smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=S(=O)(NCCn1ccnc1-c1ccccn1)c1cccc(C(F)(F)F)c1 ZINC000217864676 205941093 /nfs/dbraw/zinc/94/10/93/205941093.db2.gz CVUTYNQAKRQJNT-UHFFFAOYSA-N 0 0 396.394 2.942 50 70 GFIARN O=C(Cc1ccc(F)cc1F)N1CCC[C@@H](Cc2nc(-c3cnccn3)no2)C1 ZINC000217847016 205941513 /nfs/dbraw/zinc/94/15/13/205941513.db2.gz CMMPFWSQGVAFSS-ZDUSSCGKSA-N 0 0 399.401 2.829 50 70 GFIARN COc1ccc2c(c1OC)C(=O)O[C@@H]2CC(=O)Nc1ccc(O)c(C(C)=O)c1 ZINC000218224360 205945451 /nfs/dbraw/zinc/94/54/51/205945451.db2.gz FEEMPDVCYTYLHG-MRXNPFEDSA-N 0 0 385.372 2.852 50 70 GFIARN CC(C)[C@H](NC(=O)CN1C(=O)c2ccccc2C1=O)c1nc2ccccc2n1C ZINC000218387187 570333273 /nfs/dbraw/zinc/33/32/73/570333273.db2.gz ISHVCENJDGFYOW-IBGZPJMESA-N 0 0 390.443 2.683 50 70 GFIARN COc1ccc2c(c1OC)C(=O)O[C@H]2CC(=O)Nc1ccc(-c2nc[nH]n2)cc1 ZINC000218299838 205948160 /nfs/dbraw/zinc/94/81/60/205948160.db2.gz FKYNTNRTPQGVTP-HNNXBMFYSA-N 0 0 394.387 2.729 50 70 GFIARN Cc1ccccc1-c1noc(C[C@H]2CCCN(C(=O)c3cccn(C)c3=O)C2)n1 ZINC000217826042 205942521 /nfs/dbraw/zinc/94/25/21/205942521.db2.gz FFLDHEPKMZRKNZ-MRXNPFEDSA-N 0 0 392.459 2.839 50 70 GFIARN Cc1csc(NC(=O)CC[C@@H]2NC(=O)N(Cc3ccccc3Cl)C2=O)n1 ZINC000218230233 570328246 /nfs/dbraw/zinc/32/82/46/570328246.db2.gz MQYFNCISDXGTST-ZDUSSCGKSA-N 0 0 392.868 2.944 50 70 GFIARN O=C(NCCc1ccccc1)N1CCC[C@@H](Cc2nc(-c3cnccn3)no2)C1 ZINC000217849087 205942629 /nfs/dbraw/zinc/94/26/29/205942629.db2.gz NZWMHJVIIMJMNO-KRWDZBQOSA-N 0 0 392.463 2.733 50 70 GFIARN Cc1nn(-c2cccc(C(=O)N3CCc4n[nH]cc4C3)c2)c(=O)c2ccccc12 ZINC000217520323 570317740 /nfs/dbraw/zinc/31/77/40/570317740.db2.gz QGOVROHTOZGJMZ-UHFFFAOYSA-N 0 0 385.427 2.616 50 70 GFIARN COc1ccc2c(c1OC)C(=O)O[C@@H]2CC(=O)Nc1ccc2nccnc2c1 ZINC000218351256 570332525 /nfs/dbraw/zinc/33/25/25/570332525.db2.gz BZAZDFSOUNRBEE-MRXNPFEDSA-N 0 0 379.372 2.887 50 70 GFIARN O=C(CC[C@@H]1NC(=O)N(Cc2ccco2)C1=O)Nc1cccc2ncccc21 ZINC000218391033 570333262 /nfs/dbraw/zinc/33/32/62/570333262.db2.gz SRYFPKPZFXXRFK-KRWDZBQOSA-N 0 0 378.388 2.667 50 70 GFIARN CCc1c(C)cc(C(=O)N[C@@H]2[C@@H](Cc3ccccc3)[C@H]3OCC[C@@H]23)c(=O)n1C ZINC000218433164 529491727 /nfs/dbraw/zinc/49/17/27/529491727.db2.gz XSRYKXVUONKZQV-JWWGGVBKSA-N 0 0 380.488 2.632 50 70 GFIARN O=C(CCc1ccc(Br)cc1)N1CC[C@H](N2C(=O)CSC2=O)C1 ZINC000217783254 205941983 /nfs/dbraw/zinc/94/19/83/205941983.db2.gz QLNKSGZSLXDLLL-ZDUSSCGKSA-N 0 0 397.294 2.678 50 70 GFIARN CC(=O)c1ccc(S(=O)(=O)NCCn2ccc(-c3ccsc3)n2)cc1 ZINC000217892687 553053515 /nfs/dbraw/zinc/05/35/15/553053515.db2.gz BTFPNXYPWLZKET-UHFFFAOYSA-N 0 0 375.475 2.793 50 70 GFIARN Cc1nc2c(c(=O)[nH]1)CCN(C(=O)C[C@H](c1ccco1)c1ccccc1)CC2 ZINC000217118670 570312816 /nfs/dbraw/zinc/31/28/16/570312816.db2.gz XYLNGEMVTPYYLM-SFHVURJKSA-N 0 0 377.444 2.821 50 70 GFIARN COc1ccc(C(=O)COc2coc(CN3CCCCC3)cc2=O)cc1OC ZINC000218317588 570331167 /nfs/dbraw/zinc/33/11/67/570331167.db2.gz VNZVIJKNDWIESZ-UHFFFAOYSA-N 0 0 387.432 2.905 50 70 GFIARN COc1ccc([C@@H](NC(=O)C[C@@H]2NC(=O)c3ccccc3NC2=O)C(C)C)cc1 ZINC000217705004 205939422 /nfs/dbraw/zinc/93/94/22/205939422.db2.gz OOQDAHUIVGKIBS-ICSRJNTNSA-N 0 0 395.459 2.649 50 70 GFIARN CCOC(=O)Cc1csc(NC(=O)c2cnc3c(OC)cccc3c2O)n1 ZINC000218282818 570329749 /nfs/dbraw/zinc/32/97/49/570329749.db2.gz ILHPOQYVDQDPLB-UHFFFAOYSA-N 0 0 387.417 2.763 50 70 GFIARN O=S(=O)(NCC[C@H](O)c1ccsc1)c1ccccc1Br ZINC000217539071 205937926 /nfs/dbraw/zinc/93/79/26/205937926.db2.gz XIMXFVUTKQKCSF-LBPRGKRZSA-N 0 0 376.297 2.913 50 70 GFIARN COCCn1c(CCNC(=O)c2n[nH]c3c2CCCCC3)nc2ccccc21 ZINC000218546861 570336673 /nfs/dbraw/zinc/33/66/73/570336673.db2.gz PYTZCPSSODRTHS-UHFFFAOYSA-N 0 0 381.480 2.647 50 70 GFIARN O=C(NCc1ccc(F)cc1)N1CCC[C@@H](Cc2nc(-c3cnccn3)no2)C1 ZINC000217850115 205941988 /nfs/dbraw/zinc/94/19/88/205941988.db2.gz YSTCRIUAMGFLEC-HNNXBMFYSA-N 0 0 396.426 2.830 50 70 GFIARN O=c1cc(CN2CCCCC2)oc(CN2CCN(c3ccccc3)CC2)c1O ZINC000218364482 136203686 /nfs/dbraw/zinc/20/36/86/136203686.db2.gz TWVHZNFNCSNMBT-UHFFFAOYSA-N 0 0 383.492 2.654 50 70 GFIARN Cc1cc(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)N[C@@H](C)CCCC(C)C)[C@H]4C2=O)no1 ZINC000217713319 570371496 /nfs/dbraw/zinc/37/14/96/570371496.db2.gz XCLJIXXMLYMVTE-UZVAKFGASA-N 0 0 387.480 2.600 50 70 GFIARN CC(C)c1ccc(NC(=O)COc2coc(CN3CCOCC3)cc2=O)cc1 ZINC000218390829 570333207 /nfs/dbraw/zinc/33/32/07/570333207.db2.gz UUELTRVIYRUFRT-UHFFFAOYSA-N 0 0 386.448 2.613 50 70 GFIARN O=C(c1cnc2c(Cl)cccc2c1O)N1CCN(CCc2ccncc2)CC1 ZINC000218388758 570333283 /nfs/dbraw/zinc/33/32/83/570333283.db2.gz DERBIGUGHRXYTK-UHFFFAOYSA-N 0 0 396.878 2.989 50 70 GFIARN CC(=O)Nc1ccc(NC(=O)c2c(C)cc(C)n(C[C@H]3CCCO3)c2=O)cc1 ZINC000218459926 570334955 /nfs/dbraw/zinc/33/49/55/570334955.db2.gz KQJDNTDJVKDFQT-GOSISDBHSA-N 0 0 383.448 2.855 50 70 GFIARN COc1cc(NC(=O)Cn2cc(OC)c(=O)cc2C)ccc1-n1nc(C)cc1C ZINC000218275599 570819249 /nfs/dbraw/zinc/81/92/49/570819249.db2.gz YYXUDPCRQJRWHI-UHFFFAOYSA-N 0 0 396.447 2.615 50 70 GFIARN O=C(N1CC(N2C(=O)[C@H]3CC=CC[C@@H]3C2=O)C1)C1(c2cccs2)CCCC1 ZINC000217724907 208830158 /nfs/dbraw/zinc/83/01/58/208830158.db2.gz UCFFOSPXJIJJFH-HOTGVXAUSA-N 0 0 384.501 2.722 50 70 GFIARN COc1ccc2[nH]c(=O)c([C@@H]3CC(=O)Oc4ccc(C(C)=O)c(O)c43)cc2c1 ZINC000217864217 208831673 /nfs/dbraw/zinc/83/16/73/208831673.db2.gz WBNBTYODZUIJAO-AWEZNQCLSA-N 0 0 379.368 2.886 50 70 GFIARN Cc1nc(CC(C)C)cc(C(=O)N[C@@H]2CCOC[C@H]2OCc2cscn2)n1 ZINC000218478893 208835942 /nfs/dbraw/zinc/83/59/42/208835942.db2.gz RZBWXHGWIRFRMO-SJLPKXTDSA-N 0 0 390.509 2.544 50 70 GFIARN Cn1c(C(=O)NCCn2c(=O)c(=O)[nH]c3ccccc32)cc2ccc(Cl)cc21 ZINC000218194089 570327587 /nfs/dbraw/zinc/32/75/87/570327587.db2.gz WENDRJRCQRBEDA-UHFFFAOYSA-N 0 0 396.834 2.677 50 70 GFIARN CC(C)[C@H](NC(=O)Cn1ncc2ccccc2c1=O)c1nc2ccccc2n1C ZINC000218388545 208835936 /nfs/dbraw/zinc/83/59/36/208835936.db2.gz XIBULGVECJCVFJ-FQEVSTJZSA-N 0 0 389.459 2.797 50 70 GFIARN CSc1cccc(N2C[C@H](C(=O)Nc3ccc4nc[nH]c(=O)c4c3)CC2=O)c1 ZINC000218143186 570326350 /nfs/dbraw/zinc/32/63/50/570326350.db2.gz ZNFHDLPYOQFXAZ-GFCCVEGCSA-N 0 0 394.456 2.637 50 70 GFIARN C[C@@H](CO)NC(=O)c1cnn(-c2ccc(OC(F)(F)F)cc2)c1-n1cccc1 ZINC000218176343 570327243 /nfs/dbraw/zinc/32/72/43/570327243.db2.gz REGLJYWOAKOYEZ-LBPRGKRZSA-N 0 0 394.353 2.672 50 70 GFIARN CC(C)=CCO[C@H]1CCOC[C@H]1NC(=O)c1cnc(N)nc1-c1ccccc1 ZINC000218180334 570327251 /nfs/dbraw/zinc/32/72/51/570327251.db2.gz DZCXXXOZWYZTGM-MSOLQXFVSA-N 0 0 382.464 2.596 50 70 GFIARN C[C@H](NC(=O)c1ccc(Cl)cc1-n1cnnn1)c1nc2ccccc2n1C ZINC000218514694 570335921 /nfs/dbraw/zinc/33/59/21/570335921.db2.gz KSGNWLQSQYRXJP-NSHDSACASA-N 0 0 381.827 2.693 50 70 GFIARN O=C(Nc1ccccc1C(F)(F)F)N1CC(N2C(=O)[C@@H]3CC=CC[C@H]3C2=O)C1 ZINC000217737696 208829741 /nfs/dbraw/zinc/82/97/41/208829741.db2.gz ZQUGQYAOYQLCSU-CHWSQXEVSA-N 0 0 393.365 2.873 50 70 GFIARN O=C(CCc1ccc(C(F)(F)F)cc1)N1CC[C@H](N2C(=O)CSC2=O)C1 ZINC000217784615 208830271 /nfs/dbraw/zinc/83/02/71/208830271.db2.gz YESVUXANEXLYCW-ZDUSSCGKSA-N 0 0 386.395 2.934 50 70 GFIARN Cc1nc2ccccn2c1C(=O)Nc1cnn(C[C@H]2COc3ccccc3O2)c1 ZINC000218273514 208834491 /nfs/dbraw/zinc/83/44/91/208834491.db2.gz LOHVODWXOSZZRB-INIZCTEOSA-N 0 0 389.415 2.932 50 70 GFIARN COCCNC(=O)c1cnn(-c2ccccc2Br)c1-n1cccc1 ZINC000218191084 208835421 /nfs/dbraw/zinc/83/54/21/208835421.db2.gz AIGALNLGNBVFCE-UHFFFAOYSA-N 0 0 389.253 2.802 50 70 GFIARN Cc1nc2c([nH]1)C[C@@H](C(=O)N1CCN(c3ccc(C(F)(F)F)cn3)CC1)CC2 ZINC000161215810 136196359 /nfs/dbraw/zinc/19/63/59/136196359.db2.gz GHZPUWHKLJVBSP-ZDUSSCGKSA-N 0 0 393.413 2.586 50 70 GFIARN COCCn1c(C)cc(C)c(C(=O)NCCn2ccc3cc(C)ccc32)c1=O ZINC000218504356 518077682 /nfs/dbraw/zinc/07/76/82/518077682.db2.gz KCZMRGAHBMUSNP-UHFFFAOYSA-N 0 0 381.476 2.805 50 70 GFIARN O=C(CCc1ccc(Br)cc1)N1CC[C@@H](N2C(=O)CSC2=O)C1 ZINC000217783324 553053203 /nfs/dbraw/zinc/05/32/03/553053203.db2.gz QLNKSGZSLXDLLL-CYBMUJFWSA-N 0 0 397.294 2.678 50 70 GFIARN O=C(Nc1cnn(C[C@@H]2COc3ccccc3O2)c1)c1cc(-c2ccco2)[nH]n1 ZINC000218250273 570818199 /nfs/dbraw/zinc/81/81/99/570818199.db2.gz SVPVLSYIVWAJQK-CQSZACIVSA-N 0 0 391.387 2.959 50 70 GFIARN Cc1ccc(N2C[C@@H](C(=O)Nc3cnn(CC4CCOCC4)c3)CC2=O)cc1C ZINC000218217386 208834768 /nfs/dbraw/zinc/83/47/68/208834768.db2.gz FBYYWXDBTXBGIK-SFHVURJKSA-N 0 0 396.491 2.918 50 70 GFIARN COc1ccc(NC(=O)CCc2c(C)[nH]c3c4c(cccc4F)nn3c2=O)cn1 ZINC000218362467 