smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COC(=O)c1ccc(-c2ccc(N3CCC4(CCCN4Cc4csc(C)n4)CC3)nc2C)cc1 ZINC001164692645 719812519 /nfs/dbraw/zinc/81/25/19/719812519.db2.gz QJSZOBOOEIPDOZ-UHFFFAOYSA-N 0 1 476.646 5.244 20 0 JKADMN Cc1nc(CN2CCCC23CCN(c2nc(-c4cccnc4)nc4ccccc42)CC3)cs1 ZINC001164691577 719813006 /nfs/dbraw/zinc/81/30/06/719813006.db2.gz HXMOBLSEDIIUAV-UHFFFAOYSA-N 0 1 456.619 5.092 20 0 JKADMN Cc1nc(CN2CCCC23CCN(c2ncnc4sc(C)c(-c5ccccc5)c42)CC3)cs1 ZINC001164691320 719813983 /nfs/dbraw/zinc/81/39/83/719813983.db2.gz FYQXGISZFDFGKT-UHFFFAOYSA-N 0 1 475.687 6.067 20 0 JKADMN Cc1nc(CN2CCCC23CCN(c2nc(-c4cccnc4)nc4sc(C)c(C)c42)CC3)cs1 ZINC001164691283 719814098 /nfs/dbraw/zinc/81/40/98/719814098.db2.gz DJIPUVLSTJKKPH-UHFFFAOYSA-N 0 1 490.702 5.770 20 0 JKADMN Cc1nc(CN2CCCC23CCN(c2cc(Cl)nc(-c4ccc(F)cc4)n2)CC3)cs1 ZINC001164693660 719814655 /nfs/dbraw/zinc/81/46/55/719814655.db2.gz XXCKEPBIYHLSGZ-UHFFFAOYSA-N 0 1 458.006 5.336 20 0 JKADMN Cc1nc(CN2CCCC23CCN(c2ccc(-c4ccc(N5CCCCC5)cc4)nn2)CC3)cs1 ZINC001164691161 719816100 /nfs/dbraw/zinc/81/61/00/719816100.db2.gz ABEWPJLWFNVGPW-UHFFFAOYSA-N 0 1 488.705 5.534 20 0 JKADMN Cc1nc(CN2CCCC23CCN(c2c(Cl)nnc(Cl)c2N2CCCCC2)CC3)cs1 ZINC001164702154 719817076 /nfs/dbraw/zinc/81/70/76/719817076.db2.gz RAGUEXYTPRVRIC-UHFFFAOYSA-N 0 1 481.497 5.174 20 0 JKADMN c1csc(CN2CCOC3(CCN(c4ncnc5scc(-c6ccccc6)c54)CC3)C2)c1 ZINC001164694718 719888662 /nfs/dbraw/zinc/88/86/62/719888662.db2.gz CZKIOIKHRDMWCQ-UHFFFAOYSA-N 0 1 462.644 5.291 20 0 JKADMN FC(F)(c1ccc(-c2cc(Cl)ncn2)cc1)N1CCC2(CC1)CN(Cc1cccs1)CCO2 ZINC001164695660 719889841 /nfs/dbraw/zinc/88/98/41/719889841.db2.gz POCVOBFETBSKDI-UHFFFAOYSA-N 0 1 491.007 5.275 20 0 JKADMN c1csc(CN2CCOC3(CCN(c4nc(-c5ccccc5)nc5ccccc54)CC3)C2)c1 ZINC001164695299 719890459 /nfs/dbraw/zinc/89/04/59/719890459.db2.gz MGQXQYHHAMYRIP-UHFFFAOYSA-N 0 1 456.615 5.230 20 0 JKADMN FC(F)(c1ccc2nc(Cl)c(Cl)nc2c1)N1CCC2(CC1)CN(Cc1cccs1)CCO2 ZINC001164696197 719893304 /nfs/dbraw/zinc/89/33/04/719893304.db2.gz BIUJQXBESGUNOR-UHFFFAOYSA-N 0 1 499.414 5.414 20 0 JKADMN c1csc(CN2CCOC3(CCN(c4nnc(Cc5ccccc5)c5ccccc54)CC3)C2)c1 ZINC001164699292 719897999 /nfs/dbraw/zinc/89/79/99/719897999.db2.gz ZFCXSDLVDKOONA-UHFFFAOYSA-N 0 1 470.642 5.154 20 0 JKADMN FC(F)(c1cc(-c2ccccc2)nnc1Cl)N1CCC2(CC1)CN(Cc1cccs1)CCO2 ZINC001164705508 719898603 /nfs/dbraw/zinc/89/86/03/719898603.db2.gz CLUMIRIJJFJJKW-UHFFFAOYSA-N 0 1 491.007 5.275 20 0 JKADMN FC(F)(c1cnc(Cl)c(-c2ccncc2)c1)N1CCC2(CC1)CN(Cc1cccs1)CCO2 ZINC001164706790 719900190 /nfs/dbraw/zinc/90/01/90/719900190.db2.gz KJSNDCGSEOKOGQ-UHFFFAOYSA-N 0 1 491.007 5.275 20 0 JKADMN c1csc(CN2CCOC3(CCN(c4ccc(-c5cccc6ccccc65)nn4)CC3)C2)c1 ZINC001164707511 719902129 /nfs/dbraw/zinc/90/21/29/719902129.db2.gz SDIBLIWHCBNZHU-UHFFFAOYSA-N 0 1 456.615 5.230 20 0 JKADMN Cc1cccc(Oc2nc(Cl)ncc2N2CCC3(CC2)CN(Cc2cccs2)CCO3)c1 ZINC001164705462 719907090 /nfs/dbraw/zinc/90/70/90/719907090.db2.gz BXQUHUPWTXNENL-UHFFFAOYSA-N 0 1 471.026 5.164 20 0 JKADMN Clc1ccc(Oc2nc(Cl)ncc2N2CCC3(CC2)CN(Cc2cccs2)CCO3)cc1 ZINC001164707716 719907656 /nfs/dbraw/zinc/90/76/56/719907656.db2.gz WBWYCWZQSDXIMP-UHFFFAOYSA-N 0 1 491.444 5.509 20 0 JKADMN CC(C)N(C)Cc1cnc2n1CCN(c1nc(-c3ccccc3F)nc3ccc(F)cc31)[C@@H]2C ZINC001164861240 720943597 /nfs/dbraw/zinc/94/35/97/720943597.db2.gz SEQIQEUXEYGKJS-QGZVFWFLSA-N 0 1 462.548 5.193 20 0 JKADMN CC(C)N(C)Cc1cnc2n1CCN(c1nc(Cl)nc(-c3ccc(-c4ccccc4)cc3)n1)[C@@H]2C ZINC001164857553 720962253 /nfs/dbraw/zinc/96/22/53/720962253.db2.gz GJRHXUMXXYQDLC-LJQANCHMSA-N 0 1 488.039 5.477 20 0 JKADMN COc1ccc(-c2nc3ccc(Cl)cc3c(N3CCn4c(CN(C)C(C)C)cnc4[C@@H]3C)n2)cc1 ZINC001164858922 720972618 /nfs/dbraw/zinc/97/26/18/720972618.db2.gz JGTYRYRAKMITQW-SFHVURJKSA-N 0 1 491.039 5.577 20 0 JKADMN