smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CC(=O)Nc1ccc(C(=O)NC[C@@H]2C=C(C)[C@H](CC(=O)N3CCN(C(C)=O)CC3)C[C@H]2C(C)C)cc1 ZINC000030879866 291492744 /nfs/dbraw/zinc/49/27/44/291492744.db2.gz BOSYPKZYCXNERA-GNKBHMEESA-N 0 0 496.652 3.310 40 0 biogenic,in-vitro JGABRN CS(=O)(=O)c1ccc(CN2C[C@H](O)C[C@H]2c2nc(Cc3ccc(F)cc3Cl)no2)cc1 ZINC000015675156 291500193 /nfs/dbraw/zinc/50/01/93/291500193.db2.gz FWTLTBUNUUQBEM-APWZRJJASA-N 0 0 465.934 3.164 40 0 biogenic,in-vitro JGABRN COC(=O)c1ccccc1NC(=O)CSc1nnc2c(C)cc3cc4c(cc3n12)OCCO4 ZINC000000877414 193940166 /nfs/dbraw/zinc/94/01/66/193940166.db2.gz DOXGBVQENKUATH-UHFFFAOYSA-N 0 0 464.503 3.480 40 0 JGABRN Cc1ccccc1N(CC(=O)NC1CCCCC1)C(=O)Cn1nnc(-c2ccc(F)cc2)n1 ZINC000000903692 193958373 /nfs/dbraw/zinc/95/83/73/193958373.db2.gz NHLDNXVSGQWEMX-UHFFFAOYSA-N 0 0 450.518 3.270 40 0 JGABRN CCN(CC)S(=O)(=O)c1ccc(-c2nnc(SCC(=O)NCCc3ccccc3)o2)cc1 ZINC000000922236 193973132 /nfs/dbraw/zinc/97/31/32/193973132.db2.gz DOMHEYWZCLMSDX-UHFFFAOYSA-N 0 0 474.608 3.218 40 0 JGABRN O=C(CSc1nc2ccc(N3C(=O)c4ccccc4C3=O)cc2s1)NC[C@H]1CCCO1 ZINC000001087433 194021127 /nfs/dbraw/zinc/02/11/27/194021127.db2.gz IMALZQKEWWFIOO-CQSZACIVSA-N 0 0 453.545 3.484 40 0 JGABRN CCOc1cc(S(=O)(=O)N2CC=C(c3ccc(F)cc3)CC2)c(OCC)cc1-n1cnnn1 ZINC000001325316 194086497 /nfs/dbraw/zinc/08/64/97/194086497.db2.gz FXFQRHLCDVQUNC-UHFFFAOYSA-N 0 0 473.530 3.077 40 0 JGABRN O=C(CSc1nnc2n(CC(=O)N3CCCC3)c3ccccc3n12)Nc1cccc(F)c1 ZINC000001325750 194086780 /nfs/dbraw/zinc/08/67/80/194086780.db2.gz ZHAAZNVJWOATHM-UHFFFAOYSA-N 0 0 452.515 3.176 40 0 JGABRN O=S(=O)(NC1CCCC1)c1ccc(S(=O)(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)cc1 ZINC000001327699 194087996 /nfs/dbraw/zinc/08/79/96/194087996.db2.gz LANVGBPLFBQZIF-UHFFFAOYSA-N 0 0 488.635 3.352 40 0 JGABRN Cc1ccc(S(=O)(=O)N(Cc2cc3cc(C)c(C)cc3[nH]c2=O)C[C@H]2COCCO2)cc1 ZINC000001335219 194093904 /nfs/dbraw/zinc/09/39/04/194093904.db2.gz QHHVGCMYRAEIJF-NRFANRHFSA-N 0 0 456.564 3.060 40 0 JGABRN O=C(Cn1nnc2ccccc21)N(Cc1ccco1)[C@@H](C(=O)NCc1ccco1)c1ccco1 ZINC000001339234 194096048 /nfs/dbraw/zinc/09/60/48/194096048.db2.gz WRHRHRRXYCTNMJ-HSZRJFAPSA-N 0 0 459.462 3.297 40 0 JGABRN CCc1cccc(C)c1NC(=O)CSc1nnc(CNS(=O)(=O)c2ccc(C)cc2)n1C ZINC000001341244 194097998 /nfs/dbraw/zinc/09/79/98/194097998.db2.gz VSBRJTXLVPROFV-UHFFFAOYSA-N 0 0 473.624 3.204 40 0 JGABRN O=C(Cc1ccccc1)N1CCC[C@@H](c2nc3c(nnn3Cc3cccc(Cl)c3)c(=O)[nH]2)C1 ZINC000001352119 194099819 /nfs/dbraw/zinc/09/98/19/194099819.db2.gz NKNUHJRDFCTELD-GOSISDBHSA-N 0 0 462.941 3.165 40 0 JGABRN O=C(CN(C1CC1)S(=O)(=O)c1ccc(S(=O)(=O)NC2CCCCC2)cc1)Nc1ccccc1 ZINC000001333425 194091770 /nfs/dbraw/zinc/09/17/70/194091770.db2.gz FTNLWFHVKCMSJG-UHFFFAOYSA-N 0 0 491.635 3.089 40 0 JGABRN Cc1ccc(Cn2nnc3c2nc([C@@H]2CCCN(C(=O)c4ccc(F)cc4F)C2)[nH]c3=O)cc1 ZINC000001334072 194092993 /nfs/dbraw/zinc/09/29/93/194092993.db2.gz IKURXJVWPCFLHJ-MRXNPFEDSA-N 0 0 464.476 3.169 40 0 JGABRN O=C(NC1CCCCC1)N1CCC[C@H](c2nc3c(nnn3Cc3ccccc3Cl)c(=O)[nH]2)C1 ZINC000001334807 194093282 /nfs/dbraw/zinc/09/32/82/194093282.db2.gz JWMZGARGSJIOHI-INIZCTEOSA-N 0 0 469.977 3.438 40 0 JGABRN COc1ccc(-c2nsc3c2ncnc3N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)cc1 ZINC000001370816 194104776 /nfs/dbraw/zinc/10/47/76/194104776.db2.gz XLBJYKLNGQDZSD-UHFFFAOYSA-N 0 0 485.566 3.412 40 0 JGABRN COc1ccc(NC(=O)Cn2nnc(-c3ccccc3NC(=O)COc3ccc(F)cc3)n2)cc1 ZINC000001372817 194106406 /nfs/dbraw/zinc/10/64/06/194106406.db2.gz DEUTVKPJRYKQMD-UHFFFAOYSA-N 0 0 476.468 3.144 40 0 JGABRN O=c1[nH]c2cc3c(cc2cc1CN(Cc1nnnn1Cc1ccc(F)cc1)C1CCCC1)OCCO3 ZINC000001373944 194107992 /nfs/dbraw/zinc/10/79/92/194107992.db2.gz RLCAPSJGPMJMDM-UHFFFAOYSA-N 0 0 490.539 3.418 40 0 JGABRN CCOC(=O)Cn1nnnc1[C@H](CC)N(Cc1ccco1)Cc1cc2ccc(C)c(C)c2[nH]c1=O ZINC000001375462 194110279 /nfs/dbraw/zinc/11/02/79/194110279.db2.gz WPMPXCUNUVAPCE-NRFANRHFSA-N 0 0 478.553 3.441 40 0 JGABRN COc1ccc(C(=O)Nc2ccc(-c3nnn(CC(=O)Nc4cccc(C(C)=O)c4)n3)cc2)cc1 ZINC000001358038 194101481 /nfs/dbraw/zinc/10/14/81/194101481.db2.gz LWQSAMBFUXOKSP-UHFFFAOYSA-N 0 0 470.489 3.442 40 0 JGABRN COc1cc(OC)cc(C(=O)Nc2ccccc2-c2nnn(CC(=O)Nc3ccccc3)n2)c1 ZINC000001361757 194102384 /nfs/dbraw/zinc/10/23/84/194102384.db2.gz RZGCBPDYLHBVFD-UHFFFAOYSA-N 0 0 458.478 3.248 40 0 JGABRN COc1cc(-c2noc([C@H]3CCCN(S(=O)(=O)c4ccccc4)C3)n2)cc(OC)c1OC ZINC000001364059 194102896 /nfs/dbraw/zinc/10/28/96/194102896.db2.gz CSVYJPAWQFSABP-HNNXBMFYSA-N 0 0 459.524 3.331 40 0 JGABRN COc1ccc(S(=O)(=O)N2CCC[C@H](c3nc(-c4cc(OC)c(OC)c(OC)c4)no3)C2)cc1 ZINC000001364098 194102912 /nfs/dbraw/zinc/10/29/12/194102912.db2.gz MPQRIDPCTHFLIM-HNNXBMFYSA-N 0 0 489.550 3.339 40 0 JGABRN Nc1nc2c(ncn2CCOCP(=O)(OCC(F)(F)F)OCC(F)(F)F)c(Cl)n1 ZINC000001541326 194127600 /nfs/dbraw/zinc/12/76/00/194127600.db2.gz CVDCXDKZPDUEIJ-UHFFFAOYSA-N 0 0 471.682 3.387 40 0 JGABRN O=C1Nc2ccc(-c3ccccc3F)cc2C(=O)N2CC[C@H](NS(=O)(=O)c3cccs3)[C@@H]12 ZINC000003839510 194362749 /nfs/dbraw/zinc/36/27/49/194362749.db2.gz YMZAXBLHLKHQNI-ICSRJNTNSA-N 0 0 471.535 3.068 40 0 biogenic,in-vitro JGABRN Cc1ccc(N(C(=O)CNC(=O)c2ccco2)[C@@H](C(=O)NC[C@@H]2CCCO2)c2ccccc2)cc1 ZINC000004410680 194389369 /nfs/dbraw/zinc/38/93/69/194389369.db2.gz LIEWIHPFPNEBSI-WIOPSUGQSA-N 0 0 475.545 3.388 40 0 JGABRN CCOC(=O)CN(C(=O)CSc1nnc(-c2ccc(OC)c(OC)c2)o1)c1ccccc1 ZINC000004374873 194388555 /nfs/dbraw/zinc/38/85/55/194388555.db2.gz YIHJRQHPXXUKIX-UHFFFAOYSA-N 0 0 457.508 3.442 40 0 JGABRN O=C(CNC(=O)c1ccco1)N(c1ccc(F)cc1)[C@@H](C(=O)NC[C@H]1CCCO1)c1ccccc1 ZINC000004388808 194388848 /nfs/dbraw/zinc/38/88/48/194388848.db2.gz LFBKBBRLFDWXNQ-ZJSXRUAMSA-N 0 0 479.508 3.218 40 0 JGABRN CC(C)(C)NC(=O)[C@H](c1cccs1)N(C[C@@H]1CCCO1)C(=O)Cn1nnc(-c2cccs2)n1 ZINC000004388752 194388854 /nfs/dbraw/zinc/38/88/54/194388854.db2.gz VAHYZGFMFPIBCV-KXBFYZLASA-N 0 0 488.639 3.127 40 0 JGABRN CC(C)(C)NC(=O)[C@@H](c1cccs1)N(C[C@H]1CCCO1)C(=O)Cn1nnc(-c2cccs2)n1 ZINC000004388753 194388871 /nfs/dbraw/zinc/38/88/71/194388871.db2.gz VAHYZGFMFPIBCV-DNVCBOLYSA-N 0 0 488.639 3.127 40 0 JGABRN COCCNC(=O)[C@H](c1cccs1)N(C(=O)Cn1nnc2ccccc21)c1cccc(C)c1 ZINC000004400414 194389112 /nfs/dbraw/zinc/38/91/12/194389112.db2.gz HVXTYKCJLGMSOL-QHCPKHFHSA-N 0 0 463.563 3.338 40 0 JGABRN CCOC(=O)c1c(C)c(C)sc1NC(=O)CSc1nnnn1-c1ccc2c(c1)OCCO2 ZINC000004411260 194389610 /nfs/dbraw/zinc/38/96/10/194389610.db2.gz FOWPULQWKRBXLG-UHFFFAOYSA-N 0 0 475.552 3.019 40 0 JGABRN CCC[C@@H](C(=O)NCCC(C)C)N(C(=O)c1snc(C(N)=O)c1N)c1ccccc1OCC ZINC000006501206 194429549 /nfs/dbraw/zinc/42/95/49/194429549.db2.gz BJALDNRBKXXZKS-INIZCTEOSA-N 0 0 475.615 3.201 40 0 JGABRN CCC[C@H](C(=O)NC1CCCC1)N(C(=O)c1snc(C(N)=O)c1N)c1ccc(C)cc1C ZINC000006501409 194429697 /nfs/dbraw/zinc/42/96/97/194429697.db2.gz DRTXYSZTHGOJII-QGZVFWFLSA-N 0 0 457.600 3.315 40 0 JGABRN CC[C@H](C(=O)NC1CCCC1)N(C(=O)Cn1nnc(-c2ccc(C)o2)n1)c1ccc(F)cc1 ZINC000006821025 194434696 /nfs/dbraw/zinc/43/46/96/194434696.db2.gz VBYOMDWBQVKSQD-LJQANCHMSA-N 0 0 454.506 3.251 40 0 JGABRN CCOc1ccccc1N(C(=O)c1snc(C(N)=O)c1N)[C@H](CC(C)C)C(=O)NC1CCCC1 ZINC000006631448 194433549 /nfs/dbraw/zinc/43/35/49/194433549.db2.gz SKWUUMPYVOMVSF-QGZVFWFLSA-N 0 0 487.626 3.343 40 0 JGABRN CCC(C)(C)NC(=O)[C@H](c1ccc(F)cc1)N(CCOC)C(=O)CCC(=O)Nc1ccccn1 ZINC000008994941 194499884 /nfs/dbraw/zinc/49/98/84/194499884.db2.gz BUSJYJQSNCXPND-QHCPKHFHSA-N 0 0 472.561 3.461 40 0 JGABRN COc1cccc2c1O[C@@]1(C)C[C@@H]2[C@H](S(=O)(=O)c2ccc(Br)cc2)C(=O)N1 ZINC000009407629 194749054 /nfs/dbraw/zinc/74/90/54/194749054.db2.gz QNXDJEHUOSULOY-FNHZYXHNSA-N 0 0 452.326 3.012 40 0 JGABRN C[C@@H](OC(=O)[C@@H]1CS[C@@]2(C)CCC(=O)N12)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC000009882242 195010301 /nfs/dbraw/zinc/01/03/01/195010301.db2.gz UDADILNYYYTZJF-YERPZDBWSA-N 0 0 467.519 3.413 40 0 JGABRN CCOC(=O)c1c(C)c(C(C)=O)sc1NC(=O)CSc1nnnn1-c1ccccc1F ZINC000012636844 195068224 /nfs/dbraw/zinc/06/82/24/195068224.db2.gz CAIBPMZPMOBAAT-UHFFFAOYSA-N 0 0 463.516 3.281 40 0 JGABRN CCOC(=O)CNC(=O)CSc1nnc2c3c4c(sc3ncn12)C[C@@H](C(C)(C)C)CC4 ZINC000012640766 195070495 /nfs/dbraw/zinc/07/04/95/195070495.db2.gz BHGKSGVARQITDL-LBPRGKRZSA-N 0 0 461.613 3.261 40 0 JGABRN CC(C)(C)NC(=O)[C@H](c1ccco1)N(C(=O)C(=O)NC1CCCC1)c1ccc2c(c1)OCCO2 ZINC000012640999 195070783 /nfs/dbraw/zinc/07/07/83/195070783.db2.gz IZFOJYLRVBSDKY-NRFANRHFSA-N 0 0 469.538 3.099 40 0 JGABRN O=C(NC1CC1)c1ccc(S(=O)(=O)N2CCC(NC(=O)C34CC5CC(CC(C5)C3)C4)CC2)cc1 ZINC000012645610 195074159 /nfs/dbraw/zinc/07/41/59/195074159.db2.gz BRVSDIIQQDDEIA-UHFFFAOYSA-N 0 0 485.650 3.065 40 0 JGABRN C[C@H](C(=O)NC1CCCC1)N(C(=O)Cn1nnc(-c2ccc(F)cc2)n1)c1ccccc1F ZINC000012701421 195091497 /nfs/dbraw/zinc/09/14/97/195091497.db2.gz YQOKZFJYIQVYFU-OAHLLOKOSA-N 0 0 454.481 3.099 40 0 JGABRN Cc1cccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](CC(C)C)C(=O)NC2CCCC2)c1 ZINC000012701812 195091649 /nfs/dbraw/zinc/09/16/49/195091649.db2.gz XJJGDPSKQUIKDD-KRWDZBQOSA-N 0 0 457.600 3.253 40 0 JGABRN Cc1cccc(N(C(=O)c2snc(C(N)=O)c2N)[C@@H](C(=O)NC(C)(C)C)c2cccs2)c1 ZINC000012711492 195095196 /nfs/dbraw/zinc/09/51/96/195095196.db2.gz LARQWCLWZPODQO-QGZVFWFLSA-N 0 0 471.608 3.497 40 0 JGABRN C[C@@H]1CCCN([C@@H](c2nnnn2Cc2ccccc2)c2cc3cc4c(cc3[nH]c2=O)OCCO4)C1 ZINC000012713592 195096281 /nfs/dbraw/zinc/09/62/81/195096281.db2.gz BWICEMGISGMMBC-MZNJEOGPSA-N 0 0 472.549 3.155 40 0 JGABRN Cc1ccc([C@H](C(=O)NC2CCCC2)N(Cc2ccc(F)cc2)C(=O)c2snc(C(N)=O)c2N)o1 ZINC000012714702 195096639 /nfs/dbraw/zinc/09/66/39/195096639.db2.gz VPRYOBWNOHRZGS-HXUWFJFHSA-N 0 0 499.568 3.307 40 0 JGABRN Cc1ccc([C@H](C(=O)NC2CCCC2)N(C(=O)c2snc(C(N)=O)c2N)c2ccc(C)cc2)o1 ZINC000012714555 195096653 /nfs/dbraw/zinc/09/66/53/195096653.db2.gz CTBSWLOTQUKUIK-HXUWFJFHSA-N 0 0 481.578 3.481 40 0 JGABRN Cc1nnn(C23C[C@@H]4C[C@@H](CC(c5nc6c7cnn(-c8ccccc8)c7ncn6n5)(C4)C2)C3)n1 ZINC000020608407 195182026 /nfs/dbraw/zinc/18/20/26/195182026.db2.gz FNIANQJRSBFVLK-UPFYTXMWSA-N 0 0 452.526 3.005 40 0 JGABRN CCOc1ccc(Cl)cc1S(=O)(=O)NCc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000020768668 195223554 /nfs/dbraw/zinc/22/35/54/195223554.db2.gz MRLPUJKTDOKPNA-UHFFFAOYSA-N 0 0 458.989 3.002 40 0 JGABRN Cc1ccccc1-n1c2nnc(SCC(=O)Nc3sccc3C(N)=O)n2c2ccccc2c1=O ZINC000020972947 195258111 /nfs/dbraw/zinc/25/81/11/195258111.db2.gz KQTNBLOQDZYNOH-UHFFFAOYSA-N 0 0 490.570 3.233 40 0 JGABRN COC(=O)c1cc(NC(=O)CN(c2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc(C(=O)OC)c1 ZINC000020923347 195248640 /nfs/dbraw/zinc/24/86/40/195248640.db2.gz XEPRMNGMUOSQBW-UHFFFAOYSA-N 0 0 496.541 3.402 40 0 JGABRN Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1S(=O)(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000021010344 195266247 /nfs/dbraw/zinc/26/62/47/195266247.db2.gz MRUMUROYSAFZTD-GFCCVEGCSA-N 0 0 471.910 3.333 40 0 JGABRN CCOC(=O)C1CCN([C@@H](c2nnnn2Cc2ccccc2)c2cc3cccc(C)c3[nH]c2=O)CC1 ZINC000057589714 195351796 /nfs/dbraw/zinc/35/17/96/195351796.db2.gz WDOFGEICPRFSSL-XMMPIXPASA-N 0 0 486.576 3.236 40 0 JGABRN CCOC(=O)C1CCN([C@H](c2nnnn2C2CCCC2)c2cc3cccc(C)c3[nH]c2=O)CC1 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JWFLDUCJFJJVDH-MRXNPFEDSA-N 0 0 483.993 3.189 40 0 JGABRN CSc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](C)c3ccc(S(C)(=O)=O)cc3)CC2)cc1 ZINC000223875227 569925859 /nfs/dbraw/zinc/92/58/59/569925859.db2.gz NTQDFZAIQWFRAT-MRXNPFEDSA-N 0 0 496.676 3.090 40 0 JGABRN C[C@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1)S(C)(=O)=O ZINC000223876950 569925940 /nfs/dbraw/zinc/92/59/40/569925940.db2.gz MVHINJMVMHTRAK-GOSISDBHSA-N 0 0 475.586 3.068 40 0 JGABRN CC[C@@H](C(=O)N[C@@H](C)c1ccc(S(C)(=O)=O)cc1)N(c1cc(C)cc(C)c1)S(C)(=O)=O ZINC000223880998 569926123 /nfs/dbraw/zinc/92/61/23/569926123.db2.gz JXRYNRLNXUXFKX-UWJYYQICSA-N 0 0 466.625 3.129 40 0 JGABRN Cc1cccc(OCCNC(=O)CN(c2ccc3c(c2)OCCO3)S(=O)(=O)c2ccccc2)c1C ZINC000223924415 569927477 /nfs/dbraw/zinc/92/74/77/569927477.db2.gz GPWATPBGXJRGDS-UHFFFAOYSA-N 0 0 496.585 3.465 40 0 JGABRN COc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)NCCOCc3ccccc3)cc2)cc1OC ZINC000223926277 569927491 /nfs/dbraw/zinc/92/74/91/569927491.db2.gz JLJWNAFJPNOCCC-UHFFFAOYSA-N 0 0 484.574 3.476 40 0 JGABRN Cc1cc(N(CC(=O)NCC2(c3ccccc3)CCOCC2)S(C)(=O)=O)ccc1Br ZINC000223925239 569927502 /nfs/dbraw/zinc/92/75/02/569927502.db2.gz SOGKQCXXPNSPKJ-UHFFFAOYSA-N 0 0 495.439 3.388 40 0 JGABRN CCNC(=O)[C@@H](C)N(Cc1c(Cl)cccc1Cl)C(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000223955095 569928379 /nfs/dbraw/zinc/92/83/79/569928379.db2.gz RQMHNMBJBNYAON-OAGGEKHMSA-N 0 0 480.392 3.188 40 0 JGABRN Cc1ccc(OCCNC(=O)CN(c2ccc3c(c2)OCCO3)S(=O)(=O)c2ccccc2)cc1C ZINC000223988231 569929615 /nfs/dbraw/zinc/92/96/15/569929615.db2.gz OGIHJMYCDDTMFA-UHFFFAOYSA-N 0 0 496.585 3.465 40 0 JGABRN Cc1ccc(C)c(OCCNC(=O)CN(c2ccccc2Br)S(C)(=O)=O)c1 ZINC000223992559 569929708 /nfs/dbraw/zinc/92/97/08/569929708.db2.gz PRAZNBQXEPDJJZ-UHFFFAOYSA-N 0 0 455.374 3.027 40 0 JGABRN COc1ccc(OCCNC(=O)[C@H]2CN(S(=O)(=O)c3ccc(C)cc3)c3ccccc3O2)cc1 ZINC000223999000 569929887 /nfs/dbraw/zinc/92/98/87/569929887.db2.gz KCIWFEAXPQMMHC-XMMPIXPASA-N 0 0 482.558 3.155 40 0 JGABRN CCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CCCN(c1cccc(C)c1)S(C)(=O)=O ZINC000224001232 569930002 /nfs/dbraw/zinc/93/00/02/569930002.db2.gz LZKOTWQKZBQCJX-FQEVSTJZSA-N 0 0 489.638 3.103 40 0 JGABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccccc1)S(C)(=O)=O ZINC000224002388 569930068 /nfs/dbraw/zinc/93/00/68/569930068.db2.gz MVRFWBQUFKATRO-HSZRJFAPSA-N 0 0 489.638 3.185 40 0 JGABRN COc1cccc(OCCNC(=O)[C@H](C)N(c2cc(Cl)ccc2Cl)S(C)(=O)=O)c1 ZINC000224015473 569930519 /nfs/dbraw/zinc/93/05/19/569930519.db2.gz UTDUBRYJCZLPRB-ZDUSSCGKSA-N 0 0 461.367 3.352 40 0 JGABRN CCCCNC(=O)[C@H](CC)N(Cc1ccc(OC)cc1)C(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000224021890 569930853 /nfs/dbraw/zinc/93/08/53/569930853.db2.gz SLKHOJDLADKWFO-ZRBLBEILSA-N 0 0 483.609 3.060 40 0 JGABRN COc1ccc(S(=O)(=O)Nc2ccc3c4c(cccc42)CC3)cc1C(=O)N1CCOCC1 ZINC000224035739 569931361 /nfs/dbraw/zinc/93/13/61/569931361.db2.gz WPRKADIVBWFGJW-UHFFFAOYSA-N 0 0 452.532 3.220 40 0 JGABRN COc1ccc(N([C@@H](C)C(=O)NCCOc2ccc(C)c(C)c2)S(C)(=O)=O)cc1Cl ZINC000224048281 569931727 /nfs/dbraw/zinc/93/17/27/569931727.db2.gz AYTDDLLICRWEJZ-INIZCTEOSA-N 0 0 454.976 3.315 40 0 JGABRN COc1ccc(N(CCCC(=O)NCCOc2ccccc2C)S(C)(=O)=O)cc1Cl ZINC000224051830 569931813 /nfs/dbraw/zinc/93/18/13/569931813.db2.gz BGHNUXCFUGBFKD-UHFFFAOYSA-N 0 0 454.976 3.398 40 0 JGABRN CCCCNC(=O)[C@H](CC)N(CCc1ccccc1)C(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000224065325 569932149 /nfs/dbraw/zinc/93/21/49/569932149.db2.gz KCIHWFZGLIIARP-ZRBLBEILSA-N 0 0 467.610 3.094 40 0 JGABRN CCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O ZINC000224066188 569932218 /nfs/dbraw/zinc/93/22/18/569932218.db2.gz QEUSSUFCBIHEIG-KRWDZBQOSA-N 0 0 499.555 3.067 40 0 JGABRN Cc1cc(C)cc(OCCNC(=O)CN(c2ccc(Br)c(C)c2)S(C)(=O)=O)c1 ZINC000224070644 569932348 /nfs/dbraw/zinc/93/23/48/569932348.db2.gz LBPAQVUWCMGRCO-UHFFFAOYSA-N 0 0 469.401 3.336 40 0 JGABRN COc1ccc(Cl)cc1N([C@@H](C)C(=O)NCCOc1cc(C)cc(C)c1)S(C)(=O)=O ZINC000224075632 569932524 /nfs/dbraw/zinc/93/25/24/569932524.db2.gz CFGIWGQVZRETAT-INIZCTEOSA-N 0 0 454.976 3.315 40 0 JGABRN CCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CCCN(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000224077960 569932584 /nfs/dbraw/zinc/93/25/84/569932584.db2.gz FBVCUDDDIZGSTB-JOCHJYFZSA-N 0 0 487.666 3.446 40 0 JGABRN Cc1ccc(C)c(N(CC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NCC(C)C)S(C)(=O)=O)c1 ZINC000224086076 569932795 /nfs/dbraw/zinc/93/27/95/569932795.db2.gz AUDPJTJGSNOKSV-NRFANRHFSA-N 0 0 473.639 3.259 40 0 JGABRN CCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CCCN(c1cccc(C)c1)S(C)(=O)=O ZINC000224086086 569932836 /nfs/dbraw/zinc/93/28/36/569932836.db2.gz MTGGTDSCLZOAPY-OAQYLSRUSA-N 0 0 473.639 3.137 40 0 JGABRN CCOc1ccc(N(CC(=O)N(Cc2ccccc2)[C@@H](C)C(=O)NCC(C)C)S(C)(=O)=O)cc1 ZINC000224087439 569932849 /nfs/dbraw/zinc/93/28/49/569932849.db2.gz VVSUZSQYBLWZMY-FQEVSTJZSA-N 0 0 489.638 3.041 40 0 JGABRN Cc1cccc(N(CC(=O)N(CCc2ccccc2)[C@@H](C)C(=O)NC2CCCC2)S(C)(=O)=O)c1 ZINC000224087342 569932887 /nfs/dbraw/zinc/93/28/87/569932887.db2.gz IRUAGHPVYNPSSE-NRFANRHFSA-N 0 0 485.650 3.280 40 0 JGABRN CCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CCCN(c1cc(C)cc(C)c1)S(C)(=O)=O ZINC000224087673 569932916 /nfs/dbraw/zinc/93/29/16/569932916.db2.gz PLIYAUZBZPZCLD-QFIPXVFZSA-N 0 0 487.666 3.446 40 0 JGABRN COc1ccc(N(CCCC(=O)Nc2ccccc2C(=O)NCC(C)C)S(C)(=O)=O)cc1 ZINC000224090535 569932978 /nfs/dbraw/zinc/93/29/78/569932978.db2.gz HBMJAABCFQMLOU-UHFFFAOYSA-N 0 0 461.584 3.266 40 0 JGABRN CC(C)CNC(=O)[C@H](C)N(Cc1ccccc1)C(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000224105281 569933328 /nfs/dbraw/zinc/93/33/28/569933328.db2.gz BSZFGTBBIOAPOF-SFHVURJKSA-N 0 0 480.030 3.150 40 0 JGABRN CCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CN(c1ccc(C)cc1C)S(C)(=O)=O ZINC000224106705 569933364 /nfs/dbraw/zinc/93/33/64/569933364.db2.gz JKWXAFDUDAYQDZ-OAQYLSRUSA-N 0 0 459.612 3.013 40 0 JGABRN CC(C)(C)c1ccc(OCCNC(=O)CCCN(c2ccc3c(c2)OCO3)S(C)(=O)=O)cc1 ZINC000224116961 569933693 /nfs/dbraw/zinc/93/36/93/569933693.db2.gz QKBYHKGMQKUDOI-UHFFFAOYSA-N 0 0 476.595 3.454 40 0 JGABRN CCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CCCN(c1ccccc1)S(C)(=O)=O ZINC000224127224 569933976 /nfs/dbraw/zinc/93/39/76/569933976.db2.gz YNOLIINMWNDWFL-QFIPXVFZSA-N 0 0 459.612 3.176 40 0 JGABRN CCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CCCN(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000224131934 569934096 /nfs/dbraw/zinc/93/40/96/569934096.db2.gz IVDVXJVJVDFDMJ-JOCHJYFZSA-N 0 0 495.592 3.455 40 0 JGABRN COc1ccc(OC)c([C@@H](C)NC(=O)[C@@H]2CN(S(C)(=O)=O)c3cc(C(C)(C)C)ccc3O2)c1 ZINC000224131809 569934099 /nfs/dbraw/zinc/93/40/99/569934099.db2.gz ZBQQULUHEFKHMG-QRQCRPRQSA-N 0 0 476.595 3.406 40 0 JGABRN CCOc1ccc(N([C@@H](C)C(=O)NCCOc2ccc(C)c(Cl)c2)S(C)(=O)=O)cc1 ZINC000224132094 569934124 /nfs/dbraw/zinc/93/41/24/569934124.db2.gz YWNDHRZLVXJGRS-INIZCTEOSA-N 0 0 454.976 3.397 40 0 JGABRN CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 ZINC000224144872 569934357 /nfs/dbraw/zinc/93/43/57/569934357.db2.gz UIIKAUUYXYGCSY-DEOSSOPVSA-N 0 0 485.650 3.482 40 0 JGABRN CCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CN(c1cc(C)ccc1C)S(C)(=O)=O ZINC000224151251 569934579 /nfs/dbraw/zinc/93/45/79/569934579.db2.gz QKJHHLHOONRTEL-JOCHJYFZSA-N 0 0 473.639 3.321 40 0 JGABRN CCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CN(c1ccccc1OCC)S(C)(=O)=O ZINC000224152867 569934640 /nfs/dbraw/zinc/93/46/40/569934640.db2.gz PROAOTYLAPXNBD-NRFANRHFSA-N 0 0 489.638 3.103 40 0 JGABRN Cc1cccc(CN(C(=O)CN(c2cccc(C)c2)S(C)(=O)=O)[C@@H](C)C(=O)NCC(C)C)c1 ZINC000224152990 569934651 /nfs/dbraw/zinc/93/46/51/569934651.db2.gz PTPFLARWGUWHNV-NRFANRHFSA-N 0 0 473.639 3.259 40 0 JGABRN Cc1ccc(C)c(N(CC(=O)NCCOc2ccc(C)c(Cl)c2)S(=O)(=O)N(C)C)c1 ZINC000224152406 569934664 /nfs/dbraw/zinc/93/46/64/569934664.db2.gz KENCQBZLQVMNJK-UHFFFAOYSA-N 0 0 453.992 3.073 40 0 JGABRN CCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CCCN(c1ccccc1)S(C)(=O)=O ZINC000224172059 569935268 /nfs/dbraw/zinc/93/52/68/569935268.db2.gz JNNOMGXRNBSWGT-HSZRJFAPSA-N 0 0 473.639 3.485 40 0 JGABRN CCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000224195922 569935998 /nfs/dbraw/zinc/93/59/98/569935998.db2.gz QLVCKTCOADTFCG-OAQYLSRUSA-N 0 0 480.030 3.358 40 0 JGABRN CCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1cc(C)ccc1OC)S(C)(=O)=O ZINC000224198097 569936090 /nfs/dbraw/zinc/93/60/90/569936090.db2.gz LGLGBRYOTFURCV-NRFANRHFSA-N 0 0 489.638 3.022 40 0 JGABRN COc1ccc(-c2nnc(NC(=O)[C@H](C)N(c3ccc(OC)cc3)S(C)(=O)=O)s2)cc1 ZINC000224210054 569936621 /nfs/dbraw/zinc/93/66/21/569936621.db2.gz JLKWDNSOTNEWBK-ZDUSSCGKSA-N 0 0 462.553 3.016 40 0 JGABRN O=C(Nc1nnc(-c2ccc(Cl)cc2)s1)c1ccc(CS(=O)(=O)N2CCOCC2)cc1 ZINC000224209917 569936644 /nfs/dbraw/zinc/93/66/44/569936644.db2.gz PDKGXFDBCVTVMD-UHFFFAOYSA-N 0 0 478.983 3.273 40 0 JGABRN Cc1ccc(OCCNC(=O)C2CCN(S(=O)(=O)CCCc3ccccc3)CC2)c(C)c1 ZINC000224219811 569937003 /nfs/dbraw/zinc/93/70/03/569937003.db2.gz ZYCLBBOLSUOUNM-UHFFFAOYSA-N 0 0 458.624 3.473 40 0 JGABRN 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/nfs/dbraw/zinc/57/52/37/555575237.db2.gz QZNBZOJGEOUWPI-UHFFFAOYSA-N 0 0 480.030 3.239 40 0 JGABRN COc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C(C)(C)C)N3CCN(c4ccc(F)cc4)CC3)cc2c1 ZINC000019973272 555575640 /nfs/dbraw/zinc/57/56/40/555575640.db2.gz RDRXXUDDTHGTTQ-QHCPKHFHSA-N 0 0 491.571 3.329 40 0 JGABRN COC(=O)c1c(C)nc2ccn(-c3ccc(S(N)(=O)=O)cc3)c(=O)c2c1-c1ccc(C)cc1 ZINC000019973858 555576313 /nfs/dbraw/zinc/57/63/13/555576313.db2.gz UPAOOASTTVWQNF-UHFFFAOYSA-N 0 0 463.515 3.104 40 0 JGABRN Cn1c2ccc(NC(=O)c3ccc(N(Cc4ccccc4F)S(C)(=O)=O)cc3)cc2n(C)c1=O ZINC000013682948 555576582 /nfs/dbraw/zinc/57/65/82/555576582.db2.gz XOFCAWULMQFYCR-UHFFFAOYSA-N 0 0 482.537 3.235 40 0 JGABRN Cc1cc(C)cc(NC(=O)CSC(Nc2ccccc2)=C2C(=O)N(C)C(=O)N(C)C2=O)c1 ZINC000009974194 555577611 /nfs/dbraw/zinc/57/76/11/555577611.db2.gz RZGDIBQFFNKYIO-UHFFFAOYSA-N 0 0 452.536 3.349 40 0 JGABRN Cc1ccc(NC(SCC(=O)N2CCCCCC2)=C2C(=O)N(C)C(=O)N(C)C2=O)cc1C ZINC000009974268 555577947 /nfs/dbraw/zinc/57/79/47/555577947.db2.gz NLODPNKUMATKGU-UHFFFAOYSA-N 0 0 458.584 3.113 40 0 JGABRN COc1cccc(NC(=O)[C@H](Cc2ccccc2)NS(=O)(=O)c2ccc(OC)c(OC)c2)c1 ZINC000020005489 555579675 /nfs/dbraw/zinc/57/96/75/555579675.db2.gz AWAOBUPLWIATDV-NRFANRHFSA-N 0 0 470.547 3.241 40 0 JGABRN COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NCc2ccc(F)cc2)cc1OC ZINC000020005825 555580199 /nfs/dbraw/zinc/58/01/99/555580199.db2.gz XFGGVPKIBJGRKV-NRFANRHFSA-N 0 0 472.538 3.049 40 0 JGABRN COc1ccc(CCNC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2cc(C)ccc2OC)cc1 ZINC000020006821 555581285 /nfs/dbraw/zinc/58/12/85/555581285.db2.gz KRLCUHQHJPFRFB-HSZRJFAPSA-N 0 0 482.602 3.261 40 0 JGABRN COC(=O)c1ccc(C)c(NC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c1 ZINC000013688486 555581591 /nfs/dbraw/zinc/58/15/91/555581591.db2.gz QAMGIXCNIHIVJU-UHFFFAOYSA-N 0 0 450.944 3.474 40 0 JGABRN COC(=O)c1cccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c1C ZINC000013688516 555581661 /nfs/dbraw/zinc/58/16/61/555581661.db2.gz GNESTOGXWNRXKC-UHFFFAOYSA-N 0 0 450.944 3.474 40 0 JGABRN COc1ccc(C)cc1S(=O)(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccc(NC(C)=O)cc1 ZINC000020007245 555581897 /nfs/dbraw/zinc/58/18/97/555581897.db2.gz MFCNGEWKIPYXAF-QFIPXVFZSA-N 0 0 481.574 3.490 40 0 JGABRN COc1ccccc1CNC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1cc(C)ccc1OC ZINC000020007269 555581935 /nfs/dbraw/zinc/58/19/35/555581935.db2.gz SPEYIMFPKOZFCK-OAQYLSRUSA-N 0 0 468.575 3.218 40 0 JGABRN COC(=O)c1ccc(NC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(OC)c(C)c2)cc1 ZINC000020008978 555583872 /nfs/dbraw/zinc/58/38/72/555583872.db2.gz VKUFQROGDHSFKM-JOCHJYFZSA-N 0 0 482.558 3.319 40 0 JGABRN COc1ccc(S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)Nc2ccc3c(c2)OCCO3)cc1C ZINC000020008942 555583929 /nfs/dbraw/zinc/58/39/29/555583929.db2.gz ZDBMYNTYWHWHQQ-NRFANRHFSA-N 0 0 482.558 3.303 40 0 JGABRN COC(=O)c1cc2cc(NC(=O)CN(C)S(=O)(=O)c3ccc(OC)c(C)c3)ccc2s1 ZINC000020013716 555589711 /nfs/dbraw/zinc/58/97/11/555589711.db2.gz DRTOXXWKCMUELB-UHFFFAOYSA-N 0 0 462.549 3.264 40 0 JGABRN CCN(CC(=O)Nc1ccc2sc(C(=O)OC)cc2c1)S(=O)(=O)c1ccc(F)cc1 ZINC000020014875 555590849 /nfs/dbraw/zinc/59/08/49/555590849.db2.gz ZSCKTDAVVSBQPH-UHFFFAOYSA-N 0 0 450.513 3.476 40 0 JGABRN CC[C@@H](C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000013714463 555592042 /nfs/dbraw/zinc/59/20/42/555592042.db2.gz WBNYMVBZZIHETC-IBGZPJMESA-N 0 0 476.986 3.321 40 0 JGABRN CC[C@@H](C(=O)N1CCN(c2ccc(F)cc2)CC1)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000013714512 555592068 /nfs/dbraw/zinc/59/20/68/555592068.db2.gz YJRHDOOPPZYMFX-FQEVSTJZSA-N 0 0 453.967 3.373 40 0 JGABRN COC(=O)c1cc2cc(NC(=O)[C@H](C)NS(=O)(=O)c3ccc(OC)c(C)c3)ccc2s1 ZINC000020016145 555592241 /nfs/dbraw/zinc/59/22/41/555592241.db2.gz YSVQQMZYEAAOHO-ZDUSSCGKSA-N 0 0 462.549 3.310 40 0 JGABRN CC[C@@H](C(=O)Nc1cc(OC)c(OC)cc1C(=O)OC)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000013714927 555592472 /nfs/dbraw/zinc/59/24/72/555592472.db2.gz CBEVMFBPMQOGGK-KRWDZBQOSA-N 0 0 484.958 3.327 40 0 JGABRN COc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccc(OC)c(OC)c3)CC2)cc1Cl ZINC000020016657 555592645 /nfs/dbraw/zinc/59/26/45/555592645.db2.gz MRERUQMYWOTMIX-UHFFFAOYSA-N 0 0 482.986 3.083 40 0 JGABRN CC[C@@H](C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000013715482 555592690 /nfs/dbraw/zinc/59/26/90/555592690.db2.gz FIUSMMIJWZPYEH-NRFANRHFSA-N 0 0 497.614 3.184 40 0 JGABRN COc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H]3CCCc4ccccc43)CC2)cc1OC ZINC000020017891 555593555 /nfs/dbraw/zinc/59/35/55/555593555.db2.gz NCKVCTMILHFKAH-NRFANRHFSA-N 0 0 458.580 3.298 40 0 JGABRN CC[C@@H](C(=O)Nc1c(C)n(C)n(-c2ccccc2)c1=O)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000013716381 555593649 /nfs/dbraw/zinc/59/36/49/555593649.db2.gz WLILKVMIEXGDKK-NRFANRHFSA-N 0 0 470.595 3.285 40 0 JGABRN COc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](C)c3ccc(OC)c(OC)c3)CC2)cc1C ZINC000020018161 555594287 /nfs/dbraw/zinc/59/42/87/555594287.db2.gz PPNOYDZZPANYCY-QGZVFWFLSA-N 0 0 476.595 3.299 40 0 JGABRN CC[C@@H](C)NS(=O)(=O)c1ccc(OCC(=O)N[C@@H](C)c2ccc(OC)c(OC)c2)cc1 ZINC000020019550 555595583 /nfs/dbraw/zinc/59/55/83/555595583.db2.gz FKUZVAHZDHZJCW-CVEARBPZSA-N 0 0 450.557 3.037 40 0 JGABRN COc1ccc([C@H](C)NC(=O)COc2ccc(S(=O)(=O)N3CCCC3)cc2C)cc1OC ZINC000020021817 555599102 /nfs/dbraw/zinc/59/91/02/555599102.db2.gz JTHYFDRMFVVBBP-KRWDZBQOSA-N 0 0 462.568 3.053 40 0 JGABRN Cc1cc(S(=O)(=O)N2CCOCC2)ccc1OCC(=O)N[C@@H](C)c1cccc(Br)c1 ZINC000020022264 555599672 /nfs/dbraw/zinc/59/96/72/555599672.db2.gz XLHNBRMCWSLZHC-INIZCTEOSA-N 0 0 497.411 3.035 40 0 JGABRN C[C@@H](NC(=O)COc1ccc(S(=O)(=O)N2CCOCC2)cc1Cl)c1ccc(Cl)cc1 ZINC000020023129 555600899 /nfs/dbraw/zinc/60/08/99/555600899.db2.gz LCKUMOVQJMBJIH-CQSZACIVSA-N 0 0 473.378 3.271 40 0 JGABRN C[C@H](NC(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1)c1cccc(Br)c1 ZINC000020024605 555602663 /nfs/dbraw/zinc/60/26/63/555602663.db2.gz QAVSKQWSXYVTQP-INIZCTEOSA-N 0 0 481.412 3.280 40 0 JGABRN COc1ccc(/C=C/C(=O)NCc2nnc(SCC(=O)Nc3cc(F)ccc3C)n2C)cc1OC ZINC000010041186 555605676 /nfs/dbraw/zinc/60/56/76/555605676.db2.gz FLORAKXUZUBKIA-JXMROGBWSA-N 0 0 499.568 3.340 40 