smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1nc(CN2CCCC23CCN(c2cc(-c4ccccc4)cc(Cl)n2)CC3)cs1 ZINC001164694472 719808337 /nfs/dbraw/zinc/80/83/37/719808337.db2.gz YOSCTVBTTOREDD-UHFFFAOYSA-N 0 1 439.028 5.802 20 0 IKADMN Cc1nc(CN2CCCC23CCN(c2cc(C(C)(C)C)nc(C(C)C)n2)CC3)cs1 ZINC001164693663 719815314 /nfs/dbraw/zinc/81/53/14/719815314.db2.gz YENGJJICHFWEIS-UHFFFAOYSA-N 0 1 427.662 5.297 20 0 IKADMN Cc1nc(CN2CCCC23CCN(c2nc(Cl)cc4cccc(F)c42)CC3)cs1 ZINC001164704502 719817342 /nfs/dbraw/zinc/81/73/42/719817342.db2.gz YSZBMUFKFFINTL-UHFFFAOYSA-N 0 1 430.980 5.427 20 0 IKADMN Clc1ccc(-c2cc3ncnc(N4CC[C@@H]5[C@H]4CCN5Cc4cccnc4)c3s2)cc1 ZINC001164735058 720438973 /nfs/dbraw/zinc/43/89/73/720438973.db2.gz VKXMTJYSJFQXLK-NHCUHLMSSA-N 0 1 447.995 5.260 20 0 IKADMN CC(C)N(C)Cc1cnc2n1CCN(C(F)(F)c1cccc3c(Cl)nccc31)[C@@H]2C ZINC001164863404 720986865 /nfs/dbraw/zinc/98/68/65/720986865.db2.gz UZCZQGURTUCAEJ-OAHLLOKOSA-N 0 1 433.934 5.051 20 0 IKADMN CC(C)N(C)Cc1cnc2n1CCN(c1cc(-c3ccccc3)c3ccccc3n1)[C@H]2C ZINC001164861248 720998810 /nfs/dbraw/zinc/99/88/10/720998810.db2.gz PVTPBRBNKWJSSX-FQEVSTJZSA-N 0 1 425.580 5.520 20 0 IKADMN CC(C)N(C)Cc1cnc2n1CCN(c1nc(-c3ccc(F)cc3)nc3ccccc31)[C@@H]2C ZINC001164863455 721003209 /nfs/dbraw/zinc/00/32/09/721003209.db2.gz VQTBGIUDQVGZIJ-GOSISDBHSA-N 0 1 444.558 5.054 20 0 IKADMN Cc1nc(-c2ccccc2Cl)nc(N2CCn3c(CN(C)C(C)C)cnc3[C@H]2C)c1C ZINC001164863671 721012768 /nfs/dbraw/zinc/01/27/68/721012768.db2.gz UPHPDDZXVYNQPK-GOSISDBHSA-N 0 1 439.007 5.032 20 0 IKADMN FC(F)(c1cnc(Cl)cc1Cl)N1CC(c2ncn3cc(-c4ccoc4)ccc23)C1 ZINC001165016936 721766501 /nfs/dbraw/zinc/76/65/01/721766501.db2.gz YWRQNHYKCZKLNK-UHFFFAOYSA-N 0 1 435.261 5.445 20 0 IKADMN FC(F)(c1cc2cc[nH]c2c(Cl)n1)N1CC(c2ncn3cc(-c4ccoc4)ccc23)C1 ZINC001165014820 721767719 /nfs/dbraw/zinc/76/77/19/721767719.db2.gz JSPKNMBKYNZQGX-UHFFFAOYSA-N 0 1 439.853 5.273 20 0 IKADMN FC(F)(N1CC(c2ncn3cc(-c4ccoc4)ccc23)C1)C1(c2ccc(Cl)nc2)CC1 ZINC001165015214 721768162 /nfs/dbraw/zinc/76/81/62/721768162.db2.gz OBSDWBBZTGKHNR-UHFFFAOYSA-N 0 1 440.881 5.367 20 0 IKADMN c1csc(CN2C[C@H]3CC[C@@H](C2)N3c2ccc(-c3ccc(C4OCCCO4)cc3)cn2)c1 ZINC001164937219 721913476 /nfs/dbraw/zinc/91/34/76/721913476.db2.gz JTDPTUKYRHZUQE-ZRZAMGCNSA-N 0 1 447.604 5.099 20 0 IKADMN COc1ccccc1CNCc1cc(Br)c(OCc2ccccc2)c(OC)c1 ZINC000013720273 556289305 /nfs/dbraw/zinc/28/93/05/556289305.db2.gz ISWOMUOCGGDMLK-UHFFFAOYSA-N 0 1 442.353 5.335 20 0 IKADMN CCN1CCn2c(-c3ccccc3)cnc2C12CCN(c1nc(C)cc3ccccc31)CC2 ZINC001164658034 719352550 /nfs/dbraw/zinc/35/25/50/719352550.db2.gz BRAYHTKQQCMSTN-UHFFFAOYSA-N 0 1 437.591 5.238 20 0 IKADMN Cc1nc(CN2CCCC23CCN(c2nc(Cl)nc4c(Cl)cccc42)CC3)cs1 ZINC001164692604 719808031 /nfs/dbraw/zinc/80/80/31/719808031.db2.gz KURDOKOOXVOVPH-UHFFFAOYSA-N 0 1 448.423 5.337 20 0 IKADMN Cc1nc(CN2CCCC23CCN(c2nc(C)nc4c5ccccc5oc42)CC3)cs1 ZINC001164691271 719811407 /nfs/dbraw/zinc/81/14/07/719811407.db2.gz CMIFYPGXXXYBHN-UHFFFAOYSA-N 0 1 433.581 5.084 20 0 IKADMN Cc1nc(CN2CCCC23CCN(c2cc(C)c4cccc(Cl)c4n2)CC3)cs1 ZINC001164691286 719811998 /nfs/dbraw/zinc/81/19/98/719811998.db2.gz DLMXZAOKSNEAJB-UHFFFAOYSA-N 0 1 427.017 5.597 20 0 IKADMN Cc1nc(CN2CCCC23CCN(c2ncc(Cl)nc2-c2ccccc2)CC3)cs1 ZINC001164691303 