CC(C)N(C)Cc1cnc2n1CCN(c1nc(-c3cccs3)nc3sc4c(c31)CCC4)[C@@H]2C ZINC001164856395 721003394 /nfs/dbraw/zinc/00/33/94/721003394.db2.gz CBMHWYYSIVEZOQ-MRXNPFEDSA-N 0 1 478.691 5.526 20 0 JKADMN Cc1sc2nc(-c3cccs3)nc(N3CCn4c(CN(C)C(C)C)cnc4[C@H]3C)c2c1C ZINC001164858119 721003986 /nfs/dbraw/zinc/00/39/86/721003986.db2.gz HAXOLSOQOYYLKJ-MRXNPFEDSA-N 0 1 466.680 5.655 20 0 JKADMN CSCc1nc2sc3c(c2c(N2CCn4c(CN(C)C(C)C)cnc4[C@@H]2C)n1)CCCC3 ZINC001164856431 721004178 /nfs/dbraw/zinc/00/41/78/721004178.db2.gz CJKKVWQTZMTYAZ-INIZCTEOSA-N 0 1 470.712 5.051 20 0 JKADMN CC(C)N(C)Cc1cnc2n1CCN(C(F)(F)c1cc(-c3cccs3)nnc1Cl)[C@@H]2C ZINC001164863489 721004671 /nfs/dbraw/zinc/00/46/71/721004671.db2.gz VULJCCSYMDRQQC-CQSZACIVSA-N 0 1 466.989 5.021 20 0 JKADMN CC(C)N(C)Cc1cnc2n1CCN(C(F)(F)c1cnc(Cl)c(-c3ccc(F)cc3)c1)[C@@H]2C ZINC001164862255 721013038 /nfs/dbraw/zinc/01/30/38/721013038.db2.gz PLCZJQNSOFELOF-MRXNPFEDSA-N 0 1 477.962 5.704 20 0 JKADMN CC(C)N(C)Cc1cnc2n1CCN(c1cnc(Cl)nc1Oc1ccc(Cl)cc1)[C@H]2C ZINC001164856780 721018571 /nfs/dbraw/zinc/01/85/71/721018571.db2.gz BWPXXXUGLFFGKG-HNNXBMFYSA-N 0 1 461.397 5.194 20 0 JKADMN Cc1ccc(-c2cc(C(F)(F)N3CCn4c(CN(C)C(C)C)cnc4[C@H]3C)c(Cl)nn2)cc1 ZINC001164864452 721021933 /nfs/dbraw/zinc/02/19/33/721021933.db2.gz XPVIDNHYMOFPGM-QGZVFWFLSA-N 0 1 474.987 5.268 20 0 JKADMN CC(C)N(C)Cc1cnc2n1CCN(C(F)(F)c1cc(-c3cccc(F)c3)nnc1Cl)[C@@H]2C ZINC001164864626 721022003 /nfs/dbraw/zinc/02/20/03/721022003.db2.gz YNIILDOMWSEYNM-OAHLLOKOSA-N 0 1 478.950 5.099 20 0 JKADMN Cn1cc(CN2CC[C@H]3CN(C(F)(F)c4cnc(Cl)c(-c5ccc(Cl)cc5)c4)C[C@@H]3C2)cn1 ZINC001164761939 721247838 /nfs/dbraw/zinc/24/78/38/721247838.db2.gz KQUHDWXBUWUSHL-OALUTQOASA-N 0 1 492.401 5.292 20 0 JKADMN Cc1noc(C)c1CN1CCOC[C@]2(CCCN(c3nc(Cl)ccc3-c3ccccc3)C2)C1 ZINC001164777281 721349584 /nfs/dbraw/zinc/34/95/84/721349584.db2.gz FIONNVZVGLMNGT-AREMUKBSSA-N 0 1 467.013 5.126 20 0 JKADMN Cc1noc(C)c1CN1CCOC[C@]2(CCCN(c3nc(-c4ccsc4)nc4ccccc43)C2)C1 ZINC001164782319 721366782 /nfs/dbraw/zinc/36/67/82/721366782.db2.gz NGOPOQQUCKPCKZ-HHHXNRCGSA-N 0 1 489.645 5.082 20 0 JKADMN FC(F)(c1cc(Cl)nc(Cl)c1)N1CCC(F)(F)[C@@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164906261 721585666 /nfs/dbraw/zinc/58/56/66/721585666.db2.gz MRYQXZWYJNOSBM-GOSISDBHSA-N 0 1 463.306 5.066 20 0 JKADMN FC(F)(c1ccc(Cl)nc1Cl)N1CCC(F)(F)[C@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164905514 721585811 /nfs/dbraw/zinc/58/58/11/721585811.db2.gz JQJQEPBOWHKVOI-SFHVURJKSA-N 0 1 463.306 5.066 20 0 JKADMN FC1(F)CCN(c2nc(-c3ccccc3)cc(-c3ccccc3)n2)C[C@]12CCN(Cc1ccccn1)C2 ZINC001164904774 721695931 /nfs/dbraw/zinc/69/59/31/721695931.db2.gz GJHYRALJVBXVTC-GDLZYMKVSA-N 0 1 497.593 5.943 20 0 JKADMN FC(F)(c1ccc2ccnc(Cl)c2c1)N1CCC(F)(F)[C@@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164907469 721700721 /nfs/dbraw/zinc/70/07/21/721700721.db2.gz TZPDKHBQZHKVEW-JOCHJYFZSA-N 0 1 478.921 5.566 20 0 JKADMN CSc1ccc(C(F)(F)N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)nc1Cl ZINC001164905673 721709475 /nfs/dbraw/zinc/70/94/75/721709475.db2.gz IIVLLHCEHUEVSK-LJQANCHMSA-N 0 1 474.955 5.135 20 0 JKADMN FC(F)(c1cccc2ccnc(Cl)c21)N1CCC(F)(F)[C@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164908552 721711699 /nfs/dbraw/zinc/71/16/99/721711699.db2.gz XXUWFUGGFAGHGI-QFIPXVFZSA-N 0 1 478.921 5.566 20 0 JKADMN FC1(F)CCN(c2ncc(OCc3ccccc3)cc2Cl)C[C@]12CCN(Cc1ccccn1)C2 ZINC001164907640 721720554 /nfs/dbraw/zinc/72/05/54/721720554.db2.gz SFHYEMYPELCFKJ-RUZDIDTESA-N 0 1 484.978 5.447 20 0 JKADMN FC1(F)CCN(c2ccc(-c3ccc(-c4ccccc4)cc3)nn2)C[C@]12CCN(Cc1ccccn1)C2 ZINC001164913409 721730208 /nfs/dbraw/zinc/73/02/08/721730208.db2.gz VFVOIFIRXPJLIC-GDLZYMKVSA-N 0 1 497.593 5.943 20 0 JKADMN FC1(F)CCN(c2ccc(-c3cccc4ccccc43)nn2)C[C@@]12CCN(Cc1ccccn1)C2 ZINC001164912576 721730501 /nfs/dbraw/zinc/73/05/01/721730501.db2.gz NXMUIMZBVFWIRF-MHZLTWQESA-N 0 1 471.555 5.430 20 0 JKADMN Cc1nc(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)nc(C)c1Cc1ccc(Cl)cc1 ZINC001164913726 721734141 /nfs/dbraw/zinc/73/41/41/721734141.db2.gz XBQNJFIVIOLVGY-AREMUKBSSA-N 0 1 498.021 5.470 20 0 JKADMN Cc1ccc(Oc2nc(Cl)ncc2N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)cc1 ZINC001164912168 721735293 /nfs/dbraw/zinc/73/52/93/721735293.db2.gz MGUHVBAJOJXVIN-DEOSSOPVSA-N 0 1 485.966 5.363 20 0 JKADMN FC1(F)CCN(c2cnc(Cl)nc2Oc2ccccc2)C[C@@]12CCN(Cc1ccccn1)C2 ZINC001164913892 721735507 /nfs/dbraw/zinc/73/55/07/721735507.db2.gz ZGSRNGHNZAPUQF-QHCPKHFHSA-N 0 1 471.939 5.055 20 0 JKADMN Fc1cccc(Oc2nc(Cl)ncc2N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)c1 ZINC001164909090 721735620 /nfs/dbraw/zinc/73/56/20/721735620.db2.gz BBDPJDDKMQYELU-HSZRJFAPSA-N 0 1 489.929 5.194 20 0 JKADMN FC1(F)CCN(c2nc(Cl)cc(C3CCCCC3)n2)C[C@]12CCN(Cc1ccccn1)C2 ZINC001164910876 721735756 /nfs/dbraw/zinc/73/57/56/721735756.db2.gz IANWZNILXOQOLS-HSZRJFAPSA-N 0 1 461.988 5.310 20 0 JKADMN Cc1ccc(Oc2nc(Cl)ncc2N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)cc1 ZINC001164912170 721735881 /nfs/dbraw/zinc/73/58/81/721735881.db2.gz MGUHVBAJOJXVIN-XMMPIXPASA-N 0 1 485.966 5.363 20 0 JKADMN Cc1ccccc1Oc1nc(Cl)ncc1N1CCC(F)(F)[C@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164913125 721736180 /nfs/dbraw/zinc/73/61/80/721736180.db2.gz UBKPBCWCUQTJLD-DEOSSOPVSA-N 0 1 485.966 5.363 20 0 JKADMN CCc1cccc(Oc2nc(Cl)ncc2N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)c1 ZINC001164912913 721736197 /nfs/dbraw/zinc/73/61/97/721736197.db2.gz RBXIWAOHTGCGSY-VWLOTQADSA-N 0 1 499.993 5.617 20 0 JKADMN CCc1ccc(Oc2nc(Cl)ncc2N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)cc1 ZINC001164910546 721737705 /nfs/dbraw/zinc/73/77/05/721737705.db2.gz FVEMVAFYBUQKCQ-VWLOTQADSA-N 0 1 499.993 5.617 20 0 JKADMN FC(F)(c1cnc(Cl)c(-c2ccco2)c1)N1CCC(F)(F)[C@@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164911853 721738831 /nfs/dbraw/zinc/73/88/31/721738831.db2.gz LIURYQDDMHIESM-JOCHJYFZSA-N 0 1 494.920 5.673 20 0 JKADMN FC(F)(c1cnc(Cl)c(-c2ccco2)c1)N1CCC(F)(F)[C@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164911854 721738849 /nfs/dbraw/zinc/73/88/49/721738849.db2.gz LIURYQDDMHIESM-QFIPXVFZSA-N 0 1 494.920 5.673 20 0 JKADMN FC(F)(c1ccc2ncnc(Cl)c2c1)N1CC(c2ncn3cc(-c4ccoc4)ccc23)C1 ZINC001165014203 721767258 /nfs/dbraw/zinc/76/72/58/721767258.db2.gz FCKVQMNLQFKSHQ-UHFFFAOYSA-N 0 1 451.864 5.340 20 0 JKADMN FC(F)(c1cc(Cl)nc(-c2ccccc2)n1)N1CC(c2ncn3cc(-c4ccoc4)ccc23)C1 ZINC001165015566 721767264 /nfs/dbraw/zinc/76/72/64/721767264.db2.gz RJZDGPOAPWSBEJ-UHFFFAOYSA-N 0 1 477.902 5.853 20 0 JKADMN FC(F)(c1ccc2c(Cl)nc(Cl)nc2c1)N1CC(c2ncn3cc(-c4ccoc4)ccc23)C1 ZINC001165013781 721767284 /nfs/dbraw/zinc/76/72/84/721767284.db2.gz ADFIJZXUQZPWJE-UHFFFAOYSA-N 0 1 486.309 5.993 20 0 JKADMN FC(F)(c1nc2ccccc2nc1Cl)N1CC(c2ncn3cc(-c4ccoc4)ccc23)C1 ZINC001165016471 721767306 /nfs/dbraw/zinc/76/73/06/721767306.db2.gz WVBSZKONXQYABN-UHFFFAOYSA-N 0 1 451.864 5.340 20 0 JKADMN FC(F)(c1cnc(Cl)c(-c2ccncc2)c1)N1CC(c2ncn3cc(-c4ccoc4)ccc23)C1 ZINC001165015029 721767960 /nfs/dbraw/zinc/76/79/60/721767960.db2.gz MCVPLNASQBPGIP-UHFFFAOYSA-N 0 1 477.902 5.853 20 0 JKADMN FC(F)(c1cnc(Cl)c(-c2cccnc2)c1)N1CC(c2ncn3cc(-c4ccoc4)ccc23)C1 ZINC001165014731 721767980 /nfs/dbraw/zinc/76/79/80/721767980.db2.gz IDEFHXNKWAZKIK-UHFFFAOYSA-N 0 1 477.902 5.853 20 0 JKADMN COc1cccc(OC)c1CN1CCC(N(C)c2nc(C(F)F)nc3ccc(Cl)cc32)CC1 ZINC001165030237 721844756 /nfs/dbraw/zinc/84/47/56/721844756.db2.gz FURAVDQABMPTDL-UHFFFAOYSA-N 0 1 476.955 5.339 20 0 JKADMN Cc1ccc(CN2CCOC3(CCN(C(F)(F)c4nc(Cl)c5ccccc5n4)CC3)C2)cc1 ZINC001164938759 721921147 /nfs/dbraw/zinc/92/11/47/721921147.db2.gz QTMGFMYPBUFRRP-UHFFFAOYSA-N 0 1 472.967 5.008 20 0 JKADMN Cc1ccc(CN2CCOC3(CCN(C(F)(F)c4ccnc(Cl)c4Cl)CC3)C2)cc1 ZINC001164939643 721922291 /nfs/dbraw/zinc/92/22/91/721922291.db2.gz WCBCLHXSDDRGKM-UHFFFAOYSA-N 0 1 456.364 5.113 20 0 JKADMN Cc1ccc(CN2CCOC3(CCN(c4nc(C(F)F)nc5ccc(Cl)cc54)CC3)C2)cc1 ZINC001164938692 721932944 /nfs/dbraw/zinc/93/29/44/721932944.db2.gz DRZWYXFCXRKAKX-UHFFFAOYSA-N 0 1 472.967 5.401 20 0 JKADMN c1ccc(-c2ccc(-c3ccc(N4CCC5(CC4)COCCN(Cc4ccncc4)C5)nn3)cc2)cc1 ZINC001164960701 722060794 /nfs/dbraw/zinc/06/07/94/722060794.db2.gz IBOWBPQSGLBMPT-UHFFFAOYSA-N 0 1 491.639 5.325 20 0 JKADMN c1csc(-c2nc(-c3ccccc3)cc(N3CCC4(CC3)COCCN(Cc3ccncc3)C4)n2)c1 ZINC001164960677 722061009 /nfs/dbraw/zinc/06/10/09/722061009.db2.gz GYMSPCYGHAGXAB-UHFFFAOYSA-N 0 1 497.668 5.386 20 0 JKADMN Clc1ccc2nc(N3CC[C@@H]4CN(Cc5cccnc5)CCO[C@@H]4C3)nc(-c3ccccc3)c2c1 ZINC001164974337 722139068 /nfs/dbraw/zinc/13/90/68/722139068.db2.gz DJCKFXNLHZOVFE-ATIYNZHBSA-N 0 1 486.019 5.073 20 0 JKADMN Cc1nc(CN2CCCC23CCN(c2nc(Cl)nc4c2CN(Cc2ccccc2)C4)CC3)cs1 ZINC001164691952 719806317 /nfs/dbraw/zinc/80/63/17/719806317.db2.gz BKRWZIXMNBBVGS-UHFFFAOYSA-N 0 1 495.096 5.046 20 0 JKADMN CCOC(=O)c1c(Cl)c2ccccc2nc1N1CCC2(CCCN2Cc2csc(C)n2)CC1 ZINC001164692116 719812995 /nfs/dbraw/zinc/81/29/95/719812995.db2.gz MABSNOIZQVQPKT-UHFFFAOYSA-N 0 1 485.053 5.465 20 0 JKADMN Cc1nc(CN2CCCC23CCN(c2nnc(-c4ccc(F)c(F)c4)c4ccccc42)CC3)cs1 ZINC001164692624 719813376 /nfs/dbraw/zinc/81/33/76/719813376.db2.gz PMUZBADRXQJYNE-UHFFFAOYSA-N 0 1 491.611 5.975 20 0 JKADMN Cc1nc(CN2CCCC23CCN(c2cc(SCc4ccccc4)ccn2)CC3)cs1 ZINC001164691559 719814505 /nfs/dbraw/zinc/81/45/05/719814505.db2.gz HHDKQCNSBYYARV-UHFFFAOYSA-N 0 1 450.677 5.774 20 0 JKADMN Cc1nc(CN2CCCC23CCN(c2cnc(Cl)nc2Oc2cccc(F)c2)CC3)cs1 ZINC001164703488 719816736 /nfs/dbraw/zinc/81/67/36/719816736.db2.gz VRGNQGHZCABLJO-UHFFFAOYSA-N 0 1 474.005 5.461 20 0 JKADMN FC(F)(c1cc(Cl)nc(-c2ccccc2)n1)N1CCC2(CC1)CN(Cc1cccs1)CCO2 ZINC001164699025 719895208 /nfs/dbraw/zinc/89/52/08/719895208.db2.gz VSWOQORZVWALCX-UHFFFAOYSA-N 0 1 491.007 5.275 20 0 JKADMN COc1ccc(-c2csc3ncnc(N4CCC5(CC4)CN(Cc4cccs4)CCO5)c23)cc1 ZINC001164698958 719897453 /nfs/dbraw/zinc/89/74/53/719897453.db2.gz UWGORGMKMGTFCQ-UHFFFAOYSA-N 0 1 492.670 5.300 20 0 JKADMN Fc1ccc(-c2csc3ncnc(N4CCC5(CC4)CN(Cc4cccs4)CCO5)c23)cc1 ZINC001164698460 719897865 /nfs/dbraw/zinc/89/78/65/719897865.db2.gz UJTUUWNDIYIYAP-UHFFFAOYSA-N 0 1 480.634 5.430 20 0 JKADMN Cc1c(C)n(Cc2ccccc2)c2ncnc(N3CCC4(CC3)CN(Cc3cccs3)CCO4)c12 ZINC001164699296 719898206 /nfs/dbraw/zinc/89/82/06/719898206.db2.gz ZHXJIRJUAJSJDB-UHFFFAOYSA-N 0 1 487.673 5.029 20 0 JKADMN Cc1nc2scc(-c3cccs3)c2c(N2CCC3(CC2)CN(Cc2cccs2)CCO3)n1 ZINC001164707725 719898698 /nfs/dbraw/zinc/89/86/98/719898698.db2.gz WLGGUJKQQVHBED-UHFFFAOYSA-N 0 1 482.700 5.661 20 0 JKADMN FC(F)c1nc2ccc(Cl)cc2c(N2CCC3(CC2)CN(Cc2cccs2)CCO3)n1 ZINC001164707122 719903750 /nfs/dbraw/zinc/90/37/50/719903750.db2.gz NURNLAATOOUTGT-UHFFFAOYSA-N 0 1 464.969 5.154 20 0 JKADMN c1csc(CN2CCOC3(CCN(c4ncnc5cc(OCc6ccccc6)ccc54)CC3)C2)c1 ZINC001164707317 719908212 /nfs/dbraw/zinc/90/82/12/719908212.db2.gz PESDJGNCBDYMEH-UHFFFAOYSA-N 0 1 486.641 5.142 20 0 JKADMN FC(F)(c1cnc(Cl)c(-c2ccco2)c1)N1CCC2(CC1)CN(Cc1cccs1)CCO2 ZINC001164707329 719909910 /nfs/dbraw/zinc/90/99/10/719909910.db2.gz PLMKMXSVZCXSHH-UHFFFAOYSA-N 0 1 479.980 5.473 20 0 JKADMN Clc1nc(-c2ccc(-c3ccccc3)cc2)nc(N2CC[C@@H]3[C@@H]2CCN3Cc2cccnc2)n1 ZINC001164725372 720385028 /nfs/dbraw/zinc/38/50/28/720385028.db2.gz NAMPENQSGBIJII-RPWUZVMVSA-N 0 1 468.992 5.107 20 0 JKADMN c1nc2n(c1CN1CCCC1)CCN(c1nc(C3CC3)nc3scc(-c4ccccc4)c31)CC2 ZINC001164736122 720587630 /nfs/dbraw/zinc/58/76/30/720587630.db2.gz DFEWWCOCILKZCP-UHFFFAOYSA-N 0 1 470.646 5.091 20 