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OTRHBTXVQQTSQO-PKOBYXMFSA-N 0 0 450.605 0.839 20 0 JCADRN CCc1ccccc1NC(=O)CN(C)C(=O)[C@@H](C)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000022846486 1069706749 /nfs/dbraw/zinc/70/67/49/1069706749.db2.gz OTRHBTXVQQTSQO-MJGOQNOKSA-N 0 0 450.605 0.839 20 0 JCADRN CCc1ccccc1NC(=O)CN(C)C(=O)[C@H](C)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000022846491 1069706824 /nfs/dbraw/zinc/70/68/24/1069706824.db2.gz OTRHBTXVQQTSQO-HKUYNNGSSA-N 0 0 450.605 0.839 20 0 JCADRN COc1cc(NC(=O)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)ccc1N1CCCC1=O ZINC000022856636 1069503468 /nfs/dbraw/zinc/50/34/68/1069503468.db2.gz RWQICUWABPPBOD-UHFFFAOYSA-N 0 0 460.512 0.767 20 0 JCADRN COc1ccc(NC(=O)C(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1N1CCCC1=O ZINC000022856860 1067852409 /nfs/dbraw/zinc/85/24/09/1067852409.db2.gz HJVMLMQHBAIGPR-UHFFFAOYSA-N 0 0 460.512 0.767 20 0 JCADRN CNS(=O)(=O)c1ccc(C(=O)OCC(=O)NCC2(N3CCOCC3)CCCCC2)cc1 ZINC000022865023 1070294792 /nfs/dbraw/zinc/29/47/92/1070294792.db2.gz AWEHIRADSRMFHT-UHFFFAOYSA-N 0 0 453.561 0.903 20 0 JCADRN C[C@@H](CC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)NC(=O)c1ccccc1 ZINC000022870354 1067804718 /nfs/dbraw/zinc/80/47/18/1067804718.db2.gz ANXDQPSNNCDGKI-INIZCTEOSA-N 0 0 474.539 0.677 20 0 JCADRN C[C@H](CC(=O)NNC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)NC(=O)c1ccccc1 ZINC000022870359 1067804782 /nfs/dbraw/zinc/80/47/82/1067804782.db2.gz ANXDQPSNNCDGKI-MRXNPFEDSA-N 0 0 474.539 0.677 20 0 JCADRN CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)CCn2[nH]c(=O)c3ccccc3c2=O)c1 ZINC000022870466 1067804879 /nfs/dbraw/zinc/80/48/79/1067804879.db2.gz XFKCLZSKTALARO-UHFFFAOYSA-N 0 0 487.538 0.984 20 0 JCADRN O=C(CCn1[nH]c(=O)c2ccccc2c1=O)NNC(=O)c1cccc(S(=O)(=O)N2CCCC2)c1 ZINC000022870677 1067804748 /nfs/dbraw/zinc/80/47/48/1067804748.db2.gz GJWBRUJGFHAUCI-UHFFFAOYSA-N 0 0 485.522 0.738 20 0 JCADRN CCOC(=O)C1=C(COC(=O)CNS(=O)(=O)c2cccc(Br)c2)NC(=O)N[C@@H]1C ZINC000022874415 1070295410 /nfs/dbraw/zinc/29/54/10/1070295410.db2.gz XOEFZVGGTQQXGX-SNVBAGLBSA-N 0 0 490.332 0.789 20 0 JCADRN CCOC(=O)C1=C(COC(=O)CNS(=O)(=O)c2cccc(Br)c2)NC(=O)N[C@H]1C ZINC000022874423 1070295680 /nfs/dbraw/zinc/29/56/80/1070295680.db2.gz XOEFZVGGTQQXGX-JTQLQIEISA-N 0 0 490.332 0.789 20 0 JCADRN CCOC(=O)C1=C(COC(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)NC(=O)N[C@@H]1C ZINC000022874827 1070295696 /nfs/dbraw/zinc/29/56/96/1070295696.db2.gz JEKHORIJWKBKOW-VERVWZFWSA-N 0 0 456.455 0.442 20 0 JCADRN CCOC(=O)C1=C(COC(=O)CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)NC(=O)N[C@@H]1C ZINC000022874832 1070295558 /nfs/dbraw/zinc/29/55/58/1070295558.db2.gz JEKHORIJWKBKOW-IPQOISQHSA-N 0 0 456.455 0.442 20 0 JCADRN CCOC(=O)C1=C(COC(=O)CN2C(=O)N[C@@]3(CCc4ccccc43)C2=O)NC(=O)N[C@H]1C ZINC000022874838 1070295583 /nfs/dbraw/zinc/29/55/83/1070295583.db2.gz JEKHORIJWKBKOW-AMXDTQDGSA-N 0 0 456.455 0.442 20 0 JCADRN CCOC(=O)C1=C(COC(=O)CN2C(=O)N[C@]3(CCc4ccccc43)C2=O)NC(=O)N[C@H]1C ZINC000022874843 1070295337 /nfs/dbraw/zinc/29/53/37/1070295337.db2.gz JEKHORIJWKBKOW-YTEVENLXSA-N 0 0 456.455 0.442 20 0 JCADRN Cn1c2ncn(CC(=O)OCC(=O)N(Cc3ccccc3)CC(F)(F)F)c2c(=O)n(C)c1=O ZINC000022876901 1067806333 /nfs/dbraw/zinc/80/63/33/1067806333.db2.gz LCFAFBMFXMVRSU-UHFFFAOYSA-N 0 0 467.404 0.568 20 0 JCADRN CCOC(=O)C1=C(COC(=O)CCNC2=NS(=O)(=O)c3ccccc32)NC(=O)N[C@@H]1C ZINC000022877209 1070295382 /nfs/dbraw/zinc/29/53/82/1070295382.db2.gz ZSJJEAQAZFKWLW-LLVKDONJSA-N 0 0 450.473 0.177 20 0 JCADRN CCOC(=O)C1=C(COC(=O)CCNC2=NS(=O)(=O)c3ccccc32)NC(=O)N[C@H]1C ZINC000022877216 1070295322 /nfs/dbraw/zinc/29/53/22/1070295322.db2.gz ZSJJEAQAZFKWLW-NSHDSACASA-N 0 0 450.473 0.177 20 0 JCADRN CCOC(=O)c1c(C)c(C(=O)NC)sc1NC(=O)CN1C(=O)N[C@@]2(CCSC2)C1=O ZINC000022877968 1069305731 /nfs/dbraw/zinc/30/57/31/1069305731.db2.gz AHXZUQZYDXFYOZ-GOSISDBHSA-N 0 0 454.530 0.959 20 0 JCADRN CCOC(=O)c1c(C)c(C(=O)NC)sc1NC(=O)CN1C(=O)N[C@]2(CCSC2)C1=O ZINC000022877973 1069305911 /nfs/dbraw/zinc/30/59/11/1069305911.db2.gz AHXZUQZYDXFYOZ-SFHVURJKSA-N 0 0 454.530 0.959 20 0 JCADRN CCOC(=O)C1=C(COC(=O)CCCNC2=NS(=O)(=O)c3ccccc32)NC(=O)N[C@@H]1C ZINC000022878533 1070295261 /nfs/dbraw/zinc/29/52/61/1070295261.db2.gz SVAQCMXENDRONV-GFCCVEGCSA-N 0 0 464.500 0.567 20 0 JCADRN CCOC(=O)C1=C(COC(=O)CCCNC2=NS(=O)(=O)c3ccccc32)NC(=O)N[C@H]1C ZINC000022878540 1070295240 /nfs/dbraw/zinc/29/52/40/1070295240.db2.gz SVAQCMXENDRONV-LBPRGKRZSA-N 0 0 464.500 0.567 20 0 JCADRN Cc1ccccc1CN(C)C(=O)COn1nnc2ccc(S(=O)(=O)N3CCOCC3)cc21 ZINC000022884060 1069503168 /nfs/dbraw/zinc/50/31/68/1069503168.db2.gz OBRAFAAFGKSCBY-UHFFFAOYSA-N 0 0 459.528 0.848 20 0 JCADRN CCOC(=O)C1CCN(C(=O)CSc2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1 ZINC000022884095 1069306222 /nfs/dbraw/zinc/30/62/22/1069306222.db2.gz PGDGTFWYIKAFOW-UHFFFAOYSA-N 0 0 457.574 0.996 20 0 JCADRN NS(=O)(=O)c1ccc(NC(=O)CSc2ccc(S(=O)(=O)N3CCOCC3)cn2)cc1 ZINC000022885377 1069306419 /nfs/dbraw/zinc/30/64/19/1069306419.db2.gz DAZKLBFVROSCSU-UHFFFAOYSA-N 0 0 472.570 0.481 20 0 JCADRN NS(=O)(=O)c1cccc(NC(=O)CSc2ccc(S(=O)(=O)N3CCOCC3)cn2)c1 ZINC000022885386 1069306121 /nfs/dbraw/zinc/30/61/21/1069306121.db2.gz GBGGZSMUNZTKET-UHFFFAOYSA-N 0 0 472.570 0.481 20 0 JCADRN CCOC(=O)N1CCN(C(=O)CSc2ccc(S(=O)(=O)N3CCOCC3)cn2)CC1 ZINC000022885754 1067807211 /nfs/dbraw/zinc/80/72/11/1067807211.db2.gz RLXMXVGYMMTMPB-UHFFFAOYSA-N 0 0 458.562 0.495 20 0 JCADRN CC(C)Cn1c(N)c(C(=O)CSc2ccc(S(=O)(=O)N3CCOCC3)cn2)c(=O)n(C)c1=O ZINC000022885865 1069306174 /nfs/dbraw/zinc/30/61/74/1069306174.db2.gz QAFXFLBMIFCWJS-UHFFFAOYSA-N 0 0 497.599 0.176 20 0 JCADRN O=C(CSc1ccc(S(=O)(=O)N2CCOCC2)cn1)NNC(=O)c1ccc([N+](=O)[O-])cc1 ZINC000022885917 1067807465 /nfs/dbraw/zinc/80/74/65/1067807465.db2.gz NIPOCTXDQLFJPO-UHFFFAOYSA-N 0 0 481.512 0.564 20 0 JCADRN Cc1ccc(C(=O)NNC(=O)CSc2ccc(S(=O)(=O)N3CCOCC3)cn2)cc1 ZINC000022885929 1067807174 /nfs/dbraw/zinc/80/71/74/1067807174.db2.gz CQULVOSBAXGJBW-UHFFFAOYSA-N 0 0 450.542 0.964 20 0 JCADRN COc1ccc(C(=O)NNC(=O)CSc2ccc(S(=O)(=O)N3CCOCC3)cn2)cc1OC ZINC000022886024 1067807404 /nfs/dbraw/zinc/80/74/04/1067807404.db2.gz XDNJNTYARVRFAH-UHFFFAOYSA-N 0 0 496.567 0.673 20 0 JCADRN CC(C)CN(C(=O)CSc1ccc(S(=O)(=O)N2CCOCC2)cn1)[C@@H]1CCS(=O)(=O)C1 ZINC000022887343 1069306318 /nfs/dbraw/zinc/30/63/18/1069306318.db2.gz VRJPXSDTJSVBOT-MRXNPFEDSA-N 0 0 491.657 0.866 20 0 JCADRN CC(C)CN(C(=O)CSc1ccc(S(=O)(=O)N2CCOCC2)cn1)[C@H]1CCS(=O)(=O)C1 ZINC000022887348 1069306363 /nfs/dbraw/zinc/30/63/63/1069306363.db2.gz VRJPXSDTJSVBOT-INIZCTEOSA-N 0 0 491.657 0.866 20 0 JCADRN Cc1ccc(NC(=O)CSc2ccc(S(=O)(=O)N3CCOCC3)cn2)cc1S(N)(=O)=O ZINC000022888865 1069503388 /nfs/dbraw/zinc/50/33/88/1069503388.db2.gz VQPLTKXELQRNLX-UHFFFAOYSA-N 0 0 486.597 0.789 20 0 JCADRN Cn1c(=O)c(C(=O)COC(=O)c2ccc(-n3cncn3)cc2)c(N)n(Cc2ccccc2)c1=O ZINC000022890792 1067807224 /nfs/dbraw/zinc/80/72/24/1067807224.db2.gz NLTVUIFILHCOON-UHFFFAOYSA-N 0 0 460.450 0.798 20 0 JCADRN O=C(COC(=O)c1ccc(-n2cncn2)cc1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000022891729 1067807241 /nfs/dbraw/zinc/80/72/41/1067807241.db2.gz IBGKMOKHBFXSLT-UHFFFAOYSA-N 0 0 455.496 0.957 20 0 JCADRN CCN(C(=O)COC(=O)c1ccc(-n2cncn2)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000022892255 1067807325 /nfs/dbraw/zinc/80/73/25/1067807325.db2.gz AHNUQLNNMWEWMP-UHFFFAOYSA-N 0 0 489.492 0.958 20 0 JCADRN Cn1cnc2c1c(=O)n(CCCN1CCN(S(=O)(=O)c3ccc4ccccc4c3)CC1)c(=O)n2C ZINC000022892837 1069306333 /nfs/dbraw/zinc/30/63/33/1069306333.db2.gz QIMYQYSRUGRHDB-UHFFFAOYSA-N 0 0 496.593 0.984 20 0 JCADRN Cn1cnc2c1c(=O)n(CCCN1CCN(S(=O)(=O)c3ccc(Cl)cc3)CC1)c(=O)n2C ZINC000022892857 1069306274 /nfs/dbraw/zinc/30/62/74/1069306274.db2.gz USDOUHKNDSKSET-UHFFFAOYSA-N 0 0 480.978 0.484 20 0 JCADRN Cc1ccc(C)c(S(=O)(=O)N2CCN(CCCn3c(=O)c4c(ncn4C)n(C)c3=O)CC2)c1 ZINC000022892869 1069306156 /nfs/dbraw/zinc/30/61/56/1069306156.db2.gz ORMRLTKWYWITAY-UHFFFAOYSA-N 0 0 474.587 0.447 20 0 JCADRN Cn1cnc2c1c(=O)n(CCCN1CCN(S(=O)(=O)c3cccc(Cl)c3)CC1)c(=O)n2C ZINC000022892935 1069306405 /nfs/dbraw/zinc/30/64/05/1069306405.db2.gz XVTDHKRYLOJDPT-UHFFFAOYSA-N 0 0 480.978 0.484 20 0 JCADRN CN(C)S(=O)(=O)c1cccc(C(=O)NNC(=O)CCn2[nH]c(=O)c3ccccc3c2=O)c1 ZINC000022893560 1067808302 /nfs/dbraw/zinc/80/83/02/1067808302.db2.gz LYULIPWIVSUJSP-UHFFFAOYSA-N 0 0 459.484 0.204 20 0 JCADRN Cn1nc(CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)c2ccccc2c1=O ZINC000022898594 1069306240 /nfs/dbraw/zinc/30/62/40/1069306240.db2.gz PPDXXJBBHWLGLV-UHFFFAOYSA-N 0 0 484.534 0.780 20 0 JCADRN COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)COc1cccc(-n2cnnn2)c1 ZINC000022899580 1069306258 /nfs/dbraw/zinc/30/62/58/1069306258.db2.gz VYWVRCKRSMRCDD-UHFFFAOYSA-N 0 0 474.499 0.709 20 0 JCADRN COc1ccc(NS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)cc1S(=O)(=O)N1CCOCC1 ZINC000022903080 1069503248 /nfs/dbraw/zinc/50/32/48/1069503248.db2.gz LAOAHSXVNXQRID-UHFFFAOYSA-N 0 0 483.524 0.962 20 0 JCADRN CCN(CC)S(=O)(=O)c1ccc(=NNS(=O)(=O)c2ccc3c(c2)oc(=O)n3C)[nH]c1 ZINC000022903290 1069884282 /nfs/dbraw/zinc/88/42/82/1069884282.db2.gz KMYDRRFTCHAIRA-UHFFFAOYSA-N 0 0 455.518 0.862 20 0 JCADRN 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OEPPFEMQCXYCDY-QGZVFWFLSA-N 0 0 460.516 0.245 20 0 JCADRN Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C2=NN(c3ccccc3)[C@H](C(N)=O)C2)CC1 ZINC000030866144 1070142614 /nfs/dbraw/zinc/14/26/14/1070142614.db2.gz OEPPFEMQCXYCDY-KRWDZBQOSA-N 0 0 460.516 0.245 20 0 JCADRN Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C2CCN(c3ccc4nncn4n3)CC2)CC1 ZINC000030866174 1069386228 /nfs/dbraw/zinc/38/62/28/1069386228.db2.gz VUSVEFKFEZCLCY-UHFFFAOYSA-N 0 0 474.547 0.479 20 0 JCADRN CCN(CC)S(=O)(=O)c1cc(C(=O)N2CCN(c3cc(C)nc4ncnn43)CC2)n(C)c1 ZINC000030867163 1070142484 /nfs/dbraw/zinc/14/24/84/1070142484.db2.gz DHFHJPDGCPPPAC-UHFFFAOYSA-N 0 0 460.564 0.764 20 0 JCADRN Cc1cc(N2CCN(C(=O)Cn3c(=O)ccn(Cc4ccccc4)c3=O)CC2)n2ncnc2n1 ZINC000030867363 1069386001 /nfs/dbraw/zinc/38/60/01/1069386001.db2.gz MEENCISEXZJFEG-UHFFFAOYSA-N 0 0 460.498 0.153 20 0 JCADRN COc1cc(C(=O)NCC(=O)N2CCN(c3cc(C)nc4ncnn43)CC2)cc(OC)c1OC ZINC000030867433 1069385979 /nfs/dbraw/zinc/38/59/79/1069385979.db2.gz AAORMJSHIWRZKI-UHFFFAOYSA-N 0 0 469.502 0.537 20 0 JCADRN COc1ccc(S(=O)(=O)NCCC(=O)N2CCN(c3cc(C)nc4ncnn43)CC2)cc1OC ZINC000030867814 1069386537 /nfs/dbraw/zinc/38/65/37/1069386537.db2.gz LFZYVQLBKVOFJA-UHFFFAOYSA-N 0 0 489.558 0.467 20 0 JCADRN COc1ccc([C@@]2(C)NC(=O)N(CC(=O)N3CCN(c4cc(C)nc5ncnn54)CC3)C2=O)cc1 ZINC000030868505 1070143531 /nfs/dbraw/zinc/14/35/31/1070143531.db2.gz NEOWAYYDNWIQOC-HSZRJFAPSA-N 0 0 478.513 0.557 20 0 JCADRN COc1ccc([C@]2(C)NC(=O)N(CC(=O)N3CCN(c4cc(C)nc5ncnn54)CC3)C2=O)cc1 ZINC000030868511 1070143477 /nfs/dbraw/zinc/14/34/77/1070143477.db2.gz NEOWAYYDNWIQOC-QHCPKHFHSA-N 0 0 478.513 0.557 20 0 JCADRN CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N2CCN(c3cc(C)nc4ncnn43)CC2)cc1 ZINC000030868748 1069386552 /nfs/dbraw/zinc/38/65/52/1069386552.db2.gz NEFQBCBEDCIHCF-UHFFFAOYSA-N 0 0 486.558 0.360 20 0 JCADRN CCOc1ccc(S(=O)(=O)NCCC(=O)N2CCN(c3cc(C)nc4ncnn43)CC2)cc1 ZINC000030868837 1069386578 /nfs/dbraw/zinc/38/65/78/1069386578.db2.gz VVIGVPICCRCFKL-UHFFFAOYSA-N 0 0 473.559 0.849 20 0 JCADRN 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JCADRN O=C(CCNC(=O)c1cccs1)N1CCN(S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)CC1 ZINC000032705242 1069413769 /nfs/dbraw/zinc/41/37/69/1069413769.db2.gz SEYJNDQNYJDSTR-UHFFFAOYSA-N 0 0 463.541 0.571 20 0 JCADRN CCc1[nH]c(C(=O)N2CCN(S(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)CC2)c(C)c1C(=O)OC ZINC000032705248 1069413729 /nfs/dbraw/zinc/41/37/29/1069413729.db2.gz OXKRZYDHXZESRH-UHFFFAOYSA-N 0 0 475.527 0.988 20 0 JCADRN Cn1nc(CC(=O)N2CCN(S(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)CC2)c2ccccc2c1=O ZINC000032705282 1069413716 /nfs/dbraw/zinc/41/37/16/1069413716.db2.gz FRLSJTCYWMOQSY-UHFFFAOYSA-N 0 0 482.522 0.179 20 0 JCADRN O=C(c1ccc(-n2cncn2)cc1)N1CCN(S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)CC1 ZINC000032705288 1069840569 /nfs/dbraw/zinc/84/05/69/1069840569.db2.gz BSYBFXMAEBJDQX-UHFFFAOYSA-N 0 0 453.484 0.584 20 0 JCADRN CC(=O)N1C[C@@H](C(=O)N2CCN(S(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)CC2)Oc2ccccc21 ZINC000032705291 1068077493 /nfs/dbraw/zinc/07/74/93/1068077493.db2.gz GRUYKKMQJKEVDR-FQEVSTJZSA-N 0 0 485.522 0.503 20 0 JCADRN CC(=O)N1C[C@H](C(=O)N2CCN(S(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)CC2)Oc2ccccc21 ZINC000032705292 1068077463 /nfs/dbraw/zinc/07/74/63/1068077463.db2.gz GRUYKKMQJKEVDR-HXUWFJFHSA-N 0 0 485.522 0.503 20 0 JCADRN Cc1nc2ncnn2c(C)c1CCC(=O)N1CCN(S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)CC1 ZINC000032705297 1069413753 /nfs/dbraw/zinc/41/37/53/1069413753.db2.gz GNNCECXPOUAEGX-UHFFFAOYSA-N 0 0 484.542 0.376 20 0 JCADRN O=C(c1ccc(CN2C(=O)CCC2=O)cc1)N1CCN(S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)CC1 ZINC000032705309 1069840249 /nfs/dbraw/zinc/84/02/49/1069840249.db2.gz MMSYTMHSJKPSSY-UHFFFAOYSA-N 0 0 497.533 0.652 20 0 JCADRN CC(=O)NCc1ccc(C(=O)N2CCN(S(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)CC2)cc1 ZINC000032705310 1069413742 /nfs/dbraw/zinc/41/37/42/1069413742.db2.gz HCUIMQQZXDFJRY-UHFFFAOYSA-N 0 0 457.512 0.639 20 0 JCADRN CC(=O)Nc1ccc(CC(=O)N2CCN(S(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)CC2)cc1 ZINC000032705311 1069413763 /nfs/dbraw/zinc/41/37/63/1069413763.db2.gz AKTXJMXOTFLGOD-UHFFFAOYSA-N 0 0 457.512 0.890 20 0 JCADRN O=C(CCn1c(=O)oc2ccccc21)N1CCN(S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)CC1 ZINC000032705312 1069840269 /nfs/dbraw/zinc/84/02/69/1069840269.db2.gz IDPVGMVQTDDEBH-UHFFFAOYSA-N 0 0 471.495 0.687 20 0 JCADRN O=C(CCCNC(=O)c1ccsc1)N1CCN(S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)CC1 ZINC000032705316 1069413750 /nfs/dbraw/zinc/41/37/50/1069413750.db2.gz RXFSFVZPBZUNKV-UHFFFAOYSA-N 0 0 477.568 0.961 20 0 JCADRN O=C(CCNC(=O)c1ccsc1)N1CCN(S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)CC1 ZINC000032705317 1069413712 /nfs/dbraw/zinc/41/37/12/1069413712.db2.gz ZWINNOWOPOBTGD-UHFFFAOYSA-N 0 0 463.541 0.571 20 0 JCADRN O=C(CN1C(=O)CSc2ccccc21)N1CCN(S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)CC1 ZINC000032705321 1069840497 /nfs/dbraw/zinc/84/04/97/1069840497.db2.gz JBDCGJLOVFPVJE-UHFFFAOYSA-N 0 0 487.563 0.828 20 0 JCADRN O=C(CCN1C(=O)COc2ccccc21)N1CCN(S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)CC1 ZINC000032705338 1069413738 /nfs/dbraw/zinc/41/37/38/1069413738.db2.gz ORVXHTOOABBVDS-UHFFFAOYSA-N 0 0 485.522 0.505 20 0 JCADRN COc1cc(C(=O)N2CCN(S(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)CC2)cc2c1OCCO2 ZINC000032705349 1069413745 /nfs/dbraw/zinc/41/37/45/1069413745.db2.gz MFFMKUVVXYDZLW-UHFFFAOYSA-N 0 0 474.495 0.783 20 0 JCADRN O=C(CNC(=O)c1cccc(Cl)c1)N1CCN(S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)CC1 ZINC000032705381 1069413758 /nfs/dbraw/zinc/41/37/58/1069413758.db2.gz LACYVDNXDCIECF-UHFFFAOYSA-N 0 0 477.930 0.773 20 0 JCADRN O=C(CN1c2ccccc2OCCC1=O)N1CCN(S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)CC1 ZINC000032705398 1068077301 /nfs/dbraw/zinc/07/73/01/1068077301.db2.gz GCCKCIYRCHAJRB-UHFFFAOYSA-N 0 0 485.522 0.505 20 0 JCADRN CC(C)(C)OC(=O)NCCC(=O)N1CCN(S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)CC1 ZINC000032705399 1068077423 /nfs/dbraw/zinc/07/74/23/1068077423.db2.gz AIQNIAQZZAVUEN-UHFFFAOYSA-N 0 0 453.521 0.604 20 0 JCADRN O=C(Cc1csc(N2CCCC2=O)n1)N1CCN(S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)CC1 ZINC000032705400 1069413732 /nfs/dbraw/zinc/41/37/32/1069413732.db2.gz GPAWMZXGOHYPKE-UHFFFAOYSA-N 0 0 490.567 0.515 20 0 JCADRN 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476.573 0.329 20 0 JCADRN COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)OCC(=O)NC[C@@H]2COc3ccccc3O2)cc1 ZINC000108493343 1069932874 /nfs/dbraw/zinc/93/28/74/1069932874.db2.gz AYMBONXMKRMPLZ-GOEBONIOSA-N 0 0 464.496 0.861 20 0 JCADRN COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)OCC(=O)NC[C@H]2COc3ccccc3O2)cc1 ZINC000108493347 1069932853 /nfs/dbraw/zinc/93/28/53/1069932853.db2.gz AYMBONXMKRMPLZ-HOCLYGCPSA-N 0 0 464.496 0.861 20 0 JCADRN CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCN([C@@H](C)C(=O)NC3CC3)CC2)cc1 ZINC000108494849 1068033349 /nfs/dbraw/zinc/03/33/49/1068033349.db2.gz VRARPQMBYDKBOA-GJZGRUSLSA-N 0 0 465.576 0.123 20 0 JCADRN CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCN([C@H](C)C(=O)NC3CC3)CC2)cc1 ZINC000108494852 1068033481 /nfs/dbraw/zinc/03/34/81/1068033481.db2.gz VRARPQMBYDKBOA-LSDHHAIUSA-N 0 0 465.576 0.123 20 0 JCADRN CC(C)[C@H](NS(=O)(=O)c1ccccc1F)C(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000108495237 1070052738 /nfs/dbraw/zinc/05/27/38/1070052738.db2.gz FFCWRLYOFJLKET-QAPCUYQASA-N 0 0 461.581 0.460 20 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C[C@H](NS(=O)(=O)c1ccc(NS(C)(=O)=O)cc1F)c1cccc(S(N)(=O)=O)c1 ZINC000477162822 1070074770 /nfs/dbraw/zinc/07/47/70/1070074770.db2.gz MELAUZOVDKRQDV-JTQLQIEISA-N 0 0 451.523 0.884 20 0 JCADRN C[C@@H](NS(=O)(=O)c1ccc(NS(C)(=O)=O)cc1F)c1cccc(S(N)(=O)=O)c1 ZINC000477162824 1070074569 /nfs/dbraw/zinc/07/45/69/1070074569.db2.gz MELAUZOVDKRQDV-SNVBAGLBSA-N 0 0 451.523 0.884 20 0 JCADRN CCN(CC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1)Cc1ccc(C(=O)N(C)C)cc1 ZINC000477166450 1070074159 /nfs/dbraw/zinc/07/41/59/1070074159.db2.gz RIALROGTWRGNMQ-FQEVSTJZSA-N 0 0 450.605 0.542 20 0 JCADRN CCN(CC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1)Cc1ccc(C(=O)N(C)C)cc1 ZINC000477166455 1070074050 /nfs/dbraw/zinc/07/40/50/1070074050.db2.gz RIALROGTWRGNMQ-HXUWFJFHSA-N 0 0 450.605 0.542 20 0 JCADRN CCCNC(=O)CN1CCC(NS(=O)(=O)c2ccc(NS(C)(=O)=O)cc2F)CC1 ZINC000477168003 1070073731 /nfs/dbraw/zinc/07/37/31/1070073731.db2.gz SQJZDMGECNCXRO-UHFFFAOYSA-N 0 0 450.558 0.466 20 0 JCADRN COCC(=O)N1CCN(S(=O)(=O)c2ccc(S(=O)(=O)N3C[C@H](C)C[C@H](C)C3)cc2)CC1 ZINC000477168848 1070074177 /nfs/dbraw/zinc/07/41/77/1070074177.db2.gz USFNCLKLEODIMB-CALCHBBNSA-N 0 0 473.617 0.833 20 0 JCADRN COCC(=O)N1CCN(S(=O)(=O)c2ccc(S(=O)(=O)N3C[C@H](C)C[C@@H](C)C3)cc2)CC1 ZINC000477168851 1070074141 /nfs/dbraw/zinc/07/41/41/1070074141.db2.gz USFNCLKLEODIMB-IAGOWNOFSA-N 0 0 473.617 0.833 20 0 JCADRN COCC(=O)N1CCN(S(=O)(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)cc2)CC1 ZINC000477168853 1070073917 /nfs/dbraw/zinc/07/39/17/1070073917.db2.gz USFNCLKLEODIMB-IRXDYDNUSA-N 0 0 473.617 0.833 20 0 JCADRN CN(CCS(=O)(=O)NCC(=O)NCCc1ccccc1)S(=O)(=O)c1ccc(F)cc1 ZINC000477169153 1070073996 /nfs/dbraw/zinc/07/39/96/1070073996.db2.gz YJNHFUXKCWTEEE-UHFFFAOYSA-N 0 0 457.549 0.725 20 0 JCADRN COCCCNC(=O)C1CCN(S(=O)(=O)c2ccc(NS(C)(=O)=O)cc2F)CC1 ZINC000477169807 1070073957 /nfs/dbraw/zinc/07/39/57/1070073957.db2.gz WNVFLFWUIRKATI-UHFFFAOYSA-N 0 0 451.542 0.751 20 0 JCADRN O=S(=O)(NC1CCN(S(=O)(=O)c2ccc(-n3cnnn3)cc2)CC1)c1cccs1 ZINC000477172448 1070073938 /nfs/dbraw/zinc/07/39/38/1070073938.db2.gz AYXDLIWTSNAHOT-UHFFFAOYSA-N 0 0 454.559 0.855 20 0 JCADRN CNS(=O)(=O)c1cccc(S(=O)(=O)N2CCC(NS(=O)(=O)c3cccs3)CC2)c1 ZINC000477172865 1070073770 /nfs/dbraw/zinc/07/37/70/1070073770.db2.gz CKINFAKYHCCCKB-UHFFFAOYSA-N 0 0 479.627 0.788 20 0 JCADRN CCCS(=O)(=O)N1CCC(NS(=O)(=O)c2ccc(NS(C)(=O)=O)cc2F)CC1 ZINC000477174397 1070074864 /nfs/dbraw/zinc/07/48/64/1070074864.db2.gz HKMBROXWPGLHCB-UHFFFAOYSA-N 0 0 457.571 0.680 20 0 JCADRN CS(=O)(=O)Nc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)c3cccnc3)CC2)c(F)c1 ZINC000477179990 1070074613 /nfs/dbraw/zinc/07/46/13/1070074613.db2.gz SODUYJAKKRODPK-UHFFFAOYSA-N 0 0 478.549 0.287 20 0 JCADRN CN1CCN(C(=O)C2CCN(S(=O)(=O)c3ccc(NS(C)(=O)=O)cc3F)CC2)CC1 ZINC000477180759 1070074809 /nfs/dbraw/zinc/07/48/09/1070074809.db2.gz VCHXNUPTDAFJDL-UHFFFAOYSA-N 0 0 462.569 0.372 20 0 JCADRN Cn1ncc2c1ncnc2N1CCN(S(=O)(=O)c2ccc(NS(C)(=O)=O)cc2F)CC1 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LNOYNYHGQJINCQ-IAGOWNOFSA-N 0 0 486.660 0.842 20 0 JCADRN CNC(=O)CN1CCC(NS(=O)(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)cc2)CC1 ZINC000477191878 1070075579 /nfs/dbraw/zinc/07/55/79/1070075579.db2.gz LNOYNYHGQJINCQ-IRXDYDNUSA-N 0 0 486.660 0.842 20 0 JCADRN CS(=O)(=O)Nc1ccc(S(=O)(=O)NC[C@@]2(N3CCOCC3)CCSC2)c(F)c1 ZINC000477195730 1070075475 /nfs/dbraw/zinc/07/54/75/1070075475.db2.gz RFOZYCOMCOCMIK-INIZCTEOSA-N 0 0 453.583 0.683 20 0 JCADRN CS(=O)(=O)Nc1ccc(S(=O)(=O)NC[C@]2(N3CCOCC3)CCSC2)c(F)c1 ZINC000477195749 1070075162 /nfs/dbraw/zinc/07/51/62/1070075162.db2.gz RFOZYCOMCOCMIK-MRXNPFEDSA-N 0 0 453.583 0.683 20 0 JCADRN C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(S(=O)(=O)NCCC(=O)N3CCN(C)CC3)cc2)C1 ZINC000477196092 1070075340 /nfs/dbraw/zinc/07/53/40/1070075340.db2.gz RYWLLONYUXZONF-HDICACEKSA-N 0 0 486.660 0.796 20 0 JCADRN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(S(=O)(=O)NCCC(=O)N3CCN(C)CC3)cc2)C1 ZINC000477196094 1070075408 /nfs/dbraw/zinc/07/54/08/1070075408.db2.gz RYWLLONYUXZONF-QZTJIDSGSA-N 0 0 486.660 0.796 20 0 JCADRN C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(S(=O)(=O)NCCC(=O)N3CCN(C)CC3)cc2)C1 ZINC000477196096 1070075264 /nfs/dbraw/zinc/07/52/64/1070075264.db2.gz RYWLLONYUXZONF-ROUUACIJSA-N 0 0 486.660 0.796 20 0 JCADRN C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCN(CC(=O)NC4CC4)CC3)cc2)C1 ZINC000477196195 1070075443 /nfs/dbraw/zinc/07/54/43/1070075443.db2.gz SHZBGOWKRBMSOK-HDICACEKSA-N 0 0 498.671 0.938 20 0 JCADRN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCN(CC(=O)NC4CC4)CC3)cc2)C1 ZINC000477196198 1070075391 /nfs/dbraw/zinc/07/53/91/1070075391.db2.gz SHZBGOWKRBMSOK-QZTJIDSGSA-N 0 0 498.671 0.938 20 0 JCADRN C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(S(=O)(=O)N3CCN(CC(=O)NC4CC4)CC3)cc2)C1 ZINC000477196200 1070075244 /nfs/dbraw/zinc/07/52/44/1070075244.db2.gz SHZBGOWKRBMSOK-ROUUACIJSA-N 0 0 498.671 0.938 20 0 JCADRN CNS(=O)(=O)c1cccc(S(=O)(=O)N(Cc2ccc(OC)cc2)[C@H]2CCS(=O)(=O)C2)c1 ZINC000477196588 1070075561 /nfs/dbraw/zinc/07/55/61/1070075561.db2.gz SWBCPCCUNJJBRD-INIZCTEOSA-N 0 0 488.609 0.981 20 0 JCADRN CNS(=O)(=O)c1cccc(S(=O)(=O)N(Cc2ccc(OC)cc2)[C@@H]2CCS(=O)(=O)C2)c1 ZINC000477196597 1070075542 /nfs/dbraw/zinc/07/55/42/1070075542.db2.gz SWBCPCCUNJJBRD-MRXNPFEDSA-N 0 0 488.609 0.981 20 0 JCADRN CS(=O)(=O)Nc1ccc(S(=O)(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)c(F)c1 ZINC000477206043 1070075835 /nfs/dbraw/zinc/07/58/35/1070075835.db2.gz NJDPYQLDQGTXIF-UHFFFAOYSA-N 0 0 484.531 0.248 20 0 JCADRN CN(C1CCN(S(=O)(=O)c2cc3c(cc2Br)NC(=O)CO3)CC1)S(C)(=O)=O ZINC000477218235 1070075782 /nfs/dbraw/zinc/07/57/82/1070075782.db2.gz HIAALGSHGQHXQT-UHFFFAOYSA-N 0 0 482.378 0.825 20 0 JCADRN NC(=O)[C@H](NS(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1)c1cccc(Br)c1 ZINC000477224698 1070076148 /nfs/dbraw/zinc/07/61/48/1070076148.db2.gz UPIOKXQIZFRBFC-CYBMUJFWSA-N 0 0 453.274 0.484 20 0 JCADRN NC(=O)[C@@H](NS(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1)c1cccc(Br)c1 ZINC000477224699 1070075918 /nfs/dbraw/zinc/07/59/18/1070075918.db2.gz UPIOKXQIZFRBFC-ZDUSSCGKSA-N 0 0 453.274 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0.776 20 0 JCADRN C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(C(=O)NCCC(=O)N[C@H]3CCS(=O)(=O)C3)c2)C1 ZINC000479140319 1070128286 /nfs/dbraw/zinc/12/82/86/1070128286.db2.gz CXFQKZUILJUVEV-NUJGCVRESA-N 0 0 485.628 0.776 20 0 JCADRN C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2cccc(C(=O)NCCC(=O)N[C@@H]3CCS(=O)(=O)C3)c2)C1 ZINC000479140322 1070128126 /nfs/dbraw/zinc/12/81/26/1070128126.db2.gz CXFQKZUILJUVEV-SOLBZPMBSA-N 0 0 485.628 0.776 20 0 JCADRN Cc1cc(=O)c(C(=O)NCCC(=O)N[C@@H]2CCS(=O)(=O)C2)nn1-c1ccccc1C(F)(F)F ZINC000479140342 1070128273 /nfs/dbraw/zinc/12/82/73/1070128273.db2.gz DARCGRAVZGXVOY-CYBMUJFWSA-N 0 0 486.472 0.983 20 0 JCADRN Cc1cc(=O)c(C(=O)NCCC(=O)N[C@H]2CCS(=O)(=O)C2)nn1-c1ccccc1C(F)(F)F ZINC000479140345 1070128177 /nfs/dbraw/zinc/12/81/77/1070128177.db2.gz DARCGRAVZGXVOY-ZDUSSCGKSA-N 0 0 486.472 0.983 20 0 JCADRN CCN(CC)S(=O)(=O)c1cc(C(=O)NCCC(=O)N[C@H]2CCS(=O)(=O)C2)ccc1OC ZINC000479140380 1070128116 /nfs/dbraw/zinc/12/81/16/1070128116.db2.gz DIKQPMUWSNLTHF-HNNXBMFYSA-N 0 0 475.589 0.149 20 0 JCADRN CCN(CC)S(=O)(=O)c1cc(C(=O)NCCC(=O)N[C@@H]2CCS(=O)(=O)C2)ccc1OC ZINC000479140381 1070128083 /nfs/dbraw/zinc/12/80/83/1070128083.db2.gz DIKQPMUWSNLTHF-OAHLLOKOSA-N 0 0 475.589 0.149 20 0 JCADRN O=C(CCNC(=O)CSCc1nc2sc3c(c2c(=O)[nH]1)CCC3)N[C@@H]1CCS(=O)(=O)C1 ZINC000479140696 1070125378 /nfs/dbraw/zinc/12/53/78/1070125378.db2.gz FYWYJFRBGPHANN-LLVKDONJSA-N 0 0 484.625 0.928 20 0 JCADRN O=C(CCNC(=O)CSCc1nc2sc3c(c2c(=O)[nH]1)CCC3)N[C@H]1CCS(=O)(=O)C1 ZINC000479140699 1070125488 /nfs/dbraw/zinc/12/54/88/1070125488.db2.gz FYWYJFRBGPHANN-NSHDSACASA-N 0 0 484.625 0.928 20 0 JCADRN Cc1cc(=O)c(C(=O)NCCC(=O)N[C@H]2CCS(=O)(=O)C2)nn1-c1cccc(C(F)(F)F)c1 ZINC000479140721 1070125421 /nfs/dbraw/zinc/12/54/21/1070125421.db2.gz GFCMTLVFQCVLEP-AWEZNQCLSA-N 0 0 486.472 0.983 20 0 JCADRN Cc1cc(=O)c(C(=O)NCCC(=O)N[C@@H]2CCS(=O)(=O)C2)nn1-c1cccc(C(F)(F)F)c1 ZINC000479140722 1070125478 /nfs/dbraw/zinc/12/54/78/1070125478.db2.gz GFCMTLVFQCVLEP-CQSZACIVSA-N 0 0 486.472 0.983 20 0 JCADRN CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)NCCC(=O)N[C@H]2CCS(=O)(=O)C2)c1 ZINC000479141144 1070124533 /nfs/dbraw/zinc/12/45/33/1070124533.db2.gz GWGAVXHACBSTKS-HNNXBMFYSA-N 0 0 459.590 0.449 20 0 JCADRN CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)NCCC(=O)N[C@@H]2CCS(=O)(=O)C2)c1 ZINC000479141145 1070124541 /nfs/dbraw/zinc/12/45/41/1070124541.db2.gz GWGAVXHACBSTKS-OAHLLOKOSA-N 0 0 459.590 0.449 20 0 JCADRN O=C(CCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1)N[C@H]1CCS(=O)(=O)C1 ZINC000479142101 1070125454 /nfs/dbraw/zinc/12/54/54/1070125454.db2.gz JZXSRNMQQDFHNG-PMACEKPBSA-N 0 0 457.552 0.837 20 0 JCADRN O=C(CCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccccc1)N[C@@H]1CCS(=O)(=O)C1 ZINC000479142102 1070125499 /nfs/dbraw/zinc/12/54/99/1070125499.db2.gz JZXSRNMQQDFHNG-UXHICEINSA-N 0 0 457.552 0.837 20 0 JCADRN O=C(CCNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1)N[C@H]1CCS(=O)(=O)C1 ZINC000479142103 1070125393 /nfs/dbraw/zinc/12/53/93/1070125393.db2.gz JZXSRNMQQDFHNG-VQTJNVASSA-N 0 0 457.552 0.837 20 0 JCADRN O=C(CCNC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1)N[C@@H]1CCS(=O)(=O)C1 ZINC000479142104 1070125364 /nfs/dbraw/zinc/12/53/64/1070125364.db2.gz JZXSRNMQQDFHNG-WOJBJXKFSA-N 0 0 457.552 0.837 20 0 JCADRN O=C(CCCNS(=O)(=O)c1cccc(C(F)(F)F)c1)NCCC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000479142110 1070125351 /nfs/dbraw/zinc/12/53/51/1070125351.db2.gz KCELBGXNDLYKFF-AWEZNQCLSA-N 0 0 499.533 0.574 20 0 JCADRN O=C(CCCNS(=O)(=O)c1cccc(C(F)(F)F)c1)NCCC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000479142111 1070125373 /nfs/dbraw/zinc/12/53/73/1070125373.db2.gz KCELBGXNDLYKFF-CQSZACIVSA-N 0 0 499.533 0.574 20 0 JCADRN O=C(CCNC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1)N[C@H]1CCS(=O)(=O)C1 ZINC000479142744 1070125413 /nfs/dbraw/zinc/12/54/13/1070125413.db2.gz MAJASYJDHAAPIL-INIZCTEOSA-N 0 0 457.574 0.284 20 0 JCADRN O=C(CCNC(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1)N[C@@H]1CCS(=O)(=O)C1 ZINC000479142745 1070125509 /nfs/dbraw/zinc/12/55/09/1070125509.db2.gz MAJASYJDHAAPIL-MRXNPFEDSA-N 0 0 457.574 0.284 20 0 JCADRN CCS(=O)(=O)N1CCC(C(=O)NCCC(=O)N[C@@H]2CCS(=O)(=O)C2)(c2ccccc2)CC1 ZINC000479142778 1070125314 /nfs/dbraw/zinc/12/53/14/1070125314.db2.gz MMKSGVVDHSOFAU-GOSISDBHSA-N 0 0 485.628 0.180 20 0 JCADRN CCS(=O)(=O)N1CCC(C(=O)NCCC(=O)N[C@H]2CCS(=O)(=O)C2)(c2ccccc2)CC1 ZINC000479142779 1070125463 /nfs/dbraw/zinc/12/54/63/1070125463.db2.gz MMKSGVVDHSOFAU-SFHVURJKSA-N 0 0 485.628 0.180 20 0 JCADRN O=C(CCNC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1)N[C@@H]1CCS(=O)(=O)C1 ZINC000479143217 1070125401 /nfs/dbraw/zinc/12/54/01/1070125401.db2.gz NNVGVDGPDBGLNO-GOSISDBHSA-N 0 0 491.591 0.861 20 0 JCADRN O=C(CCNC(=O)c1cccc(S(=O)(=O)N2CCc3ccccc32)c1)N[C@H]1CCS(=O)(=O)C1 ZINC000479143222 1070125439 /nfs/dbraw/zinc/12/54/39/1070125439.db2.gz NNVGVDGPDBGLNO-SFHVURJKSA-N 0 0 491.591 0.861 20 0 JCADRN O=C(CCn1cnc2ccc(Br)cc2c1=O)NCCC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000479143712 1070125428 /nfs/dbraw/zinc/12/54/28/1070125428.db2.gz PWOSFQIAHQQWBD-CYBMUJFWSA-N 0 0 485.360 0.359 20 0 JCADRN O=C(CCn1cnc2ccc(Br)cc2c1=O)NCCC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000479143713 1070125472 /nfs/dbraw/zinc/12/54/72/1070125472.db2.gz PWOSFQIAHQQWBD-ZDUSSCGKSA-N 0 0 485.360 0.359 20 0 JCADRN Cc1c(C(=O)NCCC(=O)N[C@@H]2CCS(=O)(=O)C2)sc2nc3n(c(=O)c12)CCCCC3 ZINC000479143766 1070125336 /nfs/dbraw/zinc/12/53/36/1070125336.db2.gz HKPIWGVVYKYEBC-CYBMUJFWSA-N 0 0 466.585 0.916 20 0 JCADRN Cc1c(C(=O)NCCC(=O)N[C@H]2CCS(=O)(=O)C2)sc2nc3n(c(=O)c12)CCCCC3 ZINC000479143767 1070126272 /nfs/dbraw/zinc/12/62/72/1070126272.db2.gz HKPIWGVVYKYEBC-ZDUSSCGKSA-N 0 0 466.585 0.916 20 0 JCADRN Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1C(=O)NCCC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000479144669 1070126279 /nfs/dbraw/zinc/12/62/79/1070126279.db2.gz KGHPYCILCZTCTL-DLBZAZTESA-N 0 0 485.628 0.981 20 0 JCADRN O=C(CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)NCCC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000479144671 1070126308 /nfs/dbraw/zinc/12/63/08/1070126308.db2.gz RQNRTEDIKHGWJS-GOSISDBHSA-N 