719814478 /nfs/dbraw/zinc/81/44/78/719814478.db2.gz FGEAELVXYDMAFK-UHFFFAOYSA-N 0 1 440.016 5.197 20 0 IKADMN CC[C@@H](C)c1nc(Cl)c(C)c(N2CCC3(CCCN3Cc3csc(C)n3)CC2)n1 ZINC001164704514 719816096 /nfs/dbraw/zinc/81/60/96/719816096.db2.gz YYYRCJHKGKYACO-OAHLLOKOSA-N 0 1 434.053 5.352 20 0 IKADMN Cc1cc(N2CCC3(CC2)CN(Cc2cccs2)CCO3)nc2c(Cl)cccc12 ZINC001164696200 719896520 /nfs/dbraw/zinc/89/65/20/719896520.db2.gz BRMNOGGOKNKWSI-UHFFFAOYSA-N 0 1 428.001 5.130 20 0 IKADMN Clc1ccc(-c2cc3ncnc(N4CC[C@H]5[C@@H]4CCN5Cc4cccnc4)c3s2)cc1 ZINC001164735060 720438869 /nfs/dbraw/zinc/43/88/69/720438869.db2.gz VKXMTJYSJFQXLK-SFTDATJTSA-N 0 1 447.995 5.260 20 0 IKADMN Cc1ccc(-c2csc3ncnc(N4CCn5c(CN(C)C(C)C)cnc5[C@H]4C)c23)cc1 ZINC001164857022 720952013 /nfs/dbraw/zinc/95/20/13/720952013.db2.gz FJMHKETYQRYYNE-GOSISDBHSA-N 0 1 446.624 5.285 20 0 IKADMN CC(C)N(C)Cc1cnc2n1CCN(C(F)(F)c1cc3ccccc3nc1Cl)[C@@H]2C ZINC001164858054 720978758 /nfs/dbraw/zinc/97/87/58/720978758.db2.gz GPICKHPCJUZNBJ-OAHLLOKOSA-N 0 1 433.934 5.051 20 0 IKADMN Cc1ccc(-c2nnc(N3CCn4c(CN(C)C(C)C)cnc4[C@H]3C)c3ccccc32)cc1 ZINC001164859851 720998643 /nfs/dbraw/zinc/99/86/43/720998643.db2.gz MSLVREGUBCPINE-HXUWFJFHSA-N 0 1 440.595 5.223 20 0 IKADMN CC(C)N(C)Cc1cnc2n1CCN(c1cc(-c3ccccc3)c3ccccc3n1)[C@@H]2C ZINC001164861278 721000258 /nfs/dbraw/zinc/00/02/58/721000258.db2.gz PVTPBRBNKWJSSX-HXUWFJFHSA-N 0 1 425.580 5.520 20 0 IKADMN CC(C)N(C)Cc1cnc2n1CCN(C(F)(F)c1ccc3c(Cl)nccc3c1)[C@@H]2C ZINC001164857963 721011544 /nfs/dbraw/zinc/01/15/44/721011544.db2.gz DQQYTAGPHRKUCA-OAHLLOKOSA-N 0 1 433.934 5.051 20 0 IKADMN FC1(F)CCN(c2c(Cl)ncc(Cl)c2Cl)C[C@]12CCN(Cc1ccccn1)C2 ZINC001164904914 721706782 /nfs/dbraw/zinc/70/67/82/721706782.db2.gz FNBNGQANGYJWGC-GOSISDBHSA-N 0 1 447.744 5.175 20 0 IKADMN CC[C@@H](C)c1nc(Cl)c(C)c(N2CCC(F)(F)[C@@]3(CCN(Cc4ccccn4)C3)C2)n1 ZINC001164912657 721734501 /nfs/dbraw/zinc/73/45/01/721734501.db2.gz PDFLBBJUZKVBNY-OPAMFIHVSA-N 0 1 449.977 5.085 20 0 IKADMN FC(F)(c1c[nH]c2nc(Cl)ccc12)N1CC(c2ncn3cc(-c4ccoc4)ccc23)C1 ZINC001165015136 721767314 /nfs/dbraw/zinc/76/73/14/721767314.db2.gz MGTVCWMURFYMPB-UHFFFAOYSA-N 0 1 439.853 5.273 20 0 IKADMN Fc1cccc(CN2CC[C@]23CCCN(c2cc(-c4ccc(Cl)nn4)ccc2F)C3)c1 ZINC001164997279 722209739 /nfs/dbraw/zinc/20/97/39/722209739.db2.gz YHGREDGOOALYSL-DEOSSOPVSA-N 0 1 440.925 5.320 20 0 IKADMN Cc1nc(CN2CCCC23CCN(c2ccc(-c4ccc(Cl)cc4)nn2)CC3)cs1 ZINC001164691029 719804623 /nfs/dbraw/zinc/80/46/23/719804623.db2.gz CUQJLDJGUVUOEA-UHFFFAOYSA-N 0 1 440.016 5.197 20 0 IKADMN Cc1nc(CN2CCCC23CCN(c2cc(-c4ccnc(Cl)c4)ccn2)CC3)cs1 ZINC001164692225 719806030 /nfs/dbraw/zinc/80/60/30/719806030.db2.gz LSZCVVVGLCYRIM-UHFFFAOYSA-N 0 1 440.016 5.197 20 0 IKADMN Cc1nc(CN2CCCC23CCN(c2cc(F)cc4ccc(Cl)nc42)CC3)cs1 ZINC001164693992 719808881 /nfs/dbraw/zinc/80/88/81/719808881.db2.gz TTZOSXIVRPLCPX-UHFFFAOYSA-N 0 1 430.980 5.427 20 0 IKADMN Cc1nc(CN2CCCC23CCN(c2nc(Cl)cc4ccc(C)cc42)CC3)cs1 ZINC001164691280 719810978 /nfs/dbraw/zinc/81/09/78/719810978.db2.gz DBSHIDFVPAYPBS-UHFFFAOYSA-N 0 1 427.017 5.597 20 0 IKADMN COc1ccc2c(cc(Cl)nc2N2CCC3(CCCN3Cc3csc(C)n3)CC2)c1 ZINC001164693851 719811061 /nfs/dbraw/zinc/81/10/61/719811061.db2.gz YXZAGAZSFZSXBT-UHFFFAOYSA-N 0 1 443.016 