0 JKADMN COc1ccc(-c2nc3ccc(F)cc3c(N3CCn4c(CN(C)C(C)C)cnc4[C@H]3C)n2)cc1 ZINC001164856964 720943012 /nfs/dbraw/zinc/94/30/12/720943012.db2.gz DAYLQHAPHVDOOX-GOSISDBHSA-N 0 1 474.584 5.062 20 0 JKADMN CC(C)N(C)Cc1cnc2n1CCN(C(F)(F)c1ccc3nc(Cl)c(Cl)nc3c1)[C@H]2C ZINC001164857599 720966985 /nfs/dbraw/zinc/96/69/85/720966985.db2.gz GMCUWEQFQCNMSH-ZDUSSCGKSA-N 0 1 469.367 5.099 20 0 JKADMN CC(C)N(C)Cc1cnc2n1CCN(C(F)(F)c1cccc3c(Cl)nc(Cl)nc31)[C@@H]2C ZINC001164858942 720970398 /nfs/dbraw/zinc/97/03/98/720970398.db2.gz JMRZOCWUZUFRDT-CYBMUJFWSA-N 0 1 469.367 5.099 20 0 JKADMN Cc1ccc2nc(-c3ccccc3F)nc(N3CCn4c(CN(C)C(C)C)cnc4[C@@H]3C)c2c1 ZINC001164858929 720974631 /nfs/dbraw/zinc/97/46/31/720974631.db2.gz JJOVXRPTGRJJAZ-IBGZPJMESA-N 0 1 458.585 5.362 20 0 JKADMN CC(C)N(C)Cc1cnc2n1CCN(c1cc(-c3ccc(Cl)nc3)ccc1C1OCCCO1)[C@H]2C ZINC001164856215 720989704 /nfs/dbraw/zinc/98/97/04/720989704.db2.gz ACAIHGGIFNCNQW-IBGZPJMESA-N 0 1 496.055 5.455 20 0 JKADMN CC(C)N(C)Cc1cnc2n1CCN(C(F)(F)c1cc(Cl)c(Cl)nc1Cl)[C@@H]2C ZINC001164862447 720996022 /nfs/dbraw/zinc/99/60/22/720996022.db2.gz SOJOINGUNIVKIY-LLVKDONJSA-N 0 1 452.764 5.205 20 0 JKADMN CC(C)N(C)Cc1cnc2n1CCN(c1ncnc3scc(-c4ccc(F)cc4)c31)[C@@H]2C ZINC001164858879 720999378 /nfs/dbraw/zinc/99/93/78/720999378.db2.gz IUPGAPGGKRWACV-MRXNPFEDSA-N 0 1 450.587 5.115 20 0 JKADMN CC(C)N(C)Cc1cnc2n1CCN(c1nc(C3CC3)nc3scc(-c4ccccc4)c31)[C@@H]2C ZINC001164863192 721010123 /nfs/dbraw/zinc/01/01/23/721010123.db2.gz UJAXDPLIGBHGCN-GOSISDBHSA-N 0 1 472.662 5.854 20 0 JKADMN CC(C)N(C)Cc1cnc2n1CCN(c1cc(-c3ccccc3)nc(-c3cccs3)n1)[C@@H]2C ZINC001164862534 721010710 /nfs/dbraw/zinc/01/07/10/721010710.db2.gz QRTBCBZEBCCZQX-LJQANCHMSA-N 0 1 458.635 5.490 20 0 JKADMN CC(C)N(C)Cc1cnc2n1CCN(C(F)(F)c1ccc(OCc3ccc(Cl)nc3)cc1)[C@H]2C ZINC001164862328 721010998 /nfs/dbraw/zinc/01/09/98/721010998.db2.gz PYOXNRIKOHAMLA-SFHVURJKSA-N 0 1 489.998 5.477 20 0 JKADMN CC(C)N(C)Cc1cnc2n1CCN(c1ccc(-c3ccc(Oc4ccccc4)cc3)nn1)[C@H]2C ZINC001164856766 721014433 /nfs/dbraw/zinc/01/44/33/721014433.db2.gz BVDOUGFDHFLYGD-NRFANRHFSA-N 0 1 468.605 5.554 20 0 JKADMN CC(C)N(C)Cc1cnc2n1CCN(c1cnc(Cl)nc1Oc1cccc(Cl)c1)[C@H]2C ZINC001164864351 721018678 /nfs/dbraw/zinc/01/86/78/721018678.db2.gz XIIOQXBRWLJMLF-HNNXBMFYSA-N 0 1 461.397 5.194 20 0 JKADMN CCc1ccccc1Oc1nc(Cl)ncc1N1CCn2c(CN(C)C(C)C)cnc2[C@@H]1C ZINC001164861429 721020160 /nfs/dbraw/zinc/02/01/60/721020160.db2.gz OODSLHKOUJCNRL-KRWDZBQOSA-N 0 1 455.006 5.103 20 0 JKADMN Cc1ccc(-c2cc(C(F)(F)N3CCn4c(CN(C)C(C)C)cnc4[C@@H]3C)c(Cl)nn2)cc1 ZINC001164864448 721021472 /nfs/dbraw/zinc/02/14/72/721021472.db2.gz XPVIDNHYMOFPGM-KRWDZBQOSA-N 0 1 474.987 5.268 20 0 JKADMN Cc1cccc(-c2cc(C(F)(F)N3CCn4c(CN(C)C(C)C)cnc4[C@@H]3C)c(Cl)nn2)c1 ZINC001164862920 721022146 /nfs/dbraw/zinc/02/21/46/721022146.db2.gz RRSKYROLQRLQGR-KRWDZBQOSA-N 0 1 474.987 5.268 20 0 JKADMN Cc1cccc(-c2cc(C(F)(F)N3CCN4C[C@H](OCc5cccnc5)C[C@@H]4C3)cnc2Cl)c1 ZINC001164868887 721194700 /nfs/dbraw/zinc/19/47/00/721194700.db2.gz OYZLCVLTONRCMJ-DHIUTWEWSA-N 0 1 484.978 5.130 20 0 JKADMN Cc1cccc(-c2cc(C(F)(F)N3CCN4C[C@@H](OCc5cccnc5)C[C@H]4C3)cnc2Cl)c1 ZINC001164868904 721195051 /nfs/dbraw/zinc/19/50/51/721195051.db2.gz OYZLCVLTONRCMJ-GOTSBHOMSA-N 0 1 484.978 5.130 20 0 JKADMN Cc1noc(C)c1CN1CCOC[C@]2(CCCN(c3ncnc4scc(-c5ccccc5)c43)C2)C1 ZINC001164779082 721341837 /nfs/dbraw/zinc/34/18/37/721341837.db2.gz QJFJXTZNXRTCSN-HHHXNRCGSA-N 0 1 489.645 5.082 20 0 JKADMN Cc1noc(C)c1CN1CCOC[C@]2(CCCN(c3nc(-c4ccccc4)nc4ccccc43)C2)C1 ZINC001164776784 721346009 /nfs/dbraw/zinc/34/60/09/721346009.db2.gz CTOHZRCYQSUTNR-GDLZYMKVSA-N 0 1 483.616 5.021 20 0 JKADMN CN1CCN(C[C@@H]2CCC[C@@]3(CCN(C(F)(F)c4cnc(Cl)c(C5CCCCC5)c4)C3)O2)CC1 ZINC001164892790 721453047 /nfs/dbraw/zinc/45/30/47/721453047.db2.gz YGQUMTYQXVWEMS-DHLKQENFSA-N 