208836562 /nfs/dbraw/zinc/83/65/62/208836562.db2.gz OMYZOVWOPVWYEG-UHFFFAOYSA-N 0 0 395.394 2.598 50 70 GFIARN CS(=O)(=O)c1ccc(C2(C(=O)N[C@H]3C[C@@H]4OCC[C@H]34)CCCCC2)cc1 ZINC000218255930 570329042 /nfs/dbraw/zinc/32/90/42/570329042.db2.gz QTEZFFXUUAGBEL-SQNIBIBYSA-N 0 0 377.506 2.586 50 70 GFIARN Cc1cc(O)cc(=O)n1CCCC(=O)N1CCC[C@H]1c1nc2ccccc2[nH]1 ZINC000218456285 570334911 /nfs/dbraw/zinc/33/49/11/570334911.db2.gz QJHDHVZJZUNXCS-SFHVURJKSA-N 0 0 380.448 2.883 50 70 GFIARN CC[C@@H](O)c1cc2n(n1)CCCN(C(=O)c1cnn(Cc3ccccc3)c1)C2 ZINC000218638321 208838026 /nfs/dbraw/zinc/83/80/26/208838026.db2.gz KMXVSVXEUZHVLP-HXUWFJFHSA-N 0 0 379.464 2.617 50 70 GFIARN O=C(c1cc2cc(F)ccc2s1)N1Cc2cnc(N3CCOCC3)nc2C1 ZINC000217611308 136203328 /nfs/dbraw/zinc/20/33/28/136203328.db2.gz SGMWEBCZYYQXHN-UHFFFAOYSA-N 0 0 384.436 2.823 50 70 GFIARN O=S(=O)(NCCSC1CCOCC1)c1ccc(OC(F)(F)F)cc1 ZINC000217710924 553053383 /nfs/dbraw/zinc/05/33/83/553053383.db2.gz LWYDJBQRGOGZSH-UHFFFAOYSA-N 0 0 385.429 2.776 50 70 GFIARN CC(=O)N1CC(Nc2cc(Br)c(O)c(Br)c2)=CC1=O ZINC000218519996 553053842 /nfs/dbraw/zinc/05/38/42/553053842.db2.gz QIKJFLATEHAOMN-UHFFFAOYSA-N 0 0 390.031 2.602 50 70 GFIARN COc1cccc(-c2cc(C(=O)Nc3cnn(CC4CCOCC4)c3)n[nH]2)c1 ZINC000218199265 570814448 /nfs/dbraw/zinc/81/44/48/570814448.db2.gz HXVBVTJGQDGEJY-UHFFFAOYSA-N 0 0 381.436 2.961 50 70 GFIARN COC(=O)CS[C@@H]1CCN(S(=O)(=O)Cc2cccc(C(F)(F)F)c2)C1 ZINC000217569643 208828763 /nfs/dbraw/zinc/82/87/63/208828763.db2.gz NCVCRRCRICUELM-CYBMUJFWSA-N 0 0 397.440 2.516 50 70 GFIARN CC(=O)Nc1ccc(C(=O)N2CC[C@@H](n3cc(-c4ccccc4)nn3)C2)cc1 ZINC000217660840 208829457 /nfs/dbraw/zinc/82/94/57/208829457.db2.gz VGKRAEYFDYFORH-LJQANCHMSA-N 0 0 375.432 2.991 50 70 GFIARN Cc1ccc(OCc2occc2C(=O)N2CCN(c3cnccn3)CC2)cc1 ZINC000217027118 570312078 /nfs/dbraw/zinc/31/20/78/570312078.db2.gz XNCALIHIJLFXIS-UHFFFAOYSA-N 0 0 378.432 2.919 50 70 GFIARN CC(=O)Nc1cccc2c1ccn2CC(=O)N[C@@H](C)c1nnc2ccccn21 ZINC000218186819 570327214 /nfs/dbraw/zinc/32/72/14/570327214.db2.gz ITUGPXKNHSYJGL-ZDUSSCGKSA-N 0 0 376.420 2.520 50 70 GFIARN COc1ccc2ncc(C(=O)Nc3ccc(Cn4cncn4)cc3)c(O)c2c1 ZINC000218417740 570333677 /nfs/dbraw/zinc/33/36/77/570333677.db2.gz HWQMKQOYYDLJSH-UHFFFAOYSA-N 0 0 375.388 2.841 50 70 GFIARN O=C(CCc1ccncc1)N1CCn2nc([C@@H](O)Cc3ccccc3)cc2C1 ZINC000218575679 570337099 /nfs/dbraw/zinc/33/70/99/570337099.db2.gz RPDVDTPRRUVWNL-NRFANRHFSA-N 0 0 376.460 2.529 50 70 GFIARN Cc1ccccc1C(=O)N1CCC(C(=O)N2CCC(c3cc[nH]n3)CC2)CC1 ZINC000218586335 570337155 /nfs/dbraw/zinc/33/71/55/570337155.db2.gz HBWSAHJDYHXNSD-UHFFFAOYSA-N 0 0 380.492 2.977 50 70 GFIARN Cc1ccc(N2C[C@H](C(=O)Nc3cnn(CC4CCOCC4)c3)CC2=O)cc1C ZINC000218217300 570816993 /nfs/dbraw/zinc/81/69/93/570816993.db2.gz FBYYWXDBTXBGIK-GOSISDBHSA-N 0 0 396.491 2.918 50 70 GFIARN O=C(COc1ccc2occ(-c3ccsc3)c2c1)N[C@@H]1CCS(=O)(=O)C1 ZINC000218268692 208835607 /nfs/dbraw/zinc/83/56/07/208835607.db2.gz WPBOHXBVKWTSDT-CYBMUJFWSA-N 0 0 391.470 2.843 50 70 GFIARN O=S(=O)(NCCNc1nccc(C(F)(F)F)n1)c1ccc(F)c(Cl)c1 ZINC000159600909 551567321 /nfs/dbraw/zinc/56/73/21/551567321.db2.gz YTIAYBSBNQRXMH-UHFFFAOYSA-N 0 0 398.769 2.678 50 70 GFIARN Cc1cc(OC2CN(S(=O)(=O)c3c(Cl)cccc3Cl)C2)cc(=O)o1 ZINC000217753247 553053265 /nfs/dbraw/zinc/05/32/65/553053265.db2.gz CUAKYLJQSOUXPV-UHFFFAOYSA-N 0 0 390.244 2.707 50 70 GFIARN O=C(Nc1cnn(C[C@H]2COc3ccccc3O2)c1)c1noc2c1CCCC2 ZINC000218282210 570819126 /nfs/dbraw/zinc/81/91/26/570819126.db2.gz OYZATULGDWHCEG-AWEZNQCLSA-N 0 0 380.404 2.842 50 70 GFIARN O=C(CN1c2cccnc2Sc2ccccc2C1=O)NCCc1ccccn1 ZINC000218153961 208833159 /nfs/dbraw/zinc/83/31/59/208833159.db2.gz UUGCTFJMCXTZGO-UHFFFAOYSA-N 0 0 390.468 2.947 50 70 GFIARN CC(C)Sc1ccc(CC(=O)N2Cc3cnc(N4CCOCC4)nc3C2)cc1 ZINC000217609416 535116690 /nfs/dbraw/zinc/11/66/90/535116690.db2.gz MEEORPXFYKZUEK-UHFFFAOYSA-N 0 0 398.532 2.899 50 70 GFIARN COc1ccccc1OC(C)(C)C(=O)N[C@H]1CCOC[C@H]1C1CCOCC1 ZINC000218053318 570324693 /nfs/dbraw/zinc/32/46/93/570324693.db2.gz MJCYVFSEECKJPA-IRXDYDNUSA-N 0 0 377.481 2.801 50 70 GFIARN COc1ccc(CN2C(=O)N[C@@H](CC(=O)NC3CCCCCCC3)C2=O)cc1 ZINC000218332407 570331572 /nfs/dbraw/zinc/33/15/72/570331572.db2.gz