0 JGABRN CCn1c(CNC(=O)/C=C/c2ccc(OC)c(OC)c2)nnc1SCC(=O)Nc1ccccc1 ZINC000010041389 555605969 /nfs/dbraw/zinc/60/59/69/555605969.db2.gz VZIUPVRKBFSSOQ-ACCUITESSA-N 0 0 481.578 3.376 40 0 JGABRN COc1ccc(/C=C/C(=O)NCc2nnc(SCC(=O)Nc3ccc(C)cc3)n2C)cc1OC ZINC000010041343 555606002 /nfs/dbraw/zinc/60/60/02/555606002.db2.gz OURFLLHNBGAJRR-XYOKQWHBSA-N 0 0 481.578 3.201 40 0 JGABRN O=C(c1ccc(CN2CCc3ccccc32)cc1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000020042344 555614389 /nfs/dbraw/zinc/61/43/89/555614389.db2.gz HWIUBEIHMLPPBM-UHFFFAOYSA-N 0 0 461.587 3.396 40 0 JGABRN COC(=O)c1ccccc1NC(=O)C1CCN(S(=O)(=O)Cc2cccc(Br)c2)CC1 ZINC000020041945 555614425 /nfs/dbraw/zinc/61/44/25/555614425.db2.gz FFUJTFNDZYAIAX-UHFFFAOYSA-N 0 0 495.395 3.416 40 0 JGABRN CC[C@@H](Oc1ccc(C)c(C)c1)C(=O)Nc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 ZINC000020049307 555618694 /nfs/dbraw/zinc/61/86/94/555618694.db2.gz IKQPKNJVOAVUAR-HXUWFJFHSA-N 0 0 462.568 3.129 40 0 JGABRN O=c1[nH]c2cc3c(cc2cc1[C@H](c1nnnn1Cc1ccccc1)N1CCc2ccccc2C1)OCO3 ZINC000020080809 555629867 /nfs/dbraw/zinc/62/98/67/555629867.db2.gz TWTMTIBWFXMYFQ-AREMUKBSSA-N 0 0 492.539 3.439 40 0 JGABRN Cc1cccc2cc(CN(CCc3ccccc3)Cc3nnnn3C[C@H]3CCCO3)c(=O)[nH]c12 ZINC000020081624 555630529 /nfs/dbraw/zinc/63/05/29/555630529.db2.gz UNPVNUMJJWMVAG-HSZRJFAPSA-N 0 0 458.566 3.247 40 0 JGABRN Cc1ccc(NC(=O)C[S@](=O)CC(=O)N([C@H](C)C(=O)NC2CCCCC2)C(C)(C)C)cc1 ZINC000020097823 555632497 /nfs/dbraw/zinc/63/24/97/555632497.db2.gz JBDCQOUPPHYZOE-ZUQCGGBESA-N 0 0 463.644 3.147 40 0 JGABRN COc1ccc(CCNC(=O)[C@@H](Cc2ccccc2)NS(=O)(=O)c2ccc(C)cc2)cc1OC ZINC000010146552 555637026 /nfs/dbraw/zinc/63/70/26/555637026.db2.gz ANQSWAPAUDYTGF-HSZRJFAPSA-N 0 0 482.602 3.261 40 0 JGABRN COc1ccc(NC(=O)Cn2c3ccccc3c(=O)n(-c3ccc(Cl)cc3)c2=O)cc1OC ZINC000010156756 555637889 /nfs/dbraw/zinc/63/78/89/555637889.db2.gz KJMCRWINFGLBLT-UHFFFAOYSA-N 0 0 465.893 3.462 40 0 JGABRN COC(=O)c1cccc(NC(=O)[C@@H]2CCCN(S(=O)(=O)CCCc3ccccc3)C2)c1C ZINC000020105247 555638377 /nfs/dbraw/zinc/63/83/77/555638377.db2.gz GCNNXDJHHCKGFX-HXUWFJFHSA-N 0 0 458.580 3.395 40 0 JGABRN COc1cc2cc(CN(CCN3CCOCC3)C(=O)Nc3ccccc3F)c(=O)[nH]c2cc1OC ZINC000020109234 555645312 /nfs/dbraw/zinc/64/53/12/555645312.db2.gz WMORJZMCIBGIOE-UHFFFAOYSA-N 0 0 484.528 3.051 40 0 JGABRN Cc1nccn1-c1ccccc1CNC(=O)[C@@H]1CCCN(S(=O)(=O)CCCc2ccccc2)C1 ZINC000020111265 555647823 /nfs/dbraw/zinc/64/78/23/555647823.db2.gz OUVSAAUSKWGCPS-XMMPIXPASA-N 0 0 480.634 3.472 40 0 JGABRN O=C(Cc1ccccc1)N[C@@H](N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2)C(Cl)(Cl)Cl ZINC000020113735 555651534 /nfs/dbraw/zinc/65/15/34/555651534.db2.gz DWGISBCDQKLHPH-GUXCAODWSA-N 0 0 454.785 3.323 40 0 JGABRN COC(=O)C1=Nc2nnnn2[C@H](c2ccc(Br)cc2)C1C(=O)c1ccc(Cl)cc1 ZINC000010231944 555655600 /nfs/dbraw/zinc/65/56/00/555655600.db2.gz CXFKTZUDZQNQJI-MRXNPFEDSA-N 0 0 474.702 3.414 40 0 JGABRN COC(=O)C1=Nc2nnnn2[C@H](c2ccc(Cl)cc2)C1C(=O)c1ccc(Br)cc1 ZINC000010231988 555655800 /nfs/dbraw/zinc/65/58/00/555655800.db2.gz 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/nfs/dbraw/zinc/93/41/95/555934195.db2.gz GXFREQUMAUTEJY-UHFFFAOYSA-N 0 0 455.580 3.409 40 0 JGABRN COC(=O)[C@@H]1Cc2ncn(Cc3ccc(Cl)cc3)c2CN1S(=O)(=O)c1cccc2cccnc21 ZINC000015676436 555937533 /nfs/dbraw/zinc/93/75/33/555937533.db2.gz LWWWPWQQYIJACV-FQEVSTJZSA-N 0 0 496.976 3.422 40 0 biogenic,in-vitro JGABRN COc1ccccc1C(=O)NC(=S)N(Cc1ccc(OCC(N)=O)c(OC)c1)C1CCCCC1 ZINC000022743169 555949919 /nfs/dbraw/zinc/94/99/19/555949919.db2.gz RPMNTOIKMIAKPK-UHFFFAOYSA-N 0 0 485.606 3.418 40 0 JGABRN O=C1Nc2c(cccc2C(F)(F)F)[C@@]12[C@H]1C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]1[C@H]1CCCN12 ZINC000012375019 555962192 /nfs/dbraw/zinc/96/21/92/555962192.db2.gz UBAKJWQJJKFCMI-PEOGOYOCSA-N 0 0 459.399 3.276 40 0 JGABRN COc1cc([C@@H](c2nnnn2C(C)(C)C)N2CCN(Cc3ccccc3)CC2)cc(OC)c1OC ZINC000022928724 555980134 /nfs/dbraw/zinc/98/01/34/555980134.db2.gz BZDYUSVTYRNHOD-QHCPKHFHSA-N 0 0 480.613 3.361 40 0 JGABRN COc1ccc([C@H](c2nnnn2C(C)(C)C)N2CCN(Cc3ccccc3)CC2)cc1OC ZINC000022928717 555980158 /nfs/dbraw/zinc/98/01/58/555980158.db2.gz SWOREFISHDMMTL-HSZRJFAPSA-N 0 0 450.587 3.353 40 0 JGABRN Clc1ccccc1[C@@H](c1nnnn1C[C@@H]1CCCO1)N1CCN(Cc2ccccc2)CC1 ZINC000022929050 555980788 /nfs/dbraw/zinc/98/07/88/555980788.db2.gz PJJGVADZDCPPLD-REWPJTCUSA-N 0 0 452.990 3.413 40 0 JGABRN COc1ccc(C(=O)N2CCN(c3cccc(C)c3C)CC2)cc1S(=O)(=O)N1CCCC1 ZINC000015791399 556007151 /nfs/dbraw/zinc/00/71/51/556007151.db2.gz UGDHUENUFHRAPW-UHFFFAOYSA-N 0 0 457.596 3.059 40 0 JGABRN C=Cc1ccc(Cn2nc3n(c2=O)c2cc(C(=O)NC(C)C)ccc2c(=O)n3CC(C)C)cc1 ZINC000023126043 556014603 /nfs/dbraw/zinc/01/46/03/556014603.db2.gz FUVONVYZQAQLIZ-UHFFFAOYSA-N 0 0 459.550 3.296 40 0 JGABRN Cc1ccccc1Cn1nc2n(c1=O)c1cc(C(=O)NC(C)C)ccc1c(=O)n2Cc1ccccc1 ZINC000023126221 556015155 /nfs/dbraw/zinc/01/51/55/556015155.db2.gz OWSXRQDLOXNLKY-UHFFFAOYSA-N 0 0 481.556 3.354 40 0 JGABRN COc1ccc([C@H](C)N2C[C@@]34C=C[C@@H](O3)[C@@H](C(=O)NCCc3c[nH]c5ccccc35)[C@@H]4C2=O)cc1 ZINC000015894208 556061317 /nfs/dbraw/zinc/06/13/17/556061317.db2.gz OGQCTAMMMCLXTA-ARQPODNMSA-N 0 0 471.557 3.378 40 0 biogenic JGABRN COc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3cc(OC)c(Cl)cc3OC)CC2)cc1 ZINC000015970322 556096272 /nfs/dbraw/zinc/09/62/72/556096272.db2.gz OGKTYFAYGLTIIU-UHFFFAOYSA-N 0 0 468.959 3.405 40 0 JGABRN CCOc1ccc(S(=O)(=O)N2CCC(C(=O)O[C@@H](C)C(=O)N[C@H]3CCCC[C@@H]3C)CC2)cc1 ZINC000023942415 556103658 /nfs/dbraw/zinc/10/36/58/556103658.db2.gz SWKFBJDXEQVRRC-SPEDKVCISA-N 0 0 480.627 3.113 40 0 JGABRN CC(C)CN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cc(Br)ccc1Br ZINC000016084233 556126590 /nfs/dbraw/zinc/12/65/90/556126590.db2.gz QISBBNCZHHYLIE-LBPRGKRZSA-N 0 0 489.251 3.045 40 0 JGABRN CNS(=O)(=O)c1cc(C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)ccc1OC ZINC000016189397 556128330 /nfs/dbraw/zinc/12/83/30/556128330.db2.gz NOWXDTDPKURKTN-UHFFFAOYSA-N 0 0 479.602 3.151 40 0 JGABRN COc1ccccc1NS(=O)(=O)CCCCCCS(=O)(=O)Nc1ccccc1OC ZINC000016248145 556131065 /nfs/dbraw/zinc/13/10/65/556131065.db2.gz CZFDLDXGBBZAED-UHFFFAOYSA-N 0 0 456.586 3.448 40 0 JGABRN O=C(COC(=O)c1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O)Nc1ccccc1C(F)(F)F ZINC000024782640 556155599 /nfs/dbraw/zinc/15/55/99/556155599.db2.gz YARBWEGUVOKIIG-CQSZACIVSA-N 0 0 476.407 3.276 40 0 JGABRN CC[C@@H](C)[C@@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1)C(=O)Nc1nc(C)cs1 ZINC000025107582 556179775 /nfs/dbraw/zinc/17/97/75/556179775.db2.gz DIAKWRLKJIMKDM-IDHHARJASA-N 0 0 496.630 3.161 40 0 JGABRN CCOC(=O)NCC[C@]1([C@]2(CCNC(=O)OCC)c3ccccc3NC2=O)c2ccccc2NC1=O ZINC000016923137 556180739 /nfs/dbraw/zinc/18/07/39/556180739.db2.gz WGZOELGURRQRLJ-WMPKNSHKSA-N 0 0 494.548 3.039 40 0 JGABRN Cc1ccc(S(=O)(=O)N(c2cccc(-n3cnnn3)c2)S(=O)(=O)c2ccc(C)c(C)c2)cc1C ZINC000017043997 556210445 /nfs/dbraw/zinc/21/04/45/556210445.db2.gz KUCLXYHZPAHXRH-UHFFFAOYSA-N 0 0 497.602 3.480 40 0 JGABRN CCOc1ccc([C@H](C(=O)NC(C)(C)CC)N(CCOC)C(=O)Cn2nnc3ccccc32)cc1 ZINC000013024426 556214243 /nfs/dbraw/zinc/21/42/43/556214243.db2.gz VXIOBIWUBKHZEK-XMMPIXPASA-N 0 0 481.597 3.351 40 0 JGABRN CCC(C)(C)NC(=O)[C@H](c1ccc(OC)cc1)N(C[C@H]1CCCO1)C(=O)Cn1nnc2ccccc21 ZINC000013024587 556214544 /nfs/dbraw/zinc/21/45/44/556214544.db2.gz ULXJDEPEWPLSCT-BWKNWUBXSA-N 0 0 493.608 3.494 40 0 JGABRN COCCN(C(=O)Cn1nnc2ccccc21)[C@@H](C(=O)NCc1ccccc1)c1ccccc1C ZINC000013028368 556221989 /nfs/dbraw/zinc/22/19/89/556221989.db2.gz IVKMUUWURRVAAK-AREMUKBSSA-N 0 0 471.561 3.272 40 0 JGABRN CC(C)CCNC(=O)[C@H](c1cccnc1)N(Cc1ccco1)C(=O)Cn1nnc2ccccc21 ZINC000013030749 556225887 /nfs/dbraw/zinc/22/58/87/556225887.db2.gz AHZNUXIEIWDQFV-DEOSSOPVSA-N 0 0 460.538 3.352 40 0 JGABRN CCOC(=O)C1CCN(C(=O)[C@@H]2CCCN(S(=O)(=O)Cc3ccc(Cl)c(Cl)c3)C2)CC1 ZINC000026110188 556242237 /nfs/dbraw/zinc/24/22/37/556242237.db2.gz KJXAJYAIAOESEU-QGZVFWFLSA-N 0 0 491.437 3.337 40 0 JGABRN COC(=O)[C@H](Cc1nc2ccccc2[nH]c1=O)C(=O)C(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC000017216129 556242463 /nfs/dbraw/zinc/24/24/63/556242463.db2.gz YDNCGIHJMIZJEE-LLVKDONJSA-N 0 0 481.814 3.135 40 0 JGABRN CCOC(=O)C1CCN(C(=O)[C@H]2CCCN(S(=O)(=O)Cc3c(Cl)cccc3Cl)C2)CC1 ZINC000026110686 556242527 /nfs/dbraw/zinc/24/25/27/556242527.db2.gz ZVJANOAATFRJKF-INIZCTEOSA-N 0 0 491.437 3.337 40 0 JGABRN COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)Nc3ccccc3C(=O)NCc3ccco3)C2)cc1 ZINC000026111222 556242856 /nfs/dbraw/zinc/24/28/56/556242856.db2.gz DYNVRVYOXVSSQO-SFHVURJKSA-N 0 0 497.573 3.258 40 0 JGABRN CSc1ccc(S(=O)(=O)Nc2cccc(Br)c2)cc1C(=O)N1CCOCC1 ZINC000026117016 556246675 /nfs/dbraw/zinc/24/66/75/556246675.db2.gz ARLMGNBFSLFCPM-UHFFFAOYSA-N 0 0 471.398 3.444 40 0 JGABRN CSc1ccc(S(=O)(=O)NCCSC2CCCCC2)cc1C(=O)N1CCOCC1 ZINC000026117445 556247219 /nfs/dbraw/zinc/24/72/19/556247219.db2.gz QGDMMQIUTUNNDL-UHFFFAOYSA-N 0 0 458.671 3.225 40 0 JGABRN Cc1ccc(S(=O)(=O)N(C)c2ccc(OCC(=O)NCc3ccc4c(c3)OCO4)cc2)cc1 ZINC000017320705 556258749 /nfs/dbraw/zinc/25/87/49/556258749.db2.gz JEEZCUWBOIKRRY-UHFFFAOYSA-N 0 0 468.531 3.244 40 0 JGABRN Cc1c(NC(=O)c2cc(S(=O)(=O)N3CCCC3)ccc2Cl)c(=O)n(-c2ccccc2)n1C ZINC000026944948 556266181 /nfs/dbraw/zinc/26/61/81/556266181.db2.gz SYIOYRUIHICKKM-UHFFFAOYSA-N 0 0 474.970 3.175 40 0 JGABRN COCCOC(=O)C1=C(C)NC=C(C(=O)OC(C)C)[C@@H]1c1cc(Br)ccc1OC ZINC000027232050 556275372 /nfs/dbraw/zinc/27/53/72/556275372.db2.gz ZYJBWHWVISSRQU-IBGZPJMESA-N 0 0 468.344 3.444 40 0 JGABRN COc1ccc(C(=O)N2CCC[C@H](c3nc4c(nnn4Cc4ccccc4)c(=O)[nH]3)C2)cc1OC ZINC000013083740 556280570 /nfs/dbraw/zinc/28/05/70/556280570.db2.gz WQFPPNISGAHDHH-SFHVURJKSA-N 0 0 474.521 3.012 40 0 JGABRN COc1ccc(C(=O)N2CCC[C@@H](c3nc4c(nnn4Cc4ccccc4)c(=O)[nH]3)C2)c(OC)c1 ZINC000013083705 556280688 /nfs/dbraw/zinc/28/06/88/556280688.db2.gz YEELSZOPBMAIAT-QGZVFWFLSA-N 0 0 474.521 3.012 40 0 JGABRN O=C(Nc1ccccc1)N1CCC[C@H](c2nc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)no2)C1 ZINC000013083936 556281364 /nfs/dbraw/zinc/28/13/64/556281364.db2.gz QURRVNOSGGMWMZ-IBGZPJMESA-N 0 0 497.577 3.169 40 0 JGABRN CCOC(=O)CNC(=O)CSc1nnc2n(Cc3c(F)cccc3Cl)c3ccccc3n12 ZINC000013084165 556281755 /nfs/dbraw/zinc/28/17/55/556281755.db2.gz XWPAHFDDVOSMDE-UHFFFAOYSA-N 0 0 475.933 3.296 40 0 JGABRN CC(=O)O[C@H](C(=O)Nc1nc(-c2ccc3c(c2)CCN3S(C)(=O)=O)cs1)c1ccccc1 ZINC000013084279 556281774 /nfs/dbraw/zinc/28/17/74/556281774.db2.gz IENYATSQBHVLJW-FQEVSTJZSA-N 0 0 471.560 3.375 40 0 JGABRN O=C([C@H]1CCCN(S(=O)(=O)c2ccc(Cl)cc2)C1)N1CCN(c2ccccc2F)CC1 ZINC000027501338 556282000 /nfs/dbraw/zinc/28/20/00/556282000.db2.gz KCKMMPKYUSUFJH-KRWDZBQOSA-N 0 0 465.978 3.229 40 0 JGABRN CCOc1ccc(NC(=O)N2CCN(C(=O)[C@H](Cc3cc(C)ccc3C)NC(C)=O)CC2)cc1 ZINC000013084725 556282296 /nfs/dbraw/zinc/28/22/96/556282296.db2.gz JOHIBAIYVUIQBZ-DEOSSOPVSA-N 0 0 466.582 3.126 40 0 JGABRN CC(=O)N[C@H](Cc1ccc(F)cc1)C(=O)NC1CCN(C(=O)Nc2ccc(Cl)cc2)CC1 ZINC000013084828 556282545 /nfs/dbraw/zinc/28/25/45/556282545.db2.gz PNJONXXXWVHOQW-OAQYLSRUSA-N 0 0 460.937 3.339 40 0 JGABRN CCc1ccccc1NC(=O)N1CCC(NC(=O)[C@@H](Cc2ccccc2C)NC(C)=O)CC1 ZINC000013084892 556282550 /nfs/dbraw/zinc/28/25/50/556282550.db2.gz SYJNRXWSZOWUBE-XMMPIXPASA-N 0 0 450.583 3.417 40 0 JGABRN CCc1ccccc1NC(=O)N1CCC(NC(=O)[C@H](Cc2ccccc2C)NC(C)=O)CC1 ZINC000013084894 556282582 /nfs/dbraw/zinc/28/25/82/556282582.db2.gz SYJNRXWSZOWUBE-DEOSSOPVSA-N 0 0 450.583 3.417 40 0 JGABRN COc1cc2c(cc1OC)[C@@H](c1cc3cc4c(cc3[nH]c1=O)OCO4)N(C(=O)C(C)C)CC2 ZINC000013086011 556285515 /nfs/dbraw/zinc/28/55/15/556285515.db2.gz MTPFBIAXJXXNRS-QHCPKHFHSA-N 0 0 450.491 3.404 40 0 JGABRN O=C(COC(=O)CCS(=O)(=O)c1ccccc1)N=c1sccn1Cc1ccccc1Cl ZINC000013095470 556287646 /nfs/dbraw/zinc/28/76/46/556287646.db2.gz IQASMTXSEWJVBT-LNVKXUELSA-N 0 0 478.979 3.086 40 0 JGABRN C[C@H]1C[C@]2(CC(C)(C)C1)NC(=O)N(CC(=O)OCC(=O)N1C[C@@]3(C)C[C@@H]1CC(C)(C)C3)C2=O ZINC000013109447 556308201 /nfs/dbraw/zinc/30/82/01/556308201.db2.gz WRYZCGJOJNHAPK-INSIIIQSSA-N 0 0 461.603 3.094 40 0 JGABRN Cc1ccc(S(=O)(=O)N[C@H](C(=O)OCC(=O)c2ccc(Br)cc2)C(C)C)cc1 ZINC000018408406 556320774 /nfs/dbraw/zinc/32/07/74/556320774.db2.gz ZDZXVVNARDAYGY-IBGZPJMESA-N 0 0 468.369 3.487 40 0 JGABRN 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Cc1ccc(N(CC(=O)NCc2ccc3c(c2)OCO3)C(=O)CCC(=O)Nc2ccccn2)cc1C ZINC000008995165 554855593 /nfs/dbraw/zinc/85/55/93/554855593.db2.gz SYZAVUQJOPJATA-UHFFFAOYSA-N 0 0 488.544 3.495 40 0 JGABRN Cc1ccc(N(CC(=O)NCc2ccc3c(c2)OCO3)C(=O)CCC(=O)Nc2ccccn2)c(C)c1 ZINC000008995163 554855653 /nfs/dbraw/zinc/85/56/53/554855653.db2.gz AIRHCYIYJQJBPR-UHFFFAOYSA-N 0 0 488.544 3.495 40 0 JGABRN Cc1ccnc(NC(=O)CCC(=O)N(CC(=O)NC2CCCCC2)c2ccc3c(c2)OCCO3)c1 ZINC000008995289 554856039 /nfs/dbraw/zinc/85/60/39/554856039.db2.gz WCOYYHIICKYXQR-UHFFFAOYSA-N 0 0 480.565 3.362 40 0 JGABRN COc1ccc(C(=O)N2CCN(c3cccc(C)c3C)CC2)cc1S(=O)(=O)N1CCCCC1 ZINC000009063814 554881955 /nfs/dbraw/zinc/88/19/55/554881955.db2.gz VDYZMIOEVQITSL-UHFFFAOYSA-N 0 0 471.623 3.449 40 0 JGABRN CCOc1ccc(C(=O)NC(=S)NCc2ccc(-c3nn4c(C)nnc4s3)cc2)cc1 ZINC000009142242 554935284 /nfs/dbraw/zinc/93/52/84/554935284.db2.gz JQFBDRTZQHPJFE-UHFFFAOYSA-N 0 0 452.565 3.364 40 0 JGABRN 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CCOc1ccc2[nH]c(=O)c(CN(CCCO)[C@H](CC)c3nnnn3CCc3ccccc3)cc2c1 ZINC000013496038 555410809 /nfs/dbraw/zinc/41/08/09/555410809.db2.gz RSSLCEUWCZHMEY-RUZDIDTESA-N 0 0 490.608 3.492 40 0 JGABRN COc1ccc2[nH]c(=O)c(CN(CCO)[C@@H](c3nnnn3C3CCCCC3)C(C)C)cc2c1 ZINC000013498670 555423364 /nfs/dbraw/zinc/42/33/64/555423364.db2.gz GEQQRJNJHRACNO-JOCHJYFZSA-N 0 0 454.575 3.220 40 0 JGABRN CCOC(=O)Cn1nnnc1[C@H](C(C)C)N(Cc1ccco1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000013498660 555423411 /nfs/dbraw/zinc/42/34/11/555423411.db2.gz VIFJQPHFQIEXES-QHCPKHFHSA-N 0 0 494.552 3.079 40 0 JGABRN Cc1cccc2cc(CN(CCCN3CCOCC3)[C@@H](c3nnnn3C(C)(C)C)C(C)C)c(=O)[nH]c12 ZINC000013500295 555438544 /nfs/dbraw/zinc/43/85/44/555438544.db2.gz CRGFLNSIKNHSSP-XMMPIXPASA-N 0 0 495.672 3.500 40 0 JGABRN CCOC(=O)Cn1nnnc1[C@@H](C(C)C)N(Cc1ccco1)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013500444 555440174 /nfs/dbraw/zinc/44/01/74/555440174.db2.gz XTPLUUSWOCTVHW-HSZRJFAPSA-N 0 0 478.553 3.379 40 0 JGABRN 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555455327 /nfs/dbraw/zinc/45/53/27/555455327.db2.gz JVIZPNCBRREJAL-DEOSSOPVSA-N 0 0 458.522 3.248 40 0 JGABRN CCc1ccc([C@@H](C(=O)NCc2ccco2)N(CCOC)C(=O)Cn2nnc3ccccc32)cc1 ZINC000013502494 555455658 /nfs/dbraw/zinc/45/56/58/555455658.db2.gz RPKPMYKWTHPICF-VWLOTQADSA-N 0 0 475.549 3.119 40 0 JGABRN CC(C)[C@H](C(=O)NCc1ccccc1)N(Cc1cccs1)C(=O)CNS(=O)(=O)c1ccccc1 ZINC000013502775 555457206 /nfs/dbraw/zinc/45/72/06/555457206.db2.gz QYKHRJKONUDUQF-XMMPIXPASA-N 0 0 499.658 3.396 40 0 JGABRN CC[C@@H](C(=O)NCc1ccco1)N(C(=O)CNS(=O)(=O)c1ccccc1)c1ccc(C)cc1C ZINC000013502811 555457524 /nfs/dbraw/zinc/45/75/24/555457524.db2.gz DBRWLWSBEKRVBO-QFIPXVFZSA-N 0 0 483.590 3.303 40 0 JGABRN CC[C@H](C(=O)NCc1ccco1)N(C(=O)CNS(=O)(=O)c1ccc(OC)cc1)c1ccccc1C ZINC000013503048 555459139 /nfs/dbraw/zinc/45/91/39/555459139.db2.gz CJNXJPIJBAUWTA-JOCHJYFZSA-N 0 0 499.589 3.003 40 0 JGABRN Cc1ccc(N(CC(=O)NCc2ccco2)C(=O)CNS(=O)(=O)c2ccc(Cl)cc2)c(C)c1 ZINC000013503250 555460171 /nfs/dbraw/zinc/46/01/71/555460171.db2.gz NMBPCTCSOXJUAI-UHFFFAOYSA-N 0 0 489.981 3.178 40 0 JGABRN COc1ccc(CCn2nnnc2CN2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1OC ZINC000013505589 555467255 /nfs/dbraw/zinc/46/72/55/555467255.db2.gz LOLZWICMSJJSLL-UHFFFAOYSA-N 0 0 476.503 3.274 40 0 JGABRN CCOC(=O)CN(C(=O)CCC(=O)Nc1cc(C)on1)[C@H](C(=O)NC1CCCC1)c1ccc(C)cc1 ZINC000013505738 555467859 /nfs/dbraw/zinc/46/78/59/555467859.db2.gz XCOIGCQBHDLWCW-VWLOTQADSA-N 0 0 498.580 3.202 40 0 JGABRN COCCN(C(=O)CCC(=O)Nc1cc(C)on1)[C@@H](C(=O)NC1CCCC1)c1ccccc1F ZINC000013505759 555468211 /nfs/dbraw/zinc/46/82/11/555468211.db2.gz ATGXJMWRAIETHV-HSZRJFAPSA-N 0 0 474.533 3.116 40 0 JGABRN O=C(CNC(=O)c1cccs1)N(c1cccnc1)[C@@H](C(=O)NC1CCCC1)c1cccnc1 ZINC000013506329 555471114 /nfs/dbraw/zinc/47/11/14/555471114.db2.gz AGEJJWNZUWIUKO-JOCHJYFZSA-N 0 0 463.563 3.101 40 0 JGABRN O=C(CNC(=O)c1ccco1)N(CCc1ccccc1)[C@@H](C(=O)NC1CCCC1)c1ccco1 ZINC000013506711 555473345 /nfs/dbraw/zinc/47/33/45/555473345.db2.gz FJDDNHVKNDHQSC-XMMPIXPASA-N 0 0 463.534 3.474 40 0 JGABRN CC(=O)Nc1ccc(N(C(=O)CNC(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2ccco2)cc1 ZINC000013506719 555473368 /nfs/dbraw/zinc/47/33/68/555473368.db2.gz BDDUAFOXKDIFMX-XMMPIXPASA-N 0 0 492.532 3.394 40 0 JGABRN O=C(CNC(=O)c1ccco1)N(c1cccnc1)[C@H](C(=O)NC1CCCC1)c1ccccc1F ZINC000013506974 555474860 /nfs/dbraw/zinc/47/48/60/555474860.db2.gz FZXXXDGPJJRYIV-QHCPKHFHSA-N 0 0 464.497 3.377 40 0 JGABRN CC(=O)c1cccc(N(C(=O)CNC(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2ccncc2)c1 ZINC000013507285 555475814 /nfs/dbraw/zinc/47/58/14/555475814.db2.gz PRZFZQMWKURXAX-RUZDIDTESA-N 0 0 488.544 3.440 40 0 JGABRN O=C(CNC(=O)c1ccco1)N(Cc1ccco1)[C@@H](C(=O)NC1CCCCC1)c1ccco1 ZINC000013507590 555476476 /nfs/dbraw/zinc/47/64/76/555476476.db2.gz KMMUHFHJSCUNCF-JOCHJYFZSA-N 0 0 453.495 3.414 40 0 JGABRN COCCNC(=O)[C@H](c1ccc(C)o1)N(C(=O)Cn1nnc2ccccc21)c1ccc(C)c(F)c1 ZINC000013508430 555478630 /nfs/dbraw/zinc/47/86/30/555478630.db2.gz ORFHBRANZAGXKL-DEOSSOPVSA-N 0 0 479.512 3.317 40 0 JGABRN 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556149625 /nfs/dbraw/zinc/14/96/25/556149625.db2.gz QQXLBADRSJAJIE-KRWDZBQOSA-N 0 0 480.428 3.082 40 0 JGABRN Cc1cccc(N2CCN(C(=O)[C@H]3CCCN(S(=O)(=O)c4ccc(F)cc4)C3)CC2)c1C ZINC000016644550 556149730 /nfs/dbraw/zinc/14/97/30/556149730.db2.gz WJLDOKXKCFVCAP-FQEVSTJZSA-N 0 0 459.587 3.192 40 0 JGABRN CCN(CC(=O)N1CCN(c2ccc(F)cc2)CC1)S(=O)(=O)c1cc(Cl)ccc1Cl ZINC000016678295 556150384 /nfs/dbraw/zinc/15/03/84/556150384.db2.gz RLJMWSHDMSBPAY-UHFFFAOYSA-N 0 0 474.385 3.492 40 0 JGABRN CCN(CC(=O)N1CCN(c2cccc(C)c2C)CC1)S(=O)(=O)c1ccc(Cl)cc1 ZINC000016678337 556150620 /nfs/dbraw/zinc/15/06/20/556150620.db2.gz OXBONFJZGRZNKO-UHFFFAOYSA-N 0 0 450.004 3.316 40 0 JGABRN CCOc1ccc(S(=O)(=O)N(CC)CC(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1C ZINC000016678322 556150629 /nfs/dbraw/zinc/15/06/29/556150629.db2.gz QURUQEWKHDUGMR-UHFFFAOYSA-N 0 0 480.030 3.407 40 0 JGABRN CCOC(=O)COc1ccccc1C1=C(C(=O)OC)C(C)=N[C@H]2S/C(=C\c3ccccn3)C(=O)N12 ZINC000016682849 556151498 /nfs/dbraw/zinc/15/14/98/556151498.db2.gz 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RXWJLCIDUTZFEM-FQEVSTJZSA-N 0 0 489.638 3.103 40 0 JGABRN CCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccccc1OCC)S(C)(=O)=O ZINC000224717568 569954599 /nfs/dbraw/zinc/95/45/99/569954599.db2.gz FGABUIUPZFRYGC-FQEVSTJZSA-N 0 0 489.638 3.103 40 0 JGABRN CCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(C)cc1)S(C)(=O)=O ZINC000224715938 569954600 /nfs/dbraw/zinc/95/46/00/569954600.db2.gz FHCUBWRQBKPJOX-FQEVSTJZSA-N 0 0 459.612 3.013 40 0 JGABRN Cc1cccc(CN(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)[C@@H](C)C(=O)NC2CCCCC2)c1 ZINC000224718259 569954658 /nfs/dbraw/zinc/95/46/58/569954658.db2.gz KPKALGNJTBTHHG-IBGZPJMESA-N 0 0 497.617 3.006 40 0 JGABRN COc1ccc(OC)c(N(Cc2ccc(C(=O)NCCOc3ccccc3)cc2)S(C)(=O)=O)c1 ZINC000224720707 569954692 /nfs/dbraw/zinc/95/46/92/569954692.db2.gz NNHXDRPEBDHABG-UHFFFAOYSA-N 0 0 484.574 3.479 40 0 JGABRN O=C(NCc1cccc(CN2CCOCC2)c1)c1cccc(NS(=O)(=O)c2ccccc2)c1 ZINC000224727073 569954959 /nfs/dbraw/zinc/95/49/59/569954959.db2.gz SBMGDWXJKGWNPO-UHFFFAOYSA-N 0 0 465.575 3.250 40 0 JGABRN CC[C@@H](C(=O)NCc1cccc(CN2CCOCC2)c1)N(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000224734536 569955376 /nfs/dbraw/zinc/95/53/76/569955376.db2.gz UDRMHSBFRVZIGA-QFIPXVFZSA-N 0 0 480.030 3.033 40 0 JGABRN CC[C@H](C(=O)NCc1cccc(CN2CCOCC2)c1)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000224734348 569955384 /nfs/dbraw/zinc/95/53/84/569955384.db2.gz WRTZHOVWOBTQJE-JOCHJYFZSA-N 0 0 480.030 3.033 40 0 JGABRN Cc1ccc(CN(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)[C@@H](C)C(=O)NC2CCCCC2)cc1 ZINC000224745571 569955826 /nfs/dbraw/zinc/95/58/26/569955826.db2.gz QGQGNNFLWNZMIM-IBGZPJMESA-N 0 0 497.617 3.006 40 0 JGABRN CCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccccc1Cl)S(C)(=O)=O ZINC000224753238 569956043 /nfs/dbraw/zinc/95/60/43/569956043.db2.gz XLEPFSAYCHZQGY-SFHVURJKSA-N 0 0 480.030 3.358 40 0 JGABRN CCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000224753420 569956066 /nfs/dbraw/zinc/95/60/66/569956066.db2.gz YNUAHOMSLWVZGZ-GOSISDBHSA-N 0 0 480.030 3.358 40 0 JGABRN CCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccccc1OCC)S(C)(=O)=O ZINC000224753976 569956128 /nfs/dbraw/zinc/95/61/28/569956128.db2.gz HWANUSVDLCZYHQ-HXUWFJFHSA-N 0 0 489.638 3.103 40 0 JGABRN Cc1cccc(OCCNC(=O)c2ccc(CN(c3ccc4c(c3)OCO4)S(C)(=O)=O)cc2)c1 ZINC000224758086 569956335 /nfs/dbraw/zinc/95/63/35/569956335.db2.gz JQODQAVCTDPDQD-UHFFFAOYSA-N 0 0 482.558 3.499 40 0 JGABRN COc1ccccc1OCCNC(=O)CCCN(c1cc(Cl)ccc1OC)S(C)(=O)=O ZINC000224760296 569956422 /nfs/dbraw/zinc/95/64/22/569956422.db2.gz NTLLFSGZKIPTSI-UHFFFAOYSA-N 0 0 470.975 3.099 40 0 JGABRN COc1ccc(OCCNC(=O)CCCN(c2cc(Cl)ccc2OC)S(C)(=O)=O)cc1 ZINC000224760565 569956493 /nfs/dbraw/zinc/95/64/93/569956493.db2.gz FMUOTUPTUMEOBU-UHFFFAOYSA-N 0 0 470.975 3.099 40 0 JGABRN COc1cccc(OCCNC(=O)CCCN(c2ccccc2C(F)(F)F)S(C)(=O)=O)c1 ZINC000224782372 569957395 /nfs/dbraw/zinc/95/73/95/569957395.db2.gz XFFRPVNAEFJEFD-UHFFFAOYSA-N 0 0 474.501 3.455 40 0 JGABRN CCCNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1cccc(C)c1)S(C)(=O)=O ZINC000224788075 569957602 /nfs/dbraw/zinc/95/76/02/569957602.db2.gz SCGKHHNCZQTCJT-GOSISDBHSA-N 0 0 480.030 3.358 40 0 JGABRN COc1ccc(C(=O)NC[C@@H]2CCCO2)cc1CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000224788623 569957622 /nfs/dbraw/zinc/95/76/22/569957622.db2.gz NGRHZEIZVABSQX-SFHVURJKSA-N 0 0 452.960 3.078 40 0 JGABRN CCCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 ZINC000224804046 569958310 /nfs/dbraw/zinc/95/83/10/569958310.db2.gz XCRCMTGOPXSRKX-SFHVURJKSA-N 0 0 480.030 3.212 40 0 JGABRN CCOc1ccc(C(=O)Nc2ccc(C(N)=O)cc2)cc1CN(C)S(=O)(=O)c1ccccc1 ZINC000224815198 569958854 /nfs/dbraw/zinc/95/88/54/569958854.db2.gz KPBORQRNXKVNAG-UHFFFAOYSA-N 0 0 467.547 3.257 40 0 JGABRN CCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccccc1F)S(C)(=O)=O ZINC000224825620 569959313 /nfs/dbraw/zinc/95/93/13/569959313.db2.gz XGNIKRSKPINHSN-MRXNPFEDSA-N 0 0 483.993 3.189 40 0 JGABRN C[C@@H](C(=O)NC1CCCCC1)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1)S(C)(=O)=O ZINC000224827337 569959409 /nfs/dbraw/zinc/95/94/09/569959409.db2.gz STRWNWZRBDWDHR-IBGZPJMESA-N 0 0 489.613 3.458 40 0 JGABRN CCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O ZINC000224830816 569959502 /nfs/dbraw/zinc/95/95/02/569959502.db2.gz GDQZGAJVWXRHCY-MRXNPFEDSA-N 0 0 483.993 3.189 40 0 JGABRN CCCNC(=O)[C@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O ZINC000224830858 569959532 /nfs/dbraw/zinc/95/95/32/569959532.db2.gz GDQZGAJVWXRHCY-INIZCTEOSA-N 0 0 483.993 3.189 40 0 JGABRN CCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(C)c(Cl)c1)S(C)(=O)=O ZINC000224860683 569960573 /nfs/dbraw/zinc/96/05/73/569960573.db2.gz PVGSUFKDOZPQHS-KRWDZBQOSA-N 0 0 498.020 3.497 40 0 JGABRN CCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CCCN(c1ccccc1F)S(C)(=O)=O ZINC000224876596 569961366 /nfs/dbraw/zinc/96/13/66/569961366.db2.gz DKEFRAFTYCKXQK-SFHVURJKSA-N 0 0 495.592 3.455 40 0 JGABRN CCc1ccc([C@@H](C)NC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCN(C)CC3)c2)cc1 ZINC000224883724 569961812 /nfs/dbraw/zinc/96/18/12/569961812.db2.gz WXIOEEZAKGSISJ-MRXNPFEDSA-N 0 0 450.004 3.330 40 0 JGABRN CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)Nc1ccccc1C(=O)NCc1ccco1 ZINC000224898400 569962337 /nfs/dbraw/zinc/96/23/37/569962337.db2.gz NJMLMTDWEPQULD-JOCHJYFZSA-N 0 0 485.562 3.402 40 0 JGABRN COc1ccc(CNC(=O)CCCN(c2ccc(OC(C)C)cc2)S(C)(=O)=O)cc1OC ZINC000224906612 569962779 /nfs/dbraw/zinc/96/27/79/569962779.db2.gz PVJGRFNVPRAAIZ-UHFFFAOYSA-N 0 0 464.584 3.354 40 0 JGABRN COc1cccc(OCCNC(=O)CCCN(c2ccc(OC(C)C)cc2)S(C)(=O)=O)c1 ZINC000224906487 569962794 /nfs/dbraw/zinc/96/27/94/569962794.db2.gz NXGHQSVICVEBBN-UHFFFAOYSA-N 0 0 464.584 3.224 40 0 JGABRN CC[C@@H](C(=O)NCC(C)C)N(Cc1ccc(OC)cc1)C(=O)CN(c1ccccc1)S(C)(=O)=O ZINC000224919656 569963406 /nfs/dbraw/zinc/96/34/06/569963406.db2.gz DKXDQZLPUMHFCF-QHCPKHFHSA-N 0 0 489.638 3.041 40 0 JGABRN COc1ccc([C@@H](CC(C)C)NS(=O)(=O)c2ccc(OC)c(N3C(=O)CCC3=O)c2)cc1 ZINC000224936276 569964042 /nfs/dbraw/zinc/96/40/42/569964042.db2.gz KPESPJHRUIUDMY-LJQANCHMSA-N 0 0 460.552 3.423 40 0 JGABRN C[C@H](C(=O)Nc1ccc(I)cc1)N(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000224947405 569964459 /nfs/dbraw/zinc/96/44/59/569964459.db2.gz VDIWZFVKDRQEGL-SNVBAGLBSA-N 0 0 480.274 3.363 40 0 JGABRN COCCCNC(=O)CN(c1ccc(OC)c(Cl)c1)S(=O)(=O)c1cc(C)ccc1OC ZINC000408593874 569965139 /nfs/dbraw/zinc/96/51/39/569965139.db2.gz OSLCXIPUCJVCHS-UHFFFAOYSA-N 0 0 470.975 3.014 40 0 JGABRN C[C@H](C(=O)Nc1ccc(N2CCCCC2)cc1)N(c1ccc2c(c1)OCCO2)S(C)(=O)=O ZINC000224958554 569965287 /nfs/dbraw/zinc/96/52/87/569965287.db2.gz KNNAJYKBYFFJMT-QGZVFWFLSA-N 0 0 459.568 3.241 40 0 JGABRN CC[C@@H](C(=O)NCC(C)C)N(CCc1ccccc1)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O ZINC000224958091 569965289 /nfs/dbraw/zinc/96/52/89/569965289.db2.gz QZIAHJFRDAIBJK-QHCPKHFHSA-N 0 0 491.629 3.214 40 0 JGABRN COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCN(c3cc(Cl)ccc3C)CC2)cc1Cl ZINC000408594212 569965363 /nfs/dbraw/zinc/96/53/63/569965363.db2.gz PBXHODMWQGALAP-HNNXBMFYSA-N 0 0 486.421 3.326 40 0 JGABRN COC(=O)c1c(NC(=O)c2cccc(I)c2)sc2c1CCN(C)C2 ZINC000224965375 569965578 /nfs/dbraw/zinc/96/55/78/569965578.db2.gz FMYRDZKUIIOYKX-UHFFFAOYSA-N 0 0 456.305 3.380 40 0 JGABRN CCn1c(SCC(=O)Nc2cccc(C(=O)OC)c2)nnc1[C@H](C)NC(=O)c1ccc(OC)cc1 ZINC000408594985 569965809 /nfs/dbraw/zinc/96/58/09/569965809.db2.gz DXQRPIZLXAFLCM-HNNXBMFYSA-N 0 0 497.577 3.315 40 0 JGABRN COc1ccc(S(=O)(=O)N2CCC[C@H](C(=O)N3CCN(c4cccc(C)c4C)CC3)C2)cc1C ZINC000408594949 569965831 /nfs/dbraw/zinc/96/58/31/569965831.db2.gz RKCULDAKCKSDKW-QFIPXVFZSA-N 0 0 485.650 3.370 40 0 JGABRN CCOc1ccc(S(=O)(=O)N2CCC(C(=O)NCc3ccccc3OC)CC2)cc1Cl ZINC000408594942 569965839 /nfs/dbraw/zinc/96/58/39/569965839.db2.gz RJCBZWLODDXCOD-UHFFFAOYSA-N 0 0 466.987 3.464 40 0 JGABRN COc1ccc(C(=O)N[C@@H](C)c2nnc(SCC(=O)Nc3cc(F)ccc3C)n2C)cc1 ZINC000408595326 569966078 /nfs/dbraw/zinc/96/60/78/569966078.db2.gz HGBHUXGGTMBARK-AWEZNQCLSA-N 0 0 457.531 3.493 40 0 JGABRN COc1ccc(N([C@@H](C)C(=O)Nc2ccc(N3CCCCC3)cc2)S(C)(=O)=O)cc1OC