0 1 497.074 5.093 20 0 JKADMN FC(F)(c1ccc(Cl)nc1Cl)N1CCC(F)(F)[C@@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164905512 721585460 /nfs/dbraw/zinc/58/54/60/721585460.db2.gz JQJQEPBOWHKVOI-GOSISDBHSA-N 0 1 463.306 5.066 20 0 JKADMN Cc1cncc(COC[C@@]23CCC[C@@H]2CN(c2ccc4c(n2)CCN(Cc2ccccc2)C4)C3)c1 ZINC001164800267 721600880 /nfs/dbraw/zinc/60/08/80/721600880.db2.gz KUZDWRJMRKNEDR-OFSOJUDTSA-N 0 1 468.645 5.167 20 0 JKADMN FC(F)(c1nc2ccsc2c(Cl)n1)N1CCC(F)(F)[C@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164906977 721693093 /nfs/dbraw/zinc/69/30/93/721693093.db2.gz PWCASKKFFVEVGM-IBGZPJMESA-N 0 1 485.938 5.022 20 0 JKADMN COCCN(C)c1nc(C2CCN(C(C)(C)c3ccnc(Cl)c3)CC2)cc2c1ncn2C(C)C ZINC001165009850 721693211 /nfs/dbraw/zinc/69/32/11/721693211.db2.gz RDCBXUNCHPMLFR-UHFFFAOYSA-N 0 1 485.076 5.258 20 0 JKADMN FC1(F)CCN(c2c(Cl)nc(Cl)c(Cl)c2Cl)C[C@@]12CCN(Cc1ccccn1)C2 ZINC001164905474 721695532 /nfs/dbraw/zinc/69/55/32/721695532.db2.gz JNBMGIUVWOBDHK-SFHVURJKSA-N 0 1 482.189 5.828 20 0 JKADMN FC1(F)CCN(c2nc(-c3ccccc3)cc(-c3ccccc3)n2)C[C@@]12CCN(Cc1ccccn1)C2 ZINC001164904780 721695613 /nfs/dbraw/zinc/69/56/13/721695613.db2.gz GJHYRALJVBXVTC-LJAQVGFWSA-N 0 1 497.593 5.943 20 0 JKADMN FC1(F)CCN(c2nc3cc(Cl)c(Cl)cc3nc2Cl)C[C@@]12CCN(Cc1ccccn1)C2 ZINC001164904106 721695637 /nfs/dbraw/zinc/69/56/37/721695637.db2.gz DCSNFEHKVOKBKV-NRFANRHFSA-N 0 1 498.792 5.723 20 0 JKADMN FC1(F)CCN(c2nc(-c3ccccc3)nc(-c3ccccc3)n2)C[C@@]12CCN(Cc1ccccn1)C2 ZINC001164906688 721701531 /nfs/dbraw/zinc/70/15/31/721701531.db2.gz ONYKXLMIVRDANP-NDEPHWFRSA-N 0 1 498.581 5.338 20 0 JKADMN Fc1ccc2nc(C(F)(F)N3CCC(F)(F)[C@@]4(CCN(Cc5ccccn5)C4)C3)nc(Cl)c2c1 ZINC001164903721 721702692 /nfs/dbraw/zinc/70/26/92/721702692.db2.gz BVFXGLPDHQIOOP-OAQYLSRUSA-N 0 1 497.899 5.100 20 0 JKADMN CSc1ccc(Oc2cc(N3CCC(F)(F)[C@@]4(CCN(Cc5ccccn5)C4)C3)ncn2)cc1 ZINC001164908216 721718275 /nfs/dbraw/zinc/71/82/75/721718275.db2.gz WKZUQGQZBXBRAE-XMMPIXPASA-N 0 1 483.588 5.124 20 0 JKADMN Cc1cccc(Sc2cncc(N3CCC(F)(F)[C@]4(CCN(Cc5ccccn5)C4)C3)n2)c1 ZINC001164906251 721718856 /nfs/dbraw/zinc/71/88/56/721718856.db2.gz LTPWTRMHTYUEKF-DEOSSOPVSA-N 0 1 467.589 5.069 20 0 JKADMN C[C@@H]1CCCCN1c1nc2ccccc2nc1N1CCC(F)(F)[C@@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164908628 721724695 /nfs/dbraw/zinc/72/46/95/721724695.db2.gz YINVIHUSYXNMJH-JIPXPUAJSA-N 0 1 492.618 5.141 20 0 JKADMN FC1(F)CCN(c2ccc(-c3cccc4ccccc43)nn2)C[C@]12CCN(Cc1ccccn1)C2 ZINC001164912575 721730863 /nfs/dbraw/zinc/73/08/63/721730863.db2.gz NXMUIMZBVFWIRF-HHHXNRCGSA-N 0 1 471.555 5.430 20 0 JKADMN FC1(F)CCN(c2nc3c(Cl)cccc3nc2Cl)C[C@@]12CCN(Cc1ccccn1)C2 ZINC001164911839 721734423 /nfs/dbraw/zinc/73/44/23/721734423.db2.gz KXDQIAITMMJNCP-NRFANRHFSA-N 0 1 464.347 5.069 20 0 JKADMN FC(F)(Sc1ccc(Cl)nc1)N1CCC(F)(F)[C@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164913929 721737582 /nfs/dbraw/zinc/73/75/82/721737582.db2.gz ZMLWCMFFSKCXNQ-SFHVURJKSA-N 0 1 460.928 5.006 20 0 JKADMN FC(F)(c1cnc(Cl)c(C2CC2)c1)N1CCC(F)(F)[C@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164910520 721738079 /nfs/dbraw/zinc/73/80/79/721738079.db2.gz FQMNDUDFLOOQCW-NRFANRHFSA-N 0 1 468.926 5.290 20 0 JKADMN FC(F)(c1nc(Cl)c2cc(Cl)ccc2n1)N1CC(c2ncn3cc(-c4ccoc4)ccc23)C1 ZINC001165015379 721766641 /nfs/dbraw/zinc/76/66/41/721766641.db2.gz PIGMRTHLMHQLFS-UHFFFAOYSA-N 0 1 486.309 5.993 20 0 JKADMN FC(F)(c1cc(-c2ccccc2)nnc1Cl)N1CC(c2ncn3cc(-c4ccoc4)ccc23)C1 ZINC001165015188 721767890 /nfs/dbraw/zinc/76/78/90/721767890.db2.gz NMLINOARGSPOMI-UHFFFAOYSA-N 0 1 477.902 5.853 20 0 JKADMN Cc1sc2nc(CN3CCCC3)nc(N3CC(c4ncn5cc(-c6ccoc6)ccc45)C3)c2c1C ZINC001165016290 721768352 /nfs/dbraw/zinc/76/83/52/721768352.db2.gz VRUINPYWMDEKAV-UHFFFAOYSA-N 0 1 484.629 5.415 20 0 JKADMN Cc1ccc(CN2CCOC3(CCN(C(F)(F)c4nc(Cl)c5cccc(F)c5n4)CC3)C2)cc1 