CXVIOTKEAYUMDH-SFHVURJKSA-N 0 0 387.480 2.735 50 70 GFIARN Cn1c(CCCCCNC(=O)c2ccc(-n3cnnn3)cc2)nc2ccccc21 ZINC000218517922 570335956 /nfs/dbraw/zinc/33/59/56/570335956.db2.gz NJOBREOLQDFJGN-UHFFFAOYSA-N 0 0 389.463 2.692 50 70 GFIARN O=C(CC1(n2cccc2)CCOCC1)NCCCCCc1nnc2ccccn21 ZINC000218236373 570818061 /nfs/dbraw/zinc/81/80/61/570818061.db2.gz OGYVERGRIOKUMK-UHFFFAOYSA-N 0 0 395.507 2.956 50 70 GFIARN O=C(CCc1ccncc1)N1CCn2nc([C@H](O)Cc3ccccc3)cc2C1 ZINC000218575751 211760532 /nfs/dbraw/zinc/76/05/32/211760532.db2.gz RPDVDTPRRUVWNL-OAQYLSRUSA-N 0 0 376.460 2.529 50 70 GFIARN O=C(NCCSc1ccccc1)[C@H]1CC(=O)N(CCc2ccc(O)cc2)C1 ZINC000218151791 211757466 /nfs/dbraw/zinc/75/74/66/211757466.db2.gz OWKYITBSORKZAE-KRWDZBQOSA-N 0 0 384.501 2.692 50 70 GFIARN COCCn1c(C)cc(C)c(C(=O)NCCc2c[nH]c3ccc(OC)cc23)c1=O ZINC000218154465 211756892 /nfs/dbraw/zinc/75/68/92/211756892.db2.gz CCGOLSMQJAHCJE-UHFFFAOYSA-N 0 0 397.475 2.574 50 70 GFIARN COc1ccc(CCS(=O)(=O)NC[C@@](C)(O)c2cc3ccccc3o2)cc1 ZINC000217998467 211754890 /nfs/dbraw/zinc/75/48/90/211754890.db2.gz SWEUBWUDMBJZJV-HXUWFJFHSA-N 0 0 389.473 2.811 50 70 GFIARN O=C(c1cc2cc(F)ccc2s1)N1CC(N2C(=O)[C@@H]3CC=CC[C@@H]3C2=O)C1 ZINC000217727054 211750315 /nfs/dbraw/zinc/75/03/15/211750315.db2.gz PWQKRQJBFKTIAR-GASCZTMLSA-N 0 0 384.432 2.816 50 70 GFIARN 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70 GFIARN O=C(N[C@@H]1CCOC[C@H]1OCc1ccccc1)c1cc(=O)c2ccccc2o1 ZINC000218489188 570335266 /nfs/dbraw/zinc/33/52/66/570335266.db2.gz FTWQHHGNXIHUCC-DYESRHJHSA-N 0 0 379.412 2.897 50 70 GFIARN COC(=O)C[C@H](c1cccc2ccccc21)c1c(O)c(C(=O)OC)c[nH]c1=O ZINC000218573663 570337120 /nfs/dbraw/zinc/33/71/20/570337120.db2.gz MVGHCFVTCFRBCJ-OAHLLOKOSA-N 0 0 381.384 2.715 50 70 GFIARN CCOc1ccccc1NC(=O)C(=O)NC[C@@](C)(O)c1cc2ccccc2o1 ZINC000218003058 222584170 /nfs/dbraw/zinc/58/41/70/222584170.db2.gz QLFUXUWYNMFZTR-OAQYLSRUSA-N 0 0 382.416 2.794 50 70 GFIARN Cc1nnnn1-c1ccccc1C(=O)N1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000218326694 570331127 /nfs/dbraw/zinc/33/11/27/570331127.db2.gz DZDFNDCDTQQSEY-UHFFFAOYSA-N 0 0 387.447 2.867 50 70 GFIARN O=C(CC[C@@H]1NC(=O)c2ccccc2NC1=O)Nc1nc2ccc(F)cc2s1 ZINC000218410730 570333850 /nfs/dbraw/zinc/33/38/50/570333850.db2.gz OTXQOLUDZQCSKE-AWEZNQCLSA-N 0 0 398.419 2.905 50 70 GFIARN Cc1cc(N2C[C@@]34C=C[C@@H](O3)[C@H](C(=O)N[C@H](C)CCCC(C)C)[C@H]4C2=O)no1 ZINC000217713411 212113039 /nfs/dbraw/zinc/11/30/39/212113039.db2.gz XCLJIXXMLYMVTE-BXUPCCMSSA-N 0 0 387.480 2.600 50 70 GFIARN COc1cc([C@@H]2CC(=O)Oc3cc(OC)c(OC)c(OC)c32)cc(OC)c1O ZINC000218011189 212112856 /nfs/dbraw/zinc/11/28/56/212112856.db2.gz KUOJPPRJOMDJOU-NSHDSACASA-N 0 0 390.388 2.876 50 70 GFIARN CC(C)N1C(=O)c2ccccc2N2C(=O)CC[C@]21C(=O)Nc1ccc(O)cc1 ZINC000217984658 212112611 /nfs/dbraw/zinc/11/26/11/212112611.db2.gz POHIEKSTRFVMPO-OAQYLSRUSA-N 0 0 379.416 2.718 50 70 GFIARN CC(C)Oc1ccccc1CNC(=O)CC[C@@H]1NC(=O)c2ccccc2NC1=O ZINC000217836495 570322072 /nfs/dbraw/zinc/32/20/72/570322072.db2.gz ILXBHEZSDXKHDM-SFHVURJKSA-N 0 0 395.459 2.621 50 70 GFIARN Cc1cc(=O)[nH]c(CCNC(=O)c2ccc(CSc3ccccn3)cc2)n1 ZINC000218048963 570324727 /nfs/dbraw/zinc/32/47/27/570324727.db2.gz JMZBRVXFSNHMFS-UHFFFAOYSA-N 0 0 380.473 2.738 50 70 GFIARN COc1ccc2c(c1OC)C(=O)O[C@H]2CC(=O)Nc1cccc(-c2nc[nH]n2)c1 ZINC000218346243 570331953 /nfs/dbraw/zinc/33/19/53/570331953.db2.gz ZMGCIMFLYZTCHL-HNNXBMFYSA-N 0 0 394.387 2.729 50 70 GFIARN COc1ccc(NC(=O)CS[C@H]2OC(=O)c3c2ccc(OC)c3OC)cn1 ZINC000218613326 570337809 /nfs/dbraw/zinc/33/78/09/570337809.db2.gz VAIGZUCQKQGSMU-GOSISDBHSA-N 0 0 390.417 2.648 50 70 GFIARN CC(=O)c1c(C)nn(CC(=O)N(C)Cc2cnn(-c3cccc(C)c3)c2)c1C ZINC000218232204 205946363 /nfs/dbraw/zinc/94/63/63/205946363.db2.gz PGTRLVMIHVIZEI-UHFFFAOYSA-N 0 0 379.464 2.855 50 70 GFIARN O=C(CN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]21)Nc1cccnc1 ZINC000217794282 205942058 /nfs/dbraw/zinc/94/20/58/205942058.db2.gz XYEHSPWWGMIASD-FQEVSTJZSA-N 0 0 384.395 2.835 50 70 GFIARN CCOC(=O)Cc1csc(NC(=O)CC2(n3cccc3)CCOCC2)n1 ZINC000218208911 570327865 /nfs/dbraw/zinc/32/78/65/570327865.db2.gz XMMAOLXTPQMWTC-UHFFFAOYSA-N 0 0 377.466 2.585 50 70 GFIARN