smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Clc1ccc(-c2nc3ccccc3c(N3CC[C@@H]4[C@@H]3CCN4Cc3cccnc3)n2)cc1 ZINC001164731057 720380168 /nfs/dbraw/zinc/38/01/68/720380168.db2.gz YOMUZHYXMYOYIE-RPWUZVMVSA-N 0 3 441.966 5.198 20 0 IKADHN Clc1ccc2c(c1)nc(-c1ccccc1)nc2N1CC[C@@H]2[C@@H]1CCN2Cc1cccnc1 ZINC001164725451 720399644 /nfs/dbraw/zinc/39/96/44/720399644.db2.gz NMMIEXVHYABDSX-RPWUZVMVSA-N 0 3 441.966 5.198 20 0 IKADHN Clc1nc2sc(-c3ccccc3)cc2c(N2CC[C@@H]3[C@@H]2CCN3Cc2cccnc2)n1 ZINC001164731917 720414799 /nfs/dbraw/zinc/41/47/99/720414799.db2.gz MJVYYGGAJXDZGJ-UXHICEINSA-N 0 3 447.995 5.260 20 0 IKADHN Clc1nc2sc(-c3ccccc3)cc2c(N2CC[C@H]3[C@H]2CCN3Cc2cccnc2)n1 ZINC001164731922 720414898 /nfs/dbraw/zinc/41/48/98/720414898.db2.gz MJVYYGGAJXDZGJ-VQTJNVASSA-N 0 3 447.995 5.260 20 0 IKADHN Clc1ccc2nc(N3CC[C@@H]4[C@H]3CCN4Cc3cccnc3)nc(-c3ccccc3)c2c1 ZINC001164731571 720433625 /nfs/dbraw/zinc/43/36/25/720433625.db2.gz LWZDACWDCVZDOS-DNQXCXABSA-N 0 3 441.966 5.198 20 0 IKADHN Clc1ccc(-c2csc3ncnc(N4CC[C@@H]5[C@@H]4CCN5Cc4cccnc4)c23)cc1 ZINC001164735039 720434440 /nfs/dbraw/zinc/43/44/40/720434440.db2.gz VELFFORQVHJBDH-RTWAWAEBSA-N 0 3 447.995 5.260 20 0 IKADHN Cc1sc2nc(-c3cccs3)nc(N3CC[C@@H]4[C@@H]3CCN4Cc3cccnc3)c2c1C ZINC001164732839 720440650 /nfs/dbraw/zinc/44/06/50/720440650.db2.gz OOKCVSGTCCBCJQ-MOPGFXCFSA-N 0 3 447.633 5.285 20 0 IKADHN c1csc(-c2nc(-c3ccccc3)cc(N3CC[C@H]4[C@H]3CCN4Cc3cccnc3)n2)c1 ZINC001164728632 720455404 /nfs/dbraw/zinc/45/54/04/720455404.db2.gz FUIPRQJZINNMAC-XZOQPEGZSA-N 0 3 439.588 5.120 20 0 IKADHN c1ccc(-c2ccc(-c3ccc(N4CC[C@H]5[C@@H]4CCN5Cc4cccnc4)nn3)cc2)cc1 ZINC001164735917 720458702 /nfs/dbraw/zinc/45/87/02/720458702.db2.gz ZLOQGHZIUOMELY-SVBPBHIXSA-N 0 3 433.559 5.059 20 0 IKADHN Fc1ccc2c(c1)cc(Cl)nc2N1CCC(F)(F)[C@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164903331 721583609 /nfs/dbraw/zinc/58/36/09/721583609.db2.gz LWQJQUGRCLMCPJ-QFIPXVFZSA-N 0 3 446.904 5.160 20 0 IKADHN FC1(F)CCN(c2ccc3cccc(Cl)c3n2)C[C@@]12CCN(Cc1ccccn1)C2 ZINC001164908419 721699084 /nfs/dbraw/zinc/69/90/84/721699084.db2.gz ZAOMFKOCEDXRAI-QFIPXVFZSA-N 0 3 428.914 5.021 20 0 IKADHN FC1(F)CCN(c2nccc3c(Cl)cccc32)C[C@]12CCN(Cc1ccccn1)C2 ZINC001164904194 721701177 /nfs/dbraw/zinc/70/11/77/721701177.db2.gz DRMWODUTKFCEBO-JOCHJYFZSA-N 0 3 428.914 5.021 20 0 IKADHN FC1(F)CCN(c2ccc3ccc(Cl)cc3n2)C[C@@]12CCN(Cc1ccccn1)C2 ZINC001164906570 721713840 /nfs/dbraw/zinc/71/38/40/721713840.db2.gz MWFGVUDKKLMGNX-QFIPXVFZSA-N 0 3 428.914 5.021 20 0 IKADHN Cc1ccc2cc(Cl)nc(N3CCC(F)(F)[C@]4(CCN(Cc5ccccn5)C4)C3)c2c1 ZINC001164908542 721716212 /nfs/dbraw/zinc/71/62/12/721716212.db2.gz XSLZOZSCRREGKI-QHCPKHFHSA-N 0 3 442.941 5.329 20 0 IKADHN Cc1ccc2c(c1)cc(Cl)nc2N1CCC(F)(F)[C@@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164904364 721716927 /nfs/dbraw/zinc/71/69/27/721716927.db2.gz CIKGIAFGBPJEJO-HSZRJFAPSA-N 0 3 442.941 5.329 20 0 IKADHN Cc1cc(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)nc2c(Cl)cccc12 ZINC001164907038 721717395 /nfs/dbraw/zinc/71/73/95/721717395.db2.gz PRALTALFTFEBTN-HSZRJFAPSA-N 0 3 442.941 5.329 20 0 IKADHN Cc1cccc2cc(Cl)nc(N3CCC(F)(F)[C@@]4(CCN(Cc5ccccn5)C4)C3)c12 ZINC001164913958 721734489 /nfs/dbraw/zinc/73/44/89/721734489.db2.gz ZQTFQAVZTXFUQE-HSZRJFAPSA-N 0 3 442.941 5.329 20 0 IKADHN Fc1ccc(Cl)c2ccc(N3CCC(F)(F)[C@]4(CCN(Cc5ccccn5)C4)C3)nc12 ZINC001164911761 721734994 /nfs/dbraw/zinc/73/49/94/721734994.db2.gz KFLBGKZKJSRAEJ-QFIPXVFZSA-N 0 3 446.904 5.160 20 0 IKADHN Fc1cccc2c(N3CCC(F)(F)[C@]4(CCN(Cc5ccccn5)C4)C3)cc(Cl)nc12 