ZINC001164940420 721923450 /nfs/dbraw/zinc/92/34/50/721923450.db2.gz PZMFOBFZJRSEHE-UHFFFAOYSA-N 0 1 490.957 5.147 20 0 JKADMN Cc1ccc(CN2CCOC3(CCN(C(F)(F)c4ccc(Cl)c(Cl)n4)CC3)C2)cc1 ZINC001164939768 721925940 /nfs/dbraw/zinc/92/59/40/721925940.db2.gz MWNIDZWQAHLMIW-UHFFFAOYSA-N 0 1 456.364 5.113 20 0 JKADMN Cc1ccc(-c2nc3ccccc3c(N3CCC4(CC3)COCCN(Cc3ccncc3)C4)n2)cc1 ZINC001164962176 722057642 /nfs/dbraw/zinc/05/76/42/722057642.db2.gz AOLWZGYCLSPSLL-UHFFFAOYSA-N 0 1 479.628 5.119 20 0 JKADMN Clc1ccc(-c2cc3ncnc(N4CC[C@H]5CN(Cc6cccnc6)CCO[C@@H]5C4)c3s2)cc1 ZINC001164974392 722140750 /nfs/dbraw/zinc/14/07/50/722140750.db2.gz DPCBPDNPNMHVBH-NZQKXSOJSA-N 0 1 492.048 5.134 20 0 JKADMN Fc1cccc(CN2CC[C@]23CCCN(c2cc(F)ccc2Oc2ccc(Cl)nn2)C3)c1 ZINC001164996702 722207616 /nfs/dbraw/zinc/20/76/16/722207616.db2.gz VULQVOLMDGAUIH-DEOSSOPVSA-N 0 1 456.924 5.445 20 0 JKADMN CC(C)(c1ccnc(Cl)c1)N1CCC(O[C@@H](c2ccc(Cl)cc2)c2ccccn2)CC1 ZINC001164622459 719131234 /nfs/dbraw/zinc/13/12/34/719131234.db2.gz OVXNCUSNKXTLJR-DEOSSOPVSA-N 0 1 456.417 6.289 20 0 JKADMN Cc1nc(CN2CCCC23CCN(c2ccc4ccn(C(=O)c5ccccc5)c4n2)CC3)cs1 ZINC001164691624 719812661 /nfs/dbraw/zinc/81/26/61/719812661.db2.gz IROXJGQKHBYLEN-UHFFFAOYSA-N 0 1 471.630 5.125 20 0 JKADMN 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FC(F)(c1cnc(Cl)c(C2CC2)c1)N1CCC2(CC1)CN(Cc1cccs1)CCO2 ZINC001164707082 719910552 /nfs/dbraw/zinc/91/05/52/719910552.db2.gz NDUWEHCVPBQHPJ-UHFFFAOYSA-N 0 1 453.986 5.090 20 0 JKADMN FC(F)(c1ccccc1-c1nc(Cl)c2ccccc2n1)N1CC[C@@H]2[C@H]1CCN2Cc1cccnc1 ZINC001164725205 720485041 /nfs/dbraw/zinc/48/50/41/720485041.db2.gz IRNFTGAHWDZSLW-DNQXCXABSA-N 0 1 491.973 5.743 20 0 JKADMN FC(F)(c1ccccc1-c1nc(Cl)c2ccccc2n1)N1CC[C@H]2[C@H]1CCN2Cc1cccnc1 ZINC001164725196 720485478 /nfs/dbraw/zinc/48/54/78/720485478.db2.gz IRNFTGAHWDZSLW-BJKOFHAPSA-N 0 1 491.973 5.743 20 0 JKADMN FC(F)(c1cnc(Cl)c(-c2ccc(Cl)cc2)c1)N1CCc2ncc(CN3CCCC3)n2CC1 ZINC001164742427 720596038 /nfs/dbraw/zinc/59/60/38/720596038.db2.gz NFNFUNAMCLQPSV-UHFFFAOYSA-N 0 1 492.401 5.455 20 0 JKADMN CC(C)N(C)Cc1cnc2n1CCN(c1nc(-c3ccccc3F)nc3ccc(F)cc31)[C@H]2C ZINC001164861214 720944216 /nfs/dbraw/zinc/94/42/16/720944216.db2.gz SEQIQEUXEYGKJS-KRWDZBQOSA-N 0 1 462.548 5.193 20 0 JKADMN CC(C)N(C)Cc1cnc2n1CCN(c1nc(-c3ccccc3)cc(-c3ccccc3)n1)[C@H]2C 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1 474.987 5.268 20 0 JKADMN CC(C)N(C)Cc1cnc2n1CCN(C(F)(F)c1cc(-c3ccccc3F)nnc1Cl)[C@@H]2C ZINC001164858010 721022803 /nfs/dbraw/zinc/02/28/03/721022803.db2.gz FDCVUKNQSJJDHA-OAHLLOKOSA-N 0 1 478.950 5.099 20 0 JKADMN CC(C)N(C)Cc1cnc2n1CCN(C(F)(F)c1cc(-c3ccc(F)cc3)nnc1Cl)[C@H]2C ZINC001164857284 721023745 /nfs/dbraw/zinc/02/37/45/721023745.db2.gz CGGMQRVKKVRHRB-HNNXBMFYSA-N 0 1 478.950 5.099 20 0 JKADMN COc1cccc(-c2cc(C(F)(F)N3CCn4c(CN(C)C(C)C)cnc4[C@H]3C)cnc2Cl)c1 ZINC001164864267 721023847 /nfs/dbraw/zinc/02/38/47/721023847.db2.gz WWCLDVREAQPQCB-QGZVFWFLSA-N 0 1 489.998 5.573 20 0 JKADMN CC(C)N(C)Cc1cnc2n1CCN(C(F)(F)c1cc(-c3ccc(F)cc3)nnc1Cl)[C@@H]2C ZINC001164857285 721024342 /nfs/dbraw/zinc/02/43/42/721024342.db2.gz CGGMQRVKKVRHRB-OAHLLOKOSA-N 0 1 478.950 5.099 20 0 JKADMN Cc1cccc(-c2cc(C(F)(F)N3CCN4C[C@H](OCc5cccnc5)C[C@H]4C3)cnc2Cl)c1 ZINC001164868912 721195632 /nfs/dbraw/zinc/19/56/32/721195632.db2.gz OYZLCVLTONRCMJ-XZOQPEGZSA-N 0 1 484.978 5.130 20 0 JKADMN Cc1noc(C)c1CN1CCOC[C@]2(CCCN(c3cc(Cl)nc4cc(Cl)ccc43)C2)C1 ZINC001164777746 721343851 /nfs/dbraw/zinc/34/38/51/721343851.db2.gz HRLPPNDVRQXJES-XMMPIXPASA-N 0 1 475.420 5.265 20 0 JKADMN FC(F)(c1ccnc(Cl)c1Cl)N1CCC(F)(F)[C@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164905564 721586052 /nfs/dbraw/zinc/58/60/52/721586052.db2.gz JXHRZBFUJVUDTF-SFHVURJKSA-N 0 1 463.306 5.066 20 0 JKADMN