5.297 20 0 IKADMN Cc1csc2c1nc(Cl)cc2N1CCC2(CCCN2Cc2csc(C)n2)CC1 ZINC001164691308 719812088 /nfs/dbraw/zinc/81/20/88/719812088.db2.gz FKYSBCNOQHFSQJ-UHFFFAOYSA-N 0 1 433.046 5.658 20 0 IKADMN Cc1nc(CN2CCCC23CCN(c2ccc(-c4cc(C)ccc4C)nn2)CC3)cs1 ZINC001164691562 719814408 /nfs/dbraw/zinc/81/44/08/719814408.db2.gz HJJIBFXSEASRRC-UHFFFAOYSA-N 0 1 433.625 5.160 20 0 IKADMN Cc1nc(CN2CCCC23CCN(c2nccc4cc(F)c(Cl)cc42)CC3)cs1 ZINC001164693563 719816038 /nfs/dbraw/zinc/81/60/38/719816038.db2.gz WIVGATLBWVJDJA-UHFFFAOYSA-N 0 1 430.980 5.427 20 0 IKADMN COc1cc2cnc(Cl)cc2cc1N1CCC2(CCCN2Cc2csc(C)n2)CC1 ZINC001164698599 719817320 /nfs/dbraw/zinc/81/73/20/719817320.db2.gz FHGYNVJIPYKSFD-UHFFFAOYSA-N 0 1 443.016 5.297 20 0 IKADMN Clc1ccc(-c2cc3ncnc(N4CC[C@@H]5[C@@H]4CCN5Cc4cccnc4)c3s2)cc1 ZINC001164735059 720437861 /nfs/dbraw/zinc/43/78/61/720437861.db2.gz VKXMTJYSJFQXLK-RTWAWAEBSA-N 0 1 447.995 5.260 20 0 IKADMN CC(C)N(C)Cc1cnc2n1CCN(c1ncnc3scc(-c4cccs4)c31)[C@H]2C ZINC001164856992 720941583 /nfs/dbraw/zinc/94/15/83/720941583.db2.gz DRHBDKFWKZNMPI-HNNXBMFYSA-N 0 1 438.626 5.038 20 0 IKADMN CC(C)N(C)Cc1cnc2n1CCN(C(F)(F)c1cc3ccccc3nc1Cl)[C@H]2C ZINC001164858052 720980227 /nfs/dbraw/zinc/98/02/27/720980227.db2.gz GPICKHPCJUZNBJ-HNNXBMFYSA-N 0 1 433.934 5.051 20 0 IKADMN Cc1ccc(-c2nnc(N3CCn4c(CN(C)C(C)C)cnc4[C@@H]3C)c3ccccc32)cc1 ZINC001164859820 721000119 /nfs/dbraw/zinc/00/01/19/721000119.db2.gz MSLVREGUBCPINE-FQEVSTJZSA-N 0 1 440.595 5.223 20 0 IKADMN CC(C)N(C)Cc1cnc2n1CCN(c1nnc(-c3ccc(F)cc3)c3ccccc31)[C@H]2C ZINC001164859736 721002802 /nfs/dbraw/zinc/00/28/02/721002802.db2.gz LWQQPETVDYYVSO-SFHVURJKSA-N 0 1 444.558 5.054 20 0 IKADMN Cc1ccc(-c2nc3ccccc3c(N3CCn4c(CN(C)C(C)C)cnc4[C@H]3C)n2)s1 ZINC001164861028 721009273 /nfs/dbraw/zinc/00/92/73/721009273.db2.gz MXDSDFXOWXSNMD-GOSISDBHSA-N 0 1 446.624 5.285 20 0 IKADMN CC[C@@H](C)c1nc(Cl)c(C)c(N2CCC(F)(F)[C@]3(CCN(Cc4ccccn4)C3)C2)n1 ZINC001164912659 721735119 /nfs/dbraw/zinc/73/51/19/721735119.db2.gz PDFLBBJUZKVBNY-ZHRRBRCNSA-N 0 1 449.977 5.085 20 0 IKADMN CSc1ccc(C(F)(F)N2CC(c3ncn4cc(-c5ccoc5)ccc34)C2)nc1Cl ZINC001165014514 721767784 /nfs/dbraw/zinc/76/77/84/721767784.db2.gz GOMBPHPBFYLWDP-UHFFFAOYSA-N 0 1 446.910 5.513 20 0 IKADMN Cc1ccc2c(c1)C1(CN2C(=O)c2ccco2)CCN(C(C)(C)c2ccnc(Cl)c2)CC1 ZINC001164991254 722189218 /nfs/dbraw/zinc/18/92/18/722189218.db2.gz OTAVWFHUEQLHSW-UHFFFAOYSA-N 0 1 449.982 5.566 20 0 IKADMN Fc1cccc(CN2CC[C@]23CCCN(c2ccnc(CSc4ccccc4)n2)C3)c1 ZINC001164996458 722213047 /nfs/dbraw/zinc/21/30/47/722213047.db2.gz NJNFIYXIOFVUFP-VWLOTQADSA-N 0 1 434.584 5.153 20 0 IKADMN Cc1nc(CN2CCCC23CCN(c2cc4nc(Cl)cnc4cc2Cl)CC3)cs1 ZINC001164691948 719807869 /nfs/dbraw/zinc/80/78/69/719807869.db2.gz BENIICYVUQXZDA-UHFFFAOYSA-N 0 1 448.423 5.337 20 0 IKADMN Cc1nc(CN2CCCC23CCN(c2nc(Cl)nc4cccc(Cl)c42)CC3)cs1 ZINC001164694364 719808416 /nfs/dbraw/zinc/80/84/16/719808416.db2.gz WCSUFMZPAHVNDI-UHFFFAOYSA-N 0 1 448.423 5.337 20 0 IKADMN Cc1nc(CN2CCCC23CCN(c2nc(Cl)nc4cc(Cl)ccc42)CC3)cs1 ZINC001164691950 719808541 /nfs/dbraw/zinc/80/85/41/719808541.db2.gz BHXQBZQQFAAJRA-UHFFFAOYSA-N 0 1 448.423 5.337 20 0 IKADMN Cc1nc(CN2CCCC23CCN(c2cc(Cl)nnc2-c2ccccc2)CC3)cs1 ZINC001164693824 719808963 /nfs/dbraw/zinc/80/89/63/719808963.db2.gz RLUPBSCIVIRVSD-UHFFFAOYSA-N 0 1 440.016 5.197 20 0 IKADMN Cc1nc(CN2CCCC23CCN(c2cccc(-c4cccc(Cl)n4)n2)CC3)cs1 ZINC001164693098 719808987 /nfs/dbraw/zinc/80/89/87/719808987.db2.gz QBFZGSVRFAHAQW-UHFFFAOYSA-N 0 1 440.016 5.197 20 0 IKADMN Cc1nc(CN2CCCC23CCN(c2nc(Cl)ncc2-c2ccccc2)CC3)cs1 ZINC001164691972 719809030 /nfs/dbraw/zinc/80/90/30/719809030.db2.gz CZCNXLRWRKFHGR-UHFFFAOYSA-N 0 1 440.016 5.197 20 0 IKADMN Cc1nc(CN2CCCC23CCN(c2cccc(OCc4ccccc4)n2)CC3)cs1 ZINC001164694028 719811907 /nfs/dbraw/zinc/81/19/07/719811907.db2.gz ZSMBKRVWSPGHFU-UHFFFAOYSA-N 0 1 434.609 5.061 20 0 IKADMN Cc1nc(CN2CCCC23CCN(c2ncnc4cc(Cl)c(Cl)cc42)CC3)cs1 ZINC001164692644 719811989 /nfs/dbraw/zinc/81/19/89/719811989.db2.gz QIZKLSRICDMGCL-UHFFFAOYSA-N 0 1 448.423 5.337 20 0 IKADMN Cc1nc(CN2CCCC23CCN(c2cc(C4CCCCC4)nc(C)n2)CC3)cs1 ZINC001164693833 719812379 /nfs/dbraw/zinc/81/23/79/719812379.db2.gz YWYGMDWYVFCTJV-UHFFFAOYSA-N 0 1 425.646 5.233 20 0 IKADMN Cc1nc(CN2CCCC23CCN(c2c(Cl)nc(Cl)nc2C2CC2)CC3)cs1 ZINC001164702865 719816321 /nfs/dbraw/zinc/81/63/21/719816321.db2.gz TUSVULXQQRNHSC-UHFFFAOYSA-N 0 1 438.428 5.061 20 0 IKADMN Cc1c(Cl)ccc2ccc(N3CCC4(CC3)CN(Cc3cccs3)CCO4)nc21 ZINC001164699085 719896418 /nfs/dbraw/zinc/89/64/18/719896418.db2.gz WYONIKLTDZCVAY-UHFFFAOYSA-N 0 1 428.001 5.130 20 0 IKADMN Cc1cccc2cc(Cl)nc(N3CCC4(CC3)CN(Cc3cccs3)CCO4)c12 ZINC001164707940 719904240 /nfs/dbraw/zinc/90/42/40/719904240.db2.gz ZWEGNKDFNWVITI-UHFFFAOYSA-N 0 1 428.001 5.130 20 0 IKADMN Fc1ccc(F)c2c(N3CCC4(CC3)CN(Cc3cccs3)CCO4)cc(Cl)nc12 ZINC001164707276 719910157 /nfs/dbraw/zinc/91/01/57/719910157.db2.gz NZXFZCBDINCJTB-UHFFFAOYSA-N 0 1 449.954 5.099 20 0 IKADMN Clc1ccc(-c2cc3ncnc(N4CC[C@H]5[C@H]4CCN5Cc4cccnc4)c3s2)cc1 ZINC001164735057 720437708 /nfs/dbraw/zinc/43/77/08/720437708.db2.gz VKXMTJYSJFQXLK-LEWJYISDSA-N 0 1 447.995 5.260 20 0 IKADMN CC(C)N(C)Cc1cnc2n1CCN(c1c(Cl)nc(Cl)c(Cl)c1Cl)[C@H]2C ZINC001164862370 720944319 /nfs/dbraw/zinc/94/43/19/720944319.db2.gz VHBAYOKUSMQSAB-JTQLQIEISA-N 0 1 437.202 5.313 20 0 IKADMN CC(C)N(C)Cc1cnc2n1CCN(C(F)(F)c1ccc3ccc(Cl)nc3c1)[C@@H]2C ZINC001164858355 720952860 /nfs/dbraw/zinc/95/28/60/720952860.db2.gz IRDKKAOPUFFFEN-OAHLLOKOSA-N 0 1 433.934 5.051 20 0 IKADMN CC(C)N(C)Cc1cnc2n1CCN(C(F)(F)c1ccc3ccnc(Cl)c3c1)[C@@H]2C ZINC001164861601 720952914 /nfs/dbraw/zinc/95/29/14/720952914.db2.gz SZVFPSTYUAZUEQ-OAHLLOKOSA-N 0 1 433.934 5.051 20 0 IKADMN CC(C)N(C)Cc1cnc2n1CCN(C(F)(F)c1ccc3ccnc(Cl)c3c1)[C@H]2C ZINC001164861591 720952959 /nfs/dbraw/zinc/95/29/59/720952959.db2.gz SZVFPSTYUAZUEQ-HNNXBMFYSA-N 0 1 433.934 5.051 20 0 IKADMN CC(C)N(C)Cc1cnc2n1CCN(C(F)(F)c1ccc3ccc(Cl)nc3c1)[C@H]2C ZINC001164858348 720953716 /nfs/dbraw/zinc/95/37/16/720953716.db2.gz IRDKKAOPUFFFEN-HNNXBMFYSA-N 0 1 433.934 5.051 20 0 IKADMN CC(C)N(C)Cc1cnc2n1CCN(C(F)(F)c1cccc3c(Cl)nccc31)[C@H]2C ZINC001164863401 720986128 /nfs/dbraw/zinc/98/61/28/720986128.db2.gz UZCZQGURTUCAEJ-HNNXBMFYSA-N 0 1 433.934 5.051 20 0 IKADMN Cc1sc2ncnc(N3CCn4c(CN(C)C(C)C)cnc4[C@@H]3C)c2c1-c1ccccc1 ZINC001164863467 721003309 /nfs/dbraw/zinc/00/33/09/721003309.db2.gz VREVCHQBEWOARA-KRWDZBQOSA-N 0 1 446.624 5.285 20 0 IKADMN Cc1ccc(-c2nc3ccccc3c(N3CCn4c(CN(C)C(C)C)cnc4[C@@H]3C)n2)s1 