1068726478 /nfs/dbraw/zinc/72/64/78/1068726478.db2.gz DXMVTLJLYZIMTI-MJGOQDMVSA-N 0 3 453.967 3.705 20 0 JHADHN CC[C@H]1CCCCN1CCn1c(-c2cccc(Cl)c2)nnc1N(C)CCS(=O)(=O)CC ZINC001306316835 1068736858 /nfs/dbraw/zinc/73/68/58/1068736858.db2.gz HCKQXZRPCIBHOO-FQEVSTJZSA-N 0 3 468.067 3.734 20 0 JHADHN CC[C@@H]1CCCC[N@@H+]1CCn1c(CC(C)(C)C)nnc1N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC001306322795 1068754386 /nfs/dbraw/zinc/75/43/86/1068754386.db2.gz HTSWNQZZJSMHEJ-JOCHJYFZSA-N 0 3 482.673 3.799 20 0 JHADHN CC[C@@H]1CCCC[N@H+]1CCn1c(CC(C)(C)C)nnc1N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC001306322795 1068754394 /nfs/dbraw/zinc/75/43/94/1068754394.db2.gz HTSWNQZZJSMHEJ-JOCHJYFZSA-N 0 3 482.673 3.799 20 0 JHADHN CC[C@H]1CCCN(c2nnc(COc3ccc(F)cc3)n2C[C@H](C)N2CCN(CC)CC2)C1 ZINC001306343198 1068779206 /nfs/dbraw/zinc/77/92/06/1068779206.db2.gz QTNORHCTBSOWAV-SFTDATJTSA-N 0 3 458.626 3.649 20 0 JHADHN CC[C@@H]1CCCN1c1nnc([C@@]2(OC(C)C)CCOC2)n1CCN(C)Cc1ccc(F)cc1 ZINC001306344718 1068781638 /nfs/dbraw/zinc/78/16/38/1068781638.db2.gz FVVTUANGNNLZJJ-RCZVLFRGSA-N 0 3 459.610 3.969 20 0 JHADHN CC[C@H]1CCCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H](C(C)C)N1CCCC1 ZINC001306346116 1068783865 /nfs/dbraw/zinc/78/38/65/1068783865.db2.gz LIYRCNQUTDWHEP-UNMCSNQZSA-N 0 3 459.660 3.848 20 0 JHADHN CCC(CC)NC(=O)c1nnc(N2CCC(CC)CC2)n1Cc1ccccc1CN1CCC(O)CC1 ZINC001306357513 1068792072 /nfs/dbraw/zinc/79/20/72/1068792072.db2.gz CIRMLRBYNZKVSF-UHFFFAOYSA-N 0 3 496.700 3.828 20 0 JHADHN CC[C@@H]1CCN(c2nnc(CNC(=O)c3cccs3)n2CCN(C)Cc2ccc(F)cc2)C1 ZINC001306381105 1068812272 /nfs/dbraw/zinc/81/22/72/1068812272.db2.gz BRELMLPOSVLCRV-GOSISDBHSA-N 0 3 470.618 3.777 20 0 JHADHN CC[C@@H]1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@@H](C)CN2CCN(CC)CC2)C1 ZINC001306383847 1068816852 /nfs/dbraw/zinc/81/68/52/1068816852.db2.gz UZSJLWAWLOZCMT-XZOQPEGZSA-N 0 3 454.663 3.675 20 0 JHADHN CC[C@H]1CN(c2nnc(Cc3ccc(F)cc3)n2C[C@H](C)CN2CCN(CC)CC2)CCS1 ZINC001306438193 1068943514 /nfs/dbraw/zinc/94/35/14/1068943514.db2.gz KQPHTUCOWSSKSE-OFNKIYASSA-N 0 3 474.694 3.613 20 0 JHADHN CC[C@H]1CN(c2nnc(CC(C)C)n2CCN2CC=CCC2)CC[C@H]1NC(=O)OC(C)(C)C ZINC001306441389 1068949610 /nfs/dbraw/zinc/94/96/10/1068949610.db2.gz RPVQWQKVDXVGBW-LEWJYISDSA-N 0 3 460.667 3.868 20 0 JHADHN CC[C@@H]1CN(c2nnc(Cc3csc(C)n3)n2CCN(C)Cc2ccccc2)C[C@H](C)O1 ZINC001306443397 1068954137 /nfs/dbraw/zinc/95/41/37/1068954137.db2.gz CYZBQOZXSXHEFJ-PGRDOPGGSA-N 0 3 454.644 3.770 20 0 JHADHN CC[C@H]1CN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@H](C)N2CCN(CC)CC2)CCS1 ZINC001306454214 1068975513 /nfs/dbraw/zinc/97/55/13/1068975513.db2.gz SMCBVXODJSRFES-KNQAVFIVSA-N 0 3 493.121 3.868 20 0 JHADHN CCc1c(NC(=O)N[C@H](C)CCN2CCN(C)CC2)cnn1-c1ccc(C(F)(F)F)cc1 ZINC001310554413 1069014500 /nfs/dbraw/zinc/01/45/00/1069014500.db2.gz IAFMUQVLTAWNGG-MRXNPFEDSA-N 0 3 452.525 3.601 20 0 JHADHN COc1ccc([C@@H](NC(C)C)C(=O)N[C@@H](C)CC(=O)Nc2cccc(N3CCCC3)c2)cc1 ZINC001306490044 1069028993 /nfs/dbraw/zinc/02/89/93/1069028993.db2.gz JRPKYYYEPZBPAH-UQBPGWFLSA-N 0 3 452.599 3.868 20 0 JHADHN CN1CCN(CCCNC(=O)Nc2ccnn2Cc2ccc(F)cc2)[C@@H](c2ccccc2)C1 ZINC001310610779 1069054061 /nfs/dbraw/zinc/05/40/61/1069054061.db2.gz BPNTUCCASGHIHC-HSZRJFAPSA-N 0 3 450.562 3.571 20 0 JHADHN COc1ccc(NC(=O)N[C@H](C)CN(C)Cc2ccccc2)c(I)c1 ZINC001310687877 1069112184 /nfs/dbraw/zinc/11/21/84/1069112184.db2.gz AMWHXLYEUJVYOO-CQSZACIVSA-N 0 3 453.324 3.942 20 0 JHADHN CCCC(=O)NC[C@H]1CCCN(c2nnc(-c3cccn3C)n2C[C@@H](c2ccsc2)N(C)C)C1 ZINC001306515282 1069117436 /nfs/dbraw/zinc/11/74/36/1069117436.db2.gz DOZQFAOSLXTFLA-KNQAVFIVSA-N 0 3 483.686 3.781 20 0 JHADHN CCCC(=O)NC[C@@H]1CCCN(c2nnc(-c3cccnc3)n2C[C@H](c2ccsc2)N(C)C)C1 ZINC001306517397 1069127392 /nfs/dbraw/zinc/12/73/92/1069127392.db2.gz NUYPXWLDGKSDIK-SIKLNZKXSA-N 0 3 481.670 3.837 20 0 JHADHN Cc1cc(CNC(=O)Nc2cc(Cl)ccc2OC2CCN(C)CC2)nc(N2CCCC2)n1 ZINC001310742708 1069145443 /nfs/dbraw/zinc/14/54/43/1069145443.db2.gz CADFQVOHADYBEU-UHFFFAOYSA-N 0 3 458.994 3.833 20 0 JHADHN CNC(=O)c1cc(Oc2cccc(NC(=O)N[C@@H]3CN(Cc4ccccc4)C[C@@H]3C)c2)ccn1 ZINC001310818713 1069176703 /nfs/dbraw/zinc/17/67/03/1069176703.db2.gz JMMOZWXMHJGVJH-MHECFPHRSA-N 0 3 459.550 3.876 20 0 JHADHN O=C(Nc1ccc(-n2ccccc2=O)cc1F)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC001310990762 1069242442 /nfs/dbraw/zinc/24/24/42/1069242442.db2.gz MCCWZZFUGBITNF-UHFFFAOYSA-N 0 3 452.452 3.903 20 0 JHADHN CCC[C@@H](Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN(CC(C)C)CC1)OC ZINC001306590867 1069259970 /nfs/dbraw/zinc/25/99/70/1069259970.db2.gz CEJAXRLTMMTHBV-SFTDATJTSA-N 0 3 478.682 3.943 20 0 JHADHN CCCC(O)(CCC)Cn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(CC(C)C)CC1 ZINC001306596422 1069270152 /nfs/dbraw/zinc/27/01/52/1069270152.db2.gz AWUYHHGIJDFAJN-HSZRJFAPSA-N 0 3 471.646 3.900 20 0 JHADHN CCC[C@@H]1CN(c2nnc(C(C)C)n2CC2CCN(CC(F)(F)F)CC2)CCN1CCOC ZINC001306616957 1069298929 /nfs/dbraw/zinc/29/89/29/1069298929.db2.gz IUYJYVCSXSGFFU-HXUWFJFHSA-N 0 3 474.616 3.613 20 0 JHADHN CCC[C@H]1CN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@H]2COCCO2)CCN1CCOC ZINC001306619079 1069302602 /nfs/dbraw/zinc/30/26/02/1069302602.db2.gz IKRHYOAQKNERTA-OALUTQOASA-N 0 3 498.455 3.604 20 0 JHADHN CCC[C@@H]1CN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@@]2(O)CCO[C@@H]2C)CCN1CCOC ZINC001306618974 1069302689 /nfs/dbraw/zinc/30/26/89/1069302689.db2.gz HRAJFSYHDBBPHP-WKJFVQFFSA-N 0 3 499.700 3.720 20 0 JHADHN CCC[C@H]1CN(c2nnc(C(C)C)n2C[C@](C)(O)c2ccccc2Cl)CCN1CCOC ZINC001306619618 1069304498 /nfs/dbraw/zinc/30/44/98/1069304498.db2.gz VVTMBZSGSVWODH-CYFREDJKSA-N 0 3 464.054 3.900 20 0 JHADHN CC(C)(N)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC2(CCCc3ccccc32)CC1 ZINC000038157273 563132659 /nfs/dbraw/zinc/13/26/59/563132659.db2.gz SJLGCGOOPPOGQQ-RUZDIDTESA-N 0 3 472.633 3.829 20 0 JHADHN Fc1ccc2nc(-c3ccccc3F)nc(N3CCN4C[C@H](Oc5cncnc5)C[C@H]4C3)c2c1 ZINC001164739606 720660483 /nfs/dbraw/zinc/66/04/83/720660483.db2.gz OEXLFPFKAULCLE-ZWKOTPCHSA-N 0 3 460.488 3.707 20 0 JHADHN Fc1ccc2nc(-c3ccccc3F)nc(N3CCN4C[C@@H](Oc5cncnc5)C[C@@H]4C3)c2c1 ZINC001164739599 720661072 /nfs/dbraw/zinc/66/10/72/720661072.db2.gz OEXLFPFKAULCLE-MSOLQXFVSA-N 0 3 460.488 3.707 20 0 JHADHN COc1ccc(-c2nc3ccc(F)cc3c(N3CCN4C[C@H](Oc5cncnc5)C[C@@H]4C3)n2)cc1 ZINC001164740125 720661244 /nfs/dbraw/zinc/66/12/44/720661244.db2.gz QGEOQKVVXSSECW-TZIWHRDSSA-N 0 3 472.524 3.576 20 0 JHADHN FC(F)(c1cc(Cl)nc(-c2cccnc2)n1)N1CCCn2cnc(CNC3CCC3)c2C1 ZINC001164836177 720738185 /nfs/dbraw/zinc/73/81/85/720738185.db2.gz BUIQVVDMVRUIOA-UHFFFAOYSA-N 0 3 459.932 3.986 20 0 JHADHN Clc1ccc(-c2ccc(C3OCCCO3)c(N3CCN4C[C@@H](Oc5cncnc5)C[C@H]4C3)c2)cn1 ZINC001164744661 720742084 /nfs/dbraw/zinc/74/20/84/720742084.db2.gz RWCUKYWDWUNWFV-SFTDATJTSA-N 0 3 493.995 3.969 20 0 JHADHN Cc1nc2scc(-c3cccs3)c2c(N2CCN3C[C@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164741153 720765490 /nfs/dbraw/zinc/76/54/90/720765490.db2.gz MKMQIAQQZWRDRM-HZPDHXFCSA-N 0 3 450.593 3.860 20 0 JHADHN COc1cc2c(cc1OCc1ccccc1)ncnc2N1C[C@@H]2CCN(Cc3cnn(C)c3)C[C@@H]2C1 ZINC001164764327 721092122 /nfs/dbraw/zinc/09/21/22/721092122.db2.gz HFUUWCCSWJFRKP-XZOQPEGZSA-N 0 3 484.604 3.909 20 0 JHADHN COc1ccc(Cc2c(C)nc(N3CCN4C[C@@H](OCc5cccnc5)C[C@H]4C3)nc2C)cc1 ZINC001164872597 721178433 /nfs/dbraw/zinc/17/84/33/721178433.db2.gz HVIDZXUHXQFHDL-ZCYQVOJMSA-N 0 3 459.594 3.568 20 0 JHADHN Cc1sc2nc(CN3CCCCC3)nc(N3C[C@@H]4CCN(Cc5cnn(C)c5)C[C@H]4C3)c2c1C ZINC001164767701 721199543 /nfs/dbraw/zinc/19/95/43/721199543.db2.gz KJKNPGFWFZXAFX-VXKWHMMOSA-N 0 3 479.698 3.986 20 0 JHADHN Cn1cc(CN2CC[C@H]3CN(c4ccc(C(=O)Nc5cccc(Cl)c5)cn4)C[C@@H]3C2)cn1 ZINC001164771422 721201580 /nfs/dbraw/zinc/20/15/80/721201580.db2.gz POZJAIDFZLKYCX-PMACEKPBSA-N 0 3 450.974 3.679 20 0 JHADHN CN1CCN(C[C@@H]2CCC[C@]3(CCN(c4ncnc5[nH]c6ccc(Cl)cc6c54)C3)O2)CC1 ZINC001164895390 721430216 /nfs/dbraw/zinc/43/02/16/721430216.db2.gz OHCZLRAASCWGBW-MHECFPHRSA-N 0 3 455.006 3.530 20 0 JHADHN Cc1sc2nc(CN3CCCC3)nc(N3CC[C@@]4(C3)CCC[C@@H](CN3CCN(C)CC3)O4)c2c1C ZINC001164891353 721434569 /nfs/dbraw/zinc/43/45/69/721434569.db2.gz GKHHXCBEVUFYQG-WXVAWEFUSA-N 0 3 498.741 3.669 20 0 JHADHN CCOC(=O)c1sc2ncnc(N3CCN4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)c2c1C ZINC001164896258 721509342 /nfs/dbraw/zinc/50/93/42/721509342.db2.gz ABIJWUDBHNDNHU-SJLPKXTDSA-N 0 3 456.543 3.657 20 0 JHADHN CCN(CC)Cc1nc2sc(C)c(C)c2c(N2CCCC23CCN(CC(=O)N(C)C)CC3)n1 ZINC001165010318 721745508 /nfs/dbraw/zinc/74/55/08/721745508.db2.gz LRJVEQDXUWLUSR-UHFFFAOYSA-N 0 3 472.703 3.673 20 0 JHADHN COC(=O)c1cc(Cl)nc(C(F)(F)N2CCC3(CC2)COCCN(Cc2ccncc2)C3)c1 ZINC001164963834 722057324 /nfs/dbraw/zinc/05/73/24/722057324.db2.gz NBLCREKQWLZXSL-UHFFFAOYSA-N 0 3 480.943 3.581 20 0 JHADHN COC(=O)c1cc2c(N3CCC4(CC3)COCCN(Cc3ccncc3)C4)[nH]c(Cl)cc-2n1 ZINC001164960728 722058452 /nfs/dbraw/zinc/05/84/52/722058452.db2.gz JODHFDNBZSGDJC-UHFFFAOYSA-N 0 3 469.973 3.517 20 0 JHADHN c1cn(Cc2ccccc2)c2ncnc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)c12 ZINC001164974022 722124478 /nfs/dbraw/zinc/12/44/78/722124478.db2.gz IHJCXFISMAPKKL-ILBGXUMGSA-N 0 3 454.578 3.602 20 0 JHADHN CCOC(=O)c1ccc(C(F)(F)N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c(Cl)n1 ZINC001164982667 722137200 /nfs/dbraw/zinc/13/72/00/722137200.db2.gz RWLRJZZFGINIAE-YLJYHZDGSA-N 0 3 480.943 3.579 20 0 JHADHN c1ccc2c(c1)nc(-c1cccnc1)nc2N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164981711 722139693 /nfs/dbraw/zinc/13/96/93/722139693.db2.gz QEWJPVWPBVMQCR-DHLKQENFSA-N 0 3 452.562 3.814 20 0 JHADHN O=C(OCc1ccccc1)c1ccc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)nc1 ZINC001164979638 722145771 /nfs/dbraw/zinc/14/57/71/722145771.db2.gz LPYNEKUNYWVIER-JWQCQUIFSA-N 0 3 458.562 3.561 20 0 JHADHN O=C(OCc1ccccc1)c1ccc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)nc1 ZINC001164979642 722145946 /nfs/dbraw/zinc/14/59/46/722145946.db2.gz LPYNEKUNYWVIER-RPBOFIJWSA-N 0 3 458.562 3.561 20 0 JHADHN COc1ccc(Oc2cc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)nc(C)n2)cc1 ZINC001164972489 722152712 /nfs/dbraw/zinc/15/27/12/722152712.db2.gz IAEPDGCAKQZGPF-ZJSXRUAMSA-N 0 3 461.566 3.708 20 0 JHADHN Clc1ccc(OC(Cl)(Cl)N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)cn1 ZINC001164971565 722157781 /nfs/dbraw/zinc/15/77/81/722157781.db2.gz BSFLAEXSGGXVFB-SJLPKXTDSA-N 0 3 457.789 3.821 20 0 JHADHN CCC[C@H]1CN(c2nnc(-c3cccn3C)n2Cc2c(F)cc(F)c(F)c2F)CCN1CCOC ZINC001306621798 1069310937 /nfs/dbraw/zinc/31/09/37/1069310937.db2.gz QUGQGXXROZAPFO-INIZCTEOSA-N 0 3 494.537 3.825 20 0 JHADHN CCC[C@@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CCc2nccs2)CCN1CCOC ZINC001306621932 1069311582 /nfs/dbraw/zinc/31/15/82/1069311582.db2.gz GLMGPSRONJMEKE-GOSISDBHSA-N 0 3 476.050 3.630 20 0 JHADHN CCC[C@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2CCn2ccnc2C)CCN1CCOC ZINC001306623164 1069313824 /nfs/dbraw/zinc/31/38/24/1069313824.db2.gz RJHDCNUKSRNIBB-FQEVSTJZSA-N 0 3 490.027 3.880 20 0 JHADHN CCOC(=O)c1cn(C)cc1NC(=O)N(CCN(C)C)Cc1ccc(Br)cc1 ZINC001311283080 1069315875 /nfs/dbraw/zinc/31/58/75/1069315875.db2.gz CJDMKFLAKIJPQL-UHFFFAOYSA-N 0 3 451.365 3.560 20 0 JHADHN CCC[C@@H]1CN(c2nnc(-c3cccc(C)n3)n2C[C@](C)(O)c2cc(C)oc2C)CCN1CCOC ZINC001306624191 1069317326 /nfs/dbraw/zinc/31/73/26/1069317326.db2.gz MLJVJBJGMUGAJO-AMGIVPHBSA-N 0 3 496.656 3.703 20 0 JHADHN CCC[C@@H]1CN(c2nnc(Cc3ccc(F)cc3)n2Cc2ncccc2C)CCN1CCOC ZINC001306627150 1069323180 /nfs/dbraw/zinc/32/31/80/1069323180.db2.gz RCNDWLLOBTYALB-HSZRJFAPSA-N 0 3 466.605 3.697 20 0 JHADHN CCC[C@H]1CN(c2nnc(CC(C)(C)C)n2Cc2cccc(C3OCCO3)c2)CCN1CCOC ZINC001306628146 1069325513 /nfs/dbraw/zinc/32/55/13/1069325513.db2.gz DQTUORNDUIUZQS-QHCPKHFHSA-N 0 3 485.673 3.898 20 0 JHADHN CCC[C@H]1CN(c2nnc(CC(C)(C)C)n2CCn2cnc3ccccc32)CCN1CCOC ZINC001306628582 1069327183 /nfs/dbraw/zinc/32/71/83/1069327183.db2.gz GZAWTMPEZZPKFC-NRFANRHFSA-N 0 3 467.662 3.854 20 0 JHADHN CCC[C@H]1CN(c2nnc(-c3ccccc3F)n2CCc2ccccn2)CCN1CCOC ZINC001306638607 1069348588 /nfs/dbraw/zinc/34/85/88/1069348588.db2.gz AZFUDFDVYXLMPK-NRFANRHFSA-N 0 3 452.578 3.659 20 0 JHADHN CC1(C)CN(C2(CNC(=O)NCCNc3ncc(Cl)cc3Cl)CCCCC2)CCO1 ZINC001311387174 1069356564 /nfs/dbraw/zinc/35/65/64/1069356564.db2.gz ZPVWCAHXKKUIKL-UHFFFAOYSA-N 0 3 458.434 3.913 20 0 JHADHN Cc1cccc([C@@H](CNC(=O)NC[C@H]2CCCCN2Cc2ccccc2)N2CCOCC2)c1 ZINC001311390190 1069358087 /nfs/dbraw/zinc/35/80/87/1069358087.db2.gz CPBBGJDBEBWIKH-CLJLJLNGSA-N 0 3 450.627 3.722 20 0 JHADHN CN1CCO[C@H]([C@H](NC(=O)N[C@H](CN2CCCC2)c2ccccc2)c2ccc(Cl)cc2)C1 ZINC001311405063 1069364120 /nfs/dbraw/zinc/36/41/20/1069364120.db2.gz IBHWHUKEOOMNOD-TZRRMPRUSA-N 0 3 457.018 3.848 20 0 JHADHN CCCCCn1c(COc2ccccc2F)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 ZINC001306655102 1069367225 /nfs/dbraw/zinc/36/72/25/1069367225.db2.gz GDUYIGABCQMXSI-NZQKXSOJSA-N 0 3 486.636 3.565 20 0 JHADHN CC(C)(C)c1cccc(OCCNC(=O)NCCCN2CCN(Cc3ccccc3)CC2)c1 ZINC001311422764 1069370764 /nfs/dbraw/zinc/37/07/64/1069370764.db2.gz GNXBGMVDVOXWOJ-UHFFFAOYSA-N 0 3 452.643 3.870 20 0 JHADHN O=C(NCCCN1CCN(Cc2ccccc2)CC1)N[C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC001311425788 1069374236 /nfs/dbraw/zinc/37/42/36/1069374236.db2.gz YZAXZONGDPNMDM-RPWUZVMVSA-N 0 3 475.008 3.816 20 0 JHADHN CCN(CC)[C@@H](CNC(=O)NCc1ccc(C)cc1N1CCOCC1)c1cccc(OC)c1 ZINC001311468102 1069392040 /nfs/dbraw/zinc/39/20/40/1069392040.db2.gz GNZZVNKVEYOSGX-VWLOTQADSA-N 0 3 454.615 3.723 20 0 JHADHN CCN(CC)[C@H](CNC(=O)NC[C@@](O)(c1ccccc1)C(F)(F)F)c1cccc(OC)c1 ZINC001311469196 1069392484 /nfs/dbraw/zinc/39/24/84/1069392484.db2.gz JPXGEWWNSMEETF-IFMALSPDSA-N 0 3 453.505 3.827 20 0 JHADHN CC(C)C[C@@H](C)Oc1cc(CNC(=O)NCc2ccc(CN3CCN(C)CC3)cc2)ccn1 ZINC001311497436 1069407069 /nfs/dbraw/zinc/40/70/69/1069407069.db2.gz QADQJIGYLRYSAP-OAQYLSRUSA-N 0 3 453.631 3.642 20 0 JHADHN CCCCN1CCCC[C@@H]1Cn1c(CC(C)(C)C)nnc1N1CCC(S(C)(=O)=O)CC1 ZINC001306728172 1069474363 /nfs/dbraw/zinc/47/43/63/1069474363.db2.gz TUXJYHBXOVIYRB-LJQANCHMSA-N 0 3 453.697 3.535 20 0 JHADHN O=C(NCCCCN1CCN(Cc2ccccc2)CC1)N1CCC[C@H](Cc2nccs2)C1 ZINC001311629556 1069478151 /nfs/dbraw/zinc/47/81/51/1069478151.db2.gz DRUGWMFNWADVNA-HSZRJFAPSA-N 0 3 455.672 3.705 20 0 JHADHN CCN(CC)[C@H](CNC(=O)N1CCOCC2(CCOCC2)C1)c1ccc(C(F)(F)F)cc1 ZINC001311718832 1069517764 /nfs/dbraw/zinc/51/77/64/1069517764.db2.gz KXMVVBDIAURMFJ-HXUWFJFHSA-N 0 3 457.537 3.927 20 0 JHADHN CC[C@H]1Oc2cc([C@@H](C)NC(=O)NCC(C)(C)N3CCc4ccccc4C3)ccc2NC1=O ZINC001311719874 1069519060 /nfs/dbraw/zinc/51/90/60/1069519060.db2.gz DQNBQVGXRABFLC-VGOFRKELSA-N 0 3 450.583 3.993 20 0 JHADHN C[C@H](NC(=O)N[C@H]1CCN(C)[C@@H]1c1ccc(F)cc1)c1cc(F)ccc1N1CCN(C)CC1 ZINC001311819207 1069559243 /nfs/dbraw/zinc/55/92/43/1069559243.db2.gz GXIWYTBDYVMXSW-OZWPHOJSSA-N 0 3 457.569 3.522 20 0 JHADHN CCC[C@@H](NC(=O)N[C@H]1CCN(Cc2ccc(C)cc2)C1)C(=O)N1CCc2sccc2C1 ZINC001311856798 1069582470 /nfs/dbraw/zinc/58/24/70/1069582470.db2.gz DGHUTXFRPTXKCX-FCHUYYIVSA-N 0 3 454.640 3.684 20 0 JHADHN COc1ccc(Cl)cc1N1CC[C@@H](NC(=O)NCC2CCN(Cc3ccncc3)CC2)C1 ZINC001311850641 1069579369 /nfs/dbraw/zinc/57/93/69/1069579369.db2.gz MZOMMDZIYAEIKP-OAQYLSRUSA-N 0 3 458.006 3.534 20 0 JHADHN CN1CCN(Cc2cccc(CNC(=O)N3CC[C@H]3c3ccc(Br)cc3)c2)CC1 ZINC001311863536 1069586570 /nfs/dbraw/zinc/58/65/70/1069586570.db2.gz ZMEQTIMJONFHPV-QFIPXVFZSA-N 0 3 457.416 3.853 20 0 JHADHN CC1(C)CN(C2(CNC(=O)NCCOc3ccc(C(F)(F)F)cn3)CCCCC2)CCO1 ZINC001311933750 1069620065 /nfs/dbraw/zinc/62/00/65/1069620065.db2.gz TVKNDXGZKFBIRV-UHFFFAOYSA-N 0 3 458.525 3.592 20 0 JHADHN CCOc1c(OC)cc(Cn2c(-c3ccccn3)nnc2N2CCN(CC(C)C)CC2)cc1OC ZINC001314156957 1069629700 /nfs/dbraw/zinc/62/97/00/1069629700.db2.gz OPIHANURYAHBRJ-UHFFFAOYSA-N 0 3 480.613 3.582 20 0 JHADHN CCCN(Cc1ccc(F)cc1F)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1(N(C)C)CCCC1 ZINC001306812956 1069633741 /nfs/dbraw/zinc/63/37/41/1069633741.db2.gz JLQZHWAVVCKACO-LJQANCHMSA-N 0 3 495.640 3.749 20 0 JHADHN CN(C)CCN(Cc1ccc(F)cc1)C(=O)N[C@@H]1CCCC[C@H]1CNC(=O)OC(C)(C)C ZINC001312017424 1069673560 /nfs/dbraw/zinc/67/35/60/1069673560.db2.gz KTUQFVDALQGGHR-PZJWPPBQSA-N 0 3 450.599 3.982 20 0 JHADHN C[C@H](c1ccc(F)cc1)N1CCC[C@@H](NC(=O)NC[C@H]2CCCN2Cc2ccccc2)C1=O ZINC001312027046 1069681119 /nfs/dbraw/zinc/68/11/19/1069681119.db2.gz XHEWDANAAWTXBK-CTUHWIOQSA-N 0 3 452.574 3.842 20 0 JHADHN CCN1CCN(Cc2ccccc2CNc2cc(C(F)(F)F)nc(-c3ccncc3)n2)CC1 ZINC001306930021 1069684659 /nfs/dbraw/zinc/68/46/59/1069684659.db2.gz GYSPJMBXJQEJRK-UHFFFAOYSA-N 0 3 456.516 3.729 20 0 JHADHN O=C(NCc1csc(-c2ccc(C(F)(F)F)cc2)n1)NC1CCN([C@H]2CCOC2)CC1 ZINC001312119171 1069731158 /nfs/dbraw/zinc/73/11/58/1069731158.db2.gz TZJXMYJPLPJMOC-SFHVURJKSA-N 0 3 454.518 3.881 20 0 JHADHN COc1cc(Cl)c(C)cc1NC(=O)CCNC(=O)N[C@@H]1CCN(Cc2ccc(C)cc2)C1 ZINC001312156029 1069754912 /nfs/dbraw/zinc/75/49/12/1069754912.db2.gz ZKOXWUSPUKUGDV-LJQANCHMSA-N 0 3 458.990 3.868 20 0 JHADHN CCCN1CC[C@H](Cn2c(CSc3ccc(Cl)cc3)nnc2N2CC[C@H](S(C)(=O)=O)C2)C1 ZINC001307047590 1069789806 /nfs/dbraw/zinc/78/98/06/1069789806.db2.gz VXGFMCHIPQAJSL-PXNSSMCTSA-N 0 3 498.118 3.579 20 0 JHADHN CCOc1ccc(O[C@@H](C)c2nnc(N3CCN(C(C)(C)C)CC3)n2Cc2conc2COC)cc1 ZINC001314201921 1069799023 /nfs/dbraw/zinc/79/90/23/1069799023.db2.gz WPUYVVVOMJVMHP-IBGZPJMESA-N 0 3 498.628 3.920 20 0 JHADHN COC(=O)[C@@H]1CN(C(=O)N[C@H]2C[C@H](C)N(Cc3ccccc3)C2)C[C@H]1c1ccc(Cl)cc1 ZINC001312252149 1069810519 /nfs/dbraw/zinc/81/05/19/1069810519.db2.gz JAPFUBMPRGUHQZ-KEIZBESESA-N 0 3 455.986 3.901 20 0 JHADHN CCOc1cccc(Cn2c(CC(C)(C)C)nnc2N2CC[C@H](N3CCN(CC)CC3)C2)c1 ZINC001314208415 1069824568 /nfs/dbraw/zinc/82/45/68/1069824568.db2.gz BMUMWPCWXXJEMV-QFIPXVFZSA-N 0 3 454.663 3.530 20 0 JHADHN CCCN1CCCN(c2nnc(C(C)C)n2CC(C)(C)N2CCc3ccccc3C2)CC1=O ZINC001307061203 1069851588 /nfs/dbraw/zinc/85/15/88/1069851588.db2.gz GFGQZNWFZYFUNC-UHFFFAOYSA-N 0 3 452.647 3.687 20 0 JHADHN CCOc1ccccc1OCc1nnc(N2CCC(F)(F)CC2)n1C[C@H](C)N1CCN(CC)CC1 ZINC001314221452 1069872316 /nfs/dbraw/zinc/87/23/16/1069872316.db2.gz YRTVNSKQJRQEMK-FQEVSTJZSA-N 0 3 492.615 3.517 20 0 JHADHN CN(C)CCN1CCN(C(=O)N[C@H]2CCCCC[C@@H]2c2ccccc2C(F)(F)F)CC1=O ZINC001312409121 1069914785 /nfs/dbraw/zinc/91/47/85/1069914785.db2.gz OJJMVRKIJAOGRI-QUCCMNQESA-N 0 3 454.537 3.537 20 0 JHADHN CCO[C@@H]1C[C@H](N(C)c2nnc(C(=O)NC(C)C)n2C[C@H](c2ccccc2)N2CCCC2)C1(C)C ZINC001314240704 1069942704 /nfs/dbraw/zinc/94/27/04/1069942704.db2.gz UCQWEJMABRQDJR-XPWALMASSA-N 0 3 482.673 3.893 20 0 JHADHN Cc1noc([C@H]2CCCN(CC[C@H](NS(=O)(=O)c3ccc(C)cc3)c3ccccc3)C2)n1 ZINC001307426772 1069979531 /nfs/dbraw/zinc/97/95/31/1069979531.db2.gz PSHAWLVTLHQHON-GMAHTHKFSA-N 0 3 454.596 3.976 20 0 JHADHN CCO[C@@H]1C[C@@H](N(C)c2nnc(CC(C)(C)C)n2C[C@@H](C)CN2CCN(CC)CC2)C1(C)C ZINC001314255352 1069989856 /nfs/dbraw/zinc/98/98/56/1069989856.db2.gz UWEIFHCZYAFRLT-BHDDXSALSA-N 0 3 462.727 3.780 20 0 JHADHN CCOc1ccc(/C=C2\SC(=O)N(CCNC(=O)CN3CCC[C@@H]4CCC[C@@H]43)C2=O)cc1 ZINC001307480966 1070008744 /nfs/dbraw/zinc/00/87/44/1070008744.db2.gz WYXRIHLEBXKBDH-UTFKNXJGSA-N 0 3 457.596 3.502 20 0 JHADHN CN(CC1(c2ccc(Br)cc2)CC1)[C@@H]1CN(C(=O)OCc2ccccc2)C[C@H]1O ZINC001307485219 1070011424 /nfs/dbraw/zinc/01/14/24/1070011424.db2.gz DGQWWVYIEUOJTG-NHCUHLMSSA-N 0 3 459.384 3.794 20 0 JHADHN CC(C)[C@H](CN(C)Cc1ccccc1)NC(=O)N1CCC(NC(=O)c2ccc(F)cc2)CC1 ZINC001312556286 1070011308 /nfs/dbraw/zinc/01/13/08/1070011308.db2.gz BMIGWFNUESKKBT-DEOSSOPVSA-N 0 3 454.590 3.886 20 0 JHADHN CCO[C@@H]1CCCN(c2nnc(-c3ccc(CC)cc3)n2C[C@H](C)N2CCN(CC)CC2)C1 ZINC001314268272 1070019944 /nfs/dbraw/zinc/01/99/44/1070019944.db2.gz GSLWARRTXMLSGF-XUZZJYLKSA-N 0 3 454.663 3.539 20 0 JHADHN CCO[C@@H]1CCCN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H](c2ccc(C)cc2)N(C)C)C1 ZINC001314274304 1070030855 /nfs/dbraw/zinc/03/08/55/1070030855.db2.gz HEDSFTGOODWVCA-RPWUZVMVSA-N 0 3 465.646 3.756 20 0 JHADHN CCO[C@@H]1CCCN(c2nnc([C@H]3CCCCO3)n2C[C@@H](c2cccc(OC)c2)N(C)C)C1 ZINC001314277390 1070036900 /nfs/dbraw/zinc/03/69/00/1070036900.db2.gz SSHMEKFJCRYEBV-XPWALMASSA-N 0 3 457.619 3.837 20 0 JHADHN C[C@@H](c1cccc(S(N)(=O)=O)c1)N(C)CCC(=O)N[C@H](c1cccs1)c1ccccc1 ZINC001307546852 1070046928 /nfs/dbraw/zinc/04/69/28/1070046928.db2.gz ULEQHRHERZMIFG-SBUREZEXSA-N 0 3 457.621 3.684 20 0 JHADHN CCO[C@H](C)c1nc(CN2CCN(C(=O)N[C@H](C)[C@@H](c3ccccc3)N(C)C)CC2)cs1 ZINC001312657770 1070066349 /nfs/dbraw/zinc/06/63/49/1070066349.db2.gz NMMBAUYRILICQM-KNKQGSTJSA-N 0 3 459.660 3.759 20 0 JHADHN C[C@H](NC(=O)N1CCCCC[C@H]1c1noc(-c2cnn(C)c2)n1)[C@@H](c1ccccc1)N(C)C ZINC001312658067 1070066902 /nfs/dbraw/zinc/06/69/02/1070066902.db2.gz CBUFTNZQVPGAEX-YYWHXJBOSA-N 0 3 451.575 3.788 20 0 JHADHN CCOCC(C)(C)Cn1c(N2CCN(C3CCCCC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001314290071 1070069545 /nfs/dbraw/zinc/06/95/45/1070069545.db2.gz RFDHKEOJOWBEQN-SANMLTNESA-N 0 3 477.694 3.836 20 0 JHADHN CCOc1ccc(NC(=O)CN[C@@H](C)c2cccc(C)c2)cc1S(=O)(=O)N1CCCCC1 ZINC001307600932 1070075872 /nfs/dbraw/zinc/07/58/72/1070075872.db2.gz AGXBEHNPBWUSNH-IBGZPJMESA-N 0 3 459.612 3.858 20 0 JHADHN CC(C)Oc1ccc(CCNC(=O)CN2C[C@@H]3CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H]3C2)cc1 ZINC001307602009 1070076007 /nfs/dbraw/zinc/07/60/07/1070076007.db2.gz HEUQZZAUAQCHIU-MDNUFGMLSA-N 0 3 459.631 3.758 20 0 JHADHN CCOCc1ccccc1Cn1c([C@H](C)CC)nnc1N1C[C@@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 ZINC001314294395 1070077408 /nfs/dbraw/zinc/07/74/08/1070077408.db2.gz BFHMIGAJXVGQLN-XLGIIRLISA-N 0 3 496.700 3.755 20 0 JHADHN Cc1ccc(S(N)(=O)=O)cc1NC(=O)CN[C@H](Cc1ccc(Cl)cc1)c1ccccc1 ZINC001307621951 1070084294 /nfs/dbraw/zinc/08/42/94/1070084294.db2.gz AKPPUSJYUFXNMO-JOCHJYFZSA-N 0 3 457.983 3.808 20 0 JHADHN CCOC(=O)C[C@@H]1CCCC[C@@]1(O)CN[C@@H](C)c1cc2c(cc1Br)OCCO2 ZINC001307622592 1070085178 /nfs/dbraw/zinc/08/51/78/1070085178.db2.gz FCDJTDUBXQJGTE-VFCRVFHLSA-N 0 3 456.377 3.745 20 0 JHADHN C[C@@H]1[C@H](C)N(CC(=O)N[C@H](c2ccccc2)c2ccc3[nH]c(C(F)(F)F)nc3c2)CCN1C ZINC001307632234 1070091545 /nfs/dbraw/zinc/09/15/45/1070091545.db2.gz VQNNDYSDVDNJIR-ZMPRRUGASA-N 0 3 459.516 3.812 20 0 JHADHN C[C@@H]1[C@H](C)N(CC(=O)N[C@H](c2ccccc2)c2ccc3nc(C(F)(F)F)[nH]c3c2)CCN1C ZINC001307632234 1070091564 /nfs/dbraw/zinc/09/15/64/1070091564.db2.gz VQNNDYSDVDNJIR-ZMPRRUGASA-N 0 3 459.516 3.812 20 0 JHADHN Cc1ccccc1[C@H](CC(C)C)NCC(=O)NN1C(=O)N[C@](C)(CCc2ccccc2)C1=O ZINC001307635405 1070092766 /nfs/dbraw/zinc/09/27/66/1070092766.db2.gz TTYXQEXIFHPFLK-BKMJKUGQSA-N 0 3 450.583 3.646 20 0 JHADHN CNS(=O)(=O)c1ccc(CN[C@@H](Cc2ccccc2C)c2ccc(OC)c(OC)c2)cc1 ZINC001307640606 1070096181 /nfs/dbraw/zinc/09/61/81/1070096181.db2.gz SEULZCGYYIEOIB-QHCPKHFHSA-N 0 3 454.592 3.994 20 0 JHADHN CCN1CCN(c2ccc(F)cc2[C@H](C)NCC(=O)N(C)[C@@H](C)c2ccccc2OC)CC1 ZINC001307642122 1070097957 /nfs/dbraw/zinc/09/79/57/1070097957.db2.gz KPKOSDLUJWBVJN-PMACEKPBSA-N 0 3 456.606 3.846 20 0 JHADHN O=C(CCN(CCO)Cc1ccc(Cl)c(Cl)c1)N1CCN(c2ccc(F)cc2)CC1 ZINC001307652117 1070102778 /nfs/dbraw/zinc/10/27/78/1070102778.db2.gz GYRBEYKGSHJKME-UHFFFAOYSA-N 0 3 454.373 3.666 20 0 JHADHN CCOCc1nnc(N2C[C@H](C)N(CC)C[C@H]2C)n1CCNc1ncc(Cl)cc1Cl ZINC001314321085 1070106385 /nfs/dbraw/zinc/10/63/85/1070106385.db2.gz HPYSRRLYEOOZHD-LSDHHAIUSA-N 0 3 456.422 3.547 20 0 JHADHN COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)CN(C)[C@@H]1CCCC[C@@H]1C ZINC001307682398 1070123045 /nfs/dbraw/zinc/12/30/45/1070123045.db2.gz CXWXQJRYAIOSAR-GHTZIAJQSA-N 0 3 451.633 3.709 20 0 JHADHN CCOCc1nnc(N2CCC(C(=O)Nc3ccc(C)cn3)CC2)n1C[C@@H](c1cccs1)N(C)C ZINC001314331196 1070123271 /nfs/dbraw/zinc/12/32/71/1070123271.db2.gz PIUHMIRDHMKTDR-FQEVSTJZSA-N 0 3 497.669 3.738 20 0 JHADHN CCOCc1nnc(N2CCC(C(F)(F)F)CC2)n1C[C@@H](c1cccc(OC)c1)N(C)C ZINC001314337372 1070132538 /nfs/dbraw/zinc/13/25/38/1070132538.db2.gz WGNMEXXSMDEOSG-IBGZPJMESA-N 0 3 455.525 3.905 20 0 JHADHN CCOCc1nnc(N2CCC(c3ccnn3C)CC2)n1C[C@@H](c1ccc(C)cc1)N(C)C ZINC001314341495 1070140174 /nfs/dbraw/zinc/14/01/74/1070140174.db2.gz XNIQUFCRYMQGAD-QHCPKHFHSA-N 0 3 451.619 3.543 20 0 JHADHN C[C@H]1[C@@H](NC(=O)N2CCCN(C(=O)c3ccc(Cl)cc3)CC2)CCN1Cc1ccccc1 ZINC001312815784 1070139884 /nfs/dbraw/zinc/13/98/84/1070139884.db2.gz NZXMEMBMJDEPOC-CVDCTZTESA-N 0 3 455.002 3.861 20 0 JHADHN O=C(NC[C@H](OCc1ccccc1)c1ccc(Cl)cc1)N1CC[C@@H]2[C@@H]1CCCN2CCO ZINC001312824032 1070143659 /nfs/dbraw/zinc/14/36/59/1070143659.db2.gz RDGLJJOQIKNFSW-SGNDLWITSA-N 0 3 458.002 3.839 20 0 JHADHN COc1ccccc1[C@H](CO)NC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC001312838032 1070148037 /nfs/dbraw/zinc/14/80/37/1070148037.db2.gz DESGCSJSRKEXIZ-GVAUOCQISA-N 0 3 463.553 3.835 20 0 JHADHN C[C@H](NC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1cccc(F)c1)C(=O)NCc1ccccc1 ZINC001312840183 1070149901 /nfs/dbraw/zinc/14/99/01/1070149901.db2.gz RXTJVVUHZGKLBW-YMSRPXOMSA-N 0 3 474.580 3.798 20 0 JHADHN CCN(C)C(=O)OC[C@@H]1CCCCN1C[C@H]1CC2(CO1)CCN(C(=O)OC(C)(C)C)CC2 ZINC001307748719 1070164730 /nfs/dbraw/zinc/16/47/30/1070164730.db2.gz PEMCDGODSGZZJA-VQTJNVASSA-N 0 3 453.624 3.735 20 0 JHADHN CCCCn1c(N)c(N(Cc2ccccc2)C(=O)CN2CCCCCCCC2)c(=O)[nH]c1=O ZINC001307773206 1070177680 /nfs/dbraw/zinc/17/76/80/1070177680.db2.gz MIGKXUXWDWTGAG-UHFFFAOYSA-N 0 3 455.603 3.521 20 0 JHADHN CC(C)(C)OC(=O)N1CC[C@@H]([C@@H]2CCCN(CC(=O)NCCCOC3CCCCC3)C2)C1 ZINC001307773094 1070176975 /nfs/dbraw/zinc/17/69/75/1070176975.db2.gz KMSJDGFPMDBBJZ-NHCUHLMSSA-N 0 3 451.652 3.811 20 0 JHADHN CC1(C)[C@@H](NCC(=O)Nc2ccccc2S(=O)(=O)C(F)F)C[C@@H]1OCc1ccccc1 ZINC001307777053 1070179590 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CCN1C[C@@H](C)N(c2nnc(-c3ccc(C)c(Br)c3)n2CC(C)(C)O)C[C@@H]1C ZINC001313860915 1071372351 /nfs/dbraw/zinc/37/23/51/1071372351.db2.gz NEXQEHPXORRWNA-JKSUJKDBSA-N 0 3 450.425 3.706 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3nn(CC)c(=O)c4ccccc43)n2CCCCSC)C[C@@H]1C ZINC001313861076 1071372732 /nfs/dbraw/zinc/37/27/32/1071372732.db2.gz BVNDXDKHCFKZHX-OALUTQOASA-N 0 3 483.686 3.737 20 0 JHADHN CCN1C[C@H](C)N(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CCCc2cnn(C)n2)C[C@H]1C ZINC001313862360 1071376003 /nfs/dbraw/zinc/37/60/03/1071376003.db2.gz PYVZNRALSVDYIJ-RZUBCFFCSA-N 0 3 480.661 3.715 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(-c3cccc(Br)c3)n2CCc2nccnc2C)C[C@H]1C ZINC001313862371 1071376314 /nfs/dbraw/zinc/37/63/14/1071376314.db2.gz QCKCADLSEKPEPJ-IAGOWNOFSA-N 0 3 484.446 3.968 20 0 JHADHN CCN1C[C@H](C)N(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@H]2CC(F)(F)CO2)C[C@@H]1C ZINC001313861948 1071376521 /nfs/dbraw/zinc/37/65/21/1071376521.db2.gz OJHBWVOQYRZGHJ-OGNFBWPZSA-N 0 3 467.536 3.900 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(C(C)(C)C)n2CCOc2cccc(C(F)(F)F)n2)C[C@H]1C ZINC001313863049 1071379492 /nfs/dbraw/zinc/37/94/92/1071379492.db2.gz UYIDEWXWIUZRGT-HZPDHXFCSA-N 0 3 454.541 3.987 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(-c3ccc(OC)cc3)n2CCCOCC2CCOCC2)C[C@@H]1C ZINC001313862886 1071379655 /nfs/dbraw/zinc/37/96/55/1071379655.db2.gz COWFVUOANXSPCF-LEWJYISDSA-N 0 3 471.646 3.706 20 0 JHADHN CC[C@H](CNC(=O)Nc1ccc(C(=O)NC2CCOCC2)cc1)N1CCc2ccccc2C1 ZINC001310421290 1071380165 /nfs/dbraw/zinc/38/01/65/1071380165.db2.gz RAFALSDYZXZCBA-XMMPIXPASA-N 0 3 450.583 3.554 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3ccc4ccccc4n3)n2CCC(=O)NC(C)(C)C)C[C@@H]1C ZINC001313863323 1071381315 /nfs/dbraw/zinc/38/13/15/1071381315.db2.gz CWLWBMYAEQHTAD-OALUTQOASA-N 0 3 463.630 3.717 20 0 JHADHN CCN1C[C@H](C)N(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ccc(Cl)c(OC)c2)C[C@H]1C ZINC001313864422 1071386496 /nfs/dbraw/zinc/38/64/96/1071386496.db2.gz UZSRLDVGXQNKTD-HHJKRLRDSA-N 0 3 492.064 3.948 20 0 JHADHN CCN1C[C@H](C)N(c2nnc([C@]3(OC(C)C)CCOC3)n2CCCc2ccccc2)C[C@H]1C ZINC001313864677 1071388317 /nfs/dbraw/zinc/38/83/17/1071388317.db2.gz VPOZQORNMKZTCD-UFPGJGBJSA-N 0 3 455.647 3.870 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(CCc3ccc(OC)cc3)n2C[C@@H]2CCOC[C@@H]2C)C[C@@H]1C ZINC001313865350 1071391979 /nfs/dbraw/zinc/39/19/79/1071391979.db2.gz AGHPXOMDNFCDCL-FKEBYFGASA-N 0 3 455.647 3.663 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(C3CCN(c4ncccn4)CC3)n2CC(CC)(CC)OC)C[C@@H]1C ZINC001313865518 1071393249 /nfs/dbraw/zinc/39/32/49/1071393249.db2.gz DYZSGCOPWGHNEA-SFTDATJTSA-N 0 3 484.693 3.576 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(CCCc3ccccc3)n2CCn2cc(Cl)cn2)C[C@@H]1C ZINC001313866247 1071395203 /nfs/dbraw/zinc/39/52/03/1071395203.db2.gz FQLWBZJHFFNPNS-PMACEKPBSA-N 0 3 456.038 3.922 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(CCc3ccccc3)n2CCCNC(=O)OC(C)(C)C)C[C@@H]1C ZINC001313867269 1071399726 /nfs/dbraw/zinc/39/97/26/1071399726.db2.gz IYFCQEKRTXAJOK-LEWJYISDSA-N 0 3 470.662 3.897 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(CN3CCCC3=O)n2Cc2cccc(COC(C)(C)C)c2)C[C@@H]1C ZINC001313866343 1071395370 /nfs/dbraw/zinc/39/53/70/1071395370.db2.gz FYLJLMOVDQHXCF-LEWJYISDSA-N 0 3 482.673 3.683 20 0 JHADHN CCN1C[C@H](C)N(c2nnc([C@@H](C)OCCOC)n2Cc2ccc3ncccc3c2)C[C@@H]1C ZINC001313866398 1071395913 /nfs/dbraw/zinc/39/59/13/1071395913.db2.gz ZGWXKWHBRKPKPC-SLFFLAALSA-N 0 3 452.603 3.518 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3ccc4c(c3)OCCO4)n2C[C@H](OC)C(C)(C)C)C[C@H]1C ZINC001313866663 1071396418 /nfs/dbraw/zinc/39/64/18/1071396418.db2.gz KSCFLVWSSVFONX-FGSXEWAUSA-N 0 3 457.619 3.696 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H](C)NC(=O)OC(C)(C)C)C[C@@H]1C ZINC001313867101 1071398441 /nfs/dbraw/zinc/39/84/41/1071398441.db2.gz LFMPDCWYKIXUIY-IXDOHACOSA-N 0 3 478.041 3.826 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3cccnc3)n2CCc2ccc(OCC(F)(F)F)nc2)C[C@@H]1C ZINC001313867690 1071400907 /nfs/dbraw/zinc/40/09/07/1071400907.db2.gz ADLYYPGFDJEALD-ROUUACIJSA-N 0 3 489.546 3.838 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(-c3cccc(C)n3)n2Cc2ccccc2OCCOC)C[C@@H]1C ZINC001313868630 1071405622 /nfs/dbraw/zinc/40/56/22/1071405622.db2.gz VNECOGHANQUKRR-LEWJYISDSA-N 0 3 464.614 3.641 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(-c3ccc[nH]3)n2CCCCn2cc(Br)cn2)C[C@H]1C ZINC001313867748 1071401643 /nfs/dbraw/zinc/40/16/43/1071401643.db2.gz AOTCCQMXNBYDTK-IAGOWNOFSA-N 0 3 475.439 3.632 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(Cc3ccccc3F)n2CCCNc2ccccn2)C[C@@H]1C ZINC001313868114 1071402315 /nfs/dbraw/zinc/40/23/15/1071402315.db2.gz AQEVXPYMDIFWQE-PMACEKPBSA-N 0 3 451.594 3.824 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3ccccn3)n2CC2=CCN(C(=O)OC(C)(C)C)CC2)C[C@@H]1C ZINC001313868447 1071404384 /nfs/dbraw/zinc/40/43/84/1071404384.db2.gz BIQDTVMYLACKFP-PMACEKPBSA-N 0 3 481.645 3.826 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3cccnc3)n2Cc2ccc(C)cc2OCCOC)C[C@@H]1C ZINC001313869298 1071408528 /nfs/dbraw/zinc/40/85/28/1071408528.db2.gz CHSAMTYDESMNDV-SFTDATJTSA-N 0 3 464.614 3.641 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(Cc3csc(C)n3)n2CCc2ccc(OC)c(OC)c2)C[C@H]1C ZINC001313869585 1071409151 /nfs/dbraw/zinc/40/91/51/1071409151.db2.gz QKSNWUMZMDAJHG-QZTJIDSGSA-N 0 3 484.670 3.813 20 0 JHADHN CCN(C(=O)OC(C)(C)C)[C@H](C)Cn1c(-c2cccnc2)nnc1N1C[C@H](C)N(CC)C[C@H]1C ZINC001313870118 1071412309 /nfs/dbraw/zinc/41/23/09/1071412309.db2.gz FQOAJASBDZBDMJ-XUVXKRRUSA-N 0 3 471.650 3.905 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(CCc3ccccc3)n2CCn2cc(Br)cn2)C[C@@H]1C ZINC001313870480 1071413335 /nfs/dbraw/zinc/41/33/35/1071413335.db2.gz SYEURFRRWXXESU-OALUTQOASA-N 0 3 486.462 3.641 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(Cc3ccccc3F)n2Cc2ccnc(OC(F)F)c2)C[C@@H]1C ZINC001313870601 1071414298 /nfs/dbraw/zinc/41/42/98/1071414298.db2.gz DZDRHNQFMIVKPV-IRXDYDNUSA-N 0 3 474.531 3.972 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(Cc3c(F)cccc3F)n2CC2CCN(C(=O)OC)CC2)C[C@@H]1C ZINC001313870690 1071414942 /nfs/dbraw/zinc/41/49/42/1071414942.db2.gz FQEGXDPRLITCHG-ROUUACIJSA-N 0 3 490.599 3.544 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(Cc3c(F)cccc3F)n2CC2CCN(C(=O)OC)CC2)C[C@H]1C ZINC001313870686 1071415100 /nfs/dbraw/zinc/41/51/00/1071415100.db2.gz FQEGXDPRLITCHG-MSOLQXFVSA-N 0 3 490.599 3.544 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(CN3CCCC3=O)n2C[C@@H]2CCCC[C@@H]2C(F)(F)F)C[C@H]1C ZINC001313873114 1071424776 /nfs/dbraw/zinc/42/47/76/1071424776.db2.gz CFMCOYKEPWNFBR-YRXWBPOGSA-N 0 3 470.584 3.688 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@]2(O)CCO[C@H]2C)C[C@@H]1C ZINC001313873918 1071426366 /nfs/dbraw/zinc/42/63/66/1071426366.db2.gz FFWFEHWYMOHEKZ-CFLDLGCGSA-N 0 3 498.455 3.623 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(COc3ccc(C)c(C)c3)n2CCc2nnc(C)s2)C[C@H]1C ZINC001313874012 1071427223 /nfs/dbraw/zinc/42/72/23/1071427223.db2.gz FTFICUXZJUOMOT-MOPGFXCFSA-N 0 3 469.659 3.795 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(OC(F)F)cc2)C[C@H]1C ZINC001313874036 1071427239 /nfs/dbraw/zinc/42/72/39/1071427239.db2.gz FYQNTZJQDAMGST-MOPGFXCFSA-N 0 3 473.572 3.708 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(Cc3ccccn3)n2C[C@@H](C)CN(C)C(=O)OC(C)(C)C)C[C@@H]1C ZINC001313874373 1071427776 /nfs/dbraw/zinc/42/77/76/1071427776.db2.gz NQZJEVAQUZBYRH-ACRUOGEOSA-N 0 3 485.677 3.686 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(COc3ccc(Cl)cc3)n2Cc2ccc(OC)nc2)C[C@@H]1C ZINC001313875122 1071432003 /nfs/dbraw/zinc/43/20/03/1071432003.db2.gz LEGDSODXQUHBHD-ROUUACIJSA-N 0 3 471.005 3.881 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(Cl)cc2OC)C[C@@H]1C ZINC001313875110 1071432156 /nfs/dbraw/zinc/43/21/56/1071432156.db2.gz LBBUJCZVIYUALH-RBUKOAKNSA-N 0 3 472.037 3.769 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3cccnc3)n2Cc2c(Cl)c(C(F)(F)F)nn2C)C[C@H]1C ZINC001313875167 1071433091 /nfs/dbraw/zinc/43/30/91/1071433091.db2.gz RBEOVLFJTAIEPG-KGLIPLIRSA-N 0 3 482.942 3.713 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(COc3cccc(C)c3)n2CCCN(C)CC(F)(F)F)C[C@H]1C ZINC001313876487 1071438407 /nfs/dbraw/zinc/43/84/07/1071438407.db2.gz OYEFLJOHPSSVCK-WOJBJXKFSA-N 0 3 482.595 3.969 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(CNC(=O)c3cccs3)n2CCc2ccc(F)cc2)C[C@H]1C ZINC001313876965 1071439903 /nfs/dbraw/zinc/43/99/03/1071439903.db2.gz PSSXOEIMWZCARD-MSOLQXFVSA-N 0 3 470.618 3.570 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(-c3ccccc3C)n2CCC(=O)N2CCCCCC2)C[C@H]1C ZINC001313877319 1071441627 /nfs/dbraw/zinc/44/16/27/1071441627.db2.gz WQBQUKFDRLCDCD-FGZHOGPDSA-N 0 3 452.647 3.965 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3ccccc3C)n2CC[C@@H](N2CCOCC2)C(F)(F)F)C[C@H]1C ZINC001313878492 1071445316 /nfs/dbraw/zinc/44/53/16/1071445316.db2.gz YPAYYGGUFVHKSE-RZUBCFFCSA-N 0 3 494.606 3.826 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3cccn3C)n2Cc2cc(Cl)c(OC)c(OC)c2)C[C@H]1C ZINC001313878863 1071447008 /nfs/dbraw/zinc/44/70/08/1071447008.db2.gz ZHQLTBMQZDLTMI-SJORKVTESA-N 0 3 473.021 3.921 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(Cc3cccnc3)n2CCNc2ncc(Cl)cc2Cl)C[C@H]1C ZINC001313879079 1071447764 /nfs/dbraw/zinc/44/77/64/1071447764.db2.gz YPUBTLRUVWVOBD-IAGOWNOFSA-N 0 3 489.455 3.997 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(COc3ccc(OC)cc3)n2Cc2ncccc2C)C[C@H]1C ZINC001313879372 1071449400 /nfs/dbraw/zinc/44/94/00/1071449400.db2.gz ZNPZTPITRRUFFX-WOJBJXKFSA-N 0 3 450.587 3.536 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(COc3ccc(Cl)cc3)n2CCn2cc(C)cn2)C[C@@H]1C ZINC001313878754 1071445974 /nfs/dbraw/zinc/44/59/74/1071445974.db2.gz VIPWJARQTQNKBT-RBUKOAKNSA-N 0 3 458.010 3.635 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc([C@H]3OCC[C@H]3COC)n2CCCc2ccccc2F)C[C@@H]1C ZINC001313881256 1071454290 /nfs/dbraw/zinc/45/42/90/1071454290.db2.gz BMCVFIOCDZWUFY-QRICJDHISA-N 0 3 459.610 3.693 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc([C@H]3OCC[C@H]3COC)n2CCc2ccc(C)cc2C)C[C@H]1C ZINC001313885375 1071465796 /nfs/dbraw/zinc/46/57/96/1071465796.db2.gz OTYFHEVEUFRFFU-HTDNTCHWSA-N 0 3 455.647 3.781 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(CSc3ccccc3OC)n2Cc2ncnn2C(C)(C)C)C[C@@H]1C ZINC001313886342 1071470866 /nfs/dbraw/zinc/47/08/66/1071470866.db2.gz SBKJBKLZCAURPO-OALUTQOASA-N 0 3 498.701 3.893 20 0 JHADHN CCN1C[C@H](C)N(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCC2(O)CCC2)C[C@@H]1C ZINC001313888654 1071478360 /nfs/dbraw/zinc/47/83/60/1071478360.db2.gz XDRLFDONJFIZDI-UFYCRDLUSA-N 0 3 476.666 3.574 20 0 JHADHN CCN1CCC[C@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCS[C@@H](C(C)C)C1 ZINC001313898097 1071504401 /nfs/dbraw/zinc/50/44/01/1071504401.db2.gz NZUVICHGBSRQOL-LEWJYISDSA-N 0 3 491.105 3.924 20 0 JHADHN CCN1CCC[C@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC(C)(COC)CC1 ZINC001313898341 1071504987 /nfs/dbraw/zinc/50/49/87/1071504987.db2.gz RATOGFIJBKZVPB-NRFANRHFSA-N 0 3 489.064 3.599 20 0 JHADHN CCN1CCCC[C@@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@H](C)[C@@H](OC)C1 ZINC001313907243 1071526830 /nfs/dbraw/zinc/52/68/30/1071526830.db2.gz ZYEJFXLBGNALFA-BWAGFHJFSA-N 0 3 489.064 3.597 20 0 JHADHN CNC(=O)CC1CCN(c2nnc(-c3ccc(Cl)nc3)n2C[C@H](c2cccs2)N(C)C)CC1 ZINC001315022271 1071544348 /nfs/dbraw/zinc/54/43/48/1071544348.db2.gz RIZZKMCDSDHMPS-GOSISDBHSA-N 0 3 488.061 3.710 20 0 JHADHN CCN1CCN([C@H](C)Cn2c([C@@H](C)Oc3ccccc3F)nnc2N(C)CC2CC(F)C2)CC1 ZINC001313922997 1071566301 /nfs/dbraw/zinc/56/63/01/1071566301.db2.gz ZERPIVXCHZHHQU-HJLBWTBNSA-N 0 3 476.616 3.768 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(-c3ccccc3F)nnc2N2CCC[C@@H](OCC(F)(F)F)C2)CC1 ZINC001313924394 1071570395 /nfs/dbraw/zinc/57/03/95/1071570395.db2.gz DSSWZXGBFSSKLN-RBUKOAKNSA-N 0 3 498.569 3.658 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(-c3cccn3C)nnc2N(Cc2cccc(F)c2)C(C)C)CC1 ZINC001313924241 1071569615 /nfs/dbraw/zinc/56/96/15/1071569615.db2.gz CYJSVWXWCWBGIK-NRFANRHFSA-N 0 3 467.637 3.864 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(-c3cccnc3)nnc2N(C)Cc2cccc(OC(C)C)c2)CC1 ZINC001313925033 1071572294 /nfs/dbraw/zinc/57/22/94/1071572294.db2.gz LGFHCPBYFVAGDV-QFIPXVFZSA-N 0 3 477.657 3.790 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(-c3ccc(F)cc3Br)nnc2N(C)CC(C)C)CC1 ZINC001313925464 1071574071 /nfs/dbraw/zinc/57/40/71/1071574071.db2.gz RBHMLORSCRVZNO-QGZVFWFLSA-N 0 3 481.458 3.965 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(COc3ccccc3F)nnc2N2CCS[C@H](C(C)C)C2)CC1 ZINC001313926459 1071576797 /nfs/dbraw/zinc/57/67/97/1071576797.db2.gz CJJDRFISSPYSFX-OFNKIYASSA-N 0 3 490.693 3.600 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(COc3cc(C)ccc3C)nnc2N2CCOC(C)(C)[C@@H]2C)CC1 ZINC001313926657 1071576997 /nfs/dbraw/zinc/57/69/97/1071576997.db2.gz DYGMMHIQORTVBS-GOTSBHOMSA-N 0 3 484.689 3.504 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(CC(C)(C)C)nnc2N2CCc3cc(OC)c(OC)cc3CC2)CC1 ZINC001313927728 1071581122 /nfs/dbraw/zinc/58/11/22/1071581122.db2.gz JVOJJWFVJXQRRF-OAQYLSRUSA-N 0 3 498.716 3.515 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(-c3cccc(C)n3)nnc2N(C)C[C@@H](C)c2ccccc2)CC1 ZINC001313927720 1071581146 /nfs/dbraw/zinc/58/11/46/1071581146.db2.gz JUAOKIBDSLSTOO-GGAORHGYSA-N 0 3 461.658 3.914 20 0 JHADHN CCN(Cc1ccccc1F)c1nnc(Cc2csc(C)n2)n1C[C@H](C)N1CCN(CC)CC1 ZINC001313926873 1071578272 /nfs/dbraw/zinc/57/82/72/1071578272.db2.gz HHXUEZXFOCMSQJ-IBGZPJMESA-N 0 3 485.677 3.825 20 0 JHADHN CCN1CCN([C@H](C)Cn2c([C@@H]3CCCCO3)nnc2N(C)[C@@H](C)c2ccc(OC)cc2)CC1 ZINC001313927637 1071580862 /nfs/dbraw/zinc/58/08/62/1071580862.db2.gz JLVJNSNPZRBRBO-DPLHUUCSSA-N 0 3 470.662 3.752 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCCC[C@@H](SC)C2)CC1 ZINC001313927863 1071582136 /nfs/dbraw/zinc/58/21/36/1071582136.db2.gz PKRCZOXRBBYQGN-WBADGQHESA-N 0 3 492.778 3.945 20 0 JHADHN CCN1CCN([C@H](C)Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCS[C@H](C(C)C)C2)CC1 ZINC001313929003 1071585050 /nfs/dbraw/zinc/58/50/50/1071585050.db2.gz WZSSOVUIWGVIBK-BXXSPATCSA-N 0 3 492.778 3.801 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(Cc3c(F)cccc3F)nnc2N2CCSC(C)(C)C2)CC1 ZINC001313929007 1071585151 /nfs/dbraw/zinc/58/51/51/1071585151.db2.gz RCLRJQOEDRQXCR-SFHVURJKSA-N 0 3 478.657 3.505 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(COc3cc(C)cc(C)c3)nnc2N2CCC(C)CC2)CC1 ZINC001313929076 1071585982 /nfs/dbraw/zinc/58/59/82/1071585982.db2.gz XIPQVWIKTLRMJA-QHCPKHFHSA-N 0 3 454.663 3.736 20 0 JHADHN CCN(CCc1ccccc1)c1nnc([C@H]2CCCCO2)n1C[C@H](C)N1CCN(CC)CC1 ZINC001313929176 1071586072 /nfs/dbraw/zinc/58/60/72/1071586072.db2.gz NWDZJNXOHYRVDD-LADGPHEKSA-N 0 3 454.663 3.615 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(C3CCC3)nnc2N(C)Cc2cc(Cl)ccc2OC)CC1 ZINC001313930751 1071590312 /nfs/dbraw/zinc/59/03/12/1071590312.db2.gz RKLYZGMLAYLFFK-GOSISDBHSA-N 0 3 461.054 3.870 20 0 JHADHN CCN1CCN([C@H]2CCN(c3nnc(C(C)C)n3C[C@H](C)Cc3ccc(OC)cc3)C2)CC1 ZINC001313944276 1071624605 /nfs/dbraw/zinc/62/46/05/1071624605.db2.gz ZHIAUWLCDZHEJG-GGAORHGYSA-N 0 3 454.663 3.505 20 0 JHADHN CCN1CCN(C[C@@H](C)Cn2c(CSc3ccc(C)cc3)nnc2N2CCOC(C)(C)C2)CC1 ZINC001313951031 1071640460 /nfs/dbraw/zinc/64/04/60/1071640460.db2.gz CTROGPHNQMOZGT-JOCHJYFZSA-N 0 3 486.730 3.768 20 0 JHADHN CCN1CCN(C[C@H](C)Cn2c(N3CCC([C@@H]4CC4(F)F)CC3)nnc2C(C)(C)C)CC1 ZINC001313952146 1071644416 /nfs/dbraw/zinc/64/44/16/1071644416.db2.gz NQNOVJOLTPLPMU-ICSRJNTNSA-N 0 3 452.638 3.721 20 0 JHADHN CCN1CCN(C[C@H](C)Cn2c(COc3ccccc3OC)nnc2N2C[C@@H](C)CC[C@H]2C)CC1 ZINC001313952441 1071645799 /nfs/dbraw/zinc/64/57/99/1071645799.db2.gz QEDBXBJZVCWPCD-RJGXRXQPSA-N 0 3 484.689 3.764 20 0 JHADHN CCN1CCN(C[C@H](C)Cn2c([C@H]3CCCOC3)nnc2N(C)[C@@H](C)c2ccc(F)c(F)c2)CC1 ZINC001313954252 1071651212 /nfs/dbraw/zinc/65/12/12/1071651212.db2.gz MNBIMWHTIGEXQH-ONTIZHBOSA-N 0 3 490.643 3.921 20 0 JHADHN CCN1CCN(C[C@H](C)Cn2c(Cc3ccccc3OC)nnc2N2CC[C@](C)(CC)C2)CC1 ZINC001313954701 1071652531 /nfs/dbraw/zinc/65/25/31/1071652531.db2.gz CAORXEDJVSZDSA-CUNXSJBXSA-N 0 3 468.690 3.778 20 0 JHADHN CCN1CCN(C[C@H](C)Cn2c(COc3cc(C)cc(C)c3)nnc2N2C[C@H](C)OC(C)(C)C2)CC1 ZINC001313955170 1071654828 /nfs/dbraw/zinc/65/48/28/1071654828.db2.gz FVZVQVHKUGHKKN-ZEQRLZLVSA-N 0 3 498.716 3.751 20 0 JHADHN CCN1CCN(C[C@@H](C)Cn2c(Cc3csc(C)n3)nnc2N2CCC(CC)(CC)C2)CC1 ZINC001313955406 1071655516 /nfs/dbraw/zinc/65/55/16/1071655516.db2.gz GYEDEJGTXFPCHJ-HXUWFJFHSA-N 0 3 473.735 3.924 20 0 JHADHN CCN1CCN(C[C@@H](C)Cn2c([C@@H]3CCOC3)nnc2N(C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC001313955928 1071656614 /nfs/dbraw/zinc/65/66/14/1071656614.db2.gz WEKCRGUPQIFGNV-TZIWHRDSSA-N 0 3 494.606 3.711 20 0 JHADHN CCN1CCN(C[C@H](C)Cn2c(Cn3nc(C)cc3C)nnc2N(C)[C@@H](C)c2cccs2)CC1 ZINC001313957263 1071660011 /nfs/dbraw/zinc/66/00/11/1071660011.db2.gz QCJIZCJSYSMEKL-UGKGYDQZSA-N 0 3 484.718 3.672 20 0 JHADHN CCN1CCN(C[C@@H](C)Cn2c(CC(C)(C)C)nnc2N2CCN(c3ccccc3C)CC2)CC1 ZINC001313957282 1071660133 /nfs/dbraw/zinc/66/01/33/1071660133.db2.gz QMCGXUGWEGCSST-HSZRJFAPSA-N 0 3 481.733 3.775 20 0 JHADHN CCN1CCN(CCCn2c(CC(C)(C)C)nnc2N2CCO[C@@H](CCc3ccccc3)C2)CC1 ZINC001313957530 1071660637 /nfs/dbraw/zinc/66/06/37/1071660637.db2.gz VYELVMCVMIQWFZ-VWLOTQADSA-N 0 3 482.717 3.732 20 0 JHADHN CCN1CCN(C[C@H](C)Cn2c(CC(C)(C)C)nnc2N2CCCC3(CCOCC3)C2)CC1 ZINC001313957589 1071660651 /nfs/dbraw/zinc/66/06/51/1071660651.db2.gz QPMRSQOGTZYOHK-QFIPXVFZSA-N 0 3 460.711 3.537 20 0 JHADHN CCN1CCN(CCCn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2CC(C)(C)OC[C@@H]2C)CC1 ZINC001313960656 1071670479 /nfs/dbraw/zinc/67/04/79/1071670479.db2.gz MZLNGBGBADWYIN-LEWJYISDSA-N 0 3 488.652 3.589 20 0 JHADHN CCN1CCN(CCCn2c(Cc3ccc(F)cc3)nnc2N2CCC=C(Br)C2)CC1 ZINC001313961294 1071672196 /nfs/dbraw/zinc/67/21/96/1071672196.db2.gz QOWGVLZLJHUEQG-UHFFFAOYSA-N 0 3 491.453 3.525 20 0 JHADHN CCNC(=O)C1(Cn2c(-c3cccc(Cl)c3)nnc2N2C[C@@H](C)N(CC)C[C@H]2C)CCC1 ZINC001313975339 1071705474 /nfs/dbraw/zinc/70/54/74/1071705474.db2.gz PIMVGFXIMPFKGC-QZTJIDSGSA-N 0 3 459.038 3.824 20 0 JHADHN CCOC(=O)N1CCN(c2nnc(-c3ccccc3F)n2CCN(CC)CCC(F)(F)F)CC1 ZINC001314022004 1071775407 /nfs/dbraw/zinc/77/54/07/1071775407.db2.gz LLESNVOTQFVYLR-UHFFFAOYSA-N 0 3 486.514 3.637 20 0 JHADHN CCOC(=O)N[C@H](CC(C)C)Cn1c(-c2ccc(C)o2)nnc1N1CCN(CC2CC2)CC1 ZINC001314030870 1071803690 /nfs/dbraw/zinc/80/36/90/1071803690.db2.gz XPNLGOKEGVYZFX-HXUWFJFHSA-N 0 3 458.607 3.539 20 0 JHADHN CCOC(=O)N[C@H]1CCCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCN2CCCCC2)C1 ZINC001314032043 1071808469 /nfs/dbraw/zinc/80/84/69/1071808469.db2.gz AHBHQUYBIYQUAR-UXHICEINSA-N 0 3 488.608 3.758 20 0 JHADHN CCOC(=O)N[C@@H]1CCCN(c2nnc(CC(C)(C)C)n2C[C@@H](c2ccccc2)N(C)C)C1 ZINC001314037717 1071831373 /nfs/dbraw/zinc/83/13/73/1071831373.db2.gz ATETXLCKNYYREU-RTWAWAEBSA-N 0 3 456.635 3.885 20 0 JHADHN CCOC(C)(C)Cn1c(-c2cccc(Br)c2)nnc1N1CCN(C2CCOCC2)CC1 ZINC001314044079 1071855256 /nfs/dbraw/zinc/85/52/56/1071855256.db2.gz PVLSJXGOILWSML-UHFFFAOYSA-N 0 3 492.462 3.824 20 0 JHADHN CCOC(C)(C)Cn1c(CCCc2ccccc2)nnc1N1CCN(C2CCOCC2)C[C@H]1C ZINC001314054874 1071879755 /nfs/dbraw/zinc/87/97/55/1071879755.db2.gz NHYMNEAEJXDREI-JOCHJYFZSA-N 0 3 469.674 3.958 20 0 JHADHN CCO[C@@H](CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C(C)(C)C)CC1)C(C)C ZINC001314063500 1071904941 /nfs/dbraw/zinc/90/49/41/1071904941.db2.gz SMACRPOBELNEAZ-QFIPXVFZSA-N 0 3 491.702 3.720 20 0 JHADHN CCO[C@H](CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(CN2CCOCC2)CC1)C(C)C ZINC001314063724 1071905486 /nfs/dbraw/zinc/90/54/86/1071905486.db2.gz SOWWZLHMIJBYOU-JOCHJYFZSA-N 0 3 491.080 3.993 20 0 JHADHN CCO[C@@]1(c2nnc(N3CCN(C(C)(C)C)CC3)n2Cc2ccc(OCC(C)C)cc2)CCOC1 ZINC001314138351 1072049934 /nfs/dbraw/zinc/04/99/34/1072049934.db2.gz XUZQEPWFWXOXBM-MHZLTWQESA-N 0 3 485.673 3.934 20 0 JHADHN CCO[C@]1(c2nnc(N3CCS[C@H](CC)C3)n2C[C@H](c2ccccc2)N(C)C)CCOC1 ZINC001314142211 1072057334 /nfs/dbraw/zinc/05/73/34/1072057334.db2.gz FTFIGNUJTVMYBS-PQNGQFLHSA-N 0 3 459.660 3.565 20 0 JHADHN CCc1ccc(-c2nnc(N3C[C@H](C)N(CC)C[C@@H]3C)n2C[C@H](N2CCOCC2)C(F)(F)F)cc1 ZINC001305927174 1068224765 /nfs/dbraw/zinc/22/47/65/1068224765.db2.gz BUEBZCIVUXCAMS-IPJJNNNSSA-N 0 3 494.606 3.690 20 0 JHADHN CCc1ccc(-c2nnc(N3CCN(C4CCOCC4)CC3)n2CCCNC(=O)OC(C)(C)C)cc1 ZINC001305943343 1068255005 /nfs/dbraw/zinc/25/50/05/1068255005.db2.gz ABTRHOLALWWBSR-UHFFFAOYSA-N 0 3 498.672 3.723 20 0 JHADHN CCc1ccc(-c2nnc(N3CCCN(CC)C(=O)C3)n2CCN(CC)CCC(F)(F)F)cc1 ZINC001305946481 1068261757 /nfs/dbraw/zinc/26/17/57/1068261757.db2.gz VMYJLFHBDIDVCL-UHFFFAOYSA-N 0 3 480.579 3.840 20 0 JHADHN CCc1ccc(Cn2c(CC(C)(C)C)nnc2N2C[C@H](C)[C@H](N3CCCN(C(C)=O)CC3)C2)s1 ZINC001305967014 1068300807 /nfs/dbraw/zinc/30/08/07/1068300807.db2.gz TYJNJHICONPWPL-WMZHIEFXSA-N 0 3 486.730 3.918 20 0 JHADHN CCc1ccccc1OCc1nnc(N2C[C@@H](C)N(CC)C[C@H]2C)n1CCNC(=O)C(C)(C)C ZINC001305984954 1068333915 /nfs/dbraw/zinc/33/39/15/1068333915.db2.gz UNWBRCYLMGATDW-WOJBJXKFSA-N 0 3 470.662 3.501 20 0 JHADHN CCc1ccccc1OCc1nnc(N2C[C@H](C)N(CC)C[C@H]2C)n1Cc1nccn1C(F)F ZINC001305985600 1068336277 /nfs/dbraw/zinc/33/62/77/1068336277.db2.gz WNCQCEOTLPLCJF-ZWKOTPCHSA-N 0 3 473.572 3.978 20 0 JHADHN CCc1ccccc1OCc1nnc(N2CCN(C(=O)NC(C)(C)C)CC2)n1CCN1CCCCC1 ZINC001305988573 1068345880 /nfs/dbraw/zinc/34/58/80/1068345880.db2.gz SAQLOIBWYXNBDB-UHFFFAOYSA-N 0 3 497.688 3.536 20 0 JHADHN CCc1csc([C@@H]2CCCN(c3nnc(C(C)C)n3CCCN3CCC[C@@H]3C(=O)N(C)C)C2)n1 ZINC001305998975 1068367930 /nfs/dbraw/zinc/36/79/30/1068367930.db2.gz MYNXBTYTTFBWAU-TZIWHRDSSA-N 0 3 487.718 3.747 20 0 JHADHN CCc1nc(CN(C)c2nnc(-c3ccccc3C)n2C[C@H](C)N2CCN(CC)CC2)cs1 ZINC001306028585 1068425642 /nfs/dbraw/zinc/42/56/42/1068425642.db2.gz FJKQBTRKITXYET-FQEVSTJZSA-N 0 3 467.687 3.935 20 0 JHADHN CCc1nc(CN(C)c2nnc([C@@H]3CCOC3)n2C[C@H](c2ccc(F)cc2)N(C)C)cs1 ZINC001306033976 1068437781 /nfs/dbraw/zinc/43/77/81/1068437781.db2.gz SUEXUOLVVVXAJV-YLJYHZDGSA-N 0 3 458.607 3.879 20 0 JHADHN CCc1nc(Cn2c(CCOc3ccccc3)nnc2N2CCN(C(C)(C)C)CC2)cs1 ZINC001306040006 1068451375 /nfs/dbraw/zinc/45/13/75/1068451375.db2.gz SDXQVWFZIBSMDB-UHFFFAOYSA-N 0 3 454.644 3.887 20 0 JHADHN CCc1nnc(Cn2c(COc3ccccc3OC)nnc2N2CCN(CCC(C)(C)C)CC2)s1 ZINC001306061291 1068500483 /nfs/dbraw/zinc/50/04/83/1068500483.db2.gz PYAHUHVTYAMGKP-UHFFFAOYSA-N 0 3 499.685 3.886 20 0 JHADHN CCc1nnc(N(C)C2CCN(CCn3cccn3)CC2)n1CCc1ccc(SC)cc1 ZINC001306070591 1068505798 /nfs/dbraw/zinc/50/57/98/1068505798.db2.gz KHEREQWLGDSTBT-UHFFFAOYSA-N 0 3 453.660 3.602 20 0 JHADHN CCc1nnc(N2C[C@@H](C)C[C@@]3(C2)OC(=O)Nc2ccc(Cl)c(F)c23)n1CCN(C)CCOC ZINC001306107231 1068520502 /nfs/dbraw/zinc/52/05/02/1068520502.db2.gz COIWIGVSDQEJPU-WNSKOXEYSA-N 0 3 494.999 3.515 20 0 JHADHN CCc1nnc(N2C[C@H](C)C[C@]3(C2)OC(=O)Nc2ccc(Cl)c(F)c23)n1CCN(C)CCOC ZINC001306107229 1068520570 /nfs/dbraw/zinc/52/05/70/1068520570.db2.gz COIWIGVSDQEJPU-IQMFZBJNSA-N 0 3 494.999 3.515 20 0 JHADHN CCc1nnc(N2CCC(C(=O)N3CCC[C@H](C)C3)CC2)n1C[C@@H](c1cccc(F)c1)N(C)C ZINC001306118444 1068525663 /nfs/dbraw/zinc/52/56/63/1068525663.db2.gz SSTZBWNVQSAGHW-CVDCTZTESA-N 0 3 470.637 3.757 20 0 JHADHN CCc1nnc(N2CCC([C@@](C)(O)C(F)(F)F)CC2)n1C[C@H](c1ccc(F)cc1)N(C)C ZINC001306121387 1068530099 /nfs/dbraw/zinc/53/00/99/1068530099.db2.gz JYLOMMVAYFJBPL-WIYYLYMNSA-N 0 3 457.516 3.812 20 0 JHADHN CCc1nnc(N2CCC(CC(=O)N3CCCC3)CC2)n1C[C@H](c1cccc(F)c1)N(C)C ZINC001306130685 1068533944 /nfs/dbraw/zinc/53/39/44/1068533944.db2.gz FORWCDDNUCEGNF-JOCHJYFZSA-N 0 3 456.610 3.511 20 0 JHADHN CCc1nnc(N2CCN(C(=O)N3CCCCC3)CC2)n1C[C@H](c1ccsc1)N(CC)CC ZINC001306187612 1068578976 /nfs/dbraw/zinc/57/89/76/1068578976.db2.gz PLKKPTOMBQGLCR-OAQYLSRUSA-N 0 3 473.691 3.713 20 0 JHADHN CCc1nnc(N2CCN(C3CCCC3)CC2)n1CCc1ccc(OC)c(Br)c1 ZINC001306200903 1068592472 /nfs/dbraw/zinc/59/24/72/1068592472.db2.gz QXTKKVLCORIBBO-UHFFFAOYSA-N 0 3 462.436 3.919 20 0 JHADHN CCc1nnc(N2CCN(CCN(C)Cc3ccccc3)CC2)n1C[C@@H]1CCCCC1(F)F ZINC001306210037 1068600664 /nfs/dbraw/zinc/60/06/64/1068600664.db2.gz QOSXYCZRJDPXJJ-QFIPXVFZSA-N 0 3 460.617 3.920 20 0 JHADHN CCc1nnc(N2CCO[C@H](c3cnn(CC)c3)C2)n1C[C@H](c1ccsc1)N(CC)CC ZINC001306219075 1068606692 /nfs/dbraw/zinc/60/66/92/1068606692.db2.gz NMQIAZAWQDLYHR-RTWAWAEBSA-N 0 3 457.648 3.779 20 0 JHADHN CC[C@@H]1[C@H](C)CCN1c1nnc(COc2ccccc2OC)n1C[C@@H](C)N1CCN(CC)CC1 ZINC001306279751 1068694840 /nfs/dbraw/zinc/69/48/40/1068694840.db2.gz POFXKJXULQBMPH-YPAWHYETSA-N 0 3 470.662 3.517 20 0 JHADHN CC[C@@H]1CCC[C@@H]1Cn1c(N2C[C@@H](C)[C@@H](N3CCCN(C(C)=O)CC3)C2)nnc1C(C)(C)C ZINC001306315445 1068734776 /nfs/dbraw/zinc/73/47/76/1068734776.db2.gz POAZPIOPAIKTQN-ADHNFCLRSA-N 0 3 458.695 3.781 20 0 JHADHN CC[C@@H]1CCCCN1CCn1c(-c2cccc(Cl)c2)nnc1N1CCC(S(C)(=O)=O)CC1 ZINC001306317972 1068740673 /nfs/dbraw/zinc/74/06/73/1068740673.db2.gz MBNACHDYXUNZFQ-HXUWFJFHSA-N 0 3 480.078 3.876 20 0 JHADHN CC[C@@H]1CCCN1c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@H](C)N1CCN(CC)CC1 ZINC001306342424 1068778967 /nfs/dbraw/zinc/77/89/67/1068778967.db2.gz QPYNIPBWCZGYEQ-JAXLGGSGSA-N 0 3 458.626 3.962 20 0 JHADHN CC[C@H]1CCCN1c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCN(CC)CCC(F)(F)F ZINC001306343620 1068780224 /nfs/dbraw/zinc/78/02/24/1068780224.db2.gz DCGOCHGQTGAWDK-SFHVURJKSA-N 0 3 477.539 3.574 20 0 JHADHN CC[C@H]1CCCN1c1nnc(COc2cc(C)ccc2C)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001306355235 1068790051 /nfs/dbraw/zinc/79/00/51/1068790051.db2.gz DUVICVXDUBONJS-XZOQPEGZSA-N 0 3 482.673 3.795 20 0 JHADHN COc1ccc([C@@H](NC(C)C)C(=O)N2CCC(C(=O)NCc3ccc(C)c(F)c3)CC2)cc1 ZINC001306366077 1068801667 /nfs/dbraw/zinc/80/16/67/1068801667.db2.gz JZUHKTRIGQDGGF-XMMPIXPASA-N 0 3 455.574 3.737 20 0 JHADHN CC/C=C/Cn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C2CCCC2)CC1 ZINC001306479757 1069020273 /nfs/dbraw/zinc/02/02/73/1069020273.db2.gz RHJVATMXXXRGFT-VHTFYLNKSA-N 0 3 474.650 3.617 20 0 JHADHN CCN1CCN(c2cccc(NC(=O)N[C@@H]3CCN(c4ccc(Cl)cc4F)C3=O)c2)CC1 ZINC001310597470 1069040964 /nfs/dbraw/zinc/04/09/64/1069040964.db2.gz RVCKNELGTACPFZ-HXUWFJFHSA-N 0 3 459.953 3.548 20 0 JHADHN CCN1CCN(c2cccc(NC(=O)N3CCC[C@H]4[C@H]3CCN4C(=O)OC(C)(C)C)c2)CC1 ZINC001310598221 1069042202 /nfs/dbraw/zinc/04/22/02/1069042202.db2.gz WKUUSQXYTWCTDV-FCHUYYIVSA-N 0 3 457.619 3.834 20 0 JHADHN C[C@@H](CNC(=O)Nc1ccc(Oc2ncc(Cl)cn2)c(Cl)c1)CN1CCN(C)CC1 ZINC001310651827 1069086010 /nfs/dbraw/zinc/08/60/10/1069086010.db2.gz WLUZUCLSJAOJMK-AWEZNQCLSA-N 0 3 453.374 3.581 20 0 JHADHN CCCC(=O)NC[C@H]1CCCN(c2nnc(-c3ccc[nH]3)n2C[C@H](c2ccc(F)cc2)N(C)C)C1 ZINC001306516958 1069124783 /nfs/dbraw/zinc/12/47/83/1069124783.db2.gz LFQGGLCDMLTCAK-AUSIDOKSSA-N 0 3 481.620 3.848 20 0 JHADHN CCCC(=O)NC[C@H]1CCCN(c2nnc(-c3cccnc3)n2C[C@@H](c2ccsc2)N(C)C)C1 ZINC001306517395 1069127381 /nfs/dbraw/zinc/12/73/81/1069127381.db2.gz NUYPXWLDGKSDIK-KNQAVFIVSA-N 0 3 481.670 3.837 20 0 JHADHN CCC[C@@](C)(O)Cn1c([C@@H](C)Oc2ccccc2F)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001306531381 1069172355 /nfs/dbraw/zinc/17/23/55/1069172355.db2.gz ZMOWRLYASXPAOL-FQRUVTKNSA-N 0 3 489.636 3.657 20 0 JHADHN CN(CCN1CCN(C(=O)Nc2ccc3c(c2)CN(CC(F)F)C3)CC1)Cc1ccccc1 ZINC001310829755 1069182562 /nfs/dbraw/zinc/18/25/62/1069182562.db2.gz WULBGUACXYLEQV-UHFFFAOYSA-N 0 3 457.569 3.549 20 0 JHADHN CCC[C@H](C)C(=O)NCCn1c(-c2cccc3cccnc32)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C ZINC001306546202 1069203047 /nfs/dbraw/zinc/20/30/47/1069203047.db2.gz AQQFIRFGHDWJDM-HBMCJLEFSA-N 0 3 477.657 3.965 20 0 JHADHN CCC[C@H](C)CN(C)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC001306556564 1069224729 /nfs/dbraw/zinc/22/47/29/1069224729.db2.gz TWKXTXIZQRUPDV-UPVQGACJSA-N 0 3 482.673 3.678 20 0 JHADHN C[C@H]1CN(Cc2ccccc2)CCN(C(=O)N[C@H](CNC(=O)OC(C)(C)C)C(F)(F)F)C1 ZINC001310938166 1069227977 /nfs/dbraw/zinc/22/79/77/1069227977.db2.gz PODZPRHVGJEWOT-FUHWJXTLSA-N 0 3 458.525 3.606 20 0 JHADHN C[C@@H](CNC(=O)Nc1csc(-c2ccc(Br)cc2)n1)CN1CCN(C)CC1 ZINC001311040569 1069255727 /nfs/dbraw/zinc/25/57/27/1069255727.db2.gz NNEXMHIAXUOKLC-AWEZNQCLSA-N 0 3 452.422 3.578 20 0 JHADHN COc1cccc(CN(CCN(C)C)C(=O)Nc2nnc(C(F)(F)C(F)(F)F)s2)c1 ZINC001311089212 1069269612 /nfs/dbraw/zinc/26/96/12/1069269612.db2.gz BKWOIXIWHHYFPH-UHFFFAOYSA-N 0 3 453.437 3.797 20 0 JHADHN CCCC1(Cn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N2C[C@H](C)N(CC)C[C@H]2C)CC1 ZINC001306598201 1069274087 /nfs/dbraw/zinc/27/40/87/1069274087.db2.gz DDTAHKOWLRGGQW-VQTJNVASSA-N 0 3 488.702 3.695 20 0 JHADHN CCOC(=O)c1csc(NC(=O)N(CCN(C)C)Cc2ccsc2)c1C(=O)OCC ZINC001311112762 1069276742 /nfs/dbraw/zinc/27/67/42/1069276742.db2.gz RWCSTUBLRZESGE-UHFFFAOYSA-N 0 3 453.586 3.759 20 0 JHADHN CCC[C@H]1CN(c2nnc(C)n2CCc2coc(-c3ccc(C)cc3)n2)CCN1CCOC ZINC001306618417 1069300723 /nfs/dbraw/zinc/30/07/23/1069300723.db2.gz VYJBLWPYOUHWSU-QHCPKHFHSA-N 0 3 452.603 3.730 20 0 JHADHN CCC[C@@H]1CN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@]2(O)CCO[C@@H]2C)CCN1CCOC ZINC001306618969 1069302974 /nfs/dbraw/zinc/30/29/74/1069302974.db2.gz HRAJFSYHDBBPHP-ATEJDMMGSA-N 0 3 499.700 3.720 20 0 JHADHN CCC[C@@H]1CN(c2nnc(-c3cnccn3)n2[C@@H]2CCC[C@H](C(F)(F)F)C2)CCN1CCOC ZINC001306619823 1069304911 /nfs/dbraw/zinc/30/49/11/1069304911.db2.gz BVRMZIFNPIBILQ-IPMKNSEASA-N 0 3 481.567 3.966 20 0 JHADHN CCC[C@@H]1CN(c2nnc(C(C)(C)C)n2CCN2CCc3sccc3C2)CCN1CCOC ZINC001306620367 1069306885 /nfs/dbraw/zinc/30/68/85/1069306885.db2.gz YKWITXIBOPPLPV-OAQYLSRUSA-N 0 3 474.719 3.633 20 0 JHADHN CCOC(=O)c1cnc(C(F)(F)N2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)nc1Cl ZINC001164618226 719056443 /nfs/dbraw/zinc/05/64/43/719056443.db2.gz AFNDANMGQHQQGT-AEFFLSMTSA-N 0 3 450.917 3.952 20 0 JHADHN FC(F)(c1nc(Cl)cc(N2CCOCC2)n1)N1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC001164620494 719063809 /nfs/dbraw/zinc/06/38/09/719063809.db2.gz FLOLQTDZSNSKPU-RTBURBONSA-N 0 3 463.960 3.612 20 0 JHADHN CC(C)CN1[C@H]2CCN(c3ccc(CN(C)C4CC4)cn3)CC[C@@H]2Oc2ccccc2S1(=O)=O ZINC001164758932 720972027 /nfs/dbraw/zinc/97/20/27/720972027.db2.gz XFEPVWTULGRBOE-GOTSBHOMSA-N 0 3 484.666 3.753 20 0 JHADHN CC(C)CN1[C@H]2CCN(c3ncccc3CN3CCCC3)CC[C@H]2Oc2ccccc2S1(=O)=O ZINC001164756398 720972068 /nfs/dbraw/zinc/97/20/68/720972068.db2.gz HUIWCSCGGAMVHY-XZOQPEGZSA-N 0 3 484.666 3.754 20 0 JHADHN COc1ccc(Cc2c(C)nc(N3CCN4C[C@H](OCc5cccnc5)C[C@@H]4C3)nc2C)cc1 ZINC001164872578 721177089 /nfs/dbraw/zinc/17/70/89/721177089.db2.gz HVIDZXUHXQFHDL-ILBGXUMGSA-N 0 3 459.594 3.568 20 0 JHADHN Cn1cc(CN2CC[C@@H]3CN(c4ccc(-c5ccc(C6OCCCO6)cc5)cn4)C[C@H]3C2)cn1 ZINC001164764178 721179466 /nfs/dbraw/zinc/17/94/66/721179466.db2.gz GLBABAOPZKVVAF-JWQCQUIFSA-N 0 3 459.594 3.876 20 0 JHADHN Cn1cc(CN2CC[C@@H]3CN([C@@H](F)Oc4cccc(-c5ccc(Cl)nn5)c4)C[C@H]3C2)cn1 ZINC001164774486 721218035 /nfs/dbraw/zinc/21/80/35/721218035.db2.gz ZTVBURXFZSVZCW-DNVFCKCGSA-N 0 3 456.953 3.616 20 0 JHADHN COc1cc2cnc(N3CCC[C@]4(C3)COCCN(Cc3c(C)noc3C)C4)cc2cc1OC ZINC001164786030 721368873 /nfs/dbraw/zinc/36/88/73/721368873.db2.gz USVXSPNDHHHERV-SANMLTNESA-N 0 3 466.582 3.976 20 0 JHADHN COC(=O)c1ccc(-c2ccc(N3CC[C@]4(C3)CCC[C@H](CN3CCN(C)CC3)O4)nc2C)cc1 ZINC001164889535 721430767 /nfs/dbraw/zinc/43/07/67/721430767.db2.gz BIDYLAKYMCPWQU-YWEHKCAJSA-N 0 3 478.637 3.609 20 0 JHADHN CCOC(Cc1c(Cl)ncnc1N1CCN2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1)OCC ZINC001164905209 721534008 /nfs/dbraw/zinc/53/40/08/721534008.db2.gz GQGWJOKSKOERPN-IEBWSBKVSA-N 0 3 464.969 3.553 20 0 JHADHN COc1ccc(OC)c(-c2ccc(N3CCN4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)nn2)c1 ZINC001164909288 721558932 /nfs/dbraw/zinc/55/89/32/721558932.db2.gz UDLZNICQSVRDSB-WIYYLYMNSA-N 0 3 450.514 3.642 20 0 JHADHN COc1ccc(CN(C)c2ccnc(N3CCN4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)n2)cc1 ZINC001164910362 721563400 /nfs/dbraw/zinc/56/34/00/721563400.db2.gz WJSFYRQSSOULDC-XUZZJYLKSA-N 0 3 463.557 3.603 20 0 JHADHN CCOc1cc2ncnc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)c2cc1OCC ZINC001164971395 722118220 /nfs/dbraw/zinc/11/82/20/722118220.db2.gz BXEQICGCQAWMRO-CPJSRVTESA-N 0 3 463.582 3.550 20 0 JHADHN FC(F)(c1nc2ccccc2nc1Cl)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164983073 722128379 /nfs/dbraw/zinc/12/83/79/722128379.db2.gz XYPDXPWYAKDTHV-FXAWDEMLSA-N 0 3 459.928 3.950 20 0 JHADHN FC(F)(Cc1nc(Cl)cc(Cl)n1)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164972762 722135799 /nfs/dbraw/zinc/13/57/99/722135799.db2.gz AKTUEHUDXFEOBE-HZPDHXFCSA-N 0 3 458.340 3.537 20 0 JHADHN COC(=O)c1ccc(-c2ccc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)nc2C)cc1 ZINC001164983836 722137046 /nfs/dbraw/zinc/13/70/46/722137046.db2.gz VNWZQXIDDQGTCV-AOYPEHQESA-N 0 3 472.589 3.966 20 0 JHADHN c1ccc2nc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)c(N3CCCCC3)nc2c1 ZINC001164975220 722138007 /nfs/dbraw/zinc/13/80/07/722138007.db2.gz FTKBJTUUZCKLCB-RDGATRHJSA-N 0 3 458.610 3.742 20 0 JHADHN FC(F)(c1cc(Cl)nc(-c2ccncc2)n1)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164978888 722138432 /nfs/dbraw/zinc/13/84/32/722138432.db2.gz KJRYGQZOSDDLKV-VQTJNVASSA-N 0 3 486.954 3.859 20 0 JHADHN c1ccc(-c2nc3ccccc3c(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)n2)nc1 ZINC001164984181 722140950 /nfs/dbraw/zinc/14/09/50/722140950.db2.gz WEHAUYUOZLJNAY-PXDATVDWSA-N 0 3 452.562 3.814 20 0 JHADHN FC(F)(c1cccc2c(Cl)ncnc21)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164975166 722144744 /nfs/dbraw/zinc/14/47/44/722144744.db2.gz FAAJJLSSJVNVLL-FXAWDEMLSA-N 0 3 459.928 3.950 20 0 JHADHN CCC[C@H]1CN(c2nnc(-c3cc4c(s3)CC[C@@H](C)C4)n2CCOC)CCN1CCOC ZINC001306621508 1069310092 /nfs/dbraw/zinc/31/00/92/1069310092.db2.gz XYKBLVGTRJLIEH-QUCCMNQESA-N 0 3 461.676 3.715 20 0 JHADHN CCC[C@@H]1CN(c2nnc(-c3cnccn3)n2CCc2ccc(Cl)s2)CCN1CCOC ZINC001306622929 1069313431 /nfs/dbraw/zinc/31/34/31/1069313431.db2.gz GAFVPKPZUUGUNR-QGZVFWFLSA-N 0 3 476.050 3.630 20 0 JHADHN CCC[C@H]1CN(c2nnc(-c3cccc(C)n3)n2C[C@@](C)(O)c2cc(C)oc2C)CCN1CCOC ZINC001306624193 1069317084 /nfs/dbraw/zinc/31/70/84/1069317084.db2.gz MLJVJBJGMUGAJO-WXVAWEFUSA-N 0 3 496.656 3.703 20 0 JHADHN CCC[C@@H]1CN(c2nnc(CC(C)C)n2Cc2ccc3c(c2)OC(C)(C)O3)CCN1CCOC ZINC001306628549 1069327306 /nfs/dbraw/zinc/32/73/06/1069327306.db2.gz GNGQKNQUFGTSKD-OAQYLSRUSA-N 0 3 471.646 3.969 20 0 JHADHN CCC[C@@H]1CN(c2nnc(Cc3csc(C)n3)n2C[C@@H](c2cccc(OC)c2)N(C)C)CCO1 ZINC001306629342 1069328497 /nfs/dbraw/zinc/32/84/97/1069328497.db2.gz PFIHSSMQRFCYJW-PKTZIBPZSA-N 0 3 484.670 3.951 20 0 JHADHN CCN(C(=O)NC[C@@H](c1ccc(F)cc1)N1CCOCC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001311366318 1069346869 /nfs/dbraw/zinc/34/68/69/1069346869.db2.gz BDVCMBVRTZJAAM-DQEYMECFSA-N 0 3 454.590 3.505 20 0 JHADHN CCC[C@@H]1CN(c2nnc(-c3ccccc3F)n2CCc2ccccn2)CCN1CCOC ZINC001306638608 1069348309 /nfs/dbraw/zinc/34/83/09/1069348309.db2.gz AZFUDFDVYXLMPK-OAQYLSRUSA-N 0 3 452.578 3.659 20 0 JHADHN Cc1cccc(N2CCN(CCCCNC(=O)N[C@H](CCO)c3ccc(Cl)cc3)CC2)c1 ZINC001311380179 1069353877 /nfs/dbraw/zinc/35/38/77/1069353877.db2.gz IRHZNZHKOBIIFZ-XMMPIXPASA-N 0 3 459.034 3.974 20 0 JHADHN CC[C@H](CNC(=O)N1CC2(C1)CCCN(C(=O)OC(C)(C)C)C2)N1CCc2ccccc2C1 ZINC001311396886 1069360848 /nfs/dbraw/zinc/36/08/48/1069360848.db2.gz PWKITXBJAITDBK-JOCHJYFZSA-N 0 3 456.631 3.866 20 0 JHADHN CC[C@@H](CNC(=O)N[C@]12CCC[C@H]1CN(C(=O)OC(C)(C)C)C2)N1CCc2ccccc2C1 ZINC001311395403 1069360396 /nfs/dbraw/zinc/36/03/96/1069360396.db2.gz JSNITESPOASRPO-MCEYFSPLSA-N 0 3 456.631 3.912 20 0 JHADHN CC1CCN(CCNC(=O)N2CCN(c3cccc(OCc4ccc(F)cc4)c3)CC2)CC1 ZINC001311397345 1069361170 /nfs/dbraw/zinc/36/11/70/1069361170.db2.gz DCBOJXPGNGLWKW-UHFFFAOYSA-N 0 3 454.590 3.968 20 0 JHADHN CCCCCn1cc(Cn2c([C@@H]3CCCOC3)nnc2N2CCN(C(C)(C)C)CC2)c(C)n1 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CCOc1ccc(-c2nnc(N3C[C@@H](C)N(CC)C[C@H]3C)n2CCc2nnc(C)s2)cc1OC ZINC001314169136 1069675604 /nfs/dbraw/zinc/67/56/04/1069675604.db2.gz UGQBEVUZYQZPKE-IAGOWNOFSA-N 0 3 485.658 3.674 20 0 JHADHN CCOc1ccc(-c2nnc(N3C[C@@H](C)N(CC)C[C@H]3C)n2Cc2nnc(CC)s2)cc1OC ZINC001314170078 1069678614 /nfs/dbraw/zinc/67/86/14/1069678614.db2.gz YCODBQBOBMUKBZ-IAGOWNOFSA-N 0 3 485.658 3.734 20 0 JHADHN CCOc1ccc(-c2nnc(N3CC[C@@H](C(C)C)C3)n2C[C@@H](C)N2CCN(CC)CC2)cc1OC ZINC001314172422 1069689413 /nfs/dbraw/zinc/68/94/13/1069689413.db2.gz HOYWBPFWTVZFGN-FYYLOGMGSA-N 0 3 484.689 3.861 20 0 JHADHN C[C@@H]1CN(C(=O)N[C@H](COCc2ccccc2)c2ccccc2)CC[C@H]1N1CCN(C)CC1 ZINC001312044858 1069690383 /nfs/dbraw/zinc/69/03/83/1069690383.db2.gz NFHZNZLPBQIJGB-DNRSQYFGSA-N 0 3 450.627 3.612 20 0 JHADHN CCCN(CCn1c(Cc2cccnc2)nnc1N1CCN(CC(C)C)CC1)C(=O)OC(C)(C)C ZINC001307012490 1069716214 /nfs/dbraw/zinc/71/62/14/1069716214.db2.gz GVMKCUFYJBYNPU-UHFFFAOYSA-N 0 3 485.677 3.689 20 0 JHADHN CCOc1ccc(O[C@@H](C)c2nnc(N3CCN(C4CCOCC4)CC3)n2C[C@@H](C)SC)cc1 ZINC001314195629 1069770926 /nfs/dbraw/zinc/77/09/26/1069770926.db2.gz DODMLLUZVMZCPQ-UXHICEINSA-N 0 3 489.686 3.869 20 0 JHADHN CCCN1CC[C@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2ccccc2C(F)(F)F)C1 ZINC001307043621 1069775302 /nfs/dbraw/zinc/77/53/02/1069775302.db2.gz LPAZBMXKOZNTQX-HKUYNNGSSA-N 0 3 499.603 3.567 20 0 JHADHN O=C(NCc1ccccc1CN1CCC(O)CC1)N(CCCO)[C@H]1CCCc2ccccc21 ZINC001312203667 1069778808 /nfs/dbraw/zinc/77/88/08/1069778808.db2.gz DRNMVGMCRXXLLS-SANMLTNESA-N 0 3 451.611 3.615 20 0 JHADHN COc1ccc(C[C@H]2CCCCN2C(=O)NCc2ccccc2CN2CCC(O)CC2)cc1 ZINC001312206997 1069782161 /nfs/dbraw/zinc/78/21/61/1069782161.db2.gz VLIDHAWDSPRUGQ-XMMPIXPASA-N 0 3 451.611 3.959 20 0 JHADHN CCOc1cccc(CCn2c(N3CCN(C(C)(C)C)CC3)nnc2[C@]2(OC(C)C)CCOC2)c1 ZINC001314205954 1069816913 /nfs/dbraw/zinc/81/69/13/1069816913.db2.gz DVCUEZOAGJAOJR-MHZLTWQESA-N 0 3 485.673 3.881 20 0 JHADHN O=C(NCCc1csc(-c2ccccc2)n1)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO 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ULEQHRHERZMIFG-HXOBKFHXSA-N 0 3 457.621 3.684 20 0 JHADHN CN(C)[C@H](CNC(=O)CN1CCOc2cc(Br)c(Cl)cc21)c1ccccc1 ZINC001307564657 1070054182 /nfs/dbraw/zinc/05/41/82/1070054182.db2.gz NOLHQHJCWPYLFB-GOSISDBHSA-N 0 3 452.780 3.720 20 0 JHADHN O=C(N[C@@H]1CCCN(c2ccc(Cl)cc2Cl)C1)N1CCN(CC2CCOCC2)CC1 ZINC001312645634 1070059804 /nfs/dbraw/zinc/05/98/04/1070059804.db2.gz GHEIHADRZCYLCE-LJQANCHMSA-N 0 3 455.430 3.716 20 0 JHADHN CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)N(CC(=O)Nc2cc(C(=O)OC)ccc2C)[C@@H]2CCCC[C@@H]12 ZINC001307576501 1070061340 /nfs/dbraw/zinc/06/13/40/1070061340.db2.gz MRADGZOHLWOHRW-DUZVJDNUSA-N 0 3 457.615 3.904 20 0 JHADHN C[C@H](NC(=O)N(CCO)Cc1cc(Br)ccc1F)[C@H](c1ccccc1)N(C)C ZINC001312661892 1070069311 /nfs/dbraw/zinc/06/93/11/1070069311.db2.gz UBTPMNZOJUBUKZ-MGPUTAFESA-N 0 3 452.368 3.784 20 0 JHADHN O=C1[C@@H](N2CCC(CCCN3CCOCC3)CC2)CCCN1c1ccc(OC(F)F)cc1 ZINC001307603002 1070077479 /nfs/dbraw/zinc/07/74/79/1070077479.db2.gz LKWDAXXCJVYOCQ-QFIPXVFZSA-N 0 3 451.558 3.608 20 0 JHADHN 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CC[C@@H](NCC(=O)N1CCCc2cc(S(=O)(=O)N3CCCC3)ccc21)c1ccc(C)cc1 ZINC001307642463 1070098037 /nfs/dbraw/zinc/09/80/37/1070098037.db2.gz ISQXMAOOELXHLS-HSZRJFAPSA-N 0 3 455.624 3.800 20 0 JHADHN O=C(NC/C=C/c1ccc(Br)cc1)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC001312753679 1070104297 /nfs/dbraw/zinc/10/42/97/1070104297.db2.gz AMDAJTKUTZASPU-WVMBANCBSA-N 0 3 458.400 3.645 20 0 JHADHN COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)CN([C@@H](C)CO)C1CCCC1 ZINC001307684101 1070123747 /nfs/dbraw/zinc/12/37/47/1070123747.db2.gz KDIIKGZNFNYUSJ-KRWDZBQOSA-N 0 3 455.555 3.520 20 0 JHADHN COc1cc(OC)cc(N2CCCN(C(=O)N[C@@H]3CCN(Cc4ccccc4)[C@@H]3C)CC2)c1 ZINC001312815052 1070138224 /nfs/dbraw/zinc/13/82/24/1070138224.db2.gz KHBHHSHRLMDMBM-CJFMBICVSA-N 0 3 452.599 3.589 20 0 JHADHN CN(C)CCN(CCc1ccccc1)C(=O)N[C@@H]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC001312841316 1070150515 /nfs/dbraw/zinc/15/05/15/1070150515.db2.gz OJVYMUBBVMPUQY-DNVJHFABSA-N 0 3 458.647 3.838 20 0 JHADHN 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CCN(c1nnc(-c2ccccc2Cl)n1CC[C@H](C)N1CCCCC1)[C@H]1CCS(=O)(=O)C1 ZINC001313592702 1070719750 /nfs/dbraw/zinc/71/97/50/1070719750.db2.gz UNGNOEYCQLWCGD-OALUTQOASA-N 0 3 480.078 3.876 20 0 JHADHN COc1cc(Br)c(F)cc1S(=O)(=O)NC(C)(C)CN(C)Cc1ccccc1 ZINC001309371865 1070730511 /nfs/dbraw/zinc/73/05/11/1070730511.db2.gz LXDUEMXRLTTXHK-UHFFFAOYSA-N 0 3 459.381 3.786 20 0 JHADHN CN(C)C(=O)[C@@H]1CCCN1CCCn1c(N(C)Cc2ccc(Br)o2)nnc1C(C)(C)C ZINC001314629779 1070728658 /nfs/dbraw/zinc/72/86/58/1070728658.db2.gz UGZSZAWOAIAYGZ-KRWDZBQOSA-N 0 3 495.466 3.510 20 0 JHADHN CN(C)[C@@H](Cn1c(-c2cccn2C)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1)c1ccsc1 ZINC001314648878 1070753611 /nfs/dbraw/zinc/75/36/11/1070753611.db2.gz PFBSGXFXWNUREX-QUCCMNQESA-N 0 3 485.658 3.751 20 0 JHADHN CN(C)[C@@H](Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC(CO)CC1)c1ccc(F)cc1 ZINC001314649162 1070754655 /nfs/dbraw/zinc/75/46/55/1070754655.db2.gz SXGMGEWTZKXNEX-FQEVSTJZSA-N 0 3 458.969 3.644 20 0 JHADHN CN(C)[C@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCN(C(C)(C)C)CC1)c1c(F)cccc1F ZINC001314649411 1070756024 /nfs/dbraw/zinc/75/60/24/1070756024.db2.gz BADMIGHZZBHGFW-WIYYLYMNSA-N 0 3 476.616 3.674 20 0 JHADHN CN(C)[C@@H](Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCNC(=O)C1)c1ccsc1 ZINC001314649668 1070756946 /nfs/dbraw/zinc/75/69/46/1070756946.db2.gz XJLHSGBQSAHGMJ-FQEVSTJZSA-N 0 3 452.628 3.543 20 0 JHADHN CN(C)[C@@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@H]1CCOC1)c1ccc(F)cc1 ZINC001314651172 1070760636 /nfs/dbraw/zinc/76/06/36/1070760636.db2.gz AWNICYOIFWBORV-LNRXMEIDSA-N 0 3 459.610 3.864 20 0 JHADHN CN(Cc1ccccc1)[C@@H](CNS(=O)(=O)c1cnc(Cl)c(Br)c1)C1CC1 ZINC001309425983 1070763363 /nfs/dbraw/zinc/76/33/63/1070763363.db2.gz AMOZSKQHHPADHC-KRWDZBQOSA-N 0 3 458.809 3.686 20 0 JHADHN CN(C)[C@@H](Cn1c(C2CCC2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1)c1ccccc1 ZINC001314652549 1070763630 /nfs/dbraw/zinc/76/36/30/1070763630.db2.gz ZUXFQOCWLSBDTM-YADHBBJMSA-N 0 3 452.647 3.980 20 0 JHADHN CN(C)[C@@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1)C1CCCCC1 ZINC001314654370 1070768893 /nfs/dbraw/zinc/76/88/93/1070768893.db2.gz GJVYNBUFVJPPBL-VXKWHMMOSA-N 0 3 494.105 3.656 20 0 JHADHN CN(C)[C@H](Cn1c(CC(C)(C)C)nnc1N1CCC[C@@H](N2CCCC2=O)C1)c1cccc(F)c1 ZINC001314654814 1070770463 /nfs/dbraw/zinc/77/04/63/1070770463.db2.gz HZLXLICIIKWSJR-FGZHOGPDSA-N 0 3 470.637 3.900 20 0 JHADHN CN(C)[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCC[C@@H](C(=O)NC2CC2)C1)c1cccc(F)c1 ZINC001314654934 1070770760 /nfs/dbraw/zinc/77/07/60/1070770760.db2.gz IZKFWKNUSDVTNJ-KNQAVFIVSA-N 0 3 470.637 3.804 20 0 JHADHN CN(C)[C@@H](Cn1c(Cc2c(F)cccc2F)nnc1N1CCC(CO)CC1)c1cccs1 ZINC001314655133 1070771560 /nfs/dbraw/zinc/77/15/60/1070771560.db2.gz IZVUGBOHMCIVJZ-FQEVSTJZSA-N 0 3 461.582 3.720 20 0 JHADHN CN(C)[C@H](Cn1c(CC(C)(C)C)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1)c1ccc(F)cc1 ZINC001314655506 1070773021 /nfs/dbraw/zinc/77/30/21/1070773021.db2.gz LWICAFOPZVXXKU-YPAWHYETSA-N 0 3 459.610 3.693 20 0 JHADHN CN(C)[C@H](Cn1c(Cc2ccsc2)nnc1N1CCN(CC(F)F)CC1)c1cccc(F)c1 ZINC001314657111 1070776234 /nfs/dbraw/zinc/77/62/34/1070776234.db2.gz WBDPVMRKPMEFOK-HXUWFJFHSA-N 0 3 478.588 3.760 20 0 JHADHN CCOC(=O)c1oc2ccc(S(=O)(=O)NC[C@H]3CCN(Cc4ccccc4)C3)cc2c1C ZINC001309461628 1070783682 /nfs/dbraw/zinc/78/36/82/1070783682.db2.gz ULYXRJJWPMGVAD-LJQANCHMSA-N 0 3 456.564 3.718 20 0 JHADHN CN(C)CC[NH+]1CCC(Cn2c(N3CCC(C(=O)c4ccc([O-])cc4)CC3)nnc2C(C)(C)C)CC1 ZINC001314670119 1070810349 /nfs/dbraw/zinc/81/03/49/1070810349.db2.gz CGWZHMMRSJDTOX-UHFFFAOYSA-N 0 3 496.700 3.654 20 0 JHADHN CN(c1nnc(C(C)(C)C)n1C[C@@H]1CCCCN(Cc2ccccc2)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001314676507 1070820672 /nfs/dbraw/zinc/82/06/72/1070820672.db2.gz IYKHYDZYWXYRJW-FGZHOGPDSA-N 0 3 473.687 3.501 20 0 JHADHN CCN(CC)[C@H](C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)CC1CC(F)(F)C1 ZINC001313656858 1070852502 /nfs/dbraw/zinc/85/25/02/1070852502.db2.gz GXWJWKLTGHWBGQ-MRXNPFEDSA-N 0 3 469.602 3.560 20 0 JHADHN CCN(CC)[C@@H](C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)CC1CC(F)(F)C1 ZINC001313656857 1070852642 /nfs/dbraw/zinc/85/26/42/1070852642.db2.gz GXWJWKLTGHWBGQ-INIZCTEOSA-N 0 3 469.602 3.560 20 0 JHADHN CCN(CC)[C@H](C)Cn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCC[C@H](S(C)(=O)=O)C1 ZINC001313657059 1070853813 /nfs/dbraw/zinc/85/38/13/1070853813.db2.gz IOCJBMPIIRALKS-GGPKGHCWSA-N 0 3 493.743 3.875 20 0 JHADHN CCN(CC)[C@@H](C)Cn1c(-c2cc(C)nc3ccccc32)nnc1N1CCC[C@H](S(C)(=O)=O)C1 ZINC001313658325 1070859177 /nfs/dbraw/zinc/85/91/77/1070859177.db2.gz YXTMMLPMWSXEPM-PMACEKPBSA-N 0 3 484.670 3.545 20 0 JHADHN CN(C)[C@H](Cn1c(-c2ccccc2F)nnc1N(C)CC(C)(C)CN1CCOCC1)c1ccco1 ZINC001314713069 1070899602 /nfs/dbraw/zinc/89/96/02/1070899602.db2.gz CLWKGDPMLLIICU-JOCHJYFZSA-N 0 3 484.620 3.775 20 0 JHADHN CCN(CC)[C@@H](Cn1c(-c2cnccn2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1)c1ccco1 ZINC001313672041 1070901448 /nfs/dbraw/zinc/90/14/48/1070901448.db2.gz MGHICYCNPFAZBK-MJGOQNOKSA-N 0 3 493.534 3.959 20 0 JHADHN CCN(CC)[C@H](Cn1c(C2CC2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1)c1ccco1 ZINC001313672060 1070902694 /nfs/dbraw/zinc/90/26/94/1070902694.db2.gz MHOWNBAHZNSRDU-RTBURBONSA-N 0 3 458.607 3.935 20 0 JHADHN CCN(CC)[C@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCS[C@@H](C)C1)c1ccco1 ZINC001313673119 1070905662 /nfs/dbraw/zinc/90/56/62/1070905662.db2.gz BZKIPOVYALAICA-ZWKOTPCHSA-N 0 3 488.683 3.887 20 0 JHADHN CCN(CC)[C@@H](Cn1c(COc2ccc(C)cc2)nnc1N1CC(=O)N(C)C[C@@H]1C)c1ccsc1 ZINC001313675871 1070918931 /nfs/dbraw/zinc/91/89/31/1070918931.db2.gz SABZOHQPCGULDX-REWPJTCUSA-N 0 3 496.681 3.977 20 0 JHADHN CCN(CC)[C@@H](Cn1c(-c2ccccn2)nnc1N1CCN(C(=O)OCC(C)C)CC1)c1ccco1 ZINC001313674517 1070911870 /nfs/dbraw/zinc/91/18/70/1070911870.db2.gz OGSFRXSRWSOYIL-QFIPXVFZSA-N 0 3 495.628 3.931 20 0 JHADHN CCN(CC)[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCS[C@H](C)[C@@H]1C)c1ccsc1 ZINC001313674877 1070913621 /nfs/dbraw/zinc/91/36/21/1070913621.db2.gz MASCRVYXFAJGNB-NLWGTHIKSA-N 0 3 476.716 3.875 20 0 JHADHN CCN(CC)[C@@H](Cn1c(-c2cnccn2)nnc1N1CC(C)(C)OC(C)(C)C1)c1ccco1 ZINC001313675239 1070915128 /nfs/dbraw/zinc/91/51/28/1070915128.db2.gz YOKRMXHBHLVMTE-IBGZPJMESA-N 0 3 453.591 3.805 20 0 JHADHN CCN(CC)[C@H](Cn1c(C2CC2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1)c1ccco1 ZINC001313675198 1070915149 /nfs/dbraw/zinc/91/51/49/1070915149.db2.gz XWYNCSWDCOQQTA-WOJBJXKFSA-N 0 3 456.635 3.963 20 0 JHADHN CCN(CC)[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1cc(Cl)ccn1)c1ccco1 ZINC001313675221 1070915205 /nfs/dbraw/zinc/91/52/05/1070915205.db2.gz YHQATRVOEBBTEI-RTBURBONSA-N 0 3 471.993 3.590 20 0 JHADHN CCN(CC)[C@@H](Cn1c(CC2CCCC2)nnc1N1CCN(C(=O)OC)CC1)c1ccco1 ZINC001313675538 1070916786 /nfs/dbraw/zinc/91/67/86/1070916786.db2.gz PHOGXHCRKWPKRW-FQEVSTJZSA-N 0 3 458.607 3.575 20 0 JHADHN CCN(CC)[C@@H](Cn1c(Cc2ccccc2F)nnc1N1CC(=O)N(C)C[C@@H]1C)c1ccsc1 ZINC001313675725 1070918077 /nfs/dbraw/zinc/91/80/77/1070918077.db2.gz AVGQGEDIJHEOKJ-AVRDEDQJSA-N 0 3 484.645 3.820 20 0 JHADHN CCN(CC)[C@@H](Cn1c(Cc2cccnc2)nnc1N1C[C@H](OC)C(C)(C)C1)c1ccco1 ZINC001313676902 1070922884 /nfs/dbraw/zinc/92/28/84/1070922884.db2.gz GSNIPSUNKBDPSF-UNMCSNQZSA-N 0 3 452.603 3.801 20 0 JHADHN CN(C)[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(Br)o1)c1cccs1 ZINC001314727045 1070936283 /nfs/dbraw/zinc/93/62/83/1070936283.db2.gz XFYBKFOIBOBMHM-LSDHHAIUSA-N 0 3 493.431 3.586 20 0 JHADHN CCN(CC)c1nnc(-c2csc(N3CCOCC3)n2)n1C[C@H](c1cccc(F)c1)N(C)C ZINC001313690909 1070950119 /nfs/dbraw/zinc/95/01/19/1070950119.db2.gz ZFZBXDAPRCPWPZ-HXUWFJFHSA-N 0 3 473.622 3.526 20 0 JHADHN CN(Cc1ccc(Cl)s1)c1nnc([C@@H]2CCCCO2)n1CCN1CCN(C)C(C)(C)C1 ZINC001314731594 1070950332 /nfs/dbraw/zinc/95/03/32/1070950332.db2.gz OSOCOPRRHNWRTL-SFHVURJKSA-N 0 3 467.083 3.897 20 0 JHADHN CN(Cc1ccc(F)c(F)c1)c1nnc(C(=O)N2CCCC2)n1C[C@H]1N(C)CCCC1(C)C ZINC001314732920 1070954198 /nfs/dbraw/zinc/95/41/98/1070954198.db2.gz LUZDBXDSBLAYEM-HXUWFJFHSA-N 0 3 460.573 3.549 20 0 JHADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccccc3)n2CC2(CC)CCCC2)CC1 ZINC001313700019 1070975855 /nfs/dbraw/zinc/97/58/55/1070975855.db2.gz SKIHMJKWTMEEQY-UHFFFAOYSA-N 0 3 452.647 3.906 20 0 JHADHN CCN(CC)CC(=O)N1CCN(c2nnc(COc3ccc(Cl)cc3Cl)n2[C@@H]2C[C@H]2C)CC1 ZINC001313699410 1070973913 /nfs/dbraw/zinc/97/39/13/1070973913.db2.gz XRBDCINTKXHUEW-VQIMIIECSA-N 0 3 495.455 3.735 20 0 JHADHN CN(Cc1ccccc1)C1(CNS(=O)(=O)c2csc(-c3ccccc3)n2)CCOCC1 ZINC001309839484 1070992043 /nfs/dbraw/zinc/99/20/43/1070992043.db2.gz VNUKGHUVWWOHEQ-UHFFFAOYSA-N 0 3 457.621 3.770 20 0 JHADHN CCN(CC)CC(=O)N1CCN(c2nnc(CC(C)C)n2C[C@H](C)c2ccc(C)cc2)CC1 ZINC001313705262 1070993108 /nfs/dbraw/zinc/99/31/08/1070993108.db2.gz SXNUCOXWRHTBJP-QFIPXVFZSA-N 0 3 454.663 3.579 20 0 JHADHN CN(Cc1ccccc1N1CCOCC1)c1nnc(CC(C)(C)C)n1CCN1CC=CCC1 ZINC001314750965 1071003529 /nfs/dbraw/zinc/00/35/29/1071003529.db2.gz OWHOBTYRWJRIQP-UHFFFAOYSA-N 0 3 452.647 3.602 20 0 JHADHN CC1(C)CCN(S(=O)(=O)c2cc(Br)cc(Br)c2)CC(C)(C)N1 ZINC001309960424 1071029061 /nfs/dbraw/zinc/02/90/61/1071029061.db2.gz OGJLUSROVTZXHN-UHFFFAOYSA-N 0 3 454.228 3.753 20 0 JHADHN CCCN(C)[C@H](CNC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)c1ccc(Cl)cc1 ZINC001309985484 1071039738 /nfs/dbraw/zinc/03/97/38/1071039738.db2.gz ZHILMFBIZSOOBG-HXUWFJFHSA-N 0 3 453.008 3.795 20 0 JHADHN CCN(Cc1ccc(F)cc1)c1nnc(C2CCC2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001313734175 1071053543 /nfs/dbraw/zinc/05/35/43/1071053543.db2.gz MNRGWODJZDXGOV-QFIPXVFZSA-N 0 3 456.610 3.654 20 0 JHADHN CCN1CCN(c2ccc(NC(=O)N[C@H](Cn3ccccc3=O)c3ccccc3)c(C)c2)CC1 ZINC001310019959 1071064703 /nfs/dbraw/zinc/06/47/03/1071064703.db2.gz PFKYQZMLBQPGQR-RUZDIDTESA-N 0 3 459.594 3.862 20 0 JHADHN CCN1CCN(c2ccc(NC(=O)N[C@@H](Cn3ccccc3=O)c3ccccc3)c(C)c2)CC1 ZINC001310019961 1071064552 /nfs/dbraw/zinc/06/45/52/1071064552.db2.gz PFKYQZMLBQPGQR-VWLOTQADSA-N 0 3 459.594 3.862 20 0 JHADHN CCN(C[C@H]1CCCO1)c1nnc([C@@H](C)Oc2ccccc2F)n1CCN1CCN(C)C(C)(C)C1 ZINC001313772206 1071124284 /nfs/dbraw/zinc/12/42/84/1071124284.db2.gz 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CCN1CCCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(OC(C)(C)C)CC1 ZINC001313906846 1071525755 /nfs/dbraw/zinc/52/57/55/1071525755.db2.gz SAJHYRPMPFYSGY-LJQANCHMSA-N 0 3 469.634 3.584 20 0 JHADHN CNC(=O)C1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@H](c2ccsc2)N(C)C)CC1 ZINC001315000946 1071523309 /nfs/dbraw/zinc/52/33/09/1071523309.db2.gz VORJUKQVYAWWAX-HXUWFJFHSA-N 0 3 473.046 3.925 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(-c3cc(Br)cn3C)nnc2N2CCC[C@@H](C)CC2)CC1 ZINC001313919379 1071557086 /nfs/dbraw/zinc/55/70/86/1071557086.db2.gz AKFCNJMGTPOGQG-MOPGFXCFSA-N 0 3 492.510 3.699 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(-c3cccc(Br)c3)nnc2N(C)Cc2ccco2)CC1 ZINC001313920551 1071559595 /nfs/dbraw/zinc/55/95/95/1071559595.db2.gz KSEASMYSMDKVMH-GOSISDBHSA-N 0 3 487.446 3.963 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(C(C)C)nnc2N(C)Cc2cc(Br)cs2)CC1 ZINC001313919830 1071558196 /nfs/dbraw/zinc/55/81/96/1071558196.db2.gz GONNRWHCWNAIFS-INIZCTEOSA-N 0 3 469.497 3.888 20 0 JHADHN CNC(=O)CCN(C)c1nnc(-c2cc(C)nc3ccccc32)n1C[C@H](c1cccs1)N(C)C ZINC001315031094 1071559939 /nfs/dbraw/zinc/55/99/39/1071559939.db2.gz BBIUGYYPDOPHOP-OAQYLSRUSA-N 0 3 477.638 3.738 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c([C@@H](C)Oc3cccc(C)c3C)nnc2N(C)CC2CCOCC2)CC1 ZINC001313921193 1071561254 /nfs/dbraw/zinc/56/12/54/1071561254.db2.gz OYLANOGBFRCLLR-LADGPHEKSA-N 0 3 498.716 3.924 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c([C@@H](C)Oc3cccc(Cl)c3)nnc2N(C)Cc2ccon2)CC1 ZINC001313921577 1071561953 /nfs/dbraw/zinc/56/19/53/1071561953.db2.gz QLFSMQKYNHYGLZ-RBUKOAKNSA-N 0 3 488.036 3.722 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(-c3ccc(C(C)(C)C)cc3)nnc2N2CCSCC2)CC1 ZINC001313922455 1071564445 /nfs/dbraw/zinc/56/44/45/1071564445.db2.gz WPSNGPYZHGRCMY-HXUWFJFHSA-N 0 3 456.704 3.822 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(-c3ccc(C)o3)nnc2N(C)CCc2ccccc2F)CC1 ZINC001313922512 1071564552 /nfs/dbraw/zinc/56/45/52/1071564552.db2.gz WWEINVAHTKVGRZ-IBGZPJMESA-N 0 3 454.594 3.691 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(C(C)C)nnc2N(C)[C@@H](C)c2cccc(N3CCOC3=O)c2)CC1 ZINC001313924074 1071568874 /nfs/dbraw/zinc/56/88/74/1071568874.db2.gz YDTLWZSSYHHSLQ-SFTDATJTSA-N 0 3 483.661 3.582 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(-c3ccc(OC(C)C)c(OC)c3)nnc2N(C)C2CCC2)CC1 ZINC001313924273 1071569469 /nfs/dbraw/zinc/56/94/69/1071569469.db2.gz DBMWOXIZDQZVAT-HXUWFJFHSA-N 0 3 470.662 3.756 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(CCOc3ccccc3)nnc2N(C)C2CCCCC2)CC1 ZINC001313926872 1071578038 /nfs/dbraw/zinc/57/80/38/1071578038.db2.gz HGAPLXIRWKVUKU-QFIPXVFZSA-N 0 3 454.663 3.695 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(COc3cc(C)ccc3C)nnc2N2C[C@@H](C)[C@H](C)C2)CC1 ZINC001313926984 1071578075 /nfs/dbraw/zinc/57/80/75/1071578075.db2.gz GTEVZOBKITXMSR-DNVJHFABSA-N 0 3 454.663 3.592 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(CC(C)C)nnc2N2CCO[C@H](c3ccc(Cl)cc3)C2)CC1 ZINC001313927622 1071580575 /nfs/dbraw/zinc/58/05/75/1071580575.db2.gz KSHJRSMNZIVUJK-OFNKIYASSA-N 0 3 475.081 3.734 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(COc3cc(C)ccc3C(C)C)nnc2N2CCO[C@@H](C)C2)CC1 ZINC001313927802 1071582121 /nfs/dbraw/zinc/58/21/21/1071582121.db2.gz NKQPVTNGAYJNGG-PKTZIBPZSA-N 0 3 484.689 3.540 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(Cc3c[nH]c4ccccc34)nnc2N(C)CCOC(C)(C)C)CC1 ZINC001313929580 1071586654 /nfs/dbraw/zinc/58/66/54/1071586654.db2.gz SMZRASHLULJLRJ-OAQYLSRUSA-N 0 3 481.689 3.628 20 0 JHADHN CCN1CCN([C@H](C)Cn2c([C@@H]3CCCCO3)nnc2N(C)Cc2c(F)cccc2Cl)CC1 ZINC001313931531 1071592546 /nfs/dbraw/zinc/59/25/46/1071592546.db2.gz USXRZRKSGSCHOY-GCJKJVERSA-N 0 3 479.044 3.975 20 0 JHADHN CCN1CCN([C@@H]2CCN(c3nnc(C(C)(C)C)n3Cc3ccc(OC)c(Cl)c3)C2)CC1 ZINC001313943141 1071621935 /nfs/dbraw/zinc/62/19/35/1071621935.db2.gz OXMSLMFTMWEETF-LJQANCHMSA-N 0 3 461.054 3.502 20 0 JHADHN CCN1CCN([C@H]2CCN(c3nnc(-c4ccccc4C)n3C[C@@H](OC)C(C)(C)C)C2)CC1 ZINC001313945689 1071626699 /nfs/dbraw/zinc/62/66/99/1071626699.db2.gz TWHHXBRJSOMZJR-JTHBVZDNSA-N 0 3 454.663 3.531 20 0 JHADHN CCN1CCN([C@@H]2CCN(c3nnc(-c4ccc(Cl)cc4F)n3CCCOC(F)F)C2)CC1 ZINC001313945636 1071626742 /nfs/dbraw/zinc/62/67/42/1071626742.db2.gz RZFWINMKSMFZNA-QGZVFWFLSA-N 0 3 486.970 3.583 20 0 JHADHN CCN1CCN([C@@H]2CCN(c3nnc(-c4ccc(F)cc4Br)n3CC(C)C)C2)CC1 ZINC001313945471 1071626169 /nfs/dbraw/zinc/62/61/69/1071626169.db2.gz POBCCOKCOOENKS-GOSISDBHSA-N 0 3 479.442 3.719 20 0 JHADHN CCN1CCN(C[C@@H](C)Cn2c(N3CCO[C@@H](c4ccc(F)c(F)c4)C3)nnc2C(C)(C)C)CC1 ZINC001313950663 1071639422 /nfs/dbraw/zinc/63/94/22/1071639422.db2.gz BUFKIKOQXBYWTB-AUSIDOKSSA-N 0 3 490.643 3.705 20 0 JHADHN CCN1CCN(C[C@@H](C)Cn2c([C@H]3CCCO3)nnc2N(C)[C@@H](C)c2ccc(F)c(F)c2)CC1 ZINC001313952593 1071646473 /nfs/dbraw/zinc/64/64/73/1071646473.db2.gz RYMQKOYTXYLPEY-SELNLUPBSA-N 0 3 476.616 3.879 20 0 JHADHN CCN1CCN(C[C@@H](C)Cn2c(CCOc3ccccc3)nnc2N2CCCCCC2)CC1 ZINC001313955089 1071654206 /nfs/dbraw/zinc/65/42/06/1071654206.db2.gz FFGXHXSDHRFONG-HSZRJFAPSA-N 0 3 454.663 3.554 20 0 JHADHN CCN1CCN(C[C@@H](C)Cn2c(Cc3ccc(Cl)cc3)nnc2N(C)CC2CC(F)C2)CC1 ZINC001313955453 1071655402 /nfs/dbraw/zinc/65/54/02/1071655402.db2.gz HQIVOTQIJXFYHF-VWRAKTAISA-N 0 3 477.072 3.980 20 0 JHADHN CCN1CCN(C[C@@H](C)Cn2c(Cn3nc(C)cc3C)nnc2N(C)[C@H](C)c2cccs2)CC1 ZINC001313957260 1071659524 /nfs/dbraw/zinc/65/95/24/1071659524.db2.gz QCJIZCJSYSMEKL-DENIHFKCSA-N 0 3 484.718 3.672 20 0 JHADHN CCN1CCN(C[C@@H](C)Cn2c(COc3cc(C)ccc3C(C)C)nnc2N2CCO[C@@H](C)C2)CC1 ZINC001313957911 1071661801 /nfs/dbraw/zinc/66/18/01/1071661801.db2.gz SALCCVMVKCKIPA-RPWUZVMVSA-N 0 3 498.716 3.788 20 0 JHADHN CCN1CCN(C[C@H](C)Cn2c(COc3cccc(C)c3)nnc2N2C[C@@H](C)S[C@@H](C)C2)CC1 ZINC001313958924 1071665054 /nfs/dbraw/zinc/66/50/54/1071665054.db2.gz YVKWRMLIGBOFMX-RJGXRXQPSA-N 0 3 486.730 3.769 20 0 JHADHN CCN1CCN(CCCn2c(COc3ccc(Cl)cc3)nnc2N2CCC[C@@](C)(OC)C2)CC1 ZINC001313960739 1071670514 /nfs/dbraw/zinc/67/05/14/1071670514.db2.gz MCJROZNKYUDGBI-RUZDIDTESA-N 0 3 491.080 3.543 20 0 JHADHN CCN1CCN(CCCn2c(COc3cc(C)ccc3C)nnc2N2C[C@H](C)OC(C)(C)C2)CC1 ZINC001313960777 1071671010 /nfs/dbraw/zinc/67/10/10/1071671010.db2.gz MNENWRRLOYOLLJ-QHCPKHFHSA-N 0 3 484.689 3.505 20 0 JHADHN CCN1CCN(CCCn2c(COc3ccc(F)cc3)nnc2N2CC[C@H](C)[C@@H](C)C2)CC1 ZINC001313961083 1071671592 /nfs/dbraw/zinc/67/15/92/1071671592.db2.gz QBZGGNSBVXGFCI-SFTDATJTSA-N 0 3 458.626 3.506 20 0 JHADHN CCN1CCN(CCCn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2CCC=C(C)C2)CC1 ZINC001313961233 1071672326 /nfs/dbraw/zinc/67/23/26/1071672326.db2.gz RVJSTSLXJGEETJ-OAQYLSRUSA-N 0 3 456.610 3.741 20 0 JHADHN CCNC(=O)C1(Cn2c(-c3cccc(Cl)c3)nnc2N2C[C@H](C)N(CC)C[C@H]2C)CCC1 ZINC001313975341 1071705411 /nfs/dbraw/zinc/70/54/11/1071705411.db2.gz PIMVGFXIMPFKGC-ZWKOTPCHSA-N 0 3 459.038 3.824 20 0 JHADHN CCNC(=O)c1ccc(Cn2c(Cc3ccsc3)nnc2N2C[C@H](C)N(CC)C[C@H]2C)cc1 ZINC001313981649 1071718026 /nfs/dbraw/zinc/71/80/26/1071718026.db2.gz HCICAAOTBYQSAX-RBUKOAKNSA-N 0 3 466.655 3.647 20 0 JHADHN CCOC(=O)N(C)C1CCN(c2nnc(C(C)C)n2C[C@@H](C)N2CCc3ccccc3C2)CC1 ZINC001314008454 1071744821 /nfs/dbraw/zinc/74/48/21/1071744821.db2.gz MQQZSNKMYLOKTL-HXUWFJFHSA-N 0 3 468.646 3.905 20 0 JHADHN CCOC(=O)N1CCN(c2nnc(Cc3ccccc3F)n2C[C@H](c2cccs2)N(C)C)CC1 ZINC001314024654 1071783426 /nfs/dbraw/zinc/78/34/26/1071783426.db2.gz HLYNTMUXQWGXCG-HXUWFJFHSA-N 0 3 486.617 3.651 20 0 JHADHN CCOC(C)(C)Cn1c(-c2ccc(CC)cc2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 ZINC001314049232 1071870185 /nfs/dbraw/zinc/87/01/85/1071870185.db2.gz ZFMDBWGTMONQOW-SQJMNOBHSA-N 0 3 496.700 3.702 20 0 JHADHN CCO[C@]1(c2nnc(N(C)CC3CC(F)C3)n2C[C@@H](c2ccc(F)cc2)N(C)C)CCOC1 ZINC001314087681 1071961362 /nfs/dbraw/zinc/96/13/62/1071961362.db2.gz YKNGVLUXJNCQDY-LIWSMLBDSA-N 0 3 463.573 3.557 20 0 JHADHN CCO[C@@]1(c2nnc(N(C)CCC(F)(F)F)n2CC2(N3CCSCC3)CCCC2)CCOC1 ZINC001314089812 1071966656 /nfs/dbraw/zinc/96/66/56/1071966656.db2.gz LIUBJWUGRKTSOK-NRFANRHFSA-N 0 3 491.624 3.680 20 0 JHADHN CCO[C@]1(c2nnc(N3C[C@H](C)C[C@@H](C)C3)n2C[C@H](c2cccc(OC)c2)N(C)C)CCOC1 ZINC001314092377 1071969796 /nfs/dbraw/zinc/96/97/96/1071969796.db2.gz CBNBIIFZIVAQQL-RFEOYDEGSA-N 0 3 471.646 3.724 20 0 JHADHN CCO[C@]1(c2nnc(N3C[C@H](C)N(CC)C[C@@H]3C)n2C[C@@H](SC)C(C)(C)C)CCOC1 ZINC001314095350 1071974728 /nfs/dbraw/zinc/97/47/28/1071974728.db2.gz NMKDCWVWVMHRIT-PABYOWBDSA-N 0 3 453.697 3.627 20 0 JHADHN CCO[C@]1(c2nnc(N3CCN(C(C)(C)C)CC3)n2Cc2c(C)cc(C)cc2C)CCOC1 ZINC001314135223 1072047780 /nfs/dbraw/zinc/04/77/80/1072047780.db2.gz MQRBOGHDFWIUBM-AREMUKBSSA-N 0 3 455.647 3.824 20 0 JHADHN CCO[C@]1(c2nnc(N3CCN(CCC(C)(C)C)CC3)n2Cc2ccc(C)cc2)CCOC1 ZINC001314133963 1072045776 /nfs/dbraw/zinc/04/57/76/1072045776.db2.gz DMJMKDFELWYWHJ-AREMUKBSSA-N 0 3 455.647 3.845 20 0 JHADHN CCO[C@@]1(c2nnc(N3CCSC(CC)(CC)C3)n2CCN2CCCCC2)CCOC1 ZINC001314144325 1072060513 /nfs/dbraw/zinc/06/05/13/1072060513.db2.gz NHUZKLWQZXLLMQ-QHCPKHFHSA-N 0 3 451.681 3.528 20 0 JHADHN CCc1ccc(-c2nnc(N3CC(=O)N(C)[C@@H](C)C3)n2C[C@@H](c2ccco2)N(CC)CC)cc1 ZINC001305926660 1068223519 /nfs/dbraw/zinc/22/35/19/1068223519.db2.gz KEKFCWHTOFUJIC-UGKGYDQZSA-N 0 3 464.614 3.851 20 0 JHADHN CCc1ccc(-c2nnc(N3CCN(CC(C)C)CC3)n2CCCOC2CCOCC2)cc1 ZINC001305947718 1068266370 /nfs/dbraw/zinc/26/63/70/1068266370.db2.gz JMBAFTXBHMOWJG-UHFFFAOYSA-N 0 3 455.647 3.871 20 0 JHADHN CCc1ccc(-c2nnc(N3CCN(CCOC)[C@H](CC)C3)n2Cc2cnccc2OC)cc1 ZINC001305951967 1068276210 /nfs/dbraw/zinc/27/62/10/1068276210.db2.gz ZSWMKOYOKYKSBB-HSZRJFAPSA-N 0 3 464.614 3.506 20 0 JHADHN CCc1ccc(Cn2c(CNC(=O)c3cccs3)nnc2N2C[C@@H](C)N(CC)C[C@@H]2C)s1 ZINC001305967541 1068301693 /nfs/dbraw/zinc/30/16/93/1068301693.db2.gz MBTGATJJIQLVMU-SJORKVTESA-N 0 3 472.684 3.861 20 0 JHADHN CCc1cccc2c(CCn3c(C(=O)NC(C)C)nnc3N3C[C@@H](C)N(CC)C[C@@H]3C)c[nH]c21 ZINC001305968078 1068303191 /nfs/dbraw/zinc/30/31/91/1068303191.db2.gz YTYBKTVMVCDYKK-MOPGFXCFSA-N 0 3 465.646 3.622 20 0 JHADHN CCc1ccccc1OCc1nnc(N2CC[C@H](C)[C@@H]2C)n1CCCN1CCN(CC)CC1 ZINC001305982734 1068328729 /nfs/dbraw/zinc/32/87/29/1068328729.db2.gz UXXGZQWSSZTPLH-VXKWHMMOSA-N 0 3 454.663 3.682 20 0 JHADHN CCc1nn(C)c(CC)c1Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(C2CCCCC2)CC1 ZINC001306046959 1068469307 /nfs/dbraw/zinc/46/93/07/1068469307.db2.gz UEHDDRNIZHMUIR-UHFFFAOYSA-N 0 3 498.720 3.558 20 0 JHADHN CCc1nnc(N(C)Cc2cnc(C(C)C)nc2)n1C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC001306080820 1068511507 /nfs/dbraw/zinc/51/15/07/1068511507.db2.gz BPRPGUALBVLJAS-QHCPKHFHSA-N 0 3 463.630 3.681 20 0 JHADHN CCc1nnc(N2CCN(c3nc(C)c(C)s3)CC2)n1C[C@@H](c1ccco1)N(CC)CC ZINC001306197623 1068589898 /nfs/dbraw/zinc/58/98/98/1068589898.db2.gz QAEXAFVMTXMQEO-IBGZPJMESA-N 0 3 457.648 3.917 20 0 JHADHN CCc1nnc(N2CCN(CC(=O)Nc3c(C)cccc3C)CC2)n1C[C@@H](c1cccs1)N(C)C ZINC001306203622 1068593772 /nfs/dbraw/zinc/59/37/72/1068593772.db2.gz FMYYKWHETQGLNK-NRFANRHFSA-N 0 3 495.697 3.582 20 0 JHADHN CCc1nnc(N2CCO[C@H](c3cnn(CC)c3)C2)n1C[C@@H](c1ccsc1)N(CC)CC ZINC001306219076 1068606660 /nfs/dbraw/zinc/60/66/60/1068606660.db2.gz NMQIAZAWQDLYHR-SFTDATJTSA-N 0 3 457.648 3.779 20 0 JHADHN CC[C@@H]1CCC[C@H]1Cn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 ZINC001306310602 1068728944 /nfs/dbraw/zinc/72/89/44/1068728944.db2.gz FURQEWZWPDSORP-RTWAWAEBSA-N 0 3 456.635 3.663 20 0 JHADHN CC[C@@H]1CCCCN1CCn1c(-c2ccccc2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 ZINC001306318339 1068741314 /nfs/dbraw/zinc/74/13/14/1068741314.db2.gz FVLFWGXAAYDWNZ-FGZHOGPDSA-N 0 3 459.660 3.613 20 0 JHADHN CC[C@@H]1CCCCN1CCn1c(-c2ccccc2Cl)nnc1N1CCC(S(C)(=O)=O)CC1 ZINC001306319383 1068745481 /nfs/dbraw/zinc/74/54/81/1068745481.db2.gz LABZXAKFTRARMT-GOSISDBHSA-N 0 3 480.078 3.876 20 0 JHADHN CC[C@H]1CCCCN1CCn1c(-c2c[nH]c3ccccc23)nnc1N(C)CCS(=O)(=O)CC ZINC001306322304 1068752915 /nfs/dbraw/zinc/75/29/15/1068752915.db2.gz JGPUPJKMGUXFIF-IBGZPJMESA-N 0 3 472.659 3.562 20 0 JHADHN CC[C@@H]1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCCN2CCN(CC)CC2)C1 ZINC001306381134 1068812425 /nfs/dbraw/zinc/81/24/25/1068812425.db2.gz CDJYLWSBQMNNQX-HSZRJFAPSA-N 0 3 454.663 3.738 20 0 JHADHN CC[C@@H]1CN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCN2CCN(C)C(C)(C)C2)C[C@@H](C)O1 ZINC001306397261 1068847468 /nfs/dbraw/zinc/84/74/68/1068847468.db2.gz YPWMFOTVZZLSBI-NJDAHSKKSA-N 0 3 488.652 3.587 20 0 JHADHN CC[C@@H]1CN(c2nnc(Cc3ccccn3)n2C[C@@H](c2ccco2)N(CC)CC)C[C@@H](C)O1 ZINC001306442398 1068951523 /nfs/dbraw/zinc/95/15/23/1068951523.db2.gz VBEMGXYQCONQGE-FCEUIQTBSA-N 0 3 452.603 3.944 20 0 JHADHN CC/C=C/Cn1c(-c2cc(C)nc3ccccc32)nnc1N1CCN(C(=O)CN(CC)CC)CC1 ZINC001306467395 1069007682 /nfs/dbraw/zinc/00/76/82/1069007682.db2.gz VUPKELPOTPGDGF-DHZHZOJOSA-N 0 3 475.641 3.758 20 0 JHADHN CC/C=C\Cn1c(-c2ccc(CC)cc2)nnc1N1C[C@H](N2CCCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001306469205 1069011512 /nfs/dbraw/zinc/01/15/12/1069011512.db2.gz XIYKLAOQWDWTEO-UDENOZGOSA-N 0 3 464.658 3.853 20 0 JHADHN CC/C=C\Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001306469342 1069012079 /nfs/dbraw/zinc/01/20/79/1069012079.db2.gz BFHBMGKGORYHCU-SREVYHEPSA-N 0 3 469.630 3.867 20 0 JHADHN CC/C=C/Cn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC001306482533 1069021959 /nfs/dbraw/zinc/02/19/59/1069021959.db2.gz ARYDMKDCGPKTGG-DGQXCUQSSA-N 0 3 466.674 3.643 20 0 JHADHN CC/C=C/Cn1c(COc2ccc(OC)cc2)nnc1N1CCN(C2CCOCC2)C[C@H]1C ZINC001306491969 1069031179 /nfs/dbraw/zinc/03/11/79/1069031179.db2.gz ZBORUJBCKWBQOU-RRFGBZISSA-N 0 3 455.603 3.521 20 0 JHADHN CC[C@@H](CNC(=O)Nc1ccc2c(c1)CCC(=O)N2CCOC)N1CCc2ccccc2C1 ZINC001310606439 1069048825 /nfs/dbraw/zinc/04/88/25/1069048825.db2.gz UBDXYUNGWMGKEE-QHCPKHFHSA-N 0 3 450.583 3.571 20 0 JHADHN COC(=O)c1cccc(NC(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)c1OC(C)C ZINC001310622793 1069064652 /nfs/dbraw/zinc/06/46/52/1069064652.db2.gz CDSDUFOKLJYILA-FQEVSTJZSA-N 0 3 455.555 3.673 20 0 JHADHN CN(C)CCN(C[C@@H]1CCCO1)C(=O)Nc1ccc(-c2ccc(Br)s2)nn1 ZINC001310683753 1069108318 /nfs/dbraw/zinc/10/83/18/1069108318.db2.gz KEFJFIWGNCMRFN-ZDUSSCGKSA-N 0 3 454.394 3.542 20 0 JHADHN CN1CCC(Oc2ccc(Cl)cc2NC(=O)N[C@@H]2CCN(Cc3ccccc3)C2=O)CC1 ZINC001310745046 1069147555 /nfs/dbraw/zinc/14/75/55/1069147555.db2.gz DTJZJKATIVZSJJ-HXUWFJFHSA-N 0 3 456.974 3.736 20 0 JHADHN CCC[C@](C)(O)Cn1c([C@H](CC)c2ccccc2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 ZINC001306526396 1069155209 /nfs/dbraw/zinc/15/52/09/1069155209.db2.gz JUHKWUMYHDQVHJ-OASJLCFRSA-N 0 3 468.690 3.587 20 0 JHADHN CCC[C@H](C)CN(C)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC001306556563 1069224945 /nfs/dbraw/zinc/22/49/45/1069224945.db2.gz TWKXTXIZQRUPDV-LADGPHEKSA-N 0 3 482.673 3.678 20 0 JHADHN CCC[C@@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H](c1ccsc1)N(C)C ZINC001306572370 1069239486 /nfs/dbraw/zinc/23/94/86/1069239486.db2.gz BVUMTSBQEPDRNW-UTKZUKDTSA-N 0 3 465.631 3.910 20 0 JHADHN CCC[C@@H](C)N(C)c1nnc([C@@H]2CCCOC2)n1Cc1ccccc1CN1CCC(O)CC1 ZINC001306580695 1069245684 /nfs/dbraw/zinc/24/56/84/1069245684.db2.gz LTVFABXUAMYMAY-NFBKMPQASA-N 0 3 455.647 3.802 20 0 JHADHN CCCC(O)(CCC)Cn1c(-c2ccc(OC)cc2)nnc1N1CCN(C2CCOCC2)CC1 ZINC001306595495 1069268854 /nfs/dbraw/zinc/26/88/54/1069268854.db2.gz WJZZCXYVOLVYHJ-UHFFFAOYSA-N 0 3 471.646 3.586 20 0 JHADHN CCC[C@@H]1CN(c2nnc(C)n2CCc2ccc(OC)c(Br)c2)CCN1CCOC ZINC001306619161 1069303163 /nfs/dbraw/zinc/30/31/63/1069303163.db2.gz YBBRJJKSDIYNSR-LJQANCHMSA-N 0 3 480.451 3.537 20 0 JHADHN CCC[C@@H]1CN(c2nnc(-c3cccc(Br)c3)n2CCC(C)(C)O)CCN1CCOC ZINC001306619791 1069305260 /nfs/dbraw/zinc/30/52/60/1069305260.db2.gz ZRPBLMNZLGJQRS-HXUWFJFHSA-N 0 3 494.478 3.806 20 0 JHADHN CCC[C@H]1CN(c2nnc(-c3cccnc3)n2CCc2sc(C)nc2C)CCN1CCOC ZINC001306620134 1069305984 /nfs/dbraw/zinc/30/59/84/1069305984.db2.gz FBLNBDPKCUOWJP-NRFANRHFSA-N 0 3 469.659 3.593 20 0 JHADHN CCC[C@@H]1CN(c2nnc(-c3cccnc3)n2C[C@](C)(O)c2ccccc2Cl)CCN1CCOC ZINC001306620423 1069306933 /nfs/dbraw/zinc/30/69/33/1069306933.db2.gz GMTYMGSUIDSKMF-RLWLMLJZSA-N 0 3 499.059 3.838 20 0 JHADHN O=C1OC2(CCN(Cc3ccccc3)CC2)c2cnc(Cl)c(N3C[C@H]4OCC(F)(F)[C@H]4C3)c21 ZINC001164426283 718927238 /nfs/dbraw/zinc/92/72/38/718927238.db2.gz ZCYTWPMTXYYWKN-ZWKOTPCHSA-N 0 3 475.923 3.867 20 0 JHADHN COc1cccc(NC(=O)c2nc3c(s2)CCN(c2ccc(CN(C)C4CC4)cn2)CC3)c1 ZINC001164709245 720089114 /nfs/dbraw/zinc/08/91/14/720089114.db2.gz CMHLHNXVKWEYOH-UHFFFAOYSA-N 0 3 463.607 3.998 20 0 JHADHN Cc1ccc2nc(-c3ccccc3F)nc(N3CCN4C[C@@H](Oc5cncnc5)C[C@@H]4C3)c2c1 ZINC001164742619 720719822 /nfs/dbraw/zinc/71/98/22/720719822.db2.gz WDIUVOQZWCZSQX-MOPGFXCFSA-N 0 3 456.525 3.876 20 0 JHADHN CC(C)CN1[C@@H]2CCN(c3ccc(CN4CCCC4)cn3)CC[C@H]2Oc2ccccc2S1(=O)=O ZINC001164759013 720972469 /nfs/dbraw/zinc/97/24/69/720972469.db2.gz YLCUGPCFELLGQV-DHIUTWEWSA-N 0 3 484.666 3.754 20 0 JHADHN Clc1nc2c(c(N3CCN4C[C@@H](OCc5cccnc5)C[C@H]4C3)n1)CN(Cc1ccccc1)C2 ZINC001164870863 721068492 /nfs/dbraw/zinc/06/84/92/721068492.db2.gz WXIGCQPWCFECLG-VXKWHMMOSA-N 0 3 477.012 3.521 20 0 JHADHN Clc1nc2c(c(N3CCN4C[C@@H](OCc5cccnc5)C[C@@H]4C3)n1)CN(Cc1ccccc1)C2 ZINC001164870865 721069055 /nfs/dbraw/zinc/06/90/55/721069055.db2.gz WXIGCQPWCFECLG-YADHBBJMSA-N 0 3 477.012 3.521 20 0 JHADHN c1csc(-c2noc(-c3ccnc(N4CCN5C[C@H](OCc6cccnc6)C[C@H]5C4)c3)n2)c1 ZINC001164881201 721167149 /nfs/dbraw/zinc/16/71/49/721167149.db2.gz ZUPQVORAJKDBGA-VQTJNVASSA-N 0 3 460.563 3.735 20 0 JHADHN CN1CCN(C[C@H]2CCC[C@@]3(CCN(c4ncnc5[nH]c6ccc(Cl)cc6c54)C3)O2)CC1 ZINC001164895389 721430255 /nfs/dbraw/zinc/43/02/55/721430255.db2.gz OHCZLRAASCWGBW-KOSHJBKYSA-N 0 3 455.006 3.530 20 0 JHADHN Cc1c(C)n(Cc2ccccc2)c2ncnc(N3CC[C@@]4(C3)CCC[C@H](CN3CCN(C)CC3)O4)c12 ZINC001164899490 721435026 /nfs/dbraw/zinc/43/50/26/721435026.db2.gz YNOWILUDGJNVBB-VAVYLYDRSA-N 0 3 488.680 3.862 20 0 JHADHN COC(=O)/C=C\c1ccc(NC(=O)C(C)(C)C)c(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164905198 721546467 /nfs/dbraw/zinc/54/64/67/721546467.db2.gz GKSPFKHATMTHGZ-SZIHUUSQSA-N 0 3 496.583 3.733 20 0 JHADHN COc1ccc(Cn2cc3[nH]c(N4CCN5C[C@H](Oc6cccc(F)c6)C[C@H]5C4)ccc-3c2=O)cc1 ZINC001164911354 721550970 /nfs/dbraw/zinc/55/09/70/721550970.db2.gz YYSQWTSPEOPHFF-XUZZJYLKSA-N 0 3 488.563 3.727 20 0 JHADHN COC(=O)c1cc2c(nc(Cl)nc2N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)[nH]1 ZINC001164907742 721712125 /nfs/dbraw/zinc/71/21/25/721712125.db2.gz SZTLZLOGNRTZQP-NRFANRHFSA-N 0 3 476.915 3.531 20 0 JHADHN Clc1ccc(CN2CCCC2)c(N2CCC3(CC2)COCCN(Cc2ccncc2)C3)n1 ZINC001164964624 722057266 /nfs/dbraw/zinc/05/72/66/722057266.db2.gz WCNDHTFLQAFEGY-UHFFFAOYSA-N 0 3 456.034 3.845 20 0 JHADHN Cc1nc(C(F)(F)N2CCC3(CC2)COCCN(Cc2ccncc2)C3)nc(Cl)c1C ZINC001164964845 722057868 /nfs/dbraw/zinc/05/78/68/722057868.db2.gz YOPYYNMQDCMAJX-UHFFFAOYSA-N 0 3 451.949 3.806 20 0 JHADHN COC(=O)c1cnc(Cl)c(C(F)(F)N2CCC3(CC2)COCCN(Cc2ccncc2)C3)c1 ZINC001164961601 722058848 /nfs/dbraw/zinc/05/88/48/722058848.db2.gz MPPIRBAVXAHPCY-UHFFFAOYSA-N 0 3 480.943 3.581 20 0 JHADHN CC(C)(C)OC(=O)Nc1cnc(N2CCC3(CC2)COCCN(Cc2ccncc2)C3)c2[nH]cnc21 ZINC001164963298 722059105 /nfs/dbraw/zinc/05/91/05/722059105.db2.gz WAFZTKYOVULBID-UHFFFAOYSA-N 0 3 493.612 3.819 20 0 JHADHN COc1ccc(CN(C)c2ccnc(N3CCC4(CC3)COCCN(Cc3ccncc3)C4)n2)cc1 ZINC001164962482 722061621 /nfs/dbraw/zinc/06/16/21/722061621.db2.gz SIVWYAFMBBAADN-UHFFFAOYSA-N 0 3 488.636 3.636 20 0 JHADHN CSc1nc(Cl)cc(C(F)(F)N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164979937 722102611 /nfs/dbraw/zinc/10/26/11/722102611.db2.gz IJSUMTPQKVRXPO-HZPDHXFCSA-N 0 3 455.962 3.519 20 0 JHADHN O=C(NCc1ccccc1)c1cc(Cl)nc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164986459 722105966 /nfs/dbraw/zinc/10/59/66/722105966.db2.gz ZBAIBAZEHWVAKY-VWNXMTODSA-N 0 3 492.023 3.787 20 0 JHADHN Clc1nc2c(c(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)n1)CN(Cc1ccccc1)C2 ZINC001164982348 722108213 /nfs/dbraw/zinc/10/82/13/722108213.db2.gz NRXCEDHYQXXQIS-DHLKQENFSA-N 0 3 491.039 3.768 20 0 JHADHN CCOc1cc2ncnc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)c2cc1OCC ZINC001164971394 722118527 /nfs/dbraw/zinc/11/85/27/722118527.db2.gz BXEQICGCQAWMRO-CJFMBICVSA-N 0 3 463.582 3.550 20 0 JHADHN COC(=O)c1ccc(-c2ccc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)nc2C)cc1 ZINC001164983835 722136842 /nfs/dbraw/zinc/13/68/42/722136842.db2.gz VNWZQXIDDQGTCV-AHWVRZQESA-N 0 3 472.589 3.966 20 0 JHADHN CCOC(=O)c1ccc(C(F)(F)N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c(Cl)n1 ZINC001164982656 722137288 /nfs/dbraw/zinc/13/72/88/722137288.db2.gz RWLRJZZFGINIAE-FXAWDEMLSA-N 0 3 480.943 3.579 20 0 JHADHN CCOC(=O)c1sc2nc(C)nc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)c2c1C ZINC001164976019 722139478 /nfs/dbraw/zinc/13/94/78/722139478.db2.gz GIGYJTKXSGVWDN-WOJBJXKFSA-N 0 3 481.622 3.607 20 0 JHADHN FC(F)(c1cccc2c(Cl)ncnc21)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164975169 722144889 /nfs/dbraw/zinc/14/48/89/722144889.db2.gz FAAJJLSSJVNVLL-YLJYHZDGSA-N 0 3 459.928 3.950 20 0 JHADHN FC(F)(c1cc(Cl)nc(-c2ccccn2)n1)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164977022 722146603 /nfs/dbraw/zinc/14/66/03/722146603.db2.gz HOAWNZITAHUMGR-QUCCMNQESA-N 0 3 486.954 3.859 20 0 JHADHN Cc1cc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)nc(-c2ccc(Cl)nc2)n1 ZINC001164974042 722151959 /nfs/dbraw/zinc/15/19/59/722151959.db2.gz OFBIINIEXPORLD-NHCUHLMSSA-N 0 3 450.974 3.623 20 0 JHADHN FC(F)(Oc1ccc(Cl)nc1Cl)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164972241 722154149 /nfs/dbraw/zinc/15/41/49/722154149.db2.gz HNNXDBHQVXCLPJ-DOTOQJQBSA-N 0 3 459.324 3.935 20 0 JHADHN CCC[C@@H]1CN(c2nnc(-c3ccc[nH]3)n2C[C@H](C)c2nc(C)cs2)CCN1CCOC ZINC001306622565 1069312499 /nfs/dbraw/zinc/31/24/99/1069312499.db2.gz ZZYKRJQFGFUHLB-PKOBYXMFSA-N 0 3 457.648 3.779 20 0 JHADHN COc1ccc([C@H](CNC(=O)N[C@@H](CO)c2ccccc2C(F)(F)F)N2CCCC2)cc1 ZINC001311346525 1069333090 /nfs/dbraw/zinc/33/30/90/1069333090.db2.gz QCHYRVQQXASQOB-SFTDATJTSA-N 0 3 451.489 3.884 20 0 JHADHN CCC[C@@H]1CN(c2nnc(-c3ccccc3F)n2C[C@H]2CCC[C@H]2OC)CCN1CCOC ZINC001306639863 1069350810 /nfs/dbraw/zinc/35/08/10/1069350810.db2.gz CZNJWTLDSFSJOL-TXTKFYIRSA-N 0 3 459.610 3.836 20 0 JHADHN CCC[C@@H]1CN(c2nnc(-c3ccccc3F)n2Cc2ncccc2C)CCN1CCOC ZINC001306638545 1069348506 /nfs/dbraw/zinc/34/85/06/1069348506.db2.gz AHRYJIWGBZLBHC-HXUWFJFHSA-N 0 3 452.578 3.773 20 0 JHADHN CCCCCn1c(-c2sc(N3CCOCC3)nc2C)nnc1N1CCN(CC(C)C)CC1 ZINC001306640741 1069351215 /nfs/dbraw/zinc/35/12/15/1069351215.db2.gz HVPABNFCVJJPMD-UHFFFAOYSA-N 0 3 461.680 3.515 20 0 JHADHN Cc1cccc(N2CCN(CCCCNC(=O)NC[C@]3(C)OCCc4sccc43)CC2)c1 ZINC001311379601 1069352866 /nfs/dbraw/zinc/35/28/66/1069352866.db2.gz DIYYHCFCRCJQPF-VWLOTQADSA-N 0 3 456.656 3.746 20 0 JHADHN Cc1cccc(N2CCN(CCCCNC(=O)NCc3ccc(OC(C)(C)C)nc3)CC2)c1 ZINC001311380634 1069354094 /nfs/dbraw/zinc/35/40/94/1069354094.db2.gz MHKNGGDOIPJVOZ-UHFFFAOYSA-N 0 3 453.631 3.969 20 0 JHADHN CCC[C@H]1CN(c2nnc(-c3ccccc3C)n2CCn2cc(Cl)cn2)CCN1CCOC ZINC001306647410 1069359142 /nfs/dbraw/zinc/35/91/42/1069359142.db2.gz OZKNLFZWPNRDKV-NRFANRHFSA-N 0 3 472.037 3.741 20 0 JHADHN CCN(CC)[C@@H](CNC(=O)N1CC(O)(c2ccc(Br)cc2)C1)c1ccsc1 ZINC001311394134 1069359845 /nfs/dbraw/zinc/35/98/45/1069359845.db2.gz HNDGSYPJRUYACH-SFHVURJKSA-N 0 3 452.418 3.807 20 0 JHADHN CCC[C@@H]1CN(c2nnc(-c3ccccc3Cl)n2CC(C)(C)OC)CCN1CCOC ZINC001306649563 1069361427 /nfs/dbraw/zinc/36/14/27/1069361427.db2.gz VKVJVQCGGIQKNJ-GOSISDBHSA-N 0 3 450.027 3.961 20 0 JHADHN O=C(NCCCN1CCN(Cc2ccccc2)CC1)N[C@@H](c1ccccc1)C1CCOCC1 ZINC001311424979 1069373264 /nfs/dbraw/zinc/37/32/64/1069373264.db2.gz VJOVMSDNOWRJPK-SANMLTNESA-N 0 3 450.627 3.661 20 0 JHADHN COc1ccc(C[C@H](C)CN(C)C(=O)NCCCN2CCN(C)C[C@H]2c2ccccc2)cc1 ZINC001311424176 1069372453 /nfs/dbraw/zinc/37/24/53/1069372453.db2.gz PYMDNIIPXUPSES-NVQXNPDNSA-N 0 3 452.643 3.894 20 0 JHADHN CN(C(=O)NCc1ccc(CN2CCN(C)CC2)cc1)[C@@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC001311496416 1069406261 /nfs/dbraw/zinc/40/62/61/1069406261.db2.gz MYVGHIAOKJREBF-JWQCQUIFSA-N 0 3 450.627 3.822 20 0 JHADHN CC1CCN([C@H](CNC(=O)NCc2ccc(CN3CCNC3=O)cc2)c2cccs2)CC1 ZINC001311568040 1069441334 /nfs/dbraw/zinc/44/13/34/1069441334.db2.gz AESCBGRGOGHUTN-OAQYLSRUSA-N 0 3 455.628 3.546 20 0 JHADHN CC[C@H](NC(=O)NC[C@@H](c1cccs1)N1CCCC1)[C@@H]1CN(Cc2ccccc2)CCO1 ZINC001311577246 1069446332 /nfs/dbraw/zinc/44/63/32/1069446332.db2.gz SEJWNHNBOFFOBA-VABKMULXSA-N 0 3 456.656 3.864 20 0 JHADHN CN(C)[C@@H](CNC(=O)NCc1ccn(-c2ccc(Br)cc2)n1)Cc1ccccc1 ZINC001311571297 1069443323 /nfs/dbraw/zinc/44/33/23/1069443323.db2.gz KEJGQKZXSFKTNT-OAQYLSRUSA-N 0 3 456.388 3.607 20 0 JHADHN CCCCn1cc(Cn2c(N3C[C@H](C)N(CC)C[C@@H]3C)nnc2[C@]2(OC(C)C)CCOC2)c(C)n1 ZINC001306721059 1069456726 /nfs/dbraw/zinc/45/67/26/1069456726.db2.gz PGOLFLVMDFDGIZ-WOVHNISZSA-N 0 3 487.693 3.591 20 0 JHADHN CCCCn1cc(Cn2c(N3C[C@H](C)N(CC)C[C@H]3C)nnc2[C@]2(OC(C)C)CCOC2)c(C)n1 ZINC001306721058 1069456730 /nfs/dbraw/zinc/45/67/30/1069456730.db2.gz PGOLFLVMDFDGIZ-UZINWLIJSA-N 0 3 487.693 3.591 20 0 JHADHN CCCCN1CCCC[C@@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 ZINC001306721830 1069458961 /nfs/dbraw/zinc/45/89/61/1069458961.db2.gz FMKSLOJXAKFGAH-WOJBJXKFSA-N 0 3 495.093 3.662 20 0 JHADHN O=C(NCCCCN1CCN(Cc2ccccc2)CC1)NCc1c(F)cc(F)c(F)c1F ZINC001311629356 1069478262 /nfs/dbraw/zinc/47/82/62/1069478262.db2.gz BNPXUHJESFAWKV-UHFFFAOYSA-N 0 3 452.496 3.640 20 0 JHADHN COc1cccc([C@@H](O)C2CCN(C(=O)NCC(C)(C)N3CCc4ccccc4C3)CC2)c1 ZINC001311720107 1069519078 /nfs/dbraw/zinc/51/90/78/1069519078.db2.gz MPGKIYUKJYZIAJ-VWLOTQADSA-N 0 3 451.611 3.987 20 0 JHADHN CCCCNC(=O)C1CCN(c2nnc(-c3ccccc3C)n2CCN2CC=CCC2)CC1 ZINC001306745623 1069529129 /nfs/dbraw/zinc/52/91/29/1069529129.db2.gz UNJBTQGICGBMJM-UHFFFAOYSA-N 0 3 450.631 3.648 20 0 JHADHN CCCCOCCn1c(-c2nn(C(C)C)c(=O)c3ccccc32)nnc1N1C[C@H](C)N(CC)C[C@H]1C ZINC001306759019 1069557907 /nfs/dbraw/zinc/55/79/07/1069557907.db2.gz QEYXHXJKMFVKNQ-LEWJYISDSA-N 0 3 495.672 3.972 20 0 JHADHN C[C@H](CN(C)Cc1ccccc1)NC(=O)NCCc1ccc(I)s1 ZINC001311830520 1069567939 /nfs/dbraw/zinc/56/79/39/1069567939.db2.gz CRFSFZSADJDPCF-CQSZACIVSA-N 0 3 457.381 3.715 20 0 JHADHN COc1ccc(Cl)cc1N1CC[C@H](NC(=O)NCC2CCN(Cc3ccncc3)CC2)C1 ZINC001311850640 1069579354 /nfs/dbraw/zinc/57/93/54/1069579354.db2.gz MZOMMDZIYAEIKP-NRFANRHFSA-N 0 3 458.006 3.534 20 0 JHADHN CCOc1c(Cl)cc(Cn2c(C(C)C)nnc2N2CC[C@@H](N3CCN(CC)CC3)C2)cc1OC ZINC001314150952 1069611270 /nfs/dbraw/zinc/61/12/70/1069611270.db2.gz AYSVLOXMRPQQNF-HXUWFJFHSA-N 0 3 491.080 3.727 20 0 JHADHN CCOc1cc(C)ccc1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CCC(C)(C)C)CC1 ZINC001314155068 1069624770 /nfs/dbraw/zinc/62/47/70/1069624770.db2.gz BBJKIAPFPUALIT-NRFANRHFSA-N 0 3 468.646 3.543 20 0 JHADHN CCCN(CC1CC1)c1nnc(-c2cc(Br)cn2C)n1CCN1CCN(C)C(C)(C)C1 ZINC001306811340 1069631235 /nfs/dbraw/zinc/63/12/35/1069631235.db2.gz KRCGGDFLWZXACD-UHFFFAOYSA-N 0 3 492.510 3.699 20 0 JHADHN CCOc1cc(Cn2c(CC(C)C)nnc2N2CCN(C3CCOCC3)C[C@@H]2C)ccc1OC ZINC001314163662 1069656488 /nfs/dbraw/zinc/65/64/88/1069656488.db2.gz GECKKLDDXYNPHZ-FQEVSTJZSA-N 0 3 471.646 3.622 20 0 JHADHN CN(C)CCN(CCc1ccccc1)C(=O)N[C@H]1CCN(c2ccccc2Br)C1 ZINC001312017731 1069673540 /nfs/dbraw/zinc/67/35/40/1069673540.db2.gz LQADMFZIFKGEAJ-FQEVSTJZSA-N 0 3 459.432 3.844 20 0 JHADHN CCOc1ccc(-c2nnc(N3CC[C@H](C(C)C)C3)n2C[C@@H](C)N2CCN(CC)CC2)cc1OC ZINC001314172423 1069689386 /nfs/dbraw/zinc/68/93/86/1069689386.db2.gz HOYWBPFWTVZFGN-GGAORHGYSA-N 0 3 484.689 3.861 20 0 JHADHN CCOc1ccc(-c2nnc(N3CCN(CC(C)C)CC3)n2CCc2cccnc2)cc1OC ZINC001314175513 1069702215 /nfs/dbraw/zinc/70/22/15/1069702215.db2.gz HXKBKSQUORWRRM-UHFFFAOYSA-N 0 3 464.614 3.768 20 0 JHADHN CN(C)[C@@H](CNC(=O)NCc1nnc(-c2ccc(F)cc2)[nH]1)c1cccc(C(F)(F)F)c1 ZINC001312074002 1069706893 /nfs/dbraw/zinc/70/68/93/1069706893.db2.gz NNTPWPVXXSIGNE-KRWDZBQOSA-N 0 3 450.440 3.732 20 0 JHADHN CCOc1ccc(-c2nnc(N3CCS[C@@H](C)[C@H]3C)n2CCN2CC=CCC2)cc1OC ZINC001314179244 1069717963 /nfs/dbraw/zinc/71/79/63/1069717963.db2.gz UFIOERKZGRWCOO-MOPGFXCFSA-N 0 3 457.644 3.945 20 0 JHADHN CCCN(CCn1c(Cc2cccnc2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C)C(=O)OC(C)(C)C ZINC001307013864 1069718909 /nfs/dbraw/zinc/71/89/09/1069718909.db2.gz RDMVKGRCXSCRRM-SFTDATJTSA-N 0 3 485.677 3.830 20 0 JHADHN CCCn1c([C@H](C)Oc2ccccc2F)nnc1N(C)C1CCN(CCn2cccn2)CC1 ZINC001307015632 1069722604 /nfs/dbraw/zinc/72/26/04/1069722604.db2.gz WZDJASKZTISXNZ-IBGZPJMESA-N 0 3 455.582 3.765 20 0 JHADHN CCOc1ccc(CN(C)c2nnc(C(=O)N3CCCC3)n2CCN2CCCC(C)(C)C2)cc1OC ZINC001314182125 1069728014 /nfs/dbraw/zinc/72/80/14/1069728014.db2.gz DRWJYOHEEQYWNU-UHFFFAOYSA-N 0 3 498.672 3.680 20 0 JHADHN CCOc1ccc(Cn2c(C(=O)NC(C)C)nnc2N2CCN(C3CCC(C)CC3)CC2)cc1OC ZINC001314184317 1069734647 /nfs/dbraw/zinc/73/46/47/1069734647.db2.gz BOUUUTGQCCUECL-UHFFFAOYSA-N 0 3 498.672 3.573 20 0 JHADHN CCOc1ccc(Cn2c([C@H]3CCOC3)nnc2N2CCN(CCC(C)(C)C)CC2)cc1OC ZINC001314188558 1069744844 /nfs/dbraw/zinc/74/48/44/1069744844.db2.gz JSEFMFAKBUQVCN-NRFANRHFSA-N 0 3 471.646 3.796 20 0 JHADHN CCOc1ccc(O[C@H](C)c2nnc(N3CCN(C4CCC(C)CC4)CC3)n2CCC(=O)NC)cc1 ZINC001314197197 1069779238 /nfs/dbraw/zinc/77/92/38/1069779238.db2.gz KLWDEDNQEIGAPQ-ATKRNPRHSA-N 0 3 498.672 3.654 20 0 JHADHN CCOc1ccc(O[C@H](C)c2nnc(N3CCC(F)(F)C3)n2C[C@H](C)N2CCN(CC)CC2)cc1 ZINC001314199036 1069786674 /nfs/dbraw/zinc/78/66/74/1069786674.db2.gz RADFVFWYFHTEFI-VQTJNVASSA-N 0 3 492.615 3.688 20 0 JHADHN CCCN1CCCC[C@H]1Cn1c(-c2c[nH]c3ccccc23)nnc1N(CC)CCS(C)(=O)=O ZINC001307064009 1069864841 /nfs/dbraw/zinc/86/48/41/1069864841.db2.gz ZKGRMSCKZIOWHC-IBGZPJMESA-N 0 3 472.659 3.562 20 0 JHADHN CN1CCC[C@H]2[C@H]1CCN2C(=O)NCCOc1ccc(Br)cc1C(F)(F)F ZINC001312425092 1069928034 /nfs/dbraw/zinc/92/80/34/1069928034.db2.gz GQAXLLIAHKZBBP-CABCVRRESA-N 0 3 450.299 3.725 20 0 JHADHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N1C[C@H](CC(=O)N(C)C)c2cc(Cl)ccc21 ZINC001312454430 1069947687 /nfs/dbraw/zinc/94/76/87/1069947687.db2.gz BDTNSONLDCPRPU-ZWCUEREDSA-N 0 3 455.002 3.952 20 0 JHADHN CCO[C@@H]1C[C@@H](N(C)c2nnc(CC(C)(C)C)n2C[C@H](C)N2CCN(CC)CC2)C12CCC2 ZINC001314249410 1069974047 /nfs/dbraw/zinc/97/40/47/1069974047.db2.gz KPKRGQVPGGCXPF-BHDDXSALSA-N 0 3 460.711 3.677 20 0 JHADHN CCO[C@@H]1C[C@@H](N(C)c2nnc(CC(C)(C)C)n2C[C@@H](C)N2CCN(CC)CC2)C12CCC2 ZINC001314249425 1069974167 /nfs/dbraw/zinc/97/41/67/1069974167.db2.gz KPKRGQVPGGCXPF-YPAWHYETSA-N 0 3 460.711 3.677 20 0 JHADHN CN(CCC(=O)Nc1ccc(C(N)=O)c(Cl)c1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC001307425808 1069978563 /nfs/dbraw/zinc/97/85/63/1069978563.db2.gz PADTVTROSFGMTE-MJGOQNOKSA-N 0 3 456.757 3.664 20 0 JHADHN CCO[C@@H]1C[C@H](N(C)c2nnc(Cc3ccc(F)cc3)n2C[C@@H](C)N2CCN(CC)CC2)C1(C)C ZINC001314256332 1069991528 /nfs/dbraw/zinc/99/15/28/1069991528.db2.gz ODWDDGQEKOPFBZ-FGCOXFRFSA-N 0 3 486.680 3.674 20 0 JHADHN CCN(CC)CC(=O)N1CCN([C@@H](C)C(=O)Nc2ccccc2Sc2ccccc2)CC1 ZINC001307460450 1069997635 /nfs/dbraw/zinc/99/76/35/1069997635.db2.gz OKRDPWXLUZCCSH-FQEVSTJZSA-N 0 3 454.640 3.651 20 0 JHADHN COCCc1ccc(OC[C@@H](O)CN2CCC([C@H]3C(=O)Nc4cc(Cl)ccc43)CC2)cc1 ZINC001307454281 1069994792 /nfs/dbraw/zinc/99/47/92/1069994792.db2.gz PASDTVWVCKZZOI-GBXCKJPGSA-N 0 3 458.986 3.717 20 0 JHADHN CN(C(=O)OC(C)(C)C)C1CCN(C[C@@H]2C[C@@]3(CCN(C(=O)OC(C)(C)C)C3)CO2)CC1 ZINC001307461954 1069999891 /nfs/dbraw/zinc/99/98/91/1069999891.db2.gz MQORLRWTOXOKND-YADARESESA-N 0 3 453.624 3.734 20 0 JHADHN CN(CCCN1CCN(C)CC1)C(=O)N[C@@H](CC1CC1)c1cc(F)cc(Br)c1 ZINC001312550618 1070007648 /nfs/dbraw/zinc/00/76/48/1070007648.db2.gz MABKYDLRAAUPHL-FQEVSTJZSA-N 0 3 455.416 3.708 20 0 JHADHN COc1cc(-c2noc(CN3CC[C@H](C)N(Cc4ccccc4)CC3)n2)cc(OC)c1OC ZINC001307501708 1070020030 /nfs/dbraw/zinc/02/00/30/1070020030.db2.gz OKJAESXPQHBCPT-SFHVURJKSA-N 0 3 452.555 3.859 20 0 JHADHN CN1CCN(CCNC(=O)N2C[C@H](c3cccc(C(F)(F)F)c3)OC(C)(C)C2)CC1(C)C ZINC001312580800 1070026388 /nfs/dbraw/zinc/02/63/88/1070026388.db2.gz FOONSAKUUFZGCG-LJQANCHMSA-N 0 3 456.553 3.593 20 0 JHADHN CC(C)Oc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CN(C(C)C)C1CCC1 ZINC001307528521 1070036862 /nfs/dbraw/zinc/03/68/62/1070036862.db2.gz HRGLJGJXDVNAPF-UHFFFAOYSA-N 0 3 451.633 3.850 20 0 JHADHN C[C@@H](CCc1ccc(I)cc1)NC(=O)N1CCN(C2CC2)C[C@@H](C)C1 ZINC001312630680 1070053283 /nfs/dbraw/zinc/05/32/83/1070053283.db2.gz WVDYKECKFLIXEE-CVEARBPZSA-N 0 3 455.384 3.738 20 0 JHADHN C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H]1CNC(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC001312633780 1070055273 /nfs/dbraw/zinc/05/52/73/1070055273.db2.gz RNSNPPIICCSMNN-RCDYEMGKSA-N 0 3 462.557 3.594 20 0 JHADHN C[C@@H]1CN(CC(=O)N[C@@H](c2ccccc2)c2ccc3[nH]c(C(F)(F)F)nc3c2)[C@@H](C)CN1C ZINC001307590871 1070069764 /nfs/dbraw/zinc/06/97/64/1070069764.db2.gz YGRZUWMVHLGIBA-VVBPWWLESA-N 0 3 459.516 3.812 20 0 JHADHN C[C@@H]1CN(CC(=O)N[C@@H](c2ccccc2)c2ccc3nc(C(F)(F)F)[nH]c3c2)[C@@H](C)CN1C ZINC001307590871 1070069778 /nfs/dbraw/zinc/06/97/78/1070069778.db2.gz YGRZUWMVHLGIBA-VVBPWWLESA-N 0 3 459.516 3.812 20 0 JHADHN CCCN(C)[C@H](CNC(=O)N1CCC(C(N)=O)(c2ccccc2)CC1)c1ccc(Cl)cc1 ZINC001312675383 1070075985 /nfs/dbraw/zinc/07/59/85/1070075985.db2.gz UAGWBUDSGKIHBM-JOCHJYFZSA-N 0 3 457.018 3.952 20 0 JHADHN CCS(=O)(=O)c1ccc([C@H](C)NC(=O)N(CCN(C)C)Cc2cccc(Cl)c2)cc1 ZINC001312673170 1070074499 /nfs/dbraw/zinc/07/44/99/1070074499.db2.gz YODXZCCFLHWGHJ-KRWDZBQOSA-N 0 3 452.020 3.968 20 0 JHADHN O=C(CN[C@@H](C[C@@H]1CCOC1)c1ccccc1)Nc1cccc(I)c1 ZINC001307612262 1070081733 /nfs/dbraw/zinc/08/17/33/1070081733.db2.gz HZHDITKXACUSBV-KXBFYZLASA-N 0 3 450.320 3.987 20 0 JHADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)N[C@H](Cc1ccccc1)c1nc2ccccc2s1 ZINC001312702199 1070086462 /nfs/dbraw/zinc/08/64/62/1070086462.db2.gz UURODKZWTIXDPQ-SIKLNZKXSA-N 0 3 451.640 3.905 20 0 JHADHN CC(=O)Nc1ccc(CN2CCC(NC(=O)N3CCC(Oc4ccccc4)CC3)CC2)cc1 ZINC001312714713 1070091242 /nfs/dbraw/zinc/09/12/42/1070091242.db2.gz BRKVZSMCRKHRRD-UHFFFAOYSA-N 0 3 450.583 3.862 20 0 JHADHN COc1ccccc1C1(NC(=O)NC2CCN(Cc3ccc(NC(C)=O)cc3)CC2)CCC1 ZINC001312716444 1070092304 /nfs/dbraw/zinc/09/23/04/1070092304.db2.gz QGAMGBCGVYVHGZ-UHFFFAOYSA-N 0 3 450.583 3.997 20 0 JHADHN CC(=O)Nc1ccc(CN2CCC(NC(=O)N3CC[C@@H](Cc4nc(C)cs4)C3)CC2)cc1 ZINC001312718117 1070092643 /nfs/dbraw/zinc/09/26/43/1070092643.db2.gz CAHALCZPGWCLBJ-FQEVSTJZSA-N 0 3 455.628 3.649 20 0 JHADHN COc1ccc([C@H]2CCCN2C(=O)NC2CCN(Cc3ccc(NC(C)=O)cc3)CC2)nc1 ZINC001312718156 1070092674 /nfs/dbraw/zinc/09/26/74/1070092674.db2.gz CBSOETXEXHPXTH-XMMPIXPASA-N 0 3 451.571 3.560 20 0 JHADHN CCN(CC(=O)N1CCC[C@H]1c1ccc(OC)c(OC)c1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001307656716 1070106287 /nfs/dbraw/zinc/10/62/87/1070106287.db2.gz FTZVAWZIEPEJBP-ZEQRLZLVSA-N 0 3 451.611 3.964 20 0 JHADHN COc1cc(NC(=O)CNC(C)(C)COc2ccc(C(F)(F)F)cn2)cc(OC)c1OC ZINC001307677796 1070120532 /nfs/dbraw/zinc/12/05/32/1070120532.db2.gz CBNHEECXFZYOAW-UHFFFAOYSA-N 0 3 457.449 3.512 20 0 JHADHN Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)CN[C@H](CC(F)(F)F)C(C)C ZINC001307691560 1070129220 /nfs/dbraw/zinc/12/92/20/1070129220.db2.gz GQFQKLPJUQFETB-OAHLLOKOSA-N 0 3 452.315 3.721 20 0 JHADHN Cc1ccoc1C(=O)NCCCNC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC001312840492 1070149822 /nfs/dbraw/zinc/14/98/22/1070149822.db2.gz URUMUDKZFVVBHX-BJKOFHAPSA-N 0 3 478.568 3.814 20 0 JHADHN CCOCCO[C@H]1CCN(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2c2cccc(F)c2)C1 ZINC001312840670 1070149977 /nfs/dbraw/zinc/14/99/77/1070149977.db2.gz VZJFJYHPZIHVAS-CCDWMCETSA-N 0 3 455.574 3.631 20 0 JHADHN CN(CCOc1ccccc1F)C(=O)CNC1(c2cccc(C(F)(F)F)c2)CCOCC1 ZINC001307728469 1070152918 /nfs/dbraw/zinc/15/29/18/1070152918.db2.gz CDWAPZXLMYFJED-UHFFFAOYSA-N 0 3 454.464 3.977 20 0 JHADHN CCOC(=O)c1cnn(C2CCN(CCOc3cc(F)cc(Br)c3)CC2)c1C ZINC001307757199 1070169384 /nfs/dbraw/zinc/16/93/84/1070169384.db2.gz SEDWVVLYKLLPIW-UHFFFAOYSA-N 0 3 454.340 3.986 20 0 JHADHN CC(C)C1CCC(N2CCN(C(=O)NCC3(C(=O)OC(C)(C)C)CCOCC3)CC2)CC1 ZINC001312909170 1070175983 /nfs/dbraw/zinc/17/59/83/1070175983.db2.gz GYXSFCAEULDWEZ-UHFFFAOYSA-N 0 3 451.652 3.667 20 0 JHADHN Cc1ccc(CN2CCCN(C(=O)CN(C)CCc3cccc(Br)c3)CC2)cc1 ZINC001307802358 1070189731 /nfs/dbraw/zinc/18/97/31/1070189731.db2.gz QUGRAKMHYSMOAL-UHFFFAOYSA-N 0 3 458.444 3.966 20 0 JHADHN CN(C)C[C@H]1COC2(CCCC2)CN1C(=O)NC[C@@](C)(C(=O)OC(C)(C)C)c1ccccc1 ZINC001312956430 1070198101 /nfs/dbraw/zinc/19/81/01/1070198101.db2.gz APRBUGKVEGEWJF-SQJMNOBHSA-N 0 3 459.631 3.571 20 0 JHADHN CCOCc1nnc(N2CCC[C@H](C[C@@H]3CCOC3)C2)n1C[C@H](c1ccc(F)cc1)N(C)C ZINC001314365353 1070195107 /nfs/dbraw/zinc/19/51/07/1070195107.db2.gz KEFQJFPWUFNRKV-ZRCGQRJVSA-N 0 3 459.610 3.900 20 0 JHADHN CN(CCn1cc(Br)cn1)C[C@](C)(O)c1ccc(Br)cc1Cl ZINC001307817645 1070197728 /nfs/dbraw/zinc/19/77/28/1070197728.db2.gz BPPNOBWULJCZNN-HNNXBMFYSA-N 0 3 451.590 3.901 20 0 JHADHN O=C(CCC1CCCCC1)N1CCN(C(=O)NCC2CCN(Cc3ccncc3)CC2)CC1 ZINC001312972493 1070205167 /nfs/dbraw/zinc/20/51/67/1070205167.db2.gz ZKBHUYZQNMZRLY-UHFFFAOYSA-N 0 3 455.647 3.508 20 0 JHADHN CCN(C(=O)NC[C@H]1CN(c2ccc(Cl)cc2)CCO1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001313018602 1070223501 /nfs/dbraw/zinc/22/35/01/1070223501.db2.gz UJIJGBVBHCLVIQ-RPWUZVMVSA-N 0 3 457.018 3.851 20 0 JHADHN CCOCc1nnc(N2CCN(C3CCC(C)CC3)CC2)n1Cc1cccnc1OCC(F)(F)F ZINC001314389915 1070242683 /nfs/dbraw/zinc/24/26/83/1070242683.db2.gz GGCBZUONUUZNGV-UHFFFAOYSA-N 0 3 496.578 3.900 20 0 JHADHN CCOCc1nnc(N2CCN(CCC(C)(C)C)CC2)n1Cc1cccc(NC(=O)[C@@H]2CCCO2)c1 ZINC001314398598 1070258940 /nfs/dbraw/zinc/25/89/40/1070258940.db2.gz JTDHXXHKDOWZFK-QHCPKHFHSA-N 0 3 498.672 3.539 20 0 JHADHN CN(CCN1CCN(C(=O)N[C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)CC1)Cc1ccccc1 ZINC001313152345 1070271233 /nfs/dbraw/zinc/27/12/33/1070271233.db2.gz SPRFTGFPFMLLBJ-RPWUZVMVSA-N 0 3 475.008 3.768 20 0 JHADHN CCOCc1nnc(N2CCO[C@@H](c3ccc(F)cc3Cl)C2)n1CCN1CCCCC1 ZINC001314410603 1070276901 /nfs/dbraw/zinc/27/69/01/1070276901.db2.gz ZYEFRHHRDBNGDE-HXUWFJFHSA-N 0 3 451.974 3.671 20 0 JHADHN CCOCc1nnc(N2CCO[C@H](c3ccc(F)cc3Cl)C2)n1CCN1CCCCC1 ZINC001314410602 1070276976 /nfs/dbraw/zinc/27/69/76/1070276976.db2.gz ZYEFRHHRDBNGDE-FQEVSTJZSA-N 0 3 451.974 3.671 20 0 JHADHN CCOc1ccc(NC(=O)CCN2C[C@@H](c3cnn(C)c3)C[C@H](C(=O)OC(C)(C)C)C2)cc1 ZINC001308013632 1070280243 /nfs/dbraw/zinc/28/02/43/1070280243.db2.gz MPBLFPHGRKZFFS-OALUTQOASA-N 0 3 456.587 3.595 20 0 JHADHN Cc1ccccc1CN1CCO[C@@H](CNC(=O)N(Cc2ccccc2)C2CCN(C)CC2)C1 ZINC001313175160 1070281140 /nfs/dbraw/zinc/28/11/40/1070281140.db2.gz FYPXMUQBWHZGHD-SANMLTNESA-N 0 3 450.627 3.502 20 0 JHADHN CC(C)(C)OC(=O)N1CC[C@]2(CO[C@H](CN[C@H](Cc3ccccc3)[C@@H](O)C(F)(F)F)C2)C1 ZINC001308032616 1070287110 /nfs/dbraw/zinc/28/71/10/1070287110.db2.gz CAGCNBBSYZPLQW-JZJXAQOMSA-N 0 3 458.521 3.527 20 0 JHADHN CCOC(=O)C1C(CN[C@@H]2CC=CC[C@H]2C(F)(F)F)=NC(=O)N[C@@H]1c1ccc(Cl)cc1 ZINC001308027552 1070284760 /nfs/dbraw/zinc/28/47/60/1070284760.db2.gz JMUWGHUMTNZDCT-IIDMSEBBSA-N 0 3 457.880 3.998 20 0 JHADHN CSc1ccc(OC[C@H](O)CN2CCC(Cc3nc(-c4ccc(F)cn4)no3)CC2)cc1 ZINC001308065531 1070300288 /nfs/dbraw/zinc/30/02/88/1070300288.db2.gz IVSVWIXDIXPFQJ-GOSISDBHSA-N 0 3 458.559 3.687 20 0 JHADHN COC(=O)c1cnc(CNC(=O)N(CCN(C)Cc2ccccc2)Cc2ccccc2)s1 ZINC001313296892 1070319786 /nfs/dbraw/zinc/31/97/86/1070319786.db2.gz CZPDRJVRLQLLIH-UHFFFAOYSA-N 0 3 452.580 3.774 20 0 JHADHN O=S1(=O)CCC[C@@H]2CN(CCCN3CCC(Cc4ccccc4)CC3)C[C@]21C(F)(F)F ZINC001308166972 1070333468 /nfs/dbraw/zinc/33/34/68/1070333468.db2.gz YYKMABUYNPKRNK-FGZHOGPDSA-N 0 3 458.590 3.773 20 0 JHADHN CN(CCCCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)NC[C@H]1CCN1C1CCOCC1 ZINC001313341942 1070332448 /nfs/dbraw/zinc/33/24/48/1070332448.db2.gz UAQJBRVHKXNOCQ-HSZRJFAPSA-N 0 3 457.594 3.823 20 0 JHADHN CN(CCCCCc1cc(-c2cccc(F)c2)n[nH]1)C(=O)NC[C@@H]1CCN1C1CCOCC1 ZINC001313341945 1070332679 /nfs/dbraw/zinc/33/26/79/1070332679.db2.gz UAQJBRVHKXNOCQ-QHCPKHFHSA-N 0 3 457.594 3.823 20 0 JHADHN COc1cccc(CN(CCN(C)C)C(=O)N[C@@H](c2nccn2C)c2ccc(F)c(F)c2)c1 ZINC001313418239 1070353445 /nfs/dbraw/zinc/35/34/45/1070353445.db2.gz IOJCPHMKGDLCCT-JOCHJYFZSA-N 0 3 457.525 3.570 20 0 JHADHN CC(C)c1nn(Cc2ccccc2)c(Cl)c1CNC1CCN(S(=O)(=O)C2CC2)CC1 ZINC001308325281 1070357052 /nfs/dbraw/zinc/35/70/52/1070357052.db2.gz YXVDQMMDGSJCLY-UHFFFAOYSA-N 0 3 451.036 3.754 20 0 JHADHN Clc1ncc(Br)cc1CNc1ccc2nc(CCN3CCOCC3)[nH]c2c1 ZINC001308316534 1070355767 /nfs/dbraw/zinc/35/57/67/1070355767.db2.gz FJFODFVTHXIVHI-UHFFFAOYSA-N 0 3 450.768 3.861 20 0 JHADHN CC(C)(C)OC(=O)N1CCC2(CC1)C[C@H](N[C@H](CC(N)=O)c1ccccc1Cl)CCO2 ZINC001308351527 1070360045 /nfs/dbraw/zinc/36/00/45/1070360045.db2.gz VATWCEXMWWRWNE-VQIMIIECSA-N 0 3 451.995 3.795 20 0 JHADHN CCCN1CCC[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@@H](C)CC[C@H]1C ZINC001313446213 1070361715 /nfs/dbraw/zinc/36/17/15/1070361715.db2.gz AABYQTORXDSJCD-ZVDOUQERSA-N 0 3 459.660 3.848 20 0 JHADHN OC[C@@H](CNCc1cn2ccc(Br)cc2n1)Cc1ccc(Br)cc1 ZINC001308369762 1070362351 /nfs/dbraw/zinc/36/23/51/1070362351.db2.gz RRXBTPJVGRDVEJ-CQSZACIVSA-N 0 3 453.178 3.800 20 0 JHADHN CC(C)(C)OC(=O)N1CCC[C@@H](n2nncc2CNCCc2cccc(C(F)(F)F)n2)C1 ZINC001308417101 1070372880 /nfs/dbraw/zinc/37/28/80/1070372880.db2.gz NVZJABGOXFUPDC-MRXNPFEDSA-N 0 3 454.497 3.596 20 0 JHADHN CNS(=O)(=O)c1ccc(CCNCc2c(C)nn(-c3cccc(Cl)c3)c2Cl)cc1 ZINC001308493272 1070381826 /nfs/dbraw/zinc/38/18/26/1070381826.db2.gz UJVADAXHOZNPCE-UHFFFAOYSA-N 0 3 453.395 3.728 20 0 JHADHN COc1ccc(S(=O)(=O)N2CC(N[C@@H]3CCCC[C@H]3c3cc(F)c(F)c(F)c3)C2)cc1 ZINC001308671151 1070415099 /nfs/dbraw/zinc/41/50/99/1070415099.db2.gz VUESACBXDGZAJV-GHTZIAJQSA-N 0 3 454.514 3.801 20 0 JHADHN COC(=O)[C@@H](C)Oc1ccc(CN2CCC[C@@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)cc1 ZINC001308681448 1070416517 /nfs/dbraw/zinc/41/65/17/1070416517.db2.gz AELVWKCXEIGRAD-YLJYHZDGSA-N 0 3 454.571 3.858 20 0 JHADHN COC(=O)c1nn(-c2ccc(Cl)c(Cl)c2)cc1CN[C@H]1CCCN2CCSC[C@H]12 ZINC001308938210 1070462667 /nfs/dbraw/zinc/46/26/67/1070462667.db2.gz IVXJGVFBIZSNKM-ZWKOTPCHSA-N 0 3 455.411 3.635 20 0 JHADHN CCCNC(=O)Cn1c(-c2sc(-c3ccccc3)nc2C)nnc1N1C[C@H](C)N(CC)C[C@@H]1C ZINC001313489857 1070509872 /nfs/dbraw/zinc/50/98/72/1070509872.db2.gz ZWQZJKPXXBIFES-ROUUACIJSA-N 0 3 481.670 3.822 20 0 JHADHN COc1cc(Br)c(F)cc1S(=O)(=O)[N-]CCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001309064269 1070517577 /nfs/dbraw/zinc/51/75/77/1070517577.db2.gz SCSFRWIIQTVESS-ZIAGYGMSSA-N 0 3 451.402 3.633 20 0 JHADHN CCCOc1ccc(-c2nnc(N3C[C@@H](C)N(CC)C[C@@H]3C)n2CCc2ccn(C)n2)cc1OC ZINC001313502550 1070529216 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/nfs/dbraw/zinc/63/04/03/1070630403.db2.gz JIUOENQBFYVZEX-BIRZXAFVSA-N 0 3 497.775 3.659 20 0 JHADHN CCS[C@@H]1CCCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCN(C)C2CCCCC2)C1 ZINC001314603599 1070658679 /nfs/dbraw/zinc/65/86/79/1070658679.db2.gz MBPCCJIIYFJKIT-TZIWHRDSSA-N 0 3 483.748 3.557 20 0 JHADHN CCS[C@H]1CCCCN(c2nnc(CN3CCCC3=O)n2CCN(C)Cc2ccccc2)C1 ZINC001314606071 1070663327 /nfs/dbraw/zinc/66/33/27/1070663327.db2.gz ACQNLWGBUHPNHA-QFIPXVFZSA-N 0 3 470.687 3.645 20 0 JHADHN CCN(c1nnc([C@]2(OC(C)C)CCOC2)n1C[C@H]1CN(Cc2ccccc2)CCCO1)C(C)C ZINC001313583551 1070706175 /nfs/dbraw/zinc/70/61/75/1070706175.db2.gz VVEPXWKJHUZRTB-SQHAQQRYSA-N 0 3 485.673 3.845 20 0 JHADHN CN(C)C(=O)[C@@H]1CCCN1CCCn1c(CC(C)(C)C)nnc1N1CCc2c(F)ccc(F)c2C1 ZINC001314627929 1070722194 /nfs/dbraw/zinc/72/21/94/1070722194.db2.gz FFKAFCVYIWKOPP-QFIPXVFZSA-N 0 3 488.627 3.650 20 0 JHADHN C[C@@H](C1CCN(C)CC1)N(C)S(=O)(=O)c1csc(-c2cccc(Br)c2)n1 ZINC001309363671 1070724726 /nfs/dbraw/zinc/72/47/26/1070724726.db2.gz 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CCN(CCn1c(-c2ccc(-n3cnnn3)cc2)nnc1N1CC[C@@H](C(C)C)C1)CCC(F)(F)F ZINC001313811975 1071248677 /nfs/dbraw/zinc/24/86/77/1071248677.db2.gz NTUKEDABARFYDI-LJQANCHMSA-N 0 3 491.566 3.677 20 0 JHADHN CCN(CCn1c(-c2cnccn2)nnc1N1CCc2c(F)ccc(F)c2C1)CCC(F)(F)F ZINC001313812129 1071249186 /nfs/dbraw/zinc/24/91/86/1071249186.db2.gz BUHLNMDSIOYINQ-UHFFFAOYSA-N 0 3 481.473 3.850 20 0 JHADHN CCN(CCn1c(-c2cccc(C)n2)nnc1N1CCC[C@H](c2nc(C)no2)C1)CCC(F)(F)F ZINC001313813632 1071255210 /nfs/dbraw/zinc/25/52/10/1071255210.db2.gz VMNWBKCHSMYEKH-SFHVURJKSA-N 0 3 492.550 3.998 20 0 JHADHN CN(CCn1c(Cc2cccnc2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F)Cc1ccccc1 ZINC001314862928 1071258061 /nfs/dbraw/zinc/25/80/61/1071258061.db2.gz JABIBUYBAUIBDA-UHFFFAOYSA-N 0 3 498.557 3.785 20 0 JHADHN CN(CCn1c(CC2CC2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1)Cc1ccccc1 ZINC001314865770 1071267222 /nfs/dbraw/zinc/26/72/22/1071267222.db2.gz WZGIGDLKYUBUJG-JOCHJYFZSA-N 0 3 468.646 3.856 20 0 JHADHN Cc1cc(NC(=O)N2CCC(N3CCN(c4cccc(Cl)c4)CC3)CC2)ccc1C(N)=O ZINC001310285871 1071270435 /nfs/dbraw/zinc/27/04/35/1071270435.db2.gz LQBBFHHNUFDFFE-UHFFFAOYSA-N 0 3 455.990 3.566 20 0 JHADHN CCn1cc([C@H]2CN(c3nnc(C(C)(C)C)n3C[C@H](c3cccs3)N(C)C)CCO2)cn1 ZINC001313833076 1071307288 /nfs/dbraw/zinc/30/72/88/1071307288.db2.gz QAPVGALWWZAEGC-RTBURBONSA-N 0 3 457.648 3.734 20 0 JHADHN CN(CCOCC1CC1)c1nnc(C(C)(C)C)n1C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC001314885006 1071313225 /nfs/dbraw/zinc/31/32/25/1071313225.db2.gz DVGAPHXIKQSGKY-QHCPKHFHSA-N 0 3 455.647 3.730 20 0 JHADHN CCn1cc(Cn2c(Cc3ccccc3OC)nnc2N2CCN(CCC(C)(C)C)CC2)cn1 ZINC001313846266 1071336447 /nfs/dbraw/zinc/33/64/47/1071336447.db2.gz HPMNYXQQSCFONB-UHFFFAOYSA-N 0 3 465.646 3.700 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3ccc(Br)cc3Cl)n2C[C@H]2COCCO2)C[C@@H]1C ZINC001313858557 1071360389 /nfs/dbraw/zinc/36/03/89/1071360389.db2.gz BOEIZWPFCWGNHU-ZOBUZTSGSA-N 0 3 498.853 3.695 20 0 JHADHN CN1CCC[C@@H]1C(=O)N1CCN(c2nnc(C(C)(C)C)n2C[C@H]2C[C@@H](OC(C)(C)C)C2(C)C)CC1 ZINC001314924142 1071366646 /nfs/dbraw/zinc/36/66/46/1071366646.db2.gz LTFZJADZCNRVGQ-NJDAHSKKSA-N 0 3 488.721 3.548 20 0 JHADHN CCN1C[C@H](C)N(c2nnc([C@]3(OC(C)C)CCOC3)n2CCOc2cccc(C)c2)C[C@@H]1C ZINC001313860215 1071368542 /nfs/dbraw/zinc/36/85/42/1071368542.db2.gz JFRGARDWGMAXDL-MCEYFSPLSA-N 0 3 471.646 3.625 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(-c3cc(Br)cn3C)n2CC(C)(C)COC)C[C@@H]1C ZINC001313861131 1071372646 /nfs/dbraw/zinc/37/26/46/1071372646.db2.gz LUDQAPKCKUPIHD-JKSUJKDBSA-N 0 3 467.456 3.638 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2CC(C)(C)c2ccc(F)cc2)C[C@@H]1C ZINC001313861889 1071375513 /nfs/dbraw/zinc/37/55/13/1071375513.db2.gz RQPKMPIMLJITMR-RBUKOAKNSA-N 0 3 479.604 3.961 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(-c3cc(OC)ccc3Br)n2CCc2cn[nH]c2)C[C@@H]1C ZINC001313863563 1071382055 /nfs/dbraw/zinc/38/20/55/1071382055.db2.gz WHPHTESNQFFPDY-JKSUJKDBSA-N 0 3 488.434 3.601 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCCOC2CCOCC2)C[C@H]1C ZINC001313863018 1071379141 /nfs/dbraw/zinc/37/91/41/1071379141.db2.gz UVVGJVLLYFSVAF-YADHBBJMSA-N 0 3 498.672 3.652 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(-c3csc(N4CCOCC4)n3)n2CCSCC(C)C)C[C@H]1C ZINC001313863060 1071380324 /nfs/dbraw/zinc/38/03/24/1071380324.db2.gz JIJJECCROKGKMJ-RTBURBONSA-N 0 3 493.747 3.546 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3ccc(Cl)nc3)n2CC[C@@H](OC)C(F)(F)F)C[C@@H]1C ZINC001313863962 1071384083 /nfs/dbraw/zinc/38/40/83/1071384083.db2.gz FFZDFMWUFMXKBL-OFQRWUPVSA-N 0 3 460.932 3.880 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(CC(C)C)n2CC(F)(F)CNC(=O)OC(C)(C)C)C[C@H]1C ZINC001313864221 1071386480 /nfs/dbraw/zinc/38/64/80/1071386480.db2.gz BKHLEZUCSIEXMF-SJORKVTESA-N 0 3 458.598 3.556 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(-c3nn(CC)c(=O)c4ccccc43)n2CCC(C)C)C[C@H]1C ZINC001313864637 1071387462 /nfs/dbraw/zinc/38/74/62/1071387462.db2.gz MKBHHTQZJOSPOJ-RTBURBONSA-N 0 3 451.619 3.640 20 0 JHADHN CCN1C[C@H](C)N(c2nnc([C@@]3(OC(C)C)CCOC3)n2Cc2ccnc(C(F)(F)F)c2)C[C@@H]1C ZINC001313865031 1071390489 /nfs/dbraw/zinc/39/04/89/1071390489.db2.gz WEMUTUURUZXWKZ-IUKKYPGJSA-N 0 3 496.578 3.700 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(CCCc3ccccc3)n2CCn2cc(Cl)cn2)C[C@H]1C ZINC001313866248 1071395435 /nfs/dbraw/zinc/39/54/35/1071395435.db2.gz FQLWBZJHFFNPNS-UXHICEINSA-N 0 3 456.038 3.922 20 0 JHADHN CCN1C[C@H](C)N(c2nnc([C@@H]3CCCCO3)n2C[C@H](C)Oc2cccc(OC)c2)C[C@H]1C ZINC001313867064 1071397262 /nfs/dbraw/zinc/39/72/62/1071397262.db2.gz JEZUIKHKPQXTLT-NVJIOZQYSA-N 0 3 457.619 3.915 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3ccc(OC)cc3OC)n2CC2(SC)CCOCC2)C[C@@H]1C ZINC001313867152 1071398002 /nfs/dbraw/zinc/39/80/02/1071398002.db2.gz LZFAWCWQUUHSGT-OALUTQOASA-N 0 3 489.686 3.793 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3ccccc3)n2CCNc2nccc(C(F)(F)F)n2)C[C@@H]1C ZINC001313867165 1071398879 /nfs/dbraw/zinc/39/88/79/1071398879.db2.gz MEZSNJJBAQDXRK-IRXDYDNUSA-N 0 3 474.535 3.785 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(-c3ccccc3)n2CCNc2nccc(C(F)(F)F)n2)C[C@H]1C ZINC001313867164 1071398971 /nfs/dbraw/zinc/39/89/71/1071398971.db2.gz MEZSNJJBAQDXRK-IAGOWNOFSA-N 0 3 474.535 3.785 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@@H]2C[C@@H]2C)C[C@@H]1C ZINC001313868680 1071405307 /nfs/dbraw/zinc/40/53/07/1071405307.db2.gz NAIXIAAWWBYISG-IWFBPKFRSA-N 0 3 460.667 3.968 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3ccc(OC)cc3OC)n2CCc2ccccn2)C[C@@H]1C ZINC001313869505 1071407459 /nfs/dbraw/zinc/40/74/59/1071407459.db2.gz PVPSWONELRMYRY-OALUTQOASA-N 0 3 450.587 3.519 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(Cc3csc(C)n3)n2CCc2ccc(OC)c(OC)c2)C[C@@H]1C ZINC001313869589 1071409341 /nfs/dbraw/zinc/40/93/41/1071409341.db2.gz QKSNWUMZMDAJHG-ROUUACIJSA-N 0 3 484.670 3.813 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(Cc3ccccc3F)n2Cc2ccnc(OC(F)F)c2)C[C@H]1C ZINC001313870602 1071414217 /nfs/dbraw/zinc/41/42/17/1071414217.db2.gz DZDRHNQFMIVKPV-SJORKVTESA-N 0 3 474.531 3.972 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(CCc3ccc(OC)cc3)n2CCc2nccs2)C[C@@H]1C ZINC001313870633 1071414229 /nfs/dbraw/zinc/41/42/29/1071414229.db2.gz VEMCLPKJFTXSRX-OALUTQOASA-N 0 3 454.644 3.690 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(-c3ccccn3)n2CCCN(C)c2ccccc2F)C[C@@H]1C ZINC001313870873 1071415237 /nfs/dbraw/zinc/41/52/37/1071415237.db2.gz FVROWLYCRHGCCS-VQTJNVASSA-N 0 3 451.594 3.925 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(CCc3ccccc3)n2CC[C@@H](OC)C(F)(F)F)C[C@H]1C ZINC001313870738 1071415255 /nfs/dbraw/zinc/41/52/55/1071415255.db2.gz VVYPZPXLZZFSKJ-WSTZPKSXSA-N 0 3 453.553 3.950 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(-c3cccnc3)n2CC2CCN(CC(F)(F)F)CC2)C[C@H]1C ZINC001313870899 1071415817 /nfs/dbraw/zinc/41/58/17/1071415817.db2.gz FXPVRXPFIDLOHS-QZTJIDSGSA-N 0 3 465.568 3.533 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(Cc3ccc(Cl)cc3)n2CCSCCCO)C[C@@H]1C ZINC001313871680 1071417546 /nfs/dbraw/zinc/41/75/46/1071417546.db2.gz GYDXCBMWUFPLDT-ROUUACIJSA-N 0 3 452.068 3.557 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3ccccc3OC)n2CCCN(C)CC(F)(F)F)C[C@@H]1C ZINC001313872616 1071421929 /nfs/dbraw/zinc/42/19/29/1071421929.db2.gz JOAYQQWGMKRLBA-ROUUACIJSA-N 0 3 468.568 3.757 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(COc3ccc(C)cc3)n2CCCNC(=O)c2occc2C)C[C@@H]1C ZINC001313872991 1071423948 /nfs/dbraw/zinc/42/39/48/1071423948.db2.gz