ZINC000224971487 569966136 /nfs/dbraw/zinc/96/61/36/569966136.db2.gz AQAQGABUALSZOJ-KRWDZBQOSA-N 0 0 461.584 3.487 40 0 JGABRN CCOC(=O)c1ccc(NC(=O)CSc2nnc([C@H](C)NC(=O)c3ccc(OC)cc3)n2C)cc1 ZINC000408596557 569966855 /nfs/dbraw/zinc/96/68/55/569966855.db2.gz RLJYSPAEDGXVPX-HNNXBMFYSA-N 0 0 497.577 3.222 40 0 JGABRN COc1cc(NC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(OC)c(OC)c3)C2)c(OC)cc1Cl ZINC000408596949 569967086 /nfs/dbraw/zinc/96/70/86/569967086.db2.gz VFYBHDPCYBSERJ-AWEZNQCLSA-N 0 0 498.985 3.414 40 0 JGABRN O=C(COc1ccc(S(=O)(=O)NC2CCCC2)cc1Cl)Nc1ccc2c(c1)OCO2 ZINC000408597723 569967596 /nfs/dbraw/zinc/96/75/96/569967596.db2.gz XNDRLAUWHSUPSA-UHFFFAOYSA-N 0 0 452.916 3.307 40 0 JGABRN COc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCN(C/C=C/c4ccccc4)CC3)C2)cc1C ZINC000408597721 569967639 /nfs/dbraw/zinc/96/76/39/569967639.db2.gz XMQCRDOTOHHJPQ-JHEAYKPVSA-N 0 0 497.661 3.262 40 0 JGABRN CCCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O ZINC000224988447 569967701 /nfs/dbraw/zinc/96/77/01/569967701.db2.gz PZGDRQVGUBJEHM-QGZVFWFLSA-N 0 0 496.029 3.058 40 0 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Cc1cccc(N(CC(=O)N(Cc2ccccc2F)[C@@H](C)C(=O)NC(C)C)S(C)(=O)=O)c1C ZINC000224656227 569952460 /nfs/dbraw/zinc/95/24/60/569952460.db2.gz VPYFZWBCAAFRKY-IBGZPJMESA-N 0 0 477.602 3.150 40 0 JGABRN CCCNC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CCCN(c1ccccc1C)S(C)(=O)=O ZINC000224662416 569952673 /nfs/dbraw/zinc/95/26/73/569952673.db2.gz WIDIMCKOKQIVGN-OAQYLSRUSA-N 0 0 473.639 3.485 40 0 JGABRN CC(C)NC(=O)[C@@H](C)N(Cc1ccccc1F)C(=O)CCCN(c1ccccc1)S(C)(=O)=O ZINC000224667803 569952909 /nfs/dbraw/zinc/95/29/09/569952909.db2.gz ITKUNFSOJIMKQB-LJQANCHMSA-N 0 0 477.602 3.314 40 0 JGABRN C[C@H](C(=O)NC1CCCCC1)N(Cc1ccccc1)C(=O)CCN1C(=O)c2ccccc2S1(=O)=O ZINC000224672220 569953131 /nfs/dbraw/zinc/95/31/31/569953131.db2.gz AXKPGDGDPWSERI-LJQANCHMSA-N 0 0 497.617 3.087 40 0 JGABRN CCOc1ccc([C@@H](C)NS(=O)(=O)c2ccc(OC)c(N3C(=O)CCC3=O)c2)cc1OCC ZINC000224674624 569953172 /nfs/dbraw/zinc/95/31/72/569953172.db2.gz IAIMXKIIMFENDX-OAHLLOKOSA-N 0 0 476.551 3.186 40 0 JGABRN COc1ccccc1OCCNC(=O)CCCN(c1cccc(Br)c1)S(C)(=O)=O ZINC000224674281 569953201 /nfs/dbraw/zinc/95/32/01/569953201.db2.gz PCKZYICDGZLYGR-UHFFFAOYSA-N 0 0 485.400 3.199 40 0 JGABRN CS(=O)(=O)N(CCCC(=O)NCCOc1ccc(F)cc1)c1cccc(Br)c1 ZINC000224675154 569953247 /nfs/dbraw/zinc/95/32/47/569953247.db2.gz CGGZPOGSFZNEKX-UHFFFAOYSA-N 0 0 473.364 3.330 40 0 JGABRN C[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1F)C(=O)CN(c1ccccc1)S(C)(=O)=O ZINC000224681225 569953442 /nfs/dbraw/zinc/95/34/42/569953442.db2.gz VYDLRXMDCQZNAZ-GOSISDBHSA-N 0 0 475.586 3.068 40 0 JGABRN C[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1F)C(=O)CN(c1ccccc1F)S(C)(=O)=O ZINC000224683266 569953471 /nfs/dbraw/zinc/95/34/71/569953471.db2.gz WUXQTJJNFJWSDJ-KRWDZBQOSA-N 0 0 493.576 3.207 40 0 JGABRN COc1ccc(N(Cc2ccc(C(=O)NCCOc3ccccc3)cc2)S(C)(=O)=O)cc1 ZINC000224696185 569953880 /nfs/dbraw/zinc/95/38/80/569953880.db2.gz RAZYSGMWUJSCSF-UHFFFAOYSA-N 0 0 454.548 3.470 40 0 JGABRN COc1ccc(N(CCCC(=O)NCCOc2ccc(Cl)cc2)S(C)(=O)=O)c(OC)c1 ZINC000224710071 569954440 /nfs/dbraw/zinc/95/44/40/569954440.db2.gz OCDOLJCWYAEQCR-UHFFFAOYSA-N 0 0 470.975 3.099 40 0 JGABRN CCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccccc1C)S(C)(=O)=O ZINC000224715660 569954529 /nfs/dbraw/zinc/95/45/29/569954529.db2.gz SALOVJRHWPWTIX-HXUWFJFHSA-N 0 0 459.612 3.013 40 0 JGABRN CCCNC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000224716338 569954583 /nfs/dbraw/zinc/95/45/83/569954583.db2.gz PHAQPEWNSIVBPW-OAQYLSRUSA-N 0 0 473.639 3.321 40 0 JGABRN CCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1cc(C)ccc1C)S(C)(=O)=O ZINC000224716157 569954597 /nfs/dbraw/zinc/95/45/97/569954597.db2.gz PYWWLOLGWCGZJH-NRFANRHFSA-N 0 0 473.639 3.321 40 0 JGABRN CCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1cc(C)cc(C)c1)S(C)(=O)=O ZINC000224716272 569954602 /nfs/dbraw/zinc/95/46/02/569954602.db2.gz QRKCBNDCBNLMOT-NRFANRHFSA-N 0 0 473.639 3.321 40 0 JGABRN CCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O ZINC000224716852 569954620 /nfs/dbraw/zinc/95/46/20/569954620.db2.gz OYURDEFZOPETBP-SFHVURJKSA-N 0 0 480.030 3.358 40 0 JGABRN CCCNC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1cc(C)ccc1OC)S(C)(=O)=O ZINC000224718726 569954641 /nfs/dbraw/zinc/95/46/41/569954641.db2.gz CQRDCCYERUSLEB-FQEVSTJZSA-N 0 0 489.638 3.022 40 0 JGABRN CCc1ccc(OCCNC(=O)CCCN(c2cc(OC)ccc2OC)S(C)(=O)=O)cc1 ZINC000224719193 569954643 /nfs/dbraw/zinc/95/46/43/569954643.db2.gz NMORENBBSYTGSH-UHFFFAOYSA-N 0 0 464.584 3.008 40 0 JGABRN Cc1cccc(CN(C(=O)CN2C(=O)c3ccccc3S2(=O)=O)[C@H](C)C(=O)NC2CCCCC2)c1 ZINC000224718303 569954648 /nfs/dbraw/zinc/95/46/48/569954648.db2.gz KPKALGNJTBTHHG-LJQANCHMSA-N 0 0 497.617 3.006 40 0 JGABRN COc1cccc(N(CCCC(=O)N2CCN(C/C=C/c3ccccc3)CC2)S(C)(=O)=O)c1 ZINC000224725452 569954843 /nfs/dbraw/zinc/95/48/43/569954843.db2.gz ACTSHGZYYFPGJH-YRNVUSSQSA-N 0 0 471.623 3.099 40 0 JGABRN COc1ccc(OCCNC(=O)c2ccc(CN(c3ccccc3OC)S(C)(=O)=O)cc2)cc1 ZINC000224741628 569955626 /nfs/dbraw/zinc/95/56/26/569955626.db2.gz OYUCULNERLJUTE-UHFFFAOYSA-N 0 0 484.574 3.479 40 0 JGABRN O=C(NCc1cccc(CN2CCOCC2)c1)c1cccc(S(=O)(=O)N2CCCCCC2)c1 ZINC000224744048 569955737 /nfs/dbraw/zinc/95/57/37/569955737.db2.gz XRZOSKNUPFWZJF-UHFFFAOYSA-N 0 0 471.623 3.014 40 0 JGABRN CC[C@@H](C(=O)NCc1cccc(CN2CCOCC2)c1)N(c1cc(Cl)ccc1C)S(C)(=O)=O ZINC000224747341 569955898 /nfs/dbraw/zinc/95/58/98/569955898.db2.gz VGNCHKVFYPBJAD-QFIPXVFZSA-N 0 0 494.057 3.342 40 0 JGABRN CCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1cccc(C)c1)S(C)(=O)=O ZINC000224752307 569956031 /nfs/dbraw/zinc/95/60/31/569956031.db2.gz HERJBDAIQPWCDD-HXUWFJFHSA-N 0 0 459.612 3.013 40 0 JGABRN CCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000224752859 569956048 /nfs/dbraw/zinc/95/60/48/569956048.db2.gz JUYDLMLNBIPLOE-OAQYLSRUSA-N 0 0 473.639 3.321 40 0 JGABRN CCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(C)cc1)S(C)(=O)=O ZINC000224752465 569956060 /nfs/dbraw/zinc/95/60/60/569956060.db2.gz ZRZLOAGHRHIZCZ-FQEVSTJZSA-N 0 0 459.612 3.013 40 0 JGABRN CCCNC(=O)[C@H](C)N(Cc1ccc(C)cc1)C(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O ZINC000224761198 569956475 /nfs/dbraw/zinc/95/64/75/569956475.db2.gz CPEJORRLZHAIAT-KRWDZBQOSA-N 0 0 498.020 3.497 40 0 JGABRN COc1ccc(C)cc1N(CCCC(=O)NCCOc1ccccc1Cl)S(C)(=O)=O ZINC000224763694 569956616 /nfs/dbraw/zinc/95/66/16/569956616.db2.gz DOSOBODKERKAHU-UHFFFAOYSA-N 0 0 454.976 3.398 40 0 JGABRN CCCNC(=O)[C@@H](C)N(Cc1ccc(C)cc1)C(=O)CCCN(c1ccccc1)S(C)(=O)=O ZINC000224769379 569956823 /nfs/dbraw/zinc/95/68/23/569956823.db2.gz WJUIVESCSDSGGH-OAQYLSRUSA-N 0 0 473.639 3.485 40 0 JGABRN COc1ccc(C(=O)Nc2ccc3c(c2)OCO3)cc1CN(C)S(=O)(=O)c1ccccc1 ZINC000224770731 569956906 /nfs/dbraw/zinc/95/69/06/569956906.db2.gz RIMZIVPTJCAEIU-UHFFFAOYSA-N 0 0 454.504 3.497 40 0 JGABRN COc1ccc(C(=O)Nc2ccc(C(N)=O)cc2)cc1CN(C)S(=O)(=O)c1ccc(C)cc1 ZINC000224782267 569957312 /nfs/dbraw/zinc/95/73/12/569957312.db2.gz UNIIDDMPBNDSPK-UHFFFAOYSA-N 0 0 467.547 3.176 40 0 JGABRN CCCNC(=O)[C@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccccc1)S(C)(=O)=O ZINC000224787901 569957576 /nfs/dbraw/zinc/95/75/76/569957576.db2.gz DRWICNPUXWUVRF-KRWDZBQOSA-N 0 0 466.003 3.050 40 0 JGABRN CC[C@@H](Oc1ccc(N(C)S(C)(=O)=O)cc1)C(=O)NCc1ccc(OC(C)C)c(OC)c1 ZINC000224817296 569958970 /nfs/dbraw/zinc/95/89/70/569958970.db2.gz CSFQXUMZSQUXDI-HXUWFJFHSA-N 0 0 464.584 3.352 40 0 JGABRN CCCNC(=O)[C@@H](C)N(Cc1ccc(Cl)cc1)C(=O)CN(c1cccc(OC)c1)S(C)(=O)=O ZINC000224824648 569959300 /nfs/dbraw/zinc/95/93/00/569959300.db2.gz NBYSZEWQKKSSOX-QGZVFWFLSA-N 0 0 496.029 3.058 40 0 JGABRN COc1ccc(N(CCCC(=O)NCCSCc2ccccc2F)S(C)(=O)=O)cc1 ZINC000224831399 569959518 /nfs/dbraw/zinc/95/95/18/569959518.db2.gz DPEAZRYJZFQCAL-UHFFFAOYSA-N 0 0 454.589 3.430 40 0 JGABRN COc1ccc(C)cc1N([C@@H](C)C(=O)Nc1nnc(SCC(C)C)s1)S(C)(=O)=O ZINC000224832135 569959556 /nfs/dbraw/zinc/95/95/56/569959556.db2.gz NUHQYGDLKAGQKF-ZDUSSCGKSA-N 0 0 458.631 3.396 40 0 JGABRN CCOc1ccc(C(=O)N2CCN(CC)CC2)cc1CN(C)S(=O)(=O)c1ccc(Cl)cc1 ZINC000224838593 569959830 /nfs/dbraw/zinc/95/98/30/569959830.db2.gz ZJMNGXIXQAGXTA-UHFFFAOYSA-N 0 0 480.030 3.337 40 0 JGABRN CCCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CCCN(c1ccc(F)cc1)S(C)(=O)=O ZINC000224869561 569961061 /nfs/dbraw/zinc/96/10/61/569961061.db2.gz FNBCPNDQEWXHHB-SFHVURJKSA-N 0 0 495.592 3.455 40 0 JGABRN CCOc1ccc(-c2noc(CNC(=O)[C@@H](CC)Oc3ccc(N(C)S(C)(=O)=O)cc3)n2)cc1 ZINC000224872432 569961097 /nfs/dbraw/zinc/96/10/97/569961097.db2.gz PIMCSOCRRLKGCH-HXUWFJFHSA-N 0 0 488.566 3.005 40 0 JGABRN COc1ccc(-c2cnc(CCC(=O)N3CCN(Cc4ccc5c(c4)OCO5)CC3)o2)c(OC)c1 ZINC000224871385 569961145 /nfs/dbraw/zinc/96/11/45/569961145.db2.gz RGALXGVXWNMRDC-UHFFFAOYSA-N 0 0 479.533 3.365 40 0 JGABRN COc1cccc(OCCNC(=O)CCCN(c2ccccc2SC)S(C)(=O)=O)c1 ZINC000224879862 569961546 /nfs/dbraw/zinc/96/15/46/569961546.db2.gz KGGJZTQTWGFZHG-UHFFFAOYSA-N 0 0 452.598 3.159 40 0 JGABRN CN1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)Nc3ccc(OC(F)(F)F)cc3)c2)CC1 ZINC000224887228 569961906 /nfs/dbraw/zinc/96/19/06/569961906.db2.gz DFKRMRCGJDCLJT-UHFFFAOYSA-N 0 0 477.892 3.427 40 0 JGABRN CC[C@@H](C(=O)NCC(C)C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1)S(C)(=O)=O ZINC000224887843 569961991 /nfs/dbraw/zinc/96/19/91/569961991.db2.gz OHYIZVBENUERJZ-QHCPKHFHSA-N 0 0 489.638 3.041 40 0 JGABRN Cc1ccc(-c2noc(CN(C)S(=O)(=O)c3nnc(NC(=O)c4ccccc4C)s3)n2)cc1 ZINC000224896510 569962229 /nfs/dbraw/zinc/96/22/29/569962229.db2.gz WSZVVBXADPMJAE-UHFFFAOYSA-N 0 0 484.563 3.278 40 0 JGABRN CS(=O)(=O)N(CCCC(=O)NCCOc1ccc(F)cc1)c1ccc(Br)cc1F ZINC000224894573 569962250 /nfs/dbraw/zinc/96/22/50/569962250.db2.gz HNAWOUQICLQHMF-UHFFFAOYSA-N 0 0 491.354 3.469 40 0 JGABRN COc1ccc(OCCNC(=O)CCCN(c2ccc(OC(C)C)cc2)S(C)(=O)=O)cc1 ZINC000224906544 569962796 /nfs/dbraw/zinc/96/27/96/569962796.db2.gz CMXCDBSYHKHCRQ-UHFFFAOYSA-N 0 0 464.584 3.224 40 0 JGABRN CC[C@H](C)NC(=O)c1ccccc1NC(=O)CCCN(c1cccc(OC)c1)S(C)(=O)=O ZINC000224908519 569962891 /nfs/dbraw/zinc/96/28/91/569962891.db2.gz VBXDZRPULLJGNL-KRWDZBQOSA-N 0 0 461.584 3.408 40 0 JGABRN COC(=O)c1ccccc1NC(=O)CCc1cc(S(=O)(=O)N2CCCCC2)ccc1OC ZINC000224926171 569963666 /nfs/dbraw/zinc/96/36/66/569963666.db2.gz YPFVLSHCKMLZLE-UHFFFAOYSA-N 0 0 460.552 3.228 40 0 JGABRN COc1ccc([C@H](CC(C)C)NS(=O)(=O)c2ccc(OC)c(N3C(=O)CCC3=O)c2)cc1 ZINC000224936320 569964065 /nfs/dbraw/zinc/96/40/65/569964065.db2.gz KPESPJHRUIUDMY-IBGZPJMESA-N 0 0 460.552 3.423 40 0 JGABRN COc1ccc(CNC(=O)COc2ccc(S(=O)(=O)NC3CCCC3)cc2Cl)cc1 ZINC000408593832 569965128 /nfs/dbraw/zinc/96/51/28/569965128.db2.gz OLQAUGZSZCKZHZ-UHFFFAOYSA-N 0 0 452.960 3.265 40 0 JGABRN Cc1ccc(NC(=O)COc2ccc(S(=O)(=O)N3CCOCC3)cc2Cl)cc1Cl ZINC000408594261 569965404 /nfs/dbraw/zinc/96/54/04/569965404.db2.gz OFBMJPXTRZSERG-UHFFFAOYSA-N 0 0 459.351 3.340 40 0 JGABRN O=C(COc1ccc(S(=O)(=O)Nc2ccc(Br)cc2)cc1)NCCCn1ccnc1 ZINC000408595005 569965898 /nfs/dbraw/zinc/96/58/98/569965898.db2.gz RPUQHVXOZDJRLN-UHFFFAOYSA-N 0 0 493.383 3.032 40 0 JGABRN COc1ccc(C(=O)N[C@H](C)c2nnc(SCC(=O)Nc3cc(F)ccc3C)n2C)cc1 ZINC000408595327 569966126 /nfs/dbraw/zinc/96/61/26/569966126.db2.gz HGBHUXGGTMBARK-CQSZACIVSA-N 0 0 457.531 3.493 40 0 JGABRN COc1ccc(OC)c(N([C@@H](C)C(=O)Nc2ccc(N3CCCCC3)cc2)S(C)(=O)=O)c1 ZINC000224971432 569966140 /nfs/dbraw/zinc/96/61/40/569966140.db2.gz NBGIOBFAMUJXNW-KRWDZBQOSA-N 0 0 461.584 3.487 40 0 JGABRN COc1ccc(OC)c(NC(=O)C2CCN(S(=O)(=O)c3cc(Cl)ccc3OC)CC2)c1 ZINC000408595827 569966543 /nfs/dbraw/zinc/96/65/43/569966543.db2.gz VAZYOXDVRVHWGQ-UHFFFAOYSA-N 0 0 468.959 3.405 40 0 JGABRN CCn1c(CNC(=O)c2ccc(OC)c(OC)c2)nnc1SCC(=O)Nc1ccc(F)cc1 ZINC000408596082 569966607 /nfs/dbraw/zinc/96/66/07/569966607.db2.gz PGCVGLHZUVRSNM-UHFFFAOYSA-N 0 0 473.530 3.115 40 0 JGABRN CCn1c(SCC(=O)Nc2ccc(C(=O)OC)cc2)nnc1[C@@H](C)NC(=O)c1ccc(OC)cc1 ZINC000408596527 569966819 /nfs/dbraw/zinc/96/68/19/569966819.db2.gz QSLZWGCWMRDJPY-OAHLLOKOSA-N 0 0 497.577 3.315 40 0 JGABRN CCn1c(SCC(=O)Nc2ccc(C(=O)OC)cc2)nnc1[C@H](C)NC(=O)c1ccc(OC)cc1 ZINC000408596524 569966863 /nfs/dbraw/zinc/96/68/63/569966863.db2.gz QSLZWGCWMRDJPY-HNNXBMFYSA-N 0 0 497.577 3.315 40 0 JGABRN CCOC(=O)c1ccc(NC(=O)CSc2nnc([C@@H](C)NC(=O)c3ccccc3F)n2C)cc1 ZINC000408596609 569966940 /nfs/dbraw/zinc/96/69/40/569966940.db2.gz SKWOSBQSMWVIDI-CQSZACIVSA-N 0 0 485.541 3.353 40 0 JGABRN CC[C@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O ZINC000224985949 569967428 /nfs/dbraw/zinc/96/74/28/569967428.db2.gz YDMHJGRPJBXUTH-ZWKOTPCHSA-N 0 0 480.030 3.438 40 0 JGABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1ccccc1Cl)S(C)(=O)=O ZINC000224985817 569967455 /nfs/dbraw/zinc/96/74/55/569967455.db2.gz CGGLDFJSXRHACS-QZTJIDSGSA-N 0 0 480.030 3.438 40 0 JGABRN CS(=O)(=O)N(CC(=O)Nc1ccc(N2CCOCC2)cc1)c1cc(Cl)cc(Cl)c1 ZINC000224987706 569967512 /nfs/dbraw/zinc/96/75/12/569967512.db2.gz OQUXYMKSTRWSTL-UHFFFAOYSA-N 0 0 458.367 3.235 40 0 JGABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1cc(C)ccc1OC)S(C)(=O)=O ZINC000224987366 569967555 /nfs/dbraw/zinc/96/75/55/569967555.db2.gz LTQZFWOCCIPBSC-WOJBJXKFSA-N 0 0 489.638 3.102 40 0 JGABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1ccccc1)C(=O)CN(c1c(C)cccc1C)S(C)(=O)=O ZINC000224988039 569967578 /nfs/dbraw/zinc/96/75/78/569967578.db2.gz PHOUCPALESFTEL-NHCUHLMSSA-N 0 0 473.639 3.401 40 0 JGABRN C[C@@H](NS(=O)(=O)c1ccc(OCC(=O)NCCCn2ccnc2)c(Cl)c1)c1ccccc1 ZINC000408597985 569967804 /nfs/dbraw/zinc/96/78/04/569967804.db2.gz YNCYZQUTUYYGDH-QGZVFWFLSA-N 0 0 476.986 3.161 40 0 JGABRN CC[C@@H](C(=O)Nc1ccc(N2CCOCC2)cc1)N(c1cccc(Cl)c1)S(C)(=O)=O ZINC000225001271 569968405 /nfs/dbraw/zinc/96/84/05/569968405.db2.gz HPFWSBNFHCHTSG-FQEVSTJZSA-N 0 0 451.976 3.360 40 0 JGABRN CSc1ccc(S(=O)(=O)Nc2ccc(N3CCOCC3)cc2)cc1C(=O)N1CCCC1 ZINC000225002510 569968506 /nfs/dbraw/zinc/96/85/06/569968506.db2.gz GIQOCACRUAUNPM-UHFFFAOYSA-N 0 0 461.609 3.282 40 0 JGABRN O=C(Nc1ccc(N2CCOCC2)cc1)C1CCN(S(=O)(=O)Cc2ccccc2Cl)CC1 ZINC000225003424 569968537 /nfs/dbraw/zinc/96/85/37/569968537.db2.gz HZQLEFNBYPJJHF-UHFFFAOYSA-N 0 0 478.014 3.357 40 0 JGABRN CCCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CCCN(C)S(=O)(=O)c1ccccc1 ZINC000225004098 569968668 /nfs/dbraw/zinc/96/86/68/569968668.db2.gz DDXLJZYLKYBXMI-HXUWFJFHSA-N 0 0 489.638 3.039 40 0 JGABRN CC[C@H](C)OC(=O)CN1C(=O)S/C(=C\c2ccc(OCC(=O)OC(C)C)c(OC)c2)C1=O ZINC000408600899 569968799 /nfs/dbraw/zinc/96/87/99/569968799.db2.gz GTMSEQMXTIWETK-KPYNCUPYSA-N 0 0 465.524 3.404 40 0 JGABRN COc1ccc(N(CCCC(=O)NCc2nc(-c3ccc(Cl)cc3)no2)S(C)(=O)=O)cc1 ZINC000225006650 569968862 /nfs/dbraw/zinc/96/88/62/569968862.db2.gz SRJMYJFDQJQNNT-UHFFFAOYSA-N 0 0 478.958 3.261 40 0 JGABRN COCCNC(=O)C(=O)Nn1c(C(=O)Nc2cc(Cl)cc(Cl)c2)cc2cccc(OC)c21 ZINC000408601107 569968948 /nfs/dbraw/zinc/96/89/48/569968948.db2.gz ABFCCPALMDNVPI-UHFFFAOYSA-N 0 0 479.320 3.042 40 0 JGABRN CCOc1ccccc1N(CCCC(=O)Nc1ccc(N2CCOCC2)cc1)S(C)(=O)=O ZINC000225012802 569969110 /nfs/dbraw/zinc/96/91/10/569969110.db2.gz PQDRRVWSKAABKJ-UHFFFAOYSA-N 0 0 461.584 3.107 40 0 JGABRN CCOC(=O)c1c(NC(=O)CN(c2ccccc2CC)S(C)(=O)=O)sc2c1CCC2 ZINC000408601705 569969266 /nfs/dbraw/zinc/96/92/66/569969266.db2.gz BIVGHYLNSVPGCL-UHFFFAOYSA-N 0 0 450.582 3.381 40 0 JGABRN Cc1ccc(C(=O)Nc2ccccc2C(=O)N2CCOCC2)c(I)c1 ZINC000225021041 569969681 /nfs/dbraw/zinc/96/96/81/569969681.db2.gz VCERYZOYTLFVSX-UHFFFAOYSA-N 0 0 450.276 3.324 40 0 JGABRN COc1cc(/C=C2\SC(=O)N(CC(=O)OCC(C)C)C2=O)ccc1OCC(=O)OC(C)C ZINC000408603407 569969881 /nfs/dbraw/zinc/96/98/81/569969881.db2.gz QPHRSQZMWODJBL-NVMNQCDNSA-N 0 0 465.524 3.261 40 0 JGABRN Cn1c(=O)sc2cc(NC(=O)CN(c3cccc(C(F)(F)F)c3)S(C)(=O)=O)ccc21 ZINC000225029090 569970232 /nfs/dbraw/zinc/97/02/32/569970232.db2.gz JFCZQUPIPCHUCD-UHFFFAOYSA-N 0 0 459.471 3.024 40 0 JGABRN COc1ccc(CCNC(=O)c2ccccc2NC(=O)[C@H]2COc3ccccc3O2)cc1OC ZINC000408604721 569970451 /nfs/dbraw/zinc/97/04/51/569970451.db2.gz HXDAWIUYWUZXBO-XMMPIXPASA-N 0 0 462.502 3.455 40 0 JGABRN C[C@@H](Oc1ccc(S(=O)(=O)N2CCN(c3ccccc3)CC2)cc1)C(=O)NC1CCCCC1 ZINC000408605302 569970737 /nfs/dbraw/zinc/97/07/37/569970737.db2.gz GAPDSLHYRFJYQE-HXUWFJFHSA-N 0 0 471.623 3.414 40 0 JGABRN CCOCCCNC(=O)[C@H](Cc1ccccc1)NS(=O)(=O)c1cc(Cl)ccc1Cl ZINC000408605902 569970977 /nfs/dbraw/zinc/97/09/77/569970977.db2.gz NVOJZDPQLXUEFU-SFHVURJKSA-N 0 0 459.395 3.426 40 0 JGABRN C[C@H](Oc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1)C(=O)N1CCOCC1 ZINC000408606374 569971110 /nfs/dbraw/zinc/97/11/10/569971110.db2.gz PBVLUKAFYDRCLT-AWEZNQCLSA-N 0 0 458.458 3.132 40 0 JGABRN COCCNC(=O)COc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1Cl ZINC000408606216 569971152 /nfs/dbraw/zinc/97/11/52/569971152.db2.gz OFVAUPRCQXAWKR-UHFFFAOYSA-N 0 0 466.865 3.301 40 0 JGABRN Cn1c(=O)sc2cc(NC(=O)c3cc(S(=O)(=O)N4CCCC4)ccc3Cl)ccc21 ZINC000225041660 569971177 /nfs/dbraw/zinc/97/11/77/569971177.db2.gz AHTKLYQZXDTNFJ-UHFFFAOYSA-N 0 0 451.957 3.290 40 0 JGABRN COc1ccc(S(=O)(=O)N2CCCCCC2)cc1C(=O)Nc1ccc2c(c1)sc(=O)n2C ZINC000225041996 569971300 /nfs/dbraw/zinc/97/13/00/569971300.db2.gz QFPRSEAFUGMKAJ-UHFFFAOYSA-N 0 0 475.592 3.426 40 0 JGABRN COc1ccc(N(CC(=O)Nc2nnc(SCc3ccccc3)s2)S(C)(=O)=O)cc1OC ZINC000225049154 569971677 /nfs/dbraw/zinc/97/16/77/569971677.db2.gz VTRXEAJXCXVIQF-UHFFFAOYSA-N 0 0 494.620 3.252 40 0 JGABRN Cc1ccc(CS(=O)(=O)N2CCC(C(=O)Nc3ccc4c(c3)sc(=O)n4C)CC2)cc1 ZINC000225050752 569971928 /nfs/dbraw/zinc/97/19/28/569971928.db2.gz RLJWMULTWMJDOY-UHFFFAOYSA-N 0 0 459.593 3.089 40 0 JGABRN CCCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1c(C)cccc1C)S(C)(=O)=O ZINC000225052960 569972075 /nfs/dbraw/zinc/97/20/75/569972075.db2.gz PTFDQJDXYRAYDH-OAQYLSRUSA-N 0 0 473.639 3.055 40 0 JGABRN Cn1c2ccc(NC(=O)[C@@H]3CN(S(C)(=O)=O)c4cc(C(C)(C)C)ccc4O3)cc2sc1=O ZINC000225054355 569972167 /nfs/dbraw/zinc/97/21/67/569972167.db2.gz FHQAIXLNEQPXAY-SFHVURJKSA-N 0 0 475.592 3.063 40 0 JGABRN CSc1ccc(S(=O)(=O)N2CCC(C(=O)Nc3ccc4c(c3)sc(=O)n4C)CC2)cc1 ZINC000225057342 569972370 /nfs/dbraw/zinc/97/23/70/569972370.db2.gz YJDLJEBWFDKNRD-UHFFFAOYSA-N 0 0 477.633 3.361 40 0 JGABRN CS(=O)(=O)N(CC(=O)Nc1ccccc1C(=O)N1CCCCC1)c1cccc(Br)c1 ZINC000408610504 569972425 /nfs/dbraw/zinc/97/24/25/569972425.db2.gz RMIBOPQBPNIZAB-UHFFFAOYSA-N 0 0 494.411 3.480 40 0 JGABRN C[C@H](C(=O)Nc1ccc2c(c1)sc(=O)n2C)N(c1cccc(C(F)(F)F)c1)S(C)(=O)=O ZINC000225059889 569972651 /nfs/dbraw/zinc/97/26/51/569972651.db2.gz BHUMZABNATZXJJ-LLVKDONJSA-N 0 0 473.498 3.412 40 0 JGABRN O=C(COc1ccc(S(=O)(=O)N2CCOCC2)cc1Cl)Nc1ccc(F)c(Cl)c1 ZINC000408611250 569972667 /nfs/dbraw/zinc/97/26/67/569972667.db2.gz WICSUPOZLKQJFG-UHFFFAOYSA-N 0 0 463.314 3.171 40 0 JGABRN COc1cccc(N(CC(=O)N2CC(=O)Nc3ccccc32)S(=O)(=O)c2ccc(C)cc2)c1 ZINC000408611364 569972824 /nfs/dbraw/zinc/97/28/24/569972824.db2.gz UBZKHQSWTIOYNR-UHFFFAOYSA-N 0 0 465.531 3.184 40 0 JGABRN CC[C@@H](C)NC(=O)[C@@H](C)N(Cc1cccc(C)c1)C(=O)CN(c1cccc(C)c1)S(C)(=O)=O ZINC000225064659 569972946 /nfs/dbraw/zinc/97/29/46/569972946.db2.gz CQXROGJEQPOWJD-NHCUHLMSSA-N 0 0 473.639 3.401 40 0 JGABRN Cc1ccc(-c2nnc(NC(=O)[C@@H](C)N(c3ccc4c(c3)OCCO4)S(C)(=O)=O)s2)cc1 ZINC000225071576 569973385 /nfs/dbraw/zinc/97/33/85/569973385.db2.gz WRKOSEQQRALFHB-CQSZACIVSA-N 0 0 474.564 3.078 40 0 JGABRN Cc1cccc(N2CCN(C(=O)CN(c3cccc(C(F)(F)F)c3)S(C)(=O)=O)CC2)c1C ZINC000408613998 569973678 /nfs/dbraw/zinc/97/36/78/569973678.db2.gz ZNMZGEZXUQBTKD-UHFFFAOYSA-N 0 0 469.529 3.437 40 0 JGABRN CCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CN(c1ccc(Cl)cc1)S(C)(=O)=O ZINC000225082068 569973816 /nfs/dbraw/zinc/97/38/16/569973816.db2.gz GCVDRNJVRKZGPK-NRFANRHFSA-N 0 0 480.030 3.440 40 0 JGABRN CCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CN(c1ccc(OCC)cc1)S(C)(=O)=O ZINC000225082647 569973895 /nfs/dbraw/zinc/97/38/95/569973895.db2.gz YADNDANOFDECSI-QHCPKHFHSA-N 0 0 489.638 3.185 40 0 JGABRN CCCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O ZINC000225081974 569973899 /nfs/dbraw/zinc/97/38/99/569973899.db2.gz VPLYMVMIMLFULM-NRFANRHFSA-N 0 0 480.030 3.440 40 0 JGABRN CC[C@@H](C)NC(=O)[C@H](C)N(Cc1cccc(C)c1)C(=O)CCCN1C(=O)c2ccccc2S1(=O)=O ZINC000225083917 569973956 /nfs/dbraw/zinc/97/39/56/569973956.db2.gz PSMWTYOEUKHRSC-UXHICEINSA-N 0 0 499.633 3.252 40 0 JGABRN CC(C)c1ccc(CNC(=O)[C@H]2CC(=O)N(c3ccc(OCC(=O)N4CCCC4)cc3)C2)cc1 ZINC000408614506 569973957 /nfs/dbraw/zinc/97/39/57/569973957.db2.gz DBQUXMZRTQLZOQ-QFIPXVFZSA-N 0 0 463.578 3.481 40 0 JGABRN COc1ccccc1CNC(=O)[C@H]1CC(=O)N(c2ccc(OCC(=O)Nc3ccccc3)cc2)C1 ZINC000408614698 569974240 /nfs/dbraw/zinc/97/42/40/569974240.db2.gz GNZISLONYQSGSQ-FQEVSTJZSA-N 0 0 473.529 3.382 40 0 JGABRN CCc1cccc(C)c1NC(=O)COc1ccc(N2C[C@@H](C(=O)NCCCOC)CC2=O)cc1 ZINC000408614824 569974345 /nfs/dbraw/zinc/97/43/45/569974345.db2.gz IMJMNPWEPCVMPL-FQEVSTJZSA-N 0 0 467.566 3.081 40 0 JGABRN CCn1c2ccc(NS(=O)(=O)c3ccc(OC)c(I)c3)cc2sc1=O ZINC000225092303 569974556 /nfs/dbraw/zinc/97/45/56/569974556.db2.gz AMELUUYBXOIGRW-UHFFFAOYSA-N 0 0 490.344 3.497 40 0 JGABRN COc1ccc(N(CC(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)S(C)(=O)=O)cc1OC ZINC000225117290 569976007 /nfs/dbraw/zinc/97/60/07/569976007.db2.gz QGZJGECXRRPRDT-UHFFFAOYSA-N 0 0 482.971 3.280 40 0 JGABRN CCOc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCN(c3cccc(C)c3C)CC2)cc1C ZINC000408617261 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/nfs/dbraw/zinc/89/87/59/554898759.db2.gz FHZFSVQHORGVGB-KIHHCIJBSA-N 0 0 479.471 3.301 40 0 JGABRN CCc1nnc2sc(-c3ccc(CNC(=S)NC(=O)c4cccc(OC)c4)cc3)nn12 ZINC000009142226 554935278 /nfs/dbraw/zinc/93/52/78/554935278.db2.gz KZQJOOUFZWUXTO-UHFFFAOYSA-N 0 0 452.565 3.228 40 0 JGABRN C[C@@H](Oc1ccccc1F)C(=O)Nc1sc2c(c1C(=O)N[C@H]1CCS(=O)(=O)C1)CC[C@H](C)C2 ZINC000009158867 554948592 /nfs/dbraw/zinc/94/85/92/554948592.db2.gz DMUBNBDPHCNFHH-ZNMIVQPWSA-N 0 0 494.610 3.335 40 0 JGABRN COc1ccc(C(=O)N[C@@]2(C(F)(F)F)NC(=O)N([C@@H]3CCC[C@H](C)[C@H]3C)C2=O)c(OC)c1OC ZINC000009281123 555050252 /nfs/dbraw/zinc/05/02/52/555050252.db2.gz GGNQMPXERRPSBP-GLNMDAJUSA-N 0 0 487.475 3.282 40 0 JGABRN COC(=O)c1ccc(N2C(=O)[C@H]3ON(c4ccccc4)[C@@H](c4ccc(O)c(OC)c4)[C@@H]3C2=O)cc1 ZINC000009332352 555101720 /nfs/dbraw/zinc/10/17/20/555101720.db2.gz WASNZCDMELQKKI-VABKMULXSA-N 0 0 474.469 3.239 40 0 JGABRN CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3Cl)c(=O)n2[C@@H]1c1ccc(O)cc1 ZINC000009367740 555130121 /nfs/dbraw/zinc/13/01/21/555130121.db2.gz UOBCRJHSYCKQQA-VOMPUTFMSA-N 0 0 454.935 3.157 40 0 JGABRN CCCCn1c2nnc(SCC(=O)Nc3ccc4c(c3)OCO4)n2c2ccccc2c1=O ZINC000009469673 555252325 /nfs/dbraw/zinc/25/23/25/555252325.db2.gz JMEYMOYXZHUZFT-UHFFFAOYSA-N 0 0 451.508 3.304 40 0 JGABRN O=C(CNC(=O)c1cccs1)N(C[C@@H]1CCCO1)[C@@H](C(=O)NC1CCCCC1)c1cccnc1 ZINC000013150837 555356616 /nfs/dbraw/zinc/35/66/16/555356616.db2.gz WLRVCSPSAIBMLI-NZQKXSOJSA-N 0 0 484.622 3.071 40 0 JGABRN COCCN(C(=O)CCC(=O)Nc1cc(C)on1)[C@H](C(=O)NC1CCCC1)c1ccccc1C ZINC000013150875 555357228 /nfs/dbraw/zinc/35/72/28/555357228.db2.gz UNOHMWZYHKPPND-DEOSSOPVSA-N 0 0 470.570 3.285 40 0 JGABRN COCCNC(=O)[C@@H](c1ccc(O)cc1)N(C(=O)CCC(=O)Nc1nccs1)c1ccc(C)cc1 ZINC000013151105 555358448 /nfs/dbraw/zinc/35/84/48/555358448.db2.gz ZLUQKDJGWIWKDB-HSZRJFAPSA-N 0 0 496.589 3.413 40 0 JGABRN COc1ccc([C@H]2[C@@H](C(=O)OC(C)(C)C)C(=O)C[C@@](C)(O)[C@@H]2C(=O)OC(C)(C)C)cc1OC ZINC000013370757 555392051 /nfs/dbraw/zinc/39/20/51/555392051.db2.gz YNKGDJWIHICHTQ-AJGMTHFWSA-N 0 0 464.555 3.427 40 0 JGABRN COc1ccc([C@@H]2[C@@H](C(=O)OC(C)(C)C)C(=O)C[C@@](C)(O)[C@@H]2C(=O)OC(C)(C)C)cc1OC ZINC000013370754 555392068 /nfs/dbraw/zinc/39/20/68/555392068.db2.gz YNKGDJWIHICHTQ-GFTAFNIFSA-N 0 0 464.555 3.427 40 0 JGABRN CCCC(=O)N[C@H](NC(=S)Nc1c(C)n(C)n(-c2ccccc2)c1=O)C(Cl)(Cl)Cl ZINC000013477798 555403159 /nfs/dbraw/zinc/40/31/59/555403159.db2.gz HNABZMYZHVZKOJ-MRXNPFEDSA-N 0 0 478.833 3.383 40 0 JGABRN CC[C@@H](c1nnnn1C1CCCC1)N(Cc1cc2cc3c(cc2[nH]c1=O)OCO3)C[C@@H]1CCCO1 ZINC000013495548 555408171 /nfs/dbraw/zinc/40/81/71/555408171.db2.gz QERZYBGWZRVMCH-FPOVZHCZSA-N 0 0 480.569 3.491 40 0 JGABRN CCOc1ccc2[nH]c(=O)c(CN(CCCO)[C@@H](CC)c3nnnn3Cc3ccccc3)cc2c1 ZINC000013496025 555410432 /nfs/dbraw/zinc/41/04/32/555410432.db2.gz ZKYLTPJCSUBEHG-DEOSSOPVSA-N 0 0 476.581 3.297 40 0 JGABRN CC(=O)Nc1cc(NC(=O)CSc2nnc(-c3ccc(NS(C)(=O)=O)cc3)o2)ccc1C ZINC000013496188 555411241 /nfs/dbraw/zinc/41/12/41/555411241.db2.gz PYRSCTAKERYVJH-UHFFFAOYSA-N 0 0 475.552 3.106 40 0 JGABRN O=C(CN(C1CCCC1)S(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)Nc1ccccc1 ZINC000013497007 555412627 /nfs/dbraw/zinc/41/26/27/555412627.db2.gz GUJVYYYZANSQRX-UHFFFAOYSA-N 0 0 491.635 3.043 40 0 JGABRN COCCn1nnnc1[C@H](C(C)C)N(Cc1ccco1)Cc1cc2cc(OC)ccc2[nH]c1=O ZINC000013498691 555423356 /nfs/dbraw/zinc/42/33/56/555423356.db2.gz GFGBGDVDEZRTCK-QFIPXVFZSA-N 0 0 466.542 3.162 40 0 JGABRN CCOC(=O)Cn1nnnc1[C@@H](C(C)C)N(Cc1cc2c(C)ccc(C)c2[nH]c1=O)C[C@@H]1CCCO1 ZINC000013499188 555428802 /nfs/dbraw/zinc/42/88/02/555428802.db2.gz MGYGIMCXOZDXPN-GBXCKJPGSA-N 0 0 496.612 3.073 40 0 JGABRN CCC[C@H](c1nnnn1C[C@@H]1CCCO1)N(CCCO)Cc1cc2c(C)ccc(C)c2[nH]c1=O ZINC000013499677 555434317 /nfs/dbraw/zinc/43/43/17/555434317.db2.gz SGAIOHAAJQPJOY-RBBKRZOGSA-N 0 0 468.602 3.036 40 0 JGABRN Cc1cccc2cc(CN(CCCN3CCOCC3)[C@H](c3nnnn3C(C)(C)C)C(C)C)c(=O)[nH]c12 ZINC000013500296 555438612 /nfs/dbraw/zinc/43/86/12/555438612.db2.gz CRGFLNSIKNHSSP-DEOSSOPVSA-N 0 0 495.672 3.500 40 0 JGABRN CCOC(=O)Cn1nnnc1[C@@H](C(C)C)N(Cc1ccco1)Cc1cc2cccc(C)c2[nH]c1=O ZINC000013500430 555440166 /nfs/dbraw/zinc/44/01/66/555440166.db2.gz FAFUQPCZSUFSDX-HSZRJFAPSA-N 0 0 478.553 3.379 40 0 JGABRN CCC[C@@H](c1nnnn1Cc1ccco1)N(CCCO)Cc1cc2cc(C)ccc2[nH]c1=O ZINC000013501033 555446730 /nfs/dbraw/zinc/44/67/30/555446730.db2.gz SMMQROYUTJZMRH-QFIPXVFZSA-N 0 0 450.543 3.190 40 0 JGABRN COc1ccc(CNC(=O)CN(C(=O)CCC(=O)Nc2ccccn2)c2cccc(F)c2)cc1 ZINC000013501314 555449029 /nfs/dbraw/zinc/44/90/29/555449029.db2.gz WFJUAEOGBWOZLS-UHFFFAOYSA-N 0 0 464.497 3.298 40 0 JGABRN COCCNC(=O)[C@H](c1ccc(O)cc1)N(C(=O)CCC(=O)Nc1ccccn1)c1ccccc1C ZINC000013501528 555450245 /nfs/dbraw/zinc/45/02/45/555450245.db2.gz CIKBRNOTULAICK-SANMLTNESA-N 0 0 490.560 3.351 40 0 JGABRN O=C(CCC(=O)N(CC(=O)NCc1ccc(F)cc1)Cc1cccs1)Nc1nccs1 ZINC000013501675 555450948 /nfs/dbraw/zinc/45/09/48/555450948.db2.gz IJSAIMFUASQZET-UHFFFAOYSA-N 0 0 460.556 3.408 40 0 JGABRN O=C(Cn1nnc2ccccc21)N(C[C@@H]1CCCO1)[C@@H](C(=O)NCc1ccco1)c1cccs1 ZINC000013502438 555455225 /nfs/dbraw/zinc/45/52/25/555455225.db2.gz YSGSXXQJRGBIDM-FDDCHVKYSA-N 0 0 479.562 3.151 40 0 JGABRN