ZINC001164861029 721008619 /nfs/dbraw/zinc/00/86/19/721008619.db2.gz MXDSDFXOWXSNMD-SFHVURJKSA-N 0 1 446.624 5.285 20 0 IKADMN FC1(F)CCN(c2c(Cl)cc(Cl)nc2Cl)C[C@]12CCN(Cc1ccccn1)C2 ZINC001164905340 721694806 /nfs/dbraw/zinc/69/48/06/721694806.db2.gz IPIIRWLPMYXKNO-GOSISDBHSA-N 0 1 447.744 5.175 20 0 IKADMN FC1(F)CCN(c2c(Cl)ncc(Cl)c2Cl)C[C@@]12CCN(Cc1ccccn1)C2 ZINC001164904916 721706990 /nfs/dbraw/zinc/70/69/90/721706990.db2.gz FNBNGQANGYJWGC-SFHVURJKSA-N 0 1 447.744 5.175 20 0 IKADMN CSc1cnc(Cl)c(C(F)(F)N2CC(c3ncn4cc(-c5ccoc5)ccc34)C2)c1 ZINC001165015165 721767486 /nfs/dbraw/zinc/76/74/86/721767486.db2.gz NAVZPHONPDUXBY-UHFFFAOYSA-N 0 1 446.910 5.513 20 0 IKADMN FC(F)(c1cc(C2CC2)nnc1Cl)N1CC(c2ncn3cc(-c4ccoc4)ccc23)C1 ZINC001165017081 721767994 /nfs/dbraw/zinc/76/79/94/721767994.db2.gz ZSAMUYYBIAHFKU-UHFFFAOYSA-N 0 1 441.869 5.064 20 0 IKADMN Cc1nc(CN2CCCC23CCN(c2c(Cl)cc(Cl)nc2Cl)CC3)cs1 ZINC001164693344 719805844 /nfs/dbraw/zinc/80/58/44/719805844.db2.gz SFRDRXFKPUBLLF-UHFFFAOYSA-N 0 1 431.820 5.442 20 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Cc1nc(-c2ccccc2Cl)nc(N2CCn3c(CN(C)C(C)C)cnc3[C@@H]2C)c1C ZINC001164863683 721011506 /nfs/dbraw/zinc/01/15/06/721011506.db2.gz UPHPDDZXVYNQPK-SFHVURJKSA-N 0 1 439.007 5.032 20 0 IKADMN CC(C)N(C)Cc1cnc2n1CCN(C(F)(F)c1ccc3c(Cl)nccc3c1)[C@H]2C ZINC001164857962 721012338 /nfs/dbraw/zinc/01/23/38/721012338.db2.gz DQQYTAGPHRKUCA-HNNXBMFYSA-N 0 1 433.934 5.051 20 0 IKADMN Cc1c(Cl)nc2cc(F)cc(F)c2c1N1CCn2c(CN(C)C(C)C)cnc2[C@@H]1C ZINC001164860322 721018598 /nfs/dbraw/zinc/01/85/98/721018598.db2.gz KXXFIPHJBRSMPH-AWEZNQCLSA-N 0 1 433.934 5.093 20 0 IKADMN FC1(F)CCN(c2nc3ccccc3cc2Cl)C[C@]12CCN(Cc1ccccn1)C2 ZINC001164906555 721698468 /nfs/dbraw/zinc/69/84/68/721698468.db2.gz NKCJRLDJQYSIMT-JOCHJYFZSA-N 0 1 428.914 5.021 20 0 IKADMN FC(F)(c1cc(Cl)nc(Cl)c1)N1CC(c2ncn3cc(-c4ccoc4)ccc23)C1 ZINC001165015187 721766531 /nfs/dbraw/zinc/76/65/31/721766531.db2.gz NKSKYGKBEWRIIR-UHFFFAOYSA-N 0 1 435.261 5.445 20 0 IKADMN FC(F)(c1ccc(Cl)c(Cl)n1)N1CC(c2ncn3cc(-c4ccoc4)ccc23)C1 ZINC001165016846 721767157 /nfs/dbraw/zinc/76/71/57/721767157.db2.gz YOPHWGYYOMQINA-UHFFFAOYSA-N 0 1 435.261 5.445 20 0 IKADMN FC(F)(N1CC(c2ncn3cc(-c4ccoc4)ccc23)C1)C1(c2ccnc(Cl)c2)CC1 ZINC001165015631 721767905 /nfs/dbraw/zinc/76/79/05/721767905.db2.gz SYWOIDYEWIWXSN-UHFFFAOYSA-N 0 1 440.881 5.367 20 0 IKADMN CC(C)(c1ccnc(Cl)c1)N1CCC2(C=C(C(=O)N3CCCC3)c3ccccc32)CC1 ZINC001164928781 721899676 /nfs/dbraw/zinc/89/96/76/721899676.db2.gz OVPXGWFATXXBAU-UHFFFAOYSA-N 0 1 435.999 5.023 20 0 IKADMN Fc1cccc(CN2CC[C@@]23CCCN(c2ccnc(CSc4ccccc4)n2)C3)c1 ZINC001164996455 722213035 /nfs/dbraw/zinc/21/30/35/722213035.db2.gz NJNFIYXIOFVUFP-RUZDIDTESA-N 0 1 434.584 5.153 20 0 IKADMN Cc1nc(CN2CCCC23CCN(c2nc(Cl)cc4cc(F)ccc42)CC3)cs1 ZINC001164694497 719803121 /nfs/dbraw/zinc/80/31/21/719803121.db2.gz ZHGKNSPOJRIEPZ-UHFFFAOYSA-N 0 1 430.980 5.427 20 0 IKADMN Cc1nc(CN2CCCC23CCN(c2nc(Cl)cc4ccc(F)cc42)CC3)cs1 ZINC001164692081 719806737 /nfs/dbraw/zinc/80/67/37/719806737.db2.gz FQRIQSGKJFPMIJ-UHFFFAOYSA-N 0 1 430.980 5.427 20 0 IKADMN Cc1nc(CN2CCCC23CCN(c2nc4ccc(Cl)cc4nc2Cl)CC3)cs1 ZINC001164692991 719807033 /nfs/dbraw/zinc/80/70/33/719807033.db2.gz