0 0 485.628 0.603 20 0 JCADRN O=C(CCc1ccc(S(=O)(=O)N2CCCCC2)cc1)NCCC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000479144672 1070126363 /nfs/dbraw/zinc/12/63/63/1070126363.db2.gz RQNRTEDIKHGWJS-SFHVURJKSA-N 0 0 485.628 0.603 20 0 JCADRN Cc1ccc(C(=O)NCCC(=O)N[C@H]2CCS(=O)(=O)C2)cc1S(=O)(=O)N1CCCCC1 ZINC000479144689 1070126346 /nfs/dbraw/zinc/12/63/46/1070126346.db2.gz RVVKUYIZDIRPPT-KRWDZBQOSA-N 0 0 471.601 0.593 20 0 JCADRN Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1C(=O)NCCC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000479144690 1070126333 /nfs/dbraw/zinc/12/63/33/1070126333.db2.gz KGHPYCILCZTCTL-IAGOWNOFSA-N 0 0 485.628 0.981 20 0 JCADRN Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1C(=O)NCCC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000479144691 1070126351 /nfs/dbraw/zinc/12/63/51/1070126351.db2.gz KGHPYCILCZTCTL-IRXDYDNUSA-N 0 0 485.628 0.981 20 0 JCADRN Cc1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1C(=O)NCCC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000479144692 1070126314 /nfs/dbraw/zinc/12/63/14/1070126314.db2.gz KGHPYCILCZTCTL-SJORKVTESA-N 0 0 485.628 0.981 20 0 JCADRN Cc1ccc(C(=O)NCCC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1S(=O)(=O)N1CCCCC1 ZINC000479144698 1070126326 /nfs/dbraw/zinc/12/63/26/1070126326.db2.gz RVVKUYIZDIRPPT-QGZVFWFLSA-N 0 0 471.601 0.593 20 0 JCADRN Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCCC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)c(C)c1 ZINC000479145096 1070126320 /nfs/dbraw/zinc/12/63/20/1070126320.db2.gz SZGSFKYFVOUMCT-GOSISDBHSA-N 0 0 485.628 0.514 20 0 JCADRN Cc1ccc(S(=O)(=O)N2CCC(C(=O)NCCC(=O)N[C@H]3CCS(=O)(=O)C3)CC2)c(C)c1 ZINC000479145098 1070126392 /nfs/dbraw/zinc/12/63/92/1070126392.db2.gz SZGSFKYFVOUMCT-SFHVURJKSA-N 0 0 485.628 0.514 20 0 JCADRN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)NCCC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000479145139 1070126374 /nfs/dbraw/zinc/12/63/74/1070126374.db2.gz UIWSNJJCUGQXCN-INIZCTEOSA-N 0 0 471.601 0.593 20 0 JCADRN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)NCCC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000479145140 1070126357 /nfs/dbraw/zinc/12/63/57/1070126357.db2.gz UIWSNJJCUGQXCN-MRXNPFEDSA-N 0 0 471.601 0.593 20 0 JCADRN CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)NCCC(=O)N[C@H]2CCS(=O)(=O)C2)cc1 ZINC000479145327 1070126387 /nfs/dbraw/zinc/12/63/87/1070126387.db2.gz KZTJVAXAHZEGMJ-KRWDZBQOSA-N 0 0 479.580 0.935 20 0 JCADRN CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)NCCC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000479145329 1070126330 /nfs/dbraw/zinc/12/63/30/1070126330.db2.gz KZTJVAXAHZEGMJ-QGZVFWFLSA-N 0 0 479.580 0.935 20 0 JCADRN O=C(CCNC(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1)N[C@H]1CCS(=O)(=O)C1 ZINC000479145462 1070126367 /nfs/dbraw/zinc/12/63/67/1070126367.db2.gz VFZFLZSYMRYPNX-KRWDZBQOSA-N 0 0 471.601 0.675 20 0 JCADRN O=C(CCNC(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1)N[C@@H]1CCS(=O)(=O)C1 ZINC000479145464 1070126339 /nfs/dbraw/zinc/12/63/39/1070126339.db2.gz VFZFLZSYMRYPNX-QGZVFWFLSA-N 0 0 471.601 0.675 20 0 JCADRN O=C(CCNC(=O)c1ccc(S(=O)(=O)NCCc2cccs2)cc1)N[C@H]1CCS(=O)(=O)C1 ZINC000479145583 1070127105 /nfs/dbraw/zinc/12/71/05/1070127105.db2.gz WBUNOUWFHVAPGZ-INIZCTEOSA-N 0 0 499.636 0.692 20 0 JCADRN 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COC(=O)c1ccc(C=c2sc(=CC(=O)C3CC3)n(CC(=O)N3C[C@@H](C)O[C@@H](C)C3)c2=O)cc1 ZINC000502443938 1068355872 /nfs/dbraw/zinc/35/58/72/1068355872.db2.gz UJHMAICVBHIXRR-IYBDPMFKSA-N 0 0 484.574 0.921 20 0 JCADRN COc1cc(C=c2sc(=CC(=O)C3CC3)n(CC(=O)N3CCOCC3)c2=O)cc(OC)c1 ZINC000502444401 1068357393 /nfs/dbraw/zinc/35/73/93/1068357393.db2.gz PRWYGBXSBGXBQR-UHFFFAOYSA-N 0 0 458.536 0.374 20 0 JCADRN COC(=O)c1ccc(C=c2sc(=CC(=O)C3CC3)n(CC(=O)NCC(F)(F)F)c2=O)cc1 ZINC000502446171 1068355976 /nfs/dbraw/zinc/35/59/76/1068355976.db2.gz ONHJHTZHGQVSBR-UHFFFAOYSA-N 0 0 468.453 0.963 20 0 JCADRN O=C(Cn1c(=O)c(=Cc2ccc3c(c2)OCCO3)sc1=CC(=O)C1CC1)NCC(F)(F)F ZINC000502447398 1068356054 /nfs/dbraw/zinc/35/60/54/1068356054.db2.gz SOWQNWDTSOKMTN-UHFFFAOYSA-N 0 0 468.453 0.948 20 0 JCADRN CC(=O)Nc1ccc(C=c2sc(=CC(=O)C3CC3)n(CC(=O)N3CCOCC3)c2=O)cc1 ZINC000502447940 1068355797 /nfs/dbraw/zinc/35/57/97/1068355797.db2.gz ZJSDNFJJSKDMOT-UHFFFAOYSA-N 0 0 455.536 0.315 20 0 JCADRN COCCNS(=O)(=O)c1ccc(C(=O)NCC(=O)N2CCN(Cc3ccccc3)CC2)cc1 ZINC000502448999 1068355934 /nfs/dbraw/zinc/35/59/34/1068355934.db2.gz ZRRVITJWCCHEFS-UHFFFAOYSA-N 0 0 474.583 0.686 20 0 JCADRN CNS(=O)(=O)c1cccc(CNC(=O)NCc2ccc(S(=O)(=O)NCCOC)cc2)c1 ZINC000502451267 1068356418 /nfs/dbraw/zinc/35/64/18/1068356418.db2.gz FLQLGBJZKNQANG-UHFFFAOYSA-N 0 0 470.573 0.519 20 0 JCADRN CC1CCC2(CC1)NC(=O)N(CC(=O)NCC(=O)N1CCN(Cc3ccccc3)CC1)C2=O ZINC000502451726 1068356494 /nfs/dbraw/zinc/35/64/94/1068356494.db2.gz UODSIHMALUAGJW-UHFFFAOYSA-N 0 0 455.559 0.948 20 0 JCADRN O=C(Cn1c(=O)c(=Cc2ccc3c(c2)OCCO3)sc1=CC(=O)C1CC1)NC[C@@H]1CCCO1 ZINC000502453845 1068357282 /nfs/dbraw/zinc/35/72/82/1068357282.db2.gz FCJBSKRRELISRD-KRWDZBQOSA-N 0 0 470.547 0.565 20 0 JCADRN O=C(Cn1c(=O)c(=Cc2ccc3c(c2)OCCO3)sc1=CC(=O)C1CC1)NC[C@H]1CCCO1 ZINC000502453846 1068357343 /nfs/dbraw/zinc/35/73/43/1068357343.db2.gz FCJBSKRRELISRD-QGZVFWFLSA-N 0 0 470.547 0.565 20 0 JCADRN COc1cccc(C=c2sc(=CC(=O)C3CC3)n(CC(=O)NC[C@@H]3CCCO3)c2=O)c1OC ZINC000502458320 1068357140 /nfs/dbraw/zinc/35/71/40/1068357140.db2.gz UENJZTFUEHQRQC-KRWDZBQOSA-N 0 0 472.563 0.811 20 0 JCADRN COc1cccc(C=c2sc(=CC(=O)C3CC3)n(CC(=O)NC[C@H]3CCCO3)c2=O)c1OC ZINC000502458323 1068357351 /nfs/dbraw/zinc/35/73/51/1068357351.db2.gz UENJZTFUEHQRQC-QGZVFWFLSA-N 0 0 472.563 0.811 20 0 JCADRN CNS(=O)(=O)c1cccc(CNC(=O)N2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)c1 ZINC000502458964 1068357188 /nfs/dbraw/zinc/35/71/88/1068357188.db2.gz CIQACPBCHUYMCI-UHFFFAOYSA-N 0 0 467.573 0.274 20 0 JCADRN CC(C)N(C)S(=O)(=O)c1ccc(CNC(=O)c2cc(S(=O)(=O)N3CCOCC3)c[nH]2)cc1 ZINC000502461321 1068357123 /nfs/dbraw/zinc/35/71/23/1068357123.db2.gz YQVHNMSTWSRSAY-UHFFFAOYSA-N 0 0 484.600 0.995 20 0 JCADRN CNS(=O)(=O)c1cccc(CNC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)c1 ZINC000502463694 1068357245 /nfs/dbraw/zinc/35/72/45/1068357245.db2.gz QTKBDKPEIZAKHL-UHFFFAOYSA-N 0 0 468.557 0.937 20 0 JCADRN 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COc1cc(C=c2sc(=CC(=O)C3CC3)n(CC(=O)NC[C@H]3CCCO3)c2=O)cc(OC)c1 ZINC000502467699 1068357824 /nfs/dbraw/zinc/35/78/24/1068357824.db2.gz JDTFDVNLODOCHU-QGZVFWFLSA-N 0 0 472.563 0.811 20 0 JCADRN CC(=O)Nc1ccc(C=c2sc(=CC(=O)C3CC3)n(CC(=O)NC[C@@H]3CCCO3)c2=O)cc1 ZINC000502470172 1068357871 /nfs/dbraw/zinc/35/78/71/1068357871.db2.gz SHIJJQMZPONABK-IBGZPJMESA-N 0 0 469.563 0.752 20 0 JCADRN CC(=O)Nc1ccc(C=c2sc(=CC(=O)C3CC3)n(CC(=O)NC[C@H]3CCCO3)c2=O)cc1 ZINC000502470173 1068357917 /nfs/dbraw/zinc/35/79/17/1068357917.db2.gz SHIJJQMZPONABK-LJQANCHMSA-N 0 0 469.563 0.752 20 0 JCADRN COC(=O)c1ccc(C=c2sc(=CC(=O)C3CC3)n(CC(=O)NC[C@H]3CCCO3)c2=O)cc1 ZINC000502470186 1068357753 /nfs/dbraw/zinc/35/77/53/1068357753.db2.gz SNUSCSSXTMUIRL-GOSISDBHSA-N 0 0 470.547 0.580 20 0 JCADRN COC(=O)c1ccc(C=c2sc(=CC(=O)C3CC3)n(CC(=O)NC[C@@H]3CCCO3)c2=O)cc1 ZINC000502470187 1068357931 /nfs/dbraw/zinc/35/79/31/1068357931.db2.gz SNUSCSSXTMUIRL-SFHVURJKSA-N 0 0 470.547 0.580 20 0 JCADRN CC(C)N(C)S(=O)(=O)c1ccc(CNC(=O)[C@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)cc1 ZINC000502470395 1068357693 /nfs/dbraw/zinc/35/76/93/1068357693.db2.gz PTUGGTUERXDFFX-DLBZAZTESA-N 0 0 471.601 0.367 20 0 JCADRN CC(C)N(C)S(=O)(=O)c1ccc(CNC(=O)[C@@H]2CC(=O)N([C@@H]3CCS(=O)(=O)C3)C2)cc1 ZINC000502470396 1068357899 /nfs/dbraw/zinc/35/78/99/1068357899.db2.gz PTUGGTUERXDFFX-IAGOWNOFSA-N 0 0 471.601 0.367 20 0 JCADRN CC(C)N(C)S(=O)(=O)c1ccc(CNC(=O)[C@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)cc1 ZINC000502470397 1068357807 /nfs/dbraw/zinc/35/78/07/1068357807.db2.gz PTUGGTUERXDFFX-IRXDYDNUSA-N 0 0 471.601 0.367 20 0 JCADRN CC(C)N(C)S(=O)(=O)c1ccc(CNC(=O)[C@@H]2CC(=O)N([C@H]3CCS(=O)(=O)C3)C2)cc1 ZINC000502470398 1068357709 /nfs/dbraw/zinc/35/77/09/1068357709.db2.gz PTUGGTUERXDFFX-SJORKVTESA-N 0 0 471.601 0.367 20 0 JCADRN Cc1cc(C)n(-c2ccc(CCNC(=O)N3CCN(C(=O)C(=O)N4CCOCC4)CC3)cc2)n1 ZINC000502472508 1068357982 /nfs/dbraw/zinc/35/79/82/1068357982.db2.gz MYNHUYAXHIAIIH-UHFFFAOYSA-N 0 0 468.558 0.744 20 0 JCADRN COCCCNC(=O)Cn1c(=O)c(=Cc2ccc3c(c2)OCCO3)sc1=CC(=O)C1CC1 ZINC000502473237 1068358609 /nfs/dbraw/zinc/35/86/09/1068358609.db2.gz OKLXAZLGNOVAMR-UHFFFAOYSA-N 0 0 458.536 0.422 20 0 JCADRN COCCCNC(=O)Cn1c(=O)c(=Cc2ccc(NC(C)=O)cc2)sc1=CC(=O)C1CC1 ZINC000502473296 1068357308 /nfs/dbraw/zinc/35/73/08/1068357308.db2.gz PGMKBROCNXVPRP-UHFFFAOYSA-N 0 0 457.552 0.609 20 0 JCADRN COc1cc(C=c2sc(=CC(=O)C3CC3)n(CC(=O)N3CCOCC3)c2=O)ccc1OC(F)F ZINC000502473870 1068358573 /nfs/dbraw/zinc/35/85/73/1068358573.db2.gz AXYOLLSZSZUOEZ-UHFFFAOYSA-N 0 0 494.516 0.967 20 0 JCADRN Cc1nn(-c2ccc(F)cc2)cc1CNC(=O)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000502473978 1068358404 /nfs/dbraw/zinc/35/84/04/1068358404.db2.gz RUPNGIYPFZLWAS-UHFFFAOYSA-N 0 0 458.494 0.532 20 0 JCADRN O=C(C=c1sc(=Cc2ccc3c(c2)OCCO3)c(=O)n1CC(=O)N1CCOCC1)C1CC1 ZINC000502475851 1068358540 /nfs/dbraw/zinc/35/85/40/1068358540.db2.gz GZGYNSXIDLUPTD-UHFFFAOYSA-N 0 0 456.520 0.128 20 0 JCADRN CNS(=O)(=O)c1cccc(CNC(=O)N2CCN(CC(=O)N3C[C@H](C)C[C@H](C)C3)CC2)c1 ZINC000502478699 1068358387 /nfs/dbraw/zinc/35/83/87/1068358387.db2.gz WEMIAEDATUXCRM-HDICACEKSA-N 0 0 465.620 0.926 20 0 JCADRN CNS(=O)(=O)c1cccc(CNC(=O)N2CCN(CC(=O)N3C[C@H](C)C[C@@H](C)C3)CC2)c1 ZINC000502478700 1068358490 /nfs/dbraw/zinc/35/84/90/1068358490.db2.gz WEMIAEDATUXCRM-QZTJIDSGSA-N 0 0 465.620 0.926 20 0 JCADRN CNS(=O)(=O)c1cccc(CNC(=O)N2CCN(CC(=O)N3C[C@@H](C)C[C@H](C)C3)CC2)c1 ZINC000502478701 1068358318 /nfs/dbraw/zinc/35/83/18/1068358318.db2.gz WEMIAEDATUXCRM-ROUUACIJSA-N 0 0 465.620 0.926 20 0 JCADRN COc1cc(C=c2sc(=CC(=O)C3CC3)n(CC(=O)N3CCOCC3)c2=O)cc(OC)c1OC ZINC000502480052 1068358443 /nfs/dbraw/zinc/35/84/43/1068358443.db2.gz VUWBRMJRUZDFDH-UHFFFAOYSA-N 0 0 488.562 0.383 20 0 JCADRN CCOc1cc(C=c2sc(=CC(=O)C3CC3)n(CC(=O)N3CCOCC3)c2=O)ccc1OC ZINC000502480086 1068358597 /nfs/dbraw/zinc/35/85/97/1068358597.db2.gz WFUVXKHUGFOGMV-UHFFFAOYSA-N 0 0 472.563 0.764 20 0 JCADRN CNS(=O)(=O)c1cccc(CNC(=O)Nc2cc(S(=O)(=O)N3CCOCC3)ccc2OC)c1 ZINC000502481901 1068358458 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NC(=O)CNC(=O)c1cccc(NC(=O)c2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)c1 ZINC000513005901 1068187610 /nfs/dbraw/zinc/18/76/10/1068187610.db2.gz SICSUHOWLRPXGF-KRWDZBQOSA-N 0 0 460.512 0.611 20 0 JCADRN NC(=O)CNC(=O)c1cccc(NC(=O)c2ccc(S(=O)(=O)NC[C@H]3CCCO3)cc2)c1 ZINC000513005902 1068187375 /nfs/dbraw/zinc/18/73/75/1068187375.db2.gz SICSUHOWLRPXGF-QGZVFWFLSA-N 0 0 460.512 0.611 20 0 JCADRN Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1cccc(C(=O)NCC(N)=O)c1 ZINC000513006143 1068187607 /nfs/dbraw/zinc/18/76/07/1068187607.db2.gz UWPMPKQVXDHFOD-UHFFFAOYSA-N 0 0 460.512 0.483 20 0 JCADRN COc1ccc(CCN2C[C@@H](C(=O)Nc3cccc(C(=O)NCC(N)=O)c3)CC2=O)cc1OC ZINC000513006144 1068187480 /nfs/dbraw/zinc/18/74/80/1068187480.db2.gz UWSRVUYXJNSSJR-KRWDZBQOSA-N 0 0 468.510 0.949 20 0 JCADRN COc1ccc(CCN2C[C@H](C(=O)Nc3cccc(C(=O)NCC(N)=O)c3)CC2=O)cc1OC ZINC000513006145 1068187397 /nfs/dbraw/zinc/18/73/97/1068187397.db2.gz UWSRVUYXJNSSJR-QGZVFWFLSA-N 0 0 468.510 0.949 20 0 JCADRN CNS(=O)(=O)c1cc(NC(=O)C(=O)N2CCCN(S(=O)(=O)c3ccccc3)CC2)ccc1C ZINC000513006224 1068187501 /nfs/dbraw/zinc/18/75/01/1068187501.db2.gz VUBHXTGLWOYVOO-UHFFFAOYSA-N 0 0 494.595 0.765 20 0 JCADRN Cn1cc(CNC(=O)C(=O)Nc2ccc(CC(=O)N3CCN(c4ncccn4)CC3)cc2)cn1 ZINC000513006351 1068187437 /nfs/dbraw/zinc/18/74/37/1068187437.db2.gz XIXXAFFPIKRDIJ-UHFFFAOYSA-N 0 0 462.514 0.356 20 0 JCADRN O=C(CN1CCOCC1)Nc1ccc(NC(=O)C(=O)NC[C@H](O)COc2ccc(F)cc2)cc1 ZINC000513006443 1068187585 /nfs/dbraw/zinc/18/75/85/1068187585.db2.gz YDLISXQUVZMQOA-IBGZPJMESA-N 0 0 474.489 0.591 20 0 JCADRN O=C(CN1CCOCC1)Nc1ccc(NC(=O)C(=O)NC[C@@H](O)COc2ccc(F)cc2)cc1 ZINC000513006444 1068187491 /nfs/dbraw/zinc/18/74/91/1068187491.db2.gz YDLISXQUVZMQOA-LJQANCHMSA-N 0 0 474.489 0.591 20 0 JCADRN CN(CCc1ccc(F)cc1)C(=O)C(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000513006476 1068187355 /nfs/dbraw/zinc/18/73/55/1068187355.db2.gz YKVIJFXJJPWAIC-GOSISDBHSA-N 0 0 497.570 0.931 20 0 JCADRN CN(CCc1ccc(F)cc1)C(=O)C(=O)Nc1ccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)cc1 ZINC000513006477 1068187618 /nfs/dbraw/zinc/18/76/18/1068187618.db2.gz YKVIJFXJJPWAIC-SFHVURJKSA-N 0 0 497.570 0.931 20 0 JCADRN Cc1noc(C)c1S(=O)(=O)N1CCC[C@H](C(=O)Nc2cccc(C(=O)NCC(N)=O)c2)C1 ZINC000513010221 1068188053 /nfs/dbraw/zinc/18/80/53/1068188053.db2.gz FHDYPYDKWUNTIQ-HNNXBMFYSA-N 0 0 463.516 0.546 20 0 JCADRN Cc1noc(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)Nc2cccc(C(=O)NCC(N)=O)c2)C1 ZINC000513010222 1068188026 /nfs/dbraw/zinc/18/80/26/1068188026.db2.gz FHDYPYDKWUNTIQ-OAHLLOKOSA-N 0 0 463.516 0.546 20 0 JCADRN C[C@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)Nc1cccc(C(=O)NCC(N)=O)c1 ZINC000513010309 1068188123 /nfs/dbraw/zinc/18/81/23/1068188123.db2.gz GDCLQNPBGDAKKK-ZDUSSCGKSA-N 0 0 476.511 0.369 20 0 JCADRN CNC(=O)[C@@H]1CN(C(=O)C(=O)N2CCN(C(=O)c3cc(C)oc3C)CC2)c2ccccc2O1 ZINC000513010407 1068188049 /nfs/dbraw/zinc/18/80/49/1068188049.db2.gz GSNCSRDQGCMAHB-IBGZPJMESA-N 0 0 454.483 0.721 20 0 JCADRN CNC(=O)[C@H]1CN(C(=O)C(=O)N2CCN(C(=O)c3cc(C)oc3C)CC2)c2ccccc2O1 ZINC000513010408 1068187971 /nfs/dbraw/zinc/18/79/71/1068187971.db2.gz GSNCSRDQGCMAHB-LJQANCHMSA-N 0 0 454.483 0.721 20 0 JCADRN Cc1cccc(OC[C@@H](O)CNC(=O)C(=O)Nc2ccc(CC(=O)N3CCN(C)CC3)cc2)c1 ZINC000513010425 1068187998 /nfs/dbraw/zinc/18/79/98/1068187998.db2.gz GXOARWFGQZLYCA-NRFANRHFSA-N 0 0 468.554 0.806 20 0 JCADRN Cc1cccc(OC[C@H](O)CNC(=O)C(=O)Nc2ccc(CC(=O)N3CCN(C)CC3)cc2)c1 ZINC000513010426 1068188060 /nfs/dbraw/zinc/18/80/60/1068188060.db2.gz GXOARWFGQZLYCA-OAQYLSRUSA-N 0 0 468.554 0.806 20 0 JCADRN CN(C)C(=O)c1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3cccnc3)CC2)cc1Cl ZINC000513010475 1068188134 /nfs/dbraw/zinc/18/81/34/1068188134.db2.gz HKKJGKLQVSLXCM-UHFFFAOYSA-N 0 0 479.946 0.908 20 0 JCADRN Cc1cccc(OC[C@@H](O)CNC(=O)C(=O)Nc2ccc(C(=O)N3CCN(C)CC3)cc2)c1 ZINC000513010603 1068187594 /nfs/dbraw/zinc/18/75/94/1068187594.db2.gz IWGGTZGNCXPCAA-FQEVSTJZSA-N 0 0 454.527 0.877 20 0 JCADRN Cc1cccc(OC[C@H](O)CNC(=O)C(=O)Nc2ccc(C(=O)N3CCN(C)CC3)cc2)c1 ZINC000513010604 1068187455 /nfs/dbraw/zinc/18/74/55/1068187455.db2.gz IWGGTZGNCXPCAA-HXUWFJFHSA-N 0 0 454.527 0.877 20 0 JCADRN CC(C)[C@H](CNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCN(C)CC2)c1)N1CCOCC1 ZINC000513010652 1068187515 /nfs/dbraw/zinc/18/75/15/1068187515.db2.gz JKHCWPSIKSASGI-FQEVSTJZSA-N 0 0 481.619 0.034 20 0 JCADRN CC(C)[C@@H](CNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCN(C)CC2)c1)N1CCOCC1 ZINC000513010653 1068187557 /nfs/dbraw/zinc/18/75/57/1068187557.db2.gz JKHCWPSIKSASGI-HXUWFJFHSA-N 0 0 481.619 0.034 20 0 JCADRN Cc1noc(C)c1S(=O)(=O)N1CCC(C(=O)Nc2cccc(C(=O)NCC(N)=O)c2)CC1 ZINC000513010817 1068187332 /nfs/dbraw/zinc/18/73/32/1068187332.db2.gz KXPZSYPJVLIENJ-UHFFFAOYSA-N 0 0 463.516 0.546 20 0 JCADRN NC(=O)CNC(=O)c1cccc(NC(=O)c2sccc2S(=O)(=O)N2CCOCC2)c1 ZINC000513010937 1068187624 /nfs/dbraw/zinc/18/76/24/1068187624.db2.gz LZQQNTMEDSHDDD-UHFFFAOYSA-N 0 0 452.514 0.236 20 0 JCADRN COc1ccc(CC(=O)Nc2cccc(C(=O)NCC(N)=O)c2)cc1S(=O)(=O)N1CCOCC1 ZINC000513011426 1068188876 /nfs/dbraw/zinc/18/88/76/1068188876.db2.gz OLNILNAUHZJHNC-UHFFFAOYSA-N 0 0 490.538 0.112 20 0 JCADRN O=C(CN1CCN(C(=O)C(=O)Nc2cccc(N3CCS(=O)(=O)CC3)c2)CC1)N1CCCCC1 ZINC000513011621 1068188725 /nfs/dbraw/zinc/18/87/25/1068188725.db2.gz PLPZEADJZJMOMO-UHFFFAOYSA-N 0 0 491.614 0.017 20 0 JCADRN CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)Nc3cccc(C(=O)NCC(N)=O)c3)cc2)CC1 ZINC000513012120 1068189369 /nfs/dbraw/zinc/18/93/69/1068189369.db2.gz RFQJSQNVQARELM-UHFFFAOYSA-N 0 0 487.538 0.007 20 0 JCADRN CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)C(=O)NC[C@H](C)CO)c1 ZINC000513013012 1068189503 /nfs/dbraw/zinc/18/95/03/1068189503.db2.gz WADUUFWWZGZDFK-HNNXBMFYSA-N 0 0 456.565 0.237 20 0 JCADRN CCN(CC)S(=O)(=O)c1ccc(N2CCOCC2)c(NC(=O)C(=O)NC[C@@H](C)CO)c1 ZINC000513013013 1068189219 /nfs/dbraw/zinc/18/92/19/1068189219.db2.gz WADUUFWWZGZDFK-OAHLLOKOSA-N 0 0 456.565 0.237 20 0 JCADRN Cc1ccc(C(=O)NCCNC(=O)C(=O)Nc2cccc(N3CCS(=O)(=O)CC3)c2)cc1F ZINC000513013173 1068189354 /nfs/dbraw/zinc/18/93/54/1068189354.db2.gz WSULKYHTHCJFDE-UHFFFAOYSA-N 0 0 476.530 0.854 20 0 JCADRN NC(=O)CNC(=O)c1cccc(NC(=O)CCNS(=O)(=O)c2ccc3c(c2)OCCCO3)c1 ZINC000513013245 1068189240 /nfs/dbraw/zinc/18/92/40/1068189240.db2.gz XFNQQIVIAAHGKM-UHFFFAOYSA-N 0 0 476.511 0.370 20 0 JCADRN CC(C)NC(=O)CN1CCN(C(=O)C(=O)Nc2cccc(CS(=O)(=O)NC(C)(C)C)c2)CC1 ZINC000513016230 1068189394 /nfs/dbraw/zinc/18/93/94/1068189394.db2.gz BUFRZTKEFULQMJ-UHFFFAOYSA-N 0 0 481.619 0.512 20 0 JCADRN Cc1nc(CN2CCN(C(=O)C(=O)Nc3cccc(N4CCS(=O)(=O)CC4)c3)CC2)cs1 ZINC000513016444 1068189524 /nfs/dbraw/zinc/18/95/24/1068189524.db2.gz CYLCYFPODDANGX-UHFFFAOYSA-N 0 0 477.612 0.969 20 0 JCADRN NC(=O)CNC(=O)c1cccc(NC(=O)CCCNS(=O)(=O)c2ccc3c(c2)OCCCO3)c1 ZINC000513016897 1068189511 /nfs/dbraw/zinc/18/95/11/1068189511.db2.gz HFMGDCYYNKMWHT-UHFFFAOYSA-N 0 0 490.538 0.760 20 0 JCADRN COc1ccc(S(=O)(=O)N(C)CCCC(=O)Nc2cccc(C(=O)NCC(N)=O)c2)cc1 ZINC000513017914 1068189495 /nfs/dbraw/zinc/18/94/95/1068189495.db2.gz NPGYOGCYVGDPSF-UHFFFAOYSA-N 0 0 462.528 0.950 20 0 JCADRN NC(=O)CNC(=O)c1cccc(NC(=O)CN2C(=O)c3ccc(Br)cc3C2=O)c1 ZINC000513017920 1068189451 /nfs/dbraw/zinc/18/94/51/1068189451.db2.gz NRAPNGKPQAWHQD-UHFFFAOYSA-N 0 0 459.256 0.899 20 0 JCADRN NC(=O)CNC(=O)c1cccc(NC(=O)c2ccc3c(c2)C(=O)N(C[C@@H]2CCCO2)C3=O)c1 ZINC000513018579 1068188894 /nfs/dbraw/zinc/18/88/94/1068188894.db2.gz RLONIWRCECQCQJ-INIZCTEOSA-N 0 0 450.451 0.929 20 0 JCADRN NC(=O)CNC(=O)c1cccc(NC(=O)c2ccc3c(c2)C(=O)N(C[C@H]2CCCO2)C3=O)c1 ZINC000513018580 1068188830 /nfs/dbraw/zinc/18/88/30/1068188830.db2.gz RLONIWRCECQCQJ-MRXNPFEDSA-N 0 0 450.451 0.929 20 0 JCADRN C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3ccc(-c4csnn4)cc3)CC2)C[C@H](C)O1 ZINC000513023918 1068189323 /nfs/dbraw/zinc/18/93/23/1068189323.db2.gz NHZAKRVKOQJXAO-GASCZTMLSA-N 0 0 494.599 0.642 20 0 JCADRN C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3ccc(-c4csnn4)cc3)CC2)C[C@H](C)O1 ZINC000513023919 1068189468 /nfs/dbraw/zinc/18/94/68/1068189468.db2.gz NHZAKRVKOQJXAO-GJZGRUSLSA-N 0 0 494.599 0.642 20 0 JCADRN C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)C(=O)Nc3ccc(-c4csnn4)cc3)CC2)C[C@@H](C)O1 ZINC000513023920 1068189441 /nfs/dbraw/zinc/18/94/41/1068189441.db2.gz NHZAKRVKOQJXAO-HUUCEWRRSA-N 0 0 494.599 0.642 20 0 JCADRN CN1CCN(S(=O)(=O)c2cccc(NC(=O)C(=O)NCCC(=O)NC3CCCCC3)c2)CC1 ZINC000513024193 1068189995 /nfs/dbraw/zinc/18/99/95/1068189995.db2.gz QDJYDXRUZKCPGZ-UHFFFAOYSA-N 0 0 479.603 0.516 20 0 JCADRN CN1CCN(C(=O)c2ccc(NC(=O)C(=O)NCc3ccc(N4CCOCC4)nc3)cc2)CC1 ZINC000513024353 1068189931 /nfs/dbraw/zinc/18/99/31/1068189931.db2.gz RMLBRFANMZZPII-UHFFFAOYSA-N 0 0 466.542 0.561 20 0 JCADRN CC[C@@H](C)NC(=O)CN1CCN(C(=O)C(=O)Nc2ccc(C(=O)N3CCN(C)CC3)cc2)CC1 ZINC000513024471 1068189162 /nfs/dbraw/zinc/18/91/62/1068189162.db2.gz SSHGQNVTGQYRBY-GOSISDBHSA-N 0 0 472.590 0.072 20 0 JCADRN 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/nfs/dbraw/zinc/17/63/62/1069176362.db2.gz KFHRUFWDEOYEGP-NSHDSACASA-N 0 0 470.313 0.687 20 0 JCADRN Cn1c(C(=O)NCc2cccc(C(=O)NC[C@@H]3CCCO3)c2)cc2c1n(C)c(=O)n(C)c2=O ZINC000517997020 1069176249 /nfs/dbraw/zinc/17/62/49/1069176249.db2.gz SSSMELXPMRKGMC-INIZCTEOSA-N 0 0 453.499 0.415 20 0 JCADRN Cn1c(C(=O)NCc2cccc(C(=O)NC[C@H]3CCCO3)c2)cc2c1n(C)c(=O)n(C)c2=O ZINC000517997021 1069176354 /nfs/dbraw/zinc/17/63/54/1069176354.db2.gz SSSMELXPMRKGMC-MRXNPFEDSA-N 0 0 453.499 0.415 20 0 JCADRN COc1ccccc1C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000517999928 1069176216 /nfs/dbraw/zinc/17/62/16/1069176216.db2.gz MDGQXPJUBFJHQH-HKUYNNGSSA-N 0 0 481.571 0.078 20 0 JCADRN COc1ccccc1C(=O)N[C@H](CCS(C)(=O)=O)C(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000517999929 1069176206 /nfs/dbraw/zinc/17/62/06/1069176206.db2.gz MDGQXPJUBFJHQH-IEBWSBKVSA-N 0 0 481.571 0.078 20 0 JCADRN COc1ccccc1C(=O)N[C@H](CCS(C)(=O)=O)C(=O)N1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000517999930 1069176346 /nfs/dbraw/zinc/17/63/46/1069176346.db2.gz MDGQXPJUBFJHQH-MJGOQNOKSA-N 0 0 481.571 0.078 20 0 JCADRN COc1ccccc1C(=O)N[C@@H](CCS(C)(=O)=O)C(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000517999931 1069176401 /nfs/dbraw/zinc/17/64/01/1069176401.db2.gz MDGQXPJUBFJHQH-PKOBYXMFSA-N 0 0 481.571 0.078 20 0 JCADRN Cn1cc(S(=O)(=O)NCCCN2CCN(c3ccccc3Cl)CC2)c(=O)n(C)c1=O ZINC000518002168 1069176301 /nfs/dbraw/zinc/17/63/01/1069176301.db2.gz MLTPSSWDUBLRNB-UHFFFAOYSA-N 0 0 455.968 0.228 20 0 JCADRN CN(C)C(=O)CN(C)C(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1 ZINC000518005207 1069175498 /nfs/dbraw/zinc/17/54/98/1069175498.db2.gz YBIYCCMTNNUUET-UHFFFAOYSA-N 0 0 452.577 0.858 20 0 JCADRN CCNC(=O)Cn1c(=O)c(=Cc2ccc(OCc3noc(C)n3)cc2)sc1=CC(=O)C1CC1 ZINC000518013001 1069177043 /nfs/dbraw/zinc/17/70/43/1069177043.db2.gz CFQOLHBPSYZQPL-UHFFFAOYSA-N 0 0 468.535 0.905 20 0 JCADRN O=C(CN1CCN(C(=O)c2cc(S(=O)(=O)Nc3ccccc3F)c[nH]2)CC1)N1CCOCC1 ZINC000518016513 1069176966 /nfs/dbraw/zinc/17/69/66/1069176966.db2.gz COPNFCPCFFLPMH-UHFFFAOYSA-N 0 0 479.534 0.571 20 0 JCADRN O=C(CN1CCN(C(=O)CN2C(=O)COc3cc(Br)ccc32)CC1)N1CCOCC1 ZINC000518016714 1069177086 /nfs/dbraw/zinc/17/70/86/1069177086.db2.gz HMMPSSYTLNMROM-UHFFFAOYSA-N 0 0 481.347 0.178 20 0 JCADRN COc1cccc(OC)c1OC[C@@H](O)Cn1nnc(CCN2C(=O)c3ccccc3C2=O)n1 ZINC000518017196 1069177919 /nfs/dbraw/zinc/17/79/19/1069177919.db2.gz UBTGCOCFJWRWCM-AWEZNQCLSA-N 0 0 453.455 0.969 20 0 JCADRN COc1cccc(OC)c1OC[C@H](O)Cn1nnc(CCN2C(=O)c3ccccc3C2=O)n1 ZINC000518017197 1069177654 /nfs/dbraw/zinc/17/76/54/1069177654.db2.gz UBTGCOCFJWRWCM-CQSZACIVSA-N 0 0 453.455 0.969 20 0 JCADRN CC(C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000518017272 1069177726 /nfs/dbraw/zinc/17/77/26/1069177726.db2.gz ZMUFHFOLYFGYOL-JOCHJYFZSA-N 0 0 469.586 0.854 20 0 JCADRN CC(C)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N1CCN(CC(=O)N2CCOCC2)CC1 ZINC000518017273 1069177677 /nfs/dbraw/zinc/17/76/77/1069177677.db2.gz ZMUFHFOLYFGYOL-QFIPXVFZSA-N 0 0 469.586 0.854 20 0 JCADRN COc1cc(C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)ccc1OCC(=O)NC(C)C ZINC000518017278 1069177749 /nfs/dbraw/zinc/17/77/49/1069177749.db2.gz ADHIWEQTGLMHFC-UHFFFAOYSA-N 0 0 462.547 0.215 20 0 JCADRN O=C(CN1CCN(C(=O)[C@H]2CCN(c3cccc(Br)c3)C2=O)CC1)N1CCOCC1 ZINC000518017305 1069177827 /nfs/dbraw/zinc/17/78/27/1069177827.db2.gz CYIPRKGGDREZBO-GOSISDBHSA-N 0 0 479.375 0.805 20 0 JCADRN O=C(CN1CCN(C(=O)[C@@H]2CCN(c3cccc(Br)c3)C2=O)CC1)N1CCOCC1 ZINC000518017306 1069177836 /nfs/dbraw/zinc/17/78/36/1069177836.db2.gz CYIPRKGGDREZBO-SFHVURJKSA-N 0 0 479.375 0.805 20 0 JCADRN CC(C)Cn1c(=O)[nH]c(=O)c2c(C(=O)N3CCN(CC(=O)N4CCOCC4)CC3)cc(C3CC3)nc21 ZINC000518017603 1069177757 /nfs/dbraw/zinc/17/77/57/1069177757.db2.gz UVKUJYOGUZIQIL-UHFFFAOYSA-N 0 0 498.584 0.647 20 0 JCADRN Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)s1 ZINC000518017609 1069177847 /nfs/dbraw/zinc/17/78/47/1069177847.db2.gz VQBUTKALJVAKRL-CVEARBPZSA-N 0 0 461.631 0.541 20 0 JCADRN Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)s1 ZINC000518017613 1069177012 /nfs/dbraw/zinc/17/70/12/1069177012.db2.gz VQBUTKALJVAKRL-HOTGVXAUSA-N 0 0 461.631 0.541 20 0 JCADRN Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)s1 ZINC000518017615 1069176949 /nfs/dbraw/zinc/17/69/49/1069176949.db2.gz VQBUTKALJVAKRL-HZPDHXFCSA-N 0 0 461.631 0.541 20 0 JCADRN Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)s1 ZINC000518017617 1069177000 /nfs/dbraw/zinc/17/70/00/1069177000.db2.gz VQBUTKALJVAKRL-JKSUJKDBSA-N 0 0 461.631 0.541 20 0 JCADRN CN(Cc1nccn1C)C(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000518017726 1069176847 /nfs/dbraw/zinc/17/68/47/1069176847.db2.gz NDGLDDJFIWNKLE-HNNXBMFYSA-N 0 0 462.981 0.814 20 0 JCADRN CN(Cc1nccn1C)C(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccc(Cl)cc1 ZINC000518017727 1069176866 /nfs/dbraw/zinc/17/68/66/1069176866.db2.gz NDGLDDJFIWNKLE-OAHLLOKOSA-N 0 0 462.981 0.814 20 0 JCADRN COc1ccc(C(=O)N2CCC[C@H]2C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)c(OC)c1 ZINC000518017736 1069177077 /nfs/dbraw/zinc/17/70/77/1069177077.db2.gz YNLLVOISHJOPKA-FQEVSTJZSA-N 0 0 474.558 0.311 20 0 JCADRN COc1ccc(C(=O)N2CCC[C@@H]2C(=O)N2CCN(CC(=O)N3CCOCC3)CC2)c(OC)c1 ZINC000518017743 1069176873 /nfs/dbraw/zinc/17/68/73/1069176873.db2.gz YNLLVOISHJOPKA-HXUWFJFHSA-N 0 0 474.558 0.311 20 0 JCADRN CSCC[C@H](NS(=O)(=O)c1ccccc1)C(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000518017842 1069177102 /nfs/dbraw/zinc/17/71/02/1069177102.db2.gz YTCDVXVOICUBGQ-AEFFLSMTSA-N 0 0 475.658 0.418 20 0 JCADRN CSCC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000518017843 1069177603 /nfs/dbraw/zinc/17/76/03/1069177603.db2.gz YTCDVXVOICUBGQ-FUHWJXTLSA-N 0 0 475.658 0.418 20 0 JCADRN CSCC[C@@H](NS(=O)(=O)c1ccccc1)C(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000518017844 1069177928 /nfs/dbraw/zinc/17/79/28/1069177928.db2.gz YTCDVXVOICUBGQ-SJLPKXTDSA-N 0 0 475.658 0.418 20 0 JCADRN CSCC[C@H](NS(=O)(=O)c1ccccc1)C(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000518017845 1069177805 /nfs/dbraw/zinc/17/78/05/1069177805.db2.gz YTCDVXVOICUBGQ-WMZOPIPTSA-N 0 0 475.658 0.418 20 0 JCADRN COC(=O)Cc1cc(=O)n(-c2ccc(C(=O)NCc3ccc(N4CC[NH+](C)CC4)nc3)cc2)[n-]1 ZINC000518022429 1069177621 /nfs/dbraw/zinc/17/76/21/1069177621.db2.gz LCTJASMUULQIHD-UHFFFAOYSA-N 0 0 464.526 0.958 20 0 JCADRN C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)CS(=O)(=O)CC(=O)Nc1cccc(Br)c1 ZINC000518025737 1069178489 /nfs/dbraw/zinc/17/84/89/1069178489.db2.gz YFDOEGMMBYKRTE-NEPJUHHUSA-N 0 0 460.350 0.915 20 0 JCADRN C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)CS(=O)(=O)CC(=O)Nc1cccc(Br)c1 ZINC000518025741 1069178617 /nfs/dbraw/zinc/17/86/17/1069178617.db2.gz YFDOEGMMBYKRTE-NWDGAFQWSA-N 0 0 460.350 0.915 20 0 JCADRN C[C@H]1CC[C@H](C(N)=O)CN1C(=O)CS(=O)(=O)CC(=O)Nc1cccc(Br)c1 ZINC000518025742 1069178564 /nfs/dbraw/zinc/17/85/64/1069178564.db2.gz YFDOEGMMBYKRTE-RYUDHWBXSA-N 0 0 460.350 0.915 20 0 JCADRN C[C@@H]1CC[C@@H](C(N)=O)CN1C(=O)CS(=O)(=O)CC(=O)Nc1cccc(Br)c1 ZINC000518025743 1069178579 /nfs/dbraw/zinc/17/85/79/1069178579.db2.gz YFDOEGMMBYKRTE-VXGBXAGGSA-N 0 0 460.350 0.915 20 0 JCADRN CCNC(=O)CN1CCN(C(=O)c2cc(S(=O)(=O)N(C)C)ccc2N2CCCC2)CC1 ZINC000518026251 1069178629 /nfs/dbraw/zinc/17/86/29/1069178629.db2.gz MTPYFNCYKLRZCJ-UHFFFAOYSA-N 0 0 451.593 0.431 20 0 JCADRN CCNC(=O)CN1CCCN(C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c2ccc(Cl)cc2)CC1 ZINC000518026541 1069178307 /nfs/dbraw/zinc/17/83/07/1069178307.db2.gz SIXXDIPWXZWOFR-GOSISDBHSA-N 0 0 487.022 0.544 20 0 JCADRN CCNC(=O)CN1CCCN(C(=O)[C@H](CCS(C)(=O)=O)NC(=O)c2ccc(Cl)cc2)CC1 ZINC000518026542 1069178406 /nfs/dbraw/zinc/17/84/06/1069178406.db2.gz SIXXDIPWXZWOFR-SFHVURJKSA-N 0 0 487.022 0.544 20 0 JCADRN CCNC(=O)CN1CCN(C(=O)[C@H](CCS(C)(=O)=O)NC(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000518027455 1069178553 /nfs/dbraw/zinc/17/85/53/1069178553.db2.gz NLWXITLLBFPGGT-FQEVSTJZSA-N 0 0 494.658 0.798 20 0 JCADRN CCNC(=O)CN1CCN(C(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c2ccc(C(C)(C)C)cc2)CC1 ZINC000518027456 1069178416 /nfs/dbraw/zinc/17/84/16/1069178416.db2.gz NLWXITLLBFPGGT-HXUWFJFHSA-N 0 0 494.658 0.798 20 0 JCADRN O=C(c1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCCC1)N1CCN(CCO)CC1 ZINC000518027962 1069178343 /nfs/dbraw/zinc/17/83/43/1069178343.db2.gz YAZRNXYNDGGZMP-UHFFFAOYSA-N 0 0 466.604 0.448 20 0 JCADRN COCCNC(=O)CN1CCN(C(=O)CCc2nc(C3(NC(C)=O)CCCCCC3)no2)CC1 ZINC000518028492 1069178319 /nfs/dbraw/zinc/17/83/19/1069178319.db2.gz AKHQQZYMAKUOTO-UHFFFAOYSA-N 0 0 478.594 0.595 20 0 JCADRN COCCNC(=O)CN1CCN(C(=O)CN2C(=O)COc3cc(Br)ccc32)CC1 ZINC000518028748 1069178473 /nfs/dbraw/zinc/17/84/73/1069178473.db2.gz JQXBIMFZQOCULJ-UHFFFAOYSA-N 0 0 469.336 0.081 20 0 JCADRN COCCNC(=O)CN1CCN(C(=O)CS(=O)(=O)Cc2ccc(Br)cc2)CC1 ZINC000518028780 1069178446 /nfs/dbraw/zinc/17/84/46/1069178446.db2.gz PMYPFCZHHCNBDL-UHFFFAOYSA-N 0 0 476.393 0.271 20 0 JCADRN COCCNC(=O)CN1CCN(C(=O)[C@H]2CC(=O)N(c3ccccc3Br)C2)CC1 ZINC000518029011 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ZINC000524039468 1069814772 /nfs/dbraw/zinc/81/47/72/1069814772.db2.gz AULWAHIKHUPUQA-CVEARBPZSA-N 0 0 453.952 0.904 20 0 JCADRN Cc1nc2n(n1)C[C@@H](NC(=O)[C@H](CCS(C)(=O)=O)NC(=O)c1ccc(Cl)cc1)CC2 ZINC000524039469 1069814753 /nfs/dbraw/zinc/81/47/53/1069814753.db2.gz AULWAHIKHUPUQA-HOTGVXAUSA-N 0 0 453.952 0.904 20 0 JCADRN Cc1nc2n(n1)C[C@H](NC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c1ccc(Cl)cc1)CC2 ZINC000524039470 1069814619 /nfs/dbraw/zinc/81/46/19/1069814619.db2.gz AULWAHIKHUPUQA-HZPDHXFCSA-N 0 0 453.952 0.904 20 0 JCADRN Cc1nc2n(n1)C[C@@H](NC(=O)[C@@H](CCS(C)(=O)=O)NC(=O)c1ccc(Cl)cc1)CC2 ZINC000524039471 1069814973 /nfs/dbraw/zinc/81/49/73/1069814973.db2.gz AULWAHIKHUPUQA-JKSUJKDBSA-N 0 0 453.952 0.904 20 0 JCADRN CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N[C@H]2CCc3nc(C)nn3C2)o1 ZINC000524039873 