ZINC001164912708 721736214 /nfs/dbraw/zinc/73/62/14/721736214.db2.gz POIIGHNHVQKELU-QFIPXVFZSA-N 0 3 446.904 5.160 20 0 IKADHN Fc1cccc(CN2CC[C@@]23CCCN(c2nc(-c4ccncc4)nc4sccc42)C3)c1 ZINC001164995018 722211398 /nfs/dbraw/zinc/21/13/98/722211398.db2.gz FKVSYSMTVKXTOZ-RUZDIDTESA-N 0 3 445.567 5.137 20 0 IKADHN Fc1cccc(CN2CC[C@@]23CCCN(c2nc(C(F)F)nc4ccc(Cl)cc42)C3)c1 ZINC001164996937 722212069 /nfs/dbraw/zinc/21/20/69/722212069.db2.gz OSEDADCYLBITKZ-HSZRJFAPSA-N 0 3 446.904 5.605 20 0 IKADHN COc1ccc2c(c1)nc(Cl)cc2N1CCC2(CCCN2Cc2csc(C)n2)CC1 ZINC001164694074 719808374 /nfs/dbraw/zinc/80/83/74/719808374.db2.gz UNSXOZQJCUANHY-UHFFFAOYSA-N 0 3 443.016 5.297 20 0 IKADHN Cn1cnc2c1cc(C1CCN(C(C)(C)c3ccnc(Cl)c3)CC1)nc2-c1cccnc1 ZINC001164704944 719881447 /nfs/dbraw/zinc/88/14/47/719881447.db2.gz XVTQRMDQDILHNT-UHFFFAOYSA-N 0 3 446.986 5.193 20 0 IKADHN c1ccc(-c2ncc(N3CC[C@@H]4[C@H]3CCN4Cc3cccnc3)nc2-c2ccccc2)cc1 ZINC001164725135 720376876 /nfs/dbraw/zinc/37/68/76/720376876.db2.gz MLSFMSBJMBJZTH-JWQCQUIFSA-N 0 3 433.559 5.059 20 0 IKADHN c1ccc(COc2ccc3nc(N4CC[C@H]5[C@@H]4CCN5Cc4cccnc4)ccc3c2)cc1 ZINC001164725880 720398953 /nfs/dbraw/zinc/39/89/53/720398953.db2.gz OAXBBNPNFBDTQL-SVBPBHIXSA-N 0 3 436.559 5.062 20 0 IKADHN Clc1ccc(-c2csc3ncnc(N4CC[C@H]5[C@@H]4CCN5Cc4cccnc4)c23)cc1 ZINC001164735040 720434545 /nfs/dbraw/zinc/43/45/45/720434545.db2.gz VELFFORQVHJBDH-SFTDATJTSA-N 0 3 447.995 5.260 20 0 IKADHN c1ccc(-c2ccc(-c3ccc(N4CC[C@H]5[C@H]4CCN5Cc4cccnc4)nn3)cc2)cc1 ZINC001164735916 720457257 /nfs/dbraw/zinc/45/72/57/720457257.db2.gz ZLOQGHZIUOMELY-RRPNLBNLSA-N 0 3 433.559 5.059 20 0 IKADHN Cc1cc(N2CC[C@@H]3[C@@H]2CCN3Cc2cccnc2)nc(-c2ccc(-c3ccccc3)cc2)n1 ZINC001164734764 720462640 /nfs/dbraw/zinc/46/26/40/720462640.db2.gz UFDSKGKPYUPIET-SXOMAYOGSA-N 0 3 447.586 5.367 20 0 IKADHN c1ccc(Oc2ccc(-c3ccc(N4CC[C@@H]5[C@@H]4CCN5Cc4cccnc4)nn3)cc2)cc1 ZINC001164724167 720466074 /nfs/dbraw/zinc/46/60/74/720466074.db2.gz DZAJKSIGKCJLJJ-SXOMAYOGSA-N 0 3 449.558 5.184 20 0 IKADHN Fc1ccc2cc(Cl)nc(N3CCC(F)(F)[C@]4(CCN(Cc5ccccn5)C4)C3)c2c1 ZINC001164908431 721695199 /nfs/dbraw/zinc/69/51/99/721695199.db2.gz ZEVIHJJGDCTWCG-QFIPXVFZSA-N 0 3 446.904 5.160 20 0 IKADHN Fc1ccc2cc(Cl)nc(N3CCC(F)(F)[C@@]4(CCN(Cc5ccccn5)C4)C3)c2c1 ZINC001164908430 721695802 /nfs/dbraw/zinc/69/58/02/721695802.db2.gz ZEVIHJJGDCTWCG-JOCHJYFZSA-N 0 3 446.904 5.160 20 0 IKADHN FC1(F)CCN(c2cc(Cl)nc3ccsc32)C[C@]12CCN(Cc1ccccn1)C2 ZINC001164906679 721698306 /nfs/dbraw/zinc/69/83/06/721698306.db2.gz OKIZLHDFELMIDW-HXUWFJFHSA-N 0 3 434.943 5.082 20 0 IKADHN FC1(F)CCN(c2ccc3cccc(Cl)c3n2)C[C@]12CCN(Cc1ccccn1)C2 ZINC001164908417 721698933 /nfs/dbraw/zinc/69/89/33/721698933.db2.gz ZAOMFKOCEDXRAI-JOCHJYFZSA-N 0 3 428.914 5.021 20 0 IKADHN Cc1ccc2c(c1)cc(Cl)nc2N1CCC(F)(F)[C@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164904365 721717830 /nfs/dbraw/zinc/71/78/30/721717830.db2.gz CIKGIAFGBPJEJO-QHCPKHFHSA-N 0 3 442.941 5.329 20 0 IKADHN Fc1ccc(Cl)c2ccc(N3CCC(F)(F)[C@@]4(CCN(Cc5ccccn5)C4)C3)nc12 ZINC001164911758 721734327 /nfs/dbraw/zinc/73/43/27/721734327.db2.gz KFLBGKZKJSRAEJ-JOCHJYFZSA-N 0 3 446.904 5.160 20 0 IKADHN Cc1cccc2cc(Cl)nc(N3CCC(F)(F)[C@]4(CCN(Cc5ccccn5)C4)C3)c12 ZINC001164913960 721734542 /nfs/dbraw/zinc/73/45/42/721734542.db2.gz ZQTFQAVZTXFUQE-QHCPKHFHSA-N 0 3 442.941 5.329 20 0 IKADHN Fc1cccc2c(N3CCC(F)(F)[C@@]4(CCN(Cc5ccccn5)C4)C3)cc(Cl)nc12 ZINC001164912705 721736390 /nfs/dbraw/zinc/73/63/90/721736390.db2.gz POIIGHNHVQKELU-JOCHJYFZSA-N 0 3 446.904 5.160 20 