BPIULJSSRVOVCF-FCHUYYIVSA-N 0 3 494.640 3.806 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(-c3ccc(OC)c(OC)c3)n2CCc2scnc2C)C[C@@H]1C ZINC001313873071 1071424036 /nfs/dbraw/zinc/42/40/36/1071424036.db2.gz YQQKSWXKJVFDOH-DLBZAZTESA-N 0 3 470.643 3.889 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(Cc3c(F)cccc3F)n2CCCn2ccnc2C)C[C@H]1C ZINC001313874413 1071428782 /nfs/dbraw/zinc/42/87/82/1071428782.db2.gz NVGCSYNDNLJVIX-MSOLQXFVSA-N 0 3 457.573 3.661 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(COc3ccc(OC)cc3)n2CC2(CC)CCOCC2)C[C@H]1C ZINC001313874810 1071430548 /nfs/dbraw/zinc/43/05/48/1071430548.db2.gz KGZSUUFZVOYVSY-NHCUHLMSSA-N 0 3 471.646 3.991 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(COc3ccc(C)c(C)c3)n2Cc2snnc2C)C[C@H]1C ZINC001313876992 1071439820 /nfs/dbraw/zinc/43/98/20/1071439820.db2.gz QAJODEGOSROPQS-MSOLQXFVSA-N 0 3 455.632 3.601 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(Cc3ccc(F)cc3)n2CCCN(C)CC(F)(F)F)C[C@H]1C ZINC001313876128 1071436644 /nfs/dbraw/zinc/43/66/44/1071436644.db2.gz QZMVCUBPUZUBCY-MSOLQXFVSA-N 0 3 470.559 3.811 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(-c3ccccc3Cl)n2CC2CCN(C(=O)OC)CC2)C[C@@H]1C ZINC001313877893 1071443158 /nfs/dbraw/zinc/44/31/58/1071443158.db2.gz XKHKREJINDACDL-ZWKOTPCHSA-N 0 3 475.037 3.996 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(Cc3cccnc3)n2CC[C@H]2CCN(C(=O)OC(C)(C)C)C2)C[C@H]1C ZINC001313879074 1071447080 /nfs/dbraw/zinc/44/70/80/1071447080.db2.gz YPNTVSZTABFEAK-BHIFYINESA-N 0 3 497.688 3.830 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(Cc3cccnc3)n2CC[C@H]2CCN(C(=O)OC(C)(C)C)C2)C[C@@H]1C ZINC001313879075 1071447789 /nfs/dbraw/zinc/44/77/89/1071447789.db2.gz YPNTVSZTABFEAK-FDFHNCONSA-N 0 3 497.688 3.830 20 0 JHADHN CCN1C[C@H](C)N(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H]2CC(F)(F)CO2)C[C@H]1C ZINC001313881310 1071455128 /nfs/dbraw/zinc/45/51/28/1071455128.db2.gz CANWPBRNWPYFQO-RHQZKXFESA-N 0 3 455.594 3.540 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc([C@H]3OCC[C@H]3COC)n2CCCCc2nc(C)cs2)C[C@@H]1C ZINC001313883139 1071460673 /nfs/dbraw/zinc/46/06/73/1071460673.db2.gz INFPKIPZARXFTE-IIZPIQPGSA-N 0 3 476.691 3.709 20 0 JHADHN CCN1C[C@H](C)N(c2nnc([C@H]3OCC[C@H]3COC)n2CCC2(COC)CCCC2)C[C@H]1C ZINC001313884827 1071464193 /nfs/dbraw/zinc/46/41/93/1071464193.db2.gz NPWPDODBCLSXGR-MLNNCEHLSA-N 0 3 463.667 3.518 20 0 JHADHN CCN1C[C@H](C)N(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCc2c(C)noc2C)C[C@@H]1C ZINC001313887793 1071474242 /nfs/dbraw/zinc/47/42/42/1071474242.db2.gz VZOUUZWVTHVWJS-PEYKTXOXSA-N 0 3 458.651 3.963 20 0 JHADHN CNC(=O)c1cccc(CCn2c([C@@H]3CCCCO3)nnc2N2CCN(CCC(C)(C)C)CC2)c1 ZINC001314980253 1071482075 /nfs/dbraw/zinc/48/20/75/1071482075.db2.gz NQTRKYSSZZHSPA-QHCPKHFHSA-N 0 3 482.673 3.680 20 0 JHADHN CCN1CC[C@H](Cn2c(-c3ccc(-c4ccc(F)cc4)s3)nnc2N(C)CCS(C)(=O)=O)C1 ZINC001313891845 1071485247 /nfs/dbraw/zinc/48/52/47/1071485247.db2.gz VGTDTKGDZJNACL-KRWDZBQOSA-N 0 3 491.658 3.635 20 0 JHADHN CCN1CCC[C@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC[C@@](C)(OC)CC1 ZINC001313895643 1071497787 /nfs/dbraw/zinc/49/77/87/1071497787.db2.gz AVLOFYDTTXZXAL-SQJMNOBHSA-N 0 3 489.064 3.741 20 0 JHADHN CCN1CCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)[C@@H](CF)c1ccc(Br)cc1 ZINC001313896072 1071498850 /nfs/dbraw/zinc/49/88/50/1071498850.db2.gz CSADNLCQMNKQSL-OALUTQOASA-N 0 3 495.441 3.810 20 0 JHADHN CCN1CCC[C@@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@H](C)S[C@@H](C)C1 ZINC001313897419 1071501905 /nfs/dbraw/zinc/50/19/05/1071501905.db2.gz JGKKRZDZUGAXDO-IRFCIJBXSA-N 0 3 456.660 3.962 20 0 JHADHN CCN1CCC[C@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCO[C@@H](C(C)(C)C)C1 ZINC001313897427 1071502053 /nfs/dbraw/zinc/50/20/53/1071502053.db2.gz JLDBIORTCCFJBG-FCHUYYIVSA-N 0 3 468.646 3.883 20 0 JHADHN CCN1CCCC[C@@H]1Cn1c(C(=O)N2CCCC2)nnc1N(C)CCOc1ccccc1Cl ZINC001313903675 1071515879 /nfs/dbraw/zinc/51/58/79/1071515879.db2.gz FIMPTNFXQUUUEH-LJQANCHMSA-N 0 3 475.037 3.557 20 0 JHADHN CCN1CCCC[C@@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)Cc1ccco1 ZINC001313903984 1071517138 /nfs/dbraw/zinc/51/71/38/1071517138.db2.gz GJVYVCFFSQQHHT-HXUWFJFHSA-N 0 3 471.005 3.965 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(-c3cccc(Cl)c3)nnc2N2CCC(F)(F)CC2)CC1 ZINC001313920527 1071559217 /nfs/dbraw/zinc/55/92/17/1071559217.db2.gz KBWONYMJFKLFFX-KRWDZBQOSA-N 0 3 452.981 3.860 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c([C@@H](C)Oc3ccccc3F)nnc2N(C)Cc2ccccn2)CC1 ZINC001313921200 1071561404 /nfs/dbraw/zinc/56/14/04/1071561404.db2.gz OZGNEUYOXBEYMK-LEWJYISDSA-N 0 3 481.620 3.615 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(-c3ccc(C)o3)nnc2N(C)Cc2cc(C)ccc2F)CC1 ZINC001313921771 1071562498 /nfs/dbraw/zinc/56/24/98/1071562498.db2.gz SHDNMBTYULCULI-IBGZPJMESA-N 0 3 454.594 3.956 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(-c3ccc(C)o3)nnc2N(C)Cc2ccc(OC)c(F)c2)CC1 ZINC001313923024 1071566288 /nfs/dbraw/zinc/56/62/88/1071566288.db2.gz ZNPBSJVQHQXVFD-SFHVURJKSA-N 0 3 470.593 3.657 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c([C@H](C)Oc3ccccc3F)nnc2N(C)CC2CC(F)C2)CC1 ZINC001313922999 1071566315 /nfs/dbraw/zinc/56/63/15/1071566315.db2.gz ZERPIVXCHZHHQU-IKJYFWGWSA-N 0 3 476.616 3.768 20 0 JHADHN CNC(=O)CCCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@@H](c1ccc(C)cc1)N(C)C ZINC001315034422 1071566510 /nfs/dbraw/zinc/56/65/10/1071566510.db2.gz MHCAKJSOWXPKSK-AOHZBQACSA-N 0 3 484.689 3.770 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(-c3ccc(OC)cc3)nnc2N(C)[C@@H](C)c2ccco2)CC1 ZINC001313923919 1071568743 /nfs/dbraw/zinc/56/87/43/1071568743.db2.gz AVADEBNFYVMBNJ-UXHICEINSA-N 0 3 452.603 3.770 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(-c3ccccc3F)nnc2N2CCC[C@](C)(OC)CC2)CC1 ZINC001313925502 1071574218 /nfs/dbraw/zinc/57/42/18/1071574218.db2.gz RXUHUTNFZFVTQM-CPJSRVTESA-N 0 3 458.626 3.506 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(Cc3ccccc3OC)nnc2N2CCC[C@@H](OC(C)(C)C)C2)CC1 ZINC001313925727 1071574264 /nfs/dbraw/zinc/57/42/64/1071574264.db2.gz BMIJPVNWESIISA-ISKFKSNPSA-N 0 3 498.716 3.687 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(-c3ccccc3C)nnc2N2CCC[C@@H](OCC(F)(F)F)C2)CC1 ZINC001313927052 1071578721 /nfs/dbraw/zinc/57/87/21/1071578721.db2.gz ZCRAWWOCCROSFV-NHCUHLMSSA-N 0 3 494.606 3.827 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(CSc3ccc(C)cc3)nnc2N2CCO[C@H](C(C)C)C2)CC1 ZINC001313928109 1071582398 /nfs/dbraw/zinc/58/23/98/1071582398.db2.gz QEEITJHACSWUAC-VWNXMTODSA-N 0 3 486.730 3.766 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(CCOc3ccccc3)nnc2N2CCC[C@@H](OC(C)(C)C)C2)CC1 ZINC001313928008 1071582668 /nfs/dbraw/zinc/58/26/68/1071582668.db2.gz MVZAQPSAUHJTGI-UKILVPOCSA-N 0 3 498.716 3.710 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(COc3cc(C)cc(C)c3)nnc2N2CCC(C)CC2)CC1 ZINC001313929075 1071586096 /nfs/dbraw/zinc/58/60/96/1071586096.db2.gz XIPQVWIKTLRMJA-HSZRJFAPSA-N 0 3 454.663 3.736 20 0 JHADHN COC(=O)[C@@H]1CCCN(c2nnc(-c3ccccc3OC)n2C[C@H](c2cccs2)N(C)C)C1 ZINC001315083624 1071592259 /nfs/dbraw/zinc/59/22/59/1071592259.db2.gz YAEIFQRXTFFVCT-IEBWSBKVSA-N 0 3 469.611 3.708 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(Cc3ccsc3)nnc2N(C)Cc2ccc(C)s2)CC1 ZINC001313930623 1071590028 /nfs/dbraw/zinc/59/00/28/1071590028.db2.gz WCRVSNJUQJPQNK-SFHVURJKSA-N 0 3 458.701 3.963 20 0 JHADHN CCN1CCN(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CCn2ccnc2C)C[C@@H]1C ZINC001313941362 1071616884 /nfs/dbraw/zinc/61/68/84/1071616884.db2.gz BQNFHMVVQHPHRS-FQEVSTJZSA-N 0 3 465.646 3.890 20 0 JHADHN CCN1CCN(c2nnc(COc3cc(C)ccc3C)n2CCCN2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC001313943308 1071622665 /nfs/dbraw/zinc/62/26/65/1071622665.db2.gz RKJBYSKDAGNKNV-KMDXXIMOSA-N 0 3 484.689 3.504 20 0 JHADHN CCN1CCN([C@H]2CCN(c3nnc(-c4ccc(Cl)cc4F)n3CCOC(C)(C)C)C2)CC1 ZINC001313944957 1071625690 /nfs/dbraw/zinc/62/56/90/1071625690.db2.gz KORBTBNCZFMSLP-IBGZPJMESA-N 0 3 479.044 3.769 20 0 JHADHN CCN1CCN(C[C@@H](C)Cn2c(C)nnc2N2CCC(Nc3ccccc3Cl)CC2)CC1 ZINC001313949494 1071636415 /nfs/dbraw/zinc/63/64/15/1071636415.db2.gz JANXFUBAPMLFBH-LJQANCHMSA-N 0 3 460.070 3.594 20 0 JHADHN CCN1CCN(C[C@H](C)Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2CCSC[C@H]2C)CC1 ZINC001313951222 1071641184 /nfs/dbraw/zinc/64/11/84/1071641184.db2.gz RMRWJTSLOVLBOR-PWRODBHTSA-N 0 3 490.693 3.773 20 0 JHADHN CCN1CCN(C[C@@H](C)Cn2c(N3CCC[C@@H](c4noc(C(C)C)n4)C3)nnc2C(C)(C)C)CC1 ZINC001313952189 1071645162 /nfs/dbraw/zinc/64/51/62/1071645162.db2.gz OPHXNNRUXKJVEI-NHCUHLMSSA-N 0 3 486.709 3.740 20 0 JHADHN CCN1CCN(C[C@H](C)Cn2c(CSc3ccccc3OC)nnc2N2CC=CCC2)CC1 ZINC001313951366 1071641730 /nfs/dbraw/zinc/64/17/30/1071641730.db2.gz HBKBOMLXRAGMQZ-NRFANRHFSA-N 0 3 470.687 3.619 20 0 JHADHN CCN1CCN(C[C@@H](C)Cn2c(C(C)C)nnc2N2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)CC1 ZINC001313952201 1071644332 /nfs/dbraw/zinc/64/43/32/1071644332.db2.gz YFBMCLUMKVJQBQ-FYYLOGMGSA-N 0 3 484.664 3.914 20 0 JHADHN CCN1CCN(C[C@H](C)Cn2c(CC3CCCC3)nnc2N(C)CC2CC(F)(F)C2)CC1 ZINC001313954196 1071650566 /nfs/dbraw/zinc/65/05/66/1071650566.db2.gz AZBHPWJQUFMUJI-IBGZPJMESA-N 0 3 452.638 3.766 20 0 JHADHN CCN1CCN(C[C@@H](C)Cn2c(Cc3csc(C)n3)nnc2N2CCC[C@H](C)CC2)CC1 ZINC001313954574 1071651735 /nfs/dbraw/zinc/65/17/35/1071651735.db2.gz BXOGHWDAHNKYQA-VQTJNVASSA-N 0 3 459.708 3.534 20 0 JHADHN CCN(Cc1ccc2c(c1)OCO2)c1nnc(CC(C)(C)C)n1C[C@H](C)CN1CCN(CC)CC1 ZINC001313956809 1071658119 /nfs/dbraw/zinc/65/81/19/1071658119.db2.gz NGLHBPVWODLVIC-OAQYLSRUSA-N 0 3 484.689 3.896 20 0 JHADHN CCN1CCN(CCCn2c(C3CCCC3)nnc2N(C)CC(=O)Nc2c(C)cccc2C)CC1 ZINC001313956702 1071658133 /nfs/dbraw/zinc/65/81/33/1071658133.db2.gz JHMRZSKFNWLASW-UHFFFAOYSA-N 0 3 481.689 3.655 20 0 JHADHN CCN1CCN(C[C@H](C)Cn2c(CC(C)C)nnc2N2CCN(c3cccc(C)c3C)CC2)CC1 ZINC001313956863 1071658701 /nfs/dbraw/zinc/65/87/01/1071658701.db2.gz NZVGRRMIWWBOCP-QHCPKHFHSA-N 0 3 481.733 3.694 20 0 JHADHN CCN1CCN(CCCn2c([C@H](C)Oc3ccccc3F)nnc2N2CCO[C@](C)(CC)C2)CC1 ZINC001313961507 1071672711 /nfs/dbraw/zinc/67/27/11/1071672711.db2.gz UPOFIOPBFFVETF-HFZDXXHNSA-N 0 3 488.652 3.590 20 0 JHADHN CCN1CCN(CCCn2c(CSc3ccc(C)cc3)nnc2N2CCO[C@H](C(C)C)C2)CC1 ZINC001313961525 1071672909 /nfs/dbraw/zinc/67/29/09/1071672909.db2.gz UFOQIVXXJLYBPQ-DEOSSOPVSA-N 0 3 486.730 3.768 20 0 JHADHN CCN1CCN(CCCn2c(Cc3ccc(Cl)cc3)nnc2N(C)Cc2ccccn2)CC1 ZINC001313961663 1071673339 /nfs/dbraw/zinc/67/33/39/1071673339.db2.gz WIKWUQDDZIXHQD-UHFFFAOYSA-N 0 3 468.049 3.581 20 0 JHADHN CCNC(=O)C(C)(C)Cn1c(CSc2ccccc2OC)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C ZINC001313977382 1071710784 /nfs/dbraw/zinc/71/07/84/1071710784.db2.gz MPYGVLYDARVAEQ-MOPGFXCFSA-N 0 3 488.702 3.660 20 0 JHADHN CCOC(=O)N(C)C1CCN(c2nnc(Cc3ccncc3)n2C[C@H](c2ccccc2)N(C)C)CC1 ZINC001314017533 1071763259 /nfs/dbraw/zinc/76/32/59/1071763259.db2.gz HHESPYLMCGEHMC-XMMPIXPASA-N 0 3 491.640 3.624 20 0 JHADHN CCOC(=O)N[C@@H]1CCCN(c2nnc(C3CC3)n2C[C@@H](c2ccc(CC)cc2)N(C)C)C1 ZINC001314041024 1071842438 /nfs/dbraw/zinc/84/24/38/1071842438.db2.gz ZHFUOKVAJHFEIV-YADHBBJMSA-N 0 3 454.619 3.736 20 0 JHADHN CCO[C@@H](CCn1c(C2CCCC2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1)C(C)C ZINC001314058674 1071890390 /nfs/dbraw/zinc/89/03/90/1071890390.db2.gz CBOHHWICTUYMEO-ZEQRLZLVSA-N 0 3 460.711 3.992 20 0 JHADHN CCO[C@@H](CCn1c(-c2cccc(C)n2)nnc1N1CCN(CC2CCOCC2)CC1)C(C)C ZINC001314063595 1071904924 /nfs/dbraw/zinc/90/49/24/1071904924.db2.gz KGJXJWTWVRMDAP-DEOSSOPVSA-N 0 3 470.662 3.648 20 0 JHADHN CCO[C@@H](CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C2CCOCC2)CC1)C(C)C ZINC001314075773 1071932524 /nfs/dbraw/zinc/93/25/24/1071932524.db2.gz SZFUJVIVLJVBBF-TZRRMPRUSA-N 0 3 491.721 3.949 20 0 JHADHN CCO[C@]1(c2nnc(N3CCC(CC)CC3)n2C[C@H](c2cccc(OC)c2)N(C)C)CCOC1 ZINC001314111290 1072005557 /nfs/dbraw/zinc/00/55/57/1072005557.db2.gz JFURVPQKCQROSU-ZEQKJWHPSA-N 0 3 471.646 3.868 20 0 JHADHN CCO[C@@]1(c2nnc(N3CCCCCC3)n2C[C@H](c2cccc(OC)c2)N(C)C)CCOC1 ZINC001314124278 1072029484 /nfs/dbraw/zinc/02/94/84/1072029484.db2.gz OWEXWBGILAZNEH-RDGATRHJSA-N 0 3 457.619 3.622 20 0 JHADHN CCO[C@@]1(c2nnc(N3CCCCCC3)n2C[C@@H](c2cccc(OC)c2)N(C)C)CCOC1 ZINC001314124275 1072029631 /nfs/dbraw/zinc/02/96/31/1072029631.db2.gz OWEXWBGILAZNEH-DHLKQENFSA-N 0 3 457.619 3.622 20 0 JHADHN CCO[C@]1(c2nnc(N3CCN(C(C)(C)C)CC3)n2CCc2ccc(F)c(F)c2F)CCOC1 ZINC001314135658 1072047851 /nfs/dbraw/zinc/04/78/51/1072047851.db2.gz NEXZAONDWXTBGX-XMMPIXPASA-N 0 3 481.563 3.511 20 0 JHADHN CCO[C@]1(c2nnc(N3CCN(C4CCCCC4)CC3)n2CC(C)(C)SC)CCOC1 ZINC001314134900 1072047357 /nfs/dbraw/zinc/04/73/57/1072047357.db2.gz PWARKOFZMGZNNQ-HSZRJFAPSA-N 0 3 451.681 3.527 20 0 JHADHN CCc1ccc([C@@H](Cn2c(CNC(=O)c3cccs3)nnc2N2CCC[C@H](OC)C2)N(C)C)cc1 ZINC001305922026 1068217625 /nfs/dbraw/zinc/21/76/25/1068217625.db2.gz YAPSTYSYYQJTCD-FCHUYYIVSA-N 0 3 496.681 3.750 20 0 JHADHN CCc1ccc(-c2nnc(N3CC[C@@H](N4CCN(CC)CC4)C3)n2CCCOC(F)(F)F)cc1 ZINC001305936590 1068239488 /nfs/dbraw/zinc/23/94/88/1068239488.db2.gz YWKCLNAWIIHBEU-OAQYLSRUSA-N 0 3 480.579 3.650 20 0 JHADHN CCc1ccc(-c2nnc(N3CCC(S(C)(=O)=O)CC3)n2C[C@H](C)N2CCC[C@@H](C)C2)cc1 ZINC001305937632 1068242574 /nfs/dbraw/zinc/24/25/74/1068242574.db2.gz NXBIPOSLNWMOTP-UXHICEINSA-N 0 3 473.687 3.641 20 0 JHADHN CCc1ccccc1OCc1nnc(N2CCN(C[C@@H]3CCOC3)CC2)n1CC(C)(C)SC ZINC001305989587 1068348342 /nfs/dbraw/zinc/34/83/42/1068348342.db2.gz RKDLCTLIWHFZEG-FQEVSTJZSA-N 0 3 473.687 3.720 20 0 JHADHN CCc1nnc(N(C)Cc2ccccc2Br)n1C[C@@H](C)CN1CCN(CC)CC1 ZINC001306079906 1068510833 /nfs/dbraw/zinc/51/08/33/1068510833.db2.gz FFNAZGDFCUXNJQ-SFHVURJKSA-N 0 3 463.468 3.513 20 0 JHADHN CCc1nnc(N2CCC(Cn3nc(C)cc3C)CC2)n1C[C@@H](c1cccc(OC)c1)N(C)C ZINC001306136458 1068539560 /nfs/dbraw/zinc/53/95/60/1068539560.db2.gz MUNOWGZNSUUUQD-DEOSSOPVSA-N 0 3 465.646 3.882 20 0 JHADHN CCc1nnc(N2CCC(OC(C)(C)C)CC2)n1C[C@H](C)N1CCN(c2ccccc2)CC1 ZINC001306146447 1068548998 /nfs/dbraw/zinc/54/89/98/1068548998.db2.gz NKDDJLOBEQNRHV-NRFANRHFSA-N 0 3 454.663 3.835 20 0 JHADHN CCc1nnc(N2CCC[C@H](OCC(F)(F)F)C2)n1C[C@H](c1cccc(OC)c1)N(C)C ZINC001306171218 1068565802 /nfs/dbraw/zinc/56/58/02/1068565802.db2.gz GEBIKOLEDJVQPI-RBUKOAKNSA-N 0 3 455.525 3.700 20 0 JHADHN CCc1nnc(N2CCN(CCC(C)(C)C)CC2)n1Cc1ccc(C)cc1N1CCOCC1 ZINC001306206785 1068598625 /nfs/dbraw/zinc/59/86/25/1068598625.db2.gz DWSFWZRUFPEMNV-UHFFFAOYSA-N 0 3 454.663 3.592 20 0 JHADHN CCc1nnc(N2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)n1C[C@H](C)CN1CCN(CC)CC1 ZINC001306216838 1068604110 /nfs/dbraw/zinc/60/41/10/1068604110.db2.gz ZVDFLPIIBIWTRI-GCJKJVERSA-N 0 3 495.499 3.999 20 0 JHADHN CCc1nnc(N2CCO[C@@H](c3cnn(CC)c3)C2)n1C[C@H](c1ccsc1)N(CC)CC ZINC001306219074 1068606730 /nfs/dbraw/zinc/60/67/30/1068606730.db2.gz NMQIAZAWQDLYHR-NHCUHLMSSA-N 0 3 457.648 3.779 20 0 JHADHN CC[C@@H]1[C@@H](C)CCN1c1nnc(Cc2csc(C)n2)n1C[C@H](C)CN1CCN(CC)CC1 ZINC001306271405 1068683845 /nfs/dbraw/zinc/68/38/45/1068683845.db2.gz DBQNBYMHGWQXJL-XQBPLPMBSA-N 0 3 459.708 3.532 20 0 JHADHN CC[C@@H]1[C@H](C)CCN1c1nnc(Cc2csc(C)n2)n1C[C@@H](C)CN1CCN(CC)CC1 ZINC001306271403 1068683901 /nfs/dbraw/zinc/68/39/01/1068683901.db2.gz DBQNBYMHGWQXJL-NNMXDRDESA-N 0 3 459.708 3.532 20 0 JHADHN CC[C@@H]1[C@@H](C)CCN1c1nnc(Cc2ccccc2OC)n1C[C@@H](C)N1CCN(CC)CC1 ZINC001306276661 1068689794 /nfs/dbraw/zinc/68/97/94/1068689794.db2.gz WPYJJSLSZYLMLJ-QZNHQXDQSA-N 0 3 454.663 3.528 20 0 JHADHN CC[C@@H]1C[C@H](C)CN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CCCN1CCCCC1 ZINC001306289248 1068706785 /nfs/dbraw/zinc/70/67/85/1068706785.db2.gz UYYRGDCIORFXOX-PZJWPPBQSA-N 0 3 459.660 3.849 20 0 JHADHN CC[C@@H]1C[C@H](C)CN1c1nnc(Cc2ccccc2OC)n1CCN1CCN(C)C(C)(C)C1 ZINC001306299029 1068715858 /nfs/dbraw/zinc/71/58/58/1068715858.db2.gz HLUXYLPOCUJKGF-RBBKRZOGSA-N 0 3 454.663 3.528 20 0 JHADHN CC[C@H]1CCCCN1CCn1c(-c2ccccc2Cl)nnc1N1CCC(S(C)(=O)=O)CC1 ZINC001306319384 1068745376 /nfs/dbraw/zinc/74/53/76/1068745376.db2.gz LABZXAKFTRARMT-SFHVURJKSA-N 0 3 480.078 3.876 20 0 JHADHN CC[C@H]1CCCCN1CCn1c(-c2ccccc2Cl)nnc1N(C)[C@H](C)CS(C)(=O)=O ZINC001306321064 1068751015 /nfs/dbraw/zinc/75/10/15/1068751015.db2.gz YLUBBJMCXSOTMI-MSOLQXFVSA-N 0 3 468.067 3.732 20 0 JHADHN CC[C@@H]1CCCCN1CCn1c(-c2ccccc2Cl)nnc1N(C)[C@@H](C)CS(C)(=O)=O ZINC001306321069 1068751088 /nfs/dbraw/zinc/75/10/88/1068751088.db2.gz YLUBBJMCXSOTMI-ZWKOTPCHSA-N 0 3 468.067 3.732 20 0 JHADHN CC[C@H]1CCCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H]2CCCN2CCCO)C1 ZINC001306325290 1068761961 /nfs/dbraw/zinc/76/19/61/1068761961.db2.gz MSIAEXNENHNSTD-JTHBVZDNSA-N 0 3 468.646 3.620 20 0 JHADHN CC[C@H]1CCCN1c1nnc(COc2cc(C)cc(C)c2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001306356434 1068791207 /nfs/dbraw/zinc/79/12/07/1068791207.db2.gz USELGHWXCKEQIF-UPVQGACJSA-N 0 3 482.673 3.795 20 0 JHADHN CC[C@H]1CN(c2nnc([C@H](C)OCCOC)n2CC2(N3CCSCC3)CCCC2)CCS1 ZINC001306397125 1068846827 /nfs/dbraw/zinc/84/68/27/1068846827.db2.gz AUEUYLYJUACJJH-PMACEKPBSA-N 0 3 483.748 3.696 20 0 JHADHN CC[C@H]1CN(c2nnc(COc3ccc(C)c(C)c3)n2CCN2CCN(C)C(C)(C)C2)CCS1 ZINC001306452376 1068972995 /nfs/dbraw/zinc/97/29/95/1068972995.db2.gz PCEQCHYKJKMSFY-QHCPKHFHSA-N 0 3 486.730 3.832 20 0 JHADHN COC(=O)c1cc(NC(=O)N[C@@H]2CCN(Cc3ccccc3)C2)cc(Br)c1F ZINC001310552904 1069013217 /nfs/dbraw/zinc/01/32/17/1069013217.db2.gz QHIQEQMGLRWTDV-CQSZACIVSA-N 0 3 450.308 3.771 20 0 JHADHN CCCC(=O)Nc1ccc(Cn2c(-c3cccn3C)nnc2N2CCN(C(C)(C)C)CC2)cc1 ZINC001306492812 1069032493 /nfs/dbraw/zinc/03/24/93/1069032493.db2.gz BBMPULXTORMKKO-UHFFFAOYSA-N 0 3 463.630 3.991 20 0 JHADHN CCN1CCN(c2cccc(NC(=O)N3CCC([C@H](C)NC(=O)OC(C)(C)C)CC3)c2)CC1 ZINC001310598104 1069042092 /nfs/dbraw/zinc/04/20/92/1069042092.db2.gz WDKYMAYYWMJTMR-IBGZPJMESA-N 0 3 459.635 3.986 20 0 JHADHN CCN(C(=O)c1cc(NC(=O)NC[C@H](C)CN2CCN(CC)CC2)ccc1Cl)C(C)C ZINC001310668895 1069098277 /nfs/dbraw/zinc/09/82/77/1069098277.db2.gz LZMWDVJAVFGBDA-SFHVURJKSA-N 0 3 452.043 3.606 20 0 JHADHN CN1CCN(Cc2ccc(CNC(=O)Nc3ncc(Cc4ccc(F)cc4)s3)cc2)CC1 ZINC001310695697 1069116980 /nfs/dbraw/zinc/11/69/80/1069116980.db2.gz RGNIAWXCLHOZPA-UHFFFAOYSA-N 0 3 453.587 3.942 20 0 JHADHN Cc1nc(NC(=O)NC(C)(C)CCN2CCN(C)CC2)sc1Cc1ccc(F)cc1F ZINC001310740139 1069143687 /nfs/dbraw/zinc/14/36/87/1069143687.db2.gz QFBCAHCSJRPRJV-UHFFFAOYSA-N 0 3 451.587 3.858 20 0 JHADHN COc1ccc([N-]S(=O)(=O)c2ccc(C)c(NC(=O)N3CCC[N@@H+]4CCC[C@H]4C3)c2)cc1 ZINC001310797754 1069167121 /nfs/dbraw/zinc/16/71/21/1069167121.db2.gz RRSFWSCKWMDOPB-IBGZPJMESA-N 0 3 458.584 3.506 20 0 JHADHN COc1ccc([N-]S(=O)(=O)c2ccc(C)c(NC(=O)N3CCC[N@H+]4CCC[C@H]4C3)c2)cc1 ZINC001310797754 1069167129 /nfs/dbraw/zinc/16/71/29/1069167129.db2.gz RRSFWSCKWMDOPB-IBGZPJMESA-N 0 3 458.584 3.506 20 0 JHADHN CNC(=O)c1cc(Oc2cccc(NC(=O)N[C@H]3CN(Cc4ccccc4)C[C@H]3C)c2)ccn1 ZINC001310818712 1069176689 /nfs/dbraw/zinc/17/66/89/1069176689.db2.gz JMMOZWXMHJGVJH-KOSHJBKYSA-N 0 3 459.550 3.876 20 0 JHADHN CCC[C@](C)(O)Cn1c(COc2ccccc2CC)nnc1N1CCN(C2CCOCC2)C[C@@H]1C ZINC001306546525 1069204047 /nfs/dbraw/zinc/20/40/47/1069204047.db2.gz ZHFJHRVJHUIJLQ-IDISGSTGSA-N 0 3 485.673 3.660 20 0 JHADHN CC[C@@H](CNC(=O)N[C@@H](CNC(=O)OC(C)(C)C)C(F)(F)F)N1CCc2ccccc2C1 ZINC001310932704 1069225990 /nfs/dbraw/zinc/22/59/90/1069225990.db2.gz VPQWOTRCHJWQCR-ROUUACIJSA-N 0 3 458.525 3.578 20 0 JHADHN CCC[C@@H](Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCN(CC(C)C)CC1)OC ZINC001306593282 1069263638 /nfs/dbraw/zinc/26/36/38/1069263638.db2.gz OXAKTZOEAXLPLK-HBMCJLEFSA-N 0 3 478.682 3.642 20 0 JHADHN O=C(NCC1(O)CCN(Cc2ccccc2)CC1)Nc1nnc(-c2c(F)cccc2F)s1 ZINC001311092677 1069270406 /nfs/dbraw/zinc/27/04/06/1069270406.db2.gz IPJMUADUWPEHPG-UHFFFAOYSA-N 0 3 459.522 3.632 20 0 JHADHN CC[C@@H](C)Oc1cccc(NC(=O)N2CCC[C@H](CN3CCN(c4ccccn4)CC3)C2)n1 ZINC001311128151 1069279837 /nfs/dbraw/zinc/27/98/37/1069279837.db2.gz RKSKXLNEUBHLCD-NHCUHLMSSA-N 0 3 452.603 3.720 20 0 JHADHN CCCc1nc(C)c(Cn2c(C(=O)NC(CC)CC)nnc2N2CCN(C3CCCC3)CC2)o1 ZINC001306609236 1069284901 /nfs/dbraw/zinc/28/49/01/1069284901.db2.gz LWUCVEXPJCMQLA-UHFFFAOYSA-N 0 3 471.650 3.558 20 0 JHADHN CCCc1nc(C)c(Cn2c(CC(C)(C)C)nnc2N2C[C@H](C)[C@H](N3CCCN(C(C)=O)CC3)C2)o1 ZINC001306612480 1069290691 /nfs/dbraw/zinc/29/06/91/1069290691.db2.gz QZNGFWIGNVNDMV-SIKLNZKXSA-N 0 3 499.704 3.543 20 0 JHADHN CCC[C@H]1CN(c2nnc(-c3ccc(Br)s3)n2C[C@H]2CCCO2)CCN1CCOC ZINC001306621066 1069308231 /nfs/dbraw/zinc/30/82/31/1069308231.db2.gz VVRFZQVMKYGZGB-DLBZAZTESA-N 0 3 498.491 3.885 20 0 JHADHN COCc1nc2scc(-c3ccccc3)c2c(N2CCN3C[C@@H](Oc4cncnc4)C[C@H]3C2)n1 ZINC001164737898 720785793 /nfs/dbraw/zinc/78/57/93/720785793.db2.gz DKOZQXPZUYGVOD-OALUTQOASA-N 0 3 474.590 3.637 20 0 JHADHN COCc1nc2scc(-c3ccccc3)c2c(N2CCN3C[C@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164737903 720786336 /nfs/dbraw/zinc/78/63/36/720786336.db2.gz DKOZQXPZUYGVOD-RTBURBONSA-N 0 3 474.590 3.637 20 0 JHADHN CC(C)N(C)Cc1cnc2n1CCN(c1cc(N3CCN(c4ccccc4F)CC3)ncn1)[C@@H]2C ZINC001164862263 721006306 /nfs/dbraw/zinc/00/63/06/721006306.db2.gz PMJGNEXZYHWGEH-HXUWFJFHSA-N 0 3 478.620 3.560 20 0 JHADHN O=C(Nc1cccc(Cl)c1)c1ccc(N2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)nc1 ZINC001164878923 721147993 /nfs/dbraw/zinc/14/79/93/721147993.db2.gz QVRFMEUPUUDBHH-DHIUTWEWSA-N 0 3 463.969 3.862 20 0 JHADHN Cn1cc(CN2CC[C@H]3CN(c4ncnc5cc(OCc6ccccc6)ccc54)C[C@@H]3C2)cn1 ZINC001164769777 721236545 /nfs/dbraw/zinc/23/65/45/721236545.db2.gz ZPQXHSBHFYBBOY-GOTSBHOMSA-N 0 3 454.578 3.901 20 0 JHADHN CN1CCN(C[C@H]2CCC[C@]3(CCN(c4ncccc4OCc4ccc(F)cc4)C3)O2)CC1 ZINC001164898346 721440326 /nfs/dbraw/zinc/44/03/26/721440326.db2.gz VSBWGKNUCRSCCG-ZEQKJWHPSA-N 0 3 454.590 3.565 20 0 JHADHN CCOC(=O)c1sc2ncnc(N3CCN4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)c2c1C ZINC001164896259 721509682 /nfs/dbraw/zinc/50/96/82/721509682.db2.gz ABIJWUDBHNDNHU-WMZOPIPTSA-N 0 3 456.543 3.657 20 0 JHADHN Fc1cccc(O[C@H]2C[C@H]3CN(c4nc(Cl)nc5c(Cl)nc(Cl)nc54)CCN3C2)c1 ZINC001164897593 721522927 /nfs/dbraw/zinc/52/29/27/721522927.db2.gz GACGCYBFUYACJT-AAEUAGOBSA-N 0 3 469.735 3.861 20 0 JHADHN COc1cc2nc(Cl)nc(N3CCN4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)c2cc1OC ZINC001164905186 721526470 /nfs/dbraw/zinc/52/64/70/721526470.db2.gz GIJPHSQHMPHFJT-RDJZCZTQSA-N 0 3 458.921 3.781 20 0 JHADHN CN(C)C(=O)c1cc2cnc(N3CCN4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)nc2n1C1CCCC1 ZINC001164908825 721534192 /nfs/dbraw/zinc/53/41/92/721534192.db2.gz QRZPRYBEYMGEHM-FYYLOGMGSA-N 0 3 492.599 3.729 20 0 JHADHN COC(=O)c1ccc2c(c1)nc(Cl)nc2N1CCN2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164903010 721535196 /nfs/dbraw/zinc/53/51/96/721535196.db2.gz BUPHUAOHLFCKLC-FUHWJXTLSA-N 0 3 456.905 3.551 20 0 JHADHN CS(=O)(=O)c1ccc(-c2noc(C3CCN(c4ccc(CN5CCCC5)cn4)CC3)n2)cc1 ZINC001165033773 721876888 /nfs/dbraw/zinc/87/68/88/721876888.db2.gz VUUZDNSFPJGYJJ-UHFFFAOYSA-N 0 3 467.595 3.515 20 0 JHADHN COC(=O)c1cc(C(F)(F)N2CCC3(CC2)COCCN(Cc2ccncc2)C3)cnc1Cl ZINC001164964986 722054361 /nfs/dbraw/zinc/05/43/61/722054361.db2.gz ZPOBXFANWXTEHG-UHFFFAOYSA-N 0 3 480.943 3.581 20 0 JHADHN FC(F)(c1nc(Cl)c2ccccc2n1)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164980772 722102697 /nfs/dbraw/zinc/10/26/97/722102697.db2.gz KJAGZRHGDCPZGY-XLIONFOSSA-N 0 3 459.928 3.950 20 0 JHADHN CSc1nc(Cl)cc(C(F)(F)N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)n1 ZINC001164979939 722102722 /nfs/dbraw/zinc/10/27/22/722102722.db2.gz IJSUMTPQKVRXPO-JKSUJKDBSA-N 0 3 455.962 3.519 20 0 JHADHN CC(C)(C)OC(=O)c1cnc(Cl)cc1N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164978410 722127360 /nfs/dbraw/zinc/12/73/60/722127360.db2.gz ONMRPXOCXNMTOS-RXVVDRJESA-N 0 3 458.990 3.813 20 0 JHADHN CCC[C@@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2Cc2cccc(O)c2)CCN1CCOC ZINC001306621385 1069310213 /nfs/dbraw/zinc/31/02/13/1069310213.db2.gz BVSQEBAAIHUMEI-HXUWFJFHSA-N 0 3 471.005 3.685 20 0 JHADHN CCC[C@@H]1CN(c2nnc(-c3cccc(C)n3)n2Cc2cccc(N(C)C)c2)CCN1CCOC ZINC001306622403 1069312582 /nfs/dbraw/zinc/31/25/82/1069312582.db2.gz BFFWOYOZEPRUHF-XMMPIXPASA-N 0 3 477.657 3.700 20 0 JHADHN C[C@](NC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1CO)(c1ccc(F)cc1)C(F)(F)F ZINC001311275531 1069313445 /nfs/dbraw/zinc/31/34/45/1069313445.db2.gz WVQIYONMMQAVHK-AGHHOFFYSA-N 0 3 453.480 3.785 20 0 JHADHN COCC(=O)N1CCCc2ccc(NC(=O)N[C@H](CN(C)Cc3ccccc3)C(C)C)cc21 ZINC001311291916 1069318047 /nfs/dbraw/zinc/31/80/47/1069318047.db2.gz ODKJBXOANJRLLZ-HSZRJFAPSA-N 0 3 452.599 3.890 20 0 JHADHN CCC[C@H]1CN(c2nnc(-c3cccc(C)n3)n2CC2(O)CCCCCC2)CCN1CCOC ZINC001306624781 1069318885 /nfs/dbraw/zinc/31/88/85/1069318885.db2.gz RAXREPHETZNUHH-QFIPXVFZSA-N 0 3 470.662 3.671 20 0 JHADHN CN(C)[C@H](CNC(=O)Nc1ccnc([C@H]2CCCN2C(=O)OC(C)(C)C)n1)c1ccccc1 ZINC001311327298 1069324875 /nfs/dbraw/zinc/32/48/75/1069324875.db2.gz QLRWNMMYUQYUFM-RTBURBONSA-N 0 3 454.575 3.973 20 0 JHADHN CCC[C@@H]1CN(c2nnc(CC(C)(C)C)n2Cc2cccc(C3OCCO3)c2)CCN1CCOC ZINC001306628145 1069325746 /nfs/dbraw/zinc/32/57/46/1069325746.db2.gz DQTUORNDUIUZQS-HSZRJFAPSA-N 0 3 485.673 3.898 20 0 JHADHN CCC[C@H]1CN(c2nnc(CC)n2Cc2c(C)nn(-c3ccccc3)c2C)CCN1CCOC ZINC001306628339 1069326179 /nfs/dbraw/zinc/32/61/79/1069326179.db2.gz YWHTZQNEMMNTHH-QHCPKHFHSA-N 0 3 465.646 3.628 20 0 JHADHN CCC[C@H]1CN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@H](C)N2CCN(CC)CC2)CCO1 ZINC001306632083 1069332921 /nfs/dbraw/zinc/33/29/21/1069332921.db2.gz JMEMUWYIICCSGD-ZCYQVOJMSA-N 0 3 484.689 3.505 20 0 JHADHN CCN1CCN(Cc2ccccc2CNC(=O)N[C@@H](C[C@H]2CCOC2)c2ccccc2)CC1 ZINC001311357875 1069342011 /nfs/dbraw/zinc/34/20/11/1069342011.db2.gz NRBCLMCSVAVIEX-GJZUVCINSA-N 0 3 450.627 3.791 20 0 JHADHN CCN1CCN(Cc2ccccc2CNC(=O)NC[C@H]2CCCc3cc(OC)ccc32)CC1 ZINC001311358335 1069342295 /nfs/dbraw/zinc/34/22/95/1069342295.db2.gz RJDMTIARPOZLMG-HSZRJFAPSA-N 0 3 450.627 3.752 20 0 JHADHN CCN1CCN(Cc2ccccc2CNC(=O)N2CCC(Oc3cccc(F)c3)CC2)CC1 ZINC001311358900 1069343027 /nfs/dbraw/zinc/34/30/27/1069343027.db2.gz UYHLOZSUSMJQAH-UHFFFAOYSA-N 0 3 454.590 3.716 20 0 JHADHN Cc1cccc(N2CCN(CCCCNC(=O)N3C[C@@H](C)O[C@H](CC(F)(F)F)C3)CC2)c1 ZINC001311381747 1069354533 /nfs/dbraw/zinc/35/45/33/1069354533.db2.gz UCWHUKAMDVJSMN-TZIWHRDSSA-N 0 3 456.553 3.649 20 0 JHADHN CCC[C@H]1CN(c2nnc(-c3ccccc3Cl)n2CCc2ccn(C)n2)CCN1CCOC ZINC001306647330 1069358102 /nfs/dbraw/zinc/35/81/02/1069358102.db2.gz NHWYLQYTAVPIPN-FQEVSTJZSA-N 0 3 472.037 3.512 20 0 JHADHN CCC[C@@H]1CN(c2nnc(-c3ccccc3Br)n2CC2(O)CCC2)CCN1CCOC ZINC001306649423 1069359893 /nfs/dbraw/zinc/35/98/93/1069359893.db2.gz SRXYZMDFQGNXHK-GOSISDBHSA-N 0 3 492.462 3.560 20 0 JHADHN CCCCCn1c(COc2ccccc2F)nnc1N1C[C@@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 ZINC001306655101 1069367003 /nfs/dbraw/zinc/36/70/03/1069367003.db2.gz GDUYIGABCQMXSI-NFBKMPQASA-N 0 3 486.636 3.565 20 0 JHADHN CCc1cc(CNC(=O)NCCCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)on1 ZINC001311451542 1069384746 /nfs/dbraw/zinc/38/47/46/1069384746.db2.gz GZYWRWXDIUQDTI-UHFFFAOYSA-N 0 3 453.509 3.657 20 0 JHADHN COC(=O)c1ccc(CCNC(=O)N(CCN(C)C)Cc2ccc(C(F)(F)F)cc2)cc1 ZINC001311453065 1069385980 /nfs/dbraw/zinc/38/59/80/1069385980.db2.gz 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468.617 3.591 20 0 JHADHN CCOC(=O)c1c2c(sc1NC(=O)CN[C@H]1CCCC[C@H]1C(=O)OCC)C[C@@H](C)CC2 ZINC001307771051 1070177027 /nfs/dbraw/zinc/17/70/27/1070177027.db2.gz XVUMHMGZURCJFB-UXLLHSPISA-N 0 3 450.601 3.700 20 0 JHADHN CCOC(=O)c1c(C)c(C(=O)Nc2ccccc2)sc1NC(=O)CN[C@@H]1CCOC1(C)C ZINC001307776085 1070178656 /nfs/dbraw/zinc/17/86/56/1070178656.db2.gz ICEROAKOBCXGJT-MRXNPFEDSA-N 0 3 459.568 3.581 20 0 JHADHN C[C@@H](NC(=O)N1CC2(CCCC2)OC[C@@H]1CN(C)C)[C@@H]1C[C@H](C(=O)OC(C)(C)C)C1(C)C ZINC001312925309 1070183565 /nfs/dbraw/zinc/18/35/65/1070183565.db2.gz ICCWDLWZIHWQSS-FUMNGEBKSA-N 0 3 451.652 3.664 20 0 JHADHN CCOCc1nnc(N2CCC[C@H](C[C@@H]3CCOC3)C2)n1C[C@@H](c1ccc(F)cc1)N(C)C ZINC001314365347 1070195095 /nfs/dbraw/zinc/19/50/95/1070195095.db2.gz KEFQJFPWUFNRKV-QTEQDKRBSA-N 0 3 459.610 3.900 20 0 JHADHN CCN1CCN(c2ccc(NC(=O)CN[C@H](c3ccccc3)[C@@H](O)c3ccccc3)cc2)CC1 ZINC001307812085 1070195269 /nfs/dbraw/zinc/19/52/69/1070195269.db2.gz FAWHUKAOQKLJMO-IZLXSDGUSA-N 0 3 458.606 3.832 20 0 JHADHN COCc1ccc(CNC(=O)CN[C@@H]2CN(Cc3ccccc3)C[C@H]2c2cccc(F)c2)cc1 ZINC001307831009 1070204202 /nfs/dbraw/zinc/20/42/02/1070204202.db2.gz RKCBPIYMCLFKPY-RRPNLBNLSA-N 0 3 461.581 3.846 20 0 JHADHN CC(C)N(CC(=O)Nc1sc2c(c1C(N)=O)CCCC2)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001307870325 1070218221 /nfs/dbraw/zinc/21/82/21/1070218221.db2.gz MPFWPEOUUSPANG-LJQANCHMSA-N 0 3 454.640 3.649 20 0 JHADHN CCOCc1nnc(N2CCN(C(=O)OC(C)(C)C)CC2)n1C[C@@H](c1cccs1)N1CCCC1 ZINC001314384251 1070228012 /nfs/dbraw/zinc/22/80/12/1070228012.db2.gz CLYHRQRSQCUHHW-IBGZPJMESA-N 0 3 490.674 3.770 20 0 JHADHN CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]([C@@H]2CCCCN2C[C@@H]2CN(c3ccccc3)C(=O)O2)C1 ZINC001307885052 1070224904 /nfs/dbraw/zinc/22/49/04/1070224904.db2.gz FPKAXGSZZQCJFU-YJMBLLCNSA-N 0 3 459.587 3.939 20 0 JHADHN CN(C)[C@H](CNC(=O)CN1CCc2[nH]c3ccc(Br)cc3c2C1)c1ccccc1 ZINC001307911082 1070235835 /nfs/dbraw/zinc/23/58/35/1070235835.db2.gz VNWFIBRXJNKKIT-JOCHJYFZSA-N 0 3 455.400 3.708 20 0 JHADHN Cc1nn(C)c(=O)c(-c2nc(CN3CCN(Cc4ccccc4)[C@H](C(C)C)C3)cs2)c1C ZINC001307931127 1070247814 /nfs/dbraw/zinc/24/78/14/1070247814.db2.gz OUYSFVHDABBREM-QFIPXVFZSA-N 0 3 451.640 3.863 20 0 JHADHN CCOCc1nnc(N2CCN(C3CCCCC3)CC2)n1C[C@](O)(c1ccccc1)C(F)(F)F ZINC001314390990 1070245380 /nfs/dbraw/zinc/24/53/80/1070245380.db2.gz QHVWVDOKGWVJKU-QHCPKHFHSA-N 0 3 481.563 3.719 20 0 JHADHN CCOCc1nnc(N2CCN(C3CCCCC3)CC2)n1C[C@@](O)(c1ccccc1)C(F)(F)F ZINC001314390987 1070245432 /nfs/dbraw/zinc/24/54/32/1070245432.db2.gz QHVWVDOKGWVJKU-HSZRJFAPSA-N 0 3 481.563 3.719 20 0 JHADHN COCCOc1ccc(CNC(=O)CN2CC(C)(C)N(Cc3ccccc3)CC2(C)C)cc1 ZINC001307964595 1070260768 /nfs/dbraw/zinc/26/07/68/1070260768.db2.gz IRDJURHQKRRQJA-UHFFFAOYSA-N 0 3 453.627 3.703 20 0 JHADHN CCOc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CN[C@H](C)c1ccccc1C ZINC001307971927 1070264013 /nfs/dbraw/zinc/26/40/13/1070264013.db2.gz YSSFLOUZABREIE-LJQANCHMSA-N 0 3 459.612 3.858 20 0 JHADHN CCOCc1nnc(N2CCS[C@H](C)[C@@H]2C)n1C[C@H](c1ccc(OC)cc1)N1CCCC1 ZINC001314411806 1070278179 /nfs/dbraw/zinc/27/81/79/1070278179.db2.gz NINCBIMUSBIFHP-NNMXDRDESA-N 0 3 459.660 3.991 20 0 JHADHN Cc1ccc(CN2CC[C@@H](NC(=O)N[C@@H](CO)c3ccc(Br)c(F)c3)C2)cc1 ZINC001313184037 1070285113 /nfs/dbraw/zinc/28/51/13/1070285113.db2.gz CULBVEZZJMGJKZ-XLIONFOSSA-N 0 3 450.352 3.504 20 0 JHADHN O=C(CN[C@@H]1CC=CC[C@H]1C(F)(F)F)N1CCN(c2ncc(C(F)(F)F)cc2Cl)CC1 ZINC001308028019 1070285703 /nfs/dbraw/zinc/28/57/03/1070285703.db2.gz OCQCUTKGVWVSPF-UKRRQHHQSA-N 0 3 470.845 3.889 20 0 JHADHN CCCN(CCN1CCCCC1)C(=O)N[C@@H]1CCc2cc(Br)ccc2NC1=O ZINC001313204465 1070292403 /nfs/dbraw/zinc/29/24/03/1070292403.db2.gz ZIZLBJUSEQYWPD-LJQANCHMSA-N 0 3 451.409 3.610 20 0 JHADHN Cc1ccccc1CN1CCCN(C(=O)N[C@H]2COc3cccc(Br)c3C2)CC1 ZINC001313198409 1070290179 /nfs/dbraw/zinc/29/01/79/1070290179.db2.gz UMAIUHWWVPTMQE-LJQANCHMSA-N 0 3 458.400 3.979 20 0 JHADHN CCOC[C@H]1CCCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H]2N(C)CCCC2(C)C)C1 ZINC001314420764 1070291394 /nfs/dbraw/zinc/29/13/94/1070291394.db2.gz WNWDQAHGCXWOAI-PZJWPPBQSA-N 0 3 462.683 3.570 20 0 JHADHN CCOC[C@@H]1CCCN(c2nnc(C(=O)NC(CC)CC)n2C[C@H]2N(C)CCCC2(C)C)C1 ZINC001314420765 1070291578 /nfs/dbraw/zinc/29/15/78/1070291578.db2.gz WNWDQAHGCXWOAI-TZIWHRDSSA-N 0 3 462.683 3.570 20 0 JHADHN CCCN(CCN1CCCCC1)C(=O)N[C@H]1CCc2cc(Br)ccc2NC1=O ZINC001313204464 1070292379 /nfs/dbraw/zinc/29/23/79/1070292379.db2.gz ZIZLBJUSEQYWPD-IBGZPJMESA-N 0 3 451.409 3.610 20 0 JHADHN Cc1nn(Cc2ccc(Cl)cc2)c(C)c1CN1CCC[C@@H](C(=O)N[C@@H]2CCC[C@@H](O)C2)C1 ZINC001308061869 1070297527 /nfs/dbraw/zinc/29/75/27/1070297527.db2.gz JVXCNEYJOHWBBF-YMPZKCBVSA-N 0 3 459.034 3.833 20 0 JHADHN CCOC[C@H]1CCCN(c2nnc(-c3ccc[nH]3)n2C[C@@H](c2cccc(OC)c2)N(C)C)C1 ZINC001314421762 1070294937 /nfs/dbraw/zinc/29/49/37/1070294937.db2.gz PTKWOECNNLSXHU-CVDCTZTESA-N 0 3 452.603 3.838 20 0 JHADHN COC(=O)[C@@H](NC[C@@H]1CN(Cc2ccccc2)CCCO1)c1ccccc1OC(F)(F)F ZINC001308082155 1070306950 /nfs/dbraw/zinc/30/69/50/1070306950.db2.gz DEZHBVHGGIGVOJ-NQIIRXRSSA-N 0 3 452.473 3.680 20 0 JHADHN O=C(NCCNC(c1ccccc1)c1ccccc1)NCc1nc(Cc2ccccc2F)no1 ZINC001313285795 1070316378 /nfs/dbraw/zinc/31/63/78/1070316378.db2.gz PCLVSIDKWBHLLN-UHFFFAOYSA-N 0 3 459.525 3.978 20 0 JHADHN Cn1cc([C@@H]2CSCCCN2C[C@H]2CC3(CO2)CCN(C(=O)OC(C)(C)C)CC3)cn1 ZINC001308115895 1070317979 /nfs/dbraw/zinc/31/79/79/1070317979.db2.gz QXOYQQFXIDXOBE-UXHICEINSA-N 0 3 450.649 3.706 20 0 JHADHN CCOCCCCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001314451163 1070347824 /nfs/dbraw/zinc/34/78/24/1070347824.db2.gz HYHBXLAKWWAMRJ-UHFFFAOYSA-N 0 3 453.429 3.773 20 0 JHADHN CC1(C)Oc2ccsc2[C@@H](NC(=O)NCCNC(c2ccccc2)c2ccccc2)[C@@H]1O ZINC001313396523 1070347967 /nfs/dbraw/zinc/34/79/67/1070347967.db2.gz ITYNFPDVOIBCIN-GGAORHGYSA-N 0 3 451.592 4.000 20 0 JHADHN CCOCCCCn1c(-c2ccccc2Cl)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001314449498 1070344477 /nfs/dbraw/zinc/34/44/77/1070344477.db2.gz CKJKCCXYPKYBRL-UHFFFAOYSA-N 0 3 462.038 3.964 20 0 JHADHN CC(C)(C)OC(=O)N1CCC2(CC1)C[C@@H](N[C@H](CC(N)=O)c1ccccc1Cl)CCO2 ZINC001308351526 1070360145 /nfs/dbraw/zinc/36/01/45/1070360145.db2.gz VATWCEXMWWRWNE-QFBILLFUSA-N 0 3 451.995 3.795 20 0 JHADHN CCCN1CCC[C@H]1Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(C)[C@@H]1CCS(=O)(=O)C1 ZINC001313446738 1070364555 /nfs/dbraw/zinc/36/45/55/1070364555.db2.gz FELCWVGPEGYPJQ-FCHUYYIVSA-N 0 3 473.687 3.740 20 0 JHADHN CCOc1cccc(CN[C@@H]2CCCN(S(=O)(=O)c3ccc(Br)cc3)C2)c1 ZINC001308392728 1070367376 /nfs/dbraw/zinc/36/73/76/1070367376.db2.gz MGAHIUQIRWZBDS-GOSISDBHSA-N 0 3 453.402 3.791 20 0 JHADHN CCOc1cc(CN[C@@H]2CCCC[C@H]2NS(=O)(=O)C2CC2)ccc1OCC(F)(F)F ZINC001308479198 1070380327 /nfs/dbraw/zinc/38/03/27/1070380327.db2.gz GGZUMSMQPQNHJD-IAGOWNOFSA-N 0 3 450.523 3.509 20 0 JHADHN CN1CCN(CCCOc2ccc(NCc3nc(C(F)(F)F)n4c3CCCC4)cc2)CC1 ZINC001308458846 1070378287 /nfs/dbraw/zinc/37/82/87/1070378287.db2.gz ZTSRHBSKIPTDFI-UHFFFAOYSA-N 0 3 451.537 3.867 20 0 JHADHN COc1c(Br)cc(Br)cc1CN[C@@H]1CCO[C@H]1c1ccc(=O)[nH]c1 ZINC001308486926 1070381093 /nfs/dbraw/zinc/38/10/93/1070381093.db2.gz COXROEOZLKMNKJ-PBHICJAKSA-N 0 3 458.150 3.941 20 0 JHADHN CCCN1CCC[C@H]1Cn1c(COCC)nnc1N1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC001313453110 1070384607 /nfs/dbraw/zinc/38/46/07/1070384607.db2.gz PGEFWTOGUFAHPR-IRLDBZIGSA-N 0 3 457.594 3.927 20 0 JHADHN Cc1c(C[C@@H](CNC(=O)OC(C)(C)C)CN2CCN(c3cc(C)ccc3C)CC2)cnn1C ZINC001308648251 1070409196 /nfs/dbraw/zinc/40/91/96/1070409196.db2.gz GHRDKDUZUBVQQI-QFIPXVFZSA-N 0 3 455.647 3.851 20 0 JHADHN CC(C)(C)OC(=O)N[C@@H]1C[C@H](NCc2ccc(S(C)(=O)=O)c(C(F)(F)F)c2)C1(C)C ZINC001308727384 1070426813 /nfs/dbraw/zinc/42/68/13/1070426813.db2.gz TWTYPFRYIZLKTE-JKSUJKDBSA-N 0 3 450.523 3.890 20 0 JHADHN COC(=O)[C@@H]1[C@@H](CN[C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2c2ccc(OC)c(F)c2)C1(F)F ZINC001308861358 1070450791 /nfs/dbraw/zinc/45/07/91/1070450791.db2.gz XWTOWRCTPPLBRT-HIRMHNASSA-N 0 3 472.504 3.571 20 0 JHADHN COC(=O)c1ccccc1-c1ccc(CNC[C@@H]2CCC3(CN(C(=O)OC(C)(C)C)C3)O2)o1 ZINC001308868372 1070451540 /nfs/dbraw/zinc/45/15/40/1070451540.db2.gz ADXQBWPFEWBJRG-SFHVURJKSA-N 0 3 456.539 3.991 20 0 JHADHN CCS(=O)(=O)C[C@H](C)N(C)c1nnc(-c2c[nH]c3ccccc23)n1C[C@@H]1CCCN(C(C)C)C1 ZINC001314519058 1070500224 /nfs/dbraw/zinc/50/02/24/1070500224.db2.gz NNMPCXCRYYPYLX-VQTJNVASSA-N 0 3 486.686 3.806 20 0 JHADHN CCS(=O)(=O)CCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC(C)(C)N1CCC[C@@H](C)C1 ZINC001314530375 1070523297 /nfs/dbraw/zinc/52/32/97/1070523297.db2.gz VALWPTQULDDHIM-NJDAHSKKSA-N 0 3 497.750 3.578 20 0 JHADHN CCCOc1ccc(-c2nnc(N3C[C@H](C)N(CC)C[C@H]3C)n2Cc2cc(C)nn2C)cc1OC ZINC001313501745 1070525745 /nfs/dbraw/zinc/52/57/45/1070525745.db2.gz HGSCBMMIYSKFQA-VQTJNVASSA-N 0 3 481.645 3.752 20 0 JHADHN CCS[C@@H](C)c1noc(CN(C)c2nnc(-c3ccc(C)o3)n2CCN2CC=CCC2)n1 ZINC001314576826 1070585028 /nfs/dbraw/zinc/58/50/28/1070585028.db2.gz LDRFPMJQYBAQTA-KRWDZBQOSA-N 0 3 457.604 3.942 20 0 JHADHN CCS[C@H](C)c1noc(CN(C)c2nnc(-c3ccc(C)o3)n2CCN2CC=CCC2)n1 ZINC001314576829 1070585114 /nfs/dbraw/zinc/58/51/14/1070585114.db2.gz LDRFPMJQYBAQTA-QGZVFWFLSA-N 0 3 457.604 3.942 20 0 JHADHN CCS[C@@H]1CC[C@H](N(C)c2nnc(Cc3csc(C)n3)n2C[C@@H](C)N2CCN(CC)CC2)C1 ZINC001314593794 1070629686 /nfs/dbraw/zinc/62/96/86/1070629686.db2.gz GZBMAJFDNCQKLI-BVYCBKJFSA-N 0 3 491.775 3.770 20 0 JHADHN CCN(C[C@@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1ccc(-n2cc(C)cn2)c(F)c1 ZINC001309246911 1070641457 /nfs/dbraw/zinc/64/14/57/1070641457.db2.gz NZPILOQRCAZZDX-OAQYLSRUSA-N 0 3 456.587 3.853 20 0 JHADHN CCS[C@H]1CCCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCN(C)C2CCCCC2)C1 ZINC001314603597 1070658652 /nfs/dbraw/zinc/65/86/52/1070658652.db2.gz MBPCCJIIYFJKIT-FPOVZHCZSA-N 0 3 483.748 3.557 20 0 JHADHN CCSCCCn1c(C(=O)Nc2ccccn2)nnc1N1CCCN(Cc2ccccc2)CC1 ZINC001314610673 1070674443 /nfs/dbraw/zinc/67/44/43/1070674443.db2.gz HAZKQWXJUIMWPA-UHFFFAOYSA-N 0 3 479.654 3.781 20 0 JHADHN CC(C)(O)[C@@H]1CCCN1S(=O)(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1 ZINC001309328327 1070702806 /nfs/dbraw/zinc/70/28/06/1070702806.db2.gz AUXIFLIRXQVNPO-ZRBLBEILSA-N 0 3 463.043 3.873 20 0 JHADHN CCN(c1nnc([C@@]2(OC(C)C)CCOC2)n1C[C@H]1CN(Cc2ccccc2)CCCO1)C(C)C ZINC001313583549 1070705946 /nfs/dbraw/zinc/70/59/46/1070705946.db2.gz VVEPXWKJHUZRTB-SHQCIBLASA-N 0 3 485.673 3.845 20 0 JHADHN CCN(c1nnc(-c2ccc(Cl)cc2)n1C[C@H]1CCCN(C(C)C)C1)[C@H]1CCS(=O)(=O)C1 ZINC001313587678 1070714183 /nfs/dbraw/zinc/71/41/83/1070714183.db2.gz LJGOUUFEPIKIII-RXVVDRJESA-N 0 3 480.078 3.732 20 0 JHADHN CN(C)C(=O)[C@H]1CCCN1CCCn1c(CC(C)(C)C)nnc1N(C)Cc1cc2ccccc2[nH]1 ZINC001314628538 1070724129 /nfs/dbraw/zinc/72/41/29/1070724129.db2.gz KALUCYMAOKLUCU-HSZRJFAPSA-N 0 3 479.673 3.927 20 0 JHADHN CN(C)C(=O)[C@H]1CCCN1CCCn1c(C2CC2)nnc1N(C)Cc1ccc(C(F)(F)F)cc1 ZINC001314630371 1070730617 /nfs/dbraw/zinc/73/06/17/1070730617.db2.gz XYJNODIYDXCGEP-HXUWFJFHSA-N 0 3 478.563 3.753 20 0 JHADHN CN(C)C(=O)[C@@H]1CCCN1CCCn1c(N2CCC[C@H](Oc3ccccc3)C2)nnc1C(C)(C)C ZINC001314629134 1070726092 /nfs/dbraw/zinc/72/60/92/1070726092.db2.gz NHRLCXJRIMOQAG-GOTSBHOMSA-N 0 3 482.673 3.566 20 0 JHADHN CCN(c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN(CC(C)C)C1)[C@@H](C)C1CCC1 ZINC001313603029 1070726342 /nfs/dbraw/zinc/72/63/42/1070726342.db2.gz DWVOCEAZQUAUDO-JAXLGGSGSA-N 0 3 465.708 3.563 20 0 JHADHN CN(C)C(=O)[C@H]1CCCN1CCCn1c(Cc2c(F)cccc2F)nnc1N1CCCCCCC1 ZINC001314629648 1070728029 /nfs/dbraw/zinc/72/80/29/1070728029.db2.gz RABXHDIYJQESGX-HSZRJFAPSA-N 0 3 488.627 3.860 20 0 JHADHN CN(C)C(=O)[C@@H]1CCCN1CCCn1c(CC(C)(C)C)nnc1N1C[C@@H]2CCCCCC[C@H]21 ZINC001314630319 1070730859 /nfs/dbraw/zinc/73/08/59/1070730859.db2.gz XCNGKMPGVXPGKM-BDTNDASRSA-N 0 3 458.695 3.968 20 0 JHADHN CN(C)C(=O)[C@@H]1CCCN1CCCn1c(CCc2ccccc2)nnc1N1CCCCCCC1 ZINC001314630539 1070731227 /nfs/dbraw/zinc/73/12/27/1070731227.db2.gz YRYDSFHMVGYPCK-DEOSSOPVSA-N 0 3 466.674 3.777 20 0 JHADHN CN(C)[C@@H](Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@H](C(N)=O)C1)c1ccsc1 ZINC001314648880 1070753792 /nfs/dbraw/zinc/75/37/92/1070753792.db2.gz PJQZPKASYLQMRV-LPHOPBHVSA-N 0 3 459.019 3.665 20 0 JHADHN CN(C)[C@H](Cn1c(-c2cnccn2)nnc1N1CCC([C@](C)(O)C(F)(F)F)CC1)c1cccs1 ZINC001314650808 1070759217 /nfs/dbraw/zinc/75/92/17/1070759217.db2.gz UFAKNWBWJRTMRG-UTKZUKDTSA-N 0 3 495.575 3.629 20 0 JHADHN CN(C)[C@@H](Cn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N(C)[C@@H]1CCOC1)c1ccc(F)cc1 ZINC001314651173 1070760677 /nfs/dbraw/zinc/76/06/77/1070760677.db2.gz AWNICYOIFWBORV-YUMYIRISSA-N 0 3 459.610 3.864 20 0 JHADHN CN(C)[C@H](Cn1c(CC(C)(C)C)nnc1N1CCN(CC2CC2)CC1)c1c(F)cccc1F ZINC001314654326 1070768303 /nfs/dbraw/zinc/76/83/03/1070768303.db2.gz FZCCKRYKTWVKMD-OAQYLSRUSA-N 0 3 460.617 3.980 20 0 JHADHN CN(C)[C@H](Cn1c(N2CCO[C@@H](CNC(=O)OC(C)(C)C)C2)nnc1C(C)(C)C)c1ccccc1 ZINC001314654662 1070769590 /nfs/dbraw/zinc/76/95/90/1070769590.db2.gz VQHQHXBUTLJBQJ-LEWJYISDSA-N 0 3 486.661 3.608 20 0 JHADHN CN(C)[C@@H](Cn1c(CC2CCCC2)nnc1N1CCC(CCC(N)=O)CC1)c1ccc(F)cc1 ZINC001314655398 1070772217 /nfs/dbraw/zinc/77/22/17/1070772217.db2.gz PZBIJODGDIQHBL-QHCPKHFHSA-N 0 3 470.637 3.935 20 0 JHADHN CCN(CC)[C@@H](C)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 ZINC001313661583 1070868289 /nfs/dbraw/zinc/86/82/89/1070868289.db2.gz YDWXJYNVSBQLNS-FPOVZHCZSA-N 0 3 484.670 3.627 20 0 JHADHN CCN(CC)[C@H](Cn1c(C(C)C)nnc1N1CCN(Cc2cscn2)CC1)c1ccco1 ZINC001313663729 1070873482 /nfs/dbraw/zinc/87/34/82/1070873482.db2.gz HACZSEBZXMOZML-HXUWFJFHSA-N 0 3 457.648 3.856 20 0 JHADHN CCN(CC)[C@@H](Cn1c(C)nnc1N1Cc2c(OC)ccc(OC)c2[C@@H](O)C1)c1ccsc1 ZINC001313663931 1070875258 /nfs/dbraw/zinc/87/52/58/1070875258.db2.gz ISHGSBZZVJWRGT-PMACEKPBSA-N 0 3 471.627 3.802 20 0 JHADHN CCN(CC)[C@H](Cn1c(C)nnc1N1CCC[C@H](C(=O)Nc2ccc(C)cn2)C1)c1ccco1 ZINC001313666864 1070886259 /nfs/dbraw/zinc/88/62/59/1070886259.db2.gz YFJPBIBSCOOHQQ-LEWJYISDSA-N 0 3 465.602 3.821 20 0 JHADHN CCN(CC)[C@@H](C)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 ZINC001313668398 1070891959 /nfs/dbraw/zinc/89/19/59/1070891959.db2.gz QMBDMTRPONOJAK-RXVVDRJESA-N 0 3 498.093 3.644 20 0 JHADHN CCN(CC)[C@@H](Cn1c(C2CCC2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C)c1ccco1 ZINC001313670655 1070897328 /nfs/dbraw/zinc/89/73/28/1070897328.db2.gz BBIJBGGPZRDPHF-CTNGQTDRSA-N 0 3 456.635 3.915 20 0 JHADHN CCN(CC)[C@H](Cn1c(C2CCC2)nnc1N1CCN(CC(C)C)C(=O)[C@H]1C)c1ccco1 ZINC001313670658 1070897470 /nfs/dbraw/zinc/89/74/70/1070897470.db2.gz BBIJBGGPZRDPHF-TZIWHRDSSA-N 0 3 456.635 3.915 20 0 JHADHN CCN(CC)[C@H](Cn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)C(C)C)CC1)c1ccco1 ZINC001313672839 1070904878 /nfs/dbraw/zinc/90/48/78/1070904878.db2.gz PQCPVAHHOFZLPQ-JOCHJYFZSA-N 0 3 479.629 3.629 20 0 JHADHN CCN(CC)[C@@H](Cn1c(C)nnc1N1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1)c1ccco1 ZINC001313673668 1070908406 /nfs/dbraw/zinc/90/84/06/1070908406.db2.gz KRXODEOXQGBNHE-ZCNNSNEGSA-N 0 3 458.607 3.566 20 0 JHADHN CCN(CC)[C@@H](Cn1c(COc2cccc(C)c2)nnc1N1CC(=O)N(C)[C@@H](C)C1)c1ccco1 ZINC001313674493 1070912072 /nfs/dbraw/zinc/91/20/72/1070912072.db2.gz KEONDLBBZKCMOJ-UNMCSNQZSA-N 0 3 480.613 3.509 20 0 JHADHN CCN(CC)[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](C(F)F)C1)c1ccsc1 ZINC001313675443 1070916468 /nfs/dbraw/zinc/91/64/68/1070916468.db2.gz ZGSLNMSJNCNGKG-CGTJXYLNSA-N 0 3 466.602 3.855 20 0 JHADHN CN(C)[C@@H](Cn1c(-c2cnn(C)c2)nnc1N(C)Cc1cc(Cl)ccn1)c1cccc(F)c1 ZINC001314720931 1070916612 /nfs/dbraw/zinc/91/66/12/1070916612.db2.gz HMVKHQJGOBRLIV-NRFANRHFSA-N 0 3 468.968 3.805 20 0 JHADHN CCN(CC)[C@@H](Cn1c(CC(C)(C)C)nnc1N1CC[C@@](C)(C(=O)NC)C1)c1ccsc1 ZINC001313678348 1070929223 /nfs/dbraw/zinc/92/92/23/1070929223.db2.gz NXMZFRZEIQYDBL-YADARESESA-N 0 3 460.692 3.974 20 0 JHADHN CCN(CC)[C@@H](Cn1c(Cc2cccnc2)nnc1N1CCC[C@H](NC(C)=O)C1)c1ccsc1 ZINC001313681773 1070941965 /nfs/dbraw/zinc/94/19/65/1070941965.db2.gz ZRENHWHRSDAEIG-GOTSBHOMSA-N 0 3 481.670 3.513 20 0 JHADHN CCN(CC)[C@@H](Cn1c(Cc2ccccc2C)nnc1N1CCC[C@H](C(=O)NC)C1)c1ccco1 ZINC001313681753 1070942027 /nfs/dbraw/zinc/94/20/27/1070942027.db2.gz ZAIYWVIYVGACGB-GOTSBHOMSA-N 0 3 478.641 3.816 20 0 JHADHN CN(Cc1ccc(Cl)s1)c1nnc([C@H]2CCCCO2)n1CCN1CCN(C)C(C)(C)C1 ZINC001314731593 1070950510 /nfs/dbraw/zinc/95/05/10/1070950510.db2.gz OSOCOPRRHNWRTL-GOSISDBHSA-N 0 3 467.083 3.897 20 0 JHADHN CN(C)[C@H](Cn1c(CC2CC2)nnc1N(C)Cc1ccc([S@](C)=O)cc1)c1cccs1 ZINC001314737433 1070966441 /nfs/dbraw/zinc/96/64/41/1070966441.db2.gz MSNFSCTWQZMEOL-QJWGWKRISA-N 0 3 457.669 3.969 20 0 JHADHN CN(C)[C@H](Cn1c([C@@H]2CCCOC2)nnc1N(C)Cc1ccc([S@](C)=O)cc1)c1cccs1 ZINC001314738548 1070969556 /nfs/dbraw/zinc/96/95/56/1070969556.db2.gz YJGSGHSZINCUSE-AMFYMDPBSA-N 0 3 487.695 3.910 20 0 JHADHN CCN(CC)CC(=O)N1CCN(c2nnc(Cc3ccccc3C)n2C[C@H]2CCC[C@@H]2C)CC1 ZINC001313699280 1070973236 /nfs/dbraw/zinc/97/32/36/1070973236.db2.gz WFPULXXXSQUIFD-LADGPHEKSA-N 0 3 466.674 3.604 20 0 JHADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccc(Cl)cc3Cl)n2Cc2ccoc2)CC1 ZINC001313699498 1070974102 /nfs/dbraw/zinc/97/41/02/1070974102.db2.gz KMLIJSBTGQWGTJ-UHFFFAOYSA-N 0 3 491.423 3.884 20 0 JHADHN CCN(CC)CC(=O)N1CCN(c2nnc(C(C)C)n2CC2CCC(C(F)(F)F)CC2)CC1 ZINC001313700545 1070977431 /nfs/dbraw/zinc/97/74/31/1070977431.db2.gz HGXHWTZUNQESBJ-UHFFFAOYSA-N 0 3 472.600 3.761 20 0 JHADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@@H]3COc4ccccc4O3)n2CCCC(C)(C)C)CC1 ZINC001313705163 1070991619 /nfs/dbraw/zinc/99/16/19/1070991619.db2.gz RFKFGKWYHAALIR-QHCPKHFHSA-N 0 3 498.672 3.607 20 0 JHADHN CCN(Cc1c(F)cccc1F)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1N(C)CCCC1(C)C ZINC001313727229 1071036803 /nfs/dbraw/zinc/03/68/03/1071036803.db2.gz ZNQMATLKPWBAIA-NRFANRHFSA-N 0 3 474.600 3.939 20 0 JHADHN CC(=O)c1cccc(NC(=O)N2C[C@H]3CC[C@@H](C2)N3C2CCN(C(=O)OC(C)(C)C)CC2)c1 ZINC001309987365 1071040288 /nfs/dbraw/zinc/04/02/88/1071040288.db2.gz SFSPTZUOYIPPGE-SZPZYZBQSA-N 0 3 456.587 3.969 20 0 JHADHN CN(C)[C@H](Cn1c(-c2ccccn2)nnc1N(C)Cc1ncc(Cl)n1C)c1ccsc1 ZINC001314773850 1071042955 /nfs/dbraw/zinc/04/29/55/1071042955.db2.gz LDDZGUQFWWAYKB-QGZVFWFLSA-N 0 3 457.007 3.728 20 0 JHADHN CCN(Cc1c(F)cccc1F)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H]1CCCN(C(C)C)C1 ZINC001313731870 1071048760 /nfs/dbraw/zinc/04/87/60/1071048760.db2.gz WNPGZXVTFTYKOA-OALUTQOASA-N 0 3 495.640 3.605 20 0 JHADHN CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)N(C)[C@H]2CCCN(Cc3ccccc3)C2)cc1 ZINC001310020658 1071065392 /nfs/dbraw/zinc/06/53/92/1071065392.db2.gz ZWKQWTFYODXPFW-QFIPXVFZSA-N 0 3 458.628 3.844 20 0 JHADHN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(NC(=O)N(CCN(C)C)C3CCCC3)cc2)C1 ZINC001310044080 1071080459 /nfs/dbraw/zinc/08/04/59/1071080459.db2.gz YNTLDUIUGBSJCT-RTBURBONSA-N 0 3 450.649 3.691 20 0 JHADHN CCN(Cc1ccccc1F)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN1CCCC[C@@H]1C ZINC001313748578 1071078588 /nfs/dbraw/zinc/07/85/88/1071078588.db2.gz YYYUEXDMKLIIBK-FPOVZHCZSA-N 0 3 477.650 3.610 20 0 JHADHN CCN(Cc1cccs1)c1nnc([C@H]2CCC(=O)N2)n1C[C@H](c1cccc(OC)c1)N(C)C ZINC001313749403 1071080284 /nfs/dbraw/zinc/08/02/84/1071080284.db2.gz GUVBHDWOAMUDBS-NHCUHLMSSA-N 0 3 468.627 3.629 20 0 JHADHN CCN(Cc1cnn(C)c1)c1nnc([C@@H]2CCCCO2)n1C[C@H](c1cccc(OC)c1)N(C)C ZINC001313752866 1071089814 /nfs/dbraw/zinc/08/98/14/1071089814.db2.gz MAUBSHAEQIZSLT-PKTZIBPZSA-N 0 3 467.618 3.591 20 0 JHADHN CC(C)OCCN1CCC(NC(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)CC1 ZINC001310078859 1071103405 /nfs/dbraw/zinc/10/34/05/1071103405.db2.gz RFXMIMLYXXCPHF-UHFFFAOYSA-N 0 3 458.525 3.553 20 0 JHADHN CN(C)[C@@H](Cn1c(-c2cc(Br)cn2C)nnc1N(C)C[C@H]1CCOC1)c1ccsc1 ZINC001314812463 1071108885 /nfs/dbraw/zinc/10/88/85/1071108885.db2.gz WYXJNCWRVVFYNG-BEFAXECRSA-N 0 3 493.475 3.883 20 0 JHADHN CN(C)[C@@H](Cn1c(-c2ccc[nH]2)nnc1N(C)CC1COC(C)(C)OC1)c1ccc(F)cc1 ZINC001314818520 1071128626 /nfs/dbraw/zinc/12/86/26/1071128626.db2.gz FJLZKWGPAYHRIJ-NRFANRHFSA-N 0 3 456.566 3.551 20 0 JHADHN CCN(C[C@H]1CCCO1)c1nnc(C(=O)Nc2ccc(C)c(C)c2)n1C[C@@H]1CCCN1CC ZINC001313773976 1071128660 /nfs/dbraw/zinc/12/86/60/1071128660.db2.gz ZCUVMWBCYCDCAQ-FCHUYYIVSA-N 0 3 454.619 3.637 20 0 JHADHN CN(C)[C@@H](Cn1c(-c2cccnc2)nnc1N(C)CCc1nccs1)c1cccc(F)c1 ZINC001314836309 1071177643 /nfs/dbraw/zinc/17/76/43/1071177643.db2.gz WADNAGBQISVALY-FQEVSTJZSA-N 0 3 451.575 3.918 20 0 JHADHN CCc1nc(CNC(=O)Nc2ccc(N3CCN(Cc4ccccc4)CC3)c(Cl)c2)n[nH]1 ZINC001310189612 1071194493 /nfs/dbraw/zinc/19/44/93/1071194493.db2.gz PEZXBMUSNJJSHI-UHFFFAOYSA-N 0 3 453.978 3.664 20 0 JHADHN Cc1ccc(NC(=O)NCc2ccccc2CN2CCC(O)CC2)c(OC[C@@H]2CCCO2)c1 ZINC001310190444 1071195426 /nfs/dbraw/zinc/19/54/26/1071195426.db2.gz ITZABWLFKINGNU-QHCPKHFHSA-N 0 3 453.583 3.831 20 0 JHADHN CN(CCCCc1ccccc1)c1nnc([C@H]2CCCOC2)n1CCN1CCN(C)C(C)(C)C1 ZINC001314844597 1071198246 /nfs/dbraw/zinc/19/82/46/1071198246.db2.gz FVDCMBYLOWYUDQ-DEOSSOPVSA-N 0 3 468.690 3.657 20 0 JHADHN O=C(NC[C@@]1(O)CCN(Cc2ccccc2)C1)Nc1cc(Cl)ccc1OC[C@@H]1CCCO1 ZINC001310194101 1071200258 /nfs/dbraw/zinc/20/02/58/1071200258.db2.gz CQTGZVDTWYAMLW-RDPSFJRHSA-N 0 3 459.974 3.656 20 0 JHADHN O=C(NCc1ccnc(N2CCSCC2)c1)Nc1ccc(CCN2CCSCC2)cc1 ZINC001310217772 1071214303 /nfs/dbraw/zinc/21/43/03/1071214303.db2.gz LWJIZYJHCZTKFZ-UHFFFAOYSA-N 0 3 457.669 3.548 20 0 JHADHN CCN(CCn1c(-c2ccccc2Cl)nnc1N1CCC2(CNC(=O)C2)CC1)CCC(F)(F)F ZINC001313808253 1071232730 /nfs/dbraw/zinc/23/27/30/1071232730.db2.gz LUAIVFXRVRAQAN-UHFFFAOYSA-N 0 3 498.981 3.979 20 0 JHADHN CCN(CCn1c(-c2ccc(C)o2)nnc1N1CCO[C@@H]([C@H]2CCCO2)C1)CCC(F)(F)F ZINC001313811147 1071244705 /nfs/dbraw/zinc/24/47/05/1071244705.db2.gz ZUGADKLHPCVVMY-IEBWSBKVSA-N 0 3 471.524 3.505 20 0 JHADHN CCN(CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC[C@H]1c1nncn1C)CCC(F)(F)F ZINC001313811788 1071246760 /nfs/dbraw/zinc/24/67/60/1071246760.db2.gz HTYFMFSEMFZVSW-INIZCTEOSA-N 0 3 497.957 3.738 20 0 JHADHN CN(CCn1c(CC(C)(C)C)nnc1N1CCC(CCC(N)=O)CC1)Cc1ccc(F)cc1 ZINC001314863067 1071258917 /nfs/dbraw/zinc/25/89/17/1071258917.db2.gz APARALXHZFZFFU-UHFFFAOYSA-N 0 3 458.626 3.620 20 0 JHADHN CN(CCn1c(C2CCCC2)nnc1N1CCO[C@@H](CNC(=O)OC(C)(C)C)C1)Cc1ccccc1 ZINC001314865893 1071267938 /nfs/dbraw/zinc/26/79/38/1071267938.db2.gz MUEAIHTUZGATSH-QHCPKHFHSA-N 0 3 498.672 3.798 20 0 JHADHN CN(CCn1c(C2CCCC2)nnc1N1CCO[C@H](CNC(=O)OC(C)(C)C)C1)Cc1ccccc1 ZINC001314865892 1071268001 /nfs/dbraw/zinc/26/80/01/1071268001.db2.gz MUEAIHTUZGATSH-HSZRJFAPSA-N 0 3 498.672 3.798 20 0 JHADHN CN(CCn1c([C@H]2CCCO2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F)Cc1ccccc1 ZINC001314867776 1071275268 /nfs/dbraw/zinc/27/52/68/1071275268.db2.gz TZBZQQANXLAHGR-LJQANCHMSA-N 0 3 477.535 3.650 20 0 JHADHN CCN(CCS(C)(=O)=O)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CC(C)(C)N1CCC[C@@H](C)C1 ZINC001313828728 1071300593 /nfs/dbraw/zinc/30/05/93/1071300593.db2.gz QUCNFXBRJCHWCU-NJDAHSKKSA-N 0 3 497.750 3.578 20 0 JHADHN CN(C)[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N(C)CCOc1cccc(Cl)c1)c1cccs1 ZINC001314881797 1071307200 /nfs/dbraw/zinc/30/72/00/1071307200.db2.gz GSWUGSXXLKXQCM-RTBURBONSA-N 0 3 489.045 3.762 20 0 JHADHN CCn1cnnc1Cn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCN(CC(C)C)CC1 ZINC001313855193 1071354154 /nfs/dbraw/zinc/35/41/54/1071354154.db2.gz IFLIOIGRZWTKFJ-UHFFFAOYSA-N 0 3 493.443 3.602 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(-c3cccc(OC)c3)n2CC(F)(F)Br)C[C@@H]1C ZINC001313858267 1071358066 /nfs/dbraw/zinc/35/80/66/1071358066.db2.gz ACYWFYCHHXRYRO-UONOGXRCSA-N 0 3 458.351 3.860 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H]2CCO[C@H](C)C2)C[C@H]1C ZINC001313858610 1071360604 /nfs/dbraw/zinc/36/06/04/1071360604.db2.gz BJOBTLIPEITNKW-YYIAUSFCSA-N 0 3 465.440 3.770 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC(C)(C)COC)C[C@H]1C ZINC001313858437 1071359544 /nfs/dbraw/zinc/35/95/44/1071359544.db2.gz HGSGXARNMSSPAN-UXHICEINSA-N 0 3 456.635 3.739 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(-c3cc(F)ccc3Br)n2Cc2cnn(C)c2C)C[C@@H]1C ZINC001313858357 1071360046 /nfs/dbraw/zinc/36/00/46/1071360046.db2.gz APUBNGJDOQQKGW-LSDHHAIUSA-N 0 3 490.425 3.856 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3ccc(Br)cc3Cl)n2C[C@H]2COCCO2)C[C@H]1C ZINC001313858555 1071360701 /nfs/dbraw/zinc/36/07/01/1071360701.db2.gz BOEIZWPFCWGNHU-VYDXJSESSA-N 0 3 498.853 3.695 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(-c3cc(C)nc4ccccc43)n2CCCCCS(C)(=O)=O)C[C@@H]1C ZINC001313858950 1071361656 /nfs/dbraw/zinc/36/16/56/1071361656.db2.gz CVGOVUJEGNNRRV-LEWJYISDSA-N 0 3 498.697 3.936 20 0 JHADHN Cn1cccc1-c1nnc(N2CCN(C3CCCC3)CC2)n1CC(C)(C)NC(=O)OC(C)(C)C ZINC001314917759 1071360778 /nfs/dbraw/zinc/36/07/78/1071360778.db2.gz LSSSNHPCHQWTTR-UHFFFAOYSA-N 0 3 471.650 3.652 20 0 JHADHN CCN1C[C@H](C)N(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CC(=O)NCC2CC2)C[C@@H]1C ZINC001313860034 1071366508 /nfs/dbraw/zinc/36/65/08/1071366508.db2.gz IONRTSGHYGLDBL-BZSNNMDCSA-N 0 3 475.037 3.517 20 0 JHADHN CCN1C[C@H](C)N(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@@H]2CCOC[C@H]2OC)C[C@@H]1C ZINC001313860011 1071366668 /nfs/dbraw/zinc/36/66/68/1071366668.db2.gz IKSIYCDEWZTYGS-GZMKSWLHSA-N 0 3 475.609 3.528 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC(C)(C)CC)C[C@H]1C ZINC001313860196 1071367928 /nfs/dbraw/zinc/36/79/28/1071367928.db2.gz KJJFDFCPVMAXLI-MOPGFXCFSA-N 0 3 476.691 3.551 20 0 JHADHN CN1CCC[C@H]1C(=O)N1CCN(c2nnc(CC(C)(C)C)n2CCCCc2ccccc2)CC1 ZINC001314925280 1071368023 /nfs/dbraw/zinc/36/80/23/1071368023.db2.gz VVUIOMZQOCSXTL-QHCPKHFHSA-N 0 3 466.674 3.632 20 0 JHADHN CCN1C[C@H](C)N(c2nnc([C@@H](C)Oc3c(C)cc(Cl)cc3C)n2Cc2nncn2C)C[C@@H]1C ZINC001313860372 1071369373 /nfs/dbraw/zinc/36/93/73/1071369373.db2.gz JTAWQCQRGUGUOM-GBESFXJTSA-N 0 3 487.052 3.784 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCC(F)(F)F)C[C@H]1C ZINC001313862668 1071377337 /nfs/dbraw/zinc/37/73/37/1071377337.db2.gz UEWBYIXBVGJRRP-CVEARBPZSA-N 0 3 473.565 3.610 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2CC(C)(C)c2ccc(F)cc2)C[C@H]1C ZINC001313861887 1071374852 /nfs/dbraw/zinc/37/48/52/1071374852.db2.gz RQPKMPIMLJITMR-MOPGFXCFSA-N 0 3 479.604 3.961 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCCCSC)C[C@@H]1C ZINC001313861885 1071375424 /nfs/dbraw/zinc/37/54/24/1071375424.db2.gz RLSQBJNPJGYGJO-ROUUACIJSA-N 0 3 479.094 3.924 20 0 JHADHN CCN1C[C@H](C)N(c2nnc([C@H](C)OCCOC)n2CCc2ccccc2Cl)C[C@H]1C ZINC001313863821 1071383373 /nfs/dbraw/zinc/38/33/73/1071383373.db2.gz TWTOGFJKGVZGNK-QYZOEREBSA-N 0 3 450.027 3.817 20 0 JHADHN CCN1C[C@H](C)N(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2Cc2cnn(C)c2C)C[C@H]1C ZINC001313863869 1071384237 /nfs/dbraw/zinc/38/42/37/1071384237.db2.gz ULDARUGSQSMAOD-ZIFCJYIRSA-N 0 3 455.582 3.566 20 0 JHADHN CN(CCN1CCN(C(=O)Nc2ccn(-c3ccccc3Cl)n2)CC1)Cc1ccccc1 ZINC001310425870 1071384451 /nfs/dbraw/zinc/38/44/51/1071384451.db2.gz ACBQMXUNWICCOM-UHFFFAOYSA-N 0 3 452.990 3.807 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3ccc(F)cc3Br)n2C[C@@](C)(O)CC)C[C@@H]1C ZINC001313864008 1071384752 /nfs/dbraw/zinc/38/47/52/1071384752.db2.gz FMUOXXRCDATFDM-GXZWQRSESA-N 0 3 468.415 3.927 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(-c3ccc(Cl)nc3)n2CCc2nccc(C(F)(F)F)n2)C[C@@H]1C ZINC001313864795 1071388521 /nfs/dbraw/zinc/38/85/21/1071388521.db2.gz HDAFAVRSSUKYIY-LSDHHAIUSA-N 0 3 494.953 3.964 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(Cl)cc2)C[C@H]1C ZINC001313865256 1071391385 /nfs/dbraw/zinc/39/13/85/1071391385.db2.gz YRDITIBSZQSTJR-SJORKVTESA-N 0 3 453.978 3.546 20 0 JHADHN CCN1C[C@H](C)N(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCC(=O)NC(C)(C)C)C[C@@H]1C ZINC001313865211 1071391445 /nfs/dbraw/zinc/39/14/45/1071391445.db2.gz WNTKDWWFKBYLAY-FHWLQOOXSA-N 0 3 474.625 3.781 20 0 JHADHN CCN1C[C@H](C)N(c2nnc([C@H](C)Oc3ccccc3F)n2CC2CCN(C(C)=O)CC2)C[C@H]1C ZINC001313865742 1071392981 /nfs/dbraw/zinc/39/29/81/1071392981.db2.gz XICKWROYDRJMBC-AABGKKOBSA-N 0 3 486.636 3.735 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(CCCOc3ccc(Cl)cc3C)n2C[C@H]2COCCO2)C[C@@H]1C ZINC001313865679 1071393018 /nfs/dbraw/zinc/39/30/18/1071393018.db2.gz CPMCABYZJFFLLQ-ONTIZHBOSA-N 0 3 492.064 3.586 20 0 JHADHN CCn1cccc(Cn2c(-c3ccccc3Br)nnc2N2C[C@@H](C)N(CC)C[C@H]2C)c1=O ZINC001313865117 1071390202 /nfs/dbraw/zinc/39/02/02/1071390202.db2.gz HWEWVLWNQNBRMY-QZTJIDSGSA-N 0 3 499.457 3.856 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(-c3n[nH]c(=O)c4ccccc43)n2CCCC(F)(F)F)C[C@H]1C ZINC001313867438 1071399974 /nfs/dbraw/zinc/39/99/74/1071399974.db2.gz SUVRVWXXNFDPLN-HUUCEWRRSA-N 0 3 463.508 3.855 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(-c3ccc(OC)cc3OC)n2CCCOC(F)(F)F)C[C@@H]1C ZINC001313867158 1071398795 /nfs/dbraw/zinc/39/87/95/1071398795.db2.gz MCMTVCJIXNQABT-JKSUJKDBSA-N 0 3 471.524 3.808 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(-c3cccnc3)n2CCc2ccc(OCC(F)(F)F)nc2)C[C@@H]1C ZINC001313867692 1071400626 /nfs/dbraw/zinc/40/06/26/1071400626.db2.gz ADLYYPGFDJEALD-ZWKOTPCHSA-N 0 3 489.546 3.838 20 0 JHADHN CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccc3ccccc3n2)n1C[C@H](c1ccsc1)N(C)C ZINC001314945225 1071402046 /nfs/dbraw/zinc/40/20/46/1071402046.db2.gz IGDTZMFIFKCRCR-VGOFRKELSA-N 0 3 477.638 3.676 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(Cc3ccccn3)n2CCOc2ccc(Cl)cc2)C[C@@H]1C ZINC001313868148 1071402615 /nfs/dbraw/zinc/40/26/15/1071402615.db2.gz AUTYXNVFJYUMJK-OALUTQOASA-N 0 3 455.006 3.915 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3cccc(C)n3)n2Cc2ccccc2OCCOC)C[C@H]1C ZINC001313868635 1071405287 /nfs/dbraw/zinc/40/52/87/1071405287.db2.gz VNECOGHANQUKRR-RTWAWAEBSA-N 0 3 464.614 3.641 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3cccnc3)n2CCC2CCN(CC(F)(F)F)CC2)C[C@@H]1C ZINC001313870083 1071411389 /nfs/dbraw/zinc/41/13/89/1071411389.db2.gz FKCNSJLTADQMSY-OALUTQOASA-N 0 3 479.595 3.923 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(Cc3csc(C)n3)n2CCc2ccc(OC)c(OC)c2)C[C@H]1C ZINC001313869581 1071409275 /nfs/dbraw/zinc/40/92/75/1071409275.db2.gz QKSNWUMZMDAJHG-MSOLQXFVSA-N 0 3 484.670 3.813 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(Cc3c(F)cccc3F)n2CC2CCN(C(=O)OC)CC2)C[C@H]1C ZINC001313870688 1071414916 /nfs/dbraw/zinc/41/49/16/1071414916.db2.gz FQEGXDPRLITCHG-QZTJIDSGSA-N 0 3 490.599 3.544 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(Cc3ccccn3)n2Cc2ccc(OC)c(Cl)c2)C[C@@H]1C ZINC001313871782 1071418373 /nfs/dbraw/zinc/41/83/73/1071418373.db2.gz HLYUFJTTZNKCJH-ROUUACIJSA-N 0 3 455.006 3.893 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(-c3ccc(OC)c(Br)c3)n2C[C@H]2CCCO2)C[C@H]1C ZINC001313871942 1071419136 /nfs/dbraw/zinc/41/91/36/1071419136.db2.gz VVGUAXBEJBVVHO-JFIYKMOQSA-N 0 3 478.435 3.814 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3ccc(Cl)nc3)n2Cc2cccc(NC(C)=O)c2)C[C@@H]1C ZINC001313871948 1071419283 /nfs/dbraw/zinc/41/92/83/1071419283.db2.gz VWURENBFKSKMDG-IRXDYDNUSA-N 0 3 468.005 3.919 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(CC(C)(C)C)n2Cc2cc(OC)c(OC)c(OC)c2)C[C@@H]1C ZINC001313872826 1071422909 /nfs/dbraw/zinc/42/29/09/1071422909.db2.gz XNRPVYRMVRHFPA-ROUUACIJSA-N 0 3 459.635 3.860 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3ccccc3OC)n2CCCN(C)CC(F)(F)F)C[C@H]1C ZINC001313872614 1071421881 /nfs/dbraw/zinc/42/18/81/1071421881.db2.gz JOAYQQWGMKRLBA-MSOLQXFVSA-N 0 3 468.568 3.757 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(-c3ccccc3OC)n2CCCN(C)CC(F)(F)F)C[C@H]1C ZINC001313872615 1071422165 /nfs/dbraw/zinc/42/21/65/1071422165.db2.gz JOAYQQWGMKRLBA-QZTJIDSGSA-N 0 3 468.568 3.757 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(Cc3ccc(Cl)cc3)n2CCC(=O)N2CCCCC2)C[C@@H]1C ZINC001313873282 1071424587 /nfs/dbraw/zinc/42/45/87/1071424587.db2.gz KWHQAQZJEOGUON-VQTJNVASSA-N 0 3 473.065 3.844 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(Cc3ccc(Cl)cc3)n2CCNC(=O)C(C)(C)C)C[C@@H]1C ZINC001313874318 1071428074 /nfs/dbraw/zinc/42/80/74/1071428074.db2.gz NLHPNLGCZACCSM-ZWKOTPCHSA-N 0 3 461.054 3.604 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(COc3cc(C)cc(C)c3)n2Cc2ccc(OC)nc2)C[C@H]1C ZINC001313875134 1071433069 /nfs/dbraw/zinc/43/30/69/1071433069.db2.gz LHIXSNJLRQQBMC-RTWAWAEBSA-N 0 3 464.614 3.845 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(COc3cc(C)ccc3C)n2Cc2ccc(OC)nc2)C[C@@H]1C ZINC001313876003 1071436574 /nfs/dbraw/zinc/43/65/74/1071436574.db2.gz NQQOZTBMXOZYCC-SFTDATJTSA-N 0 3 464.614 3.845 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(COc3ccccc3OC)n2CC[C@@H]2CCO[C@@H](C)C2)C[C@H]1C ZINC001313885822 1071468180 /nfs/dbraw/zinc/46/81/80/1071468180.db2.gz PXLIBPCZWGKWMR-CLAROIROSA-N 0 3 471.646 3.990 20 0 JHADHN CCN1CC[C@@H](Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CC[C@@H](C)C(C)(C)C2)C1 ZINC001313889666 1071480705 /nfs/dbraw/zinc/48/07/05/1071480705.db2.gz LIGWWOMTQNLNHT-RTBURBONSA-N 0 3 459.660 3.563 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(CSc3ccc(C)cc3)n2CCCC(=O)N(C)C)C[C@@H]1C ZINC001313888560 1071477753 /nfs/dbraw/zinc/47/77/53/1071477753.db2.gz WOWZXXSFAHRSOG-VQTJNVASSA-N 0 3 458.676 3.666 20 0 JHADHN CCN1CCC[C@@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@H](OCC(C)C)C1 ZINC001313898040 1071504460 /nfs/dbraw/zinc/50/44/60/1071504460.db2.gz NBOIQDTVIOEHDN-FGZHOGPDSA-N 0 3 489.064 3.597 20 0 JHADHN CCN1CCCC[C@@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@H](OC)C(C)(C)C1 ZINC001313903955 1071516391 /nfs/dbraw/zinc/51/63/91/1071516391.db2.gz GFMUWOKIXCROSQ-YADHBBJMSA-N 0 3 468.646 3.883 20 0 JHADHN CCN1CCCC[C@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)CC1CC(F)C1 ZINC001313904028 1071517354 /nfs/dbraw/zinc/51/73/54/1071517354.db2.gz GLRYRXFHVIXQDP-MNLRITNHSA-N 0 3 477.028 3.920 20 0 JHADHN CCN1CCCC[C@@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@H](C)[C@H](OC)C1 ZINC001313907249 1071527472 /nfs/dbraw/zinc/52/74/72/1071527472.db2.gz ZYEJFXLBGNALFA-VLCRHTCISA-N 0 3 489.064 3.597 20 0 JHADHN CNC(=O)C1CCN(c2nnc(Cc3ccccc3C)n2C[C@@H](c2cccs2)N(C)C)CC1 ZINC001315003887 1071530465 /nfs/dbraw/zinc/53/04/65/1071530465.db2.gz GDKKXGZEZRNNFQ-NRFANRHFSA-N 0 3 466.655 3.504 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(-c3cc(OC)cc(OC)c3)nnc2N2CCCCCCC2)CC1 ZINC001313920533 1071559188 /nfs/dbraw/zinc/55/91/88/1071559188.db2.gz KEVDHCCLKATWSA-NRFANRHFSA-N 0 3 470.662 3.759 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(-c3cccc(Br)c3)nnc2N(C)Cc2ccco2)CC1 ZINC001313920552 1071559265 /nfs/dbraw/zinc/55/92/65/1071559265.db2.gz KSEASMYSMDKVMH-SFHVURJKSA-N 0 3 487.446 3.963 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(-c3cccc(Br)c3)nnc2N2CCC(F)(F)C2)CC1 ZINC001313920547 1071559610 /nfs/dbraw/zinc/55/96/10/1071559610.db2.gz KPIAOGOCKLMBKY-INIZCTEOSA-N 0 3 483.405 3.579 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(-c3cccc(OC)c3)nnc2N(C)Cc2ccc(C)s2)CC1 ZINC001313920474 1071558838 /nfs/dbraw/zinc/55/88/38/1071558838.db2.gz JFYVOXOKUCSETM-LJQANCHMSA-N 0 3 468.671 3.986 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(C(C)C)nnc2N(C)[C@H](C)c2cccc(N3CCOC3=O)c2)CC1 ZINC001313924072 1071569093 /nfs/dbraw/zinc/56/90/93/1071569093.db2.gz YDTLWZSSYHHSLQ-NHCUHLMSSA-N 0 3 483.661 3.582 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(COc3ccc(C)c(C)c3)nnc2N2CCC[C@H]2CSC)CC1 ZINC001313926185 1071575574 /nfs/dbraw/zinc/57/55/74/1071575574.db2.gz AZXHDZPBHZQLAF-PKTZIBPZSA-N 0 3 486.730 3.832 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(-c3ccc(OC)cc3OC)nnc2N2CCCC(C)(C)C2)CC1 ZINC001313924829 1071572118 /nfs/dbraw/zinc/57/21/18/1071572118.db2.gz JLZTWHSPQOPTPZ-HXUWFJFHSA-N 0 3 470.662 3.615 20 0 JHADHN CCN(Cc1c(F)cccc1F)c1nnc(Cc2cccnc2)n1C[C@@H](C)N1CCN(CC)CC1 ZINC001313925698 1071574010 /nfs/dbraw/zinc/57/40/10/1071574010.db2.gz BBKSHDFEHWJJFO-HXUWFJFHSA-N 0 3 483.611 3.595 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(-c3ccc4ccccc4n3)nnc2N(C)CCOC(C)(C)C)CC1 ZINC001313925413 1071574134 /nfs/dbraw/zinc/57/41/34/1071574134.db2.gz PZOMGTAVJGBGIO-NRFANRHFSA-N 0 3 479.673 3.771 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(-c3ccc(OC)cc3OC)nnc2N2C[C@@H](C)CC[C@@H]2C)CC1 ZINC001313926302 1071576140 /nfs/dbraw/zinc/57/61/40/1071576140.db2.gz WZDWSTMOGCXTKI-PCCBWWKXSA-N 0 3 470.662 3.613 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(COc3cc(C)cc(C)c3)nnc2N(C)CC2CC(F)(F)C2)CC1 ZINC001313926667 1071577433 /nfs/dbraw/zinc/57/74/33/1071577433.db2.gz FDIOPZZZYZTKFY-OAQYLSRUSA-N 0 3 490.643 3.981 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(COc3cc(C)cc(C)c3)nnc2N(C)CC2CC(F)(F)C2)CC1 ZINC001313926666 1071577518 /nfs/dbraw/zinc/57/75/18/1071577518.db2.gz FDIOPZZZYZTKFY-NRFANRHFSA-N 0 3 490.643 3.981 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(CCc3ccc(OC)cc3)nnc2N2CCCC(C)(C)C2)CC1 ZINC001313926851 1071578214 /nfs/dbraw/zinc/57/82/14/1071578214.db2.gz GXYSRNWJXMOLMI-JOCHJYFZSA-N 0 3 468.690 3.724 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(COc3cccc(C)c3)nnc2N2CCC(OC(C)C)CC2)CC1 ZINC001313927219 1071579347 /nfs/dbraw/zinc/57/93/47/1071579347.db2.gz IQHVHLNHQXPJKB-QHCPKHFHSA-N 0 3 484.689 3.585 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(Cn3nc(C)cc3C)nnc2N(C)[C@H](C)c2ccc(F)cc2)CC1 ZINC001313928040 1071582539 /nfs/dbraw/zinc/58/25/39/1071582539.db2.gz NCDYPFZUKPLGOB-FCHUYYIVSA-N 0 3 482.652 3.502 20 0 JHADHN CCN1CCN([C@H](C)Cn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N2CCCCCC2)CC1 ZINC001313928621 1071584425 /nfs/dbraw/zinc/58/44/25/1071584425.db2.gz UNKJJLHPGQEVFZ-YADHBBJMSA-N 0 3 489.709 3.757 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(Cc3c(F)cccc3F)nnc2N2CCSC(C)(C)C2)CC1 ZINC001313929004 1071585076 /nfs/dbraw/zinc/58/50/76/1071585076.db2.gz RCLRJQOEDRQXCR-GOSISDBHSA-N 0 3 478.657 3.505 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(C3CCC3)nnc2N(C)Cc2cc(Cl)ccc2OC)CC1 ZINC001313930762 1071590483 /nfs/dbraw/zinc/59/04/83/1071590483.db2.gz RKLYZGMLAYLFFK-SFHVURJKSA-N 0 3 461.054 3.870 20 0 JHADHN CCN1CCN(C2CCN(c3nnc(C(C)(C)C)n3C[C@@H](c3ccc(F)cc3)N(C)C)CC2)C1=O ZINC001313941940 1071618201 /nfs/dbraw/zinc/61/82/01/1071618201.db2.gz BOIFXZNMXHSQSH-QFIPXVFZSA-N 0 3 485.652 3.744 20 0 JHADHN CCN1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCCN2C[C@@H](C)O[C@@H](C)C2)C[C@H]1C ZINC001313941963 1071618923 /nfs/dbraw/zinc/61/89/23/1071618923.db2.gz FRWJCEXUQUAEFV-SMIHKQSGSA-N 0 3 484.689 3.504 20 0 JHADHN CCN1CCN([C@H]2CCN(c3nnc(-c4cc(Br)c[nH]4)n3CCC=C(C)C)C2)CC1 ZINC001313945822 1071627389 /nfs/dbraw/zinc/62/73/89/1071627389.db2.gz URMGRQSGNAXZPL-IBGZPJMESA-N 0 3 476.467 3.608 20 0 JHADHN CCN1CCN([C@@H]2CCN(c3nnc(-c4ccc(C(C)(C)C)cc4)n3CCCCCO)C2)CC1 ZINC001313944329 1071624964 /nfs/dbraw/zinc/62/49/64/1071624964.db2.gz AXIZBAKIGQUQCH-XMMPIXPASA-N 0 3 468.690 3.621 20 0 JHADHN CCN1CCN([C@H]2CCN(c3nnc(CC(C)C)n3CC[C@H](C)c3ccc(OC)cc3)C2)CC1 ZINC001313946405 1071628562 /nfs/dbraw/zinc/62/85/62/1071628562.db2.gz BQDMYGOVPRKJHF-UPVQGACJSA-N 0 3 468.690 3.895 20 0 JHADHN CCN1CCN([C@@H]2CCN(c3nnc(CC(C)(C)C)n3C[C@H](C)N(C)c3ccccc3)C2)CC1 ZINC001313948486 1071634047 /nfs/dbraw/zinc/63/40/47/1071634047.db2.gz QVTICFGOPMLSEB-LADGPHEKSA-N 0 3 467.706 3.608 20 0 JHADHN CCN1CCN([C@H]2CCN(c3nnc(-c4ccccc4OC)n3CCCC(F)(F)F)C2)CC1 ZINC001313949261 1071635886 /nfs/dbraw/zinc/63/58/86/1071635886.db2.gz XBZJCHOZTBISJS-SFHVURJKSA-N 0 3 466.552 3.512 20 0 JHADHN CCN1CCN([C@@H]2CCN(c3nnc(-c4ccccc4OC)n3CCCC(F)(F)F)C2)CC1 ZINC001313949259 1071635908 /nfs/dbraw/zinc/63/59/08/1071635908.db2.gz XBZJCHOZTBISJS-GOSISDBHSA-N 0 3 466.552 3.512 20 0 JHADHN CCN1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@H]2CN(CC(C)C)CCO2)C[C@@H]1C ZINC001313949375 1071636504 /nfs/dbraw/zinc/63/65/04/1071636504.db2.gz PHMWMFPTJJTYQB-XZOQPEGZSA-N 0 3 486.730 3.766 20 0 JHADHN CCN1CCN(C[C@@H](C)Cn2c([C@H]3CCCO3)nnc2N(C)Cc2ccc(Cl)c(F)c2)CC1 ZINC001313951355 1071641768 /nfs/dbraw/zinc/64/17/68/1071641768.db2.gz GVWREHITTBDKNR-XMSQKQJNSA-N 0 3 479.044 3.832 20 0 JHADHN CCN1CCN(C[C@H](C)Cn2c(C(C)C)nnc2N2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)CC1 ZINC001313952204 1071644298 /nfs/dbraw/zinc/64/42/98/1071644298.db2.gz YFBMCLUMKVJQBQ-JTHBVZDNSA-N 0 3 484.664 3.914 20 0 JHADHN CCN1CCN(C[C@H](C)Cn2c([C@H]3CCCO3)nnc2N(C)Cc2ccccc2SC)CC1 ZINC001313953312 1071648359 /nfs/dbraw/zinc/64/83/59/1071648359.db2.gz XLDGHYRATVPWHN-RBBKRZOGSA-N 0 3 472.703 3.762 20 0 JHADHN CCN1CCN(C[C@H](C)Cn2c(Cc3ccc(Cl)cc3)nnc2N(C)Cc2ccccn2)CC1 ZINC001313954754 1071652847 /nfs/dbraw/zinc/65/28/47/1071652847.db2.gz CIVMRNASBSYPQD-NRFANRHFSA-N 0 3 482.076 3.827 20 0 JHADHN CCN1CCN(C[C@H](C)Cn2c(Cc3ccccc3F)nnc2N2CC[C@H](C)[C@@H](C)C2)CC1 ZINC001313957605 1071660688 /nfs/dbraw/zinc/66/06/88/1071660688.db2.gz QTYMAPOXWGOVGA-FKBYEOEOSA-N 0 3 456.654 3.764 20 0 JHADHN CCN1CCN(C[C@@H](C)Cn2c(COc3cc(C)ccc3C)nnc2N2CCC(F)(F)C2)CC1 ZINC001313957631 1071661338 /nfs/dbraw/zinc/66/13/38/1071661338.db2.gz RBAKKJOZZVYXAW-HXUWFJFHSA-N 0 3 476.616 3.593 20 0 JHADHN CCN1CCN(C[C@H](C)Cn2c(COc3cccc(C)c3)nnc2N2CCS[C@@H](C)[C@@H]2C)CC1 ZINC001313958124 1071662950 /nfs/dbraw/zinc/66/29/50/1071662950.db2.gz UJKFYMMGUXXZTH-VABKMULXSA-N 0 3 486.730 3.769 20 0 JHADHN CCN1CCN(CCCn2c(N3CCC(OCc4ccccc4F)CC3)nnc2C(C)(C)C)CC1 ZINC001313959220 1071666093 /nfs/dbraw/zinc/66/60/93/1071666093.db2.gz NDAGORCUXPCFGV-UHFFFAOYSA-N 0 3 486.680 3.928 20 0 JHADHN CCN1CCN(CCCn2c(COc3ccc(Cl)cc3Cl)nnc2Nc2ccn(C)n2)CC1 ZINC001313960244 1071669824 /nfs/dbraw/zinc/66/98/24/1071669824.db2.gz GJHYMFJTPXHAAT-UHFFFAOYSA-N 0 3 493.443 3.669 20 0 JHADHN CCN1CCN(CCCn2c([C@@H](C)Oc3cccc(C)c3C)nnc2N2CCCO[C@H](C)C2)CC1 ZINC001313960530 1071669970 /nfs/dbraw/zinc/66/99/70/1071669970.db2.gz KLYVRGDVCFNBNB-ISKFKSNPSA-N 0 3 484.689 3.678 20 0 JHADHN CCN1CCN(CCCn2c(Cc3cccnc3)nnc2N(C)[C@H](C)c2ccc(F)c(F)c2)CC1 ZINC001313960798 1071671111 /nfs/dbraw/zinc/67/11/11/1071671111.db2.gz MQXMTRKIEGMZQD-HXUWFJFHSA-N 0 3 483.611 3.767 20 0 JHADHN CCO[C@H](CCn1c(-c2ccc(C)o2)nnc1N1CCN(CC2CCOCC2)CC1)C(C)C ZINC001314061241 1071898054 /nfs/dbraw/zinc/89/80/54/1071898054.db2.gz GUHNGGFNMWOEFN-JOCHJYFZSA-N 0 3 459.635 3.846 20 0 JHADHN CCO[C@]1(c2nnc(N(C)Cc3nc(C(F)(F)F)cs3)n2CCN2CCCCC2)CCOC1 ZINC001314087724 1071961282 /nfs/dbraw/zinc/96/12/82/1071961282.db2.gz ZIBMBSWSEWFHIR-HXUWFJFHSA-N 0 3 488.580 3.528 20 0 JHADHN CCO[C@]1(c2nnc(N3C[C@@H](C)N(CC)C[C@H]3C)n2CC(C)(C)c2cccs2)CCOC1 ZINC001314093906 1071971854 /nfs/dbraw/zinc/97/18/54/1071971854.db2.gz IAUBMOKNBLLSAF-KHCICDEESA-N 0 3 461.676 3.888 20 0 JHADHN CCO[C@]1(c2nnc(N3C[C@H](C)N(CC)C[C@H]3C)n2C[C@H](SC)C(C)(C)C)CCOC1 ZINC001314095353 1071974687 /nfs/dbraw/zinc/97/46/87/1071974687.db2.gz NMKDCWVWVMHRIT-QPXQOZNCSA-N 0 3 453.697 3.627 20 0 JHADHN CCO[C@]1(c2nnc(N3CCN(C(C)(C)C)CC3)n2C[C@@H](C)Oc2cccc(C)c2)CCOC1 ZINC001314137128 1072048860 /nfs/dbraw/zinc/04/88/60/1072048860.db2.gz UCQHPJKGZHHLBC-QFQXNSOFSA-N 0 3 471.646 3.627 20 0 JHADHN CCc1ccc(Cn2c(-c3ccccc3C)nnc2N2CCN(C(=O)CN(CC)CC)CC2)s1 ZINC001305963295 1068296310 /nfs/dbraw/zinc/29/63/10/1068296310.db2.gz OIUHGKFWDAYBLA-UHFFFAOYSA-N 0 3 480.682 3.916 20 0 JHADHN CCc1ccccc1OCc1nnc(N2C[C@H](C)C[C@H](C)C2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001305984503 1068332636 /nfs/dbraw/zinc/33/26/36/1068332636.db2.gz SQNFHNFKDYAIOM-AOHZBQACSA-N 0 3 496.700 3.845 20 0 JHADHN CCc1ccccc1OCc1nnc(N2C[C@H](C)N(CC)C[C@@H]2C)n1Cc1nccn1C(F)F ZINC001305985599 1068335974 /nfs/dbraw/zinc/33/59/74/1068335974.db2.gz WNCQCEOTLPLCJF-ROUUACIJSA-N 0 3 473.572 3.978 20 0 JHADHN CCc1nc(C)c([C@H](C)N(C)c2nnc(C(=O)NC(C)C)n2CCN2CCC[C@H](C)C2)s1 ZINC001306005946 1068384144 /nfs/dbraw/zinc/38/41/44/1068384144.db2.gz SYEGIDYIUIWKDQ-WMZOPIPTSA-N 0 3 461.680 3.673 20 0 JHADHN CCc1nc(CN(C)c2nnc(Cc3ccccc3C)n2CCN2CCN(C)C(C)(C)C2)cs1 ZINC001306031435 1068432143 /nfs/dbraw/zinc/43/21/43/1068432143.db2.gz QSNZDTNEWURBOK-UHFFFAOYSA-N 0 3 481.714 3.859 20 0 JHADHN CCc1nnc(N2CC[C@@H](N3CCN(C(C)C)CC3)C2)n1C[C@H](F)c1ccc(Br)cc1 ZINC001306142099 1068543267 /nfs/dbraw/zinc/54/32/67/1068543267.db2.gz MBKCLALDKAWIFG-RTWAWAEBSA-N 0 3 493.469 3.919 20 0 JHADHN CCc1nnc(N2CCC(NC(=O)c3ccccc3C)CC2)n1C[C@@H](c1cccs1)N(C)C ZINC001306142840 1068544914 /nfs/dbraw/zinc/54/49/14/1068544914.db2.gz FPOWVZDICQDZKY-NRFANRHFSA-N 0 3 466.655 3.912 20 0 JHADHN CCc1nnc(N2CCC[C@@H](c3nc(C(C)C)cs3)C2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001306161288 1068557568 /nfs/dbraw/zinc/55/75/68/1068557568.db2.gz IFXOGSZJZIRDMB-TZIWHRDSSA-N 0 3 487.718 3.747 20 0 JHADHN CCc1nnc(N2CCC[C@@H](OCC(F)(F)F)C2)n1C[C@@H](c1cccc(OC)c1)N(C)C ZINC001306171214 1068565821 /nfs/dbraw/zinc/56/58/21/1068565821.db2.gz GEBIKOLEDJVQPI-MOPGFXCFSA-N 0 3 455.525 3.700 20 0 JHADHN CCc1nnc(N2CCCN(CC(F)(F)F)CC2)n1C[C@@H](c1ccccc1OC)N1CCCC1 ZINC001306180142 1068571371 /nfs/dbraw/zinc/57/13/71/1068571371.db2.gz HJJUOIZHEMYSHW-FQEVSTJZSA-N 0 3 480.579 3.761 20 0 JHADHN CCc1noc(C)c1Cn1c(CCc2ccc(OC)cc2)nnc1N1CCN(CC(C)C)CC1 ZINC001306236607 1068629884 /nfs/dbraw/zinc/62/98/84/1068629884.db2.gz BGGIMUMRBVFBCK-UHFFFAOYSA-N 0 3 466.630 3.757 20 0 JHADHN CC(C)(C)N1CC[C@@](F)(C(=O)NCCN2C(=O)S/C(=C/c3ccc(Cl)cc3)C2=O)C1 ZINC001306308030 1068726577 /nfs/dbraw/zinc/72/65/77/1068726577.db2.gz DXMVTLJLYZIMTI-AUFJSOOLSA-N 0 3 453.967 3.705 20 0 JHADHN CC[C@@H]1CCC[C@@H]1Cn1c(N2C[C@@H](C)[C@H](N3CCCN(C(C)=O)CC3)C2)nnc1C(C)(C)C ZINC001306315447 1068734739 /nfs/dbraw/zinc/73/47/39/1068734739.db2.gz POAZPIOPAIKTQN-JMJGKCIBSA-N 0 3 458.695 3.781 20 0 JHADHN CC[C@@H]1CCCN1c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H](C(C)C)N1CCCC1 ZINC001306346111 1068783172 /nfs/dbraw/zinc/78/31/72/1068783172.db2.gz LIYRCNQUTDWHEP-IRLDBZIGSA-N 0 3 459.660 3.848 20 0 JHADHN CC[C@@H]1CCCN1c1nnc(COc2ccc(C)cc2)n1C[C@@H](C)CN1CCN(CC)CC1 ZINC001306357524 1068792337 /nfs/dbraw/zinc/79/23/37/1068792337.db2.gz RHKWEZIYMBOPAO-XZOQPEGZSA-N 0 3 454.663 3.818 20 0 JHADHN CC[C@H]1CN(c2nnc(C(C)C)n2C[C@@H](c2ccccc2Cl)N(C)C)CCN1CCOC ZINC001306388430 1068824505 /nfs/dbraw/zinc/82/45/05/1068824505.db2.gz WGOSBDKJPLFQHT-UGKGYDQZSA-N 0 3 463.070 3.905 20 0 JHADHN CC[C@@H]1CN(c2nnc(CSc3ccc(C)cc3)n2C[C@H](C)N2CCN(CC)CC2)CCO1 ZINC001306458613 1068990860 /nfs/dbraw/zinc/99/08/60/1068990860.db2.gz ZBABDVZTRWCEDL-FCHUYYIVSA-N 0 3 472.703 3.520 20 0 JHADHN Cc1cc(NC(=O)c2cccc(Cl)c2)ccc1NC(=O)NC[C@H](C)CN1CCN(C)CC1 ZINC001310514844 1068995219 /nfs/dbraw/zinc/99/52/19/1068995219.db2.gz GVARFFYWGSNETK-KRWDZBQOSA-N 0 3 458.006 3.906 20 0 JHADHN CCCC(=O)Nc1ccc(Cn2c(-c3cccn3C)nnc2N2C[C@@H](C)N(CC)C[C@@H]2C)cc1 ZINC001306494952 1069038614 /nfs/dbraw/zinc/03/86/14/1069038614.db2.gz VMFRCTTZTRZRAC-UXHICEINSA-N 0 3 463.630 3.989 20 0 JHADHN CCN1CCN(c2cccc(NC(=O)NC3CCN(Cc4ccc(F)c(F)c4)CC3)c2)CC1 ZINC001310597472 1069041094 /nfs/dbraw/zinc/04/10/94/1069041094.db2.gz RWRMCLYFNVGUPE-UHFFFAOYSA-N 0 3 457.569 3.893 20 0 JHADHN O=C(NC[C@@H](c1ccccc1)N1CCCC1)Nc1ccnn1-c1ccc(Br)cn1 ZINC001310667539 1069097357 /nfs/dbraw/zinc/09/73/57/1069097357.db2.gz IAVGEJXGTIISOS-SFHVURJKSA-N 0 3 455.360 3.988 20 0 JHADHN CC(C)(C)OC(=O)CCc1cccc(NC(=O)NC[C@]2(O)CCN(Cc3ccccc3)C2)c1 ZINC001310675723 1069103256 /nfs/dbraw/zinc/10/32/56/1069103256.db2.gz IVZJZCQRGVZUKA-AREMUKBSSA-N 0 3 453.583 3.719 20 0 JHADHN CC[C@H](CNC(=O)Nc1cccc(C(=O)NC)c1Br)N1CCc2ccccc2C1 ZINC001310705534 1069122395 /nfs/dbraw/zinc/12/23/95/1069122395.db2.gz NEEPLJFGIJHYMG-QGZVFWFLSA-N 0 3 459.388 3.767 20 0 JHADHN CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)Nc1ccc2c(c1F)CCNC2=O ZINC001310720786 1069133039 /nfs/dbraw/zinc/13/30/39/1069133039.db2.gz MATQCBKDWFVNRX-UHFFFAOYSA-N 0 3 452.452 3.726 20 0 JHADHN Cc1nc(NC(=O)N2CC[C@@H]3[C@H]2CCCN3CCO)sc1Cc1cccc(Cl)c1F ZINC001310740969 1069144029 /nfs/dbraw/zinc/14/40/29/1069144029.db2.gz AMYSVKSPDGIRTD-IAGOWNOFSA-N 0 3 452.983 3.898 20 0 JHADHN Cc1cc(NC(=O)NCC2(O)CCN(Cc3ccccc3)CC2)nn1-c1ccc(F)cc1F ZINC001310843252 1069189406 /nfs/dbraw/zinc/18/94/06/1069189406.db2.gz JUDPWSSHOLQBDU-UHFFFAOYSA-N 0 3 455.509 3.608 20 0 JHADHN Cc1c(CNC(=O)OC(C)(C)C)c(NC(=O)N(CCN(C)C)Cc2cccc(C)c2)nn1C ZINC001310942699 1069229794 /nfs/dbraw/zinc/22/97/94/1069229794.db2.gz OFTACNJCSJCLON-UHFFFAOYSA-N 0 3 458.607 3.657 20 0 JHADHN O=C(Nc1ccc(SCC[NH+]2CCCC2)cc1)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC001310961176 1069234471 /nfs/dbraw/zinc/23/44/71/1069234471.db2.gz CFRYCRZFNVZPMC-INIZCTEOSA-N 0 3 458.550 3.797 20 0 JHADHN O=C(Nc1cc(F)c(F)c(F)c1F)N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC001311117693 1069277853 /nfs/dbraw/zinc/27/78/53/1069277853.db2.gz XHJNYNZGRAJZRL-HNNXBMFYSA-N 0 3 451.468 3.704 20 0 JHADHN CCC[C@H]1CN(c2nnc(-c3ccc(Cl)cc3)n2Cc2cccn(CC)c2=O)CCN1CCOC ZINC001306620508 1069306338 /nfs/dbraw/zinc/30/63/38/1069306338.db2.gz PKFLRWKXKXDAQE-QHCPKHFHSA-N 0 3 499.059 3.766 20 0 JHADHN O=C1OC2(CCN(Cc3ccccc3)CC2)c2cnc(Cl)c(N3C[C@@H]4[C@@H](C3)OCC4(F)F)c21 ZINC001164426281 718927411 /nfs/dbraw/zinc/92/74/11/718927411.db2.gz ZCYTWPMTXYYWKN-QZTJIDSGSA-N 0 3 475.923 3.867 20 0 JHADHN CCOC(=O)C1CCN(C2CCN(C(F)(F)Oc3ccc4c(Cl)ncnc4c3)CC2)CC1 ZINC001164616984 719030117 /nfs/dbraw/zinc/03/01/17/719030117.db2.gz GVZULYCMJLABHR-UHFFFAOYSA-N 0 3 468.932 3.952 20 0 JHADHN CCOC(=O)C1CCN(C2CCN(C(F)(F)c3cc(Cl)nc(-c4ccccn4)n3)CC2)CC1 ZINC001164617593 719032924 /nfs/dbraw/zinc/03/29/24/719032924.db2.gz MKXMHSADVQISJP-UHFFFAOYSA-N 0 3 479.959 3.981 20 0 JHADHN FC(F)(c1nc(Cl)cc(N2CCOCC2)n1)N1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC001164620490 719064257 /nfs/dbraw/zinc/06/42/57/719064257.db2.gz FLOLQTDZSNSKPU-OALUTQOASA-N 0 3 463.960 3.612 20 0 JHADHN FC(F)(c1nc(Cl)cc(N2CCOCC2)n1)N1CCC[C@H]2CN(Cc3ccccc3)C[C@H]21 ZINC001164620492 719064366 /nfs/dbraw/zinc/06/43/66/719064366.db2.gz FLOLQTDZSNSKPU-RBUKOAKNSA-N 0 3 463.960 3.612 20 0 JHADHN COC(=O)/C=C\c1ccc(NC(=O)C(C)(C)C)c(N2CC[C@@H]3[C@@H]2CCN3Cc2cccnc2)n1 ZINC001164735685 720416068 /nfs/dbraw/zinc/41/60/68/720416068.db2.gz XNAROPAAFVEXLF-SKOXWRBESA-N 0 3 463.582 3.501 20 0 JHADHN Cc1cc2c(ncnc2N2CCn3c(CN(C)C(C)C)cnc3[C@H]2C)n1S(=O)(=O)c1ccccc1 ZINC001164858560 720939463 /nfs/dbraw/zinc/93/94/63/720939463.db2.gz JBJZSFBNKOHGEX-LJQANCHMSA-N 0 3 493.637 3.595 20 0 JHADHN COc1cc2c(cc1OCc1ccccc1)ncnc2N1C[C@H]2CN(Cc3cnn(C)c3)CC[C@@H]2C1 ZINC001164764313 721091376 /nfs/dbraw/zinc/09/13/76/721091376.db2.gz HFUUWCCSWJFRKP-DHIUTWEWSA-N 0 3 484.604 3.909 20 0 JHADHN F[C@H](Oc1cccc(-c2ccc(Cl)nn2)c1)N1CCN2C[C@H](OCc3cccnc3)C[C@H]2C1 ZINC001164880663 721162886 /nfs/dbraw/zinc/16/28/86/721162886.db2.gz WURDUQDLFMYQDY-LEEZEASISA-N 0 3 469.948 3.799 20 0 JHADHN Cn1cc(CN2CC[C@H]3CN(c4ccc(-c5ccc(C6OCCCO6)cc5)cn4)C[C@H]3C2)cn1 ZINC001164764181 721179421 /nfs/dbraw/zinc/17/94/21/721179421.db2.gz GLBABAOPZKVVAF-LOSJGSFVSA-N 0 3 459.594 3.876 20 0 JHADHN Cc1sc2nc(CN3CCCCC3)nc(N3C[C@H]4CN(Cc5cnn(C)c5)CC[C@@H]4C3)c2c1C ZINC001164767696 721198716 /nfs/dbraw/zinc/19/87/16/721198716.db2.gz KJKNPGFWFZXAFX-FGZHOGPDSA-N 0 3 479.698 3.986 20 0 JHADHN Cn1cc(CN2CC[C@@H]3CN(c4nc(CN5CCCCC5)nc5sc6c(c54)CCC6)C[C@@H]3C2)cn1 ZINC001164765050 721200796 /nfs/dbraw/zinc/20/07/96/721200796.db2.gz HOGQIFCILUMWMR-RTWAWAEBSA-N 0 3 491.709 3.858 20 0 JHADHN CCOC(=O)c1c2ccccn2c2ncnc(N3CCN4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)c21 ZINC001164900564 721510044 /nfs/dbraw/zinc/51/00/44/721510044.db2.gz SKZVQFSVQMAJOM-ICSRJNTNSA-N 0 3 475.524 3.540 20 0 JHADHN CCOC(=O)c1cnc(-c2cccs2)nc1N1CCN2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164903015 721527432 /nfs/dbraw/zinc/52/74/32/721527432.db2.gz BURZBVURTIQYML-MJGOQNOKSA-N 0 3 468.554 3.863 20 0 JHADHN FC(F)(c1nc2ccccc2nc1Cl)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164983075 722128057 /nfs/dbraw/zinc/12/80/57/722128057.db2.gz XYPDXPWYAKDTHV-XLIONFOSSA-N 0 3 459.928 3.950 20 0 JHADHN FC(F)(Cc1nc(Cl)cc(Cl)n1)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164972756 722135347 /nfs/dbraw/zinc/13/53/47/722135347.db2.gz AKTUEHUDXFEOBE-CVEARBPZSA-N 0 3 458.340 3.537 20 0 JHADHN O=C(c1ccccc1)n1ccc2ccc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)nc21 ZINC001164980339 722136510 /nfs/dbraw/zinc/13/65/10/722136510.db2.gz MZBPAKGOWKNOLR-DQEYMECFSA-N 0 3 467.573 3.847 20 0 JHADHN CCOC(=O)c1sc2nc(C)nc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)c2c1C ZINC001164976017 722139730 /nfs/dbraw/zinc/13/97/30/722139730.db2.gz GIGYJTKXSGVWDN-VQTJNVASSA-N 0 3 481.622 3.607 20 0 JHADHN O=C(NC1CCCC1)c1cnc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c(Cl)c1 ZINC001164985481 722144276 /nfs/dbraw/zinc/14/42/76/722144276.db2.gz ZPOZKSBFSBZLDD-WMZHIEFXSA-N 0 3 470.017 3.530 20 0 JHADHN COc1ccc2nc(C(F)(F)N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)nc(Cl)c2c1 ZINC001164978858 722145465 /nfs/dbraw/zinc/14/54/65/722145465.db2.gz JZQTXXQPIDDRBM-DYESRHJHSA-N 0 3 489.954 3.959 20 0 JHADHN CCC[C@H]1CN(c2nnc(-c3ccc(F)cc3Br)n2C[C@@H](C)OC)CCN1CCOC ZINC001306621642 1069310250 /nfs/dbraw/zinc/31/02/50/1069310250.db2.gz DDBYXCHBMTXJBG-AEFFLSMTSA-N 0 3 498.441 3.819 20 0 JHADHN CCC[C@H]1CN(c2nnc(-c3cc4c(s3)CC[C@H](C)C4)n2CCOC)CCN1CCOC ZINC001306621507 1069310318 /nfs/dbraw/zinc/31/03/18/1069310318.db2.gz XYKBLVGTRJLIEH-ICSRJNTNSA-N 0 3 461.676 3.715 20 0 JHADHN CCC[C@@H]1CN(c2nnc(-c3cccn3C)n2Cc2c(F)cc(F)c(F)c2F)CCN1CCOC ZINC001306621799 1069311711 /nfs/dbraw/zinc/31/17/11/1069311711.db2.gz QUGQGXXROZAPFO-MRXNPFEDSA-N 0 3 494.537 3.825 20 0 JHADHN CCC[C@H]1CN(c2nnc(CC)n2C[C@H]2CC3(CC3)CN2C(=O)OC(C)(C)C)CCN1CCOC ZINC001306626140 1069320506 /nfs/dbraw/zinc/32/05/06/1069320506.db2.gz CVIKFBHNMUWAOX-LEWJYISDSA-N 0 3 490.693 3.567 20 0 JHADHN CCN1CCN(Cc2ccc(CNC(=O)N[C@H]3CCCc4c(cccc4OC)C3)cc2)CC1 ZINC001311358203 1069342066 /nfs/dbraw/zinc/34/20/66/1069342066.db2.gz QHWZJKWUPDVANG-DEOSSOPVSA-N 0 3 450.627 3.580 20 0 JHADHN CCC[C@@H]1CN(c2nnc(-c3ccccc3F)n2C[C@@H]2CCC[C@@H]2OC)CCN1CCOC ZINC001306639862 1069350659 /nfs/dbraw/zinc/35/06/59/1069350659.db2.gz CZNJWTLDSFSJOL-MZKRTTBSSA-N 0 3 459.610 3.836 20 0 JHADHN Cc1cccc(N2CCN(CCCCNC(=O)NC[C@H](CO)c3ccc(Cl)cc3)CC2)c1 ZINC001311380335 1069353795 /nfs/dbraw/zinc/35/37/95/1069353795.db2.gz KROOQIPJRHUHKY-JOCHJYFZSA-N 0 3 459.034 3.626 20 0 JHADHN CCC[C@@H]1CN(c2nnc(-c3ccccc3Br)n2CCN2CC=CCC2)CCO1 ZINC001306646691 1069358041 /nfs/dbraw/zinc/35/80/41/1069358041.db2.gz MUEUZRDONPJOPI-GOSISDBHSA-N 0 3 460.420 3.975 20 0 JHADHN CCCCCn1c(COc2ccccc2F)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 ZINC001306655103 1069367034 /nfs/dbraw/zinc/36/70/34/1069367034.db2.gz GDUYIGABCQMXSI-OFNKIYASSA-N 0 3 486.636 3.565 20 0 JHADHN Cc1cc2c(CCNC(=O)NCCCN3CCN(Cc4ccccc4)CC3)c[nH]c2cc1F ZINC001311422273 1069368960 /nfs/dbraw/zinc/36/89/60/1069368960.db2.gz CQPJBGVENIEKMU-UHFFFAOYSA-N 0 3 451.590 3.665 20 0 JHADHN O=C(NCCCN1CCN(Cc2ccccc2)CC1)N1Cc2ccc(Br)cc2C1 ZINC001311421910 1069369170 /nfs/dbraw/zinc/36/91/70/1069369170.db2.gz FWIAJNXTTYMYEG-UHFFFAOYSA-N 0 3 457.416 3.682 20 0 JHADHN CCCCCn1cc(Cn2c(C(C)C)nnc2N2CCC(CN3CCOCC3)CC2)c(C)n1 ZINC001306658124 1069372886 /nfs/dbraw/zinc/37/28/86/1069372886.db2.gz YLRQGZGLBIKJGD-UHFFFAOYSA-N 0 3 457.667 3.694 20 0 JHADHN CN(C)C[C@@H](NC(=O)NC1CCN(Cc2ccccn2)CC1)c1ccc(Cl)c(Cl)c1 ZINC001311481624 1069397676 /nfs/dbraw/zinc/39/76/76/1069397676.db2.gz KNBLBCRHUNRFTI-OAQYLSRUSA-N 0 3 450.414 3.955 20 0 JHADHN CN(C(=O)NCc1ccc(CN2CCN(C)CC2)cc1)[C@@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC001311496425 1069406364 /nfs/dbraw/zinc/40/63/64/1069406364.db2.gz MYVGHIAOKJREBF-RPBOFIJWSA-N 0 3 450.627 3.822 20 0 JHADHN CCCCN(CC)c1nnc(C(=O)NC(C)C)n1CC1(N2CCSCC2)CCCCC1 ZINC001306688399 1069425431 /nfs/dbraw/zinc/42/54/31/1069425431.db2.gz SEOQGEVHQLHFCR-UHFFFAOYSA-N 0 3 450.697 3.794 20 0 JHADHN CSc1ccccc1OC[C@H](O)CN(C(=O)N[C@@H]1CCN(Cc2ccccc2)C1)C(C)C ZINC001311578524 1069447465 /nfs/dbraw/zinc/44/74/65/1069447465.db2.gz ODVWBDJAKSELIY-FGZHOGPDSA-N 0 3 457.640 3.843 20 0 JHADHN CN(C)[C@H](CNC(=O)NCc1ccn(-c2ccc(Br)cc2)n1)Cc1ccccc1 ZINC001311571294 1069443372 /nfs/dbraw/zinc/44/33/72/1069443372.db2.gz KEJGQKZXSFKTNT-NRFANRHFSA-N 0 3 456.388 3.607 20 0 JHADHN CC1CCN([C@H](CNC(=O)N2CCN(CC(F)(F)C(F)F)CC2)c2cccs2)CC1 ZINC001311572727 1069444518 /nfs/dbraw/zinc/44/45/18/1069444518.db2.gz NWDQMISRHCRNJZ-MRXNPFEDSA-N 0 3 450.546 3.749 20 0 JHADHN COc1cccc([C@H](CNC(=O)N[C@@H]2C[C@@H](OC(C)(C)C)[C@H]2n2cccn2)N2CCCC2)c1 ZINC001311581443 1069448704 /nfs/dbraw/zinc/44/87/04/1069448704.db2.gz QOVDJZZTIKDPRM-ACESQOTJSA-N 0 3 455.603 3.525 20 0 JHADHN O=C(NCCCOC[C@@H]1CCCO1)N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC001311589365 1069453054 /nfs/dbraw/zinc/45/30/54/1069453054.db2.gz ASWFOYJXOKGFEJ-CCDWMCETSA-N 0 3 455.574 3.679 20 0 JHADHN CCCCn1cc(Cn2c([C@H]3CCOC3)nnc2N2CCN(CCC(C)(C)C)CC2)c(C)n1 ZINC001306720904 1069456192 /nfs/dbraw/zinc/45/61/92/1069456192.db2.gz YSGWRIBOLJMTOJ-NRFANRHFSA-N 0 3 457.667 3.694 20 0 JHADHN CC[C@H](NC(=O)N(CC)[C@@H]1CCN(Cc2ccccc2)C1)c1ccccc1OCC(=O)NC ZINC001311611129 1069463035 /nfs/dbraw/zinc/46/30/35/1069463035.db2.gz ISKXJXIAYSMABQ-GGAORHGYSA-N 0 3 452.599 3.569 20 0 JHADHN C[C@@H](NC(=O)NCCCCN1CCN(Cc2ccccc2)CC1)[C@H]1OCCc2sccc21 ZINC001311629312 1069477738 /nfs/dbraw/zinc/47/77/38/1069477738.db2.gz BENUKFKQXPSBAV-HYBUGGRVSA-N 0 3 456.656 3.648 20 0 JHADHN 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ZINC001311994603 1069656865 /nfs/dbraw/zinc/65/68/65/1069656865.db2.gz QPQVLNLFSQSYRT-HXUWFJFHSA-N 0 3 452.599 3.769 20 0 JHADHN Cc1cc(F)ccc1N1CCC[C@@H](NC(=O)NCc2ccccc2CN2CCC(O)CC2)C1 ZINC001312004094 1069663943 /nfs/dbraw/zinc/66/39/43/1069663943.db2.gz YPQIHSJNQKYKPV-HSZRJFAPSA-N 0 3 454.590 3.559 20 0 JHADHN CN1CCN(CCCCNC(=O)N2CCC(COc3cc(Cl)cc(Cl)c3)CC2)CC1 ZINC001312009083 1069665892 /nfs/dbraw/zinc/66/58/92/1069665892.db2.gz FTEQCQSFDPZDOT-UHFFFAOYSA-N 0 3 457.446 3.821 20 0 JHADHN CCOc1ccc(-c2nnc(N3C[C@H](C)N(CC)C[C@@H]3C)n2CCCn2cccn2)cc1OC ZINC001314167162 1069667638 /nfs/dbraw/zinc/66/76/38/1069667638.db2.gz DDSHFIHLTXHLEZ-PMACEKPBSA-N 0 3 467.618 3.558 20 0 JHADHN CCOc1ccc(-c2nnc(N3C[C@H](C)N(CC)C[C@H]3C)n2CCCn2cccn2)cc1OC ZINC001314167164 1069668292 /nfs/dbraw/zinc/66/82/92/1069668292.db2.gz DDSHFIHLTXHLEZ-VQTJNVASSA-N 0 3 467.618 3.558 20 0 JHADHN O=C(NC[C@@H]1CCCN1Cc1ccccc1)N[C@H]1CCN(c2ccccc2Br)C1 ZINC001312016539 1069672274 /nfs/dbraw/zinc/67/22/74/1069672274.db2.gz CFUMIADNLHOCPT-PMACEKPBSA-N 0 3 457.416 3.992 20 0 JHADHN C[C@H](c1ccc(F)cc1)N1CCC[C@@H](NC(=O)NC[C@@H]2CCCN2Cc2ccccc2)C1=O ZINC001312027048 1069681738 /nfs/dbraw/zinc/68/17/38/1069681738.db2.gz XHEWDANAAWTXBK-VEXUSMLFSA-N 0 3 452.574 3.842 20 0 JHADHN CN(C)C(=O)[C@H]1CCC[C@@H](NC(=O)N(CCN(C)Cc2ccccc2)Cc2ccccc2)C1 ZINC001312027766 1069683123 /nfs/dbraw/zinc/68/31/23/1069683123.db2.gz WAZULZVXXBJJMI-LOSJGSFVSA-N 0 3 450.627 3.977 20 0 JHADHN CN(C)[C@H](CNC(=O)NCc1nnc(-c2ccc(F)cc2)[nH]1)c1cccc(C(F)(F)F)c1 ZINC001312074004 1069707065 /nfs/dbraw/zinc/70/70/65/1069707065.db2.gz NNTPWPVXXSIGNE-QGZVFWFLSA-N 0 3 450.440 3.732 20 0 JHADHN COc1ccc([C@H](NC(=O)N2CC[C@@H]3[C@H]2CCCN3CCO)c2ccccc2Cl)c(C)c1 ZINC001312091707 1069715304 /nfs/dbraw/zinc/71/53/04/1069715304.db2.gz YUAJQKWEXYLBEV-SMIHKQSGSA-N 0 3 458.002 3.987 20 0 JHADHN CCC(CC)c1cc(CNC(=O)N2CCC[C@@H](CN3CCN(c4ccccn4)CC3)C2)on1 ZINC001312106619 1069723064 /nfs/dbraw/zinc/72/30/64/1069723064.db2.gz JXTGFZJIWUUHNC-FQEVSTJZSA-N 0 3 454.619 3.717 20 0 JHADHN CN(C)CCN(CC(=O)N(C)C)C(=O)NCC1(c2cccc(C(F)(F)F)c2)CCCCC1 ZINC001312107195 1069723134 /nfs/dbraw/zinc/72/31/34/1069723134.db2.gz KCDBOIHDBBZEGU-UHFFFAOYSA-N 0 3 456.553 3.569 20 0 JHADHN CCCN(CCn1c(-c2ccccn2)nnc1N1CCN(CC2CC2)CC1)C(=O)OC(C)(C)C ZINC001307016147 1069723180 /nfs/dbraw/zinc/72/31/80/1069723180.db2.gz LEETVNFTHSUKBF-UHFFFAOYSA-N 0 3 469.634 3.519 20 0 JHADHN CCOc1ccc([C@@H]2CCCN2c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](C)N(CC)CC)cc1 ZINC001314180967 1069724489 /nfs/dbraw/zinc/72/44/89/1069724489.db2.gz UJOSMSRZUORKDN-NWSQWKLXSA-N 0 3 489.686 3.651 20 0 JHADHN CCCn1c(-c2ccc(Br)s2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 ZINC001307017929 1069727087 /nfs/dbraw/zinc/72/70/87/1069727087.db2.gz DGKPYGSLCBVDAK-DOTOQJQBSA-N 0 3 495.491 3.558 20 0 JHADHN CCCN(C)[C@@H](CNC(=O)NCCCN1C(=O)COc2ccccc21)c1ccc(Cl)cc1 ZINC001312126725 1069734410 /nfs/dbraw/zinc/73/44/10/1069734410.db2.gz BOABDKRKNNIFSV-NRFANRHFSA-N 0 3 458.990 3.838 20 0 JHADHN CCCN1CC[C@H](Cn2c(Cc3ccc(Cl)cc3)nnc2N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)C1 ZINC001307039183 1069763036 /nfs/dbraw/zinc/76/30/36/1069763036.db2.gz SFCHODHMOSYEMZ-BJLQDIEVSA-N 0 3 482.094 3.512 20 0 JHADHN O=C(NCc1ccccc1CN1CCC(O)CC1)N(Cc1cccc(F)c1)C[C@H]1CCCO1 ZINC001312203731 1069779062 /nfs/dbraw/zinc/77/90/62/1069779062.db2.gz FSLZXDYAWZDZRO-RUZDIDTESA-N 0 3 455.574 3.673 20 0 JHADHN COc1cc(OC)cc(C2(F)CCN(C(=O)NC3CCN(CCOC(C)C)CC3)CC2)c1 ZINC001312210339 1069784015 /nfs/dbraw/zinc/78/40/15/1069784015.db2.gz FGYJXBAGKDZTNH-UHFFFAOYSA-N 0 3 451.583 3.563 20 0 JHADHN CCCN1CCC(N(C)c2nnc(-c3ccccc3Br)n2CC2([S@@](C)=O)CC2)CC1 ZINC001307048929 1069795357 /nfs/dbraw/zinc/79/53/57/1069795357.db2.gz CINBZNMQHHTLJF-SSEXGKCCSA-N 0 3 494.503 3.929 20 0 JHADHN CCCN1CCC(N(C)c2nnc(-c3cn(C)c4ccccc34)n2CC[S@@](=O)CC)CC1 ZINC001307052042 1069806824 /nfs/dbraw/zinc/80/68/24/1069806824.db2.gz QPFUSUNFYIXUML-YTTGMZPUSA-N 0 3 456.660 3.516 20 0 JHADHN CCOC(=O)c1sc([C@@H]2CCN(C(=O)N[C@H]3C[C@@H](C)N(Cc4ccccc4)C3)C2)nc1C ZINC001312256352 1069814261 /nfs/dbraw/zinc/81/42/61/1069814261.db2.gz VJRBBWOBCPUZPU-AHRSYUTCSA-N 0 3 456.612 3.790 20 0 JHADHN COc1ccccc1N1CC[C@@H](NC(=O)NC[C@@H](c2ccc(CC(C)C)cc2)N(C)C)C1=O ZINC001312280203 1069834202 /nfs/dbraw/zinc/83/42/02/1069834202.db2.gz QKTKYUVTLNVPFU-GGAORHGYSA-N 0 3 452.599 3.601 20 0 JHADHN CCOc1cccc(Cn2c(CC)nnc2N2CCN(C3CCOCC3)C[C@@H]2C)c1OC(F)F ZINC001314213027 1069839715 /nfs/dbraw/zinc/83/97/15/1069839715.db2.gz ZPIAVUQYXVGWLO-KRWDZBQOSA-N 0 3 479.572 3.578 20 0 JHADHN CC(C)Oc1ccc([C@H](CNC(=O)N[C@@H]2CCCN(c3ccccc3F)C2=O)N(C)C)cc1 ZINC001312308868 1069853349 /nfs/dbraw/zinc/85/33/49/1069853349.db2.gz DOMSBRXMBKYJPD-GGAORHGYSA-N 0 3 456.562 3.710 20 0 JHADHN O=C(NC(Cc1ccccc1F)Cc1ccccc1F)N1CCN(CC2CCOCC2)CC1 ZINC001312325802 1069865180 /nfs/dbraw/zinc/86/51/80/1069865180.db2.gz MXDTXUMPUVKVCK-UHFFFAOYSA-N 0 3 457.565 3.872 20 0 JHADHN CCOC(=O)c1sc2[nH]cnc(=NC3CCN(CCOc4ccc(F)cc4)CC3)c2c1C ZINC001307069518 1069882380 /nfs/dbraw/zinc/88/23/80/1069882380.db2.gz YANSQNLQKGAZDR-UHFFFAOYSA-N 0 3 458.559 3.693 20 0 JHADHN CN(C)CCN(Cc1cccs1)C(=O)N[C@@H](c1ccc(Cl)cc1)[C@H]1CN(C)CCO1 ZINC001312427528 1069930011 /nfs/dbraw/zinc/93/00/11/1069930011.db2.gz WMAQJFOBDZQHQJ-RTWAWAEBSA-N 0 3 451.036 3.547 20 0 JHADHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N[C@H](CCO)c1cccc(OC(F)(F)F)c1 ZINC001312455440 1069949789 /nfs/dbraw/zinc/94/97/89/1069949789.db2.gz INWCFYHHULHVST-HBGVWJBISA-N 0 3 451.489 3.828 20 0 JHADHN CC[C@H](c1ccccc1)N(CC)CC(=O)N1CCN(S(=O)(=O)c2ccc(C)c(C)c2)CC1 ZINC001307441212 1069985646 /nfs/dbraw/zinc/98/56/46/1069985646.db2.gz WMCUVJCCNUYNTD-XMMPIXPASA-N 0 3 457.640 3.610 20 0 JHADHN CN(C)CCN(Cc1ccsc1)C(=O)N[C@H]1CCN(c2ccccc2C(F)(F)F)C1=O ZINC001312519707 1069987028 /nfs/dbraw/zinc/98/70/28/1069987028.db2.gz QXCPSIOOHQNONI-KRWDZBQOSA-N 0 3 454.518 3.646 20 0 JHADHN CCO[C@@H]1C[C@H](N(C)c2nnc(C3CCCC3)n2CCCN2CCC[C@H]2C(=O)N(C)C)C1(C)C ZINC001314256046 1069991413 /nfs/dbraw/zinc/99/14/13/1069991413.db2.gz WWNSESFSUZKBPX-FDFHNCONSA-N 0 3 474.694 3.518 20 0 JHADHN CCO[C@@H]1C[C@@H](N(C)c2nnc(Cc3ccc(F)cc3)n2C[C@@H](C)N2CCN(CC)CC2)C1(C)C ZINC001314256331 1069991630 /nfs/dbraw/zinc/99/16/30/1069991630.db2.gz ODWDDGQEKOPFBZ-AGILITTLSA-N 0 3 486.680 3.674 20 0 JHADHN COCCc1ccc(OC[C@@H](O)CN2CCC([C@@H]3C(=O)Nc4cc(Cl)ccc43)CC2)cc1 ZINC001307454283 1069994731 /nfs/dbraw/zinc/99/47/31/1069994731.db2.gz PASDTVWVCKZZOI-RDPSFJRHSA-N 0 3 458.986 3.717 20 0 JHADHN CCOCCN(CC)Cc1cc(I)cc(I)c1 ZINC001307460391 1069997797 /nfs/dbraw/zinc/99/77/97/1069997797.db2.gz MHFYCMXCGVZMFA-UHFFFAOYSA-N 0 3 459.109 3.754 20 0 JHADHN COC(=O)N1CCC([C@@H](C)NC(=O)N(CCN(C)C)Cc2ccc(C(F)(F)F)cc2)CC1 ZINC001312532945 1069995848 /nfs/dbraw/zinc/99/58/48/1069995848.db2.gz NEDVXLVTZNFEGW-MRXNPFEDSA-N 0 3 458.525 3.646 20 0 JHADHN CCO[C@@H]1C[C@@H](NC(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)[C@H]1Oc1ccccc1 ZINC001312540346 1070002422 /nfs/dbraw/zinc/00/24/22/1070002422.db2.gz UXBJMAYFHGGEKS-OYOWGXFISA-N 0 3 455.521 3.716 20 0 JHADHN CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)N1CCC(NC(=O)c2ccc(F)cc2)CC1 ZINC001312556287 1070011141 /nfs/dbraw/zinc/01/11/41/1070011141.db2.gz BMIGWFNUESKKBT-XMMPIXPASA-N 0 3 454.590 3.886 20 0 JHADHN C[C@@H](C(=O)Nc1cccc(CSc2ccccn2)c1)N1CCN(CC2CCOCC2)CC1 ZINC001307484404 1070011325 /nfs/dbraw/zinc/01/13/25/1070011325.db2.gz HXWCFFMOWFBFDS-FQEVSTJZSA-N 0 3 454.640 3.745 20 0 JHADHN CCOC(=O)N1CCC([C@H](C)NC(=O)NCCNC(c2ccccc2)c2ccccc2)CC1 ZINC001312564218 1070017131 /nfs/dbraw/zinc/01/71/31/1070017131.db2.gz JMVQWWRIEMTIMR-FQEVSTJZSA-N 0 3 452.599 3.922 20 0 JHADHN CCO[C@H]1CCCN(c2nnc(-c3cccc(Cl)c3)n2C[C@H](C)N2CCN(CC)CC2)C1 ZINC001314266080 1070015243 /nfs/dbraw/zinc/01/52/43/1070015243.db2.gz SHQRYHLBJQSQEC-UGKGYDQZSA-N 0 3 461.054 3.630 20 0 JHADHN Cc1ccc(C2=NO[C@H](CNC(=O)NC3CC(N4CCC(C(F)(F)F)CC4)C3)C2)cc1C ZINC001312576053 1070023953 /nfs/dbraw/zinc/02/39/53/1070023953.db2.gz SYFXWFCGNCDBSU-MHJFOBGBSA-N 0 3 452.521 3.901 20 0 JHADHN Cc1nsc(N2CCCN(CCC(=O)Nc3ccc(OCc4ccccc4)cc3)CC2)n1 ZINC001307507168 1070024398 /nfs/dbraw/zinc/02/43/98/1070024398.db2.gz SQAAOKLTSDTUNM-UHFFFAOYSA-N 0 3 451.596 3.966 20 0 JHADHN Cc1cccc(Cl)c1NC(=O)CN1CCC(C(=O)NCCN(C)Cc2ccccc2)CC1 ZINC001307507154 1070024865 /nfs/dbraw/zinc/02/48/65/1070024865.db2.gz GWXXLYWIBPGUEW-UHFFFAOYSA-N 0 3 457.018 3.547 20 0 JHADHN COc1ccc2cc(CN(C)C(=O)[C@H](C)N3CCC[C@@H]3C[C@@H](O)c3cnn(C)c3)ccc2c1 ZINC001307587048 1070066357 /nfs/dbraw/zinc/06/63/57/1070066357.db2.gz JAQDQEVCCKOYRR-XYURVEJXSA-N 0 3 450.583 3.517 20 0 JHADHN CCC[C@@H]1CN(CC(=O)Nc2sc3c(c2C(=O)OCC)CC(C)(C)NC3(C)C)CCO1 ZINC001307589916 1070068567 /nfs/dbraw/zinc/06/85/67/1070068567.db2.gz QQQKQTJRGRZKAW-OAHLLOKOSA-N 0 3 451.633 3.524 20 0 JHADHN CC[C@H](C)N[C@@H](CNC(=O)N[C@@](C)(CO)Cc1ccc(Br)cc1)c1ccco1 ZINC001312681070 1070079464 /nfs/dbraw/zinc/07/94/64/1070079464.db2.gz UPGYVJZAKYDTRT-UQASEVPWSA-N 0 3 452.393 3.764 20 0 JHADHN CCCOCc1ccccc1CNC(=O)CN1C[C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)[C@H]2C1 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ZINC001307634608 1070092732 /nfs/dbraw/zinc/09/27/32/1070092732.db2.gz DVKQYMZBGUKZJQ-CABCVRRESA-N 0 3 450.004 3.757 20 0 JHADHN Cc1cccc([C@@H](C)NCC(=O)NCCN2C(=O)S/C(=C/c3ccccc3F)C2=O)c1C ZINC001307638165 1070094750 /nfs/dbraw/zinc/09/47/50/1070094750.db2.gz XTZORLGSNSDSDP-VYVDHXHBSA-N 0 3 455.555 3.946 20 0 JHADHN CCOCc1nnc(N2CCC(C(=O)Nc3ccc(C)cn3)CC2)n1C[C@H](c1cccs1)N(C)C ZINC001314331197 1070123202 /nfs/dbraw/zinc/12/32/02/1070123202.db2.gz PIUHMIRDHMKTDR-HXUWFJFHSA-N 0 3 497.669 3.738 20 0 JHADHN CCOCc1nnc(N2CCC(c3cnn(C)c3)CC2)n1C[C@@H](c1ccc(C)cc1)N(C)C ZINC001314338743 1070135606 /nfs/dbraw/zinc/13/56/06/1070135606.db2.gz GSJIIITZJPUYLF-QHCPKHFHSA-N 0 3 451.619 3.543 20 0 JHADHN O=C(CN1CCC(c2ncc3n2CCCC3)CC1)NCc1cccc(OCC(F)(F)F)c1 ZINC001307722900 1070146802 /nfs/dbraw/zinc/14/68/02/1070146802.db2.gz AGVZDHCVNZBLTE-UHFFFAOYSA-N 0 3 450.505 3.656 20 0 JHADHN CCOCc1nnc(N2CCC(O)(C(F)(F)F)CC2)n1C[C@@H](c1ccc(OC)cc1)N1CCCC1 ZINC001314346014 1070151234 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JHADHN CCOC(=O)c1nnn(C2CCN(Cc3cnc(N(C)C)c4ccccc34)CC2)c1C(F)F ZINC001307991124 1070272172 /nfs/dbraw/zinc/27/21/72/1070272172.db2.gz JKIACKNDWCXCRH-UHFFFAOYSA-N 0 3 458.513 3.844 20 0 JHADHN CC(C)(C)OC(=O)N1CC[C@]2(CO[C@H](CN[C@@H](Cc3ccccc3)[C@@H](O)C(F)(F)F)C2)C1 ZINC001308032620 1070287144 /nfs/dbraw/zinc/28/71/44/1070287144.db2.gz CAGCNBBSYZPLQW-PSHVLCQKSA-N 0 3 458.521 3.527 20 0 JHADHN CC(C)(C)OC(=O)NC[C@H]1CCCCN1C[C@H]1C[C@]2(CCN(C(=O)OC(C)(C)C)C2)CO1 ZINC001308030891 1070286393 /nfs/dbraw/zinc/28/63/93/1070286393.db2.gz MFHQMYQVEVIEFZ-IECBHUPTSA-N 0 3 453.624 3.782 20 0 JHADHN Cc1nn(Cc2ccc(Cl)cc2)c(C)c1CN1CCC[C@@H](C(=O)N[C@H]2CCC[C@H](O)C2)C1 ZINC001308061866 1070297175 /nfs/dbraw/zinc/29/71/75/1070297175.db2.gz JVXCNEYJOHWBBF-PUHATCMVSA-N 0 3 459.034 3.833 20 0 JHADHN COC(=O)[C@@H]1CCN(CCC(=O)N[C@@H](c2cccs2)c2ccccc2)[C@H]([C@H]2CCCO2)C1 ZINC001308100648 1070311667 /nfs/dbraw/zinc/31/16/67/1070311667.db2.gz IFAFAFHVSCOGCH-OOICKAIWSA-N 0 3 456.608 3.776 20 0 JHADHN COc1cc(NC(=O)CCN[C@H]2CC(=O)N(C)[C@@H]2c2ccc(F)c(F)c2)c(OC)cc1Cl ZINC001308085326 1070307351 /nfs/dbraw/zinc/30/73/51/1070307351.db2.gz NNNVIUUEIPUEHN-HTAPYJJXSA-N 0 3 467.900 3.526 20 0 JHADHN CCN(C(=O)CNC(=O)N(CCN(C)C)Cc1ccc(C(F)(F)F)cc1)c1ccccc1 ZINC001313294824 1070319538 /nfs/dbraw/zinc/31/95/38/1070319538.db2.gz DGHAMXBAZNAAKE-UHFFFAOYSA-N 0 3 450.505 3.832 20 0 JHADHN O=S1(=O)CCC[C@H]2CN(CCCN3CCC(Cc4ccccc4)CC3)C[C@]21C(F)(F)F ZINC001308166971 1070333336 /nfs/dbraw/zinc/33/33/36/1070333336.db2.gz YYKMABUYNPKRNK-FCHUYYIVSA-N 0 3 458.590 3.773 20 0 JHADHN C[C@@H](O)c1ncc(CNC[C@@H]2CCCN2Cc2ccc(I)cc2)s1 ZINC001308385907 1070366025 /nfs/dbraw/zinc/36/60/25/1070366025.db2.gz QEUPRZXUEVCIKP-CJNGLKHVSA-N 0 3 457.381 3.555 20 0 JHADHN COCC1(CNCc2cc3c(C)nn(C)c3nc2Cl)CCN(C(=O)OC(C)(C)C)CC1 ZINC001308401062 1070370535 /nfs/dbraw/zinc/37/05/35/1070370535.db2.gz HMQROXSFWFWUMB-UHFFFAOYSA-N 0 3 451.999 3.683 20 0 JHADHN CC(C)(C)OC(=O)N1c2ccccc2CC[C@@H]1CCNCc1ccc(S(N)(=O)=O)s1 ZINC001308455153 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JWBKFNUACOCRBO-WBVHZDCISA-N 0 3 450.580 3.792 20 0 JHADHN CC(C)N(C)Cc1cc(O[C@@H]2CCN(C[C@@H](CC(F)F)NC(=O)OC(C)(C)C)C2)ccn1 ZINC001308876165 1070453380 /nfs/dbraw/zinc/45/33/80/1070453380.db2.gz JXOSDIHKYJETLS-UYAOXDASSA-N 0 3 456.578 3.923 20 0 JHADHN CC(C)N(C)Cc1cc(O[C@H]2CCN(C[C@H](CC(F)F)NC(=O)OC(C)(C)C)C2)ccn1 ZINC001308876161 1070453536 /nfs/dbraw/zinc/45/35/36/1070453536.db2.gz JXOSDIHKYJETLS-ICSRJNTNSA-N 0 3 456.578 3.923 20 0 JHADHN Cn1cc([C@H]2C[C@@H](C(=O)OC(C)(C)C)CN(CC(C)(C)CNC(=O)OC(C)(C)C)C2)cn1 ZINC001308907394 1070457567 /nfs/dbraw/zinc/45/75/67/1070457567.db2.gz WLMWEGAZHROKTN-ZWKOTPCHSA-N 0 3 450.624 3.718 20 0 JHADHN C[C@H]1CN(Cc2ccccc2)C[C@@]2(CCN(C[C@@H]3COC(C)(C)N3C(=O)OC(C)(C)C)C2)O1 ZINC001308913761 1070459121 /nfs/dbraw/zinc/45/91/21/1070459121.db2.gz FCEFXBVPBUYTRG-HXAGEGRHSA-N 0 3 459.631 3.724 20 0 JHADHN CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(Cc2c(F)cccc2F)n1C[C@@H]1CCCN(C(C)C)C1 ZINC001314520132 1070503886 /nfs/dbraw/zinc/50/38/86/1070503886.db2.gz 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VFRUKEIFVIKZIB-DGUDUIIESA-N 0 3 471.646 3.822 20 0 JHADHN COC(=O)c1ccc(C(F)(F)F)cc1S(=O)(=O)NCC(C)(C)N1C[C@@H](C)C[C@H](C)C1 ZINC001309100024 1070539780 /nfs/dbraw/zinc/53/97/80/1070539780.db2.gz KUTJUUXHORRVQQ-KBPBESRZSA-N 0 3 450.523 3.527 20 0 JHADHN CC[S@](=O)CCn1c(CSc2ccccc2OC)nnc1N1CCCN(C(C)(C)C)CC1 ZINC001314577821 1070587249 /nfs/dbraw/zinc/58/72/49/1070587249.db2.gz IRKAJIFHMIOPEF-YTTGMZPUSA-N 0 3 479.716 3.658 20 0 JHADHN CCSc1cc(Cn2c(N3CC[C@H](N4CCN(C(C)C)CC4)C3)nnc2C(C)(C)C)ccn1 ZINC001314588205 1070612236 /nfs/dbraw/zinc/61/22/36/1070612236.db2.gz FYCBHSYSNLSOPS-NRFANRHFSA-N 0 3 471.719 3.736 20 0 JHADHN CCCOCc1ccccc1Cn1c(N2CC[C@H](N3CCN(CC)CC3)C2)nnc1C(C)(C)C ZINC001313532577 1070618886 /nfs/dbraw/zinc/61/88/86/1070618886.db2.gz GINYVOFUVAAQBL-DEOSSOPVSA-N 0 3 468.690 3.767 20 0 JHADHN CCN(C[C@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1ccc(C(=O)OC)cc1Cl ZINC001309246510 1070641578 /nfs/dbraw/zinc/64/15/78/1070641578.db2.gz VXONGLIENMVHGC-SFHVURJKSA-N 0 3 450.988 3.659 20 0 JHADHN CC(=O)N1CC[C@H](C)c2ccc(S(=O)(=O)N[C@@H]3CCN(Cc4ccccc4)C[C@H]3C)cc21 ZINC001309247693 1070642519 /nfs/dbraw/zinc/64/25/19/1070642519.db2.gz AFOBMQYJVSBQIY-XLNZFTOWSA-N 0 3 455.624 3.736 20 0 JHADHN CC(=O)N1CC[C@H](C)c2ccc(S(=O)(=O)N[C@@H]3CCN(Cc4ccccc4)C[C@@H]3C)cc21 ZINC001309247690 1070642532 /nfs/dbraw/zinc/64/25/32/1070642532.db2.gz AFOBMQYJVSBQIY-AXHZCLLHSA-N 0 3 455.624 3.736 20 0 JHADHN CCN(C(=O)OC(C)(C)C)[C@H](C)Cn1c(C2CCCC2)nnc1N1CCN(C2CCOCC2)CC1 ZINC001313546490 1070654880 /nfs/dbraw/zinc/65/48/80/1070654880.db2.gz MUBNQDZHIUWJKT-HXUWFJFHSA-N 0 3 490.693 3.882 20 0 JHADHN CCN(C(=O)OC(C)(C)C)[C@H](C)Cn1c(CC(C)C)nnc1N1CCN(C2CCOCC2)C[C@@H]1C ZINC001313547276 1070658993 /nfs/dbraw/zinc/65/89/93/1070658993.db2.gz WJXXPPPQBNOKMT-LEWJYISDSA-N 0 3 492.709 3.812 20 0 JHADHN CCN(c1nnc(-c2ccc(C(C)(C)C)cc2)n1CC(C)(C)CN(C)C)[C@H]1CCS(=O)(=O)C1 ZINC001313586855 1070712061 /nfs/dbraw/zinc/71/20/61/1070712061.db2.gz VXDJBLDMNLIFJG-NRFANRHFSA-N 0 3 475.703 3.844 20 0 JHADHN 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CN(C)C(=O)[C@H]1CCCN1CCCn1c(N(Cc2ccccc2)C[C@@H]2CCCO2)nnc1C(C)(C)C ZINC001314630021 1070729314 /nfs/dbraw/zinc/72/93/14/1070729314.db2.gz VBHPNKRENNUKEB-BJKOFHAPSA-N 0 3 496.700 3.704 20 0 JHADHN CCN(c1nnc(Cc2ccc(Cl)cc2)n1CC1(N(C)C)CCCCC1)[C@H]1CCS(=O)(=O)C1 ZINC001313609059 1070733447 /nfs/dbraw/zinc/73/34/47/1070733447.db2.gz GMRMNYOMSDDEKF-NRFANRHFSA-N 0 3 494.105 3.800 20 0 JHADHN Cc1ccc([C@@H]2CN(Cc3ccccc3)C[C@H]2S(=O)(=O)NCC(C)(C)[C@H](O)C(C)C)cc1 ZINC001309372572 1070731192 /nfs/dbraw/zinc/73/11/92/1070731192.db2.gz CZCVFHJNGKQCLT-ISJGIBHGSA-N 0 3 458.668 3.926 20 0 JHADHN CN(C)[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](OC(C)(C)C)C1)c1cccs1 ZINC001314649013 1070753689 /nfs/dbraw/zinc/75/36/89/1070753689.db2.gz KMHHKMMJIUHYRD-OALUTQOASA-N 0 3 457.648 3.827 20 0 JHADHN CN(C)[C@H](Cn1c(-c2cnccn2)nnc1N1CCC([C@@](C)(O)C(F)(F)F)CC1)c1cccs1 ZINC001314650806 1070759474 /nfs/dbraw/zinc/75/94/74/1070759474.db2.gz UFAKNWBWJRTMRG-DYESRHJHSA-N 0 3 495.575 3.629 20 0 JHADHN CN(C)C1(Cn2c(-c3ccc(Cl)cc3F)nnc2N(CCS(C)(=O)=O)C2CC2)CCCC1 ZINC001314654313 1070768251 /nfs/dbraw/zinc/76/82/51/1070768251.db2.gz YOFWHRYIGSDVOM-UHFFFAOYSA-N 0 3 484.041 3.625 20 0 JHADHN Cc1ccc([C@@H]2CN(Cc3ccccc3)C[C@H]2S(=O)(=O)N[C@@H](CCO)Cc2ccccc2)cc1 ZINC001309435814 1070768574 /nfs/dbraw/zinc/76/85/74/1070768574.db2.gz XCPKSECEDZTTKM-HZFUHODCSA-N 0 3 478.658 3.876 20 0 JHADHN CN(C)[C@H](Cn1c([C@H]2CCCO2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1)c1ccc(F)cc1 ZINC001314655039 1070770952 /nfs/dbraw/zinc/77/09/52/1070770952.db2.gz ZNOPOZQLCMLUKA-NJDAHSKKSA-N 0 3 488.608 3.675 20 0 JHADHN CCN(CC)C(=O)N1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@H](c2ccco2)N(CC)CC)CC1 ZINC001313651811 1070827642 /nfs/dbraw/zinc/82/76/42/1070827642.db2.gz AAMFRJLJTJCGAS-NRFANRHFSA-N 0 3 482.633 3.533 20 0 JHADHN CCN(CC)[C@@H](C)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCC[C@H](S(C)(=O)=O)C1 ZINC001313657668 1070856110 /nfs/dbraw/zinc/85/61/10/1070856110.db2.gz NIMNXFRUWDUZKD-RDJZCZTQSA-N 0 3 488.485 3.996 20 0 JHADHN CC(C)Cc1ccc([C@@H](CNS(=O)(=O)c2ccc(Br)nc2F)N(C)C)cc1 ZINC001309560436 1070857876 /nfs/dbraw/zinc/85/78/76/1070857876.db2.gz YXZREFPMNQTLAO-MRXNPFEDSA-N 0 3 458.397 3.763 20 0 JHADHN CCN(CC)[C@H](Cn1c(C(C)C)nnc1N1CCN(CC(=O)N2CCCCCC2)CC1)c1ccco1 ZINC001313664060 1070875086 /nfs/dbraw/zinc/87/50/86/1070875086.db2.gz KMHKDKMDCNERRN-HSZRJFAPSA-N 0 3 499.704 3.602 20 0 JHADHN CCN(CC)[C@@H](Cn1c(C)nnc1N1CCC[C@@H](C(=O)Nc2ccc(C)cn2)C1)c1ccco1 ZINC001313666866 1070886476 /nfs/dbraw/zinc/88/64/76/1070886476.db2.gz YFJPBIBSCOOHQQ-RTWAWAEBSA-N 0 3 465.602 3.821 20 0 JHADHN CN(C)[C@@H](Cn1c(CC2CC2)nnc1N(C)CC(=O)Nc1cc(F)cc(F)c1)c1cccs1 ZINC001314711673 1070892958 /nfs/dbraw/zinc/89/29/58/1070892958.db2.gz KPXXRMVNDCXYAK-IBGZPJMESA-N 0 3 474.581 3.948 20 0 JHADHN CCN(CC)[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CCO[C@](C)(C(C)(C)C)C1)c1ccco1 ZINC001313674036 1070909967 /nfs/dbraw/zinc/90/99/67/1070909967.db2.gz HVVDMWCHKGZLFN-FNZWTVRRSA-N 0 3 486.661 3.718 20 0 JHADHN 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CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccccc3C)n2C[C@@H]2CCC[C@@H]2C)CC1 ZINC001313699529 1070974193 /nfs/dbraw/zinc/97/41/93/1070974193.db2.gz LQUHJERSMRCXPV-UNMCSNQZSA-N 0 3 452.647 3.680 20 0 JHADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@@H](C)Oc3ccccc3F)n2[C@@H]2C[C@H]2C(C)C)CC1 ZINC001313701098 1070978683 /nfs/dbraw/zinc/97/86/83/1070978683.db2.gz QYWJPUZVQDZXBH-RZUBCFFCSA-N 0 3 486.636 3.765 20 0 JHADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccccc3C)n2Cc2ccc(C)s2)CC1 ZINC001313700414 1070977375 /nfs/dbraw/zinc/97/73/75/1070977375.db2.gz XBMSCRRWPDUDCP-UHFFFAOYSA-N 0 3 466.655 3.662 20 0 JHADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CC(C)C)CC1 ZINC001313700485 1070977454 /nfs/dbraw/zinc/97/74/54/1070977454.db2.gz FCGZVXZRSODLNY-IBGZPJMESA-N 0 3 477.053 3.718 20 0 JHADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CC(C)C)CC1 ZINC001313700486 1070977538 /nfs/dbraw/zinc/97/75/38/1070977538.db2.gz FCGZVXZRSODLNY-LJQANCHMSA-N 0 3 477.053 3.718 20 0 JHADHN CCN(CC)CC(=O)N1CCN(c2nnc(C3CCC3)n2Cc2cccc(Cl)c2C)CC1 ZINC001313702197 1070983517 /nfs/dbraw/zinc/98/35/17/1070983517.db2.gz BDANWSCODIYSMD-UHFFFAOYSA-N 0 3 459.038 3.546 20 0 JHADHN CCN(CC)CC(=O)N1CCN(c2nnc(C3CCC3)n2CC(C)(C)c2ccc(OC)cc2)CC1 ZINC001313704284 1070989682 /nfs/dbraw/zinc/98/96/82/1070989682.db2.gz MRYBMPJOLDRGEQ-UHFFFAOYSA-N 0 3 482.673 3.522 20 0 JHADHN CN(C)[C@@H](Cn1c(Cc2ccsc2)nnc1N(C)Cc1cnn(C)c1)c1ccc(F)cc1 ZINC001314760361 1071016723 /nfs/dbraw/zinc/01/67/23/1071016723.db2.gz JPCUGGQGGLVAIN-NRFANRHFSA-N 0 3 453.591 3.742 20 0 JHADHN CC(C)[C@@H]1C[C@@H](N2CCCC2)CN1S(=O)(=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC001309944153 1071024890 /nfs/dbraw/zinc/02/48/90/1071024890.db2.gz WYULWLYQGLSDGC-GGAORHGYSA-N 0 3 459.587 3.961 20 0 JHADHN CCCN(C)[C@@H](CNC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)c1ccc(Cl)cc1 ZINC001309985483 1071039813 /nfs/dbraw/zinc/03/98/13/1071039813.db2.gz ZHILMFBIZSOOBG-FQEVSTJZSA-N 0 3 453.008 3.795 20 0 JHADHN CN(C)[C@@H](Cn1c(CC(C)(C)C)nnc1N(C)Cc1ncnn1CC(F)F)c1cccs1 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DDKWCGFPXNBRST-UHFFFAOYSA-N 0 3 456.562 3.717 20 0 JHADHN CCN(C[C@@H]1CCCO1)c1nnc([C@H]2CCCCO2)n1C[C@H](c1cccc(OC)c1)N(C)C ZINC001313781121 1071145513 /nfs/dbraw/zinc/14/55/13/1071145513.db2.gz SFMBDYQVWMLBDP-YTFSRNRJSA-N 0 3 457.619 3.837 20 0 JHADHN CCN(C[C@H]1CCN(c2nnc([C@H]3CCCCO3)n2CCN2CCCCC2)C1)CC(F)(F)F ZINC001313785230 1071158843 /nfs/dbraw/zinc/15/88/43/1071158843.db2.gz JMSFPCWDPXTBPE-WOJBJXKFSA-N 0 3 472.600 3.716 20 0 JHADHN CCN(CCc1ccccc1)c1nnc([C@H]2CCS(=O)(=O)C2)n1C[C@H](C1CCCCC1)N(C)C ZINC001313790436 1071182964 /nfs/dbraw/zinc/18/29/64/1071182964.db2.gz CJZFORPWLRHGNE-BJKOFHAPSA-N 0 3 487.714 3.760 20 0 JHADHN CCN(C(=O)Nc1cc(Br)ccc1I)[C@@H]1CCN(C)C1 ZINC001310183190 1071189343 /nfs/dbraw/zinc/18/93/43/1071189343.db2.gz BKOCCTZVFTVJKH-LLVKDONJSA-N 0 3 452.134 3.612 20 0 JHADHN COCCOC(=O)Nc1cccc(NC(=O)NC[C@H](c2ccc(OC)cc2)N2CCCC2)c1 ZINC001310184796 1071190888 /nfs/dbraw/zinc/19/08/88/1071190888.db2.gz YIXJZVRZRKNFCC-JOCHJYFZSA-N 0 3 456.543 3.849 20 0 JHADHN CCN(CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)Cc1cccs1)C(C)C ZINC001313801970 1071206681 /nfs/dbraw/zinc/20/66/81/1071206681.db2.gz AMMXAQXRFWNZKE-UHFFFAOYSA-N 0 3 461.657 3.777 20 0 JHADHN CCN(CCn1c(-c2cccc(Cl)c2)nnc1N1CC[C@@]2(CNC(=O)C2)C1)CCC(F)(F)F ZINC001313802962 1071209756 /nfs/dbraw/zinc/20/97/56/1071209756.db2.gz LSJVHQYUNHPLKT-OAQYLSRUSA-N 0 3 484.954 3.589 20 0 JHADHN CCN(CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCC[C@H](OC)C1)CCC(F)(F)F ZINC001313807236 1071227208 /nfs/dbraw/zinc/22/72/08/1071227208.db2.gz HKGGESJVRIWGDD-KRWDZBQOSA-N 0 3 469.508 3.563 20 0 JHADHN CCN(CCn1c(-c2ccccn2)nnc1N1CCO[C@H](c2ccco2)C1)CCC(F)(F)F ZINC001313808603 1071233789 /nfs/dbraw/zinc/23/37/89/1071233789.db2.gz CBZVWMSRTOQECK-IBGZPJMESA-N 0 3 464.492 3.785 20 0 JHADHN CCN(CCn1c(-c2cccnc2)nnc1N1CCC([C@H]2CCOC2)CC1)CCC(F)(F)F ZINC001313808973 1071235098 /nfs/dbraw/zinc/23/50/98/1071235098.db2.gz FSBCJOYCPRVQQP-FQEVSTJZSA-N 0 3 466.552 3.867 20 0 JHADHN CCN(CCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCC[C@@H](OC)C1)CCC(F)(F)F ZINC001313812515 1071250881 /nfs/dbraw/zinc/25/08/81/1071250881.db2.gz ZZCCBFLDSBVAIO-GOSISDBHSA-N 0 3 483.535 3.606 20 0 JHADHN CCN(CCn1c(-c2ccc(Cl)nc2)nnc1N1CC[C@@H]2[C@@H](COC)[C@@H]2C1)CCC(F)(F)F ZINC001313812483 1071250929 /nfs/dbraw/zinc/25/09/29/1071250929.db2.gz ZDCODIKGGFDKKP-RCCFBDPRSA-N 0 3 486.970 3.987 20 0 JHADHN CCN(CCn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCOC(C)(C)C1)CCC(F)(F)F ZINC001313812077 1071249405 /nfs/dbraw/zinc/24/94/05/1071249405.db2.gz RFFNDZGHHXPIMB-UHFFFAOYSA-N 0 3 485.551 3.852 20 0 JHADHN CCN(CCn1c(-c2c[nH]c3ccccc32)nnc1N(C)[C@H]1CCOC1)CCC(F)(F)F ZINC001313812876 1071252911 /nfs/dbraw/zinc/25/29/11/1071252911.db2.gz PVIXJQLTTJEUCW-INIZCTEOSA-N 0 3 450.509 3.926 20 0 JHADHN C[C@@]1(NC(=O)Nc2ccc(NC(=O)NC[C@@H]3CCCO3)cc2)CCN(Cc2ccccc2)C1 ZINC001310275992 1071259551 /nfs/dbraw/zinc/25/95/51/1071259551.db2.gz FKAFWPPITAJADG-WIOPSUGQSA-N 0 3 451.571 3.773 20 0 JHADHN CN(CCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@H](OCC(F)(F)F)C1)Cc1ccc(F)cc1 ZINC001314866037 1071268942 /nfs/dbraw/zinc/26/89/42/1071268942.db2.gz PSQQGMJFUBFQPB-CTNGQTDRSA-N 0 3 499.553 3.991 20 0 JHADHN C[C@H]1CCN(C(=O)Nc2ccc(S(=O)(=O)N(C)C3CC3)cc2)CCN1Cc1ccccc1 ZINC001310292017 1071275580 /nfs/dbraw/zinc/27/55/80/1071275580.db2.gz NDIVZZFURHMRON-IBGZPJMESA-N 0 3 456.612 3.598 20 0 JHADHN CN(CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C2CCCC2)CC1)CC(F)(F)F ZINC001314868050 1071276032 /nfs/dbraw/zinc/27/60/32/1071276032.db2.gz WFHSXPKZHKIXAZ-WOJBJXKFSA-N 0 3 486.627 3.755 20 0 JHADHN CN(C)[C@@H](Cn1c(CC2CCCC2)nnc1N(C)CCN1CCOC(C)(C)C1)c1ccc(F)cc1 ZINC001314871538 1071284214 /nfs/dbraw/zinc/28/42/14/1071284214.db2.gz CCMXAHBIFHIEER-DEOSSOPVSA-N 0 3 486.680 4.000 20 0 JHADHN CCN(CCS(C)(=O)=O)c1nnc(-c2ccccc2C)n1CC(C)(C)N1CCC[C@@H](C)C1 ZINC001313824300 1071291008 /nfs/dbraw/zinc/29/10/08/1071291008.db2.gz AHUQSIOKKLEJSM-LJQANCHMSA-N 0 3 461.676 3.635 20 0 JHADHN C[C@H]1CN(C2CCOCC2)CCN1C(=O)Nc1cccc(C[S@](=O)Cc2ccccc2)c1 ZINC001310309715 1071290782 /nfs/dbraw/zinc/29/07/82/1071290782.db2.gz IHPKIVJVPXKIAW-MQFAKOPTSA-N 0 3 455.624 3.853 20 0 JHADHN CCN(CCS(C)(=O)=O)c1nnc(Cc2ccc(F)cc2)n1CC(C)(C)N1C[C@H](C)C[C@@H](C)C1 ZINC001313826480 1071296299 /nfs/dbraw/zinc/29/62/99/1071296299.db2.gz SHKGSBYLINPCLM-WOJBJXKFSA-N 0 3 493.693 3.635 20 0 JHADHN Cc1ccc([C@H](CNC(=O)Nc2ccc(F)c(S(=O)(=O)NC(C)(C)C)c2)N(C)C)cc1 ZINC001310331605 1071313125 /nfs/dbraw/zinc/31/31/25/1071313125.db2.gz JXYOFLUGNYNYKZ-IBGZPJMESA-N 0 3 450.580 3.635 20 0 JHADHN CN(CCS(C)(=O)=O)c1nnc(-c2ccc(C(C)(C)C)cc2)n1CC(C)(C)CN1CCCC1 ZINC001314885811 1071314226 /nfs/dbraw/zinc/31/42/26/1071314226.db2.gz GGMHXGIFETVSBK-UHFFFAOYSA-N 0 3 475.703 3.845 20 0 JHADHN Cc1nc(C)n(Cc2cccc(NC(=O)NCC3(N4CCOC(C)(C)C4)CCCCC3)c2)n1 ZINC001310379528 1071353909 /nfs/dbraw/zinc/35/39/09/1071353909.db2.gz YBFJYECSDZTSPJ-UHFFFAOYSA-N 0 3 454.619 3.878 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC(C)(C)COC)C[C@H]1C ZINC001313858706 1071359802 /nfs/dbraw/zinc/35/98/02/1071359802.db2.gz HGSGXARNMSSPAN-WOJBJXKFSA-N 0 3 456.635 3.739 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@@H]2CCC=CO2)C[C@@H]1C ZINC001313858546 1071359930 /nfs/dbraw/zinc/35/99/30/1071359930.db2.gz BNCPNFLKEUGBLV-BJLQDIEVSA-N 0 3 471.602 3.583 20 0 JHADHN CCN1C[C@H](C)N(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC(C)(C)c2ccccn2)C[C@H]1C ZINC001313858633 1071361139 /nfs/dbraw/zinc/36/11/39/1071361139.db2.gz BKTRXYYZSXZNJC-YZIHRLCOSA-N 0 3 470.662 3.610 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(C(=O)N3CCCC3)n2Cc2ccccc2C(F)(F)F)C[C@@H]1C ZINC001313858735 1071361870 /nfs/dbraw/zinc/36/18/70/1071361870.db2.gz HRQLMRCYEGIXJZ-DLBZAZTESA-N 0 3 464.536 3.500 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(-c3ccc(C)c(Br)c3)n2CC(C)(C)O)C[C@H]1C ZINC001313860914 1071372252 /nfs/dbraw/zinc/37/22/52/1071372252.db2.gz NEXQEHPXORRWNA-HZPDHXFCSA-N 0 3 450.425 3.706 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(-c3cc(OC)cc(OC)c3)n2CC2(C(=O)N(C)C)CCCC2)C[C@@H]1C ZINC001313861646 1071375651 /nfs/dbraw/zinc/37/56/51/1071375651.db2.gz QFWLGZRJBDABBL-VQTJNVASSA-N 0 3 498.672 3.530 20 0 JHADHN CCN1C[C@H](C)N(c2nnc([C@H](C)Oc3cccc(C)c3C)n2CCCc2cnn(C)n2)C[C@H]1C ZINC001313862361 1071376119 /nfs/dbraw/zinc/37/61/19/1071376119.db2.gz PYVZNRALSVDYIJ-URVUXULASA-N 0 3 480.661 3.715 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3ccc(Cl)cc3OC)n2CCc2nnc(C)s2)C[C@H]1C ZINC001313862434 1071377599 /nfs/dbraw/zinc/37/75/99/1071377599.db2.gz AEUZBLGLQFYJDD-CABCVRRESA-N 0 3 476.050 3.929 20 0 JHADHN CCN1C[C@H](C)N(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@@H]2CC(F)(F)CO2)C[C@@H]1C ZINC001313861946 1071376439 /nfs/dbraw/zinc/37/64/39/1071376439.db2.gz OJHBWVOQYRZGHJ-BOSXTWCSSA-N 0 3 467.536 3.900 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3cnn(C)c3)n2CCc2cc(Br)ccc2F)C[C@H]1C ZINC001313864009 1071384106 /nfs/dbraw/zinc/38/41/06/1071384106.db2.gz LHNDFRXYFVMWAR-CVEARBPZSA-N 0 3 490.425 3.742 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3cccc(Cl)c3)n2CC(C)(C)N2CCOCC2)C[C@H]1C ZINC001313864132 1071385211 /nfs/dbraw/zinc/38/52/11/1071385211.db2.gz XINAVSXMOHCNCX-MOPGFXCFSA-N 0 3 461.054 3.628 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3ccc4c(c3)OCO4)n2C[C@@H](C)NC(=O)OC(C)(C)C)C[C@H]1C ZINC001313864711 1071388055 /nfs/dbraw/zinc/38/80/55/1071388055.db2.gz GTMVVDPPIXDNBI-KURKYZTESA-N 0 3 486.617 3.506 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3ccc(Cl)nc3)n2CCNC(=O)c2ccc(C)cc2)C[C@@H]1C ZINC001313864765 1071388104 /nfs/dbraw/zinc/38/81/04/1071388104.db2.gz HBUFAPUNJFVQOT-OALUTQOASA-N 0 3 482.032 3.651 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(-c3cccc(C)n3)n2Cc2ccc(F)c(COC)c2)C[C@@H]1C ZINC001313865036 1071390178 /nfs/dbraw/zinc/39/01/78/1071390178.db2.gz NOONWIVBOBINFK-RBUKOAKNSA-N 0 3 452.578 3.901 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(Cl)cc2)C[C@H]1C ZINC001313865246 1071390967 /nfs/dbraw/zinc/39/09/67/1071390967.db2.gz YRDITIBSZQSTJR-IAGOWNOFSA-N 0 3 453.978 3.546 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(CCCc3ccccc3)n2CC2CCN(C(=O)OC)CC2)C[C@@H]1C ZINC001313867221 1071399292 /nfs/dbraw/zinc/39/92/92/1071399292.db2.gz IMHHTSAQUUOSCA-FCHUYYIVSA-N 0 3 482.673 3.851 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(CCc3ccc(OC)cc3)n2C[C@@](C)(OC)C2CC2)C[C@@H]1C ZINC001313867570 1071400829 /nfs/dbraw/zinc/40/08/29/1071400829.db2.gz KFKUUJVBNUBWSZ-CUVVAGTFSA-N 0 3 455.647 3.806 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(Cc3ccccc3F)n2CCCNc2ccccn2)C[C@H]1C ZINC001313868116 1071402685 /nfs/dbraw/zinc/40/26/85/1071402685.db2.gz AQEVXPYMDIFWQE-UXHICEINSA-N 0 3 451.594 3.824 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3ccccc3Br)n2CCSCCCO)C[C@@H]1C ZINC001313868550 1071405375 /nfs/dbraw/zinc/40/53/75/1071405375.db2.gz BSPSDWCPMUIJSP-IRXDYDNUSA-N 0 3 482.492 3.742 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3cccn3C)n2Cc2ccc(NC(=O)NC(C)C)cc2)C[C@H]1C ZINC001313870045 1071411362 /nfs/dbraw/zinc/41/13/62/1071411362.db2.gz FBVAEWMMMXHWHH-UXHICEINSA-N 0 3 478.645 3.781 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(Cc3ccsc3)n2CCNC(=O)c2ccc(C)cc2)C[C@@H]1C ZINC001313870177 1071412277 /nfs/dbraw/zinc/41/22/77/1071412277.db2.gz SUIKDACCVYVCEL-PMACEKPBSA-N 0 3 466.655 3.588 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(Cc3ccccc3C)n2CCCN(C)CC(F)(F)F)C[C@@H]1C ZINC001313870603 1071414260 /nfs/dbraw/zinc/41/42/60/1071414260.db2.gz FBSNDDFCZIBDIC-PMACEKPBSA-N 0 3 466.596 3.980 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3ccc[nH]3)n2Cc2ccc(NC(=O)NC(C)C)cc2)C[C@@H]1C ZINC001313871647 1071415847 /nfs/dbraw/zinc/41/58/47/1071415847.db2.gz GWBPVSXORZTZKQ-OALUTQOASA-N 0 3 464.618 3.770 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(-c3ccc(Cl)nc3)n2Cc2cccc(C(=O)N(C)C)c2)C[C@@H]1C ZINC001313871478 1071416646 /nfs/dbraw/zinc/41/66/46/1071416646.db2.gz UAKFLDMPYCBQSW-ZWKOTPCHSA-N 0 3 482.032 3.663 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(-c3ccccn3)n2CCc2nc(C(F)(F)F)cs2)C[C@H]1C ZINC001313872199 1071420086 /nfs/dbraw/zinc/42/00/86/1071420086.db2.gz JIUAHHKANWQCQA-HUUCEWRRSA-N 0 3 465.549 3.977 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3ccc(Cl)cc3OC)n2Cc2nnc(C)s2)C[C@H]1C ZINC001313872442 1071420785 /nfs/dbraw/zinc/42/07/85/1071420785.db2.gz XJEQZLFELYJPFO-KGLIPLIRSA-N 0 3 462.023 3.734 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(-c3ccc(F)cc3Br)n2CCc2ccn(C)n2)C[C@@H]1C ZINC001313872435 1071420937 /nfs/dbraw/zinc/42/09/37/1071420937.db2.gz XHFGRAYTEGYACE-JKSUJKDBSA-N 0 3 490.425 3.742 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3ccccc3Br)n2C[C@@H]2NC(=O)CC2(C)C)C[C@H]1C ZINC001313872651 1071421902 /nfs/dbraw/zinc/42/19/02/1071421902.db2.gz JZIFPVFPJLPIAI-GJYPPUQNSA-N 0 3 489.462 3.541 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@]2(O)CCO[C@H]2C)C[C@H]1C ZINC001313873919 1071426487 /nfs/dbraw/zinc/42/64/87/1071426487.db2.gz FFWFEHWYMOHEKZ-XPGVTRPJSA-N 0 3 498.455 3.623 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(Cc3ccncc3)n2C[C@H](C)Oc2ccc(F)cc2)C[C@H]1C ZINC001313876865 1071439330 /nfs/dbraw/zinc/43/93/30/1071439330.db2.gz SNYWXXIKQQRFHA-AABGKKOBSA-N 0 3 452.578 3.789 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(CNC(=O)c3cccs3)n2Cc2cc(F)ccc2F)C[C@@H]1C ZINC001313875991 1071436682 /nfs/dbraw/zinc/43/66/82/1071436682.db2.gz NOMLBARJDBEXKG-JKSUJKDBSA-N 0 3 474.581 3.515 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3cccnc3)n2C[C@@H]2[C@H](C)CCN2C(=O)OC(C)(C)C)C[C@H]1C ZINC001313877933 1071443983 /nfs/dbraw/zinc/44/39/83/1071443983.db2.gz XWBVWOKYCJNIAO-XWSHUIEDSA-N 0 3 483.661 3.905 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(-c3ccccn3)n2CCc2ccc(OC)cc2OC)C[C@@H]1C ZINC001313878834 1071446040 /nfs/dbraw/zinc/44/60/40/1071446040.db2.gz ZAFVVLMYBMGSGO-RBUKOAKNSA-N 0 3 450.587 3.519 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(Cc3cccnc3)n2CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)C[C@H]1C ZINC001313879077 1071447646 /nfs/dbraw/zinc/44/76/46/1071447646.db2.gz YPNTVSZTABFEAK-FSSWDIPSSA-N 0 3 497.688 3.830 20 0 JHADHN CCN1C[C@H](C)N(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CC2CCN(C(=O)OC)CC2)C[C@H]1C ZINC001313880761 1071453179 /nfs/dbraw/zinc/45/31/79/1071453179.db2.gz AOGZMAZVWFMOOK-NPDDRXJXSA-N 0 3 490.693 3.594 20 0 JHADHN CCN1C[C@H](C)N(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H]2CC(F)(F)CO2)C[C@@H]1C ZINC001313881308 1071454262 /nfs/dbraw/zinc/45/42/62/1071454262.db2.gz CANWPBRNWPYFQO-LTFXXXRZSA-N 0 3 455.594 3.540 20 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CCOC(=O)N(C)C1CCN(c2nnc(C(C)(C)C)n2C[C@@H](c2cccc(OC)c2)N(C)C)CC1 ZINC001314007409 1071743366 /nfs/dbraw/zinc/74/33/66/1071743366.db2.gz KZCDNNOXZJAUGA-QFIPXVFZSA-N 0 3 486.661 3.944 20 0 JHADHN CCOC(=O)N[C@H]1CCCN(c2nnc([C@H](C)CC)n2CCCN2CCN(c3ccccc3)CC2)C1 ZINC001314036528 1071827360 /nfs/dbraw/zinc/82/73/60/1071827360.db2.gz OKTIXVOGRCUIJU-PKTZIBPZSA-N 0 3 497.688 3.719 20 0 JHADHN CCOC(=O)N[C@@H]1CCCN(c2nnc([C@H]3CCCO3)n2C[C@@H](c2ccsc2)N(CC)CC)C1 ZINC001314044776 1071858093 /nfs/dbraw/zinc/85/80/93/1071858093.db2.gz VSEQJMPLDLWVPA-QHAWAJNXSA-N 0 3 490.674 3.989 20 0 JHADHN CCO[C@H](CCn1c(C(=O)NC(C)C)nnc1N1CCN(C2CCC(C)CC2)CC1)C(C)C ZINC001314061482 1071898703 /nfs/dbraw/zinc/89/87/03/1071898703.db2.gz UMYRZOVKRTWVBL-LZBANZJXSA-N 0 3 462.683 3.568 20 0 JHADHN CCO[C@@H](Cn1c(C(=O)NC(C)C)nnc1N1CCN(CCC(C)(C)C)CC1)c1ccccc1 ZINC001314076556 1071934041 /nfs/dbraw/zinc/93/40/41/1071934041.db2.gz YICYBPVBCHEKEI-QFIPXVFZSA-N 0 3 470.662 3.752 20 0 JHADHN CCO[C@@H](Cn1c(N2CCC(CN3CCOCC3)CC2)nnc1C(C)(C)C)c1ccccc1 ZINC001314079751 1071940146 /nfs/dbraw/zinc/94/01/46/1071940146.db2.gz TXUYHZFYZVOELP-QHCPKHFHSA-N 0 3 455.647 3.902 20 0 JHADHN CCO[C@]1(c2nnc(N(C)CC3CC(F)C3)n2C[C@H](c2ccc(F)cc2)N(C)C)CCOC1 ZINC001314087682 1071961398 /nfs/dbraw/zinc/96/13/98/1071961398.db2.gz YKNGVLUXJNCQDY-LVYGRCLGSA-N 0 3 463.573 3.557 20 0 JHADHN CCO[C@@]1(c2nnc(N3CCC(OC(C)C)CC3)n2C[C@@H](c2ccc(F)cc2)N(C)C)CCOC1 ZINC001314117184 1072017335 /nfs/dbraw/zinc/01/73/35/1072017335.db2.gz QJPBPLMFYXNHFH-OZXSUGGESA-N 0 3 489.636 3.766 20 0 JHADHN CCc1ccc(-c2nnc(N3CCC[C@H](CNC(=O)C(C)C)C3)n2CCN2CC=CCC2)cc1 ZINC001305941795 1068251383 /nfs/dbraw/zinc/25/13/83/1068251383.db2.gz SIVXHLQVOBGJQQ-HSZRJFAPSA-N 0 3 464.658 3.758 20 0 JHADHN CCc1ccc(-c2nnc(N3CCC[C@@H](S(C)(=O)=O)C3)n2C[C@H]2CCCN(C(C)C)C2)cc1 ZINC001305942215 1068253358 /nfs/dbraw/zinc/25/33/58/1068253358.db2.gz PNVFVAKTIMXPJH-JTHBVZDNSA-N 0 3 473.687 3.641 20 0 JHADHN CCc1ccc(CCn2c(C(=O)Nc3ccccn3)nnc2N2C[C@@H](C)N(CC)C[C@H]2C)cc1 ZINC001305957326 1068285972 /nfs/dbraw/zinc/28/59/72/1068285972.db2.gz HMWRCEJECWPHGV-WOJBJXKFSA-N 0 3 461.614 3.649 20 0 JHADHN CCc1ccccc1OCc1nnc(N2C[C@H](C)N(CC)C[C@@H]2C)n1Cc1conc1COC ZINC001305980539 1068323871 /nfs/dbraw/zinc/32/38/71/1068323871.db2.gz CWNNERYWFNAWJA-OALUTQOASA-N 0 3 468.602 3.521 20 0 JHADHN CCc1ccccc1OCc1nnc(N2C[C@H](C)C[C@@H](C)C2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001305984501 1068332875 /nfs/dbraw/zinc/33/28/75/1068332875.db2.gz SQNFHNFKDYAIOM-AKFKNWHVSA-N 0 3 496.700 3.845 20 0 JHADHN CCc1ccccc1OCc1nnc(N2C[C@H](C)C[C@H](C)C2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001305984507 1068332980 /nfs/dbraw/zinc/33/29/80/1068332980.db2.gz SQNFHNFKDYAIOM-ZDXQCDESSA-N 0 3 496.700 3.845 20 0 JHADHN CCc1ccccc1OCc1nnc(N2CCN(C3CCOCC3)C[C@@H]2C)n1C[C@@H](C)SC ZINC001305986528 1068338331 /nfs/dbraw/zinc/33/83/31/1068338331.db2.gz OKUCNOJFIOJKEE-VQTJNVASSA-N 0 3 473.687 3.861 20 0 JHADHN CCc1ccccc1OCc1nnc(N2CCN(C3CCCCC3)CC2)n1CC(C)(C)C(=O)NC ZINC001305987012 1068340130 /nfs/dbraw/zinc/34/01/30/1068340130.db2.gz RORTXZHWRMFVSC-UHFFFAOYSA-N 0 3 482.673 3.646 20 0 JHADHN CCc1csc([C@H]2CCCN(c3nnc(C(C)C)n3CCCN3CCC[C@@H]3C(=O)N(C)C)C2)n1 ZINC001305998974 1068367771 /nfs/dbraw/zinc/36/77/71/1068367771.db2.gz MYNXBTYTTFBWAU-PZJWPPBQSA-N 0 3 487.718 3.747 20 0 JHADHN CCc1nc(C)c(Cn2c(-c3cc(Br)c[nH]3)nnc2N2C[C@H](C)N(CC)C[C@@H]2C)o1 ZINC001306009241 1068389846 /nfs/dbraw/zinc/38/98/46/1068389846.db2.gz UEKKZNXXJOHFOX-KBPBESRZSA-N 0 3 476.423 3.862 20 0 JHADHN CCc1nn(C)c(Cl)c1CN1CCN(c2nnc(C(C)C)n2C[C@H](c2ccccc2)N(C)C)CC1 ZINC001306048771 1068475265 /nfs/dbraw/zinc/47/52/65/1068475265.db2.gz XXZODLKEBMLJIS-HSZRJFAPSA-N 0 3 499.107 3.976 20 0 JHADHN CCc1nn(C)c(Cl)c1CN1CCN(c2nnc(C(C)C)n2C[C@@H](c2ccccc2)N(C)C)CC1 ZINC001306048772 1068475671 /nfs/dbraw/zinc/47/56/71/1068475671.db2.gz XXZODLKEBMLJIS-QHCPKHFHSA-N 0 3 499.107 3.976 20 0 JHADHN CCc1nnc(N(C)[C@@H](CF)c2ccc(Br)cc2)n1C[C@H](C)N1CCN(CC)CC1 ZINC001306063441 1068502734 /nfs/dbraw/zinc/50/27/34/1068502734.db2.gz BCPSIMYHTRVVAZ-PXNSSMCTSA-N 0 3 481.458 3.776 20 0 JHADHN CCc1nnc(N2CCC[C@H](NC(=O)OC(C)(C)C)C2)n1C[C@H](c1ccc(F)cc1)N(C)C ZINC001306171274 1068565789 /nfs/dbraw/zinc/56/57/89/1068565789.db2.gz RMLSSQTWQZQQPK-VQTJNVASSA-N 0 3 460.598 3.776 20 0 JHADHN CCc1nnc(N2CCN(Cc3ccccc3OC)CC2)n1C[C@H](c1cccs1)N(C)C ZINC001306205539 1068596004 /nfs/dbraw/zinc/59/60/04/1068596004.db2.gz MNUDTYOJQMTIKI-HXUWFJFHSA-N 0 3 454.644 3.536 20 0 JHADHN CC[C@H]1C(=O)NCCN1c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@H](c1ccsc1)N(C)C ZINC001306249149 1068659424 /nfs/dbraw/zinc/65/94/24/1068659424.db2.gz UIGPLJKAZREZIQ-OALUTQOASA-N 0 3 490.580 3.626 20 0 JHADHN CC[C@H]1C(=O)NCCN1c1nnc(COc2ccc(C)c(C)c2)n1C[C@@H](c1cccs1)N(C)C ZINC001306262417 1068672619 /nfs/dbraw/zinc/67/26/19/1068672619.db2.gz XIQDCTXICPOVSS-SFTDATJTSA-N 0 3 482.654 3.553 20 0 JHADHN CC[C@@H]1[C@@H](C)CCN1c1nnc(Cc2ccccc2OC)n1C[C@H](C)N1CCN(CC)CC1 ZINC001306276660 1068689725 /nfs/dbraw/zinc/68/97/25/1068689725.db2.gz WPYJJSLSZYLMLJ-QNWVGRARSA-N 0 3 454.663 3.528 20 0 JHADHN CC[C@H]1CCCCN1CCn1c(-c2cccc(Cl)c2)nnc1N1CCC(S(C)(=O)=O)CC1 ZINC001306317969 1068740705 /nfs/dbraw/zinc/74/07/05/1068740705.db2.gz MBNACHDYXUNZFQ-FQEVSTJZSA-N 0 3 480.078 3.876 20 0 JHADHN CC[C@@H]1CCCCN1CCn1c(-c2ccc(Cl)cc2)nnc1N(CCS(C)(=O)=O)C1CC1 ZINC001306321091 1068750891 /nfs/dbraw/zinc/75/08/91/1068750891.db2.gz YVTIXTJWIBDMBY-HXUWFJFHSA-N 0 3 480.078 3.876 20 0 JHADHN CC[C@H]1CCCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCN2CCN(CC)CC2)C1 ZINC001306340908 1068777431 /nfs/dbraw/zinc/77/74/31/1068777431.db2.gz MYIXYXPPFWFBGQ-YTFSRNRJSA-N 0 3 460.711 3.851 20 0 JHADHN CC[C@H]1CCCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H](C)N2CCN(CC)CC2)C1 ZINC001306340912 1068777595 /nfs/dbraw/zinc/77/75/95/1068777595.db2.gz CRJJIGJDTVEMBJ-MYDTUXCISA-N 0 3 460.711 3.849 20 0 JHADHN CC[C@@H]1CCCN1c1nnc(-c2ccc(-n3cnnn3)cc2)n1CCN(CC)CCC(F)(F)F ZINC001306343618 1068780127 /nfs/dbraw/zinc/78/01/27/1068780127.db2.gz DCGOCHGQTGAWDK-GOSISDBHSA-N 0 3 477.539 3.574 20 0 JHADHN CC[C@@H]1CCCN1c1nnc(COc2cc(C)cc(C)c2)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001306356435 1068791154 /nfs/dbraw/zinc/79/11/54/1068791154.db2.gz USELGHWXCKEQIF-VWNXMTODSA-N 0 3 482.673 3.795 20 0 JHADHN CCC(CC)NC(=O)c1nnc(N2CC[C@H](CC)C2)n1CCCN1CCc2ccccc2C1 ZINC001306357575 1068792362 /nfs/dbraw/zinc/79/23/62/1068792362.db2.gz DAHSZDDWTMENLN-FQEVSTJZSA-N 0 3 452.647 3.881 20 0 JHADHN CCC1CCN(c2nnc(CCc3ccc(OC)cc3)n2C[C@H](C)N2CCN(CC)CC2)CC1 ZINC001306379870 1068811046 /nfs/dbraw/zinc/81/10/46/1068811046.db2.gz IXIFYBHTRYMHFD-QFIPXVFZSA-N 0 3 468.690 3.724 20 0 JHADHN CC[C@H]1CN(c2nnc([C@@H](C)OCCOC)n2CC2(N3CCSCC3)CCCC2)CCS1 ZINC001306397127 1068846904 /nfs/dbraw/zinc/84/69/04/1068846904.db2.gz AUEUYLYJUACJJH-UXHICEINSA-N 0 3 483.748 3.696 20 0 JHADHN CC[C@H]1CN(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2CCN2CC=CCC2)CCO1 ZINC001306407939 1068883960 /nfs/dbraw/zinc/88/39/60/1068883960.db2.gz GAOYCMHWWAINMN-NRFANRHFSA-N 0 3 455.603 3.618 20 0 JHADHN CC/C=C/Cn1c(-c2ccc(CC)cc2)nnc1N1C[C@H](N2CCCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001306469202 1069011578 /nfs/dbraw/zinc/01/15/78/1069011578.db2.gz XIYKLAOQWDWTEO-CNLMAQTBSA-N 0 3 464.658 3.853 20 0 JHADHN CCCC(=O)Nc1ccc(Cn2c(-c3cccn3C)nnc2N2C[C@@H](C)N(CC)C[C@H]2C)cc1 ZINC001306494954 1069038634 /nfs/dbraw/zinc/03/86/34/1069038634.db2.gz VMFRCTTZTRZRAC-WOJBJXKFSA-N 0 3 463.630 3.989 20 0 JHADHN CCN1CCN(c2cccc(NC(=O)NCc3cc(NC(=O)OC(C)(C)C)ccn3)c2)CC1 ZINC001310597771 1069040939 /nfs/dbraw/zinc/04/09/39/1069040939.db2.gz STYYTARJDMVKLV-UHFFFAOYSA-N 0 3 454.575 3.892 20 0 JHADHN CCCC(=O)N[C@H]1CCCN(c2nnc(C(C)(C)C)n2C[C@@H](c2cccc(F)c2)N(C)C)C1 ZINC001306497655 1069047591 /nfs/dbraw/zinc/04/75/91/1069047591.db2.gz XSHCYGIEOFEVNP-SFTDATJTSA-N 0 3 458.626 3.903 20 0 JHADHN CCCC(=O)N[C@H]1CCCN(c2nnc(CC(C)C)n2C[C@H](c2cccc(F)c2)N(C)C)C1 ZINC001306504123 1069075749 /nfs/dbraw/zinc/07/57/49/1069075749.db2.gz CPAVRFFEGIZXED-FCHUYYIVSA-N 0 3 458.626 3.804 20 0 JHADHN Cc1ccc(NC(=O)NCc2ccccc2CN2CCC(O)CC2)cc1C(=O)N(C)C(C)C ZINC001310643286 1069079022 /nfs/dbraw/zinc/07/90/22/1069079022.db2.gz YDKKXVSILWEIHU-UHFFFAOYSA-N 0 3 452.599 3.754 20 0 JHADHN CCCC(=O)NC1CCN(c2nnc(C(C)C)n2C[C@@H]2CN(Cc3ccccc3)CCCO2)CC1 ZINC001306506663 1069087377 /nfs/dbraw/zinc/08/73/77/1069087377.db2.gz XDQDRPCZFFHFIJ-DEOSSOPVSA-N 0 3 482.673 3.578 20 0 JHADHN CN(C)CCN(C[C@H]1CCCO1)C(=O)Nc1ccc(-c2ccc(Br)s2)nn1 ZINC001310683752 1069108294 /nfs/dbraw/zinc/10/82/94/1069108294.db2.gz KEFJFIWGNCMRFN-CYBMUJFWSA-N 0 3 454.394 3.542 20 0 JHADHN CNC(=O)c1cccc(NC(=O)NC[C@H]2CCCCN2Cc2ccccc2)c1Br ZINC001310704060 1069121028 /nfs/dbraw/zinc/12/10/28/1069121028.db2.gz REKWVSAGHGONOJ-QGZVFWFLSA-N 0 3 459.388 3.985 20 0 JHADHN CCCC(=O)NC[C@H]1CCCN(c2nnc(C3CCC3)n2C[C@H](c2ccccc2)N(C)C)C1 ZINC001306517748 1069129281 /nfs/dbraw/zinc/12/92/81/1069129281.db2.gz BPETWYBZQJLJQW-NFBKMPQASA-N 0 3 452.647 3.981 20 0 JHADHN CCN1CCN(c2ccc(NC(=O)Nc3nnn(Cc4ccccc4F)c3C)c(C)c2)CC1 ZINC001310725060 1069137041 /nfs/dbraw/zinc/13/70/41/1069137041.db2.gz RXYJOTSCAYYZLY-UHFFFAOYSA-N 0 3 451.550 3.868 20 0 JHADHN COc1cc(I)ccc1NC(=O)N(CCN(C)C)Cc1cccs1 ZINC001310786695 1069162103 /nfs/dbraw/zinc/16/21/03/1069162103.db2.gz KUWNROHDXOGZRY-UHFFFAOYSA-N 0 3 459.353 3.957 20 0 JHADHN C[C@@H]1[C@H](NC(=O)N[C@H](CCNC(=O)OC(C)(C)C)C(F)(F)F)CCN1Cc1ccccc1 ZINC001310886617 1069209989 /nfs/dbraw/zinc/20/99/89/1069209989.db2.gz PFNLEKJQWLFKRB-KBAYOESNSA-N 0 3 458.525 3.794 20 0 JHADHN CCN1CCN(Cc2ccccc2CNC(=O)Nc2nn(CC(F)(F)F)cc2Cl)CC1 ZINC001310927537 1069223417 /nfs/dbraw/zinc/22/34/17/1069223417.db2.gz HUMIAIQNVGHITP-UHFFFAOYSA-N 0 3 458.916 3.558 20 0 JHADHN CCCC(O)(CCC)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C ZINC001306594548 1069266506 /nfs/dbraw/zinc/26/65/06/1069266506.db2.gz MBENEGSEOXWDQP-MOPGFXCFSA-N 0 3 457.619 3.924 20 0 JHADHN O=C1OC2(CCN(Cc3ccccc3)CC2)c2cnc(Cl)c(N3CC[C@H]4COC[C@@H]4C3)c21 ZINC001164387193 718818618 /nfs/dbraw/zinc/81/86/18/718818618.db2.gz DZZCKMPFGKLRSL-OALUTQOASA-N 0 3 453.970 3.869 20 0 JHADHN Cc1ncc2n1CCN(c1c3c(cnc1Cl)C1(CCN(Cc4ccccc4)CC1)OC3=O)C2 ZINC001164440890 718990615 /nfs/dbraw/zinc/99/06/15/718990615.db2.gz SRQCWKPGSNWDHT-UHFFFAOYSA-N 0 3 463.969 3.922 20 0 JHADHN CCOC(=O)C1CCN(C2CCN(C(F)(F)c3cc(Cl)nc(-c4ccncc4)n3)CC2)CC1 ZINC001164618454 719031689 /nfs/dbraw/zinc/03/16/89/719031689.db2.gz XADOFUXNNIJQMH-UHFFFAOYSA-N 0 3 479.959 3.981 20 0 JHADHN CCN(CC)Cc1nc2sc(C)c(C)c2c(N(Cc2noc3c2CNCC3)c2ncccn2)n1 ZINC001164641827 719267057 /nfs/dbraw/zinc/26/70/57/719267057.db2.gz WWVCKNZFZUXGCL-UHFFFAOYSA-N 0 3 478.626 3.912 20 0 JHADHN Fc1ccc2nc(-c3ccccc3F)nc(N3CCN4C[C@H](Oc5cncnc5)C[C@@H]4C3)c2c1 ZINC001164739602 720659000 /nfs/dbraw/zinc/65/90/00/720659000.db2.gz OEXLFPFKAULCLE-QZTJIDSGSA-N 0 3 460.488 3.707 20 0 JHADHN c1ccc(-c2cc(-c3ccccc3)nc(N3CCN4C[C@@H](Oc5cncnc5)C[C@H]4C3)n2)cc1 ZINC001164738964 720663688 /nfs/dbraw/zinc/66/36/88/720663688.db2.gz LQRJLFGFLWYPFB-GOTSBHOMSA-N 0 3 450.546 3.943 20 0 JHADHN Clc1ccc(-c2ccc(C3OCCCO3)c(N3CCN4C[C@H](Oc5cncnc5)C[C@H]4C3)c2)cn1 ZINC001164744651 720740850 /nfs/dbraw/zinc/74/08/50/720740850.db2.gz RWCUKYWDWUNWFV-LEWJYISDSA-N 0 3 493.995 3.969 20 0 JHADHN CC(C)CN1[C@H]2CCN(c3ccc(CN4CCCC4)cn3)CC[C@@H]2Oc2ccccc2S1(=O)=O ZINC001164759014 720972166 /nfs/dbraw/zinc/97/21/66/720972166.db2.gz YLCUGPCFELLGQV-GOTSBHOMSA-N 0 3 484.666 3.754 20 0 JHADHN COC(=O)c1ccc(-c2ccc(N3CCN4C[C@@H](OCc5cccnc5)C[C@H]4C3)nc2C)cc1 ZINC001164870229 721134998 /nfs/dbraw/zinc/13/49/98/721134998.db2.gz BXVKJYFWANHTQX-ZEQRLZLVSA-N 0 3 458.562 3.718 20 0 JHADHN COc1cccc(-c2nc3ccccc3c(N3C[C@@H]4CCN(Cc5cnn(C)c5)C[C@H]4C3)n2)c1 ZINC001164771500 721218892 /nfs/dbraw/zinc/21/88/92/721218892.db2.gz QPWHSFCZZWWMBL-VXKWHMMOSA-N 0 3 454.578 3.997 20 0 JHADHN Fc1cccc(O[C@@H]2C[C@@H]3CN(c4ncnc5c4CN(Cc4ccccc4)CC5)CCN3C2)c1 ZINC001164896942 721517831 /nfs/dbraw/zinc/51/78/31/721517831.db2.gz CSKSYQBPKKCFRN-ISKFKSNPSA-N 0 3 459.569 3.516 20 0 JHADHN CCOC(=O)c1cnc(-c2cccs2)nc1N1CCN2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164903016 721527523 /nfs/dbraw/zinc/52/75/23/721527523.db2.gz BURZBVURTIQYML-PKOBYXMFSA-N 0 3 468.554 3.863 20 0 JHADHN COc1ccc(OC)c(-c2ccc(N3CCN4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)nn2)c1 ZINC001164909283 721559352 /nfs/dbraw/zinc/55/93/52/721559352.db2.gz UDLZNICQSVRDSB-NQIIRXRSSA-N 0 3 450.514 3.642 20 0 JHADHN COC(=O)c1ccc2c(c1)ncnc2N1CCC(F)(F)[C@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164907035 721586952 /nfs/dbraw/zinc/58/69/52/721586952.db2.gz QKOUHQILQJRCRK-QHCPKHFHSA-N 0 3 453.493 3.549 20 0 JHADHN CCOC(=O)c1cc2ccnc(N3CCC(F)(F)[C@@]4(CCN(Cc5ccccn5)C4)C3)c2[nH]1 ZINC001164906210 721698965 /nfs/dbraw/zinc/69/89/65/721698965.db2.gz MCGUMUSWTURUFV-HSZRJFAPSA-N 0 3 455.509 3.872 20 0 JHADHN COc1cc2ncnc(N3CCC(F)(F)[C@]4(CCN(Cc5ccccn5)C4)C3)c2c(OC)c1 ZINC001164906223 721709751 /nfs/dbraw/zinc/70/97/51/721709751.db2.gz LCYWNTMPAXYCES-QHCPKHFHSA-N 0 3 455.509 3.780 20 0 JHADHN FC1(F)CCN(c2ncnc3c2ncn3-c2ccccc2)C[C@@]12CCN(Cc1ccccn1)C2 ZINC001164910506 721732708 /nfs/dbraw/zinc/73/27/08/721732708.db2.gz FODFIEXWUBBOQL-DEOSSOPVSA-N 0 3 461.520 3.948 20 0 JHADHN COC(=O)c1ccc(C(F)(F)N2CCC3(CC2)COCCN(Cc2ccncc2)C3)nc1Cl ZINC001164958870 722054118 /nfs/dbraw/zinc/05/41/18/722054118.db2.gz HFXHJBFQNGYXOP-UHFFFAOYSA-N 0 3 480.943 3.581 20 0 JHADHN COc1ccc(C(F)(F)N2CCC3(CC2)COCCN(Cc2ccncc2)C3)c(Cl)n1 ZINC001164963840 722055966 /nfs/dbraw/zinc/05/59/66/722055966.db2.gz NJXCTRUYAFMMAZ-UHFFFAOYSA-N 0 3 452.933 3.803 20 0 JHADHN COc1ccc(C(F)(F)N2CCC3(CC2)COCCN(Cc2ccncc2)C3)nc1Cl ZINC001164962541 722057458 /nfs/dbraw/zinc/05/74/58/722057458.db2.gz FKEHUYAGTDZPGO-UHFFFAOYSA-N 0 3 452.933 3.803 20 0 JHADHN FC(F)(c1ccc2c(Cl)ncnc2c1)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164982768 722105044 /nfs/dbraw/zinc/10/50/44/722105044.db2.gz OVOVISCJTPIRQO-UWJYYQICSA-N 0 3 459.928 3.950 20 0 JHADHN FC(F)(c1ccc2ncc(Cl)nc2c1)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164976407 722106238 /nfs/dbraw/zinc/10/62/38/722106238.db2.gz CUWHXCJXECEILL-LAUBAEHRSA-N 0 3 459.928 3.950 20 0 JHADHN FC(F)(c1ccc2ncnc(Cl)c2c1)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164981742 722110718 /nfs/dbraw/zinc/11/07/18/722110718.db2.gz VDCMWIVYCSKZLB-DYESRHJHSA-N 0 3 459.928 3.950 20 0 JHADHN Fc1ccc(Cn2ccc3c2ncnc3N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)cc1 ZINC001164979845 722124115 /nfs/dbraw/zinc/12/41/15/722124115.db2.gz QMEACMGEJUHGJZ-DHLKQENFSA-N 0 3 472.568 3.741 20 0 JHADHN Fc1ccc(Cn2ccc3c2ncnc3N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)cc1 ZINC001164979851 722124212 /nfs/dbraw/zinc/12/42/12/722124212.db2.gz QMEACMGEJUHGJZ-WIOPSUGQSA-N 0 3 472.568 3.741 20 0 JHADHN CCOC(=O)c1ccc2nc(Cl)nc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)c2c1 ZINC001164981499 722137625 /nfs/dbraw/zinc/13/76/25/722137625.db2.gz OZSNRPSZGHSSSJ-UGKGYDQZSA-N 0 3 481.984 3.582 20 0 JHADHN FC(F)(c1cc(Cl)nc(-c2cccnc2)n1)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164983338 722138262 /nfs/dbraw/zinc/13/82/62/722138262.db2.gz UGTQMLJOAMAVCW-WOJBJXKFSA-N 0 3 486.954 3.859 20 0 JHADHN COc1ccc2nc(C(F)(F)N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)nc(Cl)c2c1 ZINC001164978860 722145498 /nfs/dbraw/zinc/14/54/98/722145498.db2.gz JZQTXXQPIDDRBM-UTKZUKDTSA-N 0 3 489.954 3.959 20 0 JHADHN CCC[C@H]1CN(c2nnc(CC)n2Cc2ccc(-c3ccsc3)nc2)CCN1CCOC ZINC001306627878 1069324819 /nfs/dbraw/zinc/32/48/19/1069324819.db2.gz VZFYVZZKRILIKN-NRFANRHFSA-N 0 3 454.644 3.949 20 0 JHADHN CCC[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H](c2cccs2)N(C)C)CCO1 ZINC001306631898 1069332167 /nfs/dbraw/zinc/33/21/67/1069332167.db2.gz VXBBEJKFWJUYRT-MSOLQXFVSA-N 0 3 488.683 3.639 20 0 JHADHN CCN1CCN(Cc2ccccc2CNC(=O)NCc2ccsc2Br)CC1 ZINC001311359244 1069343661 /nfs/dbraw/zinc/34/36/61/1069343661.db2.gz WKIQWQIJYSRCSI-UHFFFAOYSA-N 0 3 451.434 3.648 20 0 JHADHN Cc1cccc(N2CCN(CCCCNC(=O)NC[C@@](C)(O)c3ccccc3Cl)CC2)c1 ZINC001311380692 1069353825 /nfs/dbraw/zinc/35/38/25/1069353825.db2.gz NEHWUJFFEOXHHO-RUZDIDTESA-N 0 3 459.034 3.758 20 0 JHADHN COC(=O)Nc1cccc(CNC(=O)NCCCCN2CCN(c3cccc(C)c3)CC2)c1 ZINC001311382592 1069355277 /nfs/dbraw/zinc/35/52/77/1069355277.db2.gz ZAPLELWSFXPGBS-UHFFFAOYSA-N 0 3 453.587 3.575 20 0 JHADHN Cc1ccc(CN2CC[C@H](NC(=O)NC[C@H](c3ccccc3Cl)N3CCOCC3)C2)cc1 ZINC001311388519 1069356981 /nfs/dbraw/zinc/35/69/81/1069356981.db2.gz DNMBYFNUXGPPFS-XUZZJYLKSA-N 0 3 457.018 3.595 20 0 JHADHN O=C(N[C@@H](CN1CCCC1)c1ccccc1)N(CCO)Cc1cc(Br)cs1 ZINC001311405996 1069364388 /nfs/dbraw/zinc/36/43/88/1069364388.db2.gz QDNFBIVCSZKVRG-IBGZPJMESA-N 0 3 452.418 3.852 20 0 JHADHN O=C(N[C@H](CN1CCCC1)c1ccccc1)N(CCO)Cc1cc(Br)cs1 ZINC001311405997 1069364790 /nfs/dbraw/zinc/36/47/90/1069364790.db2.gz QDNFBIVCSZKVRG-LJQANCHMSA-N 0 3 452.418 3.852 20 0 JHADHN CN(C)[C@@H](CNC(=O)N1CCc2sc(CNC(=O)OC(C)(C)C)nc2C1)c1ccccc1 ZINC001311417914 1069367817 /nfs/dbraw/zinc/36/78/17/1069367817.db2.gz GAKGSPJYAVCDHE-SFHVURJKSA-N 0 3 459.616 3.538 20 0 JHADHN CCCCCNC(=O)C1CCN(c2nnc(C)n2C[C@@H](c2ccco2)N2CCCCC2)CC1 ZINC001306658168 1069373245 /nfs/dbraw/zinc/37/32/45/1069373245.db2.gz LUEKFPNKSCWRNH-QFIPXVFZSA-N 0 3 456.635 3.930 20 0 JHADHN CO[C@](C)(CNC(=O)NCCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1)C1CC1 ZINC001311452975 1069385908 /nfs/dbraw/zinc/38/59/08/1069385908.db2.gz UPABFKQHKWPHFZ-JOCHJYFZSA-N 0 3 456.553 3.722 20 0 JHADHN CC(C)O[C@@H]1CCN(C(=O)NCCCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC001311453122 1069386012 /nfs/dbraw/zinc/38/60/12/1069386012.db2.gz XUUZGVTXWPUVJE-OAQYLSRUSA-N 0 3 456.553 3.817 20 0 JHADHN CN(C)C[C@H](NC(=O)NC1CCN(Cc2ccccn2)CC1)c1ccc(Cl)c(Cl)c1 ZINC001311481623 1069397822 /nfs/dbraw/zinc/39/78/22/1069397822.db2.gz KNBLBCRHUNRFTI-NRFANRHFSA-N 0 3 450.414 3.955 20 0 JHADHN CCCCN(C)CCn1c(-c2cc(C)nc3ccccc32)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 ZINC001306681633 1069411221 /nfs/dbraw/zinc/41/12/21/1069411221.db2.gz PVKIYVBAIZTYQU-FQEVSTJZSA-N 0 3 484.670 3.547 20 0 JHADHN CC[C@H](NC(=O)NC[C@@H](c1cccs1)N1CCCC1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC001311577243 1069446422 /nfs/dbraw/zinc/44/64/22/1069446422.db2.gz SEJWNHNBOFFOBA-RJGXRXQPSA-N 0 3 456.656 3.864 20 0 JHADHN Cc1ccc(CNC(=O)C2CCN(C(=O)NC[C@H](c3cccs3)N3CCCC3)CC2)cc1 ZINC001311577826 1069446855 /nfs/dbraw/zinc/44/68/55/1069446855.db2.gz WNOUZOLJXMFQHB-JOCHJYFZSA-N 0 3 454.640 3.931 20 0 JHADHN C[C@@H]1CN(C(=O)NCC2(N3CCSCC3)CCCC2)CC[C@@H]1CNC(=O)OC(C)(C)C ZINC001311583990 1069450755 /nfs/dbraw/zinc/45/07/55/1069450755.db2.gz NWGUYOHLQPBKFF-RTBURBONSA-N 0 3 454.681 3.540 20 0 JHADHN O=C(NCC1(N2CCSCC2)CCCC1)N1CCO[C@H](c2cccc(OC(F)F)c2)C1 ZINC001311584928 1069451073 /nfs/dbraw/zinc/45/10/73/1069451073.db2.gz UWXFRPKHOHQRHM-IBGZPJMESA-N 0 3 455.571 3.733 20 0 JHADHN COc1ccc(Cl)c(N2CCN(C(=O)NCC3(N4CCSCC4)CCCC3)CC2)c1 ZINC001311584964 1069451183 /nfs/dbraw/zinc/45/11/83/1069451183.db2.gz WFFOBEDOHVDBFB-UHFFFAOYSA-N 0 3 453.052 3.542 20 0 JHADHN CCCCN1CCCC[C@@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N(C)[C@H](C)CS(C)(=O)=O ZINC001306724686 1069465813 /nfs/dbraw/zinc/46/58/13/1069465813.db2.gz ZCARKZYVXGQUPT-IEBWSBKVSA-N 0 3 483.082 3.517 20 0 JHADHN C[C@@H](NC(=O)NCCCCN1CCN(Cc2ccccc2)CC1)[C@@H]1OCCc2sccc21 ZINC001311629314 1069478291 /nfs/dbraw/zinc/47/82/91/1069478291.db2.gz BENUKFKQXPSBAV-YKSBVNFPSA-N 0 3 456.656 3.648 20 0 JHADHN O=C(NCCOc1cccc(Cl)c1Cl)NCC1(O)CCN(Cc2ccccc2)CC1 ZINC001311662459 1069492705 /nfs/dbraw/zinc/49/27/05/1069492705.db2.gz KKMRTHXMRPELQI-UHFFFAOYSA-N 0 3 452.382 3.699 20 0 JHADHN CCN(CC)[C@H](CNC(=O)N1CC[C@@H](CN2CCCC2=O)C1)c1ccc(C(F)(F)F)cc1 ZINC001311719618 1069518416 /nfs/dbraw/zinc/51/84/16/1069518416.db2.gz WQBXNKVNDJBJLN-FXAWDEMLSA-N 0 3 454.537 3.742 20 0 JHADHN CCN(C(=O)NC[C@H](c1cccc(F)c1)N1CCOCC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001311761361 1069536409 /nfs/dbraw/zinc/53/64/09/1069536409.db2.gz JVQYQCQZXWZDHL-JWQCQUIFSA-N 0 3 454.590 3.505 20 0 JHADHN CCCCOCCn1c(-c2cc(Br)cn2C)nnc1N1C[C@H](C)N(CC)C[C@H]1C ZINC001306760559 1069560338 /nfs/dbraw/zinc/56/03/38/1069560338.db2.gz FEUUTXKIVACOIJ-DLBZAZTESA-N 0 3 467.456 3.782 20 0 JHADHN CCO[C@]1(c2nnc(N3CCS[C@H](C)[C@H]3C)n2C[C@@H](c2ccccc2)N(C)C)CCOC1 ZINC001314146097 1069599388 /nfs/dbraw/zinc/59/93/88/1069599388.db2.gz VFNFBTHXCWEMDI-PDSFRDGWSA-N 0 3 459.660 3.563 20 0 JHADHN CCCN(Cc1ccc(F)cc1F)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C)CN1CCCC1 ZINC001306812310 1069633092 /nfs/dbraw/zinc/63/30/92/1069633092.db2.gz HAYIKSNUTCFWCG-AZUAARDMSA-N 0 3 495.640 3.607 20 0 JHADHN CCOc1cc(CCCn2c([C@@H]3CCOC3)nnc2N2CCN(C(C)(C)C)CC2)ccc1OC ZINC001314161008 1069646005 /nfs/dbraw/zinc/64/60/05/1069646005.db2.gz HCWQUJZBEUDHOS-OAQYLSRUSA-N 0 3 471.646 3.743 20 0 JHADHN COc1ccccc1[C@](N)(C(=O)Nc1cccc(N2CCN(C(C)C)CC2)c1)C(F)(F)F ZINC001306822922 1069643950 /nfs/dbraw/zinc/64/39/50/1069643950.db2.gz VFWDEBTXUQOPEW-QFIPXVFZSA-N 0 3 450.505 3.581 20 0 JHADHN Cc1cc(F)ccc1N1CCC[C@H](NC(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC001312003608 1069663280 /nfs/dbraw/zinc/66/32/80/1069663280.db2.gz VBSPOBFTGNIFSG-ZEQRLZLVSA-N 0 3 454.590 3.693 20 0 JHADHN COc1ccc(OC)c(C2=NO[C@H](C(=O)NCCNC(c3ccccc3)c3ccccc3)C2)c1 ZINC001306903197 1069680373 /nfs/dbraw/zinc/68/03/73/1069680373.db2.gz DEZZVFPPIBFWQN-VWLOTQADSA-N 0 3 459.546 3.692 20 0 JHADHN CCOc1ccc(O[C@H](C)c2nnc(N3CCN(C4CCOCC4)C[C@@H]3C)n2C[C@@H](C)OC)cc1 ZINC001314197196 1069779171 /nfs/dbraw/zinc/77/91/71/1069779171.db2.gz KLELOHZEBYINBR-PWRODBHTSA-N 0 3 487.645 3.541 20 0 JHADHN CC1(C)[C@H](OCc2ccccc2)C[C@@H]1NC(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC001312205286 1069780199 /nfs/dbraw/zinc/78/01/99/1069780199.db2.gz KZKJSUYHWZDVFY-LOSJGSFVSA-N 0 3 451.611 3.826 20 0 JHADHN COc1ccc(C[C@@H]2CCCCN2C(=O)NCc2ccccc2CN2CCC(O)CC2)cc1 ZINC001312206994 1069782058 /nfs/dbraw/zinc/78/20/58/1069782058.db2.gz VLIDHAWDSPRUGQ-DEOSSOPVSA-N 0 3 451.611 3.959 20 0 JHADHN CCOc1ccccc1CCn1c(CC(C)(C)C)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001314211915 1069836250 /nfs/dbraw/zinc/83/62/50/1069836250.db2.gz JTJBSHWNQDQNHH-OAQYLSRUSA-N 0 3 455.647 3.667 20 0 JHADHN CCOc1ccccc1OCc1nnc(N2C[C@H](C)N(CC)C[C@@H]2C)n1CC1=CCCOC1 ZINC001314218586 1069858981 /nfs/dbraw/zinc/85/89/81/1069858981.db2.gz UUJPXJGHJGPRFM-PMACEKPBSA-N 0 3 455.603 3.521 20 0 JHADHN CCN(CC)CC(=O)N1CCN(C(=O)NCC2(c3ccc(C(C)(C)C)cc3)CCCC2)CC1 ZINC001312338778 1069873534 /nfs/dbraw/zinc/87/35/34/1069873534.db2.gz CSBCRRZTXMOKAP-UHFFFAOYSA-N 0 3 456.675 3.992 20 0 JHADHN CCOc1ccccc1OCc1nnc(N2CCN(C3CCOCC3)C[C@H]2C)n1CCC(C)(F)F ZINC001314225110 1069889473 /nfs/dbraw/zinc/88/94/73/1069889473.db2.gz JJDQHNFNLUYRQO-LJQANCHMSA-N 0 3 493.599 3.991 20 0 JHADHN CN(C)CCN1CCN(C(=O)N[C@@H]2CCCCC[C@H]2c2ccccc2C(F)(F)F)CC1=O ZINC001312409119 1069914908 /nfs/dbraw/zinc/91/49/08/1069914908.db2.gz OJJMVRKIJAOGRI-AZUAARDMSA-N 0 3 454.537 3.537 20 0 JHADHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)N[C@@H](CCO)c1cccc(OC(F)(F)F)c1 ZINC001312455439 1069949651 /nfs/dbraw/zinc/94/96/51/1069949651.db2.gz INWCFYHHULHVST-CZAAIQMYSA-N 0 3 451.489 3.828 20 0 JHADHN CCO[C@@H]1C[C@H](N(C)c2nnc(CCc3ccccc3)n2CCN2CCN(C)C(C)(C)C2)C1(C)C ZINC001314248334 1069970240 /nfs/dbraw/zinc/97/02/40/1069970240.db2.gz DEEYCPDBFYSETQ-BJKOFHAPSA-N 0 3 482.717 3.729 20 0 JHADHN CCCN(C[C@H]1COc2ccccc2O1)C(=O)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC001312501462 1069976518 /nfs/dbraw/zinc/97/65/18/1069976518.db2.gz VSEXUHQIQLKAHC-GOTSBHOMSA-N 0 3 453.583 3.539 20 0 JHADHN O=C(OCc1ccccc1)N1CCC[C@@](O)(CN(Cc2cccc(F)c2)C[C@@H]2CCCO2)C1 ZINC001307441657 1069985614 /nfs/dbraw/zinc/98/56/14/1069985614.db2.gz INJWWQFURKWWBD-AZGAKELHSA-N 0 3 456.558 3.970 20 0 JHADHN CCOC(=O)c1c2c(sc1NC(=O)CN1CCCN(Cc3ccccc3)C[C@@H]1C)CCC2 ZINC001307481928 1070009395 /nfs/dbraw/zinc/00/93/95/1070009395.db2.gz KZZOYYHQRBMROT-SFHVURJKSA-N 0 3 455.624 3.948 20 0 JHADHN COCCC1(CNC(=O)N2CCC[C@@H](CN3CCN(c4ccccn4)CC3)C2)CCCCC1 ZINC001312560163 1070014534 /nfs/dbraw/zinc/01/45/34/1070014534.db2.gz UQGDIAMTFAPXMY-QHCPKHFHSA-N 0 3 457.663 3.612 20 0 JHADHN CCO[C@@H]1CCCN(c2nnc(C(C)(C)C)n2C[C@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC001314268370 1070020553 /nfs/dbraw/zinc/02/05/53/1070020553.db2.gz NDHLWXBDPVWVHH-DHIUTWEWSA-N 0 3 455.647 3.872 20 0 JHADHN C[C@H](c1cccc(S(N)(=O)=O)c1)N(C)CCC(=O)N[C@@H](c1cccs1)c1ccccc1 ZINC001307546853 1070047032 /nfs/dbraw/zinc/04/70/32/1070047032.db2.gz ULEQHRHERZMIFG-UZUQRXQVSA-N 0 3 457.621 3.684 20 0 JHADHN CC(C)Oc1ccc(CCNC(=O)CN2C[C@@H]3CCC[C@@H](NC(=O)OC(C)(C)C)[C@H]3C2)cc1 ZINC001307602007 1070075748 /nfs/dbraw/zinc/07/57/48/1070075748.db2.gz HEUQZZAUAQCHIU-ACIOBRDBSA-N 0 3 459.631 3.758 20 0 JHADHN CCCN(C)[C@H](CNC(=O)N1CC2(C1)CN(C(=O)OC(C)(C)C)C2)c1ccc(Cl)cc1 ZINC001312674472 1070075907 /nfs/dbraw/zinc/07/59/07/1070075907.db2.gz HPQRQBFXFJMCEY-LJQANCHMSA-N 0 3 451.011 3.985 20 0 JHADHN CC[C@H](C)N[C@H](CNC(=O)N1CCN(C(=O)C(F)(F)F)C2(CCCCC2)C1)c1ccco1 ZINC001312680757 1070079691 /nfs/dbraw/zinc/07/96/91/1070079691.db2.gz RBPMFSVPEBNIMH-DLBZAZTESA-N 0 3 458.525 3.828 20 0 JHADHN CCc1ccc([C@H](C)NCC(=O)Nc2ccc(OC)c(S(=O)(=O)N3CCCCC3)c2)cc1 ZINC001307627293 1070088355 /nfs/dbraw/zinc/08/83/55/1070088355.db2.gz ZGOCUWGHHNBHSM-SFHVURJKSA-N 0 3 459.612 3.722 20 0 JHADHN CC(C)Oc1ccc([C@H](CNC(=O)N[C@@H]2C[C@@H](OC(C)(C)C)[C@H]2n2cccn2)N(C)C)cc1 ZINC001312711078 1070089776 /nfs/dbraw/zinc/08/97/76/1070089776.db2.gz VLQPYOKCVFFKQR-ACESQOTJSA-N 0 3 457.619 3.770 20 0 JHADHN CC(=O)Nc1ccc(CN2CCC(NC(=O)N(C)CCCOc3ccc(F)cc3)CC2)cc1 ZINC001312714614 1070091332 /nfs/dbraw/zinc/09/13/32/1070091332.db2.gz ATRZNTHMRWNGFU-UHFFFAOYSA-N 0 3 456.562 3.859 20 0 JHADHN CSc1ccc([C@@H](CNC(=O)N2CCCN(C(=O)Oc3ccccc3)CC2)N(C)C)cc1 ZINC001312754594 1070104450 /nfs/dbraw/zinc/10/44/50/1070104450.db2.gz FZQSQESUPXULFO-JOCHJYFZSA-N 0 3 456.612 3.928 20 0 JHADHN C[C@@H](c1ccc(F)cc1)N1CCC[C@H](NC(=O)N(CCN(C)C)Cc2ccccc2F)C1=O ZINC001312757656 1070106747 /nfs/dbraw/zinc/10/67/47/1070106747.db2.gz QKLFDLSZQWKUHS-MBSDFSHPSA-N 0 3 458.553 3.790 20 0 JHADHN C[C@H](NCC(=O)N1CCCc2cc(S(=O)(=O)N(C)C)ccc21)c1cc2ccccc2s1 ZINC001307690159 1070128105 /nfs/dbraw/zinc/12/81/05/1070128105.db2.gz QHWOILFANNUMLX-INIZCTEOSA-N 0 3 457.621 3.782 20 0 JHADHN C[C@H](c1ccc(OC(F)F)cc1)N1CCC[C@@H](N2CCN(C(=O)OC(C)(C)C)CC2=O)C1 ZINC001307700170 1070134273 /nfs/dbraw/zinc/13/42/73/1070134273.db2.gz ZRPKSFLIGNDYCD-SJLPKXTDSA-N 0 3 453.530 3.893 20 0 JHADHN CCOc1cccc(N2CCN(C(=O)NC[C@H](c3ccc(CC(C)C)cc3)N(C)C)CC2)n1 ZINC001312819057 1070140656 /nfs/dbraw/zinc/14/06/56/1070140656.db2.gz UKDFCHNPHCERLH-HSZRJFAPSA-N 0 3 453.631 3.813 20 0 JHADHN COC(=O)C[C@@H]1CCC[C@H]1NC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC001312838483 1070147956 /nfs/dbraw/zinc/14/79/56/1070147956.db2.gz FUZRVLHLAWNUQY-IQFVJIFQSA-N 0 3 453.558 3.825 20 0 JHADHN C[C@H](NCCNS(=O)(=O)c1cnn(C)c1)c1ccc(-c2ccc(C(F)(F)F)cc2)s1 ZINC001307739568 1070160395 /nfs/dbraw/zinc/16/03/95/1070160395.db2.gz CMADHYNKWDWDSY-ZDUSSCGKSA-N 0 3 458.531 3.797 20 0 JHADHN CCS(=O)(=O)c1ccc([C@@H](C)NCCC(=O)Nc2c(C)nn(-c3ccccc3)c2C)cc1 ZINC001307759780 1070170847 /nfs/dbraw/zinc/17/08/47/1070170847.db2.gz ANLVGIOKQZLIIO-QGZVFWFLSA-N 0 3 454.596 3.962 20 0 JHADHN C[C@@H]1CN(C(=O)CN(Cc2ccncc2)[C@@H]2CCCN(Cc3ccccc3)C2)CC(C)(C)O1 ZINC001307796731 1070186322 /nfs/dbraw/zinc/18/63/22/1070186322.db2.gz QCTPUTRZFTWXRN-RCZVLFRGSA-N 0 3 450.627 3.574 20 0 JHADHN COc1ccc([C@@H](Cc2ccccc2)NCC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)cc1 ZINC001307814149 1070195939 /nfs/dbraw/zinc/19/59/39/1070195939.db2.gz UMAXXZRROWUITE-HSZRJFAPSA-N 0 3 453.583 3.648 20 0 JHADHN CCN(C(=O)NC[C@@H]1CN(c2ccc(Cl)cc2)CCO1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001313018600 1070223543 /nfs/dbraw/zinc/22/35/43/1070223543.db2.gz UJIJGBVBHCLVIQ-BJKOFHAPSA-N 0 3 457.018 3.851 20 0 JHADHN CCOCc1nnc(N2CCN(C(=O)OC(C)(C)C)[C@@H](C)C2)n1CCN(C)Cc1ccc(F)cc1 ZINC001314385619 1070231219 /nfs/dbraw/zinc/23/12/19/1070231219.db2.gz NRFBNIXZYZFRCQ-IBGZPJMESA-N 0 3 490.624 3.531 20 0 JHADHN CC(C)Cn1c(N)c(C(=O)CN2CCC[C@]2(C)Cc2ccc(C(C)(C)C)cc2)c(=O)[nH]c1=O ZINC001307912198 1070237135 /nfs/dbraw/zinc/23/71/35/1070237135.db2.gz PPAJHZGBHLNFLO-AREMUKBSSA-N 0 3 454.615 3.765 20 0 JHADHN CCOCc1nnc(N2CCO[C@H](c3nc(C)cs3)C2)n1C[C@@H](c1ccc(F)cc1)N(C)C ZINC001314402995 1070265096 /nfs/dbraw/zinc/26/50/96/1070265096.db2.gz IXIYSLWBPDCCFI-PMACEKPBSA-N 0 3 474.606 3.599 20 0 JHADHN CCOC(=O)c1csc(CC2CCN(CCOc3ccc(/C=C\C(=O)OC)cc3)CC2)n1 ZINC001308039306 1070288429 /nfs/dbraw/zinc/28/84/29/1070288429.db2.gz FULNSNCXMRXBMQ-TWGQIWQCSA-N 0 3 458.580 3.840 20 0 JHADHN Cc1nn(Cc2ccc(Cl)cc2)c(C)c1CN1CCC[C@@H](C(=O)N[C@H]2CCC[C@@H](O)C2)C1 ZINC001308061857 1070297449 /nfs/dbraw/zinc/29/74/49/1070297449.db2.gz JVXCNEYJOHWBBF-AKIFATBCSA-N 0 3 459.034 3.833 20 0 JHADHN Cc1nn(Cc2ccc(Cl)cc2)c(C)c1CN1CCC[C@@H](C(=O)N[C@@H]2CCC[C@H](O)C2)C1 ZINC001308061863 1070297584 /nfs/dbraw/zinc/29/75/84/1070297584.db2.gz JVXCNEYJOHWBBF-MZYLBHOOSA-N 0 3 459.034 3.833 20 0 JHADHN CCOC(=O)[C@@H]1CN(C[C@H](CNC(=O)OC(C)(C)C)c2ccc(OC)cc2)C[C@H]1C(F)(F)F ZINC001308057765 1070296635 /nfs/dbraw/zinc/29/66/35/1070296635.db2.gz QNSQOERQHVVPQX-QXAKKESOSA-N 0 3 474.520 3.977 20 0 JHADHN COC(=O)C1CC2(C1)CN(C[C@H](O)c1ccc(C(F)(F)F)cc1)C[C@H]2C(=O)OC(C)(C)C ZINC001308066755 1070300585 /nfs/dbraw/zinc/30/05/85/1070300585.db2.gz XLFARBVWSLAAAX-OLOHHCMLSA-N 0 3 457.489 3.582 20 0 JHADHN C[C@@H]1CN(CC(=O)N(C)CCCOc2ccc(F)cc2)C[C@H]1CCNC(=O)OC(C)(C)C ZINC001308077046 1070304218 /nfs/dbraw/zinc/30/42/18/1070304218.db2.gz FUAACXZKTRJFOR-RTBURBONSA-N 0 3 451.583 3.536 20 0 JHADHN CCOC[C@@H]1CCCN(c2nnc(Cc3ccccn3)n2C[C@@H](c2ccc(F)cc2)N(C)C)C1 ZINC001314428651 1070310523 /nfs/dbraw/zinc/31/05/23/1070310523.db2.gz GFVNHNDJNYEELQ-YKSBVNFPSA-N 0 3 466.605 3.959 20 0 JHADHN CCOCCCCn1c(-c2cccc(Br)c2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001314451251 1070348191 /nfs/dbraw/zinc/34/81/91/1070348191.db2.gz KBACFRYXUUOIGE-IBGZPJMESA-N 0 3 492.462 3.683 20 0 JHADHN Cc1cccc(CN(CCN(C)C)C(=O)NCc2cccc(S(=O)(=O)C(F)(F)F)c2)c1 ZINC001313433510 1070358992 /nfs/dbraw/zinc/35/89/92/1070358992.db2.gz MBONYZDIKZWGCE-UHFFFAOYSA-N 0 3 457.518 3.562 20 0 JHADHN CCCN1CCC[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)CC1CCCC1 ZINC001313446358 1070362410 /nfs/dbraw/zinc/36/24/10/1070362410.db2.gz BKXJVZRMKQDNBD-NRFANRHFSA-N 0 3 459.660 3.849 20 0 JHADHN CNC(=O)[C@H](C)Oc1ccc(Br)cc1CNC[C@H]1COC2(CCCCCC2)O1 ZINC001308349778 1070360464 /nfs/dbraw/zinc/36/04/64/1070360464.db2.gz HYZZTSXMBRBNSL-YJBOKZPZSA-N 0 3 455.393 3.518 20 0 JHADHN CC(C)[C@H](NCc1cnc(-c2ccc(Cl)cc2)s1)C(=O)N(C)Cc1nnc2n1CCC2 ZINC001308391236 1070366280 /nfs/dbraw/zinc/36/62/80/1070366280.db2.gz WCWYEFKIEHNDBV-FQEVSTJZSA-N 0 3 459.019 3.774 20 0 JHADHN CCOCCCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1C[C@H](C)N(CC)C[C@H]1C ZINC001314460237 1070366315 /nfs/dbraw/zinc/36/63/15/1070366315.db2.gz CYACNIKTMZXGEQ-VQTJNVASSA-N 0 3 478.682 3.738 20 0 JHADHN O=C([C@H](CNCc1ccc(-c2ccncc2)cc1F)Cc1cccc(F)c1)N1CCOCC1 ZINC001308394340 1070367850 /nfs/dbraw/zinc/36/78/50/1070367850.db2.gz LQDZZRUOEUKLLZ-QHCPKHFHSA-N 0 3 451.517 3.834 20 0 JHADHN CN(CCC(F)(F)F)[C@H](CNCc1ccc(S(N)(=O)=O)s1)c1ccc(Cl)cc1 ZINC001308405790 1070371640 /nfs/dbraw/zinc/37/16/40/1070371640.db2.gz ZCRCTXOJIWYELP-OAHLLOKOSA-N 0 3 455.955 3.764 20 0 JHADHN CC(C)(C)OC(=O)N1CCS(=O)(=O)[C@@H](CCNCc2ccc(SC(F)F)cc2)C1 ZINC001308518583 1070384858 /nfs/dbraw/zinc/38/48/58/1070384858.db2.gz GCPNLBRPKTWNEF-INIZCTEOSA-N 0 3 450.573 3.515 20 0 JHADHN Cc1nn(-c2ccc(Br)cc2)cc1CN1CCC(C(=O)NCC(F)(F)F)CC1 ZINC001308586345 1070395700 /nfs/dbraw/zinc/39/57/00/1070395700.db2.gz IBBQCHDJXOFPRH-UHFFFAOYSA-N 0 3 459.310 3.834 20 0 JHADHN CCOCCN1CCN(c2nnc(C(C)(C)C)n2CC2(N3CCOCC3)CCCCC2)C[C@H]1CC ZINC001314494127 1070409096 /nfs/dbraw/zinc/40/90/96/1070409096.db2.gz NMGSXZYEMBZOMI-HSZRJFAPSA-N 0 3 490.737 3.548 20 0 JHADHN CCOCCN1CCN(c2nnc(C(C)(C)C)n2CC2(N3CCOCC3)CCCCC2)C[C@@H]1CC ZINC001314494128 1070409145 /nfs/dbraw/zinc/40/91/45/1070409145.db2.gz NMGSXZYEMBZOMI-QHCPKHFHSA-N 0 3 490.737 3.548 20 0 JHADHN COC(=O)[C@H](C)Oc1ccc(CN2CCC[C@@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)cc1 ZINC001308681445 1070416626 /nfs/dbraw/zinc/41/66/26/1070416626.db2.gz AELVWKCXEIGRAD-FXAWDEMLSA-N 0 3 454.571 3.858 20 0 JHADHN OC[C@@H](CNCc1cc(Br)cnc1F)Cc1cc(Br)ccc1F ZINC001308770773 1070435169 /nfs/dbraw/zinc/43/51/69/1070435169.db2.gz VPAZLAQQNVKHGL-SNVBAGLBSA-N 0 3 450.121 3.826 20 0 JHADHN CCOC(=O)C1CCN(C(=O)C[C@H](C)N[C@H]2C[C@@H](C(=O)OC(C)(C)C)c3ccccc32)CC1 ZINC001308842717 1070446767 /nfs/dbraw/zinc/44/67/67/1070446767.db2.gz DGYNTINFDPOHLY-WTOYTKOKSA-N 0 3 458.599 3.727 20 0 JHADHN CC(C)(C)OC(=O)[C@@H]1CCCN(c2ccc(CN3C[C@H]4COC[C@@]4(C(=O)OC(C)(C)C)C3)o2)C1 ZINC001308858152 1070450115 /nfs/dbraw/zinc/45/01/15/1070450115.db2.gz AKQZGDWNCFMWAI-MVYHEMRASA-N 0 3 476.614 3.628 20 0 JHADHN COC(=O)[C@@H]1[C@H](CN[C@H]2CN(C(=O)OC(C)(C)C)CC[C@H]2c2ccc(OC)c(F)c2)C1(F)F ZINC001308861375 1070450720 /nfs/dbraw/zinc/45/07/20/1070450720.db2.gz 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CCN(CC)CC(=O)N1CCN(c2nnc(Cc3ccsc3)n2CCc2cc(C)cc(C)c2)CC1 ZINC001313699249 1070973194 /nfs/dbraw/zinc/97/31/94/1070973194.db2.gz VOMNFSFGXSPDGJ-UHFFFAOYSA-N 0 3 494.709 3.780 20 0 JHADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccc(C)o3)n2CCSc2ccccc2)CC1 ZINC001313699550 1070974837 /nfs/dbraw/zinc/97/48/37/1070974837.db2.gz MTRRHPZSBBKIOZ-UHFFFAOYSA-N 0 3 482.654 3.629 20 0 JHADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccccc3F)n2Cc2ccc(Cl)s2)CC1 ZINC001313700083 1070976209 /nfs/dbraw/zinc/97/62/09/1070976209.db2.gz UYVOJXMXRRWMKM-UHFFFAOYSA-N 0 3 491.036 3.838 20 0 JHADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@H](C)Oc3ccccc3F)n2[C@@H]2C[C@H]2C(C)C)CC1 ZINC001313701096 1070978602 /nfs/dbraw/zinc/97/86/02/1070978602.db2.gz QYWJPUZVQDZXBH-JAXLGGSGSA-N 0 3 486.636 3.765 20 0 JHADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@@H]3CCCCO3)n2C[C@H](C)c2ccc(C)cc2)CC1 ZINC001313702160 1070983562 /nfs/dbraw/zinc/98/35/62/1070983562.db2.gz AIGSAJVNQHNNAX-UPVQGACJSA-N 0 3 482.673 3.622 20 0 JHADHN 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ZINC001310106117 1071121099 /nfs/dbraw/zinc/12/10/99/1071121099.db2.gz VQNJVPGLDKDZRW-PXNSSMCTSA-N 0 3 450.505 3.776 20 0 JHADHN CCOCCCNC(=O)c1cccc(NC(=O)N2CC[C@H](C)N(Cc3ccccc3)CC2)c1 ZINC001310140689 1071148693 /nfs/dbraw/zinc/14/86/93/1071148693.db2.gz SSPPITBBCHVDAM-NRFANRHFSA-N 0 3 452.599 3.971 20 0 JHADHN CN(C)[C@H](Cn1c(-c2csc(N3CCOCC3)n2)nnc1N(C)CCC(F)F)c1cccs1 ZINC001314825377 1071149324 /nfs/dbraw/zinc/14/93/24/1071149324.db2.gz RJMKQYVXMQDULK-MRXNPFEDSA-N 0 3 497.641 3.694 20 0 JHADHN CN(CCc1ccc(Br)cc1)c1nnc(CC2CC2)n1CCN1CCN(C)C(C)(C)C1 ZINC001314828748 1071156847 /nfs/dbraw/zinc/15/68/47/1071156847.db2.gz IEABLTKGOCMASX-UHFFFAOYSA-N 0 3 489.506 3.698 20 0 JHADHN CCN(CCc1ccccc1)c1nnc(C(=O)Nc2ccccn2)n1CCN1CCC(C)CC1 ZINC001313786229 1071162834 /nfs/dbraw/zinc/16/28/34/1071162834.db2.gz PRXLLHJHPDKUJQ-UHFFFAOYSA-N 0 3 461.614 3.726 20 0 JHADHN CN(CCCCc1ccccc1)c1nnc([C@H]2CCCO2)n1CCN1CCN(C)C(C)(C)C1 ZINC001314844440 1071198361 /nfs/dbraw/zinc/19/83/61/1071198361.db2.gz 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20 0 JHADHN CCN(CCn1c(-c2ccc[nH]2)nnc1N1CCN(C2CCCC2)CC1)C(=O)OC(C)(C)C ZINC001313811185 1071244647 /nfs/dbraw/zinc/24/46/47/1071244647.db2.gz UTSPQGGMPOFXTD-UHFFFAOYSA-N 0 3 457.623 3.595 20 0 JHADHN CCN(CCn1c(-c2cnccn2)nnc1N1CCc2ccc(F)cc2C1)CCC(F)(F)F ZINC001313812669 1071251639 /nfs/dbraw/zinc/25/16/39/1071251639.db2.gz MDFHNQKXSAMTMM-UHFFFAOYSA-N 0 3 463.483 3.711 20 0 JHADHN CN(C(=O)Nc1ccccc1S(=O)(=O)NC(C)(C)C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001310273774 1071256633 /nfs/dbraw/zinc/25/66/33/1071256633.db2.gz HVRCBVLKZUDXTQ-FQEVSTJZSA-N 0 3 458.628 3.892 20 0 JHADHN C[C@]1(NC(=O)Nc2ccc(NC(=O)NC[C@@H]3CCCO3)cc2)CCN(Cc2ccccc2)C1 ZINC001310275989 1071259526 /nfs/dbraw/zinc/25/95/26/1071259526.db2.gz FKAFWPPITAJADG-DHLKQENFSA-N 0 3 451.571 3.773 20 0 JHADHN CN(CCn1c(N2CC[C@H](Oc3ccccn3)C2)nnc1C(C)(C)C)Cc1ccc(F)cc1 ZINC001314866823 1071271730 /nfs/dbraw/zinc/27/17/30/1071271730.db2.gz CTCOWZHDYJLHMT-NRFANRHFSA-N 0 3 452.578 3.899 20 0 JHADHN 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CCN1C[C@H](C)N(c2nnc(-c3cc(Br)c[nH]3)n2C[C@@H]2CCO[C@@H](C)C2)C[C@H]1C ZINC001313858604 1071360972 /nfs/dbraw/zinc/36/09/72/1071360972.db2.gz BJOBTLIPEITNKW-LTIDMASMSA-N 0 3 465.440 3.770 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3ccc(Br)s3)n2CCCO[C@H]2CCOC2)C[C@@H]1C ZINC001313859612 1071365387 /nfs/dbraw/zinc/36/53/87/1071365387.db2.gz HCPUWXUTIMJDKT-ULQDDVLXSA-N 0 3 498.491 3.884 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(C(=O)N3CCCC3)n2Cc2ccc(OCC(C)C)cc2)C[C@H]1C ZINC001313859860 1071366828 /nfs/dbraw/zinc/36/68/28/1071366828.db2.gz LQFIJFCOMQBPOV-RTWAWAEBSA-N 0 3 468.646 3.516 20 0 JHADHN CCN1C[C@H](C)N(c2nnc([C@H](C)Oc3ccc(F)cc3)n2C[C@@H]2CCOC[C@@H]2OC)C[C@H]1C ZINC001313860010 1071366881 /nfs/dbraw/zinc/36/68/81/1071366881.db2.gz IKSIYCDEWZTYGS-FYTJFPQHSA-N 0 3 475.609 3.528 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(-c3cc(Br)cn3C)n2CC2(SC)CC2)C[C@@H]1C ZINC001313860097 1071367447 /nfs/dbraw/zinc/36/74/47/1071367447.db2.gz JANOBGZFLXDFBZ-LSDHHAIUSA-N 0 3 467.481 3.861 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(-c3cccc(Cl)c3)n2Cc2ncnn2C(C)(C)C)C[C@@H]1C ZINC001313860480 1071370198 /nfs/dbraw/zinc/37/01/98/1071370198.db2.gz LFIWXPYLEIYIJN-DLBZAZTESA-N 0 3 457.026 3.912 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(-c3cc(Br)cn3C)n2Cc2ccc(C)nc2)C[C@@H]1C ZINC001313860790 1071371067 /nfs/dbraw/zinc/37/10/67/1071371067.db2.gz LKZTVEZXWJMMID-DLBZAZTESA-N 0 3 472.435 3.717 20 0 JHADHN CN1CCN(CCn2c(N3CCC(C(=O)c4ccc(F)cc4)CC3)nnc2C(C)(C)C)CC1(C)C ZINC001314930612 1071373399 /nfs/dbraw/zinc/37/33/99/1071373399.db2.gz IGYANBCIPQTPLA-UHFFFAOYSA-N 0 3 484.664 3.840 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2CCc2ccc(Cl)c(OC)c2)C[C@H]1C ZINC001313862251 1071376361 /nfs/dbraw/zinc/37/63/61/1071376361.db2.gz SIFKPABZZNXWMJ-MSOLQXFVSA-N 0 3 498.031 3.749 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(-c3cc(Br)cn3C)n2Cc2ncccc2C)C[C@H]1C ZINC001313863815 1071383195 /nfs/dbraw/zinc/38/31/95/1071383195.db2.gz TVOAFKRHCOCRJY-IAGOWNOFSA-N 0 3 472.435 3.717 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3ccc4ccccc4n3)n2CCC(=O)NC(C)(C)C)C[C@H]1C ZINC001313863322 1071381640 /nfs/dbraw/zinc/38/16/40/1071381640.db2.gz CWLWBMYAEQHTAD-MOPGFXCFSA-N 0 3 463.630 3.717 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(-c3cc(Br)cn3C)n2CCc2c(C)noc2C)C[C@@H]1C ZINC001313863849 1071384170 /nfs/dbraw/zinc/38/41/70/1071384170.db2.gz UIGSVWWQDTYVQG-LSDHHAIUSA-N 0 3 490.450 3.813 20 0 JHADHN CCN1C[C@H](C)N(c2nnc([C@@H](C)Oc3ccccc3F)n2Cc2ccc(NC(C)=O)nc2)C[C@H]1C ZINC001313864759 1071388662 /nfs/dbraw/zinc/38/86/62/1071388662.db2.gz VXDWBOKSFXHXMS-CEXWTWQISA-N 0 3 495.603 3.878 20 0 JHADHN CCN1C[C@H](C)N(c2nnc([C@H](C)Oc3ccccc3F)n2Cc2ccc(NC(C)=O)nc2)C[C@@H]1C ZINC001313864761 1071388367 /nfs/dbraw/zinc/38/83/67/1071388367.db2.gz VXDWBOKSFXHXMS-FHWLQOOXSA-N 0 3 495.603 3.878 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3cnccn3)n2Cc2cc(Br)cs2)C[C@H]1C ZINC001313865022 1071390302 /nfs/dbraw/zinc/39/03/02/1071390302.db2.gz NOGBQNDTWDVVFU-KGLIPLIRSA-N 0 3 462.421 3.526 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(CCc3ccc(OC)cc3)n2C[C@@H]2CCC[C@@H]2OC)C[C@H]1C ZINC001313867172 1071397286 /nfs/dbraw/zinc/39/72/86/1071397286.db2.gz IALCDNYYKTYUKS-RDCABSMISA-N 0 3 455.647 3.806 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(CCc3ccc(OC)cc3)n2Cc2nccc(C(F)F)n2)C[C@@H]1C ZINC001313866989 1071397332 /nfs/dbraw/zinc/39/73/32/1071397332.db2.gz HWVVVIZQTQWAPI-ZWKOTPCHSA-N 0 3 485.583 3.767 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3ccc(Cl)cc3Cl)n2CCOCCOC)C[C@@H]1C ZINC001313867124 1071397921 /nfs/dbraw/zinc/39/79/21/1071397921.db2.gz LMPKNIMFJLTFEI-HOTGVXAUSA-N 0 3 456.418 3.834 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(CC(C)(C)C)n2Cc2ccc(OC)c(OC)c2OC)C[C@H]1C ZINC001313868138 1071402375 /nfs/dbraw/zinc/40/23/75/1071402375.db2.gz MKAAYVAJFQNBBX-MSOLQXFVSA-N 0 3 459.635 3.860 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(-c3ccccc3Br)n2Cc2conc2COC)C[C@@H]1C ZINC001313869796 1071410374 /nfs/dbraw/zinc/41/03/74/1071410374.db2.gz QNNVGKUBTLEFDJ-JKSUJKDBSA-N 0 3 489.418 3.809 20 0 JHADHN CCN1C[C@H](C)N(c2nnc([C@@H]3CCCCO3)n2CCCCn2cc(Br)cn2)C[C@@H]1C ZINC001313868773 1071406423 /nfs/dbraw/zinc/40/64/23/1071406423.db2.gz NWOKNDZBNPIXNH-BJLQDIEVSA-N 0 3 494.482 3.878 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(Cc3ccc(Cl)cc3)n2Cc2cccnc2OCCOC)C[C@@H]1C ZINC001313869965 1071411429 /nfs/dbraw/zinc/41/14/29/1071411429.db2.gz DFFGYLUZNUDYFE-VQTJNVASSA-N 0 3 499.059 3.910 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3cccn3C)n2Cc2ccc(NC(=O)NC(C)C)cc2)C[C@@H]1C ZINC001313870043 1071411470 /nfs/dbraw/zinc/41/14/70/1071411470.db2.gz FBVAEWMMMXHWHH-PMACEKPBSA-N 0 3 478.645 3.781 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(Cc3csc(C)n3)n2Cc2ccc(C)cc2OC)C[C@@H]1C ZINC001313869423 1071408333 /nfs/dbraw/zinc/40/83/33/1071408333.db2.gz PRPDWMJEZRSAGH-ROUUACIJSA-N 0 3 454.644 3.918 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(Cc3ccsc3)n2CCCN(C)CC(F)(F)F)C[C@H]1C ZINC001313870109 1071411614 /nfs/dbraw/zinc/41/16/14/1071411614.db2.gz SCVPPFPQTDGABX-IAGOWNOFSA-N 0 3 458.598 3.734 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(CCc3ccc(OC)cc3)n2Cc2cnc(C)s2)C[C@H]1C ZINC001313870574 1071413246 /nfs/dbraw/zinc/41/32/46/1071413246.db2.gz UXQFNNNOCGTWMP-QZTJIDSGSA-N 0 3 454.644 3.804 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CC(CC)(CC)SC)C[C@@H]1C ZINC001313870399 1071413278 /nfs/dbraw/zinc/41/32/78/1071413278.db2.gz RCFYLRGYBGSDJD-RBUKOAKNSA-N 0 3 483.690 3.762 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CCCCOC)C[C@@H]1C ZINC001313870874 1071414963 /nfs/dbraw/zinc/41/49/63/1071414963.db2.gz ROOSLAVIIFQTHL-PMACEKPBSA-N 0 3 478.682 3.738 20 0 JHADHN CCN1C[C@H](C)N(c2nnc([C@H]3CCOC3)n2Cc2cc(Br)ccc2OC)C[C@H]1C ZINC001313871848 1071418215 /nfs/dbraw/zinc/41/82/15/1071418215.db2.gz UAGVGPCBOWSVMD-IKGGRYGDSA-N 0 3 478.435 3.520 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(Cc3cccnc3)n2Cc2cc(OC)ccc2OC(F)F)C[C@@H]1C ZINC001313872246 1071419906 /nfs/dbraw/zinc/41/99/06/1071419906.db2.gz IXZZMCTWFZSNBQ-ROUUACIJSA-N 0 3 486.567 3.841 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(COc3ccccc3F)n2C[C@](C)(O)c2ccsc2)C[C@@H]1C ZINC001313872437 1071420762 /nfs/dbraw/zinc/42/07/62/1071420762.db2.gz ANIPNLHSBOITNY-XFAGBWLFSA-N 0 3 473.618 3.884 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3ccc(F)cc3Br)n2CCc2ccn(C)n2)C[C@@H]1C ZINC001313872423 1071420829 /nfs/dbraw/zinc/42/08/29/1071420829.db2.gz XHFGRAYTEGYACE-HOTGVXAUSA-N 0 3 490.425 3.742 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(COc3ccccc3F)n2C[C@](C)(O)c2ccsc2)C[C@H]1C ZINC001313872440 1071420890 /nfs/dbraw/zinc/42/08/90/1071420890.db2.gz ANIPNLHSBOITNY-YTZAWJCFSA-N 0 3 473.618 3.884 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(CC(C)(C)C)n2Cc2ccccc2CN2CCCC2=O)C[C@@H]1C ZINC001313872263 1071421133 /nfs/dbraw/zinc/42/11/33/1071421133.db2.gz VWDIXHMGVLWKCA-SFTDATJTSA-N 0 3 466.674 3.956 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(Cc3ccncc3)n2Cc2ccnc(C(F)(F)F)c2)C[C@H]1C ZINC001313873760 1071426331 /nfs/dbraw/zinc/42/63/31/1071426331.db2.gz MCXKUQPTBRWOKW-SJORKVTESA-N 0 3 459.520 3.645 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(COc3ccc(C)c(C)c3)n2Cc2ccc(F)cn2)C[C@@H]1C ZINC001313874726 1071430350 /nfs/dbraw/zinc/43/03/50/1071430350.db2.gz JUKZFYTVWITCNH-VQTJNVASSA-N 0 3 452.578 3.975 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(Cc3c(F)cccc3F)n2CC2(COC)CCOCC2)C[C@H]1C ZINC001313875175 1071431479 /nfs/dbraw/zinc/43/14/79/1071431479.db2.gz PKDJRPYPSXYURG-RTBURBONSA-N 0 3 477.600 3.509 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3ccccn3)n2C[C@@H]2CCCN2C(=O)OC(C)(C)C)C[C@@H]1C ZINC001313875342 1071433741 /nfs/dbraw/zinc/43/37/41/1071433741.db2.gz RTTSYFDXRWOOMV-UFYCRDLUSA-N 0 3 469.634 3.659 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(Cn3nc(C)cc3C)n2C[C@H](C)Oc2ccccc2OC)C[C@H]1C ZINC001313875479 1071434812 /nfs/dbraw/zinc/43/48/12/1071434812.db2.gz LVSZYUYJABNHGD-FSSWDIPSSA-N 0 3 481.645 3.535 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(COc3ccc(C)c(C)c3)n2CCCO[C@@H]2CCOC2)C[C@@H]1C ZINC001313875535 1071434834 /nfs/dbraw/zinc/43/48/34/1071434834.db2.gz MOKMIBOKRVPTJQ-WPFOTENUSA-N 0 3 471.646 3.588 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(COc3cc(C)ccc3C)n2Cc2ccc(OC)nc2)C[C@@H]1C ZINC001313876000 1071436786 /nfs/dbraw/zinc/43/67/86/1071436786.db2.gz NQQOZTBMXOZYCC-LEWJYISDSA-N 0 3 464.614 3.845 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(Cc3cccnc3)n2Cc2ccnc(OCC(F)(F)F)c2)C[C@@H]1C ZINC001313878144 1071443743 /nfs/dbraw/zinc/44/37/43/1071443743.db2.gz VJKVCZDRFMGETE-ROUUACIJSA-N 0 3 489.546 3.567 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(COc3ccc(Cl)cc3)n2CCn2cc(C)cn2)C[C@@H]1C ZINC001313878752 1071445817 /nfs/dbraw/zinc/44/58/17/1071445817.db2.gz VIPWJARQTQNKBT-OALUTQOASA-N 0 3 458.010 3.635 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(Cc3c(F)cccc3F)n2CCOc2ncccc2F)C[C@H]1C ZINC001313878639 1071445334 /nfs/dbraw/zinc/44/53/34/1071445334.db2.gz WQZDMMICKHPHJX-IAGOWNOFSA-N 0 3 474.531 3.679 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3ccccn3)n2CCc2ccc(OC)cc2OC)C[C@H]1C ZINC001313878832 1071446046 /nfs/dbraw/zinc/44/60/46/1071446046.db2.gz ZAFVVLMYBMGSGO-MOPGFXCFSA-N 0 3 450.587 3.519 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3cccn3C)n2Cc2cc(Cl)c(OC)c(OC)c2)C[C@@H]1C ZINC001313878862 1071446810 /nfs/dbraw/zinc/44/68/10/1071446810.db2.gz ZHQLTBMQZDLTMI-IRXDYDNUSA-N 0 3 473.021 3.921 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3ccccc3Br)n2CCC2(O)CCC2)C[C@@H]1C ZINC001313878846 1071445984 /nfs/dbraw/zinc/44/59/84/1071445984.db2.gz ZCKSXSILIZCYQX-IRXDYDNUSA-N 0 3 462.436 3.932 20 0 JHADHN CNC(=O)[C@@]1(C)CCN(c2nnc(-c3ccccc3Cl)n2C[C@@H](c2cccs2)N(C)C)C1 ZINC001314973755 1071462827 /nfs/dbraw/zinc/46/28/27/1071462827.db2.gz MRYQUBDDVFONIH-MBSDFSHPSA-N 0 3 473.046 3.925 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(COc3ccccc3OC)n2C[C@H](OC)C(C)(C)C)C[C@@H]1C ZINC001313885399 1071466627 /nfs/dbraw/zinc/46/66/27/1071466627.db2.gz OWGFONRKOCIDQQ-IPJJNNNSSA-N 0 3 459.635 3.846 20 0 JHADHN CCN1C[C@H](C)N(c2nnc([C@H]3OCC[C@H]3COC)n2CC(C)(C)c2ccc(OC)cc2)C[C@@H]1C ZINC001313885843 1071468074 /nfs/dbraw/zinc/46/80/74/1071468074.db2.gz QOOCVXCZASZGKR-CIEVZJJWSA-N 0 3 485.673 3.907 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc([C@H]3OCC[C@H]3COC)n2CC(C)(C)c2ccc(OC)cc2)C[C@@H]1C ZINC001313885844 1071468090 /nfs/dbraw/zinc/46/80/90/1071468090.db2.gz QOOCVXCZASZGKR-XARGGIHNSA-N 0 3 485.673 3.907 20 0 JHADHN CCN1CC[C@H](Cn2c(-c3ccc(Cl)cc3Cl)nnc2N(C)[C@@H](C)[C@@H](C)S(C)(=O)=O)C1 ZINC001313890616 1071483164 /nfs/dbraw/zinc/48/31/64/1071483164.db2.gz NJJKPKDJXMRSKH-XHSDSOJGSA-N 0 3 488.485 3.852 20 0 JHADHN CCN1CC[C@H](Cn2c(-c3ccc(Cl)cc3Cl)nnc2N(C)[C@@H](C)[C@H](C)S(C)(=O)=O)C1 ZINC001313890613 1071483224 /nfs/dbraw/zinc/48/32/24/1071483224.db2.gz NJJKPKDJXMRSKH-JYJNAYRXSA-N 0 3 488.485 3.852 20 0 JHADHN CCN1CC[C@@H](Cn2c(-c3ccc(-c4ccc(F)cc4)s3)nnc2N(C)CCS(C)(=O)=O)C1 ZINC001313891846 1071485233 /nfs/dbraw/zinc/48/52/33/1071485233.db2.gz VGTDTKGDZJNACL-QGZVFWFLSA-N 0 3 491.658 3.635 20 0 JHADHN CCN1CCC[C@@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@@H](C)S[C@H](C)C1 ZINC001313897420 1071502118 /nfs/dbraw/zinc/50/21/18/1071502118.db2.gz JGKKRZDZUGAXDO-SFHLNBCPSA-N 0 3 456.660 3.962 20 0 JHADHN CCN1CCC[C@@H]1Cn1c(Cc2ccc(F)cc2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 ZINC001313901183 1071511104 /nfs/dbraw/zinc/51/11/04/1071511104.db2.gz RAVRWJUFZXUCFT-LJQANCHMSA-N 0 3 467.511 3.840 20 0 JHADHN CCN1CCCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)Cc1ccccc1N1CCCC1 ZINC001313903153 1071514763 /nfs/dbraw/zinc/51/47/63/1071514763.db2.gz CEHKLTDQLYUZAQ-JOCHJYFZSA-N 0 3 467.662 3.527 20 0 JHADHN CCN1CCCC[C@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@H](OCCOC)C1 ZINC001313902969 1071514028 /nfs/dbraw/zinc/51/40/28/1071514028.db2.gz AZPNNYLENJISDO-ZEQRLZLVSA-N 0 3 498.672 3.653 20 0 JHADHN CCN1CCCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)Cc1ccc(Cl)c(F)c1 ZINC001313903239 1071515211 /nfs/dbraw/zinc/51/52/11/1071515211.db2.gz CUARGFLDCUKTIP-QGZVFWFLSA-N 0 3 450.990 3.720 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(-c3cc(Br)cn3C)nnc2N2CCC[C@H](C)CC2)CC1 ZINC001313919381 1071556979 /nfs/dbraw/zinc/55/69/79/1071556979.db2.gz AKFCNJMGTPOGQG-RBUKOAKNSA-N 0 3 492.510 3.699 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(-c3cc(Br)cn3C)nnc2N2CCC(C)=C(C)C2)CC1 ZINC001313919516 1071557146 /nfs/dbraw/zinc/55/71/46/1071557146.db2.gz CFVCSPWFBNRKNZ-IBGZPJMESA-N 0 3 490.494 3.619 20 0 JHADHN CNC(=O)CCCN(C)c1nnc(Cc2ccsc2)n1CC(C)(C)N1CCc2ccccc2C1 ZINC001315030323 1071558943 /nfs/dbraw/zinc/55/89/43/1071558943.db2.gz IZKGWEKEPLSJOZ-UHFFFAOYSA-N 0 3 480.682 3.730 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(-c3cc(OC)cc(OC)c3)nnc2N(C)Cc2ccsc2)CC1 ZINC001313920997 1071560758 /nfs/dbraw/zinc/56/07/58/1071560758.db2.gz NJDFCDYTRFCBTQ-IBGZPJMESA-N 0 3 484.670 3.686 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(C(C)C)nnc2N2CCO[C@H](c3ccc(Cl)cc3)C2)CC1 ZINC001313921868 1071562420 /nfs/dbraw/zinc/56/24/20/1071562420.db2.gz TWYKYMCHMFJLRE-UGKGYDQZSA-N 0 3 461.054 3.659 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(-c3ccc(C)o3)nnc2N(C)CCc2ccccc2F)CC1 ZINC001313922515 1071565184 /nfs/dbraw/zinc/56/51/84/1071565184.db2.gz WWEINVAHTKVGRZ-LJQANCHMSA-N 0 3 454.594 3.691 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(-c3cc(OC)cc(OC)c3)nnc2N2CCC(C(C)C)CC2)CC1 ZINC001313922622 1071565090 /nfs/dbraw/zinc/56/50/90/1071565090.db2.gz XGXONQOEFBDBEF-NRFANRHFSA-N 0 3 484.689 3.861 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(-c3ccc(OC)c(OC)c3)nnc2N2CC[C@H](CC(C)C)C2)CC1 ZINC001313923882 1071568137 /nfs/dbraw/zinc/56/81/37/1071568137.db2.gz ACCDKUHUNRFMDP-FCHUYYIVSA-N 0 3 484.689 3.861 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(-c3ccc(C)o3)nnc2N2CCC[C@H](OC(C)(C)C)C2)CC1 ZINC001313923924 1071568811 /nfs/dbraw/zinc/56/88/11/1071568811.db2.gz BBEMCZAZJKPIDN-CTNGQTDRSA-N 0 3 458.651 3.656 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(-c3cccnc3)nnc2N(C)Cc2ccccc2Br)CC1 ZINC001313924359 1071569586 /nfs/dbraw/zinc/56/95/86/1071569586.db2.gz DHSYXURHIQKXRW-LJQANCHMSA-N 0 3 498.473 3.765 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(-c3ccc(Cl)cc3)nnc2N2C[C@@H](C)OC(C)(C)C2)CC1 ZINC001313925206 1071572597 /nfs/dbraw/zinc/57/25/97/1071572597.db2.gz MUOASVZMIZSAMQ-RBUKOAKNSA-N 0 3 461.054 3.628 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(COc3cc(C)cc(C)c3)nnc2N2CCCC[C@@H](COC)C2)CC1 ZINC001313926161 1071575410 /nfs/dbraw/zinc/57/54/10/1071575410.db2.gz AGRIWZBGVZXFCF-LOSJGSFVSA-N 0 3 498.716 3.753 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(COc3ccc(F)cc3)nnc2N(C)C2CCCCC2)CC1 ZINC001313926452 1071576222 /nfs/dbraw/zinc/57/62/22/1071576222.db2.gz CHLKTMYJESIWTO-HXUWFJFHSA-N 0 3 458.626 3.791 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(-c3ccc(C)o3)nnc2N2CCC(Cl)=C(Cl)C2)CC1 ZINC001313927091 1071578710 /nfs/dbraw/zinc/57/87/10/1071578710.db2.gz ZYXCXLOBJJTDMN-HNNXBMFYSA-N 0 3 453.418 3.772 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(COc3ccccc3F)nnc2N2CCC(C)(C)CC2)CC1 ZINC001313928121 1071582506 /nfs/dbraw/zinc/58/25/06/1071582506.db2.gz QLWCUWBLRYIMGQ-HXUWFJFHSA-N 0 3 458.626 3.649 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(CSc3ccc(C)cc3)nnc2N2CCO[C@@H](C(C)C)C2)CC1 ZINC001313928103 1071582681 /nfs/dbraw/zinc/58/26/81/1071582681.db2.gz QEEITJHACSWUAC-ISKFKSNPSA-N 0 3 486.730 3.766 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(Cc3ccccc3C)nnc2N2C[C@@H](C)[C@H](C(F)(F)F)C2)CC1 ZINC001313928898 1071585330 /nfs/dbraw/zinc/58/53/30/1071585330.db2.gz QEUKBOFUSAJWEP-RZUBCFFCSA-N 0 3 478.607 3.838 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(COc3ccc(Cl)cc3)nnc2N2C[C@@H](C)OC(C)(C)C2)CC1 ZINC001313929334 1071586793 /nfs/dbraw/zinc/58/67/93/1071586793.db2.gz YZXTZTPODCCSEF-VQTJNVASSA-N 0 3 491.080 3.540 20 0 JHADHN CCN1CCN([C@H](C)Cn2c([C@H]3CCCO3)nnc2N(C)Cc2c(F)cccc2Cl)CC1 ZINC001313929056 1071585857 /nfs/dbraw/zinc/58/58/57/1071585857.db2.gz XBNIGVNNRHMBQV-DYESRHJHSA-N 0 3 465.017 3.585 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(CC(C)(C)C)nnc2N2CCN(c3ccccc3F)C[C@@H]2C)CC1 ZINC001313930140 1071588824 /nfs/dbraw/zinc/58/88/24/1071588824.db2.gz QCUDWVNPHMAUCP-VXKWHMMOSA-N 0 3 485.696 3.747 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c([C@H]3CCCCO3)nnc2N(C)Cc2c(F)cccc2Cl)CC1 ZINC001313931532 1071592705 /nfs/dbraw/zinc/59/27/05/1071592705.db2.gz USXRZRKSGSCHOY-PGRDOPGGSA-N 0 3 479.044 3.975 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(Cc3ccccc3C)nnc2N2C[C@@H](C)S[C@@H](C)C2)CC1 ZINC001313931773 1071593626 /nfs/dbraw/zinc/59/36/26/1071593626.db2.gz ZRUGUIBBBRWNIC-VSKRKVRLSA-N 0 3 456.704 3.534 20 0 JHADHN CCN1CCN([C@@H]2CCN(c3nnc(C(C)C)n3Cc3cccc(COCC(F)(F)F)c3)C2)CC1 ZINC001313941910 1071618281 /nfs/dbraw/zinc/61/82/81/1071618281.db2.gz BDUSMOUZWUUOSP-JOCHJYFZSA-N 0 3 494.606 3.745 20 0 JHADHN CCN1CCN([C@@H]2CCN(c3nnc(-c4ccc(Cl)cc4F)n3CCOC(C)(C)C)C2)CC1 ZINC001313944958 1071625668 /nfs/dbraw/zinc/62/56/68/1071625668.db2.gz KORBTBNCZFMSLP-LJQANCHMSA-N 0 3 479.044 3.769 20 0 JHADHN CCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@H](c2ccco2)N(C)C)C[C@H]1C ZINC001313945055 1071625734 /nfs/dbraw/zinc/62/57/34/1071625734.db2.gz GEXNYVOIBKBRDS-WIYYLYMNSA-N 0 3 457.022 3.949 20 0 JHADHN CCN1CCN([C@@H]2CCN(c3nnc(CC(C)C)n3Cc3sccc3Br)C2)CC1 ZINC001313946932 1071630514 /nfs/dbraw/zinc/63/05/14/1071630514.db2.gz IAHWOSBKHUKOEA-QGZVFWFLSA-N 0 3 481.508 3.565 20 0 JHADHN CCN1CCN([C@@H]2CCN(c3nnc(Cc4c(F)cccc4F)n3CCC=C(C)C)C2)CC1 ZINC001313947567 1071632323 /nfs/dbraw/zinc/63/23/23/1071632323.db2.gz BFZXCRZHOGMWPF-HXUWFJFHSA-N 0 3 458.601 3.720 20 0 JHADHN CCN1CCN([C@H]2CCN(c3nnc(CC(C)C)n3CC(C)(C)c3cccc(F)c3)C2)CC1 ZINC001313948922 1071634602 /nfs/dbraw/zinc/63/46/02/1071634602.db2.gz USZDWEVJLLPDTL-QHCPKHFHSA-N 0 3 456.654 3.810 20 0 JHADHN CCN1CCN([C@@H]2CCN(c3nnc(CC(C)C)n3Cc3cc(Br)cs3)C2)CC1 ZINC001313949202 1071635902 /nfs/dbraw/zinc/63/59/02/1071635902.db2.gz WLUWPPOHOBRBOG-GOSISDBHSA-N 0 3 481.508 3.565 20 0 JHADHN CCN1CCN(C[C@@H](C)Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCCCCC2)CC1 ZINC001313952542 1071645737 /nfs/dbraw/zinc/64/57/37/1071645737.db2.gz ROSJWOZMNDWMSK-DNVJHFABSA-N 0 3 460.711 3.851 20 0 JHADHN CCN1CCN(C[C@H](C)Cn2c(N3CCCO[C@H](c4ccccc4)C3)nnc2C(C)(C)C)CC1 ZINC001313952526 1071645929 /nfs/dbraw/zinc/64/59/29/1071645929.db2.gz RJRQOGDGHNKMQM-UPVQGACJSA-N 0 3 468.690 3.817 20 0 JHADHN CCN1CCN(C[C@@H](C)Cn2c(-c3n[nH]c(=O)c4ccccc43)nnc2N(CC(C)C)C(C)C)CC1 ZINC001313954312 1071651269 /nfs/dbraw/zinc/65/12/69/1071651269.db2.gz NTXYUGFCYPPXCW-OAQYLSRUSA-N 0 3 494.688 3.738 20 0 JHADHN CCN1CCN(C[C@H](C)Cn2c(Cc3c(F)cccc3F)nnc2N2CC[C@H](C)[C@H](C)C2)CC1 ZINC001313955848 1071656719 /nfs/dbraw/zinc/65/67/19/1071656719.db2.gz IVADBBOSSQYSPO-PCCBWWKXSA-N 0 3 474.644 3.903 20 0 JHADHN CCN1CCN(C[C@@H](C)Cn2c(Cc3ccc(Cl)cc3)nnc2N(C)Cc2ccccn2)CC1 ZINC001313954757 1071652861 /nfs/dbraw/zinc/65/28/61/1071652861.db2.gz CIVMRNASBSYPQD-OAQYLSRUSA-N 0 3 482.076 3.827 20 0 JHADHN CCN1CCN(C[C@@H](C)Cn2c(Cc3ccc(F)cc3)nnc2N2CCC[C@H](C(F)F)C2)CC1 ZINC001313955050 1071654128 /nfs/dbraw/zinc/65/41/28/1071654128.db2.gz DTOWZLMPBFKJFQ-CTNGQTDRSA-N 0 3 478.607 3.763 20 0 JHADHN CCN1CCN(C[C@H](C)Cn2c(CCc3ccccc3)nnc2N2CCCC(C)(C)C2)CC1 ZINC001313955396 1071655503 /nfs/dbraw/zinc/65/55/03/1071655503.db2.gz GMWBNFMIQJILHK-QHCPKHFHSA-N 0 3 452.691 3.963 20 0 JHADHN CCN1CCN(C[C@H](C)Cn2c(COc3cccc(C)c3)nnc2N2CCC[C@H](C(F)F)C2)CC1 ZINC001313957248 1071659454 /nfs/dbraw/zinc/65/94/54/1071659454.db2.gz PYRZAQPIAZCPJO-VXKWHMMOSA-N 0 3 490.643 3.921 20 0 JHADHN CCN1CCN(CCCn2c([C@@H]3CCCCO3)nnc2N(C)Cc2ccc(F)c(Cl)c2)CC1 ZINC001313957753 1071661133 /nfs/dbraw/zinc/66/11/33/1071661133.db2.gz ZAZANRWUVYAQRS-QFIPXVFZSA-N 0 3 479.044 3.976 20 0 JHADHN CCN1CCN(C[C@H](C)Cn2c(COc3cc(C)ccc3C(C)C)nnc2N2CCO[C@@H](C)C2)CC1 ZINC001313957912 1071661878 /nfs/dbraw/zinc/66/18/78/1071661878.db2.gz SALCCVMVKCKIPA-ZEQRLZLVSA-N 0 3 498.716 3.788 20 0 JHADHN CCN1CCN(C[C@@H](C)Cn2c(COc3cc(C)ccc3C(C)C)nnc2N2CCO[C@H](C)C2)CC1 ZINC001313957910 1071661913 /nfs/dbraw/zinc/66/19/13/1071661913.db2.gz SALCCVMVKCKIPA-DNQXCXABSA-N 0 3 498.716 3.788 20 0 JHADHN CCN1CCN(C[C@H](C)Cn2c(Cc3c(F)cccc3F)nnc2N2C[C@@H](C)[C@H](C)C2)CC1 ZINC001313957938 1071661932 /nfs/dbraw/zinc/66/19/32/1071661932.db2.gz SKKQYDTUBHQTDX-XUVXKRRUSA-N 0 3 460.617 3.513 20 0 JHADHN CCN1CCN(C[C@H](C)Cn2c(Cc3ccsc3)nnc2N2C[C@@H](C)C(F)(F)[C@@H](C)C2)CC1 ZINC001313958757 1071664667 /nfs/dbraw/zinc/66/46/67/1071664667.db2.gz XXELOMDIZNORMD-SLFFLAALSA-N 0 3 480.673 3.932 20 0 JHADHN CCN1CCN(CCCn2c([C@H](C)Oc3ccccc3F)nnc2N2CCC[C@@H](C)C2)CC1 ZINC001313960329 1071669869 /nfs/dbraw/zinc/66/98/69/1071669869.db2.gz IURYOEAQAFYHNL-RTWAWAEBSA-N 0 3 458.626 3.821 20 0 JHADHN CCN1CCN(CCCn2c([C@@H](C)Oc3cccc(C)c3C)nnc2N2CCCO[C@@H](C)C2)CC1 ZINC001313960538 1071669919 /nfs/dbraw/zinc/66/99/19/1071669919.db2.gz KLYVRGDVCFNBNB-LADGPHEKSA-N 0 3 484.689 3.678 20 0 JHADHN CCNC(=O)N1CCN(c2nnc(C3CCC3)n2C[C@H](c2ccsc2)N(CC)CC)CC1 ZINC001313996304 1071733089 /nfs/dbraw/zinc/73/30/89/1071733089.db2.gz LWKNKYJEWBJFDC-HXUWFJFHSA-N 0 3 459.664 3.542 20 0 JHADHN CCOC(=O)N1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](c2ccsc2)N(CC)CC)CC1 ZINC001314024024 1071780693 /nfs/dbraw/zinc/78/06/93/1071780693.db2.gz ZYAKDKUOMZTELK-CTNGQTDRSA-N 0 3 490.674 3.595 20 0 JHADHN CCOC(C)(C)Cn1c(-c2ccc(CC)cc2)nnc1N1C[C@@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 ZINC001314049231 1071870227 /nfs/dbraw/zinc/87/02/27/1071870227.db2.gz ZFMDBWGTMONQOW-PXDATVDWSA-N 0 3 496.700 3.702 20 0 JHADHN CCO[C@]1(c2nnc(N3C[C@@H](C)N(CC)C[C@@H]3C)n2CC(C)(C)c2cccs2)CCOC1 ZINC001314093908 1071971967 /nfs/dbraw/zinc/97/19/67/1071971967.db2.gz IAUBMOKNBLLSAF-YDIMBITNSA-N 0 3 461.676 3.888 20 0 JHADHN CCO[C@]1(c2nnc(N3C[C@H](C)N(CC)C[C@@H]3C)n2C[C@H](C)c2ccc(F)cc2)CCOC1 ZINC001314098149 1071978917 /nfs/dbraw/zinc/97/89/17/1071978917.db2.gz YGFSVZPIZFIUCM-AJGMTHFWSA-N 0 3 459.610 3.792 20 0 JHADHN CCO[C@]1(c2nnc(N3C[C@@H](C)N(CC)C[C@@H]3C)n2CCC2CC(OC(C)(C)C)C2)CCOC1 ZINC001314105902 1071996477 /nfs/dbraw/zinc/99/64/77/1071996477.db2.gz WNLSROICLKZFTJ-JMROXTFQSA-N 0 3 477.694 3.833 20 0 JHADHN CCO[C@]1(c2nnc(N3CCN(C(C)(C)C)CC3)n2C[C@@H](C)Cc2cccs2)CCOC1 ZINC001314134320 1072046223 /nfs/dbraw/zinc/04/62/23/1072046223.db2.gz IJFCAGMSXYETCN-YADARESESA-N 0 3 461.676 3.791 20 0 JHADHN CCO[C@]1(c2nnc(N3CCN(CC(C)C)CC3)n2Cc2ccsc2Br)CCOC1 ZINC001314138270 1072049302 /nfs/dbraw/zinc/04/93/02/1072049302.db2.gz XHRMUUAPWZBVQJ-OAQYLSRUSA-N 0 3 498.491 3.581 20 0 JHADHN CCO[C@@]1(c2nnc(N3CCN(CC(C)C)CC3)n2CC[C@@H](C)c2ccccc2)CCOC1 ZINC001314138695 1072050543 /nfs/dbraw/zinc/05/05/43/1072050543.db2.gz YHEOTXVWKHXFDR-GJZUVCINSA-N 0 3 455.647 3.902 20 0 JHADHN CCc1ccc(-c2nnc(N3CCCC[C@@H](S(C)(=O)=O)C3)n2C[C@@H](C)N(CC)CC)cc1 ZINC001305941242 1068249743 /nfs/dbraw/zinc/24/97/43/1068249743.db2.gz MFKWCLJEATUXRN-DENIHFKCSA-N 0 3 461.676 3.641 20 0 JHADHN CCc1ccc(-c2nnc(N3CCCC[C@@H](S(C)(=O)=O)C3)n2CCN(C)[C@@H](C)CC)cc1 ZINC001305941957 1068252619 /nfs/dbraw/zinc/25/26/19/1068252619.db2.gz PJCWQVHAGISJKS-SIKLNZKXSA-N 0 3 461.676 3.641 20 0 JHADHN CCc1cccc2c(CCn3c(C(=O)NC(C)C)nnc3N3C[C@H](C)N(CC)C[C@H]3C)c[nH]c21 ZINC001305968080 1068303457 /nfs/dbraw/zinc/30/34/57/1068303457.db2.gz YTYBKTVMVCDYKK-RBUKOAKNSA-N 0 3 465.646 3.622 20 0 JHADHN CCc1ccccc1OCc1nnc(N2CCN(CC(C)C)CC2)n1CCC(=O)N1CCCCC1 ZINC001305985389 1068334896 /nfs/dbraw/zinc/33/48/96/1068334896.db2.gz JBCFHSKQJGEUAD-UHFFFAOYSA-N 0 3 482.673 3.600 20 0 JHADHN CCc1ccccc1OCc1nnc(N2C[C@@H](C)N(CC)C[C@@H]2C)n1Cc1nccn1C(F)F ZINC001305985597 1068336225 /nfs/dbraw/zinc/33/62/25/1068336225.db2.gz WNCQCEOTLPLCJF-MSOLQXFVSA-N 0 3 473.572 3.978 20 0 JHADHN CCc1cnc(CN(C)c2nnc(-c3cccc(OC)c3)n2C[C@@H](C)N2CCN(CC)CC2)s1 ZINC001305995580 1068358850 /nfs/dbraw/zinc/35/88/50/1068358850.db2.gz LOKDROHMTATOHE-LJQANCHMSA-N 0 3 483.686 3.635 20 0 JHADHN CCc1csc([C@@H]2CCCN(c3nnc(C(C)C)n3CCN3CCN(C)C(C)(C)C3)C2)n1 ZINC001305998779 1068367165 /nfs/dbraw/zinc/36/71/65/1068367165.db2.gz KBVKIDMWQGSJBU-LJQANCHMSA-N 0 3 459.708 3.830 20 0 JHADHN CCc1csc([C@H]2CCCN(c3nnc(CC(C)C)n3C[C@H](C)N3CCN(CC)CC3)C2)n1 ZINC001306001121 1068373048 /nfs/dbraw/zinc/37/30/48/1068373048.db2.gz OKQCAIHWKXEZRB-SFTDATJTSA-N 0 3 473.735 3.906 20 0 JHADHN CCc1nc(C)c([C@H](C)N(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCN(C(C)C)C(C)C)s1 ZINC001306004533 1068381139 /nfs/dbraw/zinc/38/11/39/1068381139.db2.gz DYPQWXPSGOMKLN-RBUKOAKNSA-N 0 3 496.747 3.824 20 0 JHADHN CCc1nc(C)c(Cn2c(-c3ccc(OC)cc3OC)nnc2N2CCN(CC(C)C)CC2)o1 ZINC001306006549 1068385609 /nfs/dbraw/zinc/38/56/09/1068385609.db2.gz WZXIPMLURNVCHI-UHFFFAOYSA-N 0 3 468.602 3.647 20 0 JHADHN CCc1nc(CCn2c(-c3cccc(OC(F)F)c3)nnc2N2CCN(CC(C)C)CC2)no1 ZINC001306018169 1068404521 /nfs/dbraw/zinc/40/45/21/1068404521.db2.gz UJDFDAAGYZMBES-UHFFFAOYSA-N 0 3 475.544 3.513 20 0 JHADHN CCc1nc(CN(C)c2nnc(-c3ccc(OC)cc3OC)n2CCN2CC=CCC2)cs1 ZINC001306028583 1068425727 /nfs/dbraw/zinc/42/57/27/1068425727.db2.gz FIMAIZHGVMYVDQ-UHFFFAOYSA-N 0 3 468.627 3.880 20 0 JHADHN CCc1nnc(N2CC[C@@H](CN(CC)CC(F)(F)F)C2)n1C[C@@H](c1ccc(F)cc1)N(C)C ZINC001306132264 1068535069 /nfs/dbraw/zinc/53/50/69/1068535069.db2.gz CNYSVMMIMIFHAX-PXNSSMCTSA-N 0 3 470.559 3.993 20 0 JHADHN CCc1nnc(N2CCO[C@@H](c3noc(C(C)C)n3)C2)n1C[C@@H](c1ccco1)N(CC)CC ZINC001306219174 1068606810 /nfs/dbraw/zinc/60/68/10/1068606810.db2.gz CIPSKYIYWXMZPH-PKOBYXMFSA-N 0 3 457.579 3.601 20 0 JHADHN CC[C@@H]1C(=O)NCCN1c1nnc(COc2ccc(C)c(C)c2)n1C[C@H](c1cccs1)N(C)C ZINC001306262413 1068672715 /nfs/dbraw/zinc/67/27/15/1068672715.db2.gz XIQDCTXICPOVSS-NHCUHLMSSA-N 0 3 482.654 3.553 20 0 JHADHN CC[C@@H]1[C@H](C)CCN1c1nnc(COc2ccccc2OC)n1C[C@H](C)N1CCN(CC)CC1 ZINC001306279749 1068694734 /nfs/dbraw/zinc/69/47/34/1068694734.db2.gz POFXKJXULQBMPH-BHIFYINESA-N 0 3 470.662 3.517 20 0 JHADHN CC[C@@H]1CCC[C@@H]1Cn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 ZINC001306310600 1068729048 /nfs/dbraw/zinc/72/90/48/1068729048.db2.gz FURQEWZWPDSORP-NHCUHLMSSA-N 0 3 456.635 3.663 20 0 JHADHN CC[C@H]1CCCCN1CCn1c(-c2cccc(Cl)c2)nnc1N(C)[C@@H](C)CS(C)(=O)=O ZINC001306318179 1068740453 /nfs/dbraw/zinc/74/04/53/1068740453.db2.gz MUECCFHPHMVTOF-PXNSSMCTSA-N 0 3 468.067 3.732 20 0 JHADHN CC[C@@H]1CCCCN1CCn1c(-c2cccc(Cl)c2)nnc1N(C)[C@H](C)CS(C)(=O)=O ZINC001306318184 1068740651 /nfs/dbraw/zinc/74/06/51/1068740651.db2.gz MUECCFHPHMVTOF-YLJYHZDGSA-N 0 3 468.067 3.732 20 0 JHADHN CC[C@H]1CCCN(c2nnc(COc3ccc(F)cc3)n2CCCN2CCN(CC)CC2)C1 ZINC001306341911 1068778613 /nfs/dbraw/zinc/77/86/13/1068778613.db2.gz KAIGPDRMZYCENB-NRFANRHFSA-N 0 3 458.626 3.650 20 0 JHADHN CC[C@H]1CCCN1c1nnc(COc2cc(C)ccc2C)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001306355233 1068789927 /nfs/dbraw/zinc/78/99/27/1068789927.db2.gz DUVICVXDUBONJS-GOTSBHOMSA-N 0 3 482.673 3.795 20 0 JHADHN CCC1CCN(c2nnc(CCc3ccccc3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC001306380542 1068811612 /nfs/dbraw/zinc/81/16/12/1068811612.db2.gz XJFVAQGKWZTHRV-XMMPIXPASA-N 0 3 466.674 3.632 20 0 JHADHN CC[C@@H]1CN(c2nnc([C@H](C)Oc3ccccc3F)n2CCN2CCN(C)C(C)(C)C2)C[C@@H](C)O1 ZINC001306397264 1068847661 /nfs/dbraw/zinc/84/76/61/1068847661.db2.gz YPWMFOTVZZLSBI-QHAWAJNXSA-N 0 3 488.652 3.587 20 0 JHADHN CC[C@@H]1CN(c2nnc(CCOc3ccccc3)n2C[C@@H](c2cccs2)N(C)C)CCO1 ZINC001306445878 1068959065 /nfs/dbraw/zinc/95/90/65/1068959065.db2.gz AXXLNJSDUOBOBR-CTNGQTDRSA-N 0 3 455.628 3.879 20 0 JHADHN CC[C@@H]1CN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H](c2cccc(F)c2)N(C)C)CCS1 ZINC001306454292 1068975955 /nfs/dbraw/zinc/97/59/55/1068975955.db2.gz YYTIMJUCZZSSEL-YADHBBJMSA-N 0 3 471.650 3.914 20 0 JHADHN CC[C@H]1CN(c2nnc(Cn3nc(C)cc3C)n2C[C@@H](c2cccc(F)c2)N(C)C)CCS1 ZINC001306454290 1068976034 /nfs/dbraw/zinc/97/60/34/1068976034.db2.gz YYTIMJUCZZSSEL-VXKWHMMOSA-N 0 3 471.650 3.914 20 0 JHADHN O=C(NCC1(O)CCN(Cc2ccccc2)CC1)Nc1cnc(Cl)c(Br)c1 ZINC001310524536 1068999964 /nfs/dbraw/zinc/99/99/64/1068999964.db2.gz OSTSPGDUOPAXNU-UHFFFAOYSA-N 0 3 453.768 3.646 20 0 JHADHN COc1ccc([C@@H](NC(C)C)C(=O)N[C@H](C)CC(=O)Nc2cccc(N3CCCC3)c2)cc1 ZINC001306490042 1069028851 /nfs/dbraw/zinc/02/88/51/1069028851.db2.gz JRPKYYYEPZBPAH-KBMIEXCESA-N 0 3 452.599 3.868 20 0 JHADHN Cc1nc(NC(=O)N2CC[C@@H]3[C@@H]2CCCN3CCO)sc1Cc1cccc(Cl)c1F ZINC001310740971 1069144080 /nfs/dbraw/zinc/14/40/80/1069144080.db2.gz AMYSVKSPDGIRTD-SJORKVTESA-N 0 3 452.983 3.898 20 0 JHADHN COc1cc(I)ccc1NC(=O)N[C@@H](CN(C)C)c1ccc(F)cc1 ZINC001310788366 1069162823 /nfs/dbraw/zinc/16/28/23/1069162823.db2.gz XAHGGZNADMIESX-INIZCTEOSA-N 0 3 457.287 3.863 20 0 JHADHN CCC[C@](C)(O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCN(C2CCCC2)CC1 ZINC001306529708 1069165714 /nfs/dbraw/zinc/16/57/14/1069165714.db2.gz KOEIDSCALDDIHW-SANMLTNESA-N 0 3 471.646 3.968 20 0 JHADHN CCC[C@@](C)(O)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCN(C2CCOCC2)CC1 ZINC001306530380 1069169464 /nfs/dbraw/zinc/16/94/64/1069169464.db2.gz WORJQTNQWBYPDS-AJTFRIOCSA-N 0 3 485.673 3.887 20 0 JHADHN CCC[C@@](C)(O)Cn1c([C@H](C)Oc2ccccc2F)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001306531387 1069172240 /nfs/dbraw/zinc/17/22/40/1069172240.db2.gz ZMOWRLYASXPAOL-RXFWQSSRSA-N 0 3 489.636 3.657 20 0 JHADHN CN(C)CCn1nccc1NC(=O)N[C@H](c1ccc2c(c1)OCCO2)c1ccccc1Cl ZINC001310816683 1069176094 /nfs/dbraw/zinc/17/60/94/1069176094.db2.gz RLRGMYFPFJWLNL-JOCHJYFZSA-N 0 3 455.946 3.780 20 0 JHADHN CCOC(=O)c1nc2ccccn2c1NC(=O)NC[C@H](c1cccc(OC)c1)N(CC)CC ZINC001310903806 1069217093 /nfs/dbraw/zinc/21/70/93/1069217093.db2.gz GNVPEQDQNSNCFL-LJQANCHMSA-N 0 3 453.543 3.724 20 0 JHADHN CCC[C@@H]1CN(c2nnc(C(C)C)n2Cc2cccc3c2OCCCO3)CCN1CCOC ZINC001306620361 1069306508 /nfs/dbraw/zinc/30/65/08/1069306508.db2.gz YIQOOWIVZSSJSS-OAQYLSRUSA-N 0 3 457.619 3.548 20 0 JHADHN CCC[C@H]1CN(c2nnc(-c3cccnc3)n2Cc2ccc(F)c(F)c2)CCN1CCOC ZINC001306620914 1069308308 /nfs/dbraw/zinc/30/83/08/1069308308.db2.gz KVIZUJSKIJSXNQ-FQEVSTJZSA-N 0 3 456.541 3.604 20 0 JHADHN O=C1OC2(CCN(Cc3ccccc3)CC2)c2cnc(Cl)c(N3CC[C@@H]4COC[C@H]4C3)c21 ZINC001164387195 718818508 /nfs/dbraw/zinc/81/85/08/718818508.db2.gz DZZCKMPFGKLRSL-RTBURBONSA-N 0 3 453.970 3.869 20 0 JHADHN c1ccc(-c2ncc(N3CCN4C[C@@H](Oc5cncnc5)C[C@@H]4C3)nc2-c2ccccc2)cc1 ZINC001164738937 720688973 /nfs/dbraw/zinc/68/89/73/720688973.db2.gz LPIRHZYDCUXANZ-PKTZIBPZSA-N 0 3 450.546 3.943 20 0 JHADHN FC(F)(Cc1nc2c(ncnc2Cl)s1)N1CCCn2cnc(CNC3CCC3)c2C1 ZINC001164843426 720741353 /nfs/dbraw/zinc/74/13/53/720741353.db2.gz JMPXFJKIQNEQTQ-UHFFFAOYSA-N 0 3 453.950 3.620 20 0 JHADHN c1ccc(CN2CCc3nc(N(c4nc(N5CCCC5)nc5c4CNCC5)C4CC4)ccc3C2)cc1 ZINC001164841930 720743258 /nfs/dbraw/zinc/74/32/58/720743258.db2.gz AZIFOHCLCMRGDV-UHFFFAOYSA-N 0 3 481.648 3.976 20 0 JHADHN Fc1ccc(-c2nc(Cl)cc(N3CCN4C[C@@H](Oc5cncnc5)C[C@H]4C3)n2)cc1Cl ZINC001164749982 720800066 /nfs/dbraw/zinc/80/00/66/720800066.db2.gz UYELXLCFMUHLNU-GJZGRUSLSA-N 0 3 461.328 3.721 20 0 JHADHN Cn1cc(CN2CC[C@@H]3CN(c4cc(C(=O)Nc5ccc(Cl)nc5)ccc4F)C[C@H]3C2)cn1 ZINC001164768117 721134117 /nfs/dbraw/zinc/13/41/17/721134117.db2.gz NHAVGCQOIWPMQC-RTBURBONSA-N 0 3 468.964 3.818 20 0 JHADHN Cn1cc(CN2CC[C@H]3CN(c4ccc(-c5ccc(C6OCCCO6)cc5)cn4)C[C@@H]3C2)cn1 ZINC001164764175 721179687 /nfs/dbraw/zinc/17/96/87/721179687.db2.gz GLBABAOPZKVVAF-DQEYMECFSA-N 0 3 459.594 3.876 20 0 JHADHN Cn1cc(CN2CC[C@@H]3CN(c4nc(CN5CCCC5)nc5sc6c(c54)CCCC6)C[C@@H]3C2)cn1 ZINC001164767722 721201095 /nfs/dbraw/zinc/20/10/95/721201095.db2.gz KLAOHWGGUXNRLB-RTWAWAEBSA-N 0 3 491.709 3.858 20 0 JHADHN Cc1c(C)n(Cc2ccccc2)c2ncnc(N3CC[C@@]4(C3)CCC[C@@H](CN3CCN(C)CC3)O4)c12 ZINC001164899476 721434684 /nfs/dbraw/zinc/43/46/84/721434684.db2.gz YNOWILUDGJNVBB-ABYGYWHVSA-N 0 3 488.680 3.862 20 0 JHADHN O=C(NCCSCc1ccco1)c1cccnc1N1CCN2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164909900 721542837 /nfs/dbraw/zinc/54/28/37/721542837.db2.gz SHWUJHVOMJGUCE-REWPJTCUSA-N 0 3 496.608 3.819 20 0 JHADHN COCCN(C)c1nc(C2CCN(c3cc(CN(C)C)ccn3)CC2)cc2c1ncn2C(C)C ZINC001165010199 721693547 /nfs/dbraw/zinc/69/35/47/721693547.db2.gz UANLFRPHARWGAU-UHFFFAOYSA-N 0 3 465.646 3.935 20 0 JHADHN CCOC(=O)c1cc2ccc(N3CCC(F)(F)[C@]4(CCN(Cc5ccccn5)C4)C3)[nH]c-2n1 ZINC001164904872 721715641 /nfs/dbraw/zinc/71/56/41/721715641.db2.gz DRFBQEBHMFWYDT-QHCPKHFHSA-N 0 3 455.509 3.872 20 0 JHADHN COc1cc(OC)c2ncnc(N3CCC(F)(F)[C@@]4(CCN(Cc5ccccn5)C4)C3)c2c1 ZINC001164913862 721737317 /nfs/dbraw/zinc/73/73/17/721737317.db2.gz ZADNFZIZKMXBTE-HSZRJFAPSA-N 0 3 455.509 3.780 20 0 JHADHN FC(F)(c1ccc2ncnc(Cl)c2n1)N1CCC2(CC1)COCCN(Cc1ccncc1)C2 ZINC001164964498 722057912 /nfs/dbraw/zinc/05/79/12/722057912.db2.gz VETMHLPIJJHKDB-UHFFFAOYSA-N 0 3 474.943 3.737 20 0 JHADHN FC(F)(c1ccc2ncnc(Cl)c2c1)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164981757 722110865 /nfs/dbraw/zinc/11/08/65/722110865.db2.gz VDCMWIVYCSKZLB-UTKZUKDTSA-N 0 3 459.928 3.950 20 0 JHADHN CC(C)(C)OC(=O)c1cnc(Cl)cc1N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164978405 722126989 /nfs/dbraw/zinc/12/69/89/722126989.db2.gz ONMRPXOCXNMTOS-NQIIRXRSSA-N 0 3 458.990 3.813 20 0 JHADHN FC(F)(Cc1nc(Cl)cc(Cl)n1)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164972764 722135380 /nfs/dbraw/zinc/13/53/80/722135380.db2.gz AKTUEHUDXFEOBE-JKSUJKDBSA-N 0 3 458.340 3.537 20 0 JHADHN c1ccc2nc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)c(N3CCCCC3)nc2c1 ZINC001164975221 722138340 /nfs/dbraw/zinc/13/83/40/722138340.db2.gz FTKBJTUUZCKLCB-WIOPSUGQSA-N 0 3 458.610 3.742 20 0 JHADHN c1cc2c(nc(-c3ccccn3)nc2N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)s1 ZINC001164976054 722152073 /nfs/dbraw/zinc/15/20/73/722152073.db2.gz GVSHKURHXHPTBY-SIKLNZKXSA-N 0 3 458.591 3.876 20 0 JHADHN FC(F)(Oc1cc(Cl)nc(Cl)c1)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164972600 722155345 /nfs/dbraw/zinc/15/53/45/722155345.db2.gz IOUUHNLBTNJOCJ-RDJZCZTQSA-N 0 3 459.324 3.935 20 0 JHADHN CCC[C@H]1CN(c2nnc(-c3ccc[nH]3)n2C[C@H](C)c2nc(C)cs2)CCN1CCOC ZINC001306622562 1069312458 /nfs/dbraw/zinc/31/24/58/1069312458.db2.gz ZZYKRJQFGFUHLB-HKUYNNGSSA-N 0 3 457.648 3.779 20 0 JHADHN C[C@](NC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1CO)(c1ccc(F)cc1)C(F)(F)F ZINC001311275532 1069313250 /nfs/dbraw/zinc/31/32/50/1069313250.db2.gz WVQIYONMMQAVHK-WEYGHZABSA-N 0 3 453.480 3.785 20 0 JHADHN CCC[C@@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2C[C@]2(O)CCCC2(C)C)CCN1CCOC ZINC001306623380 1069314397 /nfs/dbraw/zinc/31/43/97/1069314397.db2.gz RSRALUTVROPTLA-CJFMBICVSA-N 0 3 491.080 3.872 20 0 JHADHN CCC[C@@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2C[C@@]2(O)CCCC2(C)C)CCN1CCOC ZINC001306623383 1069314935 /nfs/dbraw/zinc/31/49/35/1069314935.db2.gz RSRALUTVROPTLA-NLFFAJNJSA-N 0 3 491.080 3.872 20 0 JHADHN CCC[C@@H]1CN(c2nnc(-c3cccc(C)n3)n2Cc2ccc(NC(C)=O)cc2)CCN1CCOC ZINC001306623488 1069315432 /nfs/dbraw/zinc/31/54/32/1069315432.db2.gz JBEQJBVAXBYDAO-XMMPIXPASA-N 0 3 491.640 3.592 20 0 JHADHN COc1ccc([C@H](CNC(=O)NC[C@H]2CC(c3ccc(C)c(C)c3)=NO2)N2CCCC2)cc1 ZINC001311348023 1069334387 /nfs/dbraw/zinc/33/43/87/1069334387.db2.gz XUTCTNIKFFEJMY-NOZRDPDXSA-N 0 3 450.583 3.941 20 0 JHADHN O=C(NC1CCN(CCOc2ccc(Br)cc2)CC1)[C@H]1CCCc2cccnc21 ZINC001306633193 1069335919 /nfs/dbraw/zinc/33/59/19/1069335919.db2.gz KTHCONYPNVADFO-NRFANRHFSA-N 0 3 458.400 3.924 20 0 JHADHN CC[C@H](CNC(=O)NC[C@H](c1cccc(C)c1)N1CCOCC1)N1CCc2ccccc2C1 ZINC001311392895 1069359125 /nfs/dbraw/zinc/35/91/25/1069359125.db2.gz XEQUIJFHLSZNGD-CLJLJLNGSA-N 0 3 450.627 3.504 20 0 JHADHN CN1CCO[C@H]([C@@H](NC(=O)N[C@@H](CN2CCCC2)c2ccccc2)c2ccc(Cl)cc2)C1 ZINC001311405055 1069363863 /nfs/dbraw/zinc/36/38/63/1069363863.db2.gz IBHWHUKEOOMNOD-HJOGWXRNSA-N 0 3 457.018 3.848 20 0 JHADHN CN(C)[C@@H](CNC(=O)NCCCN1CCN(C)C[C@@H]1c1ccccc1)c1ccccc1Cl ZINC001311421594 1069369440 /nfs/dbraw/zinc/36/94/40/1069369440.db2.gz CIJRIRSOALXVBA-BJKOFHAPSA-N 0 3 458.050 3.621 20 0 JHADHN CN(Cc1nccs1)C(=O)NCCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC001311451412 1069384643 /nfs/dbraw/zinc/38/46/43/1069384643.db2.gz DCBOBLXGUFNEEB-UHFFFAOYSA-N 0 3 455.550 3.906 20 0 JHADHN CCN(CC)[C@@H](CNC(=O)N[C@H]1CCCN(Cc2ccccc2)C1=O)c1cccc(OC)c1 ZINC001311469675 1069393442 /nfs/dbraw/zinc/39/34/42/1069393442.db2.gz NPTDESPXCIQPBW-ZEQRLZLVSA-N 0 3 452.599 3.569 20 0 JHADHN CCCCN(C)c1nnc([C@H]2COCCN2C(=O)OC(C)(C)C)n1CCN(C)Cc1ccccc1 ZINC001306675001 1069399352 /nfs/dbraw/zinc/39/93/52/1069399352.db2.gz NVGTXEOKXOALGV-JOCHJYFZSA-N 0 3 486.661 3.955 20 0 JHADHN CCCCN(C)CCn1c(-c2cc(C)nc3ccccc32)nnc1N1CCC[C@H](S(C)(=O)=O)C1 ZINC001306682026 1069411934 /nfs/dbraw/zinc/41/19/34/1069411934.db2.gz ZZFNVIXTZMPBPE-FQEVSTJZSA-N 0 3 484.670 3.547 20 0 JHADHN O=C(NCCOc1ccc(C(F)(F)F)cc1)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC001311530136 1069425196 /nfs/dbraw/zinc/42/51/96/1069425196.db2.gz VUDABGKQOAODNV-OAQYLSRUSA-N 0 3 451.489 3.675 20 0 JHADHN CCC(CC)[C@H](CNC(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1)N1CCOCC1 ZINC001311536532 1069429013 /nfs/dbraw/zinc/42/90/13/1069429013.db2.gz WWLCEBCNGYCVLT-VXKWHMMOSA-N 0 3 450.693 3.957 20 0 JHADHN CCCCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1C[C@H](C)C[C@@H](C)C1 ZINC001306694604 1069431444 /nfs/dbraw/zinc/43/14/44/1069431444.db2.gz JMDCHQNTFNOFDQ-VAMGGRTRSA-N 0 3 453.697 3.563 20 0 JHADHN CC1CCN([C@H](CNC(=O)NC[C@H](CO)Cc2ccc(F)c(F)c2)c2cccs2)CC1 ZINC001311568120 1069441356 /nfs/dbraw/zinc/44/13/56/1069441356.db2.gz BWTQWRIXXJRCTQ-WIYYLYMNSA-N 0 3 451.583 3.950 20 0 JHADHN CC(C)C[C@H]1CN(CCCc2ccccc2)CCN1C(=O)NCc1nnc2n1CCCCC2 ZINC001311605352 1069459057 /nfs/dbraw/zinc/45/90/57/1069459057.db2.gz PLXIZCJEWDFIPX-QHCPKHFHSA-N 0 3 452.647 3.879 20 0 JHADHN C[C@@H](NC(=O)N1CCN(C(=O)[C@@H]2CCCN2C)CC1)c1ccc(Oc2ccccc2)c(F)c1 ZINC001311619069 1069469972 /nfs/dbraw/zinc/46/99/72/1069469972.db2.gz JJQJEVQWRFDCEI-GCJKJVERSA-N 0 3 454.546 3.627 20 0 JHADHN CCCN(C(=O)NCCCCN1CCN(Cc2ccccc2)CC1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC001311630851 1069478877 /nfs/dbraw/zinc/47/88/77/1069478877.db2.gz UUMAGQYCDMQFEK-ISJGIBHGSA-N 0 3 456.675 3.820 20 0 JHADHN CCCCNC(=O)C1CCN(c2nnc(C(C)C)n2CCCN2CCc3ccccc3C2)CC1 ZINC001306741537 1069517384 /nfs/dbraw/zinc/51/73/84/1069517384.db2.gz FGNRWOSFNWMJBA-UHFFFAOYSA-N 0 3 466.674 3.983 20 0 JHADHN CC(C)(CNC(=O)N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)N1CCc2ccccc2C1 ZINC001311719933 1069519017 /nfs/dbraw/zinc/51/90/17/1069519017.db2.gz HAKAVOFVBADVKX-OAQYLSRUSA-N 0 3 458.965 3.721 20 0 JHADHN Cc1ccc([C@H](CNC(=O)NCc2ccc(S(C)(=O)=O)c(C(F)(F)F)c2)N(C)C)cc1 ZINC001311744616 1069530484 /nfs/dbraw/zinc/53/04/84/1069530484.db2.gz IOHRGBCJGZKTHA-SFHVURJKSA-N 0 3 457.518 3.519 20 0 JHADHN C[C@@H](CC(=O)Nc1cccc(N2CCCC2)c1)NC(=O)N[C@@H](CN(C)C)c1ccc(F)cc1 ZINC001311849023 1069578515 /nfs/dbraw/zinc/57/85/15/1069578515.db2.gz YFKKEYIAQKFJJM-MBSDFSHPSA-N 0 3 455.578 3.745 20 0 JHADHN CCC[C@H](NC(=O)N[C@H]1CCN(Cc2ccc(C)cc2)C1)C(=O)N1CCc2sccc2C1 ZINC001311856800 1069582998 /nfs/dbraw/zinc/58/29/98/1069582998.db2.gz DGHUTXFRPTXKCX-VXKWHMMOSA-N 0 3 454.640 3.684 20 0 JHADHN CCCN(CC)CCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(S(=O)(=O)CC)CC1 ZINC001306806855 1069620264 /nfs/dbraw/zinc/62/02/64/1069620264.db2.gz KPTFADWQTMMDJX-UHFFFAOYSA-N 0 3 486.057 3.873 20 0 JHADHN CCOc1cc(C)ccc1Cn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 ZINC001314155061 1069624764 /nfs/dbraw/zinc/62/47/64/1069624764.db2.gz ATONKTVYZFWDBN-UHFFFAOYSA-N 0 3 494.640 3.592 20 0 JHADHN CCOc1cc(C)ccc1Cn1c([C@H](C)CC)nnc1N1C[C@@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 ZINC001314156653 1069629113 /nfs/dbraw/zinc/62/91/13/1069629113.db2.gz IVWUAWQGDAYGOO-TZBSWOFLSA-N 0 3 496.700 3.926 20 0 JHADHN CCCN(C(=O)N[C@H](c1cccc(S(C)(=O)=O)c1)c1ccc(C)cc1C)[C@@H]1CCN(C)C1 ZINC001311967740 1069642568 /nfs/dbraw/zinc/64/25/68/1069642568.db2.gz KKLWCLIPAKFPIS-ZJSXRUAMSA-N 0 3 457.640 3.922 20 0 JHADHN CC(C)n1ncc(C(=O)NCCN2CCC3(CCCCC3)CC2)c1I ZINC001306831519 1069648383 /nfs/dbraw/zinc/64/83/83/1069648383.db2.gz IOEPMNLXIHUDIE-UHFFFAOYSA-N 0 3 458.388 3.845 20 0 JHADHN CN1CCCC(C)(C)[C@@H]1CNC(=O)c1ccc2c(c1)[nH]c(=S)n(-c1ccccc1F)c2=O ZINC001306840537 1069654296 /nfs/dbraw/zinc/65/42/96/1069654296.db2.gz WSXYWGGLZZTIOT-FQEVSTJZSA-N 0 3 454.571 3.664 20 0 JHADHN COc1ccc(F)cc1CN1CCN(C(=O)N[C@H](CN2CCCCC2)c2ccccc2)CC1 ZINC001312011892 1069668888 /nfs/dbraw/zinc/66/88/88/1069668888.db2.gz KOJNHDFVOLAJRP-XMMPIXPASA-N 0 3 454.590 3.889 20 0 JHADHN O=C(NCCC1(O)CCN(c2ccccc2)CC1)N[C@@H](CN1CCCCC1)c1ccccc1 ZINC001312012187 1069669631 /nfs/dbraw/zinc/66/96/31/1069669631.db2.gz MZDAKPOUUDMIDS-VWLOTQADSA-N 0 3 450.627 3.934 20 0 JHADHN CCOc1ccc(-c2nnc(N3C[C@H](C)N(CC)C[C@@H]3C)n2CCc2nnc(C)s2)cc1OC ZINC001314169138 1069675630 /nfs/dbraw/zinc/67/56/30/1069675630.db2.gz UGQBEVUZYQZPKE-IRXDYDNUSA-N 0 3 485.658 3.674 20 0 JHADHN CCOc1ccc(-c2nnc(N3CCS[C@H](C)[C@@H]3C)n2CCN2CC=CCC2)cc1OC ZINC001314179246 1069718168 /nfs/dbraw/zinc/71/81/68/1069718168.db2.gz UFIOERKZGRWCOO-RBUKOAKNSA-N 0 3 457.644 3.945 20 0 JHADHN Cc1ccc(NC(=O)C2(CNC(=O)N3CCN(C4CCOCC4)C[C@H]3C)CCCC2)cc1C ZINC001312125907 1069733602 /nfs/dbraw/zinc/73/36/02/1069733602.db2.gz OUYDWNFEXKOKFB-OAQYLSRUSA-N 0 3 456.631 3.697 20 0 JHADHN CCOc1ccc(Cn2c(C(=O)NC(CC)CC)nnc2N2C[C@H](C)N(CC)C[C@@H]2C)cc1 ZINC001314185089 1069736919 /nfs/dbraw/zinc/73/69/19/1069736919.db2.gz DJQRDPDVURHBNI-OALUTQOASA-N 0 3 456.635 3.562 20 0 JHADHN COc1cccc(CC2CCN(C(=O)NCc3ccccc3CN3CCC(O)CC3)CC2)c1 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CCN1C[C@H](C)N(c2nnc(Cc3ccc(Cl)cc3)n2CCNC(=O)C(C)(C)C)C[C@H]1C ZINC001313874312 1071427048 /nfs/dbraw/zinc/42/70/48/1071427048.db2.gz NLHPNLGCZACCSM-MSOLQXFVSA-N 0 3 461.054 3.604 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(Cc3ccc(Cl)cc3)n2CCCCCS(C)(=O)=O)C[C@@H]1C ZINC001313874081 1071427126 /nfs/dbraw/zinc/42/71/26/1071427126.db2.gz MKZRZFHAKAUSBW-OALUTQOASA-N 0 3 482.094 3.656 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(COc3ccc(C)c(C)c3)n2Cc2ccc(F)cn2)C[C@H]1C ZINC001313874724 1071430628 /nfs/dbraw/zinc/43/06/28/1071430628.db2.gz JUKZFYTVWITCNH-UXHICEINSA-N 0 3 452.578 3.975 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3ccccn3)n2C[C@@H]2CCCN2C(=O)OC(C)(C)C)C[C@H]1C ZINC001313875332 1071433033 /nfs/dbraw/zinc/43/30/33/1071433033.db2.gz RTTSYFDXRWOOMV-AABGKKOBSA-N 0 3 469.634 3.659 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(-c3ccccc3C)n2Cc2ccc(OC)nc2OC)C[C@H]1C ZINC001313877269 1071439013 /nfs/dbraw/zinc/43/90/13/1071439013.db2.gz VRMHETZRMBGRRM-RTBURBONSA-N 0 3 450.587 3.633 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(Cc3ccccn3)n2C[C@@](C)(O)c2cccc(Cl)c2)C[C@H]1C ZINC001313879242 1071448434 /nfs/dbraw/zinc/44/84/34/1071448434.db2.gz ZIIAEDZRPQWZGV-HHJKRLRDSA-N 0 3 469.033 3.744 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(-c3ccccc3Br)n2CCC2(O)CCC2)C[C@H]1C ZINC001313878845 1071445944 /nfs/dbraw/zinc/44/59/44/1071445944.db2.gz ZCKSXSILIZCYQX-IAGOWNOFSA-N 0 3 462.436 3.932 20 0 JHADHN CCN1C[C@H](C)N(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H](OC)c2ccc(Cl)cc2)C[C@@H]1C ZINC001313881298 1071454568 /nfs/dbraw/zinc/45/45/68/1071454568.db2.gz BULIYUKUYUMLBW-XMFZQDBWSA-N 0 3 492.064 3.962 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(COc3ccccc3OC)n2C[C@H]2CSCCS2)C[C@H]1C ZINC001313882699 1071459038 /nfs/dbraw/zinc/45/90/38/1071459038.db2.gz GFRGMSLXIOSNSX-QYZOEREBSA-N 0 3 477.700 3.633 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc([C@@H]3CCCN3C(=O)OC(C)(C)C)n2CCC2(O)CCC2)C[C@@H]1C ZINC001313888655 1071478484 /nfs/dbraw/zinc/47/84/84/1071478484.db2.gz XDRLFDONJFIZDI-ZCNNSNEGSA-N 0 3 476.666 3.574 20 0 JHADHN CCN1CCC[C@@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@@H](C)S[C@@H](C)C1 ZINC001313897421 1071501754 /nfs/dbraw/zinc/50/17/54/1071501754.db2.gz JGKKRZDZUGAXDO-SVFBPWRDSA-N 0 3 456.660 3.962 20 0 JHADHN CCN1CCC[C@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCCC[C@H](C)C1 ZINC001313898283 1071505123 /nfs/dbraw/zinc/50/51/23/1071505123.db2.gz PLEALDKTUDWHBJ-RXVVDRJESA-N 0 3 459.038 3.972 20 0 JHADHN CCN1CCCC[C@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@@H](OC)C(C)(C)C1 ZINC001313903949 1071516828 /nfs/dbraw/zinc/51/68/28/1071516828.db2.gz GFMUWOKIXCROSQ-FCHUYYIVSA-N 0 3 468.646 3.883 20 0 JHADHN CCN1CCCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1Cc2ccc(Br)cc2C1 ZINC001313906290 1071523407 /nfs/dbraw/zinc/52/34/07/1071523407.db2.gz PJFLMOQGMNTFEU-LJQANCHMSA-N 0 3 475.435 3.573 20 0 JHADHN CNC(=O)C1CCN(c2nnc(-c3cccc(Cl)c3)n2C[C@@H](c2ccsc2)N(C)C)CC1 ZINC001315000944 1071523367 /nfs/dbraw/zinc/52/33/67/1071523367.db2.gz VORJUKQVYAWWAX-FQEVSTJZSA-N 0 3 473.046 3.925 20 0 JHADHN CNC(=O)CC1CCN(c2nnc(C3CCCC3)n2C[C@H](c2cccc(F)c2)N(C)C)CC1 ZINC001315021660 1071543059 /nfs/dbraw/zinc/54/30/59/1071543059.db2.gz BUHULWXSMCAQOM-JOCHJYFZSA-N 0 3 456.610 3.730 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCC[C@@H](C(C)C)C2)CC1 ZINC001313919711 1071557449 /nfs/dbraw/zinc/55/74/49/1071557449.db2.gz FMFGAIUGJWCAQY-RBUKOAKNSA-N 0 3 492.510 3.934 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(-c3cccc(Cl)c3)nnc2N2CCC(F)(F)CC2)CC1 ZINC001313920528 1071559475 /nfs/dbraw/zinc/55/94/75/1071559475.db2.gz KBWONYMJFKLFFX-QGZVFWFLSA-N 0 3 452.981 3.860 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(C3CCC3)nnc2N(C)CCOc2ccccc2Cl)CC1 ZINC001313926111 1071575631 /nfs/dbraw/zinc/57/56/31/1071575631.db2.gz CIVNXMSALGKODA-IBGZPJMESA-N 0 3 461.054 3.740 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(C3CC3)nnc2N(C)Cc2csc(Br)c2)CC1 ZINC001313926064 1071575671 /nfs/dbraw/zinc/57/56/71/1071575671.db2.gz BSPNPHNNQARLMV-OAHLLOKOSA-N 0 3 467.481 3.642 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(-c3ccc(Cl)cc3)nnc2N2C[C@@H](C)OC(C)(C)C2)CC1 ZINC001313925207 1071572848 /nfs/dbraw/zinc/57/28/48/1071572848.db2.gz MUOASVZMIZSAMQ-RTBURBONSA-N 0 3 461.054 3.628 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(-c3ccc4ccccc4n3)nnc2N(C)CCOC(C)(C)C)CC1 ZINC001313925414 1071573921 /nfs/dbraw/zinc/57/39/21/1071573921.db2.gz PZOMGTAVJGBGIO-OAQYLSRUSA-N 0 3 479.673 3.771 20 0 JHADHN CCN(Cc1c(F)cccc1F)c1nnc(Cc2cccnc2)n1C[C@H](C)N1CCN(CC)CC1 ZINC001313925697 1071574112 /nfs/dbraw/zinc/57/41/12/1071574112.db2.gz BBKSHDFEHWJJFO-FQEVSTJZSA-N 0 3 483.611 3.595 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(COc3ccc(C)c(C)c3)nnc2N2CCC[C@@H]2CSC)CC1 ZINC001313926183 1071575427 /nfs/dbraw/zinc/57/54/27/1071575427.db2.gz AZXHDZPBHZQLAF-DHIUTWEWSA-N 0 3 486.730 3.832 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(CC3CCCC3)nnc2N(C)Cc2ccc(OC)cc2)CC1 ZINC001313926841 1071576119 /nfs/dbraw/zinc/57/61/19/1071576119.db2.gz GVKXSXXDACFYIS-NRFANRHFSA-N 0 3 454.663 3.682 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(CC3CCCC3)nnc2N(C)Cc2ccc(OC)cc2)CC1 ZINC001313926842 1071576162 /nfs/dbraw/zinc/57/61/62/1071576162.db2.gz GVKXSXXDACFYIS-OAQYLSRUSA-N 0 3 454.663 3.682 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(Cc3ccccc3C)nnc2N2CC(C)(C)OC(C)(C)C2)CC1 ZINC001313927294 1071578057 /nfs/dbraw/zinc/57/80/57/1071578057.db2.gz IJGXIJZPTHEPEP-QFIPXVFZSA-N 0 3 468.690 3.597 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(-c3ccc(Cl)cc3OC)nnc2N2CCC(F)(F)CC2)CC1 ZINC001313927089 1071578800 /nfs/dbraw/zinc/57/88/00/1071578800.db2.gz ZYVGBTVHKOCNRZ-KRWDZBQOSA-N 0 3 483.007 3.869 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(Cc3ccccc3F)nnc2N(C)C[C@H]2CC=CCC2)CC1 ZINC001313927358 1071580039 /nfs/dbraw/zinc/58/00/39/1071580039.db2.gz JWMVXVZLZFFGTI-YADHBBJMSA-N 0 3 454.638 3.827 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(CSc3ccc(C)cc3)nnc2N(C)Cc2cc(C)on2)CC1 ZINC001313928165 1071583269 /nfs/dbraw/zinc/58/32/69/1071583269.db2.gz QZXFAVTZJFZDAG-FQEVSTJZSA-N 0 3 483.686 3.838 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCS[C@H](C(C)C)C2)CC1 ZINC001313929006 1071585384 /nfs/dbraw/zinc/58/53/84/1071585384.db2.gz WZSSOVUIWGVIBK-GSPCLOLRSA-N 0 3 492.778 3.801 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(COc3cc(C)ccc3C)nnc2N2CCC=C(C)C2)CC1 ZINC001313929017 1071586026 /nfs/dbraw/zinc/58/60/26/1071586026.db2.gz XAIPLJUMMZUDJJ-HSZRJFAPSA-N 0 3 452.647 3.656 20 0 JHADHN CCN1CCN([C@H](C)Cn2c([C@H]3CCCCO3)nnc2N(C)Cc2c(F)cccc2Cl)CC1 ZINC001313931534 1071592402 /nfs/dbraw/zinc/59/24/02/1071592402.db2.gz USXRZRKSGSCHOY-XMSQKQJNSA-N 0 3 479.044 3.975 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(CC(C)C)nnc2N2CCC[C@H]2c2ccc(COC)o2)CC1 ZINC001313931342 1071591887 /nfs/dbraw/zinc/59/18/87/1071591887.db2.gz XYALSEZLNJEXTL-UNMCSNQZSA-N 0 3 458.651 3.584 20 0 JHADHN CCN1CCN([C@H]2CCN(c3nnc(C(C)(C)C)n3Cc3ccc(OC)cc3C(F)(F)F)C2)CC1 ZINC001313944201 1071624558 /nfs/dbraw/zinc/62/45/58/1071624558.db2.gz YRZTXWMEGYNSHU-IBGZPJMESA-N 0 3 494.606 3.868 20 0 JHADHN CCN1CCN([C@@H]2CCN(c3nnc(-c4ccccc4OC)n3C[C@H](SC)C(C)(C)C)C2)CC1 ZINC001313948769 1071633925 /nfs/dbraw/zinc/63/39/25/1071633925.db2.gz RONRTNTVGUDWBA-OFNKIYASSA-N 0 3 486.730 3.948 20 0 JHADHN CCN1CCN([C@H]2CCN(c3nnc(Cc4ccccc4OC)n3CC(C)(C)C(C)C)C2)CC1 ZINC001313947857 1071632849 /nfs/dbraw/zinc/63/28/49/1071632849.db2.gz CYGJKPFPLUSSOM-QHCPKHFHSA-N 0 3 468.690 3.776 20 0 JHADHN CCN1CCN([C@@H]2CCN(c3nnc(CC(C)C)n3CC(C)(C)c3cccc(F)c3)C2)CC1 ZINC001313948921 1071634549 /nfs/dbraw/zinc/63/45/49/1071634549.db2.gz USZDWEVJLLPDTL-HSZRJFAPSA-N 0 3 456.654 3.810 20 0 JHADHN CCN1CCN(C[C@@H](C)Cn2c(COc3ccc(F)cc3)nnc2N2CCC[C@@H]2C(C)C)CC1 ZINC001313952696 1071646537 /nfs/dbraw/zinc/64/65/37/1071646537.db2.gz UBUJEXVHFNAAES-ZJSXRUAMSA-N 0 3 472.653 3.895 20 0 JHADHN CCN1CCN(C[C@H](C)Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CC=C(C)CC2)CC1 ZINC001313952953 1071647122 /nfs/dbraw/zinc/64/71/22/1071647122.db2.gz VIHUBOVCXFTNSR-YTFSRNRJSA-N 0 3 458.695 3.627 20 0 JHADHN CCN1CCN(C[C@H](C)Cn2c([C@H]3CCCOC3)nnc2N(C)[C@H](C)c2ccc(F)c(F)c2)CC1 ZINC001313954254 1071651253 /nfs/dbraw/zinc/65/12/53/1071651253.db2.gz MNBIMWHTIGEXQH-VWPQPMDRSA-N 0 3 490.643 3.921 20 0 JHADHN CCN1CCN(C[C@H](C)Cn2c(CC(C)C)nnc2N(C)Cc2nc3ccccc3s2)CC1 ZINC001313955931 1071656773 /nfs/dbraw/zinc/65/67/73/1071656773.db2.gz IZLSPASGEVNMNN-FQEVSTJZSA-N 0 3 469.703 3.996 20 0 JHADHN CCN1CCN(C[C@H](C)Cn2c(C3CCC3)nnc2N(C)[C@H](C)c2ccc([S@](C)=O)cc2)CC1 ZINC001313954833 1071652952 /nfs/dbraw/zinc/65/29/52/1071652952.db2.gz QCXJQXBCQKDUGF-GDVWVFDVSA-N 0 3 486.730 3.754 20 0 JHADHN CCN1CCN(C[C@@H](C)Cn2c(Cc3csc(C)n3)nnc2N2CCCC[C@H](SC)C2)CC1 ZINC001313958088 1071662467 /nfs/dbraw/zinc/66/24/67/1071662467.db2.gz TVWZPJATRNKEHW-KNQAVFIVSA-N 0 3 491.775 3.629 20 0 JHADHN CCN1CCN(CCCn2c([C@@H]3CCCOC3)nnc2N(C)[C@@H](C)c2ccccc2F)CC1 ZINC001313956764 1071657918 /nfs/dbraw/zinc/65/79/18/1071657918.db2.gz KUMVMHCDUUCMNW-LEWJYISDSA-N 0 3 458.626 3.536 20 0 JHADHN CCN1CCN(CCCn2c(CC(C)C)nnc2N2CCC(c3ccc(OC)cc3)CC2)CC1 ZINC001313956712 1071658037 /nfs/dbraw/zinc/65/80/37/1071658037.db2.gz KAXGTSDNWFGNME-UHFFFAOYSA-N 0 3 468.690 3.897 20 0 JHADHN CCN1CCN(C[C@H](C)Cn2c(Cn3nc(C)cc3C)nnc2N(C)[C@H](C)c2cccs2)CC1 ZINC001313957262 1071659993 /nfs/dbraw/zinc/65/99/93/1071659993.db2.gz QCJIZCJSYSMEKL-SIKLNZKXSA-N 0 3 484.718 3.672 20 0 JHADHN CCN1CCN(C[C@H](C)Cn2c(CCc3ccc(OC)cc3)nnc2N2C[C@H](C)C[C@@H](C)C2)CC1 ZINC001313957920 1071661827 /nfs/dbraw/zinc/66/18/27/1071661827.db2.gz SBVSDERGOUVAIU-SMIHKQSGSA-N 0 3 482.717 3.828 20 0 JHADHN CCN1CCN(C[C@H](C)Cn2c(COc3cccc(C)c3)nnc2N2CCS[C@H](C)[C@@H]2C)CC1 ZINC001313958123 1071663155 /nfs/dbraw/zinc/66/31/55/1071663155.db2.gz UJKFYMMGUXXZTH-RJGXRXQPSA-N 0 3 486.730 3.769 20 0 JHADHN CCN1CCN(C[C@@H](C)Cn2c(Cc3csc(C)n3)nnc2N2CC[C@@](C)(CC)C2)CC1 ZINC001313958473 1071664178 /nfs/dbraw/zinc/66/41/78/1071664178.db2.gz XCIKGDCSGURNBY-NTKDMRAZSA-N 0 3 459.708 3.534 20 0 JHADHN CCN1CCN(C[C@H](C)Cn2c(COc3cccc(C)c3)nnc2N2C[C@@H](C)S[C@H](C)C2)CC1 ZINC001313958928 1071665028 /nfs/dbraw/zinc/66/50/28/1071665028.db2.gz YVKWRMLIGBOFMX-YTFSRNRJSA-N 0 3 486.730 3.769 20 0 JHADHN CCN1CCN(CCCn2c(Cc3ccccc3C)nnc2N2CCS[C@H](C)[C@@H]2C)CC1 ZINC001313960182 1071669258 /nfs/dbraw/zinc/66/92/58/1071669258.db2.gz FQEICYLWYFODFK-FCHUYYIVSA-N 0 3 456.704 3.535 20 0 JHADHN CCN1CCN(CCCn2c(COc3cc(C)cc(C)c3)nnc2N2CC[C@H](C)[C@H]2C)CC1 ZINC001313960792 1071671183 /nfs/dbraw/zinc/67/11/83/1071671183.db2.gz MPWLMDKGRNCHST-XZOQPEGZSA-N 0 3 454.663 3.736 20 0 JHADHN CCN1CCN(CCCn2c(COc3ccc(F)cc3)nnc2N2CC[C@@H](C)[C@H](C)C2)CC1 ZINC001313961081 1071671575 /nfs/dbraw/zinc/67/15/75/1071671575.db2.gz QBZGGNSBVXGFCI-NHCUHLMSSA-N 0 3 458.626 3.506 20 0 JHADHN CCN1CCN(CCCn2c(COc3cc(C)ccc3C)nnc2N2CC[C@H](C(C)C)C2)CC1 ZINC001313961946 1071673828 /nfs/dbraw/zinc/67/38/28/1071673828.db2.gz ZYFIUGKZRLTBLC-DEOSSOPVSA-N 0 3 468.690 3.984 20 0 JHADHN CCNC(=O)N1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@H](c2ccsc2)N(C)C)CC1 ZINC001313994330 1071728736 /nfs/dbraw/zinc/72/87/36/1071728736.db2.gz LKXUATOXZZFUET-FQEVSTJZSA-N 0 3 488.061 3.814 20 0 JHADHN CCOC(=O)N[C@@H](CC(C)C)Cn1c(-c2ccc(C)o2)nnc1N1CCN(CC2CC2)CC1 ZINC001314030869 1071803771 /nfs/dbraw/zinc/80/37/71/1071803771.db2.gz XPNLGOKEGVYZFX-FQEVSTJZSA-N 0 3 458.607 3.539 20 0 JHADHN CCOC(=O)N[C@H]1CCCN(c2nnc(CC(C)(C)C)n2C[C@@H](c2ccccc2)N(C)C)C1 ZINC001314037718 1071831404 /nfs/dbraw/zinc/83/14/04/1071831404.db2.gz ATETXLCKNYYREU-SFTDATJTSA-N 0 3 456.635 3.885 20 0 JHADHN CCOC(C)(C)Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C ZINC001314042264 1071848243 /nfs/dbraw/zinc/84/82/43/1071848243.db2.gz UHKLMKCMQOYVJZ-NRFANRHFSA-N 0 3 498.672 3.652 20 0 JHADHN CCO[C@]1(c2nnc(N(C)Cc3ccc(C)o3)n2C[C@H](c2ccc(F)cc2)N(C)C)CCOC1 ZINC001314082306 1071945698 /nfs/dbraw/zinc/94/56/98/1071945698.db2.gz DIBXLBNXOOASDV-RCZVLFRGSA-N 0 3 471.577 3.910 20 0 JHADHN CCO[C@]1(c2nnc(N3C[C@H](C)N(CC)C[C@H]3C)n2CCc2ccccc2OC(F)F)CCOC1 ZINC001314101493 1071985981 /nfs/dbraw/zinc/98/59/81/1071985981.db2.gz DFQQRLBWTYGXAE-OSWQYVSFSA-N 0 3 493.599 3.693 20 0 JHADHN CCO[C@]1(c2nnc(N3CCS[C@@H](C(C)C)C3)n2C[C@H](c2ccccc2)N(C)C)CCOC1 ZINC001314139422 1072052564 /nfs/dbraw/zinc/05/25/64/1072052564.db2.gz AAWLFABHAZMWJJ-TZBSWOFLSA-N 0 3 473.687 3.811 20 0 JHADHN CCc1ccc([C@@H](Cn2c(CNC(=O)c3cccs3)nnc2N2CCC[C@@H](OC)C2)N(C)C)cc1 ZINC001305922027 1068217637 /nfs/dbraw/zinc/21/76/37/1068217637.db2.gz YAPSTYSYYQJTCD-FGZHOGPDSA-N 0 3 496.681 3.750 20 0 JHADHN CCc1ccc(-c2nnc(N3CC(=O)N(C)[C@@H](C)C3)n2C[C@H](c2ccco2)N(CC)CC)cc1 ZINC001305926658 1068223337 /nfs/dbraw/zinc/22/33/37/1068223337.db2.gz KEKFCWHTOFUJIC-SIKLNZKXSA-N 0 3 464.614 3.851 20 0 JHADHN CCc1ccc(-c2nnc(N3CCS(=O)(=O)C4(CCCCC4)C3)n2CCN(C)C(C)C)cc1 ZINC001305951021 1068274803 /nfs/dbraw/zinc/27/48/03/1068274803.db2.gz LPLMZFYHXKLXKE-UHFFFAOYSA-N 0 3 473.687 3.785 20 0 JHADHN CCc1ccc([C@H]2CN(c3nnc(C(=O)NC(CC)CC)n3CCN3CCC[C@@H]3C)CCO2)cc1 ZINC001305953166 1068278649 /nfs/dbraw/zinc/27/86/49/1068278649.db2.gz GBULWDIKTKPAGR-GBXCKJPGSA-N 0 3 482.673 3.821 20 0 JHADHN CCc1ccc(CCn2c(CC(C)(C)C)nnc2N2CC[C@@H](N3CCN(CC)CC3)C2)cc1 ZINC001305958508 1068288342 /nfs/dbraw/zinc/28/83/42/1068288342.db2.gz HVQBLESTPRCTBY-XMMPIXPASA-N 0 3 452.691 3.888 20 0 JHADHN CCc1ccc(CCn2c(C3CCCC3)nnc2N2CCN(C(=O)CN(CC)CC)CC2)cc1 ZINC001305959740 1068290872 /nfs/dbraw/zinc/29/08/72/1068290872.db2.gz RAURVKYVXNUXSQ-UHFFFAOYSA-N 0 3 466.674 3.731 20 0 JHADHN CCc1ccccc1OCc1nnc(N2CCN(CC(C)C)CC2)n1C[C@@H]1CCOC[C@@H]1C ZINC001305985471 1068335340 /nfs/dbraw/zinc/33/53/40/1068335340.db2.gz KALLPYJHDUECGP-GMAHTHKFSA-N 0 3 455.647 3.870 20 0 JHADHN CCc1csc([C@H]2CCCN(c3nnc(CC(C)C)n3CCN3CCN(C)C(C)(C)C3)C2)n1 ZINC001305999878 1068368911 /nfs/dbraw/zinc/36/89/11/1068368911.db2.gz GLNGUJMGHXLKQN-FQEVSTJZSA-N 0 3 473.735 3.906 20 0 JHADHN CCc1nnc(N2CCC([C@](C)(O)C(F)(F)F)CC2)n1C[C@H](c1ccc(F)cc1)N(C)C ZINC001306121385 1068530050 /nfs/dbraw/zinc/53/00/50/1068530050.db2.gz JYLOMMVAYFJBPL-NQIIRXRSSA-N 0 3 457.516 3.812 20 0 JHADHN CCc1nnc(N2CCC[C@H](c3nc(C(C)C)cs3)C2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001306161287 1068557299 /nfs/dbraw/zinc/55/72/99/1068557299.db2.gz IFXOGSZJZIRDMB-PZJWPPBQSA-N 0 3 487.718 3.747 20 0 JHADHN CCc1nnc(N2CCN(CC(C)C)CC2)n1CCc1ccc(OC)c(Br)c1 ZINC001306203456 1068593457 /nfs/dbraw/zinc/59/34/57/1068593457.db2.gz CHPCEDAPLWSIHQ-UHFFFAOYSA-N 0 3 450.425 3.632 20 0 JHADHN CCc1nsc(N2CCN(c3nnc(C(C)(C)C)n3C[C@H](c3cccc(F)c3)N(C)C)CC2)n1 ZINC001306241032 1068642463 /nfs/dbraw/zinc/64/24/63/1068642463.db2.gz PBKRNEHGBFHJDD-LJQANCHMSA-N 0 3 486.665 3.758 20 0 JHADHN CCc1nsc(N2CCN(c3nnc(C(C)(C)C)n3C[C@@H](c3cccc(F)c3)N(C)C)CC2)n1 ZINC001306241030 1068642512 /nfs/dbraw/zinc/64/25/12/1068642512.db2.gz PBKRNEHGBFHJDD-IBGZPJMESA-N 0 3 486.665 3.758 20 0 JHADHN CC[C@@H]1CCCCN1CCn1c(-c2cccc(Cl)c2)nnc1N(C)CCS(=O)(=O)CC ZINC001306316837 1068736885 /nfs/dbraw/zinc/73/68/85/1068736885.db2.gz HCKQXZRPCIBHOO-HXUWFJFHSA-N 0 3 468.067 3.734 20 0 JHADHN CC[C@@H]1CCCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H]2CCCN2CCCO)C1 ZINC001306325284 1068761931 /nfs/dbraw/zinc/76/19/31/1068761931.db2.gz MSIAEXNENHNSTD-GGAORHGYSA-N 0 3 468.646 3.620 20 0 JHADHN CC[C@H]1CCCN(c2nnc(CCOc3ccccc3)n2CCN2CCN(C)C(C)(C)C2)C1 ZINC001306338239 1068775175 /nfs/dbraw/zinc/77/51/75/1068775175.db2.gz MUWVFNADKWQTKL-QFIPXVFZSA-N 0 3 454.663 3.552 20 0 JHADHN C[C@@H](CNC(=O)c1cnn(-c2ncccc2Cl)c1C(F)(F)C(F)(F)F)N1CCCC1 ZINC001306353900 1068789416 /nfs/dbraw/zinc/78/94/16/1068789416.db2.gz IKSNZQKUCXIXFH-NSHDSACASA-N 0 3 451.827 3.789 20 0 JHADHN CC[C@@H]1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCN2CCN(C)C(C)(C)C2)C1 ZINC001306383806 1068816315 /nfs/dbraw/zinc/81/63/15/1068816315.db2.gz URBRMPOLZRSVLT-JOCHJYFZSA-N 0 3 454.663 3.736 20 0 JHADHN CC[C@@H]1CN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H]2N(C)CCCC2(C)C)CCO1 ZINC001306391189 1068831463 /nfs/dbraw/zinc/83/14/63/1068831463.db2.gz LCAUPJOAJBCINF-FGZHOGPDSA-N 0 3 468.646 3.883 20 0 JHADHN CC[C@@H]1CN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCCN2CCN(CC)CC2)C[C@H](C)O1 ZINC001306396543 1068844872 /nfs/dbraw/zinc/84/48/72/1068844872.db2.gz WDCZUZPXNJLACI-QNWVGRARSA-N 0 3 488.652 3.589 20 0 JHADHN COCCCS(=O)(=O)c1ccc(NC(=O)N(Cc2ccccc2)C2CCN(C)CC2)cc1 ZINC001310511879 1068994019 /nfs/dbraw/zinc/99/40/19/1068994019.db2.gz ZCHWYEWJIUGMES-UHFFFAOYSA-N 0 3 459.612 3.625 20 0 JHADHN CC[C@H]1CN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@@H](c2ccc(C)cc2)N(C)C)CCS1 ZINC001306466643 1069005897 /nfs/dbraw/zinc/00/58/97/1069005897.db2.gz OBEJUJDNDMNYGR-MLCQCVOFSA-N 0 3 473.687 3.945 20 0 JHADHN CCN1CCN(c2cccc(NC(=O)NCCCc3nnc(SC)n3CC(C)C)c2)CC1 ZINC001310595743 1069039327 /nfs/dbraw/zinc/03/93/27/1069039327.db2.gz BQAVPZPJRMHFJW-UHFFFAOYSA-N 0 3 459.664 3.552 20 0 JHADHN CCN1CCN(c2cccc(NC(=O)N3C[C@H]4CCC[C@@]4(NC(=O)OC(C)(C)C)C3)c2)CC1 ZINC001310596993 1069040454 /nfs/dbraw/zinc/04/04/54/1069040454.db2.gz PIGCMYBVVLLLAH-KBMIEXCESA-N 0 3 457.619 3.740 20 0 JHADHN CCN1CCN(c2cccc(NC(=O)N3CCC[C@H]4[C@@H]3CCN4C(=O)OC(C)(C)C)c2)CC1 ZINC001310598225 1069041957 /nfs/dbraw/zinc/04/19/57/1069041957.db2.gz WKUUSQXYTWCTDV-VXKWHMMOSA-N 0 3 457.619 3.834 20 0 JHADHN CN1CCN(CCC(C)(C)NC(=O)Nc2cc(Cl)ccc2OC[C@@H]2CCCCO2)CC1 ZINC001310600061 1069044415 /nfs/dbraw/zinc/04/44/15/1069044415.db2.gz FLZDBYUUUMLFDP-IBGZPJMESA-N 0 3 453.027 3.826 20 0 JHADHN CCCC(=O)NC1CCN(c2nnc(-c3ccc(CC)cc3)n2CCN2CC=CCC2)CC1 ZINC001306509026 1069097693 /nfs/dbraw/zinc/09/76/93/1069097693.db2.gz KAXGPCYDAHYKLT-UHFFFAOYSA-N 0 3 450.631 3.655 20 0 JHADHN Cc1c(NC(=O)NC[C@H]2CCCN2Cc2ccccc2)nnn1CCOc1ccc(F)cc1 ZINC001310724998 1069136873 /nfs/dbraw/zinc/13/68/73/1069136873.db2.gz BUESQVZPJSMHNN-OAQYLSRUSA-N 0 3 452.534 3.591 20 0 JHADHN CCC[C@](C)(O)Cn1c([C@@H](CC)c2ccccc2)nnc1N1CC[C@@H](N2CCN(CC)CC2)C1 ZINC001306526395 1069155145 /nfs/dbraw/zinc/15/51/45/1069155145.db2.gz JUHKWUMYHDQVHJ-DXBVXKBHSA-N 0 3 468.690 3.587 20 0 JHADHN CCC[C@](C)(O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C2CCCC2)CC1 ZINC001306531691 1069172431 /nfs/dbraw/zinc/17/24/31/1069172431.db2.gz UGOYRENKYJWCGS-VWLOTQADSA-N 0 3 457.619 3.578 20 0 JHADHN CCC[C@](C)(O)Cn1c(-c2ccccc2Cl)nnc1N(C)C1CCN(CCn2cccn2)CC1 ZINC001306532999 1069175493 /nfs/dbraw/zinc/17/54/93/1069175493.db2.gz RTRPLLSKDKJJGF-VWLOTQADSA-N 0 3 486.064 3.947 20 0 JHADHN C[C@H](NC(=O)NCC1(NC(=O)OC(C)(C)C)CCN(Cc2ccccc2)CC1)C(F)(F)F ZINC001310909728 1069218665 /nfs/dbraw/zinc/21/86/65/1069218665.db2.gz BYCHPJUPSSTALU-INIZCTEOSA-N 0 3 458.525 3.796 20 0 JHADHN CCC[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@@H](c1ccsc1)N(C)C ZINC001306572371 1069240055 /nfs/dbraw/zinc/24/00/55/1069240055.db2.gz BVUMTSBQEPDRNW-UWJYYQICSA-N 0 3 465.631 3.910 20 0 JHADHN CC(C)CCc1nnc(NC(=O)N2CCC[C@@H](CN3CCN(c4ccccn4)CC3)C2)s1 ZINC001310992306 1069243420 /nfs/dbraw/zinc/24/34/20/1069243420.db2.gz XVQHEXJMMIHJDM-IBGZPJMESA-N 0 3 457.648 3.588 20 0 JHADHN CCCc1nc(C)c(Cn2c(CC(C)(C)C)nnc2N2C[C@@H](C)[C@@H](N3CCCN(C(C)=O)CC3)C2)o1 ZINC001306612478 1069290743 /nfs/dbraw/zinc/29/07/43/1069290743.db2.gz QZNGFWIGNVNDMV-KNQAVFIVSA-N 0 3 499.704 3.543 20 0 JHADHN CCC[C@@H]1CN(c2nnc(-c3cc(F)ccc3Br)n2C[C@H](C)OC)CCN1CCOC ZINC001306616565 1069298395 /nfs/dbraw/zinc/29/83/95/1069298395.db2.gz IDKZXJMOKWEKMR-FUHWJXTLSA-N 0 3 498.441 3.819 20 0 JHADHN CCC[C@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2Cc2snnc2C)CCN1CCOC ZINC001306617805 1069300295 /nfs/dbraw/zinc/30/02/95/1069300295.db2.gz BLRPVACRBONROF-KRWDZBQOSA-N 0 3 494.040 3.883 20 0 JHADHN CCOc1nc2cc(NC(=O)NC3CCN(Cc4ccc(NC(C)=O)cc4)CC3)ccc2o1 ZINC001311222957 1069301720 /nfs/dbraw/zinc/30/17/20/1069301720.db2.gz ZMCPZPBBIDGXDT-UHFFFAOYSA-N 0 3 451.527 3.971 20 0 JHADHN CCC[C@@H]1CN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@@]2(C)COCCO2)CCN1CCOC ZINC001306618617 1069302192 /nfs/dbraw/zinc/30/21/92/1069302192.db2.gz GFYBWFQBGPKEBC-YWEHKCAJSA-N 0 3 499.700 3.985 20 0 JHADHN CCC[C@H]1CN(c2nnc(-c3cnccn3)n2C[C@H](C)c2ccc(F)cc2)CCN1CCOC ZINC001306619467 1069303715 /nfs/dbraw/zinc/30/37/15/1069303715.db2.gz BEZMDFMMCLLAOS-UGKGYDQZSA-N 0 3 467.593 3.615 20 0 JHADHN CCC[C@H]1CN(c2nnc(C(C)C)n2Cc2cccc3c2OCCCO3)CCN1CCOC ZINC001306620360 1069306747 /nfs/dbraw/zinc/30/67/47/1069306747.db2.gz YIQOOWIVZSSJSS-NRFANRHFSA-N 0 3 457.619 3.548 20 0 JHADHN CCC[C@@H]1CN(c2nnc(-c3ccc(Br)s3)n2C[C@H]2CCCO2)CCN1CCOC ZINC001306621067 1069308066 /nfs/dbraw/zinc/30/80/66/1069308066.db2.gz VVRFZQVMKYGZGB-IAGOWNOFSA-N 0 3 498.491 3.885 20 0 JHADHN CCC[C@H]1CN(c2nnc(-c3ccc(C)o3)n2Cc2ccc(OC)cc2)CCN1CCOC ZINC001306620858 1069308400 /nfs/dbraw/zinc/30/84/00/1069308400.db2.gz SJGIUOQSZNSXAP-NRFANRHFSA-N 0 3 453.587 3.841 20 0 JHADHN CCOC(=O)[C@]12C[C@H]1CCN2c1c2c(cnc1Cl)C1(CCN(Cc3ccccc3)CC1)OC2=O ZINC001164619313 719040986 /nfs/dbraw/zinc/04/09/86/719040986.db2.gz CMRUVGACTGIODE-DWXRJYCRSA-N 0 3 481.980 3.929 20 0 JHADHN CCOC(=O)c1c[nH]c2ncnc(N3CCC4(CC3)c3ncc(-c5ccccc5)n3CCN4CC)c12 ZINC001164664181 719347920 /nfs/dbraw/zinc/34/79/20/719347920.db2.gz SYBLRKFOKMHLMO-UHFFFAOYSA-N 0 3 485.592 3.829 20 0 JHADHN COC[C@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)c1cc(Cl)nc(=S)[n-]1)CC2 ZINC001164712155 720134591 /nfs/dbraw/zinc/13/45/91/720134591.db2.gz KOLTUQBSPUBHNC-MRXNPFEDSA-N 0 3 469.989 3.866 20 0 JHADHN COC[C@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(C(F)(F)c1cc(Cl)nc(=S)[n-]1)CC2 ZINC001164712155 720134609 /nfs/dbraw/zinc/13/46/09/720134609.db2.gz KOLTUQBSPUBHNC-MRXNPFEDSA-N 0 3 469.989 3.866 20 0 JHADHN c1ccc(-c2cc(-c3ccccc3)nc(N3CCN4C[C@H](Oc5cncnc5)C[C@@H]4C3)n2)cc1 ZINC001164738963 720663910 /nfs/dbraw/zinc/66/39/10/720663910.db2.gz LQRJLFGFLWYPFB-DHIUTWEWSA-N 0 3 450.546 3.943 20 0 JHADHN Clc1nc2c(c(N3CCCn4cnc(CNC5CCC5)c4C3)n1)CN(Cc1ccccc1)C2 ZINC001164836902 720736912 /nfs/dbraw/zinc/73/69/12/720736912.db2.gz IGBONGQVKOMLKM-UHFFFAOYSA-N 0 3 464.017 3.895 20 0 JHADHN Cc1nc2scc(-c3cccs3)c2c(N2CCN3C[C@H](Oc4cncnc4)C[C@H]3C2)n1 ZINC001164741156 720763903 /nfs/dbraw/zinc/76/39/03/720763903.db2.gz MKMQIAQQZWRDRM-JKSUJKDBSA-N 0 3 450.593 3.860 20 0 JHADHN CSCc1nc2sc3c(c2c(N2CCN4C[C@@H](Oc5cncnc5)C[C@@H]4C2)n1)CCCC3 ZINC001164742226 720764490 /nfs/dbraw/zinc/76/44/90/720764490.db2.gz NRMNSHUWLASROT-CVEARBPZSA-N 0 3 468.652 3.565 20 0 JHADHN Clc1cccc(-c2nc3c(c(N4CCN5C[C@H](Oc6cncnc6)C[C@@H]5C4)n2)CCCC3)c1 ZINC001164742178 720785178 /nfs/dbraw/zinc/78/51/78/720785178.db2.gz CKHGQUADRFPAAI-WOJBJXKFSA-N 0 3 462.985 3.808 20 0 JHADHN CC(C)N(C)Cc1cnc2n1CCN(c1ccc(S(=O)(=O)Nc3cc(F)ccc3F)cn1)[C@@H]2C ZINC001164858835 721010927 /nfs/dbraw/zinc/01/09/27/721010927.db2.gz HSNZLQUPDXNCGZ-MRXNPFEDSA-N 0 3 490.580 3.779 20 0 JHADHN O=C(NCc1ccccc1)c1cc(Cl)nc(N2CCN3C[C@H](OCc4cccnc4)C[C@@H]3C2)c1 ZINC001164868370 721062264 /nfs/dbraw/zinc/06/22/64/721062264.db2.gz OFTGRRDMJKYIRY-DHIUTWEWSA-N 0 3 477.996 3.540 20 0 JHADHN c1csc(-c2noc(-c3ccnc(N4CCN5C[C@H](OCc6cccnc6)C[C@@H]5C4)c3)n2)c1 ZINC001164881202 721166645 /nfs/dbraw/zinc/16/66/45/721166645.db2.gz ZUPQVORAJKDBGA-WOJBJXKFSA-N 0 3 460.563 3.735 20 0 JHADHN Cn1cc(CN2CC[C@@H]3CN(c4ccc(C(=O)Nc5cccc(Cl)c5)cn4)C[C@@H]3C2)cn1 ZINC001164771423 721202697 /nfs/dbraw/zinc/20/26/97/721202697.db2.gz POZJAIDFZLKYCX-UXHICEINSA-N 0 3 450.974 3.679 20 0 JHADHN Cn1cc(CN2CC[C@H]3CN(c4ccc(-c5ccc(N6CCCCC6)cc5)nn4)C[C@H]3C2)cn1 ZINC001164767664 721226803 /nfs/dbraw/zinc/22/68/03/721226803.db2.gz KJAXZQJDJPOQQL-BJKOFHAPSA-N 0 3 457.626 3.826 20 0 JHADHN CCOC(Cc1c(Cl)ncnc1N1CCN2C[C@H](Oc3cccc(F)c3)C[C@H]2C1)OCC ZINC001164905211 721534285 /nfs/dbraw/zinc/53/42/85/721534285.db2.gz GQGWJOKSKOERPN-PKOBYXMFSA-N 0 3 464.969 3.553 20 0 JHADHN CN(C)C(=O)c1cc2cnc(N3CCN4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)nc2n1C1CCCC1 ZINC001164908828 721534434 /nfs/dbraw/zinc/53/44/34/721534434.db2.gz QRZPRYBEYMGEHM-GGAORHGYSA-N 0 3 492.599 3.729 20 0 JHADHN Fc1cccc(O[C@@H]2C[C@@H]3CN(c4ccc(-c5ccc6c(c5)OCCCO6)nn4)CCN3C2)c1 ZINC001164905896 721558383 /nfs/dbraw/zinc/55/83/83/721558383.db2.gz HXRGBDUUSSXIGD-IFMALSPDSA-N 0 3 462.525 3.786 20 0 JHADHN CCOC(=O)c1cnc2cc(N(C)C3CCN(Cc4c(OC)cccc4OC)CC3)[nH]cc1-2 ZINC001165022690 721843075 /nfs/dbraw/zinc/84/30/75/721843075.db2.gz SEKNBEALRJKIRY-UHFFFAOYSA-N 0 3 452.555 3.858 20 0 JHADHN COC(=O)c1ccc(C(F)(F)N2CCC3(CC2)COCCN(Cc2ccncc2)C3)c(Cl)n1 ZINC001164962982 722055969 /nfs/dbraw/zinc/05/59/69/722055969.db2.gz GKWUZUJDILLMFY-UHFFFAOYSA-N 0 3 480.943 3.581 20 0 JHADHN c1cn(Cc2ccccc2)c2ncnc(N3CCC4(CC3)COCCN(Cc3ccncc3)C4)c12 ZINC001164964817 722056632 /nfs/dbraw/zinc/05/66/32/722056632.db2.gz XZHPGCUOHGDTSI-UHFFFAOYSA-N 0 3 468.605 3.994 20 0 JHADHN FC(F)(c1ccc2ncc(Cl)nc2c1)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164976411 722106179 /nfs/dbraw/zinc/10/61/79/722106179.db2.gz CUWHXCJXECEILL-UWJYYQICSA-N 0 3 459.928 3.950 20 0 JHADHN CCOC(=O)c1sc2nc(C)nc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)c2c1C ZINC001164976014 722138737 /nfs/dbraw/zinc/13/87/37/722138737.db2.gz GIGYJTKXSGVWDN-UXHICEINSA-N 0 3 481.622 3.607 20 0 JHADHN Clc1ccc(OC(Cl)(Cl)N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)cn1 ZINC001164971312 722158254 /nfs/dbraw/zinc/15/82/54/722158254.db2.gz BSFLAEXSGGXVFB-AEFFLSMTSA-N 0 3 457.789 3.821 20 0 JHADHN CCC[C@@H]1CN(c2nnc(-c3ccc(OCC)c(OC)c3)n2CCN2CC=CCC2)CCO1 ZINC001306622289 1069312108 /nfs/dbraw/zinc/31/21/08/1069312108.db2.gz JOBTZPNRGDJPCH-OAQYLSRUSA-N 0 3 455.603 3.620 20 0 JHADHN CCC[C@H]1CN(c2nnc(-c3cccc(C)n3)n2Cc2cccc(N(C)C)c2)CCN1CCOC ZINC001306622402 1069312175 /nfs/dbraw/zinc/31/21/75/1069312175.db2.gz BFFWOYOZEPRUHF-DEOSSOPVSA-N 0 3 477.657 3.700 20 0 JHADHN CCC[C@H]1CN(c2nnc(-c3cnccn3)n2CCc2ccc(Cl)s2)CCN1CCOC ZINC001306622928 1069313238 /nfs/dbraw/zinc/31/32/38/1069313238.db2.gz GAFVPKPZUUGUNR-KRWDZBQOSA-N 0 3 476.050 3.630 20 0 JHADHN CCC[C@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2Cc2ccc(F)cn2)CCN1CCOC ZINC001306624058 1069316818 /nfs/dbraw/zinc/31/68/18/1069316818.db2.gz XLTNIRIZGZZZJH-FQEVSTJZSA-N 0 3 473.984 3.513 20 0 JHADHN CCC[C@@H]1CN(c2nnc(Cc3cccnc3)n2CC(C)(C)C(F)(F)F)CCN1CCOC ZINC001306627585 1069324535 /nfs/dbraw/zinc/32/45/35/1069324535.db2.gz FTNZKPSKSKAMQL-LJQANCHMSA-N 0 3 468.568 3.790 20 0 JHADHN CCC[C@@H]1CN(c2nnc(CNC(=O)c3cccs3)n2C[C@H](c2cccs2)N(C)C)CCO1 ZINC001306631899 1069332442 /nfs/dbraw/zinc/33/24/42/1069332442.db2.gz VXBBEJKFWJUYRT-QZTJIDSGSA-N 0 3 488.683 3.639 20 0 JHADHN CCC[C@H]1CN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@@H](C)N2CCN(CC)CC2)CCO1 ZINC001306632081 1069333493 /nfs/dbraw/zinc/33/34/93/1069333493.db2.gz JMEMUWYIICCSGD-NOZRDPDXSA-N 0 3 484.689 3.505 20 0 JHADHN O=C(NC1CCN(CCOc2ccc(Br)cc2)CC1)[C@@H]1CCCc2cccnc21 ZINC001306633194 1069335525 /nfs/dbraw/zinc/33/55/25/1069335525.db2.gz KTHCONYPNVADFO-OAQYLSRUSA-N 0 3 458.400 3.924 20 0 JHADHN CCN1CCN(Cc2ccc(CNC(=O)NC[C@@H](O)c3cc4ccccc4s3)cc2)CC1 ZINC001311358244 1069341953 /nfs/dbraw/zinc/34/19/53/1069341953.db2.gz QSTYSEVEJYTEFR-JOCHJYFZSA-N 0 3 452.624 3.572 20 0 JHADHN CCN1CCN(Cc2ccccc2CNC(=O)N[C@H](C[C@@H]2CCOC2)c2ccccc2)CC1 ZINC001311357874 1069342246 /nfs/dbraw/zinc/34/22/46/1069342246.db2.gz NRBCLMCSVAVIEX-BKMJKUGQSA-N 0 3 450.627 3.791 20 0 JHADHN CCC[C@H]1CN(c2nnc(-c3ccccc3Cl)n2CC2CCOCC2)CCN1CCOC ZINC001306642296 1069353778 /nfs/dbraw/zinc/35/37/78/1069353778.db2.gz ICPCZXNLFVJBJR-FQEVSTJZSA-N 0 3 462.038 3.962 20 0 JHADHN CCN(CC)[C@@H](CNC(=O)N1CCn2c(CCc3ccccc3)nnc2C1)c1ccsc1 ZINC001311395210 1069360422 /nfs/dbraw/zinc/36/04/22/1069360422.db2.gz LMKNATSJGFSQCV-NRFANRHFSA-N 0 3 452.628 3.733 20 0 JHADHN CC[C@@H](CNC(=O)N[C@@H](c1nccn1C)c1ccc(F)cc1F)N1CCc2ccccc2C1 ZINC001311393971 1069359553 /nfs/dbraw/zinc/35/95/53/1069359553.db2.gz DZUSCLUAPQIPJH-NZQKXSOJSA-N 0 3 453.537 3.924 20 0 JHADHN CCCCCn1c(COc2ccccc2F)nnc1N1C[C@H](N2CCCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001306655104 1069367085 /nfs/dbraw/zinc/36/70/85/1069367085.db2.gz 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CCCCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@H](c2cccs2)N(C)C)CC1 ZINC001306749114 1069540626 /nfs/dbraw/zinc/54/06/26/1069540626.db2.gz PEABSHQBVGPXKM-WOJBJXKFSA-N 0 3 474.675 3.627 20 0 JHADHN CCCCOc1ncccc1Cn1c(Cc2ccncc2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001306754912 1069551292 /nfs/dbraw/zinc/55/12/92/1069551292.db2.gz KDVWMVMPXURQKT-UHFFFAOYSA-N 0 3 463.630 3.807 20 0 JHADHN COc1ccccc1N1CC[C@H](CNC(=O)NC[C@H](c2ccc(OC(C)C)cc2)N(C)C)C1 ZINC001311827922 1069564913 /nfs/dbraw/zinc/56/49/13/1069564913.db2.gz DYMJJCXRQKYBKR-HYBUGGRVSA-N 0 3 454.615 3.911 20 0 JHADHN O=C(NCC1CCN(Cc2ccncc2)CC1)NCC1(c2ccccc2Cl)CCOCC1 ZINC001311873539 1069590647 /nfs/dbraw/zinc/59/06/47/1069590647.db2.gz HESDBGRUSYHIRH-UHFFFAOYSA-N 0 3 457.018 3.995 20 0 JHADHN COc1ccccc1SC[C@H](C)CNC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC001311917584 1069612234 /nfs/dbraw/zinc/61/22/34/1069612234.db2.gz JYCPZDALPNLCPB-BAGYTPMASA-N 0 3 457.640 3.606 20 0 JHADHN CCOc1c(OC)cc(Cn2c(-c3cccnc3)nnc2N2CCN(C(C)(C)C)CC2)cc1OC ZINC001314157964 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HQFKKTZQUVRDAZ-RXVVDRJESA-N 0 3 459.612 3.686 20 0 JHADHN CN(C)CCN(Cc1ccc(F)cc1)C(=O)N[C@@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C ZINC001312017425 1069673507 /nfs/dbraw/zinc/67/35/07/1069673507.db2.gz KTUQFVDALQGGHR-TZIWHRDSSA-N 0 3 450.599 3.982 20 0 JHADHN CN(C)C(=O)[C@@H]1CCC[C@H](NC(=O)N(CCN(C)Cc2ccccc2)Cc2ccccc2)C1 ZINC001312027767 1069683091 /nfs/dbraw/zinc/68/30/91/1069683091.db2.gz WAZULZVXXBJJMI-RPBOFIJWSA-N 0 3 450.627 3.977 20 0 JHADHN C[C@@H]1CN(C(=O)N[C@@H](COCc2ccccc2)c2ccccc2)CC[C@H]1N1CCN(C)CC1 ZINC001312044861 1069690264 /nfs/dbraw/zinc/69/02/64/1069690264.db2.gz NFHZNZLPBQIJGB-ZSQFBXSQSA-N 0 3 450.627 3.612 20 0 JHADHN CCOc1ccc(-c2nnc(N3CCN(CC(C)C)CC3)n2C[C@H]2OCC[C@H]2C)cc1OC ZINC001314176910 1069708531 /nfs/dbraw/zinc/70/85/31/1069708531.db2.gz OAWAZAQWCLKOTE-AUSIDOKSSA-N 0 3 457.619 3.555 20 0 JHADHN CCOc1ccc(-c2nnc(N3CC[C@H](N4CCN(CC)CC4)C3)n2CCC(C)C)cc1OC ZINC001314177289 1069710456 /nfs/dbraw/zinc/71/04/56/1069710456.db2.gz PKUBDVOYXVSMFU-QFIPXVFZSA-N 0 3 470.662 3.615 20 0 JHADHN CCOc1ccc(-c2nnc(N3CCN(C(C)(C)C)CC3)n2Cc2ncnn2C(C)(C)C)cc1OC ZINC001314177403 1069711167 /nfs/dbraw/zinc/71/11/67/1069711167.db2.gz QVRYXEPWKBIHEC-UHFFFAOYSA-N 0 3 496.660 3.668 20 0 JHADHN CCOc1ccc(Cn2c(CC(C)(C)C)nnc2N2CCN(C3CCOCC3)CC2)cc1OC ZINC001314190385 1069749489 /nfs/dbraw/zinc/74/94/89/1069749489.db2.gz SNLKZBOQNGZVON-UHFFFAOYSA-N 0 3 471.646 3.623 20 0 JHADHN CC(C)[C@@H]1CN(C(=O)NCC2(CN3CCOCC3)CCCCC2)CCN1Cc1ccccc1 ZINC001312176977 1069766818 /nfs/dbraw/zinc/76/68/18/1069766818.db2.gz DVCSKAXPTCWJGU-VWLOTQADSA-N 0 3 456.675 3.821 20 0 JHADHN CCCN1CC[C@@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2cccc(C(F)(F)F)c2)C1 ZINC001307043385 1069774588 /nfs/dbraw/zinc/77/45/88/1069774588.db2.gz JWCFFYHYMQYMPZ-MOPGFXCFSA-N 0 3 499.603 3.567 20 0 JHADHN O=C(NCc1ccccc1CN1CCC(O)CC1)N(CCCO)[C@@H]1CCCc2ccccc21 ZINC001312203666 1069779002 /nfs/dbraw/zinc/77/90/02/1069779002.db2.gz DRNMVGMCRXXLLS-AREMUKBSSA-N 0 3 451.611 3.615 20 0 JHADHN CN(C(=O)NCc1ccccc1CN1CCC(O)CC1)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC001312205744 1069781462 /nfs/dbraw/zinc/78/14/62/1069781462.db2.gz MXGHIRWUGFZPDV-NOZRDPDXSA-N 0 3 455.574 3.844 20 0 JHADHN CCCN1CCC(N(C)c2nnc(COc3ccc(F)cc3)n2CC[S@](=O)C(C)(C)C)CC1 ZINC001307051689 1069804874 /nfs/dbraw/zinc/80/48/74/1069804874.db2.gz RYEDVNNMIZKRFM-XIFFEERXSA-N 0 3 479.666 3.854 20 0 JHADHN C[C@@H]1C[C@@H](NC(=O)N2CCC(C(=O)NCc3ccc(F)cc3)CC2)CN1Cc1ccccc1 ZINC001312249718 1069808431 /nfs/dbraw/zinc/80/84/31/1069808431.db2.gz ABSNFYAZQNVSGL-NTKDMRAZSA-N 0 3 452.574 3.527 20 0 JHADHN CCCN1CCCC[C@H]1Cn1c(-c2ccccc2C)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 ZINC001307057049 1069831704 /nfs/dbraw/zinc/83/17/04/1069831704.db2.gz VCSXQRMMERAZCE-FCHUYYIVSA-N 0 3 473.687 3.922 20 0 JHADHN CCOc1cccc(N2CCN(c3nnc(C(C)C)n3CCN(C)Cc3ccccc3)CC2)n1 ZINC001314210890 1069833721 /nfs/dbraw/zinc/83/37/21/1069833721.db2.gz DIRKFZNVCZVQGM-UHFFFAOYSA-N 0 3 463.630 3.654 20 0 JHADHN CC(C)Oc1ccc([C@@H](CNC(=O)N[C@@H]2CCCN(c3ccccc3F)C2=O)N(C)C)cc1 ZINC001312308867 1069852397 /nfs/dbraw/zinc/85/23/97/1069852397.db2.gz DOMSBRXMBKYJPD-FYYLOGMGSA-N 0 3 456.562 3.710 20 0 JHADHN CC(C)Oc1ccc([C@@H](CNC(=O)N[C@H]2CCCN(c3ccccc3F)C2=O)N(C)C)cc1 ZINC001312308870 1069853437 /nfs/dbraw/zinc/85/34/37/1069853437.db2.gz DOMSBRXMBKYJPD-JTHBVZDNSA-N 0 3 456.562 3.710 20 0 JHADHN COc1ccccc1[C@H](NC(=O)N(C)C1CCN(CCc2ccccn2)CC1)c1ccccn1 ZINC001312434123 1069934766 /nfs/dbraw/zinc/93/47/66/1069934766.db2.gz JVQJMHNEUFOTFH-SANMLTNESA-N 0 3 459.594 3.923 20 0 JHADHN C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N1CCC2(C1)CCN(C(=O)OC(C)(C)C)CC2 ZINC001312457372 1069950821 /nfs/dbraw/zinc/95/08/21/1069950821.db2.gz UAEWCAFEGSTOJP-RBBKRZOGSA-N 0 3 456.631 3.940 20 0 JHADHN CCOC(=O)c1c(NC(=O)Cn2c(CC)csc2=O)sc2c1CC(C)(C)NC2(C)C ZINC001307344498 1069957104 /nfs/dbraw/zinc/95/71/04/1069957104.db2.gz IHPFROBSEIPORP-UHFFFAOYSA-N 0 3 451.614 3.509 20 0 JHADHN CCO[C@@H]1C[C@@H](N(C)c2nnc(C3CCCC3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)C1(C)C ZINC001314256050 1069991587 /nfs/dbraw/zinc/99/15/87/1069991587.db2.gz WWNSESFSUZKBPX-YPAWHYETSA-N 0 3 474.694 3.518 20 0 JHADHN CCO[C@@H]1C[C@H](NC(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)[C@H]1Oc1ccccc1 ZINC001312540345 1070002454 /nfs/dbraw/zinc/00/24/54/1070002454.db2.gz UXBJMAYFHGGEKS-JEJBDDBXSA-N 0 3 455.521 3.716 20 0 JHADHN CCN(C[C@H]1CCN(CC(=O)Nc2ccc3nc(C(F)(F)F)[nH]c3c2)C1)CC(F)(F)F ZINC001307519287 1070030608 /nfs/dbraw/zinc/03/06/08/1070030608.db2.gz MJPIJSKTPUXDIX-GFCCVEGCSA-N 0 3 451.415 3.726 20 0 JHADHN CCN(C[C@H]1CCN(CC(=O)N2CCC[C@@H]2c2ccc(OC)cc2OC)C1)CC(F)(F)F ZINC001307518243 1070031159 /nfs/dbraw/zinc/03/11/59/1070031159.db2.gz BKBKKVXWSCXRMA-YLJYHZDGSA-N 0 3 457.537 3.573 20 0 JHADHN CCOCC(C)(C)Cn1c(-c2cc(OC)cc(OC)c2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C ZINC001314280825 1070044951 /nfs/dbraw/zinc/04/49/51/1070044951.db2.gz ZPOLXLWVBATPDB-RTBURBONSA-N 0 3 459.635 3.944 20 0 JHADHN C[C@H]1Oc2ccc(C(=O)C3CCN(C[C@@H]4CCN(C(=O)OC(C)(C)C)C4)CC3)cc2NC1=O ZINC001307546835 1070046161 /nfs/dbraw/zinc/04/61/61/1070046161.db2.gz UFAXYWNQQREXBS-SJORKVTESA-N 0 3 457.571 3.558 20 0 JHADHN C[C@@H](CCc1ccc(I)cc1)NC(=O)NC[C@@H]1CCCCN1C1CC1 ZINC001312628317 1070051693 /nfs/dbraw/zinc/05/16/93/1070051693.db2.gz DKAPUKNBUOHFGD-KXBFYZLASA-N 0 3 455.384 3.928 20 0 JHADHN Cc1ccc(-c2noc([C@H](C)N3CCN(C(=O)NC[C@@H]4N(C)CCCC4(C)C)CC3)n2)cc1 ZINC001312647847 1070061690 /nfs/dbraw/zinc/06/16/90/1070061690.db2.gz HJLBDHKQYUWWJA-FPOVZHCZSA-N 0 3 454.619 3.554 20 0 JHADHN CCO[C@H](C)c1nc(CN2CCN(C(=O)N[C@@H](C)[C@H](c3ccccc3)N(C)C)CC2)cs1 ZINC001312657771 1070066442 /nfs/dbraw/zinc/06/64/42/1070066442.db2.gz NMMBAUYRILICQM-NNMXDRDESA-N 0 3 459.660 3.759 20 0 JHADHN CCOCC(C)(C)Cn1c(N2CCN(C3CCCCC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001314290069 1070069659 /nfs/dbraw/zinc/06/96/59/1070069659.db2.gz RFDHKEOJOWBEQN-AREMUKBSSA-N 0 3 477.694 3.836 20 0 JHADHN CCOCc1ccccc1Cn1c([C@H]2CCOC2)nnc1N1CCN(CCC(C)(C)C)CC1 ZINC001314292892 1070074076 /nfs/dbraw/zinc/07/40/76/1070074076.db2.gz JVNKVRDUHCISSJ-QHCPKHFHSA-N 0 3 455.647 3.925 20 0 JHADHN CC[C@H](C)N[C@@H](CNC(=O)N[C@](C)(CO)Cc1ccc(Br)cc1)c1ccco1 ZINC001312681071 1070079390 /nfs/dbraw/zinc/07/93/90/1070079390.db2.gz UPGYVJZAKYDTRT-XERREHJYSA-N 0 3 452.393 3.764 20 0 JHADHN C[C@H](Cc1cccc(O)c1)NC(=O)N1CCC(N2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC001312689338 1070083643 /nfs/dbraw/zinc/08/36/43/1070083643.db2.gz CAZHBDQHCKVLEM-LJQANCHMSA-N 0 3 457.018 3.973 20 0 JHADHN CCOCc1nnc(N2C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H](C)N1CCc2ccccc2C1 ZINC001314320955 1070106323 /nfs/dbraw/zinc/10/63/23/1070106323.db2.gz ZBFXKXPKLVRAIK-MIZPHKNDSA-N 0 3 498.672 3.611 20 0 JHADHN CCOCc1nnc(N2C[C@H](C)[C@H](NC(=O)OC(C)(C)C)C2)n1C[C@H](C)N1CCc2ccccc2C1 ZINC001314320957 1070106572 /nfs/dbraw/zinc/10/65/72/1070106572.db2.gz ZBFXKXPKLVRAIK-SXWKCWPCSA-N 0 3 498.672 3.611 20 0 JHADHN CCO[C@H]1C[C@](CO)(NC(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2c2cccc(F)c2)C1(C)C ZINC001312838438 1070148013 /nfs/dbraw/zinc/14/80/13/1070148013.db2.gz FKMCQROVZIXKLX-AALWMKDKSA-N 0 3 469.601 3.659 20 0 JHADHN COCC(C)(C)N1CCN(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2c2cccc(F)c2)CC1 ZINC001312838616 1070148204 /nfs/dbraw/zinc/14/82/04/1070148204.db2.gz GSFDXHLADYDRBO-LOSJGSFVSA-N 0 3 468.617 3.546 20 0 JHADHN Cc1cccc(OC[C@@H](O)CNC(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2c2cccc(F)c2)c1 ZINC001312841080 1070150367 /nfs/dbraw/zinc/15/03/67/1070150367.db2.gz YZHPKDXXFLUHBX-DOEKTCAHSA-N 0 3 477.580 3.841 20 0 JHADHN CCOCc1nnc(N2CC[C@H](N3CCN(C(C)C)CC3)C2)n1CCc1ccccc1C(F)(F)F ZINC001314347469 1070155272 /nfs/dbraw/zinc/15/52/72/1070155272.db2.gz OHZDFEYYGQKCBG-NRFANRHFSA-N 0 3 494.606 3.681 20 0 JHADHN CN(C)[C@H](CNC(=O)CN1CC(C)(C)N(C)c2cc(Br)ccc21)c1ccccc1 ZINC001307735158 1070157971 /nfs/dbraw/zinc/15/79/71/1070157971.db2.gz WMRSRVJLCKJESW-OAQYLSRUSA-N 0 3 459.432 3.903 20 0 JHADHN C[C@H](N[C@H]1C[C@@H](OC(C)(C)C)C1(C)C)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1 ZINC001307838309 1070206323 /nfs/dbraw/zinc/20/63/23/1070206323.db2.gz TXIBQBSWWIVQOU-DZFGPLHGSA-N 0 3 465.660 3.760 20 0 JHADHN CCOCc1nnc(N2CCC[C@H](Oc3ncccc3F)C2)n1C[C@H](c1ccccc1)N(C)C ZINC001314372731 1070209753 /nfs/dbraw/zinc/20/97/53/1070209753.db2.gz ZNTAXBVPYDSHAO-RBBKRZOGSA-N 0 3 468.577 3.699 20 0 JHADHN C[C@H](CN1CCOCC1)N(Cc1ccccc1)C(=O)NCc1ccc(Nc2ccncc2)cc1 ZINC001313085178 1070244884 /nfs/dbraw/zinc/24/48/84/1070244884.db2.gz NCDNSTFPQSWINU-JOCHJYFZSA-N 0 3 459.594 3.680 20 0 JHADHN CCOCc1nnc(N2CCN(C3CCOCC3)C[C@@H]2C)n1CCc1nc(C(C)(C)C)cs1 ZINC001314393562 1070250854 /nfs/dbraw/zinc/25/08/54/1070250854.db2.gz ALSRQLSTLDTCDT-SFHVURJKSA-N 0 3 476.691 3.501 20 0 JHADHN CCOCc1nnc(N2CCN(CCC(C)(C)C)CC2)n1CCCn1cnc2ccccc21 ZINC001314397448 1070257549 /nfs/dbraw/zinc/25/75/49/1070257549.db2.gz CCQLKPCRFVMYKH-UHFFFAOYSA-N 0 3 453.635 3.813 20 0 JHADHN COc1ccc(C(NCCN2CCN(C(=O)OC(C)(C)C)CC2)c2ccc(OC)cc2)cc1 ZINC001307992571 1070272838 /nfs/dbraw/zinc/27/28/38/1070272838.db2.gz XVEMVSLICVMNCV-UHFFFAOYSA-N 0 3 455.599 3.936 20 0 JHADHN COC[C@@H](NC[C@H](O)C1CCN(C(=O)OC(C)(C)C)CC1)c1cccc(Br)c1 ZINC001308019820 1070283011 /nfs/dbraw/zinc/28/30/11/1070283011.db2.gz NSPHYPIPAQAILX-MOPGFXCFSA-N 0 3 457.409 3.734 20 0 JHADHN CCOC(=O)C1C(CN[C@@H]2CC=CC[C@H]2C(F)(F)F)=NC(=O)N[C@H]1c1ccc(Cl)cc1 ZINC001308027554 1070284730 /nfs/dbraw/zinc/28/47/30/1070284730.db2.gz JMUWGHUMTNZDCT-RKVPGOIHSA-N 0 3 457.880 3.998 20 0 JHADHN Cc1ccc(CN2CC[C@H](NC(=O)N[C@@H](CO)c3ccc(Br)c(F)c3)C2)cc1 ZINC001313184035 1070285145 /nfs/dbraw/zinc/28/51/45/1070285145.db2.gz CULBVEZZJMGJKZ-PXNSSMCTSA-N 0 3 450.352 3.504 20 0 JHADHN COC(=O)c1cc(CN(Cc2ccccc2)CC2(O)CN(C(=O)OC(C)(C)C)C2)ccc1C ZINC001308048881 1070292581 /nfs/dbraw/zinc/29/25/81/1070292581.db2.gz XOWONNCHJZGWIP-UHFFFAOYSA-N 0 3 454.567 3.766 20 0 JHADHN NC(=O)c1ccc(NC(=O)CCN[C@@H]2CCOc3ccc(Br)cc32)cc1Cl ZINC001308069825 1070302243 /nfs/dbraw/zinc/30/22/43/1070302243.db2.gz ZIAOWRHBRIUXFH-MRXNPFEDSA-N 0 3 452.736 3.643 20 0 JHADHN C[C@@H]1CN(CCN2Cc3ccccc3OC3(CCN(C(=O)OC(C)(C)C)CC3)C2)C[C@@H](C)O1 ZINC001308106922 1070313872 /nfs/dbraw/zinc/31/38/72/1070313872.db2.gz IGNNFYRIIWFZFS-NHCUHLMSSA-N 0 3 459.631 3.760 20 0 JHADHN O=C(NCc1cc(Br)ccc1Cl)NC[C@]1(O)CCN(Cc2ccccc2)C1 ZINC001313303624 1070320437 /nfs/dbraw/zinc/32/04/37/1070320437.db2.gz ZHBRVZFQFRUTFZ-HXUWFJFHSA-N 0 3 452.780 3.539 20 0 JHADHN Cc1nn(Cc2ccc(Cl)cc2)c(C)c1CN1CCC(CN=[S@](C)(=O)N(C)C)CC1 ZINC001308148449 1070329508 /nfs/dbraw/zinc/32/95/08/1070329508.db2.gz NAJKWMZDSXLFEE-PMERELPUSA-N 0 3 452.068 3.988 20 0 JHADHN C[N@@H+]1C[C@@H](CNC(=O)N2C[C@H](CC[N-]C(=O)C(F)(F)F)c3ccccc32)[C@H](c2ccccc2)C1 ZINC001313370925 1070338873 /nfs/dbraw/zinc/33/88/73/1070338873.db2.gz GJVDRQJQKMCEKD-ZVDOUQERSA-N 0 3 474.527 3.714 20 0 JHADHN C[N@H+]1C[C@@H](CNC(=O)N2C[C@H](CC[N-]C(=O)C(F)(F)F)c3ccccc32)[C@H](c2ccccc2)C1 ZINC001313370925 1070338887 /nfs/dbraw/zinc/33/88/87/1070338887.db2.gz GJVDRQJQKMCEKD-ZVDOUQERSA-N 0 3 474.527 3.714 20 0 JHADHN COc1ccc(CNC2CCN(S(=O)(=O)Cc3ccccc3)CC2)c(Br)c1 ZINC001308279711 1070350681 /nfs/dbraw/zinc/35/06/81/1070350681.db2.gz QSZRSYBOPVCZQX-UHFFFAOYSA-N 0 3 453.402 3.542 20 0 JHADHN Cn1c(CNCCCC(=O)N2CCN(c3ccccc3)CC2)nc2cc(C(F)(F)F)ccc21 ZINC001308281282 1070351810 /nfs/dbraw/zinc/35/18/10/1070351810.db2.gz OJWQWLJDKKBDFV-UHFFFAOYSA-N 0 3 459.516 3.811 20 0 JHADHN COc1cc(CN2CC[C@H](NCc3ccccc3I)C2)cc(OC)c1 ZINC001308308256 1070354482 /nfs/dbraw/zinc/35/44/82/1070354482.db2.gz IYIBCMMPRIIMOG-KRWDZBQOSA-N 0 3 452.336 3.673 20 0 JHADHN CCOc1cccc(CNC[C@H]2CCCN2Cc2ccc(I)cc2)n1 ZINC001308386424 1070366462 /nfs/dbraw/zinc/36/64/62/1070366462.db2.gz WEIMRCFVDKFSFP-LJQANCHMSA-N 0 3 451.352 3.839 20 0 JHADHN CCOCCN(C)c1nnc(-c2cc(Br)cn2C)n1C[C@H](c1cccs1)N(C)C ZINC001314464811 1070374985 /nfs/dbraw/zinc/37/49/85/1070374985.db2.gz PHFNZABTZOXTKW-QGZVFWFLSA-N 0 3 481.464 3.883 20 0 JHADHN CCOCCN(C)c1nnc(-c2c[nH]c3ccccc32)n1CC(C)(C)N1C[C@@H](C)O[C@H](C)C1 ZINC001314469119 1070379968 /nfs/dbraw/zinc/37/99/68/1070379968.db2.gz TVLGGSBJCYHHBE-RTBURBONSA-N 0 3 454.619 3.787 20 0 JHADHN C[C@@H]1C[C@]2(CC[C@@H](CNCc3cc(Cl)cc(Cl)c3OCCN3CCOCC3)O2)CO1 ZINC001308525439 1070385494 /nfs/dbraw/zinc/38/54/94/1070385494.db2.gz JVJJQRCQTDIVNS-GTCCEBARSA-N 0 3 459.414 3.521 20 0 JHADHN COCOc1ccc(OC)cc1CN[C@@H]1CN(C(=O)OC(C)(C)C)CC2(CCOCC2)C1 ZINC001308518369 1070384986 /nfs/dbraw/zinc/38/49/86/1070384986.db2.gz DMKPLYGYJWROCP-IBGZPJMESA-N 0 3 450.576 3.574 20 0 JHADHN COc1ccc(CNCc2cc(I)c(OC)c(OC)c2)c(C)c1OC ZINC001308529693 1070386371 /nfs/dbraw/zinc/38/63/71/1070386371.db2.gz GQCFNVUOUJBRHY-UHFFFAOYSA-N 0 3 457.308 3.924 20 0 JHADHN CCc1ccc(-c2nn(-c3ccccc3C)cc2CNC[C@@]2(OC)CCS(=O)(=O)C2)cc1 ZINC001308527616 1070386458 /nfs/dbraw/zinc/38/64/58/1070386458.db2.gz MPCVJRHQPFRULK-VWLOTQADSA-N 0 3 453.608 3.703 20 0 JHADHN CCOCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001314492046 1070405219 /nfs/dbraw/zinc/40/52/19/1070405219.db2.gz XLUGCEKFHWUNJY-UHFFFAOYSA-N 0 3 498.455 3.749 20 0 JHADHN CN(C(=O)c1ccc(NCc2cn(-c3ccc(F)c(Cl)c3)nn2)cc1)[C@@H]1CCCN(C)C1 ZINC001308760095 1070432784 /nfs/dbraw/zinc/43/27/84/1070432784.db2.gz GCYSCRZVROYHLQ-HXUWFJFHSA-N 0 3 456.953 3.838 20 0 JHADHN CN(C(=O)c1ccc(NCc2nc3ccccn3c2Br)cc1)[C@H]1CCCN(C)C1 ZINC001308761231 1070432807 /nfs/dbraw/zinc/43/28/07/1070432807.db2.gz RAUMVABWARGUMG-SFHVURJKSA-N 0 3 456.388 3.875 20 0 JHADHN CCOCCOc1cc(C)ccc1Cn1c(Cc2ccncc2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001314502770 1070438743 /nfs/dbraw/zinc/43/87/43/1070438743.db2.gz IDIPBJUCBXSMMF-UHFFFAOYSA-N 0 3 492.668 3.956 20 0 JHADHN COC(=O)[C@@H]1CN(Cc2ccc3c(c2)sc(=O)n3C)C[C@H]1c1ccc(Br)cc1 ZINC001308828576 1070444245 /nfs/dbraw/zinc/44/42/45/1070444245.db2.gz SLGUSFSMZBPSMN-DLBZAZTESA-N 0 3 461.381 3.751 20 0 JHADHN CCS(=O)(=O)C1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCN(C)C(C)C)CC1 ZINC001314505554 1070448843 /nfs/dbraw/zinc/44/88/43/1070448843.db2.gz XAXXDIXIBQSHCG-UHFFFAOYSA-N 0 3 475.703 3.986 20 0 JHADHN CCCNC(=O)CCn1c(-c2cc3c(s2)CC[C@H](C)C3)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C ZINC001313477083 1070482546 /nfs/dbraw/zinc/48/25/46/1070482546.db2.gz JRGMDGSYOVQPSJ-OTWHNJEPSA-N 0 3 472.703 3.967 20 0 JHADHN CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(Cc2c(F)cccc2F)n1C[C@H]1CCCN(C(C)C)C1 ZINC001314519878 1070503103 /nfs/dbraw/zinc/50/31/03/1070503103.db2.gz BZNPREHXPZVQBS-MOPGFXCFSA-N 0 3 497.656 3.527 20 0 JHADHN CCS(=O)(=O)CCN(C)c1nnc(Cc2ccc(Cl)cc2)n1C[C@]1(N(C)C)CCC[C@@H](C)C1 ZINC001314526695 1070517830 /nfs/dbraw/zinc/51/78/30/1070517830.db2.gz GXLXSWLLWZHNQU-DVECYGJZSA-N 0 3 496.121 3.904 20 0 JHADHN CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@@H](CN2CCCC[C@H]2C)C1 ZINC001314533598 1070528215 /nfs/dbraw/zinc/52/82/15/1070528215.db2.gz LWUWEBTYPGJLQB-IRLDBZIGSA-N 0 3 491.677 3.534 20 0 JHADHN CCN(C[C@@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1ccc(Br)nc1F ZINC001309246656 1070641675 /nfs/dbraw/zinc/64/16/75/1070641675.db2.gz MCAHVSGAVOVCLE-MRXNPFEDSA-N 0 3 456.381 3.516 20 0 JHADHN CCN(C(=O)OC(C)(C)C)[C@H](C)Cn1c(-c2ccccc2)nnc1N1CCN(C2CCOCC2)CC1 ZINC001313544173 1070643311 /nfs/dbraw/zinc/64/33/11/1070643311.db2.gz SETKYYCSAQYWJG-OAQYLSRUSA-N 0 3 498.672 3.892 20 0 JHADHN CCS[C@@H]1CCCCN(c2nnc([C@@H]3CCCCO3)n2C[C@@H](C)N2CCN(CC)CC2)C1 ZINC001314603950 1070659185 /nfs/dbraw/zinc/65/91/85/1070659185.db2.gz OBKNIHDIYREQLA-VSKRKVRLSA-N 0 3 464.724 3.658 20 0 JHADHN Cc1ccc(S(=O)(=O)NC2[C@@H](C)CN(Cc3ccccc3)C[C@@H]2C)cc1C(=O)OC(C)C ZINC001309283816 1070668397 /nfs/dbraw/zinc/66/83/97/1070668397.db2.gz WCJLOUOUZUKEJD-PMACEKPBSA-N 0 3 458.624 3.995 20 0 JHADHN CCN(c1nnc(-c2cccc(Cl)c2)n1CCCN1CCC(C)CC1)[C@H]1CCS(=O)(=O)C1 ZINC001313582860 1070704578 /nfs/dbraw/zinc/70/45/78/1070704578.db2.gz AWAFMYLTSHQJND-NRFANRHFSA-N 0 3 480.078 3.734 20 0 JHADHN CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(C)(C)CN(C)C)[C@H](C)C1CCC1 ZINC001313585259 1070710112 /nfs/dbraw/zinc/71/01/12/1070710112.db2.gz VIXNMCJBEPKRKN-GOSISDBHSA-N 0 3 461.676 3.951 20 0 JHADHN C[C@@H](C1CCN(C)CC1)N(C)S(=O)(=O)c1cc(Br)cc(Br)c1 ZINC001309363973 1070725458 /nfs/dbraw/zinc/72/54/58/1070725458.db2.gz ZRHQFQYDIMMESH-NSHDSACASA-N 0 3 454.228 3.562 20 0 JHADHN CCN(c1nnc(Cc2ccc(Cl)cc2)n1CC[C@@H](C)N1CCCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001313608541 1070732912 /nfs/dbraw/zinc/73/29/12/1070732912.db2.gz CFGVYGSVMZPQHF-DENIHFKCSA-N 0 3 494.105 3.800 20 0 JHADHN CN(C)C(=O)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CCN(C2CCCCC2)CC1 ZINC001314643925 1070745464 /nfs/dbraw/zinc/74/54/64/1070745464.db2.gz SCKUXNBXIKOEED-UHFFFAOYSA-N 0 3 477.078 3.767 20 0 JHADHN CN(C)[C@H](Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@H](C(N)=O)C1)c1ccsc1 ZINC001314647895 1070751171 /nfs/dbraw/zinc/75/11/71/1070751171.db2.gz FZBUNFZHWLYASI-GHTZIAJQSA-N 0 3 466.655 3.919 20 0 JHADHN CN(C)[C@@H](Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@H](C(N)=O)C1)c1ccsc1 ZINC001314647900 1070751395 /nfs/dbraw/zinc/75/13/95/1070751395.db2.gz FZBUNFZHWLYASI-RXVVDRJESA-N 0 3 466.655 3.919 20 0 JHADHN CN(C)[C@@H](Cn1c(-c2ccccn2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1)c1cccs1 ZINC001314649142 1070754907 /nfs/dbraw/zinc/75/49/07/1070754907.db2.gz SLPPYHPCKUIESI-HKUYNNGSSA-N 0 3 483.642 3.808 20 0 JHADHN CN(C)[C@H](Cn1c(CC(C)(C)C)nnc1N1CC[C@@H](N2CCCC2=O)C1)c1ccc(F)cc1 ZINC001314649720 1070756742 /nfs/dbraw/zinc/75/67/42/1070756742.db2.gz DJSOYCMAXUMMSL-NHCUHLMSSA-N 0 3 456.610 3.510 20 0 JHADHN CN(C)[C@@H](Cn1c(CC(C)(C)C)nnc1N1CC[C@H](C(=O)NCC(F)(F)F)C1)c1ccccc1 ZINC001314650290 1070758830 /nfs/dbraw/zinc/75/88/30/1070758830.db2.gz HNHWTVCISRYMBH-OALUTQOASA-N 0 3 480.579 3.674 20 0 JHADHN CN(C)[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1)c1cccs1 ZINC001314650649 1070759403 /nfs/dbraw/zinc/75/94/03/1070759403.db2.gz KUXYTMGTZYSODN-GBESFXJTSA-N 0 3 490.674 3.640 20 0 JHADHN CN(C)[C@]1(Cn2c(C(=O)Nc3ccccn3)nnc2N2CCC(CC(F)(F)F)CC2)CCSC1 ZINC001314651303 1070760709 /nfs/dbraw/zinc/76/07/09/1070760709.db2.gz BVOMXLNZQVFJHF-NRFANRHFSA-N 0 3 497.591 3.532 20 0 JHADHN CCN(CC(C)C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H](c1ccc(OC)cc1)N1CCCC1 ZINC001313630467 1070760950 /nfs/dbraw/zinc/76/09/50/1070760950.db2.gz NQDQJFWBZVOSRS-FCHUYYIVSA-N 0 3 454.619 3.557 20 0 JHADHN CCN(CC(C)C)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](c1ccc(OC)cc1)N1CCCC1 ZINC001313630469 1070761159 /nfs/dbraw/zinc/76/11/59/1070761159.db2.gz NQDQJFWBZVOSRS-VXKWHMMOSA-N 0 3 454.619 3.557 20 0 JHADHN CN(C)[C@]1(Cn2c(C(=O)Nc3ccccn3)nnc2N(CCC(F)(F)F)CC2CC2)CCSC1 ZINC001314651884 1070761879 /nfs/dbraw/zinc/76/18/79/1070761879.db2.gz FCPWMXODDAJCGB-NRFANRHFSA-N 0 3 497.591 3.532 20 0 JHADHN CN(C)[C@H](Cn1c([C@H]2CCCO2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1)c1ccccc1 ZINC001314652865 1070764211 /nfs/dbraw/zinc/76/42/11/1070764211.db2.gz IXQKYGAYLRCSTG-YPAWHYETSA-N 0 3 484.645 3.926 20 0 JHADHN CN(C)[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCC[C@H](C(=O)NCC2CC2)C1)c1cccs1 ZINC001314656560 1070775656 /nfs/dbraw/zinc/77/56/56/1070775656.db2.gz PXLGJMJMQMWMJX-PMACEKPBSA-N 0 3 472.703 3.974 20 0 JHADHN CN(C)[C@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1)C1CCCCC1 ZINC001314654368 1070769130 /nfs/dbraw/zinc/76/91/30/1070769130.db2.gz GJVYNBUFVJPPBL-FGZHOGPDSA-N 0 3 494.105 3.656 20 0 JHADHN CN(C)C1(Cn2c(CSc3ccc(Cl)cc3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)CCCC1 ZINC001314658296 1070778775 /nfs/dbraw/zinc/77/87/75/1070778775.db2.gz XGJRROOJVCWRFE-LJQANCHMSA-N 0 3 498.118 3.722 20 0 JHADHN CC[C@@H]1CN(CC)CCN1S(=O)(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccc(F)cc1 ZINC001309495551 1070810628 /nfs/dbraw/zinc/81/06/28/1070810628.db2.gz OSSFBGOFWSVVLF-DSNGMDLFSA-N 0 3 459.631 3.540 20 0 JHADHN CCN(CC)[C@H](C)Cn1c(-c2cc3ccccc3o2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O ZINC001313656298 1070849866 /nfs/dbraw/zinc/84/98/66/1070849866.db2.gz AUFRNTWJPVMUDE-KURKYZTESA-N 0 3 461.632 3.679 20 0 JHADHN CN(c1nnc([C@@H]2CCCCO2)n1CCN1CCCCC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001314690961 1070850797 /nfs/dbraw/zinc/85/07/97/1070850797.db2.gz ANKCBRZSENXXGO-NRFANRHFSA-N 0 3 476.666 3.841 20 0 JHADHN CCN(CC)[C@H](C)Cn1c(-c2ccc3ccccc3n2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 ZINC001313661585 1070868591 /nfs/dbraw/zinc/86/85/91/1070868591.db2.gz YDWXJYNVSBQLNS-TZIWHRDSSA-N 0 3 484.670 3.627 20 0 JHADHN CN(C)[C@@H](Cn1c(-c2ccc(-n3cnnn3)cc2)nnc1N(C)CC(C)(C)C)c1ccsc1 ZINC001314711157 1070890734 /nfs/dbraw/zinc/89/07/34/1070890734.db2.gz MYSSSXAMPOHAGY-FQEVSTJZSA-N 0 3 465.631 3.768 20 0 JHADHN CCN(CC)[C@H](Cn1c([C@H]2CCCCO2)nnc1N1CCC(NC(C)=O)CC1)c1ccsc1 ZINC001313672054 1070901650 /nfs/dbraw/zinc/90/16/50/1070901650.db2.gz MHIJIFXIWJQLBS-FGZHOGPDSA-N 0 3 474.675 3.769 20 0 JHADHN CCN(CC)[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCO[C@](C)(C(C)(C)C)C1)c1ccco1 ZINC001313674039 1070910048 /nfs/dbraw/zinc/91/00/48/1070910048.db2.gz HVVDMWCHKGZLFN-IBVKSMDESA-N 0 3 486.661 3.718 20 0 JHADHN CCN(CC)[C@H](Cn1c(C2CCC2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1)c1ccsc1 ZINC001313674322 1070911383 /nfs/dbraw/zinc/91/13/83/1070911383.db2.gz USOKEJMEUBQTKY-OAQYLSRUSA-N 0 3 494.731 3.550 20 0 JHADHN O=S(=O)(NC/C=C\c1cccnc1)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccc(F)cc1 ZINC001309666379 1070912040 /nfs/dbraw/zinc/91/20/40/1070912040.db2.gz RBJTVAJPPWQACC-FVUWPRCLSA-N 0 3 451.567 3.822 20 0 JHADHN CCN(CC)[C@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@H](C)C1)c1ccsc1 ZINC001313674518 1070912804 /nfs/dbraw/zinc/91/28/04/1070912804.db2.gz KMNFBPLRBZTRFT-TZIWHRDSSA-N 0 3 457.648 3.509 20 0 JHADHN CCN(CC)[C@@H](Cn1c(Cc2cccnc2)nnc1N1CCO[C@](C)(CC)C1)c1ccco1 ZINC001313676112 1070919451 /nfs/dbraw/zinc/91/94/51/1070919451.db2.gz CGEDSKICTTZKNV-SQJMNOBHSA-N 0 3 452.603 3.945 20 0 JHADHN CCN(CC)[C@@H](Cn1c(C2CC2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1)c1ccco1 ZINC001313675195 1070914031 /nfs/dbraw/zinc/91/40/31/1070914031.db2.gz XWYNCSWDCOQQTA-PMACEKPBSA-N 0 3 456.635 3.963 20 0 JHADHN CCN(CC)[C@@H](Cn1c(-c2ccc(Cl)cc2)nnc1N1CC(=O)N(C)C[C@H]1C)c1ccco1 ZINC001313675341 1070915869 /nfs/dbraw/zinc/91/58/69/1070915869.db2.gz RYNRAZNHUXAKKR-XLIONFOSSA-N 0 3 471.005 3.942 20 0 JHADHN CCN(CC)[C@H](Cn1c(CC2CCCC2)nnc1N1CCN(C(=O)OC)CC1)c1ccco1 ZINC001313675539 1070916677 /nfs/dbraw/zinc/91/66/77/1070916677.db2.gz PHOGXHCRKWPKRW-HXUWFJFHSA-N 0 3 458.607 3.575 20 0 JHADHN CN(C)[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1ccc(Br)o1)c1cccs1 ZINC001314727043 1070936326 /nfs/dbraw/zinc/93/63/26/1070936326.db2.gz XFYBKFOIBOBMHM-HUUCEWRRSA-N 0 3 493.431 3.586 20 0 JHADHN CCN(CC)[C@@H](Cn1c([C@H]2CCCOC2)nnc1N1CCCN(C(=O)C(C)C)CC1)c1ccco1 ZINC001313681622 1070941257 /nfs/dbraw/zinc/94/12/57/1070941257.db2.gz YDHUKBJCYSPVSA-VXKWHMMOSA-N 0 3 486.661 3.543 20 0 JHADHN CCN(CC)CC(=O)N1CCN(c2nnc(CC3CCCC3)n2CCc2ccc(F)c(F)c2)CC1 ZINC001313698724 1070971796 /nfs/dbraw/zinc/97/17/96/1070971796.db2.gz KDBGNZXYMGARGR-UHFFFAOYSA-N 0 3 488.627 3.522 20 0 JHADHN CCN(CC)CC(=O)N1CCN(c2nnc(CC3CCCC3)n2C[C@H]2CCCCC2(F)F)CC1 ZINC001313698982 1070972438 /nfs/dbraw/zinc/97/24/38/1070972438.db2.gz PIEQBFWGWLUKGO-OAQYLSRUSA-N 0 3 480.648 3.827 20 0 JHADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3cccc(Cl)c3)n2CCC2(F)CCC2)CC1 ZINC001313701425 1070979939 /nfs/dbraw/zinc/97/99/39/1070979939.db2.gz VUHQXDOIYJJFHR-UHFFFAOYSA-N 0 3 477.028 3.871 20 0 JHADHN CCN(CC)CC(=O)N1CCN(c2nnc(C(C)C)n2CC2CC(c3ccccc3)C2)CC1 ZINC001313701397 1070980105 /nfs/dbraw/zinc/98/01/05/1070980105.db2.gz UCRMJRSZNHZPIP-UHFFFAOYSA-N 0 3 452.647 3.586 20 0 JHADHN CCN(CC)CC(=O)N1CCN(c2nnc(C(C)(C)C)n2CCc2ccc(SC)cc2)CC1 ZINC001313700493 1070977518 /nfs/dbraw/zinc/97/75/18/1070977518.db2.gz FIGFFXLLFKSGSA-UHFFFAOYSA-N 0 3 472.703 3.531 20 0 JHADHN C[S@](=O)(=NS(=O)(=O)N1CCC(c2ccccc2)(N2CCCC2)CC1)C1CCCCC1 ZINC001309904782 1071010796 /nfs/dbraw/zinc/01/07/96/1071010796.db2.gz LGLRPGZZLBXCRT-GDLZYMKVSA-N 0 3 453.674 3.749 20 0 JHADHN CN(C)[C@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)Cc1cnccn1)c1ccc(F)cc1 ZINC001314763771 1071023190 /nfs/dbraw/zinc/02/31/90/1071023190.db2.gz JSMMHNFGHAHZBG-HXUWFJFHSA-N 0 3 499.392 3.904 20 0 JHADHN CN(C)[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N(C)Cc1nc(C(F)(F)F)cs1)c1cccs1 ZINC001314772247 1071038205 /nfs/dbraw/zinc/03/82/05/1071038205.db2.gz SGVWNJYDTAWCPE-CHWSQXEVSA-N 0 3 499.588 3.705 20 0 JHADHN CN(C)[C@@H](Cn1c(-c2ccccn2)nnc1N(C)Cc1ncc(Cl)n1C)c1ccsc1 ZINC001314773849 1071042932 /nfs/dbraw/zinc/04/29/32/1071042932.db2.gz LDDZGUQFWWAYKB-KRWDZBQOSA-N 0 3 457.007 3.728 20 0 JHADHN CN(C)[C@@H](Cn1c(CNC(=O)c2cccs2)nnc1N(C)CC1CC(F)C1)c1ccc(F)cc1 ZINC001314785174 1071062349 /nfs/dbraw/zinc/06/23/49/1071062349.db2.gz DEWJCOYCQCXRTG-GQOXECLESA-N 0 3 488.608 3.896 20 0 JHADHN CCN1CCN(c2ccc(NC(=O)N[C@@H](c3nccn3C)c3ccc(F)c(F)c3)cc2)CC1 ZINC001310035930 1071075413 /nfs/dbraw/zinc/07/54/13/1071075413.db2.gz GNQBVZMOZMRRFT-JOCHJYFZSA-N 0 3 454.525 3.751 20 0 JHADHN CCN1CCN(c2ccc(NC(=O)N3CCCC[C@H]3COC(=O)N3CCCCC3)cc2)CC1 ZINC001310036337 1071076180 /nfs/dbraw/zinc/07/61/80/1071076180.db2.gz LFBDINQGCBQUKU-QHCPKHFHSA-N 0 3 457.619 3.837 20 0 JHADHN CCN(Cc1ccccc1F)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCCN1CCCC[C@H]1C ZINC001313748576 1071078529 /nfs/dbraw/zinc/07/85/29/1071078529.db2.gz YYYUEXDMKLIIBK-CTNGQTDRSA-N 0 3 477.650 3.610 20 0 JHADHN Cc1ccc(NC(=O)N2CCN(CCC(C)(C)C)CC2)cc1S(=O)(=O)N1CCCCC1 ZINC001310070930 1071096715 /nfs/dbraw/zinc/09/67/15/1071096715.db2.gz IPRUVIIKCOMIKV-UHFFFAOYSA-N 0 3 450.649 3.755 20 0 JHADHN C[C@@H]1CN(C(=O)Nc2ccc(NC(=O)c3ccco3)c(Cl)c2)CC[C@@H]1N1CCN(C)CC1 ZINC001310180998 1071186660 /nfs/dbraw/zinc/18/66/60/1071186660.db2.gz SEOHDKXBOFBYHQ-UZLBHIALSA-N 0 3 459.978 3.675 20 0 JHADHN CCN(CCn1c(-c2cccc(OC)c2)nnc1N1CCC[C@@H](n2cncn2)C1)CCC(F)(F)F ZINC001313803337 1071210344 /nfs/dbraw/zinc/21/03/44/1071210344.db2.gz OWPOFPWIMZIIMH-LJQANCHMSA-N 0 3 492.550 3.661 20 0 JHADHN O=C(Nc1ccc(CCN2CCSCC2)cc1)N[C@H]1CCN(c2ccccc2Cl)C1=O ZINC001310218627 1071215697 /nfs/dbraw/zinc/21/56/97/1071215697.db2.gz VKLHLFPBEYUIEP-FQEVSTJZSA-N 0 3 459.015 3.858 20 0 JHADHN CCN(CCn1c(-c2ccccc2C)nnc1N1CCCN(C(C)=O)CC1)CCC(F)(F)F ZINC001313807723 1071229338 /nfs/dbraw/zinc/22/93/38/1071229338.db2.gz WPIHXSXBAYIEAO-UHFFFAOYSA-N 0 3 466.552 3.586 20 0 JHADHN CCN(CCn1c(-c2ccccc2Br)nnc1N(C)OC)CCC(F)(F)F ZINC001313807596 1071229585 /nfs/dbraw/zinc/22/95/85/1071229585.db2.gz SKQMCBWZIPJPGW-UHFFFAOYSA-N 0 3 450.303 3.980 20 0 JHADHN CCN(CCn1c(-c2ccc(C)o2)nnc1N1CCN(c2ccnc(C)n2)CC1)CCC(F)(F)F ZINC001313808143 1071231821 /nfs/dbraw/zinc/23/18/21/1071231821.db2.gz BIUXSQWFFVMTOS-UHFFFAOYSA-N 0 3 492.550 3.546 20 0 JHADHN CCN(CCn1c(-c2cccnc2)nnc1N1CCC([C@@H]2CCOC2)CC1)CCC(F)(F)F ZINC001313808975 1071235127 /nfs/dbraw/zinc/23/51/27/1071235127.db2.gz FSBCJOYCPRVQQP-HXUWFJFHSA-N 0 3 466.552 3.867 20 0 JHADHN CCN(CCn1c(-c2c[nH]c3ccccc32)nnc1N(C)[C@@H]1CCOC1)CCC(F)(F)F ZINC001313812877 1071253089 /nfs/dbraw/zinc/25/30/89/1071253089.db2.gz PVIXJQLTTJEUCW-MRXNPFEDSA-N 0 3 450.509 3.926 20 0 JHADHN O=C(NCC1CCN(Cc2ccncc2)CC1)Nc1ccc(OCC(F)(F)C(F)F)nc1 ZINC001310282953 1071267865 /nfs/dbraw/zinc/26/78/65/1071267865.db2.gz CWTWCOQZSVNPOY-UHFFFAOYSA-N 0 3 455.456 3.790 20 0 JHADHN CN(CCn1c(N2CCN(c3ncccc3F)CC2)nnc1C(C)(C)C)Cc1ccc(F)cc1 ZINC001314867534 1071274514 /nfs/dbraw/zinc/27/45/14/1071274514.db2.gz ONGSZDMVABFVMC-UHFFFAOYSA-N 0 3 469.584 3.707 20 0 JHADHN CCN(CCS(C)(=O)=O)c1nnc(-c2ccc(Cl)cc2)n1CC(C)(C)CN1CCCC1 ZINC001313826066 1071294898 /nfs/dbraw/zinc/29/48/98/1071294898.db2.gz JWRZMAKCYOMPSE-UHFFFAOYSA-N 0 3 468.067 3.591 20 0 JHADHN Cc1ccc(NC(=O)N[C@@H]2CCCN(Cc3ccccc3)C2)cc1S(=O)(=O)NC(C)(C)C ZINC001310334626 1071316611 /nfs/dbraw/zinc/31/66/11/1071316611.db2.gz JVVPAIZSHGHKHO-OAQYLSRUSA-N 0 3 458.628 3.858 20 0 JHADHN Cc1ccc(NC(=O)NC[C@@]2(O)CCN(Cc3ccccc3)C2)cc1OCC1CCOCC1 ZINC001310347885 1071329205 /nfs/dbraw/zinc/32/92/05/1071329205.db2.gz YKTRCKIVRSDIDB-SANMLTNESA-N 0 3 453.583 3.559 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2Cc2cccc(C(F)(F)F)c2)C[C@@H]1C ZINC001313857868 1071357610 /nfs/dbraw/zinc/35/76/10/1071357610.db2.gz DITSUKLMWIWCQH-DLBZAZTESA-N 0 3 487.530 3.911 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(-c3cccc(OC)c3)n2CC(F)(F)Br)C[C@H]1C ZINC001313858269 1071358785 /nfs/dbraw/zinc/35/87/85/1071358785.db2.gz ACYWFYCHHXRYRO-ZIAGYGMSSA-N 0 3 458.351 3.860 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@@H]2CC(F)(F)CO2)C[C@H]1C ZINC001313858529 1071359588 /nfs/dbraw/zinc/35/95/88/1071359588.db2.gz BKLSNTLGTWEBRP-VKJFTORMSA-N 0 3 471.499 3.890 20 0 JHADHN CCn1cnnc1Cn1c(CCCc2ccccc2)nnc1N1CCN(CCC(C)(C)C)CC1 ZINC001313856158 1071355674 /nfs/dbraw/zinc/35/56/74/1071355674.db2.gz UAKQAFOVMCRERU-UHFFFAOYSA-N 0 3 464.662 3.671 20 0 JHADHN O=C(Nc1ccn(CC(F)F)n1)N1CCC(N2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC001310389374 1071361900 /nfs/dbraw/zinc/36/19/00/1071361900.db2.gz SGMQAHZXSMRRRG-UHFFFAOYSA-N 0 3 452.937 3.620 