1069814543 /nfs/dbraw/zinc/81/45/43/1069814543.db2.gz WPIYRSBUZGSABC-KBPBESRZSA-N 0 0 451.505 0.641 20 0 JCADRN CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N[C@@H]2CCc3nc(C)nn3C2)o1 ZINC000524039874 1069814931 /nfs/dbraw/zinc/81/49/31/1069814931.db2.gz WPIYRSBUZGSABC-KGLIPLIRSA-N 0 0 451.505 0.641 20 0 JCADRN CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N[C@H]2CCc3nc(C)nn3C2)o1 ZINC000524039875 1069815031 /nfs/dbraw/zinc/81/50/31/1069815031.db2.gz WPIYRSBUZGSABC-UONOGXRCSA-N 0 0 451.505 0.641 20 0 JCADRN CCOC(=O)c1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N[C@@H]2CCc3nc(C)nn3C2)o1 ZINC000524039876 1069815014 /nfs/dbraw/zinc/81/50/14/1069815014.db2.gz WPIYRSBUZGSABC-ZIAGYGMSSA-N 0 0 451.505 0.641 20 0 JCADRN COCCn1cnc2c1c(=O)n(CC(=O)N[C@@H]1CCc3nc(C)nn3C1)c(=O)n2Cc1ccccc1 ZINC000524041636 1069815230 /nfs/dbraw/zinc/81/52/30/1069815230.db2.gz OKTZQDXQTSDVAZ-GOSISDBHSA-N 0 0 492.540 0.086 20 0 JCADRN COCCn1cnc2c1c(=O)n(CC(=O)N[C@H]1CCc3nc(C)nn3C1)c(=O)n2Cc1ccccc1 ZINC000524041637 1069815294 /nfs/dbraw/zinc/81/52/94/1069815294.db2.gz OKTZQDXQTSDVAZ-SFHVURJKSA-N 0 0 492.540 0.086 20 0 JCADRN CN(Cc1cnn(C)c1)C(=O)CS(=O)(=O)Cc1cc(=O)n2cc(Br)ccc2n1 ZINC000524043919 1069813972 /nfs/dbraw/zinc/81/39/72/1069813972.db2.gz APJKEOBYPGZZOD-UHFFFAOYSA-N 0 0 468.333 0.764 20 0 JCADRN CC[C@](C)(O)CNC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1 ZINC000524043953 1069814102 /nfs/dbraw/zinc/81/41/02/1069814102.db2.gz CIXCGYINLRFYEF-FQEVSTJZSA-N 0 0 456.565 0.827 20 0 JCADRN CC[C@@](C)(O)CNC(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCOCC1 ZINC000524043954 1069813800 /nfs/dbraw/zinc/81/38/00/1069813800.db2.gz CIXCGYINLRFYEF-HXUWFJFHSA-N 0 0 456.565 0.827 20 0 JCADRN CSc1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CC(=O)N4)CC2)cn1 ZINC000524048586 1069816101 /nfs/dbraw/zinc/81/61/01/1069816101.db2.gz SEBIIJNNRSCMES-UHFFFAOYSA-N 0 0 475.552 0.770 20 0 JCADRN COc1ccc(NC(=O)C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)c(Br)c1 ZINC000524048603 1069816429 /nfs/dbraw/zinc/81/64/29/1069816429.db2.gz SMUIFYDIICEZKJ-UHFFFAOYSA-N 0 0 453.293 0.346 20 0 JCADRN CCn1c(SCC(=O)N2CCN(C(=O)Cn3cnnn3)CC2)nnc1-c1cccc(C)c1 ZINC000524051068 1069816405 /nfs/dbraw/zinc/81/64/05/1069816405.db2.gz LPIDANPMNVFDFH-UHFFFAOYSA-N 0 0 455.548 0.723 20 0 JCADRN Cc1ccc(C(=O)N2CCC(NC(=O)CCn3cnc4c3c(=O)n(C)c(=O)n4C)CC2)cc1 ZINC000524051764 1069816308 /nfs/dbraw/zinc/81/63/08/1069816308.db2.gz ZGQWMXVKBRCTBO-UHFFFAOYSA-N 0 0 452.515 0.553 20 0 JCADRN CC(C)(C(=O)N1CCN(C(=O)Cn2cnnn2)CC1)S(=O)(=O)c1ccc(Br)cc1 ZINC000524052338 1069815968 /nfs/dbraw/zinc/81/59/68/1069815968.db2.gz GZDTYPULPRJQES-UHFFFAOYSA-N 0 0 485.364 0.359 20 0 JCADRN COc1ccc(-n2c(C)nnc2SCC(=O)N2CCN(C(=O)Cn3cnnn3)CC2)cc1 ZINC000524052596 1069816055 /nfs/dbraw/zinc/81/60/55/1069816055.db2.gz ONNNPVNZNQBDRR-UHFFFAOYSA-N 0 0 457.520 0.034 20 0 JCADRN C[C@H]1Oc2ccc(C(=O)C3CCN(C(=O)CNS(=O)(=O)c4cnn(C)c4)CC3)cc2NC1=O ZINC000524052641 1069816119 /nfs/dbraw/zinc/81/61/19/1069816119.db2.gz QHRFWJWKPOZCHW-CYBMUJFWSA-N 0 0 475.527 0.539 20 0 JCADRN C[C@@H]1Oc2ccc(C(=O)C3CCN(C(=O)CNS(=O)(=O)c4cnn(C)c4)CC3)cc2NC1=O ZINC000524052642 1069816029 /nfs/dbraw/zinc/81/60/29/1069816029.db2.gz QHRFWJWKPOZCHW-ZDUSSCGKSA-N 0 0 475.527 0.539 20 0 JCADRN Cc1ccc(C(=O)NCC(=O)N(C)CCc2ccccn2)cc1S(=O)(=O)N1CCOCC1 ZINC000524057715 1069816266 /nfs/dbraw/zinc/81/62/66/1069816266.db2.gz BHKYXUDZXVYMMC-UHFFFAOYSA-N 0 0 460.556 0.842 20 0 JCADRN CC(C)[C@H](NC(=O)c1ccccn1)C(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC000524060578 1069815577 /nfs/dbraw/zinc/81/55/77/1069815577.db2.gz RPABBUXNIPSZOO-FQEVSTJZSA-N 0 0 474.587 0.499 20 0 JCADRN CC(C)[C@@H](NC(=O)c1ccccn1)C(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC000524060579 1069815742 /nfs/dbraw/zinc/81/57/42/1069815742.db2.gz RPABBUXNIPSZOO-HXUWFJFHSA-N 0 0 474.587 0.499 20 0 JCADRN C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)Cc3csc(-c4cnccn4)n3)CC2)C[C@H](C)O1 ZINC000524062701 1069815523 /nfs/dbraw/zinc/81/55/23/1069815523.db2.gz URMFVVMNLPLKRL-GASCZTMLSA-N 0 0 466.589 0.641 20 0 JCADRN C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)Cc3csc(-c4cnccn4)n3)CC2)C[C@H](C)O1 ZINC000524062702 1069815771 /nfs/dbraw/zinc/81/57/71/1069815771.db2.gz URMFVVMNLPLKRL-GJZGRUSLSA-N 0 0 466.589 0.641 20 0 JCADRN C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)Cc3csc(-c4cnccn4)n3)CC2)C[C@@H](C)O1 ZINC000524062703 1069815635 /nfs/dbraw/zinc/81/56/35/1069815635.db2.gz URMFVVMNLPLKRL-HUUCEWRRSA-N 0 0 466.589 0.641 20 0 JCADRN CC(C)[C@H](NC(=O)c1ccccn1)C(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 ZINC000524062975 1069815417 /nfs/dbraw/zinc/81/54/17/1069815417.db2.gz AZORCAZCOGGTIE-KRWDZBQOSA-N 0 0 463.516 0.061 20 0 JCADRN CC(C)[C@@H](NC(=O)c1ccccn1)C(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 ZINC000524062976 1069815373 /nfs/dbraw/zinc/81/53/73/1069815373.db2.gz AZORCAZCOGGTIE-QGZVFWFLSA-N 0 0 463.516 0.061 20 0 JCADRN CC(C)[C@H](NC(=O)c1ccccn1)C(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000524063491 1069815396 /nfs/dbraw/zinc/81/53/96/1069815396.db2.gz OVUOOZJDMNKINW-LMMKCTJWSA-N 0 0 467.592 0.334 20 0 JCADRN CC(C)[C@H](NC(=O)c1ccccn1)C(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000524063492 1069815266 /nfs/dbraw/zinc/81/52/66/1069815266.db2.gz OVUOOZJDMNKINW-SCTDSRPQSA-N 0 0 467.592 0.334 20 0 JCADRN CC(C)[C@@H](NC(=O)c1ccccn1)C(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000524063493 1069815445 /nfs/dbraw/zinc/81/54/45/1069815445.db2.gz OVUOOZJDMNKINW-ZHALLVOQSA-N 0 0 467.592 0.334 20 0 JCADRN CC(C)[C@@H](NC(=O)c1ccccn1)C(=O)N1CCN(S(=O)(=O)N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000524063494 1069815708 /nfs/dbraw/zinc/81/57/08/1069815708.db2.gz OVUOOZJDMNKINW-ZIFCJYIRSA-N 0 0 467.592 0.334 20 0 JCADRN CNS(=O)(=O)c1cccc([C@H](C)NC(=O)C2CCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)c1 ZINC000524064896 1069815726 /nfs/dbraw/zinc/81/57/26/1069815726.db2.gz CLZUNEBFFXVILA-AWEZNQCLSA-N 0 0 483.616 0.915 20 0 JCADRN CNS(=O)(=O)c1cccc([C@@H](C)NC(=O)C2CCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)c1 ZINC000524064897 1069815554 /nfs/dbraw/zinc/81/55/54/1069815554.db2.gz CLZUNEBFFXVILA-CQSZACIVSA-N 0 0 483.616 0.915 20 0 JCADRN CN(CCc1ccccn1)C(=O)CNC(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 ZINC000524067912 1069815688 /nfs/dbraw/zinc/81/56/88/1069815688.db2.gz JFOBRSKMMPWDLJ-UHFFFAOYSA-N 0 0 452.515 0.154 20 0 JCADRN COc1ccc(CNC(=O)CNC(=O)C(=O)Nc2cc(F)c(S(C)(=O)=O)c(F)c2)cc1 ZINC000524072400 1069817125 /nfs/dbraw/zinc/81/71/25/1069817125.db2.gz FDPKHEOCACREGM-UHFFFAOYSA-N 0 0 455.439 0.748 20 0 JCADRN CS(=O)(=O)c1c(F)cc(NC(=O)C(=O)NC[C@@H](O)COc2ccc3c(c2)OCO3)cc1F ZINC000524072801 1069816664 /nfs/dbraw/zinc/81/66/64/1069816664.db2.gz OXBUAABLEIPKBR-LLVKDONJSA-N 0 0 472.422 0.592 20 0 JCADRN CS(=O)(=O)c1c(F)cc(NC(=O)C(=O)NC[C@H](O)COc2ccc3c(c2)OCO3)cc1F ZINC000524072802 1069817022 /nfs/dbraw/zinc/81/70/22/1069817022.db2.gz OXBUAABLEIPKBR-NSHDSACASA-N 0 0 472.422 0.592 20 0 JCADRN CNS(=O)(=O)c1cccc([C@H](C)NC(=O)C(=O)Nc2cccc(OCC(=O)N(C)C)c2)c1 ZINC000524073343 1069817534 /nfs/dbraw/zinc/81/75/34/1069817534.db2.gz HYSXQXDMAWARPS-AWEZNQCLSA-N 0 0 462.528 0.878 20 0 JCADRN CNS(=O)(=O)c1cccc([C@@H](C)NC(=O)C(=O)Nc2cccc(OCC(=O)N(C)C)c2)c1 ZINC000524073344 1069817650 /nfs/dbraw/zinc/81/76/50/1069817650.db2.gz HYSXQXDMAWARPS-CQSZACIVSA-N 0 0 462.528 0.878 20 0 JCADRN CS(=O)(=O)c1c(F)cc(NC(=O)C(=O)N2CCN(C(=O)c3cccc(O)c3)CC2)cc1F ZINC000524073380 1069817620 /nfs/dbraw/zinc/81/76/20/1069817620.db2.gz IZNUONUCTSNMPQ-UHFFFAOYSA-N 0 0 467.450 0.997 20 0 JCADRN Cc1cc(C(=O)NC2CCN(C(=O)C(=O)Nc3cnc4c(c3)c(=O)n(C)c(=O)n4C)CC2)c(C)o1 ZINC000524073410 1069817839 /nfs/dbraw/zinc/81/78/39/1069817839.db2.gz KELOUNJOECDXOA-UHFFFAOYSA-N 0 0 482.497 0.202 20 0 JCADRN CCn1nc(C)c(CNC(=O)C(=O)Nc2cc(S(=O)(=O)N3CCN(C)CC3)ccc2OC)c1C ZINC000524073458 1069817741 /nfs/dbraw/zinc/81/77/41/1069817741.db2.gz LSTBYFOBTBDPSF-UHFFFAOYSA-N 0 0 492.602 0.719 20 0 JCADRN C[C@@H](NC(=O)C(=O)Nc1ccc(S(C)(=O)=O)nc1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000524073659 1069816745 /nfs/dbraw/zinc/81/67/45/1069816745.db2.gz UTELZSVXBKSRCQ-GFCCVEGCSA-N 0 0 454.530 0.551 20 0 JCADRN C[C@H](NC(=O)C(=O)Nc1ccc(S(C)(=O)=O)nc1)c1cccc(S(=O)(=O)N(C)C)c1 ZINC000524073660 1069817078 /nfs/dbraw/zinc/81/70/78/1069817078.db2.gz UTELZSVXBKSRCQ-LBPRGKRZSA-N 0 0 454.530 0.551 20 0 JCADRN CS(=O)(=O)c1c(F)cc(NC(=O)C(=O)NC[C@]2(N3CCOCC3)CCSC2)cc1F ZINC000524074331 1069817768 /nfs/dbraw/zinc/81/77/68/1069817768.db2.gz BXMDALRKDVZGAJ-GOSISDBHSA-N 0 0 463.528 0.631 20 0 JCADRN CS(=O)(=O)c1c(F)cc(NC(=O)C(=O)NC[C@@]2(N3CCOCC3)CCSC2)cc1F ZINC000524074332 1069817314 /nfs/dbraw/zinc/81/73/14/1069817314.db2.gz BXMDALRKDVZGAJ-SFHVURJKSA-N 0 0 463.528 0.631 20 0 JCADRN CNS(=O)(=O)c1cccc([C@@H](C)NC(=O)C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)c1 ZINC000524074458 1069817380 /nfs/dbraw/zinc/81/73/80/1069817380.db2.gz HNMAUWLSMWHKKE-CYBMUJFWSA-N 0 0 468.557 0.661 20 0 JCADRN CNS(=O)(=O)c1cccc([C@H](C)NC(=O)C(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)c1 ZINC000524074459 1069817800 /nfs/dbraw/zinc/81/78/00/1069817800.db2.gz HNMAUWLSMWHKKE-ZDUSSCGKSA-N 0 0 468.557 0.661 20 0 JCADRN CNS(=O)(=O)c1cccc([C@H](C)NC(=O)C(=O)Nc2ccc(C(=O)N3CCN(C)CC3)cc2)c1 ZINC000524074654 1069817680 /nfs/dbraw/zinc/81/76/80/1069817680.db2.gz PDRIURJCOVTZGF-INIZCTEOSA-N 0 0 487.582 0.798 20 0 JCADRN CNS(=O)(=O)c1cccc([C@@H](C)NC(=O)C(=O)Nc2ccc(C(=O)N3CCN(C)CC3)cc2)c1 ZINC000524074655 1069817433 /nfs/dbraw/zinc/81/74/33/1069817433.db2.gz PDRIURJCOVTZGF-MRXNPFEDSA-N 0 0 487.582 0.798 20 0 JCADRN CNS(=O)(=O)c1cccc([C@H](C)NC(=O)C(=O)Nc2ccccc2C(=O)N2CCOCC2)c1 ZINC000524076560 1069816461 /nfs/dbraw/zinc/81/64/61/1069816461.db2.gz CXWVKRPMMQAQON-HNNXBMFYSA-N 0 0 474.539 0.883 20 0 JCADRN CNS(=O)(=O)c1cccc([C@@H](C)NC(=O)C(=O)Nc2ccccc2C(=O)N2CCOCC2)c1 ZINC000524076561 1069816000 /nfs/dbraw/zinc/81/60/00/1069816000.db2.gz CXWVKRPMMQAQON-OAHLLOKOSA-N 0 0 474.539 0.883 20 0 JCADRN COC(=O)CNC(=O)c1ccc(NC(=O)C(=O)N2CCC(NC(=O)c3ccoc3C)CC2)cc1 ZINC000524076605 1069816185 /nfs/dbraw/zinc/81/61/85/1069816185.db2.gz FBYOEOPVBDGSKQ-UHFFFAOYSA-N 0 0 470.482 0.850 20 0 JCADRN CNS(=O)(=O)c1cccc([C@@H](C)NC(=O)C(=O)Nc2ccc(C(=O)NCC(=O)OC)cc2)c1 ZINC000524076638 1069816234 /nfs/dbraw/zinc/81/62/34/1069816234.db2.gz GNHGAGLGMVWANG-CYBMUJFWSA-N 0 0 476.511 0.313 20 0 JCADRN 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/nfs/dbraw/zinc/69/44/22/1070694422.db2.gz YBBFRIIVWXYQCR-SJORKVTESA-N 0 0 452.577 0.883 20 0 JCADRN CCOc1ccc(NC(=O)C(=O)NCCN2CCOC[C@@H]2C)cc1S(=O)(=O)N1CCCC1 ZINC000591756138 1070694234 /nfs/dbraw/zinc/69/42/34/1070694234.db2.gz ZGAGGFVYCOMOAB-INIZCTEOSA-N 0 0 468.576 0.645 20 0 JCADRN CCOc1ccc(NC(=O)C(=O)NCCN2CCOC[C@H]2C)cc1S(=O)(=O)N1CCCC1 ZINC000591756139 1070694414 /nfs/dbraw/zinc/69/44/14/1070694414.db2.gz ZGAGGFVYCOMOAB-MRXNPFEDSA-N 0 0 468.576 0.645 20 0 JCADRN COc1ccc(NC(=O)C(=O)NCCN2CCOC[C@@H]2C)cc1S(=O)(=O)N1CCCCC1 ZINC000591758581 1070688391 /nfs/dbraw/zinc/68/83/91/1070688391.db2.gz RALMNCHRKWICSP-INIZCTEOSA-N 0 0 468.576 0.645 20 0 JCADRN COc1ccc(NC(=O)C(=O)NCCN2CCOC[C@H]2C)cc1S(=O)(=O)N1CCCCC1 ZINC000591758582 1070688223 /nfs/dbraw/zinc/68/82/23/1070688223.db2.gz RALMNCHRKWICSP-MRXNPFEDSA-N 0 0 468.576 0.645 20 0 JCADRN CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)C(=O)NCCN2CCOC[C@@H]2C)c1 ZINC000591758607 1070688201 /nfs/dbraw/zinc/68/82/01/1070688201.db2.gz RIAVRPXQRJNPDM-HNNXBMFYSA-N 0 0 456.565 0.501 20 0 JCADRN CCN(CC)S(=O)(=O)c1ccc(OC)c(NC(=O)C(=O)NCCN2CCOC[C@H]2C)c1 ZINC000591758617 1070688335 /nfs/dbraw/zinc/68/83/35/1070688335.db2.gz RIAVRPXQRJNPDM-OAHLLOKOSA-N 0 0 456.565 0.501 20 0 JCADRN CC1CCN(S(=O)(=O)c2ccc(NC(=O)C(=O)NCCN3CCOC[C@@H]3C)cc2)CC1 ZINC000591759027 1070688489 /nfs/dbraw/zinc/68/84/89/1070688489.db2.gz VJWOWWRWVLYCRW-KRWDZBQOSA-N 0 0 452.577 0.883 20 0 JCADRN CC1CCN(S(=O)(=O)c2ccc(NC(=O)C(=O)NCCN3CCOC[C@H]3C)cc2)CC1 ZINC000591759031 1070688310 /nfs/dbraw/zinc/68/83/10/1070688310.db2.gz VJWOWWRWVLYCRW-QGZVFWFLSA-N 0 0 452.577 0.883 20 0 JCADRN Cc1ccc(NC(=O)C(=O)NCCN2CCOC[C@@H]2C)cc1S(=O)(=O)N1CCCCC1 ZINC000591759560 1070688524 /nfs/dbraw/zinc/68/85/24/1070688524.db2.gz ZEGLCIKEQLEBBI-KRWDZBQOSA-N 0 0 452.577 0.945 20 0 JCADRN Cc1ccc(NC(=O)C(=O)NCCN2CCOC[C@H]2C)cc1S(=O)(=O)N1CCCCC1 ZINC000591759561 1070688176 /nfs/dbraw/zinc/68/81/76/1070688176.db2.gz ZEGLCIKEQLEBBI-QGZVFWFLSA-N 0 0 452.577 0.945 20 0 JCADRN CC[C@@H](NC(=O)C(=O)N1C[C@H](C(=O)NC)Oc2ccccc21)c1cccc(S(N)(=O)=O)c1 ZINC000591761773 1070689155 /nfs/dbraw/zinc/68/91/55/1070689155.db2.gz HIUGJZWDMBIBOZ-CRAIPNDOSA-N 0 0 460.512 0.442 20 0 JCADRN CC[C@H](NC(=O)C(=O)N1C[C@H](C(=O)NC)Oc2ccccc21)c1cccc(S(N)(=O)=O)c1 ZINC000591761774 1070689112 /nfs/dbraw/zinc/68/91/12/1070689112.db2.gz HIUGJZWDMBIBOZ-MAUKXSAKSA-N 0 0 460.512 0.442 20 0 JCADRN CC[C@@H](NC(=O)C(=O)N1C[C@@H](C(=O)NC)Oc2ccccc21)c1cccc(S(N)(=O)=O)c1 ZINC000591761775 1070688954 /nfs/dbraw/zinc/68/89/54/1070688954.db2.gz HIUGJZWDMBIBOZ-QAPCUYQASA-N 0 0 460.512 0.442 20 0 JCADRN CC[C@H](NC(=O)C(=O)N1C[C@@H](C(=O)NC)Oc2ccccc21)c1cccc(S(N)(=O)=O)c1 ZINC000591761776 1070689026 /nfs/dbraw/zinc/68/90/26/1070689026.db2.gz HIUGJZWDMBIBOZ-YJBOKZPZSA-N 0 0 460.512 0.442 20 0 JCADRN CC[C@H](NC(=O)C(=O)Nc1cccc(S(=O)(=O)NC)c1)c1cccc(S(N)(=O)=O)c1 ZINC000591762067 1070689124 /nfs/dbraw/zinc/68/91/24/1070689124.db2.gz OQEQSFMNVQJIAO-INIZCTEOSA-N 0 0 454.530 0.448 20 0 JCADRN CC[C@@H](NC(=O)C(=O)Nc1cccc(S(=O)(=O)NC)c1)c1cccc(S(N)(=O)=O)c1 ZINC000591762069 1070689145 /nfs/dbraw/zinc/68/91/45/1070689145.db2.gz OQEQSFMNVQJIAO-MRXNPFEDSA-N 0 0 454.530 0.448 20 0 JCADRN CC[C@H](NC(=O)C(=O)Nc1ccc(C)c(S(=O)(=O)NC)c1)c1cccc(S(N)(=O)=O)c1 ZINC000591762428 1070689137 /nfs/dbraw/zinc/68/91/37/1070689137.db2.gz MATUWPUOZLACHY-INIZCTEOSA-N 0 0 468.557 0.757 20 0 JCADRN CC[C@@H](NC(=O)C(=O)Nc1ccc(C)c(S(=O)(=O)NC)c1)c1cccc(S(N)(=O)=O)c1 ZINC000591762429 1070689035 /nfs/dbraw/zinc/68/90/35/1070689035.db2.gz MATUWPUOZLACHY-MRXNPFEDSA-N 0 0 468.557 0.757 20 0 JCADRN CC[C@H](NC(=O)C(=O)Nc1ccccc1C(=O)N1CCN(C)CC1)c1cccc(S(N)(=O)=O)c1 ZINC000591762438 1070689215 /nfs/dbraw/zinc/68/92/15/1070689215.db2.gz MKBCYMAWISLDHR-IBGZPJMESA-N 0 0 487.582 0.928 20 0 JCADRN CC[C@@H](NC(=O)C(=O)Nc1ccccc1C(=O)N1CCN(C)CC1)c1cccc(S(N)(=O)=O)c1 ZINC000591762439 1070689204 /nfs/dbraw/zinc/68/92/04/1070689204.db2.gz MKBCYMAWISLDHR-LJQANCHMSA-N 0 0 487.582 0.928 20 0 JCADRN CCS(=O)(=O)N[C@@H](CCSC)C(=O)Nc1ccc(NC(=O)CN2CCOCC2)cc1 ZINC000591762874 1070688922 /nfs/dbraw/zinc/68/89/22/1070688922.db2.gz XYNHDZOTKHGDJQ-KRWDZBQOSA-N 0 0 458.606 0.957 20 0 JCADRN CCS(=O)(=O)N[C@H](CCSC)C(=O)Nc1ccc(NC(=O)CN2CCOCC2)cc1 ZINC000591762875 1070689018 /nfs/dbraw/zinc/68/90/18/1070689018.db2.gz XYNHDZOTKHGDJQ-QGZVFWFLSA-N 0 0 458.606 0.957 20 0 JCADRN CCC[C@@H](NC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)c1ccccn1 ZINC000591763008 1070689073 /nfs/dbraw/zinc/68/90/73/1070689073.db2.gz UWZNXWJCSKUHGE-GOSISDBHSA-N 0 0 459.528 0.798 20 0 JCADRN CCC[C@H](NC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)c1ccccn1 ZINC000591763009 1070689226 /nfs/dbraw/zinc/68/92/26/1070689226.db2.gz UWZNXWJCSKUHGE-SFHVURJKSA-N 0 0 459.528 0.798 20 0 JCADRN COc1ccccc1CCN(C)C(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000591764768 1070695212 /nfs/dbraw/zinc/69/52/12/1070695212.db2.gz KAWSGDPFVAQVQA-UHFFFAOYSA-N 0 0 474.539 0.455 20 0 JCADRN COC(=O)c1ccc(N2CCCC2)c(NC(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)c1 ZINC000591768813 1070696506 /nfs/dbraw/zinc/69/65/06/1070696506.db2.gz WMMITHWQTJXQLH-UHFFFAOYSA-N 0 0 454.487 0.849 20 0 JCADRN Cc1nc(C(C)(C)NC(=O)Nc2ccc(S(=O)(=O)N[C@@H]3CCS(=O)(=O)C3)cc2)no1 ZINC000591769651 1070696392 /nfs/dbraw/zinc/69/63/92/1070696392.db2.gz MGELMIRWIPNRBT-CYBMUJFWSA-N 0 0 457.534 0.900 20 0 JCADRN Cc1nc(C(C)(C)NC(=O)Nc2ccc(S(=O)(=O)N[C@H]3CCS(=O)(=O)C3)cc2)no1 ZINC000591769652 1070696474 /nfs/dbraw/zinc/69/64/74/1070696474.db2.gz MGELMIRWIPNRBT-ZDUSSCGKSA-N 0 0 457.534 0.900 20 0 JCADRN CS(=O)(=O)N1CCN(CCNC(=O)NCc2nnc(-c3ccc(Br)cc3)[nH]2)CC1 ZINC000591771582 1070696526 /nfs/dbraw/zinc/69/65/26/1070696526.db2.gz QEMKIRBZNZQTGL-UHFFFAOYSA-N 0 0 486.396 0.611 20 0 JCADRN Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)CSc2nc(=O)ccn2C2CC2)CC1 ZINC000591772803 1070696551 /nfs/dbraw/zinc/69/65/51/1070696551.db2.gz TYFAFYWVZSAAKX-UHFFFAOYSA-N 0 0 453.546 0.808 20 0 JCADRN CN(CC(=O)Nc1ccccc1S(=O)(=O)N1CCOCC1)S(=O)(=O)c1ccccc1 ZINC000591774746 1070696434 /nfs/dbraw/zinc/69/64/34/1070696434.db2.gz CRZUJUPOGQKQAH-UHFFFAOYSA-N 0 0 453.542 0.967 20 0 JCADRN O=C(Nc1ccccc1S(=O)(=O)N1CCOCC1)C1CCN(c2ccc3nnnn3n2)CC1 ZINC000591774851 1070696580 /nfs/dbraw/zinc/69/65/80/1070696580.db2.gz JJTWWQMILGXWGQ-UHFFFAOYSA-N 0 0 472.531 0.395 20 0 JCADRN Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)Nc1ccccc1S(=O)(=O)N1CCOCC1 ZINC000591775062 1070696406 /nfs/dbraw/zinc/69/64/06/1070696406.db2.gz MPWIDRNLMIGKHT-UHFFFAOYSA-N 0 0 491.570 0.919 20 0 JCADRN Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1ccccc1S(=O)(=O)N1CCOCC1 ZINC000591775354 1070696481 /nfs/dbraw/zinc/69/64/81/1070696481.db2.gz WULMJZRVXSCIDZ-UHFFFAOYSA-N 0 0 498.583 0.319 20 0 JCADRN O=C(Cn1c(=O)ccn(Cc2ccccc2)c1=O)Nc1ccccc1S(=O)(=O)N1CCOCC1 ZINC000591776283 1070696490 /nfs/dbraw/zinc/69/64/90/1070696490.db2.gz XOOIGSAPTHSHRZ-UHFFFAOYSA-N 0 0 484.534 0.718 20 0 JCADRN C[C@@H](NC(=O)CC1(CC(=O)N[C@@H](C)C(=O)N2CCOCC2)CCCCC1)C(=O)N1CCOCC1 ZINC000591778054 1070696519 /nfs/dbraw/zinc/69/65/19/1070696519.db2.gz LFGAGENIELODIH-KDURUIRLSA-N 0 0 480.606 0.444 20 0 JCADRN C[C@H](NC(=O)CC1(CC(=O)N[C@@H](C)C(=O)N2CCOCC2)CCCCC1)C(=O)N1CCOCC1 ZINC000591778055 1070696306 /nfs/dbraw/zinc/69/63/06/1070696306.db2.gz LFGAGENIELODIH-OALUTQOASA-N 0 0 480.606 0.444 20 0 JCADRN C[C@@H](NC(=O)CC1(CC(=O)N[C@H](C)C(=O)N2CCOCC2)CCCCC1)C(=O)N1CCOCC1 ZINC000591778057 1070696562 /nfs/dbraw/zinc/69/65/62/1070696562.db2.gz LFGAGENIELODIH-RTBURBONSA-N 0 0 480.606 0.444 20 0 JCADRN CN(C)C(=O)Cn1ccc(=NC(=O)CC2(CC(=O)N=c3ccn(CC(=O)N(C)C)[nH]3)CCCC2)[nH]1 ZINC000591778669 1070695202 /nfs/dbraw/zinc/69/52/02/1070695202.db2.gz RITCLKLQQFOJRX-UHFFFAOYSA-N 0 0 486.577 0.018 20 0 JCADRN CCc1nc(CCNC(=O)[C@@H](NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)C(C)C)no1 ZINC000591783448 1070694996 /nfs/dbraw/zinc/69/49/96/1070694996.db2.gz ZTNFQFJWMJPQSU-FQEVSTJZSA-N 0 0 493.586 0.766 20 0 JCADRN CCc1nc(CCNC(=O)[C@H](NC(=O)c2cccc(S(=O)(=O)N3CCOCC3)c2)C(C)C)no1 ZINC000591783458 1070695139 /nfs/dbraw/zinc/69/51/39/1070695139.db2.gz ZTNFQFJWMJPQSU-HXUWFJFHSA-N 0 0 493.586 0.766 20 0 JCADRN COC(=O)CNC(=O)CNC(=O)c1cc(S(=O)(=O)N2CCCCC2)ccc1N1CCCCC1 ZINC000591785331 1070695052 /nfs/dbraw/zinc/69/50/52/1070695052.db2.gz WHZKGUJPIBSUED-UHFFFAOYSA-N 0 0 480.587 0.871 20 0 JCADRN COC(=O)CNC(=O)CNC(=O)C1(S(=O)(=O)c2ccc(Br)cc2)CCCC1 ZINC000591786991 1070694868 /nfs/dbraw/zinc/69/48/68/1070694868.db2.gz BWYQNHZOUMPDKR-UHFFFAOYSA-N 0 0 461.334 0.941 20 0 JCADRN O=C(CC1(CC(=O)NCCC(=O)N2CCOCC2)CCCCC1)NCCC(=O)N1CCOCC1 ZINC000591797767 1070695028 /nfs/dbraw/zinc/69/50/28/1070695028.db2.gz GKPDMWKTLKCPMC-UHFFFAOYSA-N 0 0 480.606 0.447 20 0 JCADRN O=C(COCC(=O)N1CCN(Cc2cccnc2)CC1)N1CCN(Cc2cccnc2)CC1 ZINC000591797825 1070695090 /nfs/dbraw/zinc/69/50/90/1070695090.db2.gz JTLGPDSRMRVFIG-UHFFFAOYSA-N 0 0 452.559 0.482 20 0 JCADRN O=C(COCC(=O)Nc1ccc(N2CCOCC2)cn1)Nc1ccc(N2CCOCC2)cn1 ZINC000591797954 1070695124 /nfs/dbraw/zinc/69/51/24/1070695124.db2.gz XKZGZFWDPMEXJI-UHFFFAOYSA-N 0 0 456.503 0.744 20 0 JCADRN 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GRDGAGDBRZZBAV-GDBMZVCRSA-N 0 0 475.489 0.816 20 0 JCADRN CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)[C@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 ZINC000613738803 1067984884 /nfs/dbraw/zinc/98/48/84/1067984884.db2.gz GRDGAGDBRZZBAV-GOEBONIOSA-N 0 0 475.489 0.816 20 0 JCADRN CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)[C@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 ZINC000613738804 1067984945 /nfs/dbraw/zinc/98/49/45/1067984945.db2.gz GRDGAGDBRZZBAV-HOCLYGCPSA-N 0 0 475.489 0.816 20 0 JCADRN CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)[C@@H]1CC(=O)N(Cc2cccc(C(F)(F)F)c2)C1 ZINC000613738805 1067984851 /nfs/dbraw/zinc/98/48/51/1067984851.db2.gz GRDGAGDBRZZBAV-ZBFHGGJFSA-N 0 0 475.489 0.816 20 0 JCADRN CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000613738856 1067988603 /nfs/dbraw/zinc/98/86/03/1067988603.db2.gz GYKAPNQVDOLZCJ-INIZCTEOSA-N 0 0 492.019 0.502 20 0 JCADRN CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)C1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000613738857 1067988666 /nfs/dbraw/zinc/98/86/66/1067988666.db2.gz GYKAPNQVDOLZCJ-MRXNPFEDSA-N 0 0 492.019 0.502 20 0 JCADRN CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1 ZINC000613738863 1067988064 /nfs/dbraw/zinc/98/80/64/1067988064.db2.gz HKIOSFGKJSHULV-KRWDZBQOSA-N 0 0 471.601 0.627 20 0 JCADRN CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)c1cccc(S(=O)(=O)N2CCCCCC2)c1 ZINC000613738864 1067987991 /nfs/dbraw/zinc/98/79/91/1067987991.db2.gz HKIOSFGKJSHULV-QGZVFWFLSA-N 0 0 471.601 0.627 20 0 JCADRN COc1ccc(Cl)cc1N1C[C@@H](C(=O)N(C)CC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1=O ZINC000613738881 1067988823 /nfs/dbraw/zinc/98/88/23/1067988823.db2.gz IKWBCDAPCWDRLD-GXTWGEPZSA-N 0 0 457.936 0.463 20 0 JCADRN COc1ccc(Cl)cc1N1C[C@@H](C(=O)N(C)CC(=O)N[C@H]2CCS(=O)(=O)C2)CC1=O ZINC000613738882 1067988693 /nfs/dbraw/zinc/98/86/93/1067988693.db2.gz IKWBCDAPCWDRLD-JSGCOSHPSA-N 0 0 457.936 0.463 20 0 JCADRN COc1ccc(Cl)cc1N1C[C@H](C(=O)N(C)CC(=O)N[C@H]2CCS(=O)(=O)C2)CC1=O ZINC000613738883 1067989339 /nfs/dbraw/zinc/98/93/39/1067989339.db2.gz IKWBCDAPCWDRLD-OCCSQVGLSA-N 0 0 457.936 0.463 20 0 JCADRN COc1ccc(Cl)cc1N1C[C@H](C(=O)N(C)CC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1=O ZINC000613738884 1067989459 /nfs/dbraw/zinc/98/94/59/1067989459.db2.gz IKWBCDAPCWDRLD-TZMCWYRMSA-N 0 0 457.936 0.463 20 0 JCADRN CC(C)[C@@H](NC(=O)c1ccccc1Br)C(=O)N(C)CC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000613738885 1067988642 /nfs/dbraw/zinc/98/86/42/1067988642.db2.gz IMPGEPGSVBZTIG-CXAGYDPISA-N 0 0 488.404 0.965 20 0 JCADRN CC(C)[C@H](NC(=O)c1ccccc1Br)C(=O)N(C)CC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000613738886 1067989907 /nfs/dbraw/zinc/98/99/07/1067989907.db2.gz IMPGEPGSVBZTIG-DYVFJYSZSA-N 0 0 488.404 0.965 20 0 JCADRN CC(C)[C@H](NC(=O)c1ccccc1Br)C(=O)N(C)CC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000613738887 1067990028 /nfs/dbraw/zinc/99/00/28/1067990028.db2.gz IMPGEPGSVBZTIG-GUYCJALGSA-N 0 0 488.404 0.965 20 0 JCADRN CC(C)[C@@H](NC(=O)c1ccccc1Br)C(=O)N(C)CC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000613738888 1067989994 /nfs/dbraw/zinc/98/99/94/1067989994.db2.gz IMPGEPGSVBZTIG-SUMWQHHRSA-N 0 0 488.404 0.965 20 0 JCADRN CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc21 ZINC000613738893 1067990100 /nfs/dbraw/zinc/99/01/00/1067990100.db2.gz IQFOIORYXUWJBX-KRWDZBQOSA-N 0 0 468.535 0.820 20 0 JCADRN CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)c1nn(Cc2ccccc2)c(=O)c2ccccc21 ZINC000613738894 1067990008 /nfs/dbraw/zinc/99/00/08/1067990008.db2.gz IQFOIORYXUWJBX-QGZVFWFLSA-N 0 0 468.535 0.820 20 0 JCADRN C[C@H]1CCCN(S(=O)(=O)c2ccc(C(=O)N(C)CC(=O)N[C@@H]3CCS(=O)(=O)C3)cc2)C1 ZINC000613738902 1067989369 /nfs/dbraw/zinc/98/93/69/1067989369.db2.gz JMZMWHRQSWIQRP-DOTOQJQBSA-N 0 0 471.601 0.483 20 0 JCADRN C[C@@H]1CCCN(S(=O)(=O)c2ccc(C(=O)N(C)CC(=O)N[C@@H]3CCS(=O)(=O)C3)cc2)C1 ZINC000613738903 1067989292 /nfs/dbraw/zinc/98/92/92/1067989292.db2.gz JMZMWHRQSWIQRP-NVXWUHKLSA-N 0 0 471.601 0.483 20 0 JCADRN C[C@H]1CCCN(S(=O)(=O)c2ccc(C(=O)N(C)CC(=O)N[C@H]3CCS(=O)(=O)C3)cc2)C1 ZINC000613738904 1067989325 /nfs/dbraw/zinc/98/93/25/1067989325.db2.gz JMZMWHRQSWIQRP-RDJZCZTQSA-N 0 0 471.601 0.483 20 0 JCADRN C[C@@H]1CCCN(S(=O)(=O)c2ccc(C(=O)N(C)CC(=O)N[C@H]3CCS(=O)(=O)C3)cc2)C1 ZINC000613738905 1067989952 /nfs/dbraw/zinc/98/99/52/1067989952.db2.gz JMZMWHRQSWIQRP-WBVHZDCISA-N 0 0 471.601 0.483 20 0 JCADRN CC(C)c1ccc(S(=O)(=O)N2CCC(C(=O)N(C)CC(=O)N[C@H]3CCS(=O)(=O)C3)CC2)cc1 ZINC000613738909 1067990000 /nfs/dbraw/zinc/99/00/00/1067990000.db2.gz JVEJYEDXBAXGPU-IBGZPJMESA-N 0 0 499.655 0.972 20 0 JCADRN CC(C)c1ccc(S(=O)(=O)N2CCC(C(=O)N(C)CC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)cc1 ZINC000613738910 1067990036 /nfs/dbraw/zinc/99/00/36/1067990036.db2.gz JVEJYEDXBAXGPU-LJQANCHMSA-N 0 0 499.655 0.972 20 0 JCADRN COc1ccc(C(=O)N(C)CC(=O)N[C@H]2CCS(=O)(=O)C2)cc1S(=O)(=O)NC1CCCC1 ZINC000613738911 1067990018 /nfs/dbraw/zinc/99/00/18/1067990018.db2.gz KGQNVISTBIWSFC-INIZCTEOSA-N 0 0 487.600 0.291 20 0 JCADRN COc1ccc(C(=O)N(C)CC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1S(=O)(=O)NC1CCCC1 ZINC000613738912 1067989899 /nfs/dbraw/zinc/98/98/99/1067989899.db2.gz KGQNVISTBIWSFC-MRXNPFEDSA-N 0 0 487.600 0.291 20 0 JCADRN COc1ccc(C(=O)N(C)CC(=O)N[C@H]2CCS(=O)(=O)C2)cc1S(=O)(=O)NC(C)(C)C ZINC000613738916 1067990015 /nfs/dbraw/zinc/99/00/15/1067990015.db2.gz KMRXHFWXODOASG-AWEZNQCLSA-N 0 0 475.589 0.147 20 0 JCADRN COc1ccc(C(=O)N(C)CC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1S(=O)(=O)NC(C)(C)C ZINC000613738919 1067990074 /nfs/dbraw/zinc/99/00/74/1067990074.db2.gz KMRXHFWXODOASG-CQSZACIVSA-N 0 0 475.589 0.147 20 0 JCADRN CCOc1ccc(-c2noc(CCC(=O)N(C)CC(=O)N[C@H]3CCS(=O)(=O)C3)n2)cc1 ZINC000613739162 1067987486 /nfs/dbraw/zinc/98/74/86/1067987486.db2.gz FMOSOAQDLYJPCM-HNNXBMFYSA-N 0 0 450.517 0.830 20 0 JCADRN CCOc1ccc(-c2noc(CCC(=O)N(C)CC(=O)N[C@@H]3CCS(=O)(=O)C3)n2)cc1 ZINC000613739165 1067987569 /nfs/dbraw/zinc/98/75/69/1067987569.db2.gz FMOSOAQDLYJPCM-OAHLLOKOSA-N 0 0 450.517 0.830 20 0 JCADRN COc1ccc(Cl)cc1C(=O)N1CCC(C(=O)N(C)CC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 ZINC000613739185 1067987559 /nfs/dbraw/zinc/98/75/59/1067987559.db2.gz FWCRORGTUCKBLT-INIZCTEOSA-N 0 0 485.990 0.963 20 0 JCADRN COc1ccc(Cl)cc1C(=O)N1CCC(C(=O)N(C)CC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000613739190 1067987450 /nfs/dbraw/zinc/98/74/50/1067987450.db2.gz FWCRORGTUCKBLT-MRXNPFEDSA-N 0 0 485.990 0.963 20 0 JCADRN CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)[C@@H]1CCCN(C(=O)c2ccccc2OC(F)F)C1 ZINC000613739231 1067987442 /nfs/dbraw/zinc/98/74/42/1067987442.db2.gz GDULLINOROSRAE-CABCVRRESA-N 0 0 487.525 0.902 20 0 JCADRN CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)[C@H]1CCCN(C(=O)c2ccccc2OC(F)F)C1 ZINC000613739239 1067987976 /nfs/dbraw/zinc/98/79/76/1067987976.db2.gz GDULLINOROSRAE-GJZGRUSLSA-N 0 0 487.525 0.902 20 0 JCADRN CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)[C@@H]1CCCN(C(=O)c2ccccc2OC(F)F)C1 ZINC000613739241 1067988058 /nfs/dbraw/zinc/98/80/58/1067988058.db2.gz GDULLINOROSRAE-HUUCEWRRSA-N 0 0 487.525 0.902 20 0 JCADRN CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)[C@H]1CCCN(C(=O)c2ccccc2OC(F)F)C1 ZINC000613739244 1067988007 /nfs/dbraw/zinc/98/80/07/1067988007.db2.gz GDULLINOROSRAE-LSDHHAIUSA-N 0 0 487.525 0.902 20 0 JCADRN COc1ccc(-c2noc(CCCC(=O)N(C)CC(=O)N[C@H]3CCS(=O)(=O)C3)n2)cc1 ZINC000613739305 1067987490 /nfs/dbraw/zinc/98/74/90/1067987490.db2.gz HFYDWEIZOMUEPW-HNNXBMFYSA-N 0 0 450.517 0.830 20 0 JCADRN COc1ccc(-c2noc(CCCC(=O)N(C)CC(=O)N[C@@H]3CCS(=O)(=O)C3)n2)cc1 ZINC000613739308 1067987500 /nfs/dbraw/zinc/98/75/00/1067987500.db2.gz HFYDWEIZOMUEPW-OAHLLOKOSA-N 0 0 450.517 0.830 20 0 JCADRN CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)Cc1csc(NC(=O)c2ccccc2)n1 ZINC000613739324 1067987374 /nfs/dbraw/zinc/98/73/74/1067987374.db2.gz HPCMZUQPZODSQQ-AWEZNQCLSA-N 0 0 450.542 0.700 20 0 JCADRN CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)Cc1csc(NC(=O)c2ccccc2)n1 ZINC000613739325 1067987476 /nfs/dbraw/zinc/98/74/76/1067987476.db2.gz HPCMZUQPZODSQQ-CQSZACIVSA-N 0 0 450.542 0.700 20 0 JCADRN CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)[C@H]1CCN(c2ccccc2Br)C1=O ZINC000613739441 1067986680 /nfs/dbraw/zinc/98/66/80/1067986680.db2.gz KPVBHIKTKULMOF-CHWSQXEVSA-N 0 0 472.361 0.564 20 0 JCADRN CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)[C@@H]1CCN(c2ccccc2Br)C1=O ZINC000613739442 1067986848 /nfs/dbraw/zinc/98/68/48/1067986848.db2.gz KPVBHIKTKULMOF-OLZOCXBDSA-N 0 0 472.361 0.564 20 0 JCADRN CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)[C@H]1CCN(c2ccccc2Br)C1=O ZINC000613739443 1067986914 /nfs/dbraw/zinc/98/69/14/1067986914.db2.gz KPVBHIKTKULMOF-QWHCGFSZSA-N 0 0 472.361 0.564 20 0 JCADRN CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)[C@@H]1CCN(c2ccccc2Br)C1=O ZINC000613739444 1067986688 /nfs/dbraw/zinc/98/66/88/1067986688.db2.gz KPVBHIKTKULMOF-STQMWFEESA-N 0 0 472.361 0.564 20 0 JCADRN CCOc1cc(C(=O)N(C)CC(=O)N[C@@H]2CCS(=O)(=O)C2)ccc1OCC(=O)N1CCCCC1 ZINC000613739548 1067984969 /nfs/dbraw/zinc/98/49/69/1067984969.db2.gz MFOOJAQHDFSTMH-GOSISDBHSA-N 0 0 495.598 0.852 20 0 JCADRN CCOc1cc(C(=O)N(C)CC(=O)N[C@H]2CCS(=O)(=O)C2)ccc1OCC(=O)N1CCCCC1 ZINC000613739550 1067984997 /nfs/dbraw/zinc/98/49/97/1067984997.db2.gz MFOOJAQHDFSTMH-SFHVURJKSA-N 0 0 495.598 0.852 20 0 JCADRN 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/nfs/dbraw/zinc/00/90/93/1069009093.db2.gz UOXKDKPKQONSKF-UHFFFAOYSA-N 0 0 498.583 0.567 20 0 JCADRN CCC(CC)C(=O)N1CCC(NC(=O)N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)CC1 ZINC000616145689 1069009397 /nfs/dbraw/zinc/00/93/97/1069009397.db2.gz MYNAAUPPPDVIMK-UHFFFAOYSA-N 0 0 472.656 0.233 20 0 JCADRN