Cc1ccc(N(C(=O)CNS(=O)(=O)c2ccccc2)[C@H](C(=O)NCc2ccco2)C(C)C)cc1 ZINC000013502799 555457242 /nfs/dbraw/zinc/45/72/42/555457242.db2.gz IKDRLNLVGFDEJQ-DEOSSOPVSA-N 0 0 483.590 3.241 40 0 JGABRN Cc1ccc(S(=O)(=O)NCC(=O)N(Cc2ccco2)[C@H](C(=O)NCc2ccccc2)C(C)C)cc1 ZINC000013502937 555458457 /nfs/dbraw/zinc/45/84/57/555458457.db2.gz WYMBKVUDEOJHGP-VWLOTQADSA-N 0 0 497.617 3.236 40 0 JGABRN O=C(c1ccco1)N1CCN([C@@H](c2nnnn2Cc2ccc(F)cc2)c2ccc(F)cc2)CC1 ZINC000013504762 555464540 /nfs/dbraw/zinc/46/45/40/555464540.db2.gz JRRLIIBQESJHGD-JOCHJYFZSA-N 0 0 464.476 3.140 40 0 JGABRN COc1ccc(CN(CC(=O)NC2CCCC2)C(=O)CCC(=O)Nc2nc(C)cs2)cc1 ZINC000013505656 555467574 /nfs/dbraw/zinc/46/75/74/555467574.db2.gz FTRDZDZCEPBMOV-UHFFFAOYSA-N 0 0 458.584 3.266 40 0 JGABRN COc1ccc(N(C(=O)CNC(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2ccco2)cc1 ZINC000013506682 555473079 /nfs/dbraw/zinc/47/30/79/555473079.db2.gz FSTJGZKNKUELEL-QHCPKHFHSA-N 0 0 465.506 3.444 40 0 JGABRN COc1cccc(CN(C(=O)CNC(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2ccco2)c1 ZINC000013506724 555473336 /nfs/dbraw/zinc/47/33/36/555473336.db2.gz PUUCQKJHLVBLET-DEOSSOPVSA-N 0 0 479.533 3.440 40 0 JGABRN O=C(CNC(=O)c1ccco1)N(Cc1ccco1)[C@@H](C(=O)NC1CCCC1)c1cccs1 ZINC000013506753 555473736 /nfs/dbraw/zinc/47/37/36/555473736.db2.gz CAYGMJIQROEQFS-OAQYLSRUSA-N 0 0 455.536 3.493 40 0 JGABRN Cc1ccccc1[C@@H](C(=O)NC1CCCC1)N(C[C@H]1CCCO1)C(=O)CNC(=O)c1ccco1 ZINC000013506866 555474175 /nfs/dbraw/zinc/47/41/75/555474175.db2.gz YZFHDDNCJZMRQR-YKSBVNFPSA-N 0 0 467.566 3.126 40 0 JGABRN O=C(CNC(=O)c1ccco1)N(c1cccc(F)c1)[C@H](C(=O)NC1CCCC1)c1cccnc1 ZINC000013507304 555475733 /nfs/dbraw/zinc/47/57/33/555475733.db2.gz GTTUKOUHUPMCCU-QHCPKHFHSA-N 0 0 464.497 3.377 40 0 JGABRN COc1ccc(N(C(=O)CNC(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2cccnc2)cc1 ZINC000013507310 555475783 /nfs/dbraw/zinc/47/57/83/555475783.db2.gz DKJODONSXGQDEK-XMMPIXPASA-N 0 0 476.533 3.246 40 0 JGABRN COc1cccc(N(C(=O)CNC(=O)c2ccco2)[C@@H](C(=O)NC2CCCC2)c2cccnc2)c1 ZINC000013507306 555475789 /nfs/dbraw/zinc/47/57/89/555475789.db2.gz QBBYRNBFYKGHSQ-XMMPIXPASA-N 0 0 476.533 3.246 40 0 JGABRN O=C(CNC(=O)c1ccco1)N(c1ccc(F)cc1)[C@H](C(=O)NC1CCCC1)c1cccnc1 ZINC000013507344 555475790 /nfs/dbraw/zinc/47/57/90/555475790.db2.gz CFPDBOBJCUQGML-QHCPKHFHSA-N 0 0 464.497 3.377 40 0 JGABRN CC(=O)c1ccc(N(C(=O)CNC(=O)c2ccco2)[C@H](C(=O)NC2CCCC2)c2ccncc2)cc1 ZINC000013507283 555475797 /nfs/dbraw/zinc/47/57/97/555475797.db2.gz VPZLCOQZBYSLEN-VWLOTQADSA-N 0 0 488.544 3.440 40 0 JGABRN CC(C)CCN(C(=O)CNC(=O)c1ccco1)[C@H](C(=O)NC1CCCCC1)c1cccnc1 ZINC000013508154 555477981 /nfs/dbraw/zinc/47/79/81/555477981.db2.gz DMINBRXWNBGVPI-QHCPKHFHSA-N 0 0 454.571 3.469 40 0 JGABRN COCCNC(=O)[C@H](c1ccc(C)o1)N(C(=O)Cn1nnc2ccccc21)c1cccc(C)c1 ZINC000013508400 555478686 /nfs/dbraw/zinc/47/86/86/555478686.db2.gz ZSDAZIISGGTKJK-DEOSSOPVSA-N 0 0 461.522 3.178 40 0 JGABRN COCCNC(=O)[C@H](c1ccc(C)cc1)N(Cc1ccc(F)cc1)C(=O)Cn1nnc2ccccc21 ZINC000013508948 555479980 /nfs/dbraw/zinc/47/99/80/555479980.db2.gz IIGUEFRXSSFDOG-SANMLTNESA-N 0 0 489.551 3.412 40 0 JGABRN COCCNC(=O)[C@H](c1ccc(C)cc1)N(C(=O)Cn1nnc2ccccc21)c1ccc(F)cc1 ZINC000013508944 555479999 /nfs/dbraw/zinc/47/99/99/555479999.db2.gz IJWRLNIAURSXGZ-VWLOTQADSA-N 0 0 475.524 3.416 40 0 JGABRN COCCNC(=O)[C@@H](c1ccccc1F)N(C(=O)Cn1nnc2ccccc21)c1ccc(F)cc1 ZINC000013509071 555480278 /nfs/dbraw/zinc/48/02/78/555480278.db2.gz VQBSFQCMGMPNPM-XMMPIXPASA-N 0 0 479.487 3.247 40 0 JGABRN COCCNC(=O)[C@H](c1cccc(OC)c1)N(C(=O)Cn1nnc2ccccc21)c1cccc(C)c1 ZINC000013509017 555480287 /nfs/dbraw/zinc/48/02/87/555480287.db2.gz RWPIUDLSAYQZFE-SANMLTNESA-N 0 0 487.560 3.285 40 0 JGABRN COCCNC(=O)[C@@H](c1cccc(OC)c1)N(C(=O)Cn1nnc2ccccc21)c1ccc(C)cc1 ZINC000013509024 555480300 /nfs/dbraw/zinc/48/03/00/555480300.db2.gz JBQNJYOVOLGVNX-AREMUKBSSA-N 0 0 487.560 3.285 40 0 JGABRN 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Cc1ccccc1CN(C(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O)[C@H](C)C(=O)NC1CCCC1 ZINC000223782964 569923169 /nfs/dbraw/zinc/92/31/69/569923169.db2.gz DASYGDXUIJZQMH-PTUXOGIPSA-N 0 0 465.594 3.112 40 0 JGABRN CCNC(=O)[C@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(Cl)cc1C)S(C)(=O)=O ZINC000223788281 569923338 /nfs/dbraw/zinc/92/33/38/569923338.db2.gz RZPOSYKXQJMBQK-INIZCTEOSA-N 0 0 483.993 3.107 40 0 JGABRN CCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CN(c1cccc(Cl)c1C)S(C)(=O)=O ZINC000223788509 569923386 /nfs/dbraw/zinc/92/33/86/569923386.db2.gz HAWDOYNHZWUFAY-MRXNPFEDSA-N 0 0 483.993 3.107 40 0 JGABRN CCCNC(=O)[C@H](C)N(Cc1cccc(Cl)c1)C(=O)CN(c1ccccc1F)S(C)(=O)=O ZINC000223795643 569923575 /nfs/dbraw/zinc/92/35/75/569923575.db2.gz GJBYKRXTGYQVLK-INIZCTEOSA-N 0 0 483.993 3.189 40 0 JGABRN CCCCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccccc1F)S(C)(=O)=O ZINC000223812380 569924100 /nfs/dbraw/zinc/92/41/00/569924100.db2.gz MLHRUXOVAURBSG-OAQYLSRUSA-N 0 0 495.592 3.455 40 0 JGABRN CCNC(=O)[C@@H](C)N(Cc1ccc(F)cc1)C(=O)CCCN(c1ccccc1F)S(C)(=O)=O ZINC000223829010 569924508 /nfs/dbraw/zinc/92/45/08/569924508.db2.gz HTUOYNOXLXWQFJ-QGZVFWFLSA-N 0 0 481.565 3.064 40 0 JGABRN C[C@@H](NC(=O)c1ccccc1N(C)S(=O)(=O)c1ccccc1)c1ccc(S(C)(=O)=O)cc1 ZINC000223845037 569924928 /nfs/dbraw/zinc/92/49/28/569924928.db2.gz ALRCCPQYLWULLJ-QGZVFWFLSA-N 0 0 472.588 3.406 40 0 JGABRN Cc1ccc(C(=O)N[C@H](C)c2ccc(S(C)(=O)=O)cc2)cc1S(=O)(=O)N1CCCCCC1 ZINC000223850055 569925044 /nfs/dbraw/zinc/92/50/44/569925044.db2.gz YXACRYDSXYXAHY-GOSISDBHSA-N 0 0 478.636 3.454 40 0 JGABRN O=C(CN(c1ccc(F)cc1)S(=O)(=O)c1ccc2c(c1)OCCO2)NCC1=CCCCC1 ZINC000223857857 569925311 /nfs/dbraw/zinc/92/53/11/569925311.db2.gz OBKGOVRNEVOTJC-UHFFFAOYSA-N 0 0 460.527 3.409 40 0 JGABRN C[C@H](C(=O)NC1CCCC1)N(Cc1ccc(Cl)cc1)C(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000223857083 569925319 /nfs/dbraw/zinc/92/53/19/569925319.db2.gz TVUNLYSRXWNLMO-YHYVQYDKSA-N 0 0 486.012 3.457 40 0 JGABRN C[C@H](NC(=O)C1CCN(S(=O)(=O)Cc2cccc(Cl)c2)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000223866498 569925637 /nfs/dbraw/zinc/92/56/37/569925637.db2.gz QEHGMKKDKHPVHF-INIZCTEOSA-N 0 0 499.054 3.163 40 0 JGABRN Cc1ccc(N(CC(=O)N(Cc2ccc(F)cc2)[C@@H](C)C(=O)NC2CCCC2)S(C)(=O)=O)cc1 ZINC000223877147 569925936 /nfs/dbraw/zinc/92/59/36/569925936.db2.gz DRDRUNMIMAOVKT-IBGZPJMESA-N 0 0 489.613 3.376 40 0 JGABRN CCCNC(=O)[C@H](C)N(Cc1ccccc1F)C(=O)CCCN(c1ccccc1)S(C)(=O)=O ZINC000223879136 569925970 /nfs/dbraw/zinc/92/59/70/569925970.db2.gz LOAPBFUKYAWNNJ-IBGZPJMESA-N 0 0 477.602 3.315 40 0 JGABRN C[C@@H](NC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccc(Cl)cc2)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000223886860 569926328 /nfs/dbraw/zinc/92/63/28/569926328.db2.gz WFUANTNKPVYOIW-VQIMIIECSA-N 0 0 499.054 3.163 40 0 JGABRN CC(C)n1c2ccc(S(=O)(=O)N[C@@H](C)c3ccc(S(C)(=O)=O)cc3)cc2sc1=O ZINC000223895901 569926568 /nfs/dbraw/zinc/92/65/68/569926568.db2.gz ISBNRRJYGYOSGL-ZDUSSCGKSA-N 0 0 454.595 3.087 40 0 JGABRN COc1ccccc1OCCNC(=O)CN(c1ccccc1)S(=O)(=O)c1ccc(F)cc1 ZINC000223899922 569926608 /nfs/dbraw/zinc/92/66/08/569926608.db2.gz LSUIYGJHXGNXLV-UHFFFAOYSA-N 0 0 458.511 3.225 40 0 JGABRN COc1ccc(S(=O)(=O)N(CC(=O)NCCOc2ccccc2OC)c2ccc(F)cc2)cc1 ZINC000223903985 569926801 /nfs/dbraw/zinc/92/68/01/569926801.db2.gz RDLYBVJWWFVIIK-UHFFFAOYSA-N 0 0 488.537 3.233 40 0 JGABRN CCNC(=O)[C@@H](C)N(Cc1ccc(Cl)c(Cl)c1)C(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000223910740 569926987 /nfs/dbraw/zinc/92/69/87/569926987.db2.gz QBEKOTHFRIVKJJ-OIISXLGYSA-N 0 0 480.392 3.188 40 0 JGABRN Cc1cccc(OCCNC(=O)CN(c2ccccc2Br)S(C)(=O)=O)c1C ZINC000223912160 569927027 /nfs/dbraw/zinc/92/70/27/569927027.db2.gz JHCUJJKPNVARHT-UHFFFAOYSA-N 0 0 455.374 3.027 40 0 JGABRN CCCCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CN(c1ccccc1)S(C)(=O)=O ZINC000223958524 569928453 /nfs/dbraw/zinc/92/84/53/569928453.db2.gz VZOXAXQKBQDEAU-HSZRJFAPSA-N 0 0 489.638 3.185 40 0 JGABRN O=C(C1CC1)N1CCc2cc(S(=O)(=O)NCc3nc(-c4cccc(Cl)c4)no3)ccc21 ZINC000223966950 569928812 /nfs/dbraw/zinc/92/88/12/569928812.db2.gz MCUWHNPPRLZSIO-UHFFFAOYSA-N 0 0 458.927 3.168 40 0 JGABRN CCCCNC(=O)[C@H](CC)N(Cc1cccc(OC)c1)C(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000223978916 569929222 /nfs/dbraw/zinc/92/92/22/569929222.db2.gz MCXAKSOGEFGNLY-ZRBLBEILSA-N 0 0 483.609 3.060 40 0 JGABRN CCCCNC(=O)[C@@H](CC)N(Cc1cccc(OC)c1)C(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000223978972 569929252 /nfs/dbraw/zinc/92/92/52/569929252.db2.gz MCXAKSOGEFGNLY-XPWALMASSA-N 0 0 483.609 3.060 40 0 JGABRN CCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CN(c1ccc(C(C)C)cc1)S(C)(=O)=O ZINC000223979775 569929292 /nfs/dbraw/zinc/92/92/92/569929292.db2.gz XJLZEQRRZNROMX-IBGZPJMESA-N 0 0 489.638 3.138 40 0 JGABRN COc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)NCCCN(C)c1ccccc1 ZINC000223985705 569929513 /nfs/dbraw/zinc/92/95/13/569929513.db2.gz WBZRPKFYNOCVHP-UHFFFAOYSA-N 0 0 459.612 3.055 40 0 JGABRN Cc1cccc(OCCNC(=O)CN(c2ccc3c(c2)OCCO3)S(=O)(=O)c2ccccc2)c1 ZINC000223987175 569929543 /nfs/dbraw/zinc/92/95/43/569929543.db2.gz NZLWSMKWLHATKT-UHFFFAOYSA-N 0 0 482.558 3.157 40 0 JGABRN Cc1cccc(OCCNC(=O)[C@@H]2CN(S(=O)(=O)c3ccccc3)c3ccccc3O2)c1 ZINC000223995013 569929760 /nfs/dbraw/zinc/92/97/60/569929760.db2.gz GLQXFSGEKGORQS-QHCPKHFHSA-N 0 0 452.532 3.147 40 0 JGABRN Cc1cccc(OCCNC(=O)[C@H]2CN(S(=O)(=O)c3ccccc3)c3ccccc3O2)c1 ZINC000223995072 569929777 /nfs/dbraw/zinc/92/97/77/569929777.db2.gz GLQXFSGEKGORQS-HSZRJFAPSA-N 0 0 452.532 3.147 40 0 JGABRN O=C(NCCOc1ccccc1Cl)[C@@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1 ZINC000223994727 569929781 /nfs/dbraw/zinc/92/97/81/569929781.db2.gz KTGLNDMKXNQYMV-QFIPXVFZSA-N 0 0 472.950 3.492 40 0 JGABRN Cc1ccccc1OCCNC(=O)[C@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1 ZINC000223995331 569929787 /nfs/dbraw/zinc/92/97/87/569929787.db2.gz XDDBRCAZMIFUEU-HSZRJFAPSA-N 0 0 452.532 3.147 40 0 JGABRN COc1cccc(OCCNC(=O)[C@@H]2CN(S(=O)(=O)c3ccc(C)cc3)c3ccccc3O2)c1 ZINC000223998806 569929885 /nfs/dbraw/zinc/92/98/85/569929885.db2.gz NCBZCRJVLKLKRU-DEOSSOPVSA-N 0 0 482.558 3.155 40 0 JGABRN Cc1ccc(S(=O)(=O)N2C[C@@H](C(=O)NCCc3ccc(F)cc3)Oc3ccccc32)cc1 ZINC000223998277 569929910 /nfs/dbraw/zinc/92/99/10/569929910.db2.gz RIGOTZMVTIVUIZ-QHCPKHFHSA-N 0 0 454.523 3.449 40 0 JGABRN CCNC(=O)[C@@H](C)N(Cc1cccc(OC)c1)C(=O)CN(C)S(=O)(=O)c1ccc2ccccc2c1 ZINC000224001969 569930015 /nfs/dbraw/zinc/93/00/15/569930015.db2.gz HYVCPDQWVRSSHP-LJQANCHMSA-N 0 0 497.617 3.022 40 0 JGABRN CCNC(=O)[C@H](C)N(Cc1cccc(OC)c1)C(=O)CCCN(c1ccc(C)cc1)S(C)(=O)=O ZINC000224001356 569930046 /nfs/dbraw/zinc/93/00/46/569930046.db2.gz NBNBEEQFNKAORV-FQEVSTJZSA-N 0 0 489.638 3.103 40 0 JGABRN COc1ccc(N([C@@H](C)C(=O)NCCOc2cc(C)ccc2C)S(C)(=O)=O)cc1Cl ZINC000224006286 569930207 /nfs/dbraw/zinc/93/02/07/569930207.db2.gz ALORRDNBGXGJCQ-INIZCTEOSA-N 0 0 454.976 3.315 40 0 JGABRN CCc1ccc(OCCNC(=O)[C@H](C)N(c2cc(Cl)ccc2OC)S(C)(=O)=O)cc1 ZINC000224012652 569930462 /nfs/dbraw/zinc/93/04/62/569930462.db2.gz RUVVSGDOQAZZIQ-HNNXBMFYSA-N 0 0 454.976 3.261 40 0 JGABRN COc1ccc(S(=O)(=O)N2C[C@@H](C(=O)NCCOc3cc(C)ccc3C)Oc3ccccc32)cc1 ZINC000224027137 569931038 /nfs/dbraw/zinc/93/10/38/569931038.db2.gz SHDMHBDRXWPKIP-VWLOTQADSA-N 0 0 496.585 3.464 40 0 JGABRN Cc1ccc(-c2nnc(NC(=O)c3cc(S(=O)(=O)N4CCN(C)CC4)ccc3Cl)s2)cc1 ZINC000224026026 569931042 /nfs/dbraw/zinc/93/10/42/569931042.db2.gz KCENOYKWDIRPOW-UHFFFAOYSA-N 0 0 492.026 3.355 40 0 JGABRN COc1cccc(OCCNC(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)c1 ZINC000224027905 569931091 /nfs/dbraw/zinc/93/10/91/569931091.db2.gz GYQLGPNYTMABHG-UHFFFAOYSA-N 0 0 452.960 3.332 40 0 JGABRN COc1ccc(S(=O)(=O)NCCOc2ccccc2Cl)cc1C(=O)N1CCCCC1 ZINC000224032059 569931191 /nfs/dbraw/zinc/93/11/91/569931191.db2.gz VOHUQIIERARXCS-UHFFFAOYSA-N 0 0 452.960 3.332 40 0 JGABRN CCNC(=O)[C@H](C)N(Cc1ccc(OC)cc1)C(=O)CCCN(c1ccccc1C)S(C)(=O)=O ZINC000224044228 569931644 /nfs/dbraw/zinc/93/16/44/569931644.db2.gz DELFYUGGRKSKCJ-FQEVSTJZSA-N 0 0 489.638 3.103 40 0 JGABRN C[C@H](C(=O)NC(C)(C)C)N(Cc1ccccc1F)C(=O)CN(c1ccccc1F)S(C)(=O)=O ZINC000224065352 569932150 /nfs/dbraw/zinc/93/21/50/569932150.db2.gz UTAFPKDGDRMKIW-MRXNPFEDSA-N 0 0 481.565 3.063 40 0 JGABRN CCCCNC(=O)[C@@H](CC)N(CCc1ccccc1)C(=O)CN(C)S(=O)(=O)c1ccc(C)cc1 ZINC000224065200 569932156 /nfs/dbraw/zinc/93/21/56/569932156.db2.gz UMGNKHQQGBXWQZ-XMMPIXPASA-N 0 0 487.666 3.382 40 0 JGABRN Cc1cc(C)cc(OCCNC(=O)CN(c2ccccc2Br)S(C)(=O)=O)c1 ZINC000224065147 569932167 /nfs/dbraw/zinc/93/21/67/569932167.db2.gz DPKCJSNEQWYXSI-UHFFFAOYSA-N 0 0 455.374 3.027 40 0 JGABRN CCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CN(c1cccc(Cl)c1C)S(C)(=O)=O ZINC000224067159 569932258 /nfs/dbraw/zinc/93/22/58/569932258.db2.gz NHALPJLOHPZPCK-GOSISDBHSA-N 0 0 480.030 3.010 40 0 JGABRN CCc1ccc(N(CC(=O)N(Cc2ccccc2F)[C@@H](C)C(=O)NC(C)(C)C)S(C)(=O)=O)cc1 ZINC000224068847 569932323 /nfs/dbraw/zinc/93/23/23/569932323.db2.gz PGRSOVIEVQZBBR-SFHVURJKSA-N 0 0 491.629 3.486 40 0 JGABRN CCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CCCN(c1cccc(C)c1)S(C)(=O)=O ZINC000224086139 569932790 /nfs/dbraw/zinc/93/27/90/569932790.db2.gz MTGGTDSCLZOAPY-NRFANRHFSA-N 0 0 473.639 3.137 40 0 JGABRN CCNC(=O)[C@@H](C)N(CCc1ccccc1)C(=O)CCCN(c1cccc(Cl)c1)S(C)(=O)=O