ONFMMKUECSAAEP-UHFFFAOYSA-N 0 1 448.423 5.337 20 0 IKADMN Cc1nc(CN2CCCC23CCN(c2nc(Cl)cc4c(Cl)ccnc42)CC3)cs1 ZINC001164692424 719808469 /nfs/dbraw/zinc/80/84/69/719808469.db2.gz GKIPGFOHYZJEON-UHFFFAOYSA-N 0 1 448.423 5.337 20 0 IKADMN CCCCOc1cnc(N2CCC3(CCCN3Cc3csc(C)n3)CC2)c(Cl)c1 ZINC001164692672 719812713 /nfs/dbraw/zinc/81/27/13/719812713.db2.gz RAHKBNAXOVZJAT-UHFFFAOYSA-N 0 1 435.037 5.314 20 0 IKADMN Cc1nc(CN2CCCC23CCN(c2nc(Cl)nc4c2ccn4C(C)C)CC3)cs1 ZINC001164693922 719812852 /nfs/dbraw/zinc/81/28/52/719812852.db2.gz ZHQQIJNOQWTAIB-UHFFFAOYSA-N 0 1 445.036 5.066 20 0 IKADMN Cc1nc(CN2CCCC23CCN(c2nc(C(C)(C)C)nc(Cl)c2C)CC3)cs1 ZINC001164691302 719813246 /nfs/dbraw/zinc/81/32/46/719813246.db2.gz FFZGDVLVTGQZTC-UHFFFAOYSA-N 0 1 434.053 5.136 20 0 IKADMN CCc1ccc(-c2ccc(N3CCC4(CCCN4Cc4csc(C)n4)CC3)nn2)cc1 ZINC001164692195 719814799 /nfs/dbraw/zinc/81/47/99/719814799.db2.gz NSUUDRXHPSHWCB-UHFFFAOYSA-N 0 1 433.625 5.106 20 0 IKADMN Cc1nc(CN2CCCC23CCN(c2nnc(Cl)c4ccc(Cl)cc42)CC3)cs1 ZINC001164692939 719815442 /nfs/dbraw/zinc/81/54/42/719815442.db2.gz SLDCGXBGYOCQCC-UHFFFAOYSA-N 0 1 448.423 5.337 20 0 IKADMN Cc1nc(CN2CCCC23CCN(c2nc(Cl)cc4cccc(C)c42)CC3)cs1 ZINC001164697178 719815970 /nfs/dbraw/zinc/81/59/70/719815970.db2.gz AOLQANHKRODBQV-UHFFFAOYSA-N 0 1 427.017 5.597 20 0 IKADMN Cc1nc(CN2CCCC23CCN(c2cc(Cl)nc4c(F)cccc24)CC3)cs1 ZINC001164700749 719816727 /nfs/dbraw/zinc/81/67/27/719816727.db2.gz MJTHUUPVCUTZCN-UHFFFAOYSA-N 0 1 430.980 5.427 20 0 IKADMN CC(C)N(C)Cc1cnc2n1CCN(c1ncnc3scc(-c4cccs4)c31)[C@@H]2C ZINC001164856993 720941011 /nfs/dbraw/zinc/94/10/11/720941011.db2.gz DRHBDKFWKZNMPI-OAHLLOKOSA-N 0 1 438.626 5.038 20 0 IKADMN CC(C)N(C)Cc1cnc2n1CCN(c1c(Cl)nc(Cl)c(Cl)c1Cl)[C@@H]2C ZINC001164862402 720944491 /nfs/dbraw/zinc/94/44/91/720944491.db2.gz VHBAYOKUSMQSAB-SNVBAGLBSA-N 0 1 437.202 5.313 20 0 IKADMN CC(C)N(C)Cc1cnc2n1CCN(C(F)(F)c1cccc3ccnc(Cl)c31)[C@H]2C ZINC001164858132 720975951 /nfs/dbraw/zinc/97/59/51/720975951.db2.gz HQMVFBVMNARGSC-HNNXBMFYSA-N 0 1 433.934 5.051 20 0 IKADMN Cc1ccc(-c2nc3ccccc3c(N3CCn4c(CN(C)C(C)C)cnc4[C@@H]3C)n2)cc1 ZINC001164862645 720977628 /nfs/dbraw/zinc/97/76/28/720977628.db2.gz TXLZEBRLLVPINN-FQEVSTJZSA-N 0 1 440.595 5.223 20 0 IKADMN Cc1ccc(-c2nc3ccccc3c(N3CCn4c(CN(C)C(C)C)cnc4[C@H]3C)n2)cc1 ZINC001164862646 720978077 /nfs/dbraw/zinc/97/80/77/720978077.db2.gz TXLZEBRLLVPINN-HXUWFJFHSA-N 0 1 440.595 5.223 20 0 IKADMN CC(C)N(C)Cc1cnc2n1CCN(c1nnc(-c3ccc(F)cc3)c3ccccc31)[C@@H]2C ZINC001164859733 721004139 /nfs/dbraw/zinc/00/41/39/721004139.db2.gz LWQQPETVDYYVSO-GOSISDBHSA-N 0 1 444.558 5.054 20 0 IKADMN CC(C)N(C)Cc1cnc2n1CCN(C(F)(F)c1cnc(Cl)c(-c3ccco3)c1)[C@H]2C ZINC001164857314 721023144 /nfs/dbraw/zinc/02/31/44/721023144.db2.gz CUDWSQRBYMFGPG-HNNXBMFYSA-N 0 1 449.933 5.158 20 0 IKADMN FC1(F)CCN(c2nc3ccccc3cc2Cl)C[C@@]12CCN(Cc1ccccn1)C2 ZINC001164906559 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DTQGWCMUHQJGQE-UHFFFAOYSA-N 0 1 448.423 5.337 20 0 IKADMN Cc1nc(CN2CCCC23CCN(c2nccc(-c4c[nH]c5ccccc45)n2)CC3)cs1 ZINC001164692437 719808476 /nfs/dbraw/zinc/80/84/76/719808476.db2.gz GTSGCUUHVNXKLB-UHFFFAOYSA-N 0 1 444.608 5.025 20 0 IKADMN Cc1nc(CN2CCCC23CCN(c2nc(C)nc4sc(C)c(C)c42)CC3)cs1 ZINC001164694081 