Cc1cccc(CNC(=O)N2CCN(S(=O)(=O)c3ccc(S(N)(=O)=O)cc3)CC2)n1 ZINC000616146088 1069009535 /nfs/dbraw/zinc/00/95/35/1069009535.db2.gz NRRYPAIXZMOPAS-UHFFFAOYSA-N 0 0 453.546 0.254 20 0 JCADRN COc1ccc(CNC(=O)N2CCN(S(=O)(=O)c3ccc(S(N)(=O)=O)cc3)CC2)c(OC)c1 ZINC000616158247 1069009580 /nfs/dbraw/zinc/00/95/80/1069009580.db2.gz SUVXLKDXZFYSMA-UHFFFAOYSA-N 0 0 498.583 0.567 20 0 JCADRN CNC(=O)CCCNC(=O)N1CCN(S(=O)(=O)c2cc3c(cc2Cl)NC(=O)CO3)CC1 ZINC000616160613 1069009594 /nfs/dbraw/zinc/00/95/94/1069009594.db2.gz BTBAULUNIFMOKZ-UHFFFAOYSA-N 0 0 473.939 0.213 20 0 JCADRN Cc1ccn2cc(CNC(=O)N3CCN(S(=O)(=O)c4ccc(S(N)(=O)=O)cc4)CC3)nc2c1 ZINC000616161945 1069009473 /nfs/dbraw/zinc/00/94/73/1069009473.db2.gz IIHWLJZFTULDQN-UHFFFAOYSA-N 0 0 492.583 0.506 20 0 JCADRN O=C(NCc1ccc2c(c1)OCO2)C(=O)N1C[C@@H](C(=O)N2CCOCC2)Oc2ccccc21 ZINC000616164169 1069009513 /nfs/dbraw/zinc/00/95/13/1069009513.db2.gz JETQVHCQZGURDM-FQEVSTJZSA-N 0 0 453.451 0.685 20 0 JCADRN O=C(NCc1ccc2c(c1)OCO2)C(=O)N1C[C@H](C(=O)N2CCOCC2)Oc2ccccc21 ZINC000616164170 1069009608 /nfs/dbraw/zinc/00/96/08/1069009608.db2.gz JETQVHCQZGURDM-HXUWFJFHSA-N 0 0 453.451 0.685 20 0 JCADRN O=C(NCc1ccc2c(c1)OCO2)C(=O)Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 ZINC000616164568 1069009634 /nfs/dbraw/zinc/00/96/34/1069009634.db2.gz XPQVMWGLKNRLOP-UHFFFAOYSA-N 0 0 465.459 0.830 20 0 JCADRN CCOC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)NCCCN3CCOCC3)CC2)cc1 ZINC000616170067 1069457500 /nfs/dbraw/zinc/45/75/00/1069457500.db2.gz QPPQDRRRAGBAKD-UHFFFAOYSA-N 0 0 468.576 0.602 20 0 JCADRN O=C(NCCCN1CCOCC1)C(=O)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21 ZINC000616171011 1069009671 /nfs/dbraw/zinc/00/96/71/1069009671.db2.gz GPTFXWVTRMIQJM-UHFFFAOYSA-N 0 0 464.588 0.589 20 0 JCADRN 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CN(CCCNC(=O)C(=O)Nc1ccc(C(=O)N2CCOCC2)c(Cl)c1)S(C)(=O)=O ZINC000618585218 1069148997 /nfs/dbraw/zinc/14/89/97/1069148997.db2.gz AYLMIQKONZAZCW-UHFFFAOYSA-N 0 0 460.940 0.149 20 0 JCADRN CC(C)(C)NS(=O)(=O)CCNC(=O)C(=O)Nc1ccc(C(=O)N2CCOCC2)c(Cl)c1 ZINC000618586879 1069148749 /nfs/dbraw/zinc/14/87/49/1069148749.db2.gz SKTSQBJQXXWPTD-UHFFFAOYSA-N 0 0 474.967 0.585 20 0 JCADRN COCC(=O)NC1CCN(C(=O)C(=O)Nc2ccc(C(=O)N3CCOCC3)c(Cl)c2)CC1 ZINC000618592565 1069148548 /nfs/dbraw/zinc/14/85/48/1069148548.db2.gz QCKFMZIOHIBRQA-UHFFFAOYSA-N 0 0 466.922 0.505 20 0 JCADRN CS(=O)(=O)NC1CCN(C(=O)C(=O)Nc2ccc(C(=O)N3CCOCC3)c(Cl)c2)CC1 ZINC000618595295 1069148953 /nfs/dbraw/zinc/14/89/53/1069148953.db2.gz MLVXFVCHADYGQM-UHFFFAOYSA-N 0 0 472.951 0.291 20 0 JCADRN COCCNC(=O)C1CCN(C(=O)C(=O)Nc2ccc(C(=O)N3CCOCC3)c(Cl)c2)CC1 ZINC000618596695 1069148972 /nfs/dbraw/zinc/14/89/72/1069148972.db2.gz LUHHFRLZWSAKQG-UHFFFAOYSA-N 0 0 480.949 0.752 20 0 JCADRN 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O=C(NCC[C@H]1C(=O)Nc2ccccc21)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000642795704 1070630900 /nfs/dbraw/zinc/63/09/00/1070630900.db2.gz VIDKEAPVARUYBL-GOSISDBHSA-N 0 0 472.523 0.888 20 0 JCADRN O=C(NCC[C@@H]1C(=O)Nc2ccccc21)C(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000642795705 1070630947 /nfs/dbraw/zinc/63/09/47/1070630947.db2.gz VIDKEAPVARUYBL-SFHVURJKSA-N 0 0 472.523 0.888 20 0 JCADRN CN1CCN(S(=O)(=O)c2ccc(NC(=O)C(=O)NCC[C@H]3c4ccccc4NC3=O)cc2)CC1 ZINC000642796173 1070630840 /nfs/dbraw/zinc/63/08/40/1070630840.db2.gz QNSQZQFAMLEHGD-IBGZPJMESA-N 0 0 485.566 0.803 20 0 JCADRN CN1CCN(S(=O)(=O)c2ccc(NC(=O)C(=O)NCC[C@@H]3c4ccccc4NC3=O)cc2)CC1 ZINC000642796174 1070630873 /nfs/dbraw/zinc/63/08/73/1070630873.db2.gz QNSQZQFAMLEHGD-LJQANCHMSA-N 0 0 485.566 0.803 20 0 JCADRN C[C@H](CCc1ccco1)NC(=O)C(=O)Nc1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000642797317 1070630973 /nfs/dbraw/zinc/63/09/73/1070630973.db2.gz VIHVTWCLKCYWCO-GDBMZVCRSA-N 0 0 483.568 0.821 20 0 JCADRN 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0.657 20 0 JCADRN COc1ccc(NC(=O)[C@@H](C)OC(=O)CCNS(=O)(=O)c2cn(C)c(C)n2)c(OC)c1 ZINC000726643240 1070984570 /nfs/dbraw/zinc/98/45/70/1070984570.db2.gz NUTJZYBWNUQWOA-GFCCVEGCSA-N 0 0 454.505 0.985 20 0 JCADRN COc1ccc(NC(=O)[C@H](C)OC(=O)CCNS(=O)(=O)c2cn(C)c(C)n2)c(OC)c1 ZINC000726643243 1070984365 /nfs/dbraw/zinc/98/43/65/1070984365.db2.gz NUTJZYBWNUQWOA-LBPRGKRZSA-N 0 0 454.505 0.985 20 0 JCADRN Cc1nc(S(=O)(=O)NCCC(=O)O[C@H](C)C(=O)c2ccc3c(c2)NC(=O)CO3)cn1C ZINC000726643268 1070984489 /nfs/dbraw/zinc/98/44/89/1070984489.db2.gz OUZCZBQAZCWPLJ-LLVKDONJSA-N 0 0 450.473 0.542 20 0 JCADRN Cc1nc(S(=O)(=O)NCCC(=O)O[C@@H](C)C(=O)c2ccc3c(c2)NC(=O)CO3)cn1C ZINC000726643269 1070984454 /nfs/dbraw/zinc/98/44/54/1070984454.db2.gz OUZCZBQAZCWPLJ-NSHDSACASA-N 0 0 450.473 0.542 20 0 JCADRN CC(=O)Nc1cccc(NC(=O)[C@@H](C)OC(=O)CCNS(=O)(=O)c2cn(C)c(C)n2)c1 ZINC000726643271 1070984616 /nfs/dbraw/zinc/98/46/16/1070984616.db2.gz OVSNSQVMOMVNAX-GFCCVEGCSA-N 0 0 451.505 0.926 20 0 JCADRN CC(=O)Nc1cccc(NC(=O)[C@H](C)OC(=O)CCNS(=O)(=O)c2cn(C)c(C)n2)c1 ZINC000726643272 1070984354 /nfs/dbraw/zinc/98/43/54/1070984354.db2.gz OVSNSQVMOMVNAX-LBPRGKRZSA-N 0 0 451.505 0.926 20 0 JCADRN Cc1nc(S(=O)(=O)NCCC(=O)OCC(=O)N2CCN(C(=O)Nc3ccccc3)CC2)cn1C ZINC000726643279 1070984423 /nfs/dbraw/zinc/98/44/23/1070984423.db2.gz PCCAALADIQMOGD-UHFFFAOYSA-N 0 0 492.558 0.316 20 0 JCADRN Cc1nc(S(=O)(=O)NCCC(=O)OCc2cc(=O)n3cc(Br)ccc3n2)cn1C ZINC000726643436 1070984337 /nfs/dbraw/zinc/98/43/37/1070984337.db2.gz QIZWGPSTAPZTDF-UHFFFAOYSA-N 0 0 484.332 0.911 20 0 JCADRN Cc1nc(S(=O)(=O)NCCC(=O)OCC(=O)NCc2cnn(-c3ccccc3)c2)cn1C ZINC000726643556 1070986089 /nfs/dbraw/zinc/98/60/89/1070986089.db2.gz RHMBIZMCVOZZCD-UHFFFAOYSA-N 0 0 460.516 0.442 20 0 JCADRN Cc1nc(S(=O)(=O)NCCC(=O)OCC(=O)Nc2cc(S(C)(=O)=O)ccc2Cl)cn1C ZINC000726643628 1070986221 /nfs/dbraw/zinc/98/62/21/1070986221.db2.gz RYSNSWQHZAHMDP-UHFFFAOYSA-N 0 0 492.963 0.636 20 0 JCADRN CC(=O)NCc1ccc(C(=O)[C@@H](C)OC(=O)CCNS(=O)(=O)c2cn(C)c(C)n2)s1 ZINC000726643683 1070986040 /nfs/dbraw/zinc/98/60/40/1070986040.db2.gz TZXFHYVBTSUDSQ-LLVKDONJSA-N 0 0 456.546 0.909 20 0 JCADRN CC(=O)NCc1ccc(C(=O)[C@H](C)OC(=O)CCNS(=O)(=O)c2cn(C)c(C)n2)s1 ZINC000726643684 1070986116 /nfs/dbraw/zinc/98/61/16/1070986116.db2.gz TZXFHYVBTSUDSQ-NSHDSACASA-N 0 0 456.546 0.909 20 0 JCADRN Cc1nc(S(=O)(=O)NCCC(=O)O[C@@H](C)C(=O)NCCc2ccc3c(c2)OCCO3)cn1C ZINC000726643690 1070985991 /nfs/dbraw/zinc/98/59/91/1070985991.db2.gz UIKVJODKAWLWAF-AWEZNQCLSA-N 0 0 480.543 0.459 20 0 JCADRN Cc1nc(S(=O)(=O)NCCC(=O)O[C@H](C)C(=O)NCCc2ccc3c(c2)OCCO3)cn1C ZINC000726643691 1070986146 /nfs/dbraw/zinc/98/61/46/1070986146.db2.gz UIKVJODKAWLWAF-CQSZACIVSA-N 0 0 480.543 0.459 20 0 JCADRN Cc1nc(S(=O)(=O)NCCC(=O)O[C@H](C)C(=O)NC(=O)Nc2ccc3c(c2)OCCO3)cn1C ZINC000726643796 1070986009 /nfs/dbraw/zinc/98/60/09/1070986009.db2.gz UYGHMCJTGBWVCI-GFCCVEGCSA-N 0 0 495.514 0.448 20 0 JCADRN Cc1nc(S(=O)(=O)NCCC(=O)O[C@@H](C)C(=O)NC(=O)Nc2ccc3c(c2)OCCO3)cn1C ZINC000726643813 1070985943 /nfs/dbraw/zinc/98/59/43/1070985943.db2.gz UYGHMCJTGBWVCI-LBPRGKRZSA-N 0 0 495.514 0.448 20 0 JCADRN Cc1nc(S(=O)(=O)NCCC(=O)OCC(=O)NC(=O)Nc2ccc3c(c2)OCO3)cn1C ZINC000726643926 1070986100 /nfs/dbraw/zinc/98/61/00/1070986100.db2.gz VVOHBBXASYFGGQ-UHFFFAOYSA-N 0 0 467.460 0.017 20 0 JCADRN COc1ccc(NC(C)=O)cc1NC(=O)[C@@H](C)OC(=O)CCNS(=O)(=O)c1cn(C)c(C)n1 ZINC000726643952 1070985920 /nfs/dbraw/zinc/98/59/20/1070985920.db2.gz VYNLPEQHWCYVOB-GFCCVEGCSA-N 0 0 481.531 0.934 20 0 JCADRN COc1ccc(NC(C)=O)cc1NC(=O)[C@H](C)OC(=O)CCNS(=O)(=O)c1cn(C)c(C)n1 ZINC000726643959 1070985237 /nfs/dbraw/zinc/98/52/37/1070985237.db2.gz VYNLPEQHWCYVOB-LBPRGKRZSA-N 0 0 481.531 0.934 20 0 JCADRN Cc1nc(S(=O)(=O)NCCC(=O)OCC(=O)NCCc2nc3ccccc3s2)cn1C ZINC000726643976 1070985185 /nfs/dbraw/zinc/98/51/85/1070985185.db2.gz WFYIMMJEEJYSRT-UHFFFAOYSA-N 0 0 465.557 0.909 20 0 JCADRN Cc1nc(S(=O)(=O)NCCC(=O)OCC(=O)NCc2ccc(C(=O)N3CCCC3)cc2)cn1C ZINC000726644065 1070985286 /nfs/dbraw/zinc/98/52/86/1070985286.db2.gz YENRVYXDJJMMHR-UHFFFAOYSA-N 0 0 491.570 0.493 20 0 JCADRN CNC(=O)c1cccc(NC(=O)[C@@H](C)OC(=O)CCNS(=O)(=O)c2cn(C)c(C)n2)c1 ZINC000726644068 1070985171 /nfs/dbraw/zinc/98/51/71/1070985171.db2.gz YGLKDCGKBINAPE-GFCCVEGCSA-N 0 0 451.505 0.327 20 0 JCADRN CNC(=O)c1cccc(NC(=O)[C@H](C)OC(=O)CCNS(=O)(=O)c2cn(C)c(C)n2)c1 ZINC000726644071 1070985149 /nfs/dbraw/zinc/98/51/49/1070985149.db2.gz YGLKDCGKBINAPE-LBPRGKRZSA-N 0 0 451.505 0.327 20 0 JCADRN Cc1nc(S(=O)(=O)NCCC(=O)O[C@@H](C)C(=O)N2CCN(c3ccccc3O)CC2)cn1C ZINC000726644097 1070986159 /nfs/dbraw/zinc/98/61/59/1070986159.db2.gz ZATKCMPYYIFEHU-HNNXBMFYSA-N 0 0 479.559 0.383 20 0 JCADRN Cc1nc(S(=O)(=O)NCCC(=O)O[C@H](C)C(=O)N2CCN(c3ccccc3O)CC2)cn1C ZINC000726644099 1070986069 /nfs/dbraw/zinc/98/60/69/1070986069.db2.gz ZATKCMPYYIFEHU-OAHLLOKOSA-N 0 0 479.559 0.383 20 0 JCADRN Cc1nc(S(=O)(=O)NCCC(=O)OCC(=O)Nc2ccc(Br)cn2)cn1C ZINC000726644611 1070986131 /nfs/dbraw/zinc/98/61/31/1070986131.db2.gz UNEVBTTZIRIVCL-UHFFFAOYSA-N 0 0 460.310 0.736 20 0 JCADRN C[C@@H](C(=O)OCC(=O)N1CCN(C(=O)c2cccs2)CC1)N1C(=O)NC2(CCCC2)C1=O ZINC000726649049 1070986690 /nfs/dbraw/zinc/98/66/90/1070986690.db2.gz AKIKIKODAKWGTQ-AWEZNQCLSA-N 0 0 462.528 0.829 20 0 JCADRN C[C@H](C(=O)OCC(=O)N1CCN(C(=O)c2cccs2)CC1)N1C(=O)NC2(CCCC2)C1=O ZINC000726649050 1070986789 /nfs/dbraw/zinc/98/67/89/1070986789.db2.gz AKIKIKODAKWGTQ-CQSZACIVSA-N 0 0 462.528 0.829 20 0 JCADRN COc1ccc(C)cc1NC(=O)CNC(=O)COC(=O)[C@H](C)N1C(=O)NC2(CCCC2)C1=O ZINC000726649051 1070986843 /nfs/dbraw/zinc/98/68/43/1070986843.db2.gz AKWLFAAQERLTBV-AWEZNQCLSA-N 0 0 460.487 0.855 20 0 JCADRN COc1ccc(C)cc1NC(=O)CNC(=O)COC(=O)[C@@H](C)N1C(=O)NC2(CCCC2)C1=O ZINC000726649052 1070986655 /nfs/dbraw/zinc/98/66/55/1070986655.db2.gz AKWLFAAQERLTBV-CQSZACIVSA-N 0 0 460.487 0.855 20 0 JCADRN C[C@H](C(=O)OCc1nnnn1-c1ccc(S(C)(=O)=O)cc1)N1C(=O)NC2(CCCC2)C1=O ZINC000726649418 1070986751 /nfs/dbraw/zinc/98/67/51/1070986751.db2.gz GYPMWWOMOOUOSG-GFCCVEGCSA-N 0 0 462.488 0.362 20 0 JCADRN C[C@@H](C(=O)OCc1nnnn1-c1ccc(S(C)(=O)=O)cc1)N1C(=O)NC2(CCCC2)C1=O ZINC000726649421 1070986827 /nfs/dbraw/zinc/98/68/27/1070986827.db2.gz GYPMWWOMOOUOSG-LBPRGKRZSA-N 0 0 462.488 0.362 20 0 JCADRN C[C@@H](C(=O)OCC(=O)NCC1(N2CCOCC2)CCCCC1)N1C(=O)NC2(CCCC2)C1=O ZINC000726649431 1070986703 /nfs/dbraw/zinc/98/67/03/1070986703.db2.gz HGVSLDMMXOUWGG-KRWDZBQOSA-N 0 0 464.563 0.934 20 0 JCADRN C[C@H](C(=O)OCC(=O)NCC1(N2CCOCC2)CCCCC1)N1C(=O)NC2(CCCC2)C1=O ZINC000726649432 1070986724 /nfs/dbraw/zinc/98/67/24/1070986724.db2.gz HGVSLDMMXOUWGG-QGZVFWFLSA-N 0 0 464.563 0.934 20 0 JCADRN CC(C)N(C)C(=O)C1CCN(C(=O)COC(=O)[C@H](C)N2C(=O)NC3(CCCC3)C2=O)CC1 ZINC000726649472 1070986764 /nfs/dbraw/zinc/98/67/64/1070986764.db2.gz HTUSXUVINSNEDY-HNNXBMFYSA-N 0 0 450.536 0.888 20 0 JCADRN CC(C)N(C)C(=O)C1CCN(C(=O)COC(=O)[C@@H](C)N2C(=O)NC3(CCCC3)C2=O)CC1 ZINC000726649474 1070986675 /nfs/dbraw/zinc/98/66/75/1070986675.db2.gz HTUSXUVINSNEDY-OAHLLOKOSA-N 0 0 450.536 0.888 20 0 JCADRN C[C@H](C(=O)OCC(=O)NCC(=O)Nc1ccc(F)c(F)c1)N1C(=O)NC2(CCCC2)C1=O ZINC000726650116 1070986894 /nfs/dbraw/zinc/98/68/94/1070986894.db2.gz JZMAZUBQEWWBBE-LLVKDONJSA-N 0 0 452.414 0.816 20 0 JCADRN C[C@@H](C(=O)OCC(=O)NCC(=O)Nc1ccc(F)c(F)c1)N1C(=O)NC2(CCCC2)C1=O ZINC000726650118 1070986813 /nfs/dbraw/zinc/98/68/13/1070986813.db2.gz JZMAZUBQEWWBBE-NSHDSACASA-N 0 0 452.414 0.816 20 0 JCADRN C[C@@H](C(=O)OCC(=O)NCc1ccccc1CN1CCOCC1)N1C(=O)NC2(CCCC2)C1=O ZINC000726650763 1070987449 /nfs/dbraw/zinc/98/74/49/1070987449.db2.gz AEYVGHGGTARLNV-KRWDZBQOSA-N 0 0 472.542 0.931 20 0 JCADRN C[C@H](C(=O)OCC(=O)NCc1ccccc1CN1CCOCC1)N1C(=O)NC2(CCCC2)C1=O ZINC000726650774 1070987542 /nfs/dbraw/zinc/98/75/42/1070987542.db2.gz AEYVGHGGTARLNV-QGZVFWFLSA-N 0 0 472.542 0.931 20 0 JCADRN CC(C)CN(C(=O)COC(=O)[C@@H](C)N1C(=O)NC2(CCCC2)C1=O)[C@H]1CCS(=O)(=O)C1 ZINC000726650849 1070986777 /nfs/dbraw/zinc/98/67/77/1070986777.db2.gz ASCTYYPRMQTCIA-CABCVRRESA-N 0 0 457.549 0.454 20 0 JCADRN CC(C)CN(C(=O)COC(=O)[C@H](C)N1C(=O)NC2(CCCC2)C1=O)[C@H]1CCS(=O)(=O)C1 ZINC000726650862 1070987609 /nfs/dbraw/zinc/98/76/09/1070987609.db2.gz ASCTYYPRMQTCIA-GJZGRUSLSA-N 0 0 457.549 0.454 20 0 JCADRN CC(C)CN(C(=O)COC(=O)[C@@H](C)N1C(=O)NC2(CCCC2)C1=O)[C@@H]1CCS(=O)(=O)C1 ZINC000726650864 1070987594 /nfs/dbraw/zinc/98/75/94/1070987594.db2.gz ASCTYYPRMQTCIA-HUUCEWRRSA-N 0 0 457.549 0.454 20 0 JCADRN CC(C)CN(C(=O)COC(=O)[C@H](C)N1C(=O)NC2(CCCC2)C1=O)[C@@H]1CCS(=O)(=O)C1 ZINC000726650866 1070987517 /nfs/dbraw/zinc/98/75/17/1070987517.db2.gz ASCTYYPRMQTCIA-LSDHHAIUSA-N 0 0 457.549 0.454 20 0 JCADRN C[C@H](C(=O)OCC(=O)NCc1ccc(S(C)(=O)=O)cc1)N1C(=O)NC2(CCCC2)C1=O ZINC000726651052 1070986859 /nfs/dbraw/zinc/98/68/59/1070986859.db2.gz PAEPCXWQUMZWHV-CYBMUJFWSA-N 0 0 451.501 0.503 20 0 JCADRN C[C@@H](C(=O)OCC(=O)NCc1ccc(S(C)(=O)=O)cc1)N1C(=O)NC2(CCCC2)C1=O ZINC000726651054 1070986799 /nfs/dbraw/zinc/98/67/99/1070986799.db2.gz PAEPCXWQUMZWHV-ZDUSSCGKSA-N 0 0 451.501 0.503 20 0 JCADRN C[C@H](C(=O)O[C@@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1C(=O)NC2(CCCC2)C1=O ZINC000726651593 1070987525 /nfs/dbraw/zinc/98/75/25/1070987525.db2.gz MVMTVUNMXHEDES-NEPJUHHUSA-N 0 0 452.489 0.457 20 0 JCADRN C[C@@H](OC(=O)[C@H](C)N1C(=O)NC2(CCCC2)C1=O)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000726651596 1070987467 /nfs/dbraw/zinc/98/74/67/1070987467.db2.gz MVMTVUNMXHEDES-NWDGAFQWSA-N 0 0 452.489 0.457 20 0 JCADRN C[C@H](OC(=O)[C@H](C)N1C(=O)NC2(CCCC2)C1=O)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000726651597 1070987576 /nfs/dbraw/zinc/98/75/76/1070987576.db2.gz MVMTVUNMXHEDES-RYUDHWBXSA-N 0 0 452.489 0.457 20 0 JCADRN C[C@@H](OC(=O)[C@@H](C)N1C(=O)NC2(CCCC2)C1=O)C(=O)Nc1ccc(S(N)(=O)=O)cc1 ZINC000726651598 1070987564 /nfs/dbraw/zinc/98/75/64/1070987564.db2.gz MVMTVUNMXHEDES-VXGBXAGGSA-N 0 0 452.489 0.457 20 0 JCADRN C[C@H](C(=O)OCC(=O)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1)N1C(=O)NC2(CCCC2)C1=O ZINC000726651635 1070987498 /nfs/dbraw/zinc/98/74/98/1070987498.db2.gz NBHILXPFUZPNSJ-GDBMZVCRSA-N 0 0 469.560 0.741 20 0 JCADRN C[C@@H](C(=O)OCC(=O)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1)N1C(=O)NC2(CCCC2)C1=O ZINC000726651636 1070987585 /nfs/dbraw/zinc/98/75/85/1070987585.db2.gz NBHILXPFUZPNSJ-GOEBONIOSA-N 0 0 469.560 0.741 20 0 JCADRN C[C@@H](C(=O)OCC(=O)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1)N1C(=O)NC2(CCCC2)C1=O ZINC000726651637 1070987535 /nfs/dbraw/zinc/98/75/35/1070987535.db2.gz NBHILXPFUZPNSJ-HOCLYGCPSA-N 0 0 469.560 0.741 20 0 JCADRN C[C@H](C(=O)OCC(=O)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1)N1C(=O)NC2(CCCC2)C1=O ZINC000726651638 1070988175 /nfs/dbraw/zinc/98/81/75/1070988175.db2.gz NBHILXPFUZPNSJ-ZBFHGGJFSA-N 0 0 469.560 0.741 20 0 JCADRN COC(=O)c1cc(NC(=O)COC(=O)[C@@H](C)N2C(=O)NC3(CCCC3)C2=O)cc(C(=O)OC)c1 ZINC000726651743 1070987438 /nfs/dbraw/zinc/98/74/38/1070987438.db2.gz CTCQIGHSBRJYBN-GFCCVEGCSA-N 0 0 475.454 0.995 20 0 JCADRN COC(=O)c1cc(NC(=O)COC(=O)[C@H](C)N2C(=O)NC3(CCCC3)C2=O)cc(C(=O)OC)c1 ZINC000726651746 1070987633 /nfs/dbraw/zinc/98/76/33/1070987633.db2.gz CTCQIGHSBRJYBN-LBPRGKRZSA-N 0 0 475.454 0.995 20 0 JCADRN COc1ccccc1N(CCC(N)=O)C(=O)COC(=O)[C@H](C)N1C(=O)NC2(CCCC2)C1=O ZINC000726651749 1070987620 /nfs/dbraw/zinc/98/76/20/1070987620.db2.gz CTYZFLKUPOPHKG-AWEZNQCLSA-N 0 0 460.487 0.700 20 0 JCADRN COc1ccccc1N(CCC(N)=O)C(=O)COC(=O)[C@@H](C)N1C(=O)NC2(CCCC2)C1=O ZINC000726651752 1070987483 /nfs/dbraw/zinc/98/74/83/1070987483.db2.gz CTYZFLKUPOPHKG-CQSZACIVSA-N 0 0 460.487 0.700 20 0 JCADRN C[C@H](C(=O)OCC(=O)NC(=O)Nc1ccc2c(c1)OCCO2)N1C(=O)NC2(CCCC2)C1=O ZINC000726652302 1070987644 /nfs/dbraw/zinc/98/76/44/1070987644.db2.gz BWVLKUAGZNVPEG-GFCCVEGCSA-N 0 0 460.443 0.902 20 0 JCADRN C[C@@H](C(=O)OCC(=O)NC(=O)Nc1ccc2c(c1)OCCO2)N1C(=O)NC2(CCCC2)C1=O ZINC000726652304 1070987419 /nfs/dbraw/zinc/98/74/19/1070987419.db2.gz BWVLKUAGZNVPEG-LBPRGKRZSA-N 0 0 460.443 0.902 20 0 JCADRN C[C@H](C(=O)OCC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)N1C(=O)NC2(CCCC2)C1=O ZINC000726652343 1070987477 /nfs/dbraw/zinc/98/74/77/1070987477.db2.gz OINOKJCLEYEERF-CYBMUJFWSA-N 0 0 466.516 0.672 20 0 JCADRN C[C@@H](C(=O)OCC(=O)Nc1cccc(S(=O)(=O)N(C)C)c1)N1C(=O)NC2(CCCC2)C1=O ZINC000726652346 1070987510 /nfs/dbraw/zinc/98/75/10/1070987510.db2.gz OINOKJCLEYEERF-ZDUSSCGKSA-N 0 0 466.516 0.672 20 0 JCADRN C[C@H](C(=O)OCC(=O)N1CCc2cc(S(N)(=O)=O)ccc21)N1C(=O)NC2(CCCC2)C1=O ZINC000726652627 1070988195 /nfs/dbraw/zinc/98/81/95/1070988195.db2.gz FTCNIICFLCDKCB-GFCCVEGCSA-N 0 0 464.500 0.019 20 0 JCADRN C[C@@H](C(=O)OCC(=O)N1CCc2cc(S(N)(=O)=O)ccc21)N1C(=O)NC2(CCCC2)C1=O ZINC000726652630 1070988107 /nfs/dbraw/zinc/98/81/07/1070988107.db2.gz FTCNIICFLCDKCB-LBPRGKRZSA-N 0 0 464.500 0.019 20 0 JCADRN CC(C)[C@@H](OC(=O)[C@H](C)N1C(=O)NC2(CCCC2)C1=O)C(=O)N1CCN(c2ncccn2)CC1 ZINC000726652670 1070988165 /nfs/dbraw/zinc/98/81/65/1070988165.db2.gz GIDZRHIXKMTSCP-DLBZAZTESA-N 0 0 472.546 0.946 20 0 JCADRN CC(C)[C@@H](OC(=O)[C@@H](C)N1C(=O)NC2(CCCC2)C1=O)C(=O)N1CCN(c2ncccn2)CC1 ZINC000726652673 1070988129 /nfs/dbraw/zinc/98/81/29/1070988129.db2.gz GIDZRHIXKMTSCP-IAGOWNOFSA-N 0 0 472.546 0.946 20 0 JCADRN CC(C)[C@H](OC(=O)[C@H](C)N1C(=O)NC2(CCCC2)C1=O)C(=O)N1CCN(c2ncccn2)CC1 ZINC000726652675 1070988216 /nfs/dbraw/zinc/98/82/16/1070988216.db2.gz GIDZRHIXKMTSCP-IRXDYDNUSA-N 0 0 472.546 0.946 20 0 JCADRN CC(C)[C@H](OC(=O)[C@@H](C)N1C(=O)NC2(CCCC2)C1=O)C(=O)N1CCN(c2ncccn2)CC1 ZINC000726652677 1070988205 /nfs/dbraw/zinc/98/82/05/1070988205.db2.gz GIDZRHIXKMTSCP-SJORKVTESA-N 0 0 472.546 0.946 20 0 JCADRN C[C@H](OC(=O)[C@H](C)N1C(=O)NC2(CCCC2)C1=O)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000726653028 1070988162 /nfs/dbraw/zinc/98/81/62/1070988162.db2.gz PZWXPMDVOKIMMW-KBPBESRZSA-N 0 0 480.543 0.178 20 0 JCADRN C[C@H](C(=O)O[C@@H](C)C(=O)NCCc1ccc(S(N)(=O)=O)cc1)N1C(=O)NC2(CCCC2)C1=O ZINC000726653029 1070988142 /nfs/dbraw/zinc/98/81/42/1070988142.db2.gz PZWXPMDVOKIMMW-KGLIPLIRSA-N 0 0 480.543 0.178 20 0 JCADRN C[C@@H](OC(=O)[C@H](C)N1C(=O)NC2(CCCC2)C1=O)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000726653030 1070988200 /nfs/dbraw/zinc/98/82/00/1070988200.db2.gz PZWXPMDVOKIMMW-UONOGXRCSA-N 0 0 480.543 0.178 20 0 JCADRN C[C@@H](OC(=O)[C@@H](C)N1C(=O)NC2(CCCC2)C1=O)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000726653031 1070988189 /nfs/dbraw/zinc/98/81/89/1070988189.db2.gz PZWXPMDVOKIMMW-ZIAGYGMSSA-N 0 0 480.543 0.178 20 0 JCADRN C[C@@H](C(=O)OCC(=O)c1c(N)n(Cc2ccccc2)c(=O)n(C)c1=O)N1C(=O)NC2(CCCC2)C1=O ZINC000726653138 1070988213 /nfs/dbraw/zinc/98/82/13/1070988213.db2.gz GSXMWXBBJCHPSE-AWEZNQCLSA-N 0 0 497.508 0.157 20 0 JCADRN C[C@H](C(=O)OCC(=O)c1c(N)n(Cc2ccccc2)c(=O)n(C)c1=O)N1C(=O)NC2(CCCC2)C1=O ZINC000726653139 1070988134 /nfs/dbraw/zinc/98/81/34/1070988134.db2.gz GSXMWXBBJCHPSE-CQSZACIVSA-N 0 0 497.508 0.157 20 0 JCADRN C[C@H](C(=O)OCCCOC(=O)[C@H](C)N1C(=O)NC2(CCCC2)C1=O)N1C(=O)NC2(CCCC2)C1=O ZINC000726653172 1070988178 /nfs/dbraw/zinc/98/81/78/1070988178.db2.gz HAARLGBYILHAEQ-GASCZTMLSA-N 0 0 492.529 0.969 20 0 JCADRN C[C@@H](C(=O)OCCCOC(=O)[C@H](C)N1C(=O)NC2(CCCC2)C1=O)N1C(=O)NC2(CCCC2)C1=O ZINC000726653173 1070988151 /nfs/dbraw/zinc/98/81/51/1070988151.db2.gz HAARLGBYILHAEQ-GJZGRUSLSA-N 0 0 492.529 0.969 20 0 JCADRN C[C@H](C(=O)OCCCOC(=O)[C@@H](C)N1C(=O)NC2(CCCC2)C1=O)N1C(=O)NC2(CCCC2)C1=O ZINC000726653175 1070988184 /nfs/dbraw/zinc/98/81/84/1070988184.db2.gz HAARLGBYILHAEQ-HUUCEWRRSA-N 0 0 492.529 0.969 20 0 JCADRN CCCN(C(=O)[C@H](C)OC(=O)[C@@H](C)N1C(=O)NC2(CCCC2)C1=O)[C@H]1CCS(=O)(=O)C1 ZINC000726653406 1070988155 /nfs/dbraw/zinc/98/81/55/1070988155.db2.gz HCDIIOGHFJSEOS-ILXRZTDVSA-N 0 0 457.549 0.597 20 0 JCADRN CCCN(C(=O)[C@H](C)OC(=O)[C@H](C)N1C(=O)NC2(CCCC2)C1=O)[C@H]1CCS(=O)(=O)C1 ZINC000726653407 1070988171 /nfs/dbraw/zinc/98/81/71/1070988171.db2.gz HCDIIOGHFJSEOS-KKUMJFAQSA-N 0 0 457.549 0.597 20 0 JCADRN CCCN(C(=O)[C@H](C)OC(=O)[C@@H](C)N1C(=O)NC2(CCCC2)C1=O)[C@@H]1CCS(=O)(=O)C1 ZINC000726653408 1070988148 /nfs/dbraw/zinc/98/81/48/1070988148.db2.gz HCDIIOGHFJSEOS-QLFBSQMISA-N 0 0 457.549 0.597 20 0 JCADRN CCCN(C(=O)[C@H](C)OC(=O)[C@H](C)N1C(=O)NC2(CCCC2)C1=O)[C@@H]1CCS(=O)(=O)C1 ZINC000726653409 1070988121 /nfs/dbraw/zinc/98/81/21/1070988121.db2.gz HCDIIOGHFJSEOS-SOUVJXGZSA-N 0 0 457.549 0.597 20 0 JCADRN CNS(=O)(=O)c1cc(NC(=O)COC(=O)[C@@H](C)N2C(=O)NC3(CCCC3)C2=O)ccc1C ZINC000726653573 1070988733 /nfs/dbraw/zinc/98/87/33/1070988733.db2.gz IVJKBYRZOWLLSP-CYBMUJFWSA-N 0 0 466.516 0.638 20 0 JCADRN C[C@@H](C(=O)OCC(=O)NCc1cccc(C(=O)NC2CC2)c1)N1C(=O)NC2(CCCC2)C1=O ZINC000726653593 1070989394 /nfs/dbraw/zinc/98/93/94/1070989394.db2.gz XCVBACLSWGFITG-AWEZNQCLSA-N 0 0 456.499 0.991 20 0 JCADRN C[C@H](C(=O)OCC(=O)NCc1cccc(C(=O)NC2CC2)c1)N1C(=O)NC2(CCCC2)C1=O ZINC000726653594 1070989402 /nfs/dbraw/zinc/98/94/02/1070989402.db2.gz XCVBACLSWGFITG-CQSZACIVSA-N 0 0 456.499 0.991 20 0 JCADRN CNS(=O)(=O)c1cc(NC(=O)COC(=O)[C@H](C)N2C(=O)NC3(CCCC3)C2=O)ccc1C ZINC000726653597 1070989412 /nfs/dbraw/zinc/98/94/12/1070989412.db2.gz IVJKBYRZOWLLSP-ZDUSSCGKSA-N 0 0 466.516 0.638 20 0 JCADRN Cc1ccc(NC(=O)COC(=O)[C@@H](C)N2C(=O)NC3(CCCC3)C2=O)cc1S(N)(=O)=O ZINC000726653834 1070989433 /nfs/dbraw/zinc/98/94/33/1070989433.db2.gz UOJPKJWDAAMKNU-GFCCVEGCSA-N 0 0 452.489 0.377 20 0 JCADRN Cc1ccc(NC(=O)COC(=O)[C@H](C)N2C(=O)NC3(CCCC3)C2=O)cc1S(N)(=O)=O ZINC000726653835 1070989361 /nfs/dbraw/zinc/98/93/61/1070989361.db2.gz UOJPKJWDAAMKNU-LBPRGKRZSA-N 0 0 452.489 0.377 20 0 JCADRN C[C@H](C(=O)OCC(=O)N1c2ccc(S(N)(=O)=O)cc2C[C@H]1C)N1C(=O)NC2(CCCC2)C1=O ZINC000726653987 1070989347 /nfs/dbraw/zinc/98/93/47/1070989347.db2.gz KIZQRSNNRSXXPO-CHWSQXEVSA-N 0 0 478.527 0.408 20 0 JCADRN C[C@@H](C(=O)OCC(=O)N1c2ccc(S(N)(=O)=O)cc2C[C@H]1C)N1C(=O)NC2(CCCC2)C1=O ZINC000726653988 1070989375 /nfs/dbraw/zinc/98/93/75/1070989375.db2.gz KIZQRSNNRSXXPO-OLZOCXBDSA-N 0 0 478.527 0.408 20 0 JCADRN C[C@H](C(=O)OCC(=O)N1c2ccc(S(N)(=O)=O)cc2C[C@@H]1C)N1C(=O)NC2(CCCC2)C1=O ZINC000726653990 1070989417 /nfs/dbraw/zinc/98/94/17/1070989417.db2.gz KIZQRSNNRSXXPO-QWHCGFSZSA-N 0 0 478.527 0.408 20 0 JCADRN C[C@@H](C(=O)OCC(=O)N1c2ccc(S(N)(=O)=O)cc2C[C@@H]1C)N1C(=O)NC2(CCCC2)C1=O ZINC000726653991 1070989421 /nfs/dbraw/zinc/98/94/21/1070989421.db2.gz KIZQRSNNRSXXPO-STQMWFEESA-N 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CCc1ccccc1NC(=O)CN1CCN(C(=O)COC(=O)c2c(OC)ncnc2OC)CC1 ZINC000729869121 1070079492 /nfs/dbraw/zinc/07/94/92/1070079492.db2.gz XOQVHBWBXXUEAD-UHFFFAOYSA-N 0 0 471.514 0.996 20 0 JCADRN C[C@@H](OC(=O)CC1(CC(=O)O[C@@H](C)C(=O)N2CCNC2=O)CCCCC1)C(=O)N1CCNC1=O ZINC000729869230 1070080839 /nfs/dbraw/zinc/08/08/39/1070080839.db2.gz AHUIPLQIWNHPAS-GASCZTMLSA-N 0 0 480.518 0.684 20 0 JCADRN C[C@H](OC(=O)CC1(CC(=O)O[C@@H](C)C(=O)N2CCNC2=O)CCCCC1)C(=O)N1CCNC1=O ZINC000729869231 1070080929 /nfs/dbraw/zinc/08/09/29/1070080929.db2.gz AHUIPLQIWNHPAS-GJZGRUSLSA-N 0 0 480.518 0.684 20 0 JCADRN C[C@@H](OC(=O)CC1(CC(=O)O[C@H](C)C(=O)N2CCNC2=O)CCCCC1)C(=O)N1CCNC1=O ZINC000729869232 1070080999 /nfs/dbraw/zinc/08/09/99/1070080999.db2.gz AHUIPLQIWNHPAS-HUUCEWRRSA-N 0 0 480.518 0.684 20 0 JCADRN CCN(C(=O)COC(=O)c1c(OC)ncnc1OC)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC000729869366 1070079547 /nfs/dbraw/zinc/07/95/47/1070079547.db2.gz ZQDNPXPAUWLYCW-UHFFFAOYSA-N 0 0 484.469 0.597 20 0 JCADRN O=C(CC1(CC(=O)OCC(=O)N2CCOCC2)CCCCC1)OCC(=O)N1CCOCC1 ZINC000729869436 1070079074 /nfs/dbraw/zinc/07/90/74/1070079074.db2.gz HQHPMLWHSZJSBZ-UHFFFAOYSA-N 0 0 454.520 0.521 20 0 JCADRN CNC(=O)NC(=O)[C@@H](C)OC(=O)CC1(CC(=O)O[C@@H](C)C(=O)NC(=O)NC)CCCCC1 ZINC000729869447 1070079014 /nfs/dbraw/zinc/07/90/14/1070079014.db2.gz IEWSHGNKBWCBHX-BETUJISGSA-N 0 0 456.496 0.492 20 0 JCADRN CNC(=O)NC(=O)[C@@H](C)OC(=O)CC1(CC(=O)O[C@H](C)C(=O)NC(=O)NC)CCCCC1 ZINC000729869448 1070079624 /nfs/dbraw/zinc/07/96/24/1070079624.db2.gz IEWSHGNKBWCBHX-CHWSQXEVSA-N 0 0 456.496 0.492 20 0 JCADRN CNC(=O)NC(=O)[C@H](C)OC(=O)CC1(CC(=O)O[C@@H](C)C(=O)NC(=O)NC)CCCCC1 ZINC000729869449 1070079586 /nfs/dbraw/zinc/07/95/86/1070079586.db2.gz IEWSHGNKBWCBHX-STQMWFEESA-N 0 0 456.496 0.492 20 0 JCADRN C[C@H](OC(=O)CC1(CC(=O)O[C@@H](C)C(=O)N2CCNC2=O)CCCC1)C(=O)N1CCNC1=O ZINC000729869896 1070080618 /nfs/dbraw/zinc/08/06/18/1070080618.db2.gz MHCLMZKOMLNXER-KBPBESRZSA-N 0 0 466.491 0.294 20 0 JCADRN C[C@@H](OC(=O)CC1(CC(=O)O[C@@H](C)C(=O)N2CCNC2=O)CCCC1)C(=O)N1CCNC1=O ZINC000729869897 1070080984 /nfs/dbraw/zinc/08/09/84/1070080984.db2.gz MHCLMZKOMLNXER-OKILXGFUSA-N 0 0 466.491 0.294 20 0 JCADRN C[C@@H](OC(=O)CC1(CC(=O)O[C@H](C)C(=O)N2CCNC2=O)CCCC1)C(=O)N1CCNC1=O ZINC000729869898 1070081249 /nfs/dbraw/zinc/08/12/49/1070081249.db2.gz MHCLMZKOMLNXER-ZIAGYGMSSA-N 0 0 466.491 0.294 20 0 JCADRN C[C@@H]1CN(C(=O)COC(=O)CC2(CC(=O)OCC(=O)N3CCO[C@@H](C)C3)CCCC2)CCO1 ZINC000729870741 1070081305 /nfs/dbraw/zinc/08/13/05/1070081305.db2.gz SMIIDEBDWLPVPK-HDICACEKSA-N 0 0 468.547 0.908 20 0 JCADRN C[C@@H]1CN(C(=O)COC(=O)CC2(CC(=O)OCC(=O)N3CCO[C@H](C)C3)CCCC2)CCO1 ZINC000729870742 1070081484 /nfs/dbraw/zinc/08/14/84/1070081484.db2.gz SMIIDEBDWLPVPK-QZTJIDSGSA-N 0 0 468.547 0.908 20 0 JCADRN C[C@H]1CN(C(=O)COC(=O)CC2(CC(=O)OCC(=O)N3CCO[C@@H](C)C3)CCCC2)CCO1 ZINC000729870744 1070081706 /nfs/dbraw/zinc/08/17/06/1070081706.db2.gz SMIIDEBDWLPVPK-ROUUACIJSA-N 0 0 468.547 0.908 20 0 JCADRN CN(C)S(=O)(=O)c1ccc(C[S@@](=O)CC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)o1 ZINC000729872509 1070081856 /nfs/dbraw/zinc/08/18/56/1070081856.db2.gz PSFOFWHTXXWTOV-MUUNZHRXSA-N 0 0 477.586 0.668 20 0 JCADRN CN(C)S(=O)(=O)c1ccc(C[S@](=O)CC(=O)Nc2cccc(S(=O)(=O)N(C)C)c2)o1 ZINC000729872512 1070082002 /nfs/dbraw/zinc/08/20/02/1070082002.db2.gz PSFOFWHTXXWTOV-NDEPHWFRSA-N 0 0 477.586 0.668 20 0 JCADRN CN(C)S(=O)(=O)c1ccc(C[S@](=O)CC(=O)N(C2CCCC2)[C@H]2CCS(=O)(=O)C2)o1 ZINC000729873215 1070082311 /nfs/dbraw/zinc/08/23/11/1070082311.db2.gz SXPIHBAUSCLKFV-HBIPHATFSA-N 0 0 480.630 0.737 20 0 JCADRN CN(C)S(=O)(=O)c1ccc(C[S@](=O)CC(=O)N(C2CCCC2)[C@@H]2CCS(=O)(=O)C2)o1 ZINC000729873216 1070082035 /nfs/dbraw/zinc/08/20/35/1070082035.db2.gz SXPIHBAUSCLKFV-JMGYQRAPSA-N 0 0 480.630 0.737 20 0 JCADRN CN(C)S(=O)(=O)c1ccc(C[S@@](=O)CC(=O)N(C2CCCC2)[C@H]2CCS(=O)(=O)C2)o1 ZINC000729873217 1070020132 /nfs/dbraw/zinc/02/01/32/1070020132.db2.gz SXPIHBAUSCLKFV-OHZJNBGDSA-N 0 0 480.630 0.737 20 0 JCADRN 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COc1ccc(-c2nnc(S[C@@H](C)C(=O)N(C)[C@@H]3CCS(=O)(=O)C3)n2N)c(OC)c1 ZINC000729875908 1070083915 /nfs/dbraw/zinc/08/39/15/1070083915.db2.gz DRNURZAJGUJIMG-NWDGAFQWSA-N 0 0 455.562 0.802 20 0 JCADRN COc1ccc(-c2nnc(S[C@@H](C)C(=O)N(C)[C@H]3CCS(=O)(=O)C3)n2N)c(OC)c1 ZINC000729875910 1070083745 /nfs/dbraw/zinc/08/37/45/1070083745.db2.gz DRNURZAJGUJIMG-RYUDHWBXSA-N 0 0 455.562 0.802 20 0 JCADRN COc1ccc(-c2nnc(S[C@H](C)C(=O)N(C)[C@@H]3CCS(=O)(=O)C3)n2N)c(OC)c1 ZINC000729875911 1070083780 /nfs/dbraw/zinc/08/37/80/1070083780.db2.gz DRNURZAJGUJIMG-VXGBXAGGSA-N 0 0 455.562 0.802 20 0 JCADRN CCCCN(C(=O)CS(=O)(=O)Cc1ccc(S(=O)(=O)N(C)C)o1)[C@H]1CCS(=O)(=O)C1 ZINC000729876234 1070084511 /nfs/dbraw/zinc/08/45/11/1070084511.db2.gz GQIZZCDVYAOFNJ-AWEZNQCLSA-N 0 0 484.618 0.261 20 0 JCADRN CCCCN(C(=O)CS(=O)(=O)Cc1ccc(S(=O)(=O)N(C)C)o1)[C@@H]1CCS(=O)(=O)C1 ZINC000729876237 1070084625 /nfs/dbraw/zinc/08/46/25/1070084625.db2.gz GQIZZCDVYAOFNJ-CQSZACIVSA-N 0 0 484.618 0.261 20 0 JCADRN C[C@H](OC(=O)CCN1C(=O)NC2(CCCC2)C1=O)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000729876381 1070083207 /nfs/dbraw/zinc/08/32/07/1070083207.db2.gz LYMSKKVZGKSGKX-AWEZNQCLSA-N 0 0 480.543 0.179 20 0 JCADRN C[C@@H](OC(=O)CCN1C(=O)NC2(CCCC2)C1=O)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000729876384 1070083255 /nfs/dbraw/zinc/08/32/55/1070083255.db2.gz LYMSKKVZGKSGKX-CQSZACIVSA-N 0 0 480.543 0.179 20 0 JCADRN CCCCN(C(=O)CS(=O)(=O)CCN1C(=O)c2ccccc2C1=O)[C@H]1CCS(=O)(=O)C1 ZINC000729876502 1070083943 /nfs/dbraw/zinc/08/39/43/1070083943.db2.gz IWLNKTOFVHRJQR-HNNXBMFYSA-N 0 0 470.569 0.513 20 0 JCADRN CCCCN(C(=O)CS(=O)(=O)CCN1C(=O)c2ccccc2C1=O)[C@@H]1CCS(=O)(=O)C1 ZINC000729876503 1070083972 /nfs/dbraw/zinc/08/39/72/1070083972.db2.gz IWLNKTOFVHRJQR-OAHLLOKOSA-N 0 0 470.569 0.513 20 0 JCADRN CCN(C(=O)[C@H](C)S(=O)(=O)CCN1C(=O)c2ccccc2C1=O)[C@H]1CCS(=O)(=O)C1 ZINC000729876585 1070083412 /nfs/dbraw/zinc/08/34/12/1070083412.db2.gz LMLIJISNXGVQNU-KBPBESRZSA-N 0 0 456.542 0.122 20 0 JCADRN CCN(C(=O)[C@@H](C)S(=O)(=O)CCN1C(=O)c2ccccc2C1=O)[C@H]1CCS(=O)(=O)C1 ZINC000729876587 1070083373 /nfs/dbraw/zinc/08/33/73/1070083373.db2.gz LMLIJISNXGVQNU-KGLIPLIRSA-N 0 0 456.542 0.122 20 0 JCADRN CCN(C(=O)[C@H](C)S(=O)(=O)CCN1C(=O)c2ccccc2C1=O)[C@@H]1CCS(=O)(=O)C1 ZINC000729876589 1070083281 /nfs/dbraw/zinc/08/32/81/1070083281.db2.gz LMLIJISNXGVQNU-UONOGXRCSA-N 0 0 456.542 0.122 20 0 JCADRN CCN(C(=O)[C@@H](C)S(=O)(=O)CCN1C(=O)c2ccccc2C1=O)[C@@H]1CCS(=O)(=O)C1 ZINC000729876591 1070083318 /nfs/dbraw/zinc/08/33/18/1070083318.db2.gz LMLIJISNXGVQNU-ZIAGYGMSSA-N 0 0 456.542 0.122 20 0 JCADRN CN(C)S(=O)(=O)c1ccc(CS(=O)(=O)CC(=O)N(C2CCCC2)[C@H]2CCS(=O)(=O)C2)o1 ZINC000729876832 1070084646 /nfs/dbraw/zinc/08/46/46/1070084646.db2.gz OLZDJJGKRMGRKF-HNNXBMFYSA-N 0 0 496.629 0.403 20 0 JCADRN CN(C)S(=O)(=O)c1ccc(CS(=O)(=O)CC(=O)N(C2CCCC2)[C@@H]2CCS(=O)(=O)C2)o1 ZINC000729876840 1070085004 /nfs/dbraw/zinc/08/50/04/1070085004.db2.gz OLZDJJGKRMGRKF-OAHLLOKOSA-N 0 0 496.629 0.403 20 0 JCADRN C[C@@H](OC(=O)CCN1C(=O)NC2(CCCC2)C1=O)C(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000729876855 1070085015 /nfs/dbraw/zinc/08/50/15/1070085015.db2.gz VYQAUCBHICXNFL-GFCCVEGCSA-N 0 0 452.489 0.459 20 0 JCADRN C[C@H](OC(=O)CCN1C(=O)NC2(CCCC2)C1=O)C(=O)Nc1cccc(S(N)(=O)=O)c1 ZINC000729876856 1070084974 /nfs/dbraw/zinc/08/49/74/1070084974.db2.gz VYQAUCBHICXNFL-LBPRGKRZSA-N 0 0 452.489 0.459 20 0 JCADRN O=C(CS(=O)(=O)CCN1C(=O)c2ccccc2C1=O)N(C1CCCC1)[C@H]1CCS(=O)(=O)C1 ZINC000729876921 1070084930 /nfs/dbraw/zinc/08/49/30/1070084930.db2.gz PYUPFRMNQXMCNH-INIZCTEOSA-N 0 0 482.580 0.656 20 0 JCADRN O=C(CS(=O)(=O)CCN1C(=O)c2ccccc2C1=O)N(C1CCCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000729876922 1070085137 /nfs/dbraw/zinc/08/51/37/1070085137.db2.gz PYUPFRMNQXMCNH-MRXNPFEDSA-N 0 0 482.580 0.656 20 0 JCADRN COc1cc(OC)c(OC)cc1CNC(=O)CS(=O)(=O)CCN1C(=O)NC(C)(C)C1=O ZINC000729876947 1070085127 /nfs/dbraw/zinc/08/51/27/1070085127.db2.gz RHVNOELVUPROTD-UHFFFAOYSA-N 0 0 457.505 0.074 20 0 JCADRN 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CC(C)(C)NC(=O)CNC(=O)COC(=O)[C@@H]1CCCN(S(=O)(=O)Cc2ccccc2)C1 ZINC000730616570 1069763996 /nfs/dbraw/zinc/76/39/96/1069763996.db2.gz XMSMEZFNBYYJPW-QGZVFWFLSA-N 0 0 453.561 0.803 20 0 JCADRN CC(=O)N1CCC(NC(=O)COC(=O)[C@H]2CCCN(S(=O)(=O)Cc3ccccc3)C2)CC1 ZINC000730616877 1069763976 /nfs/dbraw/zinc/76/39/76/1069763976.db2.gz JRZISYJUOVLDQB-IBGZPJMESA-N 0 0 465.572 0.899 20 0 JCADRN CC(=O)N1CCC(NC(=O)COC(=O)[C@@H]2CCCN(S(=O)(=O)Cc3ccccc3)C2)CC1 ZINC000730616878 1069763873 /nfs/dbraw/zinc/76/38/73/1069763873.db2.gz JRZISYJUOVLDQB-LJQANCHMSA-N 0 0 465.572 0.899 20 0 JCADRN CC(C)[C@H](OC(=O)[C@H]1CCN(c2ccc3c(c2)OCCO3)C1=O)C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000730616950 1069763916 /nfs/dbraw/zinc/76/39/16/1069763916.db2.gz AJIFFOSQTADIPY-ALKREAHSSA-N 0 0 480.539 0.682 20 0 JCADRN CC(C)[C@H](OC(=O)[C@@H]1CCN(c2ccc3c(c2)OCCO3)C1=O)C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000730616951 1069763946 /nfs/dbraw/zinc/76/39/46/1069763946.db2.gz AJIFFOSQTADIPY-GMBSWORKSA-N 0 0 480.539 0.682 20 0 JCADRN 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CNC(=O)[C@@H](NC(=O)COC(=O)CNC(=O)[C@H]1c2ccccc2C(=O)N1C1CC1)c1ccccc1 ZINC000746746154 1070058069 /nfs/dbraw/zinc/05/80/69/1070058069.db2.gz QKHIXZLTLDZTDO-FCHUYYIVSA-N 0 0 478.505 0.609 20 0 JCADRN CNC(=O)[C@H](NC(=O)COC(=O)CNC(=O)[C@H]1c2ccccc2C(=O)N1C1CC1)c1ccccc1 ZINC000746746157 1070057956 /nfs/dbraw/zinc/05/79/56/1070057956.db2.gz QKHIXZLTLDZTDO-FGZHOGPDSA-N 0 0 478.505 0.609 20 0 JCADRN CNC(=O)[C@@H](NC(=O)COC(=O)CNC(=O)[C@@H]1c2ccccc2C(=O)N1C1CC1)c1ccccc1 ZINC000746746161 1070057798 /nfs/dbraw/zinc/05/77/98/1070057798.db2.gz QKHIXZLTLDZTDO-VXKWHMMOSA-N 0 0 478.505 0.609 20 0 JCADRN CNC(=O)[C@H](NC(=O)COC(=O)CNC(=O)[C@@H]1c2ccccc2C(=O)N1C1CC1)c1ccccc1 ZINC000746746164 1070057919 /nfs/dbraw/zinc/05/79/19/1070057919.db2.gz QKHIXZLTLDZTDO-YADHBBJMSA-N 0 0 478.505 0.609 20 0 JCADRN CCOCCOCC(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 ZINC000746746196 1070057903 /nfs/dbraw/zinc/05/79/03/1070057903.db2.gz XBGYGVLIOUELDU-UHFFFAOYSA-N 0 0 466.915 0.908 20 0 JCADRN O=C(CNC(=O)[C@@H]1c2ccccc2C(=O)N1C1CC1)OCC(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000746746324 1070057994 /nfs/dbraw/zinc/05/79/94/1070057994.db2.gz RRHGACNIDNLZPN-NRFANRHFSA-N 0 0 468.510 0.086 20 0 JCADRN O=C(CNC(=O)[C@H]1c2ccccc2C(=O)N1C1CC1)OCC(=O)N1CCN(C(=O)C2CC2)CC1 ZINC000746746333 1070057864 /nfs/dbraw/zinc/05/78/64/1070057864.db2.gz RRHGACNIDNLZPN-OAQYLSRUSA-N 0 0 468.510 0.086 20 0 JCADRN O=C(CNC(=O)[C@H]1c2ccccc2C(=O)N1C1CC1)OCC(=O)N1CCN(Cc2ccco2)CC1 ZINC000746746335 1070057885 /nfs/dbraw/zinc/05/78/85/1070057885.db2.gz RRMAOHPBFJCVOI-HSZRJFAPSA-N 0 0 480.521 0.943 20 0 JCADRN O=C(CNC(=O)[C@@H]1c2ccccc2C(=O)N1C1CC1)OCC(=O)N1CCN(Cc2ccco2)CC1 ZINC000746746338 1070058088 /nfs/dbraw/zinc/05/80/88/1070058088.db2.gz RRMAOHPBFJCVOI-QHCPKHFHSA-N 0 0 480.521 0.943 20 0 JCADRN CC(C)[C@H](OC(=O)CNC(=O)[C@@H]1c2ccccc2C(=O)N1C1CC1)C(=O)N1CCC[C@H](C(N)=O)C1 ZINC000746746370 1070057940 /nfs/dbraw/zinc/05/79/40/1070057940.db2.gz SENXUQUXEJVKRS-JHVJFLLYSA-N 0 0 484.553 0.754 20 0 JCADRN CC(C)[C@H](OC(=O)CNC(=O)[C@H]1c2ccccc2C(=O)N1C1CC1)C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000746746371 1070058035 /nfs/dbraw/zinc/05/80/35/1070058035.db2.gz SENXUQUXEJVKRS-LPTQZCDUSA-N 0 0 484.553 0.754 20 0 JCADRN CC(C)[C@H](OC(=O)CNC(=O)[C@@H]1c2ccccc2C(=O)N1C1CC1)C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000746746372 1070058023 /nfs/dbraw/zinc/05/80/23/1070058023.db2.gz SENXUQUXEJVKRS-NQERJWCQSA-N 0 0 484.553 0.754 20 0 JCADRN CC(C)[C@H](OC(=O)CNC(=O)[C@H]1c2ccccc2C(=O)N1C1CC1)C(=O)N1CCC[C@H](C(N)=O)C1 ZINC000746746373 1070058052 /nfs/dbraw/zinc/05/80/52/1070058052.db2.gz SENXUQUXEJVKRS-RVHYNSKXSA-N 0 0 484.553 0.754 20 0 JCADRN COC(=O)C1CCN(C(=O)COC(=O)CNC(=O)[C@@H]2c3ccccc3C(=O)N2C2CC2)CC1 ZINC000746746928 1070060095 /nfs/dbraw/zinc/06/00/95/1070060095.db2.gz QGVJLPLYDRKCKD-FQEVSTJZSA-N 0 0 457.483 0.417 20 0 JCADRN COC(=O)C1CCN(C(=O)COC(=O)CNC(=O)[C@H]2c3ccccc3C(=O)N2C2CC2)CC1 ZINC000746746933 1070060211 /nfs/dbraw/zinc/06/02/11/1070060211.db2.gz QGVJLPLYDRKCKD-HXUWFJFHSA-N 0 0 457.483 0.417 20 0 JCADRN CCOCCOCC(=O)OCC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1 ZINC000746747091 1070058874 /nfs/dbraw/zinc/05/88/74/1070058874.db2.gz ZKTADCUURVFPPV-UHFFFAOYSA-N 0 0 468.572 0.995 20 0 JCADRN CCNC(=O)NC(=O)COC(=O)CNC(=O)[C@@H]1c2ccccc2C(=O)N1Cc1ccccc1 ZINC000746747094 1070058894 /nfs/dbraw/zinc/05/88/94/1070058894.db2.gz ZMBWYTWVBIVJPD-FQEVSTJZSA-N 0 0 452.467 0.889 20 0 JCADRN CCNC(=O)NC(=O)COC(=O)CNC(=O)[C@H]1c2ccccc2C(=O)N1Cc1ccccc1 ZINC000746747095 1070058949 /nfs/dbraw/zinc/05/89/49/1070058949.db2.gz ZMBWYTWVBIVJPD-HXUWFJFHSA-N 0 0 452.467 0.889 20 0 JCADRN C[C@H](OC(=O)CNC(=O)[C@H]1c2ccccc2C(=O)N1C1CC1)C(=O)N1CCC[C@H](C(N)=O)C1 ZINC000746747472 1070058928 /nfs/dbraw/zinc/05/89/28/1070058928.db2.gz SFHXRUDMIFWAFZ-CKFHNAJUSA-N 0 0 456.499 0.118 20 0 JCADRN C[C@H](OC(=O)CNC(=O)[C@H]1c2ccccc2C(=O)N1C1CC1)C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000746747473 1070059062 /nfs/dbraw/zinc/05/90/62/1070059062.db2.gz SFHXRUDMIFWAFZ-IQUTYRLHSA-N 0 0 456.499 0.118 20 0 JCADRN C[C@H](OC(=O)CNC(=O)[C@@H]1c2ccccc2C(=O)N1C1CC1)C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000746747474 1070059095 /nfs/dbraw/zinc/05/90/95/1070059095.db2.gz SFHXRUDMIFWAFZ-KSMMKXTCSA-N 0 0 456.499 0.118 20 0 JCADRN C[C@H](OC(=O)CNC(=O)[C@@H]1c2ccccc2C(=O)N1C1CC1)C(=O)N1CCC[C@H](C(N)=O)C1 ZINC000746747475 1070059114 /nfs/dbraw/zinc/05/91/14/1070059114.db2.gz SFHXRUDMIFWAFZ-NJSLBKSFSA-N 0 0 456.499 0.118 20 0 JCADRN C[C@H](OC(=O)CNC(=O)[C@H]1c2ccccc2C(=O)N1C1CC1)C(=O)Nc1ncnc2[nH]cnc21 ZINC000746747488 1070059146 /nfs/dbraw/zinc/05/91/46/1070059146.db2.gz SKKMBCQWEYZGFN-APPDUMDISA-N 0 0 463.454 0.699 20 0 JCADRN C[C@@H](OC(=O)CNC(=O)[C@@H]1c2ccccc2C(=O)N1C1CC1)C(=O)Nc1ncnc2[nH]cnc21 ZINC000746747492 1070058977 /nfs/dbraw/zinc/05/89/77/1070058977.db2.gz SKKMBCQWEYZGFN-DIFFPNOSSA-N 0 0 463.454 0.699 20 0 JCADRN C[C@H](OC(=O)CNC(=O)[C@@H]1c2ccccc2C(=O)N1C1CC1)C(=O)Nc1ncnc2[nH]cnc21 ZINC000746747495 1070059012 /nfs/dbraw/zinc/05/90/12/1070059012.db2.gz SKKMBCQWEYZGFN-GTNSWQLSSA-N 0 0 463.454 0.699 20 0 JCADRN C[C@@H](OC(=O)CNC(=O)[C@H]1c2ccccc2C(=O)N1C1CC1)C(=O)Nc1ncnc2[nH]cnc21 ZINC000746747499 1070059029 /nfs/dbraw/zinc/05/90/29/1070059029.db2.gz SKKMBCQWEYZGFN-PIGZYNQJSA-N 0 0 463.454 0.699 20 0 JCADRN O=C(COC(=O)CNC(=O)[C@@H]1c2ccccc2C(=O)N1C1CC1)NC1CCC2(CC1)OCCO2 ZINC000746747589 1070060140 /nfs/dbraw/zinc/06/01/40/1070060140.db2.gz WACCTRJDOPBRIO-NRFANRHFSA-N 0 0 471.510 0.807 20 0 JCADRN O=C(COC(=O)CNC(=O)[C@H]1c2ccccc2C(=O)N1C1CC1)NC1CCC2(CC1)OCCO2 ZINC000746747593 1070060332 /nfs/dbraw/zinc/06/03/32/1070060332.db2.gz WACCTRJDOPBRIO-OAQYLSRUSA-N 0 0 471.510 0.807 20 0 JCADRN O=C(COC(=O)CNC(=O)[C@@H]1c2ccccc2C(=O)N1C1CC1)NC[C@H]1COc2ccccc2O1 ZINC000746747687 1070059589 /nfs/dbraw/zinc/05/95/89/1070059589.db2.gz FHNXYLGGTKXRDN-HJPURHCSSA-N 0 0 479.489 0.962 20 0 JCADRN O=C(COC(=O)CNC(=O)[C@@H]1c2ccccc2C(=O)N1C1CC1)NC[C@@H]1COc2ccccc2O1 ZINC000746747692 1070059754 /nfs/dbraw/zinc/05/97/54/1070059754.db2.gz FHNXYLGGTKXRDN-MWTRTKDXSA-N 0 0 479.489 0.962 20 0 JCADRN O=C(COC(=O)CNC(=O)[C@H]1c2ccccc2C(=O)N1C1CC1)NC[C@H]1COc2ccccc2O1 ZINC000746747699 1070059645 /nfs/dbraw/zinc/05/96/45/1070059645.db2.gz FHNXYLGGTKXRDN-QMHKHESXSA-N 0 0 479.489 0.962 20 0 JCADRN O=C(COC(=O)CNC(=O)[C@H]1c2ccccc2C(=O)N1C1CC1)NC[C@@H]1COc2ccccc2O1 ZINC000746747705 1070059608 /nfs/dbraw/zinc/05/96/08/1070059608.db2.gz FHNXYLGGTKXRDN-WAIKUNEKSA-N 0 0 479.489 0.962 20 0 JCADRN NS(=O)(=O)c1ccc(OCCOC(=O)CNC(=O)[C@@H]2c3ccccc3C(=O)N2C2CC2)cc1 ZINC000746748233 1070059738 /nfs/dbraw/zinc/05/97/38/1070059738.db2.gz ULRTTXKXWVCKHG-FQEVSTJZSA-N 0 0 473.507 0.732 20 0 JCADRN NS(=O)(=O)c1ccc(OCCOC(=O)CNC(=O)[C@H]2c3ccccc3C(=O)N2C2CC2)cc1 ZINC000746748236 1070059450 /nfs/dbraw/zinc/05/94/50/1070059450.db2.gz ULRTTXKXWVCKHG-HXUWFJFHSA-N 0 0 473.507 0.732 20 0 JCADRN O=C(CNC(=O)[C@@H]1c2ccccc2C(=O)N1C1CC1)OCC(=O)N1CCC2(CC1)OCCO2 ZINC000746748302 1070059718 /nfs/dbraw/zinc/05/97/18/1070059718.db2.gz XLAMIWMAXICBBT-FQEVSTJZSA-N 0 0 457.483 0.371 20 0 JCADRN O=C(CNC(=O)[C@H]1c2ccccc2C(=O)N1C1CC1)OCC(=O)N1CCC2(CC1)OCCO2 ZINC000746748304 1070059627 /nfs/dbraw/zinc/05/96/27/1070059627.db2.gz XLAMIWMAXICBBT-HXUWFJFHSA-N 0 0 457.483 0.371 20 0 JCADRN NS(=O)(=O)c1ccc(C(=O)COC(=O)CNC(=O)[C@@H]2c3ccccc3C(=O)N2C2CC2)cc1 ZINC000746748321 1070059776 /nfs/dbraw/zinc/05/97/76/1070059776.db2.gz XZSAHRKDQKKMCJ-FQEVSTJZSA-N 0 0 471.491 0.536 20 0 JCADRN NS(=O)(=O)c1ccc(C(=O)COC(=O)CNC(=O)[C@H]2c3ccccc3C(=O)N2C2CC2)cc1 ZINC000746748322 1070059529 /nfs/dbraw/zinc/05/95/29/1070059529.db2.gz XZSAHRKDQKKMCJ-HXUWFJFHSA-N 0 0 471.491 0.536 20 0 JCADRN CCN(C(=O)COC(=O)CNC(=O)[C@H]1c2ccccc2C(=O)N1C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000746748331 1070059567 /nfs/dbraw/zinc/05/95/67/1070059567.db2.gz VGCYTYXUINHCPB-FOIQADDNSA-N 0 0 477.539 0.041 20 0 JCADRN CCN(C(=O)COC(=O)CNC(=O)[C@H]1c2ccccc2C(=O)N1C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000746748332 1070059474 /nfs/dbraw/zinc/05/94/74/1070059474.db2.gz VGCYTYXUINHCPB-MGPUTAFESA-N 0 0 477.539 0.041 20 0 JCADRN CCN(C(=O)COC(=O)CNC(=O)[C@@H]1c2ccccc2C(=O)N1C1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000746748333 1070059422 /nfs/dbraw/zinc/05/94/22/1070059422.db2.gz VGCYTYXUINHCPB-QRWLVFNGSA-N 0 0 477.539 0.041 20 0 JCADRN CCN(C(=O)COC(=O)CNC(=O)[C@@H]1c2ccccc2C(=O)N1C1CC1)[C@H]1CCS(=O)(=O)C1 ZINC000746748335 1070059794 /nfs/dbraw/zinc/05/97/94/1070059794.db2.gz VGCYTYXUINHCPB-YWZLYKJASA-N 0 0 477.539 0.041 20 0 JCADRN COc1ccc(C(=O)NC(=O)COC(=O)CNC(=O)[C@@H]2c3ccccc3C(=O)N2C2CC2)cc1 ZINC000746748386 1070059492 /nfs/dbraw/zinc/05/94/92/1070059492.db2.gz WCYYZFRXUJHCFU-NRFANRHFSA-N 0 0 465.462 0.971 20 0 JCADRN COc1ccc(C(=O)NC(=O)COC(=O)CNC(=O)[C@H]2c3ccccc3C(=O)N2C2CC2)cc1 ZINC000746748389 1070059665 /nfs/dbraw/zinc/05/96/65/1070059665.db2.gz WCYYZFRXUJHCFU-OAQYLSRUSA-N 0 0 465.462 0.971 20 0 JCADRN C[C@H](OC(=O)CNC(=O)[C@@H]1c2ccccc2C(=O)N1C1CC1)C(=O)N(C)CC(=O)NC1CC1 ZINC000746748495 1070059812 /nfs/dbraw/zinc/05/98/12/1070059812.db2.gz ZVAPHTACVDTTHF-RBZFPXEDSA-N 0 0 456.499 0.131 20 0 JCADRN 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O=C(COC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1)N1CCN(Cc2cccs2)CC1 ZINC000794133726 1070105691 /nfs/dbraw/zinc/10/56/91/1070105691.db2.gz CQBYIAFFPPIDGH-OAHLLOKOSA-N 0 0 482.584 0.101 20 0 JCADRN CCC1(CC)NC(=O)N(CC(=O)OCC(=O)N(Cc2cccs2)[C@H]2CCS(=O)(=O)C2)C1=O ZINC000794135624 1070105787 /nfs/dbraw/zinc/10/57/87/1070105787.db2.gz ARSBUAVJYCPOPN-AWEZNQCLSA-N 0 0 485.584 0.918 20 0 JCADRN CCC1(CC)NC(=O)N(CC(=O)OCC(=O)N(Cc2cccs2)[C@@H]2CCS(=O)(=O)C2)C1=O ZINC000794135625 1070105612 /nfs/dbraw/zinc/10/56/12/1070105612.db2.gz ARSBUAVJYCPOPN-CQSZACIVSA-N 0 0 485.584 0.918 20 0 JCADRN Cc1ccccc1CN1CCN(C(=O)COC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)CC1 ZINC000794136845 1070105531 /nfs/dbraw/zinc/10/55/31/1070105531.db2.gz SIQFLUHPIZIKRF-IBGZPJMESA-N 0 0 490.582 0.348 20 0 JCADRN Cc1ccccc1CN1CCN(C(=O)COC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)CC1 ZINC000794136846 1070105634 /nfs/dbraw/zinc/10/56/34/1070105634.db2.gz SIQFLUHPIZIKRF-LJQANCHMSA-N 0 0 490.582 0.348 20 0 JCADRN O=C(COC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1)Nc1ccc(CN2CCOCC2)cc1 ZINC000794137580 1070105730 /nfs/dbraw/zinc/10/57/30/1070105730.db2.gz XHKZCWHZUOJBPB-GOSISDBHSA-N 0 0 492.554 0.166 20 0 JCADRN O=C(COC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1)Nc1ccc(CN2CCOCC2)cc1 ZINC000794137582 1070105755 /nfs/dbraw/zinc/10/57/55/1070105755.db2.gz XHKZCWHZUOJBPB-SFHVURJKSA-N 0 0 492.554 0.166 20 0 JCADRN CCC1(CC)NC(=O)N(CC(=O)OCC(=O)NCC2(N3CCOCC3)CCCCC2)C1=O ZINC000794138528 1070105648 /nfs/dbraw/zinc/10/56/48/1070105648.db2.gz UCXNHTRIXSGYFE-UHFFFAOYSA-N 0 0 452.552 0.792 20 0 JCADRN C[C@@H](c1ccccc1)N1CCN(C(=O)COC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)CC1 ZINC000794138699 1070105367 /nfs/dbraw/zinc/10/53/67/1070105367.db2.gz GHWHLHMXWHIXDF-HKUYNNGSSA-N 0 0 490.582 0.601 20 0 JCADRN C[C@H](c1ccccc1)N1CCN(C(=O)COC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)CC1 ZINC000794138700 1070105423 /nfs/dbraw/zinc/10/54/23/1070105423.db2.gz GHWHLHMXWHIXDF-IEBWSBKVSA-N 0 0 490.582 0.601 20 0 JCADRN C[C@H](c1ccccc1)N1CCN(C(=O)COC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)CC1 ZINC000794138701 1070105483 /nfs/dbraw/zinc/10/54/83/1070105483.db2.gz GHWHLHMXWHIXDF-MJGOQNOKSA-N 0 0 490.582 0.601 20 0 JCADRN C[C@@H](c1ccccc1)N1CCN(C(=O)COC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)CC1 ZINC000794138702 1070105557 /nfs/dbraw/zinc/10/55/57/1070105557.db2.gz GHWHLHMXWHIXDF-PKOBYXMFSA-N 0 0 490.582 0.601 20 0 JCADRN CCC1(CC)NC(=O)N(CC(=O)OCC(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)C1=O ZINC000794139004 1070105669 /nfs/dbraw/zinc/10/56/69/1070105669.db2.gz WPJZVQTVDFMGAO-UHFFFAOYSA-N 0 0 491.520 0.562 20 0 JCADRN CCn1c(SCC(=O)OCC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)nnc1-c1ccco1 ZINC000794151370 1070106536 /nfs/dbraw/zinc/10/65/36/1070106536.db2.gz NZHYCKZGBHHRSH-HNNXBMFYSA-N 0 0 497.599 0.525 20 0 JCADRN CCn1c(SCC(=O)OCC(=O)N2CCN([C@@H]3CCS(=O)(=O)C3)CC2)nnc1-c1ccco1 ZINC000794151372 1070106653 /nfs/dbraw/zinc/10/66/53/1070106653.db2.gz NZHYCKZGBHHRSH-OAHLLOKOSA-N 0 0 497.599 0.525 20 0 JCADRN O=C(COC(=O)CN1C(=O)NC2(CCCCC2)C1=O)NCc1ccccc1CN1CCOCC1 ZINC000794168155 1070105578 /nfs/dbraw/zinc/10/55/78/1070105578.db2.gz FTMJLEUHAYHYEG-UHFFFAOYSA-N 0 0 472.542 0.933 20 0 JCADRN O=C(COC(=O)CN1C(=O)NC2(CCCCC2)C1=O)NCC1(N2CCOCC2)CCCCC1 ZINC000794168555 1070105447 /nfs/dbraw/zinc/10/54/47/1070105447.db2.gz IVGQGHFCHFFPPG-UHFFFAOYSA-N 0 0 464.563 0.936 20 0 JCADRN CC1CCC2(CC1)NC(=O)N(CC(=O)OCC(=O)N1CCN(CC(=O)NC(C)(C)C)CC1)C2=O ZINC000794174732 1070105503 /nfs/dbraw/zinc/10/55/03/1070105503.db2.gz LSFSRJRKTONSEX-UHFFFAOYSA-N 0 0 479.578 0.089 20 0 JCADRN CCN(C(=O)COC(=O)c1cc(S(=O)(=O)NCCOC)ccc1Cl)[C@@H]1CCS(=O)(=O)C1 ZINC000794193385 1070105397 /nfs/dbraw/zinc/10/53/97/1070105397.db2.gz COERRWSTDIFBFE-CYBMUJFWSA-N 0 0 496.991 0.457 20 0 JCADRN CCN(C(=O)COC(=O)c1cc(S(=O)(=O)NCCOC)ccc1Cl)[C@H]1CCS(=O)(=O)C1 ZINC000794193392 1070106601 /nfs/dbraw/zinc/10/66/01/1070106601.db2.gz COERRWSTDIFBFE-ZDUSSCGKSA-N 0 0 496.991 0.457 20 0 JCADRN CCn1c(CCC(=O)O[C@H]2CCS(=O)(=O)C2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000794200558 1070106694 /nfs/dbraw/zinc/10/66/94/1070106694.db2.gz UIBNGQZKJHTKSG-HNNXBMFYSA-N 0 0 485.584 0.740 20 0 JCADRN CCn1c(CCC(=O)O[C@@H]2CCS(=O)(=O)C2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC000794200561 1070106664 /nfs/dbraw/zinc/10/66/64/1070106664.db2.gz UIBNGQZKJHTKSG-OAHLLOKOSA-N 0 0 485.584 0.740 20 0 JCADRN COc1ccc([C@]2(C)NC(=O)N(CC(=O)N[C@H]3CCCc4[nH]c(=O)c(C(N)=O)cc43)C2=O)cc1 ZINC000794217531 1070106618 /nfs/dbraw/zinc/10/66/18/1070106618.db2.gz HXTWIOPBNKMEDE-HJPURHCSSA-N 0 0 467.482 0.856 20 0 JCADRN COc1ccc([C@]2(C)NC(=O)N(CC(=O)N[C@@H]3CCCc4[nH]c(=O)c(C(N)=O)cc43)C2=O)cc1 ZINC000794217533 1070106609 /nfs/dbraw/zinc/10/66/09/1070106609.db2.gz HXTWIOPBNKMEDE-MWTRTKDXSA-N 0 0 467.482 0.856 20 0 JCADRN COc1ccc([C@@]2(C)NC(=O)N(CC(=O)N[C@H]3CCCc4[nH]c(=O)c(C(N)=O)cc43)C2=O)cc1 ZINC000794217536 1070106624 /nfs/dbraw/zinc/10/66/24/1070106624.db2.gz HXTWIOPBNKMEDE-QMHKHESXSA-N 0 0 467.482 0.856 20 0 JCADRN COc1ccc([C@@]2(C)NC(=O)N(CC(=O)N[C@@H]3CCCc4[nH]c(=O)c(C(N)=O)cc43)C2=O)cc1 ZINC000794217538 1070106478 /nfs/dbraw/zinc/10/64/78/1070106478.db2.gz HXTWIOPBNKMEDE-WAIKUNEKSA-N 0 0 467.482 0.856 20 0 JCADRN COc1ccc(-n2c(C)nnc2SCC(=O)OCC(=O)NC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1 ZINC000794251130 1070106594 /nfs/dbraw/zinc/10/65/94/1070106594.db2.gz BDTIVTZEPCEMRX-CYBMUJFWSA-N 0 0 497.555 0.233 20 0 JCADRN COc1ccc(-n2c(C)nnc2SCC(=O)OCC(=O)NC(=O)N[C@H]2CCS(=O)(=O)C2)cc1 ZINC000794251134 1070106464 /nfs/dbraw/zinc/10/64/64/1070106464.db2.gz BDTIVTZEPCEMRX-ZDUSSCGKSA-N 0 0 497.555 0.233 20 0 JCADRN Cc1nnc(SCC(=O)OCC(=O)NC(=O)N[C@H]2CCS(=O)(=O)C2)n1-c1cc(C)ccc1C ZINC000794258184 1070106700 /nfs/dbraw/zinc/10/67/00/1070106700.db2.gz SEKBDIXCULFQDE-HNNXBMFYSA-N 0 0 495.583 0.841 20 0 JCADRN Cc1nnc(SCC(=O)OCC(=O)NC(=O)N[C@@H]2CCS(=O)(=O)C2)n1-c1cc(C)ccc1C ZINC000794258189 1070106641 /nfs/dbraw/zinc/10/66/41/1070106641.db2.gz SEKBDIXCULFQDE-OAHLLOKOSA-N 0 0 495.583 0.841 20 0 JCADRN CC(C)NS(=O)(=O)c1cccc(C(=O)OCC(=O)N2CCN(CC(=O)NC(C)(C)C)CC2)c1 ZINC000794285247 1070106675 /nfs/dbraw/zinc/10/66/75/1070106675.db2.gz GIIVEKKYEUDWKA-UHFFFAOYSA-N 0 0 482.603 0.589 20 0 JCADRN O=C(CN1CCN(C(=O)COC(=O)c2cccc(-n3cnnn3)c2)CC1)Nc1ccc(F)cc1 ZINC000794285353 1070107568 /nfs/dbraw/zinc/10/75/68/1070107568.db2.gz OGDIEODIQKGXLF-UHFFFAOYSA-N 0 0 467.461 0.741 20 0 JCADRN O=C(CN1CCN(C(=O)COC(=O)c2ccccc2-n2cnnn2)CC1)Nc1ccc(F)cc1 ZINC000794298625 1070107639 /nfs/dbraw/zinc/10/76/39/1070107639.db2.gz PUVLSJGHAHLPDG-UHFFFAOYSA-N 0 0 467.461 0.741 20 0 JCADRN CC[C@@]1(C)NC(=O)N(CC(=O)OCC(=O)N(Cc2cccs2)[C@@H]2CCS(=O)(=O)C2)C1=O ZINC000794318466 1070107661 /nfs/dbraw/zinc/10/76/61/1070107661.db2.gz KRACNLGAGQAIGD-BFUOFWGJSA-N 0 0 471.557 0.528 20 0 JCADRN CC[C@]1(C)NC(=O)N(CC(=O)OCC(=O)N(Cc2cccs2)[C@H]2CCS(=O)(=O)C2)C1=O ZINC000794318468 1070107605 /nfs/dbraw/zinc/10/76/05/1070107605.db2.gz KRACNLGAGQAIGD-DJJJIMSYSA-N 0 0 471.557 0.528 20 0 JCADRN CC[C@@]1(C)NC(=O)N(CC(=O)OCC(=O)N(Cc2cccs2)[C@H]2CCS(=O)(=O)C2)C1=O ZINC000794318470 1070107496 /nfs/dbraw/zinc/10/74/96/1070107496.db2.gz KRACNLGAGQAIGD-ORAYPTAESA-N 0 0 471.557 0.528 20 0 JCADRN CC[C@]1(C)NC(=O)N(CC(=O)OCC(=O)N(Cc2cccs2)[C@@H]2CCS(=O)(=O)C2)C1=O ZINC000794318472 1070107631 /nfs/dbraw/zinc/10/76/31/1070107631.db2.gz KRACNLGAGQAIGD-YJYMSZOUSA-N 0 0 471.557 0.528 20 0 JCADRN CCc1ccccc1NC(=O)CN1CCN(C(=O)COC(=O)CN2C(=O)N[C@@](C)(CC)C2=O)CC1 ZINC000794320681 1070107580 /nfs/dbraw/zinc/10/75/80/1070107580.db2.gz AJUULPADYUVPLH-DEOSSOPVSA-N 0 0 487.557 0.595 20 0 JCADRN CCc1ccccc1NC(=O)CN1CCN(C(=O)COC(=O)CN2C(=O)N[C@](C)(CC)C2=O)CC1 ZINC000794320737 1070107701 /nfs/dbraw/zinc/10/77/01/1070107701.db2.gz AJUULPADYUVPLH-XMMPIXPASA-N 0 0 487.557 0.595 20 0 JCADRN CC[C@@]1(C)NC(=O)N(CC(=O)OCC(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)C1=O ZINC000794322587 1070107552 /nfs/dbraw/zinc/10/75/52/1070107552.db2.gz RBNDHCAKWHYYHY-JOCHJYFZSA-N 0 0 477.493 0.172 20 0 JCADRN CC[C@]1(C)NC(=O)N(CC(=O)OCC(=O)N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)C1=O ZINC000794322604 1070107592 /nfs/dbraw/zinc/10/75/92/1070107592.db2.gz RBNDHCAKWHYYHY-QFIPXVFZSA-N 0 0 477.493 0.172 20 0 JCADRN O=C(CCC(=O)N1CCC(c2ccccc2)=N1)OCC(=O)N1CCN([C@H]2CCS(=O)(=O)C2)CC1 ZINC000794367439 1070107445 /nfs/dbraw/zinc/10/74/45/1070107445.db2.gz OLLKNTFXFZNHEI-IBGZPJMESA-N 0 0 490.582 0.278 20 0 JCADRN O=C(CCC(=O)N1CCC(c2ccccc2)=N1)OCC(=O)N1CCN([C@@H]2CCS(=O)(=O)C2)CC1 ZINC000794367442 1070107684 /nfs/dbraw/zinc/10/76/84/1070107684.db2.gz OLLKNTFXFZNHEI-LJQANCHMSA-N 0 0 490.582 0.278 20 0 JCADRN CC(=O)c1ccc(S(=O)(=O)NCC(=O)OCC(=O)NCC2(N3CCOCC3)CCCCC2)cc1 ZINC000794379436 1070107709 /nfs/dbraw/zinc/10/77/09/1070107709.db2.gz IQSMYTOFGNFJNY-UHFFFAOYSA-N 0 0 495.598 0.862 20 0 JCADRN Cc1c(NC(=O)[C@H](C)SCC(=O)OCC(=O)N2CCNC(=O)C2)c(=O)n(-c2ccccc2)n1C ZINC000794384702 1070107536 /nfs/dbraw/zinc/10/75/36/1070107536.db2.gz CIUOMOMSFLEGRR-HNNXBMFYSA-N 0 0 489.554 0.046 20 0 JCADRN 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ABQCHIQOCMUVNM-ZNMIVQPWSA-N 0 0 495.554 0.978 20 0 JCADRN C[C@H](OC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1)C(=O)N[C@H]1CCOc2ccccc21 ZINC000853144236 1069967862 /nfs/dbraw/zinc/96/78/62/1069967862.db2.gz DOFJVOCBQBLEFS-DZKIICNBSA-N 0 0 463.512 0.724 20 0 JCADRN C[C@H](OC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1)C(=O)N[C@H]1CCOc2ccccc21 ZINC000853144237 1069967614 /nfs/dbraw/zinc/96/76/14/1069967614.db2.gz DOFJVOCBQBLEFS-LZWOXQAQSA-N 0 0 463.512 0.724 20 0 JCADRN C[C@H](OC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000853144238 1069967841 /nfs/dbraw/zinc/96/78/41/1069967841.db2.gz DOFJVOCBQBLEFS-OFQRWUPVSA-N 0 0 463.512 0.724 20 0 JCADRN C[C@H](OC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000853144239 1069967739 /nfs/dbraw/zinc/96/77/39/1069967739.db2.gz DOFJVOCBQBLEFS-SQWLQELKSA-N 0 0 463.512 0.724 20 0 JCADRN COc1ccc(NC(=O)[C@@H](C)OC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)c(OC)c1 ZINC000853144476 1069967641 /nfs/dbraw/zinc/96/76/41/1069967641.db2.gz HFGWEZLRRSKZDV-CHWSQXEVSA-N 0 0 467.500 0.740 20 0 JCADRN COc1ccc(NC(=O)[C@@H](C)OC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)c(OC)c1 ZINC000853144477 1069967848 /nfs/dbraw/zinc/96/78/48/1069967848.db2.gz HFGWEZLRRSKZDV-OLZOCXBDSA-N 0 0 467.500 0.740 20 0 JCADRN COc1ccc(NC(=O)[C@H](C)OC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)c(OC)c1 ZINC000853144478 1069967662 /nfs/dbraw/zinc/96/76/62/1069967662.db2.gz HFGWEZLRRSKZDV-QWHCGFSZSA-N 0 0 467.500 0.740 20 0 JCADRN COc1ccc(NC(=O)[C@H](C)OC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)c(OC)c1 ZINC000853144479 1069967913 /nfs/dbraw/zinc/96/79/13/1069967913.db2.gz HFGWEZLRRSKZDV-STQMWFEESA-N 0 0 467.500 0.740 20 0 JCADRN C[C@@H](OC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1)C(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000853145127 1069968621 /nfs/dbraw/zinc/96/86/21/1069968621.db2.gz CBVREMKAUMCKGX-CRAIPNDOSA-N 0 0 494.545 0.572 20 0 JCADRN C[C@H](OC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1)C(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000853145274 1069968812 /nfs/dbraw/zinc/96/88/12/1069968812.db2.gz CBVREMKAUMCKGX-MAUKXSAKSA-N 0 0 494.545 0.572 20 0 JCADRN C[C@@H](OC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1)C(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000853145276 1069968506 /nfs/dbraw/zinc/96/85/06/1069968506.db2.gz CBVREMKAUMCKGX-QAPCUYQASA-N 0 0 494.545 0.572 20 0 JCADRN C[C@H](OC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1)C(=O)N1CCN(c2ccc(F)cc2)CC1 ZINC000853145278 1069968390 /nfs/dbraw/zinc/96/83/90/1069968390.db2.gz CBVREMKAUMCKGX-YJBOKZPZSA-N 0 0 494.545 0.572 20 0 JCADRN C[C@@H](OC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1)C(=O)NCCc1c[nH]c2ccccc12 ZINC000853145541 1069968759 /nfs/dbraw/zinc/96/87/59/1069968759.db2.gz FGAGAPWQYQDHTG-GDBMZVCRSA-N 0 0 474.539 0.924 20 0 JCADRN C[C@H](OC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1)C(=O)NCCc1c[nH]c2ccccc12 ZINC000853145544 1069968726 /nfs/dbraw/zinc/96/87/26/1069968726.db2.gz FGAGAPWQYQDHTG-GOEBONIOSA-N 0 0 474.539 0.924 20 0 JCADRN C[C@H](OC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1)C(=O)NCCc1c[nH]c2ccccc12 ZINC000853145547 1069968698 /nfs/dbraw/zinc/96/86/98/1069968698.db2.gz FGAGAPWQYQDHTG-HOCLYGCPSA-N 0 0 474.539 0.924 20 0 JCADRN C[C@@H](OC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1)C(=O)NCCc1c[nH]c2ccccc12 ZINC000853145551 1069968738 /nfs/dbraw/zinc/96/87/38/1069968738.db2.gz FGAGAPWQYQDHTG-ZBFHGGJFSA-N 0 0 474.539 0.924 20 0 JCADRN COC(=O)c1ccc(C)c(NC(=O)[C@H](C)OC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)c1 ZINC000853146156 1069968412 /nfs/dbraw/zinc/96/84/12/1069968412.db2.gz XLIKVVJCTSIIFJ-DZGCQCFKSA-N 0 0 479.511 0.817 20 0 JCADRN COC(=O)c1ccc(C)c(NC(=O)[C@@H](C)OC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)c1 ZINC000853146157 1069968677 /nfs/dbraw/zinc/96/86/77/1069968677.db2.gz XLIKVVJCTSIIFJ-HIFRSBDPSA-N 0 0 479.511 0.817 20 0 JCADRN COC(=O)c1ccc(C)c(NC(=O)[C@@H](C)OC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)c1 ZINC000853146158 1069968659 /nfs/dbraw/zinc/96/86/59/1069968659.db2.gz XLIKVVJCTSIIFJ-UKRRQHHQSA-N 0 0 479.511 0.817 20 0 JCADRN COC(=O)c1ccc(C)c(NC(=O)[C@H](C)OC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)c1 ZINC000853146159 1069968774 /nfs/dbraw/zinc/96/87/74/1069968774.db2.gz XLIKVVJCTSIIFJ-ZFWWWQNUSA-N 0 0 479.511 0.817 20 0 JCADRN COc1ccccc1[C@H](C)NC(=O)[C@H](C)OC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000853146342 1069968643 /nfs/dbraw/zinc/96/86/43/1069968643.db2.gz SNRLUSCNWJBQHP-KKUMJFAQSA-N 0 0 465.528 0.970 20 0 JCADRN COc1ccccc1[C@H](C)NC(=O)[C@@H](C)OC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000853146344 1069968824 /nfs/dbraw/zinc/96/88/24/1069968824.db2.gz SNRLUSCNWJBQHP-RRFJBIMHSA-N 0 0 465.528 0.970 20 0 JCADRN COc1ccccc1[C@H](C)NC(=O)[C@H](C)OC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000853146346 1069968438 /nfs/dbraw/zinc/96/84/38/1069968438.db2.gz SNRLUSCNWJBQHP-SOUVJXGZSA-N 0 0 465.528 0.970 20 0 JCADRN COc1ccccc1[C@H](C)NC(=O)[C@@H](C)OC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC000853146348 1069968605 /nfs/dbraw/zinc/96/86/05/1069968605.db2.gz SNRLUSCNWJBQHP-ZNMIVQPWSA-N 0 0 465.528 0.970 20 0 JCADRN COc1cccc(CNC(=O)[C@H](C)OC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)c1 ZINC000853146573 1069969261 /nfs/dbraw/zinc/96/92/61/1069969261.db2.gz VHEUNFKYCCQEFY-DZGCQCFKSA-N 0 0 451.501 0.409 20 0 JCADRN COc1cccc(CNC(=O)[C@@H](C)OC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)c1 ZINC000853146574 1069969211 /nfs/dbraw/zinc/96/92/11/1069969211.db2.gz VHEUNFKYCCQEFY-HIFRSBDPSA-N 0 0 451.501 0.409 20 0 JCADRN COc1cccc(CNC(=O)[C@@H](C)OC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)c1 ZINC000853146575 1069969203 /nfs/dbraw/zinc/96/92/03/1069969203.db2.gz VHEUNFKYCCQEFY-UKRRQHHQSA-N 0 0 451.501 0.409 20 0 JCADRN COc1cccc(CNC(=O)[C@H](C)OC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)c1 ZINC000853146576 1069969307 /nfs/dbraw/zinc/96/93/07/1069969307.db2.gz VHEUNFKYCCQEFY-ZFWWWQNUSA-N 0 0 451.501 0.409 20 0 JCADRN C[C@@H](OC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1)C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000853146657 1069969280 /nfs/dbraw/zinc/96/92/80/1069969280.db2.gz OBZOVFRJZAVKKO-PBHICJAKSA-N 0 0 490.538 0.849 20 0 JCADRN C[C@@H](OC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1)C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000853146658 1069969356 /nfs/dbraw/zinc/96/93/56/1069969356.db2.gz OBZOVFRJZAVKKO-RHSMWYFYSA-N 0 0 490.538 0.849 20 0 JCADRN C[C@H](OC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1)C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000853146659 1069969194 /nfs/dbraw/zinc/96/91/94/1069969194.db2.gz OBZOVFRJZAVKKO-WMLDXEAASA-N 0 0 490.538 0.849 20 0 JCADRN C[C@H](OC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1)C(=O)Nc1cccc(N2CCCC2=O)c1 ZINC000853146660 1069969248 /nfs/dbraw/zinc/96/92/48/1069969248.db2.gz OBZOVFRJZAVKKO-YOEHRIQHSA-N 0 0 490.538 0.849 20 0 JCADRN C[C@@H](OC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1)C(=O)N1CCN(c2ccccc2O)CC1 ZINC000853146679 1069969340 /nfs/dbraw/zinc/96/93/40/1069969340.db2.gz OHKBFOAXJLDTJS-CVEARBPZSA-N 0 0 492.554 0.138 20 0 JCADRN C[C@H](OC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1)C(=O)N1CCN(c2ccccc2O)CC1 ZINC000853146680 1069969288 /nfs/dbraw/zinc/96/92/88/1069969288.db2.gz OHKBFOAXJLDTJS-HOTGVXAUSA-N 0 0 492.554 0.138 20 0 JCADRN C[C@@H](OC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1)C(=O)N1CCN(c2ccccc2O)CC1 ZINC000853146681 1069969168 /nfs/dbraw/zinc/96/91/68/1069969168.db2.gz OHKBFOAXJLDTJS-HZPDHXFCSA-N 0 0 492.554 0.138 20 0 JCADRN C[C@H](OC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1)C(=O)N1CCN(c2ccccc2O)CC1 ZINC000853146682 1069969408 /nfs/dbraw/zinc/96/94/08/1069969408.db2.gz OHKBFOAXJLDTJS-JKSUJKDBSA-N 0 0 492.554 0.138 20 0 JCADRN Cc1cccc(OCCNC(=O)[C@@H](C)OC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)c1 ZINC000853146793 1069969395 /nfs/dbraw/zinc/96/93/95/1069969395.db2.gz XODAKZLXXKYZFC-CVEARBPZSA-N 0 0 465.528 0.587 20 0 JCADRN Cc1cccc(OCCNC(=O)[C@H](C)OC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)c1 ZINC000853146794 1069969270 /nfs/dbraw/zinc/96/92/70/1069969270.db2.gz XODAKZLXXKYZFC-HOTGVXAUSA-N 0 0 465.528 0.587 20 0 JCADRN Cc1cccc(OCCNC(=O)[C@@H](C)OC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)c1 ZINC000853146795 1069969381 /nfs/dbraw/zinc/96/93/81/1069969381.db2.gz XODAKZLXXKYZFC-HZPDHXFCSA-N 0 0 465.528 0.587 20 0 JCADRN Cc1cccc(OCCNC(=O)[C@H](C)OC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)c1 ZINC000853146796 1069969369 /nfs/dbraw/zinc/96/93/69/1069969369.db2.gz XODAKZLXXKYZFC-JKSUJKDBSA-N 0 0 465.528 0.587 20 0 JCADRN C[C@H](OC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1)C(=O)Nc1ccc2c(c1)OCCCO2 ZINC000853146808 1069969322 /nfs/dbraw/zinc/96/93/22/1069969322.db2.gz XZXOYQPPFXIZNK-DZGCQCFKSA-N 0 0 479.511 0.884 20 0 JCADRN C[C@@H](OC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1)C(=O)Nc1ccc2c(c1)OCCCO2 ZINC000853146809 1069969240 /nfs/dbraw/zinc/96/92/40/1069969240.db2.gz XZXOYQPPFXIZNK-HIFRSBDPSA-N 0 0 479.511 