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3cccc(Br)c3)n2CCCO[C@@H]2CCOC2)C[C@H]1C ZINC001313859496 1071364619 /nfs/dbraw/zinc/36/46/19/1071364619.db2.gz GVJPSGMULORWBD-LVCYWYKZSA-N 0 3 492.462 3.822 20 0 JHADHN CCN1C[C@H](C)N(c2nnc([C@H](C)OCCOC)n2CCc2ccc(F)c(F)c2F)C[C@H]1C ZINC001313860769 1071371285 /nfs/dbraw/zinc/37/12/85/1071371285.db2.gz LITSATBDUIYSJJ-IKGGRYGDSA-N 0 3 469.552 3.581 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3cc(Br)c[nH]3)n2CC2CC(F)(F)C2)C[C@H]1C ZINC001313860091 1071367889 /nfs/dbraw/zinc/36/78/89/1071367889.db2.gz IZPUGAWUMJGNJS-OLZOCXBDSA-N 0 3 457.367 4.000 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(-c3cccc(Cl)c3)n2Cc2ncnn2C(C)(C)C)C[C@H]1C ZINC001313860481 1071369946 /nfs/dbraw/zinc/36/99/46/1071369946.db2.gz LFIWXPYLEIYIJN-IAGOWNOFSA-N 0 3 457.026 3.912 20 0 JHADHN CN1CCCC(C)(C)[C@H]1Cn1c(-c2ccccn2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 ZINC001314926807 1071370178 /nfs/dbraw/zinc/37/01/78/1071370178.db2.gz FINVRBYQBYBIIX-GOSISDBHSA-N 0 3 464.536 3.808 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCCSC)C[C@@H]1C ZINC001313861266 1071372871 /nfs/dbraw/zinc/37/28/71/1071372871.db2.gz PSRQLTMYYCZMQL-DLBZAZTESA-N 0 3 465.067 3.534 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3cc(C)nc4ccccc43)n2CCNC(=O)C(C)(C)C)C[C@@H]1C ZINC001313861550 1071374520 /nfs/dbraw/zinc/37/45/20/1071374520.db2.gz NQZLWFIZNWSCIJ-PMACEKPBSA-N 0 3 477.657 3.883 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(-c3ccc(OC)c(OC)c3)n2CC(F)(F)Br)C[C@H]1C ZINC001313863361 1071382664 /nfs/dbraw/zinc/38/26/64/1071382664.db2.gz DICFTCDPNGRKOC-ZIAGYGMSSA-N 0 3 488.377 3.869 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(-c3cnn(C)c3)n2Cc2ccccc2NC(=O)OC(C)(C)C)C[C@H]1C ZINC001313862663 1071378579 /nfs/dbraw/zinc/37/85/79/1071378579.db2.gz IMDNTCRGWWRGER-RTBURBONSA-N 0 3 494.644 3.993 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3ccc(F)cc3Br)n2C[C@]2(C)COCCO2)C[C@H]1C ZINC001313865270 1071391848 /nfs/dbraw/zinc/39/18/48/1071391848.db2.gz IEMPTFAXFSFYDL-ZMPRRUGASA-N 0 3 496.425 3.571 20 0 JHADHN CCN1C[C@H](C)N(c2nnc([C@@H]3COc4ccccc4O3)n2CC(F)(F)Br)C[C@H]1C ZINC001313865505 1071393402 /nfs/dbraw/zinc/39/34/02/1071393402.db2.gz DWDCDUAARJWEGW-KEYYUXOJSA-N 0 3 486.361 3.697 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(CCCOc3ccc(Cl)cc3C)n2C[C@H]2COCCO2)C[C@H]1C ZINC001313865681 1071393496 /nfs/dbraw/zinc/39/34/96/1071393496.db2.gz CPMCABYZJFFLLQ-URVUXULASA-N 0 3 492.064 3.586 20 0 JHADHN CCN1C[C@H](C)N(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCc2nc(C)c(C)s2)C[C@@H]1C ZINC001313865826 1071393956 /nfs/dbraw/zinc/39/39/56/1071393956.db2.gz YHOCHHGORWTULS-LLJLJFOGSA-N 0 3 476.691 3.554 20 0 JHADHN CCN1C[C@H](C)N(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2Cc2ccc(C)n(C)c2=O)C[C@H]1C ZINC001313865877 1071394011 /nfs/dbraw/zinc/39/40/11/1071394011.db2.gz YMKHPCPGYZMECW-HSALFYBXSA-N 0 3 482.604 3.532 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(-c3cccc(C)n3)n2Cc2ccc(F)c(COC)c2)C[C@H]1C ZINC001313865038 1071390461 /nfs/dbraw/zinc/39/04/61/1071390461.db2.gz NOONWIVBOBINFK-RTBURBONSA-N 0 3 452.578 3.901 20 0 JHADHN CCN1C[C@H](C)N(c2nnc([C@H](C)OCCOC)n2Cc2ccc3ncccc3c2)C[C@H]1C ZINC001313866394 1071396032 /nfs/dbraw/zinc/39/60/32/1071396032.db2.gz ZGWXKWHBRKPKPC-AABGKKOBSA-N 0 3 452.603 3.518 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3ccc(Cl)nc3)n2C[C@@H](C)NC(=O)OC(C)(C)C)C[C@H]1C ZINC001313867102 1071397975 /nfs/dbraw/zinc/39/79/75/1071397975.db2.gz LFMPDCWYKIXUIY-ZACQAIPSSA-N 0 3 478.041 3.826 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3ccc(OC)c(OC)c3)n2Cc2c(C)noc2C)C[C@H]1C ZINC001313867583 1071399005 /nfs/dbraw/zinc/39/90/05/1071399005.db2.gz MHYIXIIVNACSSR-CVEARBPZSA-N 0 3 454.575 3.534 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3ccccc3)n2CCNc2nccc(C(F)(F)F)n2)C[C@H]1C ZINC001313867166 1071399219 /nfs/dbraw/zinc/39/92/19/1071399219.db2.gz MEZSNJJBAQDXRK-SJORKVTESA-N 0 3 474.535 3.785 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2C[C@H]2CCOC2)C[C@@H]1C ZINC001313867629 1071400689 /nfs/dbraw/zinc/40/06/89/1071400689.db2.gz MSCCYATYUCSXDD-SLFFLAALSA-N 0 3 457.619 3.696 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3ccccc3Br)n2CCSCCCO)C[C@H]1C ZINC001313868552 1071405674 /nfs/dbraw/zinc/40/56/74/1071405674.db2.gz BSPSDWCPMUIJSP-SJORKVTESA-N 0 3 482.492 3.742 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(Cc3ccccn3)n2CCOc2ccc(Cl)cc2)C[C@H]1C ZINC001313868147 1071402513 /nfs/dbraw/zinc/40/25/13/1071402513.db2.gz AUTYXNVFJYUMJK-MOPGFXCFSA-N 0 3 455.006 3.915 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(CN3CCCC3=O)n2CC[C@@H](C)c2ccc(OC)cc2)C[C@@H]1C ZINC001313868420 1071404471 /nfs/dbraw/zinc/40/44/71/1071404471.db2.gz NDAROFLRBCJNKZ-HKBOAZHASA-N 0 3 468.646 3.522 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3ccccc3Br)n2Cc2conc2COC)C[C@H]1C ZINC001313869787 1071410285 /nfs/dbraw/zinc/41/02/85/1071410285.db2.gz QNNVGKUBTLEFDJ-CVEARBPZSA-N 0 3 489.418 3.809 20 0 JHADHN CNC(=O)[C@@H](C)CN(C)c1nnc(-c2cc(C)nc3ccccc32)n1C[C@@H](c1ccsc1)N(C)C ZINC001314948360 1071410959 /nfs/dbraw/zinc/41/09/59/1071410959.db2.gz NGDSZDXIEUOVRX-SBUREZEXSA-N 0 3 491.665 3.984 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3ccc(OC)cc3OC)n2CCc2ccccn2)C[C@H]1C ZINC001313869502 1071407290 /nfs/dbraw/zinc/40/72/90/1071407290.db2.gz PVPSWONELRMYRY-MOPGFXCFSA-N 0 3 450.587 3.519 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(C3CCN(c4ncccn4)CC3)n2CCCCOC(C)C)C[C@H]1C ZINC001313869279 1071408477 /nfs/dbraw/zinc/40/84/77/1071408477.db2.gz PBGPQRYMOUOBCQ-YADHBBJMSA-N 0 3 484.693 3.576 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(Cc3ccccc3C)n2CCCN(C)CC(F)(F)F)C[C@H]1C ZINC001313870604 1071414116 /nfs/dbraw/zinc/41/41/16/1071414116.db2.gz FBSNDDFCZIBDIC-UXHICEINSA-N 0 3 466.596 3.980 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(CCc3ccc(OC)cc3)n2CCc2nccs2)C[C@@H]1C ZINC001313870634 1071414282 /nfs/dbraw/zinc/41/42/82/1071414282.db2.gz VEMCLPKJFTXSRX-RBUKOAKNSA-N 0 3 454.644 3.690 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(CCc3ccccc3)n2C[C@](C)(O)c2cccs2)C[C@@H]1C ZINC001313871146 1071416625 /nfs/dbraw/zinc/41/66/25/1071416625.db2.gz XKTUPRFUDHICCF-RLSLOFABSA-N 0 3 453.656 3.951 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3ccc(OC)cc3OC)n2CCCc2nnc(C)s2)C[C@@H]1C ZINC001313871579 1071417639 /nfs/dbraw/zinc/41/76/39/1071417639.db2.gz URSKZIZWGRVZSL-IRXDYDNUSA-N 0 3 485.658 3.674 20 0 JHADHN CCN1C[C@H](C)N(c2nnc([C@@H]3CCOC3)n2Cc2cc(Br)ccc2OC)C[C@H]1C ZINC001313871849 1071418285 /nfs/dbraw/zinc/41/82/85/1071418285.db2.gz UAGVGPCBOWSVMD-IXDOHACOSA-N 0 3 478.435 3.520 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(-c3ccc(Cl)nc3)n2Cc2cccc(NC(C)=O)c2)C[C@H]1C ZINC001313871947 1071419264 /nfs/dbraw/zinc/41/92/64/1071419264.db2.gz VWURENBFKSKMDG-IAGOWNOFSA-N 0 3 468.005 3.919 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(-c3cccn3C)n2Cc2cccc(C(OC)OC)c2)C[C@H]1C ZINC001313872605 1071419812 /nfs/dbraw/zinc/41/98/12/1071419812.db2.gz JKZIPXOWNXKTDY-RTBURBONSA-N 0 3 452.603 3.542 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(CC(C)(C)C)n2Cc2ccccc2CN2CCCC2=O)C[C@H]1C ZINC001313872262 1071421030 /nfs/dbraw/zinc/42/10/30/1071421030.db2.gz VWDIXHMGVLWKCA-RTWAWAEBSA-N 0 3 466.674 3.956 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(-c3ccc(OCCC(C)C)cc3)n2C[C@H]2CCC(=O)N2)C[C@@H]1C ZINC001313873044 1071423998 /nfs/dbraw/zinc/42/39/98/1071423998.db2.gz YKNPRIXHANGMMF-TUNNFDKTSA-N 0 3 468.646 3.568 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(COc3ccc(Cl)cc3)n2Cc2cc(C)nn2C)C[C@H]1C ZINC001313874168 1071428015 /nfs/dbraw/zinc/42/80/15/1071428015.db2.gz GJXGYJSSPYDBMC-MSOLQXFVSA-N 0 3 458.010 3.520 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(COc3ccc(Cl)cc3)n2Cc2cc(C)nn2C)C[C@H]1C ZINC001313874169 1071428032 /nfs/dbraw/zinc/42/80/32/1071428032.db2.gz GJXGYJSSPYDBMC-QZTJIDSGSA-N 0 3 458.010 3.520 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(-c3ccc(OC)c(OC)c3)n2CC(C)(C)CCOC)C[C@H]1C ZINC001313873437 1071425615 /nfs/dbraw/zinc/42/56/15/1071425615.db2.gz ZTLKEBQUMIFSOU-RTBURBONSA-N 0 3 459.635 3.944 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(COc3ccc(Cl)cc3Cl)n2C[C@]2(O)CCO[C@@H]2C)C[C@H]1C ZINC001313873917 1071426474 /nfs/dbraw/zinc/42/64/74/1071426474.db2.gz FFWFEHWYMOHEKZ-BMCPXHGSSA-N 0 3 498.455 3.623 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(Cc3ccc(Cl)cc3)n2CCNC(=O)C(C)(C)C)C[C@@H]1C ZINC001313874316 1071427151 /nfs/dbraw/zinc/42/71/51/1071427151.db2.gz NLHPNLGCZACCSM-ROUUACIJSA-N 0 3 461.054 3.604 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(OC(F)F)cc2)C[C@H]1C ZINC001313874039 1071427294 /nfs/dbraw/zinc/42/72/94/1071427294.db2.gz FYQNTZJQDAMGST-RTBURBONSA-N 0 3 473.572 3.708 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(Cc3c(F)cccc3F)n2CCCOC(F)(F)F)C[C@@H]1C ZINC001313874857 1071431161 /nfs/dbraw/zinc/43/11/61/1071431161.db2.gz OKMPAVAVNALIAZ-LSDHHAIUSA-N 0 3 461.479 3.993 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(Cc3ccccc3OC)n2CCc2csc(C)n2)C[C@H]1C ZINC001313875254 1071432706 /nfs/dbraw/zinc/43/27/06/1071432706.db2.gz PTOPMDVXUMGJHH-MSOLQXFVSA-N 0 3 454.644 3.804 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(Cc3ccccc3OC)n2CCc2csc(C)n2)C[C@@H]1C ZINC001313875260 1071433057 /nfs/dbraw/zinc/43/30/57/1071433057.db2.gz PTOPMDVXUMGJHH-ZWKOTPCHSA-N 0 3 454.644 3.804 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(COc3cccc(C)c3)n2CCCN(C)CC(F)(F)F)C[C@@H]1C ZINC001313876482 1071438481 /nfs/dbraw/zinc/43/84/81/1071438481.db2.gz OYEFLJOHPSSVCK-PMACEKPBSA-N 0 3 482.595 3.969 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(Cc3c(F)cccc3F)n2CCOc2ncccc2F)C[C@@H]1C ZINC001313878638 1071445384 /nfs/dbraw/zinc/44/53/84/1071445384.db2.gz WQZDMMICKHPHJX-DLBZAZTESA-N 0 3 474.531 3.679 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(-c3ccccc3C)n2CCC(=O)N2CCCCCC2)C[C@@H]1C ZINC001313877318 1071441486 /nfs/dbraw/zinc/44/14/86/1071441486.db2.gz WQBQUKFDRLCDCD-FCHUYYIVSA-N 0 3 452.647 3.965 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3ccccc3Cl)n2CC2CCN(C(=O)OC)CC2)C[C@H]1C ZINC001313877890 1071443206 /nfs/dbraw/zinc/44/32/06/1071443206.db2.gz XKHKREJINDACDL-MSOLQXFVSA-N 0 3 475.037 3.996 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(COc3ccc(Br)cc3)n2C[C@@H]2CCCOC2)C[C@@H]1C ZINC001313878341 1071444545 /nfs/dbraw/zinc/44/45/45/1071444545.db2.gz UHRDZQYIOHSZTN-FHWLQOOXSA-N 0 3 492.462 3.965 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(-c3cccn3C)n2Cc2cc(Cl)c(OC)c(OC)c2)C[C@@H]1C ZINC001313878860 1071445898 /nfs/dbraw/zinc/44/58/98/1071445898.db2.gz ZHQLTBMQZDLTMI-DLBZAZTESA-N 0 3 473.021 3.921 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(COc3ccc(OC)cc3)n2Cc2ncccc2C)C[C@@H]1C ZINC001313879365 1071449563 /nfs/dbraw/zinc/44/95/63/1071449563.db2.gz ZNPZTPITRRUFFX-PMACEKPBSA-N 0 3 450.587 3.536 20 0 JHADHN CCN1C[C@H](C)N(c2nnc([C@H]3CCCO3)n2CCc2nc(C(F)(F)F)cs2)C[C@@H]1C ZINC001313884085 1071463421 /nfs/dbraw/zinc/46/34/21/1071463421.db2.gz KUIHSHLQWDZRGR-SOUVJXGZSA-N 0 3 458.554 3.767 20 0 JHADHN CCN1C[C@H](C)N(c2nnc([C@H]3CCCO3)n2C[C@@H]2[C@H](C)CCN2C(=O)OC(C)(C)C)C[C@@H]1C ZINC001313883122 1071460433 /nfs/dbraw/zinc/46/04/33/1071460433.db2.gz IHOKTKXAIQKCMR-XDWAVFMPSA-N 0 3 476.666 3.694 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(CSc3ccc(C)cc3)n2Cc2cnn(CCOC)c2)C[C@H]1C ZINC001313884835 1071465091 /nfs/dbraw/zinc/46/50/91/1071465091.db2.gz NTEOORKZINZILW-NHCUHLMSSA-N 0 3 483.686 3.689 20 0 JHADHN CNC(=O)c1ccc(CN(C)c2nnc(C3CCC3)n2C[C@@H](c2cccs2)N(C)C)cc1 ZINC001314976104 1071466873 /nfs/dbraw/zinc/46/68/73/1071466873.db2.gz HWHBQQKBNCLVQY-FQEVSTJZSA-N 0 3 452.628 3.906 20 0 JHADHN CCN1C[C@H](C)N(c2nnc([C@H]3CCCO3)n2Cc2ccc(I)cc2)C[C@@H]1C ZINC001313885519 1071467145 /nfs/dbraw/zinc/46/71/45/1071467145.db2.gz PGBOHNDCLNSXQI-TXPKVOOTSA-N 0 3 495.409 3.701 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(CSc3ccc(C)cc3)n2C[C@@]2(O)CCSC2)C[C@@H]1C ZINC001313888686 1071478261 /nfs/dbraw/zinc/47/82/61/1071478261.db2.gz XHRGLYPGZKVZPO-YDHSSHFGSA-N 0 3 461.701 3.666 20 0 JHADHN CCN1CCN([C@H](C)Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N(C)[C@@H]2CCSC2)CC1 ZINC001313919414 1071557100 /nfs/dbraw/zinc/55/71/00/1071557100.db2.gz AVJSTNMKCBWMOT-SVFBPWRDSA-N 0 3 476.666 3.525 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(C(C)C)nnc2N2CCc3ccc(Br)cc3C2)CC1 ZINC001313920761 1071559314 /nfs/dbraw/zinc/55/93/14/1071559314.db2.gz MGYQJPFYQGXFQC-SFHVURJKSA-N 0 3 475.479 3.753 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(-c3cccc(OC)c3)nnc2N(C)Cc2ccc(C)s2)CC1 ZINC001313920473 1071558582 /nfs/dbraw/zinc/55/85/82/1071558582.db2.gz JFYVOXOKUCSETM-IBGZPJMESA-N 0 3 468.671 3.986 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c([C@@H](C)Oc3ccc(F)cc3)nnc2N2CCC=C(C)C2)CC1 ZINC001313922959 1071565727 /nfs/dbraw/zinc/56/57/27/1071565727.db2.gz ZAAHUMWSXJUNNU-LEWJYISDSA-N 0 3 456.610 3.740 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(-c3ccccc3F)nnc2N2C[C@@H](C)C(F)(F)[C@@H](C)C2)CC1 ZINC001313923907 1071568841 /nfs/dbraw/zinc/56/88/41/1071568841.db2.gz APPACAGMXZUUBO-OTWHNJEPSA-N 0 3 464.580 3.838 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(-c3ccc(OC)cc3)nnc2N2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC001313924449 1071570918 /nfs/dbraw/zinc/57/09/18/1071570918.db2.gz GBWGMRWYJCCZAI-UYAOXDASSA-N 0 3 480.579 3.758 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(CC(C)(C)C)nnc2N2CCN(c3ccc(C)cc3)CC2)CC1 ZINC001313926120 1071575613 /nfs/dbraw/zinc/57/56/13/1071575613.db2.gz CMGKGYHNQGEWEC-QHCPKHFHSA-N 0 3 467.706 3.528 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(-c3cccnc3)nnc2N(C)[C@H](C)c2ccc(OC)cc2)CC1 ZINC001313924954 1071572282 /nfs/dbraw/zinc/57/22/82/1071572282.db2.gz KCZRNNGCXGCZOO-LEWJYISDSA-N 0 3 463.630 3.572 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(-c3ccccc3F)nnc2N(C)C[C@@H](C)c2nccs2)CC1 ZINC001313925370 1071573222 /nfs/dbraw/zinc/57/32/22/1071573222.db2.gz PDOATOWCVUBGEV-RTBURBONSA-N 0 3 471.650 3.807 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(N3CCO[C@H](c4ccccc4Cl)C3)nnc2C(C)(C)C)CC1 ZINC001313926178 1071575380 /nfs/dbraw/zinc/57/53/80/1071575380.db2.gz ATPBUMWZHNISDD-UGKGYDQZSA-N 0 3 475.081 3.833 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(COc3cc(C)cc(C)c3)nnc2N2CCCC[C@@H](COC)C2)CC1 ZINC001313926160 1071575445 /nfs/dbraw/zinc/57/54/45/1071575445.db2.gz AGRIWZBGVZXFCF-JWQCQUIFSA-N 0 3 498.716 3.753 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(-c3ccc(OC(C)C)c(OC)c3)nnc2N2CCC(F)(F)C2)CC1 ZINC001313926756 1071577550 /nfs/dbraw/zinc/57/75/50/1071577550.db2.gz XVIVUQLEUBRZPC-IBGZPJMESA-N 0 3 492.615 3.612 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(-c3ccc[nH]3)nnc2N(C)Cc2ccc(F)c(Cl)c2)CC1 ZINC001313927086 1071578736 /nfs/dbraw/zinc/57/87/36/1071578736.db2.gz ZYICGDGLGDQYQL-QGZVFWFLSA-N 0 3 460.001 3.728 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(COc3ccc(C)cc3)nnc2N2CCCC(C)(C)C2)CC1 ZINC001313926999 1071578749 /nfs/dbraw/zinc/57/87/49/1071578749.db2.gz HBDUVDDMUXJXFI-QFIPXVFZSA-N 0 3 454.663 3.818 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(CC(C)(C)C)nnc2N2CCO[C@@H](c3cccc(F)c3)C2)CC1 ZINC001313927184 1071579355 /nfs/dbraw/zinc/57/93/55/1071579355.db2.gz HLEGFJKPNJWCEK-NZQKXSOJSA-N 0 3 472.653 3.610 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCC[C@H](C)CC2)CC1 ZINC001313927417 1071579827 /nfs/dbraw/zinc/57/98/27/1071579827.db2.gz KRBARURYQVKBJD-MYDTUXCISA-N 0 3 460.711 3.849 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(COc3cccc(C)c3)nnc2N2CCSC(C)(C)C2)CC1 ZINC001313928298 1071583153 /nfs/dbraw/zinc/58/31/53/1071583153.db2.gz UJBNGZQVAGLVCT-NRFANRHFSA-N 0 3 472.703 3.523 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(COc3cc(C)cc(C)c3)nnc2N2CCS[C@H](C)[C@H]2C)CC1 ZINC001313929318 1071586552 /nfs/dbraw/zinc/58/65/52/1071586552.db2.gz YYTKTVDVYMMPCZ-DNVJHFABSA-N 0 3 486.730 3.830 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(CC(C)C)nnc2N2CCC[C@@H]2c2ccc(COC)o2)CC1 ZINC001313931341 1071591699 /nfs/dbraw/zinc/59/16/99/1071591699.db2.gz XYALSEZLNJEXTL-RBBKRZOGSA-N 0 3 458.651 3.584 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(-c3cc(-c4ccccc4)on3)nnc2N(C)CC(F)(F)F)CC1 ZINC001313931972 1071594407 /nfs/dbraw/zinc/59/44/07/1071594407.db2.gz VISLCHXELGUUGN-QGZVFWFLSA-N 0 3 477.535 3.625 20 0 JHADHN CCN1CCN(c2nnc(COc3ccc(C)cc3)n2CC(C)(C)N2C[C@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC001313941391 1071616914 /nfs/dbraw/zinc/61/69/14/1071616914.db2.gz CGRJLQZWZRYUEE-VABKMULXSA-N 0 3 484.689 3.584 20 0 JHADHN CCN1CCN(c2nnc(COc3ccc(C)cc3)n2CC(C)(C)N2C[C@@H](C)O[C@@H](C)C2)C[C@H]1C ZINC001313941393 1071617038 /nfs/dbraw/zinc/61/70/38/1071617038.db2.gz CGRJLQZWZRYUEE-ZLNRFVROSA-N 0 3 484.689 3.584 20 0 JHADHN CCN1CCN([C@@H]2CCN(c3nnc(CC(C)(C)C)n3CCc3csc(C(C)C)n3)C2)CC1 ZINC001313946977 1071630474 /nfs/dbraw/zinc/63/04/74/1071630474.db2.gz IPJOCPHEVVXDOR-OAQYLSRUSA-N 0 3 473.735 3.906 20 0 JHADHN CCN1CCN(C[C@@H](C)Cn2c([C@H]3CCCO3)nnc2N(C)C[C@H](C)c2ccccc2)CC1 ZINC001313951027 1071640068 /nfs/dbraw/zinc/64/00/68/1071640068.db2.gz CTCUGPHRZCVRDA-AOHZBQACSA-N 0 3 454.663 3.643 20 0 JHADHN CCN1CCN(C[C@@H](C)Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)CC2CC(F)(F)C2)CC1 ZINC001313951492 1071642374 /nfs/dbraw/zinc/64/23/74/1071642374.db2.gz ISFJPGGCECQXLK-CEMLEFRQSA-N 0 3 496.691 3.952 20 0 JHADHN CCN1CCN(C[C@H](C)Cn2c(N3CCC(CO)(Cc4ccccc4)CC3)nnc2C(C)(C)C)CC1 ZINC001313951887 1071643615 /nfs/dbraw/zinc/64/36/15/1071643615.db2.gz MAMZJDGNVNIUOF-DEOSSOPVSA-N 0 3 496.744 3.671 20 0 JHADHN CCN1CCN(C[C@H](C)Cn2c(C3CCCC3)nnc2N(C)Cc2ccccc2OC)CC1 ZINC001313952008 1071643646 /nfs/dbraw/zinc/64/36/46/1071643646.db2.gz CLROHMJGGDFISJ-NRFANRHFSA-N 0 3 454.663 3.854 20 0 JHADHN CCN1CCN(C[C@@H](C)Cn2c([C@H]3CCCO3)nnc2N(C)Cc2cc(Cl)ccc2OC)CC1 ZINC001313952105 1071644520 /nfs/dbraw/zinc/64/45/20/1071644520.db2.gz NBGZHBNCLFBZJP-AUSIDOKSSA-N 0 3 491.080 3.702 20 0 JHADHN CCN1CCN(C[C@H](C)Cn2c(C3CCC3)nnc2N(C)[C@H](C)c2ccc([S@@](C)=O)cc2)CC1 ZINC001313954835 1071652886 /nfs/dbraw/zinc/65/28/86/1071652886.db2.gz QCXJQXBCQKDUGF-ONTHSEAMSA-N 0 3 486.730 3.754 20 0 JHADHN CCN1CCN(C[C@H](C)Cn2c(C3CCC3)nnc2N(C)[C@@H](C)c2ccc([S@@](C)=O)cc2)CC1 ZINC001313954834 1071653015 /nfs/dbraw/zinc/65/30/15/1071653015.db2.gz QCXJQXBCQKDUGF-IIVSKPMISA-N 0 3 486.730 3.754 20 0 JHADHN CCN1CCN(C[C@H](C)Cn2c(COc3cccc(C)c3)nnc2N2CC[C@H](C)[C@H]2C)CC1 ZINC001313956468 1071658018 /nfs/dbraw/zinc/65/80/18/1071658018.db2.gz MQUUZMQMLGMPAZ-RJGXRXQPSA-N 0 3 454.663 3.674 20 0 JHADHN CCN1CCN(CCCn2c(CC(C)(C)C)nnc2N2CCO[C@H](c3ccccc3F)C2)CC1 ZINC001313956810 1071658688 /nfs/dbraw/zinc/65/86/88/1071658688.db2.gz LJIPGLOVLSBWGN-QHCPKHFHSA-N 0 3 472.653 3.611 20 0 JHADHN CCN1CCN(C[C@H](C)Cn2c(CCc3ccccc3)nnc2N2CCCC[C@@H](C)C2)CC1 ZINC001313957112 1071659463 /nfs/dbraw/zinc/65/94/63/1071659463.db2.gz OTBGJMHSZJEXQT-RPWUZVMVSA-N 0 3 452.691 3.963 20 0 JHADHN CCN1CCN(CCCn2c([C@H]3CCCCO3)nnc2N(C)[C@@H](C)c2ccc(OC)cc2)CC1 ZINC001313957539 1071660630 /nfs/dbraw/zinc/66/06/30/1071660630.db2.gz WAMYMPDWLJBXTK-XUZZJYLKSA-N 0 3 470.662 3.753 20 0 JHADHN CCN1CCN(CCCn2c([C@H]3CCCCO3)nnc2N(C)[C@H](C)c2ccc(OC)cc2)CC1 ZINC001313957541 1071660789 /nfs/dbraw/zinc/66/07/89/1071660789.db2.gz WAMYMPDWLJBXTK-ZJSXRUAMSA-N 0 3 470.662 3.753 20 0 JHADHN CCN1CCN(CCCn2c([C@H]3CCCCO3)nnc2N(C)Cc2ccc(F)c(Cl)c2)CC1 ZINC001313957752 1071661373 /nfs/dbraw/zinc/66/13/73/1071661373.db2.gz ZAZANRWUVYAQRS-JOCHJYFZSA-N 0 3 479.044 3.976 20 0 JHADHN CCN1CCN(C[C@@H](C)Cn2c(Cc3ccc(F)cc3)nnc2N(C)Cc2cnc(C)s2)CC1 ZINC001313958320 1071663525 /nfs/dbraw/zinc/66/35/25/1071663525.db2.gz VVBXJSGAFSRDLV-LJQANCHMSA-N 0 3 485.677 3.683 20 0 JHADHN CCN1CCN(CCCn2c(N(C)Cc3nc(C(F)(F)F)cs3)nnc2C(C)(C)C)CC1 ZINC001313959354 1071666949 /nfs/dbraw/zinc/66/69/49/1071666949.db2.gz QPWYIJFDDVNTJH-UHFFFAOYSA-N 0 3 473.613 3.715 20 0 JHADHN CCN1CCN(CCCn2c(Cc3ccccc3F)nnc2N2C[C@@H](C)C(F)(F)[C@@H](C)C2)CC1 ZINC001313959940 1071668172 /nfs/dbraw/zinc/66/81/72/1071668172.db2.gz CPXRSJMWGXWSIW-BGYRXZFFSA-N 0 3 478.607 3.763 20 0 JHADHN CCN1CCN(CCCn2c(COc3cc(C)ccc3C)nnc2N2C[C@@H](C)OC(C)(C)C2)CC1 ZINC001313960775 1071671087 /nfs/dbraw/zinc/67/10/87/1071671087.db2.gz MNENWRRLOYOLLJ-HSZRJFAPSA-N 0 3 484.689 3.505 20 0 JHADHN CCOC(=O)N(C)C1CCN(c2nnc(Cc3ccncc3)n2C[C@@H](c2ccccc2)N(C)C)CC1 ZINC001314017532 1071763182 /nfs/dbraw/zinc/76/31/82/1071763182.db2.gz HHESPYLMCGEHMC-DEOSSOPVSA-N 0 3 491.640 3.624 20 0 JHADHN CCOC(=O)N1CCN(c2nnc([C@H]3CCCOC3)n2C[C@H](c2ccsc2)N(CC)CC)CC1 ZINC001314024026 1071780739 /nfs/dbraw/zinc/78/07/39/1071780739.db2.gz ZYAKDKUOMZTELK-PZJWPPBQSA-N 0 3 490.674 3.595 20 0 JHADHN CCOC(=O)N[C@@H]1CCCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCN2CCCCC2)C1 ZINC001314032044 1071808323 /nfs/dbraw/zinc/80/83/23/1071808323.db2.gz AHBHQUYBIYQUAR-VQTJNVASSA-N 0 3 488.608 3.758 20 0 JHADHN CCO[C@H](CCn1c(C2CCCC2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1)C(C)C ZINC001314058671 1071889725 /nfs/dbraw/zinc/88/97/25/1071889725.db2.gz CBOHHWICTUYMEO-BJKOFHAPSA-N 0 3 460.711 3.992 20 0 JHADHN CCO[C@H](CCn1c(C2CCCC2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1)C(C)C ZINC001314060691 1071896285 /nfs/dbraw/zinc/89/62/85/1071896285.db2.gz QNSGUVAXVVBCQW-IEZKXTBUSA-N 0 3 488.721 3.766 20 0 JHADHN CCO[C@@]1(c2nnc(N3CC(C)(C)OC(C)(C)C3)n2C[C@@H](c2ccccc2)N(C)C)CCOC1 ZINC001314094622 1071973145 /nfs/dbraw/zinc/97/31/45/1071973145.db2.gz AIYCFMSVJXQJCR-LVXARBLLSA-N 0 3 471.646 3.627 20 0 JHADHN CCO[C@]1(c2nnc(N3C[C@H](C)N(CC)C[C@@H]3C)n2C[C@H](SC)C(C)(C)C)CCOC1 ZINC001314095347 1071974701 /nfs/dbraw/zinc/97/47/01/1071974701.db2.gz NMKDCWVWVMHRIT-KEXUJGGDSA-N 0 3 453.697 3.627 20 0 JHADHN CCO[C@]1(c2nnc(N3C[C@H](C)N(CC)C[C@H]3C)n2C[C@@H](C)c2ccc(F)cc2)CCOC1 ZINC001314098152 1071978849 /nfs/dbraw/zinc/97/88/49/1071978849.db2.gz YGFSVZPIZFIUCM-XZWCOCNFSA-N 0 3 459.610 3.792 20 0 JHADHN CCO[C@]1(c2nnc(N3C[C@H](C)N(CC)C[C@H]3C)n2CCC2CC(OC(C)(C)C)C2)CCOC1 ZINC001314105904 1071996337 /nfs/dbraw/zinc/99/63/37/1071996337.db2.gz WNLSROICLKZFTJ-RCOPGROBSA-N 0 3 477.694 3.833 20 0 JHADHN CCO[C@]1(c2nnc(N3CCN(C(C)(C)C)CC3)n2CCSc2ccccc2)CCOC1 ZINC001314133452 1072045796 /nfs/dbraw/zinc/04/57/96/1072045796.db2.gz ARLRAMBBUCDMGP-XMMPIXPASA-N 0 3 459.660 3.643 20 0 JHADHN CCO[C@]1(c2nnc(N3CCN(CCC(C)(C)C)CC3)n2CCc2nc(C)c(C)s2)CCOC1 ZINC001314134377 1072046246 /nfs/dbraw/zinc/04/62/46/1072046246.db2.gz GYRGUKKTAPCCSS-RUZDIDTESA-N 0 3 490.718 3.804 20 0 JHADHN CCO[C@@]1(c2nnc(N3CCN(CC(C)C)CC3)n2C[C@@H](C)Sc2ccccc2)CCOC1 ZINC001314138717 1072050494 /nfs/dbraw/zinc/05/04/94/1072050494.db2.gz YJITUBLTTOQYQR-BWKNWUBXSA-N 0 3 473.687 3.889 20 0 JHADHN CCc1ccc(-c2nnc(N3C[C@@H](C)N(CC)C[C@H]3C)n2CCN2CCOC(C)(C)C2)cc1 ZINC001305928610 1068227046 /nfs/dbraw/zinc/22/70/46/1068227046.db2.gz KSYUCUSKYKTPPD-NHCUHLMSSA-N 0 3 454.663 3.537 20 0 JHADHN CCc1ccc(-c2nnc(N3CCC(S(C)(=O)=O)CC3)n2CCN2CCCC[C@@H]2CC)cc1 ZINC001305938605 1068245225 /nfs/dbraw/zinc/24/52/25/1068245225.db2.gz GQJXSJLSFYSHQB-QFIPXVFZSA-N 0 3 473.687 3.785 20 0 JHADHN CCc1nc(CCn2c(Cc3ccc(Cl)cc3)nnc2N2C[C@H](C)N(CC)C[C@@H]2C)no1 ZINC001306020578 1068411503 /nfs/dbraw/zinc/41/15/03/1068411503.db2.gz WQXSZSMLINYRHS-IRXDYDNUSA-N 0 3 458.010 3.629 20 0 JHADHN CCc1nnc(N2CCC(C(=O)NC3CCCCC3)CC2)n1C[C@@H](c1cccc(F)c1)N(C)C ZINC001306119181 1068527178 /nfs/dbraw/zinc/52/71/78/1068527178.db2.gz VWUCFPIGNDKGGL-QHCPKHFHSA-N 0 3 470.637 3.948 20 0 JHADHN CCc1nnc(N2CC[C@H](CN(C)C(=O)OC(C)(C)C)C2)n1CCN(C)Cc1ccc(F)cc1 ZINC001306133712 1068536353 /nfs/dbraw/zinc/53/63/53/1068536353.db2.gz HMBQXDPMYXXANA-HXUWFJFHSA-N 0 3 474.625 3.805 20 0 JHADHN CCc1nnc(N2CCN(C(=O)CCC3CCCC3)CC2)n1CCN(C)Cc1ccc(F)cc1 ZINC001306186193 1068577559 /nfs/dbraw/zinc/57/75/59/1068577559.db2.gz QNEHGHLVJFTKQI-UHFFFAOYSA-N 0 3 470.637 3.731 20 0 JHADHN CCc1nnc(N2CCN(C3CCCC3)CC2)n1Cc1ccc(I)cc1 ZINC001306199799 1068592405 /nfs/dbraw/zinc/59/24/05/1068592405.db2.gz GPKIYVPIVNKWFC-UHFFFAOYSA-N 0 3 465.383 3.558 20 0 JHADHN CCc1nnc(N2CCN(Cc3ccccc3OC)CC2)n1C[C@@H](c1cccs1)N(C)C ZINC001306205538 1068596112 /nfs/dbraw/zinc/59/61/12/1068596112.db2.gz MNUDTYOJQMTIKI-FQEVSTJZSA-N 0 3 454.644 3.536 20 0 JHADHN CCc1nsc(N2CCN(c3nnc([C@@H](C)CC)n3C[C@H](c3ccc(F)cc3)N(C)C)CC2)n1 ZINC001306240272 1068638665 /nfs/dbraw/zinc/63/86/65/1068638665.db2.gz MSFDYTBTQCHWHH-FXAWDEMLSA-N 0 3 486.665 3.974 20 0 JHADHN CCc1nsc(N2CCN(c3nnc([C@H](C)CC)n3C[C@@H](c3ccc(F)cc3)N(C)C)CC2)n1 ZINC001306240274 1068638805 /nfs/dbraw/zinc/63/88/05/1068638805.db2.gz MSFDYTBTQCHWHH-XLIONFOSSA-N 0 3 486.665 3.974 20 0 JHADHN CC[C@@H]1[C@H](C)CCN1c1nnc(Cc2ccccc2OC)n1C[C@@H](C)N1CCN(CC)CC1 ZINC001306276159 1068689758 /nfs/dbraw/zinc/68/97/58/1068689758.db2.gz WPYJJSLSZYLMLJ-MQSCRBSSSA-N 0 3 454.663 3.528 20 0 JHADHN CC[C@@H]1C[C@@H](C)CN1c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCN1CCN(CC)CC1 ZINC001306303733 1068720687 /nfs/dbraw/zinc/72/06/87/1068720687.db2.gz ZQHDVGAVTQUUJE-SSGKUCQKSA-N 0 3 460.711 3.849 20 0 JHADHN CC[C@@H]1CCCCN1CCn1c([C@H]2CCCO2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 ZINC001306326551 1068764230 /nfs/dbraw/zinc/76/42/30/1068764230.db2.gz ZINHPRONOARIQV-QZTJIDSGSA-N 0 3 457.541 3.742 20 0 JHADHN CC[C@H]1CCCN(c2nnc(Cc3ccccc3C)n2CCCN2CCC[C@@H]2C(=O)N(C)C)C1 ZINC001306334551 1068772081 /nfs/dbraw/zinc/77/20/81/1068772081.db2.gz DHOIXJDLRHFFMZ-LADGPHEKSA-N 0 3 466.674 3.746 20 0 JHADHN CC[C@H]1CCCN1c1nnc([C@@H](C)Oc2ccccc2F)n1CCCN1CCN(CC)CC1 ZINC001306343537 1068780158 /nfs/dbraw/zinc/78/01/58/1068780158.db2.gz VIUFDARKMRKXRS-RTWAWAEBSA-N 0 3 458.626 3.964 20 0 JHADHN CC[C@H]1CN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CC(C)(C)N2CCC(OC)CC2)CCO1 ZINC001306393200 1068834535 /nfs/dbraw/zinc/83/45/35/1068834535.db2.gz QRMOYXQWYVYCCR-QFIPXVFZSA-N 0 3 498.672 3.652 20 0 JHADHN CC[C@H]1CN(c2nnc(-c3ccccc3Cl)n2Cc2cnccc2OC)CCN1CCOC ZINC001306415798 1068904077 /nfs/dbraw/zinc/90/40/77/1068904077.db2.gz VVMKZRDSYLFDTC-IBGZPJMESA-N 0 3 471.005 3.597 20 0 JHADHN CC/C=C/Cn1c(-c2cccc(Br)c2)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001306468513 1069009792 /nfs/dbraw/zinc/00/97/92/1069009792.db2.gz YAYFSDQHYTUEEW-OAJJDEHYSA-N 0 3 460.420 3.832 20 0 JHADHN COC(=O)c1cc(NC(=O)N(CCN(C)C)Cc2cccc(F)c2)ccc1Br ZINC001310568401 1069022413 /nfs/dbraw/zinc/02/24/13/1069022413.db2.gz RBNYVECTSJZRNI-UHFFFAOYSA-N 0 3 452.324 3.971 20 0 JHADHN CN1CCC[C@@H]1C(=O)N1CCN(C(=O)N[C@H](c2ccc(C(C)(C)C)cc2)C(F)(F)F)CC1 ZINC001310579453 1069028023 /nfs/dbraw/zinc/02/80/23/1069028023.db2.gz BCRIBQZYCKMBQG-RTBURBONSA-N 0 3 454.537 3.536 20 0 JHADHN CC/C=C\Cn1c(COc2ccc(OC)cc2)nnc1N1CCN(C2CCOCC2)C[C@H]1C ZINC001306491968 1069031041 /nfs/dbraw/zinc/03/10/41/1069031041.db2.gz ZBORUJBCKWBQOU-KKHYBRAUSA-N 0 3 455.603 3.521 20 0 JHADHN CCN1CCN(c2cccc(NC(=O)NCCc3cc4ccc(C(=O)OC)cc4o3)c2)CC1 ZINC001310597845 1069041332 /nfs/dbraw/zinc/04/13/32/1069041332.db2.gz UIJOORVFCHSUBI-UHFFFAOYSA-N 0 3 450.539 3.726 20 0 JHADHN CCC[C@@](C)(O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001306531743 1069172463 /nfs/dbraw/zinc/17/24/63/1069172463.db2.gz UNXBGCVGNDHSSI-RUZDIDTESA-N 0 3 459.635 3.824 20 0 JHADHN CCC[C@@](C)(O)Cn1c(COc2ccccc2CC)nnc1N1CCN(C2CCOCC2)C[C@@H]1C ZINC001306546529 1069204103 /nfs/dbraw/zinc/20/41/03/1069204103.db2.gz ZHFJHRVJHUIJLQ-KDYSTLNUSA-N 0 3 485.673 3.660 20 0 JHADHN C[C@@H]1[C@@H](NC(=O)N[C@@H](CCNC(=O)OC(C)(C)C)C(F)(F)F)CCN1Cc1ccccc1 ZINC001310886619 1069210038 /nfs/dbraw/zinc/21/00/38/1069210038.db2.gz PFNLEKJQWLFKRB-NJAFHUGGSA-N 0 3 458.525 3.794 20 0 JHADHN C[C@@H]1CN(Cc2ccccc2)CCN(C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C(F)(F)F)C1 ZINC001310938164 1069228063 /nfs/dbraw/zinc/22/80/63/1069228063.db2.gz PODZPRHVGJEWOT-AEFFLSMTSA-N 0 3 458.525 3.606 20 0 JHADHN CCC[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1C[C@@H](c1cccc(OC)c1)N(C)C ZINC001306577742 1069243210 /nfs/dbraw/zinc/24/32/10/1069243210.db2.gz RHBJOVYBQXAEMB-UWJYYQICSA-N 0 3 468.602 3.942 20 0 JHADHN CCC[C@@H](C)N(C)c1nnc([C@H]2CCCOC2)n1Cc1ccccc1CN1CCC(O)CC1 ZINC001306580700 1069245575 /nfs/dbraw/zinc/24/55/75/1069245575.db2.gz LTVFABXUAMYMAY-OFNKIYASSA-N 0 3 455.647 3.802 20 0 JHADHN CCCC(O)(CCC)Cn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(CC(C)C)CC1 ZINC001306596423 1069270053 /nfs/dbraw/zinc/27/00/53/1069270053.db2.gz AWUYHHGIJDFAJN-QHCPKHFHSA-N 0 3 471.646 3.900 20 0 JHADHN CCC[C@H]1CN(c2nnc(C(C)C)n2C[C@@](C)(O)c2ccccc2Cl)CCN1CCOC ZINC001306619621 1069304294 /nfs/dbraw/zinc/30/42/94/1069304294.db2.gz VVTMBZSGSVWODH-YADARESESA-N 0 3 464.054 3.900 20 0 JHADHN O=C1NCCN(C(F)(F)c2cccc(-n3cc(-c4ccccc4)c4c3ncnc4Cl)c2)C12CNC2 ZINC001164410611 718878747 /nfs/dbraw/zinc/87/87/47/718878747.db2.gz DXNBVILYWRBMIM-UHFFFAOYSA-N 0 3 494.933 3.564 20 0 JHADHN CNC(=O)CN1CCCC12CCN(c1ncnc3scc(-c4ccc(OC)cc4)c31)CC2 ZINC001164689892 719740220 /nfs/dbraw/zinc/74/02/20/719740220.db2.gz NVEPZQWSCUSFFG-UHFFFAOYSA-N 0 3 451.596 3.548 20 0 JHADHN O=C(NCCSCc1ccco1)c1cccnc1N1CC[C@H]2[C@@H]1CCN2Cc1cccnc1 ZINC001164721810 720407078 /nfs/dbraw/zinc/40/70/78/720407078.db2.gz BGVYIZAXSIVAOH-GOTSBHOMSA-N 0 3 463.607 3.586 20 0 JHADHN c1ccc(-c2ncc(N3CCN4C[C@H](Oc5cncnc5)C[C@H]4C3)nc2-c2ccccc2)cc1 ZINC001164738938 720690237 /nfs/dbraw/zinc/69/02/37/720690237.db2.gz LPIRHZYDCUXANZ-XZOQPEGZSA-N 0 3 450.546 3.943 20 0 JHADHN Clc1cccc(-c2nc3c(c(N4CCN5C[C@@H](Oc6cncnc6)C[C@H]5C4)n2)CCCC3)c1 ZINC001164742170 720787356 /nfs/dbraw/zinc/78/73/56/720787356.db2.gz CKHGQUADRFPAAI-PMACEKPBSA-N 0 3 462.985 3.808 20 0 JHADHN CN(C)Cc1nc2scc(-c3ccccc3)c2c(N2CCN3C[C@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164743525 720790965 /nfs/dbraw/zinc/79/09/65/720790965.db2.gz GMRULSXZENHWRJ-WOJBJXKFSA-N 0 3 487.633 3.552 20 0 JHADHN Fc1ccc(-c2nc(Cl)cc(N3CCN4C[C@@H](Oc5cncnc5)C[C@@H]4C3)n2)cc1Cl ZINC001164749964 720800098 /nfs/dbraw/zinc/80/00/98/720800098.db2.gz UYELXLCFMUHLNU-CABCVRRESA-N 0 3 461.328 3.721 20 0 JHADHN Cn1cc(CN2CC[C@@H]3CN(c4nc(-c5cccnc5)nc5sc6c(c54)CCC6)C[C@@H]3C2)cn1 ZINC001164765649 721202307 /nfs/dbraw/zinc/20/23/07/721202307.db2.gz IBNBPHPHVGVBOO-UXHICEINSA-N 0 3 471.634 3.934 20 0 JHADHN Cn1cc(CN2CC[C@@H]3CN([C@H](F)Oc4cccc(-c5ccc(Cl)nn5)c4)C[C@@H]3C2)cn1 ZINC001164774488 721217775 /nfs/dbraw/zinc/21/77/75/721217775.db2.gz ZTVBURXFZSVZCW-MSYCTHLASA-N 0 3 456.953 3.616 20 0 JHADHN Cc1sc2nc(CN3CCCC3)nc(N3CC[C@]4(C3)CCC[C@H](CN3CCN(C)CC3)O4)c2c1C ZINC001164891348 721435106 /nfs/dbraw/zinc/43/51/06/721435106.db2.gz GKHHXCBEVUFYQG-AMGIVPHBSA-N 0 3 498.741 3.669 20 0 JHADHN Fc1cccc(O[C@H]2C[C@@H]3CN(c4ncnc5c4CN(Cc4ccccc4)CC5)CCN3C2)c1 ZINC001164896945 721517900 /nfs/dbraw/zinc/51/79/00/721517900.db2.gz CSKSYQBPKKCFRN-VWNXMTODSA-N 0 3 459.569 3.516 20 0 JHADHN O=C(c1cc(Cl)nc(N2CCN3C[C@@H](Oc4cccc(F)c4)C[C@H]3C2)c1)N1CCCCC1 ZINC001164899756 721520829 /nfs/dbraw/zinc/52/08/29/721520829.db2.gz MINUQRPLKPBPRO-FPOVZHCZSA-N 0 3 458.965 3.842 20 0 JHADHN COc1cc2nc(Cl)nc(N3CCN4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)c2cc1OC ZINC001164905184 721525785 /nfs/dbraw/zinc/52/57/85/721525785.db2.gz GIJPHSQHMPHFJT-DOTOQJQBSA-N 0 3 458.921 3.781 20 0 JHADHN COc1ccc(OC)c(-c2ccc(N3CCN4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)nn2)c1 ZINC001164909281 721559100 /nfs/dbraw/zinc/55/91/00/721559100.db2.gz UDLZNICQSVRDSB-GHTZIAJQSA-N 0 3 450.514 3.642 20 0 JHADHN COC(=O)c1ccc2c(c1)ncnc2N1CCC(F)(F)[C@@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164907033 721586730 /nfs/dbraw/zinc/58/67/30/721586730.db2.gz QKOUHQILQJRCRK-HSZRJFAPSA-N 0 3 453.493 3.549 20 0 JHADHN FC(F)(Cc1nc2c(ncnc2Cl)s1)N1CCC2(CC1)COCCN(Cc1ccncc1)C2 ZINC001164965951 722062711 /nfs/dbraw/zinc/06/27/11/722062711.db2.gz MPNCUUICVANTLP-UHFFFAOYSA-N 0 3 494.999 3.885 20 0 JHADHN c1cn(Cc2ccccc2)c2ncnc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)c12 ZINC001164974030 722124002 /nfs/dbraw/zinc/12/40/02/722124002.db2.gz IHJCXFISMAPKKL-UKILVPOCSA-N 0 3 454.578 3.602 20 0 JHADHN FC(F)(c1nc2ccccc2nc1Cl)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164983074 722128404 /nfs/dbraw/zinc/12/84/04/722128404.db2.gz XYPDXPWYAKDTHV-PXNSSMCTSA-N 0 3 459.928 3.950 20 0 JHADHN c1cc2c(nc(-c3ccncc3)nc2N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)s1 ZINC001164982703 722152150 /nfs/dbraw/zinc/15/21/50/722152150.db2.gz SEFAHLBGWCYMLE-RBBKRZOGSA-N 0 3 458.591 3.876 20 0 JHADHN FC(F)(Oc1cc(Cl)nc(Cl)c1)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164972597 722155564 /nfs/dbraw/zinc/15/55/64/722155564.db2.gz IOUUHNLBTNJOCJ-NVXWUHKLSA-N 0 3 459.324 3.935 20 0 JHADHN COC(=O)c1cc2c(nc(Cl)nc2N2CCC[C@@]3(CCN3Cc3cccc(F)c3)C2)n1C ZINC001164996771 722207325 /nfs/dbraw/zinc/20/73/25/722207325.db2.gz WQXOYRYAXUOUKI-HSZRJFAPSA-N 0 3 457.937 3.792 20 0 JHADHN CCC[C@@H]1CN(c2nnc(-c3cccc(C)n3)n2CC2(O)CCCCCC2)CCN1CCOC ZINC001306624780 1069318993 /nfs/dbraw/zinc/31/89/93/1069318993.db2.gz RAXREPHETZNUHH-JOCHJYFZSA-N 0 3 470.662 3.671 20 0 JHADHN COc1ccc([C@@H](CNC(=O)N[C@@H](CO)c2ccccc2C(F)(F)F)N2CCCC2)cc1 ZINC001311346522 1069332386 /nfs/dbraw/zinc/33/23/86/1069332386.db2.gz QCHYRVQQXASQOB-LEWJYISDSA-N 0 3 451.489 3.884 20 0 JHADHN CCN1CCN(Cc2ccccc2CNC(=O)NC[C@@H]2CCCc3cc(OC)ccc32)CC1 ZINC001311358338 1069341913 /nfs/dbraw/zinc/34/19/13/1069341913.db2.gz RJDMTIARPOZLMG-QHCPKHFHSA-N 0 3 450.627 3.752 20 0 JHADHN Cc1cccc(N2CCN(CCCCNC(=O)N[C@@H](CCO)c3ccc(Cl)cc3)CC2)c1 ZINC001311380176 1069354019 /nfs/dbraw/zinc/35/40/19/1069354019.db2.gz IRHZNZHKOBIIFZ-DEOSSOPVSA-N 0 3 459.034 3.974 20 0 JHADHN CCC[C@@H]1CN(c2nnc(-c3ccccc3Cl)n2Cc2ccc(C)n(C)c2=O)CCN1CCOC ZINC001306649575 1069361229 /nfs/dbraw/zinc/36/12/29/1069361229.db2.gz VMZYOIHEQVKEST-OAQYLSRUSA-N 0 3 499.059 3.591 20 0 JHADHN O=C(NC1CCN(C(=O)NCCCN2CCc3ccccc3C2)CC1)OCc1ccccc1 ZINC001311404862 1069363766 /nfs/dbraw/zinc/36/37/66/1069363766.db2.gz KTLQMGIRMNHHCX-UHFFFAOYSA-N 0 3 450.583 3.535 20 0 JHADHN CC(C)Oc1ccc([C@H](CNC(=O)N[C@H](CN2CCCC2=O)c2ccccc2)N(C)C)cc1 ZINC001311405553 1069364729 /nfs/dbraw/zinc/36/47/29/1069364729.db2.gz QAMVBZOEGIVXDL-RPWUZVMVSA-N 0 3 452.599 3.739 20 0 JHADHN CC[C@H]1CN(C(=O)NCCCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)CCCO1 ZINC001311453186 1069385835 /nfs/dbraw/zinc/38/58/35/1069385835.db2.gz ZHFZMQYGQOWLML-NRFANRHFSA-N 0 3 456.553 3.818 20 0 JHADHN CCN(CC)[C@@H](CNC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1=O)c1cccc(OC)c1 ZINC001311468978 1069392407 /nfs/dbraw/zinc/39/24/07/1069392407.db2.gz GGRWLNZURNCENP-RPWUZVMVSA-N 0 3 452.599 3.521 20 0 JHADHN CCCCN(C)c1nnc(C2CCN(C(=O)OC(C)(C)C)CC2)n1CCCN1CCN(CC)CC1 ZINC001306674962 1069399495 /nfs/dbraw/zinc/39/94/95/1069399495.db2.gz MXOFJTDTKGFSLV-UHFFFAOYSA-N 0 3 491.725 3.657 20 0 JHADHN Cc1cc([C@H]2CCN(C(=O)NCc3ccc(CN4CCN(C)CC4)cc3)C2)c(O)cc1Cl ZINC001311496678 1069406429 /nfs/dbraw/zinc/40/64/29/1069406429.db2.gz OMXCHYVYISIYCW-NRFANRHFSA-N 0 3 457.018 3.801 20 0 JHADHN CCC(CC)[C@@H](CNC(=O)NC[C@@H](c1cccs1)N1CCC(C)CC1)N1CCOCC1 ZINC001311536533 1069429096 /nfs/dbraw/zinc/42/90/96/1069429096.db2.gz WWLCEBCNGYCVLT-YADHBBJMSA-N 0 3 450.693 3.957 20 0 JHADHN CCCCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1C[C@H](C)C[C@H](C)C1 ZINC001306694602 1069431315 /nfs/dbraw/zinc/43/13/15/1069431315.db2.gz JMDCHQNTFNOFDQ-HSALFYBXSA-N 0 3 453.697 3.563 20 0 JHADHN CCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001306701569 1069436780 /nfs/dbraw/zinc/43/67/80/1069436780.db2.gz SIVQEBMUJUTLIG-RXVVDRJESA-N 0 3 475.037 3.614 20 0 JHADHN CCCCn1c([C@@H]2CCCN(C(=O)OC(C)(C)C)C2)nnc1N1CCN(CC2CCOCC2)CC1 ZINC001306708793 1069443119 /nfs/dbraw/zinc/44/31/19/1069443119.db2.gz VIINVBUEPFRHPS-JOCHJYFZSA-N 0 3 490.693 3.741 20 0 JHADHN O=C(NCc1cnn(-c2ccc(Br)cc2)c1)N[C@H]1CCN(Cc2ccccc2)C1 ZINC001311578734 1069447622 /nfs/dbraw/zinc/44/76/22/1069447622.db2.gz SZACYRNSZNZAOJ-FQEVSTJZSA-N 0 3 454.372 3.709 20 0 JHADHN CSc1ccc([C@@H](CNC(=O)N[C@H](CN2CCOCC2)c2ccc(C)cc2)N(C)C)cc1 ZINC001311595645 1069456809 /nfs/dbraw/zinc/45/68/09/1069456809.db2.gz XGMXYIXLNUMGEH-DNQXCXABSA-N 0 3 456.656 3.692 20 0 JHADHN Cc1ccc([C@H](CN2CCOCC2)NC(=O)N2CCCN(Cc3ccccc3)C[C@@H]2C)cc1 ZINC001311595946 1069457480 /nfs/dbraw/zinc/45/74/80/1069457480.db2.gz YWVHZMOGQJUMDU-OZXSUGGESA-N 0 3 450.627 3.674 20 0 JHADHN CCCC[N@@H+]1CCCC[C@@H]1Cn1c(CC(C)C)nnc1N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC001306729911 1069480120 /nfs/dbraw/zinc/48/01/20/1069480120.db2.gz ZKTHFNQTVHKDKY-HSZRJFAPSA-N 0 3 482.673 3.799 20 0 JHADHN CCCC[N@H+]1CCCC[C@@H]1Cn1c(CC(C)C)nnc1N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC001306729911 1069480122 /nfs/dbraw/zinc/48/01/22/1069480122.db2.gz ZKTHFNQTVHKDKY-HSZRJFAPSA-N 0 3 482.673 3.799 20 0 JHADHN COc1ccc([C@H](Cc2ccc(F)cc2)NC(=O)N2CCN(CC3CCOCC3)CC2)cc1 ZINC001311736803 1069527447 /nfs/dbraw/zinc/52/74/47/1069527447.db2.gz BJROIPODJJHGOQ-VWLOTQADSA-N 0 3 455.574 3.872 20 0 JHADHN C[C@H]1CN(Cc2ccccc2)CCCN1C(=O)NC[C@@H](c1cccc(F)c1)N1CCOCC1 ZINC001311760439 1069535837 /nfs/dbraw/zinc/53/58/37/1069535837.db2.gz COFSTDVUBQVWGK-OFVILXPXSA-N 0 3 454.590 3.505 20 0 JHADHN CCN(C(=O)NC[C@@H](c1cccc(F)c1)N1CCOCC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001311761363 1069536390 /nfs/dbraw/zinc/53/63/90/1069536390.db2.gz JVQYQCQZXWZDHL-RPBOFIJWSA-N 0 3 454.590 3.505 20 0 JHADHN CCCCOc1ccc(-c2nnc(N3CCN(C(C)(C)C)CC3)n2CC2(O)CCC2)cc1OC ZINC001306748704 1069539300 /nfs/dbraw/zinc/53/93/00/1069539300.db2.gz KKRWAZWMDYTCBM-UHFFFAOYSA-N 0 3 471.646 3.968 20 0 JHADHN CCCCOCCCn1c(-c2cccc(Cl)c2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001306751227 1069546089 /nfs/dbraw/zinc/54/60/89/1069546089.db2.gz UPFRRVQFYOLESN-JOCHJYFZSA-N 0 3 489.064 3.548 20 0 JHADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N1CCC[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC001311804963 1069552784 /nfs/dbraw/zinc/55/27/84/1069552784.db2.gz MRHBHSZHKUHODH-AZUAARDMSA-N 0 3 454.537 3.537 20 0 JHADHN C[C@H](NC(=O)N[C@@H]1CCN(C)[C@@H]1c1ccc(F)cc1)c1cc(F)ccc1N1CCN(C)CC1 ZINC001311819208 1069559205 /nfs/dbraw/zinc/55/92/05/1069559205.db2.gz GXIWYTBDYVMXSW-VXWZWFMZSA-N 0 3 457.569 3.522 20 0 JHADHN C[C@@H]1[C@@H](NC(=O)NC[C@H](c2cccc(Cl)c2)N2CCOCC2)CCN1Cc1ccccc1 ZINC001311829777 1069567365 /nfs/dbraw/zinc/56/73/65/1069567365.db2.gz NLVYCOCKQWLYGL-VEXUSMLFSA-N 0 3 457.018 3.676 20 0 JHADHN COc1cc(Br)c(CNC(=O)N[C@H](C)CN(C)Cc2ccccc2)cc1OC ZINC001311859425 1069585020 /nfs/dbraw/zinc/58/50/20/1069585020.db2.gz VTKQFQLBCMZPBX-OAHLLOKOSA-N 0 3 450.377 3.786 20 0 JHADHN CCOc1c(Cl)cc(Cn2c(C(C)C)nnc2N2CC[C@H](N3CCN(CC)CC3)C2)cc1OC ZINC001314150951 1069611235 /nfs/dbraw/zinc/61/12/35/1069611235.db2.gz AYSVLOXMRPQQNF-FQEVSTJZSA-N 0 3 491.080 3.727 20 0 JHADHN CCCN(CC)CCn1c(-c2ccc(C)o2)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 ZINC001306807572 1069622205 /nfs/dbraw/zinc/62/22/05/1069622205.db2.gz XIKYQVFFVXJJIU-UHFFFAOYSA-N 0 3 463.648 3.516 20 0 JHADHN CCCN(Cc1ccc(F)cc1C)c1nnc(-c2cnccn2)n1CCN1CCN(C)C(C)(C)C1 ZINC001306809094 1069627249 /nfs/dbraw/zinc/62/72/49/1069627249.db2.gz SKUGSDARYIEYEP-UHFFFAOYSA-N 0 3 480.636 3.625 20 0 JHADHN CCOc1c(OC)cc(Cn2c(Cc3ccncc3)nnc2N2CCN(C(C)(C)C)CC2)cc1OC ZINC001314156452 1069627810 /nfs/dbraw/zinc/62/78/10/1069627810.db2.gz GWUALUQQWJLDHM-UHFFFAOYSA-N 0 3 494.640 3.649 20 0 JHADHN CCOc1c(OC)cc(Cn2c(-c3ccc[nH]3)nnc2N2C[C@@H](C)N(CC)C[C@H]2C)cc1OC ZINC001314158340 1069635324 /nfs/dbraw/zinc/63/53/24/1069635324.db2.gz VWZFVHHYFHRRCF-QZTJIDSGSA-N 0 3 468.602 3.656 20 0 JHADHN CCn1cc(C(=O)NCc2ccccc2CN2CCC[C@H]2CO)c(=O)c2cc(Cl)ccc21 ZINC001306824945 1069645247 /nfs/dbraw/zinc/64/52/47/1069645247.db2.gz XEOZVLVEFMYKGH-FQEVSTJZSA-N 0 3 453.970 3.562 20 0 JHADHN CCOc1cc(Cn2c(-c3ccccn3)nnc2N2CCN(C(C)(C)C)CC2)ccc1OC ZINC001314161110 1069646461 /nfs/dbraw/zinc/64/64/61/1069646461.db2.gz UEYFEKGINZAAKL-UHFFFAOYSA-N 0 3 450.587 3.716 20 0 JHADHN Cc1ccc(CNC(=O)C2CCN(C(=O)NC[C@H](C)N(C)Cc3ccccc3)CC2)cc1F ZINC001311988637 1069652178 /nfs/dbraw/zinc/65/21/78/1069652178.db2.gz JJYIPGDFAPSVJR-FQEVSTJZSA-N 0 3 454.590 3.692 20 0 JHADHN CCOc1ccc(-c2nnc(N3C[C@H](C)N(CC)C[C@@H]3C)n2C[C@H]2CC=CCO2)cc1OC ZINC001314167353 1069668939 /nfs/dbraw/zinc/66/89/39/1069668939.db2.gz FVODCGOOYRHPLC-IRFCIJBXSA-N 0 3 455.603 3.616 20 0 JHADHN O=C(NC[C@H]1CCCN1Cc1ccccc1)N[C@H]1CCN(c2ccccc2Br)C1 ZINC001312016541 1069672218 /nfs/dbraw/zinc/67/22/18/1069672218.db2.gz CFUMIADNLHOCPT-VQTJNVASSA-N 0 3 457.416 3.992 20 0 JHADHN CN(C)CCN(Cc1ccc(F)cc1)C(=O)N[C@H]1CCCC[C@@H]1CNC(=O)OC(C)(C)C ZINC001312017422 1069672937 /nfs/dbraw/zinc/67/29/37/1069672937.db2.gz KTUQFVDALQGGHR-CTNGQTDRSA-N 0 3 450.599 3.982 20 0 JHADHN Cc1cccnc1[C@H](NC(=O)N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1)C(C)C ZINC001312019152 1069673991 /nfs/dbraw/zinc/67/39/91/1069673991.db2.gz ROAGRVYJEGCIMT-LADGPHEKSA-N 0 3 450.631 3.726 20 0 JHADHN Cc1cccnc1[C@@H](NC(=O)N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1)C(C)C ZINC001312019154 1069674619 /nfs/dbraw/zinc/67/46/19/1069674619.db2.gz ROAGRVYJEGCIMT-UPVQGACJSA-N 0 3 450.631 3.726 20 0 JHADHN COc1cc(N[C@H]2CCCN(C(=O)NC[C@H]3CCCN3Cc3ccccc3)C2)cc(OC)c1 ZINC001312022709 1069675793 /nfs/dbraw/zinc/67/57/93/1069675793.db2.gz AYLXQAGWZYPTPN-JTHBVZDNSA-N 0 3 452.599 3.954 20 0 JHADHN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2CN(C(=O)NC[C@@H]3CCCN3Cc3ccccc3)C[C@H]21 ZINC001312026283 1069679639 /nfs/dbraw/zinc/67/96/39/1069679639.db2.gz RYBXFBZQUJMOOC-KAOXLYBCSA-N 0 3 456.631 3.986 20 0 JHADHN CN(C)C(=O)[C@H]1CCC[C@H](NC(=O)N(CCN(C)Cc2ccccc2)Cc2ccccc2)C1 ZINC001312027764 1069682929 /nfs/dbraw/zinc/68/29/29/1069682929.db2.gz WAZULZVXXBJJMI-DQEYMECFSA-N 0 3 450.627 3.977 20 0 JHADHN C[C@H](NC(=O)NC[C@@H]1CN(Cc2ccccc2)CCCO1)c1nc(-c2cccc(F)c2)no1 ZINC001312154298 1069753549 /nfs/dbraw/zinc/75/35/49/1069753549.db2.gz WSHRAOAYKMHMQX-LAUBAEHRSA-N 0 3 453.518 3.527 20 0 JHADHN COc1ccc([C@@H]2CCCN2C(=O)NCc2ccccc2CN2CCC(O)CC2)c(OC)c1 ZINC001312203087 1069778314 /nfs/dbraw/zinc/77/83/14/1069778314.db2.gz BWUJQAHKDHAZPX-DEOSSOPVSA-N 0 3 453.583 3.707 20 0 JHADHN CCCN1CC[C@H](Cn2c(CSc3ccc(Cl)cc3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)C1 ZINC001307047589 1069789634 /nfs/dbraw/zinc/78/96/34/1069789634.db2.gz VXGFMCHIPQAJSL-FXAWDEMLSA-N 0 3 498.118 3.579 20 0 JHADHN O=C(NCCc1nc2cc(Cl)ccc2s1)N[C@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC001312226679 1069793513 /nfs/dbraw/zinc/79/35/13/1069793513.db2.gz LJDCMACWKIDHKH-HKUYNNGSSA-N 0 3 459.015 3.674 20 0 JHADHN CCCN1CCC(N(C)c2nnc(-c3ccccc3Br)n2CC[S@@](=O)CC)CC1 ZINC001307049428 1069796850 /nfs/dbraw/zinc/79/68/50/1069796850.db2.gz KPBZLJJPPSKOTE-LJAQVGFWSA-N 0 3 482.492 3.787 20 0 JHADHN CCCN1CCCC[C@H]1Cn1c(-c2ccc(Br)s2)nnc1N1CCS(=O)CC1 ZINC001307053242 1069811028 /nfs/dbraw/zinc/81/10/28/1069811028.db2.gz BXUTUCCLMPELQA-HNNXBMFYSA-N 0 3 486.505 3.602 20 0 JHADHN CCCN1CCCC[C@@H]1Cn1c(-c2ccc(Br)s2)nnc1N1CCS(=O)CC1 ZINC001307053243 1069812381 /nfs/dbraw/zinc/81/23/81/1069812381.db2.gz BXUTUCCLMPELQA-OAHLLOKOSA-N 0 3 486.505 3.602 20 0 JHADHN CCOc1cccc(Cn2c([C@@H]3CCOC3)nnc2N2CCN(C(C)(C)C)CC2)c1OC(F)F ZINC001314211525 1069835446 /nfs/dbraw/zinc/83/54/46/1069835446.db2.gz SNSNAUNYHRSGAC-GOSISDBHSA-N 0 3 479.572 3.751 20 0 JHADHN CCOc1ccccc1Cn1c([C@@H](C)CC)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC001314214222 1069842949 /nfs/dbraw/zinc/84/29/49/1069842949.db2.gz STXXXCGGJHMDNF-JTHBVZDNSA-N 0 3 454.663 3.843 20 0 JHADHN CN(C)CCN(Cc1ccc(Br)cc1)C(=O)N[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC001312303802 1069848610 /nfs/dbraw/zinc/84/86/10/1069848610.db2.gz MCALVOSBPHUWMA-AQNXPRMDSA-N 0 3 450.421 3.870 20 0 JHADHN 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CCN(CCn1c([C@H](C)Oc2ccc(F)cc2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1)C(C)C ZINC001313801944 1071206699 /nfs/dbraw/zinc/20/66/99/1071206699.db2.gz LTOWJXKPKZDZJP-SIKLNZKXSA-N 0 3 495.665 3.691 20 0 JHADHN CCN(CCn1c([C@H](C)Oc2c(C)cc(Cl)cc2C)nnc1N1CCS(=O)CC1)C1CC1 ZINC001313803288 1071210436 /nfs/dbraw/zinc/21/04/36/1071210436.db2.gz VVDWMRCQSIPXPU-SFHVURJKSA-N 0 3 480.078 3.741 20 0 JHADHN CCc1ccc([C@@H](CNC(=O)Nc2ccccc2S(=O)(=O)N2CCCCC2)N(C)C)cc1 ZINC001310219775 1071216318 /nfs/dbraw/zinc/21/63/18/1071216318.db2.gz YJVFGDDQZXQPAU-JOCHJYFZSA-N 0 3 458.628 3.848 20 0 JHADHN CN(C)[C@@H](Cn1c(-c2cccc3cccnc32)nnc1N(C)CCCS(C)(=O)=O)C1CCCCC1 ZINC001314852533 1071227350 /nfs/dbraw/zinc/22/73/50/1071227350.db2.gz FGWKJGOTOJSBLO-QHCPKHFHSA-N 0 3 498.697 3.875 20 0 JHADHN CCN(CCn1c(-c2cccn2C)nnc1N1CC[C@H]2OCCC[C@H]2C1)CCC(F)(F)F ZINC001313810790 1071240260 /nfs/dbraw/zinc/24/02/60/1071240260.db2.gz NMTPUGIYKYFHNM-PKOBYXMFSA-N 0 3 454.541 3.563 20 0 JHADHN CCN(CCn1c(-c2ccccc2Cl)nnc1N1C[C@@H]2CCC(=O)N[C@@H]2C1)CCC(F)(F)F ZINC001313809411 1071237055 /nfs/dbraw/zinc/23/70/55/1071237055.db2.gz XSEPQBOPHUVIMD-MAUKXSAKSA-N 0 3 484.954 3.588 20 0 JHADHN CCN(CCn1c(-c2ccccc2F)nnc1N1CCC[C@H](C(=O)NC2CC2)C1)CCC(F)(F)F ZINC001313809393 1071237151 /nfs/dbraw/zinc/23/71/51/1071237151.db2.gz XHYPOYQHLHWWEF-KRWDZBQOSA-N 0 3 496.553 3.854 20 0 JHADHN CCN(CCn1c(-c2cccnc2)nnc1N1CCOC[C@H](C2CCC2)C1)CCC(F)(F)F ZINC001313811098 1071244448 /nfs/dbraw/zinc/24/44/48/1071244448.db2.gz SDARTFUKBNKRFW-HXUWFJFHSA-N 0 3 466.552 3.867 20 0 JHADHN CCN(CCn1c(-c2ccc3c(c2)OCO3)nnc1N(C)C[C@@H]1CCCOC1)CCC(F)(F)F ZINC001313811460 1071246284 /nfs/dbraw/zinc/24/62/84/1071246284.db2.gz AWARRGMRZZQXOK-KRWDZBQOSA-N 0 3 483.535 3.811 20 0 JHADHN CN(CCn1c(C2CCCC2)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1)Cc1ccccc1 ZINC001314860460 1071250682 /nfs/dbraw/zinc/25/06/82/1071250682.db2.gz HHBLKLIQZFKUHW-HXUWFJFHSA-N 0 3 478.563 3.573 20 0 JHADHN 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BPOKHELCSGRNSX-UHFFFAOYSA-N 0 3 480.632 3.796 20 0 JHADHN CCn1cccc(Cn2c(COc3cc(C)ccc3C)nnc2N2CCN(C(C)(C)C)CC2)c1=O ZINC001313850066 1071346439 /nfs/dbraw/zinc/34/64/39/1071346439.db2.gz ONCUVMYTTFKEHL-UHFFFAOYSA-N 0 3 478.641 3.624 20 0 JHADHN O=C(NCC1(O)CCN(Cc2ccccc2)CC1)Nc1cnn(Cc2ccc(Cl)cc2)c1 ZINC001310384994 1071357646 /nfs/dbraw/zinc/35/76/46/1071357646.db2.gz MYFWLYAKQQWETQ-UHFFFAOYSA-N 0 3 453.974 3.733 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2Cc2cccc(Cl)c2)C[C@@H]1C ZINC001313857349 1071356410 /nfs/dbraw/zinc/35/64/10/1071356410.db2.gz AOVDZDWUOHZXFM-DLBZAZTESA-N 0 3 453.978 3.546 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3cccc(Br)c3)n2CCCO[C@H]2CCOC2)C[C@@H]1C ZINC001313859497 1071364656 /nfs/dbraw/zinc/36/46/56/1071364656.db2.gz GVJPSGMULORWBD-WFXMLNOXSA-N 0 3 492.462 3.822 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(-c3cc(Br)c[nH]3)n2CC2CC(F)(F)C2)C[C@H]1C ZINC001313860090 1071367320 /nfs/dbraw/zinc/36/73/20/1071367320.db2.gz IZPUGAWUMJGNJS-CHWSQXEVSA-N 0 3 457.367 4.000 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCC2CCOCC2)C[C@@H]1C ZINC001313861209 1071372686 /nfs/dbraw/zinc/37/26/86/1071372686.db2.gz PHPNCIYJEDVGPQ-OALUTQOASA-N 0 3 489.064 3.597 20 0 JHADHN CN1CCN(CCn2c(CCOc3ccccc3)nnc2N2CCCCCCC2)CC1(C)C ZINC001314930496 1071373494 /nfs/dbraw/zinc/37/34/94/1071373494.db2.gz GNPMWVKHBLPYPG-UHFFFAOYSA-N 0 3 454.663 3.696 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@](C)(OC)C2CC2)C[C@H]1C ZINC001313861286 1071373815 /nfs/dbraw/zinc/37/38/15/1071373815.db2.gz QDWLSSRMQXAQNF-FUMQJTLXSA-N 0 3 489.064 3.596 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@](C)(OC)C2CC2)C[C@H]1C ZINC001313861288 1071374436 /nfs/dbraw/zinc/37/44/36/1071374436.db2.gz QDWLSSRMQXAQNF-UZEJHQAJSA-N 0 3 489.064 3.596 20 0 JHADHN CCN1C[C@H](C)N(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2CCCc2cnn(C)n2)C[C@@H]1C ZINC001313862358 1071375945 /nfs/dbraw/zinc/37/59/45/1071375945.db2.gz PYVZNRALSVDYIJ-JAXLGGSGSA-N 0 3 480.661 3.715 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2CCc2ccc(Cl)c(OC)c2)C[C@@H]1C ZINC001313862253 1071376263 /nfs/dbraw/zinc/37/62/63/1071376263.db2.gz SIFKPABZZNXWMJ-ROUUACIJSA-N 0 3 498.031 3.749 20 0 JHADHN CN1CCN(CCn2c(CC3CCCC3)nnc2N2CCO[C@@](C)(C(C)(C)C)C2)CC1(C)C ZINC001314931814 1071376801 /nfs/dbraw/zinc/37/68/01/1071376801.db2.gz WJYSGFZYWXJQCN-AREMUKBSSA-N 0 3 460.711 3.678 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(-c3cnn(C)c3)n2CCc2cc(Br)ccc2F)C[C@H]1C ZINC001313864013 1071384287 /nfs/dbraw/zinc/38/42/87/1071384287.db2.gz LHNDFRXYFVMWAR-HZPDHXFCSA-N 0 3 490.425 3.742 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3cccc(C)n3)n2CCCCNC(=O)OC(C)(C)C)C[C@@H]1C ZINC001313864804 1071388501 /nfs/dbraw/zinc/38/85/01/1071388501.db2.gz NFULPGVEDTUJSV-PMACEKPBSA-N 0 3 471.650 3.872 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCc2cccs2)C[C@H]1C ZINC001313864200 1071386115 /nfs/dbraw/zinc/38/61/15/1071386115.db2.gz YAERXDBDPMYLJB-MSOLQXFVSA-N 0 3 473.668 3.572 20 0 JHADHN CCN1C[C@H](C)N(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CC2(O)CCOCC2)C[C@@H]1C ZINC001313864455 1071387305 /nfs/dbraw/zinc/38/73/05/1071387305.db2.gz VCEZWNZXGVFTPA-GBESFXJTSA-N 0 3 478.037 3.532 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(-c3ccc(Cl)nc3)n2CCc2nccc(C(F)(F)F)n2)C[C@H]1C ZINC001313864793 1071388240 /nfs/dbraw/zinc/38/82/40/1071388240.db2.gz HDAFAVRSSUKYIY-HUUCEWRRSA-N 0 3 494.953 3.964 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3ccc(Cl)nc3)n2CCc2nccc(C(F)(F)F)n2)C[C@H]1C ZINC001313864773 1071388280 /nfs/dbraw/zinc/38/82/80/1071388280.db2.gz HDAFAVRSSUKYIY-CABCVRRESA-N 0 3 494.953 3.964 20 0 JHADHN CCN1C[C@H](C)N(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCC(=O)NC(C)(C)C)C[C@H]1C ZINC001313865216 1071391260 /nfs/dbraw/zinc/39/12/60/1071391260.db2.gz WNTKDWWFKBYLAY-QYZOEREBSA-N 0 3 474.625 3.781 20 0 JHADHN CCN1C[C@H](C)N(c2nnc([C@H](C)Oc3ccccc3F)n2CCCN2CCCCC2=O)C[C@H]1C ZINC001313865152 1071391412 /nfs/dbraw/zinc/39/14/12/1071391412.db2.gz WKSMLLGENFWTOH-HKBOAZHASA-N 0 3 486.636 3.879 20 0 JHADHN CCN1C[C@H](C)N(c2nnc([C@@H](C)Oc3ccccc3F)n2CC2CCN(C(C)=O)CC2)C[C@@H]1C ZINC001313865746 1071393206 /nfs/dbraw/zinc/39/32/06/1071393206.db2.gz XICKWROYDRJMBC-SLFFLAALSA-N 0 3 486.636 3.735 20 0 JHADHN CCn1cccc(Cn2c(-c3ccccc3Br)nnc2N2C[C@H](C)N(CC)C[C@@H]2C)c1=O ZINC001313865120 1071390414 /nfs/dbraw/zinc/39/04/14/1071390414.db2.gz HWEWVLWNQNBRMY-ROUUACIJSA-N 0 3 499.457 3.856 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(CCc3ccc(OC)cc3)n2C[C@@H]2CCC[C@H]2OC)C[C@H]1C ZINC001313867032 1071397171 /nfs/dbraw/zinc/39/71/71/1071397171.db2.gz IALCDNYYKTYUKS-CETSDDCJSA-N 0 3 455.647 3.806 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(-c3ccc(Cl)cc3Cl)n2CCOCCOC)C[C@@H]1C ZINC001313867126 1071398227 /nfs/dbraw/zinc/39/82/27/1071398227.db2.gz LMPKNIMFJLTFEI-JKSUJKDBSA-N 0 3 456.418 3.834 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@H]2CCO[C@H]2C(C)C)C[C@H]1C ZINC001313867135 1071398403 /nfs/dbraw/zinc/39/84/03/1071398403.db2.gz LPMNFQIRVPMCRU-HGBASVHRSA-N 0 3 471.646 3.942 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(CCCOc3ccc(Cl)cc3C)n2CC2(O)CC2)C[C@@H]1C ZINC001313867176 1071399085 /nfs/dbraw/zinc/39/90/85/1071399085.db2.gz IAPPXLCRWUMMCN-OALUTQOASA-N 0 3 462.038 3.695 20 0 JHADHN CCN1C[C@H](C)N(c2nnc([C@@H]3CCCOC3)n2Cc2cc(Cl)c(OC)c(OC)c2)C[C@@H]1C ZINC001313867406 1071400120 /nfs/dbraw/zinc/40/01/20/1071400120.db2.gz KGAZRQZGGZYCEU-JENIJYKNSA-N 0 3 478.037 3.810 20 0 JHADHN CCN1C[C@H](C)N(c2nnc([C@H]3CCCOC3)n2Cc2cccc(C(F)(F)F)n2)C[C@@H]1C ZINC001313868005 1071401511 /nfs/dbraw/zinc/40/15/11/1071401511.db2.gz LPGPLYUSWCGNHP-ULQDDVLXSA-N 0 3 452.525 3.553 20 0 JHADHN CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccc3ccccc3n2)n1C[C@@H](c1ccsc1)N(C)C ZINC001314945223 1071402076 /nfs/dbraw/zinc/40/20/76/1071402076.db2.gz IGDTZMFIFKCRCR-JTSKRJEESA-N 0 3 477.638 3.676 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(CC(C)(C)C)n2Cc2ccc(OC)c(OC)c2OC)C[C@H]1C ZINC001313868141 1071402564 /nfs/dbraw/zinc/40/25/64/1071402564.db2.gz MKAAYVAJFQNBBX-QZTJIDSGSA-N 0 3 459.635 3.860 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@@H]2C[C@H]2C)C[C@@H]1C ZINC001313868682 1071405256 /nfs/dbraw/zinc/40/52/56/1071405256.db2.gz NAIXIAAWWBYISG-JKBKZWBZSA-N 0 3 460.667 3.968 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CCC2(O)CCC2)C[C@@H]1C ZINC001313869711 1071410358 /nfs/dbraw/zinc/41/03/58/1071410358.db2.gz PUQDYLQXQJXCJT-PMACEKPBSA-N 0 3 490.693 3.617 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(CC(C)C)n2Cc2ccc(CN3CCCC3=O)cc2)C[C@@H]1C ZINC001313868995 1071407449 /nfs/dbraw/zinc/40/74/49/1071407449.db2.gz CBJSKHGTESTUBU-SFTDATJTSA-N 0 3 452.647 3.566 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(C3CCN(c4ncccn4)CC3)n2CCCCOC(C)C)C[C@@H]1C ZINC001313869275 1071408355 /nfs/dbraw/zinc/40/83/55/1071408355.db2.gz PBGPQRYMOUOBCQ-FCHUYYIVSA-N 0 3 484.693 3.576 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3cccnc3)n2CC2CCN(CC(F)(F)F)CC2)C[C@@H]1C ZINC001313870902 1071415822 /nfs/dbraw/zinc/41/58/22/1071415822.db2.gz FXPVRXPFIDLOHS-ROUUACIJSA-N 0 3 465.568 3.533 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(-c3ccc(Cl)nc3)n2Cc2cccc(C(=O)N(C)C)c2)C[C@H]1C ZINC001313871474 1071416803 /nfs/dbraw/zinc/41/68/03/1071416803.db2.gz UAKFLDMPYCBQSW-QZTJIDSGSA-N 0 3 482.032 3.663 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(Cc3ccc(Cl)cc3)n2CCSCCCO)C[C@@H]1C ZINC001313871684 1071418306 /nfs/dbraw/zinc/41/83/06/1071418306.db2.gz GYDXCBMWUFPLDT-ZWKOTPCHSA-N 0 3 452.068 3.557 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(-c3ccc(OC)cc3OC)n2Cc2nccc(C(F)F)n2)C[C@@H]1C ZINC001313871555 1071417414 /nfs/dbraw/zinc/41/74/14/1071417414.db2.gz UJZXGAVLKMJGHT-JKSUJKDBSA-N 0 3 487.555 3.657 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(CN3CCCC3=O)n2C[C@@H]2CCCC[C@@H]2C(F)(F)F)C[C@@H]1C ZINC001313873109 1071424891 /nfs/dbraw/zinc/42/48/91/1071424891.db2.gz CFMCOYKEPWNFBR-VJANTYMQSA-N 0 3 470.584 3.688 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(Cc3c(F)cccc3F)n2CCNC(=O)c2cccs2)C[C@H]1C ZINC001313874135 1071427191 /nfs/dbraw/zinc/42/71/91/1071427191.db2.gz MWDTXZKPUXMVSN-SJORKVTESA-N 0 3 488.608 3.558 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(Cc3c(F)cccc3F)n2CCCn2ccnc2C)C[C@@H]1C ZINC001313874416 1071428707 /nfs/dbraw/zinc/42/87/07/1071428707.db2.gz NVGCSYNDNLJVIX-ZWKOTPCHSA-N 0 3 457.573 3.661 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(CNC(=O)c3cccs3)n2CCOc2ccc(C)cc2)C[C@@H]1C ZINC001313874767 1071430433 /nfs/dbraw/zinc/43/04/33/1071430433.db2.gz KBDDVWIMXPIOON-VQTJNVASSA-N 0 3 482.654 3.576 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(COc3cccc(C)c3)n2CCCN(C)CC(F)(F)F)C[C@@H]1C ZINC001313876485 1071438498 /nfs/dbraw/zinc/43/84/98/1071438498.db2.gz OYEFLJOHPSSVCK-VQTJNVASSA-N 0 3 482.595 3.969 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(COc3ccc(C)c(C)c3)n2CCNC(=O)OC(C)(C)C)C[C@H]1C ZINC001313876512 1071438519 /nfs/dbraw/zinc/43/85/19/1071438519.db2.gz PBRVDGLJCIHKKR-RTWAWAEBSA-N 0 3 486.661 3.918 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(-c3ccccc3C)n2Cc2ccc(OC)nc2OC)C[C@@H]1C ZINC001313877268 1071439232 /nfs/dbraw/zinc/43/92/32/1071439232.db2.gz VRMHETZRMBGRRM-RBUKOAKNSA-N 0 3 450.587 3.633 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(COc3cccc(C)c3)n2CC(=O)NC2CCCCC2)C[C@@H]1C ZINC001313875484 1071434853 /nfs/dbraw/zinc/43/48/53/1071434853.db2.gz LYCVRXGBMFXZBW-LEWJYISDSA-N 0 3 468.646 3.533 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(COc3ccc(Cl)cc3)n2CCn2cc(C)cn2)C[C@H]1C ZINC001313878750 1071445432 /nfs/dbraw/zinc/44/54/32/1071445432.db2.gz VIPWJARQTQNKBT-MOPGFXCFSA-N 0 3 458.010 3.635 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(-c3ccccn3)n2CCc2c(OC)cc(OC)cc2OC)C[C@@H]1C ZINC001313877348 1071441571 /nfs/dbraw/zinc/44/15/71/1071441571.db2.gz XDHVMXBMVSAGAI-RBUKOAKNSA-N 0 3 480.613 3.528 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(COc3ccc(C(C)(C)C)cc3)n2CC(C)(C)C(=O)NC)C[C@H]1C ZINC001313877582 1071442482 /nfs/dbraw/zinc/44/24/82/1071442482.db2.gz RHJJDFRHZJWQBI-WOJBJXKFSA-N 0 3 484.689 3.846 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(COc3ccc(Cl)cc3)n2CCn2cc(C)cn2)C[C@H]1C ZINC001313878755 1071445872 /nfs/dbraw/zinc/44/58/72/1071445872.db2.gz VIPWJARQTQNKBT-RTBURBONSA-N 0 3 458.010 3.635 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(COc3ccc(Br)cc3)n2C[C@H]2CCCOC2)C[C@H]1C ZINC001313878340 1071444522 /nfs/dbraw/zinc/44/45/22/1071444522.db2.gz UHRDZQYIOHSZTN-CEXWTWQISA-N 0 3 492.462 3.965 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(CNC(=O)c3cccs3)n2Cc2sccc2C)C[C@@H]1C ZINC001313879106 1071446725 /nfs/dbraw/zinc/44/67/25/1071446725.db2.gz XTNJAQMOZHJGFD-IRXDYDNUSA-N 0 3 458.657 3.607 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(Cc3ccccc3C)n2CCNC(=O)OC(C)(C)C)C[C@@H]1C ZINC001313879240 1071448643 /nfs/dbraw/zinc/44/86/43/1071448643.db2.gz ZEKXZGNFVSTCDQ-VQTJNVASSA-N 0 3 456.635 3.621 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc([C@H]3OCC[C@H]3COC)n2CCC2(COC)CCCC2)C[C@H]1C ZINC001313884825 1071464062 /nfs/dbraw/zinc/46/40/62/1071464062.db2.gz NPWPDODBCLSXGR-CZYKHXBRSA-N 0 3 463.667 3.518 20 0 JHADHN CCN1C[C@H](C)N(c2nnc([C@H]3OCC[C@H]3COC)n2CCc2ccc(C)cc2C)C[C@@H]1C ZINC001313885381 1071465944 /nfs/dbraw/zinc/46/59/44/1071465944.db2.gz OTYFHEVEUFRFFU-WMIMKTLMSA-N 0 3 455.647 3.781 20 0 JHADHN CNC(=O)c1ccc(CN(C)c2nnc(C3CCC3)n2C[C@H](c2cccs2)N(C)C)cc1 ZINC001314976105 1071466900 /nfs/dbraw/zinc/46/69/00/1071466900.db2.gz HWHBQQKBNCLVQY-HXUWFJFHSA-N 0 3 452.628 3.906 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(COc3ccccc3OC)n2Cc2cnn(CC(C)C)c2C)C[C@@H]1C ZINC001313885871 1071468163 /nfs/dbraw/zinc/46/81/63/1071468163.db2.gz QRPAJWKOPLFQDT-SFTDATJTSA-N 0 3 495.672 3.994 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(CSc3ccc(C)cc3)n2CCCC(=O)N(C)C)C[C@@H]1C ZINC001313888551 1071477812 /nfs/dbraw/zinc/47/78/12/1071477812.db2.gz WOWZXXSFAHRSOG-PMACEKPBSA-N 0 3 458.676 3.666 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(-c3cc(Br)c[nH]3)nnc2N(C)Cc2ccoc2C)CC1 ZINC001313919440 1071556809 /nfs/dbraw/zinc/55/68/09/1071556809.db2.gz BNLCEIHIENTZSW-MRXNPFEDSA-N 0 3 490.450 3.600 20 0 JHADHN CCN1CCN([C@H](C)Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N(C)[C@H]2CCSC2)CC1 ZINC001313919411 1071556852 /nfs/dbraw/zinc/55/68/52/1071556852.db2.gz AVJSTNMKCBWMOT-DYXWJJEUSA-N 0 3 476.666 3.525 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(-c3ccc(C(C)(C)C)cc3)nnc2N(C)Cc2cnn(C)c2C)CC1 ZINC001313921320 1071561211 /nfs/dbraw/zinc/56/12/11/1071561211.db2.gz PQKHNOHGFLDFJH-NRFANRHFSA-N 0 3 492.716 3.947 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2CCC=C(C)C2)CC1 ZINC001313922963 1071565612 /nfs/dbraw/zinc/56/56/12/1071565612.db2.gz ZAAHUMWSXJUNNU-SFTDATJTSA-N 0 3 456.610 3.740 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(-c3ccccc3F)nnc2N2CCC[C@H](OCC(F)(F)F)C2)CC1 ZINC001313924392 1071570192 /nfs/dbraw/zinc/57/01/92/1071570192.db2.gz DSSWZXGBFSSKLN-MOPGFXCFSA-N 0 3 498.569 3.658 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(-c3ccc(OC)cc3)nnc2N(C)[C@H](C)c2ccco2)CC1 ZINC001313923921 1071568723 /nfs/dbraw/zinc/56/87/23/1071568723.db2.gz AVADEBNFYVMBNJ-WOJBJXKFSA-N 0 3 452.603 3.770 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(CC(C)(C)C)nnc2N2CC[C@H](Cc3ccccc3)C2)CC1 ZINC001313925823 1071574998 /nfs/dbraw/zinc/57/49/98/1071574998.db2.gz BBBKQQFSABBHFX-ISKFKSNPSA-N 0 3 452.691 3.962 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(CC(C)(C)C)nnc2N2CC[C@@H](Cc3ccccc3)C2)CC1 ZINC001313925825 1071575021 /nfs/dbraw/zinc/57/50/21/1071575021.db2.gz BBBKQQFSABBHFX-UPVQGACJSA-N 0 3 452.691 3.962 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(C3CC3)nnc2N(C)Cc2csc(Br)c2)CC1 ZINC001313926063 1071575035 /nfs/dbraw/zinc/57/50/35/1071575035.db2.gz BSPNPHNNQARLMV-HNNXBMFYSA-N 0 3 467.481 3.642 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(-c3ccc(OC)cc3OC)nnc2N2C[C@H](C)CC[C@@H]2C)CC1 ZINC001313926304 1071576329 /nfs/dbraw/zinc/57/63/29/1071576329.db2.gz WZDWSTMOGCXTKI-QHAWAJNXSA-N 0 3 470.662 3.613 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(-c3ccc(C)o3)nnc2N2CCC(Cl)=C(Cl)C2)CC1 ZINC001313927092 1071579365 /nfs/dbraw/zinc/57/93/65/1071579365.db2.gz ZYXCXLOBJJTDMN-OAHLLOKOSA-N 0 3 453.418 3.772 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(Cc3ccccc3F)nnc2N(C)C[C@H]2CC=CCC2)CC1 ZINC001313927357 1071580170 /nfs/dbraw/zinc/58/01/70/1071580170.db2.gz JWMVXVZLZFFGTI-VXKWHMMOSA-N 0 3 454.638 3.827 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(COc3cccc(C)c3)nnc2N2CCC(C)=C(C)C2)CC1 ZINC001313927579 1071580652 /nfs/dbraw/zinc/58/06/52/1071580652.db2.gz MJFSJFNUXNGQCZ-HSZRJFAPSA-N 0 3 452.647 3.738 20 0 JHADHN CCN1CCN([C@H](C)Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCCC[C@H](SC)C2)CC1 ZINC001313927860 1071581857 /nfs/dbraw/zinc/58/18/57/1071581857.db2.gz PKRCZOXRBBYQGN-KAOXLYBCSA-N 0 3 492.778 3.945 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(C3CCCC3)nnc2N(C)Cc2ccc(Br)o2)CC1 ZINC001313928009 1071581881 /nfs/dbraw/zinc/58/18/81/1071581881.db2.gz LDZCOVDFOSDQIH-QGZVFWFLSA-N 0 3 479.467 3.954 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(COc3ccc(C)cc3)nnc2N2C[C@@H](C)C(F)(F)[C@@H](C)C2)CC1 ZINC001313928127 1071582449 /nfs/dbraw/zinc/58/24/49/1071582449.db2.gz QOMXDUTYPCYDOS-BDTNDASRSA-N 0 3 490.643 3.919 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(COc3ccc(C)cc3)nnc2N2C[C@@H](C)C(F)(F)[C@@H](C)C2)CC1 ZINC001313928128 1071582560 /nfs/dbraw/zinc/58/25/60/1071582560.db2.gz QOMXDUTYPCYDOS-BHIFYINESA-N 0 3 490.643 3.919 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(COc3ccc(C)c(C)c3)nnc2N2CCC[C@](C)(OC)C2)CC1 ZINC001313928281 1071583293 /nfs/dbraw/zinc/58/32/93/1071583293.db2.gz TYSXSBDMKVDHQW-KCWPFWIISA-N 0 3 484.689 3.505 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(COc3cc(C)cc(C)c3)nnc2N2CCS[C@H](C)[C@@H]2C)CC1 ZINC001313929322 1071586849 /nfs/dbraw/zinc/58/68/49/1071586849.db2.gz YYTKTVDVYMMPCZ-XPWALMASSA-N 0 3 486.730 3.830 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(COc3ccc(C)c(C)c3)nnc2N2CCSC(C)(C)C2)CC1 ZINC001313929067 1071586158 /nfs/dbraw/zinc/58/61/58/1071586158.db2.gz XDXHHADDGFPSJP-QFIPXVFZSA-N 0 3 486.730 3.832 20 0 JHADHN CCN1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CCn2ccnc2C)C[C@H]1C ZINC001313931296 1071592078 /nfs/dbraw/zinc/59/20/78/1071592078.db2.gz QVXZTSGVGGJTBI-QZTJIDSGSA-N 0 3 458.010 3.807 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(Cc3ccc(F)cc3)nnc2N2CCS[C@@H](C(C)C)C2)CC1 ZINC001313930073 1071587971 /nfs/dbraw/zinc/58/79/71/1071587971.db2.gz VAGBLAMIPFKTLN-NFBKMPQASA-N 0 3 474.694 3.612 20 0 JHADHN CCN(Cc1c(F)cccc1F)c1nnc([C@H]2CCCCO2)n1C[C@@H](C)N1CCN(CC)CC1 ZINC001313933517 1071597734 /nfs/dbraw/zinc/59/77/34/1071597734.db2.gz ZKDNPCGSKNNNNX-AUSIDOKSSA-N 0 3 476.616 3.850 20 0 JHADHN CCN1CCN([C@@H]2CCN(c3nnc(C(C)C)n3C[C@@H](OC(C)C)c3ccccc3OC)C2)CC1 ZINC001313944252 1071624510 /nfs/dbraw/zinc/62/45/10/1071624510.db2.gz ZBJCAMXXXJHNCO-RCZVLFRGSA-N 0 3 484.689 3.793 20 0 JHADHN CCN1CCN([C@H]2CCN(c3nnc(CC(C)C)n3Cc3sccc3Br)C2)CC1 ZINC001313946931 1071630526 /nfs/dbraw/zinc/63/05/26/1071630526.db2.gz IAHWOSBKHUKOEA-KRWDZBQOSA-N 0 3 481.508 3.565 20 0 JHADHN CCN1CCN(C[C@@H](C)Cn2c(Cc3ccsc3)nnc2N(C)Cc2ccsc2)CC1 ZINC001313955775 1071656671 /nfs/dbraw/zinc/65/66/71/1071656671.db2.gz IIVLAHIRESIZDH-LJQANCHMSA-N 0 3 458.701 3.902 20 0 JHADHN CCN1CCN(C[C@@H](C)Cn2c([C@H]3CCOC3)nnc2N(C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC001313955922 1071656806 /nfs/dbraw/zinc/65/68/06/1071656806.db2.gz WEKCRGUPQIFGNV-CTNGQTDRSA-N 0 3 494.606 3.711 20 0 JHADHN CCN1CCN(C[C@H](C)Cn2c(CC(C)C)nnc2N2CCC(c3ccc(O)cc3)CC2)CC1 ZINC001313955786 1071656822 /nfs/dbraw/zinc/65/68/22/1071656822.db2.gz IMNHQHBTONDLOD-QFIPXVFZSA-N 0 3 468.690 3.840 20 0 JHADHN CCN1CCN(C[C@@H](C)Cn2c(CC3CCCC3)nnc2N2C[C@@H](C)[C@H](C(F)(F)F)C2)CC1 ZINC001313955028 1071654115 /nfs/dbraw/zinc/65/41/15/1071654115.db2.gz DJYITGONVRNODR-SFHLNBCPSA-N 0 3 470.628 3.919 20 0 JHADHN CCN1CCN(C[C@H](C)Cn2c([C@H]3CCOC3)nnc2N(C)[C@@H](C)c2ccc(F)c(F)c2)CC1 ZINC001313955278 1071654853 /nfs/dbraw/zinc/65/48/53/1071654853.db2.gz QXGZVVADKOPXMI-ZJOUEHCJSA-N 0 3 476.616 3.531 20 0 JHADHN CCN1CCN(C[C@H](C)Cn2c(CC(C)(C)C)nnc2N2CCC(Cn3nc(C)cc3C)CC2)CC1 ZINC001313956083 1071657515 /nfs/dbraw/zinc/65/75/15/1071657515.db2.gz KCCISERSGCJKCJ-QFIPXVFZSA-N 0 3 498.764 3.870 20 0 JHADHN CCN1CCN(CCCn2c(CC(C)(C)C)nnc2N(C)Cc2ccc(OC)c(F)c2)CC1 ZINC001313957136 1071659442 /nfs/dbraw/zinc/65/94/42/1071659442.db2.gz QCVIFVVKVOQKBI-UHFFFAOYSA-N 0 3 460.642 3.678 20 0 JHADHN CCN1CCN(CCCn2c([C@@H]3CCCCO3)nnc2N(C)[C@H](C)c2ccc(OC)cc2)CC1 ZINC001313957537 1071660708 /nfs/dbraw/zinc/66/07/08/1071660708.db2.gz WAMYMPDWLJBXTK-QPPBQGQZSA-N 0 3 470.662 3.753 20 0 JHADHN CCN1CCN(CCCn2c([C@@H]3CCCCO3)nnc2N(C)[C@@H](C)c2ccc(OC)cc2)CC1 ZINC001313957538 1071660806 /nfs/dbraw/zinc/66/08/06/1071660806.db2.gz WAMYMPDWLJBXTK-URXFXBBRSA-N 0 3 470.662 3.753 20 0 JHADHN CCN1CCN(C[C@@H](C)Cn2c(Cc3ccsc3)nnc2N2CCO[C@@](C)(C(C)(C)C)C2)CC1 ZINC001313957955 1071662388 /nfs/dbraw/zinc/66/23/88/1071662388.db2.gz SRTWGGXVOZBXKH-QFQXNSOFSA-N 0 3 488.746 3.845 20 0 JHADHN CCN1CCN(C[C@@H](C)Cn2c(Cc3csc(C)n3)nnc2N2CC[C@](C)(CC)C2)CC1 ZINC001313958471 1071664137 /nfs/dbraw/zinc/66/41/37/1071664137.db2.gz XCIKGDCSGURNBY-DVECYGJZSA-N 0 3 459.708 3.534 20 0 JHADHN CCN1CCN(CCCn2c(Cc3ccccc3C)nnc2N(C)[C@H](C)c2ccco2)CC1 ZINC001313960109 1071668583 /nfs/dbraw/zinc/66/85/83/1071668583.db2.gz DQYOYDCAHNUBSN-JOCHJYFZSA-N 0 3 450.631 3.995 20 0 JHADHN CCN1CCN(C[C@H](C)Cn2c(CC(C)(C)C)nnc2N(C)CC(=O)Nc2cccc(C)c2C)CC1 ZINC001313958785 1071664685 /nfs/dbraw/zinc/66/46/85/1071664685.db2.gz YBGKMBYLEKULAL-NRFANRHFSA-N 0 3 497.732 3.832 20 0 JHADHN CCN1CCN(C[C@@H](C)Cn2c(Cc3ccccn3)nnc2N2CCC(CC)(CC)C2)CC1 ZINC001313959098 1071665729 /nfs/dbraw/zinc/66/57/29/1071665729.db2.gz ZKKJFOQFYXFLNF-JOCHJYFZSA-N 0 3 453.679 3.554 20 0 JHADHN CCN1CCN(CCCn2c(C(C)C)nnc2N2CCC(OC3CCC(C)CC3)CC2)CC1 ZINC001313960363 1071669960 /nfs/dbraw/zinc/66/99/60/1071669960.db2.gz JWKAPXFROLUASF-UHFFFAOYSA-N 0 3 460.711 3.993 20 0 JHADHN CCN1CCN(CCCn2c(COc3ccc(F)cc3)nnc2N2CC[C@@H](C)[C@@H](C)C2)CC1 ZINC001313961082 1071671676 /nfs/dbraw/zinc/67/16/76/1071671676.db2.gz QBZGGNSBVXGFCI-RTWAWAEBSA-N 0 3 458.626 3.506 20 0 JHADHN CCN1CCN(CCCn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2CCC=C(C)C2)CC1 ZINC001313961232 1071672144 /nfs/dbraw/zinc/67/21/44/1071672144.db2.gz RVJSTSLXJGEETJ-NRFANRHFSA-N 0 3 456.610 3.741 20 0 JHADHN CCN1CCN(CCCn2c(COc3cc(C)cc(C)c3)nnc2N2C[C@H](C)S[C@@H](C)C2)CC1 ZINC001313961541 1071672682 /nfs/dbraw/zinc/67/26/82/1071672682.db2.gz ULJOYISSJOQPAB-GOTSBHOMSA-N 0 3 486.730 3.832 20 0 JHADHN CCN1CCN(CCCn2c(CSc3ccc(C)cc3)nnc2N2CCO[C@@H](C(C)C)C2)CC1 ZINC001313961526 1071672822 /nfs/dbraw/zinc/67/28/22/1071672822.db2.gz UFOQIVXXJLYBPQ-XMMPIXPASA-N 0 3 486.730 3.768 20 0 JHADHN CCNC(=O)c1cccc(Cn2c(Cc3ccsc3)nnc2N2C[C@@H](C)N(CC)C[C@@H]2C)c1 ZINC001313984929 1071722679 /nfs/dbraw/zinc/72/26/79/1071722679.db2.gz INVSNOLCCXGDNI-MOPGFXCFSA-N 0 3 466.655 3.647 20 0 JHADHN CCOC(=O)N1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H](c2ccsc2)N(CC)CC)CC1 ZINC001314024025 1071780785 /nfs/dbraw/zinc/78/07/85/1071780785.db2.gz ZYAKDKUOMZTELK-FPOVZHCZSA-N 0 3 490.674 3.595 20 0 JHADHN CCOC(=O)N[C@H](CC(C)C)Cn1c(-c2cccc(C)n2)nnc1N1CCN(CC(C)C)CC1 ZINC001314026220 1071787993 /nfs/dbraw/zinc/78/79/93/1071787993.db2.gz KSNRVVTYJPGHIC-OAQYLSRUSA-N 0 3 471.650 3.587 20 0 JHADHN CCOC(=O)N[C@H](CC(C)C)Cn1c(C2CCCC2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C ZINC001314028847 1071796900 /nfs/dbraw/zinc/79/69/00/1071796900.db2.gz HOIRLXYGZLTZFE-RBBKRZOGSA-N 0 3 490.693 3.786 20 0 JHADHN CCOC(=O)N[C@@H]1CCCN(c2nnc(C3CC3)n2C[C@H](c2ccc(CC)cc2)N(C)C)C1 ZINC001314041021 1071842513 /nfs/dbraw/zinc/84/25/13/1071842513.db2.gz ZHFUOKVAJHFEIV-FGZHOGPDSA-N 0 3 454.619 3.736 20 0 JHADHN CCOC(C)(C)Cn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCN(CC(C)C)CC1 ZINC001314055928 1071883390 /nfs/dbraw/zinc/88/33/90/1071883390.db2.gz UKYOIRXBNHEBAQ-BGYRXZFFSA-N 0 3 478.682 3.642 20 0 JHADHN CCO[C@@]1(c2nnc(N3CCN(CCC(C)(C)C)CC3)n2CC2(OC)CCCCC2)CCOC1 ZINC001314133166 1072045191 /nfs/dbraw/zinc/04/51/91/1072045191.db2.gz ACOXSJSRDWLWDZ-SANMLTNESA-N 0 3 477.694 3.838 20 0 JHADHN CCc1ccc(-c2nnc(N3C[C@H](C)N(CC)C[C@H]3C)n2C[C@@H](N2CCOCC2)C(F)(F)F)cc1 ZINC001305927177 1068224948 /nfs/dbraw/zinc/22/49/48/1068224948.db2.gz BUEBZCIVUXCAMS-NNMXDRDESA-N 0 3 494.606 3.690 20 0 JHADHN CCc1ccc(CCn2c(C(=O)Nc3ccccn3)nnc2N2C[C@H](C)N(CC)C[C@@H]2C)cc1 ZINC001305957320 1068286058 /nfs/dbraw/zinc/28/60/58/1068286058.db2.gz HMWRCEJECWPHGV-PMACEKPBSA-N 0 3 461.614 3.649 20 0 JHADHN CCc1ccc(Cn2c(CNC(=O)c3cccs3)nnc2N2C[C@H](C)N(CC)C[C@@H]2C)s1 ZINC001305967539 1068301805 /nfs/dbraw/zinc/30/18/05/1068301805.db2.gz MBTGATJJIQLVMU-IRXDYDNUSA-N 0 3 472.684 3.861 20 0 JHADHN CCc1ccccc1OCc1nnc(N2C[C@H](C)N(CC)C[C@@H]2C)n1CCNC(=O)C(C)(C)C ZINC001305984949 1068333978 /nfs/dbraw/zinc/33/39/78/1068333978.db2.gz UNWBRCYLMGATDW-PMACEKPBSA-N 0 3 470.662 3.501 20 0 JHADHN CCc1ccccc1OCc1nnc(N2CCN(CC(C)C)CC2)n1C[C@@H]1CCOC[C@H]1C ZINC001305985469 1068335141 /nfs/dbraw/zinc/33/51/41/1068335141.db2.gz KALLPYJHDUECGP-GGAORHGYSA-N 0 3 455.647 3.870 20 0 JHADHN CCc1nc(C)c([C@@H](C)N(C)c2nnc([C@H]3CCCOC3)n2CCN2CCN(C)C(C)(C)C2)s1 ZINC001306002266 1068375532 /nfs/dbraw/zinc/37/55/32/1068375532.db2.gz KIPDTPMATNMHMR-UXHICEINSA-N 0 3 489.734 3.723 20 0 JHADHN CCc1nc(CN(C)c2nnc([C@H]3CCOC3)n2C[C@H](c2ccc(F)cc2)N(C)C)cs1 ZINC001306033973 1068437766 /nfs/dbraw/zinc/43/77/66/1068437766.db2.gz SUEXUOLVVVXAJV-FXAWDEMLSA-N 0 3 458.607 3.879 20 0 JHADHN CCc1nn(C)c(OC)c1Cn1c(-c2ccc(Cl)cc2F)nnc1N1CCN(CC(C)C)CC1 ZINC001306049919 1068479444 /nfs/dbraw/zinc/47/94/44/1068479444.db2.gz JNKGRKINYBTLDR-UHFFFAOYSA-N 0 3 490.027 3.868 20 0 JHADHN CCc1nnc(N(C)[C@H](CF)c2ccc(Br)cc2)n1C[C@@H](C)N1CCN(CC)CC1 ZINC001306063443 1068502652 /nfs/dbraw/zinc/50/26/52/1068502652.db2.gz BCPSIMYHTRVVAZ-YLJYHZDGSA-N 0 3 481.458 3.776 20 0 JHADHN CCc1nnc(N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@H](c1ccc(F)cc1)N(C)C ZINC001306171275 1068565844 /nfs/dbraw/zinc/56/58/44/1068565844.db2.gz RMLSSQTWQZQQPK-WOJBJXKFSA-N 0 3 460.598 3.776 20 0 JHADHN CCc1nnc(N2CCN(Cc3cscn3)CC2)n1C[C@H](c1ccsc1)N(CC)CC ZINC001306208534 1068599717 /nfs/dbraw/zinc/59/97/17/1068599717.db2.gz XFQVCLKPUAGLJB-HXUWFJFHSA-N 0 3 459.689 3.764 20 0 JHADHN CCc1nnc(N2CCN(CCC(C)(C)C)CC2)n1Cc1ccc(OCC(F)(F)F)nc1 ZINC001306208494 1068599890 /nfs/dbraw/zinc/59/98/90/1068599890.db2.gz YYEUCCBHWDXXKK-UHFFFAOYSA-N 0 3 454.541 3.783 20 0 JHADHN CCc1nnc(N2CCO[C@H](c3noc(C(C)C)n3)C2)n1C[C@H](c1ccco1)N(CC)CC ZINC001306219173 1068606771 /nfs/dbraw/zinc/60/67/71/1068606771.db2.gz CIPSKYIYWXMZPH-MJGOQNOKSA-N 0 3 457.579 3.601 20 0 JHADHN CC[C@@H]1CCCCN1CCn1c(-c2ccccc2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 ZINC001306318344 1068741218 /nfs/dbraw/zinc/74/12/18/1068741218.db2.gz FVLFWGXAAYDWNZ-YADHBBJMSA-N 0 3 459.660 3.613 20 0 JHADHN CC[C@@H]1CCCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCCN2CCN(CC)CC2)C1 ZINC001306340906 1068777383 /nfs/dbraw/zinc/77/73/83/1068777383.db2.gz MYIXYXPPFWFBGQ-DNVJHFABSA-N 0 3 460.711 3.851 20 0 JHADHN CC[C@@H]1CCCN1c1nnc(COc2cc(C)ccc2C)n1CCCN1CCC[C@H]1C(=O)N(C)C ZINC001306355234 1068789962 /nfs/dbraw/zinc/78/99/62/1068789962.db2.gz DUVICVXDUBONJS-PKTZIBPZSA-N 0 3 482.673 3.795 20 0 JHADHN CC[C@H]1CCCN1c1nnc(COc2ccc(C)cc2)n1C[C@@H](C)CN1CCN(CC)CC1 ZINC001306357519 1068792293 /nfs/dbraw/zinc/79/22/93/1068792293.db2.gz RHKWEZIYMBOPAO-GOTSBHOMSA-N 0 3 454.663 3.818 20 0 JHADHN CC[C@H]1CCN(c2nnc(-c3cccc(Br)c3)n2C[C@@H](C)N2CCN(CC)CC2)C1 ZINC001306363062 1068799011 /nfs/dbraw/zinc/79/90/11/1068799011.db2.gz QFHVCDDPWHOKOO-MOPGFXCFSA-N 0 3 475.479 3.970 20 0 JHADHN CCC1CCN(c2nnc(COc3ccccc3F)n2C[C@H](C)CN2CCN(CC)CC2)CC1 ZINC001306381983 1068813521 /nfs/dbraw/zinc/81/35/21/1068813521.db2.gz SEHGDZCXNNHULS-OAQYLSRUSA-N 0 3 472.653 3.896 20 0 JHADHN CC/C=C/Cn1c(-c2ccc(Cl)cc2)nnc1N1C[C@H](N2CCCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001306464966 1069002011 /nfs/dbraw/zinc/00/20/11/1069002011.db2.gz NUUSRLILQIHGKJ-IDDCSHTPSA-N 0 3 471.049 3.944 20 0 JHADHN CC/C=C\Cn1c(-c2cc(C)nc3ccccc32)nnc1N1CCN(C(=O)CN(CC)CC)CC1 ZINC001306467397 1069007657 /nfs/dbraw/zinc/00/76/57/1069007657.db2.gz VUPKELPOTPGDGF-FLIBITNWSA-N 0 3 475.641 3.758 20 0 JHADHN CCCC(=O)N[C@@H]1CCCN(c2nnc(C(C)(C)C)n2C[C@H](c2cccc(F)c2)N(C)C)C1 ZINC001306497650 1069047601 /nfs/dbraw/zinc/04/76/01/1069047601.db2.gz XSHCYGIEOFEVNP-NHCUHLMSSA-N 0 3 458.626 3.903 20 0 JHADHN CCCC(=O)NC1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCN2CCCCC2)CC1 ZINC001306504254 1069076556 /nfs/dbraw/zinc/07/65/56/1069076556.db2.gz ATGJVRBYNYNRTG-UHFFFAOYSA-N 0 3 495.672 3.518 20 0 JHADHN CNC(=O)c1cccc(NC(=O)N2CCCN(Cc3ccccc3)C[C@H]2C)c1Br ZINC001310704850 1069122177 /nfs/dbraw/zinc/12/21/77/1069122177.db2.gz GYNJANTWLUUDLJ-MRXNPFEDSA-N 0 3 459.388 3.937 20 0 JHADHN CCCC(=O)NC[C@@H]1CCCN(c2nnc(C3CCC3)n2C[C@H](c2ccccc2)N(C)C)C1 ZINC001306517749 1069129194 /nfs/dbraw/zinc/12/91/94/1069129194.db2.gz BPETWYBZQJLJQW-NZQKXSOJSA-N 0 3 452.647 3.981 20 0 JHADHN CCCC(O)(CCC)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1C[C@H](C)N(CC)C[C@H]1C ZINC001306594550 1069266439 /nfs/dbraw/zinc/26/64/39/1069266439.db2.gz MBENEGSEOXWDQP-RBUKOAKNSA-N 0 3 457.619 3.924 20 0 JHADHN CCCc1nc(C)c(Cn2c(-c3ccccc3C)nnc2N2CCN(C(=O)CN(CC)CC)CC2)o1 ZINC001306610000 1069286458 /nfs/dbraw/zinc/28/64/58/1069286458.db2.gz ICBZADWYNLJMOB-UHFFFAOYSA-N 0 3 493.656 3.541 20 0 JHADHN CCC[C@@H]1CN(c2nnc(-c3cc(F)ccc3Br)n2C[C@@H](C)OC)CCN1CCOC ZINC001306616567 1069298130 /nfs/dbraw/zinc/29/81/30/1069298130.db2.gz IDKZXJMOKWEKMR-SJLPKXTDSA-N 0 3 498.441 3.819 20 0 JHADHN CCN1CCN(Cc2ccccc2CNC(=O)Nc2ccc(SC)c(C(=O)OC)c2)CC1 ZINC001311210844 1069298774 /nfs/dbraw/zinc/29/87/74/1069298774.db2.gz FFKDFMDMLHETTN-UHFFFAOYSA-N 0 3 456.612 3.654 20 0 JHADHN CCC[C@H]1CN(c2nnc(-c3cccn3C)n2Cc2ccc(Cl)cc2OC)CCN1CCOC ZINC001306620464 1069306790 /nfs/dbraw/zinc/30/67/90/1069306790.db2.gz GVMDQEFHEYUJQN-NRFANRHFSA-N 0 3 487.048 3.931 20 0 JHADHN CCOC(=O)C1CCN(C2CCN(C(F)(F)c3nc(-c4ccc(Cl)nc4)no3)CC2)CC1 ZINC001164618464 719033839 /nfs/dbraw/zinc/03/38/39/719033839.db2.gz UDFFBFLKCDVARI-UHFFFAOYSA-N 0 3 469.920 3.574 20 0 JHADHN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1cccc(N3CCN(C)CC3)n1)CC2 ZINC001164659835 719351873 /nfs/dbraw/zinc/35/18/73/719351873.db2.gz SFSKMDWZQKCVEQ-UHFFFAOYSA-N 0 3 471.653 3.528 20 0 JHADHN CNC(=O)CN1CCCC12CCN(c1cnc(Cl)nc1Oc1cccc(Cl)c1)CC2 ZINC001164689380 719755631 /nfs/dbraw/zinc/75/56/31/719755631.db2.gz DHPAHRAHLHESEF-UHFFFAOYSA-N 0 3 450.370 3.757 20 0 JHADHN Fc1ccc2nc(-c3ccccc3F)nc(N3CCN4C[C@@H](Oc5cncnc5)C[C@H]4C3)c2c1 ZINC001164739605 720659453 /nfs/dbraw/zinc/65/94/53/720659453.db2.gz OEXLFPFKAULCLE-ROUUACIJSA-N 0 3 460.488 3.707 20 0 JHADHN c1ccc(-c2ncc(N3CCN4C[C@@H](Oc5cncnc5)C[C@H]4C3)nc2-c2ccccc2)cc1 ZINC001164738936 720689942 /nfs/dbraw/zinc/68/99/42/720689942.db2.gz LPIRHZYDCUXANZ-GOTSBHOMSA-N 0 3 450.546 3.943 20 0 JHADHN Cc1ccc2nc(-c3ccccc3F)nc(N3CCN4C[C@@H](Oc5cncnc5)C[C@H]4C3)c2c1 ZINC001164742624 720718038 /nfs/dbraw/zinc/71/80/38/720718038.db2.gz WDIUVOQZWCZSQX-OALUTQOASA-N 0 3 456.525 3.876 20 0 JHADHN Fc1ccc(-c2nnc(N3CCN4C[C@@H](Oc5cncnc5)C[C@@H]4C3)c3ccccc32)cc1F ZINC001164744149 720760325 /nfs/dbraw/zinc/76/03/25/720760325.db2.gz RHKNOKRMGIFGNA-MSOLQXFVSA-N 0 3 460.488 3.707 20 0 JHADHN Clc1cccc(-c2nc3c(c(N4CCN5C[C@@H](Oc6cncnc6)C[C@@H]5C4)n2)CCCC3)c1 ZINC001164742172 720785160 /nfs/dbraw/zinc/78/51/60/720785160.db2.gz CKHGQUADRFPAAI-UXHICEINSA-N 0 3 462.985 3.808 20 0 JHADHN Cn1cc(CN2CC[C@H]3CN(c4nc(CN5CCCC5)nc5sc6c(c54)CCCC6)C[C@@H]3C2)cn1 ZINC001164767726 721201660 /nfs/dbraw/zinc/20/16/60/721201660.db2.gz KLAOHWGGUXNRLB-SFTDATJTSA-N 0 3 491.709 3.858 20 0 JHADHN Cn1cc(CN2CC[C@@H]3CN(c4ccc(C(=O)Nc5cccc(Cl)c5)cn4)C[C@H]3C2)cn1 ZINC001164771425 721201682 /nfs/dbraw/zinc/20/16/82/721201682.db2.gz POZJAIDFZLKYCX-WOJBJXKFSA-N 0 3 450.974 3.679 20 0 JHADHN Cn1cc(CN2CC[C@H]3CN(c4ccc(-c5ccc(N6CCCCC6)cc5)nn4)C[C@@H]3C2)cn1 ZINC001164767677 721226887 /nfs/dbraw/zinc/22/68/87/721226887.db2.gz KJAXZQJDJPOQQL-ZEQRLZLVSA-N 0 3 457.626 3.826 20 0 JHADHN CN1CCN(C[C@@H]2CCC[C@]3(CCN(c4ncccc4OCc4ccc(F)cc4)C3)O2)CC1 ZINC001164898341 721440136 /nfs/dbraw/zinc/44/01/36/721440136.db2.gz VSBWGKNUCRSCCG-JYFHCDHNSA-N 0 3 454.590 3.565 20 0 JHADHN COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(C(F)(F)c1cc(Cl)nc(=S)[n-]1)CC2 ZINC001164786610 721464152 /nfs/dbraw/zinc/46/41/52/721464152.db2.gz OPXOEPVSZLIQRM-MRXNPFEDSA-N 0 3 477.021 3.698 20 0 JHADHN COCC[N@H+]1CC2(C[C@@H]1COCC1CC1)CCN(C(F)(F)c1cc(Cl)nc(=S)[n-]1)CC2 ZINC001164786610 721464154 /nfs/dbraw/zinc/46/41/54/721464154.db2.gz OPXOEPVSZLIQRM-MRXNPFEDSA-N 0 3 477.021 3.698 20 0 JHADHN CCOC(=O)c1c2ccccn2c2ncnc(N3CCN4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)c21 ZINC001164900566 721510256 /nfs/dbraw/zinc/51/02/56/721510256.db2.gz SKZVQFSVQMAJOM-QUCCMNQESA-N 0 3 475.524 3.540 20 0 JHADHN Fc1cccc(O[C@@H]2C[C@H]3CN(c4ncnc5c4CN(Cc4ccccc4)CC5)CCN3C2)c1 ZINC001164896943 721518295 /nfs/dbraw/zinc/51/82/95/721518295.db2.gz CSKSYQBPKKCFRN-LADGPHEKSA-N 0 3 459.569 3.516 20 0 JHADHN Fc1cccc(O[C@@H]2C[C@H]3CN(c4nc(Cl)nc5c(Cl)nc(Cl)nc54)CCN3C2)c1 ZINC001164897607 721523055 /nfs/dbraw/zinc/52/30/55/721523055.db2.gz GACGCYBFUYACJT-WCQYABFASA-N 0 3 469.735 3.861 20 0 JHADHN Fc1cccc(O[C@@H]2C[C@@H]3CN(c4nc(Cl)nc5c4ncn5[C@@H]4CCCCO4)CCN3C2)c1 ZINC001164904628 721533372 /nfs/dbraw/zinc/53/33/72/721533372.db2.gz FPXPMHLFYRMTJA-QRQLOZEOSA-N 0 3 472.952 3.660 20 0 JHADHN COC(=O)c1nc(N2CCC3(CC2)COCCN(Cc2ccncc2)C3)c2ccccc2c1OC ZINC001164961632 722061035 /nfs/dbraw/zinc/06/10/35/722061035.db2.gz NIAPJFRGXUKLGF-UHFFFAOYSA-N 0 3 476.577 3.544 20 0 JHADHN O=C(NCc1ccccc1)c1cc(Cl)nc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164986443 722106159 /nfs/dbraw/zinc/10/61/59/722106159.db2.gz ZBAIBAZEHWVAKY-ISKFKSNPSA-N 0 3 492.023 3.787 20 0 JHADHN CCOc1cc2ncnc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)c2cc1OCC ZINC001164971397 722118620 /nfs/dbraw/zinc/11/86/20/722118620.db2.gz BXEQICGCQAWMRO-NLFFAJNJSA-N 0 3 463.582 3.550 20 0 JHADHN c1cn(Cc2ccccc2)c2ncnc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)c12 ZINC001164974026 722124616 /nfs/dbraw/zinc/12/46/16/722124616.db2.gz IHJCXFISMAPKKL-NOZRDPDXSA-N 0 3 454.578 3.602 20 0 JHADHN CCOC(=O)c1ccc2nc(Cl)nc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)c2c1 ZINC001164981489 722137572 /nfs/dbraw/zinc/13/75/72/722137572.db2.gz OZSNRPSZGHSSSJ-DENIHFKCSA-N 0 3 481.984 3.582 20 0 JHADHN Clc1ccc(OC(Cl)(Cl)N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)cn1 ZINC001164971566 722158012 /nfs/dbraw/zinc/15/80/12/722158012.db2.gz BSFLAEXSGGXVFB-WMZOPIPTSA-N 0 3 457.789 3.821 20 0 JHADHN Clc1ccc(OC(Cl)(Cl)N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)cn1 ZINC001164971315 722158050 /nfs/dbraw/zinc/15/80/50/722158050.db2.gz BSFLAEXSGGXVFB-FUHWJXTLSA-N 0 3 457.789 3.821 20 0 JHADHN CC(=O)Oc1cc2ncnc(N3CCC[C@]4(CCN4Cc4cccc(F)c4)C3)c2cc1OC(C)=O ZINC001164995294 722205248 /nfs/dbraw/zinc/20/52/48/722205248.db2.gz MBNXUEXIWXCWHP-SANMLTNESA-N 0 3 478.524 3.864 20 0 JHADHN CCC[C@H]1CN(c2nnc(-c3cccc(C)n3)n2C[C@@](C)(O)c2ccsc2)CCN1CCOC ZINC001306622729 1069313000 /nfs/dbraw/zinc/31/30/00/1069313000.db2.gz DBDRSSLLZFQHIR-SQJMNOBHSA-N 0 3 484.670 3.555 20 0 JHADHN CCC[C@H]1CN(c2nnc(Cc3ccc(Cl)cc3)n2CCCN2CCN(CC)CC2)CCO1 ZINC001306626901 1069323247 /nfs/dbraw/zinc/32/32/47/1069323247.db2.gz NYRDXSRZADIOBF-QHCPKHFHSA-N 0 3 475.081 3.555 20 0 JHADHN CN(C)[C@@H](CNC(=O)Nc1ccnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1)c1ccccc1 ZINC001311327293 1069324936 /nfs/dbraw/zinc/32/49/36/1069324936.db2.gz QLRWNMMYUQYUFM-OALUTQOASA-N 0 3 454.575 3.973 20 0 JHADHN CCC[C@H]1CN(c2nnc(Cc3ccc(F)cc3)n2Cc2ccc(C)nc2)CCN1CCOC ZINC001306628266 1069325902 /nfs/dbraw/zinc/32/59/02/1069325902.db2.gz XWCZLIYOKNBINY-DEOSSOPVSA-N 0 3 466.605 3.697 20 0 JHADHN CCC[C@@H]1CN(c2nnc(CC)n2Cc2c(C)nn(-c3ccccc3)c2C)CCN1CCOC ZINC001306628338 1069326709 /nfs/dbraw/zinc/32/67/09/1069326709.db2.gz YWHTZQNEMMNTHH-HSZRJFAPSA-N 0 3 465.646 3.628 20 0 JHADHN CCN1CCN(Cc2ccc(CNC(=O)N3CCC[C@H]3COc3ccc(F)cc3)cc2)CC1 ZINC001311357559 1069341475 /nfs/dbraw/zinc/34/14/75/1069341475.db2.gz JFVJSRACCBNMFY-DEOSSOPVSA-N 0 3 454.590 3.716 20 0 JHADHN CCN(CC)[C@H](CNC(=O)N1CCn2c(CCc3ccccc3)nnc2C1)c1ccsc1 ZINC001311395439 1069360504 /nfs/dbraw/zinc/36/05/04/1069360504.db2.gz LMKNATSJGFSQCV-OAQYLSRUSA-N 0 3 452.628 3.733 20 0 JHADHN CCCCCn1c(CCc2ccccc2)nnc1N1C[C@H](N2CCCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001306654239 1069365835 /nfs/dbraw/zinc/36/58/35/1069365835.db2.gz HMXPESLSWJXCPI-DHLKQENFSA-N 0 3 466.674 3.632 20 0 JHADHN COc1ccc(C[C@@H](C)CN(C)C(=O)NCCCN2CCN(C)C[C@@H]2c2ccccc2)cc1 ZINC001311424169 1069372551 /nfs/dbraw/zinc/37/25/51/1069372551.db2.gz PYMDNIIPXUPSES-ATIYNZHBSA-N 0 3 452.643 3.894 20 0 JHADHN CCN(CC)[C@@H](CNC(=O)NC[C@](O)(c1ccccc1)C(F)(F)F)c1cccc(OC)c1 ZINC001311469199 1069392755 /nfs/dbraw/zinc/39/27/55/1069392755.db2.gz JPXGEWWNSMEETF-UNMCSNQZSA-N 0 3 453.505 3.827 20 0 JHADHN CCCCN(C)CCn1c(-c2ccc(CC)cc2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 ZINC001306682049 1069412690 /nfs/dbraw/zinc/41/26/90/1069412690.db2.gz APPWKEHWJIIEEH-QFIPXVFZSA-N 0 3 461.676 3.643 20 0 JHADHN CCC(CC)[C@H](CNC(=O)N[C@H](CN(C)C)c1cccc(C(F)(F)F)c1)N1CCOCC1 ZINC001311536591 1069428953 /nfs/dbraw/zinc/42/89/53/1069428953.db2.gz XNKZYBFEGKHDSB-RTWAWAEBSA-N 0 3 458.569 3.744 20 0 JHADHN CCCCn1c([C@H](C)Oc2ccccc2F)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC001306700195 1069435708 /nfs/dbraw/zinc/43/57/08/1069435708.db2.gz FSDIDBILANKXQG-LEWJYISDSA-N 0 3 458.626 3.962 20 0 JHADHN Cc1ccc(CNC(=O)C2CCN(C(=O)NC[C@@H](c3cccs3)N3CCCC3)CC2)cc1 ZINC001311577827 1069446835 /nfs/dbraw/zinc/44/68/35/1069446835.db2.gz WNOUZOLJXMFQHB-QFIPXVFZSA-N 0 3 454.640 3.931 20 0 JHADHN CC(C)(C)OC(=O)N[C@@H]1CCCN(C(=O)[C@@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)C1 ZINC000751095223 1069443261 /nfs/dbraw/zinc/44/32/61/1069443261.db2.gz JUIUCXGHCFEKQQ-XMSQKQJNSA-N 0 3 455.521 3.957 20 0 JHADHN CN(C)[C@H](CNC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C(F)(F)F)c1cccc(F)c1 ZINC001311573834 1069444474 /nfs/dbraw/zinc/44/44/74/1069444474.db2.gz XMDXJYSCHOFXSU-NJDAHSKKSA-N 0 3 452.496 3.791 20 0 JHADHN CSc1ccc([C@@H](CNC(=O)N[C@@H](CN2CCOCC2)c2ccc(C)cc2)N(C)C)cc1 ZINC001311595644 1069456831 /nfs/dbraw/zinc/45/68/31/1069456831.db2.gz XGMXYIXLNUMGEH-BJKOFHAPSA-N 0 3 456.656 3.692 20 0 JHADHN O=C(NCc1cc(F)ccc1Br)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC001311619913 1069470543 /nfs/dbraw/zinc/47/05/43/1069470543.db2.gz JMFZWZUTQJBLCF-IBGZPJMESA-N 0 3 450.352 3.679 20 0 JHADHN O=C(NCCCCN1CCN(c2ccccc2)CC1)N1CCO[C@H](CCc2ccccc2)C1 ZINC001311634460 1069480971 /nfs/dbraw/zinc/48/09/71/1069480971.db2.gz XROKFHXKMVKBGP-AREMUKBSSA-N 0 3 450.627 3.632 20 0 JHADHN Cc1ccc([C@H](CNC(=O)N2CCN(C(=O)C(F)(F)F)C3(CCCCC3)C2)N(C)C)cc1 ZINC001311746398 1069531490 /nfs/dbraw/zinc/53/14/90/1069531490.db2.gz RXAZHNFEVUQIAC-IBGZPJMESA-N 0 3 454.537 3.717 20 0 JHADHN CN(C)C(=O)[C@H]1CCCN1CCCNC(=O)N1CCC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC001311804966 1069552810 /nfs/dbraw/zinc/55/28/10/1069552810.db2.gz MRHBHSZHKUHODH-UYAOXDASSA-N 0 3 454.537 3.537 20 0 JHADHN CN(C)CCN(CC1CCCCC1)C(=O)NC[C@H](c1cccc(Cl)c1)N1CCOCC1 ZINC001311829921 1069567372 /nfs/dbraw/zinc/56/73/72/1069567372.db2.gz ORYXVVSJKHTSKB-HSZRJFAPSA-N 0 3 451.055 3.867 20 0 JHADHN CN1CCN(Cc2cccc(CNC(=O)NCCOc3ccc(Cl)c(Cl)c3)c2)CC1 ZINC001311860304 1069585404 /nfs/dbraw/zinc/58/54/04/1069585404.db2.gz KKOYCJJCSGABBX-UHFFFAOYSA-N 0 3 451.398 3.619 20 0 JHADHN CN(Cc1cccc(OC(F)(F)F)c1)C(=O)NCc1cccc(CN2CCN(C)CC2)c1 ZINC001311860874 1069586177 /nfs/dbraw/zinc/58/61/77/1069586177.db2.gz MUUYTEDITTXLTB-UHFFFAOYSA-N 0 3 450.505 3.674 20 0 JHADHN CC(C)C[C@@H](C)Oc1cc(CNC(=O)NCc2cccc(CN3CCN(C)CC3)c2)ccn1 ZINC001311863284 1069586512 /nfs/dbraw/zinc/58/65/12/1069586512.db2.gz YFIQJTMLZIPPMJ-OAQYLSRUSA-N 0 3 453.631 3.642 20 0 JHADHN Cc1ccccc1Oc1ccccc1CNC(=O)N1CCC(C(N)=O)(N2CCCCC2)CC1 ZINC001311908379 1069608394 /nfs/dbraw/zinc/60/83/94/1069608394.db2.gz IKOCFWNREBMFJN-UHFFFAOYSA-N 0 3 450.583 3.803 20 0 JHADHN CCOc1cc(C)ccc1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CCC(C)(C)C)CC1 ZINC001314155069 1069624709 /nfs/dbraw/zinc/62/47/09/1069624709.db2.gz BBJKIAPFPUALIT-OAQYLSRUSA-N 0 3 468.646 3.543 20 0 JHADHN CCOc1cc(C)ccc1Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C ZINC001314156441 1069627825 /nfs/dbraw/zinc/62/78/25/1069627825.db2.gz GRIRVMNTYBNBOM-PMACEKPBSA-N 0 3 477.613 3.600 20 0 JHADHN Cc1cc(NC(=O)c2cc(NC(=O)OC(C)(C)C)nn2C)cc(N2CCN(C(C)C)CC2)c1 ZINC001306827473 1069646555 /nfs/dbraw/zinc/64/65/55/1069646555.db2.gz SDIBVSWWPXRQDC-UHFFFAOYSA-N 0 3 456.591 3.858 20 0 JHADHN CCOc1ccccc1[C@](N)(C(=O)NC[C@H](c1ccc(SC)cc1)N(C)C)C(F)(F)F ZINC001306849521 1069658345 /nfs/dbraw/zinc/65/83/45/1069658345.db2.gz URYDNDCPHGAWIE-NQIIRXRSSA-N 0 3 455.546 3.943 20 0 JHADHN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2CN(C(=O)NC[C@H]3CCCN3Cc3ccccc3)C[C@@H]21 ZINC001312026127 1069679610 /nfs/dbraw/zinc/67/96/10/1069679610.db2.gz RYBXFBZQUJMOOC-BXXSPATCSA-N 0 3 456.631 3.986 20 0 JHADHN CCOc1ccc(-c2nnc(N3CC[C@H](C(C)C)C3)n2C[C@H](C)N2CCN(CC)CC2)cc1OC ZINC001314172424 1069689324 /nfs/dbraw/zinc/68/93/24/1069689324.db2.gz HOYWBPFWTVZFGN-GMAHTHKFSA-N 0 3 484.689 3.861 20 0 JHADHN COc1ccc([C@H](NC(=O)N2CC[C@@H]3[C@@H]2CCCN3CCO)c2ccccc2Cl)c(C)c1 ZINC001312091706 1069715397 /nfs/dbraw/zinc/71/53/97/1069715397.db2.gz YUAJQKWEXYLBEV-SGNDLWITSA-N 0 3 458.002 3.987 20 0 JHADHN CC[C@H]1Oc2cc([C@@H](C)NC(=O)N(CCN(C)C)Cc3cccc(OC)c3)ccc2NC1=O ZINC001312135085 1069740670 /nfs/dbraw/zinc/74/06/70/1069740670.db2.gz MPFWAMSCHFKVGM-VGOFRKELSA-N 0 3 454.571 3.639 20 0 JHADHN CCCN1CC[C@H](Cn2c([C@H](CC)c3ccccc3)nnc2N(CC)[C@@H]2CCS(=O)(=O)C2)C1 ZINC001307034779 1069751297 /nfs/dbraw/zinc/75/12/97/1069751297.db2.gz RMWMXFQTJIZINW-MDNUFGMLSA-N 0 3 473.687 3.565 20 0 JHADHN C[C@@H](NC(=O)N1CCC(C(=O)NCCN(C)Cc2ccccc2)CC1)[C@H](C)c1ccccc1 ZINC001312153421 1069751709 /nfs/dbraw/zinc/75/17/09/1069751709.db2.gz LDHHWGUICWFDGD-FCHUYYIVSA-N 0 3 450.627 3.848 20 0 JHADHN CCCN1CC[C@H](Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2ccccc2C(F)(F)F)C1 ZINC001307043628 1069775142 /nfs/dbraw/zinc/77/51/42/1069775142.db2.gz LPAZBMXKOZNTQX-PKOBYXMFSA-N 0 3 499.603 3.567 20 0 JHADHN CCOc1ccc(O[C@@H](C)c2nnc(N3CCN(C4CCOCC4)C[C@@H]3C)n2C[C@H](C)OC)cc1 ZINC001314197193 1069779103 /nfs/dbraw/zinc/77/91/03/1069779103.db2.gz KLELOHZEBYINBR-ACRUOGEOSA-N 0 3 487.645 3.541 20 0 JHADHN C[C@H](NC(=O)NCc1nnc2c(Cl)cc(C(F)(F)F)cn12)[C@H](c1ccccc1)N(C)C ZINC001312207098 1069782719 /nfs/dbraw/zinc/78/27/19/1069782719.db2.gz CVZBSUVPMXZDJP-YVEFUNNKSA-N 0 3 454.884 3.892 20 0 JHADHN 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1070081146 /nfs/dbraw/zinc/08/11/46/1070081146.db2.gz NHXUSIZQHAEADE-RUZDIDTESA-N 0 3 451.611 3.795 20 0 JHADHN Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN[C@H](CC(C)C)c3ccccc3)CC2)cc1C ZINC001307622144 1070085020 /nfs/dbraw/zinc/08/50/20/1070085020.db2.gz XIFWKIRNROOIED-XMMPIXPASA-N 0 3 457.640 3.513 20 0 JHADHN CCOC(=O)C[C@@H]1CCCC[C@@]1(O)CN[C@H](C)c1cc2c(cc1Br)OCCO2 ZINC001307622588 1070085427 /nfs/dbraw/zinc/08/54/27/1070085427.db2.gz FCDJTDUBXQJGTE-LRAJWGHMSA-N 0 3 456.377 3.745 20 0 JHADHN Cc1cccc([C@H](C)NCC(=O)NCCN2C(=O)S/C(=C\c3ccccc3F)C2=O)c1C ZINC001307638166 1070094511 /nfs/dbraw/zinc/09/45/11/1070094511.db2.gz XTZORLGSNSDSDP-WBRURWICSA-N 0 3 455.555 3.946 20 0 JHADHN COC(=O)C1(NC(=O)CN[C@@H](Cc2ccc(OC)cc2)c2ccc(OC)cc2)CCCCC1 ZINC001307640055 1070096403 /nfs/dbraw/zinc/09/64/03/1070096403.db2.gz LNBMVDMHDTUQAU-QHCPKHFHSA-N 0 3 454.567 3.569 20 0 JHADHN CSc1ccc([C@@H](CNC(=O)N2CC[C@@H](F)[C@H](NC(=O)OC(C)(C)C)C2)N(C)C)cc1 ZINC001312753783 1070104273 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CCN(CC)CC(=O)N1CCN(c2nnc(-c3cc(C)nc4ccccc43)n2C[C@@H](C)SC)CC1 ZINC001313701369 1070979394 /nfs/dbraw/zinc/97/93/94/1070979394.db2.gz SKDGHYZIRWTGQR-HXUWFJFHSA-N 0 3 495.697 3.544 20 0 JHADHN CCOC(=O)c1cc(S(=O)(=O)N(C)C[C@@H]2CCN(Cc3ccc(C)s3)C2)ccc1F ZINC001309831490 1070988822 /nfs/dbraw/zinc/98/88/22/1070988822.db2.gz ZSQLEBFENBUNGT-INIZCTEOSA-N 0 3 454.589 3.515 20 0 JHADHN CCN(CC)CC(=O)N1CCN(c2nnc(C3CCCC3)n2CCC2CC(OC(C)(C)C)C2)CC1 ZINC001313704230 1070989652 /nfs/dbraw/zinc/98/96/52/1070989652.db2.gz LNYCDXQMXAHZSH-UHFFFAOYSA-N 0 3 488.721 3.910 20 0 JHADHN CN(Cc1ccccc1Br)c1nnc([C@H]2CCCO2)n1CCN1CCN(C)C(C)(C)C1 ZINC001314746336 1070991256 /nfs/dbraw/zinc/99/12/56/1070991256.db2.gz HWAFTUWDNUTYLR-HXUWFJFHSA-N 0 3 491.478 3.555 20 0 JHADHN CN(Cc1ccccc1Cl)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)CN1CCCC1 ZINC001314753257 1071006105 /nfs/dbraw/zinc/00/61/05/1071006105.db2.gz UZDZNYFLRVZFEL-LJQANCHMSA-N 0 3 480.078 3.592 20 0 JHADHN CN(Cc1ccsc1)c1nnc(COc2ccc(F)cc2)n1CCN1CCN(C)C(C)(C)C1 ZINC001314769334 1071031526 /nfs/dbraw/zinc/03/15/26/1071031526.db2.gz KFUOLCFAAMGSCL-UHFFFAOYSA-N 0 3 472.634 3.720 20 0 JHADHN CN(C[C@H]1CC=CCC1)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H]1N(C)CCCC1(C)C ZINC001314789504 1071066694 /nfs/dbraw/zinc/06/66/94/1071066694.db2.gz YYHJDWUQVNBXRP-PMACEKPBSA-N 0 3 451.619 3.838 20 0 JHADHN CN(C)[C@H](Cn1c(CN2CCCC2=O)nnc1N(C)C[C@@H]1CC=CCC1)c1ccc(F)cc1 ZINC001314790602 1071068138 /nfs/dbraw/zinc/06/81/38/1071068138.db2.gz PMBQYFMXIKPVOK-DENIHFKCSA-N 0 3 454.594 3.635 20 0 JHADHN CN(C)[C@H](Cn1c(Cc2ccccn2)nnc1N(C)C[C@@H]1CCCCO1)c1cccc(F)c1 ZINC001314802515 1071084919 /nfs/dbraw/zinc/08/49/19/1071084919.db2.gz MPDQJYYFNKEZCB-XZOQPEGZSA-N 0 3 452.578 3.711 20 0 JHADHN CCn1cc(NC(=O)NCC2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)CC2)cn1 ZINC001310099214 1071117124 /nfs/dbraw/zinc/11/71/24/1071117124.db2.gz DPRXQHKGCWMUTP-UHFFFAOYSA-N 0 3 456.591 3.584 20 0 JHADHN CCN(C[C@H]1CCCO1)c1nnc(Cc2ccncc2)n1C[C@H](c1ccc(F)cc1)N(C)C ZINC001313777900 1071137036 /nfs/dbraw/zinc/13/70/36/1071137036.db2.gz OZQMSRZYDJKURS-DHIUTWEWSA-N 0 3 452.578 3.711 20 0 JHADHN CCN(CC1CCN(c2ccccn2)CC1)c1nnc(CC(C)(C)C)n1CCc1nnc(C)[nH]1 ZINC001313778485 1071140317 /nfs/dbraw/zinc/14/03/17/1071140317.db2.gz INGJVLCJWYEFKK-UHFFFAOYSA-N 0 3 465.650 3.674 20 0 JHADHN CN(CCC(F)(F)F)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCN1CCN(C)C(C)(C)C1 ZINC001314826636 1071150737 /nfs/dbraw/zinc/15/07/37/1071150737.db2.gz HFFCWRQWNOFTSX-QZTJIDSGSA-N 0 3 474.616 3.611 20 0 JHADHN O=C(Nc1cccc(COCCOc2ccccc2)c1)N1CCN(CC2CCOCC2)CC1 ZINC001310143256 1071152247 /nfs/dbraw/zinc/15/22/47/1071152247.db2.gz VLNFVGKAWYVCMF-UHFFFAOYSA-N 0 3 453.583 3.858 20 0 JHADHN O=C(NCCCCN1CCN(Cc2ccccc2)CC1)Nc1nc(-c2ccccc2)ns1 ZINC001310163979 1071170726 /nfs/dbraw/zinc/17/07/26/1071170726.db2.gz WUSKFKOOIYRDBF-UHFFFAOYSA-N 0 3 450.612 3.925 20 0 JHADHN CN(CCCn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(C(C)(C)C)CC1)CC(F)(F)F ZINC001314848299 1071208077 /nfs/dbraw/zinc/20/80/77/1071208077.db2.gz HTBQMAZCPQKZOR-UHFFFAOYSA-N 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CCN(CCn1c(-c2cnn(C)c2)nnc1N1Cc2ccccc2O[C@H](C)C1)CCC(F)(F)F ZINC001313810970 1071243967 /nfs/dbraw/zinc/24/39/67/1071243967.db2.gz PIJVEXRLXIWONY-QGZVFWFLSA-N 0 3 477.535 3.740 20 0 JHADHN CCN(CCn1c(-c2cnn(C)c2)nnc1N1CCC[C@H](n2nc(C)cc2C)C1)CCC(F)(F)F ZINC001313811126 1071244510 /nfs/dbraw/zinc/24/45/10/1071244510.db2.gz STMQNNSFXPKWBL-FQEVSTJZSA-N 0 3 493.582 3.608 20 0 JHADHN CCS(=O)(=O)Nc1ccc(NC(=O)NC[C@@H](c2ccc(SC)cc2)N(C)C)cc1C ZINC001310272749 1071255824 /nfs/dbraw/zinc/25/58/24/1071255824.db2.gz LCUXBVXMLOPFSJ-FQEVSTJZSA-N 0 3 450.630 3.903 20 0 JHADHN CCN(CCn1c([C@@H]2CCCCO2)nnc1N1CCN(CC(C)C)CC1)C(=O)OC(C)(C)C ZINC001313815260 1071260660 /nfs/dbraw/zinc/26/06/60/1071260660.db2.gz VGYQEUNCLHAZOJ-FQEVSTJZSA-N 0 3 464.655 3.555 20 0 JHADHN CN(CCn1c(CCc2ccccc2)nnc1N1CCN(C2CCCC2)CC1)CC(F)(F)F ZINC001314865785 1071267896 /nfs/dbraw/zinc/26/78/96/1071267896.db2.gz XMSHZHACHZZOQM-UHFFFAOYSA-N 0 3 464.580 3.622 20 0 JHADHN CN(CCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](OCC(F)(F)F)C1)Cc1ccc(F)cc1 ZINC001314866040 1071268868 /nfs/dbraw/zinc/26/88/68/1071268868.db2.gz PSQQGMJFUBFQPB-TZIWHRDSSA-N 0 3 499.553 3.991 20 0 JHADHN CN(CCn1c(N2C[C@]3(CCOC3)OC(C)(C)C2)nnc1C(C)(C)C)Cc1ccc(F)cc1 ZINC001314867456 1071273777 /nfs/dbraw/zinc/27/37/77/1071273777.db2.gz ZFVCOVMWYUBJFI-VWLOTQADSA-N 0 3 459.610 3.621 20 0 JHADHN CN(CCOC(C)(C)C)c1nnc(-c2cnccn2)n1C[C@H](c1ccco1)N1CCCCC1 ZINC001314877243 1071295269 /nfs/dbraw/zinc/29/52/69/1071295269.db2.gz IPUJYTKWJGDLNZ-HXUWFJFHSA-N 0 3 453.591 3.807 20 0 JHADHN CN(C)[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)CCOc1cccc(Cl)c1)c1cccs1 ZINC001314881796 1071307279 /nfs/dbraw/zinc/30/72/79/1071307279.db2.gz GSWUGSXXLKXQCM-RBUKOAKNSA-N 0 3 489.045 3.762 20 0 JHADHN CNC(=O)c1cc(Oc2ccccc2NC(=O)N[C@H](CN(C)C)c2ccc(F)cc2)ccn1 ZINC001310367248 1071344287 /nfs/dbraw/zinc/34/42/87/1071344287.db2.gz DIBFBQKRQIHJNK-OAQYLSRUSA-N 0 3 451.502 3.797 20 0 JHADHN O=C(NCc1ccccc1CN1CCC(O)CC1)Nc1ccc([S@@](=O)C(F)(F)F)cc1 ZINC001310369241 1071345533 /nfs/dbraw/zinc/34/55/33/1071345533.db2.gz CGDGRWLGWPGADV-WJOKGBTCSA-N 0 3 455.502 3.592 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@H]2CCC=CO2)C[C@@H]1C ZINC001313858547 1071359390 /nfs/dbraw/zinc/35/93/90/1071359390.db2.gz BNCPNFLKEUGBLV-CMKODMSKSA-N 0 3 471.602 3.583 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@H]2CCC=CO2)C[C@H]1C ZINC001313858549 1071360837 /nfs/dbraw/zinc/36/08/37/1071360837.db2.gz BNCPNFLKEUGBLV-WSTZPKSXSA-N 0 3 471.602 3.583 20 0 JHADHN Cn1cccc1-c1nnc(N2CCN(C(C)(C)C)CC2)n1C[C@@](O)(c1ccccc1)C(F)(F)F ZINC001314918010 1071361053 /nfs/dbraw/zinc/36/10/53/1071361053.db2.gz SJONYINYTBRLRZ-HSZRJFAPSA-N 0 3 476.547 3.654 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3ccc(Br)s3)n2CCCO[C@@H]2CCOC2)C[C@@H]1C ZINC001313859613 1071365916 /nfs/dbraw/zinc/36/59/16/1071365916.db2.gz HCPUWXUTIMJDKT-YESZJQIVSA-N 0 3 498.491 3.884 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3cccc(Br)c3)n2CCCO[C@H]2CCOC2)C[C@H]1C ZINC001313859495 1071364636 /nfs/dbraw/zinc/36/46/36/1071364636.db2.gz GVJPSGMULORWBD-LQWHRVPQSA-N 0 3 492.462 3.822 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3cc(Br)cn3C)n2CC2(SC)CC2)C[C@@H]1C ZINC001313860095 1071368008 /nfs/dbraw/zinc/36/80/08/1071368008.db2.gz JANOBGZFLXDFBZ-GJZGRUSLSA-N 0 3 467.481 3.861 20 0 JHADHN CN1CCN(CCn2c(N3CC[C@]4(C)[C@H](C3)C4(Cl)Cl)nnc2C(C)(C)C)CC1(C)C ZINC001314931079 1071374215 /nfs/dbraw/zinc/37/42/15/1071374215.db2.gz MMNSMRYGZZXQDF-HRAATJIYSA-N 0 3 457.494 3.622 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@@H]2CCCS2)C[C@@H]1C ZINC001313861706 1071375552 /nfs/dbraw/zinc/37/55/52/1071375552.db2.gz QTNZUCFXLQIKGI-LNLFQRSKSA-N 0 3 475.659 3.785 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2C[C@](C)(O)C2CC2)C[C@H]1C ZINC001313862476 1071377562 /nfs/dbraw/zinc/37/75/62/1071377562.db2.gz BEOHKJYGBWAIOY-MVYHEMRASA-N 0 3 471.646 3.821 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(-c3cnn(-c4ccccc4)c3)n2CCNC(=O)OC(C)(C)C)C[C@H]1C ZINC001313862552 1071376982 /nfs/dbraw/zinc/37/69/82/1071376982.db2.gz HTRNJWRSTWNBQO-WOJBJXKFSA-N 0 3 494.644 3.574 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(-c3ccc4ccccc4n3)n2CCC(=O)NC(C)(C)C)C[C@H]1C ZINC001313863325 1071381484 /nfs/dbraw/zinc/38/14/84/1071381484.db2.gz CWLWBMYAEQHTAD-RTBURBONSA-N 0 3 463.630 3.717 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3cc(OC)ccc3Br)n2CCc2cn[nH]c2)C[C@@H]1C ZINC001313863561 1071382555 /nfs/dbraw/zinc/38/25/55/1071382555.db2.gz WHPHTESNQFFPDY-HOTGVXAUSA-N 0 3 488.434 3.601 20 0 JHADHN CCN1C[C@H](C)N(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCCNC(=O)C2CCC2)C[C@H]1C ZINC001313862787 1071378605 /nfs/dbraw/zinc/37/86/05/1071378605.db2.gz RUSCZSWOWQVZKK-HSALFYBXSA-N 0 3 486.636 3.783 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(C3CCC3)n2Cc2c(Cl)c(C(F)(F)F)nn2C)C[C@@H]1C ZINC001313864106 1071385682 /nfs/dbraw/zinc/38/56/82/1071385682.db2.gz LUFYPLFTDSKTMT-STQMWFEESA-N 0 3 459.948 3.919 20 0 JHADHN CCN1C[C@H](C)N(c2nnc([C@@H]3CCCOC3)n2CCc2ccc(OC)c(OC(F)F)c2)C[C@@H]1C ZINC001313864271 1071386064 /nfs/dbraw/zinc/38/60/64/1071386064.db2.gz BWWCTZUSEXFAGL-CMKODMSKSA-N 0 3 493.599 3.944 20 0 JHADHN CCN1C[C@H](C)N(c2nnc([C@@H](C)Oc3ccccc3F)n2CCCN2CCCCC2=O)C[C@@H]1C ZINC001313865156 1071391100 /nfs/dbraw/zinc/39/11/00/1071391100.db2.gz WKSMLLGENFWTOH-PCCBWWKXSA-N 0 3 486.636 3.879 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(Cl)cc2)C[C@@H]1C ZINC001313865243 1071391493 /nfs/dbraw/zinc/39/14/93/1071391493.db2.gz YRDITIBSZQSTJR-DLBZAZTESA-N 0 3 453.978 3.546 20 0 JHADHN CCN1C[C@H](C)N(c2nnc([C@H](C)Oc3ccc(F)cc3)n2Cc2ccc(C)n(C)c2=O)C[C@@H]1C ZINC001313865884 1071394340 /nfs/dbraw/zinc/39/43/40/1071394340.db2.gz YMKHPCPGYZMECW-UFYCRDLUSA-N 0 3 482.604 3.532 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3cc4c(s3)CCCCC4)n2CCCNC(C)=O)C[C@H]1C ZINC001313864934 1071389030 /nfs/dbraw/zinc/38/90/30/1071389030.db2.gz ZLPZICDGSWEOFI-MSOLQXFVSA-N 0 3 458.676 3.721 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3cnn(C)c3)n2CCc2ccc(Br)s2)C[C@H]1C ZINC001313866845 1071396072 /nfs/dbraw/zinc/39/60/72/1071396072.db2.gz QZQLGUJFKKAJJJ-CABCVRRESA-N 0 3 478.464 3.664 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(CCCc3ccccc3)n2CC2CCN(C(=O)OC)CC2)C[C@H]1C ZINC001313867224 1071399117 /nfs/dbraw/zinc/39/91/17/1071399117.db2.gz IMHHTSAQUUOSCA-YADHBBJMSA-N 0 3 482.673 3.851 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(-c3ccc(OC)cc3OC)n2CCCOC(F)(F)F)C[C@H]1C ZINC001313867157 1071399268 /nfs/dbraw/zinc/39/92/68/1071399268.db2.gz MCMTVCJIXNQABT-HZPDHXFCSA-N 0 3 471.524 3.808 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(Cc3ccsc3)n2CCCN(C)CC(F)(F)F)C[C@@H]1C ZINC001313870111 1071412433 /nfs/dbraw/zinc/41/24/33/1071412433.db2.gz SCVPPFPQTDGABX-IRXDYDNUSA-N 0 3 458.598 3.734 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(Cc3ccsc3)n2CCNC(=O)c2ccc(C)cc2)C[C@H]1C ZINC001313870180 1071412525 /nfs/dbraw/zinc/41/25/25/1071412525.db2.gz SUIKDACCVYVCEL-WOJBJXKFSA-N 0 3 466.655 3.588 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3ccc[nH]3)n2Cc2ccc(NC(=O)NC(C)C)cc2)C[C@H]1C ZINC001313871645 1071415795 /nfs/dbraw/zinc/41/57/95/1071415795.db2.gz GWBPVSXORZTZKQ-MOPGFXCFSA-N 0 3 464.618 3.770 20 0 JHADHN CCN1C[C@H](C)N(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2Cc2cc(C)no2)C[C@@H]1C ZINC001313871874 1071419023 /nfs/dbraw/zinc/41/90/23/1071419023.db2.gz UMGIIKBCIWOPQZ-SLFFLAALSA-N 0 3 487.649 3.656 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3ccc(Cl)cc3OC)n2CCCNC(=O)C(C)C)C[C@H]1C ZINC001313871954 1071420034 /nfs/dbraw/zinc/42/00/34/1071420034.db2.gz VYBGSCGCTDIWOI-MSOLQXFVSA-N 0 3 477.053 3.688 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(COc3ccc(F)cc3)n2C[C@H]2CCN(CC(F)(F)F)C2)C[C@@H]1C ZINC001313872504 1071422030 /nfs/dbraw/zinc/42/20/30/1071422030.db2.gz AXBDWFIZTTXADD-FHWLQOOXSA-N 0 3 498.569 3.799 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3ccc(OC)c(OC)c3)n2CCc2scnc2C)C[C@H]1C ZINC001313873082 1071424877 /nfs/dbraw/zinc/42/48/77/1071424877.db2.gz YQQKSWXKJVFDOH-SJORKVTESA-N 0 3 470.643 3.889 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(Cc3ccc(Cl)cc3)n2CCCc2cnn(C)c2)C[C@@H]1C ZINC001313873733 1071426344 /nfs/dbraw/zinc/42/63/44/1071426344.db2.gz LWAFQJWKPUQCKB-OALUTQOASA-N 0 3 456.038 3.808 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(CNC(=O)c3cccs3)n2CC2(CCOC)CCCC2)C[C@@H]1C ZINC001313874524 1071428830 /nfs/dbraw/zinc/42/88/30/1071428830.db2.gz IOZMVNLPZYMETF-PMACEKPBSA-N 0 3 488.702 3.785 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(CNC(=O)c3cccs3)n2CC2(CCOC)CCCC2)C[C@@H]1C ZINC001313874526 1071428841 /nfs/dbraw/zinc/42/88/41/1071428841.db2.gz IOZMVNLPZYMETF-VQTJNVASSA-N 0 3 488.702 3.785 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3ccccn3)n2C[C@H]2CCCN2C(=O)OC(C)(C)C)C[C@H]1C ZINC001313875336 1071433860 /nfs/dbraw/zinc/43/38/60/1071433860.db2.gz RTTSYFDXRWOOMV-HSALFYBXSA-N 0 3 469.634 3.659 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(COc3ccc(C)c(C)c3)n2Cc2ccc(F)cn2)C[C@@H]1C ZINC001313874721 1071430328 /nfs/dbraw/zinc/43/03/28/1071430328.db2.gz JUKZFYTVWITCNH-PMACEKPBSA-N 0 3 452.578 3.975 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(COc3ccc(C)cc3)n2Cc2ccc(OC)nc2OC)C[C@H]1C ZINC001313874713 1071430414 /nfs/dbraw/zinc/43/04/14/1071430414.db2.gz JTBVYMJXPCYHNP-WOJBJXKFSA-N 0 3 480.613 3.545 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(COc3cc(C)cc(C)c3)n2Cc2ccc(OC)nc2)C[C@H]1C ZINC001313875133 1071432964 /nfs/dbraw/zinc/43/29/64/1071432964.db2.gz LHIXSNJLRQQBMC-NHCUHLMSSA-N 0 3 464.614 3.845 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(COc3ccc(Cl)cc3Cl)n2CCC(=O)NC(C)C)C[C@H]1C ZINC001313876376 1071437452 /nfs/dbraw/zinc/43/74/52/1071437452.db2.gz OJKJBTIJARQBLE-IAGOWNOFSA-N 0 3 497.471 3.998 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(-c3ccccn3)n2Cc2cc(COC(C)(C)C)on2)C[C@@H]1C ZINC001313876677 1071439246 /nfs/dbraw/zinc/43/92/46/1071439246.db2.gz VKOYANVHZYLSJZ-ZWKOTPCHSA-N 0 3 453.591 3.610 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(Cc3cccnc3)n2Cc2nc(C(F)(F)F)cs2)C[C@H]1C ZINC001313879028 1071446940 /nfs/dbraw/zinc/44/69/40/1071446940.db2.gz XYUSSVVRFOSSGY-HUUCEWRRSA-N 0 3 465.549 3.706 20 0 JHADHN CCN1C[C@H](C)N(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H](OC)c2ccc(Cl)cc2)C[C@H]1C ZINC001313881296 1071454321 /nfs/dbraw/zinc/45/43/21/1071454321.db2.gz BULIYUKUYUMLBW-WBZBWJJNSA-N 0 3 492.064 3.962 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc([C@H]3OCC[C@H]3COC)n2CCC2(COC)CCCC2)C[C@@H]1C ZINC001313884826 1071464087 /nfs/dbraw/zinc/46/40/87/1071464087.db2.gz NPWPDODBCLSXGR-LRSLUSHPSA-N 0 3 463.667 3.518 20 0 JHADHN CCN1C[C@H](C)N(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2Cc2occc2C)C[C@@H]1C ZINC001313884526 1071464217 /nfs/dbraw/zinc/46/42/17/1071464217.db2.gz MHEPIUSPHPLXRI-LWYYNNOASA-N 0 3 472.634 3.917 20 0 JHADHN CCN1C[C@H](C)N(c2nnc([C@H]3CCCO3)n2CC[C@H]2CCN(C(=O)OC(C)(C)C)C2)C[C@@H]1C ZINC001313884977 1071465921 /nfs/dbraw/zinc/46/59/21/1071465921.db2.gz ONRLEVUYUODMEI-UWHLTILDSA-N 0 3 476.666 3.696 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(CSc3ccccc3OC)n2Cc2ncnn2C(C)(C)C)C[C@H]1C ZINC001313886344 1071470786 /nfs/dbraw/zinc/47/07/86/1071470786.db2.gz SBKJBKLZCAURPO-RTBURBONSA-N 0 3 498.701 3.893 20 0 JHADHN CCN1CCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)[C@@H](CF)c1ccc(Br)cc1 ZINC001313896071 1071498589 /nfs/dbraw/zinc/49/85/89/1071498589.db2.gz CSADNLCQMNKQSL-MOPGFXCFSA-N 0 3 495.441 3.810 20 0 JHADHN CCN1CCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N(C)Cc1ccc(SC)c(OC)c1 ZINC001313898140 1071505161 /nfs/dbraw/zinc/50/51/61/1071505161.db2.gz ONRXYHJYHPGUIL-LJQANCHMSA-N 0 3 495.653 3.777 20 0 JHADHN CCN1CCCC[C@@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CC[C@@H](C)[C@@H](OC)C1 ZINC001313906896 1071525678 /nfs/dbraw/zinc/52/56/78/1071525678.db2.gz SQAZGBYVXAGQFO-PTUXOGIPSA-N 0 3 468.646 3.883 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(-c3cccc(OC(F)F)c3)nnc2N(C)[C@@H]2CCSC2)CC1 ZINC001313919586 1071557530 /nfs/dbraw/zinc/55/75/30/1071557530.db2.gz CRGUVOOMQOUIIE-PKOBYXMFSA-N 0 3 480.629 3.514 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(-c3cccc(OC(F)F)c3)nnc2N(C)[C@@H]2CCSC2)CC1 ZINC001313919583 1071557739 /nfs/dbraw/zinc/55/77/39/1071557739.db2.gz CRGUVOOMQOUIIE-IEBWSBKVSA-N 0 3 480.629 3.514 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(-c3cccc(OC(F)F)c3)nnc2N2CCC[C@@H]2CSC)CC1 ZINC001313920696 1071559539 /nfs/dbraw/zinc/55/95/39/1071559539.db2.gz LORUHLZVPIILAB-UYAOXDASSA-N 0 3 494.656 3.904 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(C)nnc2N(C)[C@H](CF)c2ccc(Br)cc2)CC1 ZINC001313921662 1071562399 /nfs/dbraw/zinc/56/23/99/1071562399.db2.gz SGLWPSGZYKIECY-OXJNMPFZSA-N 0 3 467.431 3.522 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(-c3cc(OC)cc(OC)c3)nnc2N(C)Cc2ccoc2C)CC1 ZINC001313922323 1071563647 /nfs/dbraw/zinc/56/36/47/1071563647.db2.gz VNJSSGRSKWPUMA-IBGZPJMESA-N 0 3 482.629 3.526 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(-c3cc(OC)cc(OC)c3)nnc2N2CCC[C@@H](C)CC2)CC1 ZINC001313922337 1071563847 /nfs/dbraw/zinc/56/38/47/1071563847.db2.gz VTIHYPMTPPHSEK-RTWAWAEBSA-N 0 3 470.662 3.615 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(-c3ccccc3C)nnc2N2CC(C)(C)OC(C)(C)C2)CC1 ZINC001313925339 1071572712 /nfs/dbraw/zinc/57/27/12/1071572712.db2.gz OMADTJQEKZWSMR-NRFANRHFSA-N 0 3 454.663 3.673 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(-c3ccc(Cl)cc3F)nnc2N(C)CCCSC)CC1 ZINC001313926288 1071576295 /nfs/dbraw/zinc/57/62/95/1071576295.db2.gz WSCVTIICZHEKCE-QGZVFWFLSA-N 0 3 469.074 3.953 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(COc3ccccc3F)nnc2N2CCS[C@@H](C(C)C)C2)CC1 ZINC001313926457 1071576385 /nfs/dbraw/zinc/57/63/85/1071576385.db2.gz CJJDRFISSPYSFX-NFBKMPQASA-N 0 3 490.693 3.600 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(COc3cccc(C)c3)nnc2N2CCC[C@@](C)(OC)CC2)CC1 ZINC001313926519 1071576750 /nfs/dbraw/zinc/57/67/50/1071576750.db2.gz DDPBSYNOBJTOPW-YIXXDRMTSA-N 0 3 484.689 3.587 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(-c3ccccc3Cl)nnc2N2C[C@H](C)OC(C)(C)C2)CC1 ZINC001313926777 1071577689 /nfs/dbraw/zinc/57/76/89/1071577689.db2.gz YCLFFTCGESVDGT-MOPGFXCFSA-N 0 3 461.054 3.628 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(CSc3ccccc3OC)nnc2N2CCC(F)(F)CC2)CC1 ZINC001313927257 1071579408 /nfs/dbraw/zinc/57/94/08/1071579408.db2.gz JPXALMLFEXKFES-LJQANCHMSA-N 0 3 494.656 3.841 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(CC(C)(C)C)nnc2N2CCO[C@H](c3cccc(F)c3)C2)CC1 ZINC001313927186 1071579422 /nfs/dbraw/zinc/57/94/22/1071579422.db2.gz HLEGFJKPNJWCEK-REWPJTCUSA-N 0 3 472.653 3.610 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(Cc3ccc(F)cc3)nnc2N2CCO[C@](C)(C(C)(C)C)C2)CC1 ZINC001313927611 1071580741 /nfs/dbraw/zinc/58/07/41/1071580741.db2.gz KQTFLJCCFVLEDR-ZBLYBZFDSA-N 0 3 486.680 3.675 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(C3CCCC3)nnc2N(C)Cc2ccc(Br)o2)CC1 ZINC001313928007 1071582060 /nfs/dbraw/zinc/58/20/60/1071582060.db2.gz LDZCOVDFOSDQIH-KRWDZBQOSA-N 0 3 479.467 3.954 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(COc3ccc(C(C)(C)C)cc3)nnc2N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001313928575 1071584556 /nfs/dbraw/zinc/58/45/56/1071584556.db2.gz UJYGOUVMOMKUGM-RJGXRXQPSA-N 0 3 498.716 3.794 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(COc3ccccc3F)nnc2N(C)C2CCCCC2)CC1 ZINC001313928744 1071584656 /nfs/dbraw/zinc/58/46/56/1071584656.db2.gz VXOLXYMCXJGBHX-FQEVSTJZSA-N 0 3 458.626 3.791 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(CC(C)C)nnc2N2CCC(C(F)(F)F)(C(F)(F)F)C2)CC1 ZINC001313929424 1071586871 /nfs/dbraw/zinc/58/68/71/1071586871.db2.gz RRWQAZGHZHIFII-MRXNPFEDSA-N 0 3 484.533 3.824 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(CC(C)(C)C)nnc2N2CCN(c3ccccc3F)C[C@@H]2C)CC1 ZINC001313930143 1071588935 /nfs/dbraw/zinc/58/89/35/1071588935.db2.gz QCUDWVNPHMAUCP-YADHBBJMSA-N 0 3 485.696 3.747 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(Cc3ccccc3C)nnc2N2C[C@@H](C)S[C@@H](C)C2)CC1 ZINC001313931769 1071592647 /nfs/dbraw/zinc/59/26/47/1071592647.db2.gz ZRUGUIBBBRWNIC-FDFHNCONSA-N 0 3 456.704 3.534 20 0 JHADHN CCN(Cc1c(F)cccc1F)c1nnc([C@H]2CCCCO2)n1C[C@H](C)N1CCN(CC)CC1 ZINC001313933519 1071598673 /nfs/dbraw/zinc/59/86/73/1071598673.db2.gz ZKDNPCGSKNNNNX-WMZHIEFXSA-N 0 3 476.616 3.850 20 0 JHADHN CCN1CCN([C@H]2CCN(c3nnc(C(C)(C)C)n3CC3(CCOC)CCCCC3)C2)CC1 ZINC001313943346 1071622633 /nfs/dbraw/zinc/62/26/33/1071622633.db2.gz REFLGTHJXPGUJE-QFIPXVFZSA-N 0 3 460.711 3.779 20 0 JHADHN CCN1CCN(c2nnc(COc3cc(C)ccc3C)n2CCCN2C[C@H](C)O[C@@H](C)C2)C[C@H]1C ZINC001313943309 1071622646 /nfs/dbraw/zinc/62/26/46/1071622646.db2.gz RKJBYSKDAGNKNV-SGNDLWITSA-N 0 3 484.689 3.504 20 0 JHADHN CCN1CCN([C@H]2CCN(c3nnc(Cc4ccsc4)n3CC(C)(C)C(F)(F)F)C2)CC1 ZINC001313947887 1071633005 /nfs/dbraw/zinc/63/30/05/1071633005.db2.gz DDYFLNXZXLHFLE-SFHVURJKSA-N 0 3 470.609 3.735 20 0 JHADHN CCN1CCN(C[C@H](C)Cn2c([C@H]3CCCO3)nnc2N(C)C[C@H](C)c2ccccc2)CC1 ZINC001313951030 1071640696 /nfs/dbraw/zinc/64/06/96/1071640696.db2.gz CTCUGPHRZCVRDA-WPFOTENUSA-N 0 3 454.663 3.643 20 0 JHADHN CCN1CCN(C[C@@H](C)Cn2c([C@@H](C)Oc3cccc(Cl)c3)nnc2N(C)C2CC2)CC1 ZINC001313951720 1071643030 /nfs/dbraw/zinc/64/30/30/1071643030.db2.gz VMBGLQDNCNFZJF-RTBURBONSA-N 0 3 461.054 3.944 20 0 JHADHN CCN1CCN(C[C@H](C)Cn2c(C(C)C)nnc2N2CCC[C@H](C(=O)c3ccc(F)cc3)C2)CC1 ZINC001313952203 1071644318 /nfs/dbraw/zinc/64/43/18/1071644318.db2.gz YFBMCLUMKVJQBQ-GMAHTHKFSA-N 0 3 484.664 3.914 20 0 JHADHN CCN1CCN(C[C@H](C)Cn2c([C@H]3CCCO3)nnc2N(C)[C@@H](C)c2ccc(F)c(F)c2)CC1 ZINC001313952595 1071646514 /nfs/dbraw/zinc/64/65/14/1071646514.db2.gz RYMQKOYTXYLPEY-SFYKDHMMSA-N 0 3 476.616 3.879 20 0 JHADHN CCN1CCN(C[C@H](C)Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)CCC(C)C)CC1 ZINC001313953318 1071648414 /nfs/dbraw/zinc/64/84/14/1071648414.db2.gz XMKMKSVQOWEGCH-YTFSRNRJSA-N 0 3 462.727 3.953 20 0 JHADHN CCN1CCN(C[C@H](C)Cn2c(Cc3ccc(F)cc3)nnc2N2CCSC(C)(C)C2)CC1 ZINC001313954192 1071650692 /nfs/dbraw/zinc/65/06/92/1071650692.db2.gz AXDKMLRXQSXUHU-FQEVSTJZSA-N 0 3 474.694 3.613 20 0 JHADHN CCN1CCN(C[C@@H](C)Cn2c(C3CCCC3)nnc2N2CCO[C@@](C)(C(C)(C)C)C2)CC1 ZINC001313954828 1071652875 /nfs/dbraw/zinc/65/28/75/1071652875.db2.gz QCULZOITKOAOTC-QFQXNSOFSA-N 0 3 460.711 3.851 20 0 JHADHN CCN1CCN(C[C@H](C)Cn2c(Cc3c(F)cccc3F)nnc2N2CC[C@H](C)[C@@H](C)C2)CC1 ZINC001313955844 1071656593 /nfs/dbraw/zinc/65/65/93/1071656593.db2.gz IVADBBOSSQYSPO-ACRUOGEOSA-N 0 3 474.644 3.903 20 0 JHADHN CCN1CCN(C[C@H](C)Cn2c(Cc3csc(C)n3)nnc2N2CCCC[C@@H](SC)C2)CC1 ZINC001313958089 1071662505 /nfs/dbraw/zinc/66/25/05/1071662505.db2.gz TVWZPJATRNKEHW-SIKLNZKXSA-N 0 3 491.775 3.629 20 0 JHADHN CCN1CCN(CCCn2c(CC(C)(C)C)nnc2N2CCC[C@@H](c3noc(C(C)C)n3)C2)CC1 ZINC001313956557 1071658066 /nfs/dbraw/zinc/65/80/66/1071658066.db2.gz HROUFXRUBLIWOU-OAQYLSRUSA-N 0 3 486.709 3.785 20 0 JHADHN CCN1CCN(C[C@H](C)Cn2c(Cc3ccncc3)nnc2N(C)Cc2ccccc2Cl)CC1 ZINC001313956870 1071658768 /nfs/dbraw/zinc/65/87/68/1071658768.db2.gz OEJYBEHNGXEQHL-NRFANRHFSA-N 0 3 482.076 3.827 20 0 JHADHN CCN1CCN(CCCn2c(CC(C)(C)C)nnc2N2CC[C@@H](c3ccccc3OC)C2)CC1 ZINC001313957352 1071659984 /nfs/dbraw/zinc/65/99/84/1071659984.db2.gz TZRWSYNXJJTCGT-JOCHJYFZSA-N 0 3 468.690 3.897 20 0 JHADHN CCN1CCN(CCCn2c(CC(C)(C)C)nnc2N2CCCO[C@H](c3ccccc3)C2)CC1 ZINC001313957372 1071660103 /nfs/dbraw/zinc/66/01/03/1071660103.db2.gz UIIJKXLSCJYDIV-DEOSSOPVSA-N 0 3 468.690 3.862 20 0 JHADHN 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ZINC001313961008 1071671613 /nfs/dbraw/zinc/67/16/13/1071671613.db2.gz OMVOMXXTSOUOHR-UHFFFAOYSA-N 0 3 484.501 3.561 20 0 JHADHN CCN1CCN(CCCn2c(COc3cc(C)cc(C)c3)nnc2N2C[C@@H](C)S[C@H](C)C2)CC1 ZINC001313961539 1071672747 /nfs/dbraw/zinc/67/27/47/1071672747.db2.gz ULJOYISSJOQPAB-DHIUTWEWSA-N 0 3 486.730 3.832 20 0 JHADHN CCOC(=O)N(C)C1CCN(c2nnc(CC(C)C)n2C[C@H](c2ccccc2)N(C)C)CC1 ZINC001314016915 1071761656 /nfs/dbraw/zinc/76/16/56/1071761656.db2.gz UPCDILXVGFCYNZ-JOCHJYFZSA-N 0 3 456.635 3.837 20 0 JHADHN CCOC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCN2CC=CCC2)C1 ZINC001314030467 1071802172 /nfs/dbraw/zinc/80/21/72/1071802172.db2.gz CSGDRXYGNAEKMO-IBGZPJMESA-N 0 3 490.555 3.523 20 0 JHADHN CCOC(=O)N[C@@H]1CCCN(c2nnc(CC(C)(C)C)n2C[C@H](c2ccccc2)N(C)C)C1 ZINC001314037716 1071831394 /nfs/dbraw/zinc/83/13/94/1071831394.db2.gz ATETXLCKNYYREU-NHCUHLMSSA-N 0 3 456.635 3.885 20 0 JHADHN CCOC(C)(C)Cn1c(-c2cc(Br)cn2C)nnc1N1C[C@@H](C)N(CC)C[C@H]1C ZINC001314042803 1071850133 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/nfs/dbraw/zinc/01/14/85/1069011485.db2.gz XIYKLAOQWDWTEO-OSUDOFKYSA-N 0 3 464.658 3.853 20 0 JHADHN CCCC(=O)Nc1ccc(Cn2c(COCC)nnc2N2CCN(C3CCCC3)CC2)cc1 ZINC001306495804 1069040958 /nfs/dbraw/zinc/04/09/58/1069040958.db2.gz UWFOMQRXSKVZBF-UHFFFAOYSA-N 0 3 454.619 3.666 20 0 JHADHN CCN1CCN(c2cccc(NC(=O)N3CCC[C@@]34CCN(C(=O)OC(C)(C)C)C4)c2)CC1 ZINC001310598324 1069042154 /nfs/dbraw/zinc/04/21/54/1069042154.db2.gz YDMFTMDUKHQIBY-VWLOTQADSA-N 0 3 457.619 3.836 20 0 JHADHN CCN1CCN(c2cccc(NC(=O)NC[C@@H]3CSCCN3Cc3ccccc3)c2)CC1 ZINC001310598072 1069042257 /nfs/dbraw/zinc/04/22/57/1069042257.db2.gz VPXCYCNKHXGMPX-XMMPIXPASA-N 0 3 453.656 3.568 20 0 JHADHN CCCC(=O)N[C@H]1CCCN(c2nnc(C(C)(C)C)n2C[C@H](c2cccc(F)c2)N(C)C)C1 ZINC001306497648 1069047621 /nfs/dbraw/zinc/04/76/21/1069047621.db2.gz XSHCYGIEOFEVNP-LEWJYISDSA-N 0 3 458.626 3.903 20 0 JHADHN CCCC(=O)N[C@H]1CCCN(c2nnc(C3CCCC3)n2CCN(C)Cc2ccccc2)C1 ZINC001306501289 1069063767 /nfs/dbraw/zinc/06/37/67/1069063767.db2.gz DITLNTSDGKTBES-QHCPKHFHSA-N 0 3 452.647 3.953 20 0 JHADHN COc1cc(I)ccc1NC(=O)N[C@H](CN(C)C)c1ccc(F)cc1 ZINC001310788368 1069162751 /nfs/dbraw/zinc/16/27/51/1069162751.db2.gz XAHGGZNADMIESX-MRXNPFEDSA-N 0 3 457.287 3.863 20 0 JHADHN O=C(Nc1ccc(Cl)cc1OCC(F)F)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC001310824122 1069179128 /nfs/dbraw/zinc/17/91/28/1069179128.db2.gz SPOZJDWCZIYWDG-AEFFLSMTSA-N 0 3 453.917 3.988 20 0 JHADHN CCC[C@@](C)(O)Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001306540494 1069188676 /nfs/dbraw/zinc/18/86/76/1069188676.db2.gz IHIMOSUAZKWCOP-RUZDIDTESA-N 0 3 476.065 3.622 20 0 JHADHN CCC[C@H](C)C(=O)NCCn1c(-c2cccc3cccnc32)nnc1N1C[C@@H](C)N(CC)C[C@H]1C ZINC001306546206 1069203070 /nfs/dbraw/zinc/20/30/70/1069203070.db2.gz AQQFIRFGHDWJDM-PWRODBHTSA-N 0 3 477.657 3.965 20 0 JHADHN CCC[C@@H](C)CN(C)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC001306556562 1069224905 /nfs/dbraw/zinc/22/49/05/1069224905.db2.gz TWKXTXIZQRUPDV-ISKFKSNPSA-N 0 3 482.673 3.678 20 0 JHADHN CCC[C@@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1C[C@@H](c1cccc(OC)c1)N(C)C ZINC001306577740 1069243150 /nfs/dbraw/zinc/24/31/50/1069243150.db2.gz RHBJOVYBQXAEMB-UTKZUKDTSA-N 0 3 468.602 3.942 20 0 JHADHN CCC[C@H]1CN(c2nnc(C(C)C)n2CC2CCN(CC(F)(F)F)CC2)CCN1CCOC ZINC001306616956 1069298991 /nfs/dbraw/zinc/29/89/91/1069298991.db2.gz IUYJYVCSXSGFFU-FQEVSTJZSA-N 0 3 474.616 3.613 20 0 JHADHN CCC[C@H]1CN(c2nnc(-c3cnccn3)n2C[C@@H](C)c2ccc(F)cc2)CCN1CCOC ZINC001306619460 1069303533 /nfs/dbraw/zinc/30/35/33/1069303533.db2.gz BEZMDFMMCLLAOS-KNQAVFIVSA-N 0 3 467.593 3.615 20 0 JHADHN CCC[C@@H]1CN(c2nnc(-c3cccnc3)n2CCc2sc(C)nc2C)CCN1CCOC ZINC001306620135 1069305678 /nfs/dbraw/zinc/30/56/78/1069305678.db2.gz FBLNBDPKCUOWJP-OAQYLSRUSA-N 0 3 469.659 3.593 20 0 JHADHN CCC[C@H]1CN(c2nnc(-c3ccc(C)o3)n2Cc2nnc(C(C)(C)C)s2)CCN1CCOC ZINC001306621297 1069309851 /nfs/dbraw/zinc/30/98/51/1069309851.db2.gz XRRRBFCJSLDHBP-SFHVURJKSA-N 0 3 487.674 3.981 20 0 JHADHN O=C1OC2(CCN(Cc3ccccc3)CC2)c2cnc(Cl)c(N3CC[C@H]4COC[C@H]4C3)c21 ZINC001164387194 718818597 /nfs/dbraw/zinc/81/85/97/718818597.db2.gz DZZCKMPFGKLRSL-RBUKOAKNSA-N 0 3 453.970 3.869 20 0 JHADHN c1csc(-c2csc3nc(CN4CCCCC4)nc(N4CC[C@@H]5NCCO[C@H]5C4)c23)c1 ZINC001164390104 718825084 /nfs/dbraw/zinc/82/50/84/718825084.db2.gz MKHKHEYHCILVBP-ROUUACIJSA-N 0 3 455.653 3.973 20 0 JHADHN c1ccc(-c2ccc(-c3ccc(N4CCN5C[C@H](Oc6cncnc6)C[C@H]5C4)nn3)cc2)cc1 ZINC001164740966 720783209 /nfs/dbraw/zinc/78/32/09/720783209.db2.gz LUCWGURPAPDUFD-BJKOFHAPSA-N 0 3 450.546 3.943 20 0 JHADHN O=C(Nc1cccc(Cl)c1)c1ccc(N2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)nc1 ZINC001164878935 721146099 /nfs/dbraw/zinc/14/60/99/721146099.db2.gz QVRFMEUPUUDBHH-XZOQPEGZSA-N 0 3 463.969 3.862 20 0 JHADHN CCOC(=O)c1sc2ncnc(N3CCN4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)c2c1C ZINC001164896256 721509106 /nfs/dbraw/zinc/50/91/06/721509106.db2.gz ABIJWUDBHNDNHU-AEFFLSMTSA-N 0 3 456.543 3.657 20 0 JHADHN O=C(NCCSCc1ccco1)c1cccnc1N1CCN2C[C@H](Oc3cccc(F)c3)C[C@H]2C1 ZINC001164909893 721543066 /nfs/dbraw/zinc/54/30/66/721543066.db2.gz SHWUJHVOMJGUCE-NZQKXSOJSA-N 0 3 496.608 3.819 20 0 JHADHN CCOC(=O)c1nc2ccccc2c(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)n1 ZINC001164904918 721586091 /nfs/dbraw/zinc/58/60/91/721586091.db2.gz HPZGQXPHSWMSSR-XMMPIXPASA-N 0 3 467.520 3.939 20 0 JHADHN CCOC(=O)c1ccc(C(F)(F)N2CCC3(CC2)COCCN(Cc2ccncc2)C3)c(Cl)n1 ZINC001164963284 722058845 /nfs/dbraw/zinc/05/88/45/722058845.db2.gz VNFUAJQPXUCZFO-UHFFFAOYSA-N 0 3 494.970 3.971 20 0 JHADHN CC(C)(C)OC(=O)Nc1ccc(N2CCC3(CC2)COCCN(Cc2ccncc2)C3)nc1 ZINC001164960039 722059202 /nfs/dbraw/zinc/05/92/02/722059202.db2.gz FCTQDXQTJJTDRI-UHFFFAOYSA-N 0 3 453.587 3.943 20 0 JHADHN O=C(NCc1ccccc1)c1cc(Cl)nc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164986455 722106209 /nfs/dbraw/zinc/10/62/09/722106209.db2.gz ZBAIBAZEHWVAKY-UPVQGACJSA-N 0 3 492.023 3.787 20 0 JHADHN c1ccc2c(c1)nc(-c1cccnc1)nc2N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164981715 722139543 /nfs/dbraw/zinc/13/95/43/722139543.db2.gz QEWJPVWPBVMQCR-RCZVLFRGSA-N 0 3 452.562 3.814 20 0 JHADHN c1ccc(-c2nc3ccccc3c(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)n2)nc1 ZINC001164984182 722141104 /nfs/dbraw/zinc/14/11/04/722141104.db2.gz WEHAUYUOZLJNAY-SQJMNOBHSA-N 0 3 452.562 3.814 20 0 JHADHN O=C(NC1CCCC1)c1cnc(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c(Cl)c1 ZINC001164985477 722143880 /nfs/dbraw/zinc/14/38/80/722143880.db2.gz ZPOZKSBFSBZLDD-AUSIDOKSSA-N 0 3 470.017 3.530 20 0 JHADHN Clc1nnc(Cl)c(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c1N1CCCCC1 ZINC001164973085 722158686 /nfs/dbraw/zinc/15/86/86/722158686.db2.gz LAPNKMVMJWCPSO-RBUKOAKNSA-N 0 3 477.440 3.896 20 0 JHADHN CN(C)[C@@H](CNC(=O)Nc1ccnc([C@H]2CCCN2C(=O)OC(C)(C)C)n1)c1ccccc1 ZINC001311327291 1069324979 /nfs/dbraw/zinc/32/49/79/1069324979.db2.gz QLRWNMMYUQYUFM-MOPGFXCFSA-N 0 3 454.575 3.973 20 0 JHADHN CCC[C@H]1CN(c2nnc(CC(C)C)n2Cc2ccc3c(c2)OC(C)(C)O3)CCN1CCOC ZINC001306628548 1069326778 /nfs/dbraw/zinc/32/67/78/1069326778.db2.gz GNGQKNQUFGTSKD-NRFANRHFSA-N 0 3 471.646 3.969 20 0 JHADHN COc1ccc([C@H](CNC(=O)N[C@H]2CCN(c3ccccc3Cl)C2=O)N2CCCC2)cc1 ZINC001311343276 1069330692 /nfs/dbraw/zinc/33/06/92/1069330692.db2.gz CREMUIAJECQQEE-UNMCSNQZSA-N 0 3 456.974 3.590 20 0 JHADHN COc1ccc([C@@H](CNC(=O)N[C@H]2CCN(c3ccccc3Cl)C2=O)N2CCCC2)cc1 ZINC001311343274 1069330792 /nfs/dbraw/zinc/33/07/92/1069330792.db2.gz CREMUIAJECQQEE-RBBKRZOGSA-N 0 3 456.974 3.590 20 0 JHADHN CCC[C@@H]1CN(c2nnc(CC(C)(C)C)n2C[C@H]2CCCn3cc(C)nc32)CCN1CCOC ZINC001306632001 1069333088 /nfs/dbraw/zinc/33/30/88/1069333088.db2.gz VROMGCVUSZLBLP-FGZHOGPDSA-N 0 3 471.694 3.886 20 0 JHADHN CCC[C@@H]1CN(c2nnc(CC(C)(C)C)n2C[C@@H]2CCCn3cc(C)nc32)CCN1CCOC ZINC001306632000 1069333160 /nfs/dbraw/zinc/33/31/60/1069333160.db2.gz VROMGCVUSZLBLP-FCHUYYIVSA-N 0 3 471.694 3.886 20 0 JHADHN CCN1CCN(Cc2ccc(CNC(=O)NCCCc3c[nH]c4ccc(F)cc34)cc2)CC1 ZINC001311358603 1069342890 /nfs/dbraw/zinc/34/28/90/1069342890.db2.gz SIUYPJLIRVVILQ-UHFFFAOYSA-N 0 3 451.590 3.877 20 0 JHADHN CCCCCn1c(-c2cccc(Br)c2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001306641804 1069353224 /nfs/dbraw/zinc/35/32/24/1069353224.db2.gz REEYXSQWGGHYNC-FQEVSTJZSA-N 0 3 489.462 3.641 20 0 JHADHN Cc1cccc([C@@H](CNC(=O)N[C@@H](CN(C)Cc2ccccc2)C(C)C)N2CCOCC2)c1 ZINC001311389779 1069357779 /nfs/dbraw/zinc/35/77/79/1069357779.db2.gz AKLKFWATCHHOIK-IZZNHLLZSA-N 0 3 452.643 3.824 20 0 JHADHN CC[C@@H](CNC(=O)NC[C@H](c1ccc(C)cc1)N1CCOCC1)N1CCc2ccccc2C1 ZINC001311394379 1069359662 /nfs/dbraw/zinc/35/96/62/1069359662.db2.gz BIWLXSCPRBFAOI-IZZNHLLZSA-N 0 3 450.627 3.504 20 0 JHADHN CC(C)Oc1ccc([C@H](CNC(=O)N[C@@H](CN2CCCC2=O)c2ccccc2)N(C)C)cc1 ZINC001311405554 1069364488 /nfs/dbraw/zinc/36/44/88/1069364488.db2.gz QAMVBZOEGIVXDL-ZEQRLZLVSA-N 0 3 452.599 3.739 20 0 JHADHN CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2CN(C(=O)NCCCN3CCc4ccccc4C3)C[C@H]21 ZINC001311405490 1069364580 /nfs/dbraw/zinc/36/45/80/1069364580.db2.gz WICIJDLZRLNQIS-YTFSRNRJSA-N 0 3 456.631 3.770 20 0 JHADHN CN(C)[C@@H](CNC(=O)N1CCN(Cc2ccc(OC(F)(F)F)cc2)CC1)c1ccccc1 ZINC001311418871 1069367900 /nfs/dbraw/zinc/36/79/00/1069367900.db2.gz NLPKESWERRLHCV-NRFANRHFSA-N 0 3 450.505 3.715 20 0 JHADHN CN1CCN(CCCNC(=O)N2CCC[C@@H]2C[C@H](O)c2cccs2)[C@@H](c2ccccc2)C1 ZINC001311422778 1069371002 /nfs/dbraw/zinc/37/10/02/1069371002.db2.gz JPVSXOMTENVNCA-ZLNRFVROSA-N 0 3 456.656 3.724 20 0 JHADHN CCCCCn1cc(Cn2c(C(=O)NC(C)C)nnc2N2CCN(C3CCCCC3)CC2)c(C)n1 ZINC001306658113 1069372652 /nfs/dbraw/zinc/37/26/52/1069372652.db2.gz YCBJQGIWDUQNNB-UHFFFAOYSA-N 0 3 484.693 3.614 20 0 JHADHN COc1ccc(C[C@@H](C)CN(C)C(=O)NCCCN2CCN(C)C[C@H]2c2ccccc2)cc1 ZINC001311424174 1069372713 /nfs/dbraw/zinc/37/27/13/1069372713.db2.gz PYMDNIIPXUPSES-GJZUVCINSA-N 0 3 452.643 3.894 20 0 JHADHN CO[C@@](C)(CNC(=O)NCCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1)C1CC1 ZINC001311452976 1069386082 /nfs/dbraw/zinc/38/60/82/1069386082.db2.gz UPABFKQHKWPHFZ-QFIPXVFZSA-N 0 3 456.553 3.722 20 0 JHADHN CCN(CC)[C@H](CNC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1=O)c1cccc(OC)c1 ZINC001311468976 1069392493 /nfs/dbraw/zinc/39/24/93/1069392493.db2.gz GGRWLNZURNCENP-BJKOFHAPSA-N 0 3 452.599 3.521 20 0 JHADHN CCCCN(C)C(=O)C1CCN(c2nnc(CC)n2C[C@H](c2cccc(F)c2)N(C)C)CC1 ZINC001306665984 1069393196 /nfs/dbraw/zinc/39/31/96/1069393196.db2.gz RMUBNAIYFYALDN-JOCHJYFZSA-N 0 3 458.626 3.757 20 0 JHADHN CCCCN(C)CCn1c(-c2cc(C)nc3ccccc32)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 ZINC001306682027 1069411955 /nfs/dbraw/zinc/41/19/55/1069411955.db2.gz ZZFNVIXTZMPBPE-HXUWFJFHSA-N 0 3 484.670 3.547 20 0 JHADHN CCCCN(C)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H]1C1CCC1 ZINC001306683214 1069415996 /nfs/dbraw/zinc/41/59/96/1069415996.db2.gz VOSIHZSHAYYTBZ-JOCHJYFZSA-N 0 3 459.660 3.849 20 0 JHADHN Cc1ccc(NC(=O)NC[C@H]2CCCN(C(=O)NC[C@H](Cc3ccccc3)N(C)C)C2)cc1 ZINC001311569422 1069442245 /nfs/dbraw/zinc/44/22/45/1069442245.db2.gz WBBGUORCMQRNPC-VWNXMTODSA-N 0 3 451.615 3.711 20 0 JHADHN CCc1ccc([C@H](CNC(=O)N(Cc2cncs2)C2CCN(C(C)=O)CC2)N(C)C)cc1 ZINC001311573851 1069445185 /nfs/dbraw/zinc/44/51/85/1069445185.db2.gz WONXWLDIPDLARO-QHCPKHFHSA-N 0 3 457.644 3.531 20 0 JHADHN O=C(NC[C@@H](c1cccs1)N1CCCC1)N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC001311574055 1069445068 /nfs/dbraw/zinc/44/50/68/1069445068.db2.gz ARRJECXTEBGBPW-ROUUACIJSA-N 0 3 450.967 3.782 20 0 JHADHN C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCCN1C(=O)NCC1(N2CCSCC2)CCCC1 ZINC001311585156 1069451190 /nfs/dbraw/zinc/45/11/90/1069451190.db2.gz YBQIYTVSIPXLTH-RTBURBONSA-N 0 3 454.681 3.825 20 0 JHADHN CCCCn1cc(Cn2c([C@@H]3CCOC3)nnc2N2CCN(CCC(C)(C)C)CC2)c(C)n1 ZINC001306720905 1069456175 /nfs/dbraw/zinc/45/61/75/1069456175.db2.gz YSGWRIBOLJMTOJ-OAQYLSRUSA-N 0 3 457.667 3.694 20 0 JHADHN CCCCN1CCCC[C@@H]1Cn1c(-c2ccc(C)o2)nnc1N(C)[C@H](C)[C@H](C)S(C)(=O)=O ZINC001306723507 1069463416 /nfs/dbraw/zinc/46/34/16/1069463416.db2.gz SRXINPPTCOBOMW-HSALFYBXSA-N 0 3 465.664 3.759 20 0 JHADHN CN(C)CCN(CC(=O)N(C)C)C(=O)N[C@H](c1ccccc1)c1ccc(Cl)c(Cl)c1 ZINC001311620600 1069471581 /nfs/dbraw/zinc/47/15/81/1069471581.db2.gz SUGUGSCUHWHPQH-OAQYLSRUSA-N 0 3 451.398 3.744 20 0 JHADHN O=C(NCCCCN1CCN(Cc2ccccc2)CC1)N1CC[C@@H](COc2ccccc2)C1 ZINC001311629877 1069478242 /nfs/dbraw/zinc/47/82/42/1069478242.db2.gz IDFVOJVORJMIMG-RUZDIDTESA-N 0 3 450.627 3.695 20 0 JHADHN O=C(NCCCCN1CCN(Cc2ccccc2)CC1)N1CCCC[C@H](C2CCOCC2)C1 ZINC001311630243 1069478803 /nfs/dbraw/zinc/47/88/03/1069478803.db2.gz MXQMIGCYPPGMHX-SANMLTNESA-N 0 3 456.675 3.823 20 0 JHADHN CCCCNC(=O)[C@H]1CC[C@@H](C)N(c2nnc(-c3ccccc3OC)n2CCN2CC=CCC2)C1 ZINC001306738431 1069509672 /nfs/dbraw/zinc/50/96/72/1069509672.db2.gz ZTCRCNRVQNBYSO-YADHBBJMSA-N 0 3 480.657 3.737 20 0 JHADHN C[C@H](c1ccccc1)N1CC[C@H](NC(=O)N2CCN([C@H](CO)c3ccc(Cl)cc3)CC2)C1 ZINC001311711811 1069513900 /nfs/dbraw/zinc/51/39/00/1069513900.db2.gz FQYDSOGEQVPZKN-VEXUSMLFSA-N 0 3 457.018 3.536 20 0 JHADHN CCN(CC)[C@H](CNC(=O)N1CCC(CCO)(CCO)CC1)c1ccc(C(F)(F)F)cc1 ZINC001311719379 1069517779 /nfs/dbraw/zinc/51/77/79/1069517779.db2.gz TVEHTJJJIUYHJF-HXUWFJFHSA-N 0 3 459.553 3.645 20 0 JHADHN Cc1ccc([C@@H](CNC(=O)NCc2ccc(S(C)(=O)=O)c(C(F)(F)F)c2)N(C)C)cc1 ZINC001311744590 1069530682 /nfs/dbraw/zinc/53/06/82/1069530682.db2.gz IOHRGBCJGZKTHA-GOSISDBHSA-N 0 3 457.518 3.519 20 0 JHADHN CCOc1ccc(C(=O)N2CCC(NC(=O)N[C@H](C)CN(C)Cc3ccccc3)CC2)cc1 ZINC001311770750 1069540102 /nfs/dbraw/zinc/54/01/02/1069540102.db2.gz QJDORQRGPJKASD-HXUWFJFHSA-N 0 3 452.599 3.510 20 0 JHADHN Cc1ccc(CN2CC[C@@H](NC(=O)N[C@@H]3CCN(c4ccc(Br)cc4)C3)C2)cc1 ZINC001311883805 1069595628 /nfs/dbraw/zinc/59/56/28/1069595628.db2.gz GDIWZUJUCMYQGX-NHCUHLMSSA-N 0 3 457.416 3.910 20 0 JHADHN CCO[C@]1(c2nnc(N3CCS[C@H](C)[C@H]3C)n2C[C@H](c2ccccc2)N(C)C)CCOC1 ZINC001314146094 1069599407 /nfs/dbraw/zinc/59/94/07/1069599407.db2.gz VFNFBTHXCWEMDI-ISQLDUATSA-N 0 3 459.660 3.563 20 0 JHADHN CCCN(Cc1ccc(F)cc1F)c1nnc([C@@H]2CCOC2)n1CCN1CCN(C)C(C)(C)C1 ZINC001306814702 1069635650 /nfs/dbraw/zinc/63/56/50/1069635650.db2.gz SCCGNCAHCNCSEK-HXUWFJFHSA-N 0 3 476.616 3.503 20 0 JHADHN CN(C)CCn1cc(NC(=O)C[C@@H]2CCN(C(=O)OC(C)(C)C)c3ccccc32)ccc1=O ZINC001306817736 1069639732 /nfs/dbraw/zinc/63/97/32/1069639732.db2.gz AXYNWFOXFANWPK-SFHVURJKSA-N 0 3 454.571 3.668 20 0 JHADHN Cc1cc(NC(=O)CCC(=O)Nc2nnc(C(C)C)s2)cc(N2CCN(C(C)C)CC2)c1 ZINC001306825706 1069645842 /nfs/dbraw/zinc/64/58/42/1069645842.db2.gz HMEDISYUSQXAHJ-UHFFFAOYSA-N 0 3 458.632 3.858 20 0 JHADHN C[C@H](CNC(=O)N1CCn2c(Cc3ccccc3Cl)nnc2C1)N(C)Cc1ccccc1 ZINC001311986437 1069651507 /nfs/dbraw/zinc/65/15/07/1069651507.db2.gz KJQQHRVJHFHDBK-GOSISDBHSA-N 0 3 452.990 3.568 20 0 JHADHN CCOc1ccccc1[C@@](N)(C(=O)NC[C@H](c1ccc(SC)cc1)N(C)C)C(F)(F)F ZINC001306849523 1069658441 /nfs/dbraw/zinc/65/84/41/1069658441.db2.gz URYDNDCPHGAWIE-WIYYLYMNSA-N 0 3 455.546 3.943 20 0 JHADHN CCOc1ccc(-c2nnc(N(C)[C@@H]3CCOC3)n2C[C@@H](c2ccsc2)N(C)C)cc1OC ZINC001314165279 1069661498 /nfs/dbraw/zinc/66/14/98/1069661498.db2.gz YGPNULXYIJJJOZ-UXHICEINSA-N 0 3 471.627 3.942 20 0 JHADHN O=C(N[C@H](CN1CCCCC1)c1ccccc1)N1CCCN(C(=O)c2ccc(F)cc2)CC1 ZINC001312010748 1069667539 /nfs/dbraw/zinc/66/75/39/1069667539.db2.gz FDTJYFWHJZHWTC-XMMPIXPASA-N 0 3 452.574 3.910 20 0 JHADHN O=C(N[C@@H](CN1CCCCC1)c1ccccc1)N1CCN(Cc2ccc(Cl)cc2)C(=O)C1 ZINC001312011474 1069668231 /nfs/dbraw/zinc/66/82/31/1069668231.db2.gz IZWCNVHHVFUCDT-QHCPKHFHSA-N 0 3 455.002 3.921 20 0 JHADHN CCOc1ccc(-c2nnc(N3CC[C@H](N4CCN(C(C)C)CC4)C3)n2CC(F)(F)F)cc1OC ZINC001314174754 1069699383 /nfs/dbraw/zinc/69/93/83/1069699383.db2.gz AKVNHYBYLOYJQK-IBGZPJMESA-N 0 3 496.578 3.519 20 0 JHADHN O=C(NC[C@H]1CCN1C1CCOCC1)NCC1(c2ccc(Br)cc2)CCCC1 ZINC001312080967 1069710957 /nfs/dbraw/zinc/71/09/57/1069710957.db2.gz HVMLITNHKOXVMO-HXUWFJFHSA-N 0 3 450.421 3.813 20 0 JHADHN CC(C)(CNC(=O)NC[C@H]1CCN1C1CCOCC1)Sc1ccc(Br)cc1 ZINC001312095865 1069718474 /nfs/dbraw/zinc/71/84/74/1069718474.db2.gz VJXSMPOYTYPNIU-QGZVFWFLSA-N 0 3 456.450 3.872 20 0 JHADHN CCCn1c(-c2ccc(Br)s2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 ZINC001307017932 1069727290 /nfs/dbraw/zinc/72/72/90/1069727290.db2.gz DGKPYGSLCBVDAK-WBVHZDCISA-N 0 3 495.491 3.558 20 0 JHADHN CCCN(C)[C@H](CNC(=O)NCCCN1C(=O)COc2ccccc21)c1ccc(Cl)cc1 ZINC001312126727 1069734353 /nfs/dbraw/zinc/73/43/53/1069734353.db2.gz