O=C(CN1C(=O)CC2(CCCC2)C1=O)NCCn1ccc2c1cccc2Cl ZINC000218246548 570328796 /nfs/dbraw/zinc/32/87/96/570328796.db2.gz DRIPORSUGCFHJY-UHFFFAOYSA-N 0 0 387.867 2.730 50 70 GFIARN O=C(CN1c2cccnc2Sc2ccccc2C1=O)NCc1ccncc1 ZINC000218270636 570329549 /nfs/dbraw/zinc/32/95/49/570329549.db2.gz FOVXQQYYYJCGNO-UHFFFAOYSA-N 0 0 376.441 2.904 50 70 GFIARN COc1ccc(-c2n[nH]cc2C(=O)NCCc2nc3ccccc3n2C)cc1 ZINC000218442857 570334386 /nfs/dbraw/zinc/33/43/86/570334386.db2.gz LVGAKFVWGFYOKH-UHFFFAOYSA-N 0 0 375.432 2.945 50 70 GFIARN O=C(NCC[C@@H](O)c1ccsc1)C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000217543756 205937625 /nfs/dbraw/zinc/93/76/25/205937625.db2.gz JABOLQUJINRGOB-CYBMUJFWSA-N 0 0 388.367 2.825 50 70 GFIARN COc1ncccc1C(=O)Nc1ccccc1Cc1nc(-c2cnccn2)no1 ZINC000217487635 205938293 /nfs/dbraw/zinc/93/82/93/205938293.db2.gz IRKZKJCUUAQSEC-UHFFFAOYSA-N 0 0 388.387 2.773 50 70 GFIARN CS(=O)(=O)Cc1ccc(NC(=O)c2cnn(-c3ccccc3F)c2)cc1F ZINC000160335340 570253886 /nfs/dbraw/zinc/25/38/86/570253886.db2.gz BCUKUIZLQOJRCY-UHFFFAOYSA-N 0 0 391.399 2.947 50 70 GFIARN CCCOc1ccc(C(=O)N2CCN(Cc3nccn3C)CC2)cc1Cl ZINC000217483087 570317134 /nfs/dbraw/zinc/31/71/34/570317134.db2.gz KHKZHHNVTARXNJ-UHFFFAOYSA-N 0 0 376.888 2.820 50 70 GFIARN CC(C)[C@H](NC(=O)c1cc(F)ccc1-n1cnnn1)c1nc2ccccc2n1C ZINC000218222523 570328396 /nfs/dbraw/zinc/32/83/96/570328396.db2.gz UNBFZSWSKATRGI-SFHVURJKSA-N 0 0 393.426 2.815 50 70 GFIARN COCCn1c2ccccc2nc1[C@H](C)NC(=O)c1cc(-c2cccnc2)n[nH]1 ZINC000218301786 570330690 /nfs/dbraw/zinc/33/06/90/570330690.db2.gz LFCZXGFZHWPHOU-AWEZNQCLSA-N 0 0 390.447 2.959 50 70 GFIARN COc1ccc2c(O)c(C(=O)Nc3ccc(Cn4cncn4)cc3)cnc2c1 ZINC000218421405 570334159 /nfs/dbraw/zinc/33/41/59/570334159.db2.gz OQKJMWJPHPTGHO-UHFFFAOYSA-N 0 0 375.388 2.841 50 70 GFIARN COC(=O)C[C@@H](c1cccc2ccccc21)c1c(O)c(C(=O)OC)c[nH]c1=O ZINC000218573572 570337089 /nfs/dbraw/zinc/33/70/89/570337089.db2.gz MVGHCFVTCFRBCJ-HNNXBMFYSA-N 0 0 381.384 2.715 50 70 GFIARN CC(C)CCn1cnc2ccc(NC(=O)[C@H]3CC(=O)N(CC(C)C)C3)cc2c1=O ZINC000218599583 570337489 /nfs/dbraw/zinc/33/74/89/570337489.db2.gz HFXXOLUMIMWYPN-INIZCTEOSA-N 0 0 398.507 2.886 50 70 GFIARN COc1ccc(C(=O)N[C@H](CO)Cc2ccccc2)cc1-n1nc(C)cc1C ZINC000218350225 570821402 /nfs/dbraw/zinc/82/14/02/570821402.db2.gz MWKWXSKCNOMRSL-IBGZPJMESA-N 0 0 379.460 2.831 50 70 GFIARN CC(C)[C@H](NC(=O)c1ccc(-n2cnnn2)cc1)c1nc2ccccc2n1C ZINC000218350734 570332003 /nfs/dbraw/zinc/33/20/03/570332003.db2.gz XQCJEVNDXCTFKG-SFHVURJKSA-N 0 0 375.436 2.676 50 70 GFIARN CC[C@H](O)c1cc2n(n1)CCCN(C(=O)c1cnn(Cc3ccccc3)c1)C2 ZINC000218638387 570338311 /nfs/dbraw/zinc/33/83/11/570338311.db2.gz KMXVSVXEUZHVLP-FQEVSTJZSA-N 0 0 379.464 2.617 50 70 GFIARN COC(=O)[C@H]1C[C@@H](Oc2ccccc2F)CN1C(=O)Cc1cccc(OC)c1 ZINC000217883055 570476975 /nfs/dbraw/zinc/47/69/75/570476975.db2.gz KQLYCWPSVLAXGZ-SJLPKXTDSA-N 0 0 387.407 2.598 50 70 GFIARN O=C(CN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]21)NCc1ccco1 ZINC000217876994 205941523 /nfs/dbraw/zinc/94/15/23/205941523.db2.gz NBMGTKIYKWNRSE-FQEVSTJZSA-N 0 0 387.395 2.711 50 70 GFIARN COc1cc(OC)cc(C(=O)N[C@@H]2COCC[C@@H]2Oc2cccc(F)c2)c1 ZINC000218395969 570333212 /nfs/dbraw/zinc/33/32/12/570333212.db2.gz DFETXSJECYZAGV-MOPGFXCFSA-N 0 0 375.396 2.809 50 70 GFIARN Cn1c(CCCCCNC(=O)c2ccccc2-n2cnnn2)nc2ccccc21 ZINC000218563983 570336773 /nfs/dbraw/zinc/33/67/73/570336773.db2.gz VEOBNAPOPLJXEZ-UHFFFAOYSA-N 0 0 389.463 2.692 50 70 GFIARN Cc1cc(C)nc(N[C@H](Cc2ccccc2)C(=O)NCCc2ccncc2)n1 ZINC000218427976 231031332 /nfs/dbraw/zinc/03/13/32/231031332.db2.gz GFGJOTVYQZRVEJ-HXUWFJFHSA-N 0 0 375.476 2.871 50 70 GFIARN O=C(c1cnc2c(Cl)cccc2c1O)N1CCn2c(nnc2C(F)(F)F)C1 ZINC000218138691 570326017 /nfs/dbraw/zinc/32/60/17/570326017.db2.gz OEMFZCNZOFROSQ-UHFFFAOYSA-N 0 0 397.744 2.860 50 70 GFIARN CC(C)[C@H](NC(=O)Cn1cnc2sccc2c1=O)c1nc2ccccc2n1C ZINC000218463905 570334850 /nfs/dbraw/zinc/33/48/50/570334850.db2.gz KFWZYLKSELANSN-KRWDZBQOSA-N 0 0 395.488 2.858 50 70 GFIARN CC(C)[C@H](NC(=O)c1ccccc1-n1cnnn1)c1nc2ccccc2n1C ZINC000218518025 208836740 /nfs/dbraw/zinc/83/67/40/208836740.db2.gz UBIYSBFRSPLWAV-SFHVURJKSA-N 0 0 375.436 2.676 50 70 GFIARN