FC(F)(c1cc(Cl)cnc1Cl)N1CCC(F)(F)[C@@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164907109 721586252 /nfs/dbraw/zinc/58/62/52/721586252.db2.gz SCWMVJLPOOGKOI-GOSISDBHSA-N 0 1 463.306 5.066 20 0 JKADMN CC(C)NC(=O)C[C@@H]1CC2(CCN(C(C)(C)c3ccnc(Cl)c3)CC2)Oc2ccccc21 ZINC001164796912 721593488 /nfs/dbraw/zinc/59/34/88/721593488.db2.gz DQZXUOOYQMLMLV-LJQANCHMSA-N 0 1 456.030 5.286 20 0 JKADMN FC1(F)CCN(c2nc3cc(Cl)c(Cl)cc3nc2Cl)C[C@]12CCN(Cc1ccccn1)C2 ZINC001164904112 721695816 /nfs/dbraw/zinc/69/58/16/721695816.db2.gz DCSNFEHKVOKBKV-OAQYLSRUSA-N 0 1 498.792 5.723 20 0 JKADMN FC1(F)CCN(c2c(Cl)nc(Cl)c(Cl)c2Cl)C[C@]12CCN(Cc1ccccn1)C2 ZINC001164905470 721696130 /nfs/dbraw/zinc/69/61/30/721696130.db2.gz JNBMGIUVWOBDHK-GOSISDBHSA-N 0 1 482.189 5.828 20 0 JKADMN FC(F)(c1ccc2ccc(Cl)nc2c1)N1CCC(F)(F)[C@@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164906672 721699072 /nfs/dbraw/zinc/69/90/72/721699072.db2.gz OKFHRCZMFVUHKC-JOCHJYFZSA-N 0 1 478.921 5.566 20 0 JKADMN FC1(F)CCN(c2nc(-c3ccccc3)nc(-c3ccccc3)n2)C[C@]12CCN(Cc1ccccn1)C2 ZINC001164906686 721701076 /nfs/dbraw/zinc/70/10/76/721701076.db2.gz ONYKXLMIVRDANP-MUUNZHRXSA-N 0 1 498.581 5.338 20 0 JKADMN FC1(F)CCN(c2cnc(-c3ccccc3)c(-c3ccccc3)n2)C[C@]12CCN(Cc1ccccn1)C2 ZINC001164907962 721701864 /nfs/dbraw/zinc/70/18/64/721701864.db2.gz XFNNIKOHGAYRFD-GDLZYMKVSA-N 0 1 497.593 5.943 20 0 JKADMN Fc1ccc2nc(C(F)(F)N3CCC(F)(F)[C@]4(CCN(Cc5ccccn5)C4)C3)nc(Cl)c2c1 ZINC001164903720 721702446 /nfs/dbraw/zinc/70/24/46/721702446.db2.gz BVFXGLPDHQIOOP-NRFANRHFSA-N 0 1 497.899 5.100 20 0 JKADMN Fc1ccc(Oc2nc(Cl)ncc2N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)cc1 ZINC001164909089 721726168 /nfs/dbraw/zinc/72/61/68/721726168.db2.gz AYWIGYKSAVOXQC-QHCPKHFHSA-N 0 1 489.929 5.194 20 0 JKADMN Cc1ccccc1Oc1nc(Cl)ncc1N1CCC(F)(F)[C@@]2(CCN(Cc3ccccn3)C2)C1 ZINC001164913126 721735937 /nfs/dbraw/zinc/73/59/37/721735937.db2.gz UBKPBCWCUQTJLD-XMMPIXPASA-N 0 1 485.966 5.363 20 0 JKADMN Cc1cccc(Oc2nc(Cl)ncc2N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)c1 ZINC001164912932 721736288 /nfs/dbraw/zinc/73/62/88/721736288.db2.gz RHCDERMOOWDSKW-XMMPIXPASA-N 0 1 485.966 5.363 20 0 JKADMN FC(F)(c1cccc2c(Cl)nc(Cl)nc21)N1CC(c2ncn3cc(-c4ccoc4)ccc23)C1 ZINC001165016489 721767521 /nfs/dbraw/zinc/76/75/21/721767521.db2.gz XDWNXDWODIXLTM-UHFFFAOYSA-N 0 1 486.309 5.993 20 0 JKADMN FC(F)(F)c1nc(Cl)ccc1C(F)(F)N1CC(c2ncn3cc(-c4ccoc4)ccc23)C1 ZINC001165015541 721768069 /nfs/dbraw/zinc/76/80/69/721768069.db2.gz QRFVHSAVXOQZDH-UHFFFAOYSA-N 0 1 468.813 5.810 20 0 JKADMN COc1cccc(OC)c1CN1CCC(N(C)c2cc(F)ccc2-c2ccc(Cl)nn2)CC1 ZINC001165022686 721844332 /nfs/dbraw/zinc/84/43/32/721844332.db2.gz SCRPRJHLKYDVEV-UHFFFAOYSA-N 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Cc1nc(CN2CCCC23CCN(c2nccc(SCc4ccccc4)n2)CC3)cs1 ZINC001164692202 719815996 /nfs/dbraw/zinc/81/59/96/719815996.db2.gz OCJXKXFOUZRTTC-UHFFFAOYSA-N 0 1 451.665 5.169 20 0 JKADMN Cc1nc(CN2CCCC23CCN(c2cnc(Cl)nc2Oc2cccc(C)c2)CC3)cs1 ZINC001164701943 719816292 /nfs/dbraw/zinc/81/62/92/719816292.db2.gz PWKIQUBVOHUOOP-UHFFFAOYSA-N 0 1 470.042 5.631 20 0 JKADMN Cc1nc(CN2CCCC23CCN(c2cnc(Cl)nc2Oc2ccc(Cl)cc2)CC3)cs1 ZINC001164700237 719816465 /nfs/dbraw/zinc/81/64/65/719816465.db2.gz KEXZPBTXGOQXGI-UHFFFAOYSA-N 0 1 490.460 5.976 20 0 JKADMN COc1ccccc1Oc1nc(Cl)ncc1N1CCC2(CCCN2Cc2csc(C)n2)CC1 ZINC001164699094 719816470 /nfs/dbraw/zinc/81/64/70/719816470.db2.gz GJSNKSNBPZWGLI-UHFFFAOYSA-N 0 1 486.041 5.331 20 0 JKADMN FC(F)(c1cc(-c2cccs2)nnc1Cl)N1CCC2(CC1)CN(Cc1cccs1)CCO2 ZINC001164707281 719898718 /nfs/dbraw/zinc/89/87/18/719898718.db2.gz OCDFFVLEZUPHGC-UHFFFAOYSA-N 0 1 497.036 5.336 20 0 JKADMN Fc1ccc(-c2nnc(N3CCC4(CC3)CN(Cc3cccs3)CCO4)c3ccccc32)cc1 ZINC001164705409 719898913 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