0 IKADHN C[C@H]1CCCN(c2c3c(cnc2Cl)C2(CCN(Cc4ccccc4)CC2)OC3=O)[C@H]1C ZINC001165052299 721998010 /nfs/dbraw/zinc/99/80/10/721998010.db2.gz PCIKKNOGLYDXQT-ROUUACIJSA-N 0 3 439.987 5.022 20 0 IKADHN C[C@@H]1CCCN(c2c3c(cnc2Cl)C2(CCN(Cc4ccccc4)CC2)OC3=O)[C@@H]1C ZINC001165052297 721998022 /nfs/dbraw/zinc/99/80/22/721998022.db2.gz PCIKKNOGLYDXQT-QZTJIDSGSA-N 0 3 439.987 5.022 20 0 IKADHN COc1cccc2c(N3CCC4(CCCN4Cc4csc(C)n4)CC3)cc(Cl)nc12 ZINC001164692675 719803503 /nfs/dbraw/zinc/80/35/03/719803503.db2.gz OOELDCIEICOSSD-UHFFFAOYSA-N 0 3 443.016 5.297 20 0 IKADHN Cc1nc(CN2CCCC23CCN(c2cc(Cl)nc4cc(C)ccc42)CC3)cs1 ZINC001164694011 719810506 /nfs/dbraw/zinc/81/05/06/719810506.db2.gz TWKICHWFRXVNOR-UHFFFAOYSA-N 0 3 427.017 5.597 20 0 IKADHN Clc1ccc(-c2nc3ccccc3c(N3CC[C@H]4[C@H]3CCN4Cc3cccnc3)n2)cc1 ZINC001164731055 720380351 /nfs/dbraw/zinc/38/03/51/720380351.db2.gz YOMUZHYXMYOYIE-BJKOFHAPSA-N 0 3 441.966 5.198 20 0 IKADHN c1ccc(COc2ccc3nc(N4CC[C@H]5[C@H]4CCN5Cc4cccnc4)ccc3c2)cc1 ZINC001164725879 720399257 /nfs/dbraw/zinc/39/92/57/720399257.db2.gz OAXBBNPNFBDTQL-RRPNLBNLSA-N 0 3 436.559 5.062 20 0 IKADHN Clc1ccc2nc(N3CC[C@@H]4[C@@H]3CCN4Cc3cccnc3)nc(-c3ccccc3)c2c1 ZINC001164731573 720434591 /nfs/dbraw/zinc/43/45/91/720434591.db2.gz LWZDACWDCVZDOS-RPWUZVMVSA-N 0 3 441.966 5.198 20 0 IKADHN c1ccc(-c2ccc(-c3ccc(N4CC[C@@H]5[C@H]4CCN5Cc4cccnc4)nn3)cc2)cc1 ZINC001164735915 720457841 /nfs/dbraw/zinc/45/78/41/720457841.db2.gz ZLOQGHZIUOMELY-KAYWLYCHSA-N 0 3 433.559 5.059 20 0 IKADHN c1ccc(Oc2ccc(-c3ccc(N4CC[C@H]5[C@H]4CCN5Cc4cccnc4)nn3)cc2)cc1 ZINC001164724162 720466711 /nfs/dbraw/zinc/46/67/11/720466711.db2.gz DZAJKSIGKCJLJJ-RRPNLBNLSA-N 0 3 449.558 5.184 20 0 IKADHN FC1(F)CCN(c2cc(Cl)nc3ccccc32)C[C@@]12CCN(Cc1ccccn1)C2 ZINC001164905177 721583739 /nfs/dbraw/zinc/58/37/39/721583739.db2.gz UFCJHGMCCNQPSB-QFIPXVFZSA-N 0 3 428.914 5.021 20 0 IKADHN FC1(F)CCN(c2cc(Cl)nc3ccsc32)C[C@@]12CCN(Cc1ccccn1)C2 ZINC001164906676 721698237 /nfs/dbraw/zinc/69/82/37/721698237.db2.gz OKIZLHDFELMIDW-FQEVSTJZSA-N 0 3 434.943 5.082 20 0 IKADHN FC1(F)CCN(c2ccc3ccc(Cl)cc3n2)C[C@]12CCN(Cc1ccccn1)C2 ZINC001164906567 721714037 /nfs/dbraw/zinc/71/40/37/721714037.db2.gz MWFGVUDKKLMGNX-JOCHJYFZSA-N 0 3 428.914 5.021 20 0 IKADHN Cc1cc(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)nc2c(Cl)cccc12 ZINC001164907041 721716898 /nfs/dbraw/zinc/71/68/98/721716898.db2.gz PRALTALFTFEBTN-QHCPKHFHSA-N 0 3 442.941 5.329 20 0 IKADHN Cc1c(Cl)ccc2ccc(N3CCC(F)(F)[C@]4(CCN(Cc5ccccn5)C4)C3)nc12 ZINC001164908530 721719224 /nfs/dbraw/zinc/71/92/24/721719224.db2.gz XILUXCIZULRIIC-QHCPKHFHSA-N 0 3 442.941 5.329 20 0 IKADHN Fc1cccc2cc(Cl)nc(N3CCC(F)(F)[C@@]4(CCN(Cc5ccccn5)C4)C3)c12 ZINC001164910562 721738119 /nfs/dbraw/zinc/73/81/19/721738119.db2.gz GDPKDYPNKCQZLA-JOCHJYFZSA-N 0 3 446.904 5.160 20 0 IKADHN Fc1cccc(CN2CC[C@]23CCCN(c2cc(F)ccc2-c2ccc(Cl)nn2)C3)c1 ZINC001164994035 722209777 /nfs/dbraw/zinc/20/97/77/722209777.db2.gz DLSMYWCFQPYLNT-DEOSSOPVSA-N 0 3 440.925 5.320 20 0 IKADHN Cc1nc(CN2CCCC23CCN(c2cc(Cl)nc4ccc(F)cc42)CC3)cs1 ZINC001164691966 719806632 /nfs/dbraw/zinc/80/66/32/719806632.db2.gz CNSPKOFCLSMFKV-UHFFFAOYSA-N 0 3 430.980 5.427 20 0 IKADHN Clc1ccc2nc(-c3ccccc3)nc(N3CC[C@H]4[C@H]3CCN4Cc3cccnc3)c2c1 ZINC001164726957 720399620 /nfs/dbraw/zinc/39/96/20/720399620.db2.gz QACWNDGQVWRLJO-BJKOFHAPSA-N 0 3 441.966 5.198 20 0 IKADHN Cc1ccc(-c2nnc(N3CC[C@H]4[C@@H]3CCN4Cc3cccnc3)c3ccccc32)cc1C ZINC001164725741 720435551 /nfs/dbraw/zinc/43/55/51/720435551.db2.gz AWUNSLATIYUOBH-UIOOFZCWSA-N 0 