BOABDKRKNNIFSV-OAQYLSRUSA-N 0 3 458.990 3.838 20 0 JHADHN CCOc1ccc(Cn2c(C(=O)NC(CC)CC)nnc2N2C[C@@H](C)N(CC)C[C@H]2C)cc1 ZINC001314185100 1069737087 /nfs/dbraw/zinc/73/70/87/1069737087.db2.gz DJQRDPDVURHBNI-RTBURBONSA-N 0 3 456.635 3.562 20 0 JHADHN CCCN1CC[C@H](Cn2c([C@@H](CC)c3ccccc3)nnc2N(CC)[C@@H]2CCS(=O)(=O)C2)C1 ZINC001307034781 1069751433 /nfs/dbraw/zinc/75/14/33/1069751433.db2.gz RMWMXFQTJIZINW-WWNPGLIZSA-N 0 3 473.687 3.565 20 0 JHADHN CC1(C)[C@H](NC(=O)NCc2ccccc2CN2CCC(O)CC2)C[C@H]1OCc1ccccc1 ZINC001312205282 1069780086 /nfs/dbraw/zinc/78/00/86/1069780086.db2.gz KZKJSUYHWZDVFY-JWQCQUIFSA-N 0 3 451.611 3.826 20 0 JHADHN CCOc1ccc2c(c1)CN(c1nnc(C(=O)NC(CC)CC)n1CCN1CCC[C@H](C)C1)CC2 ZINC001314201486 1069796616 /nfs/dbraw/zinc/79/66/16/1069796616.db2.gz RUCFQBNGELWVMS-FQEVSTJZSA-N 0 3 482.673 3.890 20 0 JHADHN CCN(CCO)CCNC(=O)N[C@H](C)c1sc(-c2ccccc2Br)nc1C ZINC001312246547 1069806125 /nfs/dbraw/zinc/80/61/25/1069806125.db2.gz IFDVUWPJYLTIME-CQSZACIVSA-N 0 3 455.422 3.555 20 0 JHADHN C[C@H]1C[C@@H](NC(=O)N2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)CN1Cc1ccccc1 ZINC001312254869 1069812321 /nfs/dbraw/zinc/81/23/21/1069812321.db2.gz UTNLSUMSCZDROV-LAUBAEHRSA-N 0 3 455.990 3.758 20 0 JHADHN CCOc1cccc(CCn2c([C@H]3OCC[C@H]3COC)nnc2N2C[C@@H](C)N(CC)C[C@H]2C)c1 ZINC001314206431 1069818535 /nfs/dbraw/zinc/81/85/35/1069818535.db2.gz JSOMHWRNWQXSJG-WOOVXOMTSA-N 0 3 471.646 3.562 20 0 JHADHN COc1ccccc1N1CC[C@@H](NC(=O)NC[C@H](c2ccc(CC(C)C)cc2)N(C)C)C1=O ZINC001312280202 1069833804 /nfs/dbraw/zinc/83/38/04/1069833804.db2.gz QKTKYUVTLNVPFU-FYYLOGMGSA-N 0 3 452.599 3.601 20 0 JHADHN CCc1nn(C)c(CC)c1CNC(=O)N(CCN(C)C)Cc1ccc(Br)cc1 ZINC001312324540 1069863471 /nfs/dbraw/zinc/86/34/71/1069863471.db2.gz QBWUXKOJELLYNF-UHFFFAOYSA-N 0 3 450.425 3.581 20 0 JHADHN CCOc1ncccc1Cn1c(-c2ccc(OC)cc2)nnc1N1C[C@H](C)N(CC)C[C@@H]1C ZINC001314232240 1069921184 /nfs/dbraw/zinc/92/11/84/1069921184.db2.gz WAAQXURNWPEVSB-OALUTQOASA-N 0 3 450.587 3.715 20 0 JHADHN C[C@H](NC(=O)NC[C@@]1(O)CCN(Cc2ccccc2)C1)c1cc(Cl)ccc1OC(F)F ZINC001312430250 1069931723 /nfs/dbraw/zinc/93/17/23/1069931723.db2.gz QBRODIGAYYYHGE-NYHFZMIOSA-N 0 3 453.917 3.939 20 0 JHADHN CCO[C@@H]1C[C@H](N(C)c2nnc(C(=O)NC(C)C)n2C[C@@H](c2ccccc2)N2CCCC2)C1(C)C ZINC001314240703 1069942592 /nfs/dbraw/zinc/94/25/92/1069942592.db2.gz UCQWEJMABRQDJR-RJGXRXQPSA-N 0 3 482.673 3.893 20 0 JHADHN CCO[C@@H]1C[C@H](N(C)c2nnc(-c3cccc(OC)c3)n2C[C@H](C)N2CCN(CC)CC2)C1(C)C ZINC001314242581 1069947495 /nfs/dbraw/zinc/94/74/95/1069947495.db2.gz HRGQLMQILMEBGP-NKKJXINNSA-N 0 3 484.689 3.620 20 0 JHADHN O=C(NCc1cc(-c2ccc(F)cc2F)on1)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC001312501405 1069976477 /nfs/dbraw/zinc/97/64/77/1069976477.db2.gz UTJDDWYBIRJENF-HXUWFJFHSA-N 0 3 456.493 3.710 20 0 JHADHN Cc1noc([C@H]2CCCN(CC[C@@H](NS(=O)(=O)c3ccc(C)cc3)c3ccccc3)C2)n1 ZINC001307426776 1069979994 /nfs/dbraw/zinc/97/99/94/1069979994.db2.gz PSHAWLVTLHQHON-JTHBVZDNSA-N 0 3 454.596 3.976 20 0 JHADHN CCO[C@@H]1C[C@@H](N(C)c2nnc(Cc3ccc(F)cc3)n2C[C@H](C)N2CCN(CC)CC2)C1(C)C ZINC001314256334 1069992359 /nfs/dbraw/zinc/99/23/59/1069992359.db2.gz ODWDDGQEKOPFBZ-TUACAJSNSA-N 0 3 486.680 3.674 20 0 JHADHN C[C@H](C(=O)Nc1cccc(CSc2ccccn2)c1)N1CCN(CC2CCOCC2)CC1 ZINC001307484405 1070011245 /nfs/dbraw/zinc/01/12/45/1070011245.db2.gz HXWCFFMOWFBFDS-HXUWFJFHSA-N 0 3 454.640 3.745 20 0 JHADHN CC(C)[C@@H](CN(C)Cc1ccccc1)NC(=O)N1CCC[C@@H](CNC(=O)c2ccccc2)C1 ZINC001312558987 1070013465 /nfs/dbraw/zinc/01/34/65/1070013465.db2.gz YIFHTBOKGDZLFN-UKILVPOCSA-N 0 3 450.627 3.995 20 0 JHADHN CCO[C@@H]1CCCN(c2nnc(C(C)(C)C)n2C[C@@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC001314268372 1070020608 /nfs/dbraw/zinc/02/06/08/1070020608.db2.gz NDHLWXBDPVWVHH-PKTZIBPZSA-N 0 3 455.647 3.872 20 0 JHADHN CSc1ccc([C@@H](CNC(=O)N[C@H](Cn2ccccc2=O)c2ccccc2)N(C)C)cc1 ZINC001312585097 1070029559 /nfs/dbraw/zinc/02/95/59/1070029559.db2.gz DNIFSZNDXHCMSM-DHIUTWEWSA-N 0 3 450.608 3.914 20 0 JHADHN CCN(C[C@H]1CCN(CC(=O)N2CCC[C@H]2c2ccc(OC)cc2OC)C1)CC(F)(F)F ZINC001307518242 1070031105 /nfs/dbraw/zinc/03/11/05/1070031105.db2.gz BKBKKVXWSCXRMA-XLIONFOSSA-N 0 3 457.537 3.573 20 0 JHADHN COC(=O)/C=C1\SCC(=O)N1CCCN(Cc1ccccc1Br)CC(C)C ZINC001307524314 1070032602 /nfs/dbraw/zinc/03/26/02/1070032602.db2.gz JUXUATZGDGXTGN-ODLFYWEKSA-N 0 3 455.418 3.887 20 0 JHADHN COc1ccc(NC(=O)C2(NCCC(=O)N3CCc4ccccc4C3)CCCC2)cc1OC ZINC001307551257 1070048237 /nfs/dbraw/zinc/04/82/37/1070048237.db2.gz YULKKRUPAFGXRF-UHFFFAOYSA-N 0 3 451.567 3.520 20 0 JHADHN Cc1ccccc1CN1CCCN(C(=O)CN2CCC(OCc3ccccc3F)CC2)CC1 ZINC001307587257 1070066235 /nfs/dbraw/zinc/06/62/35/1070066235.db2.gz WIEPDGYFNWCFIW-UHFFFAOYSA-N 0 3 453.602 3.850 20 0 JHADHN Cc1cc(CN(CC(C)C)C[C@@H](O)c2cc(Br)no2)nc(N2CCCCC2)n1 ZINC001307589396 1070068682 /nfs/dbraw/zinc/06/86/82/1070068682.db2.gz AWHZZOTUARLWBG-QGZVFWFLSA-N 0 3 452.397 3.717 20 0 JHADHN CC(C)n1cnnc1[C@H]1CCCN(C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C1 ZINC001307595332 1070071827 /nfs/dbraw/zinc/07/18/27/1070071827.db2.gz AYMBLXQDLHUOQW-FKBYEOEOSA-N 0 3 457.619 3.535 20 0 JHADHN CCN1CCN(c2ccc(NC(=O)CN[C@@H](c3ccc(OC)cc3)C(F)(F)F)cc2)CC1 ZINC001307602402 1070076651 /nfs/dbraw/zinc/07/66/51/1070076651.db2.gz SKFQMVCFGPPMRY-QFIPXVFZSA-N 0 3 450.505 3.669 20 0 JHADHN CC(C)Oc1ccc(CCNC(=O)CN2C[C@@H]3CCC[C@H](NC(=O)OC(C)(C)C)[C@@H]3C2)cc1 ZINC001307602015 1070076779 /nfs/dbraw/zinc/07/67/79/1070076779.db2.gz HEUQZZAUAQCHIU-WWNPGLIZSA-N 0 3 459.631 3.758 20 0 JHADHN CC[C@@H](NCCC(=O)N[C@H](c1cccs1)c1ccccc1)c1cccc(S(N)(=O)=O)c1 ZINC001307632746 1070092272 /nfs/dbraw/zinc/09/22/72/1070092272.db2.gz KYTYMRPAMFIIKN-OFNKIYASSA-N 0 3 457.621 3.732 20 0 JHADHN COc1ccc(NC(=O)CN[C@H](CC2CCCC2)c2ccccc2)cc1S(=O)(=O)N(C)C ZINC001307634898 1070092860 /nfs/dbraw/zinc/09/28/60/1070092860.db2.gz MFVYHQBTVJHENR-OAQYLSRUSA-N 0 3 459.612 3.795 20 0 JHADHN CN(C)C[C@@H](NC(=O)N[C@H]1CCc2nc(-c3ccc(F)cc3F)cn2C1)c1ccc(F)cc1 ZINC001312733770 1070097507 /nfs/dbraw/zinc/09/75/07/1070097507.db2.gz MTCKMQPVJAZVEZ-GHTZIAJQSA-N 0 3 457.500 3.884 20 0 JHADHN C[C@H](c1ccccc1F)N1CCC[C@@H](NC(=O)N[C@@]2(C)CCN(Cc3ccccc3)C2)C1=O ZINC001312750542 1070103294 /nfs/dbraw/zinc/10/32/94/1070103294.db2.gz XHLOONNNTLBKHH-RTGAMMJTSA-N 0 3 452.574 3.842 20 0 JHADHN CCOCc1nnc(N2C[C@H](C)N(CC)C[C@@H]2C)n1CCNc1ncc(Cl)cc1Cl ZINC001314321083 1070106546 /nfs/dbraw/zinc/10/65/46/1070106546.db2.gz HPYSRRLYEOOZHD-GJZGRUSLSA-N 0 3 456.422 3.547 20 0 JHADHN CCOC(=O)c1c(C)c(C(=O)Nc2ccccc2)sc1NC(=O)CN[C@H]1CCOC1(C)C ZINC001307776084 1070178625 /nfs/dbraw/zinc/17/86/25/1070178625.db2.gz ICEROAKOBCXGJT-INIZCTEOSA-N 0 3 459.568 3.581 20 0 JHADHN CCOCc1nnc(N2CCC[C@H](C(=O)Nc3ccc(C)cn3)C2)n1C[C@H](c1cccs1)N(C)C ZINC001314360112 1070183032 /nfs/dbraw/zinc/18/30/32/1070183032.db2.gz IGCFTPKMOCHPCV-VQTJNVASSA-N 0 3 497.669 3.738 20 0 JHADHN COc1ccc(Cl)cc1NC(=O)CCN(Cc1cncs1)C1CCN(C(C)=O)CC1 ZINC001307795328 1070185428 /nfs/dbraw/zinc/18/54/28/1070185428.db2.gz YHBYAQJEBSMFTN-UHFFFAOYSA-N 0 3 450.992 3.647 20 0 JHADHN C[C@H]1CN(C(=O)CN(Cc2ccncc2)[C@H]2CCCN(Cc3ccccc3)C2)CC(C)(C)O1 ZINC001307796730 1070186140 /nfs/dbraw/zinc/18/61/40/1070186140.db2.gz QCTPUTRZFTWXRN-DHLKQENFSA-N 0 3 450.627 3.574 20 0 JHADHN C[C@@H](N[C@@H](C)c1ccc(N2CCCCC2=O)cc1)C(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC001307808496 1070193366 /nfs/dbraw/zinc/19/33/66/1070193366.db2.gz LXGORYOSQVNQGO-VQTJNVASSA-N 0 3 452.574 3.731 20 0 JHADHN CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)N[C@H]1CCCc2c1ccc(=O)n2C ZINC001312946303 1070193563 /nfs/dbraw/zinc/19/35/63/1070193563.db2.gz FJABKESJVASGJJ-IBGZPJMESA-N 0 3 450.505 3.555 20 0 JHADHN CCO[C@@H]1CCC[C@H]1NCC(=O)Nc1sc(-c2ccccc2)c(C)c1C(=O)N1CCOCC1 ZINC001307835089 1070205896 /nfs/dbraw/zinc/20/58/96/1070205896.db2.gz SBXYFTXVHUACEY-WOJBJXKFSA-N 0 3 471.623 3.682 20 0 JHADHN O=C(CCN1CCCC[C@@H]1Cc1cccc(Br)c1)NC(=O)NCC(F)(F)F ZINC001307862657 1070215621 /nfs/dbraw/zinc/21/56/21/1070215621.db2.gz BWQIFLALSUZYPC-OAHLLOKOSA-N 0 3 450.299 3.624 20 0 JHADHN CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]([C@@H]2CCCCN2C[C@H]2CN(c3ccccc3)C(=O)O2)C1 ZINC001307885047 1070225151 /nfs/dbraw/zinc/22/51/51/1070225151.db2.gz FPKAXGSZZQCJFU-GBAJDQEWSA-N 0 3 459.587 3.939 20 0 JHADHN CCOCc1nnc(N2CCN([C@@H](C)c3nccs3)CC2)n1C[C@H](c1ccc(F)cc1)N(C)C ZINC001314391249 1070245990 /nfs/dbraw/zinc/24/59/90/1070245990.db2.gz WDPBTPWJGHZHAN-GHTZIAJQSA-N 0 3 487.649 3.596 20 0 JHADHN O=C(N1CCC[C@H](C2CCN([C@@H]3CCCN(Cc4ccccc4)C3=O)CC2)C1)C(F)(F)F ZINC001307939983 1070251054 /nfs/dbraw/zinc/25/10/54/1070251054.db2.gz BTZDGLBDUUEEQO-LEWJYISDSA-N 0 3 451.533 3.691 20 0 JHADHN 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CC(=O)c1cc(S(=O)(=O)NC[C@@H]2CCCN2CC2CCCCC2)ccc1Br ZINC001309156203 1070573390 /nfs/dbraw/zinc/57/33/90/1070573390.db2.gz IJMMFSGDIOIJMS-KRWDZBQOSA-N 0 3 457.434 3.975 20 0 JHADHN CC[S@@](=O)CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@H](N2CCCC2)C1 ZINC001314580101 1070591310 /nfs/dbraw/zinc/59/13/10/1070591310.db2.gz QZIBKRRPLIIBHU-XSJBNIOMSA-N 0 3 487.714 3.988 20 0 JHADHN C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1NS(=O)(=O)Cc1cccc(F)c1Br ZINC001309247766 1070643160 /nfs/dbraw/zinc/64/31/60/1070643160.db2.gz BSSUKTUDECFAIK-BEFAXECRSA-N 0 3 455.393 3.918 20 0 JHADHN CCS[C@H]1CCCCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H]2CCN(CC)C2)C1 ZINC001314602530 1070656470 /nfs/dbraw/zinc/65/64/70/1070656470.db2.gz ZZIYTIRUVZFLML-CTNGQTDRSA-N 0 3 491.727 3.802 20 0 JHADHN CCN(C)C(=O)Cn1c(-c2ccc(Cl)cc2Cl)nnc1N1CCN(C(C)(C)C)CC1 ZINC001313549687 1070665524 /nfs/dbraw/zinc/66/55/24/1070665524.db2.gz FLSVBDKBMWJWLC-UHFFFAOYSA-N 0 3 453.418 3.651 20 0 JHADHN CN1CC[C@H]2[C@H](CCCN2S(=O)(=O)c2csc(-c3cccc(Br)c3)n2)C1 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1070750526 /nfs/dbraw/zinc/75/05/26/1070750526.db2.gz BVLXNYGYRUYQFN-PZJWPPBQSA-N 0 3 483.592 3.819 20 0 JHADHN CN(C)[C@H](Cn1c(C2CC2)nnc1N1CCC[C@@H](NC(=O)OC(C)(C)C)C1)c1ccccc1 ZINC001314647626 1070750782 /nfs/dbraw/zinc/75/07/82/1070750782.db2.gz BCUYALOIWWDDJK-NHCUHLMSSA-N 0 3 454.619 3.952 20 0 JHADHN CN(C)[C@H](Cn1c(-c2ccccn2)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1)c1cccc(F)c1 ZINC001314648722 1070752961 /nfs/dbraw/zinc/75/29/61/1070752961.db2.gz ODSVITPSGNYRGS-FYYLOGMGSA-N 0 3 493.631 3.913 20 0 JHADHN CN(C)[C@@H](Cn1c(-c2ccccn2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1)c1cccc(F)c1 ZINC001314648724 1070753044 /nfs/dbraw/zinc/75/30/44/1070753044.db2.gz ODSVITPSGNYRGS-GMAHTHKFSA-N 0 3 493.631 3.913 20 0 JHADHN CN(C)[C@H](Cn1c(-c2cccn2C)nnc1N1CCC[C@@H](NC(=O)C(C)(C)C)C1)c1cccc(F)c1 ZINC001314649316 1070754981 /nfs/dbraw/zinc/75/49/81/1070754981.db2.gz URAGADCQVKUXNP-FYYLOGMGSA-N 0 3 495.647 3.857 20 0 JHADHN CN(C)[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1)c1cccs1 ZINC001314650651 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CCc1noc(C)c1Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(C2CCC(C)CC2)CC1 ZINC001306233630 1068624827 /nfs/dbraw/zinc/62/48/27/1068624827.db2.gz NUKYNMUVPAYJBG-UHFFFAOYSA-N 0 3 485.677 3.804 20 0 JHADHN CC[C@H]1C[C@@H](C)CN1c1nnc(Cc2ccccc2OC)n1CCN1CCN(C)C(C)(C)C1 ZINC001306299026 1068715810 /nfs/dbraw/zinc/71/58/10/1068715810.db2.gz HLUXYLPOCUJKGF-IRLDBZIGSA-N 0 3 454.663 3.528 20 0 JHADHN CC[C@@H]1C[C@H](C)CN1c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1CCCN1CCN(CC)CC1 ZINC001306303734 1068720555 /nfs/dbraw/zinc/72/05/55/1068720555.db2.gz ZQHDVGAVTQUUJE-WBADGQHESA-N 0 3 460.711 3.849 20 0 JHADHN CC[C@H]1CCCCN1CCn1c(-c2ccc(Cl)cc2)nnc1N(CCS(C)(=O)=O)C1CC1 ZINC001306321089 1068750919 /nfs/dbraw/zinc/75/09/19/1068750919.db2.gz YVTIXTJWIBDMBY-FQEVSTJZSA-N 0 3 480.078 3.876 20 0 JHADHN CC[C@H]1CCCN(c2nnc(Cc3c(F)cccc3F)n2CCN2CCN(C)C(C)(C)C2)C1 ZINC001306335332 1068772314 /nfs/dbraw/zinc/77/23/14/1068772314.db2.gz KGDXDGXIXDDMCL-IBGZPJMESA-N 0 3 460.617 3.800 20 0 JHADHN CC[C@@H]1CCCN1c1nnc(COc2ccc(C)cc2)n1C[C@H](C)CN1CCN(CC)CC1 ZINC001306357517 1068792115 /nfs/dbraw/zinc/79/21/15/1068792115.db2.gz RHKWEZIYMBOPAO-DHIUTWEWSA-N 0 3 454.663 3.818 20 0 JHADHN CC[C@H]1CCCN1c1nnc(COc2ccc(C)cc2)n1C[C@H](C)CN1CCN(CC)CC1 ZINC001306357521 1068792389 /nfs/dbraw/zinc/79/23/89/1068792389.db2.gz RHKWEZIYMBOPAO-PKTZIBPZSA-N 0 3 454.663 3.818 20 0 JHADHN CCC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@H](C)N2CCN(CC)CC2)CC1 ZINC001306382902 1068814958 /nfs/dbraw/zinc/81/49/58/1068814958.db2.gz DDUIWEPOQQWWJJ-MDNUFGMLSA-N 0 3 460.711 3.849 20 0 JHADHN CC[C@H]1CN(c2nnc(C(C)C)n2C[C@H](c2ccccc2Cl)N(C)C)CCN1CCOC ZINC001306388428 1068824575 /nfs/dbraw/zinc/82/45/75/1068824575.db2.gz WGOSBDKJPLFQHT-SIKLNZKXSA-N 0 3 463.070 3.905 20 0 JHADHN CC[C@@H]1CN(c2nnc(Cc3ccccn3)n2C[C@H](c2ccco2)N(CC)CC)C[C@H](C)O1 ZINC001306442399 1068951466 /nfs/dbraw/zinc/95/14/66/1068951466.db2.gz VBEMGXYQCONQGE-KSEOMHKRSA-N 0 3 452.603 3.944 20 0 JHADHN CC[C@H]1CN(c2nnc(CSc3ccc(C)cc3)n2C[C@H](C)N2CCN(CC)CC2)CCO1 ZINC001306458615 1068990629 /nfs/dbraw/zinc/99/06/29/1068990629.db2.gz ZBABDVZTRWCEDL-VXKWHMMOSA-N 0 3 472.703 3.520 20 0 JHADHN CC[C@@H]1CN(c2nnc([C@H]3CCCO3)n2CCN2CCCCC2)CC[C@H]1NC(=O)OC(C)(C)C ZINC001306461886 1068997305 /nfs/dbraw/zinc/99/73/05/1068997305.db2.gz GKVOWOGQDFAMAJ-NJDAHSKKSA-N 0 3 476.666 3.745 20 0 JHADHN CC[C@H]1CN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@H](c2ccccc2)N(C)C)CCO1 ZINC001306464569 1069001148 /nfs/dbraw/zinc/00/11/48/1069001148.db2.gz LZWMETWAHYTYEM-BJESRGMDSA-N 0 3 498.672 3.967 20 0 JHADHN CC/C=C\Cn1c(-c2ccc(Cl)cc2)nnc1N1C[C@H](N2CCCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001306464968 1069001739 /nfs/dbraw/zinc/00/17/39/1069001739.db2.gz NUUSRLILQIHGKJ-KLCWCRIBSA-N 0 3 471.049 3.944 20 0 JHADHN CCc1c(NC(=O)N[C@@H](C)CCN2CCN(C)CC2)cnn1-c1ccc(C(F)(F)F)cc1 ZINC001310554412 1069014326 /nfs/dbraw/zinc/01/43/26/1069014326.db2.gz IAFMUQVLTAWNGG-INIZCTEOSA-N 0 3 452.525 3.601 20 0 JHADHN CC/C=C\Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(CCOC)[C@@H](CCC)C1 ZINC001306471241 1069014764 /nfs/dbraw/zinc/01/47/64/1069014764.db2.gz SMZGCYQGSDTHMB-NGXITPROSA-N 0 3 455.603 3.620 20 0 JHADHN CN1CCN(Cc2cccc(CNC(=O)Nc3c(F)cc(F)cc3Br)c2)CC1 ZINC001310568547 1069022486 /nfs/dbraw/zinc/02/24/86/1069022486.db2.gz SJIWBYCTSFXOEM-UHFFFAOYSA-N 0 3 453.331 3.796 20 0 JHADHN CCCC(=O)N[C@@H]1CCCN(c2nnc(C(C)(C)C)n2C[C@@H](c2cccc(F)c2)N(C)C)C1 ZINC001306497652 1069047586 /nfs/dbraw/zinc/04/75/86/1069047586.db2.gz XSHCYGIEOFEVNP-RTWAWAEBSA-N 0 3 458.626 3.903 20 0 JHADHN CCCC(=O)N[C@H]1CCCN(c2nnc(-c3cccc(C)n3)n2C[C@@H](c2ccc(F)cc2)N(C)C)C1 ZINC001306501641 1069066378 /nfs/dbraw/zinc/06/63/78/1069066378.db2.gz GSYQBFGIVHVGNB-UPVQGACJSA-N 0 3 493.631 3.976 20 0 JHADHN COC(=O)c1ccc(NC(=O)NCCCCN2CCN(c3cccc(C)c3)CC2)cc1OC ZINC001310666084 1069096810 /nfs/dbraw/zinc/09/68/10/1069096810.db2.gz DGPAMNWOQNINCW-UHFFFAOYSA-N 0 3 454.571 3.514 20 0 JHADHN CCNC(=O)Nc1ccc(C)c(NC(=O)NCc2ccccc2CN2CCN(CC)CC2)c1 ZINC001310670931 1069100293 /nfs/dbraw/zinc/10/02/93/1069100293.db2.gz WEKMHBXFLDVQPH-UHFFFAOYSA-N 0 3 452.603 3.596 20 0 JHADHN CCCC(=O)NC[C@@H]1CCCN(c2nnc(C(C)C)n2C[C@@H](c2cccc(F)c2)N(C)C)C1 ZINC001306515449 1069118077 /nfs/dbraw/zinc/11/80/77/1069118077.db2.gz QRJRSJUWAMLJDL-UGKGYDQZSA-N 0 3 458.626 3.976 20 0 JHADHN CCC[C@](C)(O)Cn1c(-c2ccc(Cl)cc2)nnc1N(C)C1CCN(CCn2cccn2)CC1 ZINC001306530644 1069169766 /nfs/dbraw/zinc/16/97/66/1069169766.db2.gz RJQUBYCKSZEYSG-VWLOTQADSA-N 0 3 486.064 3.947 20 0 JHADHN CCC[C@](C)(O)Cn1c(-c2ccc(CC)cc2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC001306531906 1069172938 /nfs/dbraw/zinc/17/29/38/1069172938.db2.gz WSHDZDNTPYNHKB-IGKIAQTJSA-N 0 3 468.690 3.663 20 0 JHADHN CCC[C@@](C)(O)Cn1c(-c2ccccc2Cl)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC001306533954 1069176844 /nfs/dbraw/zinc/17/68/44/1069176844.db2.gz XJNRDBJCPZEUSW-NBGIEHNGSA-N 0 3 475.081 3.754 20 0 JHADHN O=C(Nc1ccc(Cl)cc1OCC(F)F)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC001310824124 1069179234 /nfs/dbraw/zinc/17/92/34/1069179234.db2.gz SPOZJDWCZIYWDG-SJLPKXTDSA-N 0 3 453.917 3.988 20 0 JHADHN C[C@H]1CN(Cc2ccccc2)CCN(C(=O)N[C@@H](CNC(=O)OC(C)(C)C)C(F)(F)F)C1 ZINC001310938170 1069228205 /nfs/dbraw/zinc/22/82/05/1069228205.db2.gz PODZPRHVGJEWOT-WMZOPIPTSA-N 0 3 458.525 3.606 20 0 JHADHN Cc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(C(=O)Nc2ccn(-c3cc[nH+]cc3)n2)c1 ZINC001306586027 1069252921 /nfs/dbraw/zinc/25/29/21/1069252921.db2.gz UKXFKODYZFODFU-UHFFFAOYSA-N 0 3 451.483 3.768 20 0 JHADHN COc1cccc(OC(F)(F)F)c1NC(=O)NCc1cccc(CN2CCN(C)CC2)c1 ZINC001311116857 1069277702 /nfs/dbraw/zinc/27/77/02/1069277702.db2.gz PASLEIXYTNRQHD-UHFFFAOYSA-N 0 3 452.477 3.663 20 0 JHADHN CCC[C@@H]1CN(c2nnc(C(C)(C)C)n2Cc2cn3ccc(C)cc3n2)CCN1CCOC ZINC001306616651 1069298259 /nfs/dbraw/zinc/29/82/59/1069298259.db2.gz HJNJROSSRSEIMU-OAQYLSRUSA-N 0 3 453.635 3.517 20 0 JHADHN CCC[C@H]1CN(c2nnc(-c3cc(F)ccc3Br)n2C[C@@H](C)OC)CCN1CCOC ZINC001306616563 1069298292 /nfs/dbraw/zinc/29/82/92/1069298292.db2.gz IDKZXJMOKWEKMR-AEFFLSMTSA-N 0 3 498.441 3.819 20 0 JHADHN CCC[C@@H]1CN(c2nnc(-c3cccc(Cl)c3)n2CCNC(=O)C(C)(C)C)CCN1CCOC ZINC001306616910 1069298973 /nfs/dbraw/zinc/29/89/73/1069298973.db2.gz KDXDOHKELUDTBX-OAQYLSRUSA-N 0 3 491.080 3.698 20 0 JHADHN CN1CCN(CCNC(=O)Nc2ccc(Oc3ccc(Cl)nn3)c(Cl)c2)CC1(C)C ZINC001311214017 1069299688 /nfs/dbraw/zinc/29/96/88/1069299688.db2.gz RBZZUGBOLFHEKB-UHFFFAOYSA-N 0 3 453.374 3.723 20 0 JHADHN CCC[C@H]1CN(c2nnc(C(C)(C)C)n2CCCN(C)C(=O)OC(C)(C)C)CCN1CCOC ZINC001306620044 1069305343 /nfs/dbraw/zinc/30/53/43/1069305343.db2.gz WUKMBTBVGNFQIO-FQEVSTJZSA-N 0 3 480.698 3.770 20 0 JHADHN CCC[C@H]1CN(c2nnc(-c3cccnc3)n2C[C@@](C)(O)c2ccccc2Cl)CCN1CCOC ZINC001306620417 1069307067 /nfs/dbraw/zinc/30/70/67/1069307067.db2.gz GMTYMGSUIDSKMF-HFZDXXHNSA-N 0 3 499.059 3.838 20 0 JHADHN CCOC(=O)c1cnc(C(F)(F)N2CCC[C@@H]3CN(Cc4ccccc4)C[C@H]32)nc1Cl ZINC001164618233 719056051 /nfs/dbraw/zinc/05/60/51/719056051.db2.gz AFNDANMGQHQQGT-SJLPKXTDSA-N 0 3 450.917 3.952 20 0 JHADHN Cc1nc(CN2CCN(C)C3(CCN(c4nc(N5CCCC5)cc5ccccc54)CC3)C2=O)cs1 ZINC001164821169 720381103 /nfs/dbraw/zinc/38/11/03/720381103.db2.gz YVPDHTHVUKIJQL-UHFFFAOYSA-N 0 3 490.677 3.913 20 0 JHADHN c1ccc(-c2cc(-c3ccccc3)nc(N3CCN4C[C@H](Oc5cncnc5)C[C@H]4C3)n2)cc1 ZINC001164738968 720662652 /nfs/dbraw/zinc/66/26/52/720662652.db2.gz LQRJLFGFLWYPFB-XZOQPEGZSA-N 0 3 450.546 3.943 20 0 JHADHN Cc1nc2scc(-c3cccs3)c2c(N2CCN3C[C@@H](Oc4cncnc4)C[C@H]3C2)n1 ZINC001164741151 720764148 /nfs/dbraw/zinc/76/41/48/720764148.db2.gz MKMQIAQQZWRDRM-HOTGVXAUSA-N 0 3 450.593 3.860 20 0 JHADHN CC(C)CN1[C@H]2CCN(c3ncccc3CN3CCCC3)CC[C@@H]2Oc2ccccc2S1(=O)=O ZINC001164756396 720972215 /nfs/dbraw/zinc/97/22/15/720972215.db2.gz HUIWCSCGGAMVHY-GOTSBHOMSA-N 0 3 484.666 3.754 20 0 JHADHN Cc1sc2nc(CN3CCCC3)nc(N3CC[C@]4(C3)CCC[C@@H](CN3CCN(C)CC3)O4)c2c1C ZINC001164891351 721435165 /nfs/dbraw/zinc/43/51/65/721435165.db2.gz GKHHXCBEVUFYQG-CUNXSJBXSA-N 0 3 498.741 3.669 20 0 JHADHN COC(=O)/C=C/c1ccc(NC(=O)C(C)(C)C)c(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)n1 ZINC001164905197 721547096 /nfs/dbraw/zinc/54/70/96/721547096.db2.gz GKSPFKHATMTHGZ-OVRYWKHZSA-N 0 3 496.583 3.733 20 0 JHADHN COC(=O)/C=C\c1cc2cc[nH]c2c(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)n1 ZINC001164907654 721716754 /nfs/dbraw/zinc/71/67/54/721716754.db2.gz SHTXQITYMALAID-VRWDYKOXSA-N 0 3 467.520 3.882 20 0 JHADHN FC(F)(Cc1nc(Cl)cc(Cl)n1)N1CCC2(CC1)COCCN(Cc1ccncc1)C2 ZINC001164959983 722058896 /nfs/dbraw/zinc/05/88/96/722058896.db2.gz BMORFRXEYDQDTD-UHFFFAOYSA-N 0 3 472.367 3.928 20 0 JHADHN FC(F)(c1nc2ccc(Cl)nc2[nH]1)N1CCC2(CC1)COCCN(Cc1ccncc1)C2 ZINC001164963401 722060435 /nfs/dbraw/zinc/06/04/35/722060435.db2.gz YKJOXINVPRDPPI-UHFFFAOYSA-N 0 3 462.932 3.670 20 0 JHADHN FC(F)(c1nc(-c2ccc(Cl)nc2)no1)N1CCC2(CC1)COCCN(Cc1ccncc1)C2 ZINC001164962607 722061402 /nfs/dbraw/zinc/06/14/02/722061402.db2.gz UVZFFPKFTKECNJ-UHFFFAOYSA-N 0 3 490.942 3.844 20 0 JHADHN Fc1cccc(Cn2ccc3c2ncnc3N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)c1 ZINC001164973974 722123424 /nfs/dbraw/zinc/12/34/24/722123424.db2.gz IGSBVGAQEDPANM-DHLKQENFSA-N 0 3 472.568 3.741 20 0 JHADHN COC(=O)c1ccc(-c2ccc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)nc2C)cc1 ZINC001164983838 722137016 /nfs/dbraw/zinc/13/70/16/722137016.db2.gz VNWZQXIDDQGTCV-RSXGOPAZSA-N 0 3 472.589 3.966 20 0 JHADHN FC(F)(c1cc(Cl)nc(-c2cccnc2)n1)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164983337 722138198 /nfs/dbraw/zinc/13/81/98/722138198.db2.gz UGTQMLJOAMAVCW-VQTJNVASSA-N 0 3 486.954 3.859 20 0 JHADHN c1cc2c(nc(-c3ccccn3)nc2N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)s1 ZINC001164976056 722151890 /nfs/dbraw/zinc/15/18/90/722151890.db2.gz GVSHKURHXHPTBY-UGKGYDQZSA-N 0 3 458.591 3.876 20 0 JHADHN Clc1nnc(Cl)c(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)c1N1CCCCC1 ZINC001164973081 722158876 /nfs/dbraw/zinc/15/88/76/722158876.db2.gz LAPNKMVMJWCPSO-MOPGFXCFSA-N 0 3 477.440 3.896 20 0 JHADHN CCC[C@H]1CN(c2nnc(-c3cccc(C)n3)n2Cc2cc(F)cc(OC)c2)CCN1CCOC ZINC001306622962 1069313276 /nfs/dbraw/zinc/31/32/76/1069313276.db2.gz GTFJRNNHJRQZND-QFIPXVFZSA-N 0 3 482.604 3.782 20 0 JHADHN CCC[C@H]1CN(c2nnc(CC(C)(C)C)n2Cc2ccc(OC)c(F)c2)CCN1CCOC ZINC001306628550 1069326996 /nfs/dbraw/zinc/32/69/96/1069326996.db2.gz GOTNMQQUSFYKIS-FQEVSTJZSA-N 0 3 461.626 4.000 20 0 JHADHN CCC[C@H]1CN(c2nnc(Cc3csc(C)n3)n2C[C@@H](c2cccc(OC)c2)N(C)C)CCO1 ZINC001306629341 1069328326 /nfs/dbraw/zinc/32/83/26/1069328326.db2.gz PFIHSSMQRFCYJW-GOTSBHOMSA-N 0 3 484.670 3.951 20 0 JHADHN CCC[C@H]1CN(c2nnc(CC3CC3)n2Cc2ccccc2Br)CCN1CCOC ZINC001306630342 1069329976 /nfs/dbraw/zinc/32/99/76/1069329976.db2.gz UXRJZWHFNCDIKR-FQEVSTJZSA-N 0 3 476.463 3.979 20 0 JHADHN CCN(C(=O)NC[C@@H](c1ccc(F)cc1)N1CCOCC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001311366321 1069347018 /nfs/dbraw/zinc/34/70/18/1069347018.db2.gz BDVCMBVRTZJAAM-RPBOFIJWSA-N 0 3 454.590 3.505 20 0 JHADHN Cc1cccc([C@H](CNC(=O)N[C@H](CN(C)Cc2ccccc2)C(C)C)N2CCOCC2)c1 ZINC001311389776 1069357728 /nfs/dbraw/zinc/35/77/28/1069357728.db2.gz AKLKFWATCHHOIK-FTJBHMTQSA-N 0 3 452.643 3.824 20 0 JHADHN CCC[C@H]1CN(c2nnc(-c3ccccc3Br)n2CC2(O)CCC2)CCN1CCOC ZINC001306649425 1069360188 /nfs/dbraw/zinc/36/01/88/1069360188.db2.gz SRXYZMDFQGNXHK-SFHVURJKSA-N 0 3 492.462 3.560 20 0 JHADHN CC[C@H](CNC(=O)N1C[C@H]2CCC[C@@]2(NC(=O)OC(C)(C)C)C1)N1CCc2ccccc2C1 ZINC001311397639 1069361798 /nfs/dbraw/zinc/36/17/98/1069361798.db2.gz VLTCMGSFBUZTSI-XLGIIRLISA-N 0 3 456.631 3.912 20 0 JHADHN CCN(CCCNC(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1)C(=O)OC(C)(C)C ZINC001311456146 1069387131 /nfs/dbraw/zinc/38/71/31/1069387131.db2.gz SLSWIGYRXIEZSP-UHFFFAOYSA-N 0 3 450.546 3.738 20 0 JHADHN CCN(CC)[C@H](CNC(=O)N(C)[C@@H]1CCN(Cc2ccccc2)C1=O)c1cccc(OC)c1 ZINC001311468977 1069392445 /nfs/dbraw/zinc/39/24/45/1069392445.db2.gz GGRWLNZURNCENP-DNQXCXABSA-N 0 3 452.599 3.521 20 0 JHADHN CCCCN(C)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H]1C1CCC1 ZINC001306683215 1069415865 /nfs/dbraw/zinc/41/58/65/1069415865.db2.gz VOSIHZSHAYYTBZ-QFIPXVFZSA-N 0 3 459.660 3.849 20 0 JHADHN CCC(CC)[C@H](CNC(=O)NC[C@H](c1cccs1)N1CCC(C)CC1)N1CCOCC1 ZINC001311536530 1069428929 /nfs/dbraw/zinc/42/89/29/1069428929.db2.gz WWLCEBCNGYCVLT-FCHUYYIVSA-N 0 3 450.693 3.957 20 0 JHADHN CCC(CC)[C@@H](CNC(=O)NC[C@H](c1cccs1)N1CCC(C)CC1)N1CCOCC1 ZINC001311536531 1069429049 /nfs/dbraw/zinc/42/90/49/1069429049.db2.gz WWLCEBCNGYCVLT-FGZHOGPDSA-N 0 3 450.693 3.957 20 0 JHADHN CCCCn1c([C@@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001306701568 1069436708 /nfs/dbraw/zinc/43/67/08/1069436708.db2.gz SIVQEBMUJUTLIG-NQIIRXRSSA-N 0 3 475.037 3.614 20 0 JHADHN CC(C)(C)OC(=O)N[C@@H]1CCCN(C(=O)[C@]2(C(F)(F)F)CCN(Cc3ccccc3)C2)C1 ZINC000751095220 1069443137 /nfs/dbraw/zinc/44/31/37/1069443137.db2.gz JUIUCXGHCFEKQQ-GCJKJVERSA-N 0 3 455.521 3.957 20 0 JHADHN COc1cccc([C@H](CNC(=O)N[C@@H]2C[C@H](OC(C)(C)C)[C@@H]2n2cccn2)N2CCCC2)c1 ZINC001311581446 1069448737 /nfs/dbraw/zinc/44/87/37/1069448737.db2.gz QOVDJZZTIKDPRM-WZYRSQIMSA-N 0 3 455.603 3.525 20 0 JHADHN O=C(NCC1(N2CCSCC2)CCCC1)N1CCOc2c(Br)cccc2C1 ZINC001311584951 1069451095 /nfs/dbraw/zinc/45/10/95/1069451095.db2.gz VPKJOFUDJPAUNR-UHFFFAOYSA-N 0 3 454.434 3.715 20 0 JHADHN CCCCn1cc(Cn2c(N3CCN(C4CCOCC4)C[C@@H]3C)nnc2C(C)(C)C)c(C)n1 ZINC001306721380 1069457373 /nfs/dbraw/zinc/45/73/73/1069457373.db2.gz XZNDCSLWRCSZIY-IBGZPJMESA-N 0 3 457.667 3.618 20 0 JHADHN CCCN(C(=O)NCCCCN1CCN(Cc2ccccc2)CC1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC001311630853 1069478819 /nfs/dbraw/zinc/47/88/19/1069478819.db2.gz UUMAGQYCDMQFEK-UBFVSLLYSA-N 0 3 456.675 3.820 20 0 JHADHN CC(C)n1ncc2c1[C@H](NC(=O)NCCCCN1CCN(Cc3ccccc3)CC1)CCC2 ZINC001311630326 1069478911 /nfs/dbraw/zinc/47/89/11/1069478911.db2.gz OBIYLERQYIEDBE-XMMPIXPASA-N 0 3 452.647 3.739 20 0 JHADHN C[C@@H]1CN(C(=O)NCCCCN2CCN(c3ccccc3)CC2)CC[C@H]1C(=O)OC(C)(C)C ZINC001311632640 1069479852 /nfs/dbraw/zinc/47/98/52/1069479852.db2.gz JZYDIMVEMMZILR-FYYLOGMGSA-N 0 3 458.647 3.598 20 0 JHADHN CN(CCNC(=O)NC1CCN(Cc2cccc(Br)c2)CC1)Cc1ccccc1 ZINC001311685793 1069502929 /nfs/dbraw/zinc/50/29/29/1069502929.db2.gz NZUJOKSYAFRCTH-UHFFFAOYSA-N 0 3 459.432 3.845 20 0 JHADHN CCCCNC(=O)[C@@H]1CCCN(c2nnc(-c3ccccn3)n2C[C@H](c2cccc(F)c2)N(C)C)C1 ZINC001306740879 1069514597 /nfs/dbraw/zinc/51/45/97/1069514597.db2.gz WLCOPPWJKJWDGO-ZJSXRUAMSA-N 0 3 493.631 3.915 20 0 JHADHN CCN(C(=O)N[C@@H](CCSC)c1nnc2ccccn21)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001311716057 1069516763 /nfs/dbraw/zinc/51/67/63/1069516763.db2.gz WKJWZDCVRZZWIT-RTWAWAEBSA-N 0 3 452.628 3.830 20 0 JHADHN CCCCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2C[C@@H](c2cccs2)N(C)C)CC1 ZINC001306746249 1069530796 /nfs/dbraw/zinc/53/07/96/1069530796.db2.gz ZXUOGIHPPLZEPG-NRFANRHFSA-N 0 3 481.670 3.837 20 0 JHADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1CCC(Sc2ccc(Cl)cc2)CC1 ZINC001311805426 1069553347 /nfs/dbraw/zinc/55/33/47/1069553347.db2.gz PSLSACMLWNIBAV-FQEVSTJZSA-N 0 3 453.052 3.549 20 0 JHADHN CCCN(C)c1nnc(C(=O)NCc2ccc(Cl)cc2)n1CC(C)(C)N1CCC(OC)CC1 ZINC001306768203 1069568621 /nfs/dbraw/zinc/56/86/21/1069568621.db2.gz SCSPISLJODZPEG-UHFFFAOYSA-N 0 3 477.053 3.597 20 0 JHADHN CCC[C@@H](NC(=O)N[C@]1(C)CCN(Cc2ccccc2)C1)C(=O)N1CCc2sccc2C1 ZINC001311856520 1069582430 /nfs/dbraw/zinc/58/24/30/1069582430.db2.gz YINSDNHSSXYJLM-PXDATVDWSA-N 0 3 454.640 3.765 20 0 JHADHN CCOC1(Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CCN(C(C)(C)C)CC2)CCCC1 ZINC001314149592 1069608639 /nfs/dbraw/zinc/60/86/39/1069608639.db2.gz UGEUQTHWXINKLX-UHFFFAOYSA-N 0 3 489.686 3.618 20 0 JHADHN CCCN(CC)CCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 ZINC001306802151 1069607960 /nfs/dbraw/zinc/60/79/60/1069607960.db2.gz GMOLXPRMIHBLEC-UYAOXDASSA-N 0 3 493.743 3.877 20 0 JHADHN CCN(C(=O)OC(C)(C)C)[C@H](C)CNC(=O)NCC1(N2CCOC(C)(C)C2)CCCCC1 ZINC001311932674 1069619361 /nfs/dbraw/zinc/61/93/61/1069619361.db2.gz JGQXRQODPZHBJL-LJQANCHMSA-N 0 3 454.656 3.745 20 0 JHADHN CC(C)(C)[C@H](COc1ccccc1F)NC(=O)NCC1(O)CCN(Cc2ccccc2)CC1 ZINC001311938142 1069621971 /nfs/dbraw/zinc/62/19/71/1069621971.db2.gz GRUVDFBJVHYVDG-QHCPKHFHSA-N 0 3 457.590 3.946 20 0 JHADHN CCOc1cc(C)ccc1Cn1c(C(=O)Nc2ccccn2)nnc1N1C[C@H](C)N(CC)C[C@H]1C ZINC001314156445 1069627840 /nfs/dbraw/zinc/62/78/40/1069627840.db2.gz GRIRVMNTYBNBOM-VQTJNVASSA-N 0 3 477.613 3.600 20 0 JHADHN CCOc1cc(Cn2c([C@@H](C)CC)nnc2N2CCN(C3CCOCC3)C[C@@H]2C)ccc1OC ZINC001314160921 1069645999 /nfs/dbraw/zinc/64/59/99/1069645999.db2.gz RBMNFLUOIABDIS-PMACEKPBSA-N 0 3 471.646 3.937 20 0 JHADHN CCOc1ccc(-c2nnc(N3C[C@H](C)N(CC)C[C@@H]3C)n2C[C@@H]2CC=CCO2)cc1OC ZINC001314167355 1069668998 /nfs/dbraw/zinc/66/89/98/1069668998.db2.gz FVODCGOOYRHPLC-ZJOUEHCJSA-N 0 3 455.603 3.616 20 0 JHADHN C[C@H](SCc1nc2ccccc2c(=O)[nH]1)C(=O)Nc1ccc(NC2=NCCN2)c(Cl)c1 ZINC001306875977 1069670366 /nfs/dbraw/zinc/67/03/66/1069670366.db2.gz YNJRRLPPXJCETD-LBPRGKRZSA-N 0 3 456.959 3.620 20 0 JHADHN O=C(NC[C@H]1CCCN1Cc1ccccc1)N1CCN(C(=O)c2ccc(F)cc2Cl)CC1 ZINC001312023434 1069676420 /nfs/dbraw/zinc/67/64/20/1069676420.db2.gz FXYKJHCTGQCUTN-HXUWFJFHSA-N 0 3 458.965 3.611 20 0 JHADHN CCOc1ccc(-c2nnc(N3C[C@H](C)N(CC)C[C@H]3C)n2Cc2nnc(CC)s2)cc1OC ZINC001314170077 1069678628 /nfs/dbraw/zinc/67/86/28/1069678628.db2.gz YCODBQBOBMUKBZ-DLBZAZTESA-N 0 3 485.658 3.734 20 0 JHADHN CCOc1ccc([C@H]2CCCN2c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCN(CC)C(C)C)cc1 ZINC001314179983 1069721506 /nfs/dbraw/zinc/72/15/06/1069721506.db2.gz ASJKTRFIDMOOGU-FYYLOGMGSA-N 0 3 489.686 3.651 20 0 JHADHN Cc1ccc([C@@H]2OCCC[C@@H]2CNC(=O)NCC2(O)CCN(Cc3ccccc3)CC2)cc1 ZINC001312107586 1069723905 /nfs/dbraw/zinc/72/39/05/1069723905.db2.gz QOZBHTHOIAPHTK-RPBOFIJWSA-N 0 3 451.611 3.789 20 0 JHADHN CCOc1ccc(Cn2c(C(=O)NC(CC)CC)nnc2N2C[C@H](C)N(CC)C[C@H]2C)cc1 ZINC001314185096 1069737300 /nfs/dbraw/zinc/73/73/00/1069737300.db2.gz DJQRDPDVURHBNI-RBUKOAKNSA-N 0 3 456.635 3.562 20 0 JHADHN CCOc1ccc(Cn2c(CC(C)(C)C)nnc2N2CCN(CC3CCOCC3)CC2)cc1 ZINC001314190306 1069749365 /nfs/dbraw/zinc/74/93/65/1069749365.db2.gz QROASLUUTVBILJ-UHFFFAOYSA-N 0 3 455.647 3.862 20 0 JHADHN C[C@H]1C[C@@H](NC(=O)N2CCC(C(=O)NCc3ccc(F)cc3)CC2)CN1Cc1ccccc1 ZINC001312249720 1069808229 /nfs/dbraw/zinc/80/82/29/1069808229.db2.gz ABSNFYAZQNVSGL-YADARESESA-N 0 3 452.574 3.527 20 0 JHADHN CCCN1CCCC[C@H]1Cn1c([C@H]2CCCOC2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 ZINC001307058991 1069842677 /nfs/dbraw/zinc/84/26/77/1069842677.db2.gz RRHBKFXPJASJCZ-OALUTQOASA-N 0 3 471.568 3.784 20 0 JHADHN O=C(NCCOc1ncccc1F)N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC001312329771 1069867771 /nfs/dbraw/zinc/86/77/71/1069867771.db2.gz BXCAYWVKWZOSLS-JTHBVZDNSA-N 0 3 452.505 3.706 20 0 JHADHN CN(C)c1nccc(CNC(=O)N(CCN2CCCC2)Cc2ccc(Cl)c(Cl)c2)n1 ZINC001312371971 1069893509 /nfs/dbraw/zinc/89/35/09/1069893509.db2.gz JRDUVKBMRBKSTA-UHFFFAOYSA-N 0 3 451.402 3.657 20 0 JHADHN CCOc1ccccc1OCc1nnc(N2CCN(C(C)(C)C)CC2)n1C[C@H]1OCC[C@H]1C ZINC001314226804 1069898590 /nfs/dbraw/zinc/89/85/90/1069898590.db2.gz IEGCQXGIMBKMPR-DENIHFKCSA-N 0 3 457.619 3.601 20 0 JHADHN COC(=O)c1ccc2c(c1)nc(SC[C@H]1CCN(C)C1)n(Cc1ccccc1Cl)c2=O ZINC001307248530 1069914918 /nfs/dbraw/zinc/91/49/18/1069914918.db2.gz PGFMOIVKDWFQHW-HNNXBMFYSA-N 0 3 457.983 3.929 20 0 JHADHN CN(C)CCN(Cc1cccs1)C(=O)N[C@H](c1ccc(Cl)cc1)[C@H]1CN(C)CCO1 ZINC001312427526 1069929822 /nfs/dbraw/zinc/92/98/22/1069929822.db2.gz WMAQJFOBDZQHQJ-NHCUHLMSSA-N 0 3 451.036 3.547 20 0 JHADHN CCN1CCN(c2ccc(NC(=O)CSc3nnc(Cc4ccccc4F)o3)cc2)CC1 ZINC001307301973 1069933320 /nfs/dbraw/zinc/93/33/20/1069933320.db2.gz YKACQIOOGSUHCI-UHFFFAOYSA-N 0 3 455.559 3.672 20 0 JHADHN O=C(OCc1ccccc1)N1CCC[C@](O)(CN(Cc2cccc(F)c2)C[C@H]2CCCO2)C1 ZINC001307441658 1069986118 /nfs/dbraw/zinc/98/61/18/1069986118.db2.gz INJWWQFURKWWBD-RSXGOPAZSA-N 0 3 456.558 3.970 20 0 JHADHN CCOC1CC(O)(Cn2c([C@@H](C)Oc3cccc(C)c3C)nnc2N2CCN(CC(C)C)CC2)C1 ZINC001314254753 1069989068 /nfs/dbraw/zinc/98/90/68/1069989068.db2.gz RKARULHKNMNVHW-WXFIPNSDSA-N 0 3 485.673 3.743 20 0 JHADHN CCOC1CC(O)(Cn2c(-c3ccc(Cl)cc3Cl)nnc2N2CCN(CC(C)C)CC2)C1 ZINC001314260241 1070000361 /nfs/dbraw/zinc/00/03/61/1070000361.db2.gz WPGCYDNGWPQOBC-UHFFFAOYSA-N 0 3 482.456 3.960 20 0 JHADHN CCOC(=O)c1c2c(sc1NC(=O)CN1CCCN(Cc3ccccc3)C[C@H]1C)CCC2 ZINC001307481927 1070009448 /nfs/dbraw/zinc/00/94/48/1070009448.db2.gz KZZOYYHQRBMROT-GOSISDBHSA-N 0 3 455.624 3.948 20 0 JHADHN CCO[C@@H]1CCCN(c2nnc(-c3cccc(Cl)c3)n2C[C@H](C)N2CCN(CC)CC2)C1 ZINC001314266079 1070015291 /nfs/dbraw/zinc/01/52/91/1070015291.db2.gz SHQRYHLBJQSQEC-SIKLNZKXSA-N 0 3 461.054 3.630 20 0 JHADHN CCN(C(=O)NC[C@@H]1CC(c2ccc(OC)c(C)c2)=NO1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001312569381 1070020125 /nfs/dbraw/zinc/02/01/25/1070020125.db2.gz BWBGZWFYKQUPIM-PKTZIBPZSA-N 0 3 450.583 3.803 20 0 JHADHN O=C(NC1CC(N2CCC(C(F)(F)F)CC2)C1)N1CCN(Cc2ccc(Cl)cc2)CC1 ZINC001312634055 1070055670 /nfs/dbraw/zinc/05/56/70/1070055670.db2.gz UVBJTZQYEXLHKA-UHFFFAOYSA-N 0 3 458.956 3.973 20 0 JHADHN Cc1cc(CN(CC(C)C)C[C@H](O)c2cc(Br)no2)nc(N2CCCCC2)n1 ZINC001307589395 1070068987 /nfs/dbraw/zinc/06/89/87/1070068987.db2.gz AWHZZOTUARLWBG-KRWDZBQOSA-N 0 3 452.397 3.717 20 0 JHADHN CC[C@H](NCC(=O)N1CCCc2cc(S(=O)(=O)N3CCCC3)ccc21)c1ccc(C)cc1 ZINC001307642464 1070097702 /nfs/dbraw/zinc/09/77/02/1070097702.db2.gz ISQXMAOOELXHLS-QHCPKHFHSA-N 0 3 455.624 3.800 20 0 JHADHN C[C@H](c1ccccc1F)N1CCC[C@@H](NC(=O)N[C@]2(C)CCN(Cc3ccccc3)C2)C1=O ZINC001312750541 1070103433 /nfs/dbraw/zinc/10/34/33/1070103433.db2.gz XHLOONNNTLBKHH-GVCORALISA-N 0 3 452.574 3.842 20 0 JHADHN CCOCc1nnc(N2CCC(C(=O)N(C)C(C)C)CC2)n1C[C@@H](c1cccs1)N1CCCC1 ZINC001314324004 1070109708 /nfs/dbraw/zinc/10/97/08/1070109708.db2.gz ARWZCBSFXDMKIV-NRFANRHFSA-N 0 3 488.702 3.796 20 0 JHADHN CC(=O)Nc1c[nH]nc1[C@@H]1CCCN(CCC(=O)N[C@@H](c2cccs2)c2ccccc2)C1 ZINC001307671818 1070115536 /nfs/dbraw/zinc/11/55/36/1070115536.db2.gz HPIFMVSFQQILHA-NTKDMRAZSA-N 0 3 451.596 3.905 20 0 JHADHN CC(C)(COc1ccc(C(F)(F)F)cn1)NCC(=O)N1CCO[C@@H](c2ccc(F)cc2)C1 ZINC001307677687 1070120462 /nfs/dbraw/zinc/12/04/62/1070120462.db2.gz AQRHGRVUJGLKCX-GOSISDBHSA-N 0 3 455.452 3.587 20 0 JHADHN COc1cc(NC(=O)CNC(C)(C)COc2ncccc2C(F)(F)F)cc(OC)c1OC ZINC001307680862 1070122157 /nfs/dbraw/zinc/12/21/57/1070122157.db2.gz UWQSAZAGDJZQIG-UHFFFAOYSA-N 0 3 457.449 3.512 20 0 JHADHN CC(C)Oc1ccc([C@H](CNC(=O)N(C)Cc2ccccc2N2CCOCC2)N(C)C)cc1 ZINC001312806401 1070133968 /nfs/dbraw/zinc/13/39/68/1070133968.db2.gz QBOBOWKVJXFPOS-VWLOTQADSA-N 0 3 454.615 3.755 20 0 JHADHN CCOCc1nnc(N2CCC(c3cnn(C)c3)CC2)n1C[C@H](c1ccc(C)cc1)N(C)C ZINC001314338741 1070135639 /nfs/dbraw/zinc/13/56/39/1070135639.db2.gz GSJIIITZJPUYLF-HSZRJFAPSA-N 0 3 451.619 3.543 20 0 JHADHN COC(=O)c1ccc(CN(C)[C@@H](C)c2cccc(N3CCCS3(=O)=O)c2)c2ncccc12 ZINC001307712864 1070140537 /nfs/dbraw/zinc/14/05/37/1070140537.db2.gz LDLYDOLRUYOEND-KRWDZBQOSA-N 0 3 453.564 3.754 20 0 JHADHN COc1cc(OC)cc(C2(F)CCN(C[C@@]3(O)CCCN(C(=O)OC(C)(C)C)C3)CC2)c1 ZINC001307720939 1070145913 /nfs/dbraw/zinc/14/59/13/1070145913.db2.gz BTUIJAVEFSOJQF-QHCPKHFHSA-N 0 3 452.567 3.726 20 0 JHADHN COC(=O)[C@@H]1C[C@@H]2[C@H](CC[C@H](C)N2CCC(=O)Nc2ccc(OCc3ccccc3)cc2)O1 ZINC001307719918 1070145230 /nfs/dbraw/zinc/14/52/30/1070145230.db2.gz QVBSFTDWGSBXOS-QODFHFCMSA-N 0 3 452.551 3.778 20 0 JHADHN O=C(N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1cccc(F)c1)N1CC(=O)N(CCC(F)(F)F)C1 ZINC001312840473 1070149849 /nfs/dbraw/zinc/14/98/49/1070149849.db2.gz UNCRNOBCLNLJJK-LEWJYISDSA-N 0 3 478.490 3.557 20 0 JHADHN C[C@H](N[C@H]1[C@@H](C)N(C(=O)OC(C)(C)C)CC[C@@H]1C)C(=O)Nc1ccc2c(c1)OC(F)(F)O2 ZINC001307750088 1070165838 /nfs/dbraw/zinc/16/58/38/1070165838.db2.gz WGXOWJBAFCSUIE-UYAYXHRUSA-N 0 3 455.502 3.959 20 0 JHADHN COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CNC(C)(C)c1ccccc1C ZINC001307791878 1070183732 /nfs/dbraw/zinc/18/37/32/1070183732.db2.gz ALXLSWUEOOJLOH-UHFFFAOYSA-N 0 3 459.612 3.642 20 0 JHADHN 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1070359126 /nfs/dbraw/zinc/35/91/26/1070359126.db2.gz LQSTUPQMFGYSLP-GJZUVCINSA-N 0 3 471.646 3.662 20 0 JHADHN CCCN1CCC[C@H]1Cn1c(-c2cccc(Cl)c2)nnc1N(C)[C@H](C)CS(=O)(=O)CC ZINC001313446591 1070363805 /nfs/dbraw/zinc/36/38/05/1070363805.db2.gz CUNZYNIZHCJPBI-XLIONFOSSA-N 0 3 468.067 3.732 20 0 JHADHN CCCN1CCC[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1C[C@H](C)CC[C@@H]1C ZINC001313446210 1070361881 /nfs/dbraw/zinc/36/18/81/1070361881.db2.gz AABYQTORXDSJCD-DYXWJJEUSA-N 0 3 459.660 3.848 20 0 JHADHN CC(C)(C)OC(=O)N1CCC[C@H](n2nncc2CNCCc2cccc(C(F)(F)F)n2)C1 ZINC001308417100 1070373027 /nfs/dbraw/zinc/37/30/27/1070373027.db2.gz NVZJABGOXFUPDC-INIZCTEOSA-N 0 3 454.497 3.596 20 0 JHADHN CN(C)S(=O)(=O)C1(CNCc2ccc(OCc3ccccc3)c(Br)c2)CC1 ZINC001308522582 1070385241 /nfs/dbraw/zinc/38/52/41/1070385241.db2.gz AGYOJFFVOBXIEV-UHFFFAOYSA-N 0 3 453.402 3.542 20 0 JHADHN CCOCCN(CC)c1nnc([C@@H]2CCCCO2)n1CC1(N2CCSCC2)CCCC1 ZINC001314475058 1070385803 /nfs/dbraw/zinc/38/58/03/1070385803.db2.gz 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C[C@@H]1C[C@H](C)CN(C(C)(C)CNS(=O)(=O)c2cc(Cl)ccc2OC[C@H]2CCOC2)C1 ZINC001309100986 1070540782 /nfs/dbraw/zinc/54/07/82/1070540782.db2.gz SRIIWYDDELXAQY-KSZLIROESA-N 0 3 459.052 3.790 20 0 JHADHN CC[S@](=O)CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCC[C@H](N2CCCC2)C1 ZINC001314580100 1070591429 /nfs/dbraw/zinc/59/14/29/1070591429.db2.gz QZIBKRRPLIIBHU-RIPCNWKXSA-N 0 3 487.714 3.988 20 0 JHADHN CCSc1cccc(Cn2c([C@H]3OCC[C@H]3COC)nnc2N2CCN(CC(C)C)CC2)c1 ZINC001314587140 1070610831 /nfs/dbraw/zinc/61/08/31/1070610831.db2.gz SMRSEWLXFLBIFA-GMAHTHKFSA-N 0 3 473.687 3.940 20 0 JHADHN CCS[C@@H]1CC[C@H](N(C)c2nnc(C(=O)N3CCCC3)n2CCN2CCCC(C)(C)C2)C1 ZINC001314590117 1070617808 /nfs/dbraw/zinc/61/78/08/1070617808.db2.gz WOAHCIIXUNCTSU-VQTJNVASSA-N 0 3 462.708 3.747 20 0 JHADHN CCS[C@H]1CCCCN(c2nnc(C(=O)Nc3ccccn3)n2CCN2CCC[C@@H]2C)C1 ZINC001314593763 1070629559 /nfs/dbraw/zinc/62/95/59/1070629559.db2.gz ZOZRLZBULLUXIN-OALUTQOASA-N 0 3 457.648 3.522 20 0 JHADHN 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CCN(c1nnc(-c2ccc(Cl)cc2)n1C[C@@H]1CCCN(C(C)C)C1)[C@@H]1CCS(=O)(=O)C1 ZINC001313587679 1070714042 /nfs/dbraw/zinc/71/40/42/1070714042.db2.gz LJGOUUFEPIKIII-WIYYLYMNSA-N 0 3 480.078 3.732 20 0 JHADHN CCN(c1nnc(-c2ccccc2Cl)n1C[C@H](CC(C)C)N(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC001313592296 1070719272 /nfs/dbraw/zinc/71/92/72/1070719272.db2.gz PYVGJOZWMYHBJI-MSOLQXFVSA-N 0 3 468.067 3.588 20 0 JHADHN CN(C)C(=O)[C@H]1CCCN1CCCn1c(CC(C)(C)C)nnc1N1CCc2c(F)ccc(F)c2C1 ZINC001314627928 1070722143 /nfs/dbraw/zinc/72/21/43/1070722143.db2.gz FFKAFCVYIWKOPP-JOCHJYFZSA-N 0 3 488.627 3.650 20 0 JHADHN CN(C)C(=O)[C@@H]1CCCN1CCCn1c(N2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)nnc1C(C)(C)C ZINC001314628180 1070722784 /nfs/dbraw/zinc/72/27/84/1070722784.db2.gz GUMLGRQJVYAWJU-JKSBSHDWSA-N 0 3 485.504 3.538 20 0 JHADHN CN(C)C(=O)[C@@H]1CCCN1CCCn1c(N2CC[C@H](COCc3ccccc3)C2)nnc1C(C)(C)C ZINC001314628192 1070723545 /nfs/dbraw/zinc/72/35/45/1070723545.db2.gz GVJRJNNAZHBWKB-ZEQRLZLVSA-N 0 3 496.700 3.561 20 0 JHADHN CN(C)C(=O)[C@@H]1CCCN1CCCn1c(C2CCCC2)nnc1N1CCC[C@H](OC(C)(C)C)C1 ZINC001314630340 1070730827 /nfs/dbraw/zinc/73/08/27/1070730827.db2.gz XQWWSYHSQIKDGZ-VXKWHMMOSA-N 0 3 474.694 3.662 20 0 JHADHN CCN(c1nnc(C2CCN(c3ncccn3)CC2)n1C[C@@H](c1ccccc1)N(C)C)C(C)C ZINC001313604696 1070728193 /nfs/dbraw/zinc/72/81/93/1070728193.db2.gz MINMIYJQZRTLND-QHCPKHFHSA-N 0 3 462.646 3.990 20 0 JHADHN CN(C)[C@H](Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@@](C)(C(N)=O)C1)c1ccsc1 ZINC001314646477 1070747012 /nfs/dbraw/zinc/74/70/12/1070747012.db2.gz CJYNUHSTPMVCKI-WZONZLPQSA-N 0 3 490.580 3.613 20 0 JHADHN CN(C)[C@@H](Cn1c(-c2ccc[nH]2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1)c1cccc(F)c1 ZINC001314648479 1070752608 /nfs/dbraw/zinc/75/26/08/1070752608.db2.gz GCOORLSKQCBLQB-UNMCSNQZSA-N 0 3 481.620 3.846 20 0 JHADHN CN(C)[C@H](Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC[C@H](C(N)=O)C1)c1ccsc1 ZINC001314648881 1070753736 /nfs/dbraw/zinc/75/37/36/1070753736.db2.gz PJQZPKASYLQMRV-QFBILLFUSA-N 0 3 459.019 3.665 20 0 JHADHN CN(C)[C@H](Cn1c(CNC(=O)c2cccs2)nnc1N1CCC(F)(F)CC1)c1ccccc1 ZINC001314653695 1070766510 /nfs/dbraw/zinc/76/65/10/1070766510.db2.gz GUBYOOLEXBEEAA-GOSISDBHSA-N 0 3 474.581 3.808 20 0 JHADHN CN(C)[C@@H](Cn1c([C@H]2CCCCO2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1)c1cccs1 ZINC001314650935 1070760025 /nfs/dbraw/zinc/76/00/25/1070760025.db2.gz NISNXRDJQHKACX-GBESFXJTSA-N 0 3 490.674 3.988 20 0 JHADHN CN(C)[C@H](Cn1c(-c2cnn(C)c2)nnc1N1CCC(Cl)=C(Cl)C1)c1ccsc1 ZINC001314651709 1070761786 /nfs/dbraw/zinc/76/17/86/1070761786.db2.gz XLDXRADSPMFUPR-QGZVFWFLSA-N 0 3 452.415 3.942 20 0 JHADHN Cc1ccc([C@@H]2CN(Cc3ccccc3)C[C@H]2S(=O)(=O)N[C@H](CCO)Cc2ccccc2)cc1 ZINC001309435815 1070768257 /nfs/dbraw/zinc/76/82/57/1070768257.db2.gz XCPKSECEDZTTKM-OZNIXHKMSA-N 0 3 478.658 3.876 20 0 JHADHN CN(C)[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCC[C@@H](C(=O)NCC2CC2)C1)c1cccs1 ZINC001314656562 1070775813 /nfs/dbraw/zinc/77/58/13/1070775813.db2.gz PXLGJMJMQMWMJX-UXHICEINSA-N 0 3 472.703 3.974 20 0 JHADHN CN(C)[C@H](Cn1c(CC2CC2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1)c1ccccc1 ZINC001314655891 1070773884 /nfs/dbraw/zinc/77/38/84/1070773884.db2.gz UTMOTRYJUZBJIB-FCHUYYIVSA-N 0 3 452.647 3.665 20 0 JHADHN CN(C)[C@@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@H](C(N)=O)C1)c1cccs1 ZINC001314656079 1070773985 /nfs/dbraw/zinc/77/39/85/1070773985.db2.gz OTZIAFADXHCOAH-HKUYNNGSSA-N 0 3 473.046 3.588 20 0 JHADHN CN(C)c1ccc(Cn2c(COc3ccc(Cl)cc3)nnc2N2CCN(C(C)(C)C)CC2)cn1 ZINC001314658684 1070780134 /nfs/dbraw/zinc/78/01/34/1070780134.db2.gz FPIMKRZQTZRWJC-UHFFFAOYSA-N 0 3 484.048 3.940 20 0 JHADHN CN(C)CC(C)(C)Cn1c(N2CCCC[C@@H](S(C)(=O)=O)C2)nnc1C1(c2ccccc2)CCC1 ZINC001314666630 1070799470 /nfs/dbraw/zinc/79/94/70/1070799470.db2.gz SZHXDYYDLRMLCN-JOCHJYFZSA-N 0 3 487.714 3.739 20 0 JHADHN CN(c1nnc(-c2ccccn2)n1CC[S@@](=O)C(C)(C)C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001314684163 1070840989 /nfs/dbraw/zinc/84/09/89/1070840989.db2.gz DNHLLXIEMKQCTH-GMWXTNTRSA-N 0 3 480.682 3.988 20 0 JHADHN CCN(CC)[C@H](C)Cn1c(-c2cc(C)nc3ccccc32)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 ZINC001313658436 1070859292 /nfs/dbraw/zinc/85/92/92/1070859292.db2.gz YXTMMLPMWSXEPM-WOJBJXKFSA-N 0 3 484.670 3.545 20 0 JHADHN CCN(CC)[C@@H](Cn1c(C(C)C)nnc1N1CCN(c2ccnc(C)n2)CC1)c1ccsc1 ZINC001313663730 1070873429 /nfs/dbraw/zinc/87/34/29/1070873429.db2.gz HBCPHOIBRBLJMW-NRFANRHFSA-N 0 3 468.675 3.971 20 0 JHADHN CCN(CC)[C@H](Cn1c(-c2ccc[nH]2)nnc1N1CCC(NC(=O)C(C)C)CC1)c1ccco1 ZINC001313671720 1070901015 /nfs/dbraw/zinc/90/10/15/1070901015.db2.gz KKCOGAULJOUPQE-OAQYLSRUSA-N 0 3 467.618 3.690 20 0 JHADHN CCN(CC)[C@@H](Cn1c(COc2cccc(C)c2)nnc1N1CCN(C)C(=O)[C@@H]1C)c1ccsc1 ZINC001313674433 1070911792 /nfs/dbraw/zinc/91/17/92/1070911792.db2.gz JGQAZONREJNGIV-REWPJTCUSA-N 0 3 496.681 3.977 20 0 JHADHN O=S(=O)(NC/C=C/c1cccnc1)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccc(F)cc1 ZINC001309666380 1070911990 /nfs/dbraw/zinc/91/19/90/1070911990.db2.gz RBJTVAJPPWQACC-XIQFKVFHSA-N 0 3 451.567 3.822 20 0 JHADHN CCN(CC)[C@H](Cn1c(Cn2nc(C)cc2C)nnc1N1CCO[C@@H](C)C1)c1ccsc1 ZINC001313674516 1070912466 /nfs/dbraw/zinc/91/24/66/1070912466.db2.gz KMNFBPLRBZTRFT-PZJWPPBQSA-N 0 3 457.648 3.509 20 0 JHADHN CN(Cc1c(F)cccc1Cl)c1nnc([C@@H]2CCCCO2)n1CCN1CCN(C)C(C)(C)C1 ZINC001314720199 1070914396 /nfs/dbraw/zinc/91/43/96/1070914396.db2.gz QLOSJFOFFOSWKR-NRFANRHFSA-N 0 3 479.044 3.975 20 0 JHADHN CCN(CC)[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N(C)Cc1cc(Cl)ccn1)c1ccco1 ZINC001313675218 1070914999 /nfs/dbraw/zinc/91/49/99/1070914999.db2.gz YHQATRVOEBBTEI-OALUTQOASA-N 0 3 471.993 3.590 20 0 JHADHN CCN(CC)[C@H](Cn1c(-c2cccc(S(=O)(=O)N(C)C)c2)nnc1N1CC=CCC1)c1ccco1 ZINC001313675363 1070915636 /nfs/dbraw/zinc/91/56/36/1070915636.db2.gz SIKVLZLJKRDMTA-JOCHJYFZSA-N 0 3 498.653 3.638 20 0 JHADHN CN(C)[C@H](Cn1c(-c2cnn(C)c2)nnc1N(C)Cc1cc(Cl)ccn1)c1cccc(F)c1 ZINC001314720932 1070917250 /nfs/dbraw/zinc/91/72/50/1070917250.db2.gz HMVKHQJGOBRLIV-OAQYLSRUSA-N 0 3 468.968 3.805 20 0 JHADHN CCN(CC)[C@@H](Cn1c(N2CCN(CC(F)(F)F)CC2)nnc1C(C)(C)C)c1ccco1 ZINC001313676650 1070922180 /nfs/dbraw/zinc/92/21/80/1070922180.db2.gz YOTGVJUSJMQVAS-KRWDZBQOSA-N 0 3 456.557 3.936 20 0 JHADHN CCN(CC)[C@H](Cn1c(CC(C)(C)C)nnc1N1CCN2C(=O)CC[C@H]2C1)c1ccsc1 ZINC001313677676 1070926254 /nfs/dbraw/zinc/92/62/54/1070926254.db2.gz LNPMMHZLMJYEFM-VQTJNVASSA-N 0 3 458.676 3.822 20 0 JHADHN CCN(CC)[C@@H](Cn1c(Cc2ccccc2OC)nnc1N1CCCOCC1)c1ccco1 ZINC001313678832 1070929053 /nfs/dbraw/zinc/92/90/53/1070929053.db2.gz OLALNFSAAIFYRL-NRFANRHFSA-N 0 3 453.587 3.780 20 0 JHADHN CCN(CC)c1ccc(Cn2c(-c3cccc(C)n3)nnc2N2CCN(C(C)(C)C)CC2)cn1 ZINC001313678600 1070929818 /nfs/dbraw/zinc/92/98/18/1070929818.db2.gz DQRNTKRTWKJCHY-UHFFFAOYSA-N 0 3 462.646 3.859 20 0 JHADHN Cc1cc(S(=O)(=O)[N-]CC2(c3ccccc3)CC[NH+](C)CC2)c(F)cc1Br ZINC001309771601 1070961780 /nfs/dbraw/zinc/96/17/80/1070961780.db2.gz DMMOVYYTMHARFT-UHFFFAOYSA-N 0 3 455.393 3.839 20 0 JHADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccccc3C)n2C[C@@H]2CC=CCC2)CC1 ZINC001313698664 1070970852 /nfs/dbraw/zinc/97/08/52/1070970852.db2.gz CCNVVVIBXWEUDG-JOCHJYFZSA-N 0 3 450.631 3.600 20 0 JHADHN CCN(CC)CC(=O)N1CCN(c2nnc(Cc3ccsc3)n2C[C@@H](SC)C(C)(C)C)CC1 ZINC001313698491 1070970922 /nfs/dbraw/zinc/97/09/22/1070970922.db2.gz FBMIDRVYZRTXBF-HXUWFJFHSA-N 0 3 492.759 3.699 20 0 JHADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccc(C)o3)n2C/C=C\c2ccccc2)CC1 ZINC001313698888 1070971553 /nfs/dbraw/zinc/97/15/53/1070971553.db2.gz DMEXJXDLTUWPAU-XFXZXTDPSA-N 0 3 462.598 3.550 20 0 JHADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@H](OC)C(C)C)CC1 ZINC001313700010 1070975927 /nfs/dbraw/zinc/97/59/27/1070975927.db2.gz SGBOXINOHZDSOJ-DEOSSOPVSA-N 0 3 498.716 3.904 20 0 JHADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3cc(C)nc4ccccc43)n2C[C@H](C)SC)CC1 ZINC001313701168 1070979358 /nfs/dbraw/zinc/97/93/58/1070979358.db2.gz SKDGHYZIRWTGQR-FQEVSTJZSA-N 0 3 495.697 3.544 20 0 JHADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccccc3C)n2C[C@H]2CCCO[C@H]2C(C)C)CC1 ZINC001313700367 1070976862 /nfs/dbraw/zinc/97/68/62/1070976862.db2.gz WNMWHWWBKOFPED-BVAGGSTKSA-N 0 3 496.700 3.695 20 0 JHADHN CN(Cc1ccccc1)C1(CNS(=O)(=O)Cc2cccc(C(F)(F)F)c2)CCOCC1 ZINC001309837323 1070991271 /nfs/dbraw/zinc/99/12/71/1070991271.db2.gz GFUIAXOJMDNSCH-UHFFFAOYSA-N 0 3 456.530 3.806 20 0 JHADHN O=S(=O)(CCOCc1ccccc1)N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccccc1 ZINC001309916316 1071016159 /nfs/dbraw/zinc/01/61/59/1071016159.db2.gz XGNHPTWUMVRKHL-IZZNHLLZSA-N 0 3 450.604 3.791 20 0 JHADHN CCN(CC)[C@H](C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H]1c1cccc(C)c1 ZINC001313725711 1071033463 /nfs/dbraw/zinc/03/34/63/1071033463.db2.gz PCQAZXIJWMWIPA-FCEUIQTBSA-N 0 3 459.660 3.560 20 0 JHADHN CCN(CC)[C@H](C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H]1c1cccc(C)c1 ZINC001313725710 1071033492 /nfs/dbraw/zinc/03/34/92/1071033492.db2.gz PCQAZXIJWMWIPA-CEMLEFRQSA-N 0 3 459.660 3.560 20 0 JHADHN CCN(Cc1ccc(Cl)s1)c1nnc(C(=O)N2CCCC2)n1CCN1CCC(C)CC1 ZINC001313730056 1071043672 /nfs/dbraw/zinc/04/36/72/1071043672.db2.gz RIOQHFVCMGEYMC-UHFFFAOYSA-N 0 3 465.067 3.987 20 0 JHADHN CCN1CCN(c2ccc(NC(=O)NCCNc3ncccc3C(F)(F)F)c(C)c2)CC1 ZINC001310020262 1071065643 /nfs/dbraw/zinc/06/56/43/1071065643.db2.gz RHHVMAUDMSUUQG-UHFFFAOYSA-N 0 3 450.509 3.784 20 0 JHADHN CCN1CCN(c2ccc(NC(=O)NC[C@]3(C)CCCN(C(=O)OC(C)(C)C)C3)cc2)CC1 ZINC001310037756 1071076729 /nfs/dbraw/zinc/07/67/29/1071076729.db2.gz YEUMXLSHUSIIOO-VWLOTQADSA-N 0 3 459.635 3.987 20 0 JHADHN CN(C)[C@@H](Cn1c(CN2CCCC2=O)nnc1N(C)CCc1ccccc1F)c1cccs1 ZINC001314831483 1071163711 /nfs/dbraw/zinc/16/37/11/1071163711.db2.gz FAAKTLAIXNESLU-FQEVSTJZSA-N 0 3 470.618 3.583 20 0 JHADHN O=C(NC[C@]1(O)CCN(Cc2ccccc2)C1)Nc1cc(Cl)ccc1OC[C@@H]1CCCO1 ZINC001310194098 1071200299 /nfs/dbraw/zinc/20/02/99/1071200299.db2.gz CQTGZVDTWYAMLW-GBXCKJPGSA-N 0 3 459.974 3.656 20 0 JHADHN CCN(CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)Cc1cc(Cl)ccn1)C(C)C ZINC001313802065 1071207455 /nfs/dbraw/zinc/20/74/55/1071207455.db2.gz CHCUAMMDAGCEID-UHFFFAOYSA-N 0 3 491.061 3.764 20 0 JHADHN CCN(CCn1c(-c2cc(OC)cc(OC)c2)nnc1N1CCSCC1)CCC(F)(F)F ZINC001313803319 1071210508 /nfs/dbraw/zinc/21/05/08/1071210508.db2.gz OJOXGMVJKZAAQM-UHFFFAOYSA-N 0 3 473.565 3.790 20 0 JHADHN CCN(CCn1c(-c2cccc(OC)c2)nnc1N1CCC[C@H](n2cncn2)C1)CCC(F)(F)F ZINC001313803335 1071210527 /nfs/dbraw/zinc/21/05/27/1071210527.db2.gz OWPOFPWIMZIIMH-IBGZPJMESA-N 0 3 492.550 3.661 20 0 JHADHN CCN(CC)[C@H](CNC(=O)Nc1ccc(=O)n(CCOC)c1)c1ccc(C(F)(F)F)cc1 ZINC001310225084 1071220038 /nfs/dbraw/zinc/22/00/38/1071220038.db2.gz APSDQUPGHQJVQB-LJQANCHMSA-N 0 3 454.493 3.718 20 0 JHADHN CCN(CCn1c(-c2ccccc2OC)nnc1N1CCC[C@H](C(=O)OC)C1)CCC(F)(F)F ZINC001313807828 1071230191 /nfs/dbraw/zinc/23/01/91/1071230191.db2.gz AVFLMTGLMOYTJO-KRWDZBQOSA-N 0 3 483.535 3.617 20 0 JHADHN CCN(CCn1c(-c2ccccc2C)nnc1N1CC[C@@H](C(=O)OC)C1)CCC(F)(F)F ZINC001313807663 1071229670 /nfs/dbraw/zinc/22/96/70/1071229670.db2.gz UPLCELQTVQTWLN-QGZVFWFLSA-N 0 3 453.509 3.527 20 0 JHADHN CN(CCCn1c([C@H]2CCCO2)nnc1N1CCN(C2CCCCC2)CC1)C(=O)OC(C)(C)C 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CCN1C[C@H](C)N(c2nnc(Cc3ccccc3C)n2CCNC(=O)OC(C)(C)C)C[C@@H]1C ZINC001313879238 1071448625 /nfs/dbraw/zinc/44/86/25/1071448625.db2.gz ZEKXZGNFVSTCDQ-PMACEKPBSA-N 0 3 456.635 3.621 20 0 JHADHN CCN1C[C@H](C)N(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@]2(O)CCC[C@@H]2C)C[C@H]1C ZINC001313882679 1071458980 /nfs/dbraw/zinc/45/89/80/1071458980.db2.gz GCOSOPDLJKBTSZ-PNDCXUBYSA-N 0 3 490.693 3.519 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc([C@H]3CCCO3)n2CCOc2cccc(C(F)(F)F)n2)C[C@@H]1C ZINC001313882749 1071459013 /nfs/dbraw/zinc/45/90/13/1071459013.db2.gz GYZUMZLFHGGTOJ-GVDBMIGSSA-N 0 3 468.524 3.541 20 0 JHADHN CCN1C[C@H](C)N(c2nnc([C@H]3CCCO3)n2CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)C[C@@H]1C ZINC001313884978 1071465752 /nfs/dbraw/zinc/46/57/52/1071465752.db2.gz ONRLEVUYUODMEI-XSDIEEQYSA-N 0 3 476.666 3.696 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc([C@H]3OCC[C@H]3COC)n2CCc2ccc(C)cc2C)C[C@@H]1C ZINC001313885372 1071465850 /nfs/dbraw/zinc/46/58/50/1071465850.db2.gz OTYFHEVEUFRFFU-DVKRWUGUSA-N 0 3 455.647 3.781 20 0 JHADHN CCN1C[C@H](C)N(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CC(O)(CC)CC)C[C@@H]1C ZINC001313886325 1071469947 /nfs/dbraw/zinc/46/99/47/1071469947.db2.gz RTDUIFIUOWKZRX-LWYYNNOASA-N 0 3 478.682 3.519 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(CSc3ccc(C)cc3)n2CCCC(=O)N(C)C)C[C@H]1C ZINC001313888562 1071477701 /nfs/dbraw/zinc/47/77/01/1071477701.db2.gz WOWZXXSFAHRSOG-WOJBJXKFSA-N 0 3 458.676 3.666 20 0 JHADHN CNC(=O)c1cccc(CCn2c(-c3ccc(Cl)nc3)nnc2N2CCN(C(C)(C)C)CC2)c1 ZINC001314980657 1071482853 /nfs/dbraw/zinc/48/28/53/1071482853.db2.gz YQQJIEGLXWSECE-UHFFFAOYSA-N 0 3 482.032 3.516 20 0 JHADHN CCN1CCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)C[C@H]1CCCO[C@H]1c1ccccc1 ZINC001313896593 1071500408 /nfs/dbraw/zinc/50/04/08/1071500408.db2.gz GPPIXQGYLOZTCE-ZLNRFVROSA-N 0 3 468.646 3.505 20 0 JHADHN CCN1CCCC[C@@H]1Cn1c(C(=O)Nc2ccccn2)nnc1N1CCC(Cl)=C(Cl)C1 ZINC001313905537 1071521432 /nfs/dbraw/zinc/52/14/32/1071521432.db2.gz MLRJFPQLUJAGIZ-OAHLLOKOSA-N 0 3 464.401 3.699 20 0 JHADHN CCN1CCCC[C@@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@H](C)[C@@H](OC)C1 ZINC001313907245 1071527658 /nfs/dbraw/zinc/52/76/58/1071527658.db2.gz ZYEJFXLBGNALFA-QIJUGHKUSA-N 0 3 489.064 3.597 20 0 JHADHN CNC(=O)CC1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CCN2CCCCC2)CC1 ZINC001315017385 1071537567 /nfs/dbraw/zinc/53/75/67/1071537567.db2.gz SEBJJIZJICQGAQ-LJQANCHMSA-N 0 3 489.064 3.910 20 0 JHADHN CCN1CCN([C@H](C)Cn2c([C@@H](C)Oc3cccc(C)c3C)nnc2N(C)CC2CCOCC2)CC1 ZINC001313921192 1071561392 /nfs/dbraw/zinc/56/13/92/1071561392.db2.gz OYLANOGBFRCLLR-ISKFKSNPSA-N 0 3 498.716 3.924 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(C(C)C)nnc2N2CCO[C@H](c3ccc(Cl)cc3)C2)CC1 ZINC001313921862 1071562362 /nfs/dbraw/zinc/56/23/62/1071562362.db2.gz TWYKYMCHMFJLRE-KNQAVFIVSA-N 0 3 461.054 3.659 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(-c3ccc(Cl)cc3F)nnc2N2CCC(CCCO)CC2)CC1 ZINC001313923953 1071568916 /nfs/dbraw/zinc/56/89/16/1071568916.db2.gz BFGNRCOLANGHNW-LJQANCHMSA-N 0 3 493.071 3.753 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(-c3ccccc3Br)nnc2N(C)Cc2ccccn2)CC1 ZINC001313924780 1071571422 /nfs/dbraw/zinc/57/14/22/1071571422.db2.gz IKGRTFXOBWBCFM-IBGZPJMESA-N 0 3 498.473 3.765 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(-c3ccccc3OC)nnc2N(C)Cc2ccc(C)s2)CC1 ZINC001313924845 1071572019 /nfs/dbraw/zinc/57/20/19/1071572019.db2.gz JUVUIKUHDVOADN-LJQANCHMSA-N 0 3 468.671 3.986 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(Cc3ccccc3OC)nnc2N2CCC[C@@H](OC(C)(C)C)C2)CC1 ZINC001313925728 1071574025 /nfs/dbraw/zinc/57/40/25/1071574025.db2.gz BMIJPVNWESIISA-LADGPHEKSA-N 0 3 498.716 3.687 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(CC3CC3)nnc2N(C)Cc2csc(Br)c2)CC1 ZINC001313926355 1071576205 /nfs/dbraw/zinc/57/62/05/1071576205.db2.gz FKBHHMYZASEDRP-INIZCTEOSA-N 0 3 481.508 3.717 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(COc3cc(C)ccc3C)nnc2N2CCOC(C)(C)[C@H]2C)CC1 ZINC001313926656 1071576941 /nfs/dbraw/zinc/57/69/41/1071576941.db2.gz DYGMMHIQORTVBS-DHIUTWEWSA-N 0 3 484.689 3.504 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(CC3CCCC3)nnc2N2CCC[C@H](OCC(F)(F)F)C2)CC1 ZINC001313927766 1071581241 /nfs/dbraw/zinc/58/12/41/1071581241.db2.gz LZRHWJMGODQCHD-FPOVZHCZSA-N 0 3 486.627 3.585 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(COc3ccc(F)cc3)nnc2N2CCC(C)(C)CC2)CC1 ZINC001313927291 1071579376 /nfs/dbraw/zinc/57/93/76/1071579376.db2.gz KIHLNEPIBZDIMM-FQEVSTJZSA-N 0 3 458.626 3.649 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(Cc3ccc(F)cc3)nnc2N2CC[C@@H](C(C)(C)C)C2)CC1 ZINC001313928057 1071582466 /nfs/dbraw/zinc/58/24/66/1071582466.db2.gz NFIIVDRNXAYESI-RBBKRZOGSA-N 0 3 456.654 3.906 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(Cn3nc(C)cc3C)nnc2N(C)[C@H](C)c2ccc(F)cc2)CC1 ZINC001313928042 1071582646 /nfs/dbraw/zinc/58/26/46/1071582646.db2.gz NCDYPFZUKPLGOB-FGZHOGPDSA-N 0 3 482.652 3.502 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(COc3cccc(C)c3)nnc2N2CCO[C@](C)(C(C)(C)C)C2)CC1 ZINC001313928248 1071583027 /nfs/dbraw/zinc/58/30/27/1071583027.db2.gz SYYLXJGZEDUILL-LXFBAYGMSA-N 0 3 498.716 3.833 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(COc3cccc(C)c3)nnc2N2CCO[C@@](C)(C(C)(C)C)C2)CC1 ZINC001313928250 1071583113 /nfs/dbraw/zinc/58/31/13/1071583113.db2.gz SYYLXJGZEDUILL-QDPGVEIFSA-N 0 3 498.716 3.833 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(COc3cccc(C)c3)nnc2N(C)Cc2ccc(C)o2)CC1 ZINC001313928585 1071584334 /nfs/dbraw/zinc/58/43/34/1071584334.db2.gz UKNKUGPZSVDDAF-NRFANRHFSA-N 0 3 466.630 3.729 20 0 JHADHN CCN(CCc1ccccc1)c1nnc([C@H]2CCCCO2)n1C[C@@H](C)N1CCN(CC)CC1 ZINC001313929175 1071585848 /nfs/dbraw/zinc/58/58/48/1071585848.db2.gz NWDZJNXOHYRVDD-ISKFKSNPSA-N 0 3 454.663 3.615 20 0 JHADHN CCN1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCCN2C[C@H](C)O[C@@H](C)C2)C[C@H]1C ZINC001313941962 1071619137 /nfs/dbraw/zinc/61/91/37/1071619137.db2.gz FRWJCEXUQUAEFV-SGNDLWITSA-N 0 3 484.689 3.504 20 0 JHADHN CCN1CCN([C@H]2CCN(c3nnc(-c4ccccc4C)n3C[C@H](OC)C(C)(C)C)C2)CC1 ZINC001313945688 1071626850 /nfs/dbraw/zinc/62/68/50/1071626850.db2.gz TWHHXBRJSOMZJR-GMAHTHKFSA-N 0 3 454.663 3.531 20 0 JHADHN CCN1CCN([C@H]2CCN(c3nnc(CC(C)(C)C)n3CCCOc3ccc(F)cc3)C2)CC1 ZINC001313946203 1071627863 /nfs/dbraw/zinc/62/78/63/1071627863.db2.gz ACEJDBBUCCKZEF-QFIPXVFZSA-N 0 3 472.653 3.691 20 0 JHADHN CCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@H](c2ccco2)N(C)C)C[C@@H]1C ZINC001313945048 1071625629 /nfs/dbraw/zinc/62/56/29/1071625629.db2.gz GEXNYVOIBKBRDS-GHTZIAJQSA-N 0 3 457.022 3.949 20 0 JHADHN CCN1CCN([C@@H]2CCN(c3nnc(Cc4ccsc4)n3CC(C)(C)C(F)(F)F)C2)CC1 ZINC001313947885 1071633061 /nfs/dbraw/zinc/63/30/61/1071633061.db2.gz DDYFLNXZXLHFLE-GOSISDBHSA-N 0 3 470.609 3.735 20 0 JHADHN CCN1CCN(C[C@H](C)Cn2c(C)nnc2N2CCC(Nc3ccccc3Cl)CC2)CC1 ZINC001313949493 1071636512 /nfs/dbraw/zinc/63/65/12/1071636512.db2.gz JANXFUBAPMLFBH-IBGZPJMESA-N 0 3 460.070 3.594 20 0 JHADHN CCN1CCN(C[C@H](C)Cn2c([C@H](C)Oc3ccc(F)cc3)nnc2N2C[C@H](C)[C@@H](C)C2)CC1 ZINC001313950425 1071638159 /nfs/dbraw/zinc/63/81/59/1071638159.db2.gz PGWOFQXUAWMFNX-CMOCDZPBSA-N 0 3 472.653 3.923 20 0 JHADHN CCN1CCN(C[C@H](C)Cn2c(C)nnc2N2CCC[C@H](c3nc(C(C)C)cs3)C2)CC1 ZINC001313950492 1071638720 /nfs/dbraw/zinc/63/87/20/1071638720.db2.gz PXHZIOFSCDUGLV-FPOVZHCZSA-N 0 3 459.708 3.824 20 0 JHADHN CCN1CCN(C[C@H](C)Cn2c(C3CCC3)nnc2N(C)Cc2ccc(OC)c(F)c2)CC1 ZINC001313952497 1071645814 /nfs/dbraw/zinc/64/58/14/1071645814.db2.gz FMJONOFKSVFCHB-IBGZPJMESA-N 0 3 458.626 3.603 20 0 JHADHN CCN1CCN(C[C@H](C)Cn2c(Cc3ccccc3OC)nnc2N2CC[C@@](C)(CC)C2)CC1 ZINC001313954703 1071652390 /nfs/dbraw/zinc/65/23/90/1071652390.db2.gz CAORXEDJVSZDSA-WXVAWEFUSA-N 0 3 468.690 3.778 20 0 JHADHN CCN1CCN(C[C@H](C)Cn2c(C3CCCC3)nnc2N2CCO[C@@](C)(C(C)(C)C)C2)CC1 ZINC001313954824 1071652904 /nfs/dbraw/zinc/65/29/04/1071652904.db2.gz QCULZOITKOAOTC-HFZDXXHNSA-N 0 3 460.711 3.851 20 0 JHADHN CCN1CCN(C[C@H](C)Cn2c([C@@H]3CCOC3)nnc2N(C)[C@H](C)c2ccc(F)c(F)c2)CC1 ZINC001313955277 1071654998 /nfs/dbraw/zinc/65/49/98/1071654998.db2.gz QXGZVVADKOPXMI-QKNQBKEWSA-N 0 3 476.616 3.531 20 0 JHADHN CCN1CCN(C[C@@H](C)Cn2c(COc3ccc(C)c(C)c3)nnc2N(C)[C@@H]2CCSC2)CC1 ZINC001313956086 1071657587 /nfs/dbraw/zinc/65/75/87/1071657587.db2.gz KGAWKBASUNHLJX-NFBKMPQASA-N 0 3 486.730 3.689 20 0 JHADHN CCN1CCN(CCCn2c(CC(C)(C)C)nnc2N2CC[C@H](c3ccccc3OC)C2)CC1 ZINC001313957353 1071660082 /nfs/dbraw/zinc/66/00/82/1071660082.db2.gz TZRWSYNXJJTCGT-QFIPXVFZSA-N 0 3 468.690 3.897 20 0 JHADHN CCN1CCN(C[C@H](C)Cn2c(CCc3ccc(OC)cc3)nnc2N2CC[C@@H](C)[C@@H](C)C2)CC1 ZINC001313958176 1071663023 /nfs/dbraw/zinc/66/30/23/1071663023.db2.gz VBOMLLPFSHRLLH-VXNXHJTFSA-N 0 3 482.717 3.828 20 0 JHADHN CCN1CCN(C[C@H](C)Cn2c(Cc3c(F)cccc3F)nnc2N2C[C@H](C)[C@@H](C)C2)CC1 ZINC001313957937 1071661815 /nfs/dbraw/zinc/66/18/15/1071661815.db2.gz SKKQYDTUBHQTDX-UFYCRDLUSA-N 0 3 460.617 3.513 20 0 JHADHN CCN1CCN(C[C@H](C)Cn2c(Cc3ccc(F)cc3)nnc2N(C)Cc2cnc(C)s2)CC1 ZINC001313958318 1071663483 /nfs/dbraw/zinc/66/34/83/1071663483.db2.gz VVBXJSGAFSRDLV-IBGZPJMESA-N 0 3 485.677 3.683 20 0 JHADHN CCNC(=O)C1(Cn2c(-c3cccc(Cl)c3)nnc2N2C[C@H](C)N(CC)C[C@@H]2C)CCC1 ZINC001313975340 1071705439 /nfs/dbraw/zinc/70/54/39/1071705439.db2.gz PIMVGFXIMPFKGC-ROUUACIJSA-N 0 3 459.038 3.824 20 0 JHADHN CCNC(=O)c1cccc(Cn2c(Cc3ccsc3)nnc2N2C[C@@H](C)N(CC)C[C@H]2C)c1 ZINC001313984932 1071722748 /nfs/dbraw/zinc/72/27/48/1071722748.db2.gz INVSNOLCCXGDNI-RTBURBONSA-N 0 3 466.655 3.647 20 0 JHADHN CCNC(=O)c1cccc(Cn2c(Cc3ccsc3)nnc2N2C[C@H](C)N(CC)C[C@H]2C)c1 ZINC001313984931 1071722804 /nfs/dbraw/zinc/72/28/04/1071722804.db2.gz INVSNOLCCXGDNI-RBUKOAKNSA-N 0 3 466.655 3.647 20 0 JHADHN CCOC(=O)N(C)C1CCN(c2nnc(C(C)C)n2C[C@H](C)N2CCc3ccccc3C2)CC1 ZINC001314008453 1071744737 /nfs/dbraw/zinc/74/47/37/1071744737.db2.gz MQQZSNKMYLOKTL-FQEVSTJZSA-N 0 3 468.646 3.905 20 0 JHADHN CCOC(=O)N(C)C1CCN(c2nnc(C(C)(C)C)n2CCN(C)Cc2ccccc2)CC1 ZINC001314009406 1071745739 /nfs/dbraw/zinc/74/57/39/1071745739.db2.gz SXTGFXYOTMPEAB-UHFFFAOYSA-N 0 3 456.635 3.765 20 0 JHADHN CCOC(=O)N(C)C1CCN(c2nnc(-c3ccc[nH]3)n2C[C@H](c2ccsc2)N(C)C)CC1 ZINC001314014438 1071753474 /nfs/dbraw/zinc/75/34/74/1071753474.db2.gz QFPXIVWMAOMUCX-HXUWFJFHSA-N 0 3 471.631 3.695 20 0 JHADHN CCOC(=O)N[C@H]1CCCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCN2CCCCC2)C1 ZINC001314032042 1071807831 /nfs/dbraw/zinc/80/78/31/1071807831.db2.gz AHBHQUYBIYQUAR-PMACEKPBSA-N 0 3 488.608 3.758 20 0 JHADHN CCOC(C)(C)Cn1c(-c2nn(C(C)C)c(=O)c3ccccc32)nnc1N1CCN(CC(C)C)CC1 ZINC001314050812 1071872377 /nfs/dbraw/zinc/87/23/77/1071872377.db2.gz SULSSOSCMDKEDT-UHFFFAOYSA-N 0 3 495.672 3.829 20 0 JHADHN CCO[C@@]1(c2nnc(N(C)Cc3ccccc3)n2C[C@@H](c2cccs2)N(C)C)CCOC1 ZINC001314080831 1071942622 /nfs/dbraw/zinc/94/26/22/1071942622.db2.gz GMYHGKCOBMADCQ-RDPSFJRHSA-N 0 3 455.628 3.931 20 0 JHADHN CCO[C@@]1(c2nnc(N(C)CC3CC(F)C3)n2C[C@@H](c2ccc(F)cc2)N(C)C)CCOC1 ZINC001314087683 1071961251 /nfs/dbraw/zinc/96/12/51/1071961251.db2.gz YKNGVLUXJNCQDY-WBEBZIJESA-N 0 3 463.573 3.557 20 0 JHADHN CCO[C@]1(c2nnc(N3C[C@H](C)N(CC)C[C@H]3C)n2CC(C)(C)c2cccs2)CCOC1 ZINC001314093907 1071971868 /nfs/dbraw/zinc/97/18/68/1071971868.db2.gz IAUBMOKNBLLSAF-XLNZFTOWSA-N 0 3 461.676 3.888 20 0 JHADHN CCO[C@]1(c2nnc(N3CCC(OC(C)C)CC3)n2C[C@H](c2ccc(F)cc2)N(C)C)CCOC1 ZINC001314117185 1072017069 /nfs/dbraw/zinc/01/70/69/1072017069.db2.gz QJPBPLMFYXNHFH-ZEQKJWHPSA-N 0 3 489.636 3.766 20 0 JHADHN CCO[C@@]1(c2nnc(N3CCN(C(C)(C)C)CC3)n2CC(C)(C)c2ccc(F)cc2)CCOC1 ZINC001314136225 1072048442 /nfs/dbraw/zinc/04/84/42/1072048442.db2.gz QSIHCPIJWFHHAI-SANMLTNESA-N 0 3 473.637 3.968 20 0 JHADHN CCc1ccc(-c2nnc(N3CC(=O)N(C)C[C@H]3C)n2C[C@@H](c2ccsc2)N(C)C)cc1 ZINC001305925494 1068220701 /nfs/dbraw/zinc/22/07/01/1068220701.db2.gz DKQDARYFCTUERM-UTKZUKDTSA-N 0 3 452.628 3.539 20 0 JHADHN CCc1ccc(-c2nnc(N(C)CCN3CCOCC3)n2C[C@@H](c2ccsc2)N(C)C)cc1 ZINC001305926199 1068222328 /nfs/dbraw/zinc/22/23/28/1068222328.db2.gz PMMLIOSGQVKVMW-QHCPKHFHSA-N 0 3 468.671 3.640 20 0 JHADHN CCc1ccc(-c2nnc(N3C[C@@H](C)N(CC)C[C@@H]3C)n2CCN2CCOC(C)(C)C2)cc1 ZINC001305928611 1068227326 /nfs/dbraw/zinc/22/73/26/1068227326.db2.gz KSYUCUSKYKTPPD-RTWAWAEBSA-N 0 3 454.663 3.537 20 0 JHADHN CCc1ccc(-c2nnc(N3CC[C@@H](N4CCN(C(C)C)CC4)C3)n2CC(F)(F)F)cc1 ZINC001305936293 1068238963 /nfs/dbraw/zinc/23/89/63/1068238963.db2.gz VLDJCRQYPOEVPS-HXUWFJFHSA-N 0 3 450.553 3.675 20 0 JHADHN CCc1ccc(-c2nnc(N3CC[C@H](N4CCN(CC)CC4)C3)n2CCCOC(F)(F)F)cc1 ZINC001305936589 1068239645 /nfs/dbraw/zinc/23/96/45/1068239645.db2.gz YWKCLNAWIIHBEU-NRFANRHFSA-N 0 3 480.579 3.650 20 0 JHADHN CCc1ccc(-c2nnc(N3CCN(C(=O)[C@@H]4CCCN4C)CC3)n2CC(C)(C)C(C)C)cc1 ZINC001305942821 1068254466 /nfs/dbraw/zinc/25/44/66/1068254466.db2.gz IPNUDRQNGQQUOX-QHCPKHFHSA-N 0 3 466.674 3.933 20 0 JHADHN CCc1ccc(-c2nnc(N3CCN(C(C)=O)CC3)n2C[C@@H](c2cccs2)N(C)C)cc1 ZINC001305947629 1068265561 /nfs/dbraw/zinc/26/55/61/1068265561.db2.gz RPKUBEZWGVPVBC-NRFANRHFSA-N 0 3 452.628 3.540 20 0 JHADHN CCc1ccccc1OCc1nnc(N2CCN(C3CCOCC3)C[C@H]2C)n1CCOC(C)C ZINC001305986080 1068337062 /nfs/dbraw/zinc/33/70/62/1068337062.db2.gz NAJILUCWSBKZJP-OAQYLSRUSA-N 0 3 471.646 3.534 20 0 JHADHN CCc1csc([C@@H]2CCCN(c3nnc(C(C)C)n3CCCN3CCC[C@H]3C(=O)N(C)C)C2)n1 ZINC001305998972 1068367820 /nfs/dbraw/zinc/36/78/20/1068367820.db2.gz MYNXBTYTTFBWAU-CTNGQTDRSA-N 0 3 487.718 3.747 20 0 JHADHN CCc1csc([C@@H]2CCCN(c3nnc(CC(C)C)n3C[C@H](C)N3CCN(CC)CC3)C2)n1 ZINC001306001115 1068372669 /nfs/dbraw/zinc/37/26/69/1068372669.db2.gz OKQCAIHWKXEZRB-LEWJYISDSA-N 0 3 473.735 3.906 20 0 JHADHN CCc1nc(C)c(Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCN(CC(C)C)CC2)o1 ZINC001306006787 1068386068 /nfs/dbraw/zinc/38/60/68/1068386068.db2.gz AZBXOVINNRDWJA-UHFFFAOYSA-N 0 3 476.423 3.721 20 0 JHADHN CCc1nc(CN2CCN(c3nnc(CC)n3C[C@@H](c3cccc(F)c3)N(C)C)CC2)cs1 ZINC001306040925 1068453969 /nfs/dbraw/zinc/45/39/69/1068453969.db2.gz KFCYCKNSETYVKD-NRFANRHFSA-N 0 3 471.650 3.624 20 0 JHADHN CCc1nnc(N2CC[C@@H](N3CCN(C(C)C)CC3)C2)n1C[C@@H](F)c1ccc(Br)cc1 ZINC001306142098 1068543438 /nfs/dbraw/zinc/54/34/38/1068543438.db2.gz MBKCLALDKAWIFG-NHCUHLMSSA-N 0 3 493.469 3.919 20 0 JHADHN CCc1nnc(N2CCC(NC(=O)c3ccc(C)s3)CC2)n1CCN(C)Cc1ccccc1 ZINC001306142573 1068544388 /nfs/dbraw/zinc/54/43/88/1068544388.db2.gz VUYHFXNKDJIKOL-UHFFFAOYSA-N 0 3 466.655 3.741 20 0 JHADHN CCc1nnc(N2CCC(NC(=O)OC(C)(C)C)CC2)n1CCCN1CCc2ccccc2C1 ZINC001306143226 1068545440 /nfs/dbraw/zinc/54/54/40/1068545440.db2.gz FPCAPHZBIMVQDQ-UHFFFAOYSA-N 0 3 468.646 3.782 20 0 JHADHN CCc1nnc(N2CCC[C@@H](N(C)C(=O)OC(C)(C)C)C2)n1C[C@@H](c1cccc(OC)c1)N(C)C ZINC001306164715 1068560041 /nfs/dbraw/zinc/56/00/41/1068560041.db2.gz APGYCRALXLCMAT-IRLDBZIGSA-N 0 3 486.661 3.988 20 0 JHADHN CCc1nnc(N2CCC[C@@H](N(C)C(=O)OC(C)(C)C)C2)n1CCN(C)Cc1ccccc1 ZINC001306165483 1068561102 /nfs/dbraw/zinc/56/11/02/1068561102.db2.gz BHAVWNSFTGWWLJ-OAQYLSRUSA-N 0 3 456.635 3.808 20 0 JHADHN CCc1nnc(N2CCN(C3CCOCC3)C[C@H]2C)n1CC(CC)(CC)NC(=O)OC(C)(C)C ZINC001306202565 1068592987 /nfs/dbraw/zinc/59/29/87/1068592987.db2.gz AVNRMUKLXNKWJT-LJQANCHMSA-N 0 3 478.682 3.614 20 0 JHADHN CCc1nnc(N2CCN(CCN(C)Cc3ccccc3)CC2)n1CC1CCC(F)(F)CC1 ZINC001306208978 1068600617 /nfs/dbraw/zinc/60/06/17/1068600617.db2.gz KKMXZBATUWHMDS-UHFFFAOYSA-N 0 3 460.617 3.920 20 0 JHADHN CCc1nsc(N2CCN(c3nnc(C(C)C)n3C[C@@H](c3cccs3)N(C)C)CC2)n1 ZINC001306240514 1068640102 /nfs/dbraw/zinc/64/01/02/1068640102.db2.gz FBXFXIGBMMNXHW-INIZCTEOSA-N 0 3 460.677 3.506 20 0 JHADHN CC[C@H]1C(=O)NCCN1c1nnc(-c2ccccc2Cl)n1C[C@@H](c1ccsc1)N(C)C ZINC001306248750 1068658932 /nfs/dbraw/zinc/65/89/32/1068658932.db2.gz ICWYSDRXJSCCSX-OALUTQOASA-N 0 3 459.019 3.678 20 0 JHADHN CC[C@H]1C(=O)NCCN1c1nnc(COc2cc(C)cc(C)c2)n1C[C@H](c1cccs1)N(C)C ZINC001306256921 1068664005 /nfs/dbraw/zinc/66/40/05/1068664005.db2.gz IXYPZONZCYDQMG-LEWJYISDSA-N 0 3 482.654 3.553 20 0 JHADHN CC[C@H]1C[C@H](C)CN1c1nnc(Cc2ccccc2OC)n1CCN1CCN(C)C(C)(C)C1 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1068844987 /nfs/dbraw/zinc/84/49/87/1068844987.db2.gz WDCZUZPXNJLACI-MQSCRBSSSA-N 0 3 488.652 3.589 20 0 JHADHN CC[C@@H]1CN(c2nnc([C@H](C)OCCOC)n2CC2(N3CCSCC3)CCCC2)CCS1 ZINC001306397128 1068846840 /nfs/dbraw/zinc/84/68/40/1068846840.db2.gz AUEUYLYJUACJJH-VQTJNVASSA-N 0 3 483.748 3.696 20 0 JHADHN CC[C@@H]1CN(c2nnc(COc3ccccc3F)n2C[C@@H](C)CN2CCN(CC)CC2)CCS1 ZINC001306458713 1068991454 /nfs/dbraw/zinc/99/14/54/1068991454.db2.gz QPSSOUGGEQIPIM-LEWJYISDSA-N 0 3 490.693 3.602 20 0 JHADHN CN1CCC[C@H]1C(=O)N1CCN(C(=O)N[C@H](c2ccc(C(C)(C)C)cc2)C(F)(F)F)CC1 ZINC001310579452 1069028230 /nfs/dbraw/zinc/02/82/30/1069028230.db2.gz BCRIBQZYCKMBQG-RBUKOAKNSA-N 0 3 454.537 3.536 20 0 JHADHN COc1ccc([C@H](NC(C)C)C(=O)NCc2cc(OC)c(OC)cc2Br)cc1 ZINC001306491782 1069030416 /nfs/dbraw/zinc/03/04/16/1069030416.db2.gz XWNVGZGPZNOBGA-FQEVSTJZSA-N 0 3 451.361 3.830 20 0 JHADHN CCN1CCN(c2cccc(NC(=O)N3C[C@@H]4CCC[C@@]4(NC(=O)OC(C)(C)C)C3)c2)CC1 ZINC001310596994 1069040480 /nfs/dbraw/zinc/04/04/80/1069040480.db2.gz PIGCMYBVVLLLAH-UQBPGWFLSA-N 0 3 457.619 3.740 20 0 JHADHN CCN1CCN(c2cccc(NC(=O)N3CC4(C3)CCCN(C(=O)OC(C)(C)C)C4)c2)CC1 ZINC001310597958 1069041180 /nfs/dbraw/zinc/04/11/80/1069041180.db2.gz UWCLNAHPJATLOF-UHFFFAOYSA-N 0 3 457.619 3.693 20 0 JHADHN CCN1CCN(c2cccc(NC(=O)N3CCC[C@]34CCN(C(=O)OC(C)(C)C)C4)c2)CC1 ZINC001310598320 1069042065 /nfs/dbraw/zinc/04/20/65/1069042065.db2.gz YDMFTMDUKHQIBY-RUZDIDTESA-N 0 3 457.619 3.836 20 0 JHADHN CCN1CCN(c2cccc(NC(=O)N(Cc3ccc(OC)cc3)[C@H](CO)C(C)C)c2)CC1 ZINC001310598074 1069042288 /nfs/dbraw/zinc/04/22/88/1069042288.db2.gz VQWGBOSZSYYPOU-RUZDIDTESA-N 0 3 454.615 3.888 20 0 JHADHN CN1CCN(CCC(C)(C)NC(=O)Nc2cc(Cl)ccc2OC[C@H]2CCCCO2)CC1 ZINC001310600062 1069044426 /nfs/dbraw/zinc/04/44/26/1069044426.db2.gz FLZDBYUUUMLFDP-LJQANCHMSA-N 0 3 453.027 3.826 20 0 JHADHN CCCC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(C)n3)n2C[C@@H](c2ccc(F)cc2)N(C)C)C1 ZINC001306501642 1069066299 /nfs/dbraw/zinc/06/62/99/1069066299.db2.gz GSYQBFGIVHVGNB-VWNXMTODSA-N 0 3 493.631 3.976 20 0 JHADHN CCCCNS(=O)(=O)c1ccc(C)c(NC(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2)c1 ZINC001310631012 1069071497 /nfs/dbraw/zinc/07/14/97/1069071497.db2.gz DSBOJWGCQCFEIZ-OAQYLSRUSA-N 0 3 458.628 3.812 20 0 JHADHN CCn1ncc(NC(=O)NCCCCN2CCN(c3cccc(C)c3)CC2)c1C(F)(F)F ZINC001310654883 1069088545 /nfs/dbraw/zinc/08/85/45/1069088545.db2.gz IDDGKKJXEJETJH-UHFFFAOYSA-N 0 3 452.525 3.954 20 0 JHADHN CCCC(=O)NC[C@H]1CCCN(c2nnc(-c3cccn3C)n2C[C@H](c2ccsc2)N(C)C)C1 ZINC001306515280 1069117410 /nfs/dbraw/zinc/11/74/10/1069117410.db2.gz DOZQFAOSLXTFLA-DENIHFKCSA-N 0 3 483.686 3.781 20 0 JHADHN CCCC(=O)NC[C@@H]1CCCN(c2nnc(-c3cccn3C)n2C[C@@H](c2ccsc2)N(C)C)C1 ZINC001306515285 1069117486 /nfs/dbraw/zinc/11/74/86/1069117486.db2.gz DOZQFAOSLXTFLA-UGKGYDQZSA-N 0 3 483.686 3.781 20 0 JHADHN CN1CCC(Oc2ccc(Cl)cc2NC(=O)N[C@H]2CCN(Cc3ccccc3)C2=O)CC1 ZINC001310745045 1069147590 /nfs/dbraw/zinc/14/75/90/1069147590.db2.gz DTJZJKATIVZSJJ-FQEVSTJZSA-N 0 3 456.974 3.736 20 0 JHADHN CCC[C@](C)(O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC001306527083 1069157233 /nfs/dbraw/zinc/15/72/33/1069157233.db2.gz CZVLEUWTWCXGGW-RDGATRHJSA-N 0 3 475.081 3.754 20 0 JHADHN CCC[C@@](C)(O)Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1CCN(C2CCCC2)CC1 ZINC001306531689 1069172260 /nfs/dbraw/zinc/17/22/60/1069172260.db2.gz UGOYRENKYJWCGS-RUZDIDTESA-N 0 3 457.619 3.578 20 0 JHADHN CCC[C@@](C)(O)Cn1c(-c2ccc(CC)cc2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC001306531909 1069173045 /nfs/dbraw/zinc/17/30/45/1069173045.db2.gz WSHDZDNTPYNHKB-RPLLCQBOSA-N 0 3 468.690 3.663 20 0 JHADHN CCC[C@@](C)(O)Cn1c(-c2ccccc2Cl)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC001306533950 1069176823 /nfs/dbraw/zinc/17/68/23/1069176823.db2.gz XJNRDBJCPZEUSW-CJFMBICVSA-N 0 3 475.081 3.754 20 0 JHADHN COC(=O)[C@H]1CCc2sc(NC(=O)N(CCN(C)C)Cc3cccc(Cl)c3)nc2C1 ZINC001310902090 1069215397 /nfs/dbraw/zinc/21/53/97/1069215397.db2.gz CSPOFHIXVXFKKQ-HNNXBMFYSA-N 0 3 450.992 3.670 20 0 JHADHN CNC(=O)c1ccc(NC(=O)N(CCN(C)C)Cc2ccc(C(F)(F)F)cc2)c(OC)c1 ZINC001311018913 1069249564 /nfs/dbraw/zinc/24/95/64/1069249564.db2.gz RPVMVHICARWXCS-UHFFFAOYSA-N 0 3 452.477 3.669 20 0 JHADHN COC(=O)C(C)(C)n1cc(NC(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2c2cccc(F)c2)cn1 ZINC001311042517 1069256100 /nfs/dbraw/zinc/25/61/00/1069256100.db2.gz OWQIYFXVOCWOEH-XZOQPEGZSA-N 0 3 479.556 3.720 20 0 JHADHN CC[C@H](C)Oc1cccc(NC(=O)N2CCC[C@@H](CN3CCN(c4ccccn4)CC3)C2)n1 ZINC001311128153 1069279683 /nfs/dbraw/zinc/27/96/83/1069279683.db2.gz RKSKXLNEUBHLCD-SFTDATJTSA-N 0 3 452.603 3.720 20 0 JHADHN COC(=O)c1c(C)sc(C)c1NC(=O)NC1CCN(Cc2ccc(NC(C)=O)cc2)CC1 ZINC001311148878 1069284159 /nfs/dbraw/zinc/28/41/59/1069284159.db2.gz VLOYLRJWOGPTJU-UHFFFAOYSA-N 0 3 458.584 3.896 20 0 JHADHN CCC[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3)n2Cc2cccn(CC)c2=O)CCN1CCOC ZINC001306620506 1069306558 /nfs/dbraw/zinc/30/65/58/1069306558.db2.gz PKFLRWKXKXDAQE-HSZRJFAPSA-N 0 3 499.059 3.766 20 0 JHADHN COC(=O)Cn1ncc2ccc(NC(=O)NC[C@@H](c3cccs3)N3CCC(C)CC3)cc21 ZINC001311249514 1069308016 /nfs/dbraw/zinc/30/80/16/1069308016.db2.gz PEPOJYWTCGLDEV-FQEVSTJZSA-N 0 3 455.584 3.866 20 0 JHADHN CCC[C@@H]1CN(c2nnc(-c3ccc(C)o3)n2Cc2nnc(C(C)(C)C)s2)CCN1CCOC ZINC001306621295 1069309778 /nfs/dbraw/zinc/30/97/78/1069309778.db2.gz XRRRBFCJSLDHBP-GOSISDBHSA-N 0 3 487.674 3.981 20 0 JHADHN CCOC(=O)C1CCN(C2CCN(C(F)(F)Cc3nc(Cl)cc(Cl)n3)CC2)CC1 ZINC001164616337 719030888 /nfs/dbraw/zinc/03/08/88/719030888.db2.gz AZYNOMHKHXMGHO-UHFFFAOYSA-N 0 3 451.345 3.658 20 0 JHADHN CCOC(=O)[C@@]12C[C@@H]1CCN2c1c2c(cnc1Cl)C1(CCN(Cc3ccccc3)CC1)OC2=O ZINC001164619315 719041125 /nfs/dbraw/zinc/04/11/25/719041125.db2.gz CMRUVGACTGIODE-HFJWLAOPSA-N 0 3 481.980 3.929 20 0 JHADHN CSCc1nc2sc3c(c2c(N2CCN4C[C@H](Oc5cncnc5)C[C@@H]4C2)n1)CCCC3 ZINC001164742231 720764365 /nfs/dbraw/zinc/76/43/65/720764365.db2.gz NRMNSHUWLASROT-HZPDHXFCSA-N 0 3 468.652 3.565 20 0 JHADHN CC(C)CN1[C@@H]2CCN(c3ccc(CN4CCCC4)cn3)CC[C@@H]2Oc2ccccc2S1(=O)=O ZINC001164759214 720972121 /nfs/dbraw/zinc/97/21/21/720972121.db2.gz YLCUGPCFELLGQV-PKTZIBPZSA-N 0 3 484.666 3.754 20 0 JHADHN CC(C)N(C)Cc1cnc2n1CCN(c1cc(N3CCN(c4ccccc4F)CC3)ncn1)[C@H]2C ZINC001164862259 721007639 /nfs/dbraw/zinc/00/76/39/721007639.db2.gz PMJGNEXZYHWGEH-FQEVSTJZSA-N 0 3 478.620 3.560 20 0 JHADHN COC(=O)c1ccc(-c2ccc(N3CCN4C[C@H](OCc5cccnc5)C[C@@H]4C3)nc2C)cc1 ZINC001164870227 721135190 /nfs/dbraw/zinc/13/51/90/721135190.db2.gz BXVKJYFWANHTQX-DNQXCXABSA-N 0 3 458.562 3.718 20 0 JHADHN CCN(CC)Cc1nc2sc(C)c(C)c2c(N2C[C@H]3CN(Cc4cnn(C)c4)CC[C@@H]3C2)n1 ZINC001164768729 721201053 /nfs/dbraw/zinc/20/10/53/721201053.db2.gz LQFPCHHNGXQUBH-NHCUHLMSSA-N 0 3 467.687 3.842 20 0 JHADHN COC(=O)c1ccc(-c2ccc(N3CC[C@@]4(C3)CCC[C@@H](CN3CCN(C)CC3)O4)nc2C)cc1 ZINC001164889533 721430961 /nfs/dbraw/zinc/43/09/61/721430961.db2.gz BIDYLAKYMCPWQU-RBJSKKJNSA-N 0 3 478.637 3.609 20 0 JHADHN Cc1c(C)n(Cc2ccccc2)c2ncnc(N3CC[C@]4(C3)CCC[C@H](CN3CCN(C)CC3)O4)c12 ZINC001164899485 721434771 /nfs/dbraw/zinc/43/47/71/721434771.db2.gz YNOWILUDGJNVBB-IRPSRAIASA-N 0 3 488.680 3.862 20 0 JHADHN COC(=O)/C=C/c1ccc(NC(=O)C(C)(C)C)c(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)n1 ZINC001164905199 721546993 /nfs/dbraw/zinc/54/69/93/721546993.db2.gz GKSPFKHATMTHGZ-XGQMCVAFSA-N 0 3 496.583 3.733 20 0 JHADHN Fc1cccc(O[C@H]2C[C@@H]3CN(c4ccc(-c5ccc6c(c5)OCCCO6)nn4)CCN3C2)c1 ZINC001164905897 721558696 /nfs/dbraw/zinc/55/86/96/721558696.db2.gz HXRGBDUUSSXIGD-IRLDBZIGSA-N 0 3 462.525 3.786 20 0 JHADHN COc1ccc(-c2ccc(N3CCN4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)nn2)c(OC)c1 ZINC001164911089 721559205 /nfs/dbraw/zinc/55/92/05/721559205.db2.gz YHRIVFIIUJRBMO-RXVVDRJESA-N 0 3 450.514 3.642 20 0 JHADHN COc1ccc(-c2ccc(N3CCN4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)nn2)c(OC)c1 ZINC001164911082 721559405 /nfs/dbraw/zinc/55/94/05/721559405.db2.gz YHRIVFIIUJRBMO-GHTZIAJQSA-N 0 3 450.514 3.642 20 0 JHADHN COC(=O)c1ccc2ncnc(N3CCC(F)(F)[C@]4(CCN(Cc5ccccn5)C4)C3)c2c1 ZINC001164904118 721587509 /nfs/dbraw/zinc/58/75/09/721587509.db2.gz DFBDQABMHBQZAV-QHCPKHFHSA-N 0 3 453.493 3.549 20 0 JHADHN CCOC(=O)c1cc2ccnc(N3CCC(F)(F)[C@]4(CCN(Cc5ccccn5)C4)C3)c2[nH]1 ZINC001164906211 721699278 /nfs/dbraw/zinc/69/92/78/721699278.db2.gz MCGUMUSWTURUFV-QHCPKHFHSA-N 0 3 455.509 3.872 20 0 JHADHN O=C(c1ccccc1)n1ccc2ccc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)nc21 ZINC001164980344 722136503 /nfs/dbraw/zinc/13/65/03/722136503.db2.gz MZBPAKGOWKNOLR-RPBOFIJWSA-N 0 3 467.573 3.847 20 0 JHADHN CCC[C@@H]1CN(c2nnc(-c3ccc(F)cc3Br)n2C[C@H](C)OC)CCN1CCOC ZINC001306621643 1069311081 /nfs/dbraw/zinc/31/10/81/1069311081.db2.gz DDBYXCHBMTXJBG-FUHWJXTLSA-N 0 3 498.441 3.819 20 0 JHADHN CCC[C@@H]1CN(c2nnc(-c3ccc[nH]3)n2C[C@@H](C)c2nc(C)cs2)CCN1CCOC ZINC001306622563 1069312701 /nfs/dbraw/zinc/31/27/01/1069312701.db2.gz ZZYKRJQFGFUHLB-IEBWSBKVSA-N 0 3 457.648 3.779 20 0 JHADHN COc1ccc([C@@H](CNC(=O)NCCc2ccn(-c3ccc(F)cc3)n2)N2CCCC2)cc1 ZINC001311344952 1069331869 /nfs/dbraw/zinc/33/18/69/1069331869.db2.gz JKYYOPDUGUBTMI-XMMPIXPASA-N 0 3 451.546 3.699 20 0 JHADHN COc1ccc([C@@H](CNC(=O)NC[C@H]2CC(c3ccc(C)c(C)c3)=NO2)N2CCCC2)cc1 ZINC001311348021 1069334336 /nfs/dbraw/zinc/33/43/36/1069334336.db2.gz XUTCTNIKFFEJMY-ILBGXUMGSA-N 0 3 450.583 3.941 20 0 JHADHN CCN1CCN(Cc2ccccc2CNC(=O)NCc2cccc(C)c2Br)CC1 ZINC001311357142 1069341107 /nfs/dbraw/zinc/34/11/07/1069341107.db2.gz CAZHLWLPBUBEPO-UHFFFAOYSA-N 0 3 459.432 3.894 20 0 JHADHN CCN1CCN(Cc2ccc(CNC(=O)N[C@@H]3CCCc4c(cccc4OC)C3)cc2)CC1 ZINC001311358208 1069341808 /nfs/dbraw/zinc/34/18/08/1069341808.db2.gz QHWZJKWUPDVANG-XMMPIXPASA-N 0 3 450.627 3.580 20 0 JHADHN CCN1CCN(Cc2ccccc2CNC(=O)NCC[C@H]2CSc3ccccc3O2)CC1 ZINC001311359205 1069342991 /nfs/dbraw/zinc/34/29/91/1069342991.db2.gz VYFLJFBHRMJAOM-QFIPXVFZSA-N 0 3 454.640 3.567 20 0 JHADHN CCN1CCN(Cc2ccccc2CNC(=O)N[C@H](C)c2cc(OC)c(OC)cc2C)CC1 ZINC001311359210 1069343566 /nfs/dbraw/zinc/34/35/66/1069343566.db2.gz VYMNUDMMZMNBHC-HXUWFJFHSA-N 0 3 454.615 3.710 20 0 JHADHN CCCCCn1c(-c2cc(Br)cn2C)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001306642105 1069353293 /nfs/dbraw/zinc/35/32/93/1069353293.db2.gz VBGZVEJNKQKQOU-UHFFFAOYSA-N 0 3 479.467 3.785 20 0 JHADHN COc1ccc2c(c1)CCN(C(=O)NCCCCN1CCN(c3cccc(C)c3)CC1)CC2 ZINC001311381677 1069354409 /nfs/dbraw/zinc/35/44/09/1069354409.db2.gz SQXUBXQJUUAFBT-UHFFFAOYSA-N 0 3 450.627 3.716 20 0 JHADHN CC[C@@H](CNC(=O)NC[C@@H](c1ccc(C)cc1)N1CCOCC1)N1CCc2ccccc2C1 ZINC001311394382 1069359491 /nfs/dbraw/zinc/35/94/91/1069359491.db2.gz BIWLXSCPRBFAOI-UIOOFZCWSA-N 0 3 450.627 3.504 20 0 JHADHN CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]2CN(C(=O)NCCCN3CCc4ccccc4C3)C[C@@H]21 ZINC001311405485 1069363992 /nfs/dbraw/zinc/36/39/92/1069363992.db2.gz WICIJDLZRLNQIS-RJGXRXQPSA-N 0 3 456.631 3.770 20 0 JHADHN COc1ccc(C2(CNC(=O)NCCCN3CCN(C)C[C@H]3c3ccccc3)CCC2)cc1 ZINC001311421638 1069369069 /nfs/dbraw/zinc/36/90/69/1069369069.db2.gz CSWJIQJYJUFTCL-VWLOTQADSA-N 0 3 450.627 3.795 20 0 JHADHN COc1ccc(C2(CNC(=O)NCCCN3CCN(C)C[C@@H]3c3ccccc3)CCC2)cc1 ZINC001311421636 1069369500 /nfs/dbraw/zinc/36/95/00/1069369500.db2.gz CSWJIQJYJUFTCL-RUZDIDTESA-N 0 3 450.627 3.795 20 0 JHADHN CCCCCn1c(COc2ccccc2CC)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 ZINC001306657034 1069370033 /nfs/dbraw/zinc/37/00/33/1069370033.db2.gz XFIQSKNPRXHPPB-RDGATRHJSA-N 0 3 496.700 3.989 20 0 JHADHN O=C(NCCCN1CCN(Cc2ccccc2)CC1)N[C@H](c1ccccc1)C1CCOCC1 ZINC001311424977 1069373382 /nfs/dbraw/zinc/37/33/82/1069373382.db2.gz VJOVMSDNOWRJPK-AREMUKBSSA-N 0 3 450.627 3.661 20 0 JHADHN COc1ccc(C[C@H](C)CN(C)C(=O)NCCCN2CCN(C)C[C@@H]2c2ccccc2)cc1 ZINC001311424171 1069372498 /nfs/dbraw/zinc/37/24/98/1069372498.db2.gz PYMDNIIPXUPSES-BKMJKUGQSA-N 0 3 452.643 3.894 20 0 JHADHN CN(C(=O)NCCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1)[C@@H]1CCCC[C@H]1O ZINC001311451062 1069384551 /nfs/dbraw/zinc/38/45/51/1069384551.db2.gz CGWFAPJOGWCKKX-NHCUHLMSSA-N 0 3 456.553 3.553 20 0 JHADHN O=C(NCCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1)N1[C@@H]2CC[C@H]1CC(=O)C2 ZINC001311451830 1069384623 /nfs/dbraw/zinc/38/46/23/1069384623.db2.gz JBURTAFDKWXHEA-BGYRXZFFSA-N 0 3 452.521 3.513 20 0 JHADHN CCCCN(C)C(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2CCN2CC=CCC2)CC1 ZINC001306664729 1069389948 /nfs/dbraw/zinc/38/99/48/1069389948.db2.gz LQOHPCYJISAOCC-UHFFFAOYSA-N 0 3 482.648 3.745 20 0 JHADHN CCCCN(C)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 ZINC001306682786 1069414630 /nfs/dbraw/zinc/41/46/30/1069414630.db2.gz NPCPDPOXFDXKKH-VWLOTQADSA-N 0 3 491.702 3.722 20 0 JHADHN CCCCn1c([C@@H](C)Oc2ccccc2F)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC001306700199 1069435604 /nfs/dbraw/zinc/43/56/04/1069435604.db2.gz FSDIDBILANKXQG-RTWAWAEBSA-N 0 3 458.626 3.962 20 0 JHADHN Cc1ccc(NC(=O)NC[C@H]2CCCN(C(=O)NC[C@@H](Cc3ccccc3)N(C)C)C2)cc1 ZINC001311569416 1069442012 /nfs/dbraw/zinc/44/20/12/1069442012.db2.gz WBBGUORCMQRNPC-ISKFKSNPSA-N 0 3 451.615 3.711 20 0 JHADHN CN(C)[C@H](CNC(=O)NCc1ccc(CNC(=O)OC(C)(C)C)cc1F)Cc1ccccc1 ZINC001311566882 1069440755 /nfs/dbraw/zinc/44/07/55/1069440755.db2.gz CEJFKKXFAYBHAP-NRFANRHFSA-N 0 3 458.578 3.823 20 0 JHADHN O=C(NC1CCCC1)OC[C@@H]1CCCCN1C(=O)NCC1(N2CCSCC2)CCCC1 ZINC001311582892 1069450059 /nfs/dbraw/zinc/45/00/59/1069450059.db2.gz DWZGXOBSNSLAES-FQEVSTJZSA-N 0 3 452.665 3.581 20 0 JHADHN CCCN(C(=O)NCC1(N2CCSCC2)CCCC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001311584367 1069450594 /nfs/dbraw/zinc/45/05/94/1069450594.db2.gz PCLPLMCSEKZIPX-LJQANCHMSA-N 0 3 454.681 3.779 20 0 JHADHN C[C@@H]1CN(C(=O)NCC2(N3CCSCC3)CCCC2)CC[C@H]1CNC(=O)OC(C)(C)C ZINC001311583987 1069450644 /nfs/dbraw/zinc/45/06/44/1069450644.db2.gz NWGUYOHLQPBKFF-MOPGFXCFSA-N 0 3 454.681 3.540 20 0 JHADHN CN(C)CCN(CC(=O)N(C)C)C(=O)N[C@@H](c1ccccc1)c1ccc(Cl)c(Cl)c1 ZINC001311620598 1069471592 /nfs/dbraw/zinc/47/15/92/1069471592.db2.gz SUGUGSCUHWHPQH-NRFANRHFSA-N 0 3 451.398 3.744 20 0 JHADHN C[C@H]1CN(Cc2cccc(CNC(=O)N3CC[C@@H](C)N(Cc4ccccc4)CC3)c2)CCO1 ZINC001311664099 1069493504 /nfs/dbraw/zinc/49/35/04/1069493504.db2.gz IAECMVVCDNITDB-PKTZIBPZSA-N 0 3 450.627 3.713 20 0 JHADHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N2CCN([C@@H](CO)c3ccc(Cl)cc3)CC2)C1 ZINC001311711810 1069513870 /nfs/dbraw/zinc/51/38/70/1069513870.db2.gz FQYDSOGEQVPZKN-FOVJLYNBSA-N 0 3 457.018 3.536 20 0 JHADHN CCCCNC(=O)C1CCN(c2nnc(-c3ccccc3Cl)n2CCN2CC=CCC2)CC1 ZINC001306746101 1069530317 /nfs/dbraw/zinc/53/03/17/1069530317.db2.gz XRJMZWKYZAUUIE-UHFFFAOYSA-N 0 3 471.049 3.993 20 0 JHADHN O=C(NCc1cccc(C[NH+]2CCCCCC2)c1)N1CCC[C@@H](C[N-]C(=O)C(F)(F)F)C1 ZINC001311767057 1069538685 /nfs/dbraw/zinc/53/86/85/1069538685.db2.gz XSGIOWBERCKNMY-FQEVSTJZSA-N 0 3 454.537 3.663 20 0 JHADHN COc1cccc(CN(CCN(C)C)C(=O)NCc2ccc(NC(=O)c3ccco3)cc2)c1 ZINC001311782499 1069544296 /nfs/dbraw/zinc/54/42/96/1069544296.db2.gz FEEXQJDCTYQYHH-UHFFFAOYSA-N 0 3 450.539 3.814 20 0 JHADHN CC[C@@H](C)N[C@H](CNC(=O)NCc1cc(OC)c(OC)cc1Br)c1ccco1 ZINC001311858852 1069584529 /nfs/dbraw/zinc/58/45/29/1069584529.db2.gz SRJZGCLTBLUQFC-CZUORRHYSA-N 0 3 454.365 3.988 20 0 JHADHN CN(C)CCN(Cc1ccsc1)C(=O)N[C@@H]1CCN(c2ccc(Br)cc2)C1 ZINC001311884328 1069596199 /nfs/dbraw/zinc/59/61/99/1069596199.db2.gz NCAHXGZHIFZMAZ-GOSISDBHSA-N 0 3 451.434 3.863 20 0 JHADHN CN(C)CCN(Cc1ccsc1)C(=O)N[C@H]1CCN(c2ccc(Br)cc2)C1 ZINC001311884329 1069596342 /nfs/dbraw/zinc/59/63/42/1069596342.db2.gz NCAHXGZHIFZMAZ-SFHVURJKSA-N 0 3 451.434 3.863 20 0 JHADHN COc1ccccc1SC[C@H](C)CNC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC001311917585 1069612133 /nfs/dbraw/zinc/61/21/33/1069612133.db2.gz JYCPZDALPNLCPB-CEMLEFRQSA-N 0 3 457.640 3.606 20 0 JHADHN CC1(C)CN(C2(CNC(=O)NCc3nccn3CCc3ccccc3)CCCCC2)CCO1 ZINC001311933796 1069620022 /nfs/dbraw/zinc/62/00/22/1069620022.db2.gz UQRJWOTWBKTLFB-UHFFFAOYSA-N 0 3 453.631 3.739 20 0 JHADHN CCOc1ccccc1[C@@](N)(C(=O)N1CCN(c2ccnc3ccccc32)CC1)C(F)(F)F ZINC001306841056 1069654349 /nfs/dbraw/zinc/65/43/49/1069654349.db2.gz ORKQSDRQCQLELH-HSZRJFAPSA-N 0 3 458.484 3.699 20 0 JHADHN O=C(NCCC1(O)CCN(c2ccccc2)CC1)N[C@H](CN1CCCCC1)c1ccccc1 ZINC001312012186 1069669662 /nfs/dbraw/zinc/66/96/62/1069669662.db2.gz MZDAKPOUUDMIDS-RUZDIDTESA-N 0 3 450.627 3.934 20 0 JHADHN O=C(Nc1ccc(F)cc1)N[C@H]1CCN(C(=O)N[C@@H](CN2CCCCC2)c2ccccc2)C1 ZINC001312013233 1069670328 /nfs/dbraw/zinc/67/03/28/1069670328.db2.gz SJIRINZDALOHOD-GOTSBHOMSA-N 0 3 453.562 3.958 20 0 JHADHN Cc1cccnc1[C@H](NC(=O)N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1)C(C)C ZINC001312019150 1069674085 /nfs/dbraw/zinc/67/40/85/1069674085.db2.gz ROAGRVYJEGCIMT-ISKFKSNPSA-N 0 3 450.631 3.726 20 0 JHADHN CCOc1ccc(-c2nnc(N3C[C@H](C)N(CC)C[C@@H]3C)n2CC2=CCCOC2)cc1OC ZINC001314169638 1069677356 /nfs/dbraw/zinc/67/73/56/1069677356.db2.gz WJIJKRFKTLSFLX-OALUTQOASA-N 0 3 455.603 3.618 20 0 JHADHN CCCN(CCn1c(C2CCC2)nnc1N1CCC(CN2CCOCC2)CC1)C(=O)OC(C)(C)C ZINC001307009453 1069707507 /nfs/dbraw/zinc/70/75/07/1069707507.db2.gz RWWUAWDTYMXFDH-UHFFFAOYSA-N 0 3 490.693 3.741 20 0 JHADHN CN(C)CCN(Cc1ccsc1)C(=O)NCCOc1ncc(C(F)(F)F)cc1Cl ZINC001312075691 1069708395 /nfs/dbraw/zinc/70/83/95/1069708395.db2.gz IFORYSVFRAKRSD-UHFFFAOYSA-N 0 3 450.914 3.968 20 0 JHADHN C[C@H](CCN1CCN(C)CC1)NC(=O)NCC1(c2ccc(Br)cc2)CCCC1 ZINC001312080968 1069710886 /nfs/dbraw/zinc/71/08/86/1069710886.db2.gz HZYJFLCZRXHIPX-GOSISDBHSA-N 0 3 451.453 3.586 20 0 JHADHN O=C(NC[C@@H]1CCN1C1CCOCC1)NCC1(c2ccc(Br)cc2)CCCC1 ZINC001312080966 1069711131 /nfs/dbraw/zinc/71/11/31/1069711131.db2.gz HVMLITNHKOXVMO-FQEVSTJZSA-N 0 3 450.421 3.813 20 0 JHADHN CCOc1ccc(-c2nnc(N3CCN(CC(C)C)CC3)n2CC2(C)CCOCC2)cc1OC ZINC001314178596 1069716223 /nfs/dbraw/zinc/71/62/23/1069716223.db2.gz ZKGWWNUWELXKEI-UHFFFAOYSA-N 0 3 471.646 3.947 20 0 JHADHN CCCN1CCC(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2ccccc2SC)CC1 ZINC001307040868 1069768374 /nfs/dbraw/zinc/76/83/74/1069768374.db2.gz AFRBPOMLKWVUNL-OAQYLSRUSA-N 0 3 491.727 3.661 20 0 JHADHN CCOc1ccc(O[C@@H](C)c2nnc(N3CCN(C(C)(C)C)CC3)n2CCC(C)(C)O)cc1 ZINC001314195638 1069770815 /nfs/dbraw/zinc/77/08/15/1069770815.db2.gz DSLYOLUDCLJPNW-IBGZPJMESA-N 0 3 459.635 3.898 20 0 JHADHN CCOc1ccc(O[C@@H](C)c2nnc(N3CCN(C4CCCCC4)CC3)n2CC(=O)N(C)CC)cc1 ZINC001314195712 1069771816 /nfs/dbraw/zinc/77/18/16/1069771816.db2.gz FROVRUHVKHFLJP-NRFANRHFSA-N 0 3 498.672 3.750 20 0 JHADHN C[C@H](NC(=O)NCc1nnc2c(Cl)cc(C(F)(F)F)cn12)[C@@H](c1ccccc1)N(C)C ZINC001312207094 1069782039 /nfs/dbraw/zinc/78/20/39/1069782039.db2.gz CVZBSUVPMXZDJP-SJCJKPOMSA-N 0 3 454.884 3.892 20 0 JHADHN CCN(CCO)CCNC(=O)N[C@@H](C)c1sc(-c2ccccc2Br)nc1C ZINC001312246545 1069806367 /nfs/dbraw/zinc/80/63/67/1069806367.db2.gz IFDVUWPJYLTIME-AWEZNQCLSA-N 0 3 455.422 3.555 20 0 JHADHN CCOC(=O)c1sc([C@@H]2CCN(C(=O)N[C@H]3C[C@H](C)N(Cc4ccccc4)C3)C2)nc1C ZINC001312256353 1069814089 /nfs/dbraw/zinc/81/40/89/1069814089.db2.gz VJRBBWOBCPUZPU-DBVUQKKJSA-N 0 3 456.612 3.790 20 0 JHADHN CCOc1cccc(CCn2c([C@H]3OCC[C@H]3COC)nnc2N2C[C@@H](C)N(CC)C[C@@H]2C)c1 ZINC001314206430 1069817665 /nfs/dbraw/zinc/81/76/65/1069817665.db2.gz JSOMHWRNWQXSJG-RDCABSMISA-N 0 3 471.646 3.562 20 0 JHADHN CCOc1ccccc1Cn1c(C(=O)NC(CC)CC)nnc1N1CCN(C2CCCC2)CC1 ZINC001314214121 1069843102 /nfs/dbraw/zinc/84/31/02/1069843102.db2.gz RBIJVHLBMGCTDX-UHFFFAOYSA-N 0 3 468.646 3.708 20 0 JHADHN CCOc1ccccc1OCc1nnc(N2CCC(F)(F)CC2)n1C[C@@H](C)N1CCN(CC)CC1 ZINC001314221454 1069872026 /nfs/dbraw/zinc/87/20/26/1069872026.db2.gz YRTVNSKQJRQEMK-HXUWFJFHSA-N 0 3 492.615 3.517 20 0 JHADHN CCOc1ccccc1OCc1nnc(N2CCN(CC(C)C)CC2)n1Cc1nc(C)cs1 ZINC001314226832 1069898647 /nfs/dbraw/zinc/89/86/47/1069898647.db2.gz XDDKVXGWXJWYCD-UHFFFAOYSA-N 0 3 470.643 3.847 20 0 JHADHN CN(C(=O)N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001312440967 1069939001 /nfs/dbraw/zinc/93/90/01/1069939001.db2.gz BIELRHDHHXRWSG-SIKLNZKXSA-N 0 3 458.965 3.890 20 0 JHADHN CCO[C@@H]1C[C@@H](N(C)c2nnc(-c3ccc(OC)cc3)n2C[C@H](C)N2CCN(CC)CC2)C1(C)C ZINC001314242618 1069948762 /nfs/dbraw/zinc/94/87/62/1069948762.db2.gz HZUHXQYUOVTDOZ-TUACAJSNSA-N 0 3 484.689 3.620 20 0 JHADHN CCO[C@@H]1C[C@H](N(C)c2nnc(-c3ccc(OC)cc3)n2C[C@@H](C)N2CCN(CC)CC2)C1(C)C ZINC001314242616 1069948800 /nfs/dbraw/zinc/94/88/00/1069948800.db2.gz HZUHXQYUOVTDOZ-FGCOXFRFSA-N 0 3 484.689 3.620 20 0 JHADHN C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N1C[C@]2(C)CN(C(=O)OC(C)(C)C)C[C@]2(C)C1 ZINC001312456363 1069950335 /nfs/dbraw/zinc/95/03/35/1069950335.db2.gz OMNLIKKXMIRMNV-JBEHBBEPSA-N 0 3 456.631 3.795 20 0 JHADHN CCO[C@H]1C[C@H](N(C)c2nnc(-c3ccc(C)o3)n2CCN2CCN(C)C(C)(C)C2)C1(C)C ZINC001314246635 1069963682 /nfs/dbraw/zinc/96/36/82/1069963682.db2.gz VMIMYVKKIUZGOF-SFTDATJTSA-N 0 3 458.651 3.512 20 0 JHADHN CN(C)CCN(Cc1ccc(Br)cc1)C(=O)N[C@H]1COc2cc(F)cc(F)c21 ZINC001312485389 1069965114 /nfs/dbraw/zinc/96/51/14/1069965114.db2.gz KJTSSCHJCZDGPY-KRWDZBQOSA-N 0 3 454.315 3.934 20 0 JHADHN C[C@@H](NC(=O)NC1(Cc2ccc(F)cc2Br)CCOCC1)C1=CCN(C)CC1 ZINC001312481839 1069962104 /nfs/dbraw/zinc/96/21/04/1069962104.db2.gz RXDRYNSIOZFAPZ-OAHLLOKOSA-N 0 3 454.384 3.630 20 0 JHADHN O=C(N[C@@H]1CCN(c2ccccc2C(F)(F)F)C1=O)N1CCN(CC2CCCCC2)CC1 ZINC001312518533 1069986271 /nfs/dbraw/zinc/98/62/71/1069986271.db2.gz JAKPHZREGCCZKZ-LJQANCHMSA-N 0 3 452.521 3.718 20 0 JHADHN CCO[C@@H]1C[C@H](N(C)c2nnc(-c3cnccn3)n2C[C@@H](c2cccc(F)c2)N(C)C)C1(C)C ZINC001314255986 1069990660 /nfs/dbraw/zinc/99/06/60/1069990660.db2.gz JRMHCMWLFHHYOL-FDFHNCONSA-N 0 3 467.593 3.817 20 0 JHADHN CCO[C@@H]1C[C@H](N(C)c2nnc(C3CCCC3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)C1(C)C ZINC001314256044 1069991467 /nfs/dbraw/zinc/99/14/67/1069991467.db2.gz WWNSESFSUZKBPX-BHIFYINESA-N 0 3 474.694 3.518 20 0 JHADHN CCN(CC)CC(=O)N1CCN([C@H](C)C(=O)Nc2ccccc2Sc2ccccc2)CC1 ZINC001307460451 1069997700 /nfs/dbraw/zinc/99/77/00/1069997700.db2.gz OKRDPWXLUZCCSH-HXUWFJFHSA-N 0 3 454.640 3.651 20 0 JHADHN O=C(CN1CCC[C@@]2(CC=CCC2)C1)NCCN1C(=O)S/C(=C/c2ccccc2F)C1=O ZINC001307469234 1070003141 /nfs/dbraw/zinc/00/31/41/1070003141.db2.gz HRTZNCNMXGQIDZ-ATOQVSERSA-N 0 3 457.571 3.801 20 0 JHADHN CCOCC(C)(C)Cn1c(Cc2ccc(F)cc2)nnc1N1CCN(C2CCOCC2)C[C@H]1C ZINC001314286077 1070059150 /nfs/dbraw/zinc/05/91/50/1070059150.db2.gz UJSUFUSJMDLMQN-HXUWFJFHSA-N 0 3 473.637 3.760 20 0 JHADHN CC(C)Oc1ccc(CCNC(=O)CN2C[C@@H]3CCC[C@H](NC(=O)OC(C)(C)C)[C@H]3C2)cc1 ZINC001307602011 1070075676 /nfs/dbraw/zinc/07/56/76/1070075676.db2.gz HEUQZZAUAQCHIU-PMVMPFDFSA-N 0 3 459.631 3.758 20 0 JHADHN C[C@@H]1CN(CC(=O)Nc2ccc(S(=O)(=O)N(C)Cc3ccccc3)cc2)[C@H]2CCCC[C@@H]12 ZINC001307604893 1070078174 /nfs/dbraw/zinc/07/81/74/1070078174.db2.gz VOMOTJRJMIKGBI-YGOYIFOWSA-N 0 3 455.624 3.956 20 0 JHADHN CNS(=O)(=O)c1cc(NC(=O)CN[C@@H](c2ccc(C(F)(F)F)cc2)C(C)C)ccc1C ZINC001307611285 1070080810 /nfs/dbraw/zinc/08/08/10/1070080810.db2.gz MTPDRABYRLVBHK-HXUWFJFHSA-N 0 3 457.518 3.847 20 0 JHADHN CCOCc1nnc(N2C[C@@H](C)N(CC)C[C@@H]2C)n1Cc1ccnc(OC2CCCCC2)c1 ZINC001314320335 1070104755 /nfs/dbraw/zinc/10/47/55/1070104755.db2.gz CKKUJDHMFRGOJG-UXHICEINSA-N 0 3 456.635 3.888 20 0 JHADHN COC(=O)c1cn([C@H]2CCN(Cc3sc(-c4ccc(C(F)(F)F)cc4)nc3C)C2)nn1 ZINC001307658765 1070107263 /nfs/dbraw/zinc/10/72/63/1070107263.db2.gz DTLNAHUPZAETFG-HNNXBMFYSA-N 0 3 451.474 3.962 20 0 JHADHN CC(C)[C@@](C)(NCC(=O)Nc1ccc(S(C)(=O)=O)cc1)c1ccc(Br)cc1 ZINC001307681862 1070122938 /nfs/dbraw/zinc/12/29/38/1070122938.db2.gz AXOMDMXVDXGXGH-HXUWFJFHSA-N 0 3 453.402 3.952 20 0 JHADHN CC(C)[C@](C)(NCC(=O)Nc1ccc(S(C)(=O)=O)cc1)c1ccc(Br)cc1 ZINC001307681861 1070122954 /nfs/dbraw/zinc/12/29/54/1070122954.db2.gz AXOMDMXVDXGXGH-FQEVSTJZSA-N 0 3 453.402 3.952 20 0 JHADHN C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC001312798028 1070127500 /nfs/dbraw/zinc/12/75/00/1070127500.db2.gz PUMPRFYERXIWLH-QGZVFWFLSA-N 0 3 458.990 3.926 20 0 JHADHN C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)N1CCC(C(=O)Nc2cc(Cl)ccc2[O-])CC1 ZINC001312798028 1070127506 /nfs/dbraw/zinc/12/75/06/1070127506.db2.gz PUMPRFYERXIWLH-QGZVFWFLSA-N 0 3 458.990 3.926 20 0 JHADHN COc1cc(OC)cc(N2CCCN(C(=O)N[C@H]3CCN(Cc4ccccc4)[C@@H]3C)CC2)c1 ZINC001312815066 1070138800 /nfs/dbraw/zinc/13/88/00/1070138800.db2.gz KHBHHSHRLMDMBM-NLFFAJNJSA-N 0 3 452.599 3.589 20 0 JHADHN O=C(NC[C@H](OCc1ccccc1)c1ccc(Cl)cc1)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC001312824036 1070143853 /nfs/dbraw/zinc/14/38/53/1070143853.db2.gz RDGLJJOQIKNFSW-SMIHKQSGSA-N 0 3 458.002 3.839 20 0 JHADHN COC(=O)[C@@H]1C[C@@H]2[C@@H](CC[C@@H](C)N2CCC(=O)Nc2ccc(OCc3ccccc3)cc2)O1 ZINC001307719920 1070145166 /nfs/dbraw/zinc/14/51/66/1070145166.db2.gz QVBSFTDWGSBXOS-WJXFIBLPSA-N 0 3 452.551 3.778 20 0 JHADHN CN(C)CCN(CCc1ccccc1)C(=O)N[C@@H]1CC[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1 ZINC001312841318 1070150424 /nfs/dbraw/zinc/15/04/24/1070150424.db2.gz OJVYMUBBVMPUQY-XPWALMASSA-N 0 3 458.647 3.838 20 0 JHADHN CN(CCNC(=O)C1CCN(C(=O)N[C@H]2C[C@@H](OC(C)(C)C)C2(C)C)CC1)Cc1ccccc1 ZINC001312851179 1070155271 /nfs/dbraw/zinc/15/52/71/1070155271.db2.gz YIGTYUSKSWMULW-XZOQPEGZSA-N 0 3 472.674 3.638 20 0 JHADHN Cc1ccc(CNC(=O)NCC2(NC(=O)OC(C)(C)C)CCN(Cc3ccccc3)CC2)o1 ZINC001312851632 1070155952 /nfs/dbraw/zinc/15/59/52/1070155952.db2.gz TYFKABQSTJEJPL-UHFFFAOYSA-N 0 3 456.587 3.947 20 0 JHADHN CC(C)c1ccc(CN2CCN(C(=O)CNC3(c4ccc(F)cc4)CCOCC3)CC2)cc1 ZINC001307735249 1070157899 /nfs/dbraw/zinc/15/78/99/1070157899.db2.gz DRXZMIZPSXPVOG-UHFFFAOYSA-N 0 3 453.602 3.889 20 0 JHADHN CC1(C)[C@H](NCC(=O)Nc2ccccc2S(=O)(=O)C(F)F)C[C@H]1OCc1ccccc1 ZINC001307777055 1070179599 /nfs/dbraw/zinc/17/95/99/1070179599.db2.gz DIXAKBYYEAYVOS-RTBURBONSA-N 0 3 452.523 3.595 20 0 JHADHN C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)NCC2CCN(Cc3ccncc3)CC2)C1 ZINC001312971701 1070204335 /nfs/dbraw/zinc/20/43/35/1070204335.db2.gz AZSROJNIQTWHOI-KNQAVFIVSA-N 0 3 459.635 3.628 20 0 JHADHN CC(C)(C)OC(=O)N1CC[C@@H](NCC(=O)NCCc2ccc(OC(F)(F)F)cc2)C1(C)C ZINC001307843631 1070209088 /nfs/dbraw/zinc/20/90/88/1070209088.db2.gz HVRCPEFTNZYJLH-QGZVFWFLSA-N 0 3 459.509 3.622 20 0 JHADHN CCOCc1nnc(N2CCCN(c3ncccc3F)CC2)n1C[C@@H](c1ccc(C)cc1)N(C)C ZINC001314375092 1070213921 /nfs/dbraw/zinc/21/39/21/1070213921.db2.gz PBDVNOHOIXMNGN-QHCPKHFHSA-N 0 3 481.620 3.677 20 0 JHADHN CC(C)(C)OC(=O)[C@@H]1CN([C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@]2(C)O)C[C@H]1c1ccccc1 ZINC001307877098 1070219914 /nfs/dbraw/zinc/21/99/14/1070219914.db2.gz LBQACARRKDYYDS-GQNXPXPTSA-N 0 3 460.615 3.804 20 0 JHADHN CNC(=O)c1cc(O[C@@H]2CCCN(CCC(=O)Nc3cc(Cl)ccc3Cl)C2)ccn1 ZINC001307891812 1070227700 /nfs/dbraw/zinc/22/77/00/1070227700.db2.gz XFTWPDCBIUTKSE-MRXNPFEDSA-N 0 3 451.354 3.620 20 0 JHADHN CCOCc1nnc(N2CCN(C3CCCC3)CC2)n1Cc1cc(Cl)c(OCC)c(OC)c1 ZINC001314390055 1070243150 /nfs/dbraw/zinc/24/31/50/1070243150.db2.gz HYOBPGUKUXAFRK-UHFFFAOYSA-N 0 3 478.037 3.988 20 0 JHADHN COc1ccc([C@@H]2CCN(C(=O)OC(C)(C)C)C[C@@H]2N[C@@H]2C[C@H]3CCCC[C@H]3NC2=O)cc1 ZINC001307919128 1070241091 /nfs/dbraw/zinc/24/10/91/1070241091.db2.gz PCNZQHGFKSYNQT-FHGIMWBPSA-N 0 3 457.615 3.825 20 0 JHADHN CCOCc1nnc(N2CCN(C3CCCC3)CC2)n1C[C@H]1[C@@H](C)CCN1C(=O)OC(C)(C)C ZINC001314390644 1070244094 /nfs/dbraw/zinc/24/40/94/1070244094.db2.gz MXZWEKYBPIJSFP-FPOVZHCZSA-N 0 3 476.666 3.525 20 0 JHADHN CCOCc1nnc(N2CCO[C@](C)(CC)C2)n1C[C@H](c1ccccc1OC)N1CCCC1 ZINC001314403538 1070265625 /nfs/dbraw/zinc/26/56/25/1070265625.db2.gz VEAVVBLLYPUSEY-PXDATVDWSA-N 0 3 457.619 3.666 20 0 JHADHN CCOc1cc(NC2CCN(C(=O)NC[C@H]3CCCCN3Cc3ccccc3)CC2)ncn1 ZINC001313169194 1070277892 /nfs/dbraw/zinc/27/78/92/1070277892.db2.gz ZOLKZCLSUPHSOT-JOCHJYFZSA-N 0 3 452.603 3.516 20 0 JHADHN CC(C)(C)OC(=O)NC[C@H]1CCCCN1C[C@@H]1C[C@@]2(CCN(C(=O)OC(C)(C)C)C2)CO1 ZINC001308030894 1070286542 /nfs/dbraw/zinc/28/65/42/1070286542.db2.gz MFHQMYQVEVIEFZ-YDIMBITNSA-N 0 3 453.624 3.782 20 0 JHADHN CN(C[C@H]1CCCCN1C[C@@H]1CCC2(CN(C(=O)OC(C)(C)C)C2)O1)C(=O)OC(C)(C)C ZINC001308040164 1070289114 /nfs/dbraw/zinc/28/91/14/1070289114.db2.gz ULCDPTKUHPMUQO-MOPGFXCFSA-N 0 3 453.624 3.876 20 0 JHADHN CCOC[C@H]1CCCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCN2CCC[C@@H]2C)C1 ZINC001314420767 1070292153 /nfs/dbraw/zinc/29/21/53/1070292153.db2.gz WOOBIBWYJDUGOK-FPOVZHCZSA-N 0 3 489.064 3.599 20 0 JHADHN CCOC[C@H]1CCCN(c2nnc(-c3cccnc3)n2CCN(C)Cc2ccc(F)cc2)C1 ZINC001314423671 1070298537 /nfs/dbraw/zinc/29/85/37/1070298537.db2.gz ZPBMOQROWOUKTD-NRFANRHFSA-N 0 3 452.578 3.864 20 0 JHADHN COc1ccc(CN2CCCN(C(=O)CN[C@@H](C)c3cc(Cl)cc4c3OCC4)CC2)cc1 ZINC001308103133 1070311994 /nfs/dbraw/zinc/31/19/94/1070311994.db2.gz DLIKPRBNBAPNBM-SFHVURJKSA-N 0 3 458.002 3.669 20 0 JHADHN CN1C(=O)C[C@H](NC[C@H]2CC3(CO2)CCN(C(=O)OC(C)(C)C)CC3)[C@H]1c1ccc(F)c(F)c1 ZINC001308083545 1070307759 /nfs/dbraw/zinc/30/77/59/1070307759.db2.gz JHDNNBWEIJGUOX-PIPMEXSNSA-N 0 3 479.568 3.632 20 0 JHADHN Cc1nn(-c2ccccc2)c(C)c1NC(=O)CN[C@]12CCC[C@H]1N(C(=O)OC(C)(C)C)CC2 ZINC001308178215 1070337758 /nfs/dbraw/zinc/33/77/58/1070337758.db2.gz QZSKQKVJPZBGOO-NLFFAJNJSA-N 0 3 453.587 3.949 20 0 JHADHN COc1ccc(CNC2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)c(Br)c1 ZINC001308191826 1070339154 /nfs/dbraw/zinc/33/91/54/1070339154.db2.gz MAMXNSYWGMOTOZ-UHFFFAOYSA-N 0 3 453.402 3.709 20 0 JHADHN O=S(=O)(NCCNCc1ccc(Br)c2cccnc12)c1cccc(Cl)c1 ZINC001308227872 1070343270 /nfs/dbraw/zinc/34/32/70/1070343270.db2.gz TYWCQONWBXKMCI-UHFFFAOYSA-N 0 3 454.777 3.719 20 0 JHADHN CCOC(=O)COc1ccc(CCNCc2ccc(F)cc2I)cc1 ZINC001308289408 1070352099 /nfs/dbraw/zinc/35/20/99/1070352099.db2.gz SCTBRCYUYSGFPK-UHFFFAOYSA-N 0 3 457.283 3.705 20 0 JHADHN COc1ccc(-c2nn(Cc3ccccc3)cc2CNCC(C)(C)S(C)(=O)=O)cc1OC ZINC001308289890 1070352896 /nfs/dbraw/zinc/35/28/96/1070352896.db2.gz DZARGKUEUXBNQO-UHFFFAOYSA-N 0 3 457.596 3.528 20 0 JHADHN O=C(Nc1ccccc1)N1CC[C@H](NCc2ccc(Br)cc2N2CCOCC2)C1 ZINC001308382418 1070365503 /nfs/dbraw/zinc/36/55/03/1070365503.db2.gz ISXCEEOGAVTBQX-FQEVSTJZSA-N 0 3 459.388 3.682 20 0 JHADHN Fc1cccc(CNCCCCn2cc(Br)cn2)c1I ZINC001308389514 1070366707 /nfs/dbraw/zinc/36/67/07/1070366707.db2.gz CTVUIZWMFLKYFS-UHFFFAOYSA-N 0 3 452.109 3.959 20 0 JHADHN CCCN1CCC[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCCC[C@@H](C)C1 ZINC001313447410 1070367161 /nfs/dbraw/zinc/36/71/61/1070367161.db2.gz JIQQVJBMHVPRRY-CTNGQTDRSA-N 0 3 459.660 3.849 20 0 JHADHN CCOCCN(CC)c1nnc([C@H]2CCCCO2)n1CC1(N2CCSCC2)CCCC1 ZINC001314475061 1070385834 /nfs/dbraw/zinc/38/58/34/1070385834.db2.gz MWTQLDHGSCNOOT-HXUWFJFHSA-N 0 3 451.681 3.744 20 0 JHADHN COc1cc(CN(C)C[C@H](O)COc2ccccc2C(F)(F)F)ccc1OC(=O)C1CC1 ZINC001308576712 1070393100 /nfs/dbraw/zinc/39/31/00/1070393100.db2.gz ALFRQGDTOLZGED-KRWDZBQOSA-N 0 3 453.457 3.901 20 0 JHADHN COC(=O)c1[nH]c2ccccc2c1CN(C[C@H](O)COc1ccc(NC(C)=O)cc1)C(C)C ZINC001308586916 1070395230 /nfs/dbraw/zinc/39/52/30/1070395230.db2.gz PAWHQMHPDNRCRY-IBGZPJMESA-N 0 3 453.539 3.563 20 0 JHADHN COc1ccc(NC(=O)C2(NCc3ccc(C(=O)N4CCCC4)cc3)CCCC2)cc1OC ZINC001308701796 1070421987 /nfs/dbraw/zinc/42/19/87/1070421987.db2.gz PCYWHDTVQUBMEA-UHFFFAOYSA-N 0 3 451.567 3.981 20 0 JHADHN CCCNC(=O)[C@H]1CCCN(c2nnc([C@@H](C)Oc3ccccc3F)n2CCN2CCCCC2)C1 ZINC001313462629 1070422458 /nfs/dbraw/zinc/42/24/58/1070422458.db2.gz ZVUQSDLOEMMIKI-RTWAWAEBSA-N 0 3 486.636 3.786 20 0 JHADHN COC(=O)c1ccc(CNC2CCN(C(=O)c3cc(Cl)c[nH]3)CC2)c(Br)c1 ZINC001308751767 1070430902 /nfs/dbraw/zinc/43/09/02/1070430902.db2.gz MGCYETYBBNCUQD-UHFFFAOYSA-N 0 3 454.752 3.612 20 0 JHADHN CN(C(=O)c1ccc(NCc2cn(-c3ccc(F)c(Cl)c3)nn2)cc1)[C@H]1CCCN(C)C1 ZINC001308760093 1070432855 /nfs/dbraw/zinc/43/28/55/1070432855.db2.gz GCYSCRZVROYHLQ-FQEVSTJZSA-N 0 3 456.953 3.838 20 0 JHADHN CCCNC(=O)C1CCN(c2nnc(C(C)(C)C)n2CCCN2CCN(c3ccccc3)CC2)CC1 ZINC001313467517 1070443891 /nfs/dbraw/zinc/44/38/91/1070443891.db2.gz CSGBMQSPLREROW-UHFFFAOYSA-N 0 3 495.716 3.531 20 0 JHADHN COCO[C@H](C)c1cc(F)c(CN2CCC[C@@H](N3CCOCC3)CC2)cc1Br ZINC001308841838 1070445878 /nfs/dbraw/zinc/44/58/78/1070445878.db2.gz VGVNSSLUMJUVLQ-SJLPKXTDSA-N 0 3 459.400 3.956 20 0 JHADHN CCCNC(=O)C1CCN(c2nnc(-c3ccc(C)o3)n2C[C@@H](c2ccsc2)N(C)C)CC1 ZINC001313468391 1070447476 /nfs/dbraw/zinc/44/74/76/1070447476.db2.gz KFGVPLMIVBDSKA-FQEVSTJZSA-N 0 3 470.643 3.954 20 0 JHADHN Cc1nn(CC(=O)OC(C)C)c(C)c1CN[C@H]1Cc2ccccc2N(C(=O)OC(C)(C)C)C1 ZINC001308847712 1070447629 /nfs/dbraw/zinc/44/76/29/1070447629.db2.gz FOEQRCDCZBADGC-FQEVSTJZSA-N 0 3 456.587 3.908 20 0 JHADHN CCN(C)Cc1cc(O[C@H]2CCN(Cc3ccc(I)s3)C2)ccn1 ZINC001308875688 1070453310 /nfs/dbraw/zinc/45/33/10/1070453310.db2.gz GATUQKYLASYYGT-INIZCTEOSA-N 0 3 457.381 3.853 20 0 JHADHN CCS(=O)(=O)C1CCN(c2nnc(-c3ccccc3C)n2C[C@H](C)N2CCC[C@H](C)C2)CC1 ZINC001314508872 1070460356 /nfs/dbraw/zinc/46/03/56/1070460356.db2.gz JSVJKQFPSHKYPC-FPOVZHCZSA-N 0 3 473.687 3.777 20 0 JHADHN Cn1cc([C@@H]2C[C@H](C(=O)OC(C)(C)C)CN(CC(C)(C)CNC(=O)OC(C)(C)C)C2)cn1 ZINC001308907391 1070457380 /nfs/dbraw/zinc/45/73/80/1070457380.db2.gz WLMWEGAZHROKTN-MSOLQXFVSA-N 0 3 450.624 3.718 20 0 JHADHN CCS(=O)(=O)C1CCN(c2nnc(Cc3ccc(F)cc3)n2C[C@H](C(C)C)N2CCCC2)CC1 ZINC001314509179 1070462229 /nfs/dbraw/zinc/46/22/29/1070462229.db2.gz GJHIWVNSOFVUFI-HSZRJFAPSA-N 0 3 491.677 3.532 20 0 JHADHN CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(-c2cccc3cccnc32)n1C[C@H]1CCCN(C(C)C)C1 ZINC001314515274 1070485477 /nfs/dbraw/zinc/48/54/77/1070485477.db2.gz FHPDINHXSDDENM-RTWAWAEBSA-N 0 3 498.697 3.873 20 0 JHADHN CCS(=O)(=O)C[C@H](C)N(C)c1nnc(-c2c[nH]c3ccccc23)n1C[C@H]1CCCN(C(C)C)C1 ZINC001314519056 1070500459 /nfs/dbraw/zinc/50/04/59/1070500459.db2.gz NNMPCXCRYYPYLX-PMACEKPBSA-N 0 3 486.686 3.806 20 0 JHADHN CCN1CCN(Cc2ccc(CNS(=O)(=O)c3ccc(C(F)(F)F)c(C)c3)cc2)CC1 ZINC001309057891 1070512710 /nfs/dbraw/zinc/51/27/10/1070512710.db2.gz KFALIJDSAAACJU-UHFFFAOYSA-N 0 3 455.546 3.630 20 0 JHADHN CCS(=O)(=O)CCN(C)c1nnc(-c2ccc(Cl)cc2F)n1CCCN1CCC(C)CC1 ZINC001314523000 1070512900 /nfs/dbraw/zinc/51/29/00/1070512900.db2.gz QTUBLONOEHWGBJ-UHFFFAOYSA-N 0 3 486.057 3.731 20 0 JHADHN CCS(=O)(=O)CCN(C)c1nnc(Cc2ccc(Cl)cc2)n1C[C@@]1(N(C)C)CCC[C@H](C)C1 ZINC001314526697 1070517869 /nfs/dbraw/zinc/51/78/69/1070517869.db2.gz GXLXSWLLWZHNQU-YADARESESA-N 0 3 496.121 3.904 20 0 JHADHN CCS(=O)(=O)CCn1c(Cc2ccc(F)cc2)nnc1N1CCC[C@@H](CN2CCCC[C@@H]2C)C1 ZINC001314533603 1070528333 /nfs/dbraw/zinc/52/83/33/1070528333.db2.gz LWUWEBTYPGJLQB-UNMCSNQZSA-N 0 3 491.677 3.534 20 0 JHADHN CCOC(=O)c1oc2ccc(S(=O)(=O)NCC(C)(C)N3C[C@@H](C)C[C@H](C)C3)cc2c1C ZINC001309100032 1070539711 /nfs/dbraw/zinc/53/97/11/1070539711.db2.gz KYUBMNIFDYKTNB-HOTGVXAUSA-N 0 3 450.601 3.953 20 0 JHADHN CCCOc1ncccc1Cn1c(COCC)nnc1N1CCN(C2CCC(C)CC2)CC1 ZINC001313521103 1070587953 /nfs/dbraw/zinc/58/79/53/1070587953.db2.gz HYTQVSJPZQFPDE-UHFFFAOYSA-N 0 3 456.635 3.747 20 0 JHADHN CCSc1cc(Cn2c(CC(C)C)nnc2N2CC[C@H](N3CCN(C(C)C)CC3)C2)ccn1 ZINC001314586155 1070608126 /nfs/dbraw/zinc/60/81/26/1070608126.db2.gz PDMSEBNAIKPRRX-QFIPXVFZSA-N 0 3 471.719 3.637 20 0 JHADHN CCS[C@H]1CC[C@@H](N(C)c2nnc(C(=O)N3CCCC3)n2CCN2CCCC(C)(C)C2)C1 ZINC001314590115 1070617823 /nfs/dbraw/zinc/61/78/23/1070617823.db2.gz WOAHCIIXUNCTSU-UXHICEINSA-N 0 3 462.708 3.747 20 0 JHADHN CCC[C@@H]1C[C@H]1n1c(-c2ccc(CC)cc2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 ZINC001313537618 1070630622 /nfs/dbraw/zinc/63/06/22/1070630622.db2.gz OMJOSCPDRYFIRH-DHIUTWEWSA-N 0 3 452.647 3.859 20 0 JHADHN CCN(C)c1nnc([C@@H]2COCCN2C(=O)OC(C)(C)C)n1C[C@H](c1ccc(C)cc1)N(C)C ZINC001313569500 1070683264 /nfs/dbraw/zinc/68/32/64/1070683264.db2.gz OXXAZLIYOUOUGD-RTWAWAEBSA-N 0 3 472.634 3.654 20 0 JHADHN CN(C)C(=O)[C@@H]1CCCN1CCCn1c(C2CCCC2)nnc1N1CCO[C@](C)(C(C)(C)C)C1 ZINC001314628227 1070723385 /nfs/dbraw/zinc/72/33/85/1070723385.db2.gz HRBJHTXTNVMMSU-LVXARBLLSA-N 0 3 474.694 3.520 20 0 JHADHN CN(C)C(=O)[C@@H]1CCCN1CCCn1c([C@H]2CCCCO2)nnc1N1CC=C(C(C)(C)C)CC1 ZINC001314628489 1070724308 /nfs/dbraw/zinc/72/43/08/1070724308.db2.gz IXTCLVFVWIURSD-FCHUYYIVSA-N 0 3 472.678 3.645 20 0 JHADHN CN(C)C(=O)[C@H]1CCCN1CCCn1c(CC2CCCC2)nnc1N(C)CC1CCCCC1 ZINC001314629140 1070726635 /nfs/dbraw/zinc/72/66/35/1070726635.db2.gz NHZPFCOGKRKOKB-HSZRJFAPSA-N 0 3 458.695 3.970 20 0 JHADHN CCN(c1nnc(Cc2ccc(Cl)cc2)n1CC1(N(C)C)CCCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001313609060 1070733491 /nfs/dbraw/zinc/73/34/91/1070733491.db2.gz GMRMNYOMSDDEKF-OAQYLSRUSA-N 0 3 494.105 3.800 20 0 JHADHN CN(C)[C@@H](Cn1c(-c2ccc[nH]2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1)c1ccc(F)cc1 ZINC001314647685 1070750547 /nfs/dbraw/zinc/75/05/47/1070750547.db2.gz BVLXNYGYRUYQFN-CTNGQTDRSA-N 0 3 483.592 3.819 20 0 JHADHN CN(C)[C@H](Cn1c(CC(C)(C)C)nnc1N1CC[C@@H](C(=O)NCC(F)(F)F)C1)c1ccccc1 ZINC001314650294 1070758611 /nfs/dbraw/zinc/75/86/11/1070758611.db2.gz HNHWTVCISRYMBH-RTBURBONSA-N 0 3 480.579 3.674 20 0 JHADHN CN(C)[C@@H](Cn1c([C@@H]2CCOC2)nnc1N1CCC=C(Br)C1)c1cccs1 ZINC001314649383 1070755547 /nfs/dbraw/zinc/75/55/47/1070755547.db2.gz AHHPRGNHLHBGSF-ZBFHGGJFSA-N 0 3 452.422 3.635 20 0 JHADHN CN(C)[C@H](Cn1c(-c2ccccn2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1)c1ccsc1 ZINC001314649347 1070755596 /nfs/dbraw/zinc/75/55/96/1070755596.db2.gz VPIFNPBSXBLGNF-UYAOXDASSA-N 0 3 483.642 3.808 20 0 JHADHN CCN(CC(C)C)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1C[C@@H]1CCCN(C(C)C)C1 ZINC001313628575 1070759373 /nfs/dbraw/zinc/75/93/73/1070759373.db2.gz VWHXTBUDBSVDAU-HXUWFJFHSA-N 0 3 461.676 3.951 20 0 JHADHN CN(C)C1(Cn2c(CC(C)(C)C)nnc2N2CCS(=O)(=O)C3(CCCCC3)C2)CCCC1 ZINC001314660184 1070783965 /nfs/dbraw/zinc/78/39/65/1070783965.db2.gz SMHFCIDCPWAZSY-UHFFFAOYSA-N 0 3 465.708 3.679 20 0 JHADHN COC(=O)c1sc2ccccc2c1S(=O)(=O)NC[C@]1(C)CCN(Cc2ccccc2)C1 ZINC001309455940 1070780621 /nfs/dbraw/zinc/78/06/21/1070780621.db2.gz DKCNGRZWNUHTSP-QHCPKHFHSA-N 0 3 458.605 3.878 20 0 JHADHN CN(c1nnc(C(C)(C)C)n1C[C@@H]1CCCCN(Cc2ccccc2)C1)[C@H]1CCS(=O)(=O)C1 ZINC001314676509 1070821340 /nfs/dbraw/zinc/82/13/40/1070821340.db2.gz IYKHYDZYWXYRJW-YADHBBJMSA-N 0 3 473.687 3.501 20 0 JHADHN CN(c1nnc(CC(C)(C)C)n1Cc1nnc(C(C)(C)C)s1)C1CCN(CCn2cccn2)CC1 ZINC001314693254 1070853472 /nfs/dbraw/zinc/85/34/72/1070853472.db2.gz GWRUILRUSOHPFO-UHFFFAOYSA-N 0 3 499.733 3.861 20 0 JHADHN 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3.593 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3cc(OC)ccc3Br)n2C[C@H](F)COC)C[C@@H]1C ZINC001313858567 1071361026 /nfs/dbraw/zinc/36/10/26/1071361026.db2.gz BRZMXGJBHARNRW-JYJNAYRXSA-N 0 3 484.414 3.620 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(-c3ccc(C(C)(C)C)cc3)n2Cc2ccc(C(N)=O)nc2)C[C@H]1C ZINC001313859185 1071362381 /nfs/dbraw/zinc/36/23/81/1071362381.db2.gz FKAQBWRVSPVTML-RTBURBONSA-N 0 3 475.641 3.704 20 0 JHADHN CCN1C[C@H](C)N(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCc2ccc(F)c(F)c2)C[C@H]1C ZINC001313859434 1071363688 /nfs/dbraw/zinc/36/36/88/1071363688.db2.gz FYHYHOVKBHBNEN-HHJKRLRDSA-N 0 3 477.600 3.759 20 0 JHADHN CN1CCC[C@@H]1C(=O)N1CCN(c2nnc(-c3ccc(Cl)nc3)n2CCCC(C)(C)C)CC1 ZINC001314923750 1071366683 /nfs/dbraw/zinc/36/66/83/1071366683.db2.gz GXCFBVKNPIIQND-LJQANCHMSA-N 0 3 474.053 3.563 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3ccc(Cl)cc3OC)n2CCc2nnc(C)s2)C[C@@H]1C ZINC001313862435 1071377211 /nfs/dbraw/zinc/37/72/11/1071377211.db2.gz AEUZBLGLQFYJDD-GJZGRUSLSA-N 0 3 476.050 3.929 20 0 JHADHN CCN1C[C@H](C)N(c2nnc([C@@H](C)OCCOC)n2Cc2cccc(Cl)c2C)C[C@H]1C ZINC001313861541 1071374269 /nfs/dbraw/zinc/37/42/69/1071374269.db2.gz NNQQPZPCCUKTMH-ZIFCJYIRSA-N 0 3 450.027 3.931 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3cc(OC)cc(OC)c3)n2CC2(C(=O)N(C)C)CCCC2)C[C@H]1C ZINC001313861645 1071375183 /nfs/dbraw/zinc/37/51/83/1071375183.db2.gz QFWLGZRJBDABBL-UXHICEINSA-N 0 3 498.672 3.530 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2CCSCc2ccccc2F)C[C@H]1C ZINC001313862238 1071376613 /nfs/dbraw/zinc/37/66/13/1071376613.db2.gz SDLQAARIBMSBPF-RTBURBONSA-N 0 3 497.644 3.917 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3cc(Br)cn3C)n2CCc2c(C)noc2C)C[C@H]1C ZINC001313863846 1071383188 /nfs/dbraw/zinc/38/31/88/1071383188.db2.gz UIGSVWWQDTYVQG-CABCVRRESA-N 0 3 490.450 3.813 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3sc(-c4ccccc4)nc3C)n2CCCNC(C)=O)C[C@H]1C ZINC001313863294 1071381738 /nfs/dbraw/zinc/38/17/38/1071381738.db2.gz SWHSSCBDKSQFJM-MSOLQXFVSA-N 0 3 481.670 3.822 20 0 JHADHN CCN1C[C@H](C)N(c2nnc([C@H](C)Oc3ccccc3F)n2CCN(C)CC(F)(F)F)C[C@@H]1C ZINC001313863834 1071383225 /nfs/dbraw/zinc/38/32/25/1071383225.db2.gz UDJDGRMENDEUGA-BZSNNMDCSA-N 0 3 486.558 3.970 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3cc(OC)cc(OC)c3)n2CCCn2nc(C)cc2C)C[C@@H]1C ZINC001313863183 1071380484 /nfs/dbraw/zinc/38/04/84/1071380484.db2.gz VAKSANJHKUPTIL-SFTDATJTSA-N 0 3 481.645 3.785 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3cc(Br)cn3C)n2CCc2c(C)noc2C)C[C@@H]1C ZINC001313863847 1071384015 /nfs/dbraw/zinc/38/40/15/1071384015.db2.gz UIGSVWWQDTYVQG-GJZGRUSLSA-N 0 3 490.450 3.813 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3ccc(Cl)nc3)n2CC[C@@H](OC)C(F)(F)F)C[C@H]1C ZINC001313863960 1071384137 /nfs/dbraw/zinc/38/41/37/1071384137.db2.gz FFZDFMWUFMXKBL-IJEWVQPXSA-N 0 3 460.932 3.880 20 0 JHADHN CCN1C[C@H](C)N(c2nnc([C@@H](C)Oc3ccccc3F)n2Cc2ccc(NC(C)=O)nc2)C[C@@H]1C ZINC001313864766 1071388452 /nfs/dbraw/zinc/38/84/52/1071388452.db2.gz VXDWBOKSFXHXMS-GBESFXJTSA-N 0 3 495.603 3.878 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(-c3ccc(Cl)nc3)n2CCNC(=O)c2ccc(C)cc2)C[C@@H]1C ZINC001313864767 1071388576 /nfs/dbraw/zinc/38/85/76/1071388576.db2.gz HBUFAPUNJFVQOT-RBUKOAKNSA-N 0 3 482.032 3.651 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(C3CCN(c4ncccn4)CC3)n2CC(CC)(CC)OC)C[C@H]1C ZINC001313865517 1071393167 /nfs/dbraw/zinc/39/31/67/1071393167.db2.gz DYZSGCOPWGHNEA-RTWAWAEBSA-N 0 3 484.693 3.576 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(-c3cc4c(s3)CCCCC4)n2CCCNC(C)=O)C[C@@H]1C ZINC001313864937 1071389095 /nfs/dbraw/zinc/38/90/95/1071389095.db2.gz ZLPZICDGSWEOFI-ZWKOTPCHSA-N 0 3 458.676 3.721 20 0 JHADHN CCN1C[C@H](C)N(c2nnc([C@]3(OC(C)C)CCOC3)n2CCc2nc(C)c(C)s2)C[C@@H]1C ZINC001313865832 1071394157 /nfs/dbraw/zinc/39/41/57/1071394157.db2.gz YHOCHHGORWTULS-XFAGBWLFSA-N 0 3 476.691 3.554 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(CCc3ccccc3)n2C[C@@H]2CCN(CC(F)(F)F)C2)C[C@H]1C ZINC001313867540 1071399846 /nfs/dbraw/zinc/39/98/46/1071399846.db2.gz JUWYNEKMWJLKDP-RZUBCFFCSA-N 0 3 478.607 3.866 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(CCc3ccc(OC)cc3)n2Cc2nccc(C(F)F)n2)C[C@H]1C ZINC001313866983 1071397353 /nfs/dbraw/zinc/39/73/53/1071397353.db2.gz HWVVVIZQTQWAPI-MSOLQXFVSA-N 0 3 485.583 3.767 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(-c3ccc(OC)cc3OC)n2CC2(SC)CCOCC2)C[C@@H]1C ZINC001313867153 1071398319 /nfs/dbraw/zinc/39/83/19/1071398319.db2.gz LZFAWCWQUUHSGT-RBUKOAKNSA-N 0 3 489.686 3.793 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(-c3ccccc3)n2CCNc2nccc(C(F)(F)F)n2)C[C@@H]1C ZINC001313867163 1071398740 /nfs/dbraw/zinc/39/87/40/1071398740.db2.gz MEZSNJJBAQDXRK-DLBZAZTESA-N 0 3 474.535 3.785 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(CCCOc3ccc(Cl)cc3C)n2CC2(O)CC2)C[C@H]1C ZINC001313867180 1071399310 /nfs/dbraw/zinc/39/93/10/1071399310.db2.gz IAPPXLCRWUMMCN-RTBURBONSA-N 0 3 462.038 3.695 20 0 JHADHN CN(C)C[C@H]1COC2(CCCC2)CN1C(=O)Nc1ccn(-c2cccc(C(F)(F)F)c2)n1 ZINC001310462275 1071405188 /nfs/dbraw/zinc/40/51/88/1071405188.db2.gz BJFISCAMRAMFNK-SFHVURJKSA-N 0 3 451.493 3.998 20 0 JHADHN CCN1C[C@H](C)N(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCOC(C)C)C[C@H]1C ZINC001313870306 1071412669 /nfs/dbraw/zinc/41/26/69/1071412669.db2.gz QINFTPQQQIJEFY-HKBOAZHASA-N 0 3 478.682 3.737 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(CCCc3ccccc3)n2C[C@@](C)(O)c2ccco2)C[C@H]1C ZINC001313871208 1071416665 /nfs/dbraw/zinc/41/66/65/1071416665.db2.gz YCNROFXLABPEKS-YZIHRLCOSA-N 0 3 451.615 3.873 20 0 JHADHN CCN1C[C@H](C)N(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2Cc2cccc(C)c2)C[C@@H]1C ZINC001313871876 1071418973 /nfs/dbraw/zinc/41/89/73/1071418973.db2.gz UPMXPMJYKISKTB-FUDKSRODSA-N 0 3 498.672 3.862 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3ccc(OC)c(Br)c3)n2C[C@H]2CCCO2)C[C@@H]1C ZINC001313871945 1071419299 /nfs/dbraw/zinc/41/92/99/1071419299.db2.gz VVGUAXBEJBVVHO-XYJFISCASA-N 0 3 478.435 3.814 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(-c3ccc(Cl)cc3OC)n2Cc2nnc(C)s2)C[C@@H]1C ZINC001313872445 1071420803 /nfs/dbraw/zinc/42/08/03/1071420803.db2.gz XJEQZLFELYJPFO-UONOGXRCSA-N 0 3 462.023 3.734 20 0 JHADHN CCN1C[C@H](C)N(c2nnc([C@@H]3CCCOC3)n2Cc2ccc(NC(=O)NC(C)C)cc2)C[C@H]1C ZINC001313872274 1071420917 /nfs/dbraw/zinc/42/09/17/1071420917.db2.gz VZYTYQVSNLZDQA-RZUBCFFCSA-N 0 3 483.661 3.669 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3ccccc3Br)n2C[C@H]2NC(=O)CC2(C)C)C[C@@H]1C ZINC001313872653 1071422981 /nfs/dbraw/zinc/42/29/81/1071422981.db2.gz JZIFPVFPJLPIAI-TXPKVOOTSA-N 0 3 489.462 3.541 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(Cn3nc(C)cc3C)n2CCc2c(F)cccc2F)C[C@H]1C ZINC001313873046 1071424013 /nfs/dbraw/zinc/42/40/13/1071424013.db2.gz BQOCCNGBUQDPIF-MOPGFXCFSA-N 0 3 457.573 3.580 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(COc3ccc(Cl)cc3)n2Cc2cc(C)nn2C)C[C@@H]1C ZINC001313874171 1071427975 /nfs/dbraw/zinc/42/79/75/1071427975.db2.gz GJXGYJSSPYDBMC-ZWKOTPCHSA-N 0 3 458.010 3.520 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3ccc(OC)c(OC)c3)n2CC(C)(C)CCOC)C[C@@H]1C ZINC001313873435 1071424671 /nfs/dbraw/zinc/42/46/71/1071424671.db2.gz ZTLKEBQUMIFSOU-OALUTQOASA-N 0 3 459.635 3.944 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(Cc3c(F)cccc3F)n2CCNC(=O)c2cccs2)C[C@@H]1C ZINC001313874132 1071427254 /nfs/dbraw/zinc/42/72/54/1071427254.db2.gz MWDTXZKPUXMVSN-DLBZAZTESA-N 0 3 488.608 3.558 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(CNC(=O)c3cccs3)n2CCCOC2CCCC2)C[C@@H]1C ZINC001313874740 1071430286 /nfs/dbraw/zinc/43/02/86/1071430286.db2.gz JVQADUFSPKBYIC-OALUTQOASA-N 0 3 474.675 3.538 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(COc3ccc(Cl)cc3)n2Cc2ccc(OC)nc2)C[C@@H]1C ZINC001313875123 1071432199 /nfs/dbraw/zinc/43/21/99/1071432199.db2.gz LEGDSODXQUHBHD-ZWKOTPCHSA-N 0 3 471.005 3.881 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(Cc3ccc(F)cc3)n2CCCN(C)CC(F)(F)F)C[C@@H]1C ZINC001313876131 1071436847 /nfs/dbraw/zinc/43/68/47/1071436847.db2.gz QZMVCUBPUZUBCY-ZWKOTPCHSA-N 0 3 470.559 3.811 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(COc3ccc(C)c(C)c3)n2CCn2cc(Cl)cn2)C[C@H]1C ZINC001313877019 1071439999 /nfs/dbraw/zinc/43/99/99/1071439999.db2.gz QFPPABMIZZKHTN-WOJBJXKFSA-N 0 3 472.037 3.943 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(CNC(=O)c3cccs3)n2Cc2cc(F)ccc2F)C[C@H]1C ZINC001313875988 1071436591 /nfs/dbraw/zinc/43/65/91/1071436591.db2.gz NOMLBARJDBEXKG-CVEARBPZSA-N 0 3 474.581 3.515 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(CNC(=O)c3cccs3)n2Cc2sccc2C)C[C@H]1C ZINC001313879107 1071447057 /nfs/dbraw/zinc/44/70/57/1071447057.db2.gz XTNJAQMOZHJGFD-SJORKVTESA-N 0 3 458.657 3.607 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(Cc3cccnc3)n2CCNc2ncc(Cl)cc2Cl)C[C@@H]1C ZINC001313879080 1071447633 /nfs/dbraw/zinc/44/76/33/1071447633.db2.gz YPUBTLRUVWVOBD-IRXDYDNUSA-N 0 3 489.455 3.997 20 0 JHADHN CCN1C[C@H](C)N(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCc2ccc(O)cc2)C[C@H]1C ZINC001313882441 1071458235 /nfs/dbraw/zinc/45/82/35/1071458235.db2.gz FXQGKXNPOSUYPJ-KIZRIRGWSA-N 0 3 498.672 3.916 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCc2c(C)noc2C)C[C@H]1C ZINC001313887798 1071474184 /nfs/dbraw/zinc/47/41/84/1071474184.db2.gz VZOUUZWVTHVWJS-XWOARTFESA-N 0 3 458.651 3.963 20 0 JHADHN CCN1CC[C@@H](Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CC[C@H](C)C(C)(C)C2)C1 ZINC001313889663 1071480764 /nfs/dbraw/zinc/48/07/64/1071480764.db2.gz LIGWWOMTQNLNHT-RBUKOAKNSA-N 0 3 459.660 3.563 20 0 JHADHN CCN1CCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)C[C@H]1CCCO[C@@H]1c1ccccc1 ZINC001313896591 1071500450 /nfs/dbraw/zinc/50/04/50/1071500450.db2.gz GPPIXQGYLOZTCE-DNVJHFABSA-N 0 3 468.646 3.505 20 0 JHADHN CCN1CCCC[C@@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1CCC[C@H](OCCOC)C1 ZINC001313902967 1071513949 /nfs/dbraw/zinc/51/39/49/1071513949.db2.gz AZPNNYLENJISDO-RPWUZVMVSA-N 0 3 498.672 3.653 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(C(C)C)nnc2N(C)Cc2ccccc2N2CCCC2)CC1 ZINC001313920677 1071559382 /nfs/dbraw/zinc/55/93/82/1071559382.db2.gz LKFHJYROTWZACP-QFIPXVFZSA-N 0 3 453.679 3.664 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCC[C@@H](C(C)C)C2)CC1 ZINC001313919712 1071557677 /nfs/dbraw/zinc/55/76/77/1071557677.db2.gz FMFGAIUGJWCAQY-RTBURBONSA-N 0 3 492.510 3.934 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c([C@H](C)Oc3ccccc3F)nnc2N(C)Cc2ccccn2)CC1 ZINC001313921205 1071561284 /nfs/dbraw/zinc/56/12/84/1071561284.db2.gz OZGNEUYOXBEYMK-SFTDATJTSA-N 0 3 481.620 3.615 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(C)nnc2N(C)[C@H](CF)c2ccc(Br)cc2)CC1 ZINC001313921663 1071562342 /nfs/dbraw/zinc/56/23/42/1071562342.db2.gz SGLWPSGZYKIECY-OXQOHEQNSA-N 0 3 467.431 3.522 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(-c3ccc(OC)cc3)nnc2N(C)[C@H](C)c2ccco2)CC1 ZINC001313923920 1071568708 /nfs/dbraw/zinc/56/87/08/1071568708.db2.gz AVADEBNFYVMBNJ-VQTJNVASSA-N 0 3 452.603 3.770 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(-c3ccc(Cl)cc3F)nnc2N2CCC(CCCO)CC2)CC1 ZINC001313923952 1071568994 /nfs/dbraw/zinc/56/89/94/1071568994.db2.gz BFGNRCOLANGHNW-IBGZPJMESA-N 0 3 493.071 3.753 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(-c3ccccc3C)nnc2N2CCC[C@](C)(OC)CC2)CC1 ZINC001313924809 1071572163 /nfs/dbraw/zinc/57/21/63/1071572163.db2.gz JCANUUFWULJOHN-NVQXNPDNSA-N 0 3 454.663 3.675 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(-c3cccnc3)nnc2N(C)[C@@H](C)c2ccc(OC)cc2)CC1 ZINC001313924956 1071572183 /nfs/dbraw/zinc/57/21/83/1071572183.db2.gz KCZRNNGCXGCZOO-RTWAWAEBSA-N 0 3 463.630 3.572 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(-c3cccnc3)nnc2N(C)[C@@H](C)c2ccc(OC)cc2)CC1 ZINC001313924957 1071572236 /nfs/dbraw/zinc/57/22/36/1071572236.db2.gz KCZRNNGCXGCZOO-SFTDATJTSA-N 0 3 463.630 3.572 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(-c3ccc(OCCC(C)C)cc3)nnc2N2CC[C@@H](C)[C@@H](O)C2)CC1 ZINC001313925238 1071572888 /nfs/dbraw/zinc/57/28/88/1071572888.db2.gz NVTZWLMVEOJQDX-PLXFJCCSSA-N 0 3 498.716 3.603 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(COc3ccc(C)cc3)nnc2N2CC[C@](C)(CC)C2)CC1 ZINC001313926525 1071577042 /nfs/dbraw/zinc/57/70/42/1071577042.db2.gz DGYASEVZZROVHD-NVQXNPDNSA-N 0 3 454.663 3.818 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(Cc3ccccc3F)nnc2N(C)C[C@@H]2CC=CCC2)CC1 ZINC001313927356 1071579815 /nfs/dbraw/zinc/57/98/15/1071579815.db2.gz JWMVXVZLZFFGTI-FGZHOGPDSA-N 0 3 454.638 3.827 20 0 JHADHN CCN1CCN([C@H](C)Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCC[C@H](C)CC2)CC1 ZINC001313927419 1071580004 /nfs/dbraw/zinc/58/00/04/1071580004.db2.gz KRBARURYQVKBJD-WBADGQHESA-N 0 3 460.711 3.849 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(CCc3ccccc3)nnc2N2CC[C@H](CC(C)C)C2)CC1 ZINC001313927759 1071581398 /nfs/dbraw/zinc/58/13/98/1071581398.db2.gz LUKPAQQIJKYCKG-ILBGXUMGSA-N 0 3 452.691 3.962 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(COc3cccc(C)c3)nnc2N2CCC(C)=C(C)C2)CC1 ZINC001313927581 1071580851 /nfs/dbraw/zinc/58/08/51/1071580851.db2.gz MJFSJFNUXNGQCZ-QHCPKHFHSA-N 0 3 452.647 3.738 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(Cn3nc(C)cc3C)nnc2N(C)[C@@H](C)c2ccc(F)cc2)CC1 ZINC001313928044 1071582580 /nfs/dbraw/zinc/58/25/80/1071582580.db2.gz NCDYPFZUKPLGOB-YADHBBJMSA-N 0 3 482.652 3.502 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(COc3ccc(C(C)(C)C)cc3)nnc2N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001313928577 1071584670 /nfs/dbraw/zinc/58/46/70/1071584670.db2.gz UJYGOUVMOMKUGM-ZLNRFVROSA-N 0 3 498.716 3.794 20 0 JHADHN COC(=O)[C@H]1CCCN(c2nnc(-c3ccccc3OC)n2C[C@H](c2cccs2)N(C)C)C1 ZINC001315083626 1071592197 /nfs/dbraw/zinc/59/21/97/1071592197.db2.gz YAEIFQRXTFFVCT-PKOBYXMFSA-N 0 3 469.611 3.708 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(Cc3ccccc3C)nnc2N2C[C@H](C)S[C@@H](C)C2)CC1 ZINC001313931771 1071592528 /nfs/dbraw/zinc/59/25/28/1071592528.db2.gz ZRUGUIBBBRWNIC-FSSWDIPSSA-N 0 3 456.704 3.534 20 0 JHADHN CCN1CCN([C@H]2CCN(c3nnc(-c4ccc(C)o4)n3C[C@H](SC)C(C)(C)C)C2)CC1 ZINC001313944928 1071625743 /nfs/dbraw/zinc/62/57/43/1071625743.db2.gz JRCDWOLXQAZITF-FPOVZHCZSA-N 0 3 460.692 3.840 20 0 JHADHN CCN1CCN([C@@H]2CCN(c3nnc(CC(C)C)n3Cc3ccc(C)cc3SC)C2)CC1 ZINC001313946710 1071629821 /nfs/dbraw/zinc/62/98/21/1071629821.db2.gz FCXNSAVMTRNQPD-JOCHJYFZSA-N 0 3 456.704 3.771 20 0 JHADHN CCN1CCN(C[C@H](C)Cn2c(C(C)C)nnc2N2CC[C@]3(C)[C@H](C2)C3(Cl)Cl)CC1 ZINC001313950709 1071639441 /nfs/dbraw/zinc/63/94/41/1071639441.db2.gz QDVGLQWVDMKKMG-BBTUJRGHSA-N 0 3 457.494 3.695 20 0 JHADHN CCN1CCN([C@@H]2CCN(c3nnc(Cc4csc(C)n4)n3C[C@@H](SC)C(C)(C)C)C2)CC1 ZINC001313950555 1071638744 /nfs/dbraw/zinc/63/87/44/1071638744.db2.gz VNVPZFHWMWOIBN-NHCUHLMSSA-N 0 3 491.775 3.628 20 0 JHADHN CCN1CCN(C[C@H](C)Cn2c(N3CCO[C@H](c4ccc(F)c(F)c4)C3)nnc2C(C)(C)C)CC1 ZINC001313950664 1071639298 /nfs/dbraw/zinc/63/92/98/1071639298.db2.gz BUFKIKOQXBYWTB-CVDCTZTESA-N 0 3 490.643 3.705 20 0 JHADHN CCN1CCN(C[C@H](C)Cn2c(Cc3csc(C)n3)nnc2N2CCC[C@H](C)CC2)CC1 ZINC001313954572 1071651749 /nfs/dbraw/zinc/65/17/49/1071651749.db2.gz BXOGHWDAHNKYQA-PMACEKPBSA-N 0 3 459.708 3.534 20 0 JHADHN CCN1CCN(C[C@@H](C)Cn2c(COc3cc(C)cc(C)c3)nnc2N2C[C@H](C)OC(C)(C)C2)CC1 ZINC001313955167 1071654886 /nfs/dbraw/zinc/65/48/86/1071654886.db2.gz FVZVQVHKUGHKKN-RPWUZVMVSA-N 0 3 498.716 3.751 20 0 JHADHN CCN(Cc1nc2ccccc2c(=O)[nH]1)c1nnc(CC(C)(C)C)n1CCCN1CCN(CC)CC1 ZINC001313956962 1071658714 /nfs/dbraw/zinc/65/87/14/1071658714.db2.gz OHBDVPRCBWXFES-UHFFFAOYSA-N 0 3 494.688 3.570 20 0 JHADHN CCN1CCN(C[C@H](C)Cn2c(Cc3ccsc3)nnc2N2CCSC(C)(C)C2)CC1 ZINC001313957264 1071659965 /nfs/dbraw/zinc/65/99/65/1071659965.db2.gz QEJKKQXDAPULGA-IBGZPJMESA-N 0 3 462.733 3.536 20 0 JHADHN CCN1CCN(C[C@H](C)Cn2c(CC(C)C)nnc2N2CCc3c(F)ccc(F)c3C2)CC1 ZINC001313957901 1071661808 /nfs/dbraw/zinc/66/18/08/1071661808.db2.gz RYPYDNSLZSZJET-IBGZPJMESA-N 0 3 460.617 3.591 20 0 JHADHN CCN1CCN(C[C@H](C)Cn2c(Cc3c(F)cccc3F)nnc2N2C[C@H](C)[C@H](C)C2)CC1 ZINC001313957936 1071661924 /nfs/dbraw/zinc/66/19/24/1071661924.db2.gz SKKQYDTUBHQTDX-SLFFLAALSA-N 0 3 460.617 3.513 20 0 JHADHN CCN1CCN(CCCn2c(CSc3ccc(C)cc3)nnc2N2CCC[C@H](OC)C2)CC1 ZINC001313959982 1071668699 /nfs/dbraw/zinc/66/86/99/1071668699.db2.gz DBRBRYQVGFODEG-QFIPXVFZSA-N 0 3 472.703 3.522 20 0 JHADHN CCN1CCN(C[C@H](C)Cn2c(Cc3ccccc3F)nnc2N(C)CCC(F)(F)F)CC1 ZINC001313959055 1071665769 /nfs/dbraw/zinc/66/57/69/1071665769.db2.gz ZAQBEXBZGPEGIQ-SFHVURJKSA-N 0 3 470.559 3.670 20 0 JHADHN CCN1CCN(CCCn2c([C@@H](C)Oc3cccc(C)c3C)nnc2N2CCOC(C)(C)C2)CC1 ZINC001313959727 1071667555 /nfs/dbraw/zinc/66/75/55/1071667555.db2.gz CBFOUAULOCYYRX-HSZRJFAPSA-N 0 3 484.689 3.678 20 0 JHADHN CCN1CCN(CCCn2c(CSc3ccc(C)cc3)nnc2N2C[C@H](C)[C@@H](C)C2)CC1 ZINC001313961517 1071672865 /nfs/dbraw/zinc/67/28/65/1071672865.db2.gz UAFRCXBKRCSZQS-VXKWHMMOSA-N 0 3 456.704 3.999 20 0 JHADHN CCNC(=O)C(C)(C)Cn1c(-c2cccc(Br)c2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001313964619 1071681006 /nfs/dbraw/zinc/68/10/06/1071681006.db2.gz DAAPKPIBTMZBIM-UHFFFAOYSA-N 0 3 491.478 3.790 20 0 JHADHN CCNC(=O)C(C)(C)Cn1c(COc2ccccc2F)nnc1N1CCN(C2CCCCC2)CC1 ZINC001313971783 1071696589 /nfs/dbraw/zinc/69/65/89/1071696589.db2.gz AXGHRGRLENOWER-UHFFFAOYSA-N 0 3 486.636 3.613 20 0 JHADHN CCNC(=O)c1ccc(Cn2c(Cc3ccsc3)nnc2N2C[C@@H](C)N(CC)C[C@@H]2C)cc1 ZINC001313981647 1071718069 /nfs/dbraw/zinc/71/80/69/1071718069.db2.gz HCICAAOTBYQSAX-MOPGFXCFSA-N 0 3 466.655 3.647 20 0 JHADHN CCOC(=O)N(C)C1CCN(c2nnc(CC)n2C[C@@H](c2ccccc2OC)N2CCCC2)CC1 ZINC001314017253 1071762699 /nfs/dbraw/zinc/76/26/99/1071762699.db2.gz VXYQFNRSHZIOOM-QFIPXVFZSA-N 0 3 484.645 3.743 20 0 JHADHN CCOC(=O)N[C@@H]1CCCN(c2nnc([C@@H](C)CC)n2CCCN2CCN(c3ccccc3)CC2)C1 ZINC001314036530 1071827502 /nfs/dbraw/zinc/82/75/02/1071827502.db2.gz OKTIXVOGRCUIJU-XZOQPEGZSA-N 0 3 497.688 3.719 20 0 JHADHN CCOC(C)(C)Cn1c(COc2cccc(C)c2)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001314054507 1071879077 /nfs/dbraw/zinc/87/90/77/1071879077.db2.gz ISTUHNNTAFYPKO-UHFFFAOYSA-N 0 3 471.646 3.529 20 0 JHADHN CCO[C@]1(c2nnc(N3CC(C)(C)OC(C)(C)C3)n2C[C@@H](c2ccccc2)N(C)C)CCOC1 ZINC001314094617 1071973064 /nfs/dbraw/zinc/97/30/64/1071973064.db2.gz AIYCFMSVJXQJCR-HFZDXXHNSA-N 0 3 471.646 3.627 20 0 JHADHN CCO[C@]1(c2nnc(N3CCC(CC)CC3)n2C[C@@H](c2cccc(OC)c2)N(C)C)CCOC1 ZINC001314111285 1072005429 /nfs/dbraw/zinc/00/54/29/1072005429.db2.gz JFURVPQKCQROSU-JYFHCDHNSA-N 0 3 471.646 3.868 20 0 JHADHN CCO[C@]1(c2nnc(N3CCN(C(C)(C)C)CC3)n2C[C@H](C)Cc2cccs2)CCOC1 ZINC001314134319 1072046151 /nfs/dbraw/zinc/04/61/51/1072046151.db2.gz IJFCAGMSXYETCN-NTKDMRAZSA-N 0 3 461.676 3.791 20 0 JHADHN CCO[C@@]1(c2nnc(N3CCN(CC(C)C)CC3)n2CCc2ccc(F)cc2Cl)CCOC1 ZINC001314134506 1072046629 /nfs/dbraw/zinc/04/66/29/1072046629.db2.gz IGDWASDQPAEDOX-DEOSSOPVSA-N 0 3 480.028 3.743 20 0 JHADHN CCc1ccc(-c2nnc(N3CCCC[C@H](S(C)(=O)=O)C3)n2CCN(C)[C@H](C)CC)cc1 ZINC001305941956 1068252534 /nfs/dbraw/zinc/25/25/34/1068252534.db2.gz PJCWQVHAGISJKS-KNQAVFIVSA-N 0 3 461.676 3.641 20 0 JHADHN CCc1ccccc1OCc1nnc(N2C[C@@H](C)N(CC)C[C@H]2C)n1Cc1conc1COC ZINC001305980541 1068324027 /nfs/dbraw/zinc/32/40/27/1068324027.db2.gz CWNNERYWFNAWJA-RTBURBONSA-N 0 3 468.602 3.521 20 0 JHADHN CCc1csc([C@@H]2CCCN(c3nnc(CC(C)C)n3CCN3CCN(C)C(C)(C)C3)C2)n1 ZINC001305999882 1068369691 /nfs/dbraw/zinc/36/96/91/1068369691.db2.gz GLNGUJMGHXLKQN-HXUWFJFHSA-N 0 3 473.735 3.906 20 0 JHADHN CCc1csc([C@@H]2CCCN(c3nnc(CC(C)C)n3C[C@@H](C)N3CCN(CC)CC3)C2)n1 ZINC001306001117 1068373111 /nfs/dbraw/zinc/37/31/11/1068373111.db2.gz OKQCAIHWKXEZRB-NHCUHLMSSA-N 0 3 473.735 3.906 20 0 JHADHN CCc1nc(CN(C)c2nnc(-c3ccccc3F)n2CCN2CCN(C)C(C)(C)C2)cs1 ZINC001306030182 1068429663 /nfs/dbraw/zinc/42/96/63/1068429663.db2.gz VJNJWIXHCFSWCW-UHFFFAOYSA-N 0 3 471.650 3.766 20 0 JHADHN CCc1nnc(N2CCC(C(=O)N3CCCCC3)CC2)n1C[C@H](c1cccc(F)c1)N(C)C ZINC001306118767 1068526126 /nfs/dbraw/zinc/52/61/26/1068526126.db2.gz VEHHCPDWZWGBTR-JOCHJYFZSA-N 0 3 456.610 3.511 20 0 JHADHN CCc1nnc(N2CCC(NC(=O)Nc3ccccc3)CC2)n1C[C@@H](c1cccs1)N(C)C ZINC001306143743 1068545784 /nfs/dbraw/zinc/54/57/84/1068545784.db2.gz LGDAYEQPFLJKGH-FQEVSTJZSA-N 0 3 467.643 3.995 20 0 JHADHN CCc1noc(C)c1Cn1c(C(C)C)nnc1N1CCN(CCN(C)Cc2ccccc2)CC1 ZINC001306234229 1068626978 /nfs/dbraw/zinc/62/69/78/1068626978.db2.gz QODLPZNLPDBMBG-UHFFFAOYSA-N 0 3 465.646 3.563 20 0 JHADHN CCc1noc(C)c1Cn1c(-c2ccc(OC)cc2OC)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C ZINC001306235334 1068628141 /nfs/dbraw/zinc/62/81/41/1068628141.db2.gz SKAWEWWEZUJRAL-SJORKVTESA-N 0 3 468.602 3.788 20 0 JHADHN CC[C@@H]1C(=O)NCCN1c1nnc(COc2ccc(Cl)cc2)n1C[C@@H](c1cccs1)N(C)C ZINC001306259319 1068667506 /nfs/dbraw/zinc/66/75/06/1068667506.db2.gz FFDHRERXDNYJLA-MOPGFXCFSA-N 0 3 489.045 3.590 20 0 JHADHN CC[C@@H]1C(=O)NCCN1c1nnc(COc2ccc(C)c(C)c2)n1C[C@@H](c1cccs1)N(C)C ZINC001306262415 1068672680 /nfs/dbraw/zinc/67/26/80/1068672680.db2.gz XIQDCTXICPOVSS-RTWAWAEBSA-N 0 3 482.654 3.553 20 0 JHADHN CC(C)(C)N1CC[C@](F)(C(=O)NCCN2C(=O)S/C(=C/c3ccc(Cl)cc3)C2=O)C1 ZINC001306308033 1068726517 /nfs/dbraw/zinc/72/65/17/1068726517.db2.gz DXMVTLJLYZIMTI-CZIOWHBQSA-N 0 3 453.967 3.705 20 0 JHADHN CC[C@H]1CCCCN1CCn1c(-c2ccc(OC)cc2)nnc1N1CCC(S(=O)(=O)CC)CC1 ZINC001306317622 1068739246 /nfs/dbraw/zinc/73/92/46/1068739246.db2.gz AOMNZIAGHAHPLL-NRFANRHFSA-N 0 3 489.686 3.622 20 0 JHADHN CC[C@H]1CCCC[N@@H+]1CCn1c(CC(C)(C)C)nnc1N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC001306322796 1068755148 /nfs/dbraw/zinc/75/51/48/1068755148.db2.gz HTSWNQZZJSMHEJ-QFIPXVFZSA-N 0 3 482.673 3.799 20 0 JHADHN CC[C@H]1CCCC[N@H+]1CCn1c(CC(C)(C)C)nnc1N1CCN(C(=O)c2ccc([O-])cc2)CC1 ZINC001306322796 1068755154 /nfs/dbraw/zinc/75/51/54/1068755154.db2.gz HTSWNQZZJSMHEJ-QFIPXVFZSA-N 0 3 482.673 3.799 20 0 JHADHN CC[C@@H]1CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[C@@H](C)N(C)Cc2ccccc2)C1 ZINC001306337545 1068774274 /nfs/dbraw/zinc/77/42/74/1068774274.db2.gz QQPOLQFIBIILNS-XPNTWCBSSA-N 0 3 473.687 3.717 20 0 JHADHN CC[C@@H]1CCCN1c1nnc([C@H](C)Oc2ccc(F)cc2)n1C[C@@H](C)N1CCN(CC)CC1 ZINC001306342431 1068779045 /nfs/dbraw/zinc/77/90/45/1068779045.db2.gz QPYNIPBWCZGYEQ-RZUBCFFCSA-N 0 3 458.626 3.962 20 0 JHADHN CC[C@@H]1CCCN1c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@H](C)N1CCN(CC)CC1 ZINC001306348427 1068785259 /nfs/dbraw/zinc/78/52/59/1068785259.db2.gz UDFRZRMMGJWZQG-UYAOXDASSA-N 0 3 462.589 3.951 20 0 JHADHN CC[C@H]1CN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@H]2N(C)CCCC2(C)C)CCO1 ZINC001306391190 1068831262 /nfs/dbraw/zinc/83/12/62/1068831262.db2.gz LCAUPJOAJBCINF-VXKWHMMOSA-N 0 3 468.646 3.883 20 0 JHADHN CC[C@@H]1CN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CC(C)(C)CN2CCCC2)CCS1 ZINC001306400006 1068857096 /nfs/dbraw/zinc/85/70/96/1068857096.db2.gz HBEHEKGKZRNJAI-HXUWFJFHSA-N 0 3 491.727 3.802 20 0 JHADHN CC[C@@H]1CN(c2nnc(-c3ccccc3Cl)n2Cc2cnccc2OC)CCN1CCOC ZINC001306415800 1068903948 /nfs/dbraw/zinc/90/39/48/1068903948.db2.gz VVMKZRDSYLFDTC-LJQANCHMSA-N 0 3 471.005 3.597 20 0 JHADHN CC[C@H]1CN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCN(C)Cc2ccccc2)CCO1 ZINC001306463952 1069000248 /nfs/dbraw/zinc/00/02/48/1069000248.db2.gz KMFKNVDAQDQJPG-ZRBLBEILSA-N 0 3 498.672 3.796 20 0 JHADHN CC/C=C\Cn1c(-c2ccc(CC)cc2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 ZINC001306469203 1069011443 /nfs/dbraw/zinc/01/14/43/1069011443.db2.gz XIYKLAOQWDWTEO-GUHNSWKSSA-N 0 3 464.658 3.853 20 0 JHADHN CC/C=C\Cn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC001306482537 1069022487 /nfs/dbraw/zinc/02/24/87/1069022487.db2.gz ARYDMKDCGPKTGG-POUSAUBHSA-N 0 3 466.674 3.643 20 0 JHADHN CCN1CCN(c2cccc(NC(=O)N[C@@H](c3nccn3C)c3ccc(F)c(F)c3)c2)CC1 ZINC001310596470 1069040028 /nfs/dbraw/zinc/04/00/28/1069040028.db2.gz KYMXRCSLNIYHCT-JOCHJYFZSA-N 0 3 454.525 3.751 20 0 JHADHN CCN1CCN(c2cccc(NC(=O)N[C@@H]3CCN(c4ccc(Cl)c(F)c4)C3=O)c2)CC1 ZINC001310597986 1069040993 /nfs/dbraw/zinc/04/09/93/1069040993.db2.gz VBDHFKHSEUTWEF-OAQYLSRUSA-N 0 3 459.953 3.548 20 0 JHADHN CCN1CCN(c2cccc(NC(=O)N3CCC[C@@H]4[C@@H]3CCN4C(=O)OC(C)(C)C)c2)CC1 ZINC001310598227 1069042265 /nfs/dbraw/zinc/04/22/65/1069042265.db2.gz WKUUSQXYTWCTDV-YADHBBJMSA-N 0 3 457.619 3.834 20 0 JHADHN