ZINC000224086347 569932791 /nfs/dbraw/zinc/93/27/91/569932791.db2.gz JQFGEHWZJLPLET-LJQANCHMSA-N 0 0 494.057 3.482 40 0 JGABRN CCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)COc1ccc(I)cc1 ZINC000224087309 569932846 /nfs/dbraw/zinc/93/28/46/569932846.db2.gz GWAGNSTYUBTMAU-INIZCTEOSA-N 0 0 480.346 3.266 40 0 JGABRN CCNC(=O)[C@H](C)N(CCc1ccccc1)C(=O)CCCN(c1ccc(F)c(F)c1)S(C)(=O)=O ZINC000224089211 569932998 /nfs/dbraw/zinc/93/29/98/569932998.db2.gz VMXKPPRPBBBWRP-SFHVURJKSA-N 0 0 495.592 3.107 40 0 JGABRN CC[C@@H](C(=O)Nc1nnc(SCC(C)C)s1)N(c1ccc(OC)cc1)S(C)(=O)=O ZINC000224098711 569933140 /nfs/dbraw/zinc/93/31/40/569933140.db2.gz YRRBAYKCOPQTBW-HNNXBMFYSA-N 0 0 458.631 3.478 40 0 JGABRN COC(=O)c1ccc(NC(=O)CCc2cc(S(=O)(=O)N3CCCCC3)ccc2OC)cc1 ZINC000224105248 569933296 /nfs/dbraw/zinc/93/32/96/569933296.db2.gz IFQKHAAXISXEIU-UHFFFAOYSA-N 0 0 460.552 3.228 40 0 JGABRN CCNC(=O)[C@@H](CC)N(Cc1ccccc1)C(=O)CN(c1ccccc1Cl)S(C)(=O)=O ZINC000224107464 569933420 /nfs/dbraw/zinc/93/34/20/569933420.db2.gz KYLQQKFMTXZPJB-LJQANCHMSA-N 0 0 466.003 3.050 40 0 JGABRN CCNC(=O)[C@H](CC)N(Cc1ccccc1)C(=O)CN(c1cccc(C(F)(F)F)c1)S(C)(=O)=O ZINC000224109177 569933454 /nfs/dbraw/zinc/93/34/54/569933454.db2.gz RUEPUZQAJSADQG-FQEVSTJZSA-N 0 0 499.555 3.415 40 0 JGABRN CC[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1)C(=O)CN(c1ccccc1F)S(C)(=O)=O ZINC000224128863 569934023 /nfs/dbraw/zinc/93/40/23/569934023.db2.gz ITUFPGAWQLYMBT-JOCHJYFZSA-N 0 0 489.613 3.458 40 0 JGABRN Cc1ccc(OCCNC(=O)CN(c2ccccc2Br)S(C)(=O)=O)cc1Cl ZINC000224131638 569934068 /nfs/dbraw/zinc/93/40/68/569934068.db2.gz WKCBNESPFOIXMA-UHFFFAOYSA-N 0 0 475.792 3.372 40 0 JGABRN COc1ccc(N(CC(=O)NCCOc2ccc(C)c(Cl)c2)S(C)(=O)=O)cc1Cl ZINC000224131338 569934092 /nfs/dbraw/zinc/93/40/92/569934092.db2.gz OTVNDDHXQLCCBU-UHFFFAOYSA-N 0 0 461.367 3.272 40 0 JGABRN CCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CN(c1ccc(C)cc1)S(C)(=O)=O ZINC000224150974 569934566 /nfs/dbraw/zinc/93/45/66/569934566.db2.gz AJFUZHVFGPOYCI-JOCHJYFZSA-N 0 0 459.612 3.013 40 0 JGABRN CS(=O)(=O)N(CC(=O)Nc1nnc(SCc2ccccc2)s1)c1ccccc1F ZINC000224151118 569934569 /nfs/dbraw/zinc/93/45/69/569934569.db2.gz WJHNSCFCBDFCCJ-UHFFFAOYSA-N 0 0 452.558 3.374 40 0 JGABRN CCNC(=O)[C@H](CC)N(Cc1ccccc1C)C(=O)CN(c1cc(C)ccc1OC)S(C)(=O)=O ZINC000224154164 569934678 /nfs/dbraw/zinc/93/46/78/569934678.db2.gz RDSCZHDJHLGFRG-NRFANRHFSA-N 0 0 489.638 3.022 40 0 JGABRN CCS(=O)(=O)N(CC(=O)NCCOc1ccc(C(C)(C)C)cc1)c1ccc2c(c1)OCO2 ZINC000224161162 569934962 /nfs/dbraw/zinc/93/49/62/569934962.db2.gz NIWKFKVELMQFPP-UHFFFAOYSA-N 0 0 462.568 3.064 40 0 JGABRN CCNC(=O)[C@@H](CC)N(Cc1ccccc1C)C(=O)CN(c1ccc(F)c(Cl)c1)S(C)(=O)=O ZINC000224161527 569934973 /nfs/dbraw/zinc/93/49/73/569934973.db2.gz SGJADMAZWFRJMF-OAQYLSRUSA-N 0 0 498.020 3.497 40 0 JGABRN COc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)NCCCc1ccc(OC)c(OC)c1 ZINC000224168103 569935135 /nfs/dbraw/zinc/93/51/35/569935135.db2.gz VJKODJWBLGENFM-UHFFFAOYSA-N 0 0 490.622 3.179 40 0 JGABRN CC[C@H](C(=O)NC1CCCC1)N(Cc1ccccc1C)C(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000224178391 569935422 /nfs/dbraw/zinc/93/54/22/569935422.db2.gz UWQUAQDRSNUBAH-JOCHJYFZSA-N 0 0 497.617 3.006 40 0 JGABRN CC[C@@H](C(=O)NCCOc1ccc(C)c(Cl)c1)N(c1ccc(OC)cc1)S(C)(=O)=O ZINC000224176524 569935435 /nfs/dbraw/zinc/93/54/35/569935435.db2.gz CMIVAKQFZLQDHZ-FQEVSTJZSA-N 0 0 454.976 3.397 40 0 JGABRN CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccccc1C)C(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000224178334 569935444 /nfs/dbraw/zinc/93/54/44/569935444.db2.gz UWQUAQDRSNUBAH-QFIPXVFZSA-N 0 0 497.617 3.006 40 0 JGABRN Cc1ccc(CN(C(=O)CN(c2cccc(C)c2)S(C)(=O)=O)[C@@H](C)C(=O)NCC(C)C)cc1 ZINC000224184994 569935666 /nfs/dbraw/zinc/93/56/66/569935666.db2.gz JNKKPXGOOSWIJX-NRFANRHFSA-N 0 0 473.639 3.259 40 0 JGABRN Cc1ccc(CN(C(=O)CN(c2ccc(C)cc2)S(C)(=O)=O)[C@@H](C)C(=O)NCC(C)C)cc1 ZINC000224185081 569935668 /nfs/dbraw/zinc/93/56/68/569935668.db2.gz JTAYHRKGSMWRGC-NRFANRHFSA-N 0 0 473.639 3.259 40 0 JGABRN CCOc1ccc([C@H](C)NC(=O)COc2ccc(N(C)S(C)(=O)=O)cc2)cc1OCC ZINC000224191665 569935838 /nfs/dbraw/zinc/93/58/38/569935838.db2.gz QLCGMQSUXMTXLK-INIZCTEOSA-N 0 0 450.557 3.136 40 0 JGABRN CCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1cc(C)cc(C)c1)S(C)(=O)=O ZINC000224195119 569936027 /nfs/dbraw/zinc/93/60/27/569936027.db2.gz AXCBLTZPZJZSLP-HSZRJFAPSA-N 0 0 473.639 3.321 40 0 JGABRN Cc1ccc(-c2nnc(NC(=O)c3cc(S(=O)(=O)N4CCN(C)CC4)ccc3C)s2)cc1 ZINC000224196852 569936052 /nfs/dbraw/zinc/93/60/52/569936052.db2.gz UVCJDJBRFFBAKG-UHFFFAOYSA-N 0 0 471.608 3.010 40 0 JGABRN CCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1c(C)cccc1C)S(C)(=O)=O ZINC000224199019 569936178 /nfs/dbraw/zinc/93/61/78/569936178.db2.gz VDQGZELXTLNZGE-QFIPXVFZSA-N 0 0 473.639 3.321 40 0 JGABRN CCNC(=O)[C@H](CC)N(Cc1cccc(C)c1)C(=O)CN(c1ccc(CC)cc1)S(C)(=O)=O ZINC000224202832 569936359 /nfs/dbraw/zinc/93/63/59/569936359.db2.gz FEQQTXHBDURFEJ-QHCPKHFHSA-N 0 0 473.639 3.267 40 0 JGABRN COc1ccc(-c2nnc(NC(=O)[C@@H](C)N(c3ccc(OC)cc3)S(C)(=O)=O)s2)cc1 ZINC000224209994 569936617 /nfs/dbraw/zinc/93/66/17/569936617.db2.gz JLKWDNSOTNEWBK-CYBMUJFWSA-N 0 0 462.553 3.016 40 0 JGABRN CCNC(=O)[C@@H](CC)N(Cc1cccc(C)c1)C(=O)CCCN(c1ccccc1)S(C)(=O)=O ZINC000224215605 569936830 /nfs/dbraw/zinc/93/68/30/569936830.db2.gz NAEQNAYVVQMEIX-HSZRJFAPSA-N 0 0 473.639 3.485 40 0 JGABRN CC(C)CNC(=O)[C@@H](C)N(Cc1ccccc1Cl)C(=O)CN(c1ccccc1F)S(C)(=O)=O ZINC000224220418 569936993 /nfs/dbraw/zinc/93/69/93/569936993.db2.gz LFROZJVEHGFGJQ-QGZVFWFLSA-N 0 0 498.020 3.435 40 0 JGABRN CCNC(=O)[C@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccccc1C)S(C)(=O)=O ZINC000224238079 569937620 /nfs/dbraw/zinc/93/76/20/569937620.db2.gz DWUNHLKKVSQSGO-NRFANRHFSA-N 0 0 459.612 3.013 40 0 JGABRN CCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1ccccc1OCC)S(C)(=O)=O ZINC000224240677 569937732 /nfs/dbraw/zinc/93/77/32/569937732.db2.gz PAADENRYVUNOIO-OAQYLSRUSA-N 0 0 489.638 3.103 40 0 JGABRN CCNC(=O)[C@@H](CC)N(Cc1ccc(C)cc1)C(=O)CN(c1cc(C)ccc1OC)S(C)(=O)=O ZINC000224241990 569937749 /nfs/dbraw/zinc/93/77/49/569937749.db2.gz NLHOHZSWGVLIFF-OAQYLSRUSA-N 0 0 489.638 3.022 40 0 JGABRN CC[C@H](C(=O)NC1CCCC1)N(Cc1ccc(C)cc1)C(=O)CN1C(=O)c2ccccc2S1(=O)=O ZINC000224264166 569938524 /nfs/dbraw/zinc/93/85/24/569938524.db2.gz YHRDVSOSYFDRRA-JOCHJYFZSA-N 0 0 497.617 3.006 40 0 JGABRN O=S(=O)(NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1)c1cc(Cl)ccc1Cl ZINC000224301621 569939795 /nfs/dbraw/zinc/93/97/95/569939795.db2.gz KTKHJAKWMGUSED-UHFFFAOYSA-N 0 0 479.407 3.135 40 0 JGABRN CCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)CN(c1ccccc1C)S(C)(=O)=O ZINC000224281062 569939147 /nfs/dbraw/zinc/93/91/47/569939147.db2.gz KMYUTKMWORYIKK-HXUWFJFHSA-N 0 0 480.030 3.358 40 0 JGABRN CCNC(=O)[C@@H](CC)N(Cc1ccccc1Cl)C(=O)CN(c1ccccc1F)S(C)(=O)=O ZINC000224284010 569939260 /nfs/dbraw/zinc/93/92/60/569939260.db2.gz ZNDMMFQCRGBCJM-LJQANCHMSA-N 0 0 483.993 3.189 40 0 JGABRN CCNC(=O)[C@H](CC)N(Cc1ccccc1Cl)C(=O)CN(c1cccc(F)c1)S(C)(=O)=O ZINC000224290497 569939501 /nfs/dbraw/zinc/93/95/01/569939501.db2.gz WNZHHBVUKMLRNG-FQEVSTJZSA-N 0 0 483.993 3.189 40 0 JGABRN COc1ccc(S(=O)(=O)N2CCCC2)cc1CCC(=O)N(C)Cc1nc(-c2ccccc2C)no1 ZINC000224291481 569939504 /nfs/dbraw/zinc/93/95/04/569939504.db2.gz LRJVEHGDMACEPI-UHFFFAOYSA-N 0 0 498.605 3.429 40 0 JGABRN COc1ccc(N(CC(=O)Nc2nnc(SCC(C)C)s2)S(C)(=O)=O)cc1Cl ZINC000224292246 569939581 /nfs/dbraw/zinc/93/95/81/569939581.db2.gz IDEPJKAJSZZRSG-UHFFFAOYSA-N 0 0 465.022 3.353 40 0 JGABRN O=C(CCCOc1ccc(Cl)cc1)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000224309299 569940010 /nfs/dbraw/zinc/94/00/10/569940010.db2.gz ORAQHZRDIQXHQZ-UHFFFAOYSA-N 0 0 466.987 3.479 40 0 JGABRN O=S(=O)(Cc1ccc(Cl)c(Cl)c1)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000224310843 569940016 /nfs/dbraw/zinc/94/00/16/569940016.db2.gz HALMGTDAMJHDHU-UHFFFAOYSA-N 0 0 493.434 3.276 40 0 JGABRN COc1ccc2c(c1)[C@H](NC(=O)[C@@H](C)Oc1ccc(N(C)S(C)(=O)=O)cc1)CC(C)(C)O2 ZINC000224313092 569940083 /nfs/dbraw/zinc/94/00/83/569940083.db2.gz VTFMBUPXLMMIJA-FOIQADDNSA-N 0 0 462.568 3.277 40 0 JGABRN CCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(C)cc1)S(C)(=O)=O ZINC000224323718 569940550 /nfs/dbraw/zinc/94/05/50/569940550.db2.gz BPZMXBRDROLLKW-OAQYLSRUSA-N 0 0 480.030 3.358 40 0 JGABRN CCNC(=O)[C@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(OC)cc1)S(C)(=O)=O ZINC000224325549 569940652 /nfs/dbraw/zinc/94/06/52/569940652.db2.gz MGFRFTYQKIAVCW-NRFANRHFSA-N 0 0 496.029 3.058 40 0 JGABRN CCNC(=O)[C@@H](CC)N(Cc1ccc(Cl)cc1)C(=O)CN(c1ccc(F)cc1)S(C)(=O)=O ZINC000224326683 569940757 /nfs/dbraw/zinc/94/07/57/569940757.db2.gz CFANSRYAPNXBHQ-HXUWFJFHSA-N 0 0 483.993 3.189 40 0 JGABRN COc1ccc(OC[C@@H](C)NC(=O)CCc2cc(S(=O)(=O)N3CCCC3)ccc2OC)cc1 ZINC000224339205 569941101 /nfs/dbraw/zinc/94/11/01/569941101.db2.gz OVKFITWSAWAVLA-GOSISDBHSA-N 0 0 476.595 3.005 40 0 JGABRN CC(C)(C)c1ccccc1OCC(=O)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000224340616 569941192 /nfs/dbraw/zinc/94/11/92/569941192.db2.gz VSKUQFCJHOUVEV-UHFFFAOYSA-N 0 0 460.596 3.343 40 0 JGABRN CC[C@H](Oc1cc(C)cc(C)c1)C(=O)NCCOc1ccc(S(=O)(=O)N2CCCC2)cc1 ZINC000224341706 569941211 /nfs/dbraw/zinc/94/12/11/569941211.db2.gz XUUJCGLWDRMLPT-QHCPKHFHSA-N 0 0 460.596 3.441 40 0 JGABRN COc1ccc(OC)c([C@@H](C)NC(=O)[C@@H](C)N(c2ccc(OC)c(Cl)c2)S(C)(=O)=O)c1 ZINC000224358398 569941830 /nfs/dbraw/zinc/94/18/30/569941830.db2.gz ZRKZLTVAFWFKLW-ZIAGYGMSSA-N 0 0 470.975 3.398 40 0 JGABRN O=C(NCCOc1ccc(S(=O)(=O)N2CCCCC2)cc1)c1ccccc1Br ZINC000224359249 569941880 /nfs/dbraw/zinc/94/18/80/569941880.db2.gz SFUKOZOASRUGCE-UHFFFAOYSA-N 0 0 467.385 3.433 40 0 JGABRN Cc1cccc(OCCNC(=O)C2CCN(S(=O)(=O)Cc3ccccc3Cl)CC2)c1 ZINC000224360158 569941951 /nfs/dbraw/zinc/94/19/51/569941951.db2.gz ZEOMEMIADQNIMX-UHFFFAOYSA-N 0 0 450.988 3.385 40 0 JGABRN COc1ccccc1OCCNC(=O)C1CCN(S(=O)(=O)Cc2ccccc2Cl)CC1 ZINC000224360502 569941962 /nfs/dbraw/zinc/94/19/62/569941962.db2.gz KDGASDRFBCVXOT-UHFFFAOYSA-N 0 0 466.987 3.086 40 0 JGABRN Cc1ccccc1OCCNC(=O)C1CCN(S(=O)(=O)Cc2cccc(Cl)c2)CC1 ZINC000224362413 569942021 /nfs/dbraw/zinc/94/20/21/569942021.db2.gz RVZSOJZLDWOFGG-UHFFFAOYSA-N 0 0 450.988 3.385 40 0 JGABRN CCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1ccc(C)cc1C)S(C)(=O)=O ZINC000224365955 569942114 /nfs/dbraw/zinc/94/21/14/569942114.db2.gz IMMJRNJUSGFJGV-NRFANRHFSA-N 0 0 477.602 3.152 40 0 JGABRN CCNC(=O)[C@H](CC)N(Cc1ccc(F)cc1)C(=O)CN(c1c(C)cccc1C)S(C)(=O)=O ZINC000224369903 569942296 /nfs/dbraw/zinc/94/22/96/569942296.db2.gz MWBFXWONEPEOCD-NRFANRHFSA-N 0 0 477.602 3.152 40 0 JGABRN CCNC(=O)[C@@H](CC)N(Cc1ccc(F)cc1)C(=O)CCCN(c1ccccc1)S(C)(=O)=O ZINC000224385704 569942760 /nfs/dbraw/zinc/94/27/60/569942760.db2.gz HZISBKUNWZPTER-JOCHJYFZSA-N 0 0 477.602 3.315 40 0 JGABRN CC[C@@H](C(=O)NC1CCCC1)N(Cc1ccc(F)cc1)C(=O)CCN1C(=O)[C@@H]2CC=CC[C@@H]2C1=O ZINC000224397833 569943260 /nfs/dbraw/zinc/94/32/60/569943260.db2.gz GGSLWXZCCBJBFN-ZRBLBEILSA-N 0 0 483.584 3.333 40 0 JGABRN 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GANHMFUXHOZTOC-NFBKMPQASA-N 0 0 479.577 3.277 40 0 JGABRN COCCNC(=O)C(=O)Nn1c(C(=O)Nc2ccc(Br)cc2)cc2cc(Cl)ccc21 ZINC000408579155 570206479 /nfs/dbraw/zinc/20/64/79/570206479.db2.gz NETXMTJEBURYNK-UHFFFAOYSA-N 0 0 493.745 3.142 40 0 JGABRN COC(=O)c1cc(NS(=O)(=O)c2ccc(OC)c(NC(=O)c3ccccc3)c2)cc(C(=O)OC)c1 ZINC000408583241 570207232 /nfs/dbraw/zinc/20/72/32/570207232.db2.gz GOYJOKANRATPJK-UHFFFAOYSA-N 0 0 498.513 3.322 40 0 JGABRN COc1ccc(OC)c(S(=O)(=O)N2CCC[C@@H](C(=O)N[C@H](C)CCc3ccccc3)C2)c1 ZINC000408584990 570207821 /nfs/dbraw/zinc/20/78/21/570207821.db2.gz XLJCLASRIITJNU-UYAOXDASSA-N 0 0 460.596 3.242 40 0 JGABRN CC[C@@H](C)NS(=O)(=O)c1ccc(OCC(=O)N2CCN(c3cccc(C)c3C)CC2)cc1 ZINC000408586984 570208286 /nfs/dbraw/zinc/20/82/86/570208286.db2.gz AQFPPDIPHCGEBW-LJQANCHMSA-N 0 0 459.612 3.108 40 0 JGABRN COc1ccc(CNC(=O)[C@H]2CCCN(S(=O)(=O)c3cc(Cl)ccc3OC)C2)cc1 ZINC000408590081 570208957 /nfs/dbraw/zinc/20/89/57/570208957.db2.gz JACCPZMTUUFPBN-INIZCTEOSA-N 0 0 452.960 3.074 40 0 JGABRN CCN1CCN(C(=O)CN(c2cccc(C(F)(F)F)c2)S(=O)(=O)c2cc(C)ccc2OC)CC1 ZINC000408590396 570209027 /nfs/dbraw/zinc/20/90/27/570209027.db2.gz HAIJOMLNAKYLOU-UHFFFAOYSA-N 0 0 499.555 3.382 40 0 JGABRN CC(C)OCCCNC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Br)cc1 ZINC000408591604 570209249 /nfs/dbraw/zinc/20/92/49/570209249.db2.gz ITCJISLSIAMZMW-HXUWFJFHSA-N 0 0 483.428 3.270 40 0 JGABRN CCOc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN(C/C=C/c4ccccc4)CC3)CC2)cc1 ZINC000408591564 570209232 /nfs/dbraw/zinc/20/92/32/570209232.db2.gz JPDZVFLURMNLEE-RMKNXTFCSA-N 0 0 497.661 3.344 40 0 JGABRN COC(=O)COc1ccc(S(=O)(=O)N2CCN(c3cccc(C(F)(F)F)c3)CC2)cc1C ZINC000408592270 570209474 /nfs/dbraw/zinc/20/94/74/570209474.db2.gz JRVWYWXZCAANPA-UHFFFAOYSA-N 0 0 472.485 3.077 40 0 JGABRN Cc1ccc(S(=O)(=O)N2CCC[C@@H](C(=O)N3CCN(c4cccc(C)c4C)CC3)C2)cc1 ZINC000408592836 570209546 /nfs/dbraw/zinc/20/95/46/570209546.db2.gz MBTXUHOKVHIYED-JOCHJYFZSA-N 0 0 455.624 3.361 40 0 JGABRN COc1ccc(C)cc1S(=O)(=O)N(CC(=O)NCCCOC(C)C)c1ccc(F)cc1 ZINC000408593128 570209743 /nfs/dbraw/zinc/20/97/43/570209743.db2.gz PDDBOPVUYZTWLI-UHFFFAOYSA-N 0 0 452.548 3.269 40 0 JGABRN