Cc1cc(S(=O)(=O)NCC[C@H](O)C2CCOCC2)c(Cl)cc1Cl ZINC000217926029 553053226 /nfs/dbraw/zinc/05/32/26/553053226.db2.gz WVHQNJXUFJMTQS-AWEZNQCLSA-N 0 0 382.309 2.758 50 70 GFIARN O=C(COC[C@@H]1CCCCO1)N1CCN(c2nsc3ccccc32)CC1 ZINC000218409240 570333861 /nfs/dbraw/zinc/33/38/61/570333861.db2.gz BZBRCGFSAXKLGQ-HNNXBMFYSA-N 0 0 375.494 2.531 50 70 GFIARN Cc1cc(O)cc(=O)n1CCCC(=O)N1CCC[C@H]1c1nc2ccccc2n1C ZINC000218448007 570334395 /nfs/dbraw/zinc/33/43/95/570334395.db2.gz OYOAOSDRYDBMAS-IBGZPJMESA-N 0 0 394.475 2.893 50 70 GFIARN COCCn1c(C)cc(C)c(C(=O)NCCn2ccc3cc(OC)ccc32)c1=O ZINC000218506124 570335971 /nfs/dbraw/zinc/33/59/71/570335971.db2.gz YNYJNVJUAXDYNW-UHFFFAOYSA-N 0 0 397.475 2.505 50 70 GFIARN Cc1cccc(-c2n[nH]cc2C(=O)N[C@H](Cc2ccncc2)C2CC(O)C2)c1 ZINC000218712887 570339701 /nfs/dbraw/zinc/33/97/01/570339701.db2.gz XWGMDEIIBJYBRA-AFMYVXGZSA-N 0 0 376.460 2.892 50 70 GFIARN COc1ccc(-c2csc3ncc(C(=O)NCc4ccco4)c(=O)n23)cc1 ZINC000218363645 208836650 /nfs/dbraw/zinc/83/66/50/208836650.db2.gz ZMXNFPNPGNXGJF-UHFFFAOYSA-N 0 0 381.413 2.955 50 70 GFIARN CCS(=O)(=O)Nc1ccc(C(=O)NCc2cc3cc(OC)ccc3[nH]2)cc1 ZINC000218418187 208837018 /nfs/dbraw/zinc/83/70/18/208837018.db2.gz VKLMUXTZEZEABF-UHFFFAOYSA-N 0 0 387.461 2.868 50 70 GFIARN O=C(CCCCCn1nnc2ccccc2c1=O)Nc1ccc2[nH]cnc2c1 ZINC000218288384 570330169 /nfs/dbraw/zinc/33/01/69/570330169.db2.gz UVKDSILQRMDCOH-UHFFFAOYSA-N 0 0 376.420 2.867 50 70 GFIARN O=C(Nc1cnn(C[C@@H]2COc3ccccc3O2)c1)c1ccc2[nH]cnc2c1 ZINC000218250734 570818527 /nfs/dbraw/zinc/81/85/27/570818527.db2.gz QSJHRDOITTZURH-OAHLLOKOSA-N 0 0 375.388 2.852 50 70 GFIARN COc1cc2c(cc1OC)CN(C(=O)[C@@H](C)n1cnc3ccccc3c1=O)CC2 ZINC000218062886 222585195 /nfs/dbraw/zinc/58/51/95/222585195.db2.gz VVWBHBHGQHTYIE-CQSZACIVSA-N 0 0 393.443 2.560 50 70 GFIARN O=C(C[C@@H]1NC(=O)N(c2cccc3ccccc32)C1=O)NCCc1ccco1 ZINC000218432648 231030779 /nfs/dbraw/zinc/03/07/79/231030779.db2.gz ZKIYGFFRHJQWIS-KRWDZBQOSA-N 0 0 377.400 2.607 50 70 GFIARN O=C(NCc1ccc(Cl)cc1)N[C@@H]1COCC[C@H]1OCc1ccccn1 ZINC000218519148 208836158 /nfs/dbraw/zinc/83/61/58/208836158.db2.gz RSCAVDRYMVGNHB-QZTJIDSGSA-N 0 0 375.856 2.909 50 70 GFIARN Cc1cc(=O)[nH]c(S[C@@H](C)C(=O)N(C)Cc2cc(-c3ccccc3)on2)n1 ZINC000217152329 570313169 /nfs/dbraw/zinc/31/31/69/570313169.db2.gz BYZYJYOLWQBRMF-ZDUSSCGKSA-N 0 0 384.461 2.873 50 70 GFIARN O=C(CCc1cccnc1)N1CCn2nc([C@H](O)Cc3ccccc3)cc2C1 ZINC000218664791 570338680 /nfs/dbraw/zinc/33/86/80/570338680.db2.gz BDSJVXWELWCUAV-OAQYLSRUSA-N 0 0 376.460 2.529 50 70 GFIARN Cc1cccc(-c2n[nH]cc2C(=O)N[C@@H](Cc2ccncc2)C2CC(O)C2)c1 ZINC000218712815 570339642 /nfs/dbraw/zinc/33/96/42/570339642.db2.gz XWGMDEIIBJYBRA-QLOJAFMTSA-N 0 0 376.460 2.892 50 70 GFIARN Cc1cc(C(=O)N[C@@H](c2cnc3ccccc3c2)C2CC(O)C2)c(=O)[nH]c1C ZINC000218733666 570339956 /nfs/dbraw/zinc/33/99/56/570339956.db2.gz XZNNVDQJHKJUMZ-MKJPBZQASA-N 0 0 377.444 2.782 50 70 GFIARN O=C(NC1CCN(c2ccccc2)CC1)N1CCN(Cc2ccccn2)CC1 ZINC000159560009 231026545 /nfs/dbraw/zinc/02/65/45/231026545.db2.gz SHGMVNHYDXSHCZ-UHFFFAOYSA-N 0 0 379.508 2.578 50 70 GFIARN COCCn1c2ccccc2nc1[C@H](C)NC(=O)c1cc(-c2ccncc2)n[nH]1 ZINC000218243563 208835223 /nfs/dbraw/zinc/83/52/23/208835223.db2.gz XAFOBLJSHHISOU-AWEZNQCLSA-N 0 0 390.447 2.959 50 70 GFIARN O=C(c1cccc(N2CCOCC2)c1)N(Cc1ccncc1)C[C@H]1CCCO1 ZINC000218204350 136203677 /nfs/dbraw/zinc/20/36/77/136203677.db2.gz NVRLSEXONKZTFA-OAQYLSRUSA-N 0 0 381.476 2.740 50 70 GFIARN COc1cccc2c1ccn2CCNC(=O)c1cc(-n2cnnn2)ccc1Cl ZINC000218175859 570327254 /nfs/dbraw/zinc/32/72/54/570327254.db2.gz CXPMUTYHTGGTKV-UHFFFAOYSA-N 0 0 396.838 2.709 50 70 GFIARN Cc1cc(C)n(-c2ccc(C(=O)Nc3ccccc3N(C)S(C)(=O)=O)cn2)n1 ZINC000161446301 208712313 /nfs/dbraw/zinc/71/23/13/208712313.db2.gz UVJXQEDDZLULLW-UHFFFAOYSA-N 0 0 399.476 2.532 50 70 GFIARN Cc1noc(C)c1CO[C@@H]1COCC[C@H]1NC(=O)COc1ccc(Cl)cc1 ZINC000218702237 208837552 /nfs/dbraw/zinc/83/75/52/208837552.db2.gz CVJXGIRTUYQWJE-QZTJIDSGSA-N 0 0 394.855 2.814 50 70 GFIARN O=C1OC2(CCN(S(=O)(=O)Cc3cc(F)ccc3F)CC2)c2ccccc21 ZINC000217548169 570314152 /nfs/dbraw/zinc/31/41/52/570314152.db2.gz BVSUFWPDAADECL-UHFFFAOYSA-N 0 0 393.411 2.956 50 70 GFIARN