CCCC(=O)N[C@@H]1CCCN(c2nnc(CC(C)C)n2C[C@H](c2cccc(F)c2)N(C)C)C1 ZINC001306504124 1069075725 /nfs/dbraw/zinc/07/57/25/1069075725.db2.gz CPAVRFFEGIZXED-FGZHOGPDSA-N 0 3 458.626 3.804 20 0 JHADHN CCCC(=O)NC[C@@H]1CCCN(c2nnc(C(C)C)n2C[C@H](c2cccc(F)c2)N(C)C)C1 ZINC001306515448 1069117990 /nfs/dbraw/zinc/11/79/90/1069117990.db2.gz QRJRSJUWAMLJDL-SIKLNZKXSA-N 0 3 458.626 3.976 20 0 JHADHN CCC[C@H](C)C(=O)NCCn1c(-c2cccc3cccnc32)nnc1N1C[C@H](C)N(CC)C[C@@H]1C ZINC001306546199 1069202966 /nfs/dbraw/zinc/20/29/66/1069202966.db2.gz AQQFIRFGHDWJDM-ACRUOGEOSA-N 0 3 477.657 3.965 20 0 JHADHN CCC[C@H](C)C(=O)NCCn1c(-c2c[nH]c3ccccc23)nnc1N1CCN(CC(C)C)CC1 ZINC001306549122 1069209994 /nfs/dbraw/zinc/20/99/94/1069209994.db2.gz LGZDRUBHHKBHHM-FQEVSTJZSA-N 0 3 465.646 3.757 20 0 JHADHN O=C(Nc1ccc(SCC[NH+]2CCCC2)cc1)N1CCC[C@H](C[N-]C(=O)C(F)(F)F)C1 ZINC001310961177 1069234610 /nfs/dbraw/zinc/23/46/10/1069234610.db2.gz CFRYCRZFNVZPMC-MRXNPFEDSA-N 0 3 458.550 3.797 20 0 JHADHN COc1ccc(S(=O)(=O)[N-]c2cccc(CNC(=O)[C@H]3CC[N@H+](C)[C@H]3c3ccccc3)c2)cc1 ZINC001306574457 1069241045 /nfs/dbraw/zinc/24/10/45/1069241045.db2.gz QXQAMMPGKIUSQH-DQEYMECFSA-N 0 3 479.602 3.805 20 0 JHADHN COc1ccc(S(=O)(=O)[N-]c2cccc(CNC(=O)[C@H]3CC[N@@H+](C)[C@H]3c3ccccc3)c2)cc1 ZINC001306574457 1069241059 /nfs/dbraw/zinc/24/10/59/1069241059.db2.gz QXQAMMPGKIUSQH-DQEYMECFSA-N 0 3 479.602 3.805 20 0 JHADHN CC(C)CCc1nnc(NC(=O)N2CCC[C@H](CN3CCN(c4ccccn4)CC3)C2)s1 ZINC001310992307 1069243390 /nfs/dbraw/zinc/24/33/90/1069243390.db2.gz XVQHEXJMMIHJDM-LJQANCHMSA-N 0 3 457.648 3.588 20 0 JHADHN O=C(Nc1cc(F)c(F)c(F)c1F)N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1 ZINC001311117694 1069277820 /nfs/dbraw/zinc/27/78/20/1069277820.db2.gz XHJNYNZGRAJZRL-OAHLLOKOSA-N 0 3 451.468 3.704 20 0 JHADHN COc1cc(NC(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)c2nccc(OC)c2c1 ZINC001311182350 1069292044 /nfs/dbraw/zinc/29/20/44/1069292044.db2.gz OQHHBRYNQFRYLM-HXUWFJFHSA-N 0 3 450.539 3.665 20 0 JHADHN CCC[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3F)n2Cc2snnc2C)CCN1CCOC ZINC001306617807 1069300547 /nfs/dbraw/zinc/30/05/47/1069300547.db2.gz BLRPVACRBONROF-QGZVFWFLSA-N 0 3 494.040 3.883 20 0 JHADHN CCC[C@H]1CN(c2nnc(C(C)(C)C)n2CCN2CCc3sccc3C2)CCN1CCOC ZINC001306620366 1069306654 /nfs/dbraw/zinc/30/66/54/1069306654.db2.gz YKWITXIBOPPLPV-NRFANRHFSA-N 0 3 474.719 3.633 20 0 JHADHN CCC[C@@H]1CN(c2nnc(-c3ccc(C)o3)n2Cc2ccc(OC)cc2)CCN1CCOC ZINC001306620859 1069308352 /nfs/dbraw/zinc/30/83/52/1069308352.db2.gz SJGIUOQSZNSXAP-OAQYLSRUSA-N 0 3 453.587 3.841 20 0 JHADHN CCOC(=O)c1ccc(NC(=O)Nc2cc3cccc4c3c(c2)C(=O)N(CCN(C)C)C4=O)cc1 ZINC000028712249 563076898 /nfs/dbraw/zinc/07/68/98/563076898.db2.gz BXFGSRARUSCUGH-UHFFFAOYSA-N 0 3 474.517 3.818 20 0 JHADHN CCOC(=O)c1cnc(Cl)nc1C(F)(F)N1CCC[C@@H]2CN(Cc3ccccc3)C[C@H]21 ZINC001164625380 719056262 /nfs/dbraw/zinc/05/62/62/719056262.db2.gz PJMYLCKKZVNORT-SJLPKXTDSA-N 0 3 450.917 3.952 20 0 JHADHN CNC(=O)CN1CCCC12CCN(c1nc(COC)nc3scc(-c4ccccc4)c31)CC2 ZINC001164689833 719748718 /nfs/dbraw/zinc/74/87/18/719748718.db2.gz LFPIQYASTOCPMN-UHFFFAOYSA-N 0 3 465.623 3.686 20 0 JHADHN CCOC(=O)c1ccc(Cl)nc1-c1ccc(F)cc1N1CCN2C[C@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164739871 720729445 /nfs/dbraw/zinc/72/94/45/720729445.db2.gz JBYQSEYMKWEUJL-QZTJIDSGSA-N 0 3 497.958 3.850 20 0 JHADHN c1ccc(-c2ccc(-c3ccc(N4CCN5C[C@@H](Oc6cncnc6)C[C@@H]5C4)nn3)cc2)cc1 ZINC001164740968 720782704 /nfs/dbraw/zinc/78/27/04/720782704.db2.gz LUCWGURPAPDUFD-RPWUZVMVSA-N 0 3 450.546 3.943 20 0 JHADHN O=C(NCc1ccccc1)c1cc(Cl)nc(N2CCN3C[C@@H](OCc4cccnc4)C[C@H]3C2)c1 ZINC001164868373 721061907 /nfs/dbraw/zinc/06/19/07/721061907.db2.gz OFTGRRDMJKYIRY-GOTSBHOMSA-N 0 3 477.996 3.540 20 0 JHADHN Cn1cc(CN2CC[C@H]3CN(c4cc(C(=O)Nc5ccc(Cl)nc5)ccc4F)C[C@@H]3C2)cn1 ZINC001164768113 721134500 /nfs/dbraw/zinc/13/45/00/721134500.db2.gz NHAVGCQOIWPMQC-OALUTQOASA-N 0 3 468.964 3.818 20 0 JHADHN F[C@H](Oc1cccc(-c2ccc(Cl)nn2)c1)N1CCN2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164880662 721163309 /nfs/dbraw/zinc/16/33/09/721163309.db2.gz WURDUQDLFMYQDY-IZIIKQMZSA-N 0 3 469.948 3.799 20 0 JHADHN Cn1cc(CN2CC[C@H]3CN(c4nc(-c5cccnc5)nc5sc6c(c54)CCC6)C[C@H]3C2)cn1 ZINC001164765652 721201104 /nfs/dbraw/zinc/20/11/04/721201104.db2.gz IBNBPHPHVGVBOO-VQTJNVASSA-N 0 3 471.634 3.934 20 0 JHADHN Fc1cccc(O[C@H]2C[C@H]3CN(c4ncnc5c4CN(Cc4ccccc4)CC5)CCN3C2)c1 ZINC001164896944 721518231 /nfs/dbraw/zinc/51/82/31/721518231.db2.gz CSKSYQBPKKCFRN-UPVQGACJSA-N 0 3 459.569 3.516 20 0 JHADHN Fc1cccc(O[C@H]2C[C@H]3CN(c4ncnc5c4CCN(Cc4ccccc4)C5)CCN3C2)c1 ZINC001164908105 721529767 /nfs/dbraw/zinc/52/97/67/721529767.db2.gz ORWNGLDDXZHQKP-UPVQGACJSA-N 0 3 459.569 3.516 20 0 JHADHN CN(C)C(=O)c1cc2cnc(N3CCN4C[C@@H](Oc5cccc(F)c5)C[C@H]4C3)nc2n1C1CCCC1 ZINC001164908829 721533839 /nfs/dbraw/zinc/53/38/39/721533839.db2.gz QRZPRYBEYMGEHM-GMAHTHKFSA-N 0 3 492.599 3.729 20 0 JHADHN CCOC(Cc1c(Cl)ncnc1N1CCN2C[C@@H](Oc3cccc(F)c3)C[C@H]2C1)OCC ZINC001164905208 721534251 /nfs/dbraw/zinc/53/42/51/721534251.db2.gz GQGWJOKSKOERPN-HKUYNNGSSA-N 0 3 464.969 3.553 20 0 JHADHN CS(=O)(=O)c1ccc(-c2noc(C3CCN(c4ncccc4CN4CCCC4)CC3)n2)cc1 ZINC001165032720 721876851 /nfs/dbraw/zinc/87/68/51/721876851.db2.gz BBNSLLIVHZZTGZ-UHFFFAOYSA-N 0 3 467.595 3.515 20 0 JHADHN FC(F)(c1ccc2c(Cl)ncnc2c1)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164982765 722105061 /nfs/dbraw/zinc/10/50/61/722105061.db2.gz OVOVISCJTPIRQO-DYESRHJHSA-N 0 3 459.928 3.950 20 0 JHADHN Fc1cccc(Cn2ccc3c2ncnc3N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c1 ZINC001164973981 722123538 /nfs/dbraw/zinc/12/35/38/722123538.db2.gz IGSBVGAQEDPANM-RCZVLFRGSA-N 0 3 472.568 3.741 20 0 JHADHN c1ccc2nc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)c(N3CCCCC3)nc2c1 ZINC001164975219 722138352 /nfs/dbraw/zinc/13/83/52/722138352.db2.gz FTKBJTUUZCKLCB-RCZVLFRGSA-N 0 3 458.610 3.742 20 0 JHADHN c1ccc2c(c1)nc(-c1cccnc1)nc2N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164981721 722139879 /nfs/dbraw/zinc/13/98/79/722139879.db2.gz QEWJPVWPBVMQCR-WIOPSUGQSA-N 0 3 452.562 3.814 20 0 JHADHN Clc1cccc(COc2cncc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)n2)c1 ZINC001164976242 722154185 /nfs/dbraw/zinc/15/41/85/722154185.db2.gz VSWYMMQFGGYQMI-GGAORHGYSA-N 0 3 465.985 3.831 20 0 JHADHN CCC[C@@H]1CN(c2nnc(-c3cc4c(s3)CC[C@H](C)C4)n2CCOC)CCN1CCOC ZINC001306621506 1069310140 /nfs/dbraw/zinc/31/01/40/1069310140.db2.gz XYKBLVGTRJLIEH-AZUAARDMSA-N 0 3 461.676 3.715 20 0 JHADHN CCC[C@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2Cc2cccc(O)c2)CCN1CCOC ZINC001306621384 1069310181 /nfs/dbraw/zinc/31/01/81/1069310181.db2.gz BVSQEBAAIHUMEI-FQEVSTJZSA-N 0 3 471.005 3.685 20 0 JHADHN CCC[C@@H]1CN(c2nnc(CC)n2C[C@H]2CC3(CC3)CN2C(=O)OC(C)(C)C)CCN1CCOC ZINC001306626141 1069320920 /nfs/dbraw/zinc/32/09/20/1069320920.db2.gz CVIKFBHNMUWAOX-NHCUHLMSSA-N 0 3 490.693 3.567 20 0 JHADHN CCC[C@@H]1CN(c2nnc(-c3ccccc3F)n2C[C@@H]2CCC[C@H]2OC)CCN1CCOC ZINC001306639861 1069350973 /nfs/dbraw/zinc/35/09/73/1069350973.db2.gz CZNJWTLDSFSJOL-MIZPHKNDSA-N 0 3 459.610 3.836 20 0 JHADHN CCC[C@@H]1CN(c2nnc(-c3ccccc3Cl)n2CCc2ccn(C)n2)CCN1CCOC ZINC001306647331 1069358741 /nfs/dbraw/zinc/35/87/41/1069358741.db2.gz NHWYLQYTAVPIPN-HXUWFJFHSA-N 0 3 472.037 3.512 20 0 JHADHN CCCCN(C)C(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H](c2ccc(C)cc2)N(C)C)CC1 ZINC001306665586 1069392373 /nfs/dbraw/zinc/39/23/73/1069392373.db2.gz OCVUQUQDYIODNE-JWQCQUIFSA-N 0 3 496.700 3.868 20 0 JHADHN CCN(CC)[C@@H](CNC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1=O)c1cccc(OC)c1 ZINC001311469672 1069393255 /nfs/dbraw/zinc/39/32/55/1069393255.db2.gz NPTDESPXCIQPBW-RPWUZVMVSA-N 0 3 452.599 3.569 20 0 JHADHN C[C@@H]1CCN(C(=O)NC2CCN(C(=O)c3ccccc3F)CC2)CCN1Cc1ccccc1 ZINC001311482997 1069398527 /nfs/dbraw/zinc/39/85/27/1069398527.db2.gz VBBKXTSNSPVNSQ-HXUWFJFHSA-N 0 3 452.574 3.736 20 0 JHADHN O=C(NCc1ccc(COc2ccccc2)cc1)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC001311486999 1069400622 /nfs/dbraw/zinc/40/06/22/1069400622.db2.gz GEWMMXITNYXTIW-AHKZPQOWSA-N 0 3 459.590 3.948 20 0 JHADHN O=C(NC[C@H](c1cccs1)N1CCCC1)N[C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC001311574057 1069445306 /nfs/dbraw/zinc/44/53/06/1069445306.db2.gz ARRJECXTEBGBPW-ZWKOTPCHSA-N 0 3 450.967 3.782 20 0 JHADHN CC1CCN([C@@H](CNC(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2=O)c2cccs2)CC1 ZINC001311575805 1069445647 /nfs/dbraw/zinc/44/56/47/1069445647.db2.gz YLYPPBCRJDXBGT-VXKWHMMOSA-N 0 3 454.640 3.964 20 0 JHADHN O=C(NCc1cnn(-c2ccc(Br)cc2)c1)N[C@@H]1CCN(Cc2ccccc2)C1 ZINC001311578736 1069447493 /nfs/dbraw/zinc/44/74/93/1069447493.db2.gz SZACYRNSZNZAOJ-HXUWFJFHSA-N 0 3 454.372 3.709 20 0 JHADHN CC[C@H](NC(=O)NC[C@H](c1cccs1)N1CCCC1)[C@H]1CN(Cc2ccccc2)CCO1 ZINC001311577249 1069446886 /nfs/dbraw/zinc/44/68/86/1069446886.db2.gz SEJWNHNBOFFOBA-YTFSRNRJSA-N 0 3 456.656 3.864 20 0 JHADHN O=C(NC1CCCC1)OC[C@H]1CCCCN1C(=O)NCC1(N2CCSCC2)CCCC1 ZINC001311582893 1069449923 /nfs/dbraw/zinc/44/99/23/1069449923.db2.gz DWZGXOBSNSLAES-HXUWFJFHSA-N 0 3 452.665 3.581 20 0 JHADHN C[C@H]1CN(C(=O)NCC2(N3CCSCC3)CCCC2)CC[C@@H]1CNC(=O)OC(C)(C)C ZINC001311583989 1069450609 /nfs/dbraw/zinc/45/06/09/1069450609.db2.gz NWGUYOHLQPBKFF-RBUKOAKNSA-N 0 3 454.681 3.540 20 0 JHADHN CC[C@H](NC(=O)N(CC)[C@H]1CCN(Cc2ccccc2)C1)c1ccccc1OCC(=O)NC ZINC001311611131 1069463021 /nfs/dbraw/zinc/46/30/21/1069463021.db2.gz ISKXJXIAYSMABQ-GMAHTHKFSA-N 0 3 452.599 3.569 20 0 JHADHN CC(C)n1ncc2c1[C@@H](NC(=O)NCCCCN1CCN(Cc3ccccc3)CC1)CCC2 ZINC001311630324 1069478839 /nfs/dbraw/zinc/47/88/39/1069478839.db2.gz OBIYLERQYIEDBE-DEOSSOPVSA-N 0 3 452.647 3.739 20 0 JHADHN CC[C@@H]1CN(C(=O)NCc2cccc(CN3CCO[C@H](C)C3)c2)CCN1Cc1ccccc1 ZINC001311667307 1069495785 /nfs/dbraw/zinc/49/57/85/1069495785.db2.gz SAGRVACQBIMPLP-ATIYNZHBSA-N 0 3 450.627 3.713 20 0 JHADHN C[C@H](c1ccccc1)N1CC[C@@H](NC(=O)N2CCC(NC(=O)OCc3ccccc3)CC2)C1 ZINC001311714688 1069515483 /nfs/dbraw/zinc/51/54/83/1069515483.db2.gz SMZNSOWKUIHIQX-HYBUGGRVSA-N 0 3 450.583 3.922 20 0 JHADHN CCN(CC)[C@H](CNC(=O)NCC1(C2(O)CCOCC2)CC1)c1ccc(C(F)(F)F)cc1 ZINC001311719657 1069518510 /nfs/dbraw/zinc/51/85/10/1069518510.db2.gz XTTZALFZNYUHOH-LJQANCHMSA-N 0 3 457.537 3.709 20 0 JHADHN C[C@@H](CNC(=O)N1CCN(CC2CCOCC2)CC1)Sc1ccc(Br)cc1 ZINC001311890160 1069599729 /nfs/dbraw/zinc/59/97/29/1069599729.db2.gz ZWEQUSZWSUSWET-INIZCTEOSA-N 0 3 456.450 3.684 20 0 JHADHN CC(C)COc1ccc(C(C)(C)CNC(=O)NC[C@]2(O)CCN(Cc3ccccc3)C2)cc1 ZINC001311923772 1069614687 /nfs/dbraw/zinc/61/46/87/1069614687.db2.gz QIKGLOBZARNLRM-HHHXNRCGSA-N 0 3 453.627 3.935 20 0 JHADHN CC(C)Oc1ccc([C@@H](CNC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(C)C)N(C)C)cc1 ZINC001311943241 1069623691 /nfs/dbraw/zinc/62/36/91/1069623691.db2.gz AYWPIMOELHXAIH-NHCUHLMSSA-N 0 3 450.624 3.925 20 0 JHADHN CCCN(C(=O)N[C@@H](c1cccc(S(C)(=O)=O)c1)c1ccc(C)cc1C)[C@H]1CCN(C)C1 ZINC001311967736 1069641789 /nfs/dbraw/zinc/64/17/89/1069641789.db2.gz KKLWCLIPAKFPIS-URXFXBBRSA-N 0 3 457.640 3.922 20 0 JHADHN CCCN(C(=O)N[C@@H](c1cccc(S(C)(=O)=O)c1)c1ccc(C)cc1C)[C@@H]1CCN(C)C1 ZINC001311967733 1069641866 /nfs/dbraw/zinc/64/18/66/1069641866.db2.gz KKLWCLIPAKFPIS-QPPBQGQZSA-N 0 3 457.640 3.922 20 0 JHADHN CCOc1ccc(-n2c(SCC(=O)NCCN3CCC[C@H]3C)nnc2-c2ccco2)cc1 ZINC001306829115 1069647039 /nfs/dbraw/zinc/64/70/39/1069647039.db2.gz LGIGWIGDPFEQAD-QGZVFWFLSA-N 0 3 455.584 3.619 20 0 JHADHN CN1CCCC(C)(C)[C@H]1CNC(=O)c1ccc2c(c1)[nH]c(=S)n(-c1ccccc1F)c2=O ZINC001306840538 1069654335 /nfs/dbraw/zinc/65/43/35/1069654335.db2.gz WSXYWGGLZZTIOT-HXUWFJFHSA-N 0 3 454.571 3.664 20 0 JHADHN CCOc1ccccc1[C@@](N)(C(=O)NC[C@@H](c1ccc(SC)cc1)N(C)C)C(F)(F)F ZINC001306849520 1069658393 /nfs/dbraw/zinc/65/83/93/1069658393.db2.gz URYDNDCPHGAWIE-GHTZIAJQSA-N 0 3 455.546 3.943 20 0 JHADHN COC(=O)[C@@H]1CN(C(=O)N[C@@H](CN2CCCCC2)c2ccccc2)C[C@H]1c1ccc(O)cc1 ZINC001312013515 1069670252 /nfs/dbraw/zinc/67/02/52/1069670252.db2.gz UTWJYCSRJFVRFP-VXNXHJTFSA-N 0 3 451.567 3.517 20 0 JHADHN CCOc1ccc(-c2nnc(N3C[C@@H](C)N(CC)C[C@H]3C)n2CC2(O)CCCCC2)cc1OC ZINC001314168647 1069673195 /nfs/dbraw/zinc/67/31/95/1069673195.db2.gz QVJHJWGYCQVMPE-WOJBJXKFSA-N 0 3 471.646 3.967 20 0 JHADHN CCOc1ccc(-c2nnc(N3CCC(C)CC3)n2C[C@H](C)N2CCN(CC)CC2)cc1OC ZINC001314170660 1069681719 /nfs/dbraw/zinc/68/17/19/1069681719.db2.gz RGILQXUXZRETQJ-NRFANRHFSA-N 0 3 470.662 3.615 20 0 JHADHN CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]2CN(C(=O)NC[C@H]3CCCN3Cc3ccccc3)C[C@H]21 ZINC001312026284 1069679541 /nfs/dbraw/zinc/67/95/41/1069679541.db2.gz RYBXFBZQUJMOOC-SSGKUCQKSA-N 0 3 456.631 3.986 20 0 JHADHN CCOc1ccc(-c2nnc(N3CC[C@@H](C(C)C)C3)n2C[C@H](C)N2CCN(CC)CC2)cc1OC ZINC001314172425 1069689403 /nfs/dbraw/zinc/68/94/03/1069689403.db2.gz HOYWBPFWTVZFGN-JTHBVZDNSA-N 0 3 484.689 3.861 20 0 JHADHN C[C@@H]1CN(C(=O)N[C@@H](COCc2ccccc2)c2ccccc2)CC[C@@H]1N1CCN(C)CC1 ZINC001312044860 1069690233 /nfs/dbraw/zinc/69/02/33/1069690233.db2.gz NFHZNZLPBQIJGB-RZFJZAQRSA-N 0 3 450.627 3.612 20 0 JHADHN C[C@H](CCN1CCN(C)CC1)NC(=O)NCC(C)(C)Sc1ccc(Br)cc1 ZINC001312095389 1069717834 /nfs/dbraw/zinc/71/78/34/1069717834.db2.gz ONSOTZUWHLNBPC-MRXNPFEDSA-N 0 3 457.482 3.645 20 0 JHADHN CCOc1ccc(O[C@H](C)c2nnc(N3CCN(C(C)(C)C)CC3)n2CCC(C)(C)O)cc1 ZINC001314195639 1069771083 /nfs/dbraw/zinc/77/10/83/1069771083.db2.gz DSLYOLUDCLJPNW-LJQANCHMSA-N 0 3 459.635 3.898 20 0 JHADHN CCCN1CC[C@@H](Cn2c(CSc3ccc(Cl)cc3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)C1 ZINC001307047592 1069789671 /nfs/dbraw/zinc/78/96/71/1069789671.db2.gz VXGFMCHIPQAJSL-YLJYHZDGSA-N 0 3 498.118 3.579 20 0 JHADHN O=C(CN1CCCC1)N1CCN(C(=O)NCc2ccc(-c3ccc(Cl)cc3)cc2F)CC1 ZINC001312235430 1069798307 /nfs/dbraw/zinc/79/83/07/1069798307.db2.gz UMLUXJYIIRZTBY-UHFFFAOYSA-N 0 3 458.965 3.596 20 0 JHADHN CCCN1CCCC[C@@H]1Cn1c([C@@H]2CCCOC2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 ZINC001307058993 1069841897 /nfs/dbraw/zinc/84/18/97/1069841897.db2.gz RRHBKFXPJASJCZ-RTBURBONSA-N 0 3 471.568 3.784 20 0 JHADHN CCCN1CCCC[C@@H]1Cn1c(-c2c[nH]c3ccccc23)nnc1N(CC)CCS(C)(=O)=O ZINC001307064010 1069864760 /nfs/dbraw/zinc/86/47/60/1069864760.db2.gz ZKGRMSCKZIOWHC-LJQANCHMSA-N 0 3 472.659 3.562 20 0 JHADHN C[C@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N1CCCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC001312457784 1069951407 /nfs/dbraw/zinc/95/14/07/1069951407.db2.gz VPDZCKUVEYOYAK-WMZHIEFXSA-N 0 3 455.002 3.718 20 0 JHADHN CCO[C@@H]1C[C@H](N(C)c2nnc(CC(C)(C)C)n2C[C@@H](C)N2CCN(CC)CC2)C12CCC2 ZINC001314249416 1069974325 /nfs/dbraw/zinc/97/43/25/1069974325.db2.gz KPKRGQVPGGCXPF-BHIFYINESA-N 0 3 460.711 3.677 20 0 JHADHN O=C(NC[C@H]1CN(Cc2ccccc2)CCCO1)N1CCC(Oc2ccc(F)cc2F)CC1 ZINC001312501276 1069976754 /nfs/dbraw/zinc/97/67/54/1069976754.db2.gz UEZXNJAKFPPYQE-QFIPXVFZSA-N 0 3 459.537 3.809 20 0 JHADHN CN(CCC(=O)Nc1ccc(C(N)=O)c(Cl)c1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC001307425806 1069978895 /nfs/dbraw/zinc/97/88/95/1069978895.db2.gz PADTVTROSFGMTE-HKUYNNGSSA-N 0 3 456.757 3.664 20 0 JHADHN CN(C(=O)OC(C)(C)C)C1CCN(C[C@H]2C[C@@]3(CCN(C(=O)OC(C)(C)C)C3)CO2)CC1 ZINC001307461953 1069999948 /nfs/dbraw/zinc/99/99/48/1069999948.db2.gz MQORLRWTOXOKND-NTKDMRAZSA-N 0 3 453.624 3.734 20 0 JHADHN O=C(CN1CCC[C@]2(CC=CCC2)C1)NCCN1C(=O)S/C(=C\c2ccccc2F)C1=O ZINC001307469236 1070003431 /nfs/dbraw/zinc/00/34/31/1070003431.db2.gz HRTZNCNMXGQIDZ-UJWNWPGJSA-N 0 3 457.571 3.801 20 0 JHADHN CCN1CCN(c2ccc(NC(=O)CN3CCC[C@H](C(=O)c4ccc(F)cc4)C3)cc2)CC1 ZINC001307486378 1070011936 /nfs/dbraw/zinc/01/19/36/1070011936.db2.gz GXDGUABQIRVYJT-NRFANRHFSA-N 0 3 452.574 3.501 20 0 JHADHN CCO[C@H]1CCCN(c2nnc(C(C)(C)C)n2C[C@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC001314268373 1070020430 /nfs/dbraw/zinc/02/04/30/1070020430.db2.gz NDHLWXBDPVWVHH-XZOQPEGZSA-N 0 3 455.647 3.872 20 0 JHADHN CO[C@H](C)c1nc(CN2CCCN(C[C@H](O)Cc3ccc(C(F)(F)F)cc3)CC2)cs1 ZINC001307510156 1070026825 /nfs/dbraw/zinc/02/68/25/1070026825.db2.gz NTEKYBIIQCKQFA-OXQOHEQNSA-N 0 3 457.562 3.981 20 0 JHADHN C[C@@H]1CN(c2ccc(NC(=O)CN(C)[C@@H]3CCCN(Cc4ccccc4)C3)cc2)C[C@H](C)O1 ZINC001307525200 1070033877 /nfs/dbraw/zinc/03/38/77/1070033877.db2.gz BRBKCXXWYHOHIX-TVZXLZGTSA-N 0 3 450.627 3.835 20 0 JHADHN C[C@H]1Oc2ccc(C(=O)C3CCN(C[C@H]4CCN(C(=O)OC(C)(C)C)C4)CC3)cc2NC1=O ZINC001307546833 1070046072 /nfs/dbraw/zinc/04/60/72/1070046072.db2.gz UFAXYWNQQREXBS-IAGOWNOFSA-N 0 3 457.571 3.558 20 0 JHADHN O=C(Nc1ccc(Br)cn1)[C@@H]1CCCN(CCCn2c(=O)[nH]c3ccccc32)C1 ZINC001307571378 1070057210 /nfs/dbraw/zinc/05/72/10/1070057210.db2.gz HKFKDDGLDVSLHB-OAHLLOKOSA-N 0 3 458.360 3.640 20 0 JHADHN C[C@@H]1CN(CC(=O)N[C@H](c2ccccc2)c2ccc3[nH]c(C(F)(F)F)nc3c2)[C@@H](C)CN1C ZINC001307590873 1070070070 /nfs/dbraw/zinc/07/00/70/1070070070.db2.gz YGRZUWMVHLGIBA-ZMPRRUGASA-N 0 3 459.516 3.812 20 0 JHADHN C[C@@H]1CN(CC(=O)N[C@H](c2ccccc2)c2ccc3nc(C(F)(F)F)[nH]c3c2)[C@@H](C)CN1C ZINC001307590873 1070070092 /nfs/dbraw/zinc/07/00/92/1070070092.db2.gz YGRZUWMVHLGIBA-ZMPRRUGASA-N 0 3 459.516 3.812 20 0 JHADHN CCOCc1ccccc1Cn1c([C@H](C)CC)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 ZINC001314294391 1070077142 /nfs/dbraw/zinc/07/71/42/1070077142.db2.gz BFHMIGAJXVGQLN-TVZXLZGTSA-N 0 3 496.700 3.755 20 0 JHADHN Cc1cccc(COc2ccc([C@H](C)N[C@@H](C)C(=O)N3CCN(c4ncccn4)CC3)cc2)c1 ZINC001307610049 1070080614 /nfs/dbraw/zinc/08/06/14/1070080614.db2.gz GPQSUTJWCLIFTL-VXKWHMMOSA-N 0 3 459.594 3.752 20 0 JHADHN CC(C)(C)[C@H](COc1ccccc1F)NCC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl ZINC001307617568 1070083213 /nfs/dbraw/zinc/08/32/13/1070083213.db2.gz SXNICUWAHJMRES-IBGZPJMESA-N 0 3 456.967 3.904 20 0 JHADHN CC(C)Oc1ccc([C@H](CNC(=O)N[C@@H]2C[C@@H](OC(C)(C)C)[C@@H]2n2cccn2)N(C)C)cc1 ZINC001312711081 1070089651 /nfs/dbraw/zinc/08/96/51/1070089651.db2.gz VLQPYOKCVFFKQR-KAOXLYBCSA-N 0 3 457.619 3.770 20 0 JHADHN CC[C@H](NCCC(=O)N[C@@H](c1cccs1)c1ccccc1)c1cccc(S(N)(=O)=O)c1 ZINC001307632745 1070092300 /nfs/dbraw/zinc/09/23/00/1070092300.db2.gz KYTYMRPAMFIIKN-NZQKXSOJSA-N 0 3 457.621 3.732 20 0 JHADHN CC1(C)Cc2c(cccc2Br)[C@@H]1NC(=O)N1CCN(CC2CCOCC2)CC1 ZINC001312771791 1070113656 /nfs/dbraw/zinc/11/36/56/1070113656.db2.gz YYNBJJLQZNKDIH-FQEVSTJZSA-N 0 3 450.421 3.826 20 0 JHADHN CC(=O)Nc1c[nH]nc1[C@H]1CCCN(CCC(=O)N[C@H](c2cccs2)c2ccccc2)C1 ZINC001307671815 1070115518 /nfs/dbraw/zinc/11/55/18/1070115518.db2.gz HPIFMVSFQQILHA-CYFREDJKSA-N 0 3 451.596 3.905 20 0 JHADHN COc1cc(NC(=O)c2ccccc2)c(OC)cc1NC(=O)CN([C@H](C)CO)C1CCCC1 ZINC001307684102 1070123818 /nfs/dbraw/zinc/12/38/18/1070123818.db2.gz KDIIKGZNFNYUSJ-QGZVFWFLSA-N 0 3 455.555 3.520 20 0 JHADHN C[C@@H]1[C@H](NC(=O)N[C@@H](CCO)c2cccc(OC(F)(F)F)c2)CCN1Cc1ccccc1 ZINC001312815626 1070138828 /nfs/dbraw/zinc/13/88/28/1070138828.db2.gz MLQRAXPCECRBMN-HBGVWJBISA-N 0 3 451.489 3.971 20 0 JHADHN C[C@@H]1[C@@H](NC(=O)N[C@H](CCO)c2cccc(OC(F)(F)F)c2)CCN1Cc1ccccc1 ZINC001312815628 1070138858 /nfs/dbraw/zinc/13/88/58/1070138858.db2.gz MLQRAXPCECRBMN-TYCQWZJGSA-N 0 3 451.489 3.971 20 0 JHADHN CCOCc1nnc(N2CC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)n1C[C@@H](c1ccccc1)N(C)C ZINC001314342643 1070144196 /nfs/dbraw/zinc/14/41/96/1070144196.db2.gz WCNYQHWMTUTBIF-UNMCSNQZSA-N 0 3 486.661 3.811 20 0 JHADHN CCN1C(=S)N=NC1CCNC(=O)N1CCN(CCCc2ccccc2)C[C@H]1CC(C)C ZINC001312834944 1070146559 /nfs/dbraw/zinc/14/65/59/1070146559.db2.gz AKTZPRJVCNWUNL-OAQYLSRUSA-N 0 3 458.676 3.504 20 0 JHADHN CCS(=O)(=O)c1ccc([C@H](C)NCCC(=O)Nc2c(C)nn(-c3ccccc3)c2C)cc1 ZINC001307759777 1070171215 /nfs/dbraw/zinc/17/12/15/1070171215.db2.gz ANLVGIOKQZLIIO-KRWDZBQOSA-N 0 3 454.596 3.962 20 0 JHADHN CCOCc1nnc(N2CCC[C@H](OCC(F)(F)F)C2)n1C[C@H](c1cccs1)N(C)C ZINC001314372280 1070209167 /nfs/dbraw/zinc/20/91/67/1070209167.db2.gz OZOJGBJMXNMTLV-JKSUJKDBSA-N 0 3 461.554 3.727 20 0 JHADHN Cc1cc(C)c(NC(=O)CNC(=O)CN2C[C@H](C)N(Cc3ccccc3)[C@@H](C)[C@@H]2C)c(C)c1 ZINC001307893086 1070228292 /nfs/dbraw/zinc/22/82/92/1070228292.db2.gz FXXDRXPMQFYEPB-VABKMULXSA-N 0 3 450.627 3.650 20 0 JHADHN CCOCc1nnc(N2CCN([C@@H](C)c3nccs3)CC2)n1C[C@@H](c1ccc(F)cc1)N(C)C ZINC001314391253 1070245923 /nfs/dbraw/zinc/24/59/23/1070245923.db2.gz WDPBTPWJGHZHAN-RXVVDRJESA-N 0 3 487.649 3.596 20 0 JHADHN Cc1cc(C)c(NC(=O)CNC(=O)CN2CCN(Cc3ccccc3)[C@H](C(C)C)C2)c(C)c1 ZINC001307931989 1070247716 /nfs/dbraw/zinc/24/77/16/1070247716.db2.gz ZHHFDPNEWQUFSV-DEOSSOPVSA-N 0 3 450.627 3.509 20 0 JHADHN CCN(CCOC)c1cccc(CN2CCC([C@H]3CCCN(C(=O)C(F)(F)F)C3)CC2)n1 ZINC001307942420 1070252195 /nfs/dbraw/zinc/25/21/95/1070252195.db2.gz WFOMOJRLOALJKF-IBGZPJMESA-N 0 3 456.553 3.567 20 0 JHADHN Cc1cc(CN2CCC(c3nc(CNC(=O)OCc4ccccc4)n[nH]3)CC2)cc(Cl)n1 ZINC001307962569 1070260183 /nfs/dbraw/zinc/26/01/83/1070260183.db2.gz TVSQYSZZGSEIFF-UHFFFAOYSA-N 0 3 454.962 3.968 20 0 JHADHN CSc1ccccc1NC(=O)CCN1C[C@@H](C(=O)OC(C)(C)C)C[C@@H](c2cnn(C)c2)C1 ZINC001308012012 1070279204 /nfs/dbraw/zinc/27/92/04/1070279204.db2.gz JPKOEUJNLWVNPT-MSOLQXFVSA-N 0 3 458.628 3.918 20 0 JHADHN CCOC(=O)c1c(-c2ccc(OC)c(OC)c2)csc1NC(=O)CN[C@]12CCC[C@H]1OCC2 ZINC001308030869 1070286275 /nfs/dbraw/zinc/28/62/75/1070286275.db2.gz LVOIBNBWGDSTCY-DVECYGJZSA-N 0 3 474.579 3.849 20 0 JHADHN C[C@H]1CN(CC2CCN(C(=O)OC(C)(C)C)CC2)C[C@@]2(CCN(C(=O)OC(C)(C)C)C2)O1 ZINC001308049658 1070292732 /nfs/dbraw/zinc/29/27/32/1070292732.db2.gz BBGRCJOKQTVCDG-MHECFPHRSA-N 0 3 453.624 3.734 20 0 JHADHN CCC[C@](C)(NCC(=O)NCCN1C(=O)S/C(=C\c2cccnc2)C1=O)c1ccccc1 ZINC001308155347 1070330628 /nfs/dbraw/zinc/33/06/28/1070330628.db2.gz YFBMTWFDHLOIIR-ZTTNJJDWSA-N 0 3 452.580 3.539 20 0 JHADHN 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CCN(CC)c1ccc(Cn2c(N3C[C@H](C)N(CC)C[C@@H]3C)nnc2[C@]2(OC(C)C)CCOC2)cn1 ZINC001313679709 1070934984 /nfs/dbraw/zinc/93/49/84/1070934984.db2.gz RCBFLZQWICOVKO-BERHBOFZSA-N 0 3 499.704 3.527 20 0 JHADHN CCN(CC)[C@@H](Cn1c(Cc2cccnc2)nnc1N1CCC[C@@H](NC(C)=O)C1)c1ccsc1 ZINC001313681774 1070942120 /nfs/dbraw/zinc/94/21/20/1070942120.db2.gz ZRENHWHRSDAEIG-PKTZIBPZSA-N 0 3 481.670 3.513 20 0 JHADHN CN(C)[C@@H](Cn1c(CC2CC2)nnc1N(C)Cc1ccc([S@@](C)=O)cc1)c1cccs1 ZINC001314737431 1070966368 /nfs/dbraw/zinc/96/63/68/1070966368.db2.gz MSNFSCTWQZMEOL-PKHCJMHPSA-N 0 3 457.669 3.969 20 0 JHADHN CCN(CC)CC(=O)N1CCN(c2nnc(Cc3ccsc3)n2C[C@H](SC)C(C)(C)C)CC1 ZINC001313698490 1070970941 /nfs/dbraw/zinc/97/09/41/1070970941.db2.gz FBMIDRVYZRTXBF-FQEVSTJZSA-N 0 3 492.759 3.699 20 0 JHADHN CCN(CC)CC(=O)N1CCN(c2nnc(CSc3ccc(Cl)cc3)n2C[C@@H]2C[C@H]2C)CC1 ZINC001313698800 1070971921 /nfs/dbraw/zinc/97/19/21/1070971921.db2.gz MRGVVOHMRPZRQV-MOPGFXCFSA-N 0 3 491.105 3.870 20 0 JHADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccc(Cl)cc3)n2C[C@@H]2CC=CCC2)CC1 ZINC001313699133 1070972605 /nfs/dbraw/zinc/97/26/05/1070972605.db2.gz IMOQOCTUKFFOKY-HXUWFJFHSA-N 0 3 471.049 3.945 20 0 JHADHN CC1(N2CCC2)CCN(S(=O)(=O)c2csc(-c3ccc(Br)cc3)n2)CC1 ZINC001309799123 1070972952 /nfs/dbraw/zinc/97/29/52/1070972952.db2.gz FRVMYBBMULCNSL-UHFFFAOYSA-N 0 3 456.431 3.822 20 0 JHADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CC(C)(C)OC)CC1 ZINC001313699513 1070974262 /nfs/dbraw/zinc/97/42/62/1070974262.db2.gz LGMZGVLOGHPVPP-UHFFFAOYSA-N 0 3 484.689 3.658 20 0 JHADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccc(C)o3)n2CC2(CC(C)C)CC2)CC1 ZINC001313699867 1070975403 /nfs/dbraw/zinc/97/54/03/1070975403.db2.gz QPWSCQYJFYDHPU-UHFFFAOYSA-N 0 3 456.635 3.663 20 0 JHADHN CCN(CC)CC(=O)N1CCN(c2nnc(C(C)(C)C)n2C[C@H](OC)c2ccc(Cl)cc2)CC1 ZINC001313700965 1070978829 /nfs/dbraw/zinc/97/88/29/1070978829.db2.gz OTTVWNARNPKJDX-NRFANRHFSA-N 0 3 491.080 3.607 20 0 JHADHN CN(Cc1cccc(OC(F)F)c1)c1nnc(C(C)(C)C)n1CCN1CCN(C)C(C)(C)C1 ZINC001314742896 1070982821 /nfs/dbraw/zinc/98/28/21/1070982821.db2.gz BDWPWSNPZNGCAE-UHFFFAOYSA-N 0 3 464.605 3.839 20 0 JHADHN CN(Cc1cccc(Cl)c1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCN(C)C1CCCCC1 ZINC001314744646 1070986531 /nfs/dbraw/zinc/98/65/31/1070986531.db2.gz IDGWVRBQPYYUQO-LJQANCHMSA-N 0 3 480.078 3.735 20 0 JHADHN CCN(CC)CC(=O)N1CCN(c2nnc(CC(C)C)n2C[C@@H](C)c2ccc(C)cc2)CC1 ZINC001313705260 1070993177 /nfs/dbraw/zinc/99/31/77/1070993177.db2.gz SXNUCOXWRHTBJP-JOCHJYFZSA-N 0 3 454.663 3.579 20 0 JHADHN O=S(=O)(c1cc(F)ccc1Br)N1C[C@H]2CCN(Cc3ccccc3)C[C@H]2C1 ZINC001309871679 1071001448 /nfs/dbraw/zinc/00/14/48/1071001448.db2.gz PMGDJOBGRUGNBG-SJORKVTESA-N 0 3 453.377 3.731 20 0 JHADHN CN(Cc1ccccc1F)c1nnc(C(=O)Nc2ccccn2)n1CCN1CCCC(C)(C)C1 ZINC001314752333 1071005577 /nfs/dbraw/zinc/00/55/77/1071005577.db2.gz LCKJSUMKBZKHDW-UHFFFAOYSA-N 0 3 465.577 3.823 20 0 JHADHN CCN(Cc1c(F)cccc1F)c1nnc(C(=O)N2CCCC2)n1CCN1CCC[C@@H](C)C1 ZINC001313726900 1071035774 /nfs/dbraw/zinc/03/57/74/1071035774.db2.gz SRKXAFOZNQJDKY-GOSISDBHSA-N 0 3 460.573 3.551 20 0 JHADHN CN(C)[C@H](Cn1c(-c2cccn2C)nnc1N(C)Cc1ncc(Cl)n1C)c1cccc(F)c1 ZINC001314773402 1071042066 /nfs/dbraw/zinc/04/20/66/1071042066.db2.gz BSCHJZMSARLICL-LJQANCHMSA-N 0 3 470.984 3.749 20 0 JHADHN CN(Cc1ncnn1CC(F)F)c1nnc(C(C)(C)C)n1CC(C)(C)N1CCc2ccccc2C1 ZINC001314777914 1071051404 /nfs/dbraw/zinc/05/14/04/1071051404.db2.gz QVINYICJYBUDNC-UHFFFAOYSA-N 0 3 486.615 3.906 20 0 JHADHN CCN1CCN(c2ccc(NC(=O)N[C@H](c3nccn3C)c3ccc(F)c(F)c3)cc2)CC1 ZINC001310035949 1071075330 /nfs/dbraw/zinc/07/53/30/1071075330.db2.gz GNQBVZMOZMRRFT-QFIPXVFZSA-N 0 3 454.525 3.751 20 0 JHADHN CCN1CCN(c2ccc(NC(=O)NC[C@@]3(C)CCCN(C(=O)OC(C)(C)C)C3)cc2)CC1 ZINC001310037755 1071076528 /nfs/dbraw/zinc/07/65/28/1071076528.db2.gz YEUMXLSHUSIIOO-RUZDIDTESA-N 0 3 459.635 3.987 20 0 JHADHN CCN(Cc1cccs1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](c1cccc(OC)c1)N(C)C ZINC001313749405 1071080211 /nfs/dbraw/zinc/08/02/11/1071080211.db2.gz 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JHADHN CCN(C(=O)Nc1cc(Br)ccc1I)[C@H]1CCN(C)C1 ZINC001310183191 1071189404 /nfs/dbraw/zinc/18/94/04/1071189404.db2.gz BKOCCTZVFTVJKH-NSHDSACASA-N 0 3 452.134 3.612 20 0 JHADHN CCN(CCn1c(-c2cccc(Cl)c2)nnc1N1CCCN(C(C)=O)CC1)CCC(F)(F)F ZINC001313803478 1071211344 /nfs/dbraw/zinc/21/13/44/1071211344.db2.gz RGJRNASGJBZMSB-UHFFFAOYSA-N 0 3 486.970 3.931 20 0 JHADHN CCN(C(=O)Nc1ccc(CCN2CCSCC2)cc1)[C@@H]1CCN(c2ccccc2)C1=O ZINC001310217151 1071214403 /nfs/dbraw/zinc/21/44/03/1071214403.db2.gz DCSPQNLKWOGHAH-HSZRJFAPSA-N 0 3 452.624 3.937 20 0 JHADHN CCN(CCn1c(-c2ccc3c(c2)OCO3)nnc1N1CCOC(C)(C)[C@H]1C)CCC(F)(F)F ZINC001313807044 1071227337 /nfs/dbraw/zinc/22/73/37/1071227337.db2.gz AGGZJMFIWJYUPU-MRXNPFEDSA-N 0 3 483.535 3.952 20 0 JHADHN CCN(CCn1c(-c2ccccc2Cl)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1)CCC(F)(F)F ZINC001313808450 1071233428 /nfs/dbraw/zinc/23/34/28/1071233428.db2.gz OQAJRMHHQSGYKD-QFBILLFUSA-N 0 3 498.981 3.930 20 0 JHADHN CCN(CCn1c(-c2noc3c2COCC3)nnc1N1C[C@H](C)CC[C@H]1C)CCC(F)(F)F 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PGZNFZKJVIMZAY-VQTJNVASSA-N 0 3 498.672 3.720 20 0 JHADHN CN1CCN(CCn2c(COc3ccccc3F)nnc2N2CCC(C(F)(F)F)CC2)CC1(C)C ZINC001314931382 1071375542 /nfs/dbraw/zinc/37/55/42/1071375542.db2.gz SFHLGZGUJVCROC-UHFFFAOYSA-N 0 3 498.569 3.801 20 0 JHADHN CCN1C[C@H](C)N(c2nnc([C@@H](C)Oc3ccccc3F)n2CCN(C)CC(F)(F)F)C[C@H]1C ZINC001313863835 1071383211 /nfs/dbraw/zinc/38/32/11/1071383211.db2.gz UDJDGRMENDEUGA-FGTMMUONSA-N 0 3 486.558 3.970 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(-c3cc(OC)ccc3Br)n2CCc2cn[nH]c2)C[C@H]1C ZINC001313863562 1071382540 /nfs/dbraw/zinc/38/25/40/1071382540.db2.gz WHPHTESNQFFPDY-HZPDHXFCSA-N 0 3 488.434 3.601 20 0 JHADHN CCN1C[C@H](C)N(c2nnc([C@@H](C)OCCOC)n2Cc2cccc(C(F)(F)F)c2)C[C@@H]1C ZINC001313862772 1071378105 /nfs/dbraw/zinc/37/81/05/1071378105.db2.gz RJPHEXPGPHBFDW-OKZBNKHCSA-N 0 3 469.552 3.988 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCC(F)(F)F)C[C@@H]1C ZINC001313862670 1071378635 /nfs/dbraw/zinc/37/86/35/1071378635.db2.gz UEWBYIXBVGJRRP-HOTGVXAUSA-N 0 3 473.565 3.610 20 0 JHADHN CCN1C[C@H](C)N(c2nnc([C@H](C)Oc3cccc(C)c3C)n2Cc2ccn(C)n2)C[C@@H]1C ZINC001313863233 1071380389 /nfs/dbraw/zinc/38/03/89/1071380389.db2.gz SFSBPIYXDROUKC-ZJOUEHCJSA-N 0 3 451.619 3.736 20 0 JHADHN CCN1C[C@H](C)N(c2nnc([C@@H](C)Oc3cccc(C)c3C)n2Cc2ccn(C)n2)C[C@@H]1C ZINC001313863231 1071380713 /nfs/dbraw/zinc/38/07/13/1071380713.db2.gz SFSBPIYXDROUKC-IRFCIJBXSA-N 0 3 451.619 3.736 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(-c3ccc4ccccc4n3)n2CCC(=O)NC(C)(C)C)C[C@@H]1C ZINC001313863324 1071381208 /nfs/dbraw/zinc/38/12/08/1071381208.db2.gz CWLWBMYAEQHTAD-RBUKOAKNSA-N 0 3 463.630 3.717 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(C3CCC3)n2Cc2c(Cl)c(C(F)(F)F)nn2C)C[C@H]1C ZINC001313864103 1071385244 /nfs/dbraw/zinc/38/52/44/1071385244.db2.gz LUFYPLFTDSKTMT-CHWSQXEVSA-N 0 3 459.948 3.919 20 0 JHADHN CCN1C[C@H](C)N(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CC2(O)CCOCC2)C[C@H]1C ZINC001313864453 1071386509 /nfs/dbraw/zinc/38/65/09/1071386509.db2.gz VCEZWNZXGVFTPA-CEXWTWQISA-N 0 3 478.037 3.532 20 0 JHADHN CCn1cccc(Cn2c(-c3ccccc3Br)nnc2N2C[C@H](C)N(CC)C[C@H]2C)c1=O ZINC001313865123 1071391316 /nfs/dbraw/zinc/39/13/16/1071391316.db2.gz HWEWVLWNQNBRMY-ZWKOTPCHSA-N 0 3 499.457 3.856 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(CCc3ccccc3)n2Cc2nccc(C(F)F)n2)C[C@@H]1C ZINC001313865475 1071392003 /nfs/dbraw/zinc/39/20/03/1071392003.db2.gz BAFHMHMTNCMBCK-ROUUACIJSA-N 0 3 455.557 3.758 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(CN3CCCC3=O)n2Cc2ccc([C@H](F)C(F)(F)F)cc2)C[C@@H]1C ZINC001313865595 1071393058 /nfs/dbraw/zinc/39/30/58/1071393058.db2.gz BLOAMJWYFZQWGS-HOIFWPIMSA-N 0 3 496.553 3.941 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(-c3cnccn3)n2Cc2cc(Br)cs2)C[C@H]1C ZINC001313865027 1071390010 /nfs/dbraw/zinc/39/00/10/1071390010.db2.gz NOGBQNDTWDVVFU-ZIAGYGMSSA-N 0 3 462.421 3.526 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(-c3cnccn3)n2CC(CC)(CC)NC(=O)OC(C)(C)C)C[C@@H]1C ZINC001313866945 1071397476 /nfs/dbraw/zinc/39/74/76/1071397476.db2.gz RIMXMWYFOWGYOY-RBUKOAKNSA-N 0 3 486.665 3.738 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(CCCc3ccccc3)n2Cc2conc2COC)C[C@H]1C ZINC001313867250 1071400046 /nfs/dbraw/zinc/40/00/46/1071400046.db2.gz ISSDAJNAHVPWKX-UXHICEINSA-N 0 3 452.603 3.555 20 0 JHADHN CCN1C[C@H](C)N(c2nnc([C@@H]3CCCOC3)n2Cc2cc(Cl)c(OC)c(OC)c2)C[C@H]1C ZINC001313867412 1071400102 /nfs/dbraw/zinc/40/01/02/1071400102.db2.gz KGAZRQZGGZYCEU-ZIFCJYIRSA-N 0 3 478.037 3.810 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(-c3ccccn3)n2CCOc2cccc(C(F)(F)F)n2)C[C@@H]1C ZINC001313867706 1071400860 /nfs/dbraw/zinc/40/08/60/1071400860.db2.gz AGQFTZSYNUCRLY-DLBZAZTESA-N 0 3 475.519 3.752 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(CC(C)(C)C)n2Cc2ccc(OC)c(OC)c2OC)C[C@@H]1C ZINC001313868612 1071402392 /nfs/dbraw/zinc/40/23/92/1071402392.db2.gz MKAAYVAJFQNBBX-ROUUACIJSA-N 0 3 459.635 3.860 20 0 JHADHN CNC(=O)C(C)(C)Cn1c(COc2cc(C)ccc2C)nnc1N1CCN(CCC(C)(C)C)CC1 ZINC001314945381 1071402965 /nfs/dbraw/zinc/40/29/65/1071402965.db2.gz RYUUVRJIYJDBPS-UHFFFAOYSA-N 0 3 484.689 3.804 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(Cc3ccccc3OC)n2C[C@@H]2CCO[C@@H]2C(C)C)C[C@@H]1C ZINC001313868166 1071403531 /nfs/dbraw/zinc/40/35/31/1071403531.db2.gz BCGKBUZUPKZWHU-VCWGXOKSSA-N 0 3 455.647 3.858 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3ccc(Cl)cc3F)n2CCNC(=O)C(C)(C)C)C[C@H]1C ZINC001313869028 1071407339 /nfs/dbraw/zinc/40/73/39/1071407339.db2.gz POBZXQZBRCZPHQ-CVEARBPZSA-N 0 3 465.017 3.819 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(-c3ccc(OC)cc3OC)n2CCc2ccccn2)C[C@H]1C ZINC001313869511 1071407484 /nfs/dbraw/zinc/40/74/84/1071407484.db2.gz PVPSWONELRMYRY-RTBURBONSA-N 0 3 450.587 3.519 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(Cc3ccc(Cl)cc3)n2Cc2cccnc2OCCOC)C[C@H]1C ZINC001313869964 1071411531 /nfs/dbraw/zinc/41/15/31/1071411531.db2.gz DFFGYLUZNUDYFE-UXHICEINSA-N 0 3 499.059 3.910 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(-c3cccn3C)n2Cc2ccc(NC(=O)NC(C)C)cc2)C[C@@H]1C ZINC001313870047 1071411585 /nfs/dbraw/zinc/41/15/85/1071411585.db2.gz FBVAEWMMMXHWHH-VQTJNVASSA-N 0 3 478.645 3.781 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(Cc3ccsc3)n2CCNC(=O)c2ccc(C)cc2)C[C@@H]1C ZINC001313870179 1071412222 /nfs/dbraw/zinc/41/22/22/1071412222.db2.gz SUIKDACCVYVCEL-VQTJNVASSA-N 0 3 466.655 3.588 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3ccc(-n4cnnn4)cc3)n2CC(CC)(CC)SC)C[C@H]1C ZINC001313870397 1071413411 /nfs/dbraw/zinc/41/34/11/1071413411.db2.gz RCFYLRGYBGSDJD-MOPGFXCFSA-N 0 3 483.690 3.762 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(CCc3ccc(OC)cc3)n2CCc2nccs2)C[C@H]1C ZINC001313870635 1071414135 /nfs/dbraw/zinc/41/41/35/1071414135.db2.gz VEMCLPKJFTXSRX-RTBURBONSA-N 0 3 454.644 3.690 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(Cc3ccccc3F)n2Cc2ccnc(OC(F)F)c2)C[C@@H]1C ZINC001313870599 1071414274 /nfs/dbraw/zinc/41/42/74/1071414274.db2.gz DZDRHNQFMIVKPV-DLBZAZTESA-N 0 3 474.531 3.972 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(-c3ccc(OC)cc3OC)n2Cc2nccc(C(F)F)n2)C[C@H]1C ZINC001313871554 1071417591 /nfs/dbraw/zinc/41/75/91/1071417591.db2.gz UJZXGAVLKMJGHT-HZPDHXFCSA-N 0 3 487.555 3.657 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(Cc3ccccn3)n2Cc2ccc(OC)c(Cl)c2)C[C@H]1C ZINC001313871781 1071418330 /nfs/dbraw/zinc/41/83/30/1071418330.db2.gz HLYUFJTTZNKCJH-QZTJIDSGSA-N 0 3 455.006 3.893 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(CC(C)(C)C)n2Cc2cc(OC)c(OC)c(OC)c2)C[C@H]1C ZINC001313872824 1071422715 /nfs/dbraw/zinc/42/27/15/1071422715.db2.gz XNRPVYRMVRHFPA-MSOLQXFVSA-N 0 3 459.635 3.860 20 0 JHADHN CCN1C[C@H](C)N(c2nnc([C@H]3CCCOC3)n2Cc2ccc(NC(=O)NC(C)C)cc2)C[C@@H]1C ZINC001313872273 1071421112 /nfs/dbraw/zinc/42/11/12/1071421112.db2.gz VZYTYQVSNLZDQA-ONTIZHBOSA-N 0 3 483.661 3.669 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(COc3ccc(F)cc3)n2C[C@@H]2CCN(CC(F)(F)F)C2)C[C@H]1C ZINC001313872501 1071421960 /nfs/dbraw/zinc/42/19/60/1071421960.db2.gz AXBDWFIZTTXADD-CEXWTWQISA-N 0 3 498.569 3.799 20 0 JHADHN CN(C)[C@@H](CNC(=O)Nc1cnc2c(c1)C[C@H](NC(=O)OC(C)(C)C)CC2)c1ccccc1 ZINC001310482168 1071423783 /nfs/dbraw/zinc/42/37/83/1071423783.db2.gz MINOKSCGMYYOOJ-KNQAVFIVSA-N 0 3 453.587 3.888 20 0 JHADHN Cc1ccc(-n2nc(-c3ccco3)cc2NC(=O)NC(C)(C)CCN2CCN(C)CC2)cc1 ZINC001310485895 1071425994 /nfs/dbraw/zinc/42/59/94/1071425994.db2.gz HWLNFGOKYAFMMQ-UHFFFAOYSA-N 0 3 450.587 3.978 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(Cn3nc(C)cc3C)n2Cc2ccc(OC(F)F)cc2)C[C@@H]1C ZINC001313874038 1071427208 /nfs/dbraw/zinc/42/72/08/1071427208.db2.gz FYQNTZJQDAMGST-RBUKOAKNSA-N 0 3 473.572 3.708 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(Cc3ccc(Cl)cc3)n2CCNC(=O)C(C)(C)C)C[C@H]1C ZINC001313874314 1071427266 /nfs/dbraw/zinc/42/72/66/1071427266.db2.gz NLHPNLGCZACCSM-QZTJIDSGSA-N 0 3 461.054 3.604 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(COc3ccc(Cl)cc3)n2Cc2cc(C)nn2C)C[C@@H]1C ZINC001313874170 1071427842 /nfs/dbraw/zinc/42/78/42/1071427842.db2.gz GJXGYJSSPYDBMC-ROUUACIJSA-N 0 3 458.010 3.520 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(CNC(=O)c3cccs3)n2CCCOC2CCCC2)C[C@@H]1C ZINC001313874742 1071430398 /nfs/dbraw/zinc/43/03/98/1071430398.db2.gz JVQADUFSPKBYIC-RBUKOAKNSA-N 0 3 474.675 3.538 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(CNC(=O)c3cccs3)n2CCc2ccc(F)cc2)C[C@@H]1C ZINC001313876971 1071439885 /nfs/dbraw/zinc/43/98/85/1071439885.db2.gz PSSXOEIMWZCARD-ZWKOTPCHSA-N 0 3 470.618 3.570 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(Cn3nc(C)cc3C)n2Cc2nc(C(C)C)cs2)C[C@H]1C ZINC001313877048 1071439929 /nfs/dbraw/zinc/43/99/29/1071439929.db2.gz QXMSOHNMXQAINA-MOPGFXCFSA-N 0 3 456.664 3.687 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(COc3ccc(C)c(C)c3)n2CCn2cc(Cl)cn2)C[C@@H]1C ZINC001313877016 1071439959 /nfs/dbraw/zinc/43/99/59/1071439959.db2.gz QFPPABMIZZKHTN-PMACEKPBSA-N 0 3 472.037 3.943 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(Cc3ccc(F)cc3)n2CCCN(C)CC(F)(F)F)C[C@@H]1C ZINC001313876130 1071436707 /nfs/dbraw/zinc/43/67/07/1071436707.db2.gz QZMVCUBPUZUBCY-ROUUACIJSA-N 0 3 470.559 3.811 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(COc3cc(C)ccc3C)n2Cc2ccc(OC)nc2)C[C@H]1C ZINC001313876002 1071436760 /nfs/dbraw/zinc/43/67/60/1071436760.db2.gz NQQOZTBMXOZYCC-RTWAWAEBSA-N 0 3 464.614 3.845 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(Cc3ccccn3)n2C[C@H](NC(=O)OC(C)(C)C)C(C)C)C[C@@H]1C ZINC001313878259 1071444581 /nfs/dbraw/zinc/44/45/81/1071444581.db2.gz WDIZOCUYKWCQIK-ONTIZHBOSA-N 0 3 485.677 3.732 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(COc3ccc(Br)cc3)n2C[C@H]2CCCOC2)C[C@@H]1C ZINC001313878342 1071444611 /nfs/dbraw/zinc/44/46/11/1071444611.db2.gz UHRDZQYIOHSZTN-GBESFXJTSA-N 0 3 492.462 3.965 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(Cn3nc(C)cc3C)n2CCCOc2ccc(OC)cc2)C[C@H]1C ZINC001313878787 1071445929 /nfs/dbraw/zinc/44/59/29/1071445929.db2.gz VRLKIABPQCJTDN-YADHBBJMSA-N 0 3 481.645 3.536 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc([C@H]3CCCO3)n2Cc2ccc(I)cc2)C[C@@H]1C ZINC001313885499 1071467272 /nfs/dbraw/zinc/46/72/72/1071467272.db2.gz PGBOHNDCLNSXQI-FRQCXROJSA-N 0 3 495.409 3.701 20 0 JHADHN CCN1C[C@H](C)N(c2nnc([C@H]3OCC[C@H]3COC)n2CC(C)(C)c2ccc(OC)cc2)C[C@H]1C ZINC001313885846 1071468345 /nfs/dbraw/zinc/46/83/45/1071468345.db2.gz QOOCVXCZASZGKR-XBJMDHIQSA-N 0 3 485.673 3.907 20 0 JHADHN CCN1CCCC[C@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)Cc1ccco1 ZINC001313903980 1071517759 /nfs/dbraw/zinc/51/77/59/1071517759.db2.gz GJVYVCFFSQQHHT-FQEVSTJZSA-N 0 3 471.005 3.965 20 0 JHADHN CCN1CCCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1Cc2ccc(Br)cc2C1 ZINC001313906289 1071523530 /nfs/dbraw/zinc/52/35/30/1071523530.db2.gz PJFLMOQGMNTFEU-IBGZPJMESA-N 0 3 475.435 3.573 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(-c3ccc(Br)cc3)nnc2N(C)Cc2ccco2)CC1 ZINC001313921845 1071562715 /nfs/dbraw/zinc/56/27/15/1071562715.db2.gz SZBFJKXWCDSGFA-SFHVURJKSA-N 0 3 487.446 3.963 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(-c3ccc(OC)c(OC)c3)nnc2N2CC[C@@H](CC(C)C)C2)CC1 ZINC001313923885 1071569020 /nfs/dbraw/zinc/56/90/20/1071569020.db2.gz ACCDKUHUNRFMDP-YADHBBJMSA-N 0 3 484.689 3.861 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(-c3cccn3C)nnc2N(Cc2cccc(F)c2)C(C)C)CC1 ZINC001313924242 1071569552 /nfs/dbraw/zinc/56/95/52/1071569552.db2.gz CYJSVWXWCWBGIK-OAQYLSRUSA-N 0 3 467.637 3.864 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(-c3ccccc3C)nnc2N2CCC[C@@](C)(OC)CC2)CC1 ZINC001313924806 1071571564 /nfs/dbraw/zinc/57/15/64/1071571564.db2.gz JCANUUFWULJOHN-ATIYNZHBSA-N 0 3 454.663 3.675 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(-c3ccc(OC)cc3)nnc2N2CCCC[C@H](SC)C2)CC1 ZINC001313925036 1071572059 /nfs/dbraw/zinc/57/20/59/1071572059.db2.gz LIWVEHDABAKMHH-OFNKIYASSA-N 0 3 472.703 3.702 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(-c3ccc(Cl)cc3)nnc2N2C[C@H](C)OC(C)(C)C2)CC1 ZINC001313925205 1071572827 /nfs/dbraw/zinc/57/28/27/1071572827.db2.gz MUOASVZMIZSAMQ-OALUTQOASA-N 0 3 461.054 3.628 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(-c3ccc(Cl)nc3)nnc2N(C)Cc2cc(F)cc(F)c2)CC1 ZINC001313925426 1071573944 /nfs/dbraw/zinc/57/39/44/1071573944.db2.gz QCGLDSOFDCMISZ-QGZVFWFLSA-N 0 3 490.002 3.934 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(Cc3ccccc3OC)nnc2N2CCC[C@H](OC(C)(C)C)C2)CC1 ZINC001313925729 1071574157 /nfs/dbraw/zinc/57/41/57/1071574157.db2.gz BMIJPVNWESIISA-UPVQGACJSA-N 0 3 498.716 3.687 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(-c3ccc(OC(C)C)c(OC)c3)nnc2N2CC=CCC2)CC1 ZINC001313926314 1071576082 /nfs/dbraw/zinc/57/60/82/1071576082.db2.gz XBONBKPBNJNLFS-OAQYLSRUSA-N 0 3 468.646 3.533 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(COc3ccc(C)c(C)c3)nnc2N2CCC[C@H]2CSC)CC1 ZINC001313926184 1071575463 /nfs/dbraw/zinc/57/54/63/1071575463.db2.gz AZXHDZPBHZQLAF-GOTSBHOMSA-N 0 3 486.730 3.832 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(-c3cccc(C)n3)nnc2N(C)C[C@H](C)c2ccccc2)CC1 ZINC001313927723 1071581325 /nfs/dbraw/zinc/58/13/25/1071581325.db2.gz JUAOKIBDSLSTOO-JTHBVZDNSA-N 0 3 461.658 3.914 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(Cc3ccncc3)nnc2N(C)[C@H](C)c2ccc(F)c(F)c2)CC1 ZINC001313927344 1071579805 /nfs/dbraw/zinc/57/98/05/1071579805.db2.gz JSGJBKBUDHOTSM-WOJBJXKFSA-N 0 3 483.611 3.766 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(CC(C)(C)C)nnc2N2CCc3cc(OC)c(OC)cc3CC2)CC1 ZINC001313927725 1071581378 /nfs/dbraw/zinc/58/13/78/1071581378.db2.gz JVOJJWFVJXQRRF-NRFANRHFSA-N 0 3 498.716 3.515 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(COc3cc(C)cc(C)c3)nnc2N(C)CC(C)(C)C)CC1 ZINC001313927857 1071581929 /nfs/dbraw/zinc/58/19/29/1071581929.db2.gz PGFSDFXJMGIHIO-QFIPXVFZSA-N 0 3 456.679 3.982 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(COc3cc(C)ccc3C(C)C)nnc2N2CCO[C@H](C)C2)CC1 ZINC001313927803 1071582073 /nfs/dbraw/zinc/58/20/73/1071582073.db2.gz NKQPVTNGAYJNGG-XZOQPEGZSA-N 0 3 484.689 3.540 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(Cc3ccc(F)cc3)nnc2N2CC[C@H](C(C)(C)C)C2)CC1 ZINC001313928058 1071582487 /nfs/dbraw/zinc/58/24/87/1071582487.db2.gz NFIIVDRNXAYESI-UNMCSNQZSA-N 0 3 456.654 3.906 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(Cc3ccc(F)cc3)nnc2N2CC[C@@H](C(C)(C)C)C2)CC1 ZINC001313928055 1071582627 /nfs/dbraw/zinc/58/26/27/1071582627.db2.gz NFIIVDRNXAYESI-IFMALSPDSA-N 0 3 456.654 3.906 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(COc3cc(C)cc(C)c3)nnc2N2CCS[C@@H](C)[C@H]2C)CC1 ZINC001313929324 1071586624 /nfs/dbraw/zinc/58/66/24/1071586624.db2.gz YYTKTVDVYMMPCZ-ZLNRFVROSA-N 0 3 486.730 3.830 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(Cc3ccccc3C)nnc2N2C[C@@H](C)[C@H](C(F)(F)F)C2)CC1 ZINC001313928895 1071585283 /nfs/dbraw/zinc/58/52/83/1071585283.db2.gz QEUKBOFUSAJWEP-KCZVDYSFSA-N 0 3 478.607 3.838 20 0 JHADHN CCN(c1nnc(COc2ccccc2F)n1C[C@@H](C)N1CCN(CC)CC1)C1CCCC1 ZINC001313929074 1071585882 /nfs/dbraw/zinc/58/58/82/1071585882.db2.gz XHKXNWRBBUYOMJ-HXUWFJFHSA-N 0 3 458.626 3.791 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(Cc3ccccc3F)nnc2N2CCC=C(Br)C2)CC1 ZINC001313930174 1071588784 /nfs/dbraw/zinc/58/87/84/1071588784.db2.gz VJSGIAJDJFFFAT-SFHVURJKSA-N 0 3 491.453 3.523 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(Cc3cccnc3)nnc2N(C)Cc2ccc(Cl)c(F)c2)CC1 ZINC001313931853 1071593602 /nfs/dbraw/zinc/59/36/02/1071593602.db2.gz ZYVGKGDOEMKZKI-IBGZPJMESA-N 0 3 486.039 3.719 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(-c3cccc(C)n3)nnc2N(C)CCCc2ccccc2)CC1 ZINC001313933494 1071597883 /nfs/dbraw/zinc/59/78/83/1071597883.db2.gz ZBSYSMCRBFUNKN-QHCPKHFHSA-N 0 3 461.658 3.744 20 0 JHADHN CCN1CCN([C@@H]2CCN(c3nnc(-c4ccccc4C)n3C[C@H](OC)C(C)(C)C)C2)CC1 ZINC001313945687 1071626694 /nfs/dbraw/zinc/62/66/94/1071626694.db2.gz TWHHXBRJSOMZJR-GGAORHGYSA-N 0 3 454.663 3.531 20 0 JHADHN CCN1CCN(c2nnc(COc3cc(C)ccc3C)n2CCCN2C[C@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC001313943306 1071622656 /nfs/dbraw/zinc/62/26/56/1071622656.db2.gz RKJBYSKDAGNKNV-HJOGWXRNSA-N 0 3 484.689 3.504 20 0 JHADHN CCN1CCN(c2nnc(COc3ccc(C)c(C)c3)n2CCCCn2ccnc2C)C[C@H]1C ZINC001313943461 1071622738 /nfs/dbraw/zinc/62/27/38/1071622738.db2.gz RYNDPMHUHANYJC-JOCHJYFZSA-N 0 3 465.646 3.990 20 0 JHADHN CCN1CCN([C@@H]2CCN(c3nnc(C(C)(C)C)n3Cc3ccc(OC)cc3C(F)(F)F)C2)CC1 ZINC001313944203 1071624419 /nfs/dbraw/zinc/62/44/19/1071624419.db2.gz YRZTXWMEGYNSHU-LJQANCHMSA-N 0 3 494.606 3.868 20 0 JHADHN CCN1CCN([C@H]2CCN(c3nnc(C(C)C)n3C[C@H](OC(C)C)c3ccccc3OC)C2)CC1 ZINC001313944250 1071624520 /nfs/dbraw/zinc/62/45/20/1071624520.db2.gz ZBJCAMXXXJHNCO-DHLKQENFSA-N 0 3 484.689 3.793 20 0 JHADHN CCN1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H](c2ccco2)N(C)C)C[C@H]1C ZINC001313945051 1071625587 /nfs/dbraw/zinc/62/55/87/1071625587.db2.gz GEXNYVOIBKBRDS-NQIIRXRSSA-N 0 3 457.022 3.949 20 0 JHADHN CCN1CCN([C@@H]2CCN(c3nnc(CC(C)(C)C)n3CCOc3ccc(F)c(Cl)c3)C2)CC1 ZINC001313948537 1071634154 /nfs/dbraw/zinc/63/41/54/1071634154.db2.gz RCHGKCWTLOIBKK-LJQANCHMSA-N 0 3 493.071 3.954 20 0 JHADHN CCN1CCN([C@H]2CCN(c3nnc(CC(C)(C)C)n3CCCc3cc(OC)ccc3OC)C2)CC1 ZINC001313949169 1071635929 /nfs/dbraw/zinc/63/59/29/1071635929.db2.gz VOSQZIGJBNTXKS-QHCPKHFHSA-N 0 3 498.716 3.733 20 0 JHADHN CCN1CCN([C@@H]2CCN(c3nnc(Cc4ccc(Cl)cc4)n3C[C@@H](OC)C(C)(C)C)C2)CC1 ZINC001313949669 1071636996 /nfs/dbraw/zinc/63/69/96/1071636996.db2.gz NRKCOVFGENWZNC-DHIUTWEWSA-N 0 3 489.108 3.800 20 0 JHADHN CCN1CCN(C[C@@H](C)Cn2c([C@H]3CCCOC3)nnc2N2CC=C(C(C)(C)C)CC2)CC1 ZINC001313951664 1071643057 /nfs/dbraw/zinc/64/30/57/1071643057.db2.gz ATYMSHGLTRXPFH-YADHBBJMSA-N 0 3 458.695 3.628 20 0 JHADHN CCN1CCN(C[C@@H](C)Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CC=C(C)CC2)CC1 ZINC001313952951 1071647239 /nfs/dbraw/zinc/64/72/39/1071647239.db2.gz VIHUBOVCXFTNSR-DNVJHFABSA-N 0 3 458.695 3.627 20 0 JHADHN CCN1CCN(C[C@@H](C)Cn2c([C@H]3CCCO3)nnc2N(C)Cc2ccccc2SC)CC1 ZINC001313953310 1071648434 /nfs/dbraw/zinc/64/84/34/1071648434.db2.gz XLDGHYRATVPWHN-IFMALSPDSA-N 0 3 472.703 3.762 20 0 JHADHN CCN1CCN(C[C@H](C)Cn2c([C@@H]3CCCCO3)nnc2N(C)[C@@H](C)c2ccccc2)CC1 ZINC001313954255 1071651235 /nfs/dbraw/zinc/65/12/35/1071651235.db2.gz MNLJKNQGIPLDDE-FIXSFTCYSA-N 0 3 454.663 3.991 20 0 JHADHN CCN1CCN(C[C@@H](C)Cn2c(Cc3ccccc3OC)nnc2N2CC[C@](C)(CC)C2)CC1 ZINC001313954700 1071652559 /nfs/dbraw/zinc/65/25/59/1071652559.db2.gz CAORXEDJVSZDSA-AMGIVPHBSA-N 0 3 468.690 3.778 20 0 JHADHN CCN1CCN(C[C@H](C)Cn2c(C3CCC3)nnc2N(C)[C@@H](C)c2ccc([S@](C)=O)cc2)CC1 ZINC001313954836 1071652841 /nfs/dbraw/zinc/65/28/41/1071652841.db2.gz QCXJQXBCQKDUGF-XZXRPQQYSA-N 0 3 486.730 3.754 20 0 JHADHN CCN1CCN(C[C@@H](C)Cn2c(C3CCCC3)nnc2N2CCO[C@](C)(C(C)(C)C)C2)CC1 ZINC001313954830 1071652922 /nfs/dbraw/zinc/65/29/22/1071652922.db2.gz QCULZOITKOAOTC-RLWLMLJZSA-N 0 3 460.711 3.851 20 0 JHADHN CCN1CCN(C[C@H](C)Cn2c(COc3cccc(C)c3)nnc2N2CC[C@H](C)[C@@H]2C)CC1 ZINC001313956470 1071658180 /nfs/dbraw/zinc/65/81/80/1071658180.db2.gz MQUUZMQMLGMPAZ-VABKMULXSA-N 0 3 454.663 3.674 20 0 JHADHN CCN1CCN(C[C@@H](C)Cn2c(Cc3ccncc3)nnc2N(C)Cc2ccccc2Cl)CC1 ZINC001313956871 1071658740 /nfs/dbraw/zinc/65/87/40/1071658740.db2.gz OEJYBEHNGXEQHL-OAQYLSRUSA-N 0 3 482.076 3.827 20 0 JHADHN CCN1CCN(C[C@@H](C)Cn2c(Cc3ccccc3F)nnc2N2CC(C)(C)OC(C)(C)C2)CC1 ZINC001313956838 1071658846 /nfs/dbraw/zinc/65/88/46/1071658846.db2.gz NVWKEFYSZXELDS-OAQYLSRUSA-N 0 3 486.680 3.675 20 0 JHADHN CCN1CCN(CCCn2c(CC(C)(C)C)nnc2N2CCO[C@H](CCc3ccccc3)C2)CC1 ZINC001313957529 1071660669 /nfs/dbraw/zinc/66/06/69/1071660669.db2.gz VYELVMCVMIQWFZ-RUZDIDTESA-N 0 3 482.717 3.732 20 0 JHADHN CCN1CCN(CCCn2c(N3CC[C@H](c4ccc(OC)cc4)C3)nnc2C(C)(C)C)CC1 ZINC001313958461 1071663994 /nfs/dbraw/zinc/66/39/94/1071663994.db2.gz CGADYOMKZHOQIF-QFIPXVFZSA-N 0 3 454.663 3.606 20 0 JHADHN CCN1CCN(C[C@@H](C)Cn2c(CC(C)(C)C)nnc2N(C)CC(=O)Nc2cccc(C)c2C)CC1 ZINC001313958792 1071664571 /nfs/dbraw/zinc/66/45/71/1071664571.db2.gz YBGKMBYLEKULAL-OAQYLSRUSA-N 0 3 497.732 3.832 20 0 JHADHN CCN1CCN(CCCn2c(COc3cc(C)cc(C)c3)nnc2N2CC[C@@H](C)[C@H]2C)CC1 ZINC001313960789 1071670952 /nfs/dbraw/zinc/67/09/52/1071670952.db2.gz MPWLMDKGRNCHST-DHIUTWEWSA-N 0 3 454.663 3.736 20 0 JHADHN CCN1CCN(CCCn2c(COc3cc(C)cc(C)c3)nnc2N2CC[C@H](C)[C@@H]2C)CC1 ZINC001313960790 1071671061 /nfs/dbraw/zinc/67/10/61/1071671061.db2.gz MPWLMDKGRNCHST-GOTSBHOMSA-N 0 3 454.663 3.736 20 0 JHADHN CCN1CCN(CCCn2c(COc3ccc(OC)cc3)nnc2N2CCC(C)(C)CC2)CC1 ZINC001313961692 1071673515 /nfs/dbraw/zinc/67/35/15/1071673515.db2.gz XDUAHSPMDNOREX-UHFFFAOYSA-N 0 3 470.662 3.520 20 0 JHADHN CCNC(=O)c1cccc(Cn2c(Cc3ccsc3)nnc2N2C[C@H](C)N(CC)C[C@@H]2C)c1 ZINC001313984930 1071722651 /nfs/dbraw/zinc/72/26/51/1071722651.db2.gz INVSNOLCCXGDNI-OALUTQOASA-N 0 3 466.655 3.647 20 0 JHADHN CCOC(C)(C)Cn1c(-c2cc(Br)cn2C)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C ZINC001314042801 1071850088 /nfs/dbraw/zinc/85/00/88/1071850088.db2.gz FNXOWVBUSTUIOM-CVEARBPZSA-N 0 3 467.456 3.780 20 0 JHADHN CCOC(C)(C)Cn1c(-c2cc(Br)cn2C)nnc1N1C[C@H](C)N(CC)C[C@H]1C ZINC001314042804 1071850183 /nfs/dbraw/zinc/85/01/83/1071850183.db2.gz FNXOWVBUSTUIOM-JKSUJKDBSA-N 0 3 467.456 3.780 20 0 JHADHN CCO[C@H](CCn1c(C2CCCC2)nnc1N1C[C@@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1)C(C)C ZINC001314060693 1071896244 /nfs/dbraw/zinc/89/62/44/1071896244.db2.gz QNSGUVAXVVBCQW-NQHRYMMQSA-N 0 3 488.721 3.766 20 0 JHADHN CCO[C@H](CCn1c(C2CCCC2)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1)C(C)C ZINC001314060684 1071896486 /nfs/dbraw/zinc/89/64/86/1071896486.db2.gz QNSGUVAXVVBCQW-FTBPSBKWSA-N 0 3 488.721 3.766 20 0 JHADHN CCO[C@@]1(c2nnc(N3CCN(C(C)(C)C)CC3)n2Cc2ccc(C)cc2SC)CCOC1 ZINC001314136199 1072048366 /nfs/dbraw/zinc/04/83/66/1072048366.db2.gz QBFPJXMZAQKKAM-VWLOTQADSA-N 0 3 473.687 3.929 20 0 JHADHN CCO[C@@]1(c2nnc(N3CCN(CC(C)C)CC3)n2C[C@H](C)Sc2ccccc2)CCOC1 ZINC001314138718 1072050688 /nfs/dbraw/zinc/05/06/88/1072050688.db2.gz YJITUBLTTOQYQR-OFVILXPXSA-N 0 3 473.687 3.889 20 0 JHADHN CCO[C@]1(c2nnc(N3CCN(CC(C)C)CC3)n2C[C@H](C)Sc2ccccc2)CCOC1 ZINC001314138720 1072051120 /nfs/dbraw/zinc/05/11/20/1072051120.db2.gz YJITUBLTTOQYQR-SQJMNOBHSA-N 0 3 473.687 3.889 20 0 JHADHN CCO[C@]1(c2nnc(N3CCS[C@H](C(C)C)C3)n2C[C@@H](c2ccccc2)N(C)C)CCOC1 ZINC001314139423 1072052604 /nfs/dbraw/zinc/05/26/04/1072052604.db2.gz AAWLFABHAZMWJJ-WRALFONMSA-N 0 3 473.687 3.811 20 0 JHADHN CCc1ccc(-c2nnc(N3CCC(S(=O)(=O)CC)CC3)n2CCN(C)[C@@H](C)CC)cc1 ZINC001305936971 1068241354 /nfs/dbraw/zinc/24/13/54/1068241354.db2.gz FNAAXSKWRZMISL-IBGZPJMESA-N 0 3 461.676 3.641 20 0 JHADHN CCc1nc(C)c([C@H](C)N(C)c2nnc([C@@H]3CCCOC3)n2CCN2CCN(C)C(C)(C)C2)s1 ZINC001306002268 1068375384 /nfs/dbraw/zinc/37/53/84/1068375384.db2.gz KIPDTPMATNMHMR-VQTJNVASSA-N 0 3 489.734 3.723 20 0 JHADHN CCc1nc(CN(C)c2nnc(-c3cnn(C)c3)n2C[C@H](c2cccs2)N(C)C)cs1 ZINC001306028675 1068425740 /nfs/dbraw/zinc/42/57/40/1068425740.db2.gz DPNYNDDPYXDHLZ-QGZVFWFLSA-N 0 3 456.645 3.698 20 0 JHADHN CCc1nn(C)c(CC)c1Cn1c(-c2ccc(OC)c(OC)c2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C ZINC001306043729 1068461482 /nfs/dbraw/zinc/46/14/82/1068461482.db2.gz SCVYNYPKBXHCCR-RTBURBONSA-N 0 3 495.672 3.788 20 0 JHADHN CCc1nn(C)c(CC)c1Cn1c(-c2cccc(OC)c2)nnc1N1C[C@@H](C)N(CC)C[C@@H]1C ZINC001306044214 1068462842 /nfs/dbraw/zinc/46/28/42/1068462842.db2.gz YRVCDSNQZQMPTQ-MOPGFXCFSA-N 0 3 465.646 3.779 20 0 JHADHN CCc1nnc(N2CCC([C@@](C)(O)C(F)(F)F)CC2)n1C[C@@H](c1ccc(F)cc1)N(C)C ZINC001306121384 1068530116 /nfs/dbraw/zinc/53/01/16/1068530116.db2.gz JYLOMMVAYFJBPL-GHTZIAJQSA-N 0 3 457.516 3.812 20 0 JHADHN CCc1nnc(N2CCC(CC(=O)N3CCCC3)CC2)n1C[C@@H](c1cccc(F)c1)N(C)C ZINC001306130691 1068534540 /nfs/dbraw/zinc/53/45/40/1068534540.db2.gz FORWCDDNUCEGNF-QFIPXVFZSA-N 0 3 456.610 3.511 20 0 JHADHN CCc1nnc(N2CCC(OC(C)(C)C)CC2)n1C[C@@H](C)N1CCN(c2ccccc2)CC1 ZINC001306146448 1068549100 /nfs/dbraw/zinc/54/91/00/1068549100.db2.gz NKDDJLOBEQNRHV-OAQYLSRUSA-N 0 3 454.663 3.835 20 0 JHADHN CCc1nnc(N2CCC[C@H](c3nc(C(C)C)cs3)C2)n1CCN1CCN(C)C(C)(C)C1 ZINC001306161189 1068557409 /nfs/dbraw/zinc/55/74/09/1068557409.db2.gz GJRIWFQVWVPJDM-IBGZPJMESA-N 0 3 459.708 3.830 20 0 JHADHN CCc1nnc(N2CCC[C@@H](N(C)C(=O)OC(C)(C)C)C2)n1C[C@H](c1cccc(OC)c1)N(C)C ZINC001306164714 1068560299 /nfs/dbraw/zinc/56/02/99/1068560299.db2.gz APGYCRALXLCMAT-IFMALSPDSA-N 0 3 486.661 3.988 20 0 JHADHN CC[C@H]1CCCCN1CCn1c(-c2cc(C)nc3ccccc32)nnc1N(C)[C@@H](C)CS(C)(=O)=O ZINC001306316299 1068735684 /nfs/dbraw/zinc/73/56/84/1068735684.db2.gz DZAQZQBMPPZVCI-SFTDATJTSA-N 0 3 498.697 3.936 20 0 JHADHN CC[C@@H]1CCCCN1CCn1c(-c2cccc(Cl)c2)nnc1N(C)[C@@H](C)CS(C)(=O)=O ZINC001306318176 1068740531 /nfs/dbraw/zinc/74/05/31/1068740531.db2.gz MUECCFHPHMVTOF-FXAWDEMLSA-N 0 3 468.067 3.732 20 0 JHADHN CC[C@@H]1CCCCN1CCn1c(-c2ccccc2Cl)nnc1N(C)[C@H](C)CS(C)(=O)=O ZINC001306321066 1068751185 /nfs/dbraw/zinc/75/11/85/1068751185.db2.gz YLUBBJMCXSOTMI-QZTJIDSGSA-N 0 3 468.067 3.732 20 0 JHADHN CC[C@H]1CCCN1c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@H](C)N1CCN(CC)CC1 ZINC001306348424 1068785184 /nfs/dbraw/zinc/78/51/84/1068785184.db2.gz UDFRZRMMGJWZQG-QUCCMNQESA-N 0 3 462.589 3.951 20 0 JHADHN CC[C@H]1CCCN1c1nnc(COc2cc(C)cc(C)c2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001306356433 1068791102 /nfs/dbraw/zinc/79/11/02/1068791102.db2.gz USELGHWXCKEQIF-LADGPHEKSA-N 0 3 482.673 3.795 20 0 JHADHN CCC(CC)NC(=O)c1nnc(N2CC[C@@H](CC)C2)n1CCCN1CCc2ccccc2C1 ZINC001306357576 1068792251 /nfs/dbraw/zinc/79/22/51/1068792251.db2.gz DAHSZDDWTMENLN-HXUWFJFHSA-N 0 3 452.647 3.881 20 0 JHADHN CCC1CCN(c2nnc(COc3ccc(C)cc3)n2CCCN2CCN(CC)CC2)CC1 ZINC001306383396 1068815338 /nfs/dbraw/zinc/81/53/38/1068815338.db2.gz QWWGKMCCXBSKBL-UHFFFAOYSA-N 0 3 454.663 3.820 20 0 JHADHN CC[C@H]1CN(c2nnc(-c3ccc(Br)cc3)n2CCN2CC=CCC2)C[C@@H](C)O1 ZINC001306407152 1068880108 /nfs/dbraw/zinc/88/01/08/1068880108.db2.gz WDGPWYLAYNWYOF-XLIONFOSSA-N 0 3 460.420 3.973 20 0 JHADHN O=C(Nc1cc(Cl)c(OCC(F)(F)F)c(Cl)c1)N1CC[C@@H]2[C@H]1CCCN2CCO ZINC001310496741 1068981043 /nfs/dbraw/zinc/98/10/43/1068981043.db2.gz KPFULKAVBBGOHA-HUUCEWRRSA-N 0 3 456.292 3.997 20 0 JHADHN C[C@@H]1C[C@H](NC(=O)Nc2ccccc2OCC(=O)Nc2cccnc2)CN1Cc1ccccc1 ZINC001310513738 1068994678 /nfs/dbraw/zinc/99/46/78/1068994678.db2.gz SXYXBKYQTFJHEJ-KNQAVFIVSA-N 0 3 459.550 3.884 20 0 JHADHN CCN1CCN(c2cccc(NC(=O)NC[C@H]3CSCCN3Cc3ccccc3)c2)CC1 ZINC001310598067 1069042130 /nfs/dbraw/zinc/04/21/30/1069042130.db2.gz VPXCYCNKHXGMPX-DEOSSOPVSA-N 0 3 453.656 3.568 20 0 JHADHN CCN1CCN(c2cccc(NC(=O)N3CCC[C@@H]4[C@H]3CCN4C(=O)OC(C)(C)C)c2)CC1 ZINC001310598223 1069042172 /nfs/dbraw/zinc/04/21/72/1069042172.db2.gz WKUUSQXYTWCTDV-FGZHOGPDSA-N 0 3 457.619 3.834 20 0 JHADHN CCCCNS(=O)(=O)c1ccc(C)c(NC(=O)N(C)[C@H]2CCN(Cc3ccccc3)C2)c1 ZINC001310631011 1069071532 /nfs/dbraw/zinc/07/15/32/1069071532.db2.gz DSBOJWGCQCFEIZ-NRFANRHFSA-N 0 3 458.628 3.812 20 0 JHADHN CCCC(=O)NC[C@@H]1CCCN(c2nnc(-c3cccn3C)n2C[C@H](c2ccsc2)N(C)C)C1 ZINC001306515284 1069117461 /nfs/dbraw/zinc/11/74/61/1069117461.db2.gz DOZQFAOSLXTFLA-SIKLNZKXSA-N 0 3 483.686 3.781 20 0 JHADHN CNC(=O)c1cccc(NC(=O)N2CCCN(Cc3ccccc3)C[C@@H]2C)c1Br ZINC001310704849 1069122318 /nfs/dbraw/zinc/12/23/18/1069122318.db2.gz GYNJANTWLUUDLJ-INIZCTEOSA-N 0 3 459.388 3.937 20 0 JHADHN CS[C@@H]1CN(C(=O)Nc2ccc3c(c2F)CCN(C(=O)OC(C)(C)C)C3)C[C@H]1N(C)C ZINC001310723695 1069134558 /nfs/dbraw/zinc/13/45/58/1069134558.db2.gz DYNIRWDVJLCGSO-QZTJIDSGSA-N 0 3 452.596 3.628 20 0 JHADHN COc1ccc(NC(=O)N2CCC(c3ccccc3)(N3CCCC3)CC2)c(S(C)(=O)=O)c1 ZINC001310751447 1069150580 /nfs/dbraw/zinc/15/05/80/1069150580.db2.gz ORQNDVWLDIMVIS-UHFFFAOYSA-N 0 3 457.596 3.718 20 0 JHADHN CCC[C@@](C)(O)Cn1c(-c2ccc(OCC)c(OC)c2)nnc1N1CCN(C2CCCC2)CC1 ZINC001306529703 1069165852 /nfs/dbraw/zinc/16/58/52/1069165852.db2.gz KOEIDSCALDDIHW-AREMUKBSSA-N 0 3 471.646 3.968 20 0 JHADHN Cc1cccn(Cc2c(F)cccc2NC(=O)N(CCc2ccccc2)CCN(C)C)c1=O ZINC001310846369 1069191869 /nfs/dbraw/zinc/19/18/69/1069191869.db2.gz AWMPHABUUHKCPU-UHFFFAOYSA-N 0 3 450.558 3.982 20 0 JHADHN CC(C)(C)OC(=O)NCC[C@H](NC(=O)NCCCN1CCc2ccccc2C1)C(F)(F)F ZINC001310883076 1069208549 /nfs/dbraw/zinc/20/85/49/1069208549.db2.gz AKJBOIZARRGMPS-SFHVURJKSA-N 0 3 458.525 3.580 20 0 JHADHN CC[C@@H](CNC(=O)N[C@H](CNC(=O)OC(C)(C)C)C(F)(F)F)N1CCc2ccccc2C1 ZINC001310932705 1069226060 /nfs/dbraw/zinc/22/60/60/1069226060.db2.gz VPQWOTRCHJWQCR-ZWKOTPCHSA-N 0 3 458.525 3.578 20 0 JHADHN COC(=O)c1ccc(NC(=O)N[C@@H](CN(C)C)c2ccc(OC)cc2)c(OCC(F)F)c1 ZINC001311013559 1069248588 /nfs/dbraw/zinc/24/85/88/1069248588.db2.gz PEGRRGZGZDWXAV-SFHVURJKSA-N 0 3 451.470 3.550 20 0 JHADHN COC(=O)c1ccc(NC(=O)N[C@H](CN(C)C)c2ccc(OC)cc2)c(OCC(F)F)c1 ZINC001311013558 1069248728 /nfs/dbraw/zinc/24/87/28/1069248728.db2.gz PEGRRGZGZDWXAV-GOSISDBHSA-N 0 3 451.470 3.550 20 0 JHADHN CN1CCN(CCCCNC(=O)Nc2csc(-c3ccc(Br)cc3)n2)CC1 ZINC001311040373 1069254774 /nfs/dbraw/zinc/25/47/74/1069254774.db2.gz IEPIGXSPYOJJGK-UHFFFAOYSA-N 0 3 452.422 3.722 20 0 JHADHN COc1cncc(NC(=O)NCCCCN2CCN(c3cccc(C(F)(F)F)c3)CC2)c1 ZINC001311074335 1069265043 /nfs/dbraw/zinc/26/50/43/1069265043.db2.gz NFHZZHXYXWOQFT-UHFFFAOYSA-N 0 3 451.493 3.833 20 0 JHADHN CCOC(=O)c1ccn(-c2ccc(NC(=O)N(CCN(C)C)Cc3ccccc3)cc2F)n1 ZINC001311093662 1069271023 /nfs/dbraw/zinc/27/10/23/1069271023.db2.gz GNTJIDXRDNVLTC-UHFFFAOYSA-N 0 3 453.518 3.784 20 0 JHADHN CCCC1(Cn2c(-c3cccc(S(=O)(=O)N(C)C)c3)nnc2N2C[C@H](C)N(CC)C[C@@H]2C)CC1 ZINC001306598199 1069273960 /nfs/dbraw/zinc/27/39/60/1069273960.db2.gz DDTAHKOWLRGGQW-PMACEKPBSA-N 0 3 488.702 3.695 20 0 JHADHN CCN1CCN(Cc2ccccc2CNC(=O)Nc2c(Cl)n(C)nc2C(F)(F)F)CC1 ZINC001311111869 1069276016 /nfs/dbraw/zinc/27/60/16/1069276016.db2.gz KGUWUXLXIDBERL-UHFFFAOYSA-N 0 3 458.916 3.552 20 0 JHADHN COc1cc(NC(=O)NC[C@H]2CN(Cc3ccccc3)CCCO2)c2nccc(OC)c2c1 ZINC001311182349 1069292210 /nfs/dbraw/zinc/29/22/10/1069292210.db2.gz OQHHBRYNQFRYLM-FQEVSTJZSA-N 0 3 450.539 3.665 20 0 JHADHN COC(=O)c1cc(NC(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2C)c(Cl)cc1NC(C)=O ZINC001311191815 1069294190 /nfs/dbraw/zinc/29/41/90/1069294190.db2.gz ZDBORTJSSQPYDG-SPLOXXLWSA-N 0 3 458.946 3.727 20 0 JHADHN CCC[C@@H]1CN(c2nnc(-c3cccc(OC)c3)n2CC2(O)CCCCCC2)CCN1CCOC ZINC001306618536 1069302046 /nfs/dbraw/zinc/30/20/46/1069302046.db2.gz UNDZPTHKOKPETE-HSZRJFAPSA-N 0 3 485.673 3.976 20 0 JHADHN CCC[C@@H]1CN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@]2(O)CCO[C@H]2C)CCN1CCOC ZINC001306618972 1069303019 /nfs/dbraw/zinc/30/30/19/1069303019.db2.gz HRAJFSYHDBBPHP-FFCVWOAGSA-N 0 3 499.700 3.720 20 0 JHADHN CCC[C@@H]1CN(c2nnc(C(C)C)n2C[C@](C)(O)c2ccccc2Cl)CCN1CCOC ZINC001306619619 1069304073 /nfs/dbraw/zinc/30/40/73/1069304073.db2.gz VVTMBZSGSVWODH-DVECYGJZSA-N 0 3 464.054 3.900 20 0 JHADHN CCC[C@@H]1CN(c2nnc(C(C)C)n2C[C@@](C)(O)c2ccccc2Cl)CCN1CCOC ZINC001306619620 1069304345 /nfs/dbraw/zinc/30/43/45/1069304345.db2.gz VVTMBZSGSVWODH-NTKDMRAZSA-N 0 3 464.054 3.900 20 0 JHADHN O=C(Nc1nncs1)c1cnc(N2CCC[C@@H]3CN(Cc4ccccc4)C[C@@H]32)c(Cl)c1 ZINC001164630925 719101877 /nfs/dbraw/zinc/10/18/77/719101877.db2.gz XRFIJYASHLAIJT-APWZRJJASA-N 0 3 454.987 3.940 20 0 JHADHN COCc1nn(-c2nc(CN3CCCCC3)nc3sc4c(c32)CC[C@H](C)C4)c2c1CNC2 ZINC001164710489 720079083 /nfs/dbraw/zinc/07/90/83/720079083.db2.gz IXDLOPTVMUOCFS-HNNXBMFYSA-N 0 3 452.628 3.737 20 0 JHADHN COc1ccc(-c2nc3ccc(F)cc3c(N3CCN4C[C@H](Oc5cncnc5)C[C@H]4C3)n2)cc1 ZINC001164740124 720660177 /nfs/dbraw/zinc/66/01/77/720660177.db2.gz QGEOQKVVXSSECW-PZJWPPBQSA-N 0 3 472.524 3.576 20 0 JHADHN c1ccc(COc2ccc3nc(N4CCN5C[C@H](Oc6cncnc6)C[C@H]5C4)ccc3c2)cc1 ZINC001164741025 720718098 /nfs/dbraw/zinc/71/80/98/720718098.db2.gz RXSJAHAFZDMOPU-LADGPHEKSA-N 0 3 453.546 3.946 20 0 JHADHN c1ccc(COc2ccc3nc(N4CCN5C[C@@H](Oc6cncnc6)C[C@H]5C4)ccc3c2)cc1 ZINC001164741027 720720134 /nfs/dbraw/zinc/72/01/34/720720134.db2.gz RXSJAHAFZDMOPU-UPVQGACJSA-N 0 3 453.546 3.946 20 0 JHADHN c1ccc(-c2ccc(-c3ccc(N4CCN5C[C@@H](Oc6cncnc6)C[C@H]5C4)nn3)cc2)cc1 ZINC001164740970 720783922 /nfs/dbraw/zinc/78/39/22/720783922.db2.gz LUCWGURPAPDUFD-ZEQRLZLVSA-N 0 3 450.546 3.943 20 0 JHADHN Cc1sc2nc(CN3CCCC3)nc(N3C[C@@H]4CCN(Cc5cnn(C)c5)C[C@H]4C3)c2c1C ZINC001164771469 721200043 /nfs/dbraw/zinc/20/00/43/721200043.db2.gz QFAHOUXGTOXODX-SFTDATJTSA-N 0 3 465.671 3.596 20 0 JHADHN Cc1c(C)n(Cc2ccccc2)c2ncnc(N3C[C@@H]4CCN(Cc5cnn(C)c5)C[C@@H]4C3)c12 ZINC001164766050 721200591 /nfs/dbraw/zinc/20/05/91/721200591.db2.gz IVSSPVQHKNSHKL-BJKOFHAPSA-N 0 3 455.610 3.788 20 0 JHADHN CN(C)C(=O)c1cc2cnc(N3CCN4C[C@H](Oc5cccc(F)c5)C[C@H]4C3)nc2n1C1CCCC1 ZINC001164908831 721534384 /nfs/dbraw/zinc/53/43/84/721534384.db2.gz QRZPRYBEYMGEHM-JTHBVZDNSA-N 0 3 492.599 3.729 20 0 JHADHN COc1ccc(Cn2cc3[nH]c(N4CCN5C[C@@H](Oc6cccc(F)c6)C[C@H]5C4)ccc-3c2=O)cc1 ZINC001164911351 721550793 /nfs/dbraw/zinc/55/07/93/721550793.db2.gz YYSQWTSPEOPHFF-URXFXBBRSA-N 0 3 488.563 3.727 20 0 JHADHN CCOC(=O)c1cc2c(N3CCC4(CC3)COCCN(Cc3ccncc3)C4)[nH]c(C)c(C)c-2n1 ZINC001164963248 722057217 /nfs/dbraw/zinc/05/72/17/722057217.db2.gz JPPOEJDDPVBNFB-UHFFFAOYSA-N 0 3 477.609 3.870 20 0 JHADHN c1ccc(CN2CCc3nc(N4CC[C@H]5CN(Cc6cccnc6)CCO[C@@H]5C4)ccc3C2)cc1 ZINC001164974953 722109240 /nfs/dbraw/zinc/10/92/40/722109240.db2.gz JDIRNMNLTIBDSD-XTEPFMGCSA-N 0 3 469.633 3.762 20 0 JHADHN FC(F)(c1ccc2nc(Cl)cnc2c1)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164980443 722112783 /nfs/dbraw/zinc/11/27/83/722112783.db2.gz RETKICKQCOUNAQ-UWJYYQICSA-N 0 3 459.928 3.950 20 0 JHADHN c1cc2c(nc(-c3ccccn3)nc2N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)s1 ZINC001164976053 722152168 /nfs/dbraw/zinc/15/21/68/722152168.db2.gz GVSHKURHXHPTBY-KNQAVFIVSA-N 0 3 458.591 3.876 20 0 JHADHN FC(F)(Oc1ccc(Cl)nc1Cl)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164972242 722154012 /nfs/dbraw/zinc/15/40/12/722154012.db2.gz HNNXDBHQVXCLPJ-NVXWUHKLSA-N 0 3 459.324 3.935 20 0 JHADHN FC(F)(Oc1cc(Cl)nc(Cl)c1)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164972593 722155152 /nfs/dbraw/zinc/15/51/52/722155152.db2.gz IOUUHNLBTNJOCJ-DOTOQJQBSA-N 0 3 459.324 3.935 20 0 JHADHN COC(=O)c1cc2c(nc(Cl)nc2N2CCC[C@]3(CCN3Cc3cccc(F)c3)C2)n1C ZINC001164996772 722207217 /nfs/dbraw/zinc/20/72/17/722207217.db2.gz WQXOYRYAXUOUKI-QHCPKHFHSA-N 0 3 457.937 3.792 20 0 JHADHN CCC[C@H]1CN(c2nnc(CC)n2CCc2ccc(Br)s2)CCN1CCOC ZINC001306626124 1069320659 /nfs/dbraw/zinc/32/06/59/1069320659.db2.gz CJHQGRQWXFMDLQ-INIZCTEOSA-N 0 3 470.481 3.844 20 0 JHADHN CCC[C@H]1CN(c2nnc(Cc3ccc(F)cc3)n2Cc2ncccc2C)CCN1CCOC ZINC001306627151 1069323586 /nfs/dbraw/zinc/32/35/86/1069323586.db2.gz RCNDWLLOBTYALB-QHCPKHFHSA-N 0 3 466.605 3.697 20 0 JHADHN CCC[C@H]1CN(c2nnc(CC)n2Cc2ccccc2OC(F)(F)F)CCN1CCOC ZINC001306627159 1069323485 /nfs/dbraw/zinc/32/34/85/1069323485.db2.gz RHCRFKMFLYKVQQ-SFHVURJKSA-N 0 3 455.525 3.725 20 0 JHADHN CCN(C(=O)Nc1nc2cc(S(=O)(=O)CC)ccc2o1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001311328536 1069326164 /nfs/dbraw/zinc/32/61/64/1069326164.db2.gz LIQJERNBCXAXCC-GOSISDBHSA-N 0 3 456.568 3.750 20 0 JHADHN Cc1cccc(NC(=O)N2CC3(CCCC3)OC[C@H]2CN(C)C)c1I ZINC001311334741 1069328483 /nfs/dbraw/zinc/32/84/83/1069328483.db2.gz CRNXGCCVRRDRKJ-OAHLLOKOSA-N 0 3 457.356 3.707 20 0 JHADHN COc1ccc([C@H](CNC(=O)NC[C@@H]2CC(c3ccc(C)c(C)c3)=NO2)N2CCCC2)cc1 ZINC001311348027 1069334543 /nfs/dbraw/zinc/33/45/43/1069334543.db2.gz XUTCTNIKFFEJMY-ZCYQVOJMSA-N 0 3 450.583 3.941 20 0 JHADHN CCN1CCN(Cc2ccccc2CNC(=O)NCC[C@@H]2CSc3ccccc3O2)CC1 ZINC001311359203 1069342746 /nfs/dbraw/zinc/34/27/46/1069342746.db2.gz VYFLJFBHRMJAOM-JOCHJYFZSA-N 0 3 454.640 3.567 20 0 JHADHN CCC[C@H]1CN(c2nnc(-c3ccccc3Cl)n2Cc2ccc(C)n(C)c2=O)CCN1CCOC ZINC001306649572 1069361361 /nfs/dbraw/zinc/36/13/61/1069361361.db2.gz VMZYOIHEQVKEST-NRFANRHFSA-N 0 3 499.059 3.591 20 0 JHADHN CN(C(=O)c1ccncc1)c1ccc(CNC(=O)NCCCN2CCc3ccccc3C2)cc1 ZINC001311403215 1069362764 /nfs/dbraw/zinc/36/27/64/1069362764.db2.gz IPYFRBQEKHXVKK-UHFFFAOYSA-N 0 3 457.578 3.606 20 0 JHADHN CN1CCO[C@H]([C@@H](NC(=O)N[C@H](CN2CCCC2)c2ccccc2)c2ccc(Cl)cc2)C1 ZINC001311405061 1069363806 /nfs/dbraw/zinc/36/38/06/1069363806.db2.gz IBHWHUKEOOMNOD-SGNDLWITSA-N 0 3 457.018 3.848 20 0 JHADHN CCCCCn1c(CCc2ccccc2)nnc1N1C[C@@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 ZINC001306654240 1069365875 /nfs/dbraw/zinc/36/58/75/1069365875.db2.gz HMXPESLSWJXCPI-RCZVLFRGSA-N 0 3 466.674 3.632 20 0 JHADHN O=C(N[C@@H](CN1CCCC1)c1ccccc1)N1CCN(CCOc2ccccc2Cl)CC1 ZINC001311406013 1069364416 /nfs/dbraw/zinc/36/44/16/1069364416.db2.gz QKCMGDMOVHNXQL-QHCPKHFHSA-N 0 3 457.018 3.883 20 0 JHADHN O=C(NCCCN1CCc2ccccc2C1)N[C@H](Cc1ccccc1)C(=O)Nc1ccccc1 ZINC001311406103 1069364543 /nfs/dbraw/zinc/36/45/43/1069364543.db2.gz YBRPDBGAMUKSDL-AREMUKBSSA-N 0 3 456.590 3.984 20 0 JHADHN CCCCCn1cc(Cn2c(-c3cccn3C)nnc2N2C[C@H](C)N(CC)C[C@@H]2C)c(C)n1 ZINC001306657419 1069371112 /nfs/dbraw/zinc/37/11/12/1069371112.db2.gz ZQTMJSAURCUMMU-PMACEKPBSA-N 0 3 452.651 3.946 20 0 JHADHN O=C(NCCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1)NCC[C@@H]1CCCC[C@@H]1O ZINC001311452022 1069384565 /nfs/dbraw/zinc/38/45/65/1069384565.db2.gz NBVRJNUGVJJKHW-UGKGYDQZSA-N 0 3 470.580 3.848 20 0 JHADHN CCN(CC)[C@@H](CNC(=O)N(C)[C@H]1CCN(Cc2ccccc2)C1=O)c1cccc(OC)c1 ZINC001311468979 1069392471 /nfs/dbraw/zinc/39/24/71/1069392471.db2.gz GGRWLNZURNCENP-ZEQRLZLVSA-N 0 3 452.599 3.521 20 0 JHADHN O=C(NC[C@@H](c1cccs1)N1CCCC1)N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC001311574051 1069445231 /nfs/dbraw/zinc/44/52/31/1069445231.db2.gz ARRJECXTEBGBPW-MSOLQXFVSA-N 0 3 450.967 3.782 20 0 JHADHN C[C@H]1CN(C(=O)NCCCCN2CCN(c3ccccc3)CC2)CC[C@@H]1C(=O)OC(C)(C)C ZINC001311632642 1069479875 /nfs/dbraw/zinc/47/98/75/1069479875.db2.gz JZYDIMVEMMZILR-GMAHTHKFSA-N 0 3 458.647 3.598 20 0 JHADHN C[C@H]1CN(Cc2cccc(CNC(=O)N3CC[C@H](C)N(Cc4ccccc4)CC3)c2)CCO1 ZINC001311664097 1069493546 /nfs/dbraw/zinc/49/35/46/1069493546.db2.gz IAECMVVCDNITDB-GOTSBHOMSA-N 0 3 450.627 3.713 20 0 JHADHN COc1cc(OC)c(C[C@H](C)NC(=O)NCC(C)(C)N2CCc3ccccc3C2)c(OC)c1 ZINC001311720530 1069518831 /nfs/dbraw/zinc/51/88/31/1069518831.db2.gz VOTIUZPMCJKBJQ-SFHVURJKSA-N 0 3 455.599 3.780 20 0 JHADHN CCCCOCCCn1c(-c2cccc(Cl)c2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001306751230 1069545946 /nfs/dbraw/zinc/54/59/46/1069545946.db2.gz UPFRRVQFYOLESN-QFIPXVFZSA-N 0 3 489.064 3.548 20 0 JHADHN CCC[C@H](NC(=O)N[C@]1(C)CCN(Cc2ccccc2)C1)C(=O)N1CCc2sccc2C1 ZINC001311856521 1069582265 /nfs/dbraw/zinc/58/22/65/1069582265.db2.gz YINSDNHSSXYJLM-SQJMNOBHSA-N 0 3 454.640 3.765 20 0 JHADHN COc1ccccc1SC[C@H](C)CNC(=O)N[C@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC001311917586 1069612193 /nfs/dbraw/zinc/61/21/93/1069612193.db2.gz JYCPZDALPNLCPB-FCEUIQTBSA-N 0 3 457.640 3.606 20 0 JHADHN CCOc1c(OC)cc(Cn2c([C@@H]3CCCOC3)nnc2N2CCN(C(C)(C)C)CC2)cc1OC ZINC001314157030 1069630335 /nfs/dbraw/zinc/63/03/35/1069630335.db2.gz QLZWOBJKDQADSR-HXUWFJFHSA-N 0 3 487.645 3.557 20 0 JHADHN CCCN(Cc1ccc(F)cc1F)c1nnc(C(=O)Nc2ccccn2)n1C[C@@H](C)N(C)C ZINC001306810877 1069630501 /nfs/dbraw/zinc/63/05/01/1069630501.db2.gz IRTMREZSZMCYFW-MRXNPFEDSA-N 0 3 457.529 3.570 20 0 JHADHN CCOc1c(OC)cc(Cn2c(-c3ccc[nH]3)nnc2N2C[C@H](C)N(CC)C[C@H]2C)cc1OC ZINC001314158342 1069635999 /nfs/dbraw/zinc/63/59/99/1069635999.db2.gz VWZFVHHYFHRRCF-ZWKOTPCHSA-N 0 3 468.602 3.656 20 0 JHADHN CCOc1cc(C)ccc1Cn1c(CC(C)(C)C)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001314159655 1069641089 /nfs/dbraw/zinc/64/10/89/1069641089.db2.gz QCMOJLHEZHPCCM-NRFANRHFSA-N 0 3 455.647 3.781 20 0 JHADHN COc1ccc2c(c1)c(C(=O)Nc1ccc(=O)n(CCN(C)C)c1)c(C)n2Cc1ccccc1 ZINC001306818245 1069640371 /nfs/dbraw/zinc/64/03/71/1069640371.db2.gz VFAZLIUVVIAMNR-UHFFFAOYSA-N 0 3 458.562 3.982 20 0 JHADHN CSCC[C@@H](NC(=O)c1ccco1)C(=O)Nc1cc(C)cc(N2CCN(C(C)C)CC2)c1 ZINC001306825355 1069645822 /nfs/dbraw/zinc/64/58/22/1069645822.db2.gz CLFIDQNHTFBFIP-OAQYLSRUSA-N 0 3 458.628 3.609 20 0 JHADHN O=C(NCCN1CCC2(CCCCC2)CC1)c1cc2c(cc1Br)NC(=O)CO2 ZINC001306831869 1069649062 /nfs/dbraw/zinc/64/90/62/1069649062.db2.gz YIKNYEOTURYDJY-UHFFFAOYSA-N 0 3 450.377 3.556 20 0 JHADHN CN1CCN(CCCCNC(=O)N2CCC(C)(c3cccc(Br)c3)CC2)CC1 ZINC001312009646 1069666560 /nfs/dbraw/zinc/66/65/60/1069666560.db2.gz LSQUSSUSUAYZTP-UHFFFAOYSA-N 0 3 451.453 3.540 20 0 JHADHN Cc1cccnc1[C@@H](NC(=O)N1CCC[C@H](CN2CCN(c3ccccn3)CC2)C1)C(C)C ZINC001312019157 1069674709 /nfs/dbraw/zinc/67/47/09/1069674709.db2.gz ROAGRVYJEGCIMT-VWNXMTODSA-N 0 3 450.631 3.726 20 0 JHADHN COc1cc(N[C@@H]2CCCN(C(=O)NC[C@@H]3CCCN3Cc3ccccc3)C2)cc(OC)c1 ZINC001312022705 1069675687 /nfs/dbraw/zinc/67/56/87/1069675687.db2.gz AYLXQAGWZYPTPN-GGAORHGYSA-N 0 3 452.599 3.954 20 0 JHADHN CCOc1ccc(-c2nnc(N3CC[C@@H](N4CCN(CC)CC4)C3)n2CCC(C)C)cc1OC ZINC001314177287 1069710423 /nfs/dbraw/zinc/71/04/23/1069710423.db2.gz PKUBDVOYXVSMFU-JOCHJYFZSA-N 0 3 470.662 3.615 20 0 JHADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)NCC1(c2ccc(Br)cc2)CCCC1 ZINC001312080969 1069710836 /nfs/dbraw/zinc/71/08/36/1069710836.db2.gz HZYJFLCZRXHIPX-SFHVURJKSA-N 0 3 451.453 3.586 20 0 JHADHN CCOc1ccc(CN(C)c2nnc([C@H]3CCCCO3)n2C[C@H](C)N2CCN(CC)CC2)cc1 ZINC001314182865 1069730413 /nfs/dbraw/zinc/73/04/13/1069730413.db2.gz DKLLPKROQVBYED-XUZZJYLKSA-N 0 3 470.662 3.581 20 0 JHADHN CCOc1cccc(CCn2c(C(=O)NC(C)C)nnc2N2CCN(C3CCC(C)CC3)CC2)c1 ZINC001314196763 1069776300 /nfs/dbraw/zinc/77/63/00/1069776300.db2.gz BSLQPTVPYUZPBX-UHFFFAOYSA-N 0 3 482.673 3.758 20 0 JHADHN CN(C(=O)NCc1ccccc1CN1CCC(O)CC1)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC001312205743 1069780837 /nfs/dbraw/zinc/78/08/37/1069780837.db2.gz MXGHIRWUGFZPDV-ILBGXUMGSA-N 0 3 455.574 3.844 20 0 JHADHN CCCN1CCC(N(C)c2nnc(-c3ccc(OC)cc3)n2CC[S@@](=O)C(C)(C)C)CC1 ZINC001307049437 1069797604 /nfs/dbraw/zinc/79/76/04/1069797604.db2.gz KUGPUEXEPOLLGF-JGCGQSQUSA-N 0 3 461.676 3.812 20 0 JHADHN COc1ccccc1N1CC[C@H](NC(=O)NC[C@@H](c2ccc(CC(C)C)cc2)N(C)C)C1=O ZINC001312280204 1069834139 /nfs/dbraw/zinc/83/41/39/1069834139.db2.gz QKTKYUVTLNVPFU-GMAHTHKFSA-N 0 3 452.599 3.601 20 0 JHADHN CCOc1cccc(Cn2c([C@H]3CCOC3)nnc2N2CCN(C(C)(C)C)CC2)c1OC(F)F ZINC001314211526 1069835545 /nfs/dbraw/zinc/83/55/45/1069835545.db2.gz SNSNAUNYHRSGAC-SFHVURJKSA-N 0 3 479.572 3.751 20 0 JHADHN CCOc1ccccc1CCn1c(CNC(=O)c2cccs2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001314213582 1069841085 /nfs/dbraw/zinc/84/10/85/1069841085.db2.gz OIGNFZUMUSKRFT-UHFFFAOYSA-N 0 3 496.681 3.832 20 0 JHADHN CC(C)Cn1c(=O)c2cc(Br)ccc2nc1SCCCN1CCN(C)CC1 ZINC001307267487 1069920640 /nfs/dbraw/zinc/92/06/40/1069920640.db2.gz CHZJYJATBRGFDS-UHFFFAOYSA-N 0 3 453.450 3.545 20 0 JHADHN CCO[C@@H]1C[C@H](N(C)c2nnc(Cc3ccsc3)n2C[C@@H](C)N2CCN(CC)CC2)C1(C)C ZINC001314252764 1069984103 /nfs/dbraw/zinc/98/41/03/1069984103.db2.gz JOXQJXYXRTWRBN-BAGYTPMASA-N 0 3 474.719 3.596 20 0 JHADHN CCO[C@@H]1C[C@@H](N(C)c2nnc(-c3cnn(C)c3)n2C[C@H](c2cccc(F)c2)N(C)C)C1(C)C ZINC001314256720 1069992810 /nfs/dbraw/zinc/99/28/10/1069992810.db2.gz LTCWKDDASKDGHJ-YPAWHYETSA-N 0 3 469.609 3.760 20 0 JHADHN CCOC(=O)C[C@@H]1CCCC[C@@]1(O)C[N@H+](C)Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC001307451320 1069991485 /nfs/dbraw/zinc/99/14/85/1069991485.db2.gz QNIHFAYTHGIILJ-SQJMNOBHSA-N 0 3 474.623 3.794 20 0 JHADHN CCOC(=O)C[C@@H]1CCCC[C@@]1(O)C[N@@H+](C)Cc1cccc([N-]S(=O)(=O)c2ccccc2)c1 ZINC001307451320 1069991498 /nfs/dbraw/zinc/99/14/98/1069991498.db2.gz QNIHFAYTHGIILJ-SQJMNOBHSA-N 0 3 474.623 3.794 20 0 JHADHN Cc1cc(=O)oc2cc(OCCN(C)C[C@H](O)COc3ccccc3C(F)(F)F)ccc12 ZINC001307467763 1070002358 /nfs/dbraw/zinc/00/23/58/1070002358.db2.gz MZVRNKNAJANZIC-INIZCTEOSA-N 0 3 451.441 3.871 20 0 JHADHN CCOc1ccc(NC(=O)CN2C[C@H](C)CCC[C@H]2C)cc1S(=O)(=O)N1CCCCC1 ZINC001307478925 1070008078 /nfs/dbraw/zinc/00/80/78/1070008078.db2.gz MKCAAAWMUGQAKI-RTBURBONSA-N 0 3 451.633 3.709 20 0 JHADHN COc1ccc(C2=NO[C@@H](CNC(=O)NC[C@H]3CCCCN3Cc3ccccc3)C2)cc1F ZINC001312569355 1070019832 /nfs/dbraw/zinc/01/98/32/1070019832.db2.gz BSUHEDRBQHAHKG-NHCUHLMSSA-N 0 3 454.546 3.681 20 0 JHADHN CSc1ccc([C@H](CNC(=O)N[C@H](Cn2ccccc2=O)c2ccccc2)N(C)C)cc1 ZINC001312585099 1070029439 /nfs/dbraw/zinc/02/94/39/1070029439.db2.gz DNIFSZNDXHCMSM-PKTZIBPZSA-N 0 3 450.608 3.914 20 0 JHADHN CCO[C@H]1CCCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H](c2ccccc2)N(C)C)C1 ZINC001314275773 1070033910 /nfs/dbraw/zinc/03/39/10/1070033910.db2.gz ORGMQSQHHRFQAW-SFTDATJTSA-N 0 3 482.654 3.578 20 0 JHADHN CN(C)CCN(CCCc1ccccc1)C(=O)NCc1cc(Cl)ccc1N1CCOCC1 ZINC001312595130 1070035525 /nfs/dbraw/zinc/03/55/25/1070035525.db2.gz MAFAFQAFAHMUGK-UHFFFAOYSA-N 0 3 459.034 3.883 20 0 JHADHN COC(=O)[C@H](c1ccc(Cl)c(Cl)c1)N(C)CC(=O)NC[C@@H](c1ccccc1)N(C)C ZINC001307573546 1070059799 /nfs/dbraw/zinc/05/97/99/1070059799.db2.gz JQIZACVPCQQNSX-FPOVZHCZSA-N 0 3 452.382 3.558 20 0 JHADHN COc1ccc2cc(CN(C)C(=O)[C@H](C)N3CCC[C@H]3C[C@@H](O)c3cnn(C)c3)ccc2c1 ZINC001307587044 1070066298 /nfs/dbraw/zinc/06/62/98/1070066298.db2.gz JAQDQEVCCKOYRR-VVMVZBAXSA-N 0 3 450.583 3.517 20 0 JHADHN Cc1nc(-c2ccc(C(F)(F)F)cc2)sc1CN1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001307599338 1070074384 /nfs/dbraw/zinc/07/43/84/1070074384.db2.gz JDZKJFDHKAACNT-SFHVURJKSA-N 0 3 452.546 3.876 20 0 JHADHN CC[C@H](C)N[C@@H](CNC(=O)N1CCN(C(=O)C(F)(F)F)C2(CCCCC2)C1)c1ccco1 ZINC001312680759 1070079499 /nfs/dbraw/zinc/07/94/99/1070079499.db2.gz RBPMFSVPEBNIMH-IRXDYDNUSA-N 0 3 458.525 3.828 20 0 JHADHN CN(C)C[C@@H]1COC2(CCCC2)CN1C(=O)N[C@@H](c1cncc(Br)c1)C1CC1 ZINC001312684880 1070081944 /nfs/dbraw/zinc/08/19/44/1070081944.db2.gz KFOAXVMOOWAJAI-RTBURBONSA-N 0 3 451.409 3.580 20 0 JHADHN CC[C@@H](NCC(=O)N1CCN(Cc2ccc(C(C)C)cc2)CC1)c1ccc2c(c1)OCCO2 ZINC001307624274 1070086046 /nfs/dbraw/zinc/08/60/46/1070086046.db2.gz XDKDKMWJFCSYSB-XMMPIXPASA-N 0 3 451.611 3.966 20 0 JHADHN C[C@H](c1ccccc1F)N1CCC[C@H](NC(=O)N[C@]2(C)CCN(Cc3ccccc3)C2)C1=O ZINC001312750540 1070102618 /nfs/dbraw/zinc/10/26/18/1070102618.db2.gz XHLOONNNTLBKHH-FRPAHBMMSA-N 0 3 452.574 3.842 20 0 JHADHN CCN(CC(=O)N1CCC[C@@H]1c1ccc(OC)c(OC)c1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001307656714 1070106226 /nfs/dbraw/zinc/10/62/26/1070106226.db2.gz FTZVAWZIEPEJBP-DNQXCXABSA-N 0 3 451.611 3.964 20 0 JHADHN C[C@H](c1ccc(F)cc1)N1CCC[C@H](NC(=O)N(CCN(C)C)Cc2ccc(F)cc2)C1=O ZINC001312758010 1070107721 /nfs/dbraw/zinc/10/77/21/1070107721.db2.gz RCWWTEUXJBGHJM-JPYJTQIMSA-N 0 3 458.553 3.790 20 0 JHADHN CC(=O)Nc1c[nH]nc1[C@@H]1CCCN(CCC(=O)N[C@H](c2cccs2)c2ccccc2)C1 ZINC001307671817 1070115381 /nfs/dbraw/zinc/11/53/81/1070115381.db2.gz HPIFMVSFQQILHA-DVECYGJZSA-N 0 3 451.596 3.905 20 0 JHADHN CCCn1ccnc1CCCN(C)CC(=O)Nc1ccc(I)cc1C ZINC001307676493 1070118829 /nfs/dbraw/zinc/11/88/29/1070118829.db2.gz AJECYGSSRDFMCO-UHFFFAOYSA-N 0 3 454.356 3.709 20 0 JHADHN CNC(=O)[C@@H]1CCC[C@@H]1NCC(=O)Nc1cc(-c2cc(C)c(C)cc2C)nn1-c1ccccc1 ZINC001307682140 1070122822 /nfs/dbraw/zinc/12/28/22/1070122822.db2.gz HBKINUXSEIJKCY-GGAORHGYSA-N 0 3 459.594 3.907 20 0 JHADHN COc1cc(OC)cc(N2CCCN(C(=O)N[C@@H]3CCN(Cc4ccccc4)[C@H]3C)CC2)c1 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ZINC001308517630 1070384121 /nfs/dbraw/zinc/38/41/21/1070384121.db2.gz CPAUVBGLUXYLQK-UHFFFAOYSA-N 0 3 452.502 3.777 20 0 JHADHN COCOc1ccc(OC)cc1CN[C@H]1CN(C(=O)OC(C)(C)C)CC2(CCOCC2)C1 ZINC001308518372 1070384761 /nfs/dbraw/zinc/38/47/61/1070384761.db2.gz DMKPLYGYJWROCP-LJQANCHMSA-N 0 3 450.576 3.574 20 0 JHADHN OCCOC1(CNCc2ccc(F)cc2I)CCC(C(F)F)CC1 ZINC001308536733 1070387297 /nfs/dbraw/zinc/38/72/97/1070387297.db2.gz JRCYJWHUUALDPD-UHFFFAOYSA-N 0 3 457.274 3.723 20 0 JHADHN CCCNC(=O)[C@@H]1CCCN(c2nnc(C(C)(C)C)n2C[C@H](c2cccc(F)c2)N(C)C)C1 ZINC001313457984 1070400873 /nfs/dbraw/zinc/40/08/73/1070400873.db2.gz QVWXWGWNRJFBKW-TZIWHRDSSA-N 0 3 458.626 3.760 20 0 JHADHN CN(C)Cc1ccc(NC2CCN(CCNC(=O)OC(C)(C)C)CC2)cc1Br ZINC001308693506 1070420335 /nfs/dbraw/zinc/42/03/35/1070420335.db2.gz DBDAYHHXOSGMBX-UHFFFAOYSA-N 0 3 455.441 3.912 20 0 JHADHN C[C@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)N[C@@H](Cn1ccccc1=O)c1ccccc1 ZINC001308718398 1070425148 /nfs/dbraw/zinc/42/51/48/1070425148.db2.gz AWZOYNBARYGAIK-DVECYGJZSA-N 0 3 458.562 3.945 20 0 JHADHN COC(=O)c1ccccc1-c1ccc(CNC[C@H]2CCC3(CN(C(=O)OC(C)(C)C)C3)O2)o1 ZINC001308868371 1070451563 /nfs/dbraw/zinc/45/15/63/1070451563.db2.gz ADXQBWPFEWBJRG-GOSISDBHSA-N 0 3 456.539 3.991 20 0 JHADHN CCCNC(=O)C1CCN(c2nnc(-c3cccc(C)n3)n2C[C@H](c2ccc(F)cc2)N(C)C)CC1 ZINC001313469801 1070455324 /nfs/dbraw/zinc/45/53/24/1070455324.db2.gz GYBUOCZLQMPIKP-XMMPIXPASA-N 0 3 493.631 3.833 20 0 JHADHN CC(C)(C)OC(=O)N(CCO)[C@@H]1CCCN(C[C@@]2(C)CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC001308989075 1070471710 /nfs/dbraw/zinc/47/17/10/1070471710.db2.gz ZJPKBJMDTQUQNN-NTKDMRAZSA-N 0 3 455.640 3.717 20 0 JHADHN CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(-c2cccc3cccnc32)n1C[C@@H]1CCCN(C(C)C)C1 ZINC001314515228 1070485505 /nfs/dbraw/zinc/48/55/05/1070485505.db2.gz FHPDINHXSDDENM-NHCUHLMSSA-N 0 3 498.697 3.873 20 0 JHADHN COc1c(F)cc(Br)cc1S(=O)(=O)[N-]CC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC001309100877 1070540490 /nfs/dbraw/zinc/54/04/90/1070540490.db2.gz 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Cc1ccc([C@@H]2CN(Cc3ccccc3)C[C@H]2S(=O)(=O)N2CCC[C@H](CCO)CC2)cc1 ZINC001309595282 1070875489 /nfs/dbraw/zinc/87/54/89/1070875489.db2.gz BAGXRWOGNIFXCZ-UCGXPXSYSA-N 0 3 456.652 3.777 20 0 JHADHN CN(C)[C@H](Cn1c(-c2ccc[nH]2)nnc1N(C)CC(=O)Nc1cc(F)cc(F)c1)c1ccsc1 ZINC001314707751 1070878921 /nfs/dbraw/zinc/87/89/21/1070878921.db2.gz CRIZVXKZTXUPSX-HXUWFJFHSA-N 0 3 485.564 3.991 20 0 JHADHN CCN(CC)[C@@H](C)Cn1c(COc2ccc(Cl)cc2)nnc1N1CCCC[C@@H](S(C)(=O)=O)C1 ZINC001313668396 1070891651 /nfs/dbraw/zinc/89/16/51/1070891651.db2.gz QMBDMTRPONOJAK-GHTZIAJQSA-N 0 3 498.093 3.644 20 0 JHADHN CCN(CC)[C@H](Cn1c([C@H]2CCCOC2)nnc1N(C)C1CCC(NC(C)=O)CC1)c1ccco1 ZINC001313672441 1070903931 /nfs/dbraw/zinc/90/39/31/1070903931.db2.gz OCNUEFGTATXAFJ-SCZRWQTQSA-N 0 3 486.661 3.732 20 0 JHADHN CCN(CC)[C@@H](Cn1c(-c2cccc(C)n2)nnc1N1CCN(C(=O)C(C)C)CC1)c1ccco1 ZINC001313672841 1070905164 /nfs/dbraw/zinc/90/51/64/1070905164.db2.gz PQCPVAHHOFZLPQ-QFIPXVFZSA-N 0 3 479.629 3.629 20 0 JHADHN Cc1nn(CCN(C)C)c(C)c1S(=O)(=O)Oc1cccc2scc(Br)c21 ZINC001309664089 1070910637 /nfs/dbraw/zinc/91/06/37/1070910637.db2.gz CGPMUGITMZASIG-UHFFFAOYSA-N 0 3 458.403 3.806 20 0 JHADHN CCN(CC)[C@H](Cn1c(Cc2ccncc2)nnc1N1CCN(C(=O)C(C)C)CC1)c1ccsc1 ZINC001313676846 1070922775 /nfs/dbraw/zinc/92/27/75/1070922775.db2.gz GHLUJQWXCIULIQ-HSZRJFAPSA-N 0 3 495.697 3.713 20 0 JHADHN CCN(CC)[C@@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCCN(C(=O)C(C)C)CC1)c1ccco1 ZINC001313681623 1070941101 /nfs/dbraw/zinc/94/11/01/1070941101.db2.gz YDHUKBJCYSPVSA-YADHBBJMSA-N 0 3 486.661 3.543 20 0 JHADHN O=S(=O)([C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccc(Cl)cc1)N1CCO[C@H](CCF)C1 ZINC001309762400 1070958122 /nfs/dbraw/zinc/95/81/22/1070958122.db2.gz VOCLOHXFWLCQMG-XPWALMASSA-N 0 3 467.006 3.698 20 0 JHADHN CCN(CC)CC(=O)N1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H]2CCC[C@@H]2C)CC1 ZINC001313698560 1070971078 /nfs/dbraw/zinc/97/10/78/1070971078.db2.gz HOPLCJRGLLWPIM-UNMCSNQZSA-N 0 3 487.092 3.949 20 0 JHADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccc(C)o3)n2C/C=C/c2ccccc2)CC1 ZINC001313698886 1070971882 /nfs/dbraw/zinc/97/18/82/1070971882.db2.gz DMEXJXDLTUWPAU-FMIVXFBMSA-N 0 3 462.598 3.550 20 0 JHADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccccc3Cl)n2CCc2cccc(C)n2)CC1 ZINC001313699136 1070973251 /nfs/dbraw/zinc/97/32/51/1070973251.db2.gz IRYMFTYMIFHGHA-UHFFFAOYSA-N 0 3 496.059 3.535 20 0 JHADHN CCN(CC)CC(=O)N1CCN(c2nnc(C3CCC3)n2C[C@@H](C)c2cccc(C)c2)CC1 ZINC001313702164 1070983582 /nfs/dbraw/zinc/98/35/82/1070983582.db2.gz ALGKLRYPMPDUPK-OAQYLSRUSA-N 0 3 452.647 3.648 20 0 JHADHN CN(C)[C@@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N(C)Cc1cnccn1)c1ccc(F)cc1 ZINC001314763770 1071023073 /nfs/dbraw/zinc/02/30/73/1071023073.db2.gz JSMMHNFGHAHZBG-FQEVSTJZSA-N 0 3 499.392 3.904 20 0 JHADHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC001309980358 1071037269 /nfs/dbraw/zinc/03/72/69/1071037269.db2.gz JIOAVUJYGOEIJN-AUSIDOKSSA-N 0 3 456.612 3.503 20 0 JHADHN 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CCN1CCN(c2ccc(NC(=O)NCC3(CN4CCOCC4)CCCCC3)c(C)c2)CC1 ZINC001310018150 1071062857 /nfs/dbraw/zinc/06/28/57/1071062857.db2.gz CZSWVFITTDICRU-UHFFFAOYSA-N 0 3 457.663 3.541 20 0 JHADHN CCN(Cc1ccccc1C)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CCCN1C[C@H](C)C[C@@H](C)C1 ZINC001313740438 1071065691 /nfs/dbraw/zinc/06/56/91/1071065691.db2.gz BHRWGAMADHBGRY-PQNGQFLHSA-N 0 3 487.714 3.883 20 0 JHADHN CN(C)[C@H](Cn1c(CN2CCCC2=O)nnc1N(C)C[C@H]1CC=CCC1)c1ccc(F)cc1 ZINC001314790604 1071068539 /nfs/dbraw/zinc/06/85/39/1071068539.db2.gz PMBQYFMXIKPVOK-SIKLNZKXSA-N 0 3 454.594 3.635 20 0 JHADHN C[C@@H](CNC(=O)Nc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1)N(C)Cc1ccccc1 ZINC001310037883 1071077395 /nfs/dbraw/zinc/07/73/95/1071077395.db2.gz CBOXEVMYTQCXDN-FQEVSTJZSA-N 0 3 458.628 3.749 20 0 JHADHN COc1cc(C)ccc1Oc1ccc(NC(=O)N2CC[C@H](N3CCN(C)CC3)[C@@H](C)C2)cn1 ZINC001310114649 1071126496 /nfs/dbraw/zinc/12/64/96/1071126496.db2.gz XHEGJNFBZGFFOW-FPOVZHCZSA-N 0 3 453.587 3.681 20 0 JHADHN CN(C)[C@H](Cn1c(-c2cccnc2)nnc1N(C)CCc1nccs1)c1cccc(F)c1 ZINC001314836310 1071177618 /nfs/dbraw/zinc/17/76/18/1071177618.db2.gz WADNAGBQISVALY-HXUWFJFHSA-N 0 3 451.575 3.918 20 0 JHADHN CCN(CCc1cccs1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H](c1cccs1)N(C)C ZINC001313792986 1071190176 /nfs/dbraw/zinc/19/01/76/1071190176.db2.gz VRZGAVQZYLQCAF-ROUUACIJSA-N 0 3 458.657 3.724 20 0 JHADHN COCCOC(=O)Nc1cccc(NC(=O)NC[C@@H](c2ccc(OC)cc2)N2CCCC2)c1 ZINC001310184797 1071190702 /nfs/dbraw/zinc/19/07/02/1071190702.db2.gz YIXJZVRZRKNFCC-QFIPXVFZSA-N 0 3 456.543 3.849 20 0 JHADHN CCN(CCn1c(-c2cccc(OC)c2)nnc1N1CCOC2(CCOCC2)C1)CCC(F)(F)F ZINC001313803506 1071211974 /nfs/dbraw/zinc/21/19/74/1071211974.db2.gz RIRIOHBTQDIXBF-UHFFFAOYSA-N 0 3 497.562 3.614 20 0 JHADHN O=C(NCc1nc(Cc2ccccc2F)no1)Nc1ccc(CCN2CCSCC2)cc1 ZINC001310217146 1071214229 /nfs/dbraw/zinc/21/42/29/1071214229.db2.gz DATPMYSVUHVJEV-UHFFFAOYSA-N 0 3 455.559 3.713 20 0 JHADHN COCCN1CC[C@@H](NC(=O)Nc2ccc3c(c2)CCC(=O)N3Cc2ccc(Cl)cc2)C1 ZINC001310226120 1071220782 /nfs/dbraw/zinc/22/07/82/1071220782.db2.gz JDHNOZWEBDXGIT-OAQYLSRUSA-N 0 3 456.974 3.662 20 0 JHADHN Cc1ccc(C(=O)N2CCSCC2)cc1NC(=O)N[C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC001310253038 1071238558 /nfs/dbraw/zinc/23/85/58/1071238558.db2.gz YRFAQCMGMIYAPY-DENIHFKCSA-N 0 3 452.624 3.969 20 0 JHADHN COC1CCN(CCNC(=O)Nc2ccc(N3C[C@H](C)O[C@@H](C)C3)c(C(F)(F)F)c2)CC1 ZINC001310254768 1071241442 /nfs/dbraw/zinc/24/14/42/1071241442.db2.gz AZDANZMENPYQQZ-HOTGVXAUSA-N 0 3 458.525 3.551 20 0 JHADHN CC(C)OC(=O)c1ccc(Cl)c(NC(=O)N[C@H]2CCN(Cc3ccccc3)C[C@@H]2CO)c1 ZINC001310254021 1071240065 /nfs/dbraw/zinc/24/00/65/1071240065.db2.gz HIJVWFNPKBWPRJ-CTNGQTDRSA-N 0 3 459.974 3.910 20 0 JHADHN CC(C)OC(=O)c1ccc(Cl)c(NC(=O)N[C@H]2CCN(Cc3ccccc3)C[C@H]2CO)c1 ZINC001310254022 1071240131 /nfs/dbraw/zinc/24/01/31/1071240131.db2.gz HIJVWFNPKBWPRJ-FPOVZHCZSA-N 0 3 459.974 3.910 20 0 JHADHN CCN(CCn1c(-c2ccc(Cl)cc2OC)nnc1N1CCCC[C@H](S(C)(=O)=O)C1)C(C)C ZINC001313810263 1071240235 /nfs/dbraw/zinc/24/02/35/1071240235.db2.gz UZTQODIBIGXQFT-IBGZPJMESA-N 0 3 498.093 3.741 20 0 JHADHN CCN(CCn1c(-c2ccccc2OC)nnc1N1CCC(C(=O)OC)CC1)CCC(F)(F)F ZINC001313809347 1071236769 /nfs/dbraw/zinc/23/67/69/1071236769.db2.gz VSKPPNKUNBPDLI-UHFFFAOYSA-N 0 3 483.535 3.617 20 0 JHADHN CCN(CCn1c(-c2cccn2C)nnc1N1CCCC2(CCOCC2)C1)CCC(F)(F)F ZINC001313811567 1071246218 /nfs/dbraw/zinc/24/62/18/1071246218.db2.gz VPLPPWJHPLSNJA-UHFFFAOYSA-N 0 3 468.568 3.955 20 0 JHADHN CCN(CCn1c(-c2ccccn2)nnc1N1CCC[C@@H](c2nc(C)no2)C1)CCC(F)(F)F ZINC001313811626 1071247129 /nfs/dbraw/zinc/24/71/29/1071247129.db2.gz XNRLYOZWMXSOBY-QGZVFWFLSA-N 0 3 478.523 3.690 20 0 JHADHN CCCN(C(=O)Nc1cc(S(=O)(=O)NC)ccc1C)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001310270347 1071253930 /nfs/dbraw/zinc/25/39/30/1071253930.db2.gz OGFZMFYLIMRUSC-OAQYLSRUSA-N 0 3 458.628 3.812 20 0 JHADHN CN(CCn1c(Cc2ccncc2)nnc1N1CCN(CCC(C)(C)C)CC1)C(=O)OC(C)(C)C ZINC001314862402 1071255779 /nfs/dbraw/zinc/25/57/79/1071255779.db2.gz AVKVRUJRNVEGSG-UHFFFAOYSA-N 0 3 485.677 3.689 20 0 JHADHN CN(CCn1c(Cc2c(F)cccc2F)nnc1N1CCN(CC2CC2)CC1)C(=O)OC(C)(C)C ZINC001314864332 1071262373 /nfs/dbraw/zinc/26/23/73/1071262373.db2.gz QTZIYXFGSKCEOL-UHFFFAOYSA-N 0 3 490.599 3.546 20 0 JHADHN CN(CCn1c(CC(C)(C)C)nnc1N1CCC[C@H](CN2CCOCC2)C1)Cc1ccc(F)cc1 ZINC001314864940 1071265196 /nfs/dbraw/zinc/26/51/96/1071265196.db2.gz WYKRZMSAKJLVDR-HSZRJFAPSA-N 0 3 486.680 3.686 20 0 JHADHN CN(CCn1c([C@H]2CCCCO2)nnc1N1CCC(O)(C(F)(F)F)CC1)Cc1ccc(F)cc1 ZINC001314866119 1071269436 /nfs/dbraw/zinc/26/94/36/1071269436.db2.gz RJWKHVLLQWHLRX-LJQANCHMSA-N 0 3 485.526 3.684 20 0 JHADHN COCCc1ccc(Oc2ccc(NC(=O)N3CCC(N4CCN(C)CC4)CC3)cc2)cc1 ZINC001310298908 1071282129 /nfs/dbraw/zinc/28/21/29/1071282129.db2.gz SLUNLDUTJDSUKV-UHFFFAOYSA-N 0 3 452.599 3.912 20 0 JHADHN CCN(CCS(C)(=O)=O)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)n1CCCN1CCCCC1 ZINC001313823088 1071287565 /nfs/dbraw/zinc/28/75/65/1071287565.db2.gz FOBUXECVWYIBBK-LJQANCHMSA-N 0 3 493.743 3.878 20 0 JHADHN Cn1ccc(CCn2c(Cc3ccc(F)cc3)nnc2N2CCN(CCC(C)(C)C)CC2)n1 ZINC001314907075 1071346250 /nfs/dbraw/zinc/34/62/50/1071346250.db2.gz YUMNALFFPJUEHM-UHFFFAOYSA-N 0 3 453.610 3.542 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2Cc2cccc(C(F)(F)F)c2)C[C@H]1C ZINC001313857869 1071357411 /nfs/dbraw/zinc/35/74/11/1071357411.db2.gz DITSUKLMWIWCQH-IAGOWNOFSA-N 0 3 487.530 3.911 20 0 JHADHN O=C(NC[C@H]1CN(Cc2ccccc2)CCCO1)Nc1cnn(Cc2ccc(Cl)cc2)c1 ZINC001310385548 1071357455 /nfs/dbraw/zinc/35/74/55/1071357455.db2.gz RKFKAJZCGAHGBW-QHCPKHFHSA-N 0 3 453.974 3.997 20 0 JHADHN CCn1cnnc1Cn1c(COc2ccc(C(C)(C)C)cc2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001313856845 1071356661 /nfs/dbraw/zinc/35/66/61/1071356661.db2.gz XVFVUMJSHDZDSB-UHFFFAOYSA-N 0 3 480.661 3.735 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2Cc2csc(COC)n2)C[C@H]1C ZINC001313859016 1071362349 /nfs/dbraw/zinc/36/23/49/1071362349.db2.gz ITIFCORNJXNYMK-RTBURBONSA-N 0 3 497.669 3.717 20 0 JHADHN Cn1cccc1-c1nnc(N2CCN(C(C)(C)C)CC2)n1CCN(C(=O)OC(C)(C)C)C1CC1 ZINC001314917789 1071360634 /nfs/dbraw/zinc/36/06/34/1071360634.db2.gz NABVMRVSUNNRKQ-UHFFFAOYSA-N 0 3 471.650 3.604 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(-c3cnn(-c4ccccc4)c3)n2CCNC(=O)OC(C)(C)C)C[C@@H]1C ZINC001313862550 1071377254 /nfs/dbraw/zinc/37/72/54/1071377254.db2.gz HTRNJWRSTWNBQO-VQTJNVASSA-N 0 3 494.644 3.574 20 0 JHADHN CCn1cnnc1Cn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1C[C@H](C)N(CC)C[C@H]1C ZINC001313862478 1071377521 /nfs/dbraw/zinc/37/75/21/1071377521.db2.gz BFJLMZJTJIZPRI-LEWJYISDSA-N 0 3 480.661 3.949 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3ccc(OC)c(OC)c3)n2CC(F)(F)Br)C[C@@H]1C ZINC001313863358 1071381848 /nfs/dbraw/zinc/38/18/48/1071381848.db2.gz DICFTCDPNGRKOC-KBPBESRZSA-N 0 3 488.377 3.869 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(-c3cc(Br)cn3C)n2Cc2ncccc2C)C[C@@H]1C ZINC001313863814 1071383237 /nfs/dbraw/zinc/38/32/37/1071383237.db2.gz TVOAFKRHCOCRJY-DLBZAZTESA-N 0 3 472.435 3.717 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(C3(c4ccccc4)CCC3)n2CCCC(=O)N(C)C)C[C@@H]1C ZINC001313863842 1071383280 /nfs/dbraw/zinc/38/32/80/1071383280.db2.gz UHSOCMKVSOHVOP-LEWJYISDSA-N 0 3 452.647 3.535 20 0 JHADHN CCN1C[C@H](C)N(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCCNC(=O)C2CCC2)C[C@H]1C ZINC001313862786 1071378508 /nfs/dbraw/zinc/37/85/08/1071378508.db2.gz RUSCZSWOWQVZKK-AABGKKOBSA-N 0 3 486.636 3.783 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(-c3ccc(Cl)nc3)n2CCn2cc(Br)cn2)C[C@H]1C ZINC001313862868 1071379603 /nfs/dbraw/zinc/37/96/03/1071379603.db2.gz CHAIJYXZLDFMCG-HUUCEWRRSA-N 0 3 493.841 3.572 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3csc(N4CCOCC4)n3)n2CCSCC(C)C)C[C@@H]1C ZINC001313863054 1071380676 /nfs/dbraw/zinc/38/06/76/1071380676.db2.gz JIJJECCROKGKMJ-OALUTQOASA-N 0 3 493.747 3.546 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(-c3ccc(Cl)nc3)n2CCNC(=O)c2ccc(C)cc2)C[C@H]1C ZINC001313864770 1071388474 /nfs/dbraw/zinc/38/84/74/1071388474.db2.gz HBUFAPUNJFVQOT-RTBURBONSA-N 0 3 482.032 3.651 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3cc(Br)c[nH]3)n2CC2(O)CCCCC2)C[C@H]1C ZINC001313865887 1071394246 /nfs/dbraw/zinc/39/42/46/1071394246.db2.gz YNIRISWDIPJZJA-CVEARBPZSA-N 0 3 465.440 3.650 20 0 JHADHN CCN1C[C@H](C)N(c2nnc([C@H]3COc4ccccc4O3)n2CC(F)(F)Br)C[C@H]1C ZINC001313865504 1071393548 /nfs/dbraw/zinc/39/35/48/1071393548.db2.gz DWDCDUAARJWEGW-JKIFEVAISA-N 0 3 486.361 3.697 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(-c3cc(Br)c[nH]3)n2CC2(O)CCCCC2)C[C@@H]1C ZINC001313865893 1071394206 /nfs/dbraw/zinc/39/42/06/1071394206.db2.gz YNIRISWDIPJZJA-JKSUJKDBSA-N 0 3 465.440 3.650 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@]2(O)CCO[C@@H]2C)C[C@@H]1C ZINC001313865957 1071395187 /nfs/dbraw/zinc/39/51/87/1071395187.db2.gz JDOCDJPYFINBQP-DUQZYUJVSA-N 0 3 468.429 3.711 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3ccc4c(c3)OCCO4)n2C[C@@H](OC)C(C)(C)C)C[C@H]1C ZINC001313866664 1071396600 /nfs/dbraw/zinc/39/66/00/1071396600.db2.gz KSCFLVWSSVFONX-KGVIQGDOSA-N 0 3 457.619 3.696 20 0 JHADHN CCN1C[C@H](C)N(c2nnc([C@@H]3CCCCO3)n2C[C@@H](C)Oc2cccc(OC)c2)C[C@@H]1C ZINC001313867062 1071397242 /nfs/dbraw/zinc/39/72/42/1071397242.db2.gz JEZUIKHKPQXTLT-GJPOJAMWSA-N 0 3 457.619 3.915 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3ccc(Cl)cc3Cl)n2CCOCCOC)C[C@H]1C ZINC001313867123 1071397950 /nfs/dbraw/zinc/39/79/50/1071397950.db2.gz LMPKNIMFJLTFEI-CVEARBPZSA-N 0 3 456.418 3.834 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(CCCc3ccccc3)n2Cc2conc2COC)C[C@@H]1C ZINC001313867251 1071400142 /nfs/dbraw/zinc/40/01/42/1071400142.db2.gz ISSDAJNAHVPWKX-VQTJNVASSA-N 0 3 452.603 3.555 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2C[C@@H]2CCOC2)C[C@H]1C ZINC001313867627 1071400639 /nfs/dbraw/zinc/40/06/39/1071400639.db2.gz MSCCYATYUCSXDD-AABGKKOBSA-N 0 3 457.619 3.696 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3ccc(OC)cc3OC)n2CCc2nccs2)C[C@@H]1C ZINC001313867593 1071400769 /nfs/dbraw/zinc/40/07/69/1071400769.db2.gz MKXOIUSLUJZZPH-IRXDYDNUSA-N 0 3 456.616 3.580 20 0 JHADHN CCN1C[C@H](C)N(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@H]2OCC[C@H]2C)C[C@H]1C ZINC001313868760 1071406232 /nfs/dbraw/zinc/40/62/32/1071406232.db2.gz NOLWDRUUFPVDEX-QMCAAQAGSA-N 0 3 490.693 3.737 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(CC(C)C)n2Cc2ccc(CN3CCCC3=O)cc2)C[C@H]1C ZINC001313868994 1071407275 /nfs/dbraw/zinc/40/72/75/1071407275.db2.gz CBJSKHGTESTUBU-RTWAWAEBSA-N 0 3 452.647 3.566 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(-c3cccnc3)n2CCC2CCN(CC(F)(F)F)CC2)C[C@H]1C ZINC001313870085 1071411499 /nfs/dbraw/zinc/41/14/99/1071411499.db2.gz FKCNSJLTADQMSY-RTBURBONSA-N 0 3 479.595 3.923 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(Cc3ccccc3F)n2C[C@](C)(O)c2ccsc2)C[C@H]1C ZINC001313869914 1071411518 /nfs/dbraw/zinc/41/15/18/1071411518.db2.gz CQSOHXDFJSHAFO-YTZAWJCFSA-N 0 3 457.619 3.896 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2Cc2ccoc2)C[C@H]1C ZINC001313869513 1071409297 /nfs/dbraw/zinc/40/92/97/1071409297.db2.gz PIYMAAUXXHQPHM-RTBURBONSA-N 0 3 472.634 3.953 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(CCc3ccccc3)n2CC[C@H](OC)C(F)(F)F)C[C@@H]1C ZINC001313870729 1071415266 /nfs/dbraw/zinc/41/52/66/1071415266.db2.gz VVYPZPXLZZFSKJ-BJLQDIEVSA-N 0 3 453.553 3.950 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(Cc3c(F)cccc3F)n2Cc2ccc(OC)nc2)C[C@@H]1C ZINC001313871636 1071417507 /nfs/dbraw/zinc/41/75/07/1071417507.db2.gz GVMKKFFBCSJODW-IRXDYDNUSA-N 0 3 456.541 3.518 20 0 JHADHN CCN1C[C@H](C)N(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2CCCCSC)C[C@@H]1C ZINC001313871863 1071419096 /nfs/dbraw/zinc/41/90/96/1071419096.db2.gz UBMUZXAJZDYUET-UFYCRDLUSA-N 0 3 496.722 3.649 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(-c3ccc(OC)c(OC)c3)n2CCc2scnc2C)C[C@H]1C ZINC001313873074 1071423832 /nfs/dbraw/zinc/42/38/32/1071423832.db2.gz YQQKSWXKJVFDOH-IAGOWNOFSA-N 0 3 470.643 3.889 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3ccc(OCCC(C)C)cc3)n2C[C@H]2CCC(=O)N2)C[C@H]1C ZINC001313873041 1071423924 /nfs/dbraw/zinc/42/39/24/1071423924.db2.gz YKNPRIXHANGMMF-RZUBCFFCSA-N 0 3 468.646 3.568 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(-c3ccc(OC)c(OC)c3)n2CCCNc2ccccn2)C[C@H]1C ZINC001313872972 1071423981 /nfs/dbraw/zinc/42/39/81/1071423981.db2.gz YDPIJDLKCLLGLL-WOJBJXKFSA-N 0 3 479.629 3.778 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(Cc3c(F)cccc3F)n2CCNC(=O)c2cccs2)C[C@H]1C ZINC001313874133 1071427309 /nfs/dbraw/zinc/42/73/09/1071427309.db2.gz MWDTXZKPUXMVSN-IAGOWNOFSA-N 0 3 488.608 3.558 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(COc3cccc(C)c3)n2CCCNc2ccccn2)C[C@@H]1C ZINC001313874684 1071429479 /nfs/dbraw/zinc/42/94/79/1071429479.db2.gz JLTPLORIKACYMF-FCHUYYIVSA-N 0 3 463.630 3.982 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(COc3ccc(C)c(C)c3)n2Cc2snnc2C)C[C@@H]1C ZINC001313876995 1071440074 /nfs/dbraw/zinc/44/00/74/1071440074.db2.gz QAJODEGOSROPQS-ZWKOTPCHSA-N 0 3 455.632 3.601 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3cccnc3)n2C[C@@H]2[C@@H](C)CCN2C(=O)OC(C)(C)C)C[C@@H]1C ZINC001313877930 1071443122 /nfs/dbraw/zinc/44/31/22/1071443122.db2.gz XWBVWOKYCJNIAO-BPBCIEFSSA-N 0 3 483.661 3.905 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(Cc3ccccn3)n2C[C@@](C)(O)c2cccc(Cl)c2)C[C@@H]1C ZINC001313879245 1071448467 /nfs/dbraw/zinc/44/84/67/1071448467.db2.gz ZIIAEDZRPQWZGV-XHNVNVPESA-N 0 3 469.033 3.744 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccccc2C(F)(F)F)C[C@H]1C ZINC001313887117 1071472481 /nfs/dbraw/zinc/47/24/81/1071472481.db2.gz SYGRSQLKZDDTQL-REHHDOPLSA-N 0 3 481.563 3.988 20 0 JHADHN CCN1CCCC[C@H]1Cn1c(-c2ccc(OCCC(C)C)cc2)nnc1N1CCS(=O)CC1 ZINC001313908091 1071529426 /nfs/dbraw/zinc/52/94/26/1071529426.db2.gz LVGRATSVTZETBV-QFIPXVFZSA-N 0 3 473.687 3.813 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(-c3cccc(OC(F)F)c3)nnc2N(C)[C@H]2CCSC2)CC1 ZINC001313919584 1071557502 /nfs/dbraw/zinc/55/75/02/1071557502.db2.gz CRGUVOOMQOUIIE-MJGOQNOKSA-N 0 3 480.629 3.514 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(-c3cc(OC)cc(OC)c3)nnc2N2CCCCCCC2)CC1 ZINC001313920534 1071559521 /nfs/dbraw/zinc/55/95/21/1071559521.db2.gz KEVDHCCLKATWSA-OAQYLSRUSA-N 0 3 470.662 3.759 20 0 JHADHN CCN1CCN([C@H](C)Cn2c([C@H](C)Oc3cccc(Cl)c3)nnc2N(C)Cc2ccon2)CC1 ZINC001313921575 1071562012 /nfs/dbraw/zinc/56/20/12/1071562012.db2.gz QLFSMQKYNHYGLZ-MOPGFXCFSA-N 0 3 488.036 3.722 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(-c3ccc(Br)cc3)nnc2N(C)Cc2ccco2)CC1 ZINC001313921843 1071562578 /nfs/dbraw/zinc/56/25/78/1071562578.db2.gz SZBFJKXWCDSGFA-GOSISDBHSA-N 0 3 487.446 3.963 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(-c3ccccc3F)nnc2N2CCC[C@H](OCC(F)(F)F)C2)CC1 ZINC001313924393 1071570175 /nfs/dbraw/zinc/57/01/75/1071570175.db2.gz DSSWZXGBFSSKLN-OALUTQOASA-N 0 3 498.569 3.658 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(COc3ccccc3F)nnc2N2CCS[C@H](C(C)C)C2)CC1 ZINC001313926460 1071576819 /nfs/dbraw/zinc/57/68/19/1071576819.db2.gz CJJDRFISSPYSFX-REWPJTCUSA-N 0 3 490.693 3.600 20 0 JHADHN CCN1CCN([C@H](C)Cn2c([C@@H]3CCCOC3)nnc2N(C)[C@@H](C)c2ccc(F)c(F)c2)CC1 ZINC001313926560 1071576877 /nfs/dbraw/zinc/57/68/77/1071576877.db2.gz DICBRDGYKYOVAY-SVFBPWRDSA-N 0 3 476.616 3.674 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(N3CCC([C@@H](O)c4ccc(F)cc4)CC3)nnc2C(C)(C)C)CC1 ZINC001313926981 1071578242 /nfs/dbraw/zinc/57/82/42/1071578242.db2.gz GRVYKTVQJRXKSA-YKSBVNFPSA-N 0 3 486.680 3.691 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(COc3ccc(C)cc3)nnc2N2CCCC(C)(C)C2)CC1 ZINC001313926998 1071578765 /nfs/dbraw/zinc/57/87/65/1071578765.db2.gz HBDUVDDMUXJXFI-JOCHJYFZSA-N 0 3 454.663 3.818 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(COc3cc(C)ccc3C)nnc2N2C[C@H](C)[C@H](C)C2)CC1 ZINC001313926987 1071578845 /nfs/dbraw/zinc/57/88/45/1071578845.db2.gz GTEVZOBKITXMSR-ZRBLBEILSA-N 0 3 454.663 3.592 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(N(C)CCC(F)F)nnc2C2(c3ccccc3)CCC2)CC1 ZINC001313927242 1071579340 /nfs/dbraw/zinc/57/93/40/1071579340.db2.gz JITIXGCFDVLYOP-HXUWFJFHSA-N 0 3 460.617 3.866 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(COc3cc(C)cc(C)c3)nnc2N(C)CC(C)(C)C)CC1 ZINC001313927856 1071581902 /nfs/dbraw/zinc/58/19/02/1071581902.db2.gz PGFSDFXJMGIHIO-JOCHJYFZSA-N 0 3 456.679 3.982 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(COc3cc(C)cc(C)c3)nnc2N2CCC[C@H](C)C2)CC1 ZINC001313927853 1071581915 /nfs/dbraw/zinc/58/19/15/1071581915.db2.gz PCTKYYYAONNBHD-NZQKXSOJSA-N 0 3 454.663 3.736 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(Cc3csc(C)n3)nnc2N2CCC[C@H](C(C)C)C2)CC1 ZINC001313928477 1071583747 /nfs/dbraw/zinc/58/37/47/1071583747.db2.gz PIGKRSMLNBMHNV-CTNGQTDRSA-N 0 3 459.708 3.532 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(Cc3csc(C)n3)nnc2N2CCC[C@@H](C(C)C)C2)CC1 ZINC001313928479 1071583788 /nfs/dbraw/zinc/58/37/88/1071583788.db2.gz PIGKRSMLNBMHNV-PZJWPPBQSA-N 0 3 459.708 3.532 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c([C@@H]3CCCN3C(=O)OC(C)(C)C)nnc2N2CCCCCC2)CC1 ZINC001313928618 1071584314 /nfs/dbraw/zinc/58/43/14/1071584314.db2.gz UNKJJLHPGQEVFZ-VXKWHMMOSA-N 0 3 489.709 3.757 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(COc3ccccc3F)nnc2N(C)C2CCCCC2)CC1 ZINC001313928746 1071584443 /nfs/dbraw/zinc/58/44/43/1071584443.db2.gz VXOLXYMCXJGBHX-HXUWFJFHSA-N 0 3 458.626 3.791 20 0 JHADHN CCN(CCc1ccccc1)c1nnc([C@@H]2CCCCO2)n1C[C@@H](C)N1CCN(CC)CC1 ZINC001313929178 1071586137 /nfs/dbraw/zinc/58/61/37/1071586137.db2.gz NWDZJNXOHYRVDD-VWNXMTODSA-N 0 3 454.663 3.615 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(Cc3ccccc3OC)nnc2N(C)CC2CCCC2)CC1 ZINC001313929957 1071588024 /nfs/dbraw/zinc/58/80/24/1071588024.db2.gz ULJQBINEKGTLMZ-NRFANRHFSA-N 0 3 454.663 3.530 20 0 JHADHN CCN(CC(C)C)c1nnc(-c2cnn(-c3ccccc3)c2)n1C[C@H](C)N1CCN(CC)CC1 ZINC001313931423 1071591598 /nfs/dbraw/zinc/59/15/98/1071591598.db2.gz UBWNCIFDQMGHJG-QFIPXVFZSA-N 0 3 464.662 3.639 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(CC(C)C)nnc2N2CCC[C@H]2c2ccc(COC)o2)CC1 ZINC001313931340 1071591660 /nfs/dbraw/zinc/59/16/60/1071591660.db2.gz XYALSEZLNJEXTL-IRLDBZIGSA-N 0 3 458.651 3.584 20 0 JHADHN CCN1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CCn2ccnc2C)C[C@@H]1C ZINC001313931297 1071591816 /nfs/dbraw/zinc/59/18/16/1071591816.db2.gz QVXZTSGVGGJTBI-ROUUACIJSA-N 0 3 458.010 3.807 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(-c3cc(-c4ccccc4)on3)nnc2N(C)CC(F)(F)F)CC1 ZINC001313931970 1071593919 /nfs/dbraw/zinc/59/39/19/1071593919.db2.gz VISLCHXELGUUGN-KRWDZBQOSA-N 0 3 477.535 3.625 20 0 JHADHN CCN(Cc1c(F)cccc1F)c1nnc([C@@H]2CCCCO2)n1C[C@@H](C)N1CCN(CC)CC1 ZINC001313933520 1071598371 /nfs/dbraw/zinc/59/83/71/1071598371.db2.gz ZKDNPCGSKNNNNX-XXBNENTESA-N 0 3 476.616 3.850 20 0 JHADHN CCN1CCN([C@@H]2CCN(c3nnc(-c4ccc(C(C)(C)C)cc4)n3C[C@H](C)COC)C2)CC1 ZINC001313945324 1071626118 /nfs/dbraw/zinc/62/61/18/1071626118.db2.gz MZNMTRXKARQDFP-XUZZJYLKSA-N 0 3 468.690 3.741 20 0 JHADHN CCN1CCN([C@H]2CCN(c3nnc(CC(C)(C)C)n3Cc3cccc(C(F)(F)F)n3)C2)CC1 ZINC001313947265 1071631699 /nfs/dbraw/zinc/63/16/99/1071631699.db2.gz KCUGAJNKKCPENX-IBGZPJMESA-N 0 3 479.595 3.545 20 0 JHADHN CCN1CCN([C@@H]2CCN(c3nnc(CC(C)(C)C)n3CCCSCC(C)C)C2)CC1 ZINC001313948476 1071633962 /nfs/dbraw/zinc/63/39/62/1071633962.db2.gz QSQUXXHMKVYAHO-OAQYLSRUSA-N 0 3 450.741 3.862 20 0 JHADHN CCN1CCN([C@H]2CCN(c3nnc(CCCc4ccccc4)n3CC(C)(C)SC)C2)CC1 ZINC001313951180 1071641126 /nfs/dbraw/zinc/64/11/26/1071641126.db2.gz ZNIIKVVJNSZITE-QHCPKHFHSA-N 0 3 470.731 3.811 20 0 JHADHN CCN1CCN(C[C@H](C)Cn2c(C)nnc2N2CCC(=Cc3cccc(OC)c3)CC2)CC1 ZINC001313951790 1071642987 /nfs/dbraw/zinc/64/29/87/1071642987.db2.gz WIHJVYPGAXADNQ-NRFANRHFSA-N 0 3 452.647 3.553 20 0 JHADHN CCN1CCN(C[C@H](C)Cn2c(COc3ccccc3OC)nnc2N2C[C@H](C)CC[C@H]2C)CC1 ZINC001313952444 1071645860 /nfs/dbraw/zinc/64/58/60/1071645860.db2.gz QEDBXBJZVCWPCD-XPWALMASSA-N 0 3 484.689 3.764 20 0 JHADHN CCN1CCN(C[C@H](C)Cn2c([C@@H]3CCCCO3)nnc2N(C)[C@H](C)c2ccccc2)CC1 ZINC001313954258 1071651295 /nfs/dbraw/zinc/65/12/95/1071651295.db2.gz MNLJKNQGIPLDDE-ZDXQCDESSA-N 0 3 454.663 3.991 20 0 JHADHN CCN1CCN(C[C@@H](C)Cn2c(Cc3csc(C)n3)nnc2N2CCC[C@@H](C)CC2)CC1 ZINC001313954575 1071651776 /nfs/dbraw/zinc/65/17/76/1071651776.db2.gz BXOGHWDAHNKYQA-WOJBJXKFSA-N 0 3 459.708 3.534 20 0 JHADHN CCN1CCN(CCCn2c(CC(C)(C)C)nnc2N2CCO[C@@H](c3ccccc3F)C2)CC1 ZINC001313956808 1071658877 /nfs/dbraw/zinc/65/88/77/1071658877.db2.gz LJIPGLOVLSBWGN-HSZRJFAPSA-N 0 3 472.653 3.611 20 0 JHADHN CCN1CCN(CCCn2c(CSc3ccccc3OC)nnc2N2CCCCCC2)CC1 ZINC001313958605 1071664700 /nfs/dbraw/zinc/66/47/00/1071664700.db2.gz CYRTWWNDNXTJGD-UHFFFAOYSA-N 0 3 472.703 3.987 20 0 JHADHN CCN1CCN(C[C@H](C)Cn2c(COc3cc(C)ccc3C)nnc2N2C[C@H](OC)C(C)(C)C2)CC1 ZINC001313958822 1071665320 /nfs/dbraw/zinc/66/53/20/1071665320.db2.gz YGUMXVDQCFRRPF-DHLKQENFSA-N 0 3 498.716 3.609 20 0 JHADHN CCN1CCN(CCCn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)Cc2ccccc2F)CC1 ZINC001313959090 1071665680 /nfs/dbraw/zinc/66/56/80/1071665680.db2.gz KUMBHDJAIWLKEJ-ISKFKSNPSA-N 0 3 486.680 4.000 20 0 JHADHN CCN1CCN(CCCn2c(COc3ccccc3OC)nnc2N2CCC[C@H](C)CC2)CC1 ZINC001313959797 1071667415 /nfs/dbraw/zinc/66/74/15/1071667415.db2.gz AJBLEIRIXIOHTK-QFIPXVFZSA-N 0 3 470.662 3.520 20 0 JHADHN CCN1CCN(CCCn2c(COc3ccc(Cl)cc3)nnc2N2CCOC(C)(C)[C@H]2C)CC1 ZINC001313959819 1071667493 /nfs/dbraw/zinc/66/74/93/1071667493.db2.gz BBGNYIHNXCWNFF-HXUWFJFHSA-N 0 3 491.080 3.542 20 0 JHADHN CCN1CCN(CCCn2c(COc3ccc(F)cc3)nnc2N2CC[C@H](C(C)C)C2)CC1 ZINC001313960167 1071669339 /nfs/dbraw/zinc/66/93/39/1071669339.db2.gz FGSWDSUEYIATQY-NRFANRHFSA-N 0 3 458.626 3.506 20 0 JHADHN CCNC(=O)N1CCN(c2nnc(CSc3ccc(Cl)cc3)n2CCN2CCCCC2)CC1 ZINC001314005459 1071741682 /nfs/dbraw/zinc/74/16/82/1071741682.db2.gz YSJRGOWCNAROIP-UHFFFAOYSA-N 0 3 492.093 3.561 20 0 JHADHN CCOC(=O)N1CCN(c2nnc(CSc3ccc(Cl)cc3)n2CCN2CCCC2)CC1 ZINC001314024768 1071783867 /nfs/dbraw/zinc/78/38/67/1071783867.db2.gz QSYBGDSLAUUSAO-UHFFFAOYSA-N 0 3 479.050 3.598 20 0 JHADHN CCOC(=O)N[C@H]1CCCN(c2nnc(C3CC3)n2C[C@@H](c2ccc(CC)cc2)N(C)C)C1 ZINC001314041022 1071842417 /nfs/dbraw/zinc/84/24/17/1071842417.db2.gz ZHFUOKVAJHFEIV-VXKWHMMOSA-N 0 3 454.619 3.736 20 0 JHADHN CCO[C@]1(c2nnc(N(C)Cc3ccccc3)n2C[C@@H](c2cccs2)N(C)C)CCOC1 ZINC001314080829 1071942588 /nfs/dbraw/zinc/94/25/88/1071942588.db2.gz GMYHGKCOBMADCQ-GBXCKJPGSA-N 0 3 455.628 3.931 20 0 JHADHN CCO[C@]1(c2nnc(N3C[C@H](C)N(CC)C[C@@H]3C)n2CCC2CC(OC(C)(C)C)C2)CCOC1 ZINC001314105905 1071996419 /nfs/dbraw/zinc/99/64/19/1071996419.db2.gz WNLSROICLKZFTJ-WADCZYOHSA-N 0 3 477.694 3.833 20 0 JHADHN CCO[C@@]1(c2nnc(N3CCN(CCC(C)(C)C)CC3)n2Cc2cccc(N(C)C)c2)CCOC1 ZINC001314135445 1072047894 /nfs/dbraw/zinc/04/78/94/1072047894.db2.gz LYFNRBOQBMVACH-MHZLTWQESA-N 0 3 484.689 3.603 20 0 JHADHN CCO[C@@]1(c2nnc(N3CCN(CC(C)C)CC3)n2CCSc2ccccc2)CCOC1 ZINC001314134970 1072047405 /nfs/dbraw/zinc/04/74/05/1072047405.db2.gz JZYBFVLGRDAVNO-DEOSSOPVSA-N 0 3 459.660 3.501 20 0 JHADHN CCO[C@]1(c2nnc(N3CCS[C@@H](C(C)C)C3)n2C[C@@H](c2ccccc2)N(C)C)CCOC1 ZINC001314139421 1072052589 /nfs/dbraw/zinc/05/25/89/1072052589.db2.gz AAWLFABHAZMWJJ-SGIRGMQISA-N 0 3 473.687 3.811 20 0 JHADHN CCO[C@]1(c2nnc(N3CCSC(CC)(CC)C3)n2CCN2CCCCC2)CCOC1 ZINC001314144323 1072061177 /nfs/dbraw/zinc/06/11/77/1072061177.db2.gz NHUZKLWQZXLLMQ-HSZRJFAPSA-N 0 3 451.681 3.528 20 0 JHADHN CCc1nc(C)c([C@@H](C)N(C)c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2CCCN2CC)s1 ZINC001306006212 1068384571 /nfs/dbraw/zinc/38/45/71/1068384571.db2.gz VPXLFQIXEIJOIW-MSOLQXFVSA-N 0 3 482.658 3.934 20 0 JHADHN CCc1nc(CCn2c(-c3cccc(Br)c3)nnc2N2CCN(CC(C)C)CC2)no1 ZINC001306018253 1068404626 /nfs/dbraw/zinc/40/46/26/1068404626.db2.gz VOFQRCZDHCATGJ-UHFFFAOYSA-N 0 3 488.434 3.674 20 0 JHADHN CCc1nn(C)c(CC)c1Cn1c(-c2cccc(OC)c2)nnc1N1C[C@H](C)N(CC)C[C@H]1C ZINC001306044219 1068462651 /nfs/dbraw/zinc/46/26/51/1068462651.db2.gz YRVCDSNQZQMPTQ-RBUKOAKNSA-N 0 3 465.646 3.779 20 0 JHADHN CCc1nnc(N2CCC(NC(=O)c3ccsc3)CC2)n1C[C@H](c1cccc(F)c1)N(C)C ZINC001306142932 1068544872 /nfs/dbraw/zinc/54/48/72/1068544872.db2.gz FXHOJDHXBGHDAJ-OAQYLSRUSA-N 0 3 470.618 3.743 20 0 JHADHN CCc1nnc(N2CCC[C@H](N(C)C(=O)OC(C)(C)C)C2)n1C[C@H](c1cccc(OC)c1)N(C)C ZINC001306164717 1068560180 /nfs/dbraw/zinc/56/01/80/1068560180.db2.gz APGYCRALXLCMAT-RBBKRZOGSA-N 0 3 486.661 3.988 20 0 JHADHN CCc1nnc(N2CCN(C(=O)CC3CCCCC3)CC2)n1C[C@@H](c1ccc(F)cc1)N(C)C ZINC001306186069 1068577644 /nfs/dbraw/zinc/57/76/44/1068577644.db2.gz RDDWTAFYFKDARO-QHCPKHFHSA-N 0 3 470.637 3.902 20 0 JHADHN CCc1noc(C)c1Cn1c(-c2cc(Br)cn2C)nnc1N1CCN(CC(C)C)CC1 ZINC001306232741 1068622737 /nfs/dbraw/zinc/62/27/37/1068622737.db2.gz LDSNEHKKMSCALL-UHFFFAOYSA-N 0 3 490.450 3.731 20 0 JHADHN CCc1noc(C)c1Cn1c(COc2cccc(C)c2)nnc1N1CCN(CC(C)C)CC1 ZINC001306238784 1068633013 /nfs/dbraw/zinc/63/30/13/1068633013.db2.gz NTBLIHCOBUYDKK-UHFFFAOYSA-N 0 3 452.603 3.851 20 0 JHADHN CCc1nsc(N2CCN(c3nnc(C(C)C)n3C[C@H](c3cccs3)N(C)C)CC2)n1 ZINC001306240515 1068640240 /nfs/dbraw/zinc/64/02/40/1068640240.db2.gz FBXFXIGBMMNXHW-MRXNPFEDSA-N 0 3 460.677 3.506 20 0 JHADHN CC[C@H]1[C@@H](C)CCN1c1nnc(COc2ccccc2F)n1CCCN1CCN(CC)CC1 ZINC001306275715 1068689303 /nfs/dbraw/zinc/68/93/03/1068689303.db2.gz HOEWVLAIUSQMDA-UNMCSNQZSA-N 0 3 458.626 3.649 20 0 JHADHN CC[C@H]1CCCCN1CCn1c(-c2ccccc2Cl)nnc1N(C)[C@@H](C)CS(C)(=O)=O ZINC001306321068 1068750958 /nfs/dbraw/zinc/75/09/58/1068750958.db2.gz YLUBBJMCXSOTMI-ROUUACIJSA-N 0 3 468.067 3.732 20 0 JHADHN CC[C@@H]1CCCCN1CCn1c(-c2c[nH]c3ccccc23)nnc1N(C)CCS(=O)(=O)CC ZINC001306322305 1068753194 /nfs/dbraw/zinc/75/31/94/1068753194.db2.gz JGPUPJKMGUXFIF-LJQANCHMSA-N 0 3 472.659 3.562 20 0 JHADHN CC[C@@H]1CCCN1c1nnc([C@@H](C)Oc2ccc(F)cc2)n1C[C@@H](C)N1CCN(CC)CC1 ZINC001306342428 1068779063 /nfs/dbraw/zinc/77/90/63/1068779063.db2.gz QPYNIPBWCZGYEQ-KCZVDYSFSA-N 0 3 458.626 3.962 20 0 JHADHN CCC1CCN(c2nnc(COc3ccccc3F)n2CCCN2CCC[C@H]2C(=O)N(C)C)CC1 ZINC001306380827 1068812329 /nfs/dbraw/zinc/81/23/29/1068812329.db2.gz FQUKEIBBDAMIBN-QFIPXVFZSA-N 0 3 486.636 3.565 20 0 JHADHN CC[C@@H]1CN(c2nnc(Cc3ccc(F)cc3)n2C[C@@H](C)CN2CCN(CC)CC2)CCS1 ZINC001306438192 1068943297 /nfs/dbraw/zinc/94/32/97/1068943297.db2.gz KQPHTUCOWSSKSE-NZQKXSOJSA-N 0 3 474.694 3.613 20 0 JHADHN CC[C@H]1CN(c2nnc(Cc3csc(C)n3)n2CCN(C)Cc2ccccc2)C[C@H](C)O1 ZINC001306443395 1068954169 /nfs/dbraw/zinc/95/41/69/1068954169.db2.gz CYZBQOZXSXHEFJ-AVRDEDQJSA-N 0 3 454.644 3.770 20 0 JHADHN CC/C=C/Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(C2CCCC2)CC1 ZINC001306467481 1069007629 /nfs/dbraw/zinc/00/76/29/1069007629.db2.gz UYTOHXJCBODLFZ-ZZXKWVIFSA-N 0 3 457.022 3.892 20 0 JHADHN CC/C=C/Cn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C2CCCC2)CC1 ZINC001306479752 1069020540 /nfs/dbraw/zinc/02/05/40/1069020540.db2.gz RHJVATMXXXRGFT-JLXBBBJOSA-N 0 3 474.650 3.617 20 0 JHADHN COc1ccc([C@H](NC(C)C)C(=O)N[C@@H](C)CC(=O)Nc2cccc(N3CCCC3)c2)cc1 ZINC001306490039 1069028880 /nfs/dbraw/zinc/02/88/80/1069028880.db2.gz JRPKYYYEPZBPAH-DFBJGRDBSA-N 0 3 452.599 3.868 20 0 JHADHN CCN1CCN(c2cccc(NC(=O)N[C@H](c3nccn3C)c3ccc(F)c(F)c3)c2)CC1 ZINC001310596471 1069039896 /nfs/dbraw/zinc/03/98/96/1069039896.db2.gz KYMXRCSLNIYHCT-QFIPXVFZSA-N 0 3 454.525 3.751 20 0 JHADHN CCN1CCN(c2cccc(NC(=O)N[C@@H](C)C3CCN(C(=O)OC(C)(C)C)CC3)c2)CC1 ZINC001310596424 1069040054 /nfs/dbraw/zinc/04/00/54/1069040054.db2.gz KHTFEHBBLPOGGQ-IBGZPJMESA-N 0 3 459.635 3.986 20 0 JHADHN CN1CCN(Cc2ccc(CNC(=O)Nc3ccc(-c4noc(C(F)F)n4)cc3)cc2)CC1 ZINC001310660931 1069093995 /nfs/dbraw/zinc/09/39/95/1069093995.db2.gz STGCIEBOJVGTOA-UHFFFAOYSA-N 0 3 456.497 3.743 20 0 JHADHN CCC[C@](C)(O)Cn1c([C@@H](C)Oc2cccc(C)c2C)nnc1N1CCN(C2CCOCC2)CC1 ZINC001306530383 1069169358 /nfs/dbraw/zinc/16/93/58/1069169358.db2.gz WORJQTNQWBYPDS-AMGIVPHBSA-N 0 3 485.673 3.887 20 0 JHADHN CCC[C@](C)(O)Cn1c(-c2ccccc2Cl)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC001306533956 1069176792 /nfs/dbraw/zinc/17/67/92/1069176792.db2.gz XJNRDBJCPZEUSW-NLFFAJNJSA-N 0 3 475.081 3.754 20 0 JHADHN O=C(Nc1ccc(Cl)cc1OCC(F)F)N[C@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC001310824125 1069179096 /nfs/dbraw/zinc/17/90/96/1069179096.db2.gz SPOZJDWCZIYWDG-WMZOPIPTSA-N 0 3 453.917 3.988 20 0 JHADHN CC[C@H](C)Oc1cccc(NC(=O)N2CCC[C@H](CN3CCN(c4ccccn4)CC3)C2)n1 ZINC001311128150 1069279813 /nfs/dbraw/zinc/27/98/13/1069279813.db2.gz RKSKXLNEUBHLCD-LEWJYISDSA-N 0 3 452.603 3.720 20 0 JHADHN CC[C@@H](C)Oc1cccc(NC(=O)N2CCC[C@@H](CN3CCN(c4ccccn4)CC3)C2)n1 ZINC001311128152 1069279900 /nfs/dbraw/zinc/27/99/00/1069279900.db2.gz RKSKXLNEUBHLCD-RTWAWAEBSA-N 0 3 452.603 3.720 20 0 JHADHN CN(C(=O)Nc1ccc2c(c1)OCC(C)(C)C(=O)N2)C1CCN(CCc2ccccn2)CC1 ZINC001311140982 1069282331 /nfs/dbraw/zinc/28/23/31/1069282331.db2.gz PMSMJEOIGMMNRA-UHFFFAOYSA-N 0 3 451.571 3.610 20 0 JHADHN CCOC(=O)c1cnc(C(F)(F)N2CCC[C@H]3CN(Cc4ccccc4)C[C@H]32)nc1Cl ZINC001164618229 719055698 /nfs/dbraw/zinc/05/56/98/719055698.db2.gz AFNDANMGQHQQGT-FUHWJXTLSA-N 0 3 450.917 3.952 20 0 JHADHN CCOC(=O)c1cnc(Cl)nc1C(F)(F)N1CCC[C@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC001164625382 719056064 /nfs/dbraw/zinc/05/60/64/719056064.db2.gz PJMYLCKKZVNORT-WMZOPIPTSA-N 0 3 450.917 3.952 20 0 JHADHN O=S1(=O)c2ccccc2[C@]2(CCN(c3ccc(CN4CCCC4)cn3)C2)N1Cc1ccccc1 ZINC001164650392 719322661 /nfs/dbraw/zinc/32/26/61/719322661.db2.gz DIHDLUZYVLINGS-HHHXNRCGSA-N 0 3 474.630 3.988 20 0 JHADHN Fc1ccc(-c2nc(Cl)cc(N3CCN4C[C@H](Oc5cncnc5)C[C@H]4C3)n2)cc1Cl ZINC001164749989 720800946 /nfs/dbraw/zinc/80/09/46/720800946.db2.gz UYELXLCFMUHLNU-LSDHHAIUSA-N 0 3 461.328 3.721 20 0 JHADHN Cc1sc2nc(CN3CCCCC3)nc(-n3nc(C(=O)N4CCC[C@H]4C)c4c3CCNC4)c2c1C ZINC001164850555 720806218 /nfs/dbraw/zinc/80/62/18/720806218.db2.gz JIEHKVGZGOTPFZ-MRXNPFEDSA-N 0 3 493.681 3.750 20 0 JHADHN CC(C)CN1[C@@H]2CCN(c3ncccc3CN3CCCC3)CC[C@@H]2Oc2ccccc2S1(=O)=O ZINC001164756397 720973049 /nfs/dbraw/zinc/97/30/49/720973049.db2.gz HUIWCSCGGAMVHY-PKTZIBPZSA-N 0 3 484.666 3.754 20 0 JHADHN CC(C)N(C)Cc1cnc2n1CCN(c1ccc(S(=O)(=O)Nc3cc(F)ccc3F)cn1)[C@H]2C ZINC001164858834 721009751 /nfs/dbraw/zinc/00/97/51/721009751.db2.gz HSNZLQUPDXNCGZ-INIZCTEOSA-N 0 3 490.580 3.779 20 0 JHADHN O=C(NCc1ccccc1)c1cc(Cl)nc(N2CCN3C[C@H](OCc4cccnc4)C[C@H]3C2)c1 ZINC001164868377 721062394 /nfs/dbraw/zinc/06/23/94/721062394.db2.gz OFTGRRDMJKYIRY-XZOQPEGZSA-N 0 3 477.996 3.540 20 0 JHADHN Cn1cc(CN2CC[C@@H]3CN(c4ccc(-c5ccc(C6OCCCO6)cc5)cn4)C[C@@H]3C2)cn1 ZINC001164764185 721179430 /nfs/dbraw/zinc/17/94/30/721179430.db2.gz GLBABAOPZKVVAF-RPBOFIJWSA-N 0 3 459.594 3.876 20 0 JHADHN O=C(c1cc(Cl)nc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@H]3C2)c1)N1CCCCC1 ZINC001164899757 721520415 /nfs/dbraw/zinc/52/04/15/721520415.db2.gz MINUQRPLKPBPRO-PZJWPPBQSA-N 0 3 458.965 3.842 20 0 JHADHN COC(=O)c1ccc2c(c1)nc(Cl)nc2N1CCN2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164903009 721535173 /nfs/dbraw/zinc/53/51/73/721535173.db2.gz BUPHUAOHLFCKLC-AEFFLSMTSA-N 0 3 456.905 3.551 20 0 JHADHN COc1ccc(CN(C)c2ccnc(N3CCN4C[C@@H](Oc5cccc(F)c5)C[C@@H]4C3)n2)cc1 ZINC001164910356 721563818 /nfs/dbraw/zinc/56/38/18/721563818.db2.gz WJSFYRQSSOULDC-QPPBQGQZSA-N 0 3 463.557 3.603 20 0 JHADHN CCOC(=O)c1cc2ccc(N3CCC(F)(F)[C@@]4(CCN(Cc5ccccn5)C4)C3)[nH]c-2n1 ZINC001164904868 721715434 /nfs/dbraw/zinc/71/54/34/721715434.db2.gz DRFBQEBHMFWYDT-HSZRJFAPSA-N 0 3 455.509 3.872 20 0 JHADHN CCOC(=O)c1cnc2cc(N3CCC(F)(F)[C@]4(CCN(Cc5ccccn5)C4)C3)[nH]cc1-2 ZINC001164906191 721721464 /nfs/dbraw/zinc/72/14/64/721721464.db2.gz KRVFNAJODFAJFQ-QHCPKHFHSA-N 0 3 455.509 3.872 20 0 JHADHN COC(=O)c1c[nH]c2nc(Cl)nc(N3CCC(F)(F)[C@]4(CCN(Cc5ccccn5)C4)C3)c12 ZINC001164906144 721721866 /nfs/dbraw/zinc/72/18/66/721721866.db2.gz KFWDPSROWMHKBK-NRFANRHFSA-N 0 3 476.915 3.531 20 0 JHADHN c1ccc(CN2CCc3c(ncnc3N3CCC4(CC3)COCCN(Cc3ccncc3)C4)C2)cc1 ZINC001164963216 722055060 /nfs/dbraw/zinc/05/50/60/722055060.db2.gz ISERXZKJLSYGFO-UHFFFAOYSA-N 0 3 484.648 3.549 20 0 JHADHN FC(F)(c1ccc2nc(Cl)cnc2c1)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164980441 722112958 /nfs/dbraw/zinc/11/29/58/722112958.db2.gz RETKICKQCOUNAQ-UTKZUKDTSA-N 0 3 459.928 3.950 20 0 JHADHN CCOc1cc2ncnc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)c2cc1OCC ZINC001164971396 722118369 /nfs/dbraw/zinc/11/83/69/722118369.db2.gz BXEQICGCQAWMRO-NBGIEHNGSA-N 0 3 463.582 3.550 20 0 JHADHN FC(F)(Cc1nc(Cl)cc(Cl)n1)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164972759 722135918 /nfs/dbraw/zinc/13/59/18/722135918.db2.gz AKTUEHUDXFEOBE-HOTGVXAUSA-N 0 3 458.340 3.537 20 0 JHADHN FC(F)(c1cc(Cl)nc(-c2ccccn2)n1)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164977019 722145911 /nfs/dbraw/zinc/14/59/11/722145911.db2.gz HOAWNZITAHUMGR-ICSRJNTNSA-N 0 3 486.954 3.859 20 0 JHADHN c1csc(-c2noc(-c3ccnc(N4CC[C@@H]5CN(Cc6cccnc6)CCO[C@H]5C4)c3)n2)c1 ZINC001164985439 722149677 /nfs/dbraw/zinc/14/96/77/722149677.db2.gz ZLYIWKWXIJEINP-RTWAWAEBSA-N 0 3 474.590 3.982 20 0 JHADHN Clc1nnc(Cl)c(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)c1N1CCCCC1 ZINC001164973083 722158938 /nfs/dbraw/zinc/15/89/38/722158938.db2.gz LAPNKMVMJWCPSO-OALUTQOASA-N 0 3 477.440 3.896 20 0 JHADHN CCC[C@@H]1CN(c2nnc(CC(C)(C)C)n2C[C@H]2CCC[C@@]3(CCOC3)O2)CCN1CCOC ZINC001306628095 1069325862 /nfs/dbraw/zinc/32/58/62/1069325862.db2.gz DEBARKCXXHYXTH-DRLORSAXSA-N 0 3 477.694 3.532 20 0 JHADHN CC1CC[NH+](Cc2cccc(CNC(=O)N3CCC(C[N-]C(=O)C(F)(F)F)CC3)c2)CC1 ZINC001311341120 1069329904 /nfs/dbraw/zinc/32/99/04/1069329904.db2.gz NUKVZJCONPOUAC-UHFFFAOYSA-N 0 3 454.537 3.519 20 0 JHADHN CCN1CCN(Cc2ccccc2CNC(=O)N2CC[C@@H](c3ccc(OC)c(F)c3)C2)CC1 ZINC001311359555 1069343354 /nfs/dbraw/zinc/34/33/54/1069343354.db2.gz ZZKGRQYEFIDSPF-HSZRJFAPSA-N 0 3 454.590 3.671 20 0 JHADHN CCN1CCN(Cc2ccccc2CNC(=O)N2CC[C@H](c3ccc(OC)c(F)c3)C2)CC1 ZINC001311359556 1069343432 /nfs/dbraw/zinc/34/34/32/1069343432.db2.gz ZZKGRQYEFIDSPF-QHCPKHFHSA-N 0 3 454.590 3.671 20 0 JHADHN CCC[C@@H]1CN(c2nnc(-c3ccccc3Cl)n2CC2CCOCC2)CCN1CCOC ZINC001306642297 1069353637 /nfs/dbraw/zinc/35/36/37/1069353637.db2.gz ICPCZXNLFVJBJR-HXUWFJFHSA-N 0 3 462.038 3.962 20 0 JHADHN Cc1ccc(CN2CC[C@@H](NC(=O)NC[C@H](c3ccccc3Cl)N3CCOCC3)C2)cc1 ZINC001311388520 1069357061 /nfs/dbraw/zinc/35/70/61/1069357061.db2.gz DNMBYFNUXGPPFS-ZJSXRUAMSA-N 0 3 457.018 3.595 20 0 JHADHN CC[C@@H](CNC(=O)NC[C@H](c1cccc(C)c1)N1CCOCC1)N1CCc2ccccc2C1 ZINC001311392901 1069360103 /nfs/dbraw/zinc/36/01/03/1069360103.db2.gz XEQUIJFHLSZNGD-IZZNHLLZSA-N 0 3 450.627 3.504 20 0 JHADHN CC(C)C[C@H]1CN(CCCc2ccccc2)CCN1C(=O)NC[C@@H]1CN(CC(C)C)CCO1 ZINC001311440197 1069381256 /nfs/dbraw/zinc/38/12/56/1069381256.db2.gz CGQWZTKFBZXVNB-IZZNHLLZSA-N 0 3 458.691 3.718 20 0 JHADHN CCCCN(C)C(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@H](c2ccc(C)cc2)N(C)C)CC1 ZINC001306665587 1069392319 /nfs/dbraw/zinc/39/23/19/1069392319.db2.gz OCVUQUQDYIODNE-LOSJGSFVSA-N 0 3 496.700 3.868 20 0 JHADHN CCN(CC)[C@H](CNC(=O)NC[C@](O)(c1ccccc1)C(F)(F)F)c1cccc(OC)c1 ZINC001311469197 1069392816 /nfs/dbraw/zinc/39/28/16/1069392816.db2.gz JPXGEWWNSMEETF-IRLDBZIGSA-N 0 3 453.505 3.827 20 0 JHADHN CCN(CC)[C@H](CNC(=O)N[C@@H]1CCCN(Cc2ccccc2)C1=O)c1cccc(OC)c1 ZINC001311469669 1069393469 /nfs/dbraw/zinc/39/34/69/1069393469.db2.gz NPTDESPXCIQPBW-DNQXCXABSA-N 0 3 452.599 3.569 20 0 JHADHN O=C(NCCOc1ccc(C(F)(F)F)cc1)NC[C@H]1CN(Cc2ccccc2)CCCO1 ZINC001311530134 1069425160 /nfs/dbraw/zinc/42/51/60/1069425160.db2.gz VUDABGKQOAODNV-NRFANRHFSA-N 0 3 451.489 3.675 20 0 JHADHN CCCCN(CC)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1C[C@@H](C)C[C@H](C)C1 ZINC001306694603 1069431489 /nfs/dbraw/zinc/43/14/89/1069431489.db2.gz JMDCHQNTFNOFDQ-SLFFLAALSA-N 0 3 453.697 3.563 20 0 JHADHN CSc1ccccc1OC[C@@H](O)CN(C(=O)N[C@H]1CCN(Cc2ccccc2)C1)C(C)C ZINC001311578525 1069447399 /nfs/dbraw/zinc/44/73/99/1069447399.db2.gz ODVWBDJAKSELIY-VXKWHMMOSA-N 0 3 457.640 3.843 20 0 JHADHN CCc1ccc([C@@H](CNC(=O)N2CCCN(c3cc(OC)cc(OC)c3)CC2)N(C)C)cc1 ZINC001311571269 1069442716 /nfs/dbraw/zinc/44/27/16/1069442716.db2.gz PCKRZDRDOHQHDO-RUZDIDTESA-N 0 3 454.615 3.791 20 0 JHADHN CSc1ccccc1OC[C@H](O)CN(C(=O)N[C@H]1CCN(Cc2ccccc2)C1)C(C)C ZINC001311578523 1069447568 /nfs/dbraw/zinc/44/75/68/1069447568.db2.gz ODVWBDJAKSELIY-FCHUYYIVSA-N 0 3 457.640 3.843 20 0 JHADHN CCCN(C(=O)NCC1(N2CCSCC2)CCCC1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC001311584366 1069450634 /nfs/dbraw/zinc/45/06/34/1069450634.db2.gz PCLPLMCSEKZIPX-IBGZPJMESA-N 0 3 454.681 3.779 20 0 JHADHN CC(C)(C)OC(=O)NCC12CCC(CC1)N2C(=O)NCC1(N2CCSCC2)CCCC1 ZINC001311584903 1069451133 /nfs/dbraw/zinc/45/11/33/1069451133.db2.gz UBDZWLRWDZKESA-UHFFFAOYSA-N 0 3 452.665 3.579 20 0 JHADHN CSc1ccc([C@H](CNC(=O)N[C@@H](CN2CCOCC2)c2ccc(C)cc2)N(C)C)cc1 ZINC001311595647 1069457466 /nfs/dbraw/zinc/45/74/66/1069457466.db2.gz XGMXYIXLNUMGEH-ZEQRLZLVSA-N 0 3 456.656 3.692 20 0 JHADHN O=C(NCc1cc(F)ccc1Br)NC[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC001311619915 1069470504 /nfs/dbraw/zinc/47/05/04/1069470504.db2.gz JMFZWZUTQJBLCF-LJQANCHMSA-N 0 3 450.352 3.679 20 0 JHADHN C[C@H](NC(=O)NCCCCN1CCN(Cc2ccccc2)CC1)[C@@H]1OCCc2sccc21 ZINC001311629313 1069478169 /nfs/dbraw/zinc/47/81/69/1069478169.db2.gz BENUKFKQXPSBAV-RDPSFJRHSA-N 0 3 456.656 3.648 20 0 JHADHN O=C(NCCCCN1CCN(Cc2ccccc2)CC1)N1CC[C@H](COc2ccccc2)C1 ZINC001311629878 1069478226 /nfs/dbraw/zinc/47/82/26/1069478226.db2.gz IDFVOJVORJMIMG-VWLOTQADSA-N 0 3 450.627 3.695 20 0 JHADHN C[C@@H]1CN(Cc2cccc(CNC(=O)N3CC[C@@H](C)N(Cc4ccccc4)CC3)c2)CCO1 ZINC001311664095 1069493390 /nfs/dbraw/zinc/49/33/90/1069493390.db2.gz IAECMVVCDNITDB-DHIUTWEWSA-N 0 3 450.627 3.713 20 0 JHADHN CC(C)C1CCC(N2CCN(C(=O)NCc3ccc(Cn4ccccc4=O)cc3)CC2)CC1 ZINC001311703932 1069511125 /nfs/dbraw/zinc/51/11/25/1069511125.db2.gz JYKVCJMSSBERRP-UHFFFAOYSA-N 0 3 450.627 3.939 20 0 JHADHN CCCCNC(=O)[C@H]1CCCN(c2nnc(-c3ccccn3)n2C[C@H](c2cccc(F)c2)N(C)C)C1 ZINC001306740878 1069514605 /nfs/dbraw/zinc/51/46/05/1069514605.db2.gz WLCOPPWJKJWDGO-XUZZJYLKSA-N 0 3 493.631 3.915 20 0 JHADHN COc1cccc([C@H](O)C2CCN(C(=O)NCC(C)(C)N3CCc4ccccc4C3)CC2)c1 ZINC001311720106 1069518956 /nfs/dbraw/zinc/51/89/56/1069518956.db2.gz MPGKIYUKJYZIAJ-RUZDIDTESA-N 0 3 451.611 3.987 20 0 JHADHN CCCCNC(=O)C1CCN(c2nnc(CC)n2CC(C)(C)N2CCc3ccccc3C2)CC1 ZINC001306743951 1069523598 /nfs/dbraw/zinc/52/35/98/1069523598.db2.gz STVQGDCBXLXUDF-UHFFFAOYSA-N 0 3 466.674 3.810 20 0 JHADHN CCCCNC(=O)C1CCN(c2nnc(-c3cccnc3)n2C[C@H](c2cccs2)N(C)C)CC1 ZINC001306746250 1069530646 /nfs/dbraw/zinc/53/06/46/1069530646.db2.gz ZXUOGIHPPLZEPG-OAQYLSRUSA-N 0 3 481.670 3.837 20 0 JHADHN C[C@@H]1CN(Cc2ccccc2)CCCN1C(=O)NC[C@@H](c1cccc(F)c1)N1CCOCC1 ZINC001311760437 1069535878 /nfs/dbraw/zinc/53/58/78/1069535878.db2.gz COFSTDVUBQVWGK-BWKNWUBXSA-N 0 3 454.590 3.505 20 0 JHADHN C[C@H](CC(=O)Nc1cccc(N2CCCC2)c1)NC(=O)N[C@H](CN(C)C)c1ccc(F)cc1 ZINC001311849024 1069578536 /nfs/dbraw/zinc/57/85/36/1069578536.db2.gz YFKKEYIAQKFJJM-WZONZLPQSA-N 0 3 455.578 3.745 20 0 JHADHN C[C@H](CC(=O)Nc1cccc(N2CCCC2)c1)NC(=O)N[C@@H](CN(C)C)c1ccc(F)cc1 ZINC001311849022 1069578569 /nfs/dbraw/zinc/57/85/69/1069578569.db2.gz YFKKEYIAQKFJJM-JPYJTQIMSA-N 0 3 455.578 3.745 20 0 JHADHN CN1CCN(Cc2cccc(CNC(=O)N3CCC(Cc4cc(F)cc(F)c4)CC3)c2)CC1 ZINC001311860867 1069586212 /nfs/dbraw/zinc/58/62/12/1069586212.db2.gz MOMBOWCBJUXELI-UHFFFAOYSA-N 0 3 456.581 3.877 20 0 JHADHN COc1ccc(C(C)(C)CNC(=O)N(C)C2CCN(CCc3ccccn3)CC2)cc1OC ZINC001311878626 1069592950 /nfs/dbraw/zinc/59/29/50/1069592950.db2.gz OFSFTHZMWCIELA-UHFFFAOYSA-N 0 3 454.615 3.725 20 0 JHADHN C[C@@H](CNC(=O)N1CCn2c(Cc3ccccc3Cl)nnc2C1)N(C)Cc1ccccc1 ZINC001311986438 1069651466 /nfs/dbraw/zinc/65/14/66/1069651466.db2.gz KJQQHRVJHFHDBK-SFHVURJKSA-N 0 3 452.990 3.568 20 0 JHADHN O=C(N[C@@H](CN1CCCCC1)c1ccccc1)N1CCCN(C(=O)c2ccc(F)cc2)CC1 ZINC001312010746 1069667578 /nfs/dbraw/zinc/66/75/78/1069667578.db2.gz FDTJYFWHJZHWTC-DEOSSOPVSA-N 0 3 452.574 3.910 20 0 JHADHN COc1cc(N[C@H]2CCCN(C(=O)NC[C@@H]3CCCN3Cc3ccccc3)C2)cc(OC)c1 ZINC001312022708 1069675895 /nfs/dbraw/zinc/67/58/95/1069675895.db2.gz AYLXQAGWZYPTPN-GMAHTHKFSA-N 0 3 452.599 3.954 20 0 JHADHN CCOc1ccc(-c2nnc(N3CCN(C(=O)[C@H]4CCCN4C)CC3)n2CCCC(C)C)cc1OC ZINC001314174339 1069697457 /nfs/dbraw/zinc/69/74/57/1069697457.db2.gz QNXIEQORPMWITD-JOCHJYFZSA-N 0 3 498.672 3.531 20 0 JHADHN CCOc1ccc([C@@H]2CCCN2c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](C)N(CC)CC)cc1 ZINC001314180966 1069723930 /nfs/dbraw/zinc/72/39/30/1069723930.db2.gz UJOSMSRZUORKDN-LSWJPFSZSA-N 0 3 489.686 3.651 20 0 JHADHN CCCn1c(COc2ccc(Cl)cc2Cl)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001307030220 1069737603 /nfs/dbraw/zinc/73/76/03/1069737603.db2.gz IHYSDQXTIKTMGN-MRXNPFEDSA-N 0 3 454.402 3.732 20 0 JHADHN CC(=O)Nc1ccc(CN2CCC(NC(=O)NC[C@@H]3SCCc4ccccc43)CC2)cc1 ZINC001312124834 1069733680 /nfs/dbraw/zinc/73/36/80/1069733680.db2.gz XGBAOVKOOSSFGC-DEOSSOPVSA-N 0 3 452.624 3.939 20 0 JHADHN CC(=O)Nc1ccc(CN2CCC(NC(=O)NC[C@H]3SCCc4ccccc43)CC2)cc1 ZINC001312124836 1069733709 /nfs/dbraw/zinc/73/37/09/1069733709.db2.gz XGBAOVKOOSSFGC-XMMPIXPASA-N 0 3 452.624 3.939 20 0 JHADHN C[C@H](c1ccccc1)[C@H](C)NC(=O)N1CCC(C(=O)NCCN(C)Cc2ccccc2)CC1 ZINC001312153423 1069751862 /nfs/dbraw/zinc/75/18/62/1069751862.db2.gz LDHHWGUICWFDGD-VXKWHMMOSA-N 0 3 450.627 3.848 20 0 JHADHN CCCN1CC[C@H](Cn2c(Cc3ccc(Cl)cc3)nnc2N(C)[C@H](C)[C@@H](C)S(C)(=O)=O)C1 ZINC001307039185 1069763559 /nfs/dbraw/zinc/76/35/59/1069763559.db2.gz SFCHODHMOSYEMZ-GGPKGHCWSA-N 0 3 482.094 3.512 20 0 JHADHN COc1ccc2c(c1)OC(C)(C)CN(C(=O)NCc1ccccc1CN1CCC(O)CC1)C2 ZINC001312205332 1069780629 /nfs/dbraw/zinc/78/06/29/1069780629.db2.gz LEFWELNMMKYILH-UHFFFAOYSA-N 0 3 453.583 3.535 20 0 JHADHN CN(C(=O)NCc1ccccc1CN1CCC(O)CC1)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC001312205746 1069781349 /nfs/dbraw/zinc/78/13/49/1069781349.db2.gz MXGHIRWUGFZPDV-ZCYQVOJMSA-N 0 3 455.574 3.844 20 0 JHADHN CN(C(=O)NCc1ccccc1CN1CCC(O)CC1)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC001312205745 1069781394 /nfs/dbraw/zinc/78/13/94/1069781394.db2.gz MXGHIRWUGFZPDV-UKILVPOCSA-N 0 3 455.574 3.844 20 0 JHADHN C[C@@H](NC(=O)NCc1nnc2c(Cl)cc(C(F)(F)F)cn12)[C@@H](c1ccccc1)N(C)C ZINC001312207091 1069781986 /nfs/dbraw/zinc/78/19/86/1069781986.db2.gz CVZBSUVPMXZDJP-PXAZEXFGSA-N 0 3 454.884 3.892 20 0 JHADHN CCOc1ccc(O[C@@H](C)c2nnc(N3CCC(F)(F)C3)n2C[C@@H](C)N2CCN(CC)CC2)cc1 ZINC001314199034 1069786704 /nfs/dbraw/zinc/78/67/04/1069786704.db2.gz RADFVFWYFHTEFI-UXHICEINSA-N 0 3 492.615 3.688 20 0 JHADHN O=C(NCCc1csc(-c2ccccc2)n1)N[C@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC001312264065 1069821784 /nfs/dbraw/zinc/82/17/84/1069821784.db2.gz BWXKVTNUULSMPS-GMAHTHKFSA-N 0 3 450.608 3.535 20 0 JHADHN CCOc1ccccc1OCc1nnc(N2C[C@H](C)N(CC)C[C@H]2C)n1CC[C@H]1CCOC1 ZINC001314219421 1069862203 /nfs/dbraw/zinc/86/22/03/1069862203.db2.gz YQBZENIGZXOYCE-HBMCJLEFSA-N 0 3 457.619 3.601 20 0 JHADHN CCCN1CCCC[C@@H]1Cn1c(-c2c[nH]c3ccccc23)nnc1N(C)[C@@H](C)CS(C)(=O)=O ZINC001307063233 1069861847 /nfs/dbraw/zinc/86/18/47/1069861847.db2.gz OBDITBBKAUUPLA-RBUKOAKNSA-N 0 3 472.659 3.560 20 0 JHADHN CCCN1CCCN(c2nnc(Cc3ccsc3)n2CCN(C)Cc2ccccc2)CC1=O ZINC001307069742 1069882957 /nfs/dbraw/zinc/88/29/57/1069882957.db2.gz SEAMBJPGZABNRY-UHFFFAOYSA-N 0 3 466.655 3.511 20 0 JHADHN CN1CCC[C@H]2[C@@H]1CCN2C(=O)NCCOc1ccc(Br)cc1C(F)(F)F ZINC001312425093 1069928335 /nfs/dbraw/zinc/92/83/35/1069928335.db2.gz GQAXLLIAHKZBBP-GJZGRUSLSA-N 0 3 450.299 3.725 20 0 JHADHN CN(C)CCN(Cc1ccc(Br)cc1)C(=O)N[C@@H]1COc2cc(F)cc(F)c21 ZINC001312485391 1069965246 /nfs/dbraw/zinc/96/52/46/1069965246.db2.gz KJTSSCHJCZDGPY-QGZVFWFLSA-N 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Cc1ccccc1CN1CCCN(C(=O)NCCc2ccc(OCC(F)(F)F)nc2)CC1 ZINC001312551421 1070008165 /nfs/dbraw/zinc/00/81/65/1070008165.db2.gz SFHZOBCAOIETFD-UHFFFAOYSA-N 0 3 450.505 3.791 20 0 JHADHN CCO[C@@H]1CCCN(c2nnc([C@H](C)Oc3ccccc3F)n2CCN2CCN(C)C(C)(C)C2)C1 ZINC001314267649 1070019395 /nfs/dbraw/zinc/01/93/95/1070019395.db2.gz IMKUFFVGJKBYGS-LEWJYISDSA-N 0 3 488.652 3.589 20 0 JHADHN CSc1ccc([C@H](CNC(=O)N[C@@H](Cn2ccccc2=O)c2ccccc2)N(C)C)cc1 ZINC001312585098 1070029416 /nfs/dbraw/zinc/02/94/16/1070029416.db2.gz DNIFSZNDXHCMSM-GOTSBHOMSA-N 0 3 450.608 3.914 20 0 JHADHN CCO[C@@H]1CCCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H](c2ccc(C)cc2)N(C)C)C1 ZINC001314274303 1070031032 /nfs/dbraw/zinc/03/10/32/1070031032.db2.gz HEDSFTGOODWVCA-DNQXCXABSA-N 0 3 465.646 3.756 20 0 JHADHN C[C@@H](CCc1ccc(I)cc1)NC(=O)N1CCN(C2CC2)C[C@H](C)C1 ZINC001312630683 1070053512 /nfs/dbraw/zinc/05/35/12/1070053512.db2.gz WVDYKECKFLIXEE-HOTGVXAUSA-N 0 3 455.384 3.738 20 0 JHADHN C[C@H](NC(=O)N(CCO)Cc1cc(Br)ccc1F)[C@@H](c1ccccc1)N(C)C ZINC001312661896 1070069555 /nfs/dbraw/zinc/06/95/55/1070069555.db2.gz UBTPMNZOJUBUKZ-YWZLYKJASA-N 0 3 452.368 3.784 20 0 JHADHN COc1ccccc1NC(=O)c1ccc(NC(=O)CCN[C@@]2(CO)CCc3ccccc32)cc1 ZINC001307593232 1070069938 /nfs/dbraw/zinc/06/99/38/1070069938.db2.gz XIJUBJILZFIOCN-HHHXNRCGSA-N 0 3 459.546 3.700 20 0 JHADHN CCOCc1ccccc1Cn1c([C@H](C)CC)nnc1N1C[C@H](N2CCCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001314294393 1070077640 /nfs/dbraw/zinc/07/76/40/1070077640.db2.gz BFHMIGAJXVGQLN-UFPGJGBJSA-N 0 3 496.700 3.755 20 0 JHADHN COc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)CN[C@@H](c1ccccc1)C1CC1 ZINC001307614277 1070082124 /nfs/dbraw/zinc/08/21/24/1070082124.db2.gz DIWQLCULNYUWOD-DEOSSOPVSA-N 0 3 457.596 3.549 20 0 JHADHN C[C@@H](CCN1CCN(C)CC1)NC(=O)N[C@@H](Cc1ccccc1)c1nc2ccccc2s1 ZINC001312702200 1070086307 /nfs/dbraw/zinc/08/63/07/1070086307.db2.gz UURODKZWTIXDPQ-UGKGYDQZSA-N 0 3 451.640 3.905 20 0 JHADHN CCN1CCN(c2ccc(F)cc2[C@H](C)NCC(=O)N(C)[C@H](C)c2ccccc2OC)CC1 ZINC001307642125 1070097854 /nfs/dbraw/zinc/09/78/54/1070097854.db2.gz KPKOSDLUJWBVJN-VQTJNVASSA-N 0 3 456.606 3.846 20 0 JHADHN O=C(NC/C=C\c1ccc(Br)cc1)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC001312753677 1070104477 /nfs/dbraw/zinc/10/44/77/1070104477.db2.gz AMDAJTKUTZASPU-JXIMZPAUSA-N 0 3 458.400 3.645 20 0 JHADHN CN(C)[C@@H](CNC(=O)CN1CCc2c(Br)ccc(Cl)c2C1)c1ccccc1 ZINC001307656970 1070106377 /nfs/dbraw/zinc/10/63/77/1070106377.db2.gz XUMYVKVVSAENTO-FQEVSTJZSA-N 0 3 450.808 3.880 20 0 JHADHN C[C@H](c1ccc(F)cc1)N1CCC[C@@H](NC(=O)N(CCN(C)C)Cc2ccccc2F)C1=O ZINC001312757658 1070106877 /nfs/dbraw/zinc/10/68/77/1070106877.db2.gz QKLFDLSZQWKUHS-WZONZLPQSA-N 0 3 458.553 3.790 20 0 JHADHN CNC(=O)[C@@H]1CCC[C@H]1NCC(=O)Nc1cc(-c2cc(C)c(C)cc2C)nn1-c1ccccc1 ZINC001307682139 1070122855 /nfs/dbraw/zinc/12/28/55/1070122855.db2.gz HBKINUXSEIJKCY-FYYLOGMGSA-N 0 3 459.594 3.907 20 0 JHADHN Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)CN[C@@H](CC(F)(F)F)C(C)C ZINC001307691557 1070129104 /nfs/dbraw/zinc/12/91/04/1070129104.db2.gz GQFQKLPJUQFETB-HNNXBMFYSA-N 0 3 452.315 3.721 20 0 JHADHN CC(C)(C)CCOc1cnccc1CNC(=O)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC001312814537 1070138248 /nfs/dbraw/zinc/13/82/48/1070138248.db2.gz SVRBPZZODVWAQW-DHIUTWEWSA-N 0 3 454.615 3.579 20 0 JHADHN NC(=O)C[C@H](NC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1cccc(F)c1)c1ccccc1 ZINC001312840572 1070149964 /nfs/dbraw/zinc/14/99/64/1070149964.db2.gz VGWUWQOJXGBKCD-CCDWMCETSA-N 0 3 460.553 3.710 20 0 JHADHN CN(C)CCN(CCc1ccccc1)C(=O)N[C@@H]1CC[C@H]2CN(C(=O)OC(C)(C)C)C[C@H]2C1 ZINC001312841319 1070150441 /nfs/dbraw/zinc/15/04/41/1070150441.db2.gz OJVYMUBBVMPUQY-YTFSRNRJSA-N 0 3 458.647 3.838 20 0 JHADHN CC1(C)[C@H](NCC(=O)Nc2ccccc2S(=O)(=O)C(F)F)C[C@@H]1OCc1ccccc1 ZINC001307777052 1070179675 /nfs/dbraw/zinc/17/96/75/1070179675.db2.gz DIXAKBYYEAYVOS-MOPGFXCFSA-N 0 3 452.523 3.595 20 0 JHADHN CC1(C)Cc2c(cccc2Br)[C@@H]1NCC(=O)NCCCN1CCCCCC1=O ZINC001307801086 1070188066 /nfs/dbraw/zinc/18/80/66/1070188066.db2.gz VIFNDQPUQMVAHR-NRFANRHFSA-N 0 3 450.421 3.571 20 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ZINC001314399636 1070260201 /nfs/dbraw/zinc/26/02/01/1070260201.db2.gz XSSQLNYFPFUTEL-UHFFFAOYSA-N 0 3 466.634 3.515 20 0 