3 435.575 5.162 20 0 IKADHN COc1ccc2c(c1)nc(N1CC[C@H]3[C@H]1CCN3Cc1cccnc1)cc2-c1ccccc1 ZINC001164727816 720440170 /nfs/dbraw/zinc/44/01/70/720440170.db2.gz FCIYPNXPSKHYCN-RRPNLBNLSA-N 0 3 436.559 5.159 20 0 IKADHN c1cncc(CN2CC[C@@H]3[C@@H]2CCN3c2ccc(-c3ccc(C4CCCCC4)cc3)nn2)c1 ZINC001164722926 720465556 /nfs/dbraw/zinc/46/55/56/720465556.db2.gz BGJZSZLWGYZVCG-RRPNLBNLSA-N 0 3 439.607 5.440 20 0 IKADHN c1cncc(CN2CC[C@H]3[C@H]2CCN3c2ccc(-c3ccc(C4CCCCC4)cc3)nn2)c1 ZINC001164722932 720465745 /nfs/dbraw/zinc/46/57/45/720465745.db2.gz BGJZSZLWGYZVCG-SXOMAYOGSA-N 0 3 439.607 5.440 20 0 IKADHN Cc1ccc2nc(Cl)cc(N3CCC(F)(F)[C@]4(CCN(Cc5ccccn5)C4)C3)c2c1 ZINC001164906953 721696317 /nfs/dbraw/zinc/69/63/17/721696317.db2.gz PIFUIPTVRANJBB-QHCPKHFHSA-N 0 3 442.941 5.329 20 0 IKADHN FC1(F)CCN(c2cc(Cl)nc3sccc32)C[C@@]12CCN(Cc1ccccn1)C2 ZINC001164904927 721698324 /nfs/dbraw/zinc/69/83/24/721698324.db2.gz HQYNVHAKPWYGDL-FQEVSTJZSA-N 0 3 434.943 5.082 20 0 IKADHN FC1(F)CCN(c2ccc3c(Cl)cccc3n2)C[C@]12CCN(Cc1ccccn1)C2 ZINC001164907111 721702734 /nfs/dbraw/zinc/70/27/34/721702734.db2.gz SDFCPXXJAZTPDW-JOCHJYFZSA-N 0 3 428.914 5.021 20 0 IKADHN FC1(F)CCN(c2nccc3cccc(Cl)c32)C[C@@]12CCN(Cc1ccccn1)C2 ZINC001164907707 721707086 /nfs/dbraw/zinc/70/70/86/721707086.db2.gz SPVDKIRAGHYYLF-QFIPXVFZSA-N 0 3 428.914 5.021 20 0 IKADHN Cc1c(Cl)ccc2ccc(N3CCC(F)(F)[C@@]4(CCN(Cc5ccccn5)C4)C3)nc12 ZINC001164908529 721719095 /nfs/dbraw/zinc/71/90/95/721719095.db2.gz XILUXCIZULRIIC-HSZRJFAPSA-N 0 3 442.941 5.329 20 0 IKADHN c1ccc(-c2cc(-c3ccccc3)nc(N3CC[C@H]4[C@@H]3CCN4Cc3cccnc3)n2)cc1 ZINC001164725212 720359573 /nfs/dbraw/zinc/35/95/73/720359573.db2.gz MPOUPUIVZYHVTE-SVBPBHIXSA-N 0 3 433.559 5.059 20 0 IKADHN c1ccc(-c2cc(-c3ccccc3)nc(N3CC[C@H]4[C@H]3CCN4Cc3cccnc3)n2)cc1 ZINC001164725211 720359968 /nfs/dbraw/zinc/35/99/68/720359968.db2.gz MPOUPUIVZYHVTE-RRPNLBNLSA-N 0 3 433.559 5.059 20 0 IKADHN c1ccc(-c2ncc(N3CC[C@@H]4[C@@H]3CCN4Cc3cccnc3)nc2-c2ccccc2)cc1 ZINC001164725137 720377493 /nfs/dbraw/zinc/37/74/93/720377493.db2.gz MLSFMSBJMBJZTH-RPBOFIJWSA-N 0 3 433.559 5.059 20 0 IKADHN Clc1ccc(-c2nc3ccccc3c(N3CC[C@@H]4[C@H]3CCN4Cc3cccnc3)n2)cc1 ZINC001164731056 720380791 /nfs/dbraw/zinc/38/07/91/720380791.db2.gz YOMUZHYXMYOYIE-DNQXCXABSA-N 0 3 441.966 5.198 20 0 IKADHN Clc1ccc2c(c1)nc(-c1ccccc1)nc2N1CC[C@H]2[C@@H]1CCN2Cc1cccnc1 ZINC001164725454 720399281 /nfs/dbraw/zinc/39/92/81/720399281.db2.gz NMMIEXVHYABDSX-ZEQRLZLVSA-N 0 3 441.966 5.198 20 0 IKADHN Clc1ccc2c(c1)nc(-c1ccccc1)nc2N1CC[C@H]2[C@H]1CCN2Cc1cccnc1 ZINC001164725441 720399852 /nfs/dbraw/zinc/39/98/52/720399852.db2.gz NMMIEXVHYABDSX-BJKOFHAPSA-N 0 3 441.966 5.198 20 0 IKADHN c1ccc(COc2ccc3nc(N4CC[C@@H]5[C@H]4CCN5Cc4cccnc4)ccc3c2)cc1 ZINC001164725878 720400059 /nfs/dbraw/zinc/40/00/59/720400059.db2.gz OAXBBNPNFBDTQL-KAYWLYCHSA-N 0 3 436.559 5.062 20 0 IKADHN Clc1ccc2nc(-c3ccccc3)nc(N3CC[C@H]4[C@@H]3CCN4Cc3cccnc3)c2c1 ZINC001164726968 720400834 /nfs/dbraw/zinc/40/08/34/720400834.db2.gz QACWNDGQVWRLJO-ZEQRLZLVSA-N 0 3 441.966 5.198 20 0 IKADHN Clc1ccc2nc(N3CC[C@H]4[C@@H]3CCN4Cc3cccnc3)nc(-c3ccccc3)c2c1 ZINC001164731575 720433706 /nfs/dbraw/zinc/43/37/06/720433706.db2.gz LWZDACWDCVZDOS-ZEQRLZLVSA-N 0 3 441.966 5.198 20 0 IKADHN Cc1sc2nc(-c3cccs3)nc(N3CC[C@H]4[C@H]3CCN4Cc3cccnc3)c2c1C ZINC001164732841 720439337 /nfs/dbraw/zinc/43/93/37/720439337.db2.gz OOKCVSGTCCBCJQ-RBUKOAKNSA-N 0 3 447.633 5.285 20 0 IKADHN Cc1cc(N2CC[C@@H]3[C@H]2CCN3Cc2cccnc2)nc(-c2ccc(-c3ccccc3)cc2)n1 ZINC001164734761 720462250 /nfs/dbraw/zinc/46/22/50/720462250.db2.gz