0.884 20 0 JCADRN C[C@@H](OC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1)C(=O)Nc1ccc2c(c1)OCCCO2 ZINC000853146810 1069969230 /nfs/dbraw/zinc/96/92/30/1069969230.db2.gz XZXOYQPPFXIZNK-UKRRQHHQSA-N 0 0 479.511 0.884 20 0 JCADRN C[C@H](OC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1)C(=O)Nc1ccc2c(c1)OCCCO2 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JCADRN NC(=O)C[C@@H](NC(=O)c1ccccc1Cl)C(=O)NCCS(=O)(=O)NCc1ccccc1 ZINC000916385752 1068094849 /nfs/dbraw/zinc/09/48/49/1068094849.db2.gz GDAXWNLLNGPNAA-QGZVFWFLSA-N 0 0 466.947 0.550 20 0 JCADRN O=C(NCc1ccnc(N2CCOCC2)c1)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 ZINC000916388667 1068094708 /nfs/dbraw/zinc/09/47/08/1068094708.db2.gz CFDMHMLNPWMHME-UHFFFAOYSA-N 0 0 470.555 0.895 20 0 JCADRN CCNC(=O)COc1ccc(CNC(=O)N2CCN(S(=O)(=O)N(CC)CC)CC2)cc1OC ZINC000916388773 1068095186 /nfs/dbraw/zinc/09/51/86/1068095186.db2.gz HYFAUQVPCRJZBJ-UHFFFAOYSA-N 0 0 485.607 0.624 20 0 JCADRN CCN(CC)S(=O)(=O)N1CCN(C(=O)NCc2ccc(C(=O)N3CCN(C)CC3)cc2)CC1 ZINC000916390325 1068095338 /nfs/dbraw/zinc/09/53/38/1068095338.db2.gz KESOUHUBHGBSEQ-UHFFFAOYSA-N 0 0 480.635 0.488 20 0 JCADRN O=C(NCCS(=O)(=O)Cc1ccccc1)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 ZINC000916391584 1068095235 /nfs/dbraw/zinc/09/52/35/1068095235.db2.gz FGKVOMIEAYHABB-UHFFFAOYSA-N 0 0 458.540 0.673 20 0 JCADRN O=C(NCCNS(=O)(=O)Cc1ccccc1)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 ZINC000916392231 1068095250 /nfs/dbraw/zinc/09/52/50/1068095250.db2.gz RGPKMQHEMOVPII-UHFFFAOYSA-N 0 0 473.555 0.177 20 0 JCADRN CON(C)S(=O)(=O)c1ccc(NC(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)cc1 ZINC000916392245 1068095213 /nfs/dbraw/zinc/09/52/13/1068095213.db2.gz SANMZAKTFKMISG-UHFFFAOYSA-N 0 0 475.527 0.762 20 0 JCADRN COc1ccc(OC)c([C@@H](O)CNC(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)c1 ZINC000916392493 1068095199 /nfs/dbraw/zinc/09/51/99/1068095199.db2.gz ZNXYECWUXMTPHN-IBGZPJMESA-N 0 0 456.499 0.809 20 0 JCADRN COc1ccc(OC)c([C@H](O)CNC(=O)NCc2ccc(C(=O)N3CCNC(=O)C3)cc2)c1 ZINC000916392494 1068095448 /nfs/dbraw/zinc/09/54/48/1068095448.db2.gz ZNXYECWUXMTPHN-LJQANCHMSA-N 0 0 456.499 0.809 20 0 JCADRN CCN(CC)S(=O)(=O)N1CCN(C(=O)NCc2ccc(N3CCO[C@@H](C)C3)nc2)CC1 ZINC000916392550 1068095139 /nfs/dbraw/zinc/09/51/39/1068095139.db2.gz BAVYFFHYZRRGRU-KRWDZBQOSA-N 0 0 454.597 0.721 20 0 JCADRN CCN(CC)S(=O)(=O)N1CCN(C(=O)NCc2ccc(N3CCO[C@H](C)C3)nc2)CC1 ZINC000916392551 1068095434 /nfs/dbraw/zinc/09/54/34/1068095434.db2.gz BAVYFFHYZRRGRU-QGZVFWFLSA-N 0 0 454.597 0.721 20 0 JCADRN COc1cc(CNC(=O)N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)ccc1OC(C)C ZINC000916392969 1068095061 /nfs/dbraw/zinc/09/50/61/1068095061.db2.gz CDIHRSBHRKNBEW-UHFFFAOYSA-N 0 0 469.608 0.802 20 0 JCADRN COc1ccc(S(=O)(=O)N2CCN(C(=O)NCc3ccc(-n4cncn4)nc3)CC2)cc1 ZINC000916394157 1068095370 /nfs/dbraw/zinc/09/53/70/1068095370.db2.gz DUOFXUFYBPWYDV-UHFFFAOYSA-N 0 0 457.516 0.887 20 0 JCADRN COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)NCc3ccc(-n4cncn4)nc3)CC2)c1 ZINC000916394158 1068095289 /nfs/dbraw/zinc/09/52/89/1068095289.db2.gz DWOAELPKICIVIF-UHFFFAOYSA-N 0 0 487.542 0.896 20 0 JCADRN O=C(NCc1ccc(-n2cncn2)nc1)N1CCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3)CC1 ZINC000916394178 1068095270 /nfs/dbraw/zinc/09/52/70/1068095270.db2.gz FPUMVAYRYVLTDB-UHFFFAOYSA-N 0 0 482.526 0.373 20 0 JCADRN O=C(NCCS(=O)(=O)N1CCN(c2ccccn2)CC1)NCc1ccc(-n2cncn2)nc1 ZINC000916394444 1068095156 /nfs/dbraw/zinc/09/51/56/1068095156.db2.gz UJJVXOLULMHGPT-UHFFFAOYSA-N 0 0 471.547 0.009 20 0 JCADRN O=C(NCc1ccc(-n2cncn2)nc1)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 ZINC000916395044 1068095418 /nfs/dbraw/zinc/09/54/18/1068095418.db2.gz OQIOETVXABAREK-UHFFFAOYSA-N 0 0 452.500 0.639 20 0 JCADRN Cc1noc(C)c1S(=O)(=O)N1CCCN(C(=O)NCc2ccc(-n3cncn3)nc2)CC1 ZINC000916395100 1068096118 /nfs/dbraw/zinc/09/61/18/1068096118.db2.gz BTZHYHWQIRAYJN-UHFFFAOYSA-N 0 0 460.520 0.873 20 0 JCADRN O=C(NCc1ccc(-n2cncn2)nc1)N1CCN(Cc2cc(=O)n3ccsc3n2)CC1 ZINC000916395447 1068097887 /nfs/dbraw/zinc/09/78/87/1068097887.db2.gz JMFUZOJZVGTCSF-UHFFFAOYSA-N 0 0 451.516 0.759 20 0 JCADRN O=C(NCc1ccc(-n2cncn2)nc1)N1CCN(S(=O)(=O)c2cccc3nsnc32)CC1 ZINC000916395489 1068097713 /nfs/dbraw/zinc/09/77/13/1068097713.db2.gz LEXRKJKUIVOPRJ-UHFFFAOYSA-N 0 0 485.555 0.883 20 0 JCADRN CCOC(=O)N1CCC(NC(=O)CCCNC(=O)NCc2ccc(-n3cncn3)nc2)CC1 ZINC000916395672 1068097726 /nfs/dbraw/zinc/09/77/26/1068097726.db2.gz VPOJVXADEPJZIL-UHFFFAOYSA-N 0 0 458.523 0.979 20 0 JCADRN CN(C1CCCCC1)S(=O)(=O)N1CCN(C(=O)NCc2ccc(-n3cncn3)nc2)CC1 ZINC000916395789 1068097684 /nfs/dbraw/zinc/09/76/84/1068097684.db2.gz XJVKRRTVIUIOIA-UHFFFAOYSA-N 0 0 462.580 0.999 20 0 JCADRN COC(=O)c1csc(S(=O)(=O)N2CCN(C(=O)NCc3ccc(-n4cncn4)nc3)CC2)c1 ZINC000916396127 1068097902 /nfs/dbraw/zinc/09/79/02/1068097902.db2.gz XGZLMIXNXCLPSN-UHFFFAOYSA-N 0 0 491.555 0.727 20 0 JCADRN O=C(NCc1ccc(S(=O)(=O)N2CCCC2)cc1)C1=CC=CN2CCS(=O)(=O)N=C12 ZINC000916396905 1068097666 /nfs/dbraw/zinc/09/76/66/1068097666.db2.gz FMLHETXEIWJWAX-UHFFFAOYSA-N 0 0 450.542 0.585 20 0 JCADRN O=C(COC(=O)c1ccc2c(c1)nc1n(c2=O)CCCCC1)NC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000916397261 1068097701 /nfs/dbraw/zinc/09/77/01/1068097701.db2.gz INTRNOOBNLGRSO-AWEZNQCLSA-N 0 0 476.511 0.293 20 0 JCADRN O=C(COC(=O)c1ccc2c(c1)nc1n(c2=O)CCCCC1)NC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000916397262 1068097739 /nfs/dbraw/zinc/09/77/39/1068097739.db2.gz INTRNOOBNLGRSO-CQSZACIVSA-N 0 0 476.511 0.293 20 0 JCADRN Cn1c2ncn(CCOC(=O)c3ccc4c(c3)nc3n(c4=O)CCCCC3)c2c(=O)n(C)c1=O ZINC000916397276 1068097827 /nfs/dbraw/zinc/09/78/27/1068097827.db2.gz IZYWLCAIZJMRTH-UHFFFAOYSA-N 0 0 464.482 0.727 20 0 JCADRN O=C(NCc1ccc(S(=O)(=O)N2CCCC2)cc1)C1=CN2CCS(=O)(=O)N=C2C=C1 ZINC000916397779 1068097647 /nfs/dbraw/zinc/09/76/47/1068097647.db2.gz QPLUEOYTUGRIMQ-UHFFFAOYSA-N 0 0 450.542 0.585 20 0 JCADRN C[C@@H](OC(=O)C1=CC=CN2CCS(=O)(=O)N=C12)C(=O)c1ccc(NS(C)(=O)=O)cc1 ZINC000916397892 1068097764 /nfs/dbraw/zinc/09/77/64/1068097764.db2.gz XLVCGDOBJKPGDE-GFCCVEGCSA-N 0 0 453.498 0.670 20 0 JCADRN C[C@H](OC(=O)C1=CC=CN2CCS(=O)(=O)N=C12)C(=O)c1ccc(NS(C)(=O)=O)cc1 ZINC000916397896 1068097917 /nfs/dbraw/zinc/09/79/17/1068097917.db2.gz XLVCGDOBJKPGDE-LBPRGKRZSA-N 0 0 453.498 0.670 20 0 JCADRN Cc1c(C(=O)OCC(=O)NC(=O)N[C@@H]2CCS(=O)(=O)C2)sc2nc3n(c(=O)c12)CCCCC3 ZINC000916398169 1068097814 /nfs/dbraw/zinc/09/78/14/1068097814.db2.gz XXWGREXNWBUOBT-GFCCVEGCSA-N 0 0 496.567 0.663 20 0 JCADRN Cc1c(C(=O)OCC(=O)NC(=O)N[C@H]2CCS(=O)(=O)C2)sc2nc3n(c(=O)c12)CCCCC3 ZINC000916398173 1068097781 /nfs/dbraw/zinc/09/77/81/1068097781.db2.gz XXWGREXNWBUOBT-LBPRGKRZSA-N 0 0 496.567 0.663 20 0 JCADRN COc1ccc(-c2nnc(SCC(=O)OCCn3cnc4c3c(=O)n(C)c(=O)n4C)o2)cc1 ZINC000916399171 1068097754 /nfs/dbraw/zinc/09/77/54/1068097754.db2.gz QCJFVZKPDIDZJX-UHFFFAOYSA-N 0 0 472.483 0.828 20 0 JCADRN COc1ccc(-c2nnc(SCC(=O)OCC(=O)NC(=O)N[C@@H]3CCS(=O)(=O)C3)o2)cc1 ZINC000916399203 1068098212 /nfs/dbraw/zinc/09/82/12/1068098212.db2.gz QNEMPFKXMRKLBP-GFCCVEGCSA-N 0 0 484.512 0.393 20 0 JCADRN COc1ccc(-c2nnc(SCC(=O)OCC(=O)NC(=O)N[C@H]3CCS(=O)(=O)C3)o2)cc1 ZINC000916399204 1068098133 /nfs/dbraw/zinc/09/81/33/1068098133.db2.gz QNEMPFKXMRKLBP-LBPRGKRZSA-N 0 0 484.512 0.393 20 0 JCADRN Cc1cc(C)n(-c2ccc(Cl)c(C(=O)OCC(=O)NC(=O)N[C@@H]3CCS(=O)(=O)C3)n2)n1 ZINC000916399246 1068098198 /nfs/dbraw/zinc/09/81/98/1068098198.db2.gz TVLCMKYUERRFCW-GFCCVEGCSA-N 0 0 469.907 0.707 20 0 JCADRN Cc1cc(C)n(-c2ccc(Cl)c(C(=O)OCC(=O)NC(=O)N[C@H]3CCS(=O)(=O)C3)n2)n1 ZINC000916399247 1068098285 /nfs/dbraw/zinc/09/82/85/1068098285.db2.gz TVLCMKYUERRFCW-LBPRGKRZSA-N 0 0 469.907 0.707 20 0 JCADRN Cn1cnnc1SCC(=O)Nc1cccc(C(=O)OCCn2cnc3c2c(=O)n(C)c(=O)n3C)c1 ZINC000916399457 1068098230 /nfs/dbraw/zinc/09/82/30/1068098230.db2.gz ZZJYGRONFRHFOY-UHFFFAOYSA-N 0 0 498.525 0.150 20 0 JCADRN O=C(NCc1cccnc1N1CCOCC1)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 ZINC000916400171 1068098095 /nfs/dbraw/zinc/09/80/95/1068098095.db2.gz UYWQNRUNRUXALW-UHFFFAOYSA-N 0 0 470.555 0.895 20 0 JCADRN COc1ccc(C(=O)OCCn2cnc3c2c(=O)n(C)c(=O)n3C)cc1S(=O)(=O)N1CCCC1 ZINC000916400326 1068098032 /nfs/dbraw/zinc/09/80/32/1068098032.db2.gz DDGVKXHIJIYHCT-UHFFFAOYSA-N 0 0 491.526 0.084 20 0 JCADRN O=C(COC(=O)c1ccc(N2C(=O)c3ccccc3C2=O)cc1)NC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000916400346 1068098047 /nfs/dbraw/zinc/09/80/47/1068098047.db2.gz FIUSDEPWGKCXSJ-AWEZNQCLSA-N 0 0 485.474 0.657 20 0 JCADRN 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CS(=O)(=O)N[C@@H]1CCCN(C(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@H]2CCCO2)C3=O)C1 ZINC000918564868 1068479594 /nfs/dbraw/zinc/47/95/94/1068479594.db2.gz AULIFELUEQXPCO-HUUCEWRRSA-N 0 0 471.557 0.164 20 0 JCADRN CS(=O)(=O)N[C@H]1CCCN(C(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@H]2CCCO2)C3=O)C1 ZINC000918564869 1068479486 /nfs/dbraw/zinc/47/94/86/1068479486.db2.gz AULIFELUEQXPCO-LSDHHAIUSA-N 0 0 471.557 0.164 20 0 JCADRN CN(CCCNC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@@H]1CCCO1)C2=O)S(C)(=O)=O ZINC000918565233 1068479527 /nfs/dbraw/zinc/47/95/27/1068479527.db2.gz MJSBPWRFICWOHS-AWEZNQCLSA-N 0 0 459.546 0.021 20 0 JCADRN CN(CCCNC(=O)c1ccc2c(c1)S(=O)(=O)N(C[C@H]1CCCO1)C2=O)S(C)(=O)=O ZINC000918565236 1068479606 /nfs/dbraw/zinc/47/96/06/1068479606.db2.gz MJSBPWRFICWOHS-CQSZACIVSA-N 0 0 459.546 0.021 20 0 JCADRN CNS(=O)(=O)c1cccc(CNC(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@@H]2CCCO2)C3=O)c1 ZINC000918565360 1068479481 /nfs/dbraw/zinc/47/94/81/1068479481.db2.gz PLHJEKDROARJDZ-INIZCTEOSA-N 0 0 493.563 0.848 20 0 JCADRN CNS(=O)(=O)c1cccc(CNC(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@H]2CCCO2)C3=O)c1 ZINC000918565363 1068479448 /nfs/dbraw/zinc/47/94/48/1068479448.db2.gz PLHJEKDROARJDZ-MRXNPFEDSA-N 0 0 493.563 0.848 20 0 JCADRN CCCNC(=O)CN1CCC(NC(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@H]2CCCO2)C3=O)CC1 ZINC000918565458 1068479580 /nfs/dbraw/zinc/47/95/80/1068479580.db2.gz IJDVWHOLQRERAV-GOSISDBHSA-N 0 0 492.598 0.731 20 0 JCADRN CCCNC(=O)CN1CCC(NC(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@@H]2CCCO2)C3=O)CC1 ZINC000918565461 1068479560 /nfs/dbraw/zinc/47/95/60/1068479560.db2.gz IJDVWHOLQRERAV-SFHVURJKSA-N 0 0 492.598 0.731 20 0 JCADRN CC[C@@H](C)NC(=O)CN1CCN(C(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@@H]2CCCO2)C3=O)CC1 ZINC000918565651 1068479538 /nfs/dbraw/zinc/47/95/38/1068479538.db2.gz NQIVSNGRDRKTRV-AEFFLSMTSA-N 0 0 492.598 0.683 20 0 JCADRN CC[C@H](C)NC(=O)CN1CCN(C(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@H]2CCCO2)C3=O)CC1 ZINC000918565653 1068479508 /nfs/dbraw/zinc/47/95/08/1068479508.db2.gz NQIVSNGRDRKTRV-FUHWJXTLSA-N 0 0 492.598 0.683 20 0 JCADRN CC[C@@H](C)NC(=O)CN1CCN(C(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@H]2CCCO2)C3=O)CC1 ZINC000918565655 1068480260 /nfs/dbraw/zinc/48/02/60/1068480260.db2.gz NQIVSNGRDRKTRV-SJLPKXTDSA-N 0 0 492.598 0.683 20 0 JCADRN CC[C@H](C)NC(=O)CN1CCN(C(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@@H]2CCCO2)C3=O)CC1 ZINC000918565657 1068480097 /nfs/dbraw/zinc/48/00/97/1068480097.db2.gz NQIVSNGRDRKTRV-WMZOPIPTSA-N 0 0 492.598 0.683 20 0 JCADRN NC(=O)C1(CNC(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@@H]2CCCO2)C3=O)CCOCC1 ZINC000918566030 1068480202 /nfs/dbraw/zinc/48/02/02/1068480202.db2.gz OMVNSVLABPRXNI-AWEZNQCLSA-N 0 0 451.501 0.022 20 0 JCADRN NC(=O)C1(CNC(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@H]2CCCO2)C3=O)CCOCC1 ZINC000918566031 1068480109 /nfs/dbraw/zinc/48/01/09/1068480109.db2.gz OMVNSVLABPRXNI-CQSZACIVSA-N 0 0 451.501 0.022 20 0 JCADRN NC(=O)CNC(=O)c1cccc(NC(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@@H]2CCCO2)C3=O)c1 ZINC000918566132 1068480254 /nfs/dbraw/zinc/48/02/54/1068480254.db2.gz XBIAWGQWXADWIC-INIZCTEOSA-N 0 0 486.506 0.478 20 0 JCADRN NC(=O)CNC(=O)c1cccc(NC(=O)c2ccc3c(c2)S(=O)(=O)N(C[C@H]2CCCO2)C3=O)c1 ZINC000918566134 1068480140 /nfs/dbraw/zinc/48/01/40/1068480140.db2.gz XBIAWGQWXADWIC-MRXNPFEDSA-N 0 0 486.506 0.478 20 0 JCADRN COc1ccc(NC(=O)[C@@H]2CCCN2C(=O)Cn2c3ccc(S(N)(=O)=O)cc3oc2=O)cc1 ZINC000918567420 1068480213 /nfs/dbraw/zinc/48/02/13/1068480213.db2.gz UZGNSLDROAMVSQ-KRWDZBQOSA-N 0 0 474.495 0.880 20 0 JCADRN COc1ccc(NC(=O)[C@H]2CCCN2C(=O)Cn2c3ccc(S(N)(=O)=O)cc3oc2=O)cc1 ZINC000918567423 1068480225 /nfs/dbraw/zinc/48/02/25/1068480225.db2.gz UZGNSLDROAMVSQ-QGZVFWFLSA-N 0 0 474.495 0.880 20 0 JCADRN COc1cc(NC(=O)[C@@H]2C[C@@H]2C)c(C(=O)NCCC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1OC ZINC000918567487 1068480178 /nfs/dbraw/zinc/48/01/78/1068480178.db2.gz APZSMUFDNPCZTJ-BFHYXJOUSA-N 0 0 467.544 0.722 20 0 JCADRN COc1cc(NC(=O)[C@@H]2C[C@H]2C)c(C(=O)NCCC(=O)N[C@H]2CCS(=O)(=O)C2)cc1OC ZINC000918567488 1068480068 /nfs/dbraw/zinc/48/00/68/1068480068.db2.gz APZSMUFDNPCZTJ-HZSPNIEDSA-N 0 0 467.544 0.722 20 0 JCADRN COc1cc(NC(=O)[C@@H]2C[C@@H]2C)c(C(=O)NCCC(=O)N[C@H]2CCS(=O)(=O)C2)cc1OC ZINC000918567489 1068480119 /nfs/dbraw/zinc/48/01/19/1068480119.db2.gz APZSMUFDNPCZTJ-MELADBBJSA-N 0 0 467.544 0.722 20 0 JCADRN COc1cc(NC(=O)[C@@H]2C[C@H]2C)c(C(=O)NCCC(=O)N[C@@H]2CCS(=O)(=O)C2)cc1OC ZINC000918567490 1068480207 /nfs/dbraw/zinc/48/02/07/1068480207.db2.gz APZSMUFDNPCZTJ-MGPQQGTHSA-N 0 0 467.544 0.722 20 0 JCADRN NC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CC(c4cccc(F)c4)=NO3)CC2)o1 ZINC000918567845 1068480195 /nfs/dbraw/zinc/48/01/95/1068480195.db2.gz AQGJSLLSOWNIII-INIZCTEOSA-N 0 0 450.448 0.544 20 0 JCADRN NC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CC(c4cccc(F)c4)=NO3)CC2)o1 ZINC000918567846 1068480246 /nfs/dbraw/zinc/48/02/46/1068480246.db2.gz AQGJSLLSOWNIII-MRXNPFEDSA-N 0 0 450.448 0.544 20 0 JCADRN CCOC(=O)Cc1ncccc1C(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 ZINC000918567908 1068480183 /nfs/dbraw/zinc/48/01/83/1068480183.db2.gz FGYARQSTVNVBNE-UHFFFAOYSA-N 0 0 450.473 0.026 20 0 JCADRN CC(C)(C)OC(=O)N1CCC[C@@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 ZINC000918568588 1068480232 /nfs/dbraw/zinc/48/02/32/1068480232.db2.gz PKMUQROKUBHBGS-CYBMUJFWSA-N 0 0 456.521 0.611 20 0 JCADRN CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)N1CCN(S(=O)(=O)c2ccc(C(N)=O)o2)CC1 ZINC000918568590 1068480087 /nfs/dbraw/zinc/48/00/87/1068480087.db2.gz PKMUQROKUBHBGS-ZDUSSCGKSA-N 0 0 456.521 0.611 20 0 JCADRN O=C(/C=C\c1ccc(I)o1)NCCC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000918568711 1068477645 /nfs/dbraw/zinc/47/76/45/1068477645.db2.gz BJTJVGUKHKAEJF-GQPNGRKGSA-N 0 0 452.270 0.707 20 0 JCADRN O=C(/C=C\c1ccc(I)o1)NCCC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000918568712 1068477563 /nfs/dbraw/zinc/47/75/63/1068477563.db2.gz BJTJVGUKHKAEJF-WUWIAWFRSA-N 0 0 452.270 0.707 20 0 JCADRN O=C(/C=C/c1ccc(I)o1)NCCC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000918568713 1068477576 /nfs/dbraw/zinc/47/75/76/1068477576.db2.gz BJTJVGUKHKAEJF-XCRNYIDWSA-N 0 0 452.270 0.707 20 0 JCADRN O=C(/C=C/c1ccc(I)o1)NCCC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000918568714 1068477489 /nfs/dbraw/zinc/47/74/89/1068477489.db2.gz BJTJVGUKHKAEJF-YWNRKNDBSA-N 0 0 452.270 0.707 20 0 JCADRN COc1ccc(NC(=O)[C@@H]2CCCN2C(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 ZINC000918568846 1068477551 /nfs/dbraw/zinc/47/75/51/1068477551.db2.gz JJCDDPVCFLCXOI-INIZCTEOSA-N 0 0 454.487 0.462 20 0 JCADRN COc1ccc(NC(=O)[C@H]2CCCN2C(=O)CCn2cnc3c2c(=O)n(C)c(=O)n3C)cc1 ZINC000918568847 1068477517 /nfs/dbraw/zinc/47/75/17/1068477517.db2.gz JJCDDPVCFLCXOI-MRXNPFEDSA-N 0 0 454.487 0.462 20 0 JCADRN COC(=O)c1c(C)oc(C)c1S(=O)(=O)N1CCN(C(=O)CSc2cccc[n+]2[O-])CC1 ZINC000918569173 1068477543 /nfs/dbraw/zinc/47/75/43/1068477543.db2.gz RZKFGQHVRKIHTK-UHFFFAOYSA-N 0 0 469.541 0.942 20 0 JCADRN CC(C)n1ncc2cc(C=CC(=O)N3CCN(S(=O)(=O)c4ccc(C(N)=O)o4)CC3)c(=O)[nH]c21 ZINC000918569280 1068477536 /nfs/dbraw/zinc/47/75/36/1068477536.db2.gz WBUPUVSPUVELKN-HWKANZROSA-N 0 0 488.526 0.544 20 0 JCADRN CC(C)n1ncc2cc(C=CC(=O)N3CCN(S(=O)(=O)c4ccc(C(N)=O)o4)CC3)c(=O)[nH]c21 ZINC000918569283 1068477583 /nfs/dbraw/zinc/47/75/83/1068477583.db2.gz WBUPUVSPUVELKN-HYXAFXHYSA-N 0 0 488.526 0.544 20 0 JCADRN O=C(CCNC(=O)[C@@H]1CCCCN1C(=O)OCc1ccccc1)N[C@@H]1CCS(=O)(=O)C1 ZINC000918569355 1068478208 /nfs/dbraw/zinc/47/82/08/1068478208.db2.gz HGSHIMAHQYPONC-MSOLQXFVSA-N 0 0 451.545 0.987 20 0 JCADRN O=C(CCNC(=O)[C@H]1CCCCN1C(=O)OCc1ccccc1)N[C@@H]1CCS(=O)(=O)C1 ZINC000918569356 1068478076 /nfs/dbraw/zinc/47/80/76/1068478076.db2.gz HGSHIMAHQYPONC-QZTJIDSGSA-N 0 0 451.545 0.987 20 0 JCADRN O=C(CCNC(=O)[C@@H]1CCCCN1C(=O)OCc1ccccc1)N[C@H]1CCS(=O)(=O)C1 ZINC000918569357 1068478063 /nfs/dbraw/zinc/47/80/63/1068478063.db2.gz HGSHIMAHQYPONC-ROUUACIJSA-N 0 0 451.545 0.987 20 0 JCADRN O=C(CCNC(=O)[C@H]1CCCCN1C(=O)OCc1ccccc1)N[C@H]1CCS(=O)(=O)C1 ZINC000918569358 1068478112 /nfs/dbraw/zinc/47/81/12/1068478112.db2.gz HGSHIMAHQYPONC-ZWKOTPCHSA-N 0 0 451.545 0.987 20 0 JCADRN COC(=O)c1c(C)oc(C)c1S(=O)(=O)N1CCN(C(=O)CS[C@H]2CCS(=O)(=O)C2)CC1 ZINC000918569467 1068478222 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C[C@@H](C(=O)OCC(=O)N1CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1)N1C(=O)CCC1=O ZINC000919259882 1068652163 /nfs/dbraw/zinc/65/21/63/1068652163.db2.gz NHJWPMKXXWOBJM-AWEZNQCLSA-N 0 0 498.458 0.869 20 0 JCADRN C[C@H](C(=O)OCC(=O)N1CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1)N1C(=O)CCC1=O ZINC000919259883 1068652177 /nfs/dbraw/zinc/65/21/77/1068652177.db2.gz NHJWPMKXXWOBJM-CQSZACIVSA-N 0 0 498.458 0.869 20 0 JCADRN C[C@@H](C(=O)OCC(=O)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21)N1C(=O)CCC1=O ZINC000919259935 1068652143 /nfs/dbraw/zinc/65/21/43/1068652143.db2.gz OQANAYFDCFZXOG-HNNXBMFYSA-N 0 0 477.539 0.831 20 0 JCADRN C[C@H](C(=O)OCC(=O)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21)N1C(=O)CCC1=O ZINC000919259936 1068652194 /nfs/dbraw/zinc/65/21/94/1068652194.db2.gz OQANAYFDCFZXOG-OAHLLOKOSA-N 0 0 477.539 0.831 20 0 JCADRN CCOC(=O)c1c(C)c(C(=O)N(C)C)sc1NC(=O)COC(=O)[C@@H](C)N1C(=O)CCC1=O ZINC000919260102 1068652181 /nfs/dbraw/zinc/65/21/81/1068652181.db2.gz KHWUPAKTQMMUCJ-LLVKDONJSA-N 0 0 467.500 0.954 20 0 JCADRN CCOC(=O)c1c(C)c(C(=O)N(C)C)sc1NC(=O)COC(=O)[C@H](C)N1C(=O)CCC1=O ZINC000919260105 1068652075 /nfs/dbraw/zinc/65/20/75/1068652075.db2.gz KHWUPAKTQMMUCJ-NSHDSACASA-N 0 0 467.500 0.954 20 0 JCADRN C[C@H](OC(=O)CCn1ccccc1=O)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000919260153 1068652672 /nfs/dbraw/zinc/65/26/72/1068652672.db2.gz LMQCNKFXEAHJPA-INIZCTEOSA-N 0 0 463.512 0.830 20 0 JCADRN C[C@H](C(=O)OCC(=O)N1CCCc2cc(S(=O)(=O)N(C)C)ccc21)N1C(=O)CCC1=O ZINC000919260241 1068652131 /nfs/dbraw/zinc/65/21/31/1068652131.db2.gz RTBAVXZOYPIUJO-CYBMUJFWSA-N 0 0 451.501 0.297 20 0 JCADRN C[C@@H](C(=O)OCC(=O)N1CCCc2cc(S(=O)(=O)N(C)C)ccc21)N1C(=O)CCC1=O ZINC000919260242 1068652202 /nfs/dbraw/zinc/65/22/02/1068652202.db2.gz RTBAVXZOYPIUJO-ZDUSSCGKSA-N 0 0 451.501 0.297 20 0 JCADRN C[C@@H](C(=O)OCC(=O)N1CCCc2cc(S(=O)(=O)N3CCCC3)ccc21)N1C(=O)CCC1=O ZINC000919260246 1068652688 /nfs/dbraw/zinc/65/26/88/1068652688.db2.gz SACVHJQEXZJONF-HNNXBMFYSA-N 0 0 477.539 0.831 20 0 JCADRN C[C@H](C(=O)OCC(=O)N1CCCc2cc(S(=O)(=O)N3CCCC3)ccc21)N1C(=O)CCC1=O ZINC000919260247 1068652685 /nfs/dbraw/zinc/65/26/85/1068652685.db2.gz SACVHJQEXZJONF-OAHLLOKOSA-N 0 0 477.539 0.831 20 0 JCADRN C[C@@H](OC(=O)CCn1ccccc1=O)C(=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000919260275 1068652681 /nfs/dbraw/zinc/65/26/81/1068652681.db2.gz LMQCNKFXEAHJPA-MRXNPFEDSA-N 0 0 463.512 0.830 20 0 JCADRN Cc1ccc(NC(=O)[C@H](C)OC(=O)[C@@H](C)N2C(=O)CCC2=O)cc1S(=O)(=O)N1CCOCC1 ZINC000919260329 1068652652 /nfs/dbraw/zinc/65/26/52/1068652652.db2.gz UTSSJMZHWRYQCE-CABCVRRESA-N 0 0 481.527 0.424 20 0 JCADRN Cc1ccc(NC(=O)[C@H](C)OC(=O)[C@H](C)N2C(=O)CCC2=O)cc1S(=O)(=O)N1CCOCC1 ZINC000919260330 1068652646 /nfs/dbraw/zinc/65/26/46/1068652646.db2.gz UTSSJMZHWRYQCE-GJZGRUSLSA-N 0 0 481.527 0.424 20 0 JCADRN Cc1ccc(NC(=O)[C@@H](C)OC(=O)[C@@H](C)N2C(=O)CCC2=O)cc1S(=O)(=O)N1CCOCC1 ZINC000919260332 1068652713 /nfs/dbraw/zinc/65/27/13/1068652713.db2.gz UTSSJMZHWRYQCE-HUUCEWRRSA-N 0 0 481.527 0.424 20 0 JCADRN Cc1ccc(NC(=O)[C@@H](C)OC(=O)[C@H](C)N2C(=O)CCC2=O)cc1S(=O)(=O)N1CCOCC1 ZINC000919260334 1068652668 /nfs/dbraw/zinc/65/26/68/1068652668.db2.gz UTSSJMZHWRYQCE-LSDHHAIUSA-N 0 0 481.527 0.424 20 0 JCADRN C[C@H](C(=O)OCC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)N1C(=O)CCC1=O ZINC000919260450 1068652623 /nfs/dbraw/zinc/65/26/23/1068652623.db2.gz ODAHJKURKTWVBP-GFCCVEGCSA-N 0 0 487.918 0.380 20 0 JCADRN C[C@@H](C(=O)OCC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1)N1C(=O)CCC1=O ZINC000919260453 1068652708 /nfs/dbraw/zinc/65/27/08/1068652708.db2.gz ODAHJKURKTWVBP-LBPRGKRZSA-N 0 0 487.918 0.380 20 0 JCADRN COc1ccc(NC(=O)COC(=O)[C@H](C)N2C(=O)CCC2=O)cc1S(=O)(=O)N1CCCCC1 ZINC000919260650 1068652734 /nfs/dbraw/zinc/65/27/34/1068652734.db2.gz VWQOPICCJFTMRU-AWEZNQCLSA-N 0 0 481.527 0.889 20 0 JCADRN COc1ccc(NC(=O)COC(=O)[C@@H](C)N2C(=O)CCC2=O)cc1S(=O)(=O)N1CCCCC1 ZINC000919260651 1068652656 /nfs/dbraw/zinc/65/26/56/1068652656.db2.gz VWQOPICCJFTMRU-CQSZACIVSA-N 0 0 481.527 0.889 20 0 JCADRN O=C(CCn1ccccc1=O)OCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC000919260797 1068652727 /nfs/dbraw/zinc/65/27/27/1068652727.db2.gz RAHLXXYKZODKMM-UHFFFAOYSA-N 0 0 467.931 0.968 20 0 JCADRN CC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)COC(=O)CCn3ccccc3=O)CC2)c1 ZINC000919260815 1068652676 /nfs/dbraw/zinc/65/26/76/1068652676.db2.gz RDIFGGSEKRSPQL-UHFFFAOYSA-N 0 0 475.523 0.517 20 0 JCADRN C[C@@H](OC(=O)[C@@H](C)N1C(=O)CCC1=O)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000919260834 1068652663 /nfs/dbraw/zinc/65/26/63/1068652663.db2.gz XNTGQWVTDPVXQU-GHMZBOCLSA-N 0 0 459.908 0.998 20 0 JCADRN C[C@H](C(=O)O[C@@H](C)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1)N1C(=O)CCC1=O ZINC000919260838 1068652705 /nfs/dbraw/zinc/65/27/05/1068652705.db2.gz XNTGQWVTDPVXQU-MNOVXSKESA-N 0 0 459.908 0.998 20 0 JCADRN C[C@H](OC(=O)[C@H](C)N1C(=O)CCC1=O)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000919260842 1068652722 /nfs/dbraw/zinc/65/27/22/1068652722.db2.gz XNTGQWVTDPVXQU-QWRGUYRKSA-N 0 0 459.908 0.998 20 0 JCADRN C[C@@H](OC(=O)[C@H](C)N1C(=O)CCC1=O)C(=O)Nc1ccc(Cl)c(S(=O)(=O)N(C)C)c1 ZINC000919260844 1068652694 /nfs/dbraw/zinc/65/26/94/1068652694.db2.gz XNTGQWVTDPVXQU-WDEREUQCSA-N 0 0 459.908 0.998 20 0 JCADRN Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)COC(=O)[C@H](C)N2C(=O)CCC2=O)CC1 ZINC000919261206 1068652699 /nfs/dbraw/zinc/65/26/99/1068652699.db2.gz SMWXHGZVSOLXEX-KRWDZBQOSA-N 0 0 458.515 0.467 20 0 JCADRN Cc1cccc(C)c1NC(=O)CN1CCN(C(=O)COC(=O)[C@@H](C)N2C(=O)CCC2=O)CC1 ZINC000919261207 1068652639 /nfs/dbraw/zinc/65/26/39/1068652639.db2.gz SMWXHGZVSOLXEX-QGZVFWFLSA-N 0 0 458.515 0.467 20 0 JCADRN CCOC(=O)C1=C(COC(=O)[C@@H](C)N2C(=O)CCC2=O)NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000919261522 1068653470 /nfs/dbraw/zinc/65/34/70/1068653470.db2.gz WOEDAHUDMNHRDY-BLVKFPJESA-N 0 0 459.455 0.947 20 0 JCADRN CCOC(=O)C1=C(COC(=O)[C@H](C)N2C(=O)CCC2=O)NC(=O)N[C@H]1c1ccc(OC)cc1 ZINC000919261524 1068653480 /nfs/dbraw/zinc/65/34/80/1068653480.db2.gz WOEDAHUDMNHRDY-BUXKBTBVSA-N 0 0 459.455 0.947 20 0 JCADRN CCOC(=O)C1=C(COC(=O)[C@@H](C)N2C(=O)CCC2=O)NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000919261525 1068653434 /nfs/dbraw/zinc/65/34/34/1068653434.db2.gz WOEDAHUDMNHRDY-CWTRNNRKSA-N 0 0 459.455 0.947 20 0 JCADRN CCOC(=O)C1=C(COC(=O)[C@H](C)N2C(=O)CCC2=O)NC(=O)N[C@@H]1c1ccc(OC)cc1 ZINC000919261527 1068653399 /nfs/dbraw/zinc/65/33/99/1068653399.db2.gz WOEDAHUDMNHRDY-HXPMCKFVSA-N 0 0 459.455 0.947 20 0 JCADRN C[C@@H]1CN(Cc2ccc(C(=O)OCC(=O)N3CCN(CC(=O)N(C)C)CC3)cc2)C[C@H](C)O1 ZINC000919261586 1068653379 /nfs/dbraw/zinc/65/33/79/1068653379.db2.gz GMFRZRPTUQDSLV-KDURUIRLSA-N 0 0 460.575 0.685 20 0 JCADRN C[C@H]1CN(Cc2ccc(C(=O)OCC(=O)N3CCN(CC(=O)N(C)C)CC3)cc2)C[C@H](C)O1 ZINC000919261591 1068653417 /nfs/dbraw/zinc/65/34/17/1068653417.db2.gz GMFRZRPTUQDSLV-OALUTQOASA-N 0 0 460.575 0.685 20 0 JCADRN C[C@@H]1CN(Cc2ccc(C(=O)OCC(=O)N3CCN(CC(=O)N(C)C)CC3)cc2)C[C@@H](C)O1 ZINC000919261595 1068653341 /nfs/dbraw/zinc/65/33/41/1068653341.db2.gz GMFRZRPTUQDSLV-RTBURBONSA-N 0 0 460.575 0.685 20 0 JCADRN O=C(COC(=O)Cn1ncc2ccccc2c1=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000919262223 1068653363 /nfs/dbraw/zinc/65/33/63/1068653363.db2.gz AMJBYKLQTUWZRJ-UHFFFAOYSA-N 0 0 486.506 0.599 20 0 JCADRN CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)COC(=O)Cn2ncc3ccccc3c2=O)C1=O ZINC000919262231 1068653315 /nfs/dbraw/zinc/65/33/15/1068653315.db2.gz BGTODUSXEALPSU-HSZRJFAPSA-N 0 0 463.450 0.828 20 0 JCADRN CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)COC(=O)Cn2ncc3ccccc3c2=O)C1=O ZINC000919262232 1068653368 /nfs/dbraw/zinc/65/33/68/1068653368.db2.gz BGTODUSXEALPSU-QHCPKHFHSA-N 0 0 463.450 0.828 20 0 JCADRN C[C@H](OC(=O)Cn1ncc2ccccc2c1=O)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000919262342 1068653288 /nfs/dbraw/zinc/65/32/88/1068653288.db2.gz IZOCZPVUQJYGGT-AWEZNQCLSA-N 0 0 458.496 0.335 20 0 JCADRN C[C@@H](OC(=O)Cn1ncc2ccccc2c1=O)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000919262344 1068653306 /nfs/dbraw/zinc/65/33/06/1068653306.db2.gz IZOCZPVUQJYGGT-CQSZACIVSA-N 0 0 458.496 0.335 20 0 JCADRN O=C(Cn1ncc2ccccc2c1=O)OCC(=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000919262376 1068653334 /nfs/dbraw/zinc/65/33/34/1068653334.db2.gz LARNTIDSVDKKMI-UHFFFAOYSA-N 0 0 488.497 0.612 20 0 JCADRN O=C(CN1CCN(C(=O)COC(=O)Cn2ncc3ccccc3c2=O)CC1)Nc1ccc(F)cc1 ZINC000919262638 1068653374 /nfs/dbraw/zinc/65/33/74/1068653374.db2.gz QLCAYDRWANDVDE-UHFFFAOYSA-N 0 0 481.484 0.862 20 0 JCADRN Cn1c(=O)c(C(=O)COC(=O)Cn2ncc3ccccc3c2=O)c(N)n(Cc2ccccc2)c1=O ZINC000919262646 1068653353 /nfs/dbraw/zinc/65/33/53/1068653353.db2.gz RHWPAFCQZGHGQN-UHFFFAOYSA-N 0 0 475.461 0.314 20 0 JCADRN O=C(Cn1ncc2ccccc2c1=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000919262667 1068653458 /nfs/dbraw/zinc/65/34/58/1068653458.db2.gz UCBFJNOEZWZCKJ-UHFFFAOYSA-N 0 0 488.497 0.612 20 0 JCADRN COc1ccc(NC(=O)COC(=O)Cn2ncc3ccccc3c2=O)cc1S(=O)(=O)N(C)C ZINC000919262754 1068653357 /nfs/dbraw/zinc/65/33/57/1068653357.db2.gz YGTRGCZRHCDGDC-UHFFFAOYSA-N 0 0 474.495 0.837 20 0 JCADRN O=C(Cn1ncc2ccccc2c1=O)OCC(=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000919262787 1068653323 /nfs/dbraw/zinc/65/33/23/1068653323.db2.gz BZQVWYAHNJREKN-UHFFFAOYSA-N 0 0 470.507 0.473 20 0 JCADRN O=C(COC(=O)Cn1ncc2ccccc2c1=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC000919262975 1068654222 /nfs/dbraw/zinc/65/42/22/1068654222.db2.gz GBUPQFXZOUSVLE-UHFFFAOYSA-N 0 0 486.506 0.599 20 0 JCADRN CCn1c(=O)c(C(=O)COC(=O)Cn2ncc3ccccc3c2=O)c(N)n(Cc2ccccc2)c1=O ZINC000919263055 1068654032 /nfs/dbraw/zinc/65/40/32/1068654032.db2.gz LAMCTTXERKDCOX-UHFFFAOYSA-N 0 0 489.488 0.796 20 0 JCADRN Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)COC(=O)Cn2ncc3ccccc3c2=O)CC1 ZINC000919263075 1068654205 /nfs/dbraw/zinc/65/42/05/1068654205.db2.gz GYZPPKYWBGTGHT-UHFFFAOYSA-N 0 0 489.510 0.078 20 0 JCADRN O=C(COC(=O)Cn1ncc2ccccc2c1=O)NCc1ccc(C(=O)N2CCOCC2)cc1 ZINC000919263250 1068654123 /nfs/dbraw/zinc/65/41/23/1068654123.db2.gz ILHCDUIISGWPIT-UHFFFAOYSA-N 0 0 464.478 0.729 20 0 JCADRN CCCCn1c(N)c(N(CC)C(=O)COC(=O)Cn2ncc3ccccc3c2=O)c(=O)[nH]c1=O ZINC000919263289 1068654133 /nfs/dbraw/zinc/65/41/33/1068654133.db2.gz IRHKRYSMONFJSM-UHFFFAOYSA-N 0 0 470.486 0.637 20 0 JCADRN O=C(Cn1ncc2ccccc2c1=O)OCC(=O)N1CCN(S(=O)(=O)c2cccc(F)c2)CC1 ZINC000919263318 1068654044 /nfs/dbraw/zinc/65/40/44/1068654044.db2.gz JGJCPFGYMXLEKL-UHFFFAOYSA-N 0 0 488.497 0.612 20 0 JCADRN COc1ccc([C@@]2(C)NC(=O)N(NC(=O)COC(=O)Cn3ncc4ccccc4c3=O)C2=O)cc1 ZINC000919263507 1068654161 /nfs/dbraw/zinc/65/41/61/1068654161.db2.gz PCYJJDUFZUHQJZ-HSZRJFAPSA-N 0 0 479.449 0.447 20 0 JCADRN COc1ccc([C@]2(C)NC(=O)N(NC(=O)COC(=O)Cn3ncc4ccccc4c3=O)C2=O)cc1 ZINC000919263511 1068654094 /nfs/dbraw/zinc/65/40/94/1068654094.db2.gz PCYJJDUFZUHQJZ-QHCPKHFHSA-N 0 0 479.449 0.447 20 0 JCADRN C[C@@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)COC(=O)Cn1ncc2ccccc2c1=O ZINC000919263660 1068654167 /nfs/dbraw/zinc/65/41/67/1068654167.db2.gz TXUZVABBUNBFLC-CYBMUJFWSA-N 0 0 456.480 0.565 20 0 JCADRN C[C@H]1Cc2cc(S(N)(=O)=O)ccc2N1C(=O)COC(=O)Cn1ncc2ccccc2c1=O ZINC000919263663 1068654197 /nfs/dbraw/zinc/65/41/97/1068654197.db2.gz TXUZVABBUNBFLC-ZDUSSCGKSA-N 0 0 456.480 0.565 20 0 JCADRN O=C(Cn1ncc2ccccc2c1=O)OCC(=O)N(C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000919263711 1068654015 /nfs/dbraw/zinc/65/40/15/1068654015.db2.gz VOOZYCWUVNHWJG-DLBZAZTESA-N 0 0 463.512 0.134 20 0 JCADRN O=C(Cn1ncc2ccccc2c1=O)OCC(=O)N(C[C@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000919263712 1068654077 /nfs/dbraw/zinc/65/40/77/1068654077.db2.gz VOOZYCWUVNHWJG-IAGOWNOFSA-N 0 0 463.512 0.134 20 0 JCADRN O=C(Cn1ncc2ccccc2c1=O)OCC(=O)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1 ZINC000919263713 1068654229 /nfs/dbraw/zinc/65/42/29/1068654229.db2.gz VOOZYCWUVNHWJG-IRXDYDNUSA-N 0 0 463.512 0.134 20 0 JCADRN O=C(Cn1ncc2ccccc2c1=O)OCC(=O)N(C[C@@H]1CCCO1)[C@@H]1CCS(=O)(=O)C1 ZINC000919263716 1068654116 /nfs/dbraw/zinc/65/41/16/1068654116.db2.gz VOOZYCWUVNHWJG-SJORKVTESA-N 0 0 463.512 0.134 20 0 JCADRN C[C@@H]1CN(Cc2ccc(C(=O)OCC(=O)N3CCN([C@H]4CCS(=O)(=O)C4)CC3)cc2)C[C@H](C)O1 ZINC000919264371 1068654179 /nfs/dbraw/zinc/65/41/79/1068654179.db2.gz MGPNZDRGPNQLEX-JQVVWYNYSA-N 0 0 493.626 0.784 20 0 JCADRN C[C@@H]1CN(Cc2ccc(C(=O)OCC(=O)N3CCN([C@H]4CCS(=O)(=O)C4)CC3)cc2)C[C@@H](C)O1 ZINC000919264372 1068654057 /nfs/dbraw/zinc/65/40/57/1068654057.db2.gz MGPNZDRGPNQLEX-KNKQGSTJSA-N 0 0 493.626 0.784 20 0 JCADRN C[C@@H]1CN(Cc2ccc(C(=O)OCC(=O)N3CCN([C@@H]4CCS(=O)(=O)C4)CC3)cc2)C[C@@H](C)O1 ZINC000919264373 1068654237 /nfs/dbraw/zinc/65/42/37/1068654237.db2.gz MGPNZDRGPNQLEX-WOIUINJBSA-N 0 0 493.626 0.784 20 0 JCADRN C[C@@H]1CN(Cc2ccc(C(=O)OCC(=O)N3CCN([C@@H]4CCS(=O)(=O)C4)CC3)cc2)C[C@H](C)O1 ZINC000919264374 1068654140 /nfs/dbraw/zinc/65/41/40/1068654140.db2.gz MGPNZDRGPNQLEX-XQBPLPMBSA-N 0 0 493.626 0.784 20 0 JCADRN O=C(Cn1ncc2ccccc2c1=O)OCC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000919264518 1068654210 /nfs/dbraw/zinc/65/42/10/1068654210.db2.gz HRVHQEGXGASCJL-UHFFFAOYSA-N 0 0 484.534 0.614 20 0 JCADRN C[C@H](OC(=O)Cn1ncc2ccccc2c1=O)C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000919264714 1068654813 /nfs/dbraw/zinc/65/48/13/1068654813.db2.gz ULNFXRXXFMYVQR-KBPBESRZSA-N 0 0 458.496 0.853 20 0 JCADRN C[C@@H](NC(=O)[C@H](C)OC(=O)Cn1ncc2ccccc2c1=O)c1ccc(S(N)(=O)=O)cc1 ZINC000919264715 1068654707 /nfs/dbraw/zinc/65/47/07/1068654707.db2.gz ULNFXRXXFMYVQR-KGLIPLIRSA-N 0 0 458.496 0.853 20 0 JCADRN C[C@@H](OC(=O)Cn1ncc2ccccc2c1=O)C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000919264716 1068654856 /nfs/dbraw/zinc/65/48/56/1068654856.db2.gz ULNFXRXXFMYVQR-UONOGXRCSA-N 0 0 458.496 0.853 20 0 JCADRN C[C@@H](OC(=O)Cn1ncc2ccccc2c1=O)C(=O)N[C@H](C)c1ccc(S(N)(=O)=O)cc1 ZINC000919264717 1068654807 /nfs/dbraw/zinc/65/48/07/1068654807.db2.gz ULNFXRXXFMYVQR-ZIAGYGMSSA-N 0 0 458.496 0.853 20 0 JCADRN C[C@@H]1CN(Cc2ccc(C(=O)OCC(=O)NCCCN(C)S(C)(=O)=O)cc2)C[C@H](C)O1 ZINC000919264952 1068654830 /nfs/dbraw/zinc/65/48/30/1068654830.db2.gz UGLMJLIKOWUXHW-CALCHBBNSA-N 0 0 455.577 0.850 20 0 JCADRN C[C@@H]1CN(Cc2ccc(C(=O)OCC(=O)NCCCN(C)S(C)(=O)=O)cc2)C[C@@H](C)O1 ZINC000919264953 1068654759 /nfs/dbraw/zinc/65/47/59/1068654759.db2.gz UGLMJLIKOWUXHW-IAGOWNOFSA-N 0 0 455.577 0.850 20 0 JCADRN C[C@H]1CN(Cc2ccc(C(=O)OCC(=O)NCCCN(C)S(C)(=O)=O)cc2)C[C@H](C)O1 ZINC000919264954 1068654742 /nfs/dbraw/zinc/65/47/42/1068654742.db2.gz UGLMJLIKOWUXHW-IRXDYDNUSA-N 0 0 455.577 0.850 20 0 JCADRN O=C(CN1CCN(C(=O)COC(=O)c2cnc3sccn3c2=O)CC1)Nc1ccc(F)cc1 ZINC000919265063 1068654820 /nfs/dbraw/zinc/65/48/20/1068654820.db2.gz AEQGIGVIWUVERR-UHFFFAOYSA-N 0 0 473.486 0.835 20 0 JCADRN Cn1c(=O)c(C(=O)COC(=O)c2cnc3sccn3c2=O)c(N)n(Cc2ccccc2)c1=O ZINC000919265165 1068654882 /nfs/dbraw/zinc/65/48/82/1068654882.db2.gz GCXQASHGOCIHBO-UHFFFAOYSA-N 0 0 467.463 0.287 20 0 JCADRN C[C@@H](OC(=O)c1cnc2sccn2c1=O)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000919265284 1068654904 /nfs/dbraw/zinc/65/49/04/1068654904.db2.gz HAHLNBBPANMMPP-LLVKDONJSA-N 0 0 450.498 0.308 20 0 JCADRN C[C@H](OC(=O)c1cnc2sccn2c1=O)C(=O)NCCc1ccc(S(N)(=O)=O)cc1 ZINC000919265285 1068654874 /nfs/dbraw/zinc/65/48/74/1068654874.db2.gz HAHLNBBPANMMPP-NSHDSACASA-N 0 0 450.498 0.308 20 0 JCADRN O=C(COC(=O)c1cnc2sccn2c1=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000919265649 1068654734 /nfs/dbraw/zinc/65/47/34/1068654734.db2.gz ADTPNVGPJPDTJE-UHFFFAOYSA-N 0 0 476.536 0.587 20 0 JCADRN COc1ccc(NC(=O)COC(=O)c2cnc3sccn3c2=O)cc1S(=O)(=O)N(C)C ZINC000919265728 1068654847 /nfs/dbraw/zinc/65/48/47/1068654847.db2.gz PSZSVJXTSHMORD-UHFFFAOYSA-N 0 0 466.497 0.810 20 0 JCADRN CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)COC(=O)c2cnc3sccn3c2=O)C1=O ZINC000919265831 1068654775 /nfs/dbraw/zinc/65/47/75/1068654775.db2.gz SYCLZFRGFAIVFN-FQEVSTJZSA-N 0 0 455.452 0.801 20 0 JCADRN CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)COC(=O)c2cnc3sccn3c2=O)C1=O ZINC000919265832 1068654909 /nfs/dbraw/zinc/65/49/09/1068654909.db2.gz SYCLZFRGFAIVFN-HXUWFJFHSA-N 0 0 455.452 0.801 20 0 JCADRN O=C(COC(=O)c1cnc2sccn2c1=O)N1CCN(S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000919265937 1068654864 /nfs/dbraw/zinc/65/48/64/1068654864.db2.gz UTKGABHHMPCUCC-UHFFFAOYSA-N 0 0 480.499 0.585 20 0 JCADRN O=C(COC(=O)c1cnc2sccn2c1=O)N1CCN(S(=O)(=O)c2ccccc2F)CC1 ZINC000919265950 1068655517 /nfs/dbraw/zinc/65/55/17/1068655517.db2.gz UXIWABVRGPRAPD-UHFFFAOYSA-N 0 0 480.499 0.585 20 0 JCADRN COc1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)c3cnc4sccn4c3=O)CC2)cc1 ZINC000919265988 1068655512 /nfs/dbraw/zinc/65/55/12/1068655512.db2.gz WCAJJGVCKIONGX-UHFFFAOYSA-N 0 0 492.535 0.455 20 0 JCADRN CCOc1ccc(S(=O)(=O)N2CCN(C(=O)COC(=O)c3ccn(C)c(=O)c3)CC2)cc1 ZINC000919266023 1068655385 /nfs/dbraw/zinc/65/53/85/1068655385.db2.gz KFLAVZFKBCMBHR-UHFFFAOYSA-N 0 0 463.512 0.474 20 0 JCADRN O=C(COC(=O)c1cnc2sccn2c1=O)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000919266075 1068655469 /nfs/dbraw/zinc/65/54/69/1068655469.db2.gz BPWVJGZPIGTIJN-UHFFFAOYSA-N 0 0 462.509 0.446 20 0 JCADRN O=C(COC(=O)c1cnc2sccn2c1=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000919266123 1068655474 /nfs/dbraw/zinc/65/54/74/1068655474.db2.gz XLVZNYPRTOSNGE-UHFFFAOYSA-N 0 0 478.508 0.572 20 0 JCADRN COCCN(C(=O)COC(=O)c1cnc2sccn2c1=O)c1c(N)n(CC(C)C)c(=O)[nH]c1=O 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C[C@@H]1CN(C(=O)COC(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)/C=C/c2ccccc2)CCO1 ZINC000928977748 1070456566 /nfs/dbraw/zinc/45/65/66/1070456566.db2.gz IBZYYWCEZNWKOQ-QGNJLSNNSA-N 0 0 488.584 0.171 20 0 JCADRN C[C@@H]1CN(C(=O)COC(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)/C=C\c2ccccc2)CCO1 ZINC000928977749 1070456453 /nfs/dbraw/zinc/45/64/53/1070456453.db2.gz IBZYYWCEZNWKOQ-ZQRAMTPHSA-N 0 0 488.584 0.171 20 0 JCADRN C[C@H](OC(=O)CCNS(=O)(=O)c1ccc(Cl)nc1)C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000928978067 1070456554 /nfs/dbraw/zinc/45/65/54/1070456554.db2.gz SMAOTEUQDXQBRJ-AWEZNQCLSA-N 0 0 498.945 0.913 20 0 JCADRN C[C@@H](OC(=O)CCNS(=O)(=O)c1ccc(Cl)nc1)C(=O)N1CCN(C(=O)c2ccco2)CC1 ZINC000928978068 1070456525 /nfs/dbraw/zinc/45/65/25/1070456525.db2.gz SMAOTEUQDXQBRJ-CQSZACIVSA-N 0 0 498.945 0.913 20 0 JCADRN O=C(CCNS(=O)(=O)c1ccc(Cl)nc1)OCC(=O)N1CCN(c2cnccn2)CC1 ZINC000928978372 1070456590 /nfs/dbraw/zinc/45/65/90/1070456590.db2.gz GAQLJAJHGCPFSW-UHFFFAOYSA-N 0 0 468.923 0.085 20 0 JCADRN 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CC(C)[C@@H](OC(=O)CCNS(=O)(=O)c1ccc(Cl)nc1)C(=O)N[C@@]1(C)CCS(=O)(=O)C1 ZINC000928978455 1070457489 /nfs/dbraw/zinc/45/74/89/1070457489.db2.gz JVZYNABVUWHVKT-AEFFLSMTSA-N 0 0 496.007 0.665 20 0 JCADRN CC(C)[C@H](OC(=O)CCNS(=O)(=O)c1ccc(Cl)nc1)C(=O)N[C@]1(C)CCS(=O)(=O)C1 ZINC000928978456 1070457418 /nfs/dbraw/zinc/45/74/18/1070457418.db2.gz JVZYNABVUWHVKT-FUHWJXTLSA-N 0 0 496.007 0.665 20 0 JCADRN CC(C)[C@@H](OC(=O)CCNS(=O)(=O)c1ccc(Cl)nc1)C(=O)N[C@]1(C)CCS(=O)(=O)C1 ZINC000928978457 1070457546 /nfs/dbraw/zinc/45/75/46/1070457546.db2.gz JVZYNABVUWHVKT-SJLPKXTDSA-N 0 0 496.007 0.665 20 0 JCADRN CC(C)[C@H](OC(=O)CCNS(=O)(=O)c1ccc(Cl)nc1)C(=O)N[C@@]1(C)CCS(=O)(=O)C1 ZINC000928978458 1070457389 /nfs/dbraw/zinc/45/73/89/1070457389.db2.gz JVZYNABVUWHVKT-WMZOPIPTSA-N 0 0 496.007 0.665 20 0 JCADRN CC(=O)N1CCN(C(=O)[C@H](OC(=O)CCNS(=O)(=O)c2ccc(Cl)nc2)C(C)C)CC1 ZINC000928978471 1070457319 /nfs/dbraw/zinc/45/73/19/1070457319.db2.gz KQHJSRNCYMCFBW-GOSISDBHSA-N 0 0 474.967 0.662 20 0 JCADRN CC(=O)N1CCN(C(=O)[C@@H](OC(=O)CCNS(=O)(=O)c2ccc(Cl)nc2)C(C)C)CC1 ZINC000928978472 1070457533 /nfs/dbraw/zinc/45/75/33/1070457533.db2.gz KQHJSRNCYMCFBW-SFHVURJKSA-N 0 0 474.967 0.662 20 0 JCADRN CC(C)[C@@H](OC(=O)CCNS(=O)(=O)c1ccc(Cl)nc1)C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000928978497 1070457377 /nfs/dbraw/zinc/45/73/77/1070457377.db2.gz LLKYSYVBPBKWLB-CXAGYDPISA-N 0 0 474.967 0.695 20 0 JCADRN CC(C)[C@H](OC(=O)CCNS(=O)(=O)c1ccc(Cl)nc1)C(=O)N1CCC[C@@H](C(N)=O)C1 ZINC000928978498 1070457341 /nfs/dbraw/zinc/45/73/41/1070457341.db2.gz LLKYSYVBPBKWLB-DYVFJYSZSA-N 0 0 474.967 0.695 20 0 JCADRN CC(C)[C@H](OC(=O)CCNS(=O)(=O)c1ccc(Cl)nc1)C(=O)N1CCC[C@H](C(N)=O)C1 ZINC000928978499 1070457516 /nfs/dbraw/zinc/45/75/16/1070457516.db2.gz LLKYSYVBPBKWLB-GUYCJALGSA-N 0 0 474.967 0.695 20 0 JCADRN CC(C)[C@@H](OC(=O)CCNS(=O)(=O)c1ccc(Cl)nc1)C(=O)N1CCC[C@H](C(N)=O)C1 ZINC000928978500 1070457457 /nfs/dbraw/zinc/45/74/57/1070457457.db2.gz LLKYSYVBPBKWLB-SUMWQHHRSA-N 0 0 474.967 0.695 20 0 JCADRN 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CCOC(=O)N1CCN(C(=O)[C@@H](C)OC(=O)CCNS(=O)(=O)c2ccc(Cl)nc2)CC1 ZINC000928978928 1070457982 /nfs/dbraw/zinc/45/79/82/1070457982.db2.gz XJXJKYJZTSWSNE-CYBMUJFWSA-N 0 0 476.939 0.636 20 0 JCADRN CCOC(=O)N1CCN(C(=O)[C@H](C)OC(=O)CCNS(=O)(=O)c2ccc(Cl)nc2)CC1 ZINC000928978929 1070457960 /nfs/dbraw/zinc/45/79/60/1070457960.db2.gz XJXJKYJZTSWSNE-ZDUSSCGKSA-N 0 0 476.939 0.636 20 0 JCADRN Cc1nn(C)c2nc(C)c(CCC(=O)OCC(=O)N3CCN(CC(=O)N(C)C)CC3)c(C)c12 ZINC000928979350 1070458004 /nfs/dbraw/zinc/45/80/04/1070458004.db2.gz AJDIPOMICXSQEV-UHFFFAOYSA-N 0 0 458.563 0.602 20 0 JCADRN COc1ccc(S(=O)(=O)N(C)CCCC(=O)O[C@H](C)C(=O)N2CCC[C@H](C(N)=O)C2)cc1 ZINC000928979465 1070457887 /nfs/dbraw/zinc/45/78/87/1070457887.db2.gz CSOTWMLXKQKHRQ-CVEARBPZSA-N 0 0 469.560 0.752 20 0 JCADRN COc1ccc(S(=O)(=O)N(C)CCCC(=O)O[C@@H](C)C(=O)N2CCC[C@H](C(N)=O)C2)cc1 ZINC000928979467 1070457826 /nfs/dbraw/zinc/45/78/26/1070457826.db2.gz CSOTWMLXKQKHRQ-HOTGVXAUSA-N 0 0 469.560 0.752 20 0 JCADRN 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CCc1c(C(=O)N2CCC[C@H](CNC(=O)C(F)(F)F)C2)cnc2c1c(=O)n(C)c(=O)n2C ZINC001129372114 1070008913 /nfs/dbraw/zinc/00/89/13/1070008913.db2.gz BWKCDAOKBFDMHH-LLVKDONJSA-N 0 0 455.437 0.725 20 0 JCADRN CCc1c(C(=O)N2CCC[C@@H](CNC(=O)C(F)(F)F)C2)cnc2c1c(=O)n(C)c(=O)n2C ZINC001129372115 1070008818 /nfs/dbraw/zinc/00/88/18/1070008818.db2.gz BWKCDAOKBFDMHH-NSHDSACASA-N 0 0 455.437 0.725 20 0 JCADRN COc1ccc(S(=O)(=O)N2CCC(C(=O)NCCCc3cnn(C)n3)CC2)cc1OC ZINC001129403927 1070108323 /nfs/dbraw/zinc/10/83/23/1070108323.db2.gz UKFHEYGTCLBVBB-UHFFFAOYSA-N 0 0 451.549 0.982 20 0 JCADRN CNC(=O)[C@H](CCSC)NC(=O)CCc1nc2cc(S(=O)(=O)N(C)C)ccc2n1C ZINC001129406153 1070108386 /nfs/dbraw/zinc/10/83/86/1070108386.db2.gz YBGJHMVQXVECNO-AWEZNQCLSA-N 0 0 455.606 0.740 20 0 JCADRN Cc1cc(=O)n2[nH]c(NC(=O)c3cc(S(=O)(=O)N4CCOCC4)ccc3Cl)nc2n1 ZINC001129408911 1070108531 /nfs/dbraw/zinc/10/85/31/1070108531.db2.gz JZZSTZNWWGHVHN-UHFFFAOYSA-N 0 0 452.880 0.653 20 0 JCADRN CCN1C(=O)CO[C@H](C(=O)N2CCOC3(CN(C(=O)OC(C)(C)C)C3)C2)[C@H]1c1ccnn1C ZINC001129413771 1070108478 /nfs/dbraw/zinc/10/84/78/1070108478.db2.gz QLIQGWPFXXXSCP-MSOLQXFVSA-N 0 0 463.535 0.557 20 0 JCADRN CC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)NCCc3nnc(C)s3)ccc2F)CC1 ZINC001129429039 1070108273 /nfs/dbraw/zinc/10/82/73/1070108273.db2.gz IYFDWEXHOVXKDY-UHFFFAOYSA-N 0 0 455.537 0.811 20 0 JCADRN NC(=O)Cn1cc(C(=O)N(CCN2CCOCC2)Cc2sccc2Br)nn1 ZINC001129432645 1070108431 /nfs/dbraw/zinc/10/84/31/1070108431.db2.gz PHKKRTAPTSQWKU-UHFFFAOYSA-N 0 0 457.354 0.562 20 0 JCADRN CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N[C@@H]2CCC[C@@H]3CN(C(C)=O)C[C@H]32)c1 ZINC001129437257 1070108260 /nfs/dbraw/zinc/10/82/60/1070108260.db2.gz AMPFVNDDOCASOC-BHIYHBOVSA-N 0 0 452.577 0.642 20 0 JCADRN CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N[C@@H]2CCC[C@@H]3CN(C(C)=O)C[C@@H]32)c1 ZINC001129437258 1070109467 /nfs/dbraw/zinc/10/94/67/1070109467.db2.gz AMPFVNDDOCASOC-NZSAHSFTSA-N 0 0 452.577 0.642 20 0 JCADRN CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N[C@@H]2CCC[C@H]3CN(C(C)=O)C[C@H]32)c1 ZINC001129437259 1070109435 /nfs/dbraw/zinc/10/94/35/1070109435.db2.gz AMPFVNDDOCASOC-QXAKKESOSA-N 0 0 452.577 0.642 20 0 JCADRN CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N[C@@H]2CCC[C@H]3CN(C(C)=O)C[C@@H]32)c1 ZINC001129437260 1070109401 /nfs/dbraw/zinc/10/94/01/1070109401.db2.gz AMPFVNDDOCASOC-YTQUADARSA-N 0 0 452.577 0.642 20 0 JCADRN COC(=O)C[C@H]1COCCN1C(=O)Cc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 ZINC001129438280 1070109489 /nfs/dbraw/zinc/10/94/89/1070109489.db2.gz CZGJEPGPIMIZBN-INIZCTEOSA-N 0 0 456.517 0.049 20 0 JCADRN COC(=O)C[C@@H]1COCCN1C(=O)Cc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 ZINC001129438281 1070109335 /nfs/dbraw/zinc/10/93/35/1070109335.db2.gz CZGJEPGPIMIZBN-MRXNPFEDSA-N 0 0 456.517 0.049 20 0 JCADRN COCC[C@@H](COC)NC(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCOCC3)cc21 ZINC001129442889 1070109359 /nfs/dbraw/zinc/10/93/59/1070109359.db2.gz CSEXWZSUQFPKNN-AWEZNQCLSA-N 0 0 453.517 0.743 20 0 JCADRN COCC[C@H](COC)NC(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCOCC3)cc21 ZINC001129442989 1070109321 /nfs/dbraw/zinc/10/93/21/1070109321.db2.gz CSEXWZSUQFPKNN-CQSZACIVSA-N 0 0 453.517 0.743 20 0 JCADRN O=C([C@@H]1CS(=O)(=O)CC(=O)N1)N1CCC(N2CCN(c3cccc(Cl)c3)CC2)CC1 ZINC001129497616 1070110302 /nfs/dbraw/zinc/11/03/02/1070110302.db2.gz QWAKWKVZHXEFIO-SFHVURJKSA-N 0 0 454.980 0.366 20 0 JCADRN CC(C)(C)OC(=O)N1CCO[C@@](C(=O)OC(C)(C)C)(C(=O)N2CC[C@H]3OCC(=O)N[C@@H]3C2)C1 ZINC001129501551 1070110467 /nfs/dbraw/zinc/11/04/67/1070110467.db2.gz KOAJVXLORKBJEW-DOQJBMMISA-N 0 0 469.535 0.450 20 0 JCADRN CC(C)(C)OC(=O)N1CCO[C@](C(=O)OC(C)(C)C)(C(=O)N2CC[C@H]3OCC(=O)N[C@@H]3C2)C1 ZINC001129501552 1070110162 /nfs/dbraw/zinc/11/01/62/1070110162.db2.gz KOAJVXLORKBJEW-HLFMIMNKSA-N 0 0 469.535 0.450 20 0 JCADRN Cn1nncc1CNC(=O)CCC(=O)N1CCN(S(=O)(=O)c2ccc(Cl)cc2)CC1 ZINC001129512200 1070110435 /nfs/dbraw/zinc/11/04/35/1070110435.db2.gz LDFIFWUTXRJKRB-UHFFFAOYSA-N 0 0 454.940 0.398 20 0 JCADRN O=C(NC[C@H]1CCCS(=O)(=O)C1)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl ZINC001129518210 1070110190 /nfs/dbraw/zinc/11/01/90/1070110190.db2.gz HSZMOYNZHGXXEW-CYBMUJFWSA-N 0 0 450.966 0.916 20 0 JCADRN O=C(NC[C@@H]1CCCS(=O)(=O)C1)c1cc(S(=O)(=O)N2CCOCC2)ccc1Cl ZINC001129518211 1070110424 /nfs/dbraw/zinc/11/04/24/1070110424.db2.gz HSZMOYNZHGXXEW-ZDUSSCGKSA-N 0 0 450.966 0.916 20 0 JCADRN CN(CC(=O)NC[C@H]1CN(C(=O)OC(C)(C)C)CCO1)C1=NS(=O)(=O)c2ccccc21 ZINC001129527910 1070110411 /nfs/dbraw/zinc/11/04/11/1070110411.db2.gz SPUPVBZRWIKIOY-AWEZNQCLSA-N 0 0 452.533 0.819 20 0 JCADRN CN(CC(=O)NC[C@@H]1CN(C(=O)OC(C)(C)C)CCO1)C1=NS(=O)(=O)c2ccccc21 ZINC001129527912 1070110135 /nfs/dbraw/zinc/11/01/35/1070110135.db2.gz SPUPVBZRWIKIOY-CQSZACIVSA-N 0 0 452.533 0.819 20 0 JCADRN CC(C)(C)OC(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(C(=O)NCc2ccc(CC(N)=O)cc2)C1 ZINC001129537650 1070111070 /nfs/dbraw/zinc/11/10/70/1070111070.db2.gz VFDUVOWJKSDMEI-IIBYNOLFSA-N 0 0 451.545 0.612 20 0 JCADRN CC(=O)N1C[C@@H]2CCC[C@H](NC(=O)C3CCN(S(=O)(=O)c4cn(C)c(C)n4)CC3)[C@H]2C1 ZINC001129548248 1070110501 /nfs/dbraw/zinc/11/05/01/1070110501.db2.gz GDLWCJKYOZICAH-FHWLQOOXSA-N 0 0 451.593 0.892 20 0 JCADRN CC(=O)N1C[C@@H]2CCC[C@@H](NC(=O)C3CCN(S(=O)(=O)c4cn(C)c(C)n4)CC3)[C@H]2C1 ZINC001129548249 1070110381 /nfs/dbraw/zinc/11/03/81/1070110381.db2.gz GDLWCJKYOZICAH-GBESFXJTSA-N 0 0 451.593 0.892 20 0 JCADRN CC(=O)N1C[C@@H]2CCC[C@@H](NC(=O)C3CCN(S(=O)(=O)c4cn(C)c(C)n4)CC3)[C@@H]2C1 ZINC001129548250 1070110146 /nfs/dbraw/zinc/11/01/46/1070110146.db2.gz GDLWCJKYOZICAH-IPMKNSEASA-N 0 0 451.593 0.892 20 0 JCADRN CC(=O)N1C[C@@H]2CCC[C@H](NC(=O)C3CCN(S(=O)(=O)c4cn(C)c(C)n4)CC3)[C@@H]2C1 ZINC001129548251 1070110479 /nfs/dbraw/zinc/11/04/79/1070110479.db2.gz GDLWCJKYOZICAH-OTWHNJEPSA-N 0 0 451.593 0.892 20 0 JCADRN CC(=O)N1C[C@@H]2CCC[C@H](NC(=O)Cn3cnc4c(c(Br)nn4C)c3=O)[C@H]2C1 ZINC001129548341 1070110517 /nfs/dbraw/zinc/11/05/17/1070110517.db2.gz JJVBGGFLWGAGPN-AVGNSLFASA-N 0 0 451.325 0.656 20 0 JCADRN CC(=O)N1C[C@@H]2CCC[C@@H](NC(=O)Cn3cnc4c(c(Br)nn4C)c3=O)[C@H]2C1 ZINC001129548342 1070110176 /nfs/dbraw/zinc/11/01/76/1070110176.db2.gz JJVBGGFLWGAGPN-RWMBFGLXSA-N 0 0 451.325 0.656 20 0 JCADRN CC(=O)N1C[C@@H]2CCC[C@H](NC(=O)Cn3cnc4c(c(Br)nn4C)c3=O)[C@@H]2C1 ZINC001129548343 1070110394 /nfs/dbraw/zinc/11/03/94/1070110394.db2.gz JJVBGGFLWGAGPN-XQQFMLRXSA-N 0 0 451.325 0.656 20 0 JCADRN CC(=O)N1C[C@@H]2CCC[C@@H](NC(=O)Cn3cnc4c(c(Br)nn4C)c3=O)[C@@H]2C1 ZINC001129548344 1070110240 /nfs/dbraw/zinc/11/02/40/1070110240.db2.gz JJVBGGFLWGAGPN-YNEHKIRRSA-N 0 0 451.325 0.656 20 0 JCADRN O=C(NCC1(N2CCOCC2)CCOCC1)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC001129555586 1070110259 /nfs/dbraw/zinc/11/02/59/1070110259.db2.gz OADQPDVAUTXNMT-UHFFFAOYSA-N 0 0 453.561 0.319 20 0 JCADRN O=C(NCC1(N2CCOCC2)CCOCC1)c1ccccc1S(=O)(=O)N1CCOCC1 ZINC001129556002 1070111410 /nfs/dbraw/zinc/11/14/10/1070111410.db2.gz RHHDLOACZBWTRP-UHFFFAOYSA-N 0 0 453.561 0.319 20 0 JCADRN Cn1[nH]c(-c2ccccc2Cl)nc1=NC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC001129560677 1070111403 /nfs/dbraw/zinc/11/14/03/1070111403.db2.gz GIRHRRKCEBIRKZ-LLVKDONJSA-N 0 0 450.908 0.661 20 0 JCADRN Cn1[nH]c(-c2ccccc2Cl)nc1=NC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1 ZINC001129560681 1070111356 /nfs/dbraw/zinc/11/13/56/1070111356.db2.gz GIRHRRKCEBIRKZ-NSHDSACASA-N 0 0 450.908 0.661 20 0 JCADRN CCN(CC)S(=O)(=O)c1ccc2[nH]c(=O)cc(C(=O)NCCS(=O)(=O)N(C)C)c2c1 ZINC001129588502 1070111288 /nfs/dbraw/zinc/11/12/88/1070111288.db2.gz XWSLXJGPHIFPCN-UHFFFAOYSA-N 0 0 458.562 0.592 20 0 JCADRN COc1ccc(CC(=O)N[C@@H]2C[C@@H]3CCCCN3C2=O)cc1S(=O)(=O)N1CCOCC1 ZINC001129611573 1070111153 /nfs/dbraw/zinc/11/11/53/1070111153.db2.gz ASMBDKDGWRLTDJ-DLBZAZTESA-N 0 0 451.545 0.528 20 0 JCADRN COc1ccc(CC(=O)N[C@@H]2C[C@H]3CCCCN3C2=O)cc1S(=O)(=O)N1CCOCC1 ZINC001129611575 1070111228 /nfs/dbraw/zinc/11/12/28/1070111228.db2.gz ASMBDKDGWRLTDJ-IAGOWNOFSA-N 0 0 451.545 0.528 20 0 JCADRN COc1ccc(CC(=O)N[C@H]2C[C@@H]3CCCCN3C2=O)cc1S(=O)(=O)N1CCOCC1 ZINC001129611576 1070111091 /nfs/dbraw/zinc/11/10/91/1070111091.db2.gz ASMBDKDGWRLTDJ-IRXDYDNUSA-N 0 0 451.545 0.528 20 0 JCADRN COc1ccc(CC(=O)N[C@H]2C[C@H]3CCCCN3C2=O)cc1S(=O)(=O)N1CCOCC1 ZINC001129611577 1070111400 /nfs/dbraw/zinc/11/14/00/1070111400.db2.gz ASMBDKDGWRLTDJ-SJORKVTESA-N 0 0 451.545 0.528 20 0 JCADRN C[C@@]1(c2ccc(Br)cc2)NC(=O)N(CC(=O)N2CC[C@H]3OCC(=O)N[C@@H]3C2)C1=O ZINC001129617095 1070111277 /nfs/dbraw/zinc/11/12/77/1070111277.db2.gz LKPOQJZZXMTQNC-LPMFXHHGSA-N 0 0 465.304 0.332 20 0 JCADRN C[C@]1(c2ccc(Br)cc2)NC(=O)N(CC(=O)N2CC[C@H]3OCC(=O)N[C@@H]3C2)C1=O ZINC001129617096 1070111197 /nfs/dbraw/zinc/11/11/97/1070111197.db2.gz LKPOQJZZXMTQNC-PJIJBLCYSA-N 0 0 465.304 0.332 20 0 JCADRN CC[C@@](COC)(NC(=O)Cc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1)C(=O)OC ZINC001129618135 1070111378 /nfs/dbraw/zinc/11/13/78/1070111378.db2.gz LFFXLLLQLNYSKC-FQEVSTJZSA-N 0 0 458.533 0.343 20 0 JCADRN CC[C@](COC)(NC(=O)Cc1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1)C(=O)OC ZINC001129618136 1070111321 /nfs/dbraw/zinc/11/13/21/1070111321.db2.gz LFFXLLLQLNYSKC-HXUWFJFHSA-N 0 0 458.533 0.343 20 0 JCADRN CC(C)(CNC(=O)c1ccccc1S(=O)(=O)N1CCOCC1)[C@H]1COCC12OCCO2 ZINC001129632102 1070112335 /nfs/dbraw/zinc/11/23/35/1070112335.db2.gz LBFXRGFFRDZPLA-GOSISDBHSA-N 0 0 454.545 0.853 20 0 JCADRN CC(C)(CNC(=O)c1ccccc1S(=O)(=O)N1CCOCC1)[C@@H]1COCC12OCCO2 ZINC001129632103 1070112191 /nfs/dbraw/zinc/11/21/91/1070112191.db2.gz LBFXRGFFRDZPLA-SFHVURJKSA-N 0 0 454.545 0.853 20 0 JCADRN COCCNC(=O)C1(NC(=O)C2CCN(c3ccc4nnc(C(F)(F)F)n4n3)CC2)CC1 ZINC001129645680 1070112025 /nfs/dbraw/zinc/11/20/25/1070112025.db2.gz OGPCZXCHROUDPT-UHFFFAOYSA-N 0 0 455.441 0.771 20 0 JCADRN CN(C)S(=O)(=O)c1ccc(I)c(C(=O)N[C@@H]2CC[C@H](C(N)=O)C2)c1 ZINC001129657768 1070112859 /nfs/dbraw/zinc/11/28/59/1070112859.db2.gz ZDWQRTGGWYDUKG-VHSXEESVSA-N 0 0 465.313 0.925 20 0 JCADRN NC(=O)c1cn(CCCCNC(=O)CCNC(=O)c2cc(F)ccc2Br)nn1 ZINC001129666313 1070112131 /nfs/dbraw/zinc/11/21/31/1070112131.db2.gz IDFMRDFMFMAQKX-UHFFFAOYSA-N 0 0 455.288 0.995 20 0 JCADRN COCCN(CC(=O)N1CCS(=O)(=O)C[C@H]1C(=O)OC(C)(C)C)C(=O)OC(C)(C)C ZINC001129667444 1070112296 /nfs/dbraw/zinc/11/22/96/1070112296.db2.gz BMSVIVJLFIJZKG-AWEZNQCLSA-N 0 0 450.554 0.837 20 0 JCADRN COCCN(CC(=O)N1CCS(=O)(=O)C[C@@H]1C(=O)OC(C)(C)C)C(=O)OC(C)(C)C ZINC001129667453 1070111896 /nfs/dbraw/zinc/11/18/96/1070111896.db2.gz BMSVIVJLFIJZKG-CQSZACIVSA-N 0 0 450.554 0.837 20 0 JCADRN CNC(=O)COc1ccc(C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)OC(C)(C)C)cc1OC ZINC001129669419 1070112281 /nfs/dbraw/zinc/11/22/81/1070112281.db2.gz NVEAFWNNRQIMCE-AWEZNQCLSA-N 0 0 456.517 0.401 20 0 JCADRN CNC(=O)COc1ccc(C(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)OC(C)(C)C)cc1OC ZINC001129669430 1070112219 /nfs/dbraw/zinc/11/22/19/1070112219.db2.gz NVEAFWNNRQIMCE-CQSZACIVSA-N 0 0 456.517 0.401 20 0 JCADRN O=C(NCC1(N2CCOCC2)CCOCC1)c1sccc1S(=O)(=O)N1CCOCC1 ZINC001129669978 1070111928 /nfs/dbraw/zinc/11/19/28/1070111928.db2.gz PWXGAERVQQCONT-UHFFFAOYSA-N 0 0 459.590 0.380 20 0 JCADRN CC(C)c1nn([C@H]2CCS(=O)(=O)C2)cc1C(=O)NCC1(N2CCOCC2)CCOCC1 ZINC001129670081 1070112259 /nfs/dbraw/zinc/11/22/59/1070112259.db2.gz SPKCYJWUGFVKNF-KRWDZBQOSA-N 0 0 454.593 0.977 20 0 JCADRN CC(C)c1nn([C@@H]2CCS(=O)(=O)C2)cc1C(=O)NCC1(N2CCOCC2)CCOCC1 ZINC001129670082 1070112235 /nfs/dbraw/zinc/11/22/35/1070112235.db2.gz SPKCYJWUGFVKNF-QGZVFWFLSA-N 0 0 454.593 0.977 20 0 JCADRN O=C(Nc1nc2c(s1)CS(=O)(=O)CC2)c1ccccc1S(=O)(=O)N1CCOCC1 ZINC001129678551 1070113783 /nfs/dbraw/zinc/11/37/83/1070113783.db2.gz BKMMUNCUBGZZGO-UHFFFAOYSA-N 0 0 457.555 0.887 20 0 JCADRN O=C(Nc1nc2c(s1)CS(=O)(=O)CC2)c1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC001129679538 1070113106 /nfs/dbraw/zinc/11/31/06/1070113106.db2.gz NSIFGBGQHAKYQU-UHFFFAOYSA-N 0 0 457.555 0.887 20 0 JCADRN Cn1cnc2c1c(=O)n(CC(=O)N[C@@H]1CN(CC(F)(F)F)C[C@H]1c1ccccc1)c(=O)n2C ZINC001129682428 1070112918 /nfs/dbraw/zinc/11/29/18/1070112918.db2.gz JUEAVGVQDQBDMB-LSDHHAIUSA-N 0 0 464.448 0.580 20 0 JCADRN O=C(CCS(=O)(=O)c1ccc2c(c1)OCCO2)N1CCC(N2CCCS2(=O)=O)CC1 ZINC001129690636 1070113115 /nfs/dbraw/zinc/11/31/15/1070113115.db2.gz WGZUQFVUBHOXFC-UHFFFAOYSA-N 0 0 458.558 0.648 20 0 JCADRN COCC(COC)N1CCN(C(=O)c2ccc(OC)c(S(=O)(=O)N3CCCC3)c2)CC1 ZINC001129696715 1070113083 /nfs/dbraw/zinc/11/30/83/1070113083.db2.gz BSOXPQPUHZFEHC-UHFFFAOYSA-N 0 0 455.577 0.899 20 0 JCADRN Cn1nc(Br)c2c1ncn(CC(=O)N1CC[C@@](C(N)=O)(c3ccccc3)C1)c2=O ZINC001129736808 1070114367 /nfs/dbraw/zinc/11/43/67/1070114367.db2.gz YDYQNMGFPHSHGX-IBGZPJMESA-N 0 0 459.304 0.548 20 0 JCADRN Cn1nc(Br)c2c1ncn(CC(=O)N1CC[C@](C(N)=O)(c3ccccc3)C1)c2=O ZINC001129736809 1070114685 /nfs/dbraw/zinc/11/46/85/1070114685.db2.gz YDYQNMGFPHSHGX-LJQANCHMSA-N 0 0 459.304 0.548 20 0 JCADRN CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)NCc2ccccc2S(C)(=O)=O)cc1 ZINC001129754636 1070114727 /nfs/dbraw/zinc/11/47/27/1070114727.db2.gz DOTABRYBRWRKAC-UHFFFAOYSA-N 0 0 453.542 0.985 20 0 JCADRN Cn1nc(Br)c2c1ncn(CC(=O)NCc1ccccc1S(C)(=O)=O)c2=O ZINC001129756009 1070114586 /nfs/dbraw/zinc/11/45/86/1070114586.db2.gz ZMXMNXOELXBTEP-UHFFFAOYSA-N 0 0 454.306 0.612 20 0 JCADRN CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N[C@H]2CCO[C@@H](c3nccn3C)C2)c1 ZINC001129761445 1070114651 /nfs/dbraw/zinc/11/46/51/1070114651.db2.gz NHKFFSAAZVJGHI-DOTOQJQBSA-N 0 0 451.549 0.649 20 0 JCADRN CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N[C@@H]2CCO[C@@H](c3nccn3C)C2)c1 ZINC001129761446 1070114672 /nfs/dbraw/zinc/11/46/72/1070114672.db2.gz NHKFFSAAZVJGHI-NVXWUHKLSA-N 0 0 451.549 0.649 20 0 JCADRN CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N[C@H]2CCO[C@H](c3nccn3C)C2)c1 ZINC001129761447 1070114491 /nfs/dbraw/zinc/11/44/91/1070114491.db2.gz NHKFFSAAZVJGHI-RDJZCZTQSA-N 0 0 451.549 0.649 20 0 JCADRN CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N[C@@H]2CCO[C@H](c3nccn3C)C2)c1 ZINC001129761448 1070114717 /nfs/dbraw/zinc/11/47/17/1070114717.db2.gz NHKFFSAAZVJGHI-WBVHZDCISA-N 0 0 451.549 0.649 20 0 JCADRN COc1ccc(C(=O)N2CCS(=O)(=O)C[C@H]2C(=O)OC(C)(C)C)cc1N1CCNC1=O ZINC001129787530 1070116150 /nfs/dbraw/zinc/11/61/50/1070116150.db2.gz PGILQUMTEWMVRQ-HNNXBMFYSA-N 0 0 453.517 0.806 20 0 JCADRN COc1ccc(C(=O)N2CCS(=O)(=O)C[C@@H]2C(=O)OC(C)(C)C)cc1N1CCNC1=O ZINC001129787531 1070116224 /nfs/dbraw/zinc/11/62/24/1070116224.db2.gz PGILQUMTEWMVRQ-OAHLLOKOSA-N 0 0 453.517 0.806 20 0 JCADRN CC(C)(C)OC(=O)[C@@H]1CS(=O)(=O)CCN1C(=O)C1=NN(c2ccccc2)[C@@H](C(N)=O)C1 ZINC001129789338 1070115607 /nfs/dbraw/zinc/11/56/07/1070115607.db2.gz ZTMREYNNIYTAGR-CVEARBPZSA-N 0 0 450.517 0.074 20 0 JCADRN CC(C)(C)OC(=O)[C@@H]1CS(=O)(=O)CCN1C(=O)C1=NN(c2ccccc2)[C@H](C(N)=O)C1 ZINC001129789407 1070115628 /nfs/dbraw/zinc/11/56/28/1070115628.db2.gz ZTMREYNNIYTAGR-HOTGVXAUSA-N 0 0 450.517 0.074 20 0 JCADRN CC(C)(C)OC(=O)[C@H]1CS(=O)(=O)CCN1C(=O)C1=NN(c2ccccc2)[C@@H](C(N)=O)C1 ZINC001129789412 1070115530 /nfs/dbraw/zinc/11/55/30/1070115530.db2.gz ZTMREYNNIYTAGR-HZPDHXFCSA-N 0 0 450.517 0.074 20 0 JCADRN CC(C)(C)OC(=O)[C@H]1CS(=O)(=O)CCN1C(=O)C1=NN(c2ccccc2)[C@H](C(N)=O)C1 ZINC001129789417 1070115544 /nfs/dbraw/zinc/11/55/44/1070115544.db2.gz ZTMREYNNIYTAGR-JKSUJKDBSA-N 0 0 450.517 0.074 20 0 JCADRN O=C(Nc1nc2c(s1)CS(=O)(=O)CC2)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC001129801180 1070115480 /nfs/dbraw/zinc/11/54/80/1070115480.db2.gz HXKRUUXUNVOQHA-UHFFFAOYSA-N 0 0 457.555 0.887 20 0 JCADRN CC(C)(C)OC(=O)NCCCn1cc(C(=O)N2CCC(N3CCCS3(=O)=O)CC2)nn1 ZINC001129816001 1070117109 /nfs/dbraw/zinc/11/71/09/1070117109.db2.gz LCBKXYQTVJXFEC-UHFFFAOYSA-N 0 0 456.569 0.833 20 0 JCADRN COCC(COC)N1CCN(C(=O)CCCN(C)C2=NS(=O)(=O)c3ccccc32)CC1 ZINC001129823108 1070116924 /nfs/dbraw/zinc/11/69/24/1070116924.db2.gz SXWOMTWQWPIBFI-UHFFFAOYSA-N 0 0 452.577 0.653 20 0 JCADRN CN1CCC(CNC(=O)c2cccnc2S(=O)(=O)C(F)(F)F)(N2CCOCC2)CC1 ZINC001129848083 1070117958 /nfs/dbraw/zinc/11/79/58/1070117958.db2.gz OYNRFFNXLJGCRM-UHFFFAOYSA-N 0 0 450.483 0.902 20 0 JCADRN O=C(C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1)N(CCN1CCOCC1)Cc1ccco1 ZINC001129863249 1070117874 /nfs/dbraw/zinc/11/78/74/1070117874.db2.gz OUPMYDYXNUXQGN-INIZCTEOSA-N 0 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Cc1nnc(SCC(=O)N2CCS(=O)(=NS(C)(=O)=O)CC2)n1Cc1ccccc1 ZINC001141411086 1071334856 /nfs/dbraw/zinc/33/48/56/1071334856.db2.gz NRGNJZCFEJZOQD-UHFFFAOYSA-N 0 0 457.603 0.997 20 0 JCADRN CC(C)(C)OC(=O)N1CCSC[C@H]1CC(=O)N1CCS(=O)(=NS(C)(=O)=O)CC1 ZINC001141411271 1071334597 /nfs/dbraw/zinc/33/45/97/1071334597.db2.gz QWRKTOQMZKTRJO-CYBMUJFWSA-N 0 0 455.624 0.999 20 0 JCADRN CC(C)(C)OC(=O)N1CCSC[C@@H]1CC(=O)N1CCS(=O)(=NS(C)(=O)=O)CC1 ZINC001141411272 1071334809 /nfs/dbraw/zinc/33/48/09/1071334809.db2.gz QWRKTOQMZKTRJO-ZDUSSCGKSA-N 0 0 455.624 0.999 20 0 JCADRN CC(C)(C)OC(=O)N1C[C@@H]2CCO[C@]2(C(=O)N2CCS(=O)(=NS(C)(=O)=O)CC2)C1 ZINC001141411305 1071334545 /nfs/dbraw/zinc/33/45/45/1071334545.db2.gz SCNKBMIJBYYBIC-SUMWQHHRSA-N 0 0 451.567 0.282 20 0 JCADRN COc1cc(OC)cc(N2C[C@H](C(=O)N3CCS(=O)(=NS(C)(=O)=O)CC3)CC2=O)c1 ZINC001141411377 1071335041 /nfs/dbraw/zinc/33/50/41/1071335041.db2.gz VNEPVRUJILJLAN-CYBMUJFWSA-N 0 0 459.546 0.327 20 0 JCADRN COc1cc(OC)cc(N2C[C@@H](C(=O)N3CCS(=O)(=NS(C)(=O)=O)CC3)CC2=O)c1 ZINC001141411378 1071335151 /nfs/dbraw/zinc/33/51/51/1071335151.db2.gz VNEPVRUJILJLAN-ZDUSSCGKSA-N 0 0 459.546 0.327 20 0 JCADRN CS(=O)(=O)N=S1(=O)CCN(C(=O)c2ccc(I)cc2N)CC1 ZINC001141411381 1071335359 /nfs/dbraw/zinc/33/53/59/1071335359.db2.gz VPMONXGPHBGLQZ-UHFFFAOYSA-N 0 0 457.315 0.757 20 0 JCADRN CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)N2CC(CN3CCOCC3)C2)c1 ZINC001141411421 1071335236 /nfs/dbraw/zinc/33/52/36/1071335236.db2.gz WTXBDJDANCIVAO-UHFFFAOYSA-N 0 0 452.577 0.238 20 0 JCADRN CC(C)(C)OC(=O)N1CCC(O)(CC(=O)N2CCS(=O)(=NS(C)(=O)=O)CC2)CC1 ZINC001141411460 1071335343 /nfs/dbraw/zinc/33/53/43/1071335343.db2.gz YREPWYMFKNMAHT-UHFFFAOYSA-N 0 0 453.583 0.408 20 0 JCADRN CS(=O)(=O)N=S1(=O)CCN(C(=O)c2cc(Br)cn(C3CC3)c2=O)CC1 ZINC001141411465 1071335054 /nfs/dbraw/zinc/33/50/54/1071335054.db2.gz YTXGLTRZYXGCEN-UHFFFAOYSA-N 0 0 452.352 0.829 20 0 JCADRN CS(=O)(=O)NC1CCN(C(=O)c2sccc2S(=O)(=O)N2CCC(O)CC2)CC1 ZINC001141411643 1071335202 /nfs/dbraw/zinc/33/52/02/1071335202.db2.gz GPNFETOQCOHLFN-UHFFFAOYSA-N 0 0 451.592 0.047 20 0 JCADRN COC(=O)[C@H](Cc1ccncc1)NC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 ZINC001141412831 1071335266 /nfs/dbraw/zinc/33/52/66/1071335266.db2.gz WUFWZMHDDSEDOI-KRWDZBQOSA-N 0 0 451.476 0.756 20 0 JCADRN COC(=O)[C@@H](Cc1ccncc1)NC(=O)c1ccc(F)c(S(=O)(=O)N2CCOCC2)c1 ZINC001141412832 1071335136 /nfs/dbraw/zinc/33/51/36/1071335136.db2.gz WUFWZMHDDSEDOI-QGZVFWFLSA-N 0 0 451.476 0.756 20 0 JCADRN CON(C)C(=O)C1CCN(C(=O)CCCNS(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC001141416599 1071335100 /nfs/dbraw/zinc/33/51/00/1071335100.db2.gz NGZZMEPIANFDHH-UHFFFAOYSA-N 0 0 455.533 0.775 20 0 JCADRN CON(C)C(=O)C1CCN(C(=O)[C@@]23CN(C(=O)OC(C)(C)C)C[C@@H]2CS(=O)(=O)C3)CC1 ZINC001141416769 1071335168 /nfs/dbraw/zinc/33/51/68/1071335168.db2.gz VHRGGNGHCYHHEH-FOIQADDNSA-N 0 0 459.565 0.527 20 0 JCADRN O=C(CCC(=O)N1CCN(c2ncccn2)CC1)Nc1cccc(CN2CCNC(=O)C2)c1 ZINC001141418519 1071335656 /nfs/dbraw/zinc/33/56/56/1071335656.db2.gz WMOFOSWQNNCULA-UHFFFAOYSA-N 0 0 451.531 0.476 20 0 JCADRN COc1ccc(OC)c(CN2CCN(C(=O)[C@H]3[C@@H](O)C(=O)N(C)[C@@H]3c3cnn(C)c3)CC2)c1 ZINC001141420886 1071335626 /nfs/dbraw/zinc/33/56/26/1071335626.db2.gz NXRHUGCXQIYMHO-NJDAHSKKSA-N 0 0 457.531 0.272 20 0 JCADRN COc1ccc(OC)c(CN2CCN(C(=O)[C@H](C)NS(=O)(=O)c3cnn(C)c3)CC2)c1 ZINC001141421100 1071335810 /nfs/dbraw/zinc/33/58/10/1071335810.db2.gz XGLZEWKYAJNDDR-HNNXBMFYSA-N 0 0 451.549 0.449 20 0 JCADRN COc1ccc(OC)c(CN2CCN(C(=O)[C@@H](C)NS(=O)(=O)c3cnn(C)c3)CC2)c1 ZINC001141421101 1071335605 /nfs/dbraw/zinc/33/56/05/1071335605.db2.gz XGLZEWKYAJNDDR-OAHLLOKOSA-N 0 0 451.549 0.449 20 0 JCADRN