JHADHN COC(=O)[C@@H]1CN(C(=O)NC[C@@H]2CCCCN2Cc2ccccc2)C[C@H]1c1ccc(F)cc1F ZINC001313170841 1070279940 /nfs/dbraw/zinc/27/99/40/1070279940.db2.gz KEKSXRUSLVVZJR-ACIOBRDBSA-N 0 3 471.548 3.918 20 0 JHADHN CCOC[C@@H]1CCCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCN2CCC[C@@H]2C)C1 ZINC001314420768 1070292062 /nfs/dbraw/zinc/29/20/62/1070292062.db2.gz WOOBIBWYJDUGOK-PZJWPPBQSA-N 0 3 489.064 3.599 20 0 JHADHN CCOC[C@H]1CCCN(c2nnc(-c3cccnc3)n2C[C@@H](c2cccc(OC)c2)N(C)C)C1 ZINC001314421836 1070294858 /nfs/dbraw/zinc/29/48/58/1070294858.db2.gz QPVYQIXNPVWFNT-RDPSFJRHSA-N 0 3 464.614 3.905 20 0 JHADHN CSc1ccc(OC[C@@H](O)CN2CCC(Cc3nc(-c4ccc(F)cn4)no3)CC2)cc1 ZINC001308065533 1070299662 /nfs/dbraw/zinc/29/96/62/1070299662.db2.gz IVSVWIXDIXPFQJ-SFHVURJKSA-N 0 3 458.559 3.687 20 0 JHADHN CC(C)(C)OC(=O)N1CC[C@@]2(NCC(=O)NCc3ccc(F)cc3C(F)(F)F)CCC[C@@H]12 ZINC001308178634 1070337252 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CCCO[C@H]1CCCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2CCCN2CCCC2)CC1 ZINC001313522629 1070592424 /nfs/dbraw/zinc/59/24/24/1070592424.db2.gz WOJPVDDXIZUMBE-QFIPXVFZSA-N 0 3 489.686 3.620 20 0 JHADHN C[C@@H](c1ccccc1)N1CCC(NS(=O)(=O)C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001309192622 1070595705 /nfs/dbraw/zinc/59/57/05/1070595705.db2.gz FMHXSPRXLYKRCW-SFHVURJKSA-N 0 3 451.633 3.531 20 0 JHADHN Cc1ccc([C@@H]2CN(Cc3ccccc3)C[C@H]2S(=O)(=O)NC[C@H](C)CC2(C)OCCO2)cc1 ZINC001309214467 1070613788 /nfs/dbraw/zinc/61/37/88/1070613788.db2.gz IKDOLLOJXVXUGQ-IEZKXTBUSA-N 0 3 472.651 3.672 20 0 JHADHN Cc1nccn1CCCCNS(=O)(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccc(F)cc1 ZINC001309218081 1070616706 /nfs/dbraw/zinc/61/67/06/1070616706.db2.gz IEFZFYHKOPASHF-LOSJGSFVSA-N 0 3 470.614 3.698 20 0 JHADHN CCS[C@@H]1CC[C@@H](N(C)c2nnc(C(=O)N3CCCC3)n2CCN2CCCC(C)(C)C2)C1 ZINC001314590119 1070617787 /nfs/dbraw/zinc/61/77/87/1070617787.db2.gz WOAHCIIXUNCTSU-WOJBJXKFSA-N 0 3 462.708 3.747 20 0 JHADHN CCS[C@@H]1CC[C@@H](N(C)c2nnc(Cc3csc(C)n3)n2C[C@H](C)N2CCN(CC)CC2)C1 ZINC001314593796 1070629591 /nfs/dbraw/zinc/62/95/91/1070629591.db2.gz GZBMAJFDNCQKLI-VLCRHTCISA-N 0 3 491.775 3.770 20 0 JHADHN CCS[C@@H]1CCCCN(c2nnc(C(=O)Nc3ccccn3)n2CCN2CCC[C@@H]2C)C1 ZINC001314593764 1070629619 /nfs/dbraw/zinc/62/96/19/1070629619.db2.gz ZOZRLZBULLUXIN-RBUKOAKNSA-N 0 3 457.648 3.522 20 0 JHADHN CCS[C@H]1CCCCN(c2nnc(CC(C)C)n2C[C@@H](C)CN2CCN(CC)CC2)C1 ZINC001314603712 1070658526 /nfs/dbraw/zinc/65/85/26/1070658526.db2.gz MLYUBJLHYCSXGF-VXKWHMMOSA-N 0 3 450.741 3.862 20 0 JHADHN CCN(c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC(C)(C)CN(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC001313580852 1070700388 /nfs/dbraw/zinc/70/03/88/1070700388.db2.gz YJBZFZBDHSEDQU-PKOBYXMFSA-N 0 3 498.093 3.673 20 0 JHADHN CCN(c1nnc([C@H](C)Oc2cccc(Cl)c2)n1CC(C)(C)CN(C)C)[C@H]1CCS(=O)(=O)C1 ZINC001313580848 1070700461 /nfs/dbraw/zinc/70/04/61/1070700461.db2.gz YJBZFZBDHSEDQU-HKUYNNGSSA-N 0 3 498.093 3.673 20 0 JHADHN CCN(CC)[C@H](C)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N(CC)[C@H]1CCS(=O)(=O)C1 ZINC001313586973 1070711965 /nfs/dbraw/zinc/71/19/65/1070711965.db2.gz ZFMRLKAQLKZCOZ-KNQAVFIVSA-N 0 3 475.703 3.986 20 0 JHADHN CN(C)C(=O)C1(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCN(C(C)(C)C)CC2)CCCC1 ZINC001314625550 1070713504 /nfs/dbraw/zinc/71/35/04/1070713504.db2.gz HPBRKTRJNIGLOL-NHCUHLMSSA-N 0 3 488.721 3.766 20 0 JHADHN CCN(c1nnc(-c2ccc(Cl)cc2)n1C[C@@H]1CCCN(C(C)C)C1)[C@H]1CCS(=O)(=O)C1 ZINC001313587677 1070714299 /nfs/dbraw/zinc/71/42/99/1070714299.db2.gz LJGOUUFEPIKIII-NQIIRXRSSA-N 0 3 480.078 3.732 20 0 JHADHN CCN(c1nnc(-c2ccccc2Cl)n1CC[C@H](C)N1CCCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC001313592704 1070719931 /nfs/dbraw/zinc/71/99/31/1070719931.db2.gz UNGNOEYCQLWCGD-RBUKOAKNSA-N 0 3 480.078 3.876 20 0 JHADHN CCN(c1nnc(C2CCCC2)n1CC[C@H](C)N(C)Cc1ccccc1)[C@H]1CCS(=O)(=O)C1 ZINC001313599526 1070724000 /nfs/dbraw/zinc/72/40/00/1070724000.db2.gz LTKRMYJWFRIVFB-REWPJTCUSA-N 0 3 473.687 3.860 20 0 JHADHN CN(C)C(=O)[C@@H]1CCCN1CCCn1c(C2CCCC2)nnc1N1CCC[C@@H](OC(C)(C)C)C1 ZINC001314630341 1070730388 /nfs/dbraw/zinc/73/03/88/1070730388.db2.gz XQWWSYHSQIKDGZ-YADHBBJMSA-N 0 3 474.694 3.662 20 0 JHADHN CC(C)N1CCN(C2CCN(S(=O)(=O)c3c(Cl)cc(Cl)cc3Cl)CC2)CC1 ZINC001309364343 1070726272 /nfs/dbraw/zinc/72/62/72/1070726272.db2.gz DRSNQUCASYOXOK-UHFFFAOYSA-N 0 3 454.851 3.826 20 0 JHADHN CN(C)C(=O)[C@@H]1CCCN1CCCn1c(CC2CCCC2)nnc1N(C)CC1CCCCC1 ZINC001314629141 1070726766 /nfs/dbraw/zinc/72/67/66/1070726766.db2.gz NHZPFCOGKRKOKB-QHCPKHFHSA-N 0 3 458.695 3.970 20 0 JHADHN CN(C)C(=O)[C@@H]1CCCN1CCCn1c(Cc2c(F)cccc2F)nnc1N1CCCCCCC1 ZINC001314629649 1070728181 /nfs/dbraw/zinc/72/81/81/1070728181.db2.gz RABXHDIYJQESGX-QHCPKHFHSA-N 0 3 488.627 3.860 20 0 JHADHN COC(=O)[C@H]1CCCCCN1S(=O)(=O)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccc(F)cc1 ZINC001309389173 1070740154 /nfs/dbraw/zinc/74/01/54/1070740154.db2.gz AKDXRNLNQSWNRZ-RBZQAINGSA-N 0 3 474.598 3.541 20 0 JHADHN Cc1ccc([C@@H]2CN(Cc3ccccc3)C[C@H]2S(=O)(=O)NCCCC(=O)OC(C)C)cc1 ZINC001309382928 1070736560 /nfs/dbraw/zinc/73/65/60/1070736560.db2.gz KTDYWZYXQMYNLK-BJKOFHAPSA-N 0 3 458.624 3.614 20 0 JHADHN CN(C)[C@H](Cn1c(-c2ccc[nH]2)nnc1N1CC[C@@H](NC(=O)OC(C)(C)C)C1)c1ccc(F)cc1 ZINC001314647692 1070750580 /nfs/dbraw/zinc/75/05/80/1070750580.db2.gz BVLXNYGYRUYQFN-TZIWHRDSSA-N 0 3 483.592 3.819 20 0 JHADHN CN(C)[C@H](Cn1c(-c2ccccn2)nnc1N1CCC[C@H](NC(=O)C(C)(C)C)C1)c1cccc(F)c1 ZINC001314648725 1070753116 /nfs/dbraw/zinc/75/31/16/1070753116.db2.gz ODSVITPSGNYRGS-JTHBVZDNSA-N 0 3 493.631 3.913 20 0 JHADHN CN(C)[C@H](Cn1c(-c2cccn2C)nnc1N1CCC(O)(C(F)(F)F)CC1)c1cccs1 ZINC001314648749 1070753153 /nfs/dbraw/zinc/75/31/53/1070753153.db2.gz OUWHZDIAAGMVFP-MRXNPFEDSA-N 0 3 468.549 3.542 20 0 JHADHN CN(C)[C@H](Cn1c(Nc2cnn(C)c2)nnc1[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1)c1ccc(F)cc1 ZINC001314654476 1070768860 /nfs/dbraw/zinc/76/88/60/1070768860.db2.gz SFLOYUUOOHBSJA-SLYNCCJLSA-N 0 3 498.607 3.968 20 0 JHADHN CN(C)[C@H](Cn1c(Cc2ccncc2)nnc1N1CCN(C(=O)OC(C)(C)C)CC1)c1cccs1 ZINC001314655782 1070773363 /nfs/dbraw/zinc/77/33/63/1070773363.db2.gz NEPQUHWWUVIGNQ-HXUWFJFHSA-N 0 3 497.669 3.685 20 0 JHADHN CCN(C[C@H](O)c1ccc(C)cc1)c1nnc(-c2cnccn2)n1C[C@@H](c1ccsc1)N(C)C ZINC001313641715 1070787922 /nfs/dbraw/zinc/78/79/22/1070787922.db2.gz YXFSUHZVYFDFRW-GOTSBHOMSA-N 0 3 477.638 3.968 20 0 JHADHN CN(c1nnc(C(C)(C)C)n1CCc1cccc(F)c1)C1CCN(CCn2cccn2)CC1 ZINC001314676384 1070821755 /nfs/dbraw/zinc/82/17/55/1070821755.db2.gz FORJNRHPXUIXBZ-UHFFFAOYSA-N 0 3 453.610 3.755 20 0 JHADHN CN(c1nnc(C(C)(C)C)n1CCc1cccc(F)c1F)C1CCN(CCn2cccn2)CC1 ZINC001314677137 1070823669 /nfs/dbraw/zinc/82/36/69/1070823669.db2.gz QPOYKMLVDGQVFW-UHFFFAOYSA-N 0 3 471.600 3.894 20 0 JHADHN CN(c1nnc([C@H]2CCCCO2)n1CCN1CCCCC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC001314690962 1070850414 /nfs/dbraw/zinc/85/04/14/1070850414.db2.gz ANKCBRZSENXXGO-OAQYLSRUSA-N 0 3 476.666 3.841 20 0 JHADHN CCN(CC)[C@@H](C)Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 ZINC001313657103 1070853709 /nfs/dbraw/zinc/85/37/09/1070853709.db2.gz JFBPTZTZUZITTN-GHTZIAJQSA-N 0 3 461.676 3.596 20 0 JHADHN CCN(CC)[C@@H](Cn1c(C(C)C)nnc1N1CCN(C(=O)c2ccc(O)cc2)CC1)c1ccco1 ZINC001313666884 1070886914 /nfs/dbraw/zinc/88/69/14/1070886914.db2.gz YJDXQMXZBXGQNH-QFIPXVFZSA-N 0 3 480.613 3.746 20 0 JHADHN CN(C)[C@@H](Cn1c([C@H]2CCOC2)nnc1N(C)CC(=O)Nc1cccc(Cl)c1)c1cccs1 ZINC001314710060 1070887101 /nfs/dbraw/zinc/88/71/01/1070887101.db2.gz PCNNAKOMVRFDRL-LPHOPBHVSA-N 0 3 489.045 3.875 20 0 JHADHN CCN(CC)[C@H](C)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 ZINC001313667097 1070888301 /nfs/dbraw/zinc/88/83/01/1070888301.db2.gz IRNFYQXFCDOZOR-APWZRJJASA-N 0 3 486.107 3.577 20 0 JHADHN CCN(CC)[C@@H](Cn1c(-c2cccnc2)nnc1N(C)CC1COC(C)(C)OC1)c1ccco1 ZINC001313672197 1070902204 /nfs/dbraw/zinc/90/22/04/1070902204.db2.gz FGCISYRFOGGCAZ-NRFANRHFSA-N 0 3 468.602 3.852 20 0 JHADHN CCN(CC)[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(F)(F)CC1)c1ccsc1 ZINC001313672393 1070903398 /nfs/dbraw/zinc/90/33/98/1070903398.db2.gz NFQCZGCUIMMITO-SJORKVTESA-N 0 3 452.575 3.609 20 0 JHADHN CCN(CC)[C@H](Cn1c([C@H]2CCCO2)nnc1N1C[C@H](COC)O[C@@H](C)C1)c1ccsc1 ZINC001313672671 1070904717 /nfs/dbraw/zinc/90/47/17/1070904717.db2.gz AFJPFXVJUXJDIC-OYNPSCLESA-N 0 3 463.648 3.514 20 0 JHADHN CCN(CC)[C@H](Cn1c(-c2cc(Br)cn2C)nnc1N(C)OC)c1ccco1 ZINC001313673165 1070906390 /nfs/dbraw/zinc/90/63/90/1070906390.db2.gz JSSDUIYQNIMLIE-MRXNPFEDSA-N 0 3 451.369 3.720 20 0 JHADHN CCN(CC)[C@H](Cn1c(C)nnc1N1CCN(CC(F)(F)C(F)F)CC1)c1ccsc1 ZINC001313673803 1070908644 /nfs/dbraw/zinc/90/86/44/1070908644.db2.gz LMFFIUUHKCLNGG-QGZVFWFLSA-N 0 3 462.561 3.754 20 0 JHADHN CCN(CC)[C@@H](Cn1c(-c2cccc(Cl)c2)nnc1N1CCC[C@@H](C(N)=O)C1)c1ccco1 ZINC001313673687 1070908696 /nfs/dbraw/zinc/90/86/96/1070908696.db2.gz KUYWTBAQSOGFNC-QUCCMNQESA-N 0 3 471.005 3.976 20 0 JHADHN CCN(CC)[C@@H](Cn1c(-c2cc(Br)c[nH]2)nnc1N1CCCOCC1)c1ccco1 ZINC001313674527 1070912774 /nfs/dbraw/zinc/91/27/74/1070912774.db2.gz OKBBGCWRZNWVRU-SFHVURJKSA-N 0 3 477.407 3.939 20 0 JHADHN CCN(CC)[C@@H](Cn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(F)F)CC1)c1ccsc1 ZINC001313677132 1070924628 /nfs/dbraw/zinc/92/46/28/1070924628.db2.gz ICBZJTKIPFDGBJ-QUCCMNQESA-N 0 3 482.645 3.704 20 0 JHADHN CCN(CC)[C@H](Cn1c(Cc2ccccc2C)nnc1N1CCC[C@@H](C(=O)NC)C1)c1ccco1 ZINC001313681752 1070941171 /nfs/dbraw/zinc/94/11/71/1070941171.db2.gz ZAIYWVIYVGACGB-DHIUTWEWSA-N 0 3 478.641 3.816 20 0 JHADHN CN(Cc1ccc(F)cc1F)c1nnc(C(=O)N2CCCC2)n1C[C@H]1N(C)CCCC1(C)C ZINC001314734776 1070958018 /nfs/dbraw/zinc/95/80/18/1070958018.db2.gz JNJFDJJBHWLSQU-HXUWFJFHSA-N 0 3 460.573 3.549 20 0 JHADHN CCN(CC)CC(=O)N1CCN(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H]2CCC[C@H]2C)CC1 ZINC001313698558 1070970900 /nfs/dbraw/zinc/97/09/00/1070970900.db2.gz HOPLCJRGLLWPIM-IRLDBZIGSA-N 0 3 487.092 3.949 20 0 JHADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@@H]2CC=CCO2)CC1 ZINC001313698851 1070970956 /nfs/dbraw/zinc/97/09/56/1070970956.db2.gz CVMSAQHJMMAWBU-DEOSSOPVSA-N 0 3 494.684 3.578 20 0 JHADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccccc3Cl)n2C[C@@H]2CC2(C)C)CC1 ZINC001313699181 1070973336 /nfs/dbraw/zinc/97/33/36/1070973336.db2.gz IWXSPIXGLJCMND-SFHVURJKSA-N 0 3 459.038 3.635 20 0 JHADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccccc3C)n2C[C@H]2CCC[C@H]2C)CC1 ZINC001313699526 1070973950 /nfs/dbraw/zinc/97/39/50/1070973950.db2.gz LQUHJERSMRCXPV-IFMALSPDSA-N 0 3 452.647 3.680 20 0 JHADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccccc3C)n2C[C@H]2CCCO[C@@H]2C(C)C)CC1 ZINC001313700374 1070977471 /nfs/dbraw/zinc/97/74/71/1070977471.db2.gz WNMWHWWBKOFPED-ZEQKJWHPSA-N 0 3 496.700 3.695 20 0 JHADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3cccc(C)n3)n2C2CC(C(C)(C)C)C2)CC1 ZINC001313702673 1070985487 /nfs/dbraw/zinc/98/54/87/1070985487.db2.gz DKXLLUPFQLXCMB-UHFFFAOYSA-N 0 3 467.662 3.636 20 0 JHADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@@H]3CCCCO3)n2Cc2cccc(Cl)c2C)CC1 ZINC001313703938 1070988616 /nfs/dbraw/zinc/98/86/16/1070988616.db2.gz JWWIRALURXFTRL-QFIPXVFZSA-N 0 3 489.064 3.520 20 0 JHADHN CCN(CC)CC(=O)N1CCN(c2nnc(C3CCC3)n2C[C@H]2C[C@@H](OC(C)(C)C)C2(C)C)CC1 ZINC001313703898 1070988674 /nfs/dbraw/zinc/98/86/74/1070988674.db2.gz JKAGRYRFMWSWSB-FGZHOGPDSA-N 0 3 488.721 3.766 20 0 JHADHN COC(=O)c1cccc(S(=O)(=O)N[C@]2(C)CN(Cc3ccccc3)C[C@H]2c2ccccc2)c1 ZINC001309908416 1071013064 /nfs/dbraw/zinc/01/30/64/1071013064.db2.gz IBLJHTGMUNXSMT-AZGAKELHSA-N 0 3 464.587 3.810 20 0 JHADHN CC(C)[C@H]1C[C@@H](N2CCCC2)CN1S(=O)(=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC001309944152 1071024620 /nfs/dbraw/zinc/02/46/20/1071024620.db2.gz WYULWLYQGLSDGC-FYYLOGMGSA-N 0 3 459.587 3.961 20 0 JHADHN C[C@@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)Nc1ccc(C(=O)N(C)C2CCOCC2)cc1 ZINC001309975272 1071034631 /nfs/dbraw/zinc/03/46/31/1071034631.db2.gz KEKAKYWICUTNSU-DVECYGJZSA-N 0 3 450.583 3.580 20 0 JHADHN C[C@H]1CN(Cc2ccccc2)C[C@@H]1NC(=O)Nc1cccc(S(=O)(=O)N2CCCCC2)c1 ZINC001309980359 1071037367 /nfs/dbraw/zinc/03/73/67/1071037367.db2.gz JIOAVUJYGOEIJN-CVDCTZTESA-N 0 3 456.612 3.503 20 0 JHADHN CN(Cc1ncnn1CC(F)F)c1nnc(C(C)(C)C)n1CCCN1CCc2ccccc2C1 ZINC001314777033 1071049504 /nfs/dbraw/zinc/04/95/04/1071049504.db2.gz IOBWIUSECXKOBV-UHFFFAOYSA-N 0 3 472.588 3.517 20 0 JHADHN CCN(Cc1ccc2c(c1)OCO2)c1nnc(CC(C)(C)C)n1CCN1CCN(C)C(C)(C)C1 ZINC001313738688 1071063197 /nfs/dbraw/zinc/06/31/97/1071063197.db2.gz MNTNHDMWPHPIKA-UHFFFAOYSA-N 0 3 470.662 3.648 20 0 JHADHN CCN(Cc1cccs1)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H](c1cccc(OC)c1)N(C)C ZINC001313749404 1071080096 /nfs/dbraw/zinc/08/00/96/1071080096.db2.gz GUVBHDWOAMUDBS-RTWAWAEBSA-N 0 3 468.627 3.629 20 0 JHADHN CCN(Cc1cccs1)c1nnc([C@H]2CCC(=O)N2)n1CCN(C)Cc1ccc(F)cc1 ZINC001313750180 1071080841 /nfs/dbraw/zinc/08/08/41/1071080841.db2.gz ZWEJOVIGFZUJLI-HXUWFJFHSA-N 0 3 456.591 3.588 20 0 JHADHN CN(CCC(F)(F)F)c1nnc(-c2ccc[nH]2)n1CCCN1CCN(c2ccccc2)CC1 ZINC001314819657 1071133888 /nfs/dbraw/zinc/13/38/88/1071133888.db2.gz FTTDPKLNDHJDPY-UHFFFAOYSA-N 0 3 461.536 3.874 20 0 JHADHN CCN(CCC1CC1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC(C)(C)N1C[C@H](C)C[C@@H](C)C1 ZINC001313795687 1071194625 /nfs/dbraw/zinc/19/46/25/1071194625.db2.gz GRLBUMOCAGZPKN-SFHLNBCPSA-N 0 3 465.708 3.563 20 0 JHADHN CCN(CCn1c(-c2cccn2C)nnc1N1C[C@@H](C)O[C@H](C2CC2)C1)CCC(F)(F)F ZINC001313810112 1071239659 /nfs/dbraw/zinc/23/96/59/1071239659.db2.gz KMFZSIPXPUETRQ-APWZRJJASA-N 0 3 454.541 3.562 20 0 JHADHN CCN(CCn1c(-c2ccc(OC)cc2OC)nnc1N1CCSCC1)CCC(F)(F)F ZINC001313812494 1071250660 /nfs/dbraw/zinc/25/06/60/1071250660.db2.gz ZGLYUJIVOUQBOJ-UHFFFAOYSA-N 0 3 473.565 3.790 20 0 JHADHN CN(CCn1c(CC2CCCC2)nnc1N1CCN(C(=O)C(C)(C)C)CC1)Cc1ccc(F)cc1 ZINC001314864415 1071263213 /nfs/dbraw/zinc/26/32/13/1071263213.db2.gz BZPDFXHQVRNCNL-UHFFFAOYSA-N 0 3 484.664 3.977 20 0 JHADHN CN(CCn1c([C@@H]2CCCCO2)nnc1N1CCC(O)(C(F)(F)F)CC1)Cc1ccc(F)cc1 ZINC001314866118 1071269568 /nfs/dbraw/zinc/26/95/68/1071269568.db2.gz RJWKHVLLQWHLRX-IBGZPJMESA-N 0 3 485.526 3.684 20 0 JHADHN CCn1cc([C@@H]2CN(c3nnc(C(C)(C)C)n3C[C@@H](c3cccs3)N(C)C)CCO2)cn1 ZINC001313833074 1071307467 /nfs/dbraw/zinc/30/74/67/1071307467.db2.gz QAPVGALWWZAEGC-OALUTQOASA-N 0 3 457.648 3.734 20 0 JHADHN CN1CCC(N(Cc2ccccc2)C(=O)Nc2ccc(S(=O)(=O)NCC3CC3)cc2)CC1 ZINC001310323301 1071306745 /nfs/dbraw/zinc/30/67/45/1071306745.db2.gz YZBMNTFTCIOXNE-UHFFFAOYSA-N 0 3 456.612 3.503 20 0 JHADHN CCn1cc(CN(C)c2nnc([C@@H]3CCCCO3)n2C[C@H](c2cccc(OC)c2)N(C)C)cn1 ZINC001313838171 1071321318 /nfs/dbraw/zinc/32/13/18/1071321318.db2.gz MDAKPAZUWXEGHN-PKTZIBPZSA-N 0 3 467.618 3.684 20 0 JHADHN CCn1cc(Cn2c(-c3ccc(Br)s3)nnc2N2CCN(C(C)(C)C)CC2)cn1 ZINC001313842271 1071328290 /nfs/dbraw/zinc/32/82/90/1071328290.db2.gz BDPORFUHGGXOGB-UHFFFAOYSA-N 0 3 478.464 3.954 20 0 JHADHN Cc1ccc(NC(=O)NC[C@]2(O)CCN(Cc3ccccc3)C2)cc1OCC1CCOCC1 ZINC001310347884 1071328921 /nfs/dbraw/zinc/32/89/21/1071328921.db2.gz YKTRCKIVRSDIDB-AREMUKBSSA-N 0 3 453.583 3.559 20 0 JHADHN O=C(NCc1ccccc1CN1CCC(O)CC1)Nc1ccc([S@](=O)C(F)(F)F)cc1 ZINC001310369238 1071345624 /nfs/dbraw/zinc/34/56/24/1071345624.db2.gz CGDGRWLGWPGADV-HKBQPEDESA-N 0 3 455.502 3.592 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3ccc(C)c(Br)c3)n2CCCOCCOC)C[C@H]1C ZINC001313859618 1071365433 /nfs/dbraw/zinc/36/54/33/1071365433.db2.gz HHPWMCWFEPBFAT-MOPGFXCFSA-N 0 3 494.478 3.988 20 0 JHADHN CCN1C[C@H](C)N(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CC(=O)NCC2CC2)C[C@H]1C ZINC001313860035 1071366763 /nfs/dbraw/zinc/36/67/63/1071366763.db2.gz IONRTSGHYGLDBL-FGTMMUONSA-N 0 3 475.037 3.517 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(-c3cccc(OC(F)F)c3)n2CCCNC(=O)C(C)C)C[C@H]1C ZINC001313860485 1071369621 /nfs/dbraw/zinc/36/96/21/1071369621.db2.gz LGMVDOFOFJNRKO-QZTJIDSGSA-N 0 3 478.588 3.628 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(-c3cc(C)nc4ccccc43)n2CCNC(=O)C(C)(C)C)C[C@@H]1C ZINC001313861552 1071373945 /nfs/dbraw/zinc/37/39/45/1071373945.db2.gz NQZLWFIZNWSCIJ-VQTJNVASSA-N 0 3 477.657 3.883 20 0 JHADHN CCN1C[C@H](C)N(c2nnc([C@@H](C)OCCOC)n2Cc2cccc(Cl)c2C)C[C@@H]1C ZINC001313861539 1071374342 /nfs/dbraw/zinc/37/43/42/1071374342.db2.gz NNQQPZPCCUKTMH-JENIJYKNSA-N 0 3 450.027 3.931 20 0 JHADHN Cc1cccc(N2CCN(CCCCNC(=O)Nc3ccc4oc(N(C)C)nc4c3)CC2)c1 ZINC001310411234 1071375169 /nfs/dbraw/zinc/37/51/69/1071375169.db2.gz ZJHKGMSXKBKUPN-UHFFFAOYSA-N 0 3 450.587 3.926 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCCCSC)C[C@H]1C ZINC001313861883 1071375270 /nfs/dbraw/zinc/37/52/70/1071375270.db2.gz RLSQBJNPJGYGJO-MSOLQXFVSA-N 0 3 479.094 3.924 20 0 JHADHN CN1CCN(CCn2c(Cc3c(F)cccc3F)nnc2N2CCC[C@H](C(F)F)C2)CC1(C)C ZINC001314932057 1071377762 /nfs/dbraw/zinc/37/77/62/1071377762.db2.gz YADHIQMGSWNWON-KRWDZBQOSA-N 0 3 482.570 3.655 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCCn2ccnc2C)C[C@@H]1C ZINC001313863676 1071382165 /nfs/dbraw/zinc/38/21/65/1071382165.db2.gz WJWFYYOWEQSYGP-SFTDATJTSA-N 0 3 478.645 3.661 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3cc(Br)cn3C)n2Cc2ncccc2C)C[C@H]1C ZINC001313863817 1071383290 /nfs/dbraw/zinc/38/32/90/1071383290.db2.gz TVOAFKRHCOCRJY-SJORKVTESA-N 0 3 472.435 3.717 20 0 JHADHN CN1CCN(CCn2c(CC(C)(C)C)nnc2N2CCC(CO)(Cc3ccccc3)CC2)CC1(C)C ZINC001314932064 1071378453 /nfs/dbraw/zinc/37/84/53/1071378453.db2.gz YNRNENYKAJUYIY-UHFFFAOYSA-N 0 3 496.744 3.714 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3cc(OC)cc(OC)c3)n2CCCn2nc(C)cc2C)C[C@H]1C ZINC001313863182 1071380361 /nfs/dbraw/zinc/38/03/61/1071380361.db2.gz VAKSANJHKUPTIL-RTWAWAEBSA-N 0 3 481.645 3.785 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(-c3cc(Br)c[nH]3)n2CCc2ccccn2)C[C@H]1C ZINC001313863884 1071384052 /nfs/dbraw/zinc/38/40/52/1071384052.db2.gz UONPSQFOAFAGPQ-HZPDHXFCSA-N 0 3 458.408 3.592 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3ccc(Cl)nc3)n2CC[C@H](OC)C(F)(F)F)C[C@H]1C ZINC001313863964 1071384068 /nfs/dbraw/zinc/38/40/68/1071384068.db2.gz FFZDFMWUFMXKBL-YCPHGPKFSA-N 0 3 460.932 3.880 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(-c3ccc4c(c3)OCO4)n2C[C@@H](C)NC(=O)OC(C)(C)C)C[C@H]1C ZINC001313864715 1071388547 /nfs/dbraw/zinc/38/85/47/1071388547.db2.gz GTMVVDPPIXDNBI-KZNAEPCWSA-N 0 3 486.617 3.506 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3nn(CC)c(=O)c4ccccc43)n2CCC(C)C)C[C@@H]1C ZINC001313864628 1071387577 /nfs/dbraw/zinc/38/75/77/1071387577.db2.gz MKBHHTQZJOSPOJ-OALUTQOASA-N 0 3 451.619 3.640 20 0 JHADHN CCN1C[C@H](C)N(c2nnc([C@@]3(OC(C)C)CCOC3)n2CCc2nc(C)c(C)s2)C[C@H]1C ZINC001313865831 1071394288 /nfs/dbraw/zinc/39/42/88/1071394288.db2.gz YHOCHHGORWTULS-NXMSCROESA-N 0 3 476.691 3.554 20 0 JHADHN CCN1C[C@H](C)N(c2nnc([C@@H]3COc4ccccc4O3)n2CC(F)(F)Br)C[C@@H]1C ZINC001313865506 1071392882 /nfs/dbraw/zinc/39/28/82/1071392882.db2.gz DWDCDUAARJWEGW-ZQIUZPCESA-N 0 3 486.361 3.697 20 0 JHADHN CCN1C[C@H](C)N(c2nnc([C@@H](C)Oc3ccccc3F)n2CC2CCN(C(C)=O)CC2)C[C@H]1C ZINC001313865744 1071393143 /nfs/dbraw/zinc/39/31/43/1071393143.db2.gz XICKWROYDRJMBC-HSALFYBXSA-N 0 3 486.636 3.735 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3cccc(C)n3)n2CCCCNC(=O)OC(C)(C)C)C[C@H]1C ZINC001313864805 1071389447 /nfs/dbraw/zinc/38/94/47/1071389447.db2.gz NFULPGVEDTUJSV-UXHICEINSA-N 0 3 471.650 3.872 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(CCCc3ccccc3)n2CCn2cc(Cl)cn2)C[C@H]1C ZINC001313866250 1071394923 /nfs/dbraw/zinc/39/49/23/1071394923.db2.gz FQLWBZJHFFNPNS-WOJBJXKFSA-N 0 3 456.038 3.922 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@]2(O)CCO[C@@H]2C)C[C@H]1C ZINC001313865963 1071395027 /nfs/dbraw/zinc/39/50/27/1071395027.db2.gz JDOCDJPYFINBQP-JEZSTIGHSA-N 0 3 468.429 3.711 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(-c3ccc(OC)cc3OC)n2CCC(=O)N2CCCCCC2)C[C@@H]1C ZINC001313866595 1071396621 /nfs/dbraw/zinc/39/66/21/1071396621.db2.gz KEMCXEFEPAURHS-LEWJYISDSA-N 0 3 498.672 3.674 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3ccc(OC)cc3OC)n2CCCOC(F)(F)F)C[C@@H]1C ZINC001313867156 1071399151 /nfs/dbraw/zinc/39/91/51/1071399151.db2.gz MCMTVCJIXNQABT-HOTGVXAUSA-N 0 3 471.524 3.808 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3ccc(OC(C)C)c(OC)c3)n2C[C@@H]2CCOC2)C[C@@H]1C ZINC001313867630 1071400920 /nfs/dbraw/zinc/40/09/20/1071400920.db2.gz MSCCYATYUCSXDD-UFYCRDLUSA-N 0 3 457.619 3.696 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3cccnc3)n2CCCCNC(=O)OC(C)(C)C)C[C@@H]1C ZINC001313868560 1071405582 /nfs/dbraw/zinc/40/55/82/1071405582.db2.gz BVIIBRAUSJRIKJ-OALUTQOASA-N 0 3 457.623 3.564 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3ccc[nH]3)n2CCCCn2cc(Br)cn2)C[C@H]1C ZINC001313867750 1071401682 /nfs/dbraw/zinc/40/16/82/1071401682.db2.gz AOTCCQMXNBYDTK-SJORKVTESA-N 0 3 475.439 3.632 20 0 JHADHN CNC(=O)[C@H](C)CN(C)c1nnc(-c2ccc(Cl)cc2OC)n1C[C@@H](c1cccs1)N(C)C ZINC001314946601 1071405710 /nfs/dbraw/zinc/40/57/10/1071405710.db2.gz UIELTTKVTPGZPE-QAPCUYQASA-N 0 3 491.061 3.790 20 0 JHADHN CNC(=O)[C@H](C)CN(C)c1nnc(-c2cc(C)nc3ccccc32)n1C[C@H](c1ccsc1)N(C)C ZINC001314948362 1071410996 /nfs/dbraw/zinc/41/09/96/1071410996.db2.gz NGDSZDXIEUOVRX-UZUQRXQVSA-N 0 3 491.665 3.984 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2C[C@@H]2C[C@@H]2C)C[C@H]1C ZINC001313868685 1071406336 /nfs/dbraw/zinc/40/63/36/1071406336.db2.gz NAIXIAAWWBYISG-JTJHWIPRSA-N 0 3 460.667 3.968 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(Cc3c[nH]c4ccccc34)n2CCNC(=O)OC(C)(C)C)C[C@H]1C ZINC001313871419 1071416892 /nfs/dbraw/zinc/41/68/92/1071416892.db2.gz YZBRHFQWECMXKS-RTBURBONSA-N 0 3 481.645 3.794 20 0 JHADHN CCN(C(=O)OC(C)(C)C)[C@H](C)Cn1c(-c2cccnc2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C ZINC001313870116 1071412631 /nfs/dbraw/zinc/41/26/31/1071412631.db2.gz FQOAJASBDZBDMJ-VAMGGRTRSA-N 0 3 471.650 3.905 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(Cc3ccc(Cl)cc3)n2CCSCCCO)C[C@H]1C ZINC001313871673 1071417376 /nfs/dbraw/zinc/41/73/76/1071417376.db2.gz GYDXCBMWUFPLDT-MSOLQXFVSA-N 0 3 452.068 3.557 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3cccn3C)n2Cc2cccc(C(OC)OC)c2)C[C@@H]1C ZINC001313872603 1071419876 /nfs/dbraw/zinc/41/98/76/1071419876.db2.gz JKZIPXOWNXKTDY-OALUTQOASA-N 0 3 452.603 3.542 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(Cc3cccnc3)n2Cc2cc(OC)ccc2OC(F)F)C[C@H]1C ZINC001313872242 1071420101 /nfs/dbraw/zinc/42/01/01/1071420101.db2.gz IXZZMCTWFZSNBQ-MSOLQXFVSA-N 0 3 486.567 3.841 20 0 JHADHN CN(C)[C@H](CNC(=O)Nc1cnc2c(c1)C[C@@H](NC(=O)OC(C)(C)C)CC2)c1ccccc1 ZINC001310482169 1071424577 /nfs/dbraw/zinc/42/45/77/1071424577.db2.gz MINOKSCGMYYOOJ-SIKLNZKXSA-N 0 3 453.587 3.888 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(Cc3cccnc3)n2Cc2ccc(OC(F)F)cc2)C[C@H]1C ZINC001313873241 1071424692 /nfs/dbraw/zinc/42/46/92/1071424692.db2.gz KJQIYGAOJNCWBS-QZTJIDSGSA-N 0 3 456.541 3.833 20 0 JHADHN CN1CCN(CCCNC(=O)Nc2ccc(F)cc2OCC(F)F)[C@H](c2ccccc2)C1 ZINC001310486215 1071426091 /nfs/dbraw/zinc/42/60/91/1071426091.db2.gz OHSOWEMUNLIUGV-FQEVSTJZSA-N 0 3 450.505 3.970 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(Cc3ccncc3)n2Cc2ccnc(C(F)(F)F)c2)C[C@@H]1C ZINC001313873759 1071426441 /nfs/dbraw/zinc/42/64/41/1071426441.db2.gz MCXKUQPTBRWOKW-IRXDYDNUSA-N 0 3 459.520 3.645 20 0 JHADHN CNC(=O)[C@@H](C)CN(C)c1nnc(Cc2ccc(Cl)cc2)n1C[C@@H](c1ccco1)N1CCCC1 ZINC001314959077 1071431976 /nfs/dbraw/zinc/43/19/76/1071431976.db2.gz UNMAKGSPCIIIAP-RXVVDRJESA-N 0 3 485.032 3.771 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(Cc3ccccc3OC)n2CCc2csc(C)n2)C[C@H]1C ZINC001313875256 1071432721 /nfs/dbraw/zinc/43/27/21/1071432721.db2.gz PTOPMDVXUMGJHH-QZTJIDSGSA-N 0 3 454.644 3.804 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(-c3ccccn3)n2Cc2cc(COC(C)(C)C)on2)C[C@H]1C ZINC001313876673 1071439181 /nfs/dbraw/zinc/43/91/81/1071439181.db2.gz VKOYANVHZYLSJZ-QZTJIDSGSA-N 0 3 453.591 3.610 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(Cc3ccncc3)n2C[C@H](C)Oc2ccc(F)cc2)C[C@@H]1C ZINC001313876872 1071439298 /nfs/dbraw/zinc/43/92/98/1071439298.db2.gz SNYWXXIKQQRFHA-UFYCRDLUSA-N 0 3 452.578 3.789 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3ccccn3)n2CCc2ccc(OC)cc2OC)C[C@@H]1C ZINC001313878833 1071446032 /nfs/dbraw/zinc/44/60/32/1071446032.db2.gz ZAFVVLMYBMGSGO-OALUTQOASA-N 0 3 450.587 3.519 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(CNC(=O)c3cccs3)n2Cc2sccc2C)C[C@@H]1C ZINC001313879104 1071446959 /nfs/dbraw/zinc/44/69/59/1071446959.db2.gz XTNJAQMOZHJGFD-DLBZAZTESA-N 0 3 458.657 3.607 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(Cc3cccnc3)n2Cc2nc(C(F)(F)F)cs2)C[C@@H]1C ZINC001313879027 1071447036 /nfs/dbraw/zinc/44/70/36/1071447036.db2.gz XYUSSVVRFOSSGY-GJZGRUSLSA-N 0 3 465.549 3.706 20 0 JHADHN CCN1C[C@H](C)N(c2nnc([C@H]3CCCO3)n2CCOc2cccc(C(F)(F)F)n2)C[C@H]1C ZINC001313882750 1071459843 /nfs/dbraw/zinc/45/98/43/1071459843.db2.gz GYZUMZLFHGGTOJ-IXDOHACOSA-N 0 3 468.524 3.541 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2Cc2occc2C)C[C@@H]1C ZINC001313884529 1071464306 /nfs/dbraw/zinc/46/43/06/1071464306.db2.gz MHEPIUSPHPLXRI-ZGXWSNOMSA-N 0 3 472.634 3.917 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(COc3ccccc3OC)n2CC(=O)N(C)C2CCCCC2)C[C@@H]1C ZINC001313886315 1071470020 /nfs/dbraw/zinc/47/00/20/1071470020.db2.gz RNOOWJIJUJNDCE-LEWJYISDSA-N 0 3 498.672 3.576 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(CSc3ccccc3OC)n2Cc2ncnn2C(C)(C)C)C[C@@H]1C ZINC001313886343 1071470741 /nfs/dbraw/zinc/47/07/41/1071470741.db2.gz SBKJBKLZCAURPO-RBUKOAKNSA-N 0 3 498.701 3.893 20 0 JHADHN CCN1C[C@H](C)N(c2nnc([C@H]3OCC[C@H]3COC)n2Cc2ccccc2C(F)(F)F)C[C@H]1C ZINC001313887113 1071472465 /nfs/dbraw/zinc/47/24/65/1071472465.db2.gz SYGRSQLKZDDTQL-IGGJEDBVSA-N 0 3 481.563 3.988 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(CSc3ccc(C)cc3)n2C[C@]2(O)CCSC2)C[C@@H]1C ZINC001313888684 1071478239 /nfs/dbraw/zinc/47/82/39/1071478239.db2.gz XHRGLYPGZKVZPO-SFYKDHMMSA-N 0 3 461.701 3.666 20 0 JHADHN CCN1CCCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCc2cccc(Br)c2C1 ZINC001313904406 1071517588 /nfs/dbraw/zinc/51/75/88/1071517588.db2.gz HBGNMICGIRKHIZ-SFHVURJKSA-N 0 3 489.462 3.616 20 0 JHADHN CNC(=O)CC1CCN(c2nnc(CC(C)C)n2CC(C)(C)N2CCc3ccccc3C2)CC1 ZINC001315024191 1071546778 /nfs/dbraw/zinc/54/67/78/1071546778.db2.gz MBYYAFKMUTZQID-UHFFFAOYSA-N 0 3 466.674 3.666 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(-c3ccc(C)c(Br)c3)nnc2N2CCSCC2)CC1 ZINC001313920799 1071559935 /nfs/dbraw/zinc/55/99/35/1071559935.db2.gz MJZSGXGDYGZGIS-SFHVURJKSA-N 0 3 493.519 3.595 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(-c3ccc(C)o3)nnc2N2CCC[C@H](OC(C)(C)C)C2)CC1 ZINC001313923925 1071569069 /nfs/dbraw/zinc/56/90/69/1071569069.db2.gz BBEMCZAZJKPIDN-FPOVZHCZSA-N 0 3 458.651 3.656 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(-c3cccnc3)nnc2N(C)Cc2ccc(Cl)s2)CC1 ZINC001313924591 1071570979 /nfs/dbraw/zinc/57/09/79/1071570979.db2.gz HAQBOBYDMCUCPU-QGZVFWFLSA-N 0 3 460.051 3.717 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(N3CCO[C@H](c4ccccc4Cl)C3)nnc2C(C)(C)C)CC1 ZINC001313926176 1071575599 /nfs/dbraw/zinc/57/55/99/1071575599.db2.gz ATPBUMWZHNISDD-KNQAVFIVSA-N 0 3 475.081 3.833 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(-c3ccc[nH]3)nnc2N(C)Cc2ccc(Br)cc2)CC1 ZINC001313925244 1071572660 /nfs/dbraw/zinc/57/26/60/1071572660.db2.gz OCNJSJNVQKWAGI-GOSISDBHSA-N 0 3 486.462 3.698 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(-c3ccc(F)cc3Br)nnc2N(C)CC(C)C)CC1 ZINC001313925463 1071573849 /nfs/dbraw/zinc/57/38/49/1071573849.db2.gz RBHMLORSCRVZNO-KRWDZBQOSA-N 0 3 481.458 3.965 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(-c3ccccc3F)nnc2N2CCC[C@@](C)(OC)CC2)CC1 ZINC001313925501 1071573966 /nfs/dbraw/zinc/57/39/66/1071573966.db2.gz RXUHUTNFZFVTQM-CJFMBICVSA-N 0 3 458.626 3.506 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(-c3ccc(OC)c(OC)c3)nnc2N(C)Cc2ccc(C)s2)CC1 ZINC001313925674 1071574042 /nfs/dbraw/zinc/57/40/42/1071574042.db2.gz UNSYGJLRDOCRNX-IBGZPJMESA-N 0 3 498.697 3.995 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(-c3ccc(Cl)cc3F)nnc2N(C)CC2CCOCC2)CC1 ZINC001313925959 1071574808 /nfs/dbraw/zinc/57/48/08/1071574808.db2.gz VRTBLQVSFWVGQZ-GOSISDBHSA-N 0 3 479.044 3.626 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(CC(C)(C)C)nnc2N(C)Cc2ccc(OC)c(OC)c2)CC1 ZINC001313925750 1071574955 /nfs/dbraw/zinc/57/49/55/1071574955.db2.gz AEMCHNANXFDXCJ-HXUWFJFHSA-N 0 3 472.678 3.546 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(-c3ccc(OC)cc3OC)nnc2N2C[C@H](C)CC[C@H]2C)CC1 ZINC001313926301 1071576183 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0 JHADHN CC[C@@H]1C(=O)NCCN1c1nnc(-c2cccc(OC(F)F)c2)n1C[C@@H](c1ccsc1)N(C)C ZINC001306249148 1068659476 /nfs/dbraw/zinc/65/94/76/1068659476.db2.gz UIGPLJKAZREZIQ-MOPGFXCFSA-N 0 3 490.580 3.626 20 0 JHADHN CC[C@@H]1C(=O)NCCN1c1nnc(COc2cc(C)cc(C)c2)n1C[C@H](c1cccs1)N(C)C ZINC001306256922 1068664113 /nfs/dbraw/zinc/66/41/13/1068664113.db2.gz IXYPZONZCYDQMG-NHCUHLMSSA-N 0 3 482.654 3.553 20 0 JHADHN CC[C@@H]1[C@H](C)CCN1c1nnc(Cc2csc(C)n2)n1C[C@H](C)CN1CCN(CC)CC1 ZINC001306271404 1068683930 /nfs/dbraw/zinc/68/39/30/1068683930.db2.gz DBQNBYMHGWQXJL-WOIUINJBSA-N 0 3 459.708 3.532 20 0 JHADHN CC[C@@H]1[C@@H](C)CCN1c1nnc(COc2ccccc2F)n1CCCN1CCN(CC)CC1 ZINC001306275714 1068689355 /nfs/dbraw/zinc/68/93/55/1068689355.db2.gz HOEWVLAIUSQMDA-RBBKRZOGSA-N 0 3 458.626 3.649 20 0 JHADHN CC[C@@H]1CCC[C@@H]1Cn1c(N2C[C@H](N3CCCN(C(C)=O)CC3)[C@@H](C)C2)nnc1C(C)(C)C ZINC001306315446 1068734515 /nfs/dbraw/zinc/73/45/15/1068734515.db2.gz POAZPIOPAIKTQN-IZBOUPIGSA-N 0 3 458.695 3.781 20 0 JHADHN CC[C@@H]1CCCN1c1nnc(-c2cccc(OC(F)F)c2)n1C[C@H](C)N1CCN(CC)CC1 ZINC001306348420 1068785364 /nfs/dbraw/zinc/78/53/64/1068785364.db2.gz UDFRZRMMGJWZQG-AZUAARDMSA-N 0 3 462.589 3.951 20 0 JHADHN CCC1CCN(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2C[C@@H](C)N2CCN(CC)CC2)CC1 ZINC001306382904 1068814871 /nfs/dbraw/zinc/81/48/71/1068814871.db2.gz DDUIWEPOQQWWJJ-YMPZKCBVSA-N 0 3 460.711 3.849 20 0 JHADHN CC[C@H]1CCN(c2nnc(COc3cc(C)cc(C)c3)n2C[C@H](C)N2CCN(CC)CC2)C1 ZINC001306383924 1068816243 /nfs/dbraw/zinc/81/62/43/1068816243.db2.gz SACVADVIOXSYAL-GOTSBHOMSA-N 0 3 454.663 3.736 20 0 JHADHN CC[C@H]1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@@H](C)CN2CCN(CC)CC2)C1 ZINC001306383843 1068816898 /nfs/dbraw/zinc/81/68/98/1068816898.db2.gz UZSJLWAWLOZCMT-GOTSBHOMSA-N 0 3 454.663 3.675 20 0 JHADHN CC[C@@H]1CN(c2nnc([C@H](C)Oc3ccc(F)cc3)n2CCCN2CCN(CC)CC2)C[C@@H](C)O1 ZINC001306396541 1068844386 /nfs/dbraw/zinc/84/43/86/1068844386.db2.gz WDCZUZPXNJLACI-FUPPJEDESA-N 0 3 488.652 3.589 20 0 JHADHN COc1ccc([C@@H](NC(C)C)C(=O)NCCCN2CCN(c3ccccc3Cl)CC2)cc1 ZINC001306434749 1068937927 /nfs/dbraw/zinc/93/79/27/1068937927.db2.gz GYUPEILZKHBRPA-XMMPIXPASA-N 0 3 459.034 3.716 20 0 JHADHN CC[C@H]1CN(c2nnc(COc3ccc(Cl)cc3)n2C[C@H](C)N2CCN(CC)CC2)CCS1 ZINC001306454218 1068975303 /nfs/dbraw/zinc/97/53/03/1068975303.db2.gz SMCBVXODJSRFES-UGKGYDQZSA-N 0 3 493.121 3.868 20 0 JHADHN Cc1cc(NC(=O)N[C@H]2CCCN(CCCO)C2)n(-c2cc(C(F)(F)F)ccc2Cl)n1 ZINC001310499872 1068984471 /nfs/dbraw/zinc/98/44/71/1068984471.db2.gz VTDNJRLVQNEZDZ-HNNXBMFYSA-N 0 3 459.900 3.821 20 0 JHADHN CC[C@H]1CN(c2nnc(CSc3ccc(C)cc3)n2C[C@@H](C)N2CCN(CC)CC2)CCO1 ZINC001306458616 1068990792 /nfs/dbraw/zinc/99/07/92/1068990792.db2.gz ZBABDVZTRWCEDL-YADHBBJMSA-N 0 3 472.703 3.520 20 0 JHADHN CC[C@@H]1CN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@@H](c2ccccc2)N(C)C)CCO1 ZINC001306464568 1069001264 /nfs/dbraw/zinc/00/12/64/1069001264.db2.gz LZWMETWAHYTYEM-ACESQOTJSA-N 0 3 498.672 3.967 20 0 JHADHN CC/C=C/Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(CCOC)[C@@H](CCC)C1 ZINC001306471238 1069014548 /nfs/dbraw/zinc/01/45/48/1069014548.db2.gz SMZGCYQGSDTHMB-BXKJMJEDSA-N 0 3 455.603 3.620 20 0 JHADHN CC/C=C/Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN(C2CCOCC2)CC1 ZINC001306492900 1069032591 /nfs/dbraw/zinc/03/25/91/1069032591.db2.gz CNZSJBCMTUHVFU-BXKJMJEDSA-N 0 3 474.650 3.617 20 0 JHADHN CCN1CCN(c2cccc(NC(=O)N[C@H]3CCN(c4ccc(Cl)c(F)c4)C3=O)c2)CC1 ZINC001310597980 1069041217 /nfs/dbraw/zinc/04/12/17/1069041217.db2.gz VBDHFKHSEUTWEF-NRFANRHFSA-N 0 3 459.953 3.548 20 0 JHADHN Cn1nc(-c2ccc(F)cc2F)cc1NC(=O)NCC1(O)CCN(Cc2ccccc2)CC1 ZINC001310673557 1069102066 /nfs/dbraw/zinc/10/20/66/1069102066.db2.gz IZQFFTXEPNSCOB-UHFFFAOYSA-N 0 3 455.509 3.514 20 0 JHADHN CCOC(=O)c1cc(NC(=O)NCc2ccccc2CN2CCN(CC)CC2)c(F)cc1C ZINC001310723177 1069134516 /nfs/dbraw/zinc/13/45/16/1069134516.db2.gz IAICPUAYVJRGSY-UHFFFAOYSA-N 0 3 456.562 3.770 20 0 JHADHN CNC(=O)c1cc(Oc2cccc(NC(=O)N[C@@H]3CN(Cc4ccccc4)C[C@H]3C)c2)ccn1 ZINC001310818711 1069176745 /nfs/dbraw/zinc/17/67/45/1069176745.db2.gz JMMOZWXMHJGVJH-HOYKHHGWSA-N 0 3 459.550 3.876 20 0 JHADHN CCC[C@](C)(O)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCN(CCC(C)(C)C)CC1 ZINC001306542331 1069192416 /nfs/dbraw/zinc/19/24/16/1069192416.db2.gz LOZYCISYHOKYQR-SANMLTNESA-N 0 3 467.662 3.626 20 0 JHADHN COc1ccc([C@@H](CN(C)C)NC(=O)Nc2ccc(I)cc2F)cc1 ZINC001310977418 1069238063 /nfs/dbraw/zinc/23/80/63/1069238063.db2.gz ANALAFCPRMCTRJ-QGZVFWFLSA-N 0 3 457.287 3.863 20 0 JHADHN O=C(Nc1ccc(-c2ccc(Cl)s2)nn1)N[C@@H]1CCN(Cc2ccccc2)C[C@H]1CO ZINC001310978772 1069238712 /nfs/dbraw/zinc/23/87/12/1069238712.db2.gz ZFAQECCQHSNPQX-DLBZAZTESA-N 0 3 457.987 3.863 20 0 JHADHN CCC[C@H](C)N(C)c1nnc(-c2ccc(-n3cnnn3)cc2)n1C[C@H](c1ccsc1)N(C)C ZINC001306572369 1069239637 /nfs/dbraw/zinc/23/96/37/1069239637.db2.gz BVUMTSBQEPDRNW-LAUBAEHRSA-N 0 3 465.631 3.910 20 0 JHADHN CCC[C@H]1CN(c2nnc(C(C)(C)C)n2Cc2cn3ccc(C)cc3n2)CCN1CCOC ZINC001306616650 1069297658 /nfs/dbraw/zinc/29/76/58/1069297658.db2.gz HJNJROSSRSEIMU-NRFANRHFSA-N 0 3 453.635 3.517 20 0 JHADHN CCC[C@H]1CN(c2nnc(-c3cc(F)ccc3Br)n2C[C@H](C)OC)CCN1CCOC ZINC001306616569 1069298947 /nfs/dbraw/zinc/29/89/47/1069298947.db2.gz IDKZXJMOKWEKMR-WMZOPIPTSA-N 0 3 498.441 3.819 20 0 JHADHN CCC[C@H]1CN(c2nnc(-c3ccc(Cl)cc3)n2Cc2cc(C)no2)CCN1CCOC ZINC001306618169 1069301163 /nfs/dbraw/zinc/30/11/63/1069301163.db2.gz CXPSQWDOBGJWKJ-FQEVSTJZSA-N 0 3 458.994 3.880 20 0 JHADHN CCC[C@H]1CN(c2nnc(-c3ccc(Cl)cc3OC)n2Cc2cc(C)no2)CCN1CCOC ZINC001306621290 1069309575 /nfs/dbraw/zinc/30/95/75/1069309575.db2.gz ABCVTWGJPQRZQA-IBGZPJMESA-N 0 3 489.020 3.889 20 0 JHADHN OCCOCCNCc1cc(Br)c(OCc2ccccc2)c(Br)c1 ZINC000010436464 555709927 /nfs/dbraw/zinc/70/99/27/555709927.db2.gz NOZYNZVQLOMLGT-UHFFFAOYSA-N 0 3 459.178 3.889 20 0 JHADHN C[C@@H]1CN(C)[C@@H](C)CN1c1c2c(cnc1Cl)C1(CCN(Cc3ccccc3)CC1)OC2=O ZINC001164643614 719228590 /nfs/dbraw/zinc/22/85/90/719228590.db2.gz ZPIZVBDQRPLMTG-ZWKOTPCHSA-N 0 3 455.002 3.926 20 0 JHADHN CN(Cc1ccc(N2CCC3(CCn4c(-c5ccc(C(N)=O)cc5)cnc43)CC2)nc1)C1CC1 ZINC001164695930 719830454 /nfs/dbraw/zinc/83/04/54/719830454.db2.gz GRZXYCOLUMXWII-UHFFFAOYSA-N 0 3 456.594 3.580 20 0 JHADHN c1cncc(CN2CC[C@H]3[C@H]2CCN3c2nc(CN3CCOCC3)nc3sc4c(c32)CCCC4)c1 ZINC001164733445 720437536 /nfs/dbraw/zinc/43/75/36/720437536.db2.gz POZHHJXMXFYWOE-YADHBBJMSA-N 0 3 490.677 3.651 20 0 JHADHN COc1ccc(-c2nc3ccc(F)cc3c(N3CCN4C[C@@H](Oc5cncnc5)C[C@H]4C3)n2)cc1 ZINC001164740123 720659682 /nfs/dbraw/zinc/65/96/82/720659682.db2.gz QGEOQKVVXSSECW-FPOVZHCZSA-N 0 3 472.524 3.576 20 0 JHADHN c1ccc(-c2ncc(N3CCN4C[C@H](Oc5cncnc5)C[C@@H]4C3)nc2-c2ccccc2)cc1 ZINC001164738935 720690293 /nfs/dbraw/zinc/69/02/93/720690293.db2.gz LPIRHZYDCUXANZ-DHIUTWEWSA-N 0 3 450.546 3.943 20 0 JHADHN CCOC(=O)c1ccc(Cl)nc1-c1ccc(F)cc1N1CCN2C[C@@H](Oc3cncnc3)C[C@@H]2C1 ZINC001164739870 720730493 /nfs/dbraw/zinc/73/04/93/720730493.db2.gz JBYQSEYMKWEUJL-MSOLQXFVSA-N 0 3 497.958 3.850 20 0 JHADHN Cc1ccc(S(=O)(=O)n2ccc3c2ncnc3N2CCn3c(CN(C)C(C)C)cnc3[C@@H]2C)cc1 ZINC001164861624 720929825 /nfs/dbraw/zinc/92/98/25/720929825.db2.gz TZYLNZGKPSYABX-IBGZPJMESA-N 0 3 493.637 3.595 20 0 JHADHN Clc1nc2c(c(N3CCN4C[C@H](OCc5cccnc5)C[C@@H]4C3)n1)CN(Cc1ccccc1)C2 ZINC001164870861 721068621 /nfs/dbraw/zinc/06/86/21/721068621.db2.gz WXIGCQPWCFECLG-FGZHOGPDSA-N 0 3 477.012 3.521 20 0 JHADHN C[C@@H]1CCCCN1c1nc2ccccc2nc1N1CCN2C[C@@H](OCc3cccnc3)C[C@@H]2C1 ZINC001164878217 721142676 /nfs/dbraw/zinc/14/26/76/721142676.db2.gz PRSHYMJHSZAMQQ-MZYLBHOOSA-N 0 3 458.610 3.883 20 0 JHADHN F[C@H](Oc1cccc(-c2ccc(Cl)nn2)c1)N1CCN2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164880664 721162471 /nfs/dbraw/zinc/16/24/71/721162471.db2.gz WURDUQDLFMYQDY-PTLVVNQVSA-N 0 3 469.948 3.799 20 0 JHADHN Clc1cccc(COc2cncc(N3CCN4C[C@H](OCc5cccnc5)C[C@H]4C3)n2)c1 ZINC001164881215 721183665 /nfs/dbraw/zinc/18/36/65/721183665.db2.gz ZZLJQZWIPGGOSK-FCHUYYIVSA-N 0 3 451.958 3.584 20 0 JHADHN Cc1sc2nc(CN3CCCCC3)nc(N3C[C@@H]4CCN(Cc5cnn(C)c5)C[C@@H]4C3)c2c1C ZINC001164767681 721199640 /nfs/dbraw/zinc/19/96/40/721199640.db2.gz KJKNPGFWFZXAFX-FCHUYYIVSA-N 0 3 479.698 3.986 20 0 JHADHN Cn1cc(CN2CC[C@H]3CN(c4nc(-c5cccnc5)nc5sc6c(c54)CCC6)C[C@@H]3C2)cn1 ZINC001164765645 721201604 /nfs/dbraw/zinc/20/16/04/721201604.db2.gz IBNBPHPHVGVBOO-PMACEKPBSA-N 0 3 471.634 3.934 20 0 JHADHN Fc1cccc(O[C@@H]2C[C@@H]3CN(c4ncnc5c4CCN(Cc4ccccc4)C5)CCN3C2)c1 ZINC001164908102 721529694 /nfs/dbraw/zinc/52/96/94/721529694.db2.gz ORWNGLDDXZHQKP-ISKFKSNPSA-N 0 3 459.569 3.516 20 0 JHADHN CN(Cc1cccnc1)[C@@H]1CN(c2ccc3c(n2)CCN(Cc2ccccc2)C3)[C@H]2CCCO[C@H]12 ZINC001164800550 721543794 /nfs/dbraw/zinc/54/37/94/721543794.db2.gz CHFLIVJJHLVBRP-GKRYNVPLSA-N 0 3 469.633 3.903 20 0 JHADHN Fc1ccc(Cn2ccc3c2ncnc3N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)cc1 ZINC001164979847 722124658 /nfs/dbraw/zinc/12/46/58/722124658.db2.gz QMEACMGEJUHGJZ-RCZVLFRGSA-N 0 3 472.568 3.741 20 0 JHADHN CC(C)(C)OC(=O)c1cnc(Cl)cc1N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164978402 722127127 /nfs/dbraw/zinc/12/71/27/722127127.db2.gz ONMRPXOCXNMTOS-GHTZIAJQSA-N 0 3 458.990 3.813 20 0 JHADHN FC(F)(c1nc2ccccc2nc1Cl)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164983076 722127871 /nfs/dbraw/zinc/12/78/71/722127871.db2.gz XYPDXPWYAKDTHV-YLJYHZDGSA-N 0 3 459.928 3.950 20 0 JHADHN CCOC(=O)c1ccc(C(F)(F)N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)c(Cl)n1 ZINC001164982662 722137078 /nfs/dbraw/zinc/13/70/78/722137078.db2.gz RWLRJZZFGINIAE-XLIONFOSSA-N 0 3 480.943 3.579 20 0 JHADHN COC(=O)c1ccc(-c2ccc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)nc2C)cc1 ZINC001164983837 722137330 /nfs/dbraw/zinc/13/73/30/722137330.db2.gz VNWZQXIDDQGTCV-AZGAKELHSA-N 0 3 472.589 3.966 20 0 JHADHN CCC[C@@H]1CN(c2nnc(-c3cc4c(s3)CC[C@@H](C)C4)n2CCOC)CCN1CCOC ZINC001306621509 1069310360 /nfs/dbraw/zinc/31/03/60/1069310360.db2.gz XYKBLVGTRJLIEH-UYAOXDASSA-N 0 3 461.676 3.715 20 0 JHADHN CCC[C@H]1CN(c2nnc(-c3cccc(C)n3)n2Cc2nc(C)c(C)s2)CCN1CCOC ZINC001306624180 1069317219 /nfs/dbraw/zinc/31/72/19/1069317219.db2.gz MFIYSYDQFJQPEA-FQEVSTJZSA-N 0 3 469.659 3.707 20 0 JHADHN CCC[C@@H]1CN(c2nnc(CC(C)(C)C)n2C[C@@H]2CCC[C@@]3(CCOC3)O2)CCN1CCOC ZINC001306628099 1069325962 /nfs/dbraw/zinc/32/59/62/1069325962.db2.gz DEBARKCXXHYXTH-UFPGJGBJSA-N 0 3 477.694 3.532 20 0 JHADHN CCN(C(=O)Nc1nc2cc(S(=O)(=O)CC)ccc2o1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001311328537 1069326002 /nfs/dbraw/zinc/32/60/02/1069326002.db2.gz LIQJERNBCXAXCC-SFHVURJKSA-N 0 3 456.568 3.750 20 0 JHADHN Cc1cccc(N2CCN(CCCCNC(=O)N3C[C@@H](C)O[C@@H](CC(F)(F)F)C3)CC2)c1 ZINC001311381741 1069354707 /nfs/dbraw/zinc/35/47/07/1069354707.db2.gz UCWHUKAMDVJSMN-CTNGQTDRSA-N 0 3 456.553 3.649 20 0 JHADHN CCC[C@@H]1CN(c2nnc(-c3ccccc3C)n2CCn2cc(Cl)cn2)CCN1CCOC ZINC001306647411 1069359386 /nfs/dbraw/zinc/35/93/86/1069359386.db2.gz OZKNLFZWPNRDKV-OAQYLSRUSA-N 0 3 472.037 3.741 20 0 JHADHN CC[C@H](CNC(=O)NC[C@@H](c1cccc(C)c1)N1CCOCC1)N1CCc2ccccc2C1 ZINC001311392899 1069359622 /nfs/dbraw/zinc/35/96/22/1069359622.db2.gz XEQUIJFHLSZNGD-FTJBHMTQSA-N 0 3 450.627 3.504 20 0 JHADHN CCCCCn1c(COc2ccccc2CC)nnc1N1C[C@H](N2CCCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001306657029 1069369959 /nfs/dbraw/zinc/36/99/59/1069369959.db2.gz XFIQSKNPRXHPPB-DHLKQENFSA-N 0 3 496.700 3.989 20 0 JHADHN CCCN(CC(C)(C)O)C(=O)NCCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1 ZINC001311451008 1069384793 /nfs/dbraw/zinc/38/47/93/1069384793.db2.gz BPCDJDAUQNQLGY-UHFFFAOYSA-N 0 3 458.569 3.800 20 0 JHADHN CCN(CC)[C@H](CNC(=O)NCc1ccc(C)cc1N1CCOCC1)c1cccc(OC)c1 ZINC001311468101 1069391878 /nfs/dbraw/zinc/39/18/78/1069391878.db2.gz GNZZVNKVEYOSGX-RUZDIDTESA-N 0 3 454.615 3.723 20 0 JHADHN CCCCN(C)C(=O)C1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H](c2ccc(C)cc2)N(C)C)CC1 ZINC001306665585 1069392082 /nfs/dbraw/zinc/39/20/82/1069392082.db2.gz OCVUQUQDYIODNE-DQEYMECFSA-N 0 3 496.700 3.868 20 0 JHADHN CCCCN(C)c1nnc(-c2cccc(Br)c2)n1C[C@H](C)N1CCN(CC)CC1 ZINC001306666793 1069394988 /nfs/dbraw/zinc/39/49/88/1069394988.db2.gz CUVUEUCARKIHED-SFHVURJKSA-N 0 3 463.468 3.970 20 0 JHADHN CCCCN(C)c1nnc(CNC(=O)c2cccs2)n1C[C@@H](C)N1CCc2ccccc2C1 ZINC001306677083 1069400880 /nfs/dbraw/zinc/40/08/80/1069400880.db2.gz QWMWEDHBISCVRU-LJQANCHMSA-N 0 3 466.655 3.953 20 0 JHADHN CN(C(=O)NCc1ccc(CN2CCN(C)CC2)cc1)[C@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC001311496411 1069406340 /nfs/dbraw/zinc/40/63/40/1069406340.db2.gz MYVGHIAOKJREBF-DQEYMECFSA-N 0 3 450.627 3.822 20 0 JHADHN CCC(CC)[C@H](CNC(=O)N[C@@H](CN(C)C)c1cccc(C(F)(F)F)c1)N1CCOCC1 ZINC001311536592 1069429170 /nfs/dbraw/zinc/42/91/70/1069429170.db2.gz XNKZYBFEGKHDSB-SFTDATJTSA-N 0 3 458.569 3.744 20 0 JHADHN CCCCn1c(-c2cc(F)ccc2Br)nnc1N1CCN(C[C@H]2CCOC2)CC1 ZINC001306703483 1069439534 /nfs/dbraw/zinc/43/95/34/1069439534.db2.gz RVKDREAHBMUEGL-MRXNPFEDSA-N 0 3 466.399 3.805 20 0 JHADHN CC[C@@H](c1ccccc1)N1CCN(C(=O)NC[C@@H](c2cccs2)N2CCN(C)CC2)CC1 ZINC001311569516 1069442197 /nfs/dbraw/zinc/44/21/97/1069442197.db2.gz GAZMFLBFWSAESU-GOTSBHOMSA-N 0 3 455.672 3.515 20 0 JHADHN CC1CCN([C@@H](CNC(=O)N(C)[C@@H]2CCN(Cc3ccccc3)C2=O)c2cccs2)CC1 ZINC001311575806 1069445845 /nfs/dbraw/zinc/44/58/45/1069445845.db2.gz YLYPPBCRJDXBGT-YADHBBJMSA-N 0 3 454.640 3.964 20 0 JHADHN CCc1ccc([C@H](CNC(=O)N2CCCN(c3cc(OC)cc(OC)c3)CC2)N(C)C)cc1 ZINC001311571273 1069443421 /nfs/dbraw/zinc/44/34/21/1069443421.db2.gz PCKRZDRDOHQHDO-VWLOTQADSA-N 0 3 454.615 3.791 20 0 JHADHN Cc1ccc([C@@H](CN2CCOCC2)NC(=O)N2CCCN(Cc3ccccc3)C[C@@H]2C)cc1 ZINC001311595945 1069457496 /nfs/dbraw/zinc/45/74/96/1069457496.db2.gz YWVHZMOGQJUMDU-JYFHCDHNSA-N 0 3 450.627 3.674 20 0 JHADHN CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1NC(=O)NCCCCN1CCN(c2ccccc2)CC1 ZINC001311633733 1069480470 /nfs/dbraw/zinc/48/04/70/1069480470.db2.gz OGAIEEAKUQZYGH-DHIUTWEWSA-N 0 3 473.662 3.724 20 0 JHADHN CN(CCNC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@@H]1c1cccnc1)Cc1ccccc1 ZINC001311686145 1069503510 /nfs/dbraw/zinc/50/35/10/1069503510.db2.gz WIFCTECGAWRANN-JOCHJYFZSA-N 0 3 453.587 3.517 20 0 JHADHN CCN(CC)[C@@H](CNC(=O)N1CCOCC2(CCOCC2)C1)c1ccc(C(F)(F)F)cc1 ZINC001311718831 1069517794 /nfs/dbraw/zinc/51/77/94/1069517794.db2.gz KXMVVBDIAURMFJ-FQEVSTJZSA-N 0 3 457.537 3.927 20 0 JHADHN CCN(CC)[C@@H](CNC(=O)N1C[C@@H](c2ccccc2)[C@H](C(N)=O)C1)c1ccc(C(F)(F)F)cc1 ZINC001311719702 1069518424 /nfs/dbraw/zinc/51/84/24/1069518424.db2.gz YKHRJSXERDEHOQ-BDTNDASRSA-N 0 3 476.543 3.999 20 0 JHADHN CCN(CC)[C@H](CNC(=O)N1CC[C@H](CN2CCCC2=O)C1)c1ccc(C(F)(F)F)cc1 ZINC001311719621 1069518492 /nfs/dbraw/zinc/51/84/92/1069518492.db2.gz WQBXNKVNDJBJLN-YLJYHZDGSA-N 0 3 454.537 3.742 20 0 JHADHN CC[C@@H]1Oc2cc([C@@H](C)NC(=O)NCC(C)(C)N3CCc4ccccc4C3)ccc2NC1=O ZINC001311719875 1069518880 /nfs/dbraw/zinc/51/88/80/1069518880.db2.gz DQNBQVGXRABFLC-VGSWGCGISA-N 0 3 450.583 3.993 20 0 JHADHN CC(=O)Nc1ccc(CN2CCC(NC(=O)NCc3ccccc3Br)CC2)cc1 ZINC001311734098 1069526521 /nfs/dbraw/zinc/52/65/21/1069526521.db2.gz DPRHAHYXJQSJQK-UHFFFAOYSA-N 0 3 459.388 3.871 20 0 JHADHN CN(C)C(=O)[C@@H]1CCCN1CCCNC(=O)N1CCC[C@@H](c2cccc(C(F)(F)F)c2)C1 ZINC001311804965 1069552763 /nfs/dbraw/zinc/55/27/63/1069552763.db2.gz MRHBHSZHKUHODH-QUCCMNQESA-N 0 3 454.537 3.537 20 0 JHADHN C[C@H](NC(=O)N[C@@H]1CCN(C)[C@H]1c1ccc(F)cc1)c1cc(F)ccc1N1CCN(C)CC1 ZINC001311819209 1069559078 /nfs/dbraw/zinc/55/90/78/1069559078.db2.gz GXIWYTBDYVMXSW-YJGRUCBDSA-N 0 3 457.569 3.522 20 0 JHADHN CCCCOCCn1c(-c2cc(Br)cn2C)nnc1N1C[C@@H](C)N(CC)C[C@H]1C ZINC001306760561 1069560397 /nfs/dbraw/zinc/56/03/97/1069560397.db2.gz FEUUTXKIVACOIJ-IAGOWNOFSA-N 0 3 467.456 3.782 20 0 JHADHN Cc1ccc(CN2CC[C@H](NC(=O)N[C@H]3CCN(c4ccc(Br)cc4)C3)C2)cc1 ZINC001311883807 1069595682 /nfs/dbraw/zinc/59/56/82/1069595682.db2.gz GDIWZUJUCMYQGX-SFTDATJTSA-N 0 3 457.416 3.910 20 0 JHADHN CCCN(CC)c1nnc(-c2ccc(Br)cc2)n1C[C@H](C)N1CCN(CC)CC1 ZINC001306791716 1069598070 /nfs/dbraw/zinc/59/80/70/1069598070.db2.gz TTWMWYCEJMXMPD-SFHVURJKSA-N 0 3 463.468 3.970 20 0 JHADHN CCCN(CC)CCn1c(-c2ccc(CC)cc2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1 ZINC001306807024 1069620753 /nfs/dbraw/zinc/62/07/53/1069620753.db2.gz MINKLRLDOCXHEP-QFIPXVFZSA-N 0 3 461.676 3.643 20 0 JHADHN CC(C)Oc1ccc([C@H](CNC(=O)NC[C@@H](NC(=O)OC(C)(C)C)C(C)C)N(C)C)cc1 ZINC001311943243 1069623838 /nfs/dbraw/zinc/62/38/38/1069623838.db2.gz AYWPIMOELHXAIH-RTWAWAEBSA-N 0 3 450.624 3.925 20 0 JHADHN CCOc1cc(CCCn2c(N3CCN(C[C@H]4CCOC4)CC3)nnc2C(C)(C)C)ccc1OC ZINC001314158794 1069637200 /nfs/dbraw/zinc/63/72/00/1069637200.db2.gz UTBJIJXUTIUXBQ-JOCHJYFZSA-N 0 3 485.673 3.774 20 0 JHADHN CCOc1cc(CCCn2c(N3CCN(C[C@@H]4CCOC4)CC3)nnc2C(C)(C)C)ccc1OC ZINC001314158795 1069637232 /nfs/dbraw/zinc/63/72/32/1069637232.db2.gz UTBJIJXUTIUXBQ-QFIPXVFZSA-N 0 3 485.673 3.774 20 0 JHADHN CCOc1ccc(-n2c(SCC(=O)NCCN3CCC[C@@H]3C)nnc2-c2ccco2)cc1 ZINC001306829114 1069647141 /nfs/dbraw/zinc/64/71/41/1069647141.db2.gz LGIGWIGDPFEQAD-KRWDZBQOSA-N 0 3 455.584 3.619 20 0 JHADHN O=C(NCCSCCOc1cccc(Br)c1)N1CCN(C2CCCC2)CC1 ZINC001312004264 1069664065 /nfs/dbraw/zinc/66/40/65/1069664065.db2.gz YAQHQJPKOGFLCQ-UHFFFAOYSA-N 0 3 456.450 3.831 20 0 JHADHN Cc1ccc(C2N=NC(=S)N2CCC(=O)Nc2ccc(NC3=NCCN3)c(Cl)c2)cc1 ZINC001306875990 1069670461 /nfs/dbraw/zinc/67/04/61/1069670461.db2.gz YUWRVCZTMOGCPF-UHFFFAOYSA-N 0 3 455.975 3.596 20 0 JHADHN O=C(NC[C@@H]1CCCN1Cc1ccccc1)N[C@@H]1CCN(c2ccccc2Br)C1 ZINC001312016540 1069672229 /nfs/dbraw/zinc/67/22/29/1069672229.db2.gz CFUMIADNLHOCPT-UXHICEINSA-N 0 3 457.416 3.992 20 0 JHADHN CCOc1ccc(CCn2c(CC)nnc2N2CCN(C3CCOCC3)C[C@@H]2C)cc1OCC ZINC001314182711 1069729863 /nfs/dbraw/zinc/72/98/63/1069729863.db2.gz NCZJUFXOMWFSBK-FQEVSTJZSA-N 0 3 471.646 3.570 20 0 JHADHN CCCn1c(-c2cc(OC)ccc2Br)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC001307019533 1069728372 /nfs/dbraw/zinc/72/83/72/1069728372.db2.gz IDUWFZFXKPRFHH-GOSISDBHSA-N 0 3 491.478 3.731 20 0 JHADHN CCOc1ccc(CCn2c(N3CC[C@H](N4CCN(CC)CC4)C3)nnc2C(C)(C)C)cc1OCC ZINC001314182362 1069728452 /nfs/dbraw/zinc/72/84/52/1069728452.db2.gz IOQVROMBBUQGMI-QHCPKHFHSA-N 0 3 498.716 3.832 20 0 JHADHN CCOc1ccc(CN(C)c2nnc(C(=O)N3CCCC3)n2C[C@H]2N(C)CCCC2(C)C)cc1 ZINC001314184649 1069735338 /nfs/dbraw/zinc/73/53/38/1069735338.db2.gz XKHVCISRJNZKSG-JOCHJYFZSA-N 0 3 468.646 3.670 20 0 JHADHN CCOc1ccc(Cn2c(CC(C)(C)C)nnc2N2CC[C@@H](N3CCN(C(C)C)CC3)C2)cc1OC ZINC001314189695 1069748122 /nfs/dbraw/zinc/74/81/22/1069748122.db2.gz JVEHLCOFLUJEER-HSZRJFAPSA-N 0 3 498.716 3.927 20 0 JHADHN CCOc1ccc(O[C@H](C)c2nnc(N3C[C@H](C)N(CC)C[C@@H]3C)n2C[C@@](C)(O)C2CC2)cc1 ZINC001314192024 1069754927 /nfs/dbraw/zinc/75/49/27/1069754927.db2.gz RQWUGKJVLWLAAM-QBKLZVOZSA-N 0 3 471.646 3.897 20 0 JHADHN CCOc1ccc(O[C@@H](C)c2nnc(N3C[C@@H](C)O[C@@H](C)C3)n2CCN2CCCCC2)cc1 ZINC001314202182 1069799563 /nfs/dbraw/zinc/79/95/63/1069799563.db2.gz TZGIMCACMSLMOG-HBMCJLEFSA-N 0 3 457.619 3.916 20 0 JHADHN CCOc1ccccc1OCc1nnc(N2C[C@@H](C)N(CC)C[C@@H]2C)n1CC1=CCCOC1 ZINC001314218587 1069858886 /nfs/dbraw/zinc/85/88/86/1069858886.db2.gz UUJPXJGHJGPRFM-UXHICEINSA-N 0 3 455.603 3.521 20 0 JHADHN CCCN1CCCN(c2nnc(Cc3ccsc3)n2C[C@H](c2cccc(OC)c2)N(C)C)CC1=O ZINC001307069882 1069883090 /nfs/dbraw/zinc/88/30/90/1069883090.db2.gz UDUGAFJWJKRIEV-HSZRJFAPSA-N 0 3 496.681 3.691 20 0 JHADHN C[C@H](NC(=O)NC[C@]1(O)CCN(Cc2ccccc2)C1)c1cc(Cl)ccc1OC(F)F ZINC001312430251 1069931778 /nfs/dbraw/zinc/93/17/78/1069931778.db2.gz QBRODIGAYYYHGE-OYHNWAKOSA-N 0 3 453.917 3.939 20 0 JHADHN CCO[C@@H]1C[C@@H](N(C)c2nnc(-c3cccc(OC)c3)n2C[C@@H](C)N2CCN(CC)CC2)C1(C)C ZINC001314242579 1069947555 /nfs/dbraw/zinc/94/75/55/1069947555.db2.gz HRGQLMQILMEBGP-AGILITTLSA-N 0 3 484.689 3.620 20 0 JHADHN FC(F)(F)COc1cccc(CN2CCC(CN3CCOCC3)CC2)c1Br ZINC001307417029 1069975047 /nfs/dbraw/zinc/97/50/47/1069975047.db2.gz ZZUQHHALVDQKAT-UHFFFAOYSA-N 0 3 451.327 3.934 20 0 JHADHN O=C(NC[C@H]1CN(Cc2ccccc2)CCCO1)N[C@@H]1C[C@H]1c1ccc(Br)cc1 ZINC001312499868 1069975518 /nfs/dbraw/zinc/97/55/18/1069975518.db2.gz KZPSJCRBQNBZCD-FDFHNCONSA-N 0 3 458.400 3.895 20 0 JHADHN Cc1ccccc1CN1CCCN(C(=O)CN2CCc3c(Br)cccc3C2)CC1 ZINC001307447207 1069988688 /nfs/dbraw/zinc/98/86/88/1069988688.db2.gz MEGJTTHSCMHRJE-UHFFFAOYSA-N 0 3 456.428 3.850 20 0 JHADHN COc1ccc(CN2CCN(C(=O)CN(CCc3ccc(Cl)cc3)CC3CC3)CC2)cc1 ZINC001307466907 1070001318 /nfs/dbraw/zinc/00/13/18/1070001318.db2.gz KACBCVZTMUWXDW-UHFFFAOYSA-N 0 3 456.030 3.948 20 0 JHADHN O=C(CCN1CCSC[C@@H]1c1ccccc1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC001307475900 1070006951 /nfs/dbraw/zinc/00/69/51/1070006951.db2.gz KFMNIGUEBPNHFT-JOCHJYFZSA-N 0 3 459.637 3.590 20 0 JHADHN COc1cc(-c2noc(CN3CC[C@@H](C)N(Cc4ccccc4)CC3)n2)cc(OC)c1OC ZINC001307501707 1070019890 /nfs/dbraw/zinc/01/98/90/1070019890.db2.gz OKJAESXPQHBCPT-GOSISDBHSA-N 0 3 452.555 3.859 20 0 JHADHN CCO[C@@H]1CCCN(c2nnc(-c3ccc(CC)cc3)n2C[C@@H](C)N2CCN(CC)CC2)C1 ZINC001314268273 1070020053 /nfs/dbraw/zinc/02/00/53/1070020053.db2.gz GSLWARRTXMLSGF-ZJSXRUAMSA-N 0 3 454.663 3.539 20 0 JHADHN CCOc1ccc(/C=C2/SC(=O)N(CCNC(=O)CN3CC[C@H](CC(C)C)C3)C2=O)cc1 ZINC001307505211 1070022524 /nfs/dbraw/zinc/02/25/24/1070022524.db2.gz CMHIRILCHDPLLL-KNGGAZFVSA-N 0 3 459.612 3.606 20 0 JHADHN CC(C)(C)n1ncnc1CNC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC001312587169 1070031506 /nfs/dbraw/zinc/03/15/06/1070031506.db2.gz VFXLWGUVCGUZMV-FCHUYYIVSA-N 0 3 450.562 3.640 20 0 JHADHN C[C@@H]1CN(c2ccc(NC(=O)CN(C)[C@H]3CCCN(Cc4ccccc4)C3)cc2)C[C@@H](C)O1 ZINC001307525199 1070034252 /nfs/dbraw/zinc/03/42/52/1070034252.db2.gz BRBKCXXWYHOHIX-DRLORSAXSA-N 0 3 450.627 3.835 20 0 JHADHN Cc1ccc(F)cc1NC(=O)CCN1CCC(C(=O)c2ccc3c(c2)NC(=O)[C@@H](C)O3)CC1 ZINC001307545684 1070045559 /nfs/dbraw/zinc/04/55/59/1070045559.db2.gz HNTRZFZOMXOTFZ-MRXNPFEDSA-N 0 3 453.514 3.777 20 0 JHADHN COCCc1ccc(OC[C@H](O)CN2CCC[C@H](c3nc(-c4ccc(F)cc4)no3)C2)cc1 ZINC001307555021 1070049766 /nfs/dbraw/zinc/04/97/66/1070049766.db2.gz KOMGUYCSTRUNOA-RBBKRZOGSA-N 0 3 455.530 3.684 20 0 JHADHN C[C@H](CCc1ccc(I)cc1)NC(=O)N1CCN(C2CC2)C[C@@H](C)C1 ZINC001312630685 1070053436 /nfs/dbraw/zinc/05/34/36/1070053436.db2.gz WVDYKECKFLIXEE-HZPDHXFCSA-N 0 3 455.384 3.738 20 0 JHADHN CN(CCCN(C)C(=O)OC(C)(C)C)C(=O)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC001312633077 1070055195 /nfs/dbraw/zinc/05/51/95/1070055195.db2.gz KLDXXIMCVGDZQK-UHFFFAOYSA-N 0 3 450.546 3.690 20 0 JHADHN CC[C@@H](C)N[C@H](CNC(=O)N1CCC([C@@H]2OCC[C@H]2NC(=O)OC(C)(C)C)CC1)c1ccco1 ZINC001312679480 1070078736 /nfs/dbraw/zinc/07/87/36/1070078736.db2.gz ZAPUCQGDKCXSQA-RQGSJKACSA-N 0 3 478.634 3.813 20 0 JHADHN O=C(CN[C@@H](C[C@H]1CCOC1)c1ccccc1)Nc1cccc(I)c1 ZINC001307612259 1070081921 /nfs/dbraw/zinc/08/19/21/1070081921.db2.gz HZHDITKXACUSBV-BEFAXECRSA-N 0 3 450.320 3.987 20 0 JHADHN CC(C)(C)c1ccc(C2(NCC(=O)N3CCc4cc(S(N)(=O)=O)ccc43)CCCC2)cc1 ZINC001307613621 1070082323 /nfs/dbraw/zinc/08/23/23/1070082323.db2.gz PZIVAUVNGVEIJB-UHFFFAOYSA-N 0 3 455.624 3.580 20 0 JHADHN CCN1CCN(c2ccc(F)cc2[C@@H](C)NCC(=O)N(C)[C@@H](C)c2ccccc2OC)CC1 ZINC001307642124 1070097798 /nfs/dbraw/zinc/09/77/98/1070097798.db2.gz KPKOSDLUJWBVJN-UXHICEINSA-N 0 3 456.606 3.846 20 0 JHADHN CSc1ccc([C@H](CNC(=O)N2CC[C@H](CN(C)C(=O)OC(C)(C)C)C2)N(C)C)cc1 ZINC001312755580 1070105994 /nfs/dbraw/zinc/10/59/94/1070105994.db2.gz QFEMUKWUFQIZGL-XLIONFOSSA-N 0 3 450.649 3.910 20 0 JHADHN CSc1ccc([C@H](CNC(=O)N2CC[C@@H](CN(C)C(=O)OC(C)(C)C)C2)N(C)C)cc1 ZINC001312755579 1070106086 /nfs/dbraw/zinc/10/60/86/1070106086.db2.gz QFEMUKWUFQIZGL-PXNSSMCTSA-N 0 3 450.649 3.910 20 0 JHADHN CCOCc1nnc(N2C[C@@H](C)N(CC)C[C@H]2C)n1CCNc1ncc(Cl)cc1Cl ZINC001314321084 1070106485 /nfs/dbraw/zinc/10/64/85/1070106485.db2.gz HPYSRRLYEOOZHD-HUUCEWRRSA-N 0 3 456.422 3.547 20 0 JHADHN CN(C)c1ccc(NC(=O)CCN2CCC[C@@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)cc1 ZINC001307672484 1070116344 /nfs/dbraw/zinc/11/63/44/1070116344.db2.gz NPIQHCNYHQJVDM-LJQANCHMSA-N 0 3 452.603 3.813 20 0 JHADHN COC[C@]1(CNC(=O)NCCNC(c2ccccc2)c2ccccc2)OCCc2ccccc21 ZINC001312799129 1070128278 /nfs/dbraw/zinc/12/82/78/1070128278.db2.gz RNZBEHFXYRLCJH-NDEPHWFRSA-N 0 3 459.590 3.779 20 0 JHADHN CCOCc1nnc(N2CCC(C(F)(F)F)CC2)n1C[C@H](c1cccc(OC)c1)N(C)C ZINC001314337373 1070132662 /nfs/dbraw/zinc/13/26/62/1070132662.db2.gz WGNMEXXSMDEOSG-LJQANCHMSA-N 0 3 455.525 3.905 20 0 JHADHN CCO[C@H]1C[C@@](CO)(NC(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2c2cccc(F)c2)C1(C)C ZINC001312838450 1070148063 /nfs/dbraw/zinc/14/80/63/1070148063.db2.gz FKMCQROVZIXKLX-LAOBSVPGSA-N 0 3 469.601 3.659 20 0 JHADHN O=C(NC[C@@H](CO)Cc1ccco1)N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1cccc(F)c1 ZINC001312841073 1070149884 /nfs/dbraw/zinc/14/98/84/1070149884.db2.gz YTGWYGMOUCWSSZ-KSNOWIBYSA-N 0 3 451.542 3.537 20 0 JHADHN C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCCN2CC(=O)Nc2ccc(I)cc2)C1 ZINC001307732959 1070156952 /nfs/dbraw/zinc/15/69/52/1070156952.db2.gz SSQXZZKDWIULHX-OAOYMFHYSA-N 0 3 456.368 3.881 20 0 JHADHN O=C(CCN[C@H](CCO)c1ccc(Cl)c(Cl)c1)Nc1ccccc1C(=O)NC1CC1 ZINC001307756103 1070168564 /nfs/dbraw/zinc/16/85/64/1070168564.db2.gz LIWCHLBQTJIKLM-LJQANCHMSA-N 0 3 450.366 3.928 20 0 JHADHN CCOc1cc(NC(=O)c2ccccc2)c(OCC)cc1NC(=O)CN[C@H]1CCOC1(C)C ZINC001307779015 1070179574 /nfs/dbraw/zinc/17/95/74/1070179574.db2.gz NIFIPFLCSJVXAR-QFIPXVFZSA-N 0 3 455.555 3.832 20 0 JHADHN CN(C)C[C@H]1COC2(CCCC2)CN1C(=O)NC[C@](C)(C(=O)OC(C)(C)C)c1ccccc1 ZINC001312956424 1070198009 /nfs/dbraw/zinc/19/80/09/1070198009.db2.gz APRBUGKVEGEWJF-OFVILXPXSA-N 0 3 459.631 3.571 20 0 JHADHN CCOC(=O)c1sc(NC(=O)CN[C@@H]2CCC[C@H]2OCC)c(C(=O)OC(C)(C)C)c1C ZINC001307835094 1070205875 /nfs/dbraw/zinc/20/58/75/1070205875.db2.gz SJYQMMPQEJJFAI-HUUCEWRRSA-N 0 3 454.589 3.674 20 0 JHADHN CCOCc1nnc(N2CCC[C@@H](Oc3ncccc3F)C2)n1C[C@H](c1ccccc1)N(C)C ZINC001314372729 1070209679 /nfs/dbraw/zinc/20/96/79/1070209679.db2.gz ZNTAXBVPYDSHAO-IFMALSPDSA-N 0 3 468.577 3.699 20 0 JHADHN CC(C)(C)OC(=O)N[C@@H]1CCO[C@H]([C@H]2CCCCN2C[C@@H]2CN(c3ccccc3)C(=O)O2)C1 ZINC001307885049 1070224979 /nfs/dbraw/zinc/22/49/79/1070224979.db2.gz FPKAXGSZZQCJFU-NMIHRBCNSA-N 0 3 459.587 3.939 20 0 JHADHN CCOCc1nnc(N2CCN(C(C)(C)C)CC2)n1C[C@H](C)c1nc(-c2ccccc2)no1 ZINC001314384642 1070229177 /nfs/dbraw/zinc/22/91/77/1070229177.db2.gz HACIUYIULHFTMV-SFHVURJKSA-N 0 3 453.591 3.589 20 0 JHADHN CCOCc1nnc(N2CCN(C(C)(C)C)CC2)n1C[C@@H](C)c1nc(-c2ccccc2)no1 ZINC001314384641 1070229283 /nfs/dbraw/zinc/22/92/83/1070229283.db2.gz HACIUYIULHFTMV-GOSISDBHSA-N 0 3 453.591 3.589 20 0 JHADHN CC1(c2ccc(Br)cc2)CCN(C(=O)NC2CCN([C@H]3CCOC3)CC2)CC1 ZINC001313047754 1070234681 /nfs/dbraw/zinc/23/46/81/1070234681.db2.gz SCURQINMBROWBM-FQEVSTJZSA-N 0 3 450.421 3.766 20 0 JHADHN CN(C)C[C@H]1COC2(CCCC2)CN1CC(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC001307939784 1070250183 /nfs/dbraw/zinc/25/01/83/1070250183.db2.gz YEFQRHRKUWNCKO-INIZCTEOSA-N 0 3 450.555 3.602 20 0 JHADHN CCOCc1nnc(N2CCN(Cc3ccsc3)CC2)n1C[C@@H](c1ccc(F)cc1)N(C)C ZINC001314397518 1070257052 /nfs/dbraw/zinc/25/70/52/1070257052.db2.gz TZGIPCMBJVSKDH-QFIPXVFZSA-N 0 3 472.634 3.640 20 0 JHADHN CN(C)C[C@@H](NC(=O)N[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O)c1ccc(F)cc1 ZINC001313140361 1070267414 /nfs/dbraw/zinc/26/74/14/1070267414.db2.gz URKKEGRILNROSS-RTBURBONSA-N 0 3 452.452 3.552 20 0 JHADHN CSc1ccccc1NC(=O)CCN1C[C@H](C(=O)OC(C)(C)C)C[C@H](c2cnn(C)c2)C1 ZINC001308012018 1070278909 /nfs/dbraw/zinc/27/89/09/1070278909.db2.gz JPKOEUJNLWVNPT-ZWKOTPCHSA-N 0 3 458.628 3.918 20 0 JHADHN CC(C)(C)OC(=O)NC[C@H]1CN(CCC(=O)Nc2cc(F)cc(F)c2)C[C@H]1C(F)(F)F ZINC001308058135 1070296618 /nfs/dbraw/zinc/29/66/18/1070296618.db2.gz BNQZWVUDVASFKH-BLLLJJGKSA-N 0 3 451.436 3.928 20 0 JHADHN COC(=O)[C@H](NC[C@H]1CN(Cc2ccccc2)CCCO1)c1ccccc1OC(F)(F)F ZINC001308082154 1070306754 /nfs/dbraw/zinc/30/67/54/1070306754.db2.gz DEZHBVHGGIGVOJ-GHTZIAJQSA-N 0 3 452.473 3.680 20 0 JHADHN CC(C)(C)OC(=O)N1CCC[C@](CO)(NCc2ccc(Br)c3cccnc23)C1 ZINC001308078185 1070305185 /nfs/dbraw/zinc/30/51/85/1070305185.db2.gz KZQSFOQYUQLCST-NRFANRHFSA-N 0 3 450.377 3.849 20 0 JHADHN CCOC[C@H]1CCN(c2nnc(-c3cccc(C)n3)n2C[C@H](c2ccc(F)cc2)N(C)C)C1 ZINC001314432561 1070317412 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JHADHN CC(=O)Nc1cccc(OCCNCc2cc(Br)cc(Br)c2N)c1 ZINC001308251383 1070346520 /nfs/dbraw/zinc/34/65/20/1070346520.db2.gz OUDUVDIZKYNVJC-UHFFFAOYSA-N 0 3 457.166 3.921 20 0 JHADHN CCOC(=O)N1CCC(NC(=O)CCCNCc2c(Cl)cc(Cl)cc2N(C)C)CC1 ZINC001308263215 1070347919 /nfs/dbraw/zinc/34/79/19/1070347919.db2.gz KOZIHZUAKFXDTI-UHFFFAOYSA-N 0 3 459.418 3.666 20 0 JHADHN Cc1nn(-c2ccccc2)c(C)c1CNCCOc1ccc(S(=O)(=O)C(F)(F)F)cc1 ZINC001308333134 1070357829 /nfs/dbraw/zinc/35/78/29/1070357829.db2.gz JMYUDKDGAZURAN-UHFFFAOYSA-N 0 3 453.486 3.951 20 0 JHADHN CN1CCN(Cc2ccccc2)[C@@H](CNCc2cc(OC(F)F)ccc2Br)C1 ZINC001308478294 1070380192 /nfs/dbraw/zinc/38/01/92/1070380192.db2.gz HOXDAWIZEQBFKD-SFHVURJKSA-N 0 3 454.359 3.956 20 0 JHADHN COCCCn1nccc1CN[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1c1ccc(OC)cc1 ZINC001308460393 1070378949 /nfs/dbraw/zinc/37/89/49/1070378949.db2.gz BFEWMMHSESBEKM-GOTSBHOMSA-N 0 3 458.603 3.811 20 0 JHADHN CCOCCN(C)c1nnc(-c2c[nH]c3ccccc32)n1CC(C)(C)N1C[C@@H](C)O[C@@H](C)C1 ZINC001314469114 1070379882 /nfs/dbraw/zinc/37/98/82/1070379882.db2.gz TVLGGSBJCYHHBE-KDURUIRLSA-N 0 3 454.619 3.787 20 0 JHADHN Cc1cccn2cc(COc3ccc(CNCC4(S(=O)(=O)NC(C)(C)C)CC4)cc3)nc12 ZINC001308502674 1070382688 /nfs/dbraw/zinc/38/26/88/1070382688.db2.gz ATIOCGDQMHGXBO-UHFFFAOYSA-N 0 3 456.612 3.562 20 0 JHADHN CCCN1CCC[C@H]1Cn1c(COCC)nnc1N1CCC[C@H](C(=O)c2ccc(F)cc2)C1 ZINC001313453111 1070384687 /nfs/dbraw/zinc/38/46/87/1070384687.db2.gz PGEFWTOGUFAHPR-UNMCSNQZSA-N 0 3 457.594 3.927 20 0 JHADHN CCOc1cc(CNC2C[C@H]3CC[C@@H](C2)S3(=O)=O)cc(Br)c1OC(F)F ZINC001308536953 1070387338 /nfs/dbraw/zinc/38/73/38/1070387338.db2.gz LGLSQIDSZZBQCP-YHWZYXNKSA-N 0 3 454.333 3.647 20 0 JHADHN CC(C)(C)OC(=O)N1CCC[C@@](C)(CN2CCC(NS(=O)(=O)c3cccs3)CC2)C1 ZINC001308578015 1070393290 /nfs/dbraw/zinc/39/32/90/1070393290.db2.gz RPMNOLFPKMOIHC-NRFANRHFSA-N 0 3 457.662 3.528 20 0 JHADHN COCCCNC(=O)C1CCN(Cc2cnc(-c3ccc(Br)cc3)s2)CC1 ZINC001308610777 1070400880 /nfs/dbraw/zinc/40/08/80/1070400880.db2.gz 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CCN(Cc1ccc(Cl)s1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CCN(CC)C(C)C ZINC001313731710 1071048173 /nfs/dbraw/zinc/04/81/73/1071048173.db2.gz QDWIOLJOWKJFIC-INIZCTEOSA-N 0 3 474.096 3.652 20 0 JHADHN CCN1CCN(c2ccc(NC(=O)N[C@@H]3CN(CC(F)(F)F)C[C@H]3c3ccccc3)cc2)CC1 ZINC001310037442 1071076775 /nfs/dbraw/zinc/07/67/75/1071076775.db2.gz WQRJYNHNGNDDMG-XZOQPEGZSA-N 0 3 475.559 3.980 20 0 JHADHN COc1ccc([C@@H](CN(C)C)NC(=O)Nc2ccc3nc(N4CCOCC4)sc3c2)cc1 ZINC001310064011 1071093378 /nfs/dbraw/zinc/09/33/78/1071093378.db2.gz YADITZAVCJYCDR-HXUWFJFHSA-N 0 3 455.584 3.566 20 0 JHADHN CCN(C[C@H]1CCCO1)c1nnc([C@H](C)Oc2ccccc2F)n1CCN1CCN(C)C(C)(C)C1 ZINC001313772204 1071124208 /nfs/dbraw/zinc/12/42/08/1071124208.db2.gz PKYQGRWAKWFZHC-LEWJYISDSA-N 0 3 488.652 3.589 20 0 JHADHN CCOC(=O)c1cnn(-c2cccc(NC(=O)N(CC)[C@@H]3CCN(C)C3)c2)c1C(F)(F)F ZINC001310118024 1071131019 /nfs/dbraw/zinc/13/10/19/1071131019.db2.gz JTLHBAZFQIFVTO-MRXNPFEDSA-N 0 3 453.465 3.626 20 0 JHADHN CN(C)[C@H](Cn1c(-c2ccccn2)nnc1N(C)CC1COC(C)(C)OC1)c1cccs1 ZINC001314820388 1071136190 /nfs/dbraw/zinc/13/61/90/1071136190.db2.gz ZNWMQJXKYJJFCW-LJQANCHMSA-N 0 3 456.616 3.540 20 0 JHADHN Cc1ccc(NC(=O)NCc2ccccc2CN2CCC(O)CC2)c(OC[C@H]2CCCO2)c1 ZINC001310190443 1071195329 /nfs/dbraw/zinc/19/53/29/1071195329.db2.gz ITZABWLFKINGNU-HSZRJFAPSA-N 0 3 453.583 3.831 20 0 JHADHN CCN(CCn1c(-c2cc3ccccc3o2)nnc1N1CCCC[C@H](S(C)(=O)=O)C1)C(C)C ZINC001313804442 1071215252 /nfs/dbraw/zinc/21/52/52/1071215252.db2.gz ACPBOTQJVGBUTD-FQEVSTJZSA-N 0 3 473.643 3.825 20 0 JHADHN CCN(CCn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCC(S(C)(=O)=O)CC1)C(C)C ZINC001313806250 1071223716 /nfs/dbraw/zinc/22/37/16/1071223716.db2.gz SNRMGXWOGWCUPZ-UHFFFAOYSA-N 0 3 475.703 3.986 20 0 JHADHN CN(CCn1c(-c2ccc[nH]2)nnc1N1CC[C@H](NC(=O)OC(C)(C)C)C1)Cc1ccc(F)cc1 ZINC001314860959 1071251260 /nfs/dbraw/zinc/25/12/60/1071251260.db2.gz OHNXLWBQFBPSED-FQEVSTJZSA-N 0 3 483.592 3.648 20 0 JHADHN CN(CCn1c(Cc2ccccn2)nnc1N(C)Cc1cn(C)nc1C(F)(F)F)Cc1ccccc1 ZINC001314862455 1071256068 /nfs/dbraw/zinc/25/60/68/1071256068.db2.gz CBNYKCULKIGEOF-UHFFFAOYSA-N 0 3 498.557 3.785 20 0 JHADHN CCc1ccc(NC(=O)NC[C@@H](c2cccs2)N2CCC(C)CC2)cc1S(N)(=O)=O ZINC001310274426 1071258037 /nfs/dbraw/zinc/25/80/37/1071258037.db2.gz QHSRGYRJAQZFSY-SFHVURJKSA-N 0 3 450.630 3.553 20 0 JHADHN CN(CCn1c(CC(C)(C)C)nnc1N1CCN(c2ncccc2F)CC1)Cc1ccc(F)cc1 ZINC001314864140 1071261887 /nfs/dbraw/zinc/26/18/87/1071261887.db2.gz LVEJHEFWNXSJCG-UHFFFAOYSA-N 0 3 483.611 3.999 20 0 JHADHN CN(CCn1c(CC(C)(C)C)nnc1N1CCN(C(=O)N2CCCCC2)CC1)Cc1ccc(F)cc1 ZINC001314864879 1071264996 /nfs/dbraw/zinc/26/49/96/1071264996.db2.gz VFPOSYKTXDFDAU-UHFFFAOYSA-N 0 3 499.679 3.866 20 0 JHADHN CCN(CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCC(S(=O)(=O)CC)CC1)C(C)C ZINC001313818710 1071269535 /nfs/dbraw/zinc/26/95/35/1071269535.db2.gz QHILEIGAFZWQDY-UHFFFAOYSA-N 0 3 482.094 3.656 20 0 JHADHN CCn1cc([C@@H]2CN(c3nnc(C(C)(C)C)n3C[C@H](c3cccs3)N(C)C)CCO2)cn1 ZINC001313833073 1071307388 /nfs/dbraw/zinc/30/73/88/1071307388.db2.gz QAPVGALWWZAEGC-MOPGFXCFSA-N 0 3 457.648 3.734 20 0 JHADHN CCn1cnnc1Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCN(CC(C)C)CC1 ZINC001313853725 1071351930 /nfs/dbraw/zinc/35/19/30/1071351930.db2.gz CHLLFJVPURLJRB-UHFFFAOYSA-N 0 3 450.635 3.680 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3cccc(OC(F)F)c3)n2C[C@H]2CC(F)(F)CO2)C[C@@H]1C ZINC001313858527 1071359257 /nfs/dbraw/zinc/35/92/57/1071359257.db2.gz BKLSNTLGTWEBRP-RLFYNMQTSA-N 0 3 471.499 3.890 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(-c3cc(F)ccc3Br)n2Cc2cnn(C)c2C)C[C@H]1C ZINC001313858353 1071359635 /nfs/dbraw/zinc/35/96/35/1071359635.db2.gz APUBNGJDOQQKGW-HUUCEWRRSA-N 0 3 490.425 3.856 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(-c3cc(OC)cc(OC)c3)n2Cc2nccn2C(F)F)C[C@@H]1C ZINC001313858533 1071359747 /nfs/dbraw/zinc/35/97/47/1071359747.db2.gz BLBYNGUFYUZYAD-JKSUJKDBSA-N 0 3 475.544 3.521 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(C(=O)N3CCCC3)n2Cc2cccc(C(C)(F)F)c2)C[C@H]1C ZINC001313857911 1071357082 /nfs/dbraw/zinc/35/70/82/1071357082.db2.gz DVXLMFVPEVECJX-QZTJIDSGSA-N 0 3 460.573 3.593 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(C(C)C)n2Cc2cccc(CN3CCO[C@@H](C)C3)c2)C[C@H]1C ZINC001313858751 1071361608 /nfs/dbraw/zinc/36/16/08/1071361608.db2.gz HURZHRAFVZNWFP-FSSWDIPSSA-N 0 3 454.663 3.589 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2Cc2csc(COC)n2)C[C@H]1C ZINC001313859013 1071362631 /nfs/dbraw/zinc/36/26/31/1071362631.db2.gz ITIFCORNJXNYMK-MOPGFXCFSA-N 0 3 497.669 3.717 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCN2CCOC[C@H]2C)C[C@H]1C ZINC001313859626 1071365578 /nfs/dbraw/zinc/36/55/78/1071365578.db2.gz HIHKDZMYNJWCHS-BHIFYINESA-N 0 3 468.690 3.882 20 0 JHADHN CN1CCC[C@H]1C(=O)N1CCN(c2nnc(C(C)(C)C)n2C[C@H]2C[C@@H](OC(C)(C)C)C2(C)C)CC1 ZINC001314924143 1071366470 /nfs/dbraw/zinc/36/64/70/1071366470.db2.gz LTFZJADZCNRVGQ-QHAWAJNXSA-N 0 3 488.721 3.548 20 0 JHADHN CCN1C[C@H](C)N(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CC(=O)NCC2CC2)C[C@H]1C ZINC001313860037 1071366794 /nfs/dbraw/zinc/36/67/94/1071366794.db2.gz IONRTSGHYGLDBL-SQNIBIBYSA-N 0 3 475.037 3.517 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2CC(C)(C)CC)C[C@@H]1C ZINC001313860198 1071368144 /nfs/dbraw/zinc/36/81/44/1071368144.db2.gz KJJFDFCPVMAXLI-RBUKOAKNSA-N 0 3 476.691 3.551 20 0 JHADHN CN1CCC[C@H]1C(=O)N1CCN(c2nnc(CC(C)(C)C)n2Cc2ccc(C(C)(F)F)cc2)CC1 ZINC001314925350 1071368441 /nfs/dbraw/zinc/36/84/41/1071368441.db2.gz XHLQETATAJJLOE-NRFANRHFSA-N 0 3 488.627 3.770 20 0 JHADHN CCN1C[C@H](C)N(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2C[C@H](F)COC)C[C@@H]1C ZINC001313860359 1071369223 /nfs/dbraw/zinc/36/92/23/1071369223.db2.gz JQVZVFFKUYMHJD-DWRORGKVSA-N 0 3 453.990 3.975 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCCSC)C[C@H]1C ZINC001313861267 1071373249 /nfs/dbraw/zinc/37/32/49/1071373249.db2.gz PSRQLTMYYCZMQL-IAGOWNOFSA-N 0 3 465.067 3.534 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(-c3nn(CC)c(=O)c4ccccc43)n2CCCCSC)C[C@H]1C ZINC001313861078 1071373392 /nfs/dbraw/zinc/37/33/92/1071373392.db2.gz BVNDXDKHCFKZHX-RTBURBONSA-N 0 3 483.686 3.737 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(-c3ccc(Cl)cc3OC)n2CCc2nnc(C)s2)C[C@H]1C ZINC001313862436 1071377451 /nfs/dbraw/zinc/37/74/51/1071377451.db2.gz AEUZBLGLQFYJDD-HUUCEWRRSA-N 0 3 476.050 3.929 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2C[C@@H]2CCCS2)C[C@H]1C ZINC001313861702 1071375320 /nfs/dbraw/zinc/37/53/20/1071375320.db2.gz QTNZUCFXLQIKGI-AOIWGVFYSA-N 0 3 475.659 3.785 20 0 JHADHN CCN1C[C@H](C)N(c2nnc([C@@H]3CCOC3)n2Cc2ccc(OCC(F)(F)F)cc2)C[C@@H]1C ZINC001313863791 1071383166 /nfs/dbraw/zinc/38/31/66/1071383166.db2.gz BAYOGSBANFXYNB-JENIJYKNSA-N 0 3 467.536 3.690 20 0 JHADHN CCN1C[C@H](C)N(c2nnc([C@H](C)OCCOC)n2Cc2c(F)cc(F)c(F)c2F)C[C@@H]1C ZINC001313863283 1071380568 /nfs/dbraw/zinc/38/05/68/1071380568.db2.gz SUMVBXQFAFSAAP-KKUMJFAQSA-N 0 3 473.515 3.526 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(-c3nn(C)c(=O)c4ccccc43)n2CC(C)(C)C(C)C)C[C@@H]1C ZINC001313863952 1071383979 /nfs/dbraw/zinc/38/39/79/1071383979.db2.gz KWRGPPWFSCIDGO-RBUKOAKNSA-N 0 3 465.646 3.793 20 0 JHADHN CCN1C[C@H](C)N(c2nnc([C@H](C)Oc3ccccc3F)n2CCCN2CCCCC2=O)C[C@@H]1C ZINC001313865148 1071391356 /nfs/dbraw/zinc/39/13/56/1071391356.db2.gz WKSMLLGENFWTOH-ACRUOGEOSA-N 0 3 486.636 3.879 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2Cc2occc2C)C[C@@H]1C ZINC001313865342 1071392149 /nfs/dbraw/zinc/39/21/49/1071392149.db2.gz ZCBQWKSTFNUVFV-ZWKOTPCHSA-N 0 3 471.005 3.730 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2CC2CCC(F)(F)CC2)C[C@@H]1C ZINC001313865376 1071392264 /nfs/dbraw/zinc/39/22/64/1071392264.db2.gz ZLEBVLAAIKCRDB-DLBZAZTESA-N 0 3 461.561 3.670 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(-c3ccc(OC)cc3OC)n2CCC(=O)N2CCCCCC2)C[C@H]1C ZINC001313866596 1071396202 /nfs/dbraw/zinc/39/62/02/1071396202.db2.gz KEMCXEFEPAURHS-NHCUHLMSSA-N 0 3 498.672 3.674 20 0 JHADHN CCN1C[C@H](C)N(c2nnc([C@@H](C)OCCOC)n2Cc2ccc3ncccc3c2)C[C@H]1C ZINC001313866396 1071396254 /nfs/dbraw/zinc/39/62/54/1071396254.db2.gz ZGWXKWHBRKPKPC-HSALFYBXSA-N 0 3 452.603 3.518 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(CCc3ccccc3)n2CCCNC(=O)OC(C)(C)C)C[C@H]1C ZINC001313867271 1071399878 /nfs/dbraw/zinc/39/98/78/1071399878.db2.gz IYFCQEKRTXAJOK-RTWAWAEBSA-N 0 3 470.662 3.897 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3cccnc3)n2CCCCNC(=O)OC(C)(C)C)C[C@H]1C ZINC001313868559 1071405662 /nfs/dbraw/zinc/40/56/62/1071405662.db2.gz BVIIBRAUSJRIKJ-MOPGFXCFSA-N 0 3 457.623 3.564 20 0 JHADHN CNC(=O)[C@@H](C)CN(C)c1nnc(-c2cc(C)nc3ccccc32)n1C[C@H](c1ccsc1)N(C)C ZINC001314948355 1071410940 /nfs/dbraw/zinc/41/09/40/1071410940.db2.gz NGDSZDXIEUOVRX-GAJHUEQPSA-N 0 3 491.665 3.984 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(CCCc3ccccc3)n2CCNC(=O)OC(C)(C)C)C[C@@H]1C ZINC001313869432 1071409252 /nfs/dbraw/zinc/40/92/52/1071409252.db2.gz PTABRAZMNJWWQL-SFTDATJTSA-N 0 3 470.662 3.897 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2Cc2ccoc2)C[C@@H]1C ZINC001313869507 1071409309 /nfs/dbraw/zinc/40/93/09/1071409309.db2.gz PIYMAAUXXHQPHM-OALUTQOASA-N 0 3 472.634 3.953 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@H]2OCCC2(C)C)C[C@H]1C ZINC001313869599 1071409420 /nfs/dbraw/zinc/40/94/20/1071409420.db2.gz QFALSEPPIFMJQN-KGVIQGDOSA-N 0 3 457.619 3.696 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(CCc3ccc(OC)cc3)n2CC(F)(F)Br)C[C@H]1C ZINC001313870678 1071415032 /nfs/dbraw/zinc/41/50/32/1071415032.db2.gz VMZBVDGVBHEBMR-HZPDHXFCSA-N 0 3 486.405 3.979 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(-c3ccccn3)n2CCCN(C)c2ccccc2F)C[C@H]1C ZINC001313870875 1071415913 /nfs/dbraw/zinc/41/59/13/1071415913.db2.gz FVROWLYCRHGCCS-WOJBJXKFSA-N 0 3 451.594 3.925 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(-c3ccc[nH]3)n2Cc2ccc(NC(=O)NC(C)C)cc2)C[C@H]1C ZINC001313871649 1071417362 /nfs/dbraw/zinc/41/73/62/1071417362.db2.gz GWBPVSXORZTZKQ-RTBURBONSA-N 0 3 464.618 3.770 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3ccc(OC)cc3OC)n2CCCc2nnc(C)s2)C[C@H]1C ZINC001313871580 1071417663 /nfs/dbraw/zinc/41/76/63/1071417663.db2.gz URSKZIZWGRVZSL-SJORKVTESA-N 0 3 485.658 3.674 20 0 JHADHN CCN1C[C@H](C)N(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2Cc2cc(C)no2)C[C@H]1C ZINC001313871873 1071419080 /nfs/dbraw/zinc/41/90/80/1071419080.db2.gz UMGIIKBCIWOPQZ-HSALFYBXSA-N 0 3 487.649 3.656 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3ccccn3)n2CCc2nc(C(F)(F)F)cs2)C[C@@H]1C ZINC001313872197 1071419769 /nfs/dbraw/zinc/41/97/69/1071419769.db2.gz JIUAHHKANWQCQA-GJZGRUSLSA-N 0 3 465.549 3.977 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(Cc3ccc(Cl)cc3)n2CCSCCCO)C[C@H]1C ZINC001313871677 1071417422 /nfs/dbraw/zinc/41/74/22/1071417422.db2.gz GYDXCBMWUFPLDT-QZTJIDSGSA-N 0 3 452.068 3.557 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3ccc(OC)c(OC)c3)n2CC(C)(C)CCOC)C[C@H]1C ZINC001313873434 1071424636 /nfs/dbraw/zinc/42/46/36/1071424636.db2.gz ZTLKEBQUMIFSOU-MOPGFXCFSA-N 0 3 459.635 3.944 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(Cc3ccc(Cl)cc3)n2CCCc2cnn(C)c2)C[C@H]1C ZINC001313873735 1071426509 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CC[C@@H]1CCCCN1CCn1c(-c2cc(C)nc3ccccc32)nnc1N(C)[C@@H](C)CS(C)(=O)=O ZINC001306316296 1068735562 /nfs/dbraw/zinc/73/55/62/1068735562.db2.gz DZAQZQBMPPZVCI-LEWJYISDSA-N 0 3 498.697 3.936 20 0 JHADHN CC[C@@H]1CCCN(c2nnc(Cc3ccccc3C)n2CCCN2CCC[C@H]2C(=O)N(C)C)C1 ZINC001306334556 1068772147 /nfs/dbraw/zinc/77/21/47/1068772147.db2.gz DHOIXJDLRHFFMZ-VWNXMTODSA-N 0 3 466.674 3.746 20 0 JHADHN CC[C@@H]1CCCN1c1nnc([C@@H](C)Oc2ccccc2F)n1CCCN1CCN(CC)CC1 ZINC001306343536 1068780209 /nfs/dbraw/zinc/78/02/09/1068780209.db2.gz VIUFDARKMRKXRS-NHCUHLMSSA-N 0 3 458.626 3.964 20 0 JHADHN C[C@@H](CNC(=O)c1csc(I)c1Br)N1CCCCC1 ZINC001306423337 1068916530 /nfs/dbraw/zinc/91/65/30/1068916530.db2.gz XNUGPEAQBZRCOJ-VIFPVBQESA-N 0 3 457.175 3.719 20 0 JHADHN CC[C@@H]1CN(c2nnc(CC(C)C)n2CCN2CC=CCC2)CC[C@H]1NC(=O)OC(C)(C)C ZINC001306441390 1068949574 /nfs/dbraw/zinc/94/95/74/1068949574.db2.gz RPVQWQKVDXVGBW-NHCUHLMSSA-N 0 3 460.667 3.868 20 0 JHADHN CC[C@@H]1CN(c2nnc(CCOc3ccccc3)n2C[C@H](c2cccs2)N(C)C)CCO1 ZINC001306445882 1068959102 /nfs/dbraw/zinc/95/91/02/1068959102.db2.gz AXXLNJSDUOBOBR-TZIWHRDSSA-N 0 3 455.628 3.879 20 0 JHADHN CC[C@@H]1CN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCN(C)Cc2ccccc2)CCO1 ZINC001306463949 1069000115 /nfs/dbraw/zinc/00/01/15/1069000115.db2.gz KMFKNVDAQDQJPG-XPWALMASSA-N 0 3 498.672 3.796 20 0 JHADHN CC[C@@H]1CN(c2nnc([C@H]3OCC[C@H]3COC)n2CCN(C)Cc2ccc(F)cc2)CCS1 ZINC001306466699 1069005943 /nfs/dbraw/zinc/00/59/43/1069005943.db2.gz PDGQOXGKTJWJOH-NNWRFLSQSA-N 0 3 477.650 3.605 20 0 JHADHN CC/C=C\Cn1c(-c2ccc3c(c2)OCCO3)nnc1N1CCN(CCOC)[C@H](CCC)C1 ZINC001306471240 1069014715 /nfs/dbraw/zinc/01/47/15/1069014715.db2.gz SMZGCYQGSDTHMB-IZRJCCQOSA-N 0 3 455.603 3.620 20 0 JHADHN COc1ccc([C@@H](NC(C)C)C(=O)NCc2cc(OC)c(OC)cc2Br)cc1 ZINC001306491783 1069030353 /nfs/dbraw/zinc/03/03/53/1069030353.db2.gz XWNVGZGPZNOBGA-HXUWFJFHSA-N 0 3 451.361 3.830 20 0 JHADHN CC[C@H](CNC(=O)Nc1ccc2c(c1)CCC(=O)N2CCOC)N1CCc2ccccc2C1 ZINC001310606437 1069048554 /nfs/dbraw/zinc/04/85/54/1069048554.db2.gz UBDXYUNGWMGKEE-HSZRJFAPSA-N 0 3 450.583 3.571 20 0 JHADHN COC(=O)c1cccc(NC(=O)NC[C@@H]2CN(Cc3ccccc3)CCCO2)c1OC(C)C ZINC001310622794 1069064696 /nfs/dbraw/zinc/06/46/96/1069064696.db2.gz CDSDUFOKLJYILA-HXUWFJFHSA-N 0 3 455.555 3.673 20 0 JHADHN CCCC(=O)NC[C@H]1CCCN(c2nnc(C(C)C)n2C[C@@H](c2cccc(F)c2)N(C)C)C1 ZINC001306515447 1069118114 /nfs/dbraw/zinc/11/81/14/1069118114.db2.gz QRJRSJUWAMLJDL-KNQAVFIVSA-N 0 3 458.626 3.976 20 0 JHADHN COc1cccc(CN(CCN(C)C)C(=O)Nc2ccc3nccnc3c2Br)c1 ZINC001310715463 1069130242 /nfs/dbraw/zinc/13/02/42/1069130242.db2.gz QGIGSZLGSUUCKA-UHFFFAOYSA-N 0 3 458.360 3.997 20 0 JHADHN Cc1nc(NC(=O)N[C@@H](C)CCN2CCN(C)CC2)sc1Cc1ccc(F)c(F)c1F ZINC001310738264 1069143118 /nfs/dbraw/zinc/14/31/18/1069143118.db2.gz UTJPBNPBPNNAHL-ZDUSSCGKSA-N 0 3 455.550 3.607 20 0 JHADHN Cc1nc(NC(=O)N2CC[C@H]3[C@@H]2CCCN3CCO)sc1Cc1cccc(Cl)c1F ZINC001310740970 1069143823 /nfs/dbraw/zinc/14/38/23/1069143823.db2.gz AMYSVKSPDGIRTD-IRXDYDNUSA-N 0 3 452.983 3.898 20 0 JHADHN CCC[C@@](C)(O)Cn1c(-c2ccc(CC)cc2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC001306531912 1069172970 /nfs/dbraw/zinc/17/29/70/1069172970.db2.gz WSHDZDNTPYNHKB-SHQCIBLASA-N 0 3 468.690 3.663 20 0 JHADHN CCC[C@H](C)N(C)c1nnc(-c2noc3c2COCC3)n1C[C@H](c1cccc(OC)c1)N(C)C ZINC001306577738 1069243371 /nfs/dbraw/zinc/24/33/71/1069243371.db2.gz RHBJOVYBQXAEMB-LAUBAEHRSA-N 0 3 468.602 3.942 20 0 JHADHN COC(=O)[C@@H]1C[C@H]1c1ccc(NC(=O)NCCCCN2CCN(Cc3ccccc3)CC2)cc1 ZINC001311082554 1069267335 /nfs/dbraw/zinc/26/73/35/1069267335.db2.gz DOIHFMAKSGPENU-LOSJGSFVSA-N 0 3 464.610 3.683 20 0 JHADHN COC(=O)c1cc(NC(=O)N[C@H]2CN(Cc3ccccc3)C[C@@H]2C)c(Cl)cc1NC(C)=O ZINC001311191814 1069294008 /nfs/dbraw/zinc/29/40/08/1069294008.db2.gz ZDBORTJSSQPYDG-QKKBWIMNSA-N 0 3 458.946 3.727 20 0 JHADHN O=C(NCCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1)Nc1ccc(CO)cc1 ZINC001311225095 1069302053 /nfs/dbraw/zinc/30/20/53/1069302053.db2.gz JFQJWCKFYBXMCT-UHFFFAOYSA-N 0 3 450.505 3.922 20 0 JHADHN Cc1c(NC(=O)NCCCCN2CCN(C)CC2)cc(Br)cc1C(F)(F)F ZINC001311231360 1069303218 /nfs/dbraw/zinc/30/32/18/1069303218.db2.gz FLUQMQHKMCIYKB-UHFFFAOYSA-N 0 3 451.331 3.925 20 0 JHADHN CCC[C@@H]1CN(c2nnc(C(C)(C)C)n2CCCN(C)C(=O)OC(C)(C)C)CCN1CCOC ZINC001306620045 1069305083 /nfs/dbraw/zinc/30/50/83/1069305083.db2.gz WUKMBTBVGNFQIO-HXUWFJFHSA-N 0 3 480.698 3.770 20 0 JHADHN CCC[C@@H]1CN(c2nnc(-c3cnccn3)n2[C@@H]2CCC[C@@H](C(F)(F)F)C2)CCN1CCOC ZINC001306619822 1069305180 /nfs/dbraw/zinc/30/51/80/1069305180.db2.gz BVRMZIFNPIBILQ-GUDVDZBRSA-N 0 3 481.567 3.966 20 0 JHADHN CCC[C@@H]1CN(c2nnc(-c3ccc(CC)cc3)n2C[C@@H](C)N2CCN(CC)CC2)CCO1 ZINC001306620609 1069307546 /nfs/dbraw/zinc/30/75/46/1069307546.db2.gz QVTRCLPZQSCKII-ZJSXRUAMSA-N 0 3 454.663 3.539 20 0 JHADHN CCC[C@H]1CN(c2nnc(-c3cccn3C)n2Cc2ccc(OC)c(Cl)c2)CCN1CCOC ZINC001306620920 1069308142 /nfs/dbraw/zinc/30/81/42/1069308142.db2.gz KWUIJNSZPKFRTA-FQEVSTJZSA-N 0 3 487.048 3.931 20 0 JHADHN CCOC(=O)C1CCN(C2CCN(C(F)(F)Cc3nc4c(ncnc4Cl)s3)CC2)CC1 ZINC001164616494 719035758 /nfs/dbraw/zinc/03/57/58/719035758.db2.gz DNPZXUUOQXMFNG-UHFFFAOYSA-N 0 3 473.977 3.615 20 0 JHADHN CN(Cc1ccc(N2CC[C@]3(C2)c2ccccc2S(=O)(=O)N3Cc2ccccc2)nc1)C1CC1 ZINC001164654931 719322801 /nfs/dbraw/zinc/32/28/01/719322801.db2.gz TTYWGDKOCWTXBQ-MHZLTWQESA-N 0 3 474.630 3.986 20 0 JHADHN CC(C)N(C)Cc1nn(C(F)(F)Oc2cccc(COc3cncc(Cl)n3)c2)c2c1CCNC2 ZINC001164682843 719650321 /nfs/dbraw/zinc/65/03/21/719650321.db2.gz TVKHIVUSNZJUMC-UHFFFAOYSA-N 0 3 492.958 3.977 20 0 JHADHN CCOC(=O)c1cc2ccc(N3CCC4(C[C@@H](COC)[N@H+](Cc5ccccn5)C4)CC3)nc2[n-]1 ZINC001164710864 720130053 /nfs/dbraw/zinc/13/00/53/720130053.db2.gz FEYBOYOYMXRFOG-NRFANRHFSA-N 0 3 463.582 3.642 20 0 JHADHN CCOC(=O)c1cc2ccc(N3CCC4(C[C@@H](COC)[N@@H+](Cc5ccccn5)C4)CC3)nc2[n-]1 ZINC001164710864 720130055 /nfs/dbraw/zinc/13/00/55/720130055.db2.gz FEYBOYOYMXRFOG-NRFANRHFSA-N 0 3 463.582 3.642 20 0 JHADHN O=C(NCCSCc1ccco1)c1cccnc1N1CC[C@@H]2[C@H]1CCN2Cc1cccnc1 ZINC001164721809 720407025 /nfs/dbraw/zinc/40/70/25/720407025.db2.gz BGVYIZAXSIVAOH-DHIUTWEWSA-N 0 3 463.607 3.586 20 0 JHADHN COc1ccc(-c2nc3ccc(F)cc3c(N3CCN4C[C@@H](Oc5cncnc5)C[C@@H]4C3)n2)cc1 ZINC001164740122 720661271 /nfs/dbraw/zinc/66/12/71/720661271.db2.gz QGEOQKVVXSSECW-CTNGQTDRSA-N 0 3 472.524 3.576 20 0 JHADHN CCOC(=O)c1ccc(C(F)(F)N2CCCn3cnc(CNC4CCC4)c3C2)c(Cl)n1 ZINC001164838856 720738794 /nfs/dbraw/zinc/73/87/94/720738794.db2.gz YNHRLDPNPGRPJM-UHFFFAOYSA-N 0 3 453.921 3.706 20 0 JHADHN FC(F)(c1cc(Cl)nc(-c2ccncc2)n1)N1CCCn2cnc(CNC3CCC3)c2C1 ZINC001164838060 720738928 /nfs/dbraw/zinc/73/89/28/720738928.db2.gz QPHCQJNDDUARIQ-UHFFFAOYSA-N 0 3 459.932 3.986 20 0 JHADHN CSCc1nc2sc3c(c2c(N2CCN4C[C@@H](Oc5cncnc5)C[C@H]4C2)n1)CCCC3 ZINC001164742229 720765265 /nfs/dbraw/zinc/76/52/65/720765265.db2.gz NRMNSHUWLASROT-HOTGVXAUSA-N 0 3 468.652 3.565 20 0 JHADHN COc1cc2c(cc1OCc1ccccc1)ncnc2N1C[C@H]2CCN(Cc3cnn(C)c3)C[C@H]2C1 ZINC001164764324 721091679 /nfs/dbraw/zinc/09/16/79/721091679.db2.gz 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3.976 20 0 JHADHN Fc1cccc(O[C@@H]2C[C@H]3CN(c4ncnc5c4CCN(Cc4ccccc4)C5)CCN3C2)c1 ZINC001164908104 721529394 /nfs/dbraw/zinc/52/93/94/721529394.db2.gz ORWNGLDDXZHQKP-LADGPHEKSA-N 0 3 459.569 3.516 20 0 JHADHN O=C(c1cccnc1N1CCN2C[C@H](Oc3cccc(F)c3)C[C@H]2C1)N1CCc2ccccc21 ZINC001164909279 721552941 /nfs/dbraw/zinc/55/29/41/721552941.db2.gz UDKUJJFFYPEFAF-JTHBVZDNSA-N 0 3 458.537 3.766 20 0 JHADHN COc1cc2ncnc(N3CCC(F)(F)[C@@]4(CCN(Cc5ccccn5)C4)C3)c2c(OC)c1 ZINC001164906222 721710155 /nfs/dbraw/zinc/71/01/55/721710155.db2.gz LCYWNTMPAXYCES-HSZRJFAPSA-N 0 3 455.509 3.780 20 0 JHADHN FC(F)(c1nc(Cl)ncc1Cl)N1CCC2(CC1)COCCN(Cc1ccncc1)C2 ZINC001164958702 722054163 /nfs/dbraw/zinc/05/41/63/722054163.db2.gz FHOBNMHGJJUYNS-UHFFFAOYSA-N 0 3 458.340 3.842 20 0 JHADHN FC(F)(c1ccc2nc(Cl)cnc2c1)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164980439 722112778 /nfs/dbraw/zinc/11/27/78/722112778.db2.gz RETKICKQCOUNAQ-LAUBAEHRSA-N 0 3 459.928 3.950 20 0 JHADHN c1ccc2c(c1)nc(-c1cccnc1)nc2N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164981718 722139488 /nfs/dbraw/zinc/13/94/88/722139488.db2.gz QEWJPVWPBVMQCR-RDGATRHJSA-N 0 3 452.562 3.814 20 0 JHADHN c1csc(-c2noc(-c3ccnc(N4CC[C@H]5CN(Cc6cccnc6)CCO[C@@H]5C4)c3)n2)c1 ZINC001164985435 722149289 /nfs/dbraw/zinc/14/92/89/722149289.db2.gz ZLYIWKWXIJEINP-LEWJYISDSA-N 0 3 474.590 3.982 20 0 JHADHN c1csc(-c2noc(-c3ccnc(N4CC[C@H]5CN(Cc6cccnc6)CCO[C@H]5C4)c3)n2)c1 ZINC001164985441 722149482 /nfs/dbraw/zinc/14/94/82/722149482.db2.gz ZLYIWKWXIJEINP-SFTDATJTSA-N 0 3 474.590 3.982 20 0 JHADHN Clc1cccc(COc2cncc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)n2)c1 ZINC001164976244 722153946 /nfs/dbraw/zinc/15/39/46/722153946.db2.gz VSWYMMQFGGYQMI-JTHBVZDNSA-N 0 3 465.985 3.831 20 0 JHADHN CC1CCN([C@H](CNC(=O)Nc2cc(=O)n(C)cc2Br)c2cccs2)CC1 ZINC001311282861 1069315702 /nfs/dbraw/zinc/31/57/02/1069315702.db2.gz WOECLAGKCRHSIX-MRXNPFEDSA-N 0 3 453.406 3.804 20 0 JHADHN CCC[C@H]1CN(c2nnc(CC)n2C[C@@H]2CC3(CC3)CN2C(=O)OC(C)(C)C)CCN1CCOC ZINC001306626143 1069320619 /nfs/dbraw/zinc/32/06/19/1069320619.db2.gz CVIKFBHNMUWAOX-SFTDATJTSA-N 0 3 490.693 3.567 20 0 JHADHN CCC[C@@H]1CN(c2nnc(Cc3ccc(Cl)cc3)n2CCCN2CCN(CC)CC2)CCO1 ZINC001306626900 1069322905 /nfs/dbraw/zinc/32/29/05/1069322905.db2.gz NYRDXSRZADIOBF-HSZRJFAPSA-N 0 3 475.081 3.555 20 0 JHADHN CCC[C@@H]1CN(c2nnc(CC(C)(C)C)n2C[C@@H]2CCC[C@]3(CCOC3)O2)CCN1CCOC ZINC001306628097 1069325687 /nfs/dbraw/zinc/32/56/87/1069325687.db2.gz DEBARKCXXHYXTH-TVZXLZGTSA-N 0 3 477.694 3.532 20 0 JHADHN CCC[C@H]1CN(c2nnc(Cc3csc(C)n3)n2C[C@H](c2cccc(OC)c2)N(C)C)CCO1 ZINC001306629343 1069328370 /nfs/dbraw/zinc/32/83/70/1069328370.db2.gz PFIHSSMQRFCYJW-XZOQPEGZSA-N 0 3 484.670 3.951 20 0 JHADHN CCCCCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCN(C2CCOCC2)C[C@H]1C ZINC001306640639 1069351399 /nfs/dbraw/zinc/35/13/99/1069351399.db2.gz YCJYCBXZUNSWPM-LJQANCHMSA-N 0 3 489.064 3.741 20 0 JHADHN Cc1cccc(N2CCN(CCCCNC(=O)N3C[C@H](C)O[C@@H](CC(F)(F)F)C3)CC2)c1 ZINC001311381742 1069354595 /nfs/dbraw/zinc/35/45/95/1069354595.db2.gz UCWHUKAMDVJSMN-FPOVZHCZSA-N 0 3 456.553 3.649 20 0 JHADHN CC[C@H](CNC(=O)NC[C@@H](c1ccc(C)cc1)N1CCOCC1)N1CCc2ccccc2C1 ZINC001311394377 1069359525 /nfs/dbraw/zinc/35/95/25/1069359525.db2.gz BIWLXSCPRBFAOI-FTJBHMTQSA-N 0 3 450.627 3.504 20 0 JHADHN CC(C)Oc1ccc([C@@H](CNC(=O)N[C@H](CN2CCCC2=O)c2ccccc2)N(C)C)cc1 ZINC001311405552 1069364713 /nfs/dbraw/zinc/36/47/13/1069364713.db2.gz QAMVBZOEGIVXDL-DNQXCXABSA-N 0 3 452.599 3.739 20 0 JHADHN CCN(CC)[C@H](CNC(=O)N[C@H]1CCN(c2ccc(Cl)cc2)C1=O)c1cccc(OC)c1 ZINC001311470596 1069393905 /nfs/dbraw/zinc/39/39/05/1069393905.db2.gz REYLDUBFNCDHQD-FCHUYYIVSA-N 0 3 458.990 3.836 20 0 JHADHN C[C@H](NC(=O)NC(C)(C)CCN1CCN(C)CC1)c1cccc(NC(=O)c2ccccc2)c1 ZINC001311482737 1069398567 /nfs/dbraw/zinc/39/85/67/1069398567.db2.gz OAUQKZSTXMDKQQ-FQEVSTJZSA-N 0 3 451.615 3.715 20 0 JHADHN CCCCN(CC)c1nnc(-c2cnn(C)c2)n1C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC001306691834 1069429028 /nfs/dbraw/zinc/42/90/28/1069429028.db2.gz MSEJWLBGKJDXJQ-HSZRJFAPSA-N 0 3 451.619 3.596 20 0 JHADHN CCCCn1c([C@H](C)Oc2cccc(Cl)c2)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001306701567 1069436924 /nfs/dbraw/zinc/43/69/24/1069436924.db2.gz SIVQEBMUJUTLIG-GHTZIAJQSA-N 0 3 475.037 3.614 20 0 JHADHN CC1CCN([C@@H](CNC(=O)N2CCN(CC(F)(F)C(F)F)CC2)c2cccs2)CC1 ZINC001311572726 1069444409 /nfs/dbraw/zinc/44/44/09/1069444409.db2.gz NWDQMISRHCRNJZ-INIZCTEOSA-N 0 3 450.546 3.749 20 0 JHADHN CCCCN1CCCC[C@H]1Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N(C)CC1CC1 ZINC001306721577 1069458398 /nfs/dbraw/zinc/45/83/98/1069458398.db2.gz BVPAGKQQKIKIKM-NRFANRHFSA-N 0 3 459.660 3.849 20 0 JHADHN CC(C)C[C@@H]1CN(CCCc2ccccc2)CCN1C(=O)NCc1nnc2n1CCCCC2 ZINC001311605350 1069459022 /nfs/dbraw/zinc/45/90/22/1069459022.db2.gz PLXIZCJEWDFIPX-HSZRJFAPSA-N 0 3 452.647 3.879 20 0 JHADHN CC[C@H](NC(=O)N1CCN(C2CCC(C(C)C)CC2)CC1)c1ccccc1OCC(=O)NC ZINC001311611690 1069463495 /nfs/dbraw/zinc/46/34/95/1069463495.db2.gz LRKYGZSZCZNMTB-BBHUYCHWSA-N 0 3 458.647 3.805 20 0 JHADHN CCCCN1CCCC[C@@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N(C)[C@@H](C)CS(C)(=O)=O ZINC001306724689 1069465731 /nfs/dbraw/zinc/46/57/31/1069465731.db2.gz ZCARKZYVXGQUPT-PKOBYXMFSA-N 0 3 483.082 3.517 20 0 JHADHN CCc1ccc2c(c1)[C@H](NC(=O)NCCCCN1CCN(Cc3ccccc3)CC1)CCO2 ZINC001311629622 1069478337 /nfs/dbraw/zinc/47/83/37/1069478337.db2.gz GTNKSRUGVLYHJF-RUZDIDTESA-N 0 3 450.627 3.970 20 0 JHADHN CCCCNC(=O)[C@H]1CC[C@H](C)N(c2nnc(C)n2CCCN2CCc3ccccc3C2)C1 ZINC001306733385 1069492782 /nfs/dbraw/zinc/49/27/82/1069492782.db2.gz WEOZDFCUKRONBK-RDPSFJRHSA-N 0 3 452.647 3.556 20 0 JHADHN CC[C@H]1CN(C(=O)NCc2cccc(CN3CCO[C@@H](C)C3)c2)CCN1Cc1ccccc1 ZINC001311667311 1069495671 /nfs/dbraw/zinc/49/56/71/1069495671.db2.gz SAGRVACQBIMPLP-NVQXNPDNSA-N 0 3 450.627 3.713 20 0 JHADHN CCN1CCN(C[C@H](C)CNC(=O)NCc2nc(-c3ccc(Cl)cc3)c(C)s2)CC1 ZINC001311688773 1069504015 /nfs/dbraw/zinc/50/40/15/1069504015.db2.gz DFIGQAPMFDCLMU-MRXNPFEDSA-N 0 3 450.052 3.845 20 0 JHADHN CCN(CC)[C@@H](CNC(=O)N1CC[C@@H](CN2CCCC2=O)C1)c1ccc(C(F)(F)F)cc1 ZINC001311719619 1069518442 /nfs/dbraw/zinc/51/84/42/1069518442.db2.gz WQBXNKVNDJBJLN-PXNSSMCTSA-N 0 3 454.537 3.742 20 0 JHADHN COC(=O)c1cnc([C@H]2CCCN(C(=O)NC[C@@H](c3ccc(C)cc3)N3CCCC3)C2)s1 ZINC001311764187 1069537824 /nfs/dbraw/zinc/53/78/24/1069537824.db2.gz DXLRJBZXGXKMJX-PMACEKPBSA-N 0 3 456.612 3.964 20 0 JHADHN CCCCOCCCn1c(-c2ccccc2Cl)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001306750330 1069544646 /nfs/dbraw/zinc/54/46/46/1069544646.db2.gz CFLDJOFQJTYOIL-QFIPXVFZSA-N 0 3 489.064 3.548 20 0 JHADHN CCc1nc(CN2CCC(CNC(=O)NC[C@H](C)N3CCc4ccccc4C3)CC2)cs1 ZINC001311789810 1069545888 /nfs/dbraw/zinc/54/58/88/1069545888.db2.gz BCNQKYSRVMQBAT-IBGZPJMESA-N 0 3 455.672 3.664 20 0 JHADHN COc1ccccc1N1CC[C@@H](CNC(=O)NC[C@H](c2ccc(OC(C)C)cc2)N(C)C)C1 ZINC001311827917 1069564997 /nfs/dbraw/zinc/56/49/97/1069564997.db2.gz DYMJJCXRQKYBKR-GBXCKJPGSA-N 0 3 454.615 3.911 20 0 JHADHN C[C@@H](CC(=O)Nc1cccc(N2CCCC2)c1)NC(=O)N[C@H](CN(C)C)c1ccc(F)cc1 ZINC001311849021 1069578549 /nfs/dbraw/zinc/57/85/49/1069578549.db2.gz YFKKEYIAQKFJJM-FDDCHVKYSA-N 0 3 455.578 3.745 20 0 JHADHN CC[C@H](C)N[C@@H](CNC(=O)NCc1cc(OC)c(OC)cc1Br)c1ccco1 ZINC001311858849 1069584403 /nfs/dbraw/zinc/58/44/03/1069584403.db2.gz SRJZGCLTBLUQFC-BBRMVZONSA-N 0 3 454.365 3.988 20 0 JHADHN CCCN(CC)CCn1c(-c2cc3c(s2)CC[C@@H](C)C3)nnc1N1CCC[C@H](S(C)(=O)=O)C1 ZINC001306802149 1069608121 /nfs/dbraw/zinc/60/81/21/1069608121.db2.gz GMOLXPRMIHBLEC-QUCCMNQESA-N 0 3 493.743 3.877 20 0 JHADHN CC(C)(C)[C@@H](COc1ccccc1F)NC(=O)NCC1(O)CCN(Cc2ccccc2)CC1 ZINC001311938140 1069621917 /nfs/dbraw/zinc/62/19/17/1069621917.db2.gz GRUVDFBJVHYVDG-HSZRJFAPSA-N 0 3 457.590 3.946 20 0 JHADHN Cc1cc(NC(=O)CN2C(=S)N=NC2c2cccs2)cc(N2CCN(C(C)C)CC2)c1 ZINC001306826954 1069646333 /nfs/dbraw/zinc/64/63/33/1069646333.db2.gz QNRKLYGRKQKPSD-UHFFFAOYSA-N 0 3 456.641 3.773 20 0 JHADHN C[C@H](CNC(=O)NCCCCSc1ccccc1Br)CN1CCN(C)CC1 ZINC001311975330 1069646513 /nfs/dbraw/zinc/64/65/13/1069646513.db2.gz IYYUIUBAMYRLQO-QGZVFWFLSA-N 0 3 457.482 3.504 20 0 JHADHN CCOc1ccc(-c2nnc(N(C)[C@H]3CCOC3)n2C[C@@H](c2ccsc2)N(C)C)cc1OC ZINC001314165276 1069661485 /nfs/dbraw/zinc/66/14/85/1069661485.db2.gz YGPNULXYIJJJOZ-PMACEKPBSA-N 0 3 471.627 3.942 20 0 JHADHN O=C(NCCCC(=O)N1Cc2ccccc2C1)NCCNC(c1ccccc1)c1ccccc1 ZINC001312015110 1069671482 /nfs/dbraw/zinc/67/14/82/1069671482.db2.gz SBPNVENDMUPRAT-UHFFFAOYSA-N 0 3 456.590 3.987 20 0 JHADHN CCOc1ccc(-c2nnc(N3C[C@@H](C)N(CC)C[C@@H]3C)n2CCc2nnc(C)s2)cc1OC ZINC001314169140 1069675576 /nfs/dbraw/zinc/67/55/76/1069675576.db2.gz UGQBEVUZYQZPKE-SJORKVTESA-N 0 3 485.658 3.674 20 0 JHADHN CN(CCN1CCN(C(=O)NCCOc2cccc(C(C)(C)C)c2)CC1)Cc1ccccc1 ZINC001312024856 1069677613 /nfs/dbraw/zinc/67/76/13/1069677613.db2.gz QHXSPVGMWXMGFX-UHFFFAOYSA-N 0 3 452.643 3.822 20 0 JHADHN CCOc1ccc(-c2nnc(N3CCN(C(=O)[C@@H]4CCCN4C)CC3)n2CCCC(C)C)cc1OC ZINC001314174341 1069697485 /nfs/dbraw/zinc/69/74/85/1069697485.db2.gz QNXIEQORPMWITD-QFIPXVFZSA-N 0 3 498.672 3.531 20 0 JHADHN CCCN(CCn1c(Cc2cccnc2)nnc1N1C[C@@H](C)N(CC)C[C@H]1C)C(=O)OC(C)(C)C ZINC001307013862 1069718859 /nfs/dbraw/zinc/71/88/59/1069718859.db2.gz RDMVKGRCXSCRRM-NHCUHLMSSA-N 0 3 485.677 3.830 20 0 JHADHN CCCn1c(-c2ccc(Br)s2)nnc1N1C[C@@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 ZINC001307017930 1069726980 /nfs/dbraw/zinc/72/69/80/1069726980.db2.gz DGKPYGSLCBVDAK-NVXWUHKLSA-N 0 3 495.491 3.558 20 0 JHADHN CCN(Cc1nc2c(s1)C[C@H](C)CC2)C(=O)NCc1ccccc1CN1CCC(O)CC1 ZINC001312203611 1069778296 /nfs/dbraw/zinc/77/82/96/1069778296.db2.gz CMZZESXKJLVQHB-GOSISDBHSA-N 0 3 456.656 3.956 20 0 JHADHN CCOc1ccc(O[C@H](C)c2nnc(N3CCN(C4CCOCC4)C[C@@H]3C)n2C[C@H](C)OC)cc1 ZINC001314197195 1069779006 /nfs/dbraw/zinc/77/90/06/1069779006.db2.gz KLELOHZEBYINBR-PCCBWWKXSA-N 0 3 487.645 3.541 20 0 JHADHN CCOc1ccc(O[C@@H](C)c2nnc(N3CCN(C4CCC(C)CC4)CC3)n2CCC(=O)NC)cc1 ZINC001314197198 1069779198 /nfs/dbraw/zinc/77/91/98/1069779198.db2.gz KLWDEDNQEIGAPQ-ORFBVSJDSA-N 0 3 498.672 3.654 20 0 JHADHN C[C@H](NC(=O)NCc1ccccc1CN1CCC(O)CC1)c1ccc(-n2cccn2)c(F)c1 ZINC001312207403 1069782597 /nfs/dbraw/zinc/78/25/97/1069782597.db2.gz YOTOJVOFJLEVDT-SFHVURJKSA-N 0 3 451.546 3.529 20 0 JHADHN COc1ccccc1NC(=O)[C@@H]1CCCN(C(=O)N[C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)C1 ZINC001312253748 1069811471 /nfs/dbraw/zinc/81/14/71/1069811471.db2.gz LYJLKGKPCNCHBB-CEMLEFRQSA-N 0 3 450.583 3.718 20 0 JHADHN CCCN1CCCC[C@H]1Cn1c([C@@H]2CCCOC2)nnc1N1CCC(C(=O)C(F)(F)F)CC1 ZINC001307058990 1069841314 /nfs/dbraw/zinc/84/13/14/1069841314.db2.gz RRHBKFXPJASJCZ-MOPGFXCFSA-N 0 3 471.568 3.784 20 0 JHADHN CCOc1ccccc1Cn1c([C@H](C)CC)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC001314214219 1069842880 /nfs/dbraw/zinc/84/28/80/1069842880.db2.gz STXXXCGGJHMDNF-GGAORHGYSA-N 0 3 454.663 3.843 20 0 JHADHN CC(C)Oc1cccc(-c2nnc(SC[C@H]3CN(Cc4ccccc4)CCCO3)n2N)c1 ZINC001307315136 1069942332 /nfs/dbraw/zinc/94/23/32/1069942332.db2.gz JDPBWBOMXOEBRE-JOCHJYFZSA-N 0 3 453.612 3.829 20 0 JHADHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N1C[C@@H](CC(=O)N(C)C)c2cc(Cl)ccc21 ZINC001312454429 1069947650 /nfs/dbraw/zinc/94/76/50/1069947650.db2.gz BDTNSONLDCPRPU-SFGWALBWSA-N 0 3 455.002 3.952 20 0 JHADHN CCO[C@H]1C[C@H](N(C)c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCN2CCCC2)C1(C)C ZINC001314247512 1069967059 /nfs/dbraw/zinc/96/70/59/1069967059.db2.gz WGQTWMSDZYKZAK-SFTDATJTSA-N 0 3 489.064 3.597 20 0 JHADHN CCO[C@@H]1C[C@@H](N(C)c2nnc(-c3cnn(C)c3)n2C[C@@H](c2cccc(F)c2)N(C)C)C1(C)C ZINC001314256714 1069992852 /nfs/dbraw/zinc/99/28/52/1069992852.db2.gz LTCWKDDASKDGHJ-BHDDXSALSA-N 0 3 469.609 3.760 20 0 JHADHN CSc1ccc([C@@H](CNC(=O)N[C@@H](Cn2ccccc2=O)c2ccccc2)N(C)C)cc1 ZINC001312585100 1070029663 /nfs/dbraw/zinc/02/96/63/1070029663.db2.gz DNIFSZNDXHCMSM-XZOQPEGZSA-N 0 3 450.608 3.914 20 0 JHADHN O=C(CCN1CCCN(C(=O)CCc2ccccc2)CC1)Nc1ccc(Br)cc1 ZINC001307519812 1070030433 /nfs/dbraw/zinc/03/04/33/1070030433.db2.gz IUXWOSDODDRUTE-UHFFFAOYSA-N 0 3 458.400 3.945 20 0 JHADHN CCO[C@H]1CCCN(c2nnc(Cn3nc(C)cc3C)n2C[C@H](c2ccc(C)cc2)N(C)C)C1 ZINC001314274302 1070030911 /nfs/dbraw/zinc/03/09/11/1070030911.db2.gz HEDSFTGOODWVCA-BJKOFHAPSA-N 0 3 465.646 3.756 20 0 JHADHN CN(C)C[C@H](NC(=O)NCc1cc(Cl)ccc1N1CCOCC1)c1ccc(Cl)cc1 ZINC001312596186 1070035422 /nfs/dbraw/zinc/03/54/22/1070035422.db2.gz XIHXCGPCSDWFFX-FQEVSTJZSA-N 0 3 451.398 3.932 20 0 JHADHN CCOCC(C)(C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CCN(CC2CCCCC2)CC1 ZINC001314281335 1070046793 /nfs/dbraw/zinc/04/67/93/1070046793.db2.gz RJOHBRPPDPGSET-UHFFFAOYSA-N 0 3 483.661 3.690 20 0 JHADHN CC(C)(C)OC(=O)N1CCN(C(=O)CN(Cc2ccc3c(c2)OCO3)C2(C)CCCC2)CC1 ZINC001307575997 1070061580 /nfs/dbraw/zinc/06/15/80/1070061580.db2.gz NNUXFQUBQMLTDV-UHFFFAOYSA-N 0 3 459.587 3.629 20 0 JHADHN CC(=O)Nc1ccc2c(CN3CCC[C@@H](C(=O)Nc4ccc(Cl)cn4)C3)cc(=O)oc2c1 ZINC001307572243 1070058383 /nfs/dbraw/zinc/05/83/83/1070058383.db2.gz UXZCBBNENSLJJL-OAHLLOKOSA-N 0 3 454.914 3.651 20 0 JHADHN C[C@@H](NC(=O)N(CCO)Cc1cc(Br)ccc1F)[C@H](c1ccccc1)N(C)C ZINC001312661891 1070069015 /nfs/dbraw/zinc/06/90/15/1070069015.db2.gz UBTPMNZOJUBUKZ-FOIQADDNSA-N 0 3 452.368 3.784 20 0 JHADHN COc1ccc(CN(CC(=O)N2CCN(Cc3ccco3)CC2)C2CCCCC2)cc1OC ZINC001307591244 1070070398 /nfs/dbraw/zinc/07/03/98/1070070398.db2.gz IOEZKJCYGAOAEI-UHFFFAOYSA-N 0 3 455.599 3.776 20 0 JHADHN CCS(=O)(=O)c1ccc([C@@H](C)NC(=O)N(CCN(C)C)Cc2cccc(Cl)c2)cc1 ZINC001312673171 1070074661 /nfs/dbraw/zinc/07/46/61/1070074661.db2.gz YODXZCCFLHWGHJ-QGZVFWFLSA-N 0 3 452.020 3.968 20 0 JHADHN COc1ccc(S(N)(=O)=O)cc1NC(=O)CNC1(c2ccc(C(C)(C)C)cc2)CCCC1 ZINC001307612341 1070081342 /nfs/dbraw/zinc/08/13/42/1070081342.db2.gz ALHIAJDLKHUFNZ-UHFFFAOYSA-N 0 3 459.612 3.638 20 0 JHADHN COc1ccc(S(N)(=O)=O)cc1NC(=O)CN[C@H](c1ccccc1C)[C@@H]1CCC[C@@H](C)C1 ZINC001307634090 1070093025 /nfs/dbraw/zinc/09/30/25/1070093025.db2.gz ZGLRYAHCWYKHEW-OSWMTFESSA-N 0 3 459.612 3.747 20 0 JHADHN CSc1ccc([C@@H](CNC(=O)N2CC[C@H](CN(C)C(=O)OC(C)(C)C)C2)N(C)C)cc1 ZINC001312755581 1070105930 /nfs/dbraw/zinc/10/59/30/1070105930.db2.gz QFEMUKWUFQIZGL-YLJYHZDGSA-N 0 3 450.649 3.910 20 0 JHADHN CNS(=O)(=O)c1cc(NC(=O)CN[C@@H](Cc2ccccc2)c2sccc2C)ccc1C ZINC001307667868 1070112953 /nfs/dbraw/zinc/11/29/53/1070112953.db2.gz PQHHBCRQQIQRPH-FQEVSTJZSA-N 0 3 457.621 3.785 20 0 JHADHN COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)CN(C)[C@H]1CCCC[C@H]1C ZINC001307682401 1070122907 /nfs/dbraw/zinc/12/29/07/1070122907.db2.gz CXWXQJRYAIOSAR-NQIIRXRSSA-N 0 3 451.633 3.709 20 0 JHADHN CNC(=O)[C@H]1CCC[C@@H]1NCC(=O)Nc1cc(-c2cc(C)c(C)cc2C)nn1-c1ccccc1 ZINC001307682141 1070123065 /nfs/dbraw/zinc/12/30/65/1070123065.db2.gz HBKINUXSEIJKCY-GMAHTHKFSA-N 0 3 459.594 3.907 20 0 JHADHN COc1ccccc1C(=O)c1c(NC(=O)CN[C@@H]2CCC[C@H]2CCO)sc2c1CCCC2 ZINC001307684659 1070124572 /nfs/dbraw/zinc/12/45/72/1070124572.db2.gz UDNCGAKAQQNGNL-QFBILLFUSA-N 0 3 456.608 3.946 20 0 JHADHN Cc1cc(C(=O)N2CCN(C(=O)NC[C@@H](c3ccc(CC(C)C)cc3)N(C)C)CC2)c(C)o1 ZINC001312818849 1070140686 /nfs/dbraw/zinc/14/06/86/1070140686.db2.gz POLUGODIRKRMDL-DEOSSOPVSA-N 0 3 454.615 3.865 20 0 JHADHN CCOC(=O)c1sc([C@@H]2CCN(C(=O)N[C@H]3CCN(Cc4ccccc4)[C@@H]3C)C2)nc1C ZINC001312818607 1070140767 /nfs/dbraw/zinc/14/07/67/1070140767.db2.gz ZHQQMOHMGKXSJS-RLLQIKCJSA-N 0 3 456.612 3.790 20 0 JHADHN CCOC(=O)c1sc([C@@H]2CCN(C(=O)N[C@H]3CCN(Cc4ccccc4)[C@H]3C)C2)nc1C ZINC001312818609 1070140776 /nfs/dbraw/zinc/14/07/76/1070140776.db2.gz ZHQQMOHMGKXSJS-SXLOBPIMSA-N 0 3 456.612 3.790 20 0 JHADHN CCOC(=O)c1sc([C@@H]2CCN(C(=O)N[C@@H]3CCN(Cc4ccccc4)[C@H]3C)C2)nc1C ZINC001312818580 1070140842 /nfs/dbraw/zinc/14/08/42/1070140842.db2.gz ZHQQMOHMGKXSJS-DFQSSKMNSA-N 0 3 456.612 3.790 20 0 JHADHN CCOCc1nnc(N2CCC(Cn3cc(C)cn3)CC2)n1C[C@@H](c1ccccc1)N(C)C ZINC001314342677 1070144079 /nfs/dbraw/zinc/14/40/79/1070144079.db2.gz WWTXNRCMUFJQNK-QHCPKHFHSA-N 0 3 451.619 3.539 20 0 JHADHN CCOCc1nnc(N2CCC(CN3CCOCC3)CC2)n1CCc1ccc(OC(F)(F)F)cc1 ZINC001314343214 1070146742 /nfs/dbraw/zinc/14/67/42/1070146742.db2.gz XNUAEWOLJUAUQX-UHFFFAOYSA-N 0 3 497.562 3.505 20 0 JHADHN CCc1oc(C(=O)OC)cc1CN1CCC([C@@H]2C[C@H](NC(=O)OC(C)(C)C)CCO2)CC1 ZINC001307840274 1070208087 /nfs/dbraw/zinc/20/80/87/1070208087.db2.gz QZRDVPACPVZLGX-QUCCMNQESA-N 0 3 450.576 3.913 20 0 JHADHN CCc1oc(C(=O)OC)cc1CN1CCC([C@@H]2C[C@@H](NC(=O)OC(C)(C)C)CCO2)CC1 ZINC001307840273 1070208212 /nfs/dbraw/zinc/20/82/12/1070208212.db2.gz QZRDVPACPVZLGX-ICSRJNTNSA-N 0 3 450.576 3.913 20 0 JHADHN CCOCc1nnc(N2CCCN(CC(F)(F)F)CC2)n1C[C@@H](CC)N1CCc2ccccc2C1 ZINC001314378587 1070221001 /nfs/dbraw/zinc/22/10/01/1070221001.db2.gz MGLQSGWVXDOAEX-JOCHJYFZSA-N 0 3 494.606 3.726 20 0 JHADHN CC(C)(C)OC(=O)CC1(NCC(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)CCCCC1 ZINC001307879559 1070221671 /nfs/dbraw/zinc/22/16/71/1070221671.db2.gz PBNREFGKVRUMHG-UHFFFAOYSA-N 0 3 459.008 3.706 20 0 JHADHN COC(=O)c1cc(CN(C)Cc2ccc(CN3C[C@@H](C)O[C@@H](C)C3)cc2)cc(C(=O)OC)c1 ZINC001307885419 1070226080 /nfs/dbraw/zinc/22/60/80/1070226080.db2.gz OKZQVDABRHBGDW-KDURUIRLSA-N 0 3 454.567 3.501 20 0 JHADHN CC(C)Cn1c(N)c(C(=O)CN2CCC[C@@]2(C)Cc2ccc(C(C)(C)C)cc2)c(=O)[nH]c1=O ZINC001307912199 1070236958 /nfs/dbraw/zinc/23/69/58/1070236958.db2.gz PPAJHZGBHLNFLO-SANMLTNESA-N 0 3 454.615 3.765 20 0 JHADHN C[C@@H]1CN(C(=O)CN[C@@H]2CN(C(=O)OC(C)(C)C)CC[C@@H]2c2cccc(F)c2)CC(C)(C)O1 ZINC001307919732 1070241724 /nfs/dbraw/zinc/24/17/24/1070241724.db2.gz UHYPFFSECAXIPO-DUXKGJEZSA-N 0 3 463.594 3.534 20 0 JHADHN CCOCc1nnc(N2CCN(C3CCC(C)CC3)CC2)n1C[C@H](C)Oc1ccccc1OC ZINC001314389650 1070241821 /nfs/dbraw/zinc/24/18/21/1070241821.db2.gz CJKVSYRUOOYTGX-ORFBVSJDSA-N 0 3 471.646 3.991 20 0 JHADHN COc1cc(OC)c(NC(=O)CCN2CCC(O)(Cc3nc(C)cs3)CC2)cc1Cl ZINC001307920434 1070242552 /nfs/dbraw/zinc/24/25/52/1070242552.db2.gz BNCZWCJEHKCITC-UHFFFAOYSA-N 0 3 453.992 3.520 20 0 JHADHN CCOCc1nnc(N2CCN(C3CCCC3)CC2)n1C[C@@H]1[C@H](C)CCN1C(=O)OC(C)(C)C ZINC001314390648 1070244669 /nfs/dbraw/zinc/24/46/69/1070244669.db2.gz MXZWEKYBPIJSFP-TZIWHRDSSA-N 0 3 476.666 3.525 20 0 JHADHN CCC(F)(F)C(C)(C)CNC(=O)N1CCC(C(=O)NCCN(C)Cc2ccccc2)CC1 ZINC001313144786 1070268510 /nfs/dbraw/zinc/26/85/10/1070268510.db2.gz BXDCCTBQVBLTLK-UHFFFAOYSA-N 0 3 452.590 3.728 20 0 JHADHN CCOCc1nnc(N2CCO[C@@](C)(CC)C2)n1C[C@H](c1ccccc1OC)N1CCCC1 ZINC001314403534 1070265709 /nfs/dbraw/zinc/26/57/09/1070265709.db2.gz VEAVVBLLYPUSEY-BWKNWUBXSA-N 0 3 457.619 3.666 20 0 JHADHN O=C(CN[C@@H](CO)c1cccc(C(F)(F)F)c1)Nc1cccc(CN2CCSCC2)c1 ZINC001308003700 1070275594 /nfs/dbraw/zinc/27/55/94/1070275594.db2.gz UOBCWLAICSVCHS-FQEVSTJZSA-N 0 3 453.530 3.516 20 0 JHADHN CN(C)[C@H](CNC(=O)CN1CCc2cc(Cl)cc(Br)c2C1)c1ccccc1 ZINC001308103498 1070312492 /nfs/dbraw/zinc/31/24/92/1070312492.db2.gz IHPRHUZZVMMOGW-HXUWFJFHSA-N 0 3 450.808 3.880 20 0 JHADHN CN(C)CCN(Cc1ccc(Br)cc1)C(=O)NCc1c[nH]c(=O)c2ccccc12 ZINC001313314184 1070324913 /nfs/dbraw/zinc/32/49/13/1070324913.db2.gz ZEOGGMWUFPLUJR-UHFFFAOYSA-N 0 3 457.372 3.976 20 0 JHADHN CC(C)(C)OC(=O)N1CC[C@]2(C1)C[C@H](NC(=O)NCCN1CCCCC1)c1ccccc1O2 ZINC001313386048 1070344388 /nfs/dbraw/zinc/34/43/88/1070344388.db2.gz WPLZAUQSMXOKFA-NBGIEHNGSA-N 0 3 458.603 3.675 20 0 JHADHN Cc1cc(Br)cc(CNCc2cccnc2N2CCN(C)CC2)c1OC(F)F ZINC001308231186 1070343333 /nfs/dbraw/zinc/34/33/33/1070343333.db2.gz SPZLVIUIAMOCPJ-UHFFFAOYSA-N 0 3 455.347 3.796 20 0 JHADHN O=C(NCc1cc(C(F)F)on1)N1CCC(N2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC001313429722 1070357214 /nfs/dbraw/zinc/35/72/14/1070357214.db2.gz GBBVKUWBMCMWAY-UHFFFAOYSA-N 0 3 453.921 3.762 20 0 JHADHN OC[C@@H](Cc1ccc(F)cc1)NCc1cc(Cl)cc(Cl)c1OCCN1CCOCC1 ZINC001308393635 1070367407 /nfs/dbraw/zinc/36/74/07/1070367407.db2.gz ZQLUNHRDNXGQJU-HXUWFJFHSA-N 0 3 457.373 3.537 20 0 JHADHN C[C@@H]1C[C@@]2(CC[C@H](CNCc3cc(Cl)cc(Cl)c3OCCN3CCOCC3)O2)CO1 ZINC001308525441 1070385388 /nfs/dbraw/zinc/38/53/88/1070385388.db2.gz JVJJQRCQTDIVNS-PERKRYKHSA-N 0 3 459.414 3.521 20 0 JHADHN COc1ccc(OC)c([C@H](O)[C@H](C)NCc2cc(Br)c3c(c2)OCCCO3)c1 ZINC001308514478 1070384323 /nfs/dbraw/zinc/38/43/23/1070384323.db2.gz VQRHFSRLMMQJOF-RNODOKPDSA-N 0 3 452.345 3.839 20 0 JHADHN Cc1cc(Br)cn2c(CN3CCN(CCN(C)Cc4ccccc4)CC3)cnc12 ZINC001308616596 1070402215 /nfs/dbraw/zinc/40/22/15/1070402215.db2.gz YABJKGUPSCVICZ-UHFFFAOYSA-N 0 3 456.432 3.655 20 0 JHADHN C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)Cc1cccc2c1CCN(C(=O)OC(C)(C)C)C2 ZINC001308656561 1070411654 /nfs/dbraw/zinc/41/16/54/1070411654.db2.gz KOHBUPGLRZTLGL-QGZVFWFLSA-N 0 3 459.612 3.820 20 0 JHADHN CCCNC(=O)[C@@H]1CCCN(c2nnc(-c3ccc(Cl)cc3)n2CCN2CC=CCC2)C1 ZINC001313460894 1070412901 /nfs/dbraw/zinc/41/29/01/1070412901.db2.gz PVMDARKQPCYDEF-HXUWFJFHSA-N 0 3 457.022 3.603 20 0 JHADHN COc1ccc(S(=O)(=O)N2CC(N[C@@H]3CCCC[C@@H]3c3cc(F)c(F)c(F)c3)C2)cc1 ZINC001308671154 1070415031 /nfs/dbraw/zinc/41/50/31/1070415031.db2.gz VUESACBXDGZAJV-WIYYLYMNSA-N 0 3 454.514 3.801 20 0 JHADHN COc1ccc(S(=O)(=O)N2CC(N[C@H]3CCCC[C@H]3c3cc(F)c(F)c(F)c3)C2)cc1 ZINC001308671153 1070415090 /nfs/dbraw/zinc/41/50/90/1070415090.db2.gz VUESACBXDGZAJV-RXVVDRJESA-N 0 3 454.514 3.801 20 0 JHADHN CC(C)(C)OC(=O)Nc1ccc(CNC[C@H](CO)Cc2ccccc2Br)nn1 ZINC001308685657 1070418415 /nfs/dbraw/zinc/41/84/15/1070418415.db2.gz LDJIODRUXIQGML-CQSZACIVSA-N 0 3 451.365 3.527 20 0 JHADHN OC[C@H](CNCc1cc(Br)cnc1F)Cc1cc(Br)ccc1F ZINC001308770772 1070435083 /nfs/dbraw/zinc/43/50/83/1070435083.db2.gz VPAZLAQQNVKHGL-JTQLQIEISA-N 0 3 450.121 3.826 20 0 JHADHN COc1ccc(C[C@H](CO)CNCc2nc3ccc(Cl)cc3n2C)cc1Br ZINC001308769857 1070435104 /nfs/dbraw/zinc/43/51/04/1070435104.db2.gz KAZXESWICRLJEV-AWEZNQCLSA-N 0 3 452.780 3.939 20 0 JHADHN Cn1cc([C@H]2CN(Cc3cc(C(C)(C)NC(=O)OC(C)(C)C)no3)CC23CCOCC3)cn1 ZINC001308774716 1070435793 /nfs/dbraw/zinc/43/57/93/1070435793.db2.gz UHKYXEYEKPIPBZ-LJQANCHMSA-N 0 3 459.591 3.564 20 0 JHADHN CN(C)Cc1ccc(CN2CC[C@@H]3[C@@H](CCN3C(=O)OC(C)(C)C)C2)c2c1OC(F)(F)O2 ZINC001308793064 1070438880 /nfs/dbraw/zinc/43/88/80/1070438880.db2.gz NHGDDOLYMZQISI-MAUKXSAKSA-N 0 3 453.530 3.901 20 0 JHADHN CCOc1cc(CN[C@@H]2COc3ccccc3[C@@H]2O)ccc1OCc1ccc(C(=O)OC)o1 ZINC001308797815 1070439706 /nfs/dbraw/zinc/43/97/06/1070439706.db2.gz JMADSNVYIBLMEX-DVECYGJZSA-N 0 3 453.491 3.628 20 0 JHADHN C[C@@H]1C(=O)N(CCN(C)C)CN1Cc1cc(F)ccc1Oc1ccc(Br)cc1 ZINC001308832581 1070444057 /nfs/dbraw/zinc/44/40/57/1070444057.db2.gz AGQKHEQKPRHPIA-OAHLLOKOSA-N 0 3 450.352 3.932 20 0 JHADHN O=S(=O)(N[C@@H]1CCCC[C@H]1NCc1ccc(Br)cc1C(F)(F)F)C1CC1 ZINC001308886565 1070455119 /nfs/dbraw/zinc/45/51/19/1070455119.db2.gz KZGDVGJCLCHZFL-HZPDHXFCSA-N 0 3 455.340 3.951 20 0 JHADHN C[C@H](CC(=O)Nc1ccc(NC(=O)C2CC2)cc1)N[C@H]1CC(=O)N(C)[C@@H]1c1ccc(F)c(F)c1 ZINC001308943576 1070463639 /nfs/dbraw/zinc/46/36/39/1070463639.db2.gz OOEBFTMLCGBDQN-PNPIFTBSSA-N 0 3 470.520 3.592 20 0 JHADHN CCCNC(=O)CCn1c([C@H](C)Oc2cccc(C)c2C)nnc1N1C[C@H](C)N(CC)C[C@@H]1C ZINC001313473160 1070469309 /nfs/dbraw/zinc/46/93/09/1070469309.db2.gz APQMPSCNBXRCBC-ONTIZHBOSA-N 0 3 470.662 3.870 20 0 JHADHN CCS(=O)(=O)C1CCN(c2nnc(CC3CCCC3)n2CC2(N(C)C)CCCCC2)CC1 ZINC001314511527 1070470566 /nfs/dbraw/zinc/47/05/66/1070470566.db2.gz SPXIMJPZZPYRSF-UHFFFAOYSA-N 0 3 465.708 3.679 20 0 JHADHN CCS(=O)(=O)C[C@H](C)N(C)c1nnc(-c2cccc3cccnc32)n1C[C@@H]1CCCN(C(C)C)C1 ZINC001314515226 1070485399 /nfs/dbraw/zinc/48/53/99/1070485399.db2.gz FHPDINHXSDDENM-LEWJYISDSA-N 0 3 498.697 3.873 20 0 JHADHN CCCNC(=O)C1CCN(c2nnc(CSc3ccc(C)cc3)n2CCN2CCCC2)CC1 ZINC001313478547 1070488544 /nfs/dbraw/zinc/48/85/44/1070488544.db2.gz ZXRVOKGAGWZUQD-UHFFFAOYSA-N 0 3 470.687 3.717 20 0 JHADHN CCS(=O)(=O)C[C@H](C)N(C)c1nnc(Cc2c(F)cccc2F)n1C[C@@H]1CCCN(C(C)C)C1 ZINC001314520131 1070503750 /nfs/dbraw/zinc/50/37/50/1070503750.db2.gz BZNPREHXPZVQBS-RBUKOAKNSA-N 0 3 497.656 3.527 20 0 JHADHN CCS(=O)(=O)C[C@H](C)N(C)c1nnc(-c2c[nH]c3ccccc23)n1C[C@H](C)N1CCC[C@H](C)C1 ZINC001314521350 1070507319 /nfs/dbraw/zinc/50/73/19/1070507319.db2.gz ZXLFKXLNKOVXLG-UFYCRDLUSA-N 0 3 486.686 3.806 20 0 JHADHN CCS(=O)(=O)CCN(C)c1nnc(-c2ccc(Cl)cc2Cl)n1CCN(C)C1CCCC1 ZINC001314523434 1070513893 /nfs/dbraw/zinc/51/38/93/1070513893.db2.gz XDPFTSFVLDDANO-UHFFFAOYSA-N 0 3 488.485 3.997 20 0 JHADHN CCCOc1ccc(-c2nnc(N3C[C@@H](C)N(CC)C[C@@H]3C)n2Cc2cc(C)nn2C)cc1OC ZINC001313501744 1070526104 /nfs/dbraw/zinc/52/61/04/1070526104.db2.gz HGSCBMMIYSKFQA-UXHICEINSA-N 0 3 481.645 3.752 20 0 JHADHN C[C@@H]1C[C@@H](C)CN(C(C)(C)CNS(=O)(=O)c2cc(Cl)ccc2OC[C@@H]2CCOC2)C1 ZINC001309100989 1070540669 /nfs/dbraw/zinc/54/06/69/1070540669.db2.gz SRIIWYDDELXAQY-KZNAEPCWSA-N 0 3 459.052 3.790 20 0 JHADHN Cc1cc(Br)c(S(=O)(=O)[N-]CCC2CC[NH+](C)CC2)c(Br)c1 ZINC001309121303 1070550985 /nfs/dbraw/zinc/55/09/85/1070550985.db2.gz BIYFOEODXHKSQK-UHFFFAOYSA-N 0 3 454.228 3.530 20 0 JHADHN CCCOc1ccc(Cn2c(Cc3csc(C)n3)nnc2N2C[C@H](C)N(CC)C[C@@H]2C)cn1 ZINC001313512725 1070564849 /nfs/dbraw/zinc/56/48/49/1070564849.db2.gz RPNJBEGXGUCPAC-ROUUACIJSA-N 0 3 469.659 3.785 20 0 JHADHN CCCOc1ccc(Cn2c(Cc3csc(C)n3)nnc2N2C[C@@H](C)N(CC)C[C@H]2C)cn1 ZINC001313512724 1070564937 /nfs/dbraw/zinc/56/49/37/1070564937.db2.gz RPNJBEGXGUCPAC-QZTJIDSGSA-N 0 3 469.659 3.785 20 0 JHADHN C[C@@H](NC(C)(C)CNS(=O)(=O)c1ccc(OC[C@@H]2CCOC2)c(F)c1)c1ccccc1 ZINC001309154544 1070572964 /nfs/dbraw/zinc/57/29/64/1070572964.db2.gz QJLZPPJNMUSPBM-QZTJIDSGSA-N 0 3 450.576 3.649 20 0 JHADHN CC[S@@](=O)CCn1c(-c2ccc(Br)cc2)nnc1N1CC[C@H](N2CCCCC2)C1 ZINC001314564169 1070567574 /nfs/dbraw/zinc/56/75/74/1070567574.db2.gz ORXWRONCPMWTEQ-ADXZGYQBSA-N 0 3 480.476 3.541 20 0 JHADHN CC[S@@](=O)CCn1c(-c2cccc(C)n2)nnc1N(C)[C@H]1CCCN(Cc2ccccc2)C1 ZINC001314571103 1070577331 /nfs/dbraw/zinc/57/73/31/1070577331.db2.gz KUZHEVROWXIBFF-ULKXQASOSA-N 0 3 466.655 3.518 20 0 JHADHN C[C@H](c1ccccc1)N1CCC(NS(=O)(=O)C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001309192620 1070595805 /nfs/dbraw/zinc/59/58/05/1070595805.db2.gz FMHXSPRXLYKRCW-GOSISDBHSA-N 0 3 451.633 3.531 20 0 JHADHN CCN(C[C@H]1CCN(Cc2ccccc2)C1)S(=O)(=O)c1ccc(-n2cc(C)cn2)c(F)c1 ZINC001309246910 1070641702 /nfs/dbraw/zinc/64/17/02/1070641702.db2.gz NZPILOQRCAZZDX-NRFANRHFSA-N 0 3 456.587 3.853 20 0 JHADHN Cc1ccc([C@@H]2CN(Cc3ccccc3)C[C@H]2S(=O)(=O)NCc2csc(N(C)C)n2)cc1 ZINC001309256935 1070649671 /nfs/dbraw/zinc/64/96/71/1070649671.db2.gz DPGSCOHHBMFMKZ-XZOQPEGZSA-N 0 3 470.664 3.605 20 0 JHADHN COc1cc(Br)c(F)cc1S(=O)(=O)[N-]CC1CC[NH+](CCC(C)C)CC1 ZINC001309260814 1070652316 /nfs/dbraw/zinc/65/23/16/1070652316.db2.gz GLWIJOUHIZQICK-UHFFFAOYSA-N 0 3 451.402 3.633 20 0 JHADHN CCS[C@@H]1CCCCN(c2nnc([C@@H]3CCCCO3)n2C[C@H](C)N2CCN(CC)CC2)C1 ZINC001314603948 1070659281 /nfs/dbraw/zinc/65/92/81/1070659281.db2.gz OBKNIHDIYREQLA-BDTNDASRSA-N 0 3 464.724 3.658 20 0 JHADHN Cc1cc(Cl)c(Br)cc1S(=O)(=O)N1C[C@@H](CN(C)C)Oc2ccccc21 ZINC001309309418 1070689085 /nfs/dbraw/zinc/68/90/85/1070689085.db2.gz JRRSEFAMLUARFB-CYBMUJFWSA-N 0 3 459.793 3.929 20 0 JHADHN CCSCCCn1c(Cc2ccccc2OC)nnc1N1CCN(C2CCOCC2)C[C@@H]1C ZINC001314621133 1070700338 /nfs/dbraw/zinc/70/03/38/1070700338.db2.gz LUBZGYAODRIMKI-FQEVSTJZSA-N 0 3 473.687 3.710 20 0 JHADHN CCN(c1nnc(C(=O)NCc2ccc(Cl)cc2)n1C[C@]1(N(C)C)CCSC1)C(C)C ZINC001313577007 1070694168 /nfs/dbraw/zinc/69/41/68/1070694168.db2.gz JHAXOVVFZKZDHC-JOCHJYFZSA-N 0 3 465.067 3.534 20 0 JHADHN CCN(c1nnc(-c2cccc(Cl)c2)n1CCCN1CCCC[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 ZINC001313583672 1070706740 /nfs/dbraw/zinc/70/67/40/1070706740.db2.gz INBVLBDHCDXISY-GHTZIAJQSA-N 0 3 480.078 3.876 20 0 JHADHN CN(C)C(=O)[C@@H]1CCCN1CCCn1c(N2CC[C@H](c3cccc(F)c3)C2)nnc1C(C)(C)C ZINC001314627940 1070722357 /nfs/dbraw/zinc/72/23/57/1070722357.db2.gz FLUVTQCGEWDNHP-UNMCSNQZSA-N 0 3 470.637 3.651 20 0 JHADHN CCN(c1nnc(C2CCCC2)n1CC[C@@H](C)N(C)Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1 ZINC001313599521 1070724237 /nfs/dbraw/zinc/72/42/37/1070724237.db2.gz LTKRMYJWFRIVFB-NFBKMPQASA-N 0 3 473.687 3.860 20 0 JHADHN Cc1ccc([C@@H]2CN(Cc3ccccc3)C[C@H]2S(=O)(=O)NCC(C)(C)[C@@H](O)C(C)C)cc1 ZINC001309372571 1070731075 /nfs/dbraw/zinc/73/10/75/1070731075.db2.gz CZCVFHJNGKQCLT-GVAUOCQISA-N 0 3 458.668 3.926 20 0 JHADHN CN(C)[C@H](Cn1c(-c2ccc(Cl)cc2)nnc1N1CCC(C(N)=O)CC1)c1cccs1 ZINC001314648700 1070753170 /nfs/dbraw/zinc/75/31/70/1070753170.db2.gz NMTZZAMAQBSYQS-GOSISDBHSA-N 0 3 459.019 3.665 20 0 JHADHN CN(C)[C@@H](Cn1c(-c2cnn(C)c2)nnc1N1CCC[C@@H](OC(C)(C)C)C1)c1cccs1 ZINC001314649012 1070753675 /nfs/dbraw/zinc/75/36/75/1070753675.db2.gz KMHHKMMJIUHYRD-MOPGFXCFSA-N 0 3 457.648 3.827 20 0 JHADHN CN(C)[C@H](Cn1c([C@H]2CCCOC2)nnc1N1CCN(C(C)(C)C)CC1)c1c(F)cccc1F ZINC001314649408 1070755479 /nfs/dbraw/zinc/75/54/79/1070755479.db2.gz BADMIGHZZBHGFW-GHTZIAJQSA-N 0 3 476.616 3.674 20 0 JHADHN CN(C)[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](OC(C)(C)C)C1)c1ccc(F)cc1 ZINC001314652049 1070762359 /nfs/dbraw/zinc/76/23/59/1070762359.db2.gz CCTRDTJBVWWHJZ-FGZHOGPDSA-N 0 3 486.636 3.626 20 0 JHADHN CN(C)[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CC[C@H](N(C)C(=O)OC(C)(C)C)C1)c1cccs1 ZINC001314652887 1070764859 /nfs/dbraw/zinc/76/48/59/1070764859.db2.gz JIOIWMQCFOSJRY-GBESFXJTSA-N 0 3 490.674 3.940 20 0 JHADHN CN(C)[C@H](Cn1c(N2CCN(C3=NCC(C)(C)S3)CC2)nnc1C(C)(C)C)c1ccccc1 ZINC001314653990 1070767767 /nfs/dbraw/zinc/76/77/67/1070767767.db2.gz PMOFAAITQDEVGD-HXUWFJFHSA-N 0 3 469.703 3.882 20 0 JHADHN CN(C)[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCN(C(=O)NC(C)(C)C)CC1)c1ccc(F)cc1 ZINC001314655455 1070772030 /nfs/dbraw/zinc/77/20/30/1070772030.db2.gz LBXJMBJBQNBQOU-NRFANRHFSA-N 0 3 487.668 3.939 20 0 JHADHN CN(C)[C@H](Cn1c(Cc2ccc(Cl)cc2)nnc1N1CCC[C@H](C(N)=O)C1)c1cccs1 ZINC001314656080 1070773931 /nfs/dbraw/zinc/77/39/31/1070773931.db2.gz OTZIAFADXHCOAH-PKOBYXMFSA-N 0 3 473.046 3.588 20 0 JHADHN CN(C)[C@@H](Cn1c(CCc2ccccc2)nnc1N1CCN(C(C)(C)C)CC1)c1ccco1 ZINC001314656263 1070774625 /nfs/dbraw/zinc/77/46/25/1070774625.db2.gz WTUXVBRREYUECT-QFIPXVFZSA-N 0 3 450.631 3.880 20 0 JHADHN CN(C)C1(Cn2c(CC3CCCC3)nnc2N2CCCC[C@@H](S(C)(=O)=O)C2)CCCCC1 ZINC001314657935 1070777928 /nfs/dbraw/zinc/77/79/28/1070777928.db2.gz KVRSKGVOPHVWEX-OAQYLSRUSA-N 0 3 465.708 3.679 20 0 JHADHN CN(C)CC(C)(C)Cn1c(-c2ccc(-c3ccc(F)cc3)s2)nnc1N1CCS(=O)(=O)CC1 ZINC001314662376 1070789507 /nfs/dbraw/zinc/78/95/07/1070789507.db2.gz AQUJGMHIJRBXMA-UHFFFAOYSA-N 0 3 491.658 3.635 20 0 JHADHN CN(C)CC(C)(C)Cn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCO[C@@](C)(C(C)(C)C)C1 ZINC001314663341 1070791865 /nfs/dbraw/zinc/79/18/65/1070791865.db2.gz RQUMXTAJEVOKTL-RUZDIDTESA-N 0 3 491.702 3.578 20 0 JHADHN CCN(C[C@H](O)c1ccc(C)cc1)c1nnc(-c2cnccn2)n1C[C@H](c1ccsc1)N(C)C ZINC001313641716 1070787753 /nfs/dbraw/zinc/78/77/53/1070787753.db2.gz YXFSUHZVYFDFRW-PKTZIBPZSA-N 0 3 477.638 3.968 20 0 JHADHN CCN(CC)[C@@H](C)Cn1c(-c2ccccn2)nnc1N1CCC(S(=O)(=O)c2ccccc2)CC1 ZINC001313660737 1070866556 /nfs/dbraw/zinc/86/65/56/1070866556.db2.gz UWGXIQWBDKTFKY-FQEVSTJZSA-N 0 3 482.654 3.513 20 0 JHADHN CCN(CC)[C@H](Cn1c(C(C)C)nnc1N1CCN(c2ccnc(C)n2)CC1)c1ccsc1 ZINC001313663731 1070873378 /nfs/dbraw/zinc/87/33/78/1070873378.db2.gz HBCPHOIBRBLJMW-OAQYLSRUSA-N 0 3 468.675 3.971 20 0 JHADHN CN(C)[C@@H](Cn1c(Cc2ccc(F)cc2)nnc1N(C)CC(=O)NC(C)(C)C)c1cccs1 ZINC001314709893 1070886626 /nfs/dbraw/zinc/88/66/26/1070886626.db2.gz IXNYLTIAGIOFMQ-IBGZPJMESA-N 0 3 472.634 3.723 20 0 JHADHN CCN(CC)[C@@H](C)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 ZINC001313667098 1070888261 /nfs/dbraw/zinc/88/82/61/1070888261.db2.gz IRNFYQXFCDOZOR-LPHOPBHVSA-N 0 3 486.107 3.577 20 0 JHADHN CCN(CC)[C@@H](C)Cn1c(CSc2ccc(Cl)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 ZINC001313667099 1070888413 /nfs/dbraw/zinc/88/84/13/1070888413.db2.gz IRNFYQXFCDOZOR-QFBILLFUSA-N 0 3 486.107 3.577 20 0 JHADHN CN(CC(C)(C)CN1CCOCC1)c1nnc(-c2ccc(Cl)cc2)n1CCN1CC=CCC1 ZINC001314714733 1070904149 /nfs/dbraw/zinc/90/41/49/1070904149.db2.gz WVEBVUOSGFJFBR-UHFFFAOYSA-N 0 3 473.065 3.655 20 0 JHADHN CCN(CC)[C@H](Cn1c(C)nnc1N1C[C@@H]2CN(C(=O)OC(C)(C)C)C[C@@H]2C1)c1ccco1 ZINC001313673662 1070908684 /nfs/dbraw/zinc/90/86/84/1070908684.db2.gz KRXODEOXQGBNHE-HSALFYBXSA-N 0 3 458.607 3.566 20 0 JHADHN CCN(CC)[C@@H](Cn1c(N(C)C2CCN(S(C)(=O)=O)CC2)nnc1C(C)(C)C)c1ccsc1 ZINC001313674414 1070911911 /nfs/dbraw/zinc/91/19/11/1070911911.db2.gz JCRGCMYVJFJROV-FQEVSTJZSA-N 0 3 496.747 3.580 20 0 JHADHN CCN(CC)[C@@H](Cn1c(CC(C)C)nnc1N1C[C@]2(CCOC2)OC(C)(C)C1)c1ccco1 ZINC001313676180 1070919665 /nfs/dbraw/zinc/91/96/65/1070919665.db2.gz DBZMWZBLDAEUKJ-CPJSRVTESA-N 0 3 459.635 3.927 20 0 JHADHN CCN(CC)[C@H](Cn1c(-c2ccc(Cl)cc2)nnc1N1CC(=O)N(C)C[C@H]1C)c1ccco1 ZINC001313675342 1070915827 /nfs/dbraw/zinc/91/58/27/1070915827.db2.gz RYNRAZNHUXAKKR-YLJYHZDGSA-N 0 3 471.005 3.942 20 0 JHADHN CCN(CC)[C@H](Cn1c([C@H]2CCCO2)nnc1N1CCC(NC(=O)C(C)C)CC1)c1ccco1 ZINC001313675551 1070916433 /nfs/dbraw/zinc/91/64/33/1070916433.db2.gz POEYGJIHFXVRFL-IFMALSPDSA-N 0 3 472.634 3.547 20 0 JHADHN CCN(CC)[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](C(C)C)C1)c1ccco1 ZINC001313675535 1070916761 /nfs/dbraw/zinc/91/67/61/1070916761.db2.gz PHMGOPVXDUTASW-NHCUHLMSSA-N 0 3 456.635 3.949 20 0 JHADHN 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CCN1CCN(C[C@H](C)Cn2c([C@H]3CCCO3)nnc2N(C)Cc2ccc(Cl)c(F)c2)CC1 ZINC001313951354 1071641749 /nfs/dbraw/zinc/64/17/49/1071641749.db2.gz GVWREHITTBDKNR-PGRDOPGGSA-N 0 3 479.044 3.832 20 0 JHADHN CCN1CCN(C[C@H](C)Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)CC2CC(F)(F)C2)CC1 ZINC001313951493 1071642410 /nfs/dbraw/zinc/64/24/10/1071642410.db2.gz ISFJPGGCECQXLK-KSEOMHKRSA-N 0 3 496.691 3.952 20 0 JHADHN CCN1CCN(C[C@H](C)Cn2c(CSc3ccc(C)cc3)nnc2N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001313952957 1071647177 /nfs/dbraw/zinc/64/71/77/1071647177.db2.gz VKDAWKUQPLBSGQ-RJGXRXQPSA-N 0 3 486.730 3.766 20 0 JHADHN CCN1CCN(C[C@@H](C)Cn2c(Cc3ccc(F)cc3)nnc2N2CCC[C@@H](C(F)F)C2)CC1 ZINC001313955053 1071654255 /nfs/dbraw/zinc/65/42/55/1071654255.db2.gz DTOWZLMPBFKJFQ-TZIWHRDSSA-N 0 3 478.607 3.763 20 0 JHADHN CCN1CCN(CCCn2c(CC(C)(C)C)nnc2N2CC[C@H](COc3ccccc3)C2)CC1 ZINC001313957469 1071660677 /nfs/dbraw/zinc/66/06/77/1071660677.db2.gz UUTQGKYMHCRTBA-QHCPKHFHSA-N 0 3 468.690 3.800 20 0 JHADHN CCN1CCN(C[C@H](C)Cn2c(CCc3ccc(OC)cc3)nnc2N2C[C@@H](C)C[C@H](C)C2)CC1 ZINC001313957919 1071661854 /nfs/dbraw/zinc/66/18/54/1071661854.db2.gz SBVSDERGOUVAIU-HJOGWXRNSA-N 0 3 482.717 3.828 20 0 JHADHN CCN1CCN(CCCn2c(Cc3ccccc3C)nnc2N2CCS[C@@H](C)[C@H]2C)CC1 ZINC001313960197 1071669226 /nfs/dbraw/zinc/66/92/26/1071669226.db2.gz FQEICYLWYFODFK-YADHBBJMSA-N 0 3 456.704 3.535 20 0 JHADHN CCN1CCN(CCCn2c(Cc3ccccc3C)nnc2N(C)[C@@H](C)c2ccco2)CC1 ZINC001313960110 1071669380 /nfs/dbraw/zinc/66/93/80/1071669380.db2.gz DQYOYDCAHNUBSN-QFIPXVFZSA-N 0 3 450.631 3.995 20 0 JHADHN CCN1CCN(CCCn2c(COc3ccc(Cl)cc3)nnc2N2CCC[C@](C)(OC)C2)CC1 ZINC001313960741 1071670425 /nfs/dbraw/zinc/67/04/25/1071670425.db2.gz MCJROZNKYUDGBI-VWLOTQADSA-N 0 3 491.080 3.543 20 0 JHADHN CCN1CCN(CCCn2c(COc3ccccc3OC)nnc2N2CC[C@H](C)C(C)(C)C2)CC1 ZINC001313961030 1071671651 /nfs/dbraw/zinc/67/16/51/1071671651.db2.gz PDLRVDFHCFTUJB-QFIPXVFZSA-N 0 3 484.689 3.766 20 0 JHADHN CCN1CCN(CCCn2c(C)nnc2N2Cc3cc(Br)ccc3[C@@H](C)C2)CC1 ZINC001313961494 1071672282 /nfs/dbraw/zinc/67/22/82/1071672282.db2.gz UKGDQLFZTSYWKJ-KRWDZBQOSA-N 0 3 461.452 3.500 20 0 JHADHN CCNC(=O)C1(Cn2c(-c3cccc(Cl)c3)nnc2N2C[C@@H](C)N(CC)C[C@@H]2C)CCC1 ZINC001313975338 1071705455 /nfs/dbraw/zinc/70/54/55/1071705455.db2.gz PIMVGFXIMPFKGC-MSOLQXFVSA-N 0 3 459.038 3.824 20 0 JHADHN CCOC(=O)N[C@@H]1CCCN(c2nnc(-c3cccc(OC(F)F)c3)n2CCN2CC=CCC2)C1 ZINC001314030468 1071801957 /nfs/dbraw/zinc/80/19/57/1071801957.db2.gz CSGDRXYGNAEKMO-LJQANCHMSA-N 0 3 490.555 3.523 20 0 JHADHN CCOC(C)(C)Cn1c(COc2cccc(C)c2)nnc1N1CCN(C2CCOCC2)C[C@@H]1C ZINC001314055401 1071881733 /nfs/dbraw/zinc/88/17/33/1071881733.db2.gz VQKHKGVFRWMMGT-NRFANRHFSA-N 0 3 471.646 3.670 20 0 JHADHN CCO[C@H](CCn1c([C@H](C)CC)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1)C(C)C ZINC001314057821 1071887457 /nfs/dbraw/zinc/88/74/57/1071887457.db2.gz TVPVIJCPEDPAMX-CJTFWIGWSA-N 0 3 476.710 3.622 20 0 JHADHN CCO[C@H](CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCN(C(C)(C)C)CC1)C(C)C ZINC001314063499 1071904913 /nfs/dbraw/zinc/90/49/13/1071904913.db2.gz SMACRPOBELNEAZ-JOCHJYFZSA-N 0 3 491.702 3.720 20 0 JHADHN CCO[C@]1(c2nnc(N3CCN(C4CCC(C)CC4)CC3)n2CCCSCC)CCOC1 ZINC001314132584 1072044799 /nfs/dbraw/zinc/04/47/99/1072044799.db2.gz AOKVHFMYBDBPRQ-SLXFGWRHSA-N 0 3 465.708 3.774 20 0 JHADHN CCO[C@@]1(c2nnc(N3CCN(CCC(C)(C)C)CC3)n2Cc2ccc(C)cc2)CCOC1 ZINC001314133964 1072045685 /nfs/dbraw/zinc/04/56/85/1072045685.db2.gz DMJMKDFELWYWHJ-SANMLTNESA-N 0 3 455.647 3.845 20 0 JHADHN CCO[C@]1(c2nnc(N3CCN(C(C)(C)C)CC3)n2CCCOC2CCCCC2)CCOC1 ZINC001314140164 1072053532 /nfs/dbraw/zinc/05/35/32/1072053532.db2.gz ZRIUCHOUDBFJBP-RUZDIDTESA-N 0 3 463.667 3.590 20 0 JHADHN CCO[C@]1(c2nnc(N3CCN(C(C)(C)C)CC3)n2C[C@H](C)Oc2cccc(C)c2)CCOC1 ZINC001314137124 1072048830 /nfs/dbraw/zinc/04/88/30/1072048830.db2.gz UCQHPJKGZHHLBC-HFZDXXHNSA-N 0 3 471.646 3.627 20 0 JHADHN CCc1ccc(-c2nnc(N3C[C@H](C)N(CC)C[C@H]3C)n2CC2(COC)CCOCC2)cc1 ZINC001305928872 1068227938 /nfs/dbraw/zinc/22/79/38/1068227938.db2.gz MBZCPSSEPKWTSA-LEWJYISDSA-N 0 3 455.647 3.870 20 0 JHADHN CCc1ccc(-c2nnc(N3CCC(CN4CCOCC4)CC3)n2CC(C)(C)COC)cc1 ZINC001305937848 1068243064 /nfs/dbraw/zinc/24/30/64/1068243064.db2.gz YLZDOTDLDJYLFY-UHFFFAOYSA-N 0 3 455.647 3.729 20 0 JHADHN CCc1ccc(-c2nnc(N3CCCC[C@@H](S(C)(=O)=O)C3)n2CCN(C)[C@H](C)CC)cc1 ZINC001305941955 1068252455 /nfs/dbraw/zinc/25/24/55/1068252455.db2.gz PJCWQVHAGISJKS-DENIHFKCSA-N 0 3 461.676 3.641 20 0 JHADHN CCc1ccc(-c2nnc(N3CCCN(CC)C(=O)C3)n2C[C@H](c2ccsc2)N(C)C)cc1 ZINC001305946638 1068261885 /nfs/dbraw/zinc/26/18/85/1068261885.db2.gz XDJPZPSARYRXDV-JOCHJYFZSA-N 0 3 466.655 3.931 20 0 JHADHN CCc1ccc(CCn2c([C@H](C)CC)nnc2N2C[C@@H](C)[C@@H](N3CCCN(C(C)=O)CC3)C2)cc1 ZINC001305956861 1068284924 /nfs/dbraw/zinc/28/49/24/1068284924.db2.gz HLWAGEOBSTWZTA-DRLORSAXSA-N 0 3 480.701 3.976 20 0 JHADHN CCc1ccccc1OCc1nnc(N2CC[C@@H](C)[C@H]2C)n1CCCN1CCN(CC)CC1 ZINC001305982733 1068328598 /nfs/dbraw/zinc/32/85/98/1068328598.db2.gz UXXGZQWSSZTPLH-FGZHOGPDSA-N 0 3 454.663 3.682 20 0 JHADHN CCc1ccccc1OCc1nnc(N2CCN(C3CCOCC3)C[C@H]2C)n1C[C@H](CC)OC ZINC001305984847 1068333308 /nfs/dbraw/zinc/33/33/08/1068333308.db2.gz DAIGERHLNLDTOR-OFNKIYASSA-N 0 3 471.646 3.534 20 0 JHADHN CCc1cnc(CN(C)c2nnc(Cc3ccsc3)n2C[C@@H](C)N2CCN(CC)CC2)s1 ZINC001305996380 1068361164 /nfs/dbraw/zinc/36/11/64/1068361164.db2.gz SLNQWAIBKRMIBC-GOSISDBHSA-N 0 3 473.716 3.612 20 0 JHADHN CCc1nc(C)c([C@H](C)N(C)c2nnc([C@H]3CCCOC3)n2CCN2CCN(C)C(C)(C)C2)s1 ZINC001306002264 1068375160 /nfs/dbraw/zinc/37/51/60/1068375160.db2.gz KIPDTPMATNMHMR-PMACEKPBSA-N 0 3 489.734 3.723 20 0 JHADHN CCc1nc(C)c(Cn2c(-c3cc(Br)c[nH]3)nnc2N2C[C@@H](C)N(CC)C[C@@H]2C)o1 ZINC001306009243 1068390198 /nfs/dbraw/zinc/39/01/98/1068390198.db2.gz UEKKZNXXJOHFOX-KGLIPLIRSA-N 0 3 476.423 3.862 20 0 JHADHN CCc1nc(CCn2c(Cc3ccc(Cl)cc3)nnc2N2C[C@H](C)N(CC)C[C@H]2C)no1 ZINC001306020568 1068411522 /nfs/dbraw/zinc/41/15/22/1068411522.db2.gz WQXSZSMLINYRHS-DLBZAZTESA-N 0 3 458.010 3.629 20 0 JHADHN CCc1nc(Cn2c(-c3ccc(OC)c(OC)c3)nnc2N2CCN(CC(C)C)CC2)cs1 ZINC001306038258 1068446996 /nfs/dbraw/zinc/44/69/96/1068446996.db2.gz YJNATXLXHHGBEE-UHFFFAOYSA-N 0 3 470.643 3.808 20 0 JHADHN CCc1nnc(N2CCC([C@](C)(O)C(F)(F)F)CC2)n1CCCN1CCN(c2ccccc2)CC1 ZINC001306121897 1068531138 /nfs/dbraw/zinc/53/11/38/1068531138.db2.gz KXOVNFNYNOFMHK-DEOSSOPVSA-N 0 3 494.606 3.583 20 0 JHADHN CCc1nnc(N2CCC(Cn3nc(C)cc3C)CC2)n1C[C@H](c1cccc(OC)c1)N(C)C ZINC001306136460 1068539689 /nfs/dbraw/zinc/53/96/89/1068539689.db2.gz MUNOWGZNSUUUQD-XMMPIXPASA-N 0 3 465.646 3.882 20 0 JHADHN CCc1nnc(N2CCC(NC(=O)c3ccccc3C)CC2)n1C[C@H](c1cccs1)N(C)C ZINC001306142844 1068544764 /nfs/dbraw/zinc/54/47/64/1068544764.db2.gz FPOWVZDICQDZKY-OAQYLSRUSA-N 0 3 466.655 3.912 20 0 JHADHN CCc1nnc(N2CCC(NC(=O)c3ccsc3)CC2)n1C[C@@H](c1cccc(F)c1)N(C)C ZINC001306142925 1068544814 /nfs/dbraw/zinc/54/48/14/1068544814.db2.gz FXHOJDHXBGHDAJ-NRFANRHFSA-N 0 3 470.618 3.743 20 0 JHADHN CC[C@@H]1[C@@H](C)CCN1c1nnc([C@H](C)OCCOC)n1CC1(N2CCSCC2)CCCC1 ZINC001306260068 1068669450 /nfs/dbraw/zinc/66/94/50/1068669450.db2.gz JZNJKZCQJUVSSE-PCCBWWKXSA-N 0 3 465.708 3.989 20 0 JHADHN CC[C@H]1CCCCN1CCn1c(-c2ccccc2C)nnc1N1CCC(S(=O)(=O)CC)CC1 ZINC001306318579 1068741971 /nfs/dbraw/zinc/74/19/71/1068741971.db2.gz HCXVZCPQPBLESU-NRFANRHFSA-N 0 3 473.687 3.922 20 0 JHADHN C[C@H](CNC(=O)c1cnn(-c2ncccc2Cl)c1C(F)(F)C(F)(F)F)N1CCCC1 ZINC001306353899 1068789321 /nfs/dbraw/zinc/78/93/21/1068789321.db2.gz IKSNZQKUCXIXFH-LLVKDONJSA-N 0 3 451.827 3.789 20 0 JHADHN CC[C@@H]1CCCN1c1nnc(COc2cc(C)cc(C)c2)n1CCCN1CCC[C@@H]1C(=O)N(C)C ZINC001306356432 1068791185 /nfs/dbraw/zinc/79/11/85/1068791185.db2.gz USELGHWXCKEQIF-ISKFKSNPSA-N 0 3 482.673 3.795 20 0 JHADHN CC[C@@H]1CCN(c2nnc([C@@H](C)Oc3ccc(F)cc3)n2CCCN2CCC[C@@H]2C(=O)N(C)C)C1 ZINC001306361492 1068796299 /nfs/dbraw/zinc/79/62/99/1068796299.db2.gz DNRAIXJWIUOIJT-TXTKFYIRSA-N 0 3 486.636 3.736 20 0 JHADHN CC[C@H]1CCN(c2nnc(COc3cc(C)cc(C)c3)n2CCCN2CCN(CC)CC2)C1 ZINC001306381135 1068812515 /nfs/dbraw/zinc/81/25/15/1068812515.db2.gz CDJYLWSBQMNNQX-QHCPKHFHSA-N 0 3 454.663 3.738 20 0 JHADHN CC[C@H]1CN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H]2N(C)CCCC2(C)C)CCO1 ZINC001306391188 1068831009 /nfs/dbraw/zinc/83/10/09/1068831009.db2.gz LCAUPJOAJBCINF-FCHUYYIVSA-N 0 3 468.646 3.883 20 0 JHADHN CC[C@@H]1CN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@H](C)N2CCC(C)CC2)CCO1 ZINC001306394548 1068837125 /nfs/dbraw/zinc/83/71/25/1068837125.db2.gz YAJNSLWDMCIKOM-JTHBVZDNSA-N 0 3 468.646 3.883 20 0 JHADHN CC[C@@H]1CN(c2nnc(-c3ccc(Br)cc3)n2CCN2CC=CCC2)C[C@@H](C)O1 ZINC001306407153 1068880266 /nfs/dbraw/zinc/88/02/66/1068880266.db2.gz WDGPWYLAYNWYOF-YLJYHZDGSA-N 0 3 460.420 3.973 20 0 JHADHN O=C(Nc1cc(Cl)c(OCC(F)(F)F)c(Cl)c1)N1CC[C@H]2[C@H]1CCCN2CCO ZINC001310496742 1068981076 /nfs/dbraw/zinc/98/10/76/1068981076.db2.gz KPFULKAVBBGOHA-LSDHHAIUSA-N 0 3 456.292 3.997 20 0 JHADHN CC[C@@H]1CN(c2nnc(COc3ccccc3F)n2C[C@H](C)CN2CCN(CC)CC2)CCS1 ZINC001306458714 1068991579 /nfs/dbraw/zinc/99/15/79/1068991579.db2.gz QPSSOUGGEQIPIM-NHCUHLMSSA-N 0 3 490.693 3.602 20 0 JHADHN CC[C@@H]1CN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@H](c2ccccc2)N(C)C)CCO1 ZINC001306464571 1069001184 /nfs/dbraw/zinc/00/11/84/1069001184.db2.gz LZWMETWAHYTYEM-KAOXLYBCSA-N 0 3 498.672 3.967 20 0 JHADHN CC/C=C\Cn1c(-c2cccc(Br)c2)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001306468511 1069009999 /nfs/dbraw/zinc/00/99/99/1069009999.db2.gz YAYFSDQHYTUEEW-JXCVUKRWSA-N 0 3 460.420 3.832 20 0 JHADHN CC/C=C\Cn1c(CCc2ccc(OC)cc2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC001306482539 1069022593 /nfs/dbraw/zinc/02/25/93/1069022593.db2.gz ARYDMKDCGPKTGG-WNWNSBFKSA-N 0 3 466.674 3.643 20 0 JHADHN Cc1cc(O[C@@H]2CCN(C)C2=O)ccc1NC(=O)N(CCN(C)C)Cc1cccc(Cl)c1 ZINC001310648738 1069083903 /nfs/dbraw/zinc/08/39/03/1069083903.db2.gz HIPIWTCRUPSYLR-JOCHJYFZSA-N 0 3 458.990 3.854 20 0 JHADHN CCN1CCN(Cc2ccc(CNC(=O)Nc3cnc(C(F)(F)F)cc3OC)cc2)CC1 ZINC001310676357 1069103842 /nfs/dbraw/zinc/10/38/42/1069103842.db2.gz HKWQLLWICXIUIR-UHFFFAOYSA-N 0 3 451.493 3.568 20 0 JHADHN CC[C@@H](CNC(=O)Nc1cccc(C(=O)NC)c1Br)N1CCc2ccccc2C1 ZINC001310705531 1069122424 /nfs/dbraw/zinc/12/24/24/1069122424.db2.gz NEEPLJFGIJHYMG-KRWDZBQOSA-N 0 3 459.388 3.767 20 0 JHADHN CCCC(=O)NC[C@@H]1CCCN(c2nnc(-c3ccc[nH]3)n2C[C@H](c2ccc(F)cc2)N(C)C)C1 ZINC001306516962 1069124757 /nfs/dbraw/zinc/12/47/57/1069124757.db2.gz LFQGGLCDMLTCAK-WMZHIEFXSA-N 0 3 481.620 3.848 20 0 JHADHN CS[C@H]1CN(C(=O)Nc2ccc3c(c2F)CCN(C(=O)OC(C)(C)C)C3)C[C@@H]1N(C)C ZINC001310723698 1069134655 /nfs/dbraw/zinc/13/46/55/1069134655.db2.gz DYNIRWDVJLCGSO-ROUUACIJSA-N 0 3 452.596 3.628 20 0 JHADHN CS[C@@H]1CN(C(=O)Nc2ccc3c(c2F)CCN(C(=O)OC(C)(C)C)C3)C[C@@H]1N(C)C ZINC001310723702 1069135239 /nfs/dbraw/zinc/13/52/39/1069135239.db2.gz DYNIRWDVJLCGSO-ZWKOTPCHSA-N 0 3 452.596 3.628 20 0 JHADHN Cc1nc(NC(=O)N2CC[C@H]3[C@H]2CCCN3CCO)sc1Cc1cccc(Cl)c1F ZINC001310740968 1069143799 /nfs/dbraw/zinc/14/37/99/1069143799.db2.gz AMYSVKSPDGIRTD-DLBZAZTESA-N 0 3 452.983 3.898 20 0 JHADHN CN1CCC(Oc2ccc(Cl)cc2NC(=O)NCC(=O)Nc2ccc(F)c(F)c2)CC1 ZINC001310745679 1069148245 /nfs/dbraw/zinc/14/82/45/1069148245.db2.gz MNUMQUTVVYFZRJ-UHFFFAOYSA-N 0 3 452.889 3.851 20 0 JHADHN Cc1noc(-c2ccc(NC(=O)N(CCN(C)C)Cc3ccc(Br)cc3)cn2)n1 ZINC001310756829 1069151997 /nfs/dbraw/zinc/15/19/97/1069151997.db2.gz ZNNDYYHOEBPWQY-UHFFFAOYSA-N 0 3 459.348 3.798 20 0 JHADHN C[C@@H]1[C@H](NC(=O)N[C@@H](CCNC(=O)OC(C)(C)C)C(F)(F)F)CCN1Cc1ccccc1 ZINC001310886621 1069210181 /nfs/dbraw/zinc/21/01/81/1069210181.db2.gz PFNLEKJQWLFKRB-NXHRZFHOSA-N 0 3 458.525 3.794 20 0 JHADHN CCCc1nc(C)c(Cn2c(CC(C)(C)C)nnc2N2C[C@H](N3CCCN(C(C)=O)CC3)[C@@H](C)C2)o1 ZINC001306612482 1069290650 /nfs/dbraw/zinc/29/06/50/1069290650.db2.gz QZNGFWIGNVNDMV-UGKGYDQZSA-N 0 3 499.704 3.543 20 0 JHADHN CCC[C@H]1CN(c2nnc(C)n2CCc2ccc(Br)s2)CCN1CCOC ZINC001306615716 1069296181 /nfs/dbraw/zinc/29/61/81/1069296181.db2.gz HLSBDFKCVBLPSE-INIZCTEOSA-N 0 3 456.454 3.590 20 0 JHADHN CCC[C@@H]1CN(c2nnc(C)n2CCc2coc(-c3ccc(C)cc3)n2)CCN1CCOC ZINC001306618416 1069301202 /nfs/dbraw/zinc/30/12/02/1069301202.db2.gz VYJBLWPYOUHWSU-HSZRJFAPSA-N 0 3 452.603 3.730 20 0 JHADHN CN1CC[C@@](O)(CNC(=O)Nc2ccc(Br)c(OCCC3CCCCC3)c2)C1 ZINC001311226821 1069302114 /nfs/dbraw/zinc/30/21/14/1069302114.db2.gz HVCIRMYFCUPUOD-OAQYLSRUSA-N 0 3 454.409 3.986 20 0 JHADHN CCC[C@@H]1CN(c2nnc(-c3cnccn3)n2C[C@H](C)c2ccc(F)cc2)CCN1CCOC ZINC001306619464 1069303340 /nfs/dbraw/zinc/30/33/40/1069303340.db2.gz BEZMDFMMCLLAOS-SIKLNZKXSA-N 0 3 467.593 3.615 20 0 JHADHN CCC[C@@H]1CN(c2nnc(-c3cccnc3)n2Cc2ccc(F)c(F)c2)CCN1CCOC ZINC001306620915 1069307977 /nfs/dbraw/zinc/30/79/77/1069307977.db2.gz KVIZUJSKIJSXNQ-HXUWFJFHSA-N 0 3 456.541 3.604 20 0 JHADHN CCC[C@H]1CN(c2nnc(-c3ccc(Br)cc3)n2CCC(C)(C)O)CCN1CCOC ZINC001306621268 1069308760 /nfs/dbraw/zinc/30/87/60/1069308760.db2.gz XMQGFANBRBMFRK-FQEVSTJZSA-N 0 3 494.478 3.806 20 0 JHADHN O=C(N[C@@H](CN1CCCC1)c1ccccc1)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000031145079 563107823 /nfs/dbraw/zinc/10/78/23/563107823.db2.gz AUXAKKVQNNUGAN-QHCPKHFHSA-N 0 3 476.042 3.694 20 0 JHADHN c1csc(-c2csc3nc(CN4CCCCC4)nc(N4CC[C@@H]5NCCO[C@@H]5C4)c23)c1 ZINC001164390105 718824830 /nfs/dbraw/zinc/82/48/30/718824830.db2.gz MKHKHEYHCILVBP-ZWKOTPCHSA-N 0 3 455.653 3.973 20 0 JHADHN CNC(=O)CN1CCCC12CCN(c1cnc(Cl)nc1Oc1ccccc1Cl)CC2 ZINC001164689583 719751941 /nfs/dbraw/zinc/75/19/41/719751941.db2.gz IIXKQCQUTKTQPG-UHFFFAOYSA-N 0 3 450.370 3.757 20 0 JHADHN COC[C@@H]1CC2(C[N@@H+]1Cc1ccccn1)CCN(C(F)(F)c1cc(Cl)nc(=S)[n-]1)CC2 ZINC001164712141 720134443 /nfs/dbraw/zinc/13/44/43/720134443.db2.gz KOLTUQBSPUBHNC-INIZCTEOSA-N 0 3 469.989 3.866 20 0 JHADHN COC[C@@H]1CC2(C[N@H+]1Cc1ccccn1)CCN(C(F)(F)c1cc(Cl)nc(=S)[n-]1)CC2 ZINC001164712141 720134451 /nfs/dbraw/zinc/13/44/51/720134451.db2.gz KOLTUQBSPUBHNC-INIZCTEOSA-N 0 3 469.989 3.866 20 0 JHADHN c1cncc(CN2CC[C@@H]3[C@H]2CCN3c2nc(CN3CCOCC3)nc3sc4c(c32)CCCC4)c1 ZINC001164733433 720438258 /nfs/dbraw/zinc/43/82/58/720438258.db2.gz POZHHJXMXFYWOE-FGZHOGPDSA-N 0 3 490.677 3.651 20 0 JHADHN c1ccc(-c2cc(-c3ccccc3)nc(N3CCN4C[C@@H](Oc5cncnc5)C[C@@H]4C3)n2)cc1 ZINC001164738966 720662193 /nfs/dbraw/zinc/66/21/93/720662193.db2.gz LQRJLFGFLWYPFB-PKTZIBPZSA-N 0 3 450.546 3.943 20 0 JHADHN O=C(Nc1cccc(Cl)c1)c1ccc(N2CCN3C[C@@H](OCc4cccnc4)C[C@H]3C2)nc1 ZINC001164878928 721147014 /nfs/dbraw/zinc/14/70/14/721147014.db2.gz QVRFMEUPUUDBHH-GOTSBHOMSA-N 0 3 463.969 3.862 20 0 JHADHN Cn1cc(CN2CC[C@H]3CN(c4nc(CN5CCCCC5)nc5sc6c(c54)CCC6)C[C@@H]3C2)cn1 ZINC001164765055 721198991 /nfs/dbraw/zinc/19/89/91/721198991.db2.gz HOGQIFCILUMWMR-SFTDATJTSA-N 0 3 491.709 3.858 20 0 JHADHN Cn1cc(CN2CC[C@H]3CN(c4nc(CN5CCCCC5)nc5sc6c(c54)CCC6)C[C@H]3C2)cn1 ZINC001164765043 721200908 /nfs/dbraw/zinc/20/09/08/721200908.db2.gz HOGQIFCILUMWMR-LEWJYISDSA-N 0 3 491.709 3.858 20 0 JHADHN Cn1cc(CN2CC[C@@H]3CN([C@H](F)Oc4cccc(-c5ccc(Cl)nn5)c4)C[C@H]3C2)cn1 ZINC001164774490 721216773 /nfs/dbraw/zinc/21/67/73/721216773.db2.gz ZTVBURXFZSVZCW-PWHSHALESA-N 0 3 456.953 3.616 20 0 JHADHN CCOC(=O)c1cnc(-c2cccs2)nc1N1CCN2C[C@H](Oc3cccc(F)c3)C[C@@H]2C1 ZINC001164903014 721527808 /nfs/dbraw/zinc/52/78/08/721527808.db2.gz BURZBVURTIQYML-IEBWSBKVSA-N 0 3 468.554 3.863 20 0 JHADHN Fc1cccc(O[C@H]2C[C@H]3CN(c4ccc(-c5ccc6c(c5)OCCCO6)nn4)CCN3C2)c1 ZINC001164905899 721558683 /nfs/dbraw/zinc/55/86/83/721558683.db2.gz HXRGBDUUSSXIGD-UNMCSNQZSA-N 0 3 462.525 3.786 20 0 JHADHN O=C1NCCN(Cc2ccccc2)C12CCN(c1nc(N3CCCC3)cc3ccccc31)CC2 ZINC001164947677 721979357 /nfs/dbraw/zinc/97/93/57/721979357.db2.gz ILIXHXICELZCTC-UHFFFAOYSA-N 0 3 455.606 3.806 20 0 JHADHN COC(=O)c1nc(Cl)ccc1C(F)(F)N1CCC2(CC1)COCCN(Cc1ccncc1)C2 ZINC001164963197 722055431 /nfs/dbraw/zinc/05/54/31/722055431.db2.gz IEFTUHFXXSXTOO-UHFFFAOYSA-N 0 3 480.943 3.581 20 0 JHADHN CSc1nc(Cl)cc(C(F)(F)N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)n1 ZINC001164979934 722102703 /nfs/dbraw/zinc/10/27/03/722102703.db2.gz IJSUMTPQKVRXPO-CVEARBPZSA-N 0 3 455.962 3.519 20 0 JHADHN CCOC(=O)c1sc2nc(C)nc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)c2c1C ZINC001164976012 722139092 /nfs/dbraw/zinc/13/90/92/722139092.db2.gz GIGYJTKXSGVWDN-PMACEKPBSA-N 0 3 481.622 3.607 20 0 JHADHN c1cc2c(nc(-c3ccccn3)nc2N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)s1 ZINC001164976051 722151880 /nfs/dbraw/zinc/15/18/80/722151880.db2.gz GVSHKURHXHPTBY-DENIHFKCSA-N 0 3 458.591 3.876 20 0 JHADHN c1cc2c(nc(-c3ccncc3)nc2N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@H]3C2)s1 ZINC001164982700 