719808522 /nfs/dbraw/zinc/80/85/22/719808522.db2.gz UOLZIULDTVGBOB-UHFFFAOYSA-N 0 1 427.643 5.016 20 0 IKADMN COc1cnc(N2CCC3(CCCN3Cc3csc(C)n3)CC2)c2cc(Cl)ccc12 ZINC001164692558 719808974 /nfs/dbraw/zinc/80/89/74/719808974.db2.gz JGKGGFZBWGALGC-UHFFFAOYSA-N 0 1 443.016 5.297 20 0 IKADMN Cc1nc(CN2CCCC23CCN(c2nc4cc(C)c(C)cc4nc2Cl)CC3)cs1 ZINC001164691993 719811154 /nfs/dbraw/zinc/81/11/54/719811154.db2.gz DSOXOKZKXHSADF-UHFFFAOYSA-N 0 1 442.032 5.300 20 0 IKADMN Cc1nc(CN2CCCC23CCN(c2ccc4ccc(Cl)c(C)c4n2)CC3)cs1 ZINC001164693536 719812140 /nfs/dbraw/zinc/81/21/40/719812140.db2.gz WEGYVDUMSBUDHJ-UHFFFAOYSA-N 0 1 427.017 5.597 20 0 IKADMN Cc1nc(CN2CCCC23CCN(c2cc(C(C)C)nc(C(C)(C)C)n2)CC3)cs1 ZINC001164694042 719815165 /nfs/dbraw/zinc/81/51/65/719815165.db2.gz ZXRUSOMKFCPCOV-UHFFFAOYSA-N 0 1 427.662 5.297 20 0 IKADMN CC[C@H](C)c1nc(Cl)c(C)c(N2CCC3(CCCN3Cc3csc(C)n3)CC2)n1 ZINC001164704511 719815749 /nfs/dbraw/zinc/81/57/49/719815749.db2.gz YYYRCJHKGKYACO-HNNXBMFYSA-N 0 1 434.053 5.352 20 0 IKADMN Cc1nc(CN2CCCC23CCN(c2nc(C(F)F)nc4ccc(F)cc42)CC3)cs1 ZINC001164692964 719815868 /nfs/dbraw/zinc/81/58/68/719815868.db2.gz STFBUWQKVNNXTF-UHFFFAOYSA-N 0 1 447.530 5.106 20 0 IKADMN Cc1nc(CN2CCCC23CCN(c2nc(C4CCC4)nc(Cl)c2C)CC3)cs1 ZINC001164700227 719816390 /nfs/dbraw/zinc/81/63/90/719816390.db2.gz JZBGEEYEVUHLSI-UHFFFAOYSA-N 0 1 432.037 5.106 20 0 IKADMN Cc1nc(CN2CCCC23CCN(c2cc(Cl)nc4c(F)ccc(F)c24)CC3)cs1 ZINC001164702562 719816565 /nfs/dbraw/zinc/81/65/65/719816565.db2.gz RVVXYUHXVPSSJV-UHFFFAOYSA-N 0 1 448.970 5.566 20 0 IKADMN Cc1nc(CN2CCCC23CCN(c2c(Cl)ccc4c(Cl)ncnc42)CC3)cs1 ZINC001164700238 719817310 /nfs/dbraw/zinc/81/73/10/719817310.db2.gz KFLFHIJQGQEITA-UHFFFAOYSA-N 0 1 448.423 5.337 20 0 IKADMN Cc1ccc2cc(Cl)nc(N3CCC4(CC3)CN(Cc3cccs3)CCO4)c2c1 ZINC001164699054 719895624 /nfs/dbraw/zinc/89/56/24/719895624.db2.gz WINIPAYSKXFLNH-UHFFFAOYSA-N 0 1 428.001 5.130 20 0 IKADMN Cc1ccc2c(c1)cc(Cl)nc2N1CCC2(CC1)CN(Cc1cccs1)CCO2 ZINC001164697569 719896149 /nfs/dbraw/zinc/89/61/49/719896149.db2.gz LBRAJLIHNMWCTL-UHFFFAOYSA-N 0 1 428.001 5.130 20 0 IKADMN COc1ccc2c(Cl)cc(Cl)nc2c1N1CCn2c(CN(C)C(C)C)cnc2[C@@H]1C ZINC001164857242 720979010 /nfs/dbraw/zinc/97/90/10/720979010.db2.gz FEKDNQQMUQJPRG-AWEZNQCLSA-N 0 1 448.398 5.168 20 0 IKADMN Cc1sc2ncnc(N3CCn4c(CN(C)C(C)C)cnc4[C@H]3C)c2c1-c1ccccc1 ZINC001164863470 721002671 /nfs/dbraw/zinc/00/26/71/721002671.db2.gz VREVCHQBEWOARA-QGZVFWFLSA-N 0 1 446.624 5.285 20 0 IKADMN FC1(F)CCN(c2c(Cl)cc(Cl)nc2Cl)C[C@@]12CCN(Cc1ccccn1)C2 ZINC001164905342 721693821 /nfs/dbraw/zinc/69/38/21/721693821.db2.gz IPIIRWLPMYXKNO-SFHVURJKSA-N 0 1 447.744 5.175 20 0 IKADMN FC(F)(c1cnc(Cl)c(C2CC2)c1)N1CC(c2ncn3cc(-c4ccoc4)ccc23)C1 ZINC001165015299 721768239 /nfs/dbraw/zinc/76/82/39/721768239.db2.gz KGYMUOVLLFFHDZ-UHFFFAOYSA-N 0 1 440.881 5.669 20 0 IKADMN Fc1cccc(CN2CC[C@@]23CCCN(c2cc(-c4ccc(Cl)nn4)ccc2F)C3)c1 ZINC001164997280 722209811 /nfs/dbraw/zinc/20/98/11/722209811.db2.gz YHGREDGOOALYSL-XMMPIXPASA-N 0 1 440.925 5.320 20 0 IKADMN Cc1nc(CN2CCCC23CCN(c2ncnc4sc(C(C)C)cc42)CC3)cs1 ZINC001164692670 719803354 /nfs/dbraw/zinc/80/33/54/719803354.db2.gz OMOANZFQQDKNMA-UHFFFAOYSA-N 0 1 427.643 5.215 20 0 IKADMN Cc1nc(CN2CCCC23CCN(c2ncnc4cc(C(C)(C)C)sc42)CC3)cs1 