O=C(COC[C@H]1CCCCO1)N1CCN(c2nsc3ccccc32)CC1 ZINC000218409329 570333757 /nfs/dbraw/zinc/33/37/57/570333757.db2.gz BZBRCGFSAXKLGQ-OAHLLOKOSA-N 0 0 375.494 2.531 50 70 GFIARN COc1ccc(CN2CCN(C(=O)[C@@H]3CCc4ccccc4C3)CC2=O)cc1 ZINC000218763096 570340648 /nfs/dbraw/zinc/34/06/48/570340648.db2.gz JESITICDDMIBKL-HXUWFJFHSA-N 0 0 378.472 2.671 50 70 GFIARN CO[C@H](CNC(=O)c1ccc(S(=O)(=O)N(C)C)cc1)c1ccccc1Cl ZINC000218323704 570820556 /nfs/dbraw/zinc/82/05/56/570820556.db2.gz PNRHHSVOYFKWIT-QGZVFWFLSA-N 0 0 396.896 2.708 50 70 GFIARN O=C(CN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]21)NCc1cccnc1 ZINC000217680385 208830099 /nfs/dbraw/zinc/83/00/99/208830099.db2.gz JOGIPOSOJAQTLZ-NRFANRHFSA-N 0 0 398.422 2.513 50 70 GFIARN CC(C)C[C@H](NC(=O)CCCNC(=O)c1cnccn1)c1nc2ccccc2[nH]1 ZINC000218430993 528561784 /nfs/dbraw/zinc/56/17/84/528561784.db2.gz SHTDKJSHIDODME-KRWDZBQOSA-N 0 0 394.479 2.767 50 70 GFIARN Cn1ccc2c1cccc2NC(=O)CC[C@@H]1NC(=O)N(Cc2ccco2)C1=O ZINC000218322802 570331148 /nfs/dbraw/zinc/33/11/48/570331148.db2.gz CZKBWUZYYFXVHI-INIZCTEOSA-N 0 0 380.404 2.611 50 70 GFIARN O=C(Cn1cnc2sccc2c1=O)NCCc1nc(-c2ccccc2)cs1 ZINC000218422326 570333963 /nfs/dbraw/zinc/33/39/63/570333963.db2.gz LNNKBFVXQRTTOW-UHFFFAOYSA-N 0 0 396.497 2.940 50 70 GFIARN COc1ccc2[nH]c3c(c2c1)CCC[C@@H]3NC(=O)c1cccc(-n2cnnn2)c1 ZINC000218491631 570335437 /nfs/dbraw/zinc/33/54/37/570335437.db2.gz BBKPAIWNCHEKGT-IBGZPJMESA-N 0 0 388.431 2.960 50 70 GFIARN COc1ccc(S(=O)(=O)NCCn2nc(-c3ccncc3)cc2C)cc1C ZINC000217871219 208832008 /nfs/dbraw/zinc/83/20/08/208832008.db2.gz HCBFAASNMSLXLA-UHFFFAOYSA-N 0 0 386.477 2.549 50 70 GFIARN O=C(CN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]21)NCc1ccccn1 ZINC000217773277 208830316 /nfs/dbraw/zinc/83/03/16/208830316.db2.gz OKLICIDKMKZLPZ-NRFANRHFSA-N 0 0 398.422 2.513 50 70 GFIARN CC(C)[C@H](NC(=O)Cn1nc2c(cc1=O)CCCC2)c1nc2ccccc2n1C ZINC000218222041 208834544 /nfs/dbraw/zinc/83/45/44/208834544.db2.gz FXOOFPBACDMRRC-NRFANRHFSA-N 0 0 393.491 2.522 50 70 GFIARN O=S(=O)(N[C@@H](Cc1ccncc1)C1CC(O)C1)c1ccc(F)cc1Cl ZINC000218358008 553053544 /nfs/dbraw/zinc/05/35/44/553053544.db2.gz TVGMWASYTRAFHH-PXCJXSSVSA-N 0 0 384.860 2.535 50 70 GFIARN CN(Cc1cc(-c2ccncc2)no1)C(=O)CN1CCOc2ccccc2C1 ZINC000218078191 570325082 /nfs/dbraw/zinc/32/50/82/570325082.db2.gz NVXFOVDLYHUCRP-UHFFFAOYSA-N 0 0 378.432 2.590 50 70 GFIARN CCOC(=O)Cc1csc(NC(=O)c2cnc3ccc(F)cc3c2O)n1 ZINC000218148842 570326310 /nfs/dbraw/zinc/32/63/10/570326310.db2.gz PCZTUEVFVSUHNE-UHFFFAOYSA-N 0 0 375.381 2.894 50 70 GFIARN COC(=O)C[C@H](c1cc2c(cc1O)OCO2)c1cc(OC)c(OC)cc1OC ZINC000218105266 222585548 /nfs/dbraw/zinc/58/55/48/222585548.db2.gz ZZMSQECGULPCBN-LLVKDONJSA-N 0 0 390.388 2.842 50 70 GFIARN O=C(NCC[C@H](O)c1ccsc1)C(=O)Nc1ccc(OC(F)(F)F)cc1 ZINC000217543658 208829225 /nfs/dbraw/zinc/82/92/25/208829225.db2.gz JABOLQUJINRGOB-ZDUSSCGKSA-N 0 0 388.367 2.825 50 70 GFIARN COc1ccc2c(c1OC)C(=O)O[C@@H]2CC(=O)Nc1cccc(NC(C)=O)c1 ZINC000218278390 208834710 /nfs/dbraw/zinc/83/47/10/208834710.db2.gz 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O=C(NCC1(c2ccccc2)CCCC1)[C@@H]1Cc2ccccc2S(=O)(=O)N1 ZINC000216997327 570310624 /nfs/dbraw/zinc/31/06/24/570310624.db2.gz VYKMFLXOHADXOX-SFHVURJKSA-N 0 0 384.501 2.518 50 70 GFIARN O=C(C[C@H]1C=CS(=O)(=O)C1)NCc1cc(COc2ccccc2)cs1 ZINC000216995364 570310676 /nfs/dbraw/zinc/31/06/76/570310676.db2.gz OQKLNXWUUSOLNA-CQSZACIVSA-N 0 0 377.487 2.892 50 70 GFIARN O=c1cc(CN2CCCCC2)oc(CN2CCO[C@H](c3ccccc3)C2)c1O ZINC000218349295 570331910 /nfs/dbraw/zinc/33/19/10/570331910.db2.gz PIQUZNWWIFFQTB-FQEVSTJZSA-N 0 0 384.476 2.905 50 70 GFIARN COC(=O)C[C@@H](c1cc(OC)c(OC)c(OC)c1)c1cc2c(cc1O)OCO2 ZINC000218071432 209186119 /nfs/dbraw/zinc/18/61/19/209186119.db2.gz AHIWLBZOEKLGMM-LBPRGKRZSA-N 0 0 390.388 2.842 50 70 GFIARN COc1ccc2c(ccn2CCNC(=O)CC2(Cn3cnnn3)CCCCC2)c1 ZINC000218478557 211761884 /nfs/dbraw/zinc/76/18/84/211761884.db2.gz YDTMWVGNGKIMFE-UHFFFAOYSA-N 0 0 396.495 2.793 50 70 GFIARN Cc1cc(O[C@H]2CCN(C(=O)c3ccccc3Br)C2)cc(=O)n1C ZINC000217773603 211752974 /nfs/dbraw/zinc/75/29/74/211752974.db2.gz 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CO[C@@H](CNC(=O)c1ccc(S(=O)(=O)N(C)C)cc1)c1ccccc1Cl