722152245 /nfs/dbraw/zinc/15/22/45/722152245.db2.gz SEFAHLBGWCYMLE-IRLDBZIGSA-N 0 3 458.591 3.876 20 0 JHADHN CCC[C@H]1CN(c2nnc(-c3ccc(F)cc3Br)n2C[C@H](C)OC)CCN1CCOC ZINC001306621645 1069310699 /nfs/dbraw/zinc/31/06/99/1069310699.db2.gz DDBYXCHBMTXJBG-WMZOPIPTSA-N 0 3 498.441 3.819 20 0 JHADHN COC(=O)c1cnc(NC(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2c2ccc(OC)cc2)cc1C ZINC001311262288 1069311608 /nfs/dbraw/zinc/31/16/08/1069311608.db2.gz PJRDEFDCHVMHMJ-BJKOFHAPSA-N 0 3 474.561 3.975 20 0 JHADHN CCOC(=O)c1cn(CC)nc1NC(=O)N(CCN(C)C)Cc1cccc(C(F)(F)F)c1 ZINC001311312562 1069321615 /nfs/dbraw/zinc/32/16/15/1069321615.db2.gz OHPGTMGELIDBGW-UHFFFAOYSA-N 0 3 455.481 3.694 20 0 JHADHN CN(C)[C@H](CNC(=O)Nc1ccnc([C@@H]2CCCN2C(=O)OC(C)(C)C)n1)c1ccccc1 ZINC001311327296 1069325017 /nfs/dbraw/zinc/32/50/17/1069325017.db2.gz QLRWNMMYUQYUFM-RBUKOAKNSA-N 0 3 454.575 3.973 20 0 JHADHN CCC[C@@H]1CN(c2nnc(CC)n2Cc2ccc(-c3ccsc3)nc2)CCN1CCOC ZINC001306627879 1069325112 /nfs/dbraw/zinc/32/51/12/1069325112.db2.gz VZFYVZZKRILIKN-OAQYLSRUSA-N 0 3 454.644 3.949 20 0 JHADHN CCN1CCN(Cc2ccccc2CNC(=O)N[C@@H](C[C@@H]2CCOC2)c2ccccc2)CC1 ZINC001311357876 1069341756 /nfs/dbraw/zinc/34/17/56/1069341756.db2.gz NRBCLMCSVAVIEX-NVQXNPDNSA-N 0 3 450.627 3.791 20 0 JHADHN CCCCCn1c([C@@H](CC)c2ccccc2)nnc1N1CCN(C(=O)CN2CCCC2)CC1 ZINC001306642976 1069354212 /nfs/dbraw/zinc/35/42/12/1069354212.db2.gz ZOLFIHRSWTWWKL-QHCPKHFHSA-N 0 3 452.647 3.755 20 0 JHADHN CC[C@H](CNC(=O)N1C[C@H]2CCC[C@]2(NC(=O)OC(C)(C)C)C1)N1CCc2ccccc2C1 ZINC001311397636 1069361193 /nfs/dbraw/zinc/36/11/93/1069361193.db2.gz VLTCMGSFBUZTSI-DRLORSAXSA-N 0 3 456.631 3.912 20 0 JHADHN CCCCCn1c(COc2ccccc2CC)nnc1N1C[C@@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1 ZINC001306657031 1069369904 /nfs/dbraw/zinc/36/99/04/1069369904.db2.gz XFIQSKNPRXHPPB-RCZVLFRGSA-N 0 3 496.700 3.989 20 0 JHADHN O=C(NCCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1)N1CCO[C@@H]2CCC[C@@H]21 ZINC001311453163 1069385944 /nfs/dbraw/zinc/38/59/44/1069385944.db2.gz YPPLDCDBCGEFGS-LEWJYISDSA-N 0 3 454.537 3.571 20 0 JHADHN CCN(CC)[C@@H](CNC(=O)NC[C@@](O)(c1ccccc1)C(F)(F)F)c1cccc(OC)c1 ZINC001311469198 1069392788 /nfs/dbraw/zinc/39/27/88/1069392788.db2.gz JPXGEWWNSMEETF-RBBKRZOGSA-N 0 3 453.505 3.827 20 0 JHADHN O=C(NCc1ccc(COc2ccccc2)cc1)N[C@@H]1CCN(Cc2ccccc2)C[C@@H]1CO ZINC001311487002 1069400734 /nfs/dbraw/zinc/40/07/34/1069400734.db2.gz GEWMMXITNYXTIW-XNMGPUDCSA-N 0 3 459.590 3.948 20 0 JHADHN CCCCN(C)CCn1c(-c2cc(C)nc3ccccc32)nnc1N(CC)[C@@H]1CCS(=O)(=O)C1 ZINC001306681634 1069411245 /nfs/dbraw/zinc/41/12/45/1069411245.db2.gz PVKIYVBAIZTYQU-HXUWFJFHSA-N 0 3 484.670 3.547 20 0 JHADHN CCCCn1c(-c2ccc(C)c(Br)c2)nnc1N1CCN(C(=O)[C@@H]2CCCN2C)CC1 ZINC001306703122 1069439209 /nfs/dbraw/zinc/43/92/09/1069439209.db2.gz IUOYUULQZXDVIT-FQEVSTJZSA-N 0 3 489.462 3.559 20 0 JHADHN CN(C)[C@@H](CNC(=O)NCc1ccc(CNC(=O)OC(C)(C)C)cc1F)Cc1ccccc1 ZINC001311566883 1069440797 /nfs/dbraw/zinc/44/07/97/1069440797.db2.gz CEJFKKXFAYBHAP-OAQYLSRUSA-N 0 3 458.578 3.823 20 0 JHADHN CN(C)[C@H](CNC(=O)N1CCO[C@@H](c2cccc(OC(F)(F)F)c2)C1)Cc1ccccc1 ZINC001311571475 1069443252 /nfs/dbraw/zinc/44/32/52/1069443252.db2.gz LNCCYALURHMPOQ-PZJWPPBQSA-N 0 3 451.489 3.841 20 0 JHADHN O=C(NC[C@H](c1cccs1)N1CCCC1)N[C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O ZINC001311574053 1069445041 /nfs/dbraw/zinc/44/50/41/1069445041.db2.gz ARRJECXTEBGBPW-QZTJIDSGSA-N 0 3 450.967 3.782 20 0 JHADHN COc1cccc([C@H](CNC(=O)N[C@@H]2C[C@@H](OC(C)(C)C)[C@@H]2n2cccn2)N2CCCC2)c1 ZINC001311581444 1069448721 /nfs/dbraw/zinc/44/87/21/1069448721.db2.gz QOVDJZZTIKDPRM-KAOXLYBCSA-N 0 3 455.603 3.525 20 0 JHADHN C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCCN(C(=O)NCC2(N3CCSCC3)CCCC2)C1 ZINC001311583577 1069449814 /nfs/dbraw/zinc/44/98/14/1069449814.db2.gz KOGKTBKSIVJIKF-RTBURBONSA-N 0 3 454.681 3.683 20 0 JHADHN C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCCN(C(=O)NCC2(N3CCSCC3)CCCC2)C1 ZINC001311583575 1069449986 /nfs/dbraw/zinc/44/99/86/1069449986.db2.gz KOGKTBKSIVJIKF-OALUTQOASA-N 0 3 454.681 3.683 20 0 JHADHN CCCCN1CCCC[C@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N(C)[C@H](C)CS(C)(=O)=O ZINC001306724687 1069465833 /nfs/dbraw/zinc/46/58/33/1069465833.db2.gz ZCARKZYVXGQUPT-MJGOQNOKSA-N 0 3 483.082 3.517 20 0 JHADHN CCOC(=O)c1csc(CC2CCN(C(=O)NC[C@H](c3ccc(C)cc3)N(C)C)CC2)n1 ZINC001311743235 1069529971 /nfs/dbraw/zinc/52/99/71/1069529971.db2.gz CAJMKZRKTJNNOH-OAQYLSRUSA-N 0 3 458.628 3.895 20 0 JHADHN COc1ccc(F)cc1CN1CCN(C(=O)NC[C@H](c2ccc(C)cc2)N2CCCC2)CC1 ZINC001311767573 1069539232 /nfs/dbraw/zinc/53/92/32/1069539232.db2.gz WVEXSEJLGMJQQX-XMMPIXPASA-N 0 3 454.590 3.807 20 0 JHADHN CCc1nc(CN2CCC(CNC(=O)NC[C@@H](C)N3CCc4ccccc4C3)CC2)cs1 ZINC001311789811 1069545727 /nfs/dbraw/zinc/54/57/27/1069545727.db2.gz BCNQKYSRVMQBAT-LJQANCHMSA-N 0 3 455.672 3.664 20 0 JHADHN CSCC[C@H](NC(=O)c1ccco1)C(=O)Nc1cc(C)cc(N2CCN(C(C)C)CC2)c1 ZINC001306825354 1069645849 /nfs/dbraw/zinc/64/58/49/1069645849.db2.gz CLFIDQNHTFBFIP-NRFANRHFSA-N 0 3 458.628 3.609 20 0 JHADHN CCOc1ccc(-c2nnc(N3C[C@H](C)N(CC)C[C@H]3C)n2CC2=CCCOC2)cc1OC ZINC001314169639 1069677399 /nfs/dbraw/zinc/67/73/99/1069677399.db2.gz WJIJKRFKTLSFLX-RBUKOAKNSA-N 0 3 455.603 3.618 20 0 JHADHN O=C(NC[C@@H]1CCCN1Cc1ccccc1)N1CCN(C(=O)c2ccc(F)cc2Cl)CC1 ZINC001312023433 1069676509 /nfs/dbraw/zinc/67/65/09/1069676509.db2.gz FXYKJHCTGQCUTN-FQEVSTJZSA-N 0 3 458.965 3.611 20 0 JHADHN COc1ccc(OC)c(C2=NO[C@@H](C(=O)NCCNC(c3ccccc3)c3ccccc3)C2)c1 ZINC001306903195 1069679640 /nfs/dbraw/zinc/67/96/40/1069679640.db2.gz DEZZVFPPIBFWQN-RUZDIDTESA-N 0 3 459.546 3.692 20 0 JHADHN CCOC(=O)c1nc(NCCCCN2CCN(c3cccc(C)c3)CC2)cc(C(C)(C)C)n1 ZINC001306928040 1069684628 /nfs/dbraw/zinc/68/46/28/1069684628.db2.gz PARVYKYRVXECKG-UHFFFAOYSA-N 0 3 453.631 3.695 20 0 JHADHN CCOc1ccc(-c2nnc(N3CCN(C(C)(C)C)CC3)n2CCCc2c[nH]nc2C)cc1OC ZINC001314174709 1069699259 /nfs/dbraw/zinc/69/92/59/1069699259.db2.gz FULKFUROYMKZSK-UHFFFAOYSA-N 0 3 481.645 3.937 20 0 JHADHN CCOc1ccc(-c2nnc(N3CCS[C@@H](C)[C@@H]3C)n2CCN2CC=CCC2)cc1OC ZINC001314179245 1069718095 /nfs/dbraw/zinc/71/80/95/1069718095.db2.gz UFIOERKZGRWCOO-OALUTQOASA-N 0 3 457.644 3.945 20 0 JHADHN CC(C)(CNC(=O)NC[C@@H]1CCN1C1CCOCC1)Sc1ccc(Br)cc1 ZINC001312095864 1069718536 /nfs/dbraw/zinc/71/85/36/1069718536.db2.gz VJXSMPOYTYPNIU-KRWDZBQOSA-N 0 3 456.450 3.872 20 0 JHADHN CCOc1ccc([C@@H]2CCCN2c2nnc([C@H]3CCS(=O)(=O)C3)n2CCN(CC)C(C)C)cc1 ZINC001314179985 1069721529 /nfs/dbraw/zinc/72/15/29/1069721529.db2.gz ASJKTRFIDMOOGU-GMAHTHKFSA-N 0 3 489.686 3.651 20 0 JHADHN CCOc1ccc(CN(C)c2nnc([C@@H]3CCCCO3)n2C[C@H](C)N2CCN(CC)CC2)cc1 ZINC001314182864 1069730554 /nfs/dbraw/zinc/73/05/54/1069730554.db2.gz DKLLPKROQVBYED-URXFXBBRSA-N 0 3 470.662 3.581 20 0 JHADHN CCOc1ccc(Cn2c(C(=O)NC(CC)CC)nnc2N2C[C@@H](C)N(CC)C[C@@H]2C)cc1 ZINC001314185085 1069736521 /nfs/dbraw/zinc/73/65/21/1069736521.db2.gz DJQRDPDVURHBNI-MOPGFXCFSA-N 0 3 456.635 3.562 20 0 JHADHN C[C@H](NC(=O)N1CCC(C(=O)NCCN(C)Cc2ccccc2)CC1)[C@@H](C)c1ccccc1 ZINC001312153424 1069751779 /nfs/dbraw/zinc/75/17/79/1069751779.db2.gz LDHHWGUICWFDGD-YADHBBJMSA-N 0 3 450.627 3.848 20 0 JHADHN O=C(NCc1ccccc1CN1CCC(O)CC1)N(Cc1cccc(F)c1)C[C@@H]1CCCO1 ZINC001312203733 1069778970 /nfs/dbraw/zinc/77/89/70/1069778970.db2.gz FSLZXDYAWZDZRO-VWLOTQADSA-N 0 3 455.574 3.673 20 0 JHADHN CC1CCC(N2CCN(C(=O)NCc3nnc4c(Cl)cc(C(F)(F)F)cn34)CC2)CC1 ZINC001312208532 1069783454 /nfs/dbraw/zinc/78/34/54/1069783454.db2.gz YAEYVDJLNHZRBB-UHFFFAOYSA-N 0 3 458.916 3.807 20 0 JHADHN COc1ccc(Cl)cc1NC(=O)CCNC(=O)N1CCCN(Cc2ccccc2C)CC1 ZINC001312206720 1069782146 /nfs/dbraw/zinc/78/21/46/1069782146.db2.gz 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CCOc1ccccc1OCc1nnc(N2C[C@H](C)N(CC)C[C@@H]2C)n1C[C@@]1(O)CCC[C@H]1C ZINC001314217983 1069856473 /nfs/dbraw/zinc/85/64/73/1069856473.db2.gz QZLWIGZXHVAQNT-FUSMBFRDSA-N 0 3 471.646 3.726 20 0 JHADHN C[C@@H]1CN(Cc2ccccc2)C[C@H]1NC(=O)N1CCCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC001312457780 1069951565 /nfs/dbraw/zinc/95/15/65/1069951565.db2.gz VPDZCKUVEYOYAK-AUSIDOKSSA-N 0 3 455.002 3.718 20 0 JHADHN NC(=O)c1c(NC(=O)CCN(Cc2cccc(F)c2)C[C@H]2CCCO2)sc2c1CCCC2 ZINC001307441531 1069986053 /nfs/dbraw/zinc/98/60/53/1069986053.db2.gz FVPAMCVSJXZSDF-GOSISDBHSA-N 0 3 459.587 3.875 20 0 JHADHN CCOc1ccc(NC(=O)CN2C[C@@H](C)CCC[C@H]2C)cc1S(=O)(=O)N1CCCCC1 ZINC001307478924 1070007333 /nfs/dbraw/zinc/00/73/33/1070007333.db2.gz MKCAAAWMUGQAKI-RBUKOAKNSA-N 0 3 451.633 3.709 20 0 JHADHN CCO[C@H]1CCCN(c2nnc(C(C)(C)C)n2C[C@@H]2CN(Cc3ccccc3)CCCO2)C1 ZINC001314268371 1070020668 /nfs/dbraw/zinc/02/06/68/1070020668.db2.gz NDHLWXBDPVWVHH-GOTSBHOMSA-N 0 3 455.647 3.872 20 0 JHADHN CCN(CC(=O)NCc1ccc(COC)cc1)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC001307529053 1070037055 /nfs/dbraw/zinc/03/70/55/1070037055.db2.gz MGPKRNDPIAQPIT-UHFFFAOYSA-N 0 3 453.631 3.662 20 0 JHADHN CCn1c2nnc(CNC(C)(C)Cc3ccc(Br)cc3)n2c2ccccc2c1=O ZINC001307553836 1070049106 /nfs/dbraw/zinc/04/91/06/1070049106.db2.gz UMGLWOGEOHTCFY-UHFFFAOYSA-N 0 3 454.372 3.938 20 0 JHADHN Cc1ccc(-c2noc([C@@H](C)N3CCN(C(=O)NC[C@H]4N(C)CCCC4(C)C)CC3)n2)cc1 ZINC001312647851 1070061502 /nfs/dbraw/zinc/06/15/02/1070061502.db2.gz HJLBDHKQYUWWJA-TZIWHRDSSA-N 0 3 454.619 3.554 20 0 JHADHN C[C@@H](NC(=O)N1C[C@@H](C(F)(F)F)[C@H](NC(=O)OC(C)(C)C)C1)[C@@H](c1ccccc1)N(C)C ZINC001312660442 1070067952 /nfs/dbraw/zinc/06/79/52/1070067952.db2.gz ODJIDOCXWVYFBY-DDBAPUKQSA-N 0 3 458.525 3.775 20 0 JHADHN C[C@H](NC(=O)N1C[C@@H](C(F)(F)F)[C@H](NC(=O)OC(C)(C)C)C1)[C@@H](c1ccccc1)N(C)C ZINC001312660445 1070068125 /nfs/dbraw/zinc/06/81/25/1070068125.db2.gz ODJIDOCXWVYFBY-HPBDAGMYSA-N 0 3 458.525 3.775 20 0 JHADHN CC(C)n1cnnc1[C@@H]1CCCN(C[C@H](O)[C@H](Cc2ccccc2)NC(=O)OC(C)(C)C)C1 ZINC001307595333 1070071677 /nfs/dbraw/zinc/07/16/77/1070071677.db2.gz AYMBLXQDLHUOQW-FSSWDIPSSA-N 0 3 457.619 3.535 20 0 JHADHN CC[C@H](C)N[C@H](CNC(=O)N1CCC([C@@H]2OCC[C@H]2NC(=O)OC(C)(C)C)CC1)c1ccco1 ZINC001312679484 1070078576 /nfs/dbraw/zinc/07/85/76/1070078576.db2.gz ZAPUCQGDKCXSQA-RYTRXMBJSA-N 0 3 478.634 3.813 20 0 JHADHN Cc1cccc(COc2ccc([C@@H](C)N[C@@H](C)C(=O)N3CCN(c4ncccn4)CC3)cc2)c1 ZINC001307610050 1070080688 /nfs/dbraw/zinc/08/06/88/1070080688.db2.gz GPQSUTJWCLIFTL-YADHBBJMSA-N 0 3 459.594 3.752 20 0 JHADHN CC(C)(C)[C@@H](COc1ccccc1F)NCC(=O)Nc1cc(S(C)(=O)=O)ccc1Cl ZINC001307617569 1070083738 /nfs/dbraw/zinc/08/37/38/1070083738.db2.gz SXNICUWAHJMRES-LJQANCHMSA-N 0 3 456.967 3.904 20 0 JHADHN C[C@@H](N[C@H]1CCN(CC(=O)OC(C)(C)C)C1=O)c1ccc(NC(=O)c2ccc(F)cc2)cc1 ZINC001307624422 1070087172 /nfs/dbraw/zinc/08/71/72/1070087172.db2.gz YLGNBQQCOBKMRT-IERDGZPVSA-N 0 3 455.530 3.671 20 0 JHADHN C[C@@H]1[C@@H](C)N(CC(=O)N[C@H](c2ccccc2)c2ccc3[nH]c(C(F)(F)F)nc3c2)CCN1C ZINC001307632232 1070090957 /nfs/dbraw/zinc/09/09/57/1070090957.db2.gz VQNNDYSDVDNJIR-XCGNWRKASA-N 0 3 459.516 3.812 20 0 JHADHN C[C@@H]1[C@@H](C)N(CC(=O)N[C@H](c2ccccc2)c2ccc3nc(C(F)(F)F)[nH]c3c2)CCN1C ZINC001307632232 1070090970 /nfs/dbraw/zinc/09/09/70/1070090970.db2.gz VQNNDYSDVDNJIR-XCGNWRKASA-N 0 3 459.516 3.812 20 0 JHADHN CN(C)C[C@H](NC(=O)N[C@@H]1CCc2nc(-c3ccc(F)cc3F)cn2C1)c1ccc(F)cc1 ZINC001312733842 1070097388 /nfs/dbraw/zinc/09/73/88/1070097388.db2.gz MTCKMQPVJAZVEZ-NQIIRXRSSA-N 0 3 457.500 3.884 20 0 JHADHN CCN1CCN(c2ccc(F)cc2[C@@H](C)NCC(=O)N(C)[C@H](C)c2ccccc2OC)CC1 ZINC001307642127 1070097597 /nfs/dbraw/zinc/09/75/97/1070097597.db2.gz KPKOSDLUJWBVJN-WOJBJXKFSA-N 0 3 456.606 3.846 20 0 JHADHN CSc1ccc([C@H](CNC(=O)N2CC[C@@H](F)[C@H](NC(=O)OC(C)(C)C)C2)N(C)C)cc1 ZINC001312753784 1070104498 /nfs/dbraw/zinc/10/44/98/1070104498.db2.gz OOBNUOOMFVOCCY-QRVBRYPASA-N 0 3 454.612 3.658 20 0 JHADHN CCOCc1nnc(N2C[C@H](C)N(CC)C[C@H]2C)n1Cc1ccnc(OC2CCCCC2)c1 ZINC001314320336 1070104693 /nfs/dbraw/zinc/10/46/93/1070104693.db2.gz CKKUJDHMFRGOJG-VQTJNVASSA-N 0 3 456.635 3.888 20 0 JHADHN CCOCc1nnc(N2CCC(=Cc3cccc(OC)c3)CC2)n1C[C@H](C)N1CCN(CC)CC1 ZINC001314323992 1070109736 /nfs/dbraw/zinc/10/97/36/1070109736.db2.gz AJIIBSWAOXZZKZ-QFIPXVFZSA-N 0 3 482.673 3.533 20 0 JHADHN COC(=O)/C=C1\SCC(=O)N1CCCN1CC=C(c2cccc(Br)c2)CC1 ZINC001307662920 1070109797 /nfs/dbraw/zinc/10/97/97/1070109797.db2.gz NJTQMEMNYVRZTC-UYRXBGFRSA-N 0 3 451.386 3.518 20 0 JHADHN Cc1nn(-c2ccccc2)c(C)c1NC(=O)CCN[C@H](CO)c1cccc(Br)c1 ZINC001307678895 1070120565 /nfs/dbraw/zinc/12/05/65/1070120565.db2.gz KJQQEYFFLGASNN-HXUWFJFHSA-N 0 3 457.372 3.903 20 0 JHADHN C[C@H](CN(C)Cc1ccccc1)NC(=O)N1CCN(C(=O)c2cc3ccccc3s2)CC1 ZINC001312797425 1070127344 /nfs/dbraw/zinc/12/73/44/1070127344.db2.gz LIWRFFIVDYSFCY-LJQANCHMSA-N 0 3 450.608 3.889 20 0 JHADHN CCOCc1nnc(N2CCC(c3ccnn3C)CC2)n1C[C@H](c1ccc(C)cc1)N(C)C ZINC001314341494 1070140216 /nfs/dbraw/zinc/14/02/16/1070140216.db2.gz XNIQUFCRYMQGAD-HSZRJFAPSA-N 0 3 451.619 3.543 20 0 JHADHN COc1cc(OC)cc(C2(F)CCN(C[C@]3(O)CCCN(C(=O)OC(C)(C)C)C3)CC2)c1 ZINC001307720938 1070145997 /nfs/dbraw/zinc/14/59/97/1070145997.db2.gz BTUIJAVEFSOJQF-HSZRJFAPSA-N 0 3 452.567 3.726 20 0 JHADHN CCOCc1nnc(N2CCC(Cn3cc(C)cn3)CC2)n1C[C@H](c1ccccc1)N(C)C ZINC001314342676 1070144175 /nfs/dbraw/zinc/14/41/75/1070144175.db2.gz WWTXNRCMUFJQNK-HSZRJFAPSA-N 0 3 451.619 3.539 20 0 JHADHN CCOCc1nnc(N2CCC(O)(C(F)(F)F)CC2)n1C[C@H](c1ccc(OC)cc1)N1CCCC1 ZINC001314346016 1070151254 /nfs/dbraw/zinc/15/12/54/1070151254.db2.gz CXPHHEWYJNRZAT-HXUWFJFHSA-N 0 3 497.562 3.554 20 0 JHADHN C[C@@H](NC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1c1cccc(F)c1)C(=O)NCc1ccccc1 ZINC001312840182 1070149925 /nfs/dbraw/zinc/14/99/25/1070149925.db2.gz RXTJVVUHZGKLBW-RFLWCCGPSA-N 0 3 474.580 3.798 20 0 JHADHN CC(C)(C)OC(=O)NCc1cn([C@@H]2CCCN(CCOc3ccc(F)c(Cl)c3)C2)nn1 ZINC001307818550 1070198555 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CCCOc1ncccc1Cn1c(CC(C)(C)C)nnc1N1CCN(CC2CCOCC2)CC1 ZINC001313519803 1070584663 /nfs/dbraw/zinc/58/46/63/1070584663.db2.gz INICKCXTFLCBRE-UHFFFAOYSA-N 0 3 470.662 3.647 20 0 JHADHN C[C@@H](NC1(CNS(=O)(=O)c2ccc(Br)cc2)CCOCC1)c1ccccc1 ZINC001309183003 1070590220 /nfs/dbraw/zinc/59/02/20/1070590220.db2.gz IBHQADYZPIMDCA-MRXNPFEDSA-N 0 3 453.402 3.627 20 0 JHADHN C[C@H](NC1(CNS(=O)(=O)c2ccc(Br)cc2)CCOCC1)c1ccccc1 ZINC001309183001 1070590255 /nfs/dbraw/zinc/59/02/55/1070590255.db2.gz IBHQADYZPIMDCA-INIZCTEOSA-N 0 3 453.402 3.627 20 0 JHADHN CCCO[C@@H]1CCCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](c2ccc(C)cc2)N(C)C)CC1 ZINC001313529355 1070609583 /nfs/dbraw/zinc/60/95/83/1070609583.db2.gz RPRAUVFTGKXSAS-DNVJHFABSA-N 0 3 468.646 3.626 20 0 JHADHN CCS[C@@H]1CCCCN(c2nnc(C(C)(C)C)n2CCCN2CCC[C@H]2C(=O)N(C)C)C1 ZINC001314592613 1070626004 /nfs/dbraw/zinc/62/60/04/1070626004.db2.gz RKJBHOROGKFAAO-UXHICEINSA-N 0 3 464.724 3.630 20 0 JHADHN 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CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccccc3OC)n2CC2(CC)CCC2)CC1 ZINC001313700422 1070977333 /nfs/dbraw/zinc/97/73/33/1070977333.db2.gz XNKCWKLSPONYNV-UHFFFAOYSA-N 0 3 468.646 3.524 20 0 JHADHN CN(Cc1cccc(C(F)(F)F)c1)c1nnc(C(=O)N2CCCC2)n1CCN1CCCCC1 ZINC001314741002 1070977805 /nfs/dbraw/zinc/97/78/05/1070977805.db2.gz IOYZMEVJQKSWLG-UHFFFAOYSA-N 0 3 464.536 3.655 20 0 JHADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@H]3CCCCO3)n2C[C@H](C)c2ccc(C)cc2)CC1 ZINC001313702159 1070983426 /nfs/dbraw/zinc/98/34/26/1070983426.db2.gz AIGSAJVNQHNNAX-LADGPHEKSA-N 0 3 482.673 3.622 20 0 JHADHN CCN(CC)CC(=O)N1CCN(c2nnc([C@H]3CCCCO3)n2Cc2cccc(Cl)c2C)CC1 ZINC001313703929 1070988806 /nfs/dbraw/zinc/98/88/06/1070988806.db2.gz JWWIRALURXFTRL-JOCHJYFZSA-N 0 3 489.064 3.520 20 0 JHADHN CN(C)[C@@]1(Cn2c(C(=O)NCc3ccc(Cl)cc3)nnc2N(C)Cc2ccco2)CCSC1 ZINC001314754805 1071008346 /nfs/dbraw/zinc/00/83/46/1071008346.db2.gz MPEOXUXQSYAOGO-HSZRJFAPSA-N 0 3 489.045 3.528 20 0 JHADHN CN(C(=O)c1ccc(NC(=O)NC[C@@H]2CCCN2Cc2ccccc2)cc1)C1CCOCC1 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CCN1C[C@H](C)N(c2nnc([C@@H]3CCCOC3)n2Cc2cccc(C(F)(F)F)n2)C[C@H]1C ZINC001313868003 1071401723 /nfs/dbraw/zinc/40/17/23/1071401723.db2.gz LPGPLYUSWCGNHP-IXDOHACOSA-N 0 3 452.525 3.553 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(Cc3csc(C)n3)n2C[C@](C)(O)C2CCCCC2)C[C@@H]1C ZINC001313868383 1071403446 /nfs/dbraw/zinc/40/34/46/1071403446.db2.gz MTUSLVDTFWNQPE-XFAGBWLFSA-N 0 3 460.692 3.884 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(CCc3ccc(OC)cc3)n2CC2(SC)CCOCC2)C[C@H]1C ZINC001313869383 1071408243 /nfs/dbraw/zinc/40/82/43/1071408243.db2.gz PDBLHOHUIBGSBW-RTWAWAEBSA-N 0 3 487.714 3.903 20 0 JHADHN CCN1C[C@H](C)N(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCOC(C)C)C[C@@H]1C ZINC001313870308 1071412542 /nfs/dbraw/zinc/41/25/42/1071412542.db2.gz QINFTPQQQIJEFY-PCCBWWKXSA-N 0 3 478.682 3.737 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3ccccc3Cl)n2CCN2CCOC(C)(C)C2)C[C@@H]1C ZINC001313870091 1071412613 /nfs/dbraw/zinc/41/26/13/1071412613.db2.gz FNDMSCPOSWEFPJ-OALUTQOASA-N 0 3 461.054 3.628 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(Cc3ccc(Cl)cc3)n2C[C@H](C(C)C)N2CCOCC2)C[C@@H]1C ZINC001313870587 1071414040 /nfs/dbraw/zinc/41/40/40/1071414040.db2.gz DWVUICDEGXRCQL-AWRGLXIESA-N 0 3 489.108 3.798 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(Cc3ccc(Cl)cc3)n2C[C@@H](C(C)C)N2CCOCC2)C[C@H]1C ZINC001313870588 1071414310 /nfs/dbraw/zinc/41/43/10/1071414310.db2.gz DWVUICDEGXRCQL-DPLHUUCSSA-N 0 3 489.108 3.798 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(-c3ccc[nH]3)n2Cc2ccc(NC(=O)NC(C)C)cc2)C[C@@H]1C ZINC001313871648 1071415839 /nfs/dbraw/zinc/41/58/39/1071415839.db2.gz GWBPVSXORZTZKQ-RBUKOAKNSA-N 0 3 464.618 3.770 20 0 JHADHN CCN1C[C@H](C)N(c2nnc([C@H]3COCCN3C(=O)OC(C)(C)C)n2CCCCSC)C[C@@H]1C ZINC001313871862 1071418158 /nfs/dbraw/zinc/41/81/58/1071418158.db2.gz UBMUZXAJZDYUET-SLFFLAALSA-N 0 3 496.722 3.649 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3cn(C)c4ccccc34)n2CCN(C)CC(F)(F)F)C[C@H]1C ZINC001313871751 1071418202 /nfs/dbraw/zinc/41/82/02/1071418202.db2.gz HWNMSRUNNHOSFQ-MSOLQXFVSA-N 0 3 477.579 3.850 20 0 JHADHN 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CCN1C[C@H](C)N(c2nnc(COc3ccccc3F)n2C[C@@](C)(O)c2ccsc2)C[C@@H]1C ZINC001313872431 1071421060 /nfs/dbraw/zinc/42/10/60/1071421060.db2.gz ANIPNLHSBOITNY-LLJLJFOGSA-N 0 3 473.618 3.884 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(CC(C)(C)C)n2Cc2ccccc2CN2CCCC2=O)C[C@H]1C ZINC001313872261 1071421147 /nfs/dbraw/zinc/42/11/47/1071421147.db2.gz VWDIXHMGVLWKCA-NHCUHLMSSA-N 0 3 466.674 3.956 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(CC(C)(C)C)n2Cc2cc(OC)c(OC)c(OC)c2)C[C@@H]1C ZINC001313872827 1071422999 /nfs/dbraw/zinc/42/29/99/1071422999.db2.gz XNRPVYRMVRHFPA-ZWKOTPCHSA-N 0 3 459.635 3.860 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(Cc3cccnc3)n2Cc2ccc(OC(F)F)cc2)C[C@H]1C ZINC001313873240 1071424868 /nfs/dbraw/zinc/42/48/68/1071424868.db2.gz KJQIYGAOJNCWBS-MSOLQXFVSA-N 0 3 456.541 3.833 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(Cc3ccncc3)n2Cc2ccnc(C(F)(F)F)c2)C[C@H]1C ZINC001313873758 1071426467 /nfs/dbraw/zinc/42/64/67/1071426467.db2.gz MCXKUQPTBRWOKW-IAGOWNOFSA-N 0 3 459.520 3.645 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(COc3ccc(OC)cc3)n2CC2(CC)CCOCC2)C[C@@H]1C ZINC001313874808 1071430459 /nfs/dbraw/zinc/43/04/59/1071430459.db2.gz KGZSUUFZVOYVSY-LEWJYISDSA-N 0 3 471.646 3.991 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(Cc3c(F)cccc3F)n2CC2(COC)CCOCC2)C[C@@H]1C ZINC001313874961 1071431129 /nfs/dbraw/zinc/43/11/29/1071431129.db2.gz PKDJRPYPSXYURG-OALUTQOASA-N 0 3 477.600 3.509 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(Cc3c(F)cccc3F)n2CCCOC(F)(F)F)C[C@H]1C ZINC001313874853 1071431252 /nfs/dbraw/zinc/43/12/52/1071431252.db2.gz OKMPAVAVNALIAZ-CABCVRRESA-N 0 3 461.479 3.993 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(Cc3c(F)cccc3F)n2CCCOC(F)(F)F)C[C@H]1C ZINC001313874856 1071431286 /nfs/dbraw/zinc/43/12/86/1071431286.db2.gz OKMPAVAVNALIAZ-HUUCEWRRSA-N 0 3 461.479 3.993 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3cccnc3)n2Cc2c(Cl)c(C(F)(F)F)nn2C)C[C@@H]1C ZINC001313875166 1071431446 /nfs/dbraw/zinc/43/14/46/1071431446.db2.gz RBEOVLFJTAIEPG-KBPBESRZSA-N 0 3 482.942 3.713 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(Cc3c(F)cccc3F)n2CCCOCC2CCOCC2)C[C@H]1C ZINC001313875373 1071433762 /nfs/dbraw/zinc/43/37/62/1071433762.db2.gz QEPVESXYBAFNBR-UXHICEINSA-N 0 3 491.627 3.899 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(COc3ccc(C)c(C)c3)n2Cc2snnc2C)C[C@H]1C ZINC001313876993 1071439843 /nfs/dbraw/zinc/43/98/43/1071439843.db2.gz QAJODEGOSROPQS-QZTJIDSGSA-N 0 3 455.632 3.601 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3ccccc3C)n2CC[C@H](N2CCOCC2)C(F)(F)F)C[C@@H]1C ZINC001313878490 1071445402 /nfs/dbraw/zinc/44/54/02/1071445402.db2.gz YPAYYGGUFVHKSE-ONTIZHBOSA-N 0 3 494.606 3.826 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(CNC(=O)c3cccs3)n2Cc2sccc2C)C[C@H]1C ZINC001313879105 1071446756 /nfs/dbraw/zinc/44/67/56/1071446756.db2.gz XTNJAQMOZHJGFD-IAGOWNOFSA-N 0 3 458.657 3.607 20 0 JHADHN CCN1C[C@H](C)N(c2nnc([C@H]3CCCO3)n2CCc2nc(C(F)(F)F)cs2)C[C@H]1C ZINC001313884082 1071463292 /nfs/dbraw/zinc/46/32/92/1071463292.db2.gz KUIHSHLQWDZRGR-QLFBSQMISA-N 0 3 458.554 3.767 20 0 JHADHN CNC(=O)[C@]1(C)CCN(c2nnc(-c3ccccc3Cl)n2C[C@H](c2cccs2)N(C)C)C1 ZINC001314973757 1071462733 /nfs/dbraw/zinc/46/27/33/1071462733.db2.gz MRYQUBDDVFONIH-WZONZLPQSA-N 0 3 473.046 3.925 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(COc3ccccc3OC)n2Cc2cnn(CC(C)C)c2C)C[C@H]1C ZINC001313885869 1071468150 /nfs/dbraw/zinc/46/81/50/1071468150.db2.gz QRPAJWKOPLFQDT-NHCUHLMSSA-N 0 3 495.672 3.994 20 0 JHADHN CCN1CC[C@H](Cn2c(-c3cc4c(s3)CCCCC4)nnc2N(C)[C@@H](C)CS(=O)(=O)CC)C1 ZINC001313888048 1071476090 /nfs/dbraw/zinc/47/60/90/1071476090.db2.gz FZOZTPNMIBBKME-OALUTQOASA-N 0 3 493.743 3.877 20 0 JHADHN CCN1C[C@H](C)N(c2nnc([C@H]3OCC[C@H]3COC)n2CCOC2CCCCCC2)C[C@H]1C ZINC001313889401 1071480105 /nfs/dbraw/zinc/48/01/05/1071480105.db2.gz YBORVWUJEFAQKB-FBPBVXOASA-N 0 3 463.667 3.660 20 0 JHADHN CCN1CCCC[C@H]1Cn1c(C(=O)Nc2ccc(C)c(C)c2)nnc1N1C[C@H](OC)C(C)(C)C1 ZINC001313903953 1071516510 /nfs/dbraw/zinc/51/65/10/1071516510.db2.gz GFMUWOKIXCROSQ-VXKWHMMOSA-N 0 3 468.646 3.883 20 0 JHADHN CCN1CCCC[C@@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CC[C@@H](C)[C@H](OC)C1 ZINC001313907247 1071527345 /nfs/dbraw/zinc/52/73/45/1071527345.db2.gz ZYEJFXLBGNALFA-STZQEDGTSA-N 0 3 489.064 3.597 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(-c3ccc(Br)cc3)nnc2N2CCC(F)(F)C2)CC1 ZINC001313919522 1071557657 /nfs/dbraw/zinc/55/76/57/1071557657.db2.gz CGCYCJWSBSOPOV-INIZCTEOSA-N 0 3 483.405 3.579 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(-c3cccc(OC(F)F)c3)nnc2N2CCC[C@H]2CSC)CC1 ZINC001313920695 1071559412 /nfs/dbraw/zinc/55/94/12/1071559412.db2.gz LORUHLZVPIILAB-QUCCMNQESA-N 0 3 494.656 3.904 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(-c3cc(OC)ccc3Br)nnc2N2CC=CCC2)CC1 ZINC001313920479 1071558685 /nfs/dbraw/zinc/55/86/85/1071558685.db2.gz JKPDAXWYLVGNNS-GOSISDBHSA-N 0 3 489.462 3.509 20 0 JHADHN CCN1CCN([C@H](C)Cn2c([C@@H](C)Oc3ccccc3F)nnc2N(C)Cc2ccccn2)CC1 ZINC001313921201 1071561422 /nfs/dbraw/zinc/56/14/22/1071561422.db2.gz OZGNEUYOXBEYMK-NHCUHLMSSA-N 0 3 481.620 3.615 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(-c3cccc(Br)c3)nnc2N(C)CCC2CC2)CC1 ZINC001313922364 1071564421 /nfs/dbraw/zinc/56/44/21/1071564421.db2.gz WGYHVTRWIDKAPJ-SFHVURJKSA-N 0 3 475.479 3.970 20 0 JHADHN CNC(=O)CCCN(C)c1nnc([C@@H]2CCO[C@H]2C(C)(C)C)n1C[C@H](c1ccc(C)cc1)N(C)C ZINC001315034423 1071566478 /nfs/dbraw/zinc/56/64/78/1071566478.db2.gz MHCAKJSOWXPKSK-CQOQZXRMSA-N 0 3 484.689 3.770 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(-c3ccc(Cl)nc3)nnc2N2CCC(C(F)(F)F)CC2)CC1 ZINC001313924450 1071570852 /nfs/dbraw/zinc/57/08/52/1071570852.db2.gz GFSQFUZQBUXYDF-INIZCTEOSA-N 0 3 485.986 3.798 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(N3CCO[C@@H](c4ccccc4Cl)C3)nnc2C(C)(C)C)CC1 ZINC001313926175 1071575556 /nfs/dbraw/zinc/57/55/56/1071575556.db2.gz ATPBUMWZHNISDD-DENIHFKCSA-N 0 3 475.081 3.833 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(-c3ccc(OC)cc3)nnc2N2CCCC[C@@H](SC)C2)CC1 ZINC001313925035 1071571989 /nfs/dbraw/zinc/57/19/89/1071571989.db2.gz LIWVEHDABAKMHH-NZQKXSOJSA-N 0 3 472.703 3.702 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(-c3ccccc3F)nnc2N(C)C[C@H](C)c2nccs2)CC1 ZINC001313925369 1071573572 /nfs/dbraw/zinc/57/35/72/1071573572.db2.gz PDOATOWCVUBGEV-RBUKOAKNSA-N 0 3 471.650 3.807 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(Cc3ccccc3F)nnc2N(C)C[C@@H]2CC=CCC2)CC1 ZINC001313927355 1071579792 /nfs/dbraw/zinc/57/97/92/1071579792.db2.gz JWMVXVZLZFFGTI-FCHUYYIVSA-N 0 3 454.638 3.827 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(-c3cccc(C)n3)nnc2N(C)C[C@H](C)c2ccccc2)CC1 ZINC001313927721 1071581364 /nfs/dbraw/zinc/58/13/64/1071581364.db2.gz JUAOKIBDSLSTOO-GMAHTHKFSA-N 0 3 461.658 3.914 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(COc3ccc(Cl)cc3)nnc2N2CCC(C)CC2)CC1 ZINC001313927545 1071580493 /nfs/dbraw/zinc/58/04/93/1071580493.db2.gz MANQHYSUQNYPDU-HXUWFJFHSA-N 0 3 461.054 3.773 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(CSc3ccccc3OC)nnc2N2CCCCCC2)CC1 ZINC001313928130 1071582411 /nfs/dbraw/zinc/58/24/11/1071582411.db2.gz QPLNKMQBYDLXEA-OAQYLSRUSA-N 0 3 472.703 3.985 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(CC(C)(C)C)nnc2N2CCc3cc(F)cc(F)c3C2)CC1 ZINC001313928619 1071584388 /nfs/dbraw/zinc/58/43/88/1071584388.db2.gz MKQVJPCXHBOPAH-SFHVURJKSA-N 0 3 460.617 3.734 20 0 JHADHN CCN(c1nnc(COc2ccc(F)cc2)n1C[C@H](C)N1CCN(CC)CC1)C1CCCC1 ZINC001313928740 1071584690 /nfs/dbraw/zinc/58/46/90/1071584690.db2.gz VXGGSRFTZYMOEI-FQEVSTJZSA-N 0 3 458.626 3.791 20 0 JHADHN CCN1CCN([C@H](C)Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCS[C@@H](C(C)C)C2)CC1 ZINC001313929010 1071585250 /nfs/dbraw/zinc/58/52/50/1071585250.db2.gz WZSSOVUIWGVIBK-SSGKUCQKSA-N 0 3 492.778 3.801 20 0 JHADHN CCN1CCN([C@H]2CCN(c3nnc(Cc4ccccc4F)n3CCSCC(C)C)C2)CC1 ZINC001313949205 1071635857 /nfs/dbraw/zinc/63/58/57/1071635857.db2.gz KMAORILTWOZAJC-QFIPXVFZSA-N 0 3 474.694 3.613 20 0 JHADHN CCN1CCN([C@@H]2CCN(c3nnc(Cc4ccc(Cl)cc4)n3C[C@H](OC)C(C)(C)C)C2)CC1 ZINC001313949671 1071636826 /nfs/dbraw/zinc/63/68/26/1071636826.db2.gz NRKCOVFGENWZNC-PKTZIBPZSA-N 0 3 489.108 3.800 20 0 JHADHN CCN1CCN(C[C@H](C)Cn2c(Cc3ccc(Cl)cc3)nnc2N(C)CC2CC(F)C2)CC1 ZINC001313955455 1071655459 /nfs/dbraw/zinc/65/54/59/1071655459.db2.gz HQIVOTQIJXFYHF-YGWXTMFKSA-N 0 3 477.072 3.980 20 0 JHADHN CCN1CCN(C[C@H](C)Cn2c(Cc3ccsc3)nnc2N2CCO[C@](C)(C(C)(C)C)C2)CC1 ZINC001313957954 1071662421 /nfs/dbraw/zinc/66/24/21/1071662421.db2.gz SRTWGGXVOZBXKH-LVXARBLLSA-N 0 3 488.746 3.845 20 0 JHADHN CCN1CCN(CCCn2c([C@H]3CCCCO3)nnc2N(C)Cc2cc(F)c(F)c(F)c2)CC1 ZINC001313956156 1071657464 /nfs/dbraw/zinc/65/74/64/1071657464.db2.gz BJCNAKLOJRCAQS-OAQYLSRUSA-N 0 3 480.579 3.601 20 0 JHADHN CCN1CCN(C[C@H](C)Cn2c(CC(C)(C)C)nnc2N2CCc3ccc(OC)cc3C2)CC1 ZINC001313957967 1071662436 /nfs/dbraw/zinc/66/24/36/1071662436.db2.gz SXDJOCFFCVTINS-NRFANRHFSA-N 0 3 468.690 3.712 20 0 JHADHN CCN1CCN(CCCn2c([C@H]3CCCOC3)nnc2N(C)[C@H](C)c2ccccc2F)CC1 ZINC001313956768 1071658091 /nfs/dbraw/zinc/65/80/91/1071658091.db2.gz KUMVMHCDUUCMNW-RTWAWAEBSA-N 0 3 458.626 3.536 20 0 JHADHN CCN1CCN(CCCn2c([C@@H]3CCCOC3)nnc2N(C)Cc2ccccc2C(F)(F)F)CC1 ZINC001313957116 1071659575 /nfs/dbraw/zinc/65/95/75/1071659575.db2.gz PUJCAOIDSJIPHD-OAQYLSRUSA-N 0 3 494.606 3.855 20 0 JHADHN CCN1CCN(C[C@H](C)Cn2c(Cc3ccsc3)nnc2N(C)Cc2ccccc2)CC1 ZINC001313959119 1071665856 /nfs/dbraw/zinc/66/58/56/1071665856.db2.gz ZSVVSOOOENOLRC-NRFANRHFSA-N 0 3 452.672 3.840 20 0 JHADHN CCN1CCN(CCCn2c(Cc3ccc(Cl)cc3)nnc2N2CC(C)(C)OC[C@@H]2C)CC1 ZINC001313959822 1071667990 /nfs/dbraw/zinc/66/79/90/1071667990.db2.gz BFMVJQVVQCAFRZ-FQEVSTJZSA-N 0 3 475.081 3.554 20 0 JHADHN CCN1CCN(CCCn2c(COc3ccc(F)cc3)nnc2N2CC[C@@H](C(C)C)C2)CC1 ZINC001313960169 1071669163 /nfs/dbraw/zinc/66/91/63/1071669163.db2.gz FGSWDSUEYIATQY-OAQYLSRUSA-N 0 3 458.626 3.506 20 0 JHADHN CCN1CCN(CCCn2c([C@H](C)Oc3cccc(C)c3C)nnc2N2CCCO[C@H](C)C2)CC1 ZINC001313960541 1071669903 /nfs/dbraw/zinc/66/99/03/1071669903.db2.gz KLYVRGDVCFNBNB-VWNXMTODSA-N 0 3 484.689 3.678 20 0 JHADHN CCN1CCN(CCCn2c(COc3ccccc3OC)nnc2N2C[C@@H](C)CC[C@@H]2C)CC1 ZINC001313961075 1071671760 /nfs/dbraw/zinc/67/17/60/1071671760.db2.gz QASWWXHUXPWXRX-VXKWHMMOSA-N 0 3 470.662 3.518 20 0 JHADHN CCNC(=O)c1ccc(Cn2c(Cc3ccsc3)nnc2N2C[C@@H](C)N(CC)C[C@H]2C)cc1 ZINC001313981650 1071718495 /nfs/dbraw/zinc/71/84/95/1071718495.db2.gz HCICAAOTBYQSAX-RTBURBONSA-N 0 3 466.655 3.647 20 0 JHADHN CCOC(=O)N[C@@H]1CCCN(c2nnc([C@H](C)CC)n2CCCN2CCN(c3ccccc3)CC2)C1 ZINC001314036522 1071827419 /nfs/dbraw/zinc/82/74/19/1071827419.db2.gz OKTIXVOGRCUIJU-DHIUTWEWSA-N 0 3 497.688 3.719 20 0 JHADHN CCOC(C)(C)Cn1c(Cc2cn3ccccc3n2)nnc1N1CCN(CCC(C)(C)C)CC1 ZINC001314051321 1071872945 /nfs/dbraw/zinc/87/29/45/1071872945.db2.gz BQQMKXXNFWDYSV-UHFFFAOYSA-N 0 3 467.662 3.890 20 0 JHADHN CCO[C@H](CCn1c([C@H](C)CC)nnc1N1C[C@H](C)[C@H](N2CCCN(C(C)=O)CC2)C1)C(C)C ZINC001314057820 1071887368 /nfs/dbraw/zinc/88/73/68/1071887368.db2.gz TVPVIJCPEDPAMX-CBJLPSGESA-N 0 3 476.710 3.622 20 0 JHADHN CCO[C@H](Cn1c(N2CCC(CN3CCOCC3)CC2)nnc1C(C)(C)C)c1ccccc1 ZINC001314079749 1071939634 /nfs/dbraw/zinc/93/96/34/1071939634.db2.gz TXUYHZFYZVOELP-HSZRJFAPSA-N 0 3 455.647 3.902 20 0 JHADHN CCO[C@@]1(c2nnc(N(C)CC3CC(F)C3)n2C[C@H](c2ccc(F)cc2)N(C)C)CCOC1 ZINC001314087684 1071961300 /nfs/dbraw/zinc/96/13/00/1071961300.db2.gz YKNGVLUXJNCQDY-YBNFRZJSSA-N 0 3 463.573 3.557 20 0 JHADHN CCO[C@]1(c2nnc(N(C)CCC(F)(F)F)n2CC2(N3CCSCC3)CCCC2)CCOC1 ZINC001314089814 1071966524 /nfs/dbraw/zinc/96/65/24/1071966524.db2.gz LIUBJWUGRKTSOK-OAQYLSRUSA-N 0 3 491.624 3.680 20 0 JHADHN CCO[C@]1(c2nnc(N3C[C@H](C)N(CC)C[C@H]3C)n2Cc2ccc(Cl)cc2F)CCOC1 ZINC001314093936 1071971953 /nfs/dbraw/zinc/97/19/53/1071971953.db2.gz INYQRRXYGXTTSI-YGKZAACZSA-N 0 3 466.001 3.690 20 0 JHADHN CCO[C@]1(c2nnc(N3CCN(CCC(C)(C)C)CC3)n2Cc2cccc(N(C)C)c2)CCOC1 ZINC001314135443 1072047938 /nfs/dbraw/zinc/04/79/38/1072047938.db2.gz LYFNRBOQBMVACH-HHHXNRCGSA-N 0 3 484.689 3.603 20 0 JHADHN CCc1ccc(-c2nnc(N3C[C@@H](C)N(CC)C[C@@H]3C)n2CC2(COC)CCOCC2)cc1 ZINC001305928876 1068228585 /nfs/dbraw/zinc/22/85/85/1068228585.db2.gz MBZCPSSEPKWTSA-RTWAWAEBSA-N 0 3 455.647 3.870 20 0 JHADHN CCc1ccc(-c2nnc(N3CCO[C@@]4(CCOC4)C3)n2CCN(CC)CCC(F)(F)F)cc1 ZINC001305950270 1068273291 /nfs/dbraw/zinc/27/32/91/1068273291.db2.gz JIULRWHHJNOJSN-QHCPKHFHSA-N 0 3 481.563 3.778 20 0 JHADHN CCc1ccccc1NC(=O)CN(C)c1nnc(CC2CCCC2)n1CCN1CCN(C)C(C)(C)C1 ZINC001305975471 1068313194 /nfs/dbraw/zinc/31/31/94/1068313194.db2.gz XSGQWGYUDCRJLZ-UHFFFAOYSA-N 0 3 495.716 3.674 20 0 JHADHN CCc1nc(C)c([C@@H](C)N(C)c2nnc([C@H]3CCS(=O)(=O)C3)n2CCN(C(C)C)C(C)C)s1 ZINC001306004530 1068381195 /nfs/dbraw/zinc/38/11/95/1068381195.db2.gz DYPQWXPSGOMKLN-MOPGFXCFSA-N 0 3 496.747 3.824 20 0 JHADHN CCc1nc(CCn2c(Cc3c(F)cccc3F)nnc2N2CCN(CCC(C)(C)C)CC2)no1 ZINC001306020216 1068410788 /nfs/dbraw/zinc/41/07/88/1068410788.db2.gz RXKJSSLNZZZOOQ-UHFFFAOYSA-N 0 3 487.599 3.893 20 0 JHADHN CCc1nnc(Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCN(C(C)(C)C)CC2)s1 ZINC001306060939 1068499588 /nfs/dbraw/zinc/49/95/88/1068499588.db2.gz FHUKVCZBQMVIHN-VQIMIIECSA-N 0 3 461.680 3.579 20 0 JHADHN CCc1nnc(N(C)C2CCN(CCn3cccn3)CC2)n1C[C@H]1C[C@@H](OC(C)(C)C)C1(C)C ZINC001306071730 1068506247 /nfs/dbraw/zinc/50/62/47/1068506247.db2.gz YDYGZNQQDJOYRS-IFMALSPDSA-N 0 3 471.694 3.868 20 0 JHADHN CCc1nnc(N2C[C@H](C)C[C@@]3(C2)OC(=O)Nc2ccc(Cl)c(F)c23)n1CCN(C)CCOC ZINC001306107228 1068520684 /nfs/dbraw/zinc/52/06/84/1068520684.db2.gz COIWIGVSDQEJPU-CMJOXMDJSA-N 0 3 494.999 3.515 20 0 JHADHN CCc1nnc(N2CCC(C(=O)N3CCC[C@@H](C)C3)CC2)n1C[C@H](c1cccc(F)c1)N(C)C ZINC001306118443 1068525646 /nfs/dbraw/zinc/52/56/46/1068525646.db2.gz SSTZBWNVQSAGHW-AUSIDOKSSA-N 0 3 470.637 3.757 20 0 JHADHN CCc1nnc(N2CCC(CCCN3CCOCC3)CC2)n1C[C@H](c1cccs1)N(C)C ZINC001306132635 1068535892 /nfs/dbraw/zinc/53/58/92/1068535892.db2.gz FXGXSRYEDDFQEY-OAQYLSRUSA-N 0 3 460.692 3.534 20 0 JHADHN CCc1nnc(N2CCC[C@H](CNC(=O)C(C)(C)C)C2)n1CCCN1CCc2ccccc2C1 ZINC001306166946 1068563272 /nfs/dbraw/zinc/56/32/72/1068563272.db2.gz YKCCZSBFDVKFRG-OAQYLSRUSA-N 0 3 466.674 3.668 20 0 JHADHN CCc1nnc(N2CCC[C@@H](NC(=O)OC(C)(C)C)C2)n1C[C@@H](c1ccc(F)cc1)N(C)C ZINC001306171273 1068565833 /nfs/dbraw/zinc/56/58/33/1068565833.db2.gz RMLSSQTWQZQQPK-UXHICEINSA-N 0 3 460.598 3.776 20 0 JHADHN CCc1nnc(N2CCO[C@@H](c3cnn(CC)c3)C2)n1C[C@@H](c1ccsc1)N(CC)CC ZINC001306219073 1068606753 /nfs/dbraw/zinc/60/67/53/1068606753.db2.gz NMQIAZAWQDLYHR-LEWJYISDSA-N 0 3 457.648 3.779 20 0 JHADHN CC[C@H]1CCC[C@@H]1Cn1c(-c2ccc(C)o2)nnc1N1CCN(C(=O)CN(CC)CC)CC1 ZINC001306310598 1068728836 /nfs/dbraw/zinc/72/88/36/1068728836.db2.gz FURQEWZWPDSORP-LEWJYISDSA-N 0 3 456.635 3.663 20 0 JHADHN CC[C@H]1CCCCN1CCn1c(-c2cc(C)nc3ccccc32)nnc1N(C)[C@H](C)CS(C)(=O)=O ZINC001306316298 1068735736 /nfs/dbraw/zinc/73/57/36/1068735736.db2.gz DZAQZQBMPPZVCI-RTWAWAEBSA-N 0 3 498.697 3.936 20 0 JHADHN CC[C@H]1CCCCN1CCn1c(-c2cccc(Cl)c2)nnc1N(C)[C@H](C)CS(C)(=O)=O ZINC001306318181 1068740395 /nfs/dbraw/zinc/74/03/95/1068740395.db2.gz MUECCFHPHMVTOF-XLIONFOSSA-N 0 3 468.067 3.732 20 0 JHADHN CC[C@@H]1CCCN(c2nnc(COc3ccc(F)cc3)n2C[C@H](C)N2CCN(CC)CC2)C1 ZINC001306343195 1068778995 /nfs/dbraw/zinc/77/89/95/1068778995.db2.gz QTNORHCTBSOWAV-LEWJYISDSA-N 0 3 458.626 3.649 20 0 JHADHN CC[C@H]1CN(c2nnc(Cc3csc(C)n3)n2CCN(C)Cc2ccccc2)C[C@@H](C)O1 ZINC001306443396 1068953938 /nfs/dbraw/zinc/95/39/38/1068953938.db2.gz CYZBQOZXSXHEFJ-GCJKJVERSA-N 0 3 454.644 3.770 20 0 JHADHN CC/C=C\Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC001306471390 1069015438 /nfs/dbraw/zinc/01/54/38/1069015438.db2.gz WHAUQXQWXLTGRJ-NJRZHNRPSA-N 0 3 468.646 3.533 20 0 JHADHN CCCC(=O)Nc1ccc(Cn2c([C@@H]3CCCOC3)nnc2N2CCN(CC(C)C)CC2)cc1 ZINC001306494886 1069038842 /nfs/dbraw/zinc/03/88/42/1069038842.db2.gz UKPYOKWIMLAONG-JOCHJYFZSA-N 0 3 468.646 3.737 20 0 JHADHN CCCC(=O)NC[C@@H]1CCCN(c2nnc(C3CCC3)n2C[C@@H](c2ccccc2)N(C)C)C1 ZINC001306517751 1069129086 /nfs/dbraw/zinc/12/90/86/1069129086.db2.gz BPETWYBZQJLJQW-REWPJTCUSA-N 0 3 452.647 3.981 20 0 JHADHN CCC[C@@](C)(O)Cn1c(-c2ccc(Cl)cc2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC001306527082 1069157172 /nfs/dbraw/zinc/15/71/72/1069157172.db2.gz CZVLEUWTWCXGGW-RCZVLFRGSA-N 0 3 475.081 3.754 20 0 JHADHN CCN1CCN(Cc2ccccc2CNC(=O)Nc2ccc3c(c2)CN(CC(F)F)C3)CC1 ZINC001310829516 1069181726 /nfs/dbraw/zinc/18/17/26/1069181726.db2.gz ULQBUELVYSBWKZ-UHFFFAOYSA-N 0 3 457.569 3.727 20 0 JHADHN CCN1CCN(Cc2ccccc2CNC(=O)Nc2ccc(OC)nc2C(F)(F)F)CC1 ZINC001310993095 1069243167 /nfs/dbraw/zinc/24/31/67/1069243167.db2.gz VSXNIBWSFFWRNN-UHFFFAOYSA-N 0 3 451.493 3.568 20 0 JHADHN CCCC(O)(CCC)Cn1c(-c2ccc3c(c2)OCO3)nnc1N1C[C@@H](C)N(CC)C[C@H]1C ZINC001306594551 1069266291 /nfs/dbraw/zinc/26/62/91/1069266291.db2.gz MBENEGSEOXWDQP-RTBURBONSA-N 0 3 457.619 3.924 20 0 JHADHN COC(=O)c1cc(NC(=O)N[C@H]2CN(Cc3ccccc3)C[C@H]2C)c(Cl)cc1NC(C)=O ZINC001311191816 1069294129 /nfs/dbraw/zinc/29/41/29/1069294129.db2.gz ZDBORTJSSQPYDG-SZNDQCEHSA-N 0 3 458.946 3.727 20 0 JHADHN CCC[C@H]1CN(c2nnc(-c3cccc(Cl)c3)n2Cc2cc(C)on2)CCN1CCOC ZINC001306616468 1069298224 /nfs/dbraw/zinc/29/82/24/1069298224.db2.gz GWNBTAFOGCXZQE-NRFANRHFSA-N 0 3 458.994 3.880 20 0 JHADHN CC(C)(C)OC(=O)N1CCn2nc(NC(=O)NC[C@H](c3ccccc3)N3CCCC3)cc2C1 ZINC001311241741 1069306341 /nfs/dbraw/zinc/30/63/41/1069306341.db2.gz DNOMMNWEEIITIT-HXUWFJFHSA-N 0 3 454.575 3.592 20 0 JHADHN CCCOc1c(Br)cc(Br)cc1CNCCCN1CCOCC1 ZINC000020967906 195257334 /nfs/dbraw/zinc/25/73/34/195257334.db2.gz KRRAFLYAJZHTQW-UHFFFAOYSA-N 0 3 450.215 3.812 20 0 JHADHN COc1ccc2nc(C(F)(F)n3nc(CN(C)C(C)C)c4c3CNCC4)nc(Cl)c2c1 ZINC001164679500 719643203 /nfs/dbraw/zinc/64/32/03/719643203.db2.gz CZUXKILZUDPOQF-UHFFFAOYSA-N 0 3 450.921 3.572 20 0 JHADHN Clc1ccc(-c2ccc(C3OCCCO3)c(N3CCN4C[C@H](Oc5cncnc5)C[C@@H]4C3)c2)cn1 ZINC001164744657 720741869 /nfs/dbraw/zinc/74/18/69/720741869.db2.gz RWCUKYWDWUNWFV-NHCUHLMSSA-N 0 3 493.995 3.969 20 0 JHADHN c1ccc(-c2ccc(-c3ccc(N4CCN5C[C@H](Oc6cncnc6)C[C@@H]5C4)nn3)cc2)cc1 ZINC001164740967 720784562 /nfs/dbraw/zinc/78/45/62/720784562.db2.gz LUCWGURPAPDUFD-DNQXCXABSA-N 0 3 450.546 3.943 20 0 JHADHN CC(C)N(C)Cc1cnc2n1CCN(c1ncnc3c1ccn3COC(=O)C(C)(C)C)[C@@H]2C ZINC001164858647 720962595 /nfs/dbraw/zinc/96/25/95/720962595.db2.gz JSRNYSIJYVDASC-QGZVFWFLSA-N 0 3 453.591 3.596 20 0 JHADHN c1csc(-c2noc(-c3ccnc(N4CCN5C[C@@H](OCc6cccnc6)C[C@H]5C4)c3)n2)c1 ZINC001164881199 721167549 /nfs/dbraw/zinc/16/75/49/721167549.db2.gz ZUPQVORAJKDBGA-PMACEKPBSA-N 0 3 460.563 3.735 20 0 JHADHN Cn1cc(CN2CC[C@@H]3CN(c4nc(CN5CCCCC5)nc5sc6c(c54)CCC6)C[C@H]3C2)cn1 ZINC001164765048 721199510 /nfs/dbraw/zinc/19/95/10/721199510.db2.gz HOGQIFCILUMWMR-NHCUHLMSSA-N 0 3 491.709 3.858 20 0 JHADHN Cc1sc2nc(CN3CCCC3)nc(N3C[C@@H]4CCN(Cc5cnn(C)c5)C[C@@H]4C3)c2c1C ZINC001164771466 721199576 /nfs/dbraw/zinc/19/95/76/721199576.db2.gz QFAHOUXGTOXODX-LEWJYISDSA-N 0 3 465.671 3.596 20 0 JHADHN COC(=O)c1ccc(-c2ccc(N3CC[C@]4(C3)CCC[C@@H](CN3CCN(C)CC3)O4)nc2C)cc1 ZINC001164889532 721430722 /nfs/dbraw/zinc/43/07/22/721430722.db2.gz BIDYLAKYMCPWQU-CUBQBAPOSA-N 0 3 478.637 3.609 20 0 JHADHN COc1ccc(CN(C)c2ccnc(N3CCN4C[C@H](Oc5cccc(F)c5)C[C@@H]4C3)n2)cc1 ZINC001164910365 721563382 /nfs/dbraw/zinc/56/33/82/721563382.db2.gz WJSFYRQSSOULDC-ZJSXRUAMSA-N 0 3 463.557 3.603 20 0 JHADHN Clc1nc2c(c(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)n1)CN(Cc1ccccc1)C2 ZINC001164982351 722108241 /nfs/dbraw/zinc/10/82/41/722108241.db2.gz NRXCEDHYQXXQIS-WIOPSUGQSA-N 0 3 491.039 3.768 20 0 JHADHN c1ccc2nc(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)c(N3CCCCC3)nc2c1 ZINC001164975218 722138027 /nfs/dbraw/zinc/13/80/27/722138027.db2.gz FTKBJTUUZCKLCB-DHLKQENFSA-N 0 3 458.610 3.742 20 0 JHADHN FC(F)(c1cc(Cl)nc(-c2cccnc2)n1)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164983335 722138357 /nfs/dbraw/zinc/13/83/57/722138357.db2.gz UGTQMLJOAMAVCW-PMACEKPBSA-N 0 3 486.954 3.859 20 0 JHADHN c1ccc(-c2nc3ccccc3c(N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)n2)nc1 ZINC001164984180 722140387 /nfs/dbraw/zinc/14/03/87/722140387.db2.gz WEHAUYUOZLJNAY-OFVILXPXSA-N 0 3 452.562 3.814 20 0 JHADHN c1csc(-c2noc(-c3ccnc(N4CC[C@@H]5CN(Cc6cccnc6)CCO[C@@H]5C4)c3)n2)c1 ZINC001164985437 722149803 /nfs/dbraw/zinc/14/98/03/722149803.db2.gz ZLYIWKWXIJEINP-NHCUHLMSSA-N 0 3 474.590 3.982 20 0 JHADHN FC(F)(Oc1ccc(Cl)nc1Cl)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164972244 722153728 /nfs/dbraw/zinc/15/37/28/722153728.db2.gz HNNXDBHQVXCLPJ-WBVHZDCISA-N 0 3 459.324 3.935 20 0 JHADHN CCC[C@H]1CN(c2nnc(-c3cccc(C)n3)n2C[C@](C)(O)c2ccsc2)CCN1CCOC ZINC001306622727 1069313134 /nfs/dbraw/zinc/31/31/34/1069313134.db2.gz DBDRSSLLZFQHIR-OFVILXPXSA-N 0 3 484.670 3.555 20 0 JHADHN CCC[C@@H]1CN(c2nnc(-c3ccc(OC)cc3)n2CC2(O)CCCCC2)CCN1CCOC ZINC001306624288 1069317431 /nfs/dbraw/zinc/31/74/31/1069317431.db2.gz XTDLFWYRNBVCSQ-JOCHJYFZSA-N 0 3 471.646 3.586 20 0 JHADHN CCOC(=O)c1cn(CC)nc1NC(=O)N(CCN(C)C)Cc1ccc(C(F)(F)F)cc1 ZINC001311312061 1069321841 /nfs/dbraw/zinc/32/18/41/1069321841.db2.gz KMVHWMHNTAYGFL-UHFFFAOYSA-N 0 3 455.481 3.694 20 0 JHADHN CCC[C@@H]1CN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@@H](C)N2CCN(CC)CC2)CCO1 ZINC001306632080 1069332850 /nfs/dbraw/zinc/33/28/50/1069332850.db2.gz JMEMUWYIICCSGD-ILBGXUMGSA-N 0 3 484.689 3.505 20 0 JHADHN Cc1cccc(N2CCN(CCCCNC(=O)NC[C@@]3(C)OCCc4sccc43)CC2)c1 ZINC001311379600 1069353430 /nfs/dbraw/zinc/35/34/30/1069353430.db2.gz DIYYHCFCRCJQPF-RUZDIDTESA-N 0 3 456.656 3.746 20 0 JHADHN Cc1ccc(CN2CC[C@H](NC(=O)NC[C@@H](c3ccccc3Cl)N3CCOCC3)C2)cc1 ZINC001311388518 1069356908 /nfs/dbraw/zinc/35/69/08/1069356908.db2.gz DNMBYFNUXGPPFS-URXFXBBRSA-N 0 3 457.018 3.595 20 0 JHADHN CCCCCn1c(-c2nn(C)c(=O)c3ccccc32)nnc1N1CCN(CCC(C)(C)C)CC1 ZINC001306647145 1069358824 /nfs/dbraw/zinc/35/88/24/1069358824.db2.gz ASMAOZYRTGOGLP-UHFFFAOYSA-N 0 3 465.646 3.940 20 0 JHADHN CN1CCN(CCCNC(=O)N2CCC[C@@H]2C[C@@H](O)c2cccs2)[C@@H](c2ccccc2)C1 ZINC001311422771 1069370890 /nfs/dbraw/zinc/37/08/90/1069370890.db2.gz JPVSXOMTENVNCA-DNVJHFABSA-N 0 3 456.656 3.724 20 0 JHADHN Cc1cc(CNC(=O)NCCCN2CCN(Cc3ccccc3)CC2)ccc1Br ZINC001311424304 1069372413 /nfs/dbraw/zinc/37/24/13/1069372413.db2.gz PFVPLKFEQSZQFJ-UHFFFAOYSA-N 0 3 459.432 3.765 20 0 JHADHN CCCCN(C)C(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H](c2ccc(C)cc2)N(C)C)CC1 ZINC001306665588 1069392267 /nfs/dbraw/zinc/39/22/67/1069392267.db2.gz OCVUQUQDYIODNE-RPBOFIJWSA-N 0 3 496.700 3.868 20 0 JHADHN CCN(CC)[C@H](CNC(=O)N[C@@H]1CCN(c2ccc(Cl)cc2)C1=O)c1cccc(OC)c1 ZINC001311470597 1069393978 /nfs/dbraw/zinc/39/39/78/1069393978.db2.gz REYLDUBFNCDHQD-FGZHOGPDSA-N 0 3 458.990 3.836 20 0 JHADHN CC(C)(C)OC(=O)N1CCC[C@@H]1CCCNC(=O)NCC1(N2CCSCC2)CCCC1 ZINC001311582361 1069449517 /nfs/dbraw/zinc/44/95/17/1069449517.db2.gz AILQJSJGIOCHPN-IBGZPJMESA-N 0 3 454.681 3.827 20 0 JHADHN CCCCN1CCCC[C@H]1Cn1c(-c2ccc(Cl)nc2)nnc1N(C)[C@@H](C)CS(C)(=O)=O ZINC001306724685 1069465800 /nfs/dbraw/zinc/46/58/00/1069465800.db2.gz ZCARKZYVXGQUPT-HKUYNNGSSA-N 0 3 483.082 3.517 20 0 JHADHN C[C@@H](NC(=O)N1CCN(C(=O)[C@H]2CCCN2C)CC1)c1ccc(Oc2ccccc2)c(F)c1 ZINC001311619071 1069470059 /nfs/dbraw/zinc/47/00/59/1069470059.db2.gz JJQJEVQWRFDCEI-XMSQKQJNSA-N 0 3 454.546 3.627 20 0 JHADHN O=C(NCCCCN1CCN(Cc2ccccc2)CC1)N1CCC[C@@H](Cc2nccs2)C1 ZINC001311629557 1069478212 /nfs/dbraw/zinc/47/82/12/1069478212.db2.gz DRUGWMFNWADVNA-QHCPKHFHSA-N 0 3 455.672 3.705 20 0 JHADHN O=C(NCCCCN1CCN(Cc2ccccc2)CC1)N1CCCC[C@@H](C2CCOCC2)C1 ZINC001311630152 1069478786 /nfs/dbraw/zinc/47/87/86/1069478786.db2.gz MXQMIGCYPPGMHX-AREMUKBSSA-N 0 3 456.675 3.823 20 0 JHADHN O=C(NCCCCN1CCN(c2ccccc2)CC1)NCc1sccc1Br ZINC001311633089 1069480542 /nfs/dbraw/zinc/48/05/42/1069480542.db2.gz LUUIOAQCLHEDPU-UHFFFAOYSA-N 0 3 451.434 3.912 20 0 JHADHN CC[C@@H]1CN(C(=O)NCc2cccc(CN3CCO[C@@H](C)C3)c2)CCN1Cc1ccccc1 ZINC001311667308 1069495608 /nfs/dbraw/zinc/49/56/08/1069495608.db2.gz SAGRVACQBIMPLP-BKMJKUGQSA-N 0 3 450.627 3.713 20 0 JHADHN CN(C)CCN(Cc1cccc(F)c1)C(=O)CCc1nc2sc3c(c2c(=O)[nH]1)CCCC3 ZINC001306739076 1069510523 /nfs/dbraw/zinc/51/05/23/1069510523.db2.gz MVVFYMILYSTJRL-UHFFFAOYSA-N 0 3 456.587 3.938 20 0 JHADHN CCCCNC(=O)[C@H]1CCCN(c2nnc(-c3ccccn3)n2C[C@@H](c2cccc(F)c2)N(C)C)C1 ZINC001306740877 1069514628 /nfs/dbraw/zinc/51/46/28/1069514628.db2.gz WLCOPPWJKJWDGO-URXFXBBRSA-N 0 3 493.631 3.915 20 0 JHADHN CCOC(=O)c1csc(CC2CCN(C(=O)NC[C@@H](c3ccc(C)cc3)N(C)C)CC2)n1 ZINC001311743234 1069530112 /nfs/dbraw/zinc/53/01/12/1069530112.db2.gz CAJMKZRKTJNNOH-NRFANRHFSA-N 0 3 458.628 3.895 20 0 JHADHN CCN(C(=O)NC[C@H](c1cccc(F)c1)N1CCOCC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC001311761362 1069536290 /nfs/dbraw/zinc/53/62/90/1069536290.db2.gz JVQYQCQZXWZDHL-LOSJGSFVSA-N 0 3 454.590 3.505 20 0 JHADHN CCCCNC(=O)C1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H](c2cccs2)N(C)C)CC1 ZINC001306749112 1069540669 /nfs/dbraw/zinc/54/06/69/1069540669.db2.gz PEABSHQBVGPXKM-VQTJNVASSA-N 0 3 474.675 3.627 20 0 JHADHN CCCCOCCCn1c(-c2ccccc2Cl)nnc1N1CCN(C(=O)[C@H]2CCCN2C)CC1 ZINC001306750327 1069544674 /nfs/dbraw/zinc/54/46/74/1069544674.db2.gz CFLDJOFQJTYOIL-JOCHJYFZSA-N 0 3 489.064 3.548 20 0 JHADHN 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CCCOCc1ccccc1CNC(=O)CN1C[C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)[C@H]2C1 ZINC001307604516 1070076993 /nfs/dbraw/zinc/07/69/93/1070076993.db2.gz WBJWHPYBBITYIJ-ACIOBRDBSA-N 0 3 459.631 3.855 20 0 JHADHN CCCOCc1ccccc1CNC(=O)CN1C[C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)[C@@H]2C1 ZINC001307604518 1070077343 /nfs/dbraw/zinc/07/73/43/1070077343.db2.gz WBJWHPYBBITYIJ-MDNUFGMLSA-N 0 3 459.631 3.855 20 0 JHADHN Cc1ccc(S(=O)(=O)N2CCN(C(=O)CN[C@@H](CC(C)C)c3ccccc3)CC2)cc1C ZINC001307622141 1070084718 /nfs/dbraw/zinc/08/47/18/1070084718.db2.gz XIFWKIRNROOIED-DEOSSOPVSA-N 0 3 457.640 3.513 20 0 JHADHN COc1ccc(S(N)(=O)=O)cc1NC(=O)CN[C@H](c1ccccc1C)[C@H]1CCC[C@H](C)C1 ZINC001307634088 1070092828 /nfs/dbraw/zinc/09/28/28/1070092828.db2.gz ZGLRYAHCWYKHEW-KEWLPNKHSA-N 0 3 459.612 3.747 20 0 JHADHN COc1ccc(S(N)(=O)=O)cc1NC(=O)CN[C@H](c1ccccc1C)[C@@H]1CCC[C@H](C)C1 ZINC001307634087 1070092930 /nfs/dbraw/zinc/09/29/30/1070092930.db2.gz ZGLRYAHCWYKHEW-GXYVPTEVSA-N 0 3 459.612 3.747 20 0 JHADHN 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CCCN(CC(F)(F)F)C(=O)[C@H]1CCCN(C(=O)N[C@H](C)CN(C)Cc2ccccc2)C1 ZINC001312796848 1070127421 /nfs/dbraw/zinc/12/74/21/1070127421.db2.gz IOYZLIFINRNSEU-QUCCMNQESA-N 0 3 456.553 3.729 20 0 JHADHN COC(=O)CN(Cc1ccc(C(F)(F)F)cc1)C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC001307702112 1070135138 /nfs/dbraw/zinc/13/51/38/1070135138.db2.gz GAQYAVBBVNMMDA-JOCHJYFZSA-N 0 3 450.501 3.972 20 0 JHADHN COc1ccc(NC(=O)CN[C@H]2CC(C)(C)CCc3ccccc32)cc1S(=O)(=O)N(C)C ZINC001307717561 1070143310 /nfs/dbraw/zinc/14/33/10/1070143310.db2.gz UUKNYGFIZYAAPO-FQEVSTJZSA-N 0 3 459.612 3.577 20 0 JHADHN CCOC(=O)C1CCN(C(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2c2cccc(F)c2)CC1 ZINC001312838035 1070148293 /nfs/dbraw/zinc/14/82/93/1070148293.db2.gz DETLJPSUWOMQHG-BJKOFHAPSA-N 0 3 453.558 3.778 20 0 JHADHN CC1(C)Cc2c(cccc2Br)[C@H]1NCC(=O)NCCCN1CCCCCC1=O ZINC001307801089 1070188050 /nfs/dbraw/zinc/18/80/50/1070188050.db2.gz VIFNDQPUQMVAHR-OAQYLSRUSA-N 0 3 450.421 3.571 20 0 JHADHN CCOCc1nnc(N2CCCN(c3nc(C)ns3)CC2)n1C[C@H](c1ccc(CC)cc1)N(C)C 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XHCYNLJDYLGVQW-UHFFFAOYSA-N 0 3 451.489 3.578 20 0 JHADHN O=C(NCCN1CCCC1)c1ccc(CNCc2c(F)cc(Br)cc2F)cc1 ZINC001308281316 1070351651 /nfs/dbraw/zinc/35/16/51/1070351651.db2.gz AOXMRTGICBXXAY-UHFFFAOYSA-N 0 3 452.343 3.843 20 0 JHADHN CN(CCN1CCN(C(=O)NCc2cccc(OC(F)(F)F)c2)CC1)Cc1ccccc1 ZINC001313413659 1070352102 /nfs/dbraw/zinc/35/21/02/1070352102.db2.gz DACPQEAGLUBRNC-UHFFFAOYSA-N 0 3 450.505 3.544 20 0 JHADHN C[C@H]1CN(Cc2ccccc2)CCN(C(=O)N[C@@H](c2nccn2C)c2ccc(F)c(F)c2)C1 ZINC001313413187 1070352389 /nfs/dbraw/zinc/35/23/89/1070352389.db2.gz DPPWUWSMRZFLJM-FDDCHVKYSA-N 0 3 453.537 3.951 20 0 JHADHN OC[C@H](CNCc1cn2ccc(Br)cc2n1)Cc1ccc(Br)cc1 ZINC001308369761 1070362382 /nfs/dbraw/zinc/36/23/82/1070362382.db2.gz RRXBTPJVGRDVEJ-AWEZNQCLSA-N 0 3 453.178 3.800 20 0 JHADHN CC(C)c1nn(-c2ccc(Br)cc2)cc1CNC[C@H]1COC2(CCOCC2)O1 ZINC001308349996 1070360191 /nfs/dbraw/zinc/36/01/91/1070360191.db2.gz PBJBPQHJEQPIBY-IBGZPJMESA-N 0 3 450.377 3.770 20 0 JHADHN CCOCCCn1c(-c2ccc(Cl)cc2F)nnc1N1CCC(CN2CCOCC2)CC1 ZINC001314459823 1070364405 /nfs/dbraw/zinc/36/44/05/1070364405.db2.gz PUYSWLMQJVLUSE-UHFFFAOYSA-N 0 3 466.001 3.713 20 0 JHADHN CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1NCc1cnnn1[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC001308442861 1070376326 /nfs/dbraw/zinc/37/63/26/1070376326.db2.gz YGDGRDBRTSLDLF-MISYRCLQSA-N 0 3 478.638 3.776 20 0 JHADHN COc1ccc(OC)c([C@H](O)[C@@H](C)NCc2cc(Br)c3c(c2)OCCCO3)c1 ZINC001308514480 1070384380 /nfs/dbraw/zinc/38/43/80/1070384380.db2.gz VQRHFSRLMMQJOF-ZUOKHONESA-N 0 3 452.345 3.839 20 0 JHADHN CCOCCN1CCN(c2nnc(C(C)(C)C)n2CC(C)(C)N2CCc3ccccc3C2)CC1 ZINC001314494605 1070410956 /nfs/dbraw/zinc/41/09/56/1070410956.db2.gz UADOKFLDLDNJJU-UHFFFAOYSA-N 0 3 468.690 3.571 20 0 JHADHN CCCNC(=O)[C@H]1CCCN(c2nnc(-c3ccc(Cl)cc3)n2CCN2CC=CCC2)C1 ZINC001313460886 1070412959 /nfs/dbraw/zinc/41/29/59/1070412959.db2.gz PVMDARKQPCYDEF-FQEVSTJZSA-N 0 3 457.022 3.603 20 0 JHADHN C[C@@H]1CC[C@H](NCc2cccc(N3C(=O)NC4(CCCC4)C3=O)c2)CN1C(=O)OC(C)(C)C ZINC001308794704 1070438709 /nfs/dbraw/zinc/43/87/09/1070438709.db2.gz BSZIDOLKIXELCV-MJGOQNOKSA-N 0 3 456.587 3.933 20 0 JHADHN CN(C)Cc1ccc(CN2CC[C@@H]3[C@H](CCN3C(=O)OC(C)(C)C)C2)c2c1OC(F)(F)O2 ZINC001308793063 1070438748 /nfs/dbraw/zinc/43/87/48/1070438748.db2.gz NHGDDOLYMZQISI-CRAIPNDOSA-N 0 3 453.530 3.901 20 0 JHADHN FC(F)(F)Oc1ccccc1CC1CN(Cc2ccc(OCCN3CCOCC3)cc2)C1 ZINC001308807994 1070441251 /nfs/dbraw/zinc/44/12/51/1070441251.db2.gz GYXNQCVDHDYMIG-UHFFFAOYSA-N 0 3 450.501 3.971 20 0 JHADHN CCS(=O)(=O)C[C@@H](C)N(C)c1nnc(-c2ccc3ccccc3n2)n1CC1(N(C)C)CCCC1 ZINC001314512882 1070477526 /nfs/dbraw/zinc/47/75/26/1070477526.db2.gz MSAACKWCPKYTAZ-LJQANCHMSA-N 0 3 484.670 3.627 20 0 JHADHN CCS(=O)(=O)C[C@H](C)N(C)c1nnc(-c2c[nH]c3ccccc23)n1C[C@@H](C)N1CCC[C@H](C)C1 ZINC001314521351 1070507291 /nfs/dbraw/zinc/50/72/91/1070507291.db2.gz ZXLFKXLNKOVXLG-ZCNNSNEGSA-N 0 3 486.686 3.806 20 0 JHADHN CCCOc1ccc(-c2nnc(N3CC[C@H](N4CCN(CC)CC4)C3)n2CC(C)C)cc1OC ZINC001313503124 1070531968 /nfs/dbraw/zinc/53/19/68/1070531968.db2.gz BWAXUFUPWGSGKF-QFIPXVFZSA-N 0 3 470.662 3.615 20 0 JHADHN CCCOc1ccc(-c2nnc(N3CCO[C@@H](C(C)C)C3)n2CCN2CC=CCC2)cc1OC ZINC001313504150 1070537426 /nfs/dbraw/zinc/53/74/26/1070537426.db2.gz MOWFAKQDGFICDL-XMMPIXPASA-N 0 3 469.630 3.866 20 0 JHADHN COC(=O)c1ccc(C(F)(F)F)cc1S(=O)(=O)NCC(C)(C)N1C[C@H](C)C[C@H](C)C1 ZINC001309100026 1070540057 /nfs/dbraw/zinc/54/00/57/1070540057.db2.gz KUTJUUXHORRVQQ-OKILXGFUSA-N 0 3 450.523 3.527 20 0 JHADHN CCSc1cccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCN(CCC(C)(C)C)CC2)c1 ZINC001314588006 1070612276 /nfs/dbraw/zinc/61/22/76/1070612276.db2.gz AGIRQLCBCHKFGX-NRFANRHFSA-N 0 3 470.687 3.948 20 0 JHADHN O=S(=O)(NC[C@@H](O)c1cccc(F)c1)[C@@H]1CN(Cc2ccccc2)C[C@H]1c1ccc(F)cc1 ZINC001309218891 1070617426 /nfs/dbraw/zinc/61/74/26/1070617426.db2.gz JSTPTCBENCPEKK-ISJGIBHGSA-N 0 3 472.557 3.586 20 0 JHADHN CCS[C@@H]1CC[C@H](N(C)c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](c2ccccc2)N(C)C)C1 ZINC001314592368 1070624619 /nfs/dbraw/zinc/62/46/19/1070624619.db2.gz DIMGUCLDQMHUEE-WOZUAGRISA-N 0 3 456.660 3.643 20 0 JHADHN CCS[C@@H]1CC[C@H](N(C)c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCCN2C[C@H](C)C[C@H](C)C2)C1 ZINC001314594071 1070630391 /nfs/dbraw/zinc/63/03/91/1070630391.db2.gz JIUOENQBFYVZEX-OQEHDIDLSA-N 0 3 497.775 3.659 20 0 JHADHN CC(=O)N1CC[C@H](C)c2ccc(S(=O)(=O)N[C@H]3CCN(Cc4ccccc4)C[C@H]3C)cc21 ZINC001309247691 1070642475 /nfs/dbraw/zinc/64/24/75/1070642475.db2.gz AFOBMQYJVSBQIY-GLDPYIMESA-N 0 3 455.624 3.736 20 0 JHADHN CCN(C(=O)OC(C)(C)C)[C@H](C)Cn1c(-c2cccnc2)nnc1N1CCN(C(C)(C)C)CC1 ZINC001313545752 1070652109 /nfs/dbraw/zinc/65/21/09/1070652109.db2.gz IGRZQVKKLUTGKD-LJQANCHMSA-N 0 3 471.650 3.906 20 0 JHADHN CCS[C@H]1CCCCN(c2nnc(CC(C)C)n2C[C@H](C)CN2CCN(CC)CC2)C1 ZINC001314603713 1070659134 /nfs/dbraw/zinc/65/91/34/1070659134.db2.gz MLYUBJLHYCSXGF-YADHBBJMSA-N 0 3 450.741 3.862 20 0 JHADHN CCS[C@@H]1CCCCN(c2nnc([C@H]3CCCCO3)n2C[C@@H](C)N2CCN(CC)CC2)C1 ZINC001314603951 1070659300 /nfs/dbraw/zinc/65/93/00/1070659300.db2.gz OBKNIHDIYREQLA-YPAWHYETSA-N 0 3 464.724 3.658 20 0 JHADHN CCN(c1nnc(-c2cc(C)nc3ccccc32)n1C[C@H](CC(C)C)N(C)C)[C@H]1CCS(=O)(=O)C1 ZINC001313582641 1070704126 /nfs/dbraw/zinc/70/41/26/1070704126.db2.gz ORMKJRWAVLWQEC-SFTDATJTSA-N 0 3 498.697 3.791 20 0 JHADHN CCN(c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(C)(C)CN(C)C)[C@@H](C)C1CCC1 ZINC001313585260 1070710004 /nfs/dbraw/zinc/71/00/04/1070710004.db2.gz VIXNMCJBEPKRKN-SFHVURJKSA-N 0 3 461.676 3.951 20 0 JHADHN CN(C)C(=O)[C@H]1CCCN1CCCn1c(CCCc2ccccc2)nnc1N1CCC(F)(F)CC1 ZINC001314627640 1070721202 /nfs/dbraw/zinc/72/12/02/1070721202.db2.gz BZNMXLFAWFRFBU-JOCHJYFZSA-N 0 3 488.627 3.632 20 0 JHADHN CN(C)C(=O)C1(Cn2c([C@H]3CCCCO3)nnc2N2CCN(CCC(C)(C)C)CC2)CCCC1 ZINC001314627682 1070721607 /nfs/dbraw/zinc/72/16/07/1070721607.db2.gz FOLJIDBTTAAQSE-OAQYLSRUSA-N 0 3 474.694 3.727 20 0 JHADHN 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CCN(c1nnc(Cc2ccsc2)n1CC(C)(C)N1C[C@H](C)C[C@@H](C)C1)[C@H]1CCS(=O)(=O)C1 ZINC001313614243 1070738020 /nfs/dbraw/zinc/73/80/20/1070738020.db2.gz PVXCUVKJSJXDIK-SBHAEUEKSA-N 0 3 493.743 3.700 20 0 JHADHN CN(C)[C@H](Cn1c(-c2cccc(Cl)c2)nnc1N1CCC(C(N)=O)CC1)c1ccsc1 ZINC001314647227 1070749408 /nfs/dbraw/zinc/74/94/08/1070749408.db2.gz ODUCHFGTFJBNIA-LJQANCHMSA-N 0 3 459.019 3.665 20 0 JHADHN CN(C)[C@H](Cn1c(-c2cccc(OC(F)F)c2)nnc1N1CC[C@](C)(C(N)=O)C1)c1ccsc1 ZINC001314646471 1070747066 /nfs/dbraw/zinc/74/70/66/1070747066.db2.gz CJYNUHSTPMVCKI-JPYJTQIMSA-N 0 3 490.580 3.613 20 0 JHADHN CN(C)[C@@H](Cn1c(-c2ccccc2F)nnc1N1CCCC[C@H](S(C)(=O)=O)C1)C1CCCCC1 ZINC001314649081 1070754353 /nfs/dbraw/zinc/75/43/53/1070754353.db2.gz RGWLJHCPKSACGA-REWPJTCUSA-N 0 3 491.677 3.998 20 0 JHADHN CN(C)[C@H](Cn1c(-c2ccc(C(C)(C)C)cc2)nnc1N1CCNC(=O)C1)c1ccsc1 ZINC001314649671 1070756827 /nfs/dbraw/zinc/75/68/27/1070756827.db2.gz XJLHSGBQSAHGMJ-HXUWFJFHSA-N 0 3 452.628 3.543 20 0 JHADHN 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CN(C)[C@@H](Cn1c(CC(C)(C)C)nnc1N1CCC[C@H](C(=O)NC2CC2)C1)c1cccc(F)c1 ZINC001314654938 1070770889 /nfs/dbraw/zinc/77/08/89/1070770889.db2.gz IZKFWKNUSDVTNJ-UGKGYDQZSA-N 0 3 470.637 3.804 20 0 JHADHN CN(C)[C@H](Cn1c(N2CCN(C3CCCCC3)C(=O)C2)nnc1C(C)(C)C)c1cccc(F)c1 ZINC001314654900 1070770968 /nfs/dbraw/zinc/77/09/68/1070770968.db2.gz XVTZRLWSJVAWGL-JOCHJYFZSA-N 0 3 470.637 3.999 20 0 JHADHN CN(C)[C@H](Cn1c(Cc2cccnc2)nnc1N1CCO[C@@H](C(C)(C)C)C1)c1cccc(F)c1 ZINC001314655525 1070772556 /nfs/dbraw/zinc/77/25/56/1070772556.db2.gz MGJMJDUMQAFBLV-DHIUTWEWSA-N 0 3 466.605 3.957 20 0 JHADHN CCN(CC)C(=O)c1ccc(Cn2c(Cc3ccncc3)nnc2N2C[C@H](C)N(CC)C[C@@H]2C)cc1 ZINC001313636469 1070773004 /nfs/dbraw/zinc/77/30/04/1070773004.db2.gz KSJWUCSTZXDZRB-VXKWHMMOSA-N 0 3 489.668 3.713 20 0 JHADHN CCN(CC)C(=O)N1CCN(c2nnc(CC(C)(C)C)n2C[C@H](c2cccs2)N(C)C)CC1 ZINC001313650935 1070824345 /nfs/dbraw/zinc/82/43/45/1070824345.db2.gz VDOZBKDSXLQPDM-LJQANCHMSA-N 0 3 475.707 3.815 20 0 JHADHN 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CCN(CC)CC(=O)N1CCN(c2nnc(Cc3c(F)cccc3F)n2C[C@H]2CC[C@H](C)C2)CC1 ZINC001313698863 1070971781 /nfs/dbraw/zinc/97/17/81/1070971781.db2.gz OHFKNOXABOKMTR-PMACEKPBSA-N 0 3 488.627 3.574 20 0 JHADHN CCN(CC)CC(=O)N1CCN(c2nnc(COc3ccc(C)c(C)c3)n2C[C@@H]2CCC[C@H]2C)CC1 ZINC001313699038 1070972588 /nfs/dbraw/zinc/97/25/88/1070972588.db2.gz QYXXMDMDXVBJGI-VWNXMTODSA-N 0 3 496.700 3.901 20 0 JHADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccc(C(C)(C)C)cc3)n2C[C@@H](OC)C(C)C)CC1 ZINC001313700011 1070975832 /nfs/dbraw/zinc/97/58/32/1070975832.db2.gz SGBOXINOHZDSOJ-XMMPIXPASA-N 0 3 498.716 3.904 20 0 JHADHN CCN(CC)CC(=O)N1CCN(c2nnc(-c3ccccc3)n2CCC(C)(C)C2CC2)CC1 ZINC001313699852 1070975472 /nfs/dbraw/zinc/97/54/72/1070975472.db2.gz QBSQIUHEYLMDQK-UHFFFAOYSA-N 0 3 452.647 3.762 20 0 JHADHN CN(Cc1cscn1)c1nnc(-c2cccc(S(C)(=O)=O)c2)n1CC(C)(C)CN1CCCC1 ZINC001314770901 1071034449 /nfs/dbraw/zinc/03/44/49/1071034449.db2.gz JEMBOUORRCPDBS-UHFFFAOYSA-N 0 3 488.683 3.564 20 0 JHADHN 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C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(NC(=O)N(CCN(C)C)C3CCCC3)cc2)C1 ZINC001310044078 1071080721 /nfs/dbraw/zinc/08/07/21/1071080721.db2.gz YNTLDUIUGBSJCT-KDURUIRLSA-N 0 3 450.649 3.691 20 0 JHADHN CN(C)[C@@H](Cn1c(Cc2ccccn2)nnc1N(C)C[C@H]1CCCCO1)c1cccc(F)c1 ZINC001314802513 1071084943 /nfs/dbraw/zinc/08/49/43/1071084943.db2.gz MPDQJYYFNKEZCB-PKTZIBPZSA-N 0 3 452.578 3.711 20 0 JHADHN CCN(C[C@@H]1CCCO1)c1nnc([C@@H](C)Oc2ccccc2F)n1CCN1CCN(C)C(C)(C)C1 ZINC001313772208 1071124075 /nfs/dbraw/zinc/12/40/75/1071124075.db2.gz PKYQGRWAKWFZHC-RTWAWAEBSA-N 0 3 488.652 3.589 20 0 JHADHN CCN(CCc1ccccc1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1C[C@@H](C1CCCCC1)N(C)C ZINC001313790438 1071183016 /nfs/dbraw/zinc/18/30/16/1071183016.db2.gz CJZFORPWLRHGNE-RPWUZVMVSA-N 0 3 487.714 3.760 20 0 JHADHN CN(CCCCCO)c1nnc([C@@H]2CCCOC2)n1CC(C)(C)N1CCc2ccccc2C1 ZINC001314844883 1071199672 /nfs/dbraw/zinc/19/96/72/1071199672.db2.gz CERBMOKVZHAODM-HSZRJFAPSA-N 0 3 455.647 3.608 20 0 JHADHN 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CC(C)N(C)c1cccc(NC(=O)N2CCC[C@@H](CN3CCN(c4ccccn4)CC3)C2)c1 ZINC001310264783 1071249769 /nfs/dbraw/zinc/24/97/69/1071249769.db2.gz SGMGRMIYTVEGQD-QFIPXVFZSA-N 0 3 450.631 3.992 20 0 JHADHN CN(CCn1c(Cc2ccccn2)nnc1N(C)Cc1nccs1)Cc1ccc(F)cc1 ZINC001314862881 1071257438 /nfs/dbraw/zinc/25/74/38/1071257438.db2.gz IRLNCWUMMDGVIS-UHFFFAOYSA-N 0 3 451.575 3.628 20 0 JHADHN CCN(CCn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H](c2nc(C)no2)C1)CCC(F)(F)F ZINC001313813631 1071255451 /nfs/dbraw/zinc/25/54/51/1071255451.db2.gz VMNWBKCHSMYEKH-GOSISDBHSA-N 0 3 492.550 3.998 20 0 JHADHN CCN(CCn1c(Cc2ccsc2)nnc1N1CCN(CC(C)C)CC1)C(=O)OC(C)(C)C ZINC001313817473 1071265340 /nfs/dbraw/zinc/26/53/40/1071265340.db2.gz UMECHIZUIYELLE-UHFFFAOYSA-N 0 3 476.691 3.965 20 0 JHADHN CN(CCn1c([C@H]2CCCOC2)nnc1N1CCC[C@H](OCC(F)(F)F)C1)Cc1ccc(F)cc1 ZINC001314866038 1071268605 /nfs/dbraw/zinc/26/86/05/1071268605.db2.gz PSQQGMJFUBFQPB-FPOVZHCZSA-N 0 3 499.553 3.991 20 0 JHADHN CCn1cc(Cn2c(COc3ccc(Cl)cc3)nnc2N2CCN(C(C)(C)C)CC2)cn1 ZINC001313850753 1071347678 /nfs/dbraw/zinc/34/76/78/1071347678.db2.gz XYIBMTCVISTZRV-UHFFFAOYSA-N 0 3 458.010 3.696 20 0 JHADHN CCN1CCN(Cc2ccc(CNC(=O)Nc3ccc(C(C)(C)C(=O)OC)cc3)cc2)CC1 ZINC001310374641 1071350441 /nfs/dbraw/zinc/35/04/41/1071350441.db2.gz ZOBPMNNSJYMJNN-UHFFFAOYSA-N 0 3 452.599 3.596 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(C(=O)NC(C)C)n2CCSCc2ccc(C)cc2)C[C@H]1C ZINC001313858103 1071358529 /nfs/dbraw/zinc/35/85/29/1071358529.db2.gz GFDSKCLQINVDFG-UXHICEINSA-N 0 3 458.676 3.577 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3cc(F)ccc3Br)n2Cc2cnn(C)c2C)C[C@H]1C ZINC001313858346 1071359892 /nfs/dbraw/zinc/35/98/92/1071359892.db2.gz APUBNGJDOQQKGW-CABCVRRESA-N 0 3 490.425 3.856 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2Cc2cccc(C(F)(F)F)c2)C[C@@H]1C ZINC001313857870 1071357251 /nfs/dbraw/zinc/35/72/51/1071357251.db2.gz DITSUKLMWIWCQH-IRXDYDNUSA-N 0 3 487.530 3.911 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(-c3cccc(Br)c3)n2CCCCCO)C[C@H]1C ZINC001313859471 1071363718 /nfs/dbraw/zinc/36/37/18/1071363718.db2.gz GJDSLJAPKJPPTP-IAGOWNOFSA-N 0 3 450.425 3.789 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3cccc(Br)c3)n2CCCO[C@@H]2CCOC2)C[C@@H]1C ZINC001313859494 1071364544 /nfs/dbraw/zinc/36/45/44/1071364544.db2.gz GVJPSGMULORWBD-BBTUJRGHSA-N 0 3 492.462 3.822 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3ccc(C(C)(C)C)cc3)n2CCN2CCOC[C@H]2C)C[C@@H]1C ZINC001313859627 1071365368 /nfs/dbraw/zinc/36/53/68/1071365368.db2.gz HIHKDZMYNJWCHS-FDFHNCONSA-N 0 3 468.690 3.882 20 0 JHADHN CN(C)CCN(Cc1ccc(F)cc1F)C(=O)Nc1cccn(Cc2ccc(F)cc2)c1=O ZINC001310407711 1071371930 /nfs/dbraw/zinc/37/19/30/1071371930.db2.gz XNHAKCHRJLYEHZ-UHFFFAOYSA-N 0 3 458.484 3.910 20 0 JHADHN CCN1C[C@H](C)N(c2nnc([C@@H](C)OCCOC)n2CCc2ccc(F)c(F)c2F)C[C@@H]1C ZINC001313860777 1071370812 /nfs/dbraw/zinc/37/08/12/1071370812.db2.gz LITSATBDUIYSJJ-YESZJQIVSA-N 0 3 469.552 3.581 20 0 JHADHN CC[C@@H](C)NS(=O)(=O)c1cccc(NC(=O)N[C@@H](CN(C)C)c2ccc(Cl)cc2)c1 ZINC001310409066 1071373431 /nfs/dbraw/zinc/37/34/31/1071373431.db2.gz QEBWGOLNZCXKQZ-QRWLVFNGSA-N 0 3 453.008 3.841 20 0 JHADHN CC[C@H](C)NS(=O)(=O)c1cccc(NC(=O)N[C@@H](CN(C)C)c2ccc(Cl)cc2)c1 ZINC001310409067 1071373512 /nfs/dbraw/zinc/37/35/12/1071373512.db2.gz QEBWGOLNZCXKQZ-YWZLYKJASA-N 0 3 453.008 3.841 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCCn2ccnc2C)C[C@H]1C ZINC001313863675 1071382483 /nfs/dbraw/zinc/38/24/83/1071382483.db2.gz WJWFYYOWEQSYGP-RTWAWAEBSA-N 0 3 478.645 3.661 20 0 JHADHN CCN1C[C@H](C)N(c2nnc([C@H](C)OCCOC)n2Cc2c(F)cc(F)c(F)c2F)C[C@H]1C ZINC001313863282 1071380823 /nfs/dbraw/zinc/38/08/23/1071380823.db2.gz SUMVBXQFAFSAAP-ILXRZTDVSA-N 0 3 473.515 3.526 20 0 JHADHN CCN1C[C@H](C)N(c2nnc([C@H](C)Oc3ccc(F)cc3)n2Cc2cnn(C)c2C)C[C@@H]1C ZINC001313863868 1071383942 /nfs/dbraw/zinc/38/39/42/1071383942.db2.gz ULDARUGSQSMAOD-LNLFQRSKSA-N 0 3 455.582 3.566 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(-c3cnn(C)c3)n2CCc2cc(Br)ccc2F)C[C@@H]1C ZINC001313864015 1071385314 /nfs/dbraw/zinc/38/53/14/1071385314.db2.gz LHNDFRXYFVMWAR-JKSUJKDBSA-N 0 3 490.425 3.742 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(-c3ccc(Cl)nc3)n2Cc2ccc(OC)c(OC)c2)C[C@@H]1C ZINC001313864539 1071386958 /nfs/dbraw/zinc/38/69/58/1071386958.db2.gz FZJBQOPKGIAGHM-DLBZAZTESA-N 0 3 471.005 3.978 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(CCc3ccccc3)n2Cc2nccc(C(F)F)n2)C[C@H]1C ZINC001313865470 1071392474 /nfs/dbraw/zinc/39/24/74/1071392474.db2.gz BAFHMHMTNCMBCK-MSOLQXFVSA-N 0 3 455.557 3.758 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(-c3cnccn3)n2Cc2cc(Br)cs2)C[C@@H]1C ZINC001313865024 1071390151 /nfs/dbraw/zinc/39/01/51/1071390151.db2.gz NOGBQNDTWDVVFU-UONOGXRCSA-N 0 3 462.421 3.526 20 0 JHADHN CC[C@H](C)NS(=O)(=O)Cc1cccc(NC(=O)N[C@]2(C)CCN(Cc3ccccc3)C2)c1 ZINC001310447424 1071395988 /nfs/dbraw/zinc/39/59/88/1071395988.db2.gz ZGYPLZALBPYOAP-YADARESESA-N 0 3 458.628 3.691 20 0 JHADHN CN1CCN(Cc2ccc(CNC(=O)Nc3ccc(C(=O)OC(C)(C)C)cc3F)cc2)CC1 ZINC001310451194 1071397418 /nfs/dbraw/zinc/39/74/18/1071397418.db2.gz LGNQEDCHUBRHBG-UHFFFAOYSA-N 0 3 456.562 3.850 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(CCc3ccc(OC)cc3)n2C[C@@H]2CCC[C@H]2OC)C[C@@H]1C ZINC001313867035 1071397429 /nfs/dbraw/zinc/39/74/29/1071397429.db2.gz IALCDNYYKTYUKS-CGCKEFBRSA-N 0 3 455.647 3.806 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3ccc(OC)c(OC)c3)n2C[C@@H]2CCO[C@H]2C(C)C)C[C@@H]1C ZINC001313867138 1071398054 /nfs/dbraw/zinc/39/80/54/1071398054.db2.gz LPMNFQIRVPMCRU-RSKVWTTASA-N 0 3 471.646 3.942 20 0 JHADHN CCN1C[C@H](C)N(c2nnc([C@H]3CCCOC3)n2Cc2cc(Cl)c(OC)c(OC)c2)C[C@H]1C ZINC001313867403 1071400023 /nfs/dbraw/zinc/40/00/23/1071400023.db2.gz KGAZRQZGGZYCEU-AOIWGVFYSA-N 0 3 478.037 3.810 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(CCCOc3ccc(Cl)cc3C)n2CC2(O)CC2)C[C@H]1C ZINC001313867174 1071399242 /nfs/dbraw/zinc/39/92/42/1071399242.db2.gz IAPPXLCRWUMMCN-MOPGFXCFSA-N 0 3 462.038 3.695 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(Cc3csc(C)n3)n2Cc2ccc(OCCOC)cc2)C[C@@H]1C ZINC001313867859 1071401738 /nfs/dbraw/zinc/40/17/38/1071401738.db2.gz LJAGWURUVLTHQP-RBUKOAKNSA-N 0 3 484.670 3.626 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(Cc3ccccn3)n2CCOc2ccc(Cl)cc2)C[C@@H]1C ZINC001313868149 1071402546 /nfs/dbraw/zinc/40/25/46/1071402546.db2.gz AUTYXNVFJYUMJK-RBUKOAKNSA-N 0 3 455.006 3.915 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(Cc3cn4ccccc4n3)n2CCSCC(C)C)C[C@@H]1C ZINC001313869413 1071408382 /nfs/dbraw/zinc/40/83/82/1071408382.db2.gz PNCUZBKRYLMHDE-PMACEKPBSA-N 0 3 455.676 3.825 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3cccnc3)n2CCC2CCN(CC(F)(F)F)CC2)C[C@H]1C ZINC001313870082 1071411543 /nfs/dbraw/zinc/41/15/43/1071411543.db2.gz FKCNSJLTADQMSY-MOPGFXCFSA-N 0 3 479.595 3.923 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3ccccn3)n2C[C@](O)(c2ccccc2)C(F)(F)F)C[C@@H]1C ZINC001313869999 1071411572 /nfs/dbraw/zinc/41/15/72/1071411572.db2.gz DQPMYVGHBNVHSL-BSRJHKFKSA-N 0 3 474.531 3.709 20 0 JHADHN CCN1C[C@H](C)N(c2nnc([C@H]3CCCN(C(=O)OC(C)(C)C)C3)n2CCOC(C)C)C[C@@H]1C ZINC001313870304 1071412243 /nfs/dbraw/zinc/41/22/43/1071412243.db2.gz QINFTPQQQIJEFY-ACRUOGEOSA-N 0 3 478.682 3.737 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3ccccn3)n2CCCN(C)c2ccccc2F)C[C@H]1C ZINC001313870871 1071415122 /nfs/dbraw/zinc/41/51/22/1071415122.db2.gz FVROWLYCRHGCCS-UXHICEINSA-N 0 3 451.594 3.925 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(CCOc3ccccc3)n2CC2(O)CCCCCC2)C[C@@H]1C ZINC001313871082 1071415881 /nfs/dbraw/zinc/41/58/81/1071415881.db2.gz WQZHNQAEVULOTC-FCHUYYIVSA-N 0 3 455.647 3.904 20 0 JHADHN CCN1C[C@H](C)N(c2nnc([C@@H]3COCCN3C(=O)OC(C)(C)C)n2Cc2cccc(C)c2)C[C@H]1C ZINC001313871878 1071419192 /nfs/dbraw/zinc/41/91/92/1071419192.db2.gz UPMXPMJYKISKTB-GIWBLDEGSA-N 0 3 498.672 3.862 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3cccnc3)n2C[C@H](C)Oc2ccccc2OC)C[C@H]1C ZINC001313872658 1071422741 /nfs/dbraw/zinc/42/27/41/1071422741.db2.gz KBKZNSAPUAQBCU-AABGKKOBSA-N 0 3 450.587 3.735 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3ccccn3)n2Cc2cccnc2OCC(F)(F)F)C[C@@H]1C ZINC001313872688 1071422857 /nfs/dbraw/zinc/42/28/57/1071422857.db2.gz KFHPZBXXPYKPGJ-IRXDYDNUSA-N 0 3 475.519 3.643 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(-c3ccccn3)n2Cc2cccnc2OCC(F)(F)F)C[C@@H]1C ZINC001313872686 1071422959 /nfs/dbraw/zinc/42/29/59/1071422959.db2.gz KFHPZBXXPYKPGJ-DLBZAZTESA-N 0 3 475.519 3.643 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(COc3ccc(C)cc3)n2CCCNC(=O)c2occc2C)C[C@H]1C ZINC001313873007 1071424052 /nfs/dbraw/zinc/42/40/52/1071424052.db2.gz BPIULJSSRVOVCF-FGZHOGPDSA-N 0 3 494.640 3.806 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(CNC(=O)c3cccs3)n2C[C@H](C)c2ccccc2)C[C@@H]1C ZINC001313873514 1071425516 /nfs/dbraw/zinc/42/55/16/1071425516.db2.gz CSRUPFZXMQRLTB-UFYCRDLUSA-N 0 3 466.655 3.992 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(-c3ccccc3OC)n2CCOCC(F)(F)C(F)F)C[C@@H]1C ZINC001313875393 1071433887 /nfs/dbraw/zinc/43/38/87/1071433887.db2.gz RXTLESOZUQMYFU-JKSUJKDBSA-N 0 3 473.515 3.790 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(Cc3ccc(F)cc3)n2CCCN(C)CC(F)(F)F)C[C@H]1C ZINC001313876129 1071436928 /nfs/dbraw/zinc/43/69/28/1071436928.db2.gz QZMVCUBPUZUBCY-QZTJIDSGSA-N 0 3 470.559 3.811 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3ccccc3C)n2CCC(=O)N2CCCCCC2)C[C@@H]1C ZINC001313877320 1071441387 /nfs/dbraw/zinc/44/13/87/1071441387.db2.gz WQBQUKFDRLCDCD-VXKWHMMOSA-N 0 3 452.647 3.965 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(-c3ccccc3Br)n2CCC2(O)CCC2)C[C@@H]1C ZINC001313878844 1071446055 /nfs/dbraw/zinc/44/60/55/1071446055.db2.gz ZCKSXSILIZCYQX-DLBZAZTESA-N 0 3 462.436 3.932 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(Cc3ccccn3)n2C[C@](C)(O)c2cccc(Cl)c2)C[C@@H]1C ZINC001313879243 1071448525 /nfs/dbraw/zinc/44/85/25/1071448525.db2.gz ZIIAEDZRPQWZGV-MHPIHPPYSA-N 0 3 469.033 3.744 20 0 JHADHN CCN1C[C@H](C)N(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@]2(O)CCC[C@@H]2C)C[C@@H]1C ZINC001313882676 1071458083 /nfs/dbraw/zinc/45/80/83/1071458083.db2.gz GCOSOPDLJKBTSZ-DLIIQVSUSA-N 0 3 490.693 3.519 20 0 JHADHN CCN1C[C@H](C)N(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2CCc2ccc(O)cc2)C[C@@H]1C ZINC001313882439 1071458361 /nfs/dbraw/zinc/45/83/61/1071458361.db2.gz FXQGKXNPOSUYPJ-BLKABHOGSA-N 0 3 498.672 3.916 20 0 JHADHN CCN1C[C@H](C)N(c2nnc([C@H]3OCC[C@H]3COC)n2CCc2ccc(C)cc2C)C[C@H]1C ZINC001313885378 1071465821 /nfs/dbraw/zinc/46/58/21/1071465821.db2.gz OTYFHEVEUFRFFU-KJBBBAAKSA-N 0 3 455.647 3.781 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(CSc3ccccc3OC)n2Cc2ncnn2C(C)(C)C)C[C@H]1C ZINC001313886341 1071469842 /nfs/dbraw/zinc/46/98/42/1071469842.db2.gz SBKJBKLZCAURPO-MOPGFXCFSA-N 0 3 498.701 3.893 20 0 JHADHN CCn1cccc(Cn2c(CSc3ccccc3OC)nnc2N2C[C@@H](C)N(CC)C[C@H]2C)c1=O ZINC001313886310 1071469933 /nfs/dbraw/zinc/46/99/33/1071469933.db2.gz RLDUTKZIYJMCFH-WOJBJXKFSA-N 0 3 496.681 3.728 20 0 JHADHN CCN1C[C@H](C)N(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2CCc2c(C)noc2C)C[C@H]1C ZINC001313887795 1071474254 /nfs/dbraw/zinc/47/42/54/1071474254.db2.gz VZOUUZWVTHVWJS-WOSNLTMFSA-N 0 3 458.651 3.963 20 0 JHADHN CCN1CCC[C@H]1Cn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N(C)CCOC(C)(C)C ZINC001313897435 1071502731 /nfs/dbraw/zinc/50/27/31/1071502731.db2.gz JMSJXHYMJTWYKM-FQEVSTJZSA-N 0 3 477.053 3.597 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCC[C@H](C(C)C)C2)CC1 ZINC001313919710 1071557570 /nfs/dbraw/zinc/55/75/70/1071557570.db2.gz FMFGAIUGJWCAQY-OALUTQOASA-N 0 3 492.510 3.934 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(-c3ccc(C)c(Br)c3)nnc2N2CCSCC2)CC1 ZINC001313920794 1071559910 /nfs/dbraw/zinc/55/99/10/1071559910.db2.gz MJZSGXGDYGZGIS-GOSISDBHSA-N 0 3 493.519 3.595 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(-c3ccccc3F)nnc2N(C)C[C@@H](C)c2nccs2)CC1 ZINC001313925367 1071573312 /nfs/dbraw/zinc/57/33/12/1071573312.db2.gz PDOATOWCVUBGEV-MOPGFXCFSA-N 0 3 471.650 3.807 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(CC(C)(C)C)nnc2N(C)CCOc2ccccc2F)CC1 ZINC001313926073 1071575396 /nfs/dbraw/zinc/57/53/96/1071575396.db2.gz BWKQDBVTQCBOMU-FQEVSTJZSA-N 0 3 460.642 3.547 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(COc3cccc(C)c3)nnc2N2CCC[C@@](C)(OC)CC2)CC1 ZINC001313926518 1071577026 /nfs/dbraw/zinc/57/70/26/1071577026.db2.gz DDPBSYNOBJTOPW-WNCULLNHSA-N 0 3 484.689 3.587 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(N3CCC([C@@H](O)c4ccc(F)cc4)CC3)nnc2C(C)(C)C)CC1 ZINC001313926980 1071578128 /nfs/dbraw/zinc/57/81/28/1071578128.db2.gz GRVYKTVQJRXKSA-RDPSFJRHSA-N 0 3 486.680 3.691 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(N(C)CCC(F)F)nnc2C2(c3ccccc3)CCC2)CC1 ZINC001313927241 1071579298 /nfs/dbraw/zinc/57/92/98/1071579298.db2.gz JITIXGCFDVLYOP-FQEVSTJZSA-N 0 3 460.617 3.866 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(Cc3ccc(F)cc3)nnc2N2CCO[C@@](C)(C(C)(C)C)C2)CC1 ZINC001313927609 1071580802 /nfs/dbraw/zinc/58/08/02/1071580802.db2.gz KQTFLJCCFVLEDR-KDYSTLNUSA-N 0 3 486.680 3.675 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N2CCCC[C@H](SC)C2)CC1 ZINC001313927861 1071581945 /nfs/dbraw/zinc/58/19/45/1071581945.db2.gz PKRCZOXRBBYQGN-MYDTUXCISA-N 0 3 492.778 3.945 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(CSc3ccc(C)cc3)nnc2N2CCO[C@@H](C(C)C)C2)CC1 ZINC001313928106 1071582716 /nfs/dbraw/zinc/58/27/16/1071582716.db2.gz QEEITJHACSWUAC-LADGPHEKSA-N 0 3 486.730 3.766 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(COc3ccc(OC)cc3)nnc2N2CCC(C(C)C)CC2)CC1 ZINC001313929375 1071586831 /nfs/dbraw/zinc/58/68/31/1071586831.db2.gz ZEXONPNXEGXBGZ-QFIPXVFZSA-N 0 3 484.689 3.764 20 0 JHADHN CCN1CCN([C@@H]2CCN(c3nnc(-c4cc(Br)c[nH]4)n3CCC=C(C)C)C2)CC1 ZINC001313945823 1071627363 /nfs/dbraw/zinc/62/73/63/1071627363.db2.gz URMGRQSGNAXZPL-LJQANCHMSA-N 0 3 476.467 3.608 20 0 JHADHN CCN1CCN(c2nnc(CSc3ccc(C)cc3)n2C[C@@H]2CN(CC(C)C)CCO2)C[C@H]1C ZINC001313949374 1071635751 /nfs/dbraw/zinc/63/57/51/1071635751.db2.gz PHMWMFPTJJTYQB-PKTZIBPZSA-N 0 3 486.730 3.766 20 0 JHADHN CCN1CCN(C[C@@H](C)Cn2c(C)nnc2N2CCC(=Cc3cccc(OC)c3)CC2)CC1 ZINC001313951795 1071643575 /nfs/dbraw/zinc/64/35/75/1071643575.db2.gz WIHJVYPGAXADNQ-OAQYLSRUSA-N 0 3 452.647 3.553 20 0 JHADHN CCN1CCN(C[C@H](C)Cn2c(N3CCCO[C@@H](c4ccccc4)C3)nnc2C(C)(C)C)CC1 ZINC001313952525 1071645824 /nfs/dbraw/zinc/64/58/24/1071645824.db2.gz RJRQOGDGHNKMQM-LADGPHEKSA-N 0 3 468.690 3.817 20 0 JHADHN 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CC[C@@H]1[C@@H](C)CCN1c1nnc([C@@H](C)OCCOC)n1CC1(N2CCSCC2)CCCC1 ZINC001306260069 1068669475 /nfs/dbraw/zinc/66/94/75/1068669475.db2.gz JZNJKZCQJUVSSE-PWRODBHTSA-N 0 3 465.708 3.989 20 0 JHADHN CC[C@@H]1CCCCN1CCn1c(-c2ccccc2Cl)nnc1N(C)CCS(=O)(=O)CC ZINC001306318193 1068740482 /nfs/dbraw/zinc/74/04/82/1068740482.db2.gz FHOTZJRLSRZVEG-GOSISDBHSA-N 0 3 468.067 3.734 20 0 JHADHN CC[C@H]1CCCN1c1nnc([C@@]2(OC(C)C)CCOC2)n1CCN(C)Cc1ccc(F)cc1 ZINC001306344720 1068781693 /nfs/dbraw/zinc/78/16/93/1068781693.db2.gz FVVTUANGNNLZJJ-WIOPSUGQSA-N 0 3 459.610 3.969 20 0 JHADHN CC[C@H]1CN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2CCCN2CCN(CC)CC2)CCS1 ZINC001306390593 1068828593 /nfs/dbraw/zinc/82/85/93/1068828593.db2.gz HZZWYKNUIQHZPQ-QHCPKHFHSA-N 0 3 499.729 3.507 20 0 JHADHN COc1ccc([C@H](NC(C)C)C(=O)NCCCN2CCN(c3ccccc3Cl)CC2)cc1 ZINC001306434748 1068938010 /nfs/dbraw/zinc/93/80/10/1068938010.db2.gz GYUPEILZKHBRPA-DEOSSOPVSA-N 0 3 459.034 3.716 20 0 JHADHN CC[C@@H]1CN(c2nnc(CC(C)C)n2CCN2CC=CCC2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC001306441391 1068949634 /nfs/dbraw/zinc/94/96/34/1068949634.db2.gz RPVQWQKVDXVGBW-RTWAWAEBSA-N 0 3 460.667 3.868 20 0 JHADHN CC[C@H]1CN(c2nnc(CC(C)C)n2CCN2CC=CCC2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC001306441392 1068949736 /nfs/dbraw/zinc/94/97/36/1068949736.db2.gz RPVQWQKVDXVGBW-SFTDATJTSA-N 0 3 460.667 3.868 20 0 JHADHN C[C@@H]1C[C@@H](NC(=O)Nc2ccccc2OCC(=O)Nc2cccnc2)CN1Cc1ccccc1 ZINC001310513737 1068994619 /nfs/dbraw/zinc/99/46/19/1068994619.db2.gz SXYXBKYQTFJHEJ-DENIHFKCSA-N 0 3 459.550 3.884 20 0 JHADHN CC[C@H]1CN(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@H](c2ccccc2)N(C)C)CCO1 ZINC001306464570 1069001334 /nfs/dbraw/zinc/00/13/34/1069001334.db2.gz LZWMETWAHYTYEM-GSPCLOLRSA-N 0 3 498.672 3.967 20 0 JHADHN CC/C=C\Cn1c(-c2ccc(OC)cc2OC)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC001306471389 1069015287 /nfs/dbraw/zinc/01/52/87/1069015287.db2.gz WHAUQXQWXLTGRJ-GIWCCYDRSA-N 0 3 468.646 3.533 20 0 JHADHN CCN1CCN(c2cccc(NC(=O)N3CCC[C@H](C4N=NC(=S)N4C(C)C)C3)c2)CC1 ZINC001310596950 1069040419 /nfs/dbraw/zinc/04/04/19/1069040419.db2.gz NIVYNWQUZUPPCG-SFHVURJKSA-N 0 3 457.648 3.701 20 0 JHADHN CCCC(=O)NC1CCN(c2nnc(C(C)(C)C)n2CCCN2CCc3ccccc3C2)CC1 ZINC001306504829 1069079305 /nfs/dbraw/zinc/07/93/05/1069079305.db2.gz HRESUVCBWDEXRB-UHFFFAOYSA-N 0 3 466.674 3.909 20 0 JHADHN CN1CCN(CCNC(=O)Nc2ccc(Oc3ncc(Cl)cn3)c(Cl)c2)CC1(C)C ZINC001310653099 1069086836 /nfs/dbraw/zinc/08/68/36/1069086836.db2.gz LVYWYEAVBNJQHB-UHFFFAOYSA-N 0 3 453.374 3.723 20 0 JHADHN CCC[C@@](C)(O)Cn1c(-c2ccccc2Cl)nnc1N(C)C1CCN(CCn2cccn2)CC1 ZINC001306532997 1069175416 /nfs/dbraw/zinc/17/54/16/1069175416.db2.gz RTRPLLSKDKJJGF-RUZDIDTESA-N 0 3 486.064 3.947 20 0 JHADHN CCCC(O)(CCC)Cn1c(-c2cccc(C)n2)nnc1N1CC[C@H](N2CCN(C(C)C)CC2)C1 ZINC001306596910 1069271244 /nfs/dbraw/zinc/27/12/44/1069271244.db2.gz WLJZAYSQBFZREA-QHCPKHFHSA-N 0 3 483.705 3.585 20 0 JHADHN CCC[C@@H]1CN(c2nnc(C)n2CCc2ccc(Br)s2)CCN1CCOC ZINC001306615717 1069295940 /nfs/dbraw/zinc/29/59/40/1069295940.db2.gz HLSBDFKCVBLPSE-MRXNPFEDSA-N 0 3 456.454 3.590 20 0 JHADHN CCC[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3)n2Cc2cc(C)no2)CCN1CCOC ZINC001306618171 1069300956 /nfs/dbraw/zinc/30/09/56/1069300956.db2.gz CXPSQWDOBGJWKJ-HXUWFJFHSA-N 0 3 458.994 3.880 20 0 JHADHN CCC[C@@H]1CN(c2nnc(-c3ccc(Cl)cc3Cl)n2C[C@H]2COCCO2)CCN1CCOC ZINC001306619077 1069302914 /nfs/dbraw/zinc/30/29/14/1069302914.db2.gz IKRHYOAQKNERTA-MOPGFXCFSA-N 0 3 498.455 3.604 20 0 JHADHN CCC[C@H]1CN(c2nnc(-c3ccc(CC)cc3)n2C[C@@H](C)N2CCN(CC)CC2)CCO1 ZINC001306620606 1069307478 /nfs/dbraw/zinc/30/74/78/1069307478.db2.gz QVTRCLPZQSCKII-QPPBQGQZSA-N 0 3 454.663 3.539 20 0 JHADHN COC(=O)Cn1ncc2ccc(NC(=O)NC[C@H](c3cccs3)N3CCC(C)CC3)cc21 ZINC001311249515 1069308656 /nfs/dbraw/zinc/30/86/56/1069308656.db2.gz PEPOJYWTCGLDEV-HXUWFJFHSA-N 0 3 455.584 3.866 20 0 JHADHN COCCOCCOc1cccc(NC(=O)NC2CC(N3CCC(C(F)(F)F)CC3)C2)c1 ZINC001311254854 1069308915 /nfs/dbraw/zinc/30/89/15/1069308915.db2.gz RQWJQEIIRKNQPF-UHFFFAOYSA-N 0 3 459.509 3.655 20 0 JHADHN O=C1OC2(CCN(Cc3ccccc3)CC2)c2cnc(Cl)c(N3CC[C@@H]4COC[C@@H]4C3)c21 ZINC001164387192 718818459 /nfs/dbraw/zinc/81/84/59/718818459.db2.gz DZZCKMPFGKLRSL-MOPGFXCFSA-N 0 3 453.970 3.869 20 0 JHADHN c1csc(-c2csc3nc(CN4CCCCC4)nc(N4CC[C@H]5NCCO[C@H]5C4)c23)c1 ZINC001164390102 718824916 /nfs/dbraw/zinc/82/49/16/718824916.db2.gz MKHKHEYHCILVBP-MSOLQXFVSA-N 0 3 455.653 3.973 20 0 JHADHN CCOC(=O)C1CCN(C2CCN(C(F)(F)COC(=O)Nc3cccnc3Cl)CC2)CC1 ZINC001164617635 719034738 /nfs/dbraw/zinc/03/47/38/719034738.db2.gz OJOSDTDTEDWYEB-UHFFFAOYSA-N 0 3 474.936 3.616 20 0 JHADHN C[C@@H]1CN(c2c3c(cnc2Cl)C2(CCN(Cc4ccccc4)CC2)OC3=O)[C@@H](C)CN1C ZINC001164643611 719229406 /nfs/dbraw/zinc/22/94/06/719229406.db2.gz ZPIZVBDQRPLMTG-MSOLQXFVSA-N 0 3 455.002 3.926 20 0 JHADHN COC(=O)/C=C\c1ccc(NC(=O)C(C)(C)C)c(N2CC[C@@H]3[C@H]2CCN3Cc2cccnc2)n1 ZINC001164735683 720417024 /nfs/dbraw/zinc/41/70/24/720417024.db2.gz XNAROPAAFVEXLF-FCJGBKHDSA-N 0 3 463.582 3.501 20 0 JHADHN COCc1nc2scc(-c3ccccc3)c2c(N2CCN3C[C@H](Oc4cncnc4)C[C@H]3C2)n1 ZINC001164737901 720786269 /nfs/dbraw/zinc/78/62/69/720786269.db2.gz DKOZQXPZUYGVOD-RBUKOAKNSA-N 0 3 474.590 3.637 20 0 JHADHN CN(C)Cc1nc2scc(-c3ccccc3)c2c(N2CCN3C[C@@H](Oc4cncnc4)C[C@H]3C2)n1 ZINC001164743520 720792764 /nfs/dbraw/zinc/79/27/64/720792764.db2.gz GMRULSXZENHWRJ-PMACEKPBSA-N 0 3 487.633 3.552 20 0 JHADHN C[C@@H]1CCCCN1c1nc2ccccc2nc1N1CCN2C[C@@H](OCc3cccnc3)C[C@H]2C1 ZINC001164878218 721142408 /nfs/dbraw/zinc/14/24/08/721142408.db2.gz PRSHYMJHSZAMQQ-PUHATCMVSA-N 0 3 458.610 3.883 20 0 JHADHN Clc1cccc(COc2cncc(N3CCN4C[C@@H](OCc5cccnc5)C[C@H]4C3)n2)c1 ZINC001164881217 721181943 /nfs/dbraw/zinc/18/19/43/721181943.db2.gz ZZLJQZWIPGGOSK-VXKWHMMOSA-N 0 3 451.958 3.584 20 0 JHADHN Cc1sc2nc(CN3CCCCC3)nc(N3C[C@H]4CCN(Cc5cnn(C)c5)C[C@H]4C3)c2c1C ZINC001164767705 721199310 /nfs/dbraw/zinc/19/93/10/721199310.db2.gz KJKNPGFWFZXAFX-YADHBBJMSA-N 0 3 479.698 3.986 20 0 JHADHN Cn1cc(CN2CC[C@@H]3CN(c4ncnc5cc(OCc6ccccc6)ccc54)C[C@@H]3C2)cn1 ZINC001164769780 721236475 /nfs/dbraw/zinc/23/64/75/721236475.db2.gz ZPQXHSBHFYBBOY-PKTZIBPZSA-N 0 3 454.578 3.901 20 0 JHADHN CN1CCN(C[C@H]2CCC[C@]3(CCN(c4ncnc5[nH]c6ccc(Cl)cc6c54)C3)O2)CC1 ZINC001164895388 721429841 /nfs/dbraw/zinc/42/98/41/721429841.db2.gz OHCZLRAASCWGBW-HOYKHHGWSA-N 0 3 455.006 3.530 20 0 JHADHN Fc1cccc(O[C@@H]2C[C@H]3CN(c4nc(Cl)nc5c4ncn5[C@H]4CCCCO4)CCN3C2)c1 ZINC001164904630 721532877 /nfs/dbraw/zinc/53/28/77/721532877.db2.gz FPXPMHLFYRMTJA-QXAKKESOSA-N 0 3 472.952 3.660 20 0 JHADHN CCOC(Cc1c(Cl)ncnc1N1CCN2C[C@@H](Oc3cccc(F)c3)C[C@@H]2C1)OCC ZINC001164905210 721533915 /nfs/dbraw/zinc/53/39/15/721533915.db2.gz GQGWJOKSKOERPN-MJGOQNOKSA-N 0 3 464.969 3.553 20 0 JHADHN Cc1nc(CN2CCOC[C@@]3(CN(c4nc(N5CCCC5)cc5ccccc54)CCO3)C2)cs1 ZINC001164921111 721832731 /nfs/dbraw/zinc/83/27/31/721832731.db2.gz IIHFTNGIQRPTMF-SANMLTNESA-N 0 3 479.650 3.708 20 0 JHADHN c1cc(CN2CCOCC3(CCN(c4nc(-c5ccncc5)nc5c4CCC5)CC3)C2)ccn1 ZINC001164963479 722060926 /nfs/dbraw/zinc/06/09/26/722060926.db2.gz ZWLCBQAVISVUGH-UHFFFAOYSA-N 0 3 456.594 3.541 20 0 JHADHN Clc1nc2c(c(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)n1)CN(Cc1ccccc1)C2 ZINC001164982349 722108465 /nfs/dbraw/zinc/10/84/65/722108465.db2.gz NRXCEDHYQXXQIS-RCZVLFRGSA-N 0 3 491.039 3.768 20 0 JHADHN FC(F)(c1cccc2c(Cl)ncnc21)N1CC[C@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164975167 722145270 /nfs/dbraw/zinc/14/52/70/722145270.db2.gz FAAJJLSSJVNVLL-PXNSSMCTSA-N 0 3 459.928 3.950 20 0 JHADHN O=C(OCc1ccccc1)c1ccc(N2CC[C@H]3CN(Cc4cccnc4)CCO[C@H]3C2)nc1 ZINC001164979635 722145942 /nfs/dbraw/zinc/14/59/42/722145942.db2.gz LPYNEKUNYWVIER-DQEYMECFSA-N 0 3 458.562 3.561 20 0 JHADHN CCC[C@@H]1CN(c2nnc(-c3cccc(C)n3)n2C[C@](C)(O)c2ccsc2)CCN1CCOC ZINC001306622726 1069313311 /nfs/dbraw/zinc/31/33/11/1069313311.db2.gz DBDRSSLLZFQHIR-BWKNWUBXSA-N 0 3 484.670 3.555 20 0 JHADHN CCC[C@@H]1CN(c2nnc(-c3cccc(C)n3)n2Cc2cc(F)cc(OC)c2)CCN1CCOC ZINC001306622961 1069313384 /nfs/dbraw/zinc/31/33/84/1069313384.db2.gz GTFJRNNHJRQZND-JOCHJYFZSA-N 0 3 482.604 3.782 20 0 JHADHN CCC[C@@H]1CN(c2nnc(-c3ccc(Cl)nc3)n2CC2(OC)CCCC2)CCN1CCOC ZINC001306622785 1069313487 /nfs/dbraw/zinc/31/34/87/1069313487.db2.gz NQAJGDGYBJFWCL-HXUWFJFHSA-N 0 3 477.053 3.890 20 0 JHADHN CCC[C@@H]1CN(c2nnc(-c3cccc(C)n3)n2Cc2nc(C)c(C)s2)CCN1CCOC ZINC001306624181 1069317174 /nfs/dbraw/zinc/31/71/74/1069317174.db2.gz MFIYSYDQFJQPEA-HXUWFJFHSA-N 0 3 469.659 3.707 20 0 JHADHN CCC[C@@H]1CN(c2nnc(CC)n2CCc2ccc(Br)s2)CCN1CCOC ZINC001306626125 1069320772 /nfs/dbraw/zinc/32/07/72/1069320772.db2.gz CJHQGRQWXFMDLQ-MRXNPFEDSA-N 0 3 470.481 3.844 20 0 JHADHN CCC[C@@H]1CN(c2nnc(CC)n2Cc2ccccc2OC(F)(F)F)CCN1CCOC ZINC001306627158 1069323438 /nfs/dbraw/zinc/32/34/38/1069323438.db2.gz RHCRFKMFLYKVQQ-GOSISDBHSA-N 0 3 455.525 3.725 20 0 JHADHN CCC[C@H]1CN(c2nnc(CC(C)(C)C)n2Cc2nc3cc(OC)ccc3n2C)CCN1CCOC ZINC001306630150 1069329462 /nfs/dbraw/zinc/32/94/62/1069329462.db2.gz NQQWZFQZLNZOOY-FQEVSTJZSA-N 0 3 497.688 3.747 20 0 JHADHN CCC[C@@H]1CN(c2nnc(-c3ccccc3C)n2Cc2cccnc2OC)CCN1CCOC ZINC001306647872 1069360435 /nfs/dbraw/zinc/36/04/35/1069360435.db2.gz QAUUAMZKMYSHMX-JOCHJYFZSA-N 0 3 464.614 3.643 20 0 JHADHN Cc1ccc(CNC(=O)NCCCN2CCN(C)C[C@H]2c2ccccc2)cc1Br ZINC001311421649 1069369274 /nfs/dbraw/zinc/36/92/74/1069369274.db2.gz FQRIWXGWDHEGKQ-QFIPXVFZSA-N 0 3 459.432 3.936 20 0 JHADHN CCCCN(C)CCn1c(-c2ccc(C)o2)nnc1N1CCS(=O)(=O)C2(CCCCC2)C1 ZINC001306682955 1069415308 /nfs/dbraw/zinc/41/53/08/1069415308.db2.gz RKTQVFWFCAVYPA-UHFFFAOYSA-N 0 3 463.648 3.516 20 0 JHADHN CC1CCN([C@@H](CNC(=O)NC[C@@H](CO)Cc2ccc(F)c(F)c2)c2cccs2)CC1 ZINC001311568119 1069441409 /nfs/dbraw/zinc/44/14/09/1069441409.db2.gz BWTQWRIXXJRCTQ-RXVVDRJESA-N 0 3 451.583 3.950 20 0 JHADHN CN(C)[C@@H](CNC(=O)N[C@@H]1CN(Cc2ccccc2)C[C@H]1C(F)(F)F)c1cccc(F)c1 ZINC001311573837 1069445324 /nfs/dbraw/zinc/44/53/24/1069445324.db2.gz XMDXJYSCHOFXSU-NJYVYQBISA-N 0 3 452.496 3.791 20 0 JHADHN CCCCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCN(CCC(C)(C)C)CC1 ZINC001306711661 1069444468 /nfs/dbraw/zinc/44/44/68/1069444468.db2.gz ZOSKCKHMLZEPTI-UHFFFAOYSA-N 0 3 454.667 3.810 20 0 JHADHN Cc1ccc([C@H](CN2CCOCC2)NC(=O)N2CCCN(Cc3ccccc3)C[C@H]2C)cc1 ZINC001311595944 1069457568 /nfs/dbraw/zinc/45/75/68/1069457568.db2.gz YWVHZMOGQJUMDU-BVAGGSTKSA-N 0 3 450.627 3.674 20 0 JHADHN CC[C@@H](NC(=O)N(CC)[C@@H]1CCN(Cc2ccccc2)C1)c1ccccc1OCC(=O)NC ZINC001311611127 1069462968 /nfs/dbraw/zinc/46/29/68/1069462968.db2.gz ISKXJXIAYSMABQ-FYYLOGMGSA-N 0 3 452.599 3.569 20 0 JHADHN C[C@H]1CN(C(=O)NCCCCN2CCN(c3ccccc3)CC2)CC[C@H]1C(=O)OC(C)(C)C ZINC001311632643 1069479912 /nfs/dbraw/zinc/47/99/12/1069479912.db2.gz JZYDIMVEMMZILR-JTHBVZDNSA-N 0 3 458.647 3.598 20 0 JHADHN CN(CCNC(=O)N1CCN(C(=O)OC(C)(C)C)C[C@H]1c1cccnc1)Cc1ccccc1 ZINC001311686146 1069503406 /nfs/dbraw/zinc/50/34/06/1069503406.db2.gz WIFCTECGAWRANN-QFIPXVFZSA-N 0 3 453.587 3.517 20 0 JHADHN O=C(NCC1(c2ccc(F)cc2)CCOCC1)NC1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC001311696146 1069508418 /nfs/dbraw/zinc/50/84/18/1069508418.db2.gz PEIIBYWDEBJQGN-UHFFFAOYSA-N 0 3 457.512 3.978 20 0 JHADHN COc1ccccc1C1(CNC(=O)NCC2(O)CCN(Cc3ccccc3)CC2)CCCC1 ZINC001311705171 1069511162 /nfs/dbraw/zinc/51/11/62/1069511162.db2.gz PURGIABTHJLTCT-UHFFFAOYSA-N 0 3 451.611 3.833 20 0 JHADHN C[C@@H](c1ccccc1)N1CC[C@@H](NC(=O)N2CCC(NC(=O)OCc3ccccc3)CC2)C1 ZINC001311714685 1069515561 /nfs/dbraw/zinc/51/55/61/1069515561.db2.gz SMZNSOWKUIHIQX-GBXCKJPGSA-N 0 3 450.583 3.922 20 0 JHADHN CCO[C@]1(c2nnc(N3CCS[C@H](C)[C@@H]3C)n2C[C@@H](c2ccccc2)N(C)C)CCOC1 ZINC001314146089 1069599374 /nfs/dbraw/zinc/59/93/74/1069599374.db2.gz VFNFBTHXCWEMDI-FPRSRYDQSA-N 0 3 459.660 3.563 20 0 JHADHN CCCN(CC)CCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC(OC(C)(C)C)CC1 ZINC001306803537 1069612107 /nfs/dbraw/zinc/61/21/07/1069612107.db2.gz YQPVMXHAQJXCOT-UHFFFAOYSA-N 0 3 491.702 3.864 20 0 JHADHN CCOc1cc(C)ccc1Cn1c([C@H](C)CC)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 ZINC001314156651 1069629085 /nfs/dbraw/zinc/62/90/85/1069629085.db2.gz IVWUAWQGDAYGOO-RQTOMXEWSA-N 0 3 496.700 3.926 20 0 JHADHN COc1ccc(Cl)cc1CCNC(=O)NC1CCN(Cc2ccc(NC(C)=O)cc2)CC1 ZINC001311957350 1069636008 /nfs/dbraw/zinc/63/60/08/1069636008.db2.gz IUPMCYBUXJCNSN-UHFFFAOYSA-N 0 3 458.990 3.813 20 0 JHADHN CCOc1ccccc1[C@](N)(C(=O)NC[C@@H](c1ccc(SC)cc1)N(C)C)C(F)(F)F ZINC001306849522 1069658366 /nfs/dbraw/zinc/65/83/66/1069658366.db2.gz URYDNDCPHGAWIE-RXVVDRJESA-N 0 3 455.546 3.943 20 0 JHADHN Cc1cc(F)ccc1N1CCC[C@H](NC(=O)NCc2ccccc2CN2CCC(O)CC2)C1 ZINC001312004095 1069664083 /nfs/dbraw/zinc/66/40/83/1069664083.db2.gz YPQIHSJNQKYKPV-QHCPKHFHSA-N 0 3 454.590 3.559 20 0 JHADHN COc1ccc(-c2nc(C)c([C@H](C)NC(=O)N3CCN(CC4CCOCC4)CC3)s2)cc1 ZINC001312005538 1069664612 /nfs/dbraw/zinc/66/46/12/1069664612.db2.gz BHTOYDPAYFGPAY-SFHVURJKSA-N 0 3 458.628 3.942 20 0 JHADHN CCOc1ccc(-c2nnc(N3C[C@H](C)N(CC)C[C@H]3C)n2C[C@H]2CC=CCO2)cc1OC ZINC001314167354 1069668962 /nfs/dbraw/zinc/66/89/62/1069668962.db2.gz FVODCGOOYRHPLC-QKNQBKEWSA-N 0 3 455.603 3.616 20 0 JHADHN C[C@@H](SCc1nc2ccccc2c(=O)[nH]1)C(=O)Nc1ccc(NC2=NCCN2)c(Cl)c1 ZINC001306875976 1069669623 /nfs/dbraw/zinc/66/96/23/1069669623.db2.gz YNJRRLPPXJCETD-GFCCVEGCSA-N 0 3 456.959 3.620 20 0 JHADHN CCOc1ccc(-c2nnc(N3C[C@H](C)N(CC)C[C@H]3C)n2CCc2nnc(C)s2)cc1OC ZINC001314169134 1069675595 /nfs/dbraw/zinc/67/55/95/1069675595.db2.gz UGQBEVUZYQZPKE-DLBZAZTESA-N 0 3 485.658 3.674 20 0 JHADHN C[C@@H]1CN(C(=O)N[C@H](COCc2ccccc2)c2ccccc2)CC[C@@H]1N1CCN(C)CC1 ZINC001312044859 1069690190 /nfs/dbraw/zinc/69/01/90/1069690190.db2.gz NFHZNZLPBQIJGB-RCXJIHSJSA-N 0 3 450.627 3.612 20 0 JHADHN CCOc1ccc(-c2nnc(N3CC[C@@H](N4CCN(C(C)C)CC4)C3)n2CC(F)(F)F)cc1OC ZINC001314174755 1069699279 /nfs/dbraw/zinc/69/92/79/1069699279.db2.gz AKVNHYBYLOYJQK-LJQANCHMSA-N 0 3 496.578 3.519 20 0 JHADHN CCOc1ccc(Cn2c(CC(C)(C)C)nnc2N2CC[C@H](N3CCN(C(C)C)CC3)C2)cc1OC ZINC001314189697 1069748051 /nfs/dbraw/zinc/74/80/51/1069748051.db2.gz JVEHLCOFLUJEER-QHCPKHFHSA-N 0 3 498.716 3.927 20 0 JHADHN CCCN1CC[C@H](Cn2c([C@H](CC)c3ccccc3)nnc2N(CC)[C@H]2CCS(=O)(=O)C2)C1 ZINC001307034778 1069751467 /nfs/dbraw/zinc/75/14/67/1069751467.db2.gz RMWMXFQTJIZINW-ACIOBRDBSA-N 0 3 473.687 3.565 20 0 JHADHN COc1cc(Cl)c(C)cc1NC(=O)CCNC(=O)N1CCCN(Cc2ccccc2)CC1 ZINC001312154532 1069753612 /nfs/dbraw/zinc/75/36/12/1069753612.db2.gz PYXWLMVKGRGIDW-UHFFFAOYSA-N 0 3 458.990 3.903 20 0 JHADHN CC(C)C[C@H](CNC(=O)OC(C)(C)C)NC(=O)N(CCN(C)C)Cc1ccc(F)c(F)c1 ZINC001312178646 1069768408 /nfs/dbraw/zinc/76/84/08/1069768408.db2.gz NOZYPGQHAVGVKC-GOSISDBHSA-N 0 3 456.578 3.977 20 0 JHADHN CCCN1CCC(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2ccccc2SC)CC1 ZINC001307040867 1069768543 /nfs/dbraw/zinc/76/85/43/1069768543.db2.gz AFRBPOMLKWVUNL-NRFANRHFSA-N 0 3 491.727 3.661 20 0 JHADHN CCCN1CC[C@@H](Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N(C)Cc2ccccc2C(F)(F)F)C1 ZINC001307043626 1069775390 /nfs/dbraw/zinc/77/53/90/1069775390.db2.gz LPAZBMXKOZNTQX-MJGOQNOKSA-N 0 3 499.603 3.567 20 0 JHADHN CCOc1ccc(O[C@H](C)c2nnc(N3CCC(F)(F)C3)n2C[C@@H](C)N2CCN(CC)CC2)cc1 ZINC001314199038 1069786720 /nfs/dbraw/zinc/78/67/20/1069786720.db2.gz RADFVFWYFHTEFI-WOJBJXKFSA-N 0 3 492.615 3.688 20 0 JHADHN COC(=O)[C@@H]1CN(C(=O)N[C@H]2C[C@@H](C)N(Cc3ccccc3)C2)C[C@H]1c1ccc(Cl)cc1 ZINC001312252151 1069810919 /nfs/dbraw/zinc/81/09/19/1069810919.db2.gz JAPFUBMPRGUHQZ-LMDOGRNLSA-N 0 3 455.986 3.901 20 0 JHADHN C[C@H]1C[C@H](NC(=O)N2CCC(C(=O)Nc3ccc(Cl)cn3)CC2)CN1Cc1ccccc1 ZINC001312254871 1069813275 /nfs/dbraw/zinc/81/32/75/1069813275.db2.gz UTNLSUMSCZDROV-UWJYYQICSA-N 0 3 455.990 3.758 20 0 JHADHN CCOc1cccc(Cn2c(C(C)C)nnc2N2CC[C@H](N3CCN(CC)CC3)C2)c1OC(F)F ZINC001314207299 1069820339 /nfs/dbraw/zinc/82/03/39/1069820339.db2.gz DMTHFXNOSYPPSP-FQEVSTJZSA-N 0 3 492.615 3.666 20 0 JHADHN CCOc1cccc(Cn2c(C(C)C)nnc2N2CC[C@@H](N3CCN(CC)CC3)C2)c1OC(F)F ZINC001314207300 1069820626 /nfs/dbraw/zinc/82/06/26/1069820626.db2.gz DMTHFXNOSYPPSP-HXUWFJFHSA-N 0 3 492.615 3.666 20 0 JHADHN CCOc1ccccc1CCn1c(CC(C)(C)C)nnc1N1CCN(C[C@@H]2CCOC2)CC1 ZINC001314211914 1069836436 /nfs/dbraw/zinc/83/64/36/1069836436.db2.gz JTJBSHWNQDQNHH-NRFANRHFSA-N 0 3 455.647 3.667 20 0 JHADHN CCOc1ccccc1Cn1c([C@H](C)CC)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC001314214217 1069842976 /nfs/dbraw/zinc/84/29/76/1069842976.db2.gz STXXXCGGJHMDNF-FYYLOGMGSA-N 0 3 454.663 3.843 20 0 JHADHN CC(=O)Nc1ccc(CN2CCC(NC(=O)NCCOCc3ccc(Cl)cc3)CC2)cc1 ZINC001312306706 1069850418 /nfs/dbraw/zinc/85/04/18/1069850418.db2.gz UMMPQRVBYFTREK-UHFFFAOYSA-N 0 3 458.990 3.779 20 0 JHADHN CCN(C(=O)N[C@H]1CCN(c2ccc(F)c(Cl)c2)C1=O)[C@H]1CCN(Cc2ccccc2)C1 ZINC001312391150 1069904280 /nfs/dbraw/zinc/90/42/80/1069904280.db2.gz GHZSFSZASUQQKE-UGKGYDQZSA-N 0 3 458.965 3.890 20 0 JHADHN Cc1cccc(Cl)c1NC(=O)[C@@H](C)N1CCC[C@@H](CN2CCN(c3ccccn3)CC2)C1 ZINC001307439366 1069984772 /nfs/dbraw/zinc/98/47/72/1069984772.db2.gz XBKRVNITXSYFBD-RTWAWAEBSA-N 0 3 456.034 3.905 20 0 JHADHN O=C(OCc1ccccc1)N1CCC[C@](O)(CN(Cc2cccc(F)c2)C[C@@H]2CCCO2)C1 ZINC001307441655 1069985593 /nfs/dbraw/zinc/98/55/93/1069985593.db2.gz INJWWQFURKWWBD-AHWVRZQESA-N 0 3 456.558 3.970 20 0 JHADHN COCCc1ccc(OC[C@H](O)CN2CCC([C@@H]3C(=O)Nc4cc(Cl)ccc43)CC2)cc1 ZINC001307454284 1069994538 /nfs/dbraw/zinc/99/45/38/1069994538.db2.gz PASDTVWVCKZZOI-YKSBVNFPSA-N 0 3 458.986 3.717 20 0 JHADHN CCOc1ccc(/C=C2\SC(=O)N(CCNC(=O)CN3CCC[C@@H]4CCC[C@H]43)C2=O)cc1 ZINC001307480964 1070008949 /nfs/dbraw/zinc/00/89/49/1070008949.db2.gz WYXRIHLEBXKBDH-RZYZOOPGSA-N 0 3 457.596 3.502 20 0 JHADHN CCO[C@H]1CCCN(c2nnc(-c3cccc(Cl)c3)n2C[C@@H](C)N2CCN(CC)CC2)C1 ZINC001314266078 1070015458 /nfs/dbraw/zinc/01/54/58/1070015458.db2.gz SHQRYHLBJQSQEC-KNQAVFIVSA-N 0 3 461.054 3.630 20 0 JHADHN COc1ccc(C2=NO[C@H](CNC(=O)N(Cc3ccccc3)C3CCN(C)CC3)C2)cc1F ZINC001312571317 1070021259 /nfs/dbraw/zinc/02/12/59/1070021259.db2.gz NBUHJQFFSPJCNW-NRFANRHFSA-N 0 3 454.546 3.633 20 0 JHADHN COCCc1ccc(OC[C@@H](O)CN2CCC[C@H](c3nc(-c4ccc(F)cc4)no3)C2)cc1 ZINC001307555022 1070049570 /nfs/dbraw/zinc/04/95/70/1070049570.db2.gz KOMGUYCSTRUNOA-UNMCSNQZSA-N 0 3 455.530 3.684 20 0 JHADHN CC(C)CCNC(=O)C1CCN(C(=O)CNC(C)(C)c2ccc(Br)cc2)CC1 ZINC001307571904 1070058269 /nfs/dbraw/zinc/05/82/69/1070058269.db2.gz QJTHEMHXVVTFMA-UHFFFAOYSA-N 0 3 452.437 3.675 20 0 JHADHN CC[C@](C)(COc1ncccc1Cl)NCC(=O)Nc1sc2c(c1C(N)=O)CCCC2 ZINC001307591939 1070070138 /nfs/dbraw/zinc/07/01/38/1070070138.db2.gz HXLPNPDFHVCHID-OAQYLSRUSA-N 0 3 450.992 3.550 20 0 JHADHN CC[C@H](C)N[C@@H](CNC(=O)N1CCC([C@@H]2OCC[C@H]2NC(=O)OC(C)(C)C)CC1)c1ccco1 ZINC001312679487 1070078841 /nfs/dbraw/zinc/07/88/41/1070078841.db2.gz ZAPUCQGDKCXSQA-UFGBVDADSA-N 0 3 478.634 3.813 20 0 JHADHN CC[C@H](C)N[C@H](CNC(=O)N[C@](C)(CO)Cc1ccc(Br)cc1)c1ccco1 ZINC001312681068 1070079729 /nfs/dbraw/zinc/07/97/29/1070079729.db2.gz UPGYVJZAKYDTRT-KLHJMIIUSA-N 0 3 452.393 3.764 20 0 JHADHN C[C@@H](NCC(=O)Nc1cccc(CN2CCSCC2)c1)c1ccc(NC(=O)C2CC2)cc1 ZINC001307621282 1070084268 /nfs/dbraw/zinc/08/42/68/1070084268.db2.gz MKYJWEYPUZOCJN-GOSISDBHSA-N 0 3 452.624 3.873 20 0 JHADHN CC(C)Oc1ccc([C@H](CNC(=O)N[C@@H]2C[C@H](OC(C)(C)C)[C@H]2n2cccn2)N(C)C)cc1 ZINC001312711084 1070089832 /nfs/dbraw/zinc/08/98/32/1070089832.db2.gz VLQPYOKCVFFKQR-LDVJMBRRSA-N 0 3 457.619 3.770 20 0 JHADHN COC(=O)C1(NC(=O)CN[C@H](Cc2ccc(OC)cc2)c2ccc(OC)cc2)CCCCC1 ZINC001307640053 1070096355 /nfs/dbraw/zinc/09/63/55/1070096355.db2.gz LNBMVDMHDTUQAU-HSZRJFAPSA-N 0 3 454.567 3.569 20 0 JHADHN C[C@@H](NCCC(=O)Nc1sc2c(c1C(N)=O)CCCC2)c1cccc(N2CCCC2=O)c1 ZINC001307642229 1070097650 /nfs/dbraw/zinc/09/76/50/1070097650.db2.gz LORUCMPDOJMAKK-OAHLLOKOSA-N 0 3 454.596 3.532 20 0 JHADHN CSc1ccc([C@@H](CNC(=O)NC[C@@H](CO)Cc2cc(F)c(F)c(F)c2)N(C)C)cc1 ZINC001312755507 1070105108 /nfs/dbraw/zinc/10/51/08/1070105108.db2.gz OUSAHKPALVULAC-MGPUTAFESA-N 0 3 455.546 3.579 20 0 JHADHN CN(C)[C@H](CNC(=O)CN1CCc2c(Br)ccc(Cl)c2C1)c1ccccc1 ZINC001307656972 1070106350 /nfs/dbraw/zinc/10/63/50/1070106350.db2.gz XUMYVKVVSAENTO-HXUWFJFHSA-N 0 3 450.808 3.880 20 0 JHADHN Cc1cccc(CN(CCN(C)C)C(=O)N[C@H]2CCCN([C@H](C)c3ccc(F)cc3)C2=O)c1 ZINC001312758302 1070107641 /nfs/dbraw/zinc/10/76/41/1070107641.db2.gz UQXWDXKNUCLDNU-YKSBVNFPSA-N 0 3 454.590 3.960 20 0 JHADHN CC1(C)Cc2c(cccc2Br)[C@H]1NC(=O)N1CCN(CC2CCOCC2)CC1 ZINC001312771793 1070113827 /nfs/dbraw/zinc/11/38/27/1070113827.db2.gz YYNBJJLQZNKDIH-HXUWFJFHSA-N 0 3 450.421 3.826 20 0 JHADHN Cc1c(C(=O)Nc2ccc(C)cc2C)sc2[n-]c(CN3CC[C@H](C[NH+](C)C)C3)nc(=O)c12 ZINC001307675445 1070118877 /nfs/dbraw/zinc/11/88/77/1070118877.db2.gz RQPAHSRJTJTPFA-QGZVFWFLSA-N 0 3 453.612 3.546 20 0 JHADHN COc1ccc(S(=O)(=O)N2CCCCCC2)cc1NC(=O)CN(C)[C@H]1CCCC[C@@H]1C ZINC001307682403 1070122799 /nfs/dbraw/zinc/12/27/99/1070122799.db2.gz CXWXQJRYAIOSAR-RXVVDRJESA-N 0 3 451.633 3.709 20 0 JHADHN Cc1cccc(OC[C@H](O)CNC(=O)N[C@@H]2CN(Cc3ccccc3)C[C@H]2c2cccc(F)c2)c1 ZINC001312841081 1070150401 /nfs/dbraw/zinc/15/04/01/1070150401.db2.gz YZHPKDXXFLUHBX-FXVJXKIMSA-N 0 3 477.580 3.841 20 0 JHADHN Cc1cc(I)ccc1NC(=O)CN1CC2(CCOCC2)[C@@H]2CCC[C@@H]21 ZINC001307787005 1070182045 /nfs/dbraw/zinc/18/20/45/1070182045.db2.gz PEPKCQHEWKMFFB-AEFFLSMTSA-N 0 3 454.352 3.819 20 0 JHADHN COC1([C@@H](C)NCC(=O)Nc2sc3c(c2C(=O)c2ccccc2)CCCC3)CCOCC1 ZINC001307849539 1070210384 /nfs/dbraw/zinc/21/03/84/1070210384.db2.gz JLRNDKLOMBOMGI-QGZVFWFLSA-N 0 3 456.608 3.970 20 0 JHADHN C[C@@H]1C[C@@H](C)N(CC(=O)N2CCc3[nH]c4ccccc4c3C2)C[C@H]1CNC(=O)OC(C)(C)C ZINC001307859014 1070213062 /nfs/dbraw/zinc/21/30/62/1070213062.db2.gz NOBZRKIDPQUJET-GUDVDZBRSA-N 0 3 454.615 3.924 20 0 JHADHN O=C(CCN1CCCC[C@H]1Cc1cccc(Br)c1)NC(=O)NCC(F)(F)F ZINC001307862656 1070215375 /nfs/dbraw/zinc/21/53/75/1070215375.db2.gz BWQIFLALSUZYPC-HNNXBMFYSA-N 0 3 450.299 3.624 20 0 JHADHN CC(C)(C)OC(=O)[C@@H]1CN([C@H]2CN(C(=O)OC(C)(C)C)CC[C@@]2(C)O)C[C@H]1c1ccccc1 ZINC001307877099 1070219960 /nfs/dbraw/zinc/21/99/60/1070219960.db2.gz LBQACARRKDYYDS-KKPNIWNPSA-N 0 3 460.615 3.804 20 0 JHADHN O=C(N1CCN(C[C@H]2CN(Cc3ccccc3)CCCO2)CC12CCCCC2)C(F)(F)F ZINC001307886892 1070226241 /nfs/dbraw/zinc/22/62/41/1070226241.db2.gz XQQLFODWWXKSMZ-OAQYLSRUSA-N 0 3 453.549 3.687 20 0 JHADHN CN(C)CCN(Cc1cccc(C(F)(F)F)c1)C(=O)N[C@H]1CCC[C@H]1Cc1cnn(C)c1 ZINC001313033870 1070228328 /nfs/dbraw/zinc/22/83/28/1070228328.db2.gz QBRXXGPPVQGPDE-FPOVZHCZSA-N 0 3 451.537 3.924 20 0 JHADHN Cc1nn(C)c(C)c1NC(=O)[C@H](C)N[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1c1ccccc1 ZINC001307918534 1070240027 /nfs/dbraw/zinc/24/00/27/1070240027.db2.gz KVAFPHKZWMNXMN-IOMROCGXSA-N 0 3 455.603 3.747 20 0 JHADHN CCOCc1nnc(N2CCN(CCC(C)(C)C)CC2)n1CCN(C(=O)OC(C)(C)C)C1CC1 ZINC001314398496 1070258914 /nfs/dbraw/zinc/25/89/14/1070258914.db2.gz KPHSTIPTZWXVBJ-UHFFFAOYSA-N 0 3 478.682 3.772 20 0 JHADHN CCOCc1nnc(N2CCO[C@@H](c3cccc(F)c3)C2)n1C[C@H](c1cccs1)N(C)C ZINC001314404327 1070267584 /nfs/dbraw/zinc/26/75/84/1070267584.db2.gz ZWRBXCDSRGABPY-WOJBJXKFSA-N 0 3 459.591 3.896 20 0 JHADHN Cc1cc(N2CCN(C(=O)CN3CC[C@H](c4ccc(F)cc4)C3(C)C)CC2)nc(C(C)C)n1 ZINC001307994359 1070273292 /nfs/dbraw/zinc/27/32/92/1070273292.db2.gz XWDDVESZCLCAFY-JOCHJYFZSA-N 0 3 453.606 3.964 20 0 JHADHN O=C(CN[C@H](CO)c1cccc(C(F)(F)F)c1)Nc1cccc(CN2CCSCC2)c1 ZINC001308003701 1070276361 /nfs/dbraw/zinc/27/63/61/1070276361.db2.gz UOBCWLAICSVCHS-HXUWFJFHSA-N 0 3 453.530 3.516 20 0 JHADHN Cc1ccc(CN2CC[C@H](NC(=O)N[C@H](CO)c3ccc(Br)c(F)c3)C2)cc1 ZINC001313184032 1070284932 /nfs/dbraw/zinc/28/49/32/1070284932.db2.gz CULBVEZZJMGJKZ-FXAWDEMLSA-N 0 3 450.352 3.504 20 0 JHADHN Cc1ccc(CN2CC[C@@H](NC(=O)N[C@H](CO)c3ccc(Br)c(F)c3)C2)cc1 ZINC001313184040 1070285189 /nfs/dbraw/zinc/28/51/89/1070285189.db2.gz CULBVEZZJMGJKZ-YLJYHZDGSA-N 0 3 450.352 3.504 20 0 JHADHN Cc1ccc(CN2CC[C@H](NC(=O)N3CCN(C(=O)c4ccc(Cl)cc4F)CC3)C2)cc1 ZINC001313188474 1070286937 /nfs/dbraw/zinc/28/69/37/1070286937.db2.gz WOYUVOGAPZQVLZ-FQEVSTJZSA-N 0 3 458.965 3.529 20 0 JHADHN COC(=O)C1CC2(C1)CN(Cc1cccc(OCC(F)(F)F)c1)C[C@H]2C(=O)OC(C)(C)C ZINC001308064772 1070299094 /nfs/dbraw/zinc/29/90/94/1070299094.db2.gz IGAPULAVCCUNGL-OJCRERRGSA-N 0 3 457.489 3.971 20 0 JHADHN COc1ccc(CNC(=O)CCN2CCc3cc(OC)c(OC)cc3C23CCC3)c(OC)c1 ZINC001308081333 1070306194 /nfs/dbraw/zinc/30/61/94/1070306194.db2.gz BLHHRNLVNZMQRI-UHFFFAOYSA-N 0 3 454.567 3.665 20 0 JHADHN C[C@@H]1CN(CCN2Cc3ccccc3OC3(CCN(C(=O)OC(C)(C)C)CC3)C2)C[C@H](C)O1 ZINC001308106923 1070313544 /nfs/dbraw/zinc/31/35/44/1070313544.db2.gz IGNNFYRIIWFZFS-OYRHEFFESA-N 0 3 459.631 3.760 20 0 JHADHN C[C@H]1CN(CCN2Cc3ccccc3OC3(CCN(C(=O)OC(C)(C)C)CC3)C2)C[C@H](C)O1 ZINC001308106924 1070313963 /nfs/dbraw/zinc/31/39/63/1070313963.db2.gz IGNNFYRIIWFZFS-SFTDATJTSA-N 0 3 459.631 3.760 20 0 JHADHN COc1ccc(C[C@@](C)(CO)NCC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)cc1 ZINC001308117726 1070319721 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CN(C)C(=O)[C@@H]1CCCN1CCCn1c(Cc2ccsc2)nnc1N(C)Cc1ccccc1F ZINC001314629730 1070728728 /nfs/dbraw/zinc/72/87/28/1070728728.db2.gz SQVDBNIRHQPLRG-QFIPXVFZSA-N 0 3 484.645 3.649 20 0 JHADHN CN(C)C(=O)[C@H]1CCCN1CCCn1c(CCc2ccccc2)nnc1N1CCCCCCC1 ZINC001314630541 1070731281 /nfs/dbraw/zinc/73/12/81/1070731281.db2.gz YRYDSFHMVGYPCK-XMMPIXPASA-N 0 3 466.674 3.777 20 0 JHADHN CCN(c1nnc(COc2ccc(F)cc2)n1CCN1CCN(C)C(C)(C)C1)C1CCCC1 ZINC001313620716 1070747338 /nfs/dbraw/zinc/74/73/38/1070747338.db2.gz FULBGCCMWNGHFN-UHFFFAOYSA-N 0 3 458.626 3.791 20 0 JHADHN CN(C)[C@@H](Cn1c(-c2ccccc2F)nnc1N1CCN(CC(F)F)CC1)c1cccs1 ZINC001314647763 1070750714 /nfs/dbraw/zinc/75/07/14/1070750714.db2.gz DQAJKCMNYORHHH-SFHVURJKSA-N 0 3 464.561 3.836 20 0 JHADHN CN(C)[C@H](Cn1c(-c2ccc(Cl)cc2F)nnc1N(C)[C@@H]1CCS(=O)(=O)C1)C1CCCCC1 ZINC001314649365 1070755533 /nfs/dbraw/zinc/75/55/33/1070755533.db2.gz VZHHKGTVAFPMKT-WIYYLYMNSA-N 0 3 498.068 3.871 20 0 JHADHN 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/nfs/dbraw/zinc/39/81/48/1071398148.db2.gz LZFAWCWQUUHSGT-MOPGFXCFSA-N 0 3 489.686 3.793 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3ccc(OC)cc3OC)n2CCCOC(F)(F)F)C[C@H]1C ZINC001313867155 1071398840 /nfs/dbraw/zinc/39/88/40/1071398840.db2.gz MCMTVCJIXNQABT-CVEARBPZSA-N 0 3 471.524 3.808 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(CCc3ccc(OC)cc3)n2C[C@](C)(OC)C2CC2)C[C@H]1C ZINC001313867572 1071400608 /nfs/dbraw/zinc/40/06/08/1071400608.db2.gz KFKUUJVBNUBWSZ-GOHWNWGWSA-N 0 3 455.647 3.806 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3cccc(C)n3)n2Cc2ccccc2OCCOC)C[C@@H]1C ZINC001313868637 1071405553 /nfs/dbraw/zinc/40/55/53/1071405553.db2.gz VNECOGHANQUKRR-SFTDATJTSA-N 0 3 464.614 3.641 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(-c3ccc[nH]3)n2CCCCn2cc(Br)cn2)C[C@@H]1C ZINC001313867747 1071401525 /nfs/dbraw/zinc/40/15/25/1071401525.db2.gz AOTCCQMXNBYDTK-DLBZAZTESA-N 0 3 475.439 3.632 20 0 JHADHN CNC(=O)[C@@H](C)CN(C)c1nnc(-c2ccc3ccccc3n2)n1C[C@H](c1ccsc1)N(C)C ZINC001314945220 1071401994 /nfs/dbraw/zinc/40/19/94/1071401994.db2.gz IGDTZMFIFKCRCR-HTAPYJJXSA-N 0 3 477.638 3.676 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(-c3ccccc3Br)n2CCSCCCO)C[C@H]1C ZINC001313868549 1071404432 /nfs/dbraw/zinc/40/44/32/1071404432.db2.gz BSPSDWCPMUIJSP-IAGOWNOFSA-N 0 3 482.492 3.742 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(C3CCN(C(=O)OC(C)(C)C)CC3)n2CCC2(O)CCC2)C[C@H]1C ZINC001313869715 1071410049 /nfs/dbraw/zinc/41/00/49/1071410049.db2.gz PUQDYLQXQJXCJT-UXHICEINSA-N 0 3 490.693 3.617 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(Cc3cn4ccccc4n3)n2CCSCC(C)C)C[C@H]1C ZINC001313869414 1071408268 /nfs/dbraw/zinc/40/82/68/1071408268.db2.gz PNCUZBKRYLMHDE-UXHICEINSA-N 0 3 455.676 3.825 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3ccc(OC)cc3OC)n2Cc2nccc(C(F)F)n2)C[C@@H]1C ZINC001313871551 1071417425 /nfs/dbraw/zinc/41/74/25/1071417425.db2.gz UJZXGAVLKMJGHT-HOTGVXAUSA-N 0 3 487.555 3.657 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(Cc3ccccn3)n2Cc2ccc(OC)c(Cl)c2)C[C@@H]1C ZINC001313871783 1071418173 /nfs/dbraw/zinc/41/81/73/1071418173.db2.gz HLYUFJTTZNKCJH-ZWKOTPCHSA-N 0 3 455.006 3.893 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3ccc(Cl)cc3OC)n2CCCNC(=O)C(C)C)C[C@@H]1C ZINC001313871956 1071420012 /nfs/dbraw/zinc/42/00/12/1071420012.db2.gz VYBGSCGCTDIWOI-ROUUACIJSA-N 0 3 477.053 3.688 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc(Cc3cccnc3)n2Cc2cc(OC)ccc2OC(F)F)C[C@@H]1C ZINC001313872248 1071420960 /nfs/dbraw/zinc/42/09/60/1071420960.db2.gz IXZZMCTWFZSNBQ-ZWKOTPCHSA-N 0 3 486.567 3.841 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(Cc3cccnc3)n2Cc2ccc(OC(F)F)cc2)C[C@@H]1C ZINC001313873242 1071424803 /nfs/dbraw/zinc/42/48/03/1071424803.db2.gz KJQIYGAOJNCWBS-ROUUACIJSA-N 0 3 456.541 3.833 20 0 JHADHN CN1CCN(CCCNC(=O)Nc2ccc(F)cc2OCC(F)F)[C@@H](c2ccccc2)C1 ZINC001310486217 1071426033 /nfs/dbraw/zinc/42/60/33/1071426033.db2.gz OHSOWEMUNLIUGV-HXUWFJFHSA-N 0 3 450.505 3.970 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(COc3ccc(C)cc3)n2Cc2ccc(OC)nc2OC)C[C@H]1C ZINC001313874711 1071430504 /nfs/dbraw/zinc/43/05/04/1071430504.db2.gz JTBVYMJXPCYHNP-UXHICEINSA-N 0 3 480.613 3.545 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(Cc3c(F)cccc3F)n2CC2(COC)CCOCC2)C[C@H]1C ZINC001313874960 1071431397 /nfs/dbraw/zinc/43/13/97/1071431397.db2.gz PKDJRPYPSXYURG-MOPGFXCFSA-N 0 3 477.600 3.509 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(COc3cc(C)cc(C)c3)n2Cc2ccc(OC)nc2)C[C@@H]1C ZINC001313875135 1071432784 /nfs/dbraw/zinc/43/27/84/1071432784.db2.gz LHIXSNJLRQQBMC-SFTDATJTSA-N 0 3 464.614 3.845 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(COc3ccc(Cl)cc3Cl)n2CCC(=O)NC(C)C)C[C@H]1C ZINC001313876378 1071437384 /nfs/dbraw/zinc/43/73/84/1071437384.db2.gz OJKJBTIJARQBLE-SJORKVTESA-N 0 3 497.471 3.998 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(COc3ccc(C)c(C)c3)n2CCNC(=O)OC(C)(C)C)C[C@@H]1C ZINC001313876515 1071438217 /nfs/dbraw/zinc/43/82/17/1071438217.db2.gz PBRVDGLJCIHKKR-SFTDATJTSA-N 0 3 486.661 3.918 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(-c3ccccn3)n2CC[C@H]2CCN(C(=O)OC(C)(C)C)C2)C[C@H]1C ZINC001313876621 1071439272 /nfs/dbraw/zinc/43/92/72/1071439272.db2.gz VAGKVGQFNLYEHQ-QHAWAJNXSA-N 0 3 483.661 3.906 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(Cc3ccccn3)n2C[C@@H](NC(=O)OC(C)(C)C)C(C)C)C[C@@H]1C ZINC001313878257 1071443810 /nfs/dbraw/zinc/44/38/10/1071443810.db2.gz WDIZOCUYKWCQIK-JAXLGGSGSA-N 0 3 485.677 3.732 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(CSc3ccccc3OC)n2CCCc2cnn(C)c2)C[C@@H]1C ZINC001313882419 1071458267 /nfs/dbraw/zinc/45/82/67/1071458267.db2.gz FTIUQKKPKBUYIV-PMACEKPBSA-N 0 3 483.686 3.864 20 0 JHADHN CCN1C[C@H](C)N(c2nnc([C@H]3C[C@@H](NC(=O)OC(C)(C)C)C3)n2C[C@]2(O)CCC[C@H]2C)C[C@@H]1C ZINC001313882678 1071458327 /nfs/dbraw/zinc/45/83/27/1071458327.db2.gz GCOSOPDLJKBTSZ-PGNAZXSPSA-N 0 3 490.693 3.519 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(COc3ccccc3OC)n2C[C@H](OC)C(C)(C)C)C[C@H]1C ZINC001313885397 1071466338 /nfs/dbraw/zinc/46/63/38/1071466338.db2.gz OWGFONRKOCIDQQ-DXIQSLLYSA-N 0 3 459.635 3.846 20 0 JHADHN CCN1C[C@H](C)N(c2nnc(COc3ccccc3OC)n2C[C@@H](OC)C(C)(C)C)C[C@@H]1C ZINC001313885395 1071466557 /nfs/dbraw/zinc/46/65/57/1071466557.db2.gz OWGFONRKOCIDQQ-CNNODRBYSA-N 0 3 459.635 3.846 20 0 JHADHN CCN1CC[C@H](Cn2c(-c3cccc(S(C)(=O)=O)c3)nnc2N2CC[C@@H](C)C(C)(C)C2)C1 ZINC001313889656 1071480803 /nfs/dbraw/zinc/48/08/03/1071480803.db2.gz LIGWWOMTQNLNHT-MOPGFXCFSA-N 0 3 459.660 3.563 20 0 JHADHN CCN1C[C@@H](C)N(c2nnc([C@@H]3CCO[C@H]3C(C)(C)C)n2Cc2ccc(NC(C)=O)nc2)C[C@@H]1C ZINC001313889332 1071479780 /nfs/dbraw/zinc/47/97/80/1071479780.db2.gz XPQOUKZOTFAEAU-BJJLKGPWSA-N 0 3 483.661 3.517 20 0 JHADHN CCN1CCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)C[C@@H]1CCCO[C@@H]1c1ccccc1 ZINC001313896592 1071500505 /nfs/dbraw/zinc/50/05/05/1071500505.db2.gz GPPIXQGYLOZTCE-YTFSRNRJSA-N 0 3 468.646 3.505 20 0 JHADHN CCN1CCCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N(C)Cc1cccc(C(F)(F)F)c1 ZINC001313906842 1071525842 /nfs/dbraw/zinc/52/58/42/1071525842.db2.gz SAEARAMCXSBWHB-LJQANCHMSA-N 0 3 466.552 3.946 20 0 JHADHN CNC(=O)CC1CCN(c2nnc([C@H](C)Oc3cccc(Cl)c3)n2CCN2CCCCC2)CC1 ZINC001315017383 1071537707 /nfs/dbraw/zinc/53/77/07/1071537707.db2.gz SEBJJIZJICQGAQ-IBGZPJMESA-N 0 3 489.064 3.910 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(-c3cc(Br)cn3C)nnc2N2CCC[C@H](C)CC2)CC1 ZINC001313919380 1071557142 /nfs/dbraw/zinc/55/71/42/1071557142.db2.gz AKFCNJMGTPOGQG-OALUTQOASA-N 0 3 492.510 3.699 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(-c3cc(Br)c[nH]3)nnc2N2CCC[C@H](C(C)C)C2)CC1 ZINC001313919709 1071557590 /nfs/dbraw/zinc/55/75/90/1071557590.db2.gz FMFGAIUGJWCAQY-MOPGFXCFSA-N 0 3 492.510 3.934 20 0 JHADHN CCN1CCN([C@H](C)Cn2c([C@@H](C)Oc3cccc(Cl)c3)nnc2N(C)Cc2ccon2)CC1 ZINC001313921578 1071562594 /nfs/dbraw/zinc/56/25/94/1071562594.db2.gz QLFSMQKYNHYGLZ-RTBURBONSA-N 0 3 488.036 3.722 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(-c3cc(OC)cc(OC)c3)nnc2N(C)Cc2ccoc2C)CC1 ZINC001313922324 1071563785 /nfs/dbraw/zinc/56/37/85/1071563785.db2.gz VNJSSGRSKWPUMA-LJQANCHMSA-N 0 3 482.629 3.526 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(-c3cc(F)ccc3Br)nnc2N(C)C2CCC2)CC1 ZINC001313922580 1071565014 /nfs/dbraw/zinc/56/50/14/1071565014.db2.gz WZOXKWFHZYHITI-MRXNPFEDSA-N 0 3 479.442 3.861 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(-c3ccccc3Br)nnc2N(C)Cc2ccccn2)CC1 ZINC001313924781 1071571618 /nfs/dbraw/zinc/57/16/18/1071571618.db2.gz IKGRTFXOBWBCFM-LJQANCHMSA-N 0 3 498.473 3.765 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(COc3cc(C)cc(C)c3)nnc2N2CC=C(C)CC2)CC1 ZINC001313926530 1071576861 /nfs/dbraw/zinc/57/68/61/1071576861.db2.gz DKRUPIACVZRZJO-HSZRJFAPSA-N 0 3 452.647 3.656 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(COc3cc(C)cc(C)c3)nnc2N2CC=C(C)CC2)CC1 ZINC001313926531 1071576961 /nfs/dbraw/zinc/57/69/61/1071576961.db2.gz DKRUPIACVZRZJO-QHCPKHFHSA-N 0 3 452.647 3.656 20 0 JHADHN CCN1CCN([C@H](C)Cn2c([C@H]3CCCOC3)nnc2N(C)[C@@H](C)c2ccc(F)c(F)c2)CC1 ZINC001313926557 1071576979 /nfs/dbraw/zinc/57/69/79/1071576979.db2.gz DICBRDGYKYOVAY-DYXWJJEUSA-N 0 3 476.616 3.674 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c([C@@H]3CCO[C@H]3C(C)(C)C)nnc2N(C)Cc2ccc(OC)cc2)CC1 ZINC001313927435 1071580471 /nfs/dbraw/zinc/58/04/71/1071580471.db2.gz LALMCADFKZFIAK-FTBPSBKWSA-N 0 3 498.716 3.868 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(COc3cc(C)cc(C)c3)nnc2N2CCC[C@@H](C)C2)CC1 ZINC001313927854 1071581823 /nfs/dbraw/zinc/58/18/23/1071581823.db2.gz PCTKYYYAONNBHD-OFNKIYASSA-N 0 3 454.663 3.736 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(Cc3ccc(F)cc3)nnc2N2CC[C@H](C(C)(C)C)C2)CC1 ZINC001313928056 1071582524 /nfs/dbraw/zinc/58/25/24/1071582524.db2.gz NFIIVDRNXAYESI-IRLDBZIGSA-N 0 3 456.654 3.906 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(CSc3ccccc3OC)nnc2N2CCCCCC2)CC1 ZINC001313928129 1071582592 /nfs/dbraw/zinc/58/25/92/1071582592.db2.gz QPLNKMQBYDLXEA-NRFANRHFSA-N 0 3 472.703 3.985 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(COc3ccc(Cl)cc3)nnc2N2C[C@H](C)OC(C)(C)C2)CC1 ZINC001313929332 1071586683 /nfs/dbraw/zinc/58/66/83/1071586683.db2.gz YZXTZTPODCCSEF-UXHICEINSA-N 0 3 491.080 3.540 20 0 JHADHN CCN1CCN([C@@H](C)Cn2c(CCCc3ccccc3)nnc2N2CC(C)(C)OC(C)(C)C2)CC1 ZINC001313928960 1071585124 /nfs/dbraw/zinc/58/51/24/1071585124.db2.gz QQGORYBVSQVNPB-QHCPKHFHSA-N 0 3 482.717 3.873 20 0 JHADHN CCN1CCN([C@H](C)Cn2c(COc3cc(C)cc(C)c3)nnc2N2CCS[C@@H](C)[C@@H]2C)CC1 ZINC001313929320 1071586862 /nfs/dbraw/zinc/58/68/62/1071586862.db2.gz YYTKTVDVYMMPCZ-VJBWXMMDSA-N 0 3 486.730 3.830 20 0 JHADHN CCN(CCc1ccccc1)c1nnc([C@@H]2CCCCO2)n1C[C@H](C)N1CCN(CC)CC1 ZINC001313929177 1071586183 /nfs/dbraw/zinc/58/61/83/1071586183.db2.gz NWDZJNXOHYRVDD-UPVQGACJSA-N 0 3 454.663 3.615 20 0 JHADHN CCN1CCN(c2nnc([C@@H](C)Oc3cccc(Cl)c3)n2CCn2ccnc2C)C[C@@H]1C ZINC001313931298 1071592124 /nfs/dbraw/zinc/59/21/24/1071592124.db2.gz QVXZTSGVGGJTBI-ZWKOTPCHSA-N 0 3 458.010 3.807 20 0 JHADHN CCN1CCN([C@@H]2CCN(c3nnc(C(C)C)n3CCCCOc3ccc(C)cc3)C2)CC1 ZINC001313942902 1071621379 /nfs/dbraw/zinc/62/13/79/1071621379.db2.gz NNGPEQQLBCQXDF-HSZRJFAPSA-N 0 3 454.663 3.785 20 0 JHADHN CCN1CCN(c2nnc(COc3cc(C)ccc3C)n2CCCN2C[C@@H](C)O[C@@H](C)C2)C[C@H]1C ZINC001313943310 1071622681 /nfs/dbraw/zinc/62/26/81/1071622681.db2.gz RKJBYSKDAGNKNV-SMIHKQSGSA-N 0 3 484.689 3.504 20 0 JHADHN CCN1CCN([C@@H]2CCN(c3nnc(C(C)C)n3C[C@@H](C)Cc3ccc(OC)cc3)C2)CC1 ZINC001313944279 1071624434 /nfs/dbraw/zinc/62/44/34/1071624434.db2.gz ZHIAUWLCDZHEJG-JTHBVZDNSA-N 0 3 454.663 3.505 20 0 JHADHN CCN1CCN(C[C@@H](C)Cn2c(C(C)C)nnc2N2CCN(c3ccc(C)c(C)c3)CC2)CC1 ZINC001313947850 1071633036 /nfs/dbraw/zinc/63/30/36/1071633036.db2.gz AALHSQLQNIVVLS-JOCHJYFZSA-N 0 3 467.706 3.619 20 0 JHADHN CCN1CCN(C[C@@H](C)Cn2c(C(C)C)nnc2N2CCC(n3ccc(C(F)(F)F)n3)CC2)CC1 ZINC001313948089 1071633274 /nfs/dbraw/zinc/63/32/74/1071633274.db2.gz BPKIHFWNYIPYMP-LJQANCHMSA-N 0 3 496.626 3.732 20 0 JHADHN CCN1CCN([C@@H]2CCN(c3nnc(CC(C)(C)C)n3Cc3cccc(CSC)c3)C2)CC1 ZINC001313948172 1071633424 /nfs/dbraw/zinc/63/34/24/1071633424.db2.gz PIGFGPJZERZSKC-HSZRJFAPSA-N 0 3 470.731 3.994 20 0 JHADHN CCN1CCN([C@H]2CCN(c3nnc(CC(C)C)n3Cc3cscc3C(F)(F)F)C2)CC1 ZINC001313949576 1071636854 /nfs/dbraw/zinc/63/68/54/1071636854.db2.gz ZNKSOXDVEAWEIH-SFHVURJKSA-N 0 3 470.609 3.821 20 0 JHADHN CCN1CCN([C@@H]2CCN(c3nnc(Cc4csc(C)n4)n3C[C@H](SC)C(C)(C)C)C2)CC1 ZINC001313950556 1071638839 /nfs/dbraw/zinc/63/88/39/1071638839.db2.gz VNVPZFHWMWOIBN-RTWAWAEBSA-N 0 3 491.775 3.628 20 0 JHADHN CCN1CCN(C[C@H](C)Cn2c(C(C)C)nnc2N2CC[C@@]3(C)[C@@H](C2)C3(Cl)Cl)CC1 ZINC001313950710 1071639278 /nfs/dbraw/zinc/63/92/78/1071639278.db2.gz QDVGLQWVDMKKMG-UEXGIBASSA-N 0 3 457.494 3.695 20 0 JHADHN CCN1CCN(C[C@H](C)Cn2c(N3CCC[C@H](c4noc(C(C)C)n4)C3)nnc2C(C)(C)C)CC1 ZINC001313952191 1071645303 /nfs/dbraw/zinc/64/53/03/1071645303.db2.gz OPHXNNRUXKJVEI-SFTDATJTSA-N 0 3 486.709 3.740 20 0 JHADHN CCN1CCN(C[C@@H](C)Cn2c(COc3cccc(C)c3)nnc2N2CCO[C@@H](C(C)(C)C)C2)CC1 ZINC001313955004 1071653639 /nfs/dbraw/zinc/65/36/39/1071653639.db2.gz DEMAGBCUGPLEJF-ILBGXUMGSA-N 0 3 498.716 3.690 20 0 JHADHN CCN1CCN(C[C@@H](C)Cn2c(Cc3csc(C)n3)nnc2N(C)Cc2ccsc2)CC1 ZINC001313955763 1071656656 /nfs/dbraw/zinc/65/66/56/1071656656.db2.gz IHXMABXGWSBMIW-GOSISDBHSA-N 0 3 473.716 3.605 20 0 JHADHN CCN1CCN(CCCn2c([C@@H]3CCCOC3)nnc2N(C)[C@H](C)c2ccccc2F)CC1 ZINC001313956766 1071658106 /nfs/dbraw/zinc/65/81/06/1071658106.db2.gz KUMVMHCDUUCMNW-NHCUHLMSSA-N 0 3 458.626 3.536 20 0 JHADHN CCN1CCN(CCCn2c([C@H]3CCCOC3)nnc2N(C)Cc2ccccc2C(F)(F)F)CC1 ZINC001313957113 1071659559 /nfs/dbraw/zinc/65/95/59/1071659559.db2.gz PUJCAOIDSJIPHD-NRFANRHFSA-N 0 3 494.606 3.855 20 0 JHADHN CCN1CCN(C[C@H](C)Cn2c(CCc3ccccc3)nnc2N2C[C@@H](C)[C@H](C(F)(F)F)C2)CC1 ZINC001313957675 1071661307 /nfs/dbraw/zinc/66/13/07/1071661307.db2.gz RPJOTCTTZPIZDL-QZNHQXDQSA-N 0 3 492.634 3.972 20 0 JHADHN CCN1CCN(C[C@@H](C)Cn2c(Cc3ccccc3F)nnc2N(C)CC2CC(F)(F)C2)CC1 ZINC001313957667 1071661362 /nfs/dbraw/zinc/66/13/62/1071661362.db2.gz RITCIBWEDGKVPJ-LJQANCHMSA-N 0 3 478.607 3.763 20 0 JHADHN CCN1CCN(C[C@@H](C)Cn2c(CCc3ccc(OC)cc3)nnc2N2C[C@H](C)C[C@H](C)C2)CC1 ZINC001313957921 1071661783 /nfs/dbraw/zinc/66/17/83/1071661783.db2.gz SBVSDERGOUVAIU-TZRRMPRUSA-N 0 3 482.717 3.828 20 0 JHADHN CCN1CCN(C[C@@H](C)Cn2c(COc3cccc(C)c3)nnc2N2C[C@@H](C)S[C@@H](C)C2)CC1 ZINC001313958931 1071665264 /nfs/dbraw/zinc/66/52/64/1071665264.db2.gz YVKWRMLIGBOFMX-ZLNRFVROSA-N 0 3 486.730 3.769 20 0 JHADHN CCN1CCN(CCCn2c(COc3cccc(C)c3)nnc2N2CCC[C@@H](C)CC2)CC1 ZINC001313959984 1071668809 /nfs/dbraw/zinc/66/88/09/1071668809.db2.gz DJBKNUYYWYTBIV-JOCHJYFZSA-N 0 3 454.663 3.820 20 0 JHADHN CCN1CCN(CCCn2c(Cc3ccccc3C)nnc2N2CCS[C@@H](C)[C@@H]2C)CC1 ZINC001313960195 1071669282 /nfs/dbraw/zinc/66/92/82/1071669282.db2.gz FQEICYLWYFODFK-VXKWHMMOSA-N 0 3 456.704 3.535 20 0 JHADHN CCN1CCN(CCCn2c(CC3CCCC3)nnc2N2CCC(C)=C(Br)C2)CC1 ZINC001313960742 1071670557 /nfs/dbraw/zinc/67/05/57/1071670557.db2.gz MDPAYDYKQRUOCT-UHFFFAOYSA-N 0 3 479.511 3.917 20 0 JHADHN CCN1CCN(CCCn2c(COc3cc(C)cc(C)c3)nnc2N2CCS[C@@H](C)[C@@H]2C)CC1 ZINC001313961014 1071671701 /nfs/dbraw/zinc/67/17/01/1071671701.db2.gz OQMULJHKKDNAOI-GOTSBHOMSA-N 0 3 486.730 3.832 20 0 JHADHN CCN1CCN(CCCn2c(COc3ccccc3OC)nnc2N2C[C@H](C)CC[C@@H]2C)CC1 ZINC001313961076 1071671750 /nfs/dbraw/zinc/67/17/50/1071671750.db2.gz QASWWXHUXPWXRX-YADHBBJMSA-N 0 3 470.662 3.518 20 0 JHADHN CCN1CCN(CCCn2c([C@@H](C)Oc3ccccc3F)nnc2N(C)CC(F)(F)F)CC1 ZINC001313961589 1071673533 /nfs/dbraw/zinc/67/35/33/1071673533.db2.gz VTVWFBRXQZQWJV-QGZVFWFLSA-N 0 3 472.531 3.583 20 0 JHADHN CCN1CCN(CCCn2c(Cc3ccccc3OC)nnc2N2CCC(C)(C)CC2)CC1 ZINC001313961606 1071673571 /nfs/dbraw/zinc/67/35/71/1071673571.db2.gz VFULVQAKTAWXER-UHFFFAOYSA-N 0 3 454.663 3.532 20 0 JHADHN CCNC(=O)c1ccc(Cn2c(Cc3ccsc3)nnc2N2C[C@H](C)N(CC)C[C@@H]2C)cc1 ZINC001313981648 1071718102 /nfs/dbraw/zinc/71/81/02/1071718102.db2.gz HCICAAOTBYQSAX-OALUTQOASA-N 0 3 466.655 3.647 20 0 JHADHN CCOC(=O)N[C@H]1CCCN(c2nnc(CC(C)(C)C)n2C[C@H](c2ccccc2)N(C)C)C1 ZINC001314037715 1071831383 /nfs/dbraw/zinc/83/13/83/1071831383.db2.gz ATETXLCKNYYREU-LEWJYISDSA-N 0 3 456.635 3.885 20 0 JHADHN CCOC(C)(C)Cn1c(-c2ccc(CC)cc2)nnc1N1C[C@H](N2CCCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001314049230 1071870076 /nfs/dbraw/zinc/87/00/76/1071870076.db2.gz ZFMDBWGTMONQOW-OFVILXPXSA-N 0 3 496.700 3.702 20 0 JHADHN CCOC(C)(C)Cn1c(-c2ccc(CC)cc2)nnc1N1C[C@@H](C)[C@@H](N2CCCN(C(C)=O)CC2)C1 ZINC001314049229 1071870270 /nfs/dbraw/zinc/87/02/70/1071870270.db2.gz ZFMDBWGTMONQOW-BWKNWUBXSA-N 0 3 496.700 3.702 20 0 JHADHN CCOC(C)(C)Cn1c(Cc2ccccc2F)nnc1N1CCN(C2CCOCC2)C[C@@H]1C ZINC001314050422 1071871808 /nfs/dbraw/zinc/87/18/08/1071871808.db2.gz JKFYHQWIMSXICQ-IBGZPJMESA-N 0 3 459.610 3.513 20 0 JHADHN CCO[C@@H](CCn1c(-c2ccc(Cl)nc2)nnc1N1CCC(CN2CCOCC2)CC1)C(C)C ZINC001314063726 1071905399 /nfs/dbraw/zinc/90/53/99/1071905399.db2.gz SOWWZLHMIJBYOU-QFIPXVFZSA-N 0 3 491.080 3.993 20 0 JHADHN CCO[C@H](CCn1c(-c2cccc(C)n2)nnc1N1CCN(CC2CCOCC2)CC1)C(C)C ZINC001314063596 1071905452 /nfs/dbraw/zinc/90/54/52/1071905452.db2.gz KGJXJWTWVRMDAP-XMMPIXPASA-N 0 3 470.662 3.648 20 0 JHADHN CCO[C@]1(c2nnc(N3C[C@H](C)C[C@H](C)C3)n2C[C@H](c2cccc(OC)c2)N(C)C)CCOC1 ZINC001314092375 1071969733 /nfs/dbraw/zinc/96/97/33/1071969733.db2.gz CBNBIIFZIVAQQL-PFDCSPEHSA-N 0 3 471.646 3.724 20 0 JHADHN CCO[C@]1(c2nnc(N3C[C@@H](C)N(CC)C[C@H]3C)n2Cc2ccc(Cl)cc2F)CCOC1 ZINC001314093935 1071971834 /nfs/dbraw/zinc/97/18/34/1071971834.db2.gz INYQRRXYGXTTSI-SEPYTNNBSA-N 0 3 466.001 3.690 20 0 JHADHN CCO[C@]1(c2nnc(N3C[C@H](C)N(CC)C[C@@H]3C)n2CCc2ccccc2OC(F)F)CCOC1 ZINC001314101494 1071985881 /nfs/dbraw/zinc/98/58/81/1071985881.db2.gz DFQQRLBWTYGXAE-XHNVNVPESA-N 0 3 493.599 3.693 20 0 JHADHN CCO[C@@]1(c2nnc(N3CCN(C4CCCCC4)CC3)n2CC(C)(C)SC)CCOC1 ZINC001314134902 1072047124 /nfs/dbraw/zinc/04/71/24/1072047124.db2.gz PWARKOFZMGZNNQ-QHCPKHFHSA-N 0 3 451.681 3.527 20 0 JHADHN CCc1ccc(-c2nnc(N3CCCN(CC)C(=O)C3)n2C[C@@H](c2ccsc2)N(C)C)cc1 ZINC001305946639 1068261920 /nfs/dbraw/zinc/26/19/20/1068261920.db2.gz XDJPZPSARYRXDV-QFIPXVFZSA-N 0 3 466.655 3.931 20 0 JHADHN CCc1ccc(-c2nnc(N3CCN(C[C@H]4CCOC4)CC3)n2C[C@](C)(O)CCC(C)C)cc1 ZINC001305948542 1068268854 /nfs/dbraw/zinc/26/88/54/1068268854.db2.gz UWWGPUNOKBXFOV-YIXXDRMTSA-N 0 3 469.674 3.853 20 0 JHADHN CCc1ccc(-c2nnc(N3CCO[C@H](C)C3)n2C[C@H](C(CC)CC)N2CCOCC2)cc1 ZINC001305950524 1068274029 /nfs/dbraw/zinc/27/40/29/1068274029.db2.gz SQQIGKMQASOPNJ-HYBUGGRVSA-N 0 3 455.647 3.870 20 0 JHADHN CCc1ccc(-c2nnc(N3CCO[C@@H](C)C3)n2C[C@H](C(CC)CC)N2CCOCC2)cc1 ZINC001305950523 1068274109 /nfs/dbraw/zinc/27/41/09/1068274109.db2.gz SQQIGKMQASOPNJ-GBXCKJPGSA-N 0 3 455.647 3.870 20 0 JHADHN CCc1ccc(-c2nnc(N3CCN(CCOC)[C@@H](CC)C3)n2Cc2cnccc2OC)cc1 ZINC001305951968 1068276272 /nfs/dbraw/zinc/27/62/72/1068276272.db2.gz ZSWMKOYOKYKSBB-QHCPKHFHSA-N 0 3 464.614 3.506 20 0 JHADHN CCc1ccc(CCn2c(C(=O)Nc3ccccn3)nnc2N2C[C@H](C)N(CC)C[C@H]2C)cc1 ZINC001305957324 1068285907 /nfs/dbraw/zinc/28/59/07/1068285907.db2.gz HMWRCEJECWPHGV-VQTJNVASSA-N 0 3 461.614 3.649 20 0 JHADHN CCc1ccc(CCn2c(C(=O)Nc3ccccn3)nnc2N2C[C@@H](C)N(CC)C[C@@H]2C)cc1 ZINC001305957322 1068286009 /nfs/dbraw/zinc/28/60/09/1068286009.db2.gz HMWRCEJECWPHGV-UXHICEINSA-N 0 3 461.614 3.649 20 0 JHADHN CCc1ccc(Cn2c(CNC(=O)c3cccs3)nnc2N2C[C@H](C)N(CC)C[C@H]2C)s1 ZINC001305967535 1068301970 /nfs/dbraw/zinc/30/19/70/1068301970.db2.gz MBTGATJJIQLVMU-DLBZAZTESA-N 0 3 472.684 3.861 20 0 JHADHN CCc1cccc2c(CCn3c(C(=O)NC(C)C)nnc3N3C[C@H](C)N(CC)C[C@@H]3C)c[nH]c21 ZINC001305968079 1068303344 /nfs/dbraw/zinc/30/33/44/1068303344.db2.gz YTYBKTVMVCDYKK-OALUTQOASA-N 0 3 465.646 3.622 20 0 JHADHN CCc1ccccc1OCc1nnc(N2CCN(CC)[C@@H](C)C2)n1CCCn1ccnc1C ZINC001305988353 1068344676 /nfs/dbraw/zinc/34/46/76/1068344676.db2.gz KVQJJGBKBKBBDD-FQEVSTJZSA-N 0 3 451.619 3.545 20 0 JHADHN CCc1nc(C)c(Cn2c(C(=O)NC(CC)CC)nnc2N2CCN(C3CCCCC3)CC2)o1 ZINC001306001686 1068373714 /nfs/dbraw/zinc/37/37/14/1068373714.db2.gz BBWQRUSYYALROC-UHFFFAOYSA-N 0 3 471.650 3.558 20 0 JHADHN CCc1nc(C)c([C@H](C)N(C)c2nnc(C(=O)NC(C)C)n2CCN2CCC[C@@H](C)C2)s1 ZINC001306005568 1068383560 /nfs/dbraw/zinc/38/35/60/1068383560.db2.gz SYEGIDYIUIWKDQ-AEFFLSMTSA-N 0 3 461.680 3.673 20 0 JHADHN CCc1nc(CCn2c(-c3ccc(OC(C)C)c(OC)c3)nnc2N2CCN(C(C)(C)C)CC2)no1 ZINC001306018668 1068406597 /nfs/dbraw/zinc/40/65/97/1068406597.db2.gz SXGKYSNGDZRTLY-UHFFFAOYSA-N 0 3 497.644 3.850 20 0 JHADHN CCc1nnc(N2CCC(C(=O)N3CCC[C@H](C)C3)CC2)n1C[C@H](c1cccc(F)c1)N(C)C ZINC001306118445 1068525759 /nfs/dbraw/zinc/52/57/59/1068525759.db2.gz SSTZBWNVQSAGHW-WMZHIEFXSA-N 0 3 470.637 3.757 20 0 JHADHN CCc1nnc(N2CC[C@H](N3CCN(C(C)C)CC3)C2)n1Cc1cccc(COCC(F)(F)F)c1 ZINC001306140910 1068542175 /nfs/dbraw/zinc/54/21/75/1068542175.db2.gz BBSUXKWONLQXKG-QFIPXVFZSA-N 0 3 494.606 3.572 20 0 JHADHN CCc1nnc(N2CCC[C@@H](CNC(=O)C(C)(C)C)C2)n1CCCN1CCc2ccccc2C1 ZINC001306166945 1068563332 /nfs/dbraw/zinc/56/33/32/1068563332.db2.gz YKCCZSBFDVKFRG-NRFANRHFSA-N 0 3 466.674 3.668 20 0 JHADHN CCc1noc([C@H](C)N2CCN(c3nnc(C(C)C)n3C[C@H](c3cccs3)N(C)C)CC2)n1 ZINC001306230455 1068616342 /nfs/dbraw/zinc/61/63/42/1068616342.db2.gz QTFIZCWREMQYFT-ZWKOTPCHSA-N 0 3 472.663 3.595 20 0 JHADHN CC[C@H]1C(=O)NCCN1c1nnc(-c2ccccc2Cl)n1C[C@H](c1ccsc1)N(C)C ZINC001306248753 1068658955 /nfs/dbraw/zinc/65/89/55/1068658955.db2.gz ICWYSDRXJSCCSX-RBUKOAKNSA-N 0 3 459.019 3.678 20 0 JHADHN CC[C@H]1C(=O)NCCN1c1nnc(COc2ccc(C)c(C)c2)n1C[C@H](c1cccs1)N(C)C ZINC001306262410 1068672557 /nfs/dbraw/zinc/67/25/57/1068672557.db2.gz XIQDCTXICPOVSS-LEWJYISDSA-N 0 3 482.654 3.553 20 0 JHADHN CC[C@@H]1[C@@H](C)CCN1c1nnc(COc2ccccc2OC)n1C[C@@H](C)N1CCN(CC)CC1 ZINC001306279748 1068694772 /nfs/dbraw/zinc/69/47/72/1068694772.db2.gz POFXKJXULQBMPH-BHDDXSALSA-N 0 3 470.662 3.517 20 0 JHADHN CC[C@@H]1C[C@H](C)CN1c1nnc(COc2ccc(F)cc2)n1C[C@H](C)CN1CCN(CC)CC1 ZINC001306292615 1068709643 /nfs/dbraw/zinc/70/96/43/1068709643.db2.gz BZUZMJBUNVWDOX-QZNHQXDQSA-N 0 3 472.653 3.895 20 0 JHADHN CC[C@@H]1CCCN(c2nnc(Cc3ccccc3C)n2CCCN2CCC[C@@H]2C(=O)N(C)C)C1 ZINC001306334550 1068772123 /nfs/dbraw/zinc/77/21/23/1068772123.db2.gz DHOIXJDLRHFFMZ-ISKFKSNPSA-N 0 3 466.674 3.746 20 0 JHADHN CC[C@@H]1CCCN(c2nnc(COc3ccc(F)cc3)n2C[C@@H](C)N2CCN(CC)CC2)C1 ZINC001306343196 1068778925 /nfs/dbraw/zinc/77/89/25/1068778925.db2.gz QTNORHCTBSOWAV-NHCUHLMSSA-N 0 3 458.626 3.649 20 0 JHADHN CC[C@H]1CCN(c2nnc(COc3ccc(C)cc3)n2C[C@H](C)CN2CCN(CC)CC2)C1 ZINC001306383845 1068816456 /nfs/dbraw/zinc/81/64/56/1068816456.db2.gz UZSJLWAWLOZCMT-PKTZIBPZSA-N 0 3 454.663 3.675 20 0 JHADHN CC[C@H]1CN(c2nnc(-c3ccc(Br)cc3)n2CCN2CC=CCC2)C[C@H](C)O1 ZINC001306407151 1068880296 /nfs/dbraw/zinc/88/02/96/1068880296.db2.gz WDGPWYLAYNWYOF-PXNSSMCTSA-N 0 3 460.420 3.973 20 0 JHADHN CC[C@@H]1CN(c2nnc(Cc3ccc(F)cc3)n2C[C@H](C)CN2CCN(CC)CC2)CCS1 ZINC001306438191 1068943422 /nfs/dbraw/zinc/94/34/22/1068943422.db2.gz KQPHTUCOWSSKSE-NFBKMPQASA-N 0 3 474.694 3.613 20 0 JHADHN CC[C@@H]1CN(c2nnc(Cc3ccccn3)n2C[C@H](c2ccco2)N(CC)CC)C[C@@H](C)O1 ZINC001306442397 1068951415 /nfs/dbraw/zinc/95/14/15/1068951415.db2.gz VBEMGXYQCONQGE-CEMLEFRQSA-N 0 3 452.603 3.944 20 0 JHADHN CC[C@@H]1CN(c2nnc(COc3ccc(Cl)cc3)n2C[C@@H](C)N2CCN(CC)CC2)CCS1 ZINC001306454212 1068975191 /nfs/dbraw/zinc/97/51/91/1068975191.db2.gz SMCBVXODJSRFES-DENIHFKCSA-N 0 3 493.121 3.868 20 0 JHADHN CC[C@H]1CN(c2nnc([C@H]3CCCO3)n2CCN2CCCCC2)CC[C@@H]1NC(=O)OC(C)(C)C ZINC001306461887 1068997326 /nfs/dbraw/zinc/99/73/26/1068997326.db2.gz GKVOWOGQDFAMAJ-PCCBWWKXSA-N 0 3 476.666 3.745 20 0 JHADHN COc1ccc([C@H](NC(C)C)C(=O)N[C@H](C)CC(=O)Nc2cccc(N3CCCC3)c2)cc1 ZINC001306490037 1069028912 /nfs/dbraw/zinc/02/89/12/1069028912.db2.gz JRPKYYYEPZBPAH-CLOONOSVSA-N 0 3 452.599 3.868 20 0 JHADHN CC/C=C/Cn1c(COc2ccccc2OCC)nnc1N1CCN(C2CCOCC2)CC1 ZINC001306489884 1069028972 /nfs/dbraw/zinc/02/89/72/1069028972.db2.gz PRQKEMSDWDWWLZ-VMPITWQZSA-N 0 3 455.603 3.523 20 0 JHADHN CN(C)CCN(CC(=O)N(C)C)C(=O)Nc1cccc(Oc2cccc(C(F)(F)F)c2)c1 ZINC001310592956 1069038089 /nfs/dbraw/zinc/03/80/89/1069038089.db2.gz JVIRVQPHVHLCNV-UHFFFAOYSA-N 0 3 452.477 3.981 20 0 JHADHN CCCC(=O)Nc1ccc(Cn2c(-c3cccn3C)nnc2N2C[C@H](C)N(CC)C[C@H]2C)cc1 ZINC001306494953 1069039108 /nfs/dbraw/zinc/03/91/08/1069039108.db2.gz VMFRCTTZTRZRAC-VQTJNVASSA-N 0 3 463.630 3.989 20 0 JHADHN COc1ccc(Cn2ccc(NC(=O)NC3CC(N4CCC(C(F)(F)F)CC4)C3)n2)cc1 ZINC001310598133 1069042278 /nfs/dbraw/zinc/04/22/78/1069042278.db2.gz BCSYCUNWDQVDTE-UHFFFAOYSA-N 0 3 451.493 3.867 20 0 JHADHN COc1cccc(CN(CCN(C)C)C(=O)Nc2ccc3c(c2)CCC(=O)N3CC2CC2)c1 ZINC001310601471 1069045202 /nfs/dbraw/zinc/04/52/02/1069045202.db2.gz YCAKIILDAYFZIC-UHFFFAOYSA-N 0 3 450.583 3.980 20 0 JHADHN Cc1cc(O[C@H]2CCN(C)C2=O)ccc1NC(=O)N(CCN(C)C)Cc1cccc(Cl)c1 ZINC001310648739 1069083927 /nfs/dbraw/zinc/08/39/27/1069083927.db2.gz HIPIWTCRUPSYLR-QFIPXVFZSA-N 0 3 458.990 3.854 20 0 JHADHN CCCC(=O)NC[C@H]1CCCN(c2nnc(C(C)C)n2C[C@H](c2cccc(F)c2)N(C)C)C1 ZINC001306515446 1069117905 /nfs/dbraw/zinc/11/79/05/1069117905.db2.gz QRJRSJUWAMLJDL-DENIHFKCSA-N 0 3 458.626 3.976 20 0 JHADHN O=C(NCC1(N2CCSCC2)CCCC1)Nc1ccc2nccnc2c1Br ZINC001310714988 1069129745 /nfs/dbraw/zinc/12/97/45/1069129745.db2.gz LABLXTLFDHFBBJ-UHFFFAOYSA-N 0 3 450.406 3.875 20 0 JHADHN CN1CCC(Oc2ccc(Cl)cc2NC(=O)NCc2cnc(Br)cn2)CC1 ZINC001310743694 1069146248 /nfs/dbraw/zinc/14/62/48/1069146248.db2.gz UPSBKNKNXLYFPB-UHFFFAOYSA-N 0 3 454.756 3.687 20 0 JHADHN CCOC(=O)c1cc(COC)cc(NC(=O)N(C)C2CCN(CCc3ccccn3)CC2)c1 ZINC001310785649 1069161521 /nfs/dbraw/zinc/16/15/21/1069161521.db2.gz JFPNUELEYLBUPB-UHFFFAOYSA-N 0 3 454.571 3.576 20 0 JHADHN CNC(=O)c1cc(Oc2cccc(NC(=O)N3CCN(CC4CCCCC4)CC3)c2)ccn1 ZINC001310819546 1069176729 /nfs/dbraw/zinc/17/67/29/1069176729.db2.gz SGKJCXRZJHJWGD-UHFFFAOYSA-N 0 3 451.571 3.963 20 0 JHADHN CN(C(=O)Nc1ccc(S(=O)(=O)NC(C)(C)C)cc1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC001310866530 1069199508 /nfs/dbraw/zinc/19/95/08/1069199508.db2.gz WMETVEZWQRNDOZ-OAQYLSRUSA-N 0 3 458.628 3.892 20 0 JHADHN CC[C@H](CNC(=O)N[C@H](CNC(=O)OC(C)(C)C)C(F)(F)F)N1CCc2ccccc2C1 ZINC001310932703 1069225862 /nfs/dbraw/zinc/22/58/62/1069225862.db2.gz VPQWOTRCHJWQCR-QZTJIDSGSA-N 0 3 458.525 3.578 20 0 JHADHN CCC[C@H](Cn1c([C@@H]2CCCN2C(=O)OC(C)(C)C)nnc1N1CCN(CC(C)C)CC1)OC ZINC001306590864 1069259923 /nfs/dbraw/zinc/25/99/23/1069259923.db2.gz CEJAXRLTMMTHBV-RTWAWAEBSA-N 0 3 478.682 3.943 20 0 JHADHN CCCC(O)(CCC)Cn1c(-c2cccc(C)n2)nnc1N1CC[C@@H](N2CCN(C(C)C)CC2)C1 ZINC001306596909 1069271277 /nfs/dbraw/zinc/27/12/77/1069271277.db2.gz WLJZAYSQBFZREA-HSZRJFAPSA-N 0 3 483.705 3.585 20 0 JHADHN CN(C)CCN(Cc1ccc(C(F)(F)F)cc1)C(=O)Nc1cccc2c1N(C)C(=O)CO2 ZINC001311151829 1069285161 /nfs/dbraw/zinc/28/51/61/1069285161.db2.gz HDIUJXMUHVKSBY-UHFFFAOYSA-N 0 3 450.461 3.656 20 0 JHADHN CCC[C@@H]1CN(c2nnc(-c3ccc(CC)cc3)n2Cc2ccc(C)n(C)c2=O)CCN1CCOC ZINC001306618210 1069300874 /nfs/dbraw/zinc/30/08/74/1069300874.db2.gz DGVUNZUHKBCNRP-RUZDIDTESA-N 0 3 492.668 3.500 20 0 JHADHN CN1CC[C@](O)(CNC(=O)Nc2ccc(Br)c(OCCC3CCCCC3)c2)C1 ZINC001311226820 1069302233 /nfs/dbraw/zinc/30/22/33/1069302233.db2.gz HVCIRMYFCUPUOD-NRFANRHFSA-N 0 3 454.409 3.986 20 0 JHADHN c1csc(-c2csc3nc(CN4CCCCC4)nc(N4CC[C@H]5NCCO[C@@H]5C4)c23)c1 ZINC001164390103 718825026 /nfs/dbraw/zinc/82/50/26/718825026.db2.gz MKHKHEYHCILVBP-QZTJIDSGSA-N 0 3 455.653 3.973 20 0 JHADHN FC(F)(c1nc(Cl)cc(N2CCOCC2)n1)N1CCC[C@@H]2CN(Cc3ccccc3)C[C@@H]21 ZINC001164620486 719064435 /nfs/dbraw/zinc/06/44/35/719064435.db2.gz FLOLQTDZSNSKPU-MOPGFXCFSA-N 0 3 463.960 3.612 20 0 JHADHN Cc1sc2nc(CN3CCCC3)nc(N3CCc4ncc(CN5CCCC5)n4CC3)c2c1C ZINC001164736089 720580730 /nfs/dbraw/zinc/58/07/30/720580730.db2.gz BDVFPDQPCJCWLY-UHFFFAOYSA-N 0 3 465.671 3.759 20 0 JHADHN O=C(Nc1cccnc1Cl)OCC(F)(F)N1CCCn2cnc(CNC3CCC3)c2C1 ZINC001164844822 720740909 /nfs/dbraw/zinc/74/09/09/720740909.db2.gz UNAVVWLKXMNIAY-UHFFFAOYSA-N 0 3 454.909 3.621 20 0 JHADHN Clc1cccc(-c2nc3c(c(N4CCN5C[C@H](Oc6cncnc6)C[C@H]5C4)n2)CCCC3)c1 ZINC001164742175 720785713 /nfs/dbraw/zinc/78/57/13/720785713.db2.gz CKHGQUADRFPAAI-VQTJNVASSA-N 0 3 462.985 3.808 20 0 JHADHN CN(C)Cc1nc2scc(-c3ccccc3)c2c(N2CCN3C[C@@H](Oc4cncnc4)C[C@@H]3C2)n1 ZINC001164743523 720792091 /nfs/dbraw/zinc/79/20/91/720792091.db2.gz GMRULSXZENHWRJ-UXHICEINSA-N 0 3 487.633 3.552 20 0 JHADHN Cc1ccc(S(=O)(=O)n2ccc3c2ncnc3N2CCn3c(CN(C)C(C)C)cnc3[C@H]2C)cc1 ZINC001164861632 720930428 /nfs/dbraw/zinc/93/04/28/720930428.db2.gz TZYLNZGKPSYABX-LJQANCHMSA-N 0 3 493.637 3.595 20 0 JHADHN Cn1cc(CN2CC[C@H]3CN(c4cc(C(=O)Nc5ccc(Cl)nc5)ccc4F)C[C@H]3C2)cn1 ZINC001164768115 721135301 /nfs/dbraw/zinc/13/53/01/721135301.db2.gz NHAVGCQOIWPMQC-RBUKOAKNSA-N 0 3 468.964 3.818 20 0 JHADHN Cn1cc(CN2CC[C@H]3CN(c4ccc(C(=O)Nc5cccc(Cl)c5)cn4)C[C@H]3C2)cn1 ZINC001164771424 721202280 /nfs/dbraw/zinc/20/22/80/721202280.db2.gz POZJAIDFZLKYCX-VQTJNVASSA-N 0 3 450.974 3.679 20 0 JHADHN CN1CCN(C[C@@H]2CCC[C@@]3(CCN(c4ncccc4OCc4ccc(F)cc4)C3)O2)CC1 ZINC001164898344 721440786 /nfs/dbraw/zinc/44/07/86/721440786.db2.gz VSBWGKNUCRSCCG-OZXSUGGESA-N 0 3 454.590 3.565 20 0 JHADHN O=C(c1cc(Cl)nc(N2CCN3C[C@H](Oc4cccc(F)c4)C[C@@H]3C2)c1)N1CCCCC1 ZINC001164899903 721520421 /nfs/dbraw/zinc/52/04/21/721520421.db2.gz MINUQRPLKPBPRO-TZIWHRDSSA-N 0 3 458.965 3.842 20 0 JHADHN CCOC(=O)c1ccc2ncnc(N3CCC(F)(F)[C@]4(CCN(Cc5ccccn5)C4)C3)c2c1 ZINC001164907731 721704909 /nfs/dbraw/zinc/70/49/09/721704909.db2.gz SYRXWALFEWYAAZ-DEOSSOPVSA-N 0 3 467.520 3.939 20 0 JHADHN FC(F)(c1cc(Cl)nc(Cl)n1)N1CCC2(CC1)COCCN(Cc1ccncc1)C2 ZINC001164958106 722052113 /nfs/dbraw/zinc/05/21/13/722052113.db2.gz COKIUUASBLSFQE-UHFFFAOYSA-N 0 3 458.340 3.842 20 0 JHADHN c1ccc(CN2CCc3ncnc(N4CCC5(CC4)COCCN(Cc4ccncc4)C5)c3C2)cc1 ZINC001164960518 722053291 /nfs/dbraw/zinc/05/32/91/722053291.db2.gz QYULHYUGGSITTA-UHFFFAOYSA-N 0 3 484.648 3.549 20 0 JHADHN FC(F)(COc1ccnc(Cl)c1)N1CCC2(CC1)COCCN(Cc1ccncc1)C2 ZINC001164963258 722055647 /nfs/dbraw/zinc/05/56/47/722055647.db2.gz KDBORCJPUOQTKZ-UHFFFAOYSA-N 0 3 452.933 3.716 20 0 JHADHN FC(F)(c1ccc2ncc(Cl)nc2c1)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164976406 722105963 /nfs/dbraw/zinc/10/59/63/722105963.db2.gz CUWHXCJXECEILL-DYESRHJHSA-N 0 3 459.928 3.950 20 0 JHADHN FC(F)(c1ccc2nc(Cl)cnc2c1)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164980437 722112640 /nfs/dbraw/zinc/11/26/40/722112640.db2.gz RETKICKQCOUNAQ-DYESRHJHSA-N 0 3 459.928 3.950 20 0 JHADHN FC(F)(Oc1ccc2c(Cl)ncnc2c1)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164980310 722133507 /nfs/dbraw/zinc/13/35/07/722133507.db2.gz MRORRJGGPOWADL-DYESRHJHSA-N 0 3 475.927 3.830 20 0 JHADHN FC(F)(Oc1ccc2c(Cl)ncnc2c1)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164980313 722133671 /nfs/dbraw/zinc/13/36/71/722133671.db2.gz MRORRJGGPOWADL-UTKZUKDTSA-N 0 3 475.927 3.830 20 0 JHADHN COc1ccc2nc(C(F)(F)N3CC[C@H]4CN(Cc5cccnc5)CCO[C@H]4C3)nc(Cl)c2c1 ZINC001164978861 722145907 /nfs/dbraw/zinc/14/59/07/722145907.db2.gz JZQTXXQPIDDRBM-UWJYYQICSA-N 0 3 489.954 3.959 20 0 JHADHN FC(F)(c1cc(Cl)nc(-c2ccccn2)n1)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@@H]2C1 ZINC001164977024 722146290 /nfs/dbraw/zinc/14/62/90/722146290.db2.gz HOAWNZITAHUMGR-UYAOXDASSA-N 0 3 486.954 3.859 20 0 JHADHN COc1ccc(Oc2cc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@H]4C3)nc(C)n2)cc1 ZINC001164972473 722152626 /nfs/dbraw/zinc/15/26/26/722152626.db2.gz IAEPDGCAKQZGPF-QPPBQGQZSA-N 0 3 461.566 3.708 20 0 JHADHN FC(F)(Oc1cc(Cl)nc(Cl)c1)N1CC[C@@H]2CN(Cc3cccnc3)CCO[C@H]2C1 ZINC001164972604 722155334 /nfs/dbraw/zinc/15/53/34/722155334.db2.gz IOUUHNLBTNJOCJ-WBVHZDCISA-N 0 3 459.324 3.935 20 0 JHADHN Clc1nnc(Cl)c(N2CC[C@@H]3CN(Cc4cccnc4)CCO[C@@H]3C2)c1N1CCCCC1 ZINC001164973086 722158765 /nfs/dbraw/zinc/15/87/65/722158765.db2.gz LAPNKMVMJWCPSO-RTBURBONSA-N 0 3 477.440 3.896 20 0 JHADHN