UFDSKGKPYUPIET-KAYWLYCHSA-N 0 3 447.586 5.367 20 0 IKADHN c1cncc(CN2CC[C@H]3[C@@H]2CCN3c2ccc(-c3ccc(C4CCCCC4)cc3)nn2)c1 ZINC001164722929 720466863 /nfs/dbraw/zinc/46/68/63/720466863.db2.gz BGJZSZLWGYZVCG-SVBPBHIXSA-N 0 3 439.607 5.440 20 0 IKADHN Fc1ccc2c(c1)cc(Cl)nc2N1CCC(F)(F)[C@@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164903330 721583283 /nfs/dbraw/zinc/58/32/83/721583283.db2.gz LWQJQUGRCLMCPJ-JOCHJYFZSA-N 0 3 446.904 5.160 20 0 IKADHN FC1(F)CCN(c2nccc3cc(Cl)ccc32)C[C@@]12CCN(Cc1ccccn1)C2 ZINC001164907437 721698105 /nfs/dbraw/zinc/69/81/05/721698105.db2.gz SQKAHSFGYJYTIE-QFIPXVFZSA-N 0 3 428.914 5.021 20 0 IKADHN FC1(F)CCN(c2cc(Cl)nc3sccc32)C[C@]12CCN(Cc1ccccn1)C2 ZINC001164904929 721698463 /nfs/dbraw/zinc/69/84/63/721698463.db2.gz HQYNVHAKPWYGDL-HXUWFJFHSA-N 0 3 434.943 5.082 20 0 IKADHN FC1(F)CCN(c2nccc3c(Cl)cccc32)C[C@@]12CCN(Cc1ccccn1)C2 ZINC001164904200 721702257 /nfs/dbraw/zinc/70/22/57/721702257.db2.gz DRMWODUTKFCEBO-QFIPXVFZSA-N 0 3 428.914 5.021 20 0 IKADHN Cc1cc(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)nc2cc(Cl)ccc12 ZINC001164906239 721713536 /nfs/dbraw/zinc/71/35/36/721713536.db2.gz LLDLFIXAIDEWPD-HSZRJFAPSA-N 0 3 442.941 5.329 20 0 IKADHN Cc1cc(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)nc2cc(Cl)ccc12 ZINC001164906241 721714629 /nfs/dbraw/zinc/71/46/29/721714629.db2.gz LLDLFIXAIDEWPD-QHCPKHFHSA-N 0 3 442.941 5.329 20 0 IKADHN CC(C)c1cc(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)nc(C(C)(C)C)n1 ZINC001164913163 721730550 /nfs/dbraw/zinc/73/05/50/721730550.db2.gz UQMFSTHXHXBNOJ-XMMPIXPASA-N 0 3 443.586 5.030 20 0 IKADHN Fc1cccc(CN2CC[C@]23CCCN(c2nc(-c4ccccn4)nc4sccc42)C3)c1 ZINC001164995494 722211151 /nfs/dbraw/zinc/21/11/51/722211151.db2.gz JDLNFRXLULOFFV-VWLOTQADSA-N 0 3 445.567 5.137 20 0 IKADHN c1ccc(-c2ncc(N3CC[C@H]4[C@@H]3CCN4Cc3cccnc3)nc2-c2ccccc2)cc1 ZINC001164725134 720377256 /nfs/dbraw/zinc/37/72/56/720377256.db2.gz MLSFMSBJMBJZTH-DQEYMECFSA-N 0 3 433.559 5.059 20 0 IKADHN c1ccc(COc2ccc3nc(N4CC[C@@H]5[C@@H]4CCN5Cc4cccnc4)ccc3c2)cc1 ZINC001164725881 720399478 /nfs/dbraw/zinc/39/94/78/720399478.db2.gz OAXBBNPNFBDTQL-SXOMAYOGSA-N 0 3 436.559 5.062 20 0 IKADHN Clc1ccc2nc(-c3ccccc3)nc(N3CC[C@@H]4[C@H]3CCN4Cc3cccnc3)c2c1 ZINC001164726961 720400032 /nfs/dbraw/zinc/40/00/32/720400032.db2.gz QACWNDGQVWRLJO-DNQXCXABSA-N 0 3 441.966 5.198 20 0 IKADHN Clc1ccc(-c2csc3ncnc(N4CC[C@@H]5[C@H]4CCN5Cc4cccnc4)c23)cc1 ZINC001164735038 720433247 /nfs/dbraw/zinc/43/32/47/720433247.db2.gz VELFFORQVHJBDH-NHCUHLMSSA-N 0 3 447.995 5.260 20 0 IKADHN Clc1ccc2nc(N3CC[C@H]4[C@H]3CCN4Cc3cccnc3)nc(-c3ccccc3)c2c1 ZINC001164731568 720433478 /nfs/dbraw/zinc/43/34/78/720433478.db2.gz LWZDACWDCVZDOS-BJKOFHAPSA-N 0 3 441.966 5.198 20 0 IKADHN c1csc(-c2nc(-c3ccccc3)cc(N3CC[C@@H]4[C@@H]3CCN4Cc3cccnc3)n2)c1 ZINC001164728629 720456878 /nfs/dbraw/zinc/45/68/78/720456878.db2.gz FUIPRQJZINNMAC-PKTZIBPZSA-N 0 3 439.588 5.120 20 0 IKADHN c1ccc(-c2ccc(-c3ccc(N4CC[C@@H]5[C@@H]4CCN5Cc4cccnc4)nn3)cc2)cc1 ZINC001164735918 720458049 /nfs/dbraw/zinc/45/80/49/720458049.db2.gz ZLOQGHZIUOMELY-SXOMAYOGSA-N 0 3 433.559 5.059 20 0 IKADHN Cc1cc(N2CC[C@H]3[C@@H]2CCN3Cc2cccnc2)nc(-c2ccc(-c3ccccc3)cc2)n1 ZINC001164734763 720462310 /nfs/dbraw/zinc/46/23/10/720462310.db2.gz UFDSKGKPYUPIET-SVBPBHIXSA-N 0 3 447.586 5.367 20 0 IKADHN c1ccc(Oc2ccc(-c3ccc(N4CC[C@H]5[C@@H]4CCN5Cc4cccnc4)nn3)cc2)cc1 ZINC001164724164 720465677 /nfs/dbraw/zinc/46/56/77/720465677.db2.gz DZAJKSIGKCJLJJ-SVBPBHIXSA-N 0 3 449.558 5.184 20 0 