ZINC001164691471 719806157 /nfs/dbraw/zinc/80/61/57/719806157.db2.gz HWIUFBBYRSQJDS-UHFFFAOYSA-N 0 1 441.670 5.389 20 0 IKADMN Cc1cc2c(nc(Cl)nc2N2CCC3(CCCN3Cc3csc(C)n3)CC2)s1 ZINC001164692878 719806719 /nfs/dbraw/zinc/80/67/19/719806719.db2.gz NKIOKRPJTNQXQB-UHFFFAOYSA-N 0 1 434.034 5.053 20 0 IKADMN Cc1nc(CN2CCCC23CCN(c2nc(Cl)cc4cc(C)ccc42)CC3)cs1 ZINC001164693590 719812115 /nfs/dbraw/zinc/81/21/15/719812115.db2.gz WVVJYHJRDLLVIU-UHFFFAOYSA-N 0 1 427.017 5.597 20 0 IKADMN Cc1nc(CN2CCCC23CCN(c2ccc(-c4cccc(Cl)c4)nn2)CC3)cs1 ZINC001164692063 719814033 /nfs/dbraw/zinc/81/40/33/719814033.db2.gz LCVSECZTQOVQIW-UHFFFAOYSA-N 0 1 440.016 5.197 20 0 IKADMN CCN(c1ccccc1)c1cc(N2CCC3(CCCN3Cc3csc(C)n3)CC2)ncn1 ZINC001164691744 719815024 /nfs/dbraw/zinc/81/50/24/719815024.db2.gz KKQQCLJNOYZFJO-UHFFFAOYSA-N 0 1 448.640 5.035 20 0 IKADMN Cc1nc(CN2CCCC23CCN(c2nc(CC(C)C)nc(Cl)c2C)CC3)cs1 ZINC001164702702 719815686 /nfs/dbraw/zinc/81/56/86/719815686.db2.gz SZIIWZRPVVANHZ-UHFFFAOYSA-N 0 1 434.053 5.037 20 0 IKADMN Cc1nc(CN2CCCC23CCN(c2nc4c(Cl)cccc4nc2Cl)CC3)cs1 ZINC001164698531 719815811 /nfs/dbraw/zinc/81/58/11/719815811.db2.gz DNEDFEOCSJAHEE-UHFFFAOYSA-N 0 1 448.423 5.337 20 0 IKADMN Cc1ccc2nc(Cl)cc(N3CCC4(CC3)CN(Cc3cccs3)CCO4)c2c1 ZINC001164696119 719890492 /nfs/dbraw/zinc/89/04/92/719890492.db2.gz YCIBFLFXYNYPTF-UHFFFAOYSA-N 0 1 428.001 5.130 20 0 IKADMN Cc1ccc2c(c1)nc(Cl)cc2N1CCC2(CC1)CN(Cc1cccs1)CCO2 ZINC001164698419 719894112 /nfs/dbraw/zinc/89/41/12/719894112.db2.gz SPTHLYMVZLNITN-UHFFFAOYSA-N 0 1 428.001 5.130 20 0 IKADMN Cc1cc(N2CCC3(CC2)CN(Cc2cccs2)CCO3)nc2cc(Cl)ccc12 ZINC001164698235 719895353 /nfs/dbraw/zinc/89/53/53/719895353.db2.gz QBROERVMWOSQLM-UHFFFAOYSA-N 0 1 428.001 5.130 20 0 IKADMN COc1ccc2c(Cl)cc(Cl)nc2c1N1CCn2c(CN(C)C(C)C)cnc2[C@H]1C ZINC001164857243 720980514 /nfs/dbraw/zinc/98/05/14/720980514.db2.gz FEKDNQQMUQJPRG-CQSZACIVSA-N 0 1 448.398 5.168 20 0 IKADMN CC(C)N(C)Cc1cnc2n1CCN(c1nc(-c3ccc(F)cc3)nc3ccccc31)[C@H]2C ZINC001164863458 721002969 /nfs/dbraw/zinc/00/29/69/721002969.db2.gz VQTBGIUDQVGZIJ-SFHVURJKSA-N 0 1 444.558 5.054 20 0 IKADMN Cc1c(Cl)nc2cc(F)cc(F)c2c1N1CCn2c(CN(C)C(C)C)cnc2[C@H]1C ZINC001164860323 721019624 /nfs/dbraw/zinc/01/96/24/721019624.db2.gz KXXFIPHJBRSMPH-CQSZACIVSA-N 0 1 433.934 5.093 20 0 IKADMN CC(C)N(C)Cc1cnc2n1CCN(C(F)(F)c1cnc(Cl)c(-c3ccco3)c1)[C@@H]2C ZINC001164857315 721024232 /nfs/dbraw/zinc/02/42/32/721024232.db2.gz CUDWSQRBYMFGPG-OAHLLOKOSA-N 0 1 449.933 5.158 20 0 IKADMN FC(F)(c1cc(Cl)cnc1Cl)N1CC(c2ncn3cc(-c4ccoc4)ccc23)C1 ZINC001165013963 721766601 /nfs/dbraw/zinc/76/66/01/721766601.db2.gz BYHMNHFALLGJCS-UHFFFAOYSA-N 0 1 435.261 5.445 20 0 IKADMN FC(F)(c1cnc(Cl)c(Cl)c1)N1CC(c2ncn3cc(-c4ccoc4)ccc23)C1 ZINC001165015373 721766621 /nfs/dbraw/zinc/76/66/21/721766621.db2.gz PFDGJPXIBOLROG-UHFFFAOYSA-N 0 1 435.261 5.445 20 0 IKADMN FC(F)(c1cc(Cl)ncc1Cl)N1CC(c2ncn3cc(-c4ccoc4)ccc23)C1 ZINC001165014780 721766889 /nfs/dbraw/zinc/76/68/89/721766889.db2.gz IVMDQXQDPXYWMQ-UHFFFAOYSA-N 0 1 435.261 5.445 20 0 IKADMN FC(F)(c1cc(Cl)nc2c1CCC2)N1CC(c2ncn3cc(-c4ccoc4)ccc23)C1 ZINC001165020316 721768317 /nfs/dbraw/zinc/76/83/17/721768317.db2.gz XPZJAOWAWJUJPC-UHFFFAOYSA-N 0 1 440.881 5.280 20 0 IKADMN