ZINC000218323620 211759507 /nfs/dbraw/zinc/75/95/07/211759507.db2.gz PNRHHSVOYFKWIT-KRWDZBQOSA-N 0 0 396.896 2.708 50 70 GFIARN O=C(NCCSc1ccccc1)[C@@H]1CC(=O)N(CCc2ccc(O)cc2)C1 ZINC000218151714 570326567 /nfs/dbraw/zinc/32/65/67/570326567.db2.gz OWKYITBSORKZAE-QGZVFWFLSA-N 0 0 384.501 2.692 50 70 GFIARN COCCn1c(CNC(=O)Cc2ccc3c(c2)OCCCO3)nc2ccccc21 ZINC000218225832 570328272 /nfs/dbraw/zinc/32/82/72/570328272.db2.gz ABGFKUWGPAFPHX-UHFFFAOYSA-N 0 0 395.459 2.703 50 70 GFIARN CC(C)[C@H](NC(=O)c1cnc2sccn2c1=O)c1nc2ccccc2n1C ZINC000218274917 570329392 /nfs/dbraw/zinc/32/93/92/570329392.db2.gz DJDUBKWPSKMHJH-HNNXBMFYSA-N 0 0 381.461 2.770 50 70 GFIARN O=C(CN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@@H]21)Nc1ccccn1 ZINC000217748593 211752400 /nfs/dbraw/zinc/75/24/00/211752400.db2.gz FOIPMBFNXJRQQJ-HXUWFJFHSA-N 0 0 384.395 2.835 50 70 GFIARN COc1ccc2c(c1OC)C(=O)O[C@H]2CC(=O)Nc1cccc(-n2cnnc2)c1 ZINC000218263116 570329018 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Cc1c(NC(=O)NC[C@@]2(CCO)CCOC2)cnn1-c1cccc(Cl)c1 ZINC000161058241 570495233 /nfs/dbraw/zinc/49/52/33/570495233.db2.gz YUEFYUQKIJFBTQ-GOSISDBHSA-N 0 0 378.860 2.745 50 70 GFIARN O=C(CN1C(=O)c2ccccc2N2C(=O)c3ccccc3[C@H]21)Nc1ccncc1 ZINC000217694365 211751490 /nfs/dbraw/zinc/75/14/90/211751490.db2.gz IAHRBRIXJLLXGL-FQEVSTJZSA-N 0 0 384.395 2.835 50 70 GFIARN O=C(C[C@@H]1NC(=O)N(Cc2cccc(F)c2)C1=O)Nc1cccc2ncccc21 ZINC000218277222 570329420 /nfs/dbraw/zinc/32/94/20/570329420.db2.gz QFTUJYBFORZEIG-SFHVURJKSA-N 0 0 392.390 2.823 50 70 GFIARN COCCn1c2ccccc2nc1[C@H](C)NC(=O)c1ccc2c(c1)NC(=O)CO2 ZINC000218355375 570332533 /nfs/dbraw/zinc/33/25/33/570332533.db2.gz KQOGEMOVZMKOLO-ZDUSSCGKSA-N 0 0 394.431 2.505 50 70 GFIARN O=C(Cc1ccccc1OCc1ccccc1)N1CCn2nc(CO)cc2C1 ZINC000218547281 570336630 /nfs/dbraw/zinc/33/66/30/570336630.db2.gz OYUXHJOWBTZITJ-UHFFFAOYSA-N 0 0 377.444 2.539 50 70 GFIARN COC(=O)[C@H](C)NC(=O)c1cnn(-c2ccc(Cl)cc2F)c1-n1cccc1 ZINC000218270289 570818877 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CC(C)(C)N1C[C@H](C(=O)Nc2n[nH]c(CCc3c[nH]c4ccccc34)n2)CC1=O ZINC000218477243 570335076 /nfs/dbraw/zinc/33/50/76/570335076.db2.gz BTYJKCDQBNDQKP-CQSZACIVSA-N 0 0 394.479 2.657 50 70 GFIARN Cc1ccc(-c2cc(C(=O)N3CCCn4nc([C@H](O)C5CC5)cc4C3)[nH]n2)o1 ZINC000218600901 570337506 /nfs/dbraw/zinc/33/75/06/570337506.db2.gz HEAOEAIYQKCLRK-LJQANCHMSA-N 0 0 381.436 2.664 50 70 GFIARN Cc1cc(OC2CCN(C(=O)COc3ccc(Cl)cc3)CC2)cc(=O)n1C ZINC000217776865 570975906 /nfs/dbraw/zinc/97/59/06/570975906.db2.gz XPAHQHARVKTBPO-UHFFFAOYSA-N 0 0 390.867 2.796 50 70 GFIARN O=S(=O)(NCC[C@H](O)c1ccsc1)c1ccc(Br)s1 ZINC000217539453 222579687 /nfs/dbraw/zinc/57/96/87/222579687.db2.gz BFGYVRJKVFVVNC-VIFPVBQESA-N 0 0 382.326 2.974 50 70 GFIARN C[C@](O)(CNC(=O)C(=O)NCc1ccc(F)cc1)c1cc2ccccc2s1 ZINC000217518524 222580696 /nfs/dbraw/zinc/58/06/96/222580696.db2.gz KTNPXGPNRYOORL-FQEVSTJZSA-N 0 0 386.448 2.681 50 70 GFIARN COC(=O)C[C@H](c1ccc(-c2ccccc2)o1)c1c(=O)[nH]cc(C(=O)OC)c1O ZINC000218014676 212113689 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CC(C)(C)N1C[C@@H](C(=O)Nc2n[nH]c(CCc3c[nH]c4ccccc34)n2)CC1=O ZINC000218477328 570335310 /nfs/dbraw/zinc/33/53/10/570335310.db2.gz BTYJKCDQBNDQKP-AWEZNQCLSA-N 0 0 394.479 2.657 50 70 GFIARN C[C@H](C(=O)Nc1nnc(CCC2CCCC2)[nH]1)n1cnc2ccccc2c1=O ZINC000218519768 570335948 /nfs/dbraw/zinc/33/59/48/570335948.db2.gz MEEDLRIVMRQAIR-CYBMUJFWSA-N 0 0 380.452 2.837 50 70 GFIARN Cc1cc(C(=O)N[C@H](c2cnc3ccccc3c2)C2CC(O)C2)c(=O)[nH]c1C ZINC000218733737 570339987 /nfs/dbraw/zinc/33/99/87/570339987.db2.gz XZNNVDQJHKJUMZ-LAGYLCCXSA-N 0 0 377.444 2.782 50 70 GFIARN O=C(Nc1cnn(C[C@H]2COc3ccccc3O2)c1)c1ccc2[nH]cnc2c1 ZINC000218250665 570818478 /nfs/dbraw/zinc/81/84/78/570818478.db2.gz QSJHRDOITTZURH-HNNXBMFYSA-N 0 0 375.388 2.852 50 70 GFIARN CC(C)N1C(=O)c2ccccc2N2C(=O)CC[C@@]21C(=O)Nc1ccc(O)cc1 ZINC000217984574 212112562 /nfs/dbraw/zinc/11/25/62/212112562.db2.gz POHIEKSTRFVMPO-NRFANRHFSA-N 0 0 379.416 2.718 50 70 GFIARN COc1ccc2c(c1OC)C(=O)O[C@@H]2CC(=O)Nc1cccc(-n2cnnc2)c1 ZINC000218263048 570329121 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