IKADHN FC1(F)CCN(c2ccc3cc(Cl)ccc3n2)C[C@]12CCN(Cc1ccccn1)C2 ZINC001164906701 721587036 /nfs/dbraw/zinc/58/70/36/721587036.db2.gz OZNUUGODABCFLG-JOCHJYFZSA-N 0 3 428.914 5.021 20 0 IKADHN Cc1ccc2nc(Cl)cc(N3CCC(F)(F)[C@@]4(CCN(Cc5ccccn5)C4)C3)c2c1 ZINC001164906946 721696980 /nfs/dbraw/zinc/69/69/80/721696980.db2.gz PIFUIPTVRANJBB-HSZRJFAPSA-N 0 3 442.941 5.329 20 0 IKADHN FC1(F)CCN(c2nccc3cc(Cl)ccc32)C[C@]12CCN(Cc1ccccn1)C2 ZINC001164907436 721698533 /nfs/dbraw/zinc/69/85/33/721698533.db2.gz SQKAHSFGYJYTIE-JOCHJYFZSA-N 0 3 428.914 5.021 20 0 IKADHN FC1(F)CCN(c2ccc3c(Cl)cccc3n2)C[C@@]12CCN(Cc1ccccn1)C2 ZINC001164907112 721703045 /nfs/dbraw/zinc/70/30/45/721703045.db2.gz SDFCPXXJAZTPDW-QFIPXVFZSA-N 0 3 428.914 5.021 20 0 IKADHN FC1(F)CCN(c2nccc3cccc(Cl)c32)C[C@]12CCN(Cc1ccccn1)C2 ZINC001164907705 721706705 /nfs/dbraw/zinc/70/67/05/721706705.db2.gz SPVDKIRAGHYYLF-JOCHJYFZSA-N 0 3 428.914 5.021 20 0 IKADHN Cc1ccc2c(c1)nc(Cl)cc2N1CCC(F)(F)[C@@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164908535 721711526 /nfs/dbraw/zinc/71/15/26/721711526.db2.gz XQVLSTAOAICYGJ-HSZRJFAPSA-N 0 3 442.941 5.329 20 0 IKADHN Cc1ccc2c(c1)nc(Cl)cc2N1CCC(F)(F)[C@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164908536 721711803 /nfs/dbraw/zinc/71/18/03/721711803.db2.gz XQVLSTAOAICYGJ-QHCPKHFHSA-N 0 3 442.941 5.329 20 0 IKADHN Cc1ccc(F)c2cc(C)c(N3CCC(F)(F)[C@]4(CCN(Cc5ccccn5)C4)C3)nc12 ZINC001164906149 721712288 /nfs/dbraw/zinc/71/22/88/721712288.db2.gz KGTAOBUEXXDKBL-DEOSSOPVSA-N 0 3 440.513 5.123 20 0 IKADHN Cc1ccc2cc(Cl)nc(N3CCC(F)(F)[C@@]4(CCN(Cc5ccccn5)C4)C3)c2c1 ZINC001164908541 721716451 /nfs/dbraw/zinc/71/64/51/721716451.db2.gz XSLZOZSCRREGKI-HSZRJFAPSA-N 0 3 442.941 5.329 20 0 IKADHN CC(C)c1nc(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)cc(C(C)(C)C)n1 ZINC001164913765 721730580 /nfs/dbraw/zinc/73/05/80/721730580.db2.gz XOGTZJOMBXWZIJ-DEOSSOPVSA-N 0 3 443.586 5.030 20 0 IKADHN Fc1cccc2cc(Cl)nc(N3CCC(F)(F)[C@]4(CCN(Cc5ccccn5)C4)C3)c12 ZINC001164910564 721738579 /nfs/dbraw/zinc/73/85/79/721738579.db2.gz GDPKDYPNKCQZLA-QFIPXVFZSA-N 0 3 446.904 5.160 20 0 IKADHN Fc1cccc(CN2CC[C@@]23CCCN(c2cc(F)ccc2-c2ccc(Cl)nn2)C3)c1 ZINC001164994036 722209912 /nfs/dbraw/zinc/20/99/12/722209912.db2.gz DLSMYWCFQPYLNT-XMMPIXPASA-N 0 3 440.925 5.320 20 0 IKADHN Fc1cccc(CN2CC[C@]23CCCN(c2nc(-c4ccncc4)nc4sccc42)C3)c1 ZINC001164995021 722211709 /nfs/dbraw/zinc/21/17/09/722211709.db2.gz FKVSYSMTVKXTOZ-VWLOTQADSA-N 0 3 445.567 5.137 20 0 IKADHN Fc1cccc(CN2CC[C@]23CCCN(c2nc(C(F)F)nc4ccc(F)cc42)C3)c1 ZINC001164997535 722212012 /nfs/dbraw/zinc/21/20/12/722212012.db2.gz RNRWIZGSOUPLQU-QHCPKHFHSA-N 0 3 430.449 5.091 20 0 IKADHN c1ccc(-c2cc(-c3ccccc3)nc(N3CC[C@@H]4[C@@H]3CCN4Cc3cccnc3)n2)cc1 ZINC001164725215 720359344 /nfs/dbraw/zinc/35/93/44/720359344.db2.gz MPOUPUIVZYHVTE-SXOMAYOGSA-N 0 3 433.559 5.059 20 0 IKADHN Clc1ccc2c(c1)nc(-c1ccccc1)nc2N1CC[C@@H]2[C@H]1CCN2Cc1cccnc1 ZINC001164725449 720398992 /nfs/dbraw/zinc/39/89/92/720398992.db2.gz NMMIEXVHYABDSX-DNQXCXABSA-N 0 3 441.966 5.198 20 0 IKADHN Clc1nc2sc(-c3ccccc3)cc2c(N2CC[C@H]3[C@@H]2CCN3Cc2cccnc2)n1 ZINC001164731900 720415555 /nfs/dbraw/zinc/41/55/55/720415555.db2.gz MJVYYGGAJXDZGJ-PMACEKPBSA-N 0 3 447.995 5.260 20 0 IKADHN Cc1ccc(-c2nnc(N3CC[C@@H]4[C@H]3CCN4Cc3cccnc3)c3ccccc32)cc1C ZINC001164725732 720436005 /nfs/dbraw/zinc/43/60/05/720436005.db2.gz AWUNSLATIYUOBH-CLJLJLNGSA-N 0 3 435.575 5.162 20 0 IKADHN Cc1ccc(-c2nnc(N3CC[C@H]4[C@H]3CCN4Cc3cccnc3)c3ccccc32)cc1C ZINC001164725739 720437005 /nfs/dbraw/zinc/43/70/05/720437005.db2.gz AWUNSLATIYUOBH-IZZNHLLZSA-N 0 3 435.575 5.162 20 0 IKADHN COc1ccc2c(c1)nc(N1CC[C@H]3[C@@H]1CCN3Cc1cccnc1)cc2-c1ccccc1 ZINC001164727825 720439416 /nfs/dbraw/zinc/43/94/16/720439416.db2.gz FCIYPNXPSKHYCN-SVBPBHIXSA-N 0 3 436.559 5.159 20 0 IKADHN Cc1sc2nc(-c3cccs3)nc(N3CC[C@@H]4[C@H]3CCN4Cc3cccnc3)c2c1C ZINC001164732842 720439754 /nfs/dbraw/zinc/43/97/54/720439754.db2.gz OOKCVSGTCCBCJQ-RTBURBONSA-N 0 3 447.633 5.285 20 0 IKADHN Cc1sc2nc(-c3cccs3)nc(N3CC[C@H]4[C@@H]3CCN4Cc3cccnc3)c2c1C ZINC001164732840 720440230 /nfs/dbraw/zinc/44/02/30/720440230.db2.gz OOKCVSGTCCBCJQ-OALUTQOASA-N 0 3 447.633 5.285 20 0 IKADHN COc1ccc2c(c1)nc(N1CC[C@@H]3[C@H]1CCN3Cc1cccnc1)cc2-c1ccccc1 ZINC001164727794 720440492 /nfs/dbraw/zinc/44/04/92/720440492.db2.gz FCIYPNXPSKHYCN-KAYWLYCHSA-N 0 3 436.559 5.159 20 0 IKADHN c1csc(-c2nc(-c3ccccc3)cc(N3CC[C@@H]4[C@H]3CCN4Cc3cccnc3)n2)c1 ZINC001164728593 720455802 /nfs/dbraw/zinc/45/58/02/720455802.db2.gz FUIPRQJZINNMAC-DHIUTWEWSA-N 0 3 439.588 5.120 20 0 IKADHN c1csc(-c2nc(-c3ccccc3)cc(N3CC[C@H]4[C@@H]3CCN4Cc3cccnc3)n2)c1 ZINC001164728624 720456808 /nfs/dbraw/zinc/45/68/08/720456808.db2.gz FUIPRQJZINNMAC-GOTSBHOMSA-N 0 3 439.588 5.120 20 0 IKADHN Cc1cc(N2CC[C@H]3[C@H]2CCN3Cc2cccnc2)nc(-c2ccc(-c3ccccc3)cc2)n1 ZINC001164734762 720461546 /nfs/dbraw/zinc/46/15/46/720461546.db2.gz UFDSKGKPYUPIET-RRPNLBNLSA-N 0 3 447.586 5.367 20 0 IKADHN c1cncc(CN2CC[C@@H]3[C@H]2CCN3c2ccc(-c3ccc(C4CCCCC4)cc3)nn2)c1 ZINC001164722924 720467171 /nfs/dbraw/zinc/46/71/71/720467171.db2.gz BGJZSZLWGYZVCG-KAYWLYCHSA-N 0 3 439.607 5.440 20 0 IKADHN FC1(F)CCN(c2cc(Cl)nc3ccccc32)C[C@]12CCN(Cc1ccccn1)C2 ZINC001164905176 721583414 /nfs/dbraw/zinc/58/34/14/721583414.db2.gz UFCJHGMCCNQPSB-JOCHJYFZSA-N 0 3 428.914 5.021 20 0 IKADHN FC1(F)CCN(c2ccc3cc(Cl)ccc3n2)C[C@@]12CCN(Cc1ccccn1)C2 ZINC001164906702 721587131 /nfs/dbraw/zinc/58/71/31/721587131.db2.gz OZNUUGODABCFLG-QFIPXVFZSA-N 0 3 428.914 5.021 20 0 IKADHN Fc1ccc2nc(Cl)cc(N3CCC(F)(F)[C@]4(CCN(Cc5ccccn5)C4)C3)c2c1 ZINC001164904800 721695462 /nfs/dbraw/zinc/69/54/62/721695462.db2.gz GNZWROMBOPPYLY-QFIPXVFZSA-N 0 3 446.904 5.160 20 0 IKADHN Fc1ccc2nc(Cl)cc(N3CCC(F)(F)[C@@]4(CCN(Cc5ccccn5)C4)C3)c2c1 ZINC001164904797 721695987 /nfs/dbraw/zinc/69/59/87/721695987.db2.gz GNZWROMBOPPYLY-JOCHJYFZSA-N 0 3 446.904 5.160 20 0 IKADHN CC(C)c1nc(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)cc(C(C)(C)C)n1 ZINC001164913766 721730302 /nfs/dbraw/zinc/73/03/02/721730302.db2.gz XOGTZJOMBXWZIJ-XMMPIXPASA-N 0 3 443.586 5.030 20 0 IKADHN Fc1cc2ccnc(N3CCC(F)(F)[C@@]4(CCN(Cc5ccccn5)C4)C3)c2cc1Cl ZINC001164911626 721733507 /nfs/dbraw/zinc/73/35/07/721733507.db2.gz JTAWYZQLQJDIBQ-JOCHJYFZSA-N 0 3 446.904 5.160 20 0 IKADHN C[C@@H]1[C@@H](C)CCCN1c1c2c(cnc1Cl)C1(CCN(Cc3ccccc3)CC1)OC2=O ZINC001165052302 721998249 /nfs/dbraw/zinc/99/82/49/721998249.db2.gz PCIKKNOGLYDXQT-ZWKOTPCHSA-N 0 3 439.987 5.022 20 0 IKADHN Fc1cccc(CN2CC[C@@]23CCCN(c2nc(-c4cccnc4)nc4ccccc42)C3)c1 ZINC001164994421 722207907 /nfs/dbraw/zinc/20/79/07/722207907.db2.gz GOHYYXZFFSHJGY-HHHXNRCGSA-N 0 3 439.538 5.076 20 0 IKADHN Fc1cccc(CN2CC[C@]23CCCN(c2nc(C(F)F)nc4ccc(Cl)cc42)C3)c1 ZINC001164996938 722212228 /nfs/dbraw/zinc/21/22/28/722212228.db2.gz OSEDADCYLBITKZ-QHCPKHFHSA-N 0 3 446.904 5.605 20 0 IKADHN Fc1cccc(CN2CC[C@@]23CCCN(c2nc(C(F)F)nc4ccc(F)cc42)C3)c1 ZINC001164997533 722212390 /nfs/dbraw/zinc/21/23/90/722212390.db2.gz RNRWIZGSOUPLQU-HSZRJFAPSA-N 0 3 430.449 5.091 20 0 IKADHN Cc1nc(CN2CCCC23CCN(c2cc(Cl)nc4ccc(C)cc42)CC3)cs1 ZINC001164692456 719806879 /nfs/dbraw/zinc/80/68/79/719806879.db2.gz HMIVZIKWLWLDPV-UHFFFAOYSA-N 0 3 427.017 5.597 20 0 IKADHN c1ccc(-c2cc(-c3ccccc3)nc(N3CC[C@@H]4[C@H]3CCN4Cc3cccnc3)n2)cc1 ZINC001164725209 720359005 /nfs/dbraw/zinc/35/90/05/720359005.db2.gz MPOUPUIVZYHVTE-KAYWLYCHSA-N 0 3 433.559 5.059 20 0 IKADHN c1ccc(-c2ncc(N3CC[C@H]4[C@H]3CCN4Cc3cccnc3)nc2-c2ccccc2)cc1 ZINC001164725136 720377104 /nfs/dbraw/zinc/37/71/04/720377104.db2.gz MLSFMSBJMBJZTH-LOSJGSFVSA-N 0 3 433.559 5.059 20 0 IKADHN Clc1ccc(-c2nc3ccccc3c(N3CC[C@H]4[C@@H]3CCN4Cc3cccnc3)n2)cc1 ZINC001164731058 720380595 /nfs/dbraw/zinc/38/05/95/720380595.db2.gz YOMUZHYXMYOYIE-ZEQRLZLVSA-N 0 3 441.966 5.198 20 0 IKADHN Clc1ccc2nc(-c3ccccc3)nc(N3CC[C@@H]4[C@@H]3CCN4Cc3cccnc3)c2c1 ZINC001164726964 720398885 /nfs/dbraw/zinc/39/88/85/720398885.db2.gz QACWNDGQVWRLJO-RPWUZVMVSA-N 0 3 441.966 5.198 20 0 IKADHN Clc1nc2sc(-c3ccccc3)cc2c(N2CC[C@@H]3[C@H]2CCN3Cc2cccnc2)n1 ZINC001164731930 720414002 /nfs/dbraw/zinc/41/40/02/720414002.db2.gz MJVYYGGAJXDZGJ-WOJBJXKFSA-N 0 3 447.995 5.260 20 0 IKADHN Clc1ccc(-c2csc3ncnc(N4CC[C@H]5[C@H]4CCN5Cc4cccnc4)c23)cc1 ZINC001164735037 720434515 /nfs/dbraw/zinc/43/45/15/720434515.db2.gz VELFFORQVHJBDH-LEWJYISDSA-N 0 3 447.995 5.260 20 0 IKADHN Cc1ccc(-c2nnc(N3CC[C@@H]4[C@@H]3CCN4Cc3cccnc3)c3ccccc32)cc1C ZINC001164725736 720435514 /nfs/dbraw/zinc/43/55/14/720435514.db2.gz AWUNSLATIYUOBH-FTJBHMTQSA-N 0 3 435.575 5.162 20 0 IKADHN COc1ccc2c(c1)nc(N1CC[C@@H]3[C@@H]1CCN3Cc1cccnc1)cc2-c1ccccc1 ZINC001164727832 720439864 /nfs/dbraw/zinc/43/98/64/720439864.db2.gz FCIYPNXPSKHYCN-SXOMAYOGSA-N 0 3 436.559 5.159 20 0 IKADHN c1ccc(Oc2ccc(-c3ccc(N4CC[C@@H]5[C@H]4CCN5Cc4cccnc4)nn3)cc2)cc1 ZINC001164724159 720466969 /nfs/dbraw/zinc/46/69/69/720466969.db2.gz DZAJKSIGKCJLJJ-KAYWLYCHSA-N 0 3 449.558 5.184 20 0 IKADHN Cc1ccc(F)c2cc(C)c(N3CCC(F)(F)[C@@]4(CCN(Cc5ccccn5)C4)C3)nc12 ZINC001164906163 721712749 /nfs/dbraw/zinc/71/27/49/721712749.db2.gz KGTAOBUEXXDKBL-XMMPIXPASA-N 0 3 440.513 5.123 20 0 IKADHN CC(C)c1cc(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)nc(C(C)(C)C)n1 ZINC001164913162 721730249 /nfs/dbraw/zinc/73/02/49/721730249.db2.gz UQMFSTHXHXBNOJ-DEOSSOPVSA-N 0 3 443.586 5.030 20 0 IKADHN Fc1cc2ccnc(N3CCC(F)(F)[C@]4(CCN(Cc5ccccn5)C4)C3)c2cc1Cl ZINC001164911628 721733180 /nfs/dbraw/zinc/73/31/80/721733180.db2.gz JTAWYZQLQJDIBQ-QFIPXVFZSA-N 0 3 446.904 5.160 20 0 IKADHN C[C@@H]1CCCN(c2c3c(cnc2Cl)C2(CCN(Cc4ccccc4)CC2)OC3=O)[C@H]1C ZINC001165052294 721997931 /nfs/dbraw/zinc/99/79/31/721997931.db2.gz PCIKKNOGLYDXQT-MSOLQXFVSA-N 0 3 439.987 5.022 20 0 IKADHN Fc1cccc(CN2CC[C@]23CCCN(c2nc(-c4ccccn4)nc4ccccc42)C3)c1 ZINC001164996263 722207707 /nfs/dbraw/zinc/20/77/07/722207707.db2.gz SJUZLUSNONNJSK-MHZLTWQESA-N 0 3 439.538 5.076 20 0 IKADHN Fc1cccc(CN2CC[C@]23CCCN(c2nc(-c4cccnc4)nc4ccccc42)C3)c1 ZINC001164994422 722207792 /nfs/dbraw/zinc/20/77/92/722207792.db2.gz GOHYYXZFFSHJGY-MHZLTWQESA-N 0 3 439.538 5.076 20 0 IKADHN Fc1cccc(CN2CC[C@@]23CCCN(c2nc(-c4ccccn4)nc4ccccc42)C3)c1 ZINC001164996262 722207969 /nfs/dbraw/zinc/20/79/69/722207969.db2.gz SJUZLUSNONNJSK-HHHXNRCGSA-N 0 3 439.538 5.076 20 0 IKADHN Fc1cccc(CN2CC[C@@]23CCCN(c2nc(-c4ccccn4)nc4sccc42)C3)c1 ZINC001164995493 722211333 /nfs/dbraw/zinc/21/13/33/722211333.db2.gz JDLNFRXLULOFFV-RUZDIDTESA-N 0 3 445.567 5.137 20 0 IKADHN CNc1ccc(CN2CCC(OC(=O)NC(c3ccccc3)c3ccccc3)CC2)cc1 ZINC000003828639 569587451 /nfs/dbraw/zinc/58/74/51/569587451.db2.gz YLHJUSKJLHTVJY-UHFFFAOYSA-N 0 3 429.564 5.209 20 0 IKADHN