O=C([C@H]1C[C@@H](O)CN1c1ccncn1)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 ZINC001141432494 1071336815 /nfs/dbraw/zinc/33/68/15/1071336815.db2.gz ZMYTZYXDPDZEOK-GDBMZVCRSA-N 0 0 451.936 0.603 20 0 JCADRN O=C([C@H]1C[C@H](O)CN1c1ccncn1)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 ZINC001141432495 1071336828 /nfs/dbraw/zinc/33/68/28/1071336828.db2.gz ZMYTZYXDPDZEOK-GOEBONIOSA-N 0 0 451.936 0.603 20 0 JCADRN O=C([C@@H]1C[C@H](O)CN1c1ccncn1)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 ZINC001141432496 1071337006 /nfs/dbraw/zinc/33/70/06/1071337006.db2.gz ZMYTZYXDPDZEOK-HOCLYGCPSA-N 0 0 451.936 0.603 20 0 JCADRN O=C([C@@H]1C[C@@H](O)CN1c1ccncn1)N1CCN(S(=O)(=O)c2ccccc2Cl)CC1 ZINC001141432497 1071336801 /nfs/dbraw/zinc/33/68/01/1071336801.db2.gz ZMYTZYXDPDZEOK-ZBFHGGJFSA-N 0 0 451.936 0.603 20 0 JCADRN CC(C)n1cnnc1CN(C)C(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c1ccccc1 ZINC001141589674 1071337487 /nfs/dbraw/zinc/33/74/87/1071337487.db2.gz KQTANDCFFWADPB-INIZCTEOSA-N 0 0 457.578 0.599 20 0 JCADRN CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)c1cc(I)ccc1F ZINC001141667258 1071338097 /nfs/dbraw/zinc/33/80/97/1071338097.db2.gz RBMSJUQCPQYPAM-JTQLQIEISA-N 0 0 454.261 0.806 20 0 JCADRN CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)c1cc(I)ccc1F ZINC001141667259 1071338040 /nfs/dbraw/zinc/33/80/40/1071338040.db2.gz RBMSJUQCPQYPAM-SNVBAGLBSA-N 0 0 454.261 0.806 20 0 JCADRN O=S1(=O)Cc2cnc(N3CCOCC3)nc2[C@H]2CN(Cc3ncc(Br)cn3)C[C@H]21 ZINC001141667820 1071338194 /nfs/dbraw/zinc/33/81/94/1071338194.db2.gz MQCKKVPEIXLFBI-LSDHHAIUSA-N 0 0 481.376 0.762 20 0 JCADRN CC(C)(C)OC(=O)N1CCO[C@H](C(=O)N2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)C1 ZINC001141668849 1071338003 /nfs/dbraw/zinc/33/80/03/1071338003.db2.gz CTXRLGCPVHFUQQ-KRWDZBQOSA-N 0 0 454.549 0.619 20 0 JCADRN Cc1oc(C(=O)N2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)cc1S(=O)(=O)N(C)C ZINC001141669067 1071338024 /nfs/dbraw/zinc/33/80/24/1071338024.db2.gz IBWDXGJSQHGHKE-UHFFFAOYSA-N 0 0 456.546 0.448 20 0 JCADRN Cc1c(C(=O)N(C)CC(=O)N[C@H]2CCS(=O)(=O)C2)cc(CNC(=O)OC(C)(C)C)n1C ZINC001141669147 1071338072 /nfs/dbraw/zinc/33/80/72/1071338072.db2.gz JIYBTVKSVGAGED-AWEZNQCLSA-N 0 0 456.565 0.734 20 0 JCADRN Cc1c(C(=O)N(C)CC(=O)N[C@@H]2CCS(=O)(=O)C2)cc(CNC(=O)OC(C)(C)C)n1C ZINC001141669149 1071338189 /nfs/dbraw/zinc/33/81/89/1071338189.db2.gz JIYBTVKSVGAGED-CQSZACIVSA-N 0 0 456.565 0.734 20 0 JCADRN CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)C(C)(C)n1cc(NC(=O)OC(C)(C)C)cn1 ZINC001141669238 1071338056 /nfs/dbraw/zinc/33/80/56/1071338056.db2.gz LCKULFFQPGGTAC-CYBMUJFWSA-N 0 0 457.553 0.727 20 0 JCADRN CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)C(C)(C)n1cc(NC(=O)OC(C)(C)C)cn1 ZINC001141669239 1071338165 /nfs/dbraw/zinc/33/81/65/1071338165.db2.gz LCKULFFQPGGTAC-ZDUSSCGKSA-N 0 0 457.553 0.727 20 0 JCADRN CCO[C@@H]1COCC[C@H]1CC(=O)N1CCN(S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)CC1 ZINC001141669311 1071338169 /nfs/dbraw/zinc/33/81/69/1071338169.db2.gz MNAUBTSPLSKPGD-KBXCAEBGSA-N 0 0 452.533 0.933 20 0 JCADRN CCO[C@H]1COCC[C@@H]1CC(=O)N1CCN(S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)CC1 ZINC001141669313 1071337937 /nfs/dbraw/zinc/33/79/37/1071337937.db2.gz MNAUBTSPLSKPGD-KDOFPFPSSA-N 0 0 452.533 0.933 20 0 JCADRN CCO[C@H]1COCC[C@H]1CC(=O)N1CCN(S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)CC1 ZINC001141669315 1071338135 /nfs/dbraw/zinc/33/81/35/1071338135.db2.gz MNAUBTSPLSKPGD-KSSFIOAISA-N 0 0 452.533 0.933 20 0 JCADRN CCO[C@@H]1COCC[C@@H]1CC(=O)N1CCN(S(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)CC1 ZINC001141669317 1071337984 /nfs/dbraw/zinc/33/79/84/1071337984.db2.gz MNAUBTSPLSKPGD-RDTXWAMCSA-N 0 0 452.533 0.933 20 0 JCADRN Cn1cc(Br)c(C(=O)N2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)cc1=O ZINC001141669514 1071338123 /nfs/dbraw/zinc/33/81/23/1071338123.db2.gz PXRKAWAQBVXHRF-UHFFFAOYSA-N 0 0 455.334 0.758 20 0 JCADRN CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)c1cnn(-c2ccc(Br)cc2)n1 ZINC001141669631 1071338084 /nfs/dbraw/zinc/33/80/84/1071338084.db2.gz ROBNUQNBYRZLFE-GFCCVEGCSA-N 0 0 456.322 0.405 20 0 JCADRN CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)c1cnn(-c2ccc(Br)cc2)n1 ZINC001141669633 1071338150 /nfs/dbraw/zinc/33/81/50/1071338150.db2.gz ROBNUQNBYRZLFE-LBPRGKRZSA-N 0 0 456.322 0.405 20 0 JCADRN NS(=O)(=O)c1ccc(N2CCN(C(=O)c3ccc(C(=O)N4CCOCC4)cc3)CC2)cc1 ZINC001141669985 1071338110 /nfs/dbraw/zinc/33/81/10/1071338110.db2.gz XCXBLCLKYOQPAA-UHFFFAOYSA-N 0 0 458.540 0.769 20 0 JCADRN CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)CCc1c(NC(=O)OC(C)(C)C)cnn1C ZINC001141670017 1071337964 /nfs/dbraw/zinc/33/79/64/1071337964.db2.gz XWHUIADTVJCCTG-CYBMUJFWSA-N 0 0 457.553 0.461 20 0 JCADRN CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)CCc1c(NC(=O)OC(C)(C)C)cnn1C ZINC001141670018 1071338206 /nfs/dbraw/zinc/33/82/06/1071338206.db2.gz XWHUIADTVJCCTG-ZDUSSCGKSA-N 0 0 457.553 0.461 20 0 JCADRN CN1CC[C@@]2(CN(S(C)(=O)=O)CC23CCN(Cc2ncc(Br)cn2)CC3)C1=O ZINC001141670361 1071338182 /nfs/dbraw/zinc/33/81/82/1071338182.db2.gz KPGJEDFUUHCNGR-GOSISDBHSA-N 0 0 472.409 0.945 20 0 JCADRN COc1ccc(C(=O)N2CCC[C@@H](CNS(N)(=O)=O)C2)nc1I ZINC001141717138 1071338702 /nfs/dbraw/zinc/33/87/02/1071338702.db2.gz HQJMWPQRRYCDGM-VIFPVBQESA-N 0 0 454.290 0.340 20 0 JCADRN COc1ccc(-n2c(C)nnc2SCC(=O)N2CCC[C@@H](CNS(N)(=O)=O)C2)cc1 ZINC001141717199 1071338635 /nfs/dbraw/zinc/33/86/35/1071338635.db2.gz JEZCHIUYPMCRMP-AWEZNQCLSA-N 0 0 454.578 0.708 20 0 JCADRN COc1ccc(-n2c(C)nnc2SCC(=O)N2CCC[C@H](CNS(N)(=O)=O)C2)cc1 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CCOC(=O)c1nc2n(n1)CCN([C@@H](C)CCCCn1c(=O)c3c(ncn3C)n(C)c1=O)C2 ZINC001169191039 1069949326 /nfs/dbraw/zinc/94/93/26/1069949326.db2.gz KGHVLRTXIRUGJN-AWEZNQCLSA-N 0 0 458.523 0.277 20 0 JCADRN CCOC(=O)c1nc2n(n1)CCN([C@H](C)CCCCn1c(=O)c3c(ncn3C)n(C)c1=O)C2 ZINC001169191040 1069949215 /nfs/dbraw/zinc/94/92/15/1069949215.db2.gz KGHVLRTXIRUGJN-CQSZACIVSA-N 0 0 458.523 0.277 20 0 JCADRN CCC[C@@H](N(CC[NH3+])[C@H](C)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)S(=O)(=O)[O-] ZINC001169191720 1069949437 /nfs/dbraw/zinc/94/94/37/1069949437.db2.gz OEGDZAYMBSBSOC-CABCVRRESA-N 0 0 458.585 0.267 20 0 JCADRN CCC[C@@H](N(CC[NH3+])[C@@H](C)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)S(=O)(=O)[O-] ZINC001169191721 1069949532 /nfs/dbraw/zinc/94/95/32/1069949532.db2.gz OEGDZAYMBSBSOC-GJZGRUSLSA-N 0 0 458.585 0.267 20 0 JCADRN CCC[C@H](N(CC[NH3+])[C@H](C)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)S(=O)(=O)[O-] ZINC001169191722 1069949514 /nfs/dbraw/zinc/94/95/14/1069949514.db2.gz OEGDZAYMBSBSOC-HUUCEWRRSA-N 0 0 458.585 0.267 20 0 JCADRN CCC[C@H](N(CC[NH3+])[C@@H](C)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)S(=O)(=O)[O-] ZINC001169191723 1069949303 /nfs/dbraw/zinc/94/93/03/1069949303.db2.gz OEGDZAYMBSBSOC-LSDHHAIUSA-N 0 0 458.585 0.267 20 0 JCADRN COC(=O)[C@@H]1C[C@@](O)(C(F)(F)F)CN1[C@@H](C)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC001169193740 1069950148 /nfs/dbraw/zinc/95/01/48/1069950148.db2.gz UYDUKFICOGTKIF-JMERFSKESA-N 0 0 475.468 0.533 20 0 JCADRN COC(=O)[C@@H]1C[C@@](O)(C(F)(F)F)CN1[C@H](C)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC001169193748 1069950209 /nfs/dbraw/zinc/95/02/09/1069950209.db2.gz UYDUKFICOGTKIF-NQCMUKECSA-N 0 0 475.468 0.533 20 0 JCADRN COC(=O)[C@@H]1C[C@](O)(C(F)(F)F)CN1[C@H](C)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC001169193752 1069950317 /nfs/dbraw/zinc/95/03/17/1069950317.db2.gz UYDUKFICOGTKIF-QHRIQVFBSA-N 0 0 475.468 0.533 20 0 JCADRN COC(=O)[C@@H]1C[C@](O)(C(F)(F)F)CN1[C@@H](C)CCCCn1c(=O)c2c(ncn2C)n(C)c1=O ZINC001169193754 1069950243 /nfs/dbraw/zinc/95/02/43/1069950243.db2.gz UYDUKFICOGTKIF-WTOJCKNJSA-N 0 0 475.468 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COC(=O)[C@H]1Cc2cc(NCC(=O)NC[C@@H](O)c3cc(OC)ccc3OC)cnc2NC1=O ZINC001169445494 1069990414 /nfs/dbraw/zinc/99/04/14/1069990414.db2.gz RUEGAGDZVCETCF-DLBZAZTESA-N 0 0 458.471 0.644 20 0 JCADRN COC(=O)[C@@H]1Cc2cc(NCC(=O)NC[C@@H](O)c3cc(OC)ccc3OC)cnc2NC1=O ZINC001169445495 1069990400 /nfs/dbraw/zinc/99/04/00/1069990400.db2.gz RUEGAGDZVCETCF-IAGOWNOFSA-N 0 0 458.471 0.644 20 0 JCADRN COC(=O)[C@H]1Cc2cc(NCC(=O)NC[C@H](O)c3cc(OC)ccc3OC)cnc2NC1=O ZINC001169445496 1069990578 /nfs/dbraw/zinc/99/05/78/1069990578.db2.gz RUEGAGDZVCETCF-IRXDYDNUSA-N 0 0 458.471 0.644 20 0 JCADRN COC(=O)[C@@H]1Cc2cc(NCC(=O)NC[C@H](O)c3cc(OC)ccc3OC)cnc2NC1=O ZINC001169445497 1069990299 /nfs/dbraw/zinc/99/02/99/1069990299.db2.gz RUEGAGDZVCETCF-SJORKVTESA-N 0 0 458.471 0.644 20 0 JCADRN COc1ccc(OC)c([C@@H](O)CNC(=O)CNc2ccc(=O)n(CCS(C)(=O)=O)c2)c1 ZINC001169445530 1069990314 /nfs/dbraw/zinc/99/03/14/1069990314.db2.gz SIUXJGODJLDAML-KRWDZBQOSA-N 0 0 453.517 0.172 20 0 JCADRN COc1ccc(OC)c([C@H](O)CNC(=O)CNc2ccc(=O)n(CCS(C)(=O)=O)c2)c1 ZINC001169445531 1069990385 /nfs/dbraw/zinc/99/03/85/1069990385.db2.gz SIUXJGODJLDAML-QGZVFWFLSA-N 0 0 453.517 0.172 20 0 JCADRN CCN(CC)C(=O)C[C@@H](C)N[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)O[C@H]1OC(C)=O ZINC001169449248 1069990487 /nfs/dbraw/zinc/99/04/87/1069990487.db2.gz QLPMRAXXDNALJF-JAOPDGQLSA-N 0 0 488.534 0.306 20 0 JCADRN CCN(CC)C(=O)C[C@H](C)N[C@@H]1[C@@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](COC(C)=O)O[C@H]1OC(C)=O ZINC001169449249 1069990458 /nfs/dbraw/zinc/99/04/58/1069990458.db2.gz QLPMRAXXDNALJF-MLGNSMITSA-N 0 0 488.534 0.306 20 0 JCADRN CC(C)C[C@H]1C(=O)NCCN1CC(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 ZINC001169452661 1069991190 /nfs/dbraw/zinc/99/11/90/1069991190.db2.gz WNGMLOOURYJLRE-KRWDZBQOSA-N 0 0 458.531 0.644 20 0 JCADRN CC(C)C[C@@H]1C(=O)NCCN1CC(=O)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 ZINC001169452662 1069991458 /nfs/dbraw/zinc/99/14/58/1069991458.db2.gz WNGMLOOURYJLRE-QGZVFWFLSA-N 0 0 458.531 0.644 20 0 JCADRN CCN(CC)C(=O)C[C@@H](C)N1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC001169466436 1069993011 /nfs/dbraw/zinc/99/30/11/1069993011.db2.gz GETQQEUTQCUENF-BPQIPLTHSA-N 0 0 451.593 0.656 20 0 JCADRN CCN(CC)C(=O)C[C@H](C)N1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC001169466437 1069993284 /nfs/dbraw/zinc/99/32/84/1069993284.db2.gz GETQQEUTQCUENF-RYQLBKOJSA-N 0 0 451.593 0.656 20 0 JCADRN COc1ccc(CNc2ccc(I)c(-c3nn[nH]n3)c2S(N)(=O)=O)nn1 ZINC001169467364 1069992846 /nfs/dbraw/zinc/99/28/46/1069992846.db2.gz DQTAFCOFDZYXMP-UHFFFAOYSA-N 0 0 488.271 0.529 20 0 JCADRN COc1cncc(N2CCN(C(=O)[C@H]3CC(=O)N(c4cccc(S(N)(=O)=O)c4)C3)CC2)c1 ZINC001169468321 1069992721 /nfs/dbraw/zinc/99/27/21/1069992721.db2.gz BNWPSRFGUPYBRK-HNNXBMFYSA-N 0 0 459.528 0.439 20 0 JCADRN COc1cncc(N2CCN(C(=O)[C@@H]3CC(=O)N(c4cccc(S(N)(=O)=O)c4)C3)CC2)c1 ZINC001169468322 1069992776 /nfs/dbraw/zinc/99/27/76/1069992776.db2.gz BNWPSRFGUPYBRK-OAHLLOKOSA-N 0 0 459.528 0.439 20 0 JCADRN NC(=O)C1(O)CN(C(=O)c2cccc(S(=O)(=O)Nc3ccc(Br)cc3)c2)C1 ZINC001169478126 1069991935 /nfs/dbraw/zinc/99/19/35/1069991935.db2.gz BJCMSUQZRIEPPN-UHFFFAOYSA-N 0 0 454.302 0.922 20 0 JCADRN COc1ccc(N(C)S(=O)(=O)c2ccc(Cl)c(C(=O)N3CC(O)(C(N)=O)C3)c2)cc1 ZINC001169478716 1069992305 /nfs/dbraw/zinc/99/23/05/1069992305.db2.gz KLNGLQZVMHXPLN-UHFFFAOYSA-N 0 0 453.904 0.846 20 0 JCADRN COCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC(O)(C(N)=O)C1 ZINC001169486922 1069994086 /nfs/dbraw/zinc/99/40/86/1069994086.db2.gz FZFDGQDLOXUTOG-FQEVSTJZSA-N 0 0 453.495 0.989 20 0 JCADRN COCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC(O)(C(N)=O)C1 ZINC001169486923 1069993720 /nfs/dbraw/zinc/99/37/20/1069993720.db2.gz FZFDGQDLOXUTOG-HXUWFJFHSA-N 0 0 453.495 0.989 20 0 JCADRN NC(=O)C1(O)CN(C(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc(Br)s2)C1 ZINC001169487178 1069994072 /nfs/dbraw/zinc/99/40/72/1069994072.db2.gz MDLHBRQPYYKFIW-SECBINFHSA-N 0 0 452.352 0.112 20 0 JCADRN NC(=O)C1(O)CN(C(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccc(Br)s2)C1 ZINC001169487179 1069994055 /nfs/dbraw/zinc/99/40/55/1069994055.db2.gz MDLHBRQPYYKFIW-VIFPVBQESA-N 0 0 452.352 0.112 20 0 JCADRN CO[C@H](C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)N1CC(O)(C(N)=O)C1 ZINC001169487403 1069993747 /nfs/dbraw/zinc/99/37/47/1069993747.db2.gz QULXGKLXNUFWKO-VLIAUNLRSA-N 0 0 453.495 0.987 20 0 JCADRN CCN(C(=O)CN1CCO[C@H](C(=O)C2CC2)C1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC001169508050 1069993703 /nfs/dbraw/zinc/99/37/03/1069993703.db2.gz UPRCHUFKUHEKEY-KRWDZBQOSA-N 0 0 455.515 0.612 20 0 JCADRN CCN(C(=O)CN1CCO[C@@H](C(=O)C2CC2)C1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC001169508051 1069994160 /nfs/dbraw/zinc/99/41/60/1069994160.db2.gz UPRCHUFKUHEKEY-QGZVFWFLSA-N 0 0 455.515 0.612 20 0 JCADRN CC(=O)OC[C@H]1O[C@@H](n2cc(N[C@H](C)c3cnccn3)c(=O)[nH]c2=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O ZINC001169531590 1069995018 /nfs/dbraw/zinc/99/50/18/1069995018.db2.gz BGGGBQWMDVREPA-UANWBDRPSA-N 0 0 491.457 0.236 20 0 JCADRN CC(=O)OC[C@H]1O[C@@H](n2cc(N[C@@H](C)c3cnccn3)c(=O)[nH]c2=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O ZINC001169531592 1069994626 /nfs/dbraw/zinc/99/46/26/1069994626.db2.gz BGGGBQWMDVREPA-WSWPEDCZSA-N 0 0 491.457 0.236 20 0 JCADRN CCCCC(=O)[C@H](C)Nc1cn([C@@H]2O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H]2OC(C)=O)c(=O)[nH]c1=O ZINC001169553368 1069995162 /nfs/dbraw/zinc/99/51/62/1069995162.db2.gz OZKMMJFGHASLTM-NBZYCEHCSA-N 0 0 497.501 0.833 20 0 JCADRN COC(=O)c1n[nH]cc1Nc1ccc(I)c(-c2nn[nH]n2)c1S(N)(=O)=O ZINC001169572845 1069995994 /nfs/dbraw/zinc/99/59/94/1069995994.db2.gz ANNWRNIVVYKLKY-UHFFFAOYSA-N 0 0 490.243 0.372 20 0 JCADRN Cc1ccc(NC(=O)[C@@H](C)N2CCO[C@]3(CCOC3)C2)cc1S(=O)(=O)N1CCOCC1 ZINC001169582039 1069997294 /nfs/dbraw/zinc/99/72/94/1069997294.db2.gz OKKVQJWBZMDEGT-DYESRHJHSA-N 0 0 453.561 0.834 20 0 JCADRN Cc1ccc(NC(=O)[C@H](C)N2CCO[C@]3(CCOC3)C2)cc1S(=O)(=O)N1CCOCC1 ZINC001169582040 1069997235 /nfs/dbraw/zinc/99/72/35/1069997235.db2.gz OKKVQJWBZMDEGT-LAUBAEHRSA-N 0 0 453.561 0.834 20 0 JCADRN Cc1ccc(NC(=O)[C@@H](C)N2CCO[C@@]3(CCOC3)C2)cc1S(=O)(=O)N1CCOCC1 ZINC001169582041 1069997275 /nfs/dbraw/zinc/99/72/75/1069997275.db2.gz OKKVQJWBZMDEGT-UTKZUKDTSA-N 0 0 453.561 0.834 20 0 JCADRN Cc1ccc(NC(=O)[C@H](C)N2CCO[C@@]3(CCOC3)C2)cc1S(=O)(=O)N1CCOCC1 ZINC001169582042 1069996691 /nfs/dbraw/zinc/99/66/91/1069996691.db2.gz OKKVQJWBZMDEGT-UWJYYQICSA-N 0 0 453.561 0.834 20 0 JCADRN O=C(CN1CCOC2(CCOCC2)CC1)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC001169594421 1069995777 /nfs/dbraw/zinc/99/57/77/1069995777.db2.gz USIDMBRHSRZTDJ-UHFFFAOYSA-N 0 0 453.561 0.918 20 0 JCADRN COCCCN(C(=O)CN1CC[C@H](O)[C@H](C)C1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC001169614334 1069997106 /nfs/dbraw/zinc/99/71/06/1069997106.db2.gz WTDHZSRJLUNOKS-AEFFLSMTSA-N 0 0 459.547 0.652 20 0 JCADRN COCCCN(C(=O)CN1CC[C@@H](O)[C@@H](C)C1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC001169614335 1069996858 /nfs/dbraw/zinc/99/68/58/1069996858.db2.gz WTDHZSRJLUNOKS-FUHWJXTLSA-N 0 0 459.547 0.652 20 0 JCADRN COCCCN(C(=O)CN1CC[C@@H](O)[C@H](C)C1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC001169614336 1069996786 /nfs/dbraw/zinc/99/67/86/1069996786.db2.gz WTDHZSRJLUNOKS-SJLPKXTDSA-N 0 0 459.547 0.652 20 0 JCADRN COCCCN(C(=O)CN1CC[C@H](O)[C@@H](C)C1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC001169614337 1069997154 /nfs/dbraw/zinc/99/71/54/1069997154.db2.gz WTDHZSRJLUNOKS-WMZOPIPTSA-N 0 0 459.547 0.652 20 0 JCADRN CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)CN3CCC(O)(C(F)F)CC3)CC2)cc1 ZINC001169614408 1069996886 /nfs/dbraw/zinc/99/68/86/1069996886.db2.gz ZBCJVUQCQNWKBP-UHFFFAOYSA-N 0 0 459.515 0.814 20 0 JCADRN CC(=O)N1CCC[C@H](N2C[C@@H](N3CCN(c4ncccn4)CC3)C[C@H]2C(=O)N2CCC(F)(F)C2)C1 ZINC001169630254 1069996969 /nfs/dbraw/zinc/99/69/69/1069996969.db2.gz NQIWOKFUSHLHQG-ACRUOGEOSA-N 0 0 491.587 0.920 20 0 JCADRN CC(=O)N1CCC[C@@H](N2C[C@@H](N3CCN(c4ncccn4)CC3)C[C@H]2C(=O)N2CCC(F)(F)C2)C1 ZINC001169630265 1069996563 /nfs/dbraw/zinc/99/65/63/1069996563.db2.gz NQIWOKFUSHLHQG-HKBOAZHASA-N 0 0 491.587 0.920 20 0 JCADRN COC(=O)C1(NCC(=O)NCc2ccc(C(=O)N3CCCC3)cc2)CCS(=O)(=O)CC1 ZINC001169643056 1069998911 /nfs/dbraw/zinc/99/89/11/1069998911.db2.gz AZUZMPRJBBGMTP-UHFFFAOYSA-N 0 0 451.545 0.249 20 0 JCADRN COC(=O)C1(NCC(=O)N2CCC(C(=O)N3CCCCCC3)CC2)CCS(=O)(=O)CC1 ZINC001169644122 1069998778 /nfs/dbraw/zinc/99/87/78/1069998778.db2.gz KVPHYHLVZLNIRI-UHFFFAOYSA-N 0 0 457.593 0.338 20 0 JCADRN Cc1nccnc1N1CCN(CC(=O)N2CCN(S(=O)(=O)Cc3ccccc3)CC2)CC1 ZINC001169655906 1069996833 /nfs/dbraw/zinc/99/68/33/1069996833.db2.gz LGEMMCKTCJAGLZ-UHFFFAOYSA-N 0 0 458.588 0.581 20 0 JCADRN Cc1nccnc1N1CCN(CC(=O)NN2C(=O)N[C@](C)(CCc3ccccc3)C2=O)CC1 ZINC001169656357 1069997249 /nfs/dbraw/zinc/99/72/49/1069997249.db2.gz OMIMWOUYQZZSIL-HSZRJFAPSA-N 0 0 451.531 0.882 20 0 JCADRN Cc1nccnc1N1CCN(CC(=O)NN2C(=O)N[C@@](C)(CCc3ccccc3)C2=O)CC1 ZINC001169656359 1069998200 /nfs/dbraw/zinc/99/82/00/1069998200.db2.gz OMIMWOUYQZZSIL-QHCPKHFHSA-N 0 0 451.531 0.882 20 0 JCADRN NS(=O)(=O)c1c(N[C@H]2CCCOC2)ccc(I)c1-c1nn[nH]n1 ZINC001169662494 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OCNSUFYHKKCFEI-IQMFZBJNSA-N 0 0 466.498 0.842 20 0 JCADRN O=C(NCc1ccncc1)C1=NO[C@@]2(C1)CCCN(C(=O)[C@H]1CCc3[nH]c(=O)[nH]c(=O)c3C1)C2 ZINC001176635977 1068356516 /nfs/dbraw/zinc/35/65/16/1068356516.db2.gz OCNSUFYHKKCFEI-NPMXOYFQSA-N 0 0 466.498 0.842 20 0 JCADRN O=C(NCc1ccncc1)C1=NO[C@]2(C1)CCCN(C(=O)[C@H]1CCc3[nH]c(=O)[nH]c(=O)c3C1)C2 ZINC001176635978 1068357313 /nfs/dbraw/zinc/35/73/13/1068357313.db2.gz OCNSUFYHKKCFEI-WNSKOXEYSA-N 0 0 466.498 0.842 20 0 JCADRN Cn1cccc1C(=O)NCc1cn2c(n1)CN(C(=O)[C@@H]1CCc3[nH]c(=O)[nH]c(=O)c3C1)CC2 ZINC001176636311 1068357446 /nfs/dbraw/zinc/35/74/46/1068357446.db2.gz QSTCPQMQYUHFPJ-CYBMUJFWSA-N 0 0 451.487 0.500 20 0 JCADRN Cn1cccc1C(=O)NCc1cn2c(n1)CN(C(=O)[C@H]1CCc3[nH]c(=O)[nH]c(=O)c3C1)CC2 ZINC001176636312 1068357303 /nfs/dbraw/zinc/35/73/03/1068357303.db2.gz QSTCPQMQYUHFPJ-ZDUSSCGKSA-N 0 0 451.487 0.500 20 0 JCADRN O=C([C@@H]1CCc2[nH]c(=O)[nH]c(=O)c2C1)n1c([C@@H]2COCCN2)nccc1=NCc1ccco1 ZINC001176636345 1068357462 /nfs/dbraw/zinc/35/74/62/1068357462.db2.gz RHYHJVFOGQLYPV-DDGGTBDTSA-N 0 0 452.471 0.884 20 0 JCADRN O=C([C@H]1CCc2[nH]c(=O)[nH]c(=O)c2C1)n1c([C@@H]2COCCN2)nccc1=NCc1ccco1 ZINC001176636346 1068357373 /nfs/dbraw/zinc/35/73/73/1068357373.db2.gz RHYHJVFOGQLYPV-GJOVQHRFSA-N 0 0 452.471 0.884 20 0 JCADRN O=C([C@H]1CCc2[nH]c(=O)[nH]c(=O)c2C1)n1c([C@H]2COCCN2)nccc1=NCc1ccco1 ZINC001176636347 1068357222 /nfs/dbraw/zinc/35/72/22/1068357222.db2.gz RHYHJVFOGQLYPV-KYBGMBKNSA-N 0 0 452.471 0.884 20 0 JCADRN O=C([C@@H]1CCc2[nH]c(=O)[nH]c(=O)c2C1)n1c([C@H]2COCCN2)nccc1=NCc1ccco1 ZINC001176636348 1068357417 /nfs/dbraw/zinc/35/74/17/1068357417.db2.gz RHYHJVFOGQLYPV-SDOXFHFSSA-N 0 0 452.471 0.884 20 0 JCADRN O=C(NC[C@H]1Cn2ccnc2CN(C(=O)[C@H]2CCc3[nH]c(=O)[nH]c(=O)c3C2)C1)c1ccnnc1 ZINC001176636349 1068357401 /nfs/dbraw/zinc/35/74/01/1068357401.db2.gz RJHXTZLYMQFGAM-KBPBESRZSA-N 0 0 464.486 0.068 20 0 JCADRN O=C(NC[C@@H]1Cn2ccnc2CN(C(=O)[C@H]2CCc3[nH]c(=O)[nH]c(=O)c3C2)C1)c1ccnnc1 ZINC001176636350 1068357289 /nfs/dbraw/zinc/35/72/89/1068357289.db2.gz RJHXTZLYMQFGAM-KGLIPLIRSA-N 0 0 464.486 0.068 20 0 JCADRN O=C(NC[C@H]1Cn2ccnc2CN(C(=O)[C@@H]2CCc3[nH]c(=O)[nH]c(=O)c3C2)C1)c1ccnnc1 ZINC001176636351 1068357432 /nfs/dbraw/zinc/35/74/32/1068357432.db2.gz RJHXTZLYMQFGAM-UONOGXRCSA-N 0 0 464.486 0.068 20 0 JCADRN O=C(NC[C@@H]1Cn2ccnc2CN(C(=O)[C@@H]2CCc3[nH]c(=O)[nH]c(=O)c3C2)C1)c1ccnnc1 ZINC001176636352 1068357172 /nfs/dbraw/zinc/35/71/72/1068357172.db2.gz RJHXTZLYMQFGAM-ZIAGYGMSSA-N 0 0 464.486 0.068 20 0 JCADRN O=C(NCc1cc(=O)n2c(n1)CN(C(=O)[C@@H]1CCc3[nH]c(=O)[nH]c(=O)c3C1)CCC2)c1ccco1 ZINC001176636741 1068357209 /nfs/dbraw/zinc/35/72/09/1068357209.db2.gz VLVBWFQOUHVRSX-CYBMUJFWSA-N 0 0 480.481 0.505 20 0 JCADRN O=C(NCc1cc(=O)n2c(n1)CN(C(=O)[C@H]1CCc3[nH]c(=O)[nH]c(=O)c3C1)CCC2)c1ccco1 ZINC001176636742 1068357145 /nfs/dbraw/zinc/35/71/45/1068357145.db2.gz VLVBWFQOUHVRSX-ZDUSSCGKSA-N 0 0 480.481 0.505 20 0 JCADRN O=C([C@H]1CCc2[nH]c(=O)[nH]c(=O)c2C1)N1CCC2(CC1)C(=O)NCCN2Cc1ccccc1 ZINC001176636769 1068357181 /nfs/dbraw/zinc/35/71/81/1068357181.db2.gz WAJSDNLCJXIMRB-KRWDZBQOSA-N 0 0 451.527 0.986 20 0 JCADRN O=C([C@@H]1CCc2[nH]c(=O)[nH]c(=O)c2C1)N1CCC2(CC1)C(=O)NCCN2Cc1ccccc1 ZINC001176636770 1068357332 /nfs/dbraw/zinc/35/73/32/1068357332.db2.gz WAJSDNLCJXIMRB-QGZVFWFLSA-N 0 0 451.527 0.986 20 0 JCADRN O=C(NC[C@H]1OC[C@@H]2CCN(C(=O)[C@H]3CCc4[nH]c(=O)[nH]c(=O)c4C3)C[C@@H]21)c1ccncc1 ZINC001176636983 1068357160 /nfs/dbraw/zinc/35/71/60/1068357160.db2.gz WYMOASUERHZXRE-RIVXBTQJSA-N 0 0 453.499 0.681 20 0 JCADRN O=C(NC[C@H]1OC[C@@H]2CCN(C(=O)[C@@H]3CCc4[nH]c(=O)[nH]c(=O)c4C3)C[C@@H]21)c1ccncc1 ZINC001176636986 1068357246 /nfs/dbraw/zinc/35/72/46/1068357246.db2.gz WYMOASUERHZXRE-WXSAJPJJSA-N 0 0 453.499 0.681 20 0 JCADRN Cn1cc(C(=O)NC[C@H]2OC[C@@H]3CN(C(=O)[C@H]4CCc5[nH]c(=O)[nH]c(=O)c5C4)CC[C@@H]32)cn1 ZINC001176637231 1068357273 /nfs/dbraw/zinc/35/72/73/1068357273.db2.gz YNUQEHIHQADXSC-ADOMEBDSSA-N 0 0 456.503 0.020 20 0 JCADRN Cn1cc(C(=O)NC[C@H]2OC[C@@H]3CN(C(=O)[C@@H]4CCc5[nH]c(=O)[nH]c(=O)c5C4)CC[C@@H]32)cn1 ZINC001176637232 1068357386 /nfs/dbraw/zinc/35/73/86/1068357386.db2.gz YNUQEHIHQADXSC-OYUZRVEBSA-N 0 0 456.503 0.020 20 0 JCADRN CN(Cc1ccccn1)C(=O)[C@@H]1C[C@@H]2[C@@H](CCN2C(=O)[C@H]2CCc3[nH]c(=O)[nH]c(=O)c3C2)O1 ZINC001176637315 1068357259 /nfs/dbraw/zinc/35/72/59/1068357259.db2.gz ZPPVEGPKSLUSMQ-CJODITQLSA-N 0 0 453.499 0.805 20 0 JCADRN CN(Cc1ccccn1)C(=O)[C@@H]1C[C@@H]2[C@@H](CCN2C(=O)[C@@H]2CCc3[nH]c(=O)[nH]c(=O)c3C2)O1 ZINC001176637316 1068357742 /nfs/dbraw/zinc/35/77/42/1068357742.db2.gz ZPPVEGPKSLUSMQ-XEKGUZQTSA-N 0 0 453.499 0.805 20 0 JCADRN O=C([C@H]1CCc2[nH]c(=O)[nH]c(=O)c2C1)N1CCC2(CC1)CN(Cc1cccnc1)C(=O)CO2 ZINC001176637347 1068357774 /nfs/dbraw/zinc/35/77/74/1068357774.db2.gz ZXMKQZTYWQFCLI-INIZCTEOSA-N 0 0 453.499 0.808 20 0 JCADRN O=C([C@@H]1CCc2[nH]c(=O)[nH]c(=O)c2C1)N1CCC2(CC1)CN(Cc1cccnc1)C(=O)CO2 ZINC001176637348 1068358062 /nfs/dbraw/zinc/35/80/62/1068358062.db2.gz ZXMKQZTYWQFCLI-MRXNPFEDSA-N 0 0 453.499 0.808 20 0 JCADRN COc1nccn(C(=O)[C@@H]2CCc3[nH]c(=O)[nH]c(=O)c3C2)c1=NS(=O)(=O)c1ccc(N)cc1 ZINC001176646301 1068357997 /nfs/dbraw/zinc/35/79/97/1068357997.db2.gz BVQRYZAPIDQOSH-LLVKDONJSA-N 0 0 472.483 0.410 20 0 JCADRN COc1nccn(C(=O)[C@H]2CCc3[nH]c(=O)[nH]c(=O)c3C2)c1=NS(=O)(=O)c1ccc(N)cc1 ZINC001176646303 1068357706 /nfs/dbraw/zinc/35/77/06/1068357706.db2.gz BVQRYZAPIDQOSH-NSHDSACASA-N 0 0 472.483 0.410 20 0 JCADRN CCOC(=O)c1cnn2c1nccc2[C@@H]1CN(C(=O)[C@@H]2CCc3[nH]c(=O)[nH]c(=O)c3C2)CCO1 ZINC001176646306 1068357956 /nfs/dbraw/zinc/35/79/56/1068357956.db2.gz BWPJTWJMQFPRLT-PXAZEXFGSA-N 0 0 468.470 0.812 20 0 JCADRN CCOC(=O)c1cnn2c1nccc2[C@@H]1CN(C(=O)[C@H]2CCc3[nH]c(=O)[nH]c(=O)c3C2)CCO1 ZINC001176646309 1068357832 /nfs/dbraw/zinc/35/78/32/1068357832.db2.gz BWPJTWJMQFPRLT-SJCJKPOMSA-N 0 0 468.470 0.812 20 0 JCADRN CCOC(=O)c1cnn2c1nccc2[C@H]1CN(C(=O)[C@@H]2CCc3[nH]c(=O)[nH]c(=O)c3C2)CCO1 ZINC001176646311 1068358051 /nfs/dbraw/zinc/35/80/51/1068358051.db2.gz BWPJTWJMQFPRLT-SJKOYZFVSA-N 0 0 468.470 0.812 20 0 JCADRN CCOC(=O)c1cnn2c1nccc2[C@H]1CN(C(=O)[C@H]2CCc3[nH]c(=O)[nH]c(=O)c3C2)CCO1 ZINC001176646314 1068357765 /nfs/dbraw/zinc/35/77/65/1068357765.db2.gz BWPJTWJMQFPRLT-YVEFUNNKSA-N 0 0 468.470 0.812 20 0 JCADRN Cc1ccc(S(=O)(=O)N2CC=C(n3c(N)c4ncn(COCCO)c4nc3=N)CC2)cc1 ZINC001176648092 1068357813 /nfs/dbraw/zinc/35/78/13/1068357813.db2.gz OUFLMFIUXPDALD-UHFFFAOYSA-N 0 0 459.532 0.505 20 0 JCADRN COc1ccc(S(=O)(=O)NC2CCN(C(=O)[C@@H]3CCc4[nH]c(=O)[nH]c(=O)c4C3)CC2)cc1 ZINC001176648771 1068359698 /nfs/dbraw/zinc/35/96/98/1068359698.db2.gz NOGDHQPKJIOBJK-CYBMUJFWSA-N 0 0 462.528 0.971 20 0 JCADRN COc1ccc(S(=O)(=O)NC2CCN(C(=O)[C@H]3CCc4[nH]c(=O)[nH]c(=O)c4C3)CC2)cc1 ZINC001176648773 1068359830 /nfs/dbraw/zinc/35/98/30/1068359830.db2.gz NOGDHQPKJIOBJK-ZDUSSCGKSA-N 0 0 462.528 0.971 20 0 JCADRN COc1ccc(CN2C(=O)N[C@]3(CCN(C(=O)[C@@H]4CCc5[nH]c(=O)[nH]c(=O)c5C4)C3)C2=O)cc1 ZINC001176650181 1068359858 /nfs/dbraw/zinc/35/98/58/1068359858.db2.gz RXIAYINWLCHVOA-FATZIPQQSA-N 0 0 467.482 0.724 20 0 JCADRN COc1ccc(CN2C(=O)N[C@@]3(CCN(C(=O)[C@H]4CCc5[nH]c(=O)[nH]c(=O)c5C4)C3)C2=O)cc1 ZINC001176650183 1068359657 /nfs/dbraw/zinc/35/96/57/1068359657.db2.gz RXIAYINWLCHVOA-LFVRLGFBSA-N 0 0 467.482 0.724 20 0 JCADRN COc1ccc(CN2C(=O)N[C@]3(CCN(C(=O)[C@H]4CCc5[nH]c(=O)[nH]c(=O)c5C4)C3)C2=O)cc1 ZINC001176650185 1068359520 /nfs/dbraw/zinc/35/95/20/1068359520.db2.gz RXIAYINWLCHVOA-PSLXWICFSA-N 0 0 467.482 0.724 20 0 JCADRN COc1ccc(CN2C(=O)N[C@@]3(CCN(C(=O)[C@@H]4CCc5[nH]c(=O)[nH]c(=O)c5C4)C3)C2=O)cc1 ZINC001176650188 1068359743 /nfs/dbraw/zinc/35/97/43/1068359743.db2.gz RXIAYINWLCHVOA-QKFKETGDSA-N 0 0 467.482 0.724 20 0 JCADRN CN(C(=O)CN1CCN(C)CC1)c1ccc(NC(=O)[C@H]2CCc3[nH]c(=O)[nH]c(=O)c3C2)cc1 ZINC001176667108 1068358385 /nfs/dbraw/zinc/35/83/85/1068358385.db2.gz JWQFUNXWYITXOW-HNNXBMFYSA-N 0 0 454.531 0.842 20 0 JCADRN CN(C(=O)CN1CCN(C)CC1)c1ccc(NC(=O)[C@@H]2CCc3[nH]c(=O)[nH]c(=O)c3C2)cc1 ZINC001176667109 1068358353 /nfs/dbraw/zinc/35/83/53/1068358353.db2.gz JWQFUNXWYITXOW-OAHLLOKOSA-N 0 0 454.531 0.842 20 0 JCADRN CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)N[C@@H]3Cc4cccnc4NC3=O)cc2)CC1 ZINC001176667704 1068358436 /nfs/dbraw/zinc/35/84/36/1068358436.db2.gz DHFFSZHOKKDXAU-GOSISDBHSA-N 0 0 457.512 0.228 20 0 JCADRN CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)N[C@H]3Cc4cccnc4NC3=O)cc2)CC1 ZINC001176667706 1068358454 /nfs/dbraw/zinc/35/84/54/1068358454.db2.gz DHFFSZHOKKDXAU-SFHVURJKSA-N 0 0 457.512 0.228 20 0 JCADRN O=C(N[C@H]1CCc2c(ccc(=O)n2CCn2cccn2)C1)[C@@H]1CCc2[nH]c(=O)[nH]c(=O)c2C1 ZINC001176670398 1068358691 /nfs/dbraw/zinc/35/86/91/1068358691.db2.gz ZYXIDQSBAHMMEW-CVEARBPZSA-N 0 0 450.499 0.725 20 0 JCADRN O=C(N[C@H]1CCc2c(ccc(=O)n2CCn2cccn2)C1)[C@H]1CCc2[nH]c(=O)[nH]c(=O)c2C1 ZINC001176670402 1068358559 /nfs/dbraw/zinc/35/85/59/1068358559.db2.gz ZYXIDQSBAHMMEW-HOTGVXAUSA-N 0 0 450.499 0.725 20 0 JCADRN O=C(N[C@@H]1CCc2c(ccc(=O)n2CCn2cccn2)C1)[C@@H]1CCc2[nH]c(=O)[nH]c(=O)c2C1 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Cc1cc(N2CCC(C(=O)N3C[C@H]4[C@@H](C3)S(=O)(=O)CC[C@@H]4C(=O)N3CCOCC3)CC2)ncn1 ZINC001177556739 1068431730 /nfs/dbraw/zinc/43/17/30/1068431730.db2.gz BZUSGQRQIIZONJ-XUVXKRRUSA-N 0 0 491.614 0.122 20 0 JCADRN Cc1cc(N2CCC(C(=O)N3C[C@@H]4COC[C@@H](CC(=O)N5CCOCC5)[C@@H]4C3)CC2)ncn1 ZINC001177556766 1068431791 /nfs/dbraw/zinc/43/17/91/1068431791.db2.gz CTEFBLKUJGEDKB-NJYVYQBISA-N 0 0 457.575 0.971 20 0 JCADRN Cc1cc(N2CCC(C(=O)N3CCC[C@H]3C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)CC2)ncn1 ZINC001177556820 1068427801 /nfs/dbraw/zinc/42/78/01/1068427801.db2.gz FRPUGTXAYBOUOW-OALUTQOASA-N 0 0 487.605 0.125 20 0 JCADRN Cc1cc(N2CCC(C(=O)N3C[C@H](NC(=O)c4nccn4C)[C@H]4OCCC[C@H]43)CC2)ncn1 ZINC001177556988 1068427847 /nfs/dbraw/zinc/42/78/47/1068427847.db2.gz MLIDORUZTSHIQZ-NLWGTHIKSA-N 0 0 453.547 0.923 20 0 JCADRN Cc1cc(N2CCC(C(=O)N3CCO[C@@]4(C3)COCCN(c3ncccn3)C4)CC2)ncn1 ZINC001177557009 1068427794 /nfs/dbraw/zinc/42/77/94/1068427794.db2.gz NDLLMUPCTIGXBI-HSZRJFAPSA-N 0 0 453.547 0.926 20 0 JCADRN Cc1cc(N2CCC(C(=O)N3CCO[C@]4(C3)COCCN(c3ncccn3)C4)CC2)ncn1 ZINC001177557010 1068427913 /nfs/dbraw/zinc/42/79/13/1068427913.db2.gz NDLLMUPCTIGXBI-QHCPKHFHSA-N 0 0 453.547 0.926 20 0 JCADRN Cc1cc(N2CCC(C(=O)N3CCc4ncc(CNC(=O)c5nccn5C)n4CC3)CC2)ncn1 ZINC001177557043 1068427925 /nfs/dbraw/zinc/42/79/25/1068427925.db2.gz OISGYTMSHFBUAH-UHFFFAOYSA-N 0 0 477.573 0.946 20 0 JCADRN Cc1cc(N2CCC(C(=O)N3CCc4ccc(=O)n(CC(=O)N(C)C)c4CC3)CC2)ncn1 ZINC001177557098 1068427918 /nfs/dbraw/zinc/42/79/18/1068427918.db2.gz QLDNIAIZPKPMIA-UHFFFAOYSA-N 0 0 452.559 0.879 20 0 JCADRN Cc1cc(N2CCC(C(=O)N3C[C@H]4C[C@H]5[C@@](CN(Cc6ccncc6)S5(=O)=O)(C3)O4)CC2)ncn1 ZINC001177557378 1068427880 /nfs/dbraw/zinc/42/78/80/1068427880.db2.gz SYSLTRYEGHRGGT-DPLHUUCSSA-N 0 0 498.609 0.981 20 0 JCADRN Cc1cc(N2CCC(C(=O)N3C[C@H](NC(=O)c4cnn(C)c4)[C@H]4OCCC[C@H]43)CC2)ncn1 ZINC001177557706 1068427871 /nfs/dbraw/zinc/42/78/71/1068427871.db2.gz ZEUKRGWQFWJRGV-QKNQBKEWSA-N 0 0 453.547 0.923 20 0 JCADRN Cc1cc(N2CCC(C(=O)Nc3cc(Cl)c(S(N)(=O)=O)cc3S(N)(=O)=O)CC2)ncn1 ZINC001177557826 1068427771 /nfs/dbraw/zinc/42/77/71/1068427771.db2.gz KSVPNPFNPCIANC-UHFFFAOYSA-N 0 0 488.979 0.588 20 0 JCADRN Cc1cc(N2CCC(C(=O)Nc3ccc(S[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@@H]4O)cc3)CC2)ncn1 ZINC001177558895 1068427910 /nfs/dbraw/zinc/42/79/10/1068427910.db2.gz RFBLLFLQIQZTAZ-JJSQAQTOSA-N 0 0 490.582 0.532 20 0 JCADRN Cc1cc(N2CCC(C(=O)Nc3ccc(S[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)cc3)CC2)ncn1 ZINC001177558896 1068427818 /nfs/dbraw/zinc/42/78/18/1068427818.db2.gz RFBLLFLQIQZTAZ-KGWQXZSYSA-N 0 0 490.582 0.532 20 0 JCADRN Cc1cc(N2CCC(C(=O)Nc3ccc(S[C@@H]4O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]4O)cc3)CC2)ncn1 ZINC001177558897 1068427875 /nfs/dbraw/zinc/42/78/75/1068427875.db2.gz RFBLLFLQIQZTAZ-KHOWPEFISA-N 0 0 490.582 0.532 20 0 JCADRN Cc1cc(N2CCC(C(=O)Nc3ccc(S[C@@H]4O[C@H](CO)[C@H](O)[C@@H](O)[C@H]4O)cc3)CC2)ncn1 ZINC001177558898 1068427896 /nfs/dbraw/zinc/42/78/96/1068427896.db2.gz RFBLLFLQIQZTAZ-PRHVIBFZSA-N 0 0 490.582 0.532 20 0 JCADRN CN1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)CCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC001177560344 1068427831 /nfs/dbraw/zinc/42/78/31/1068427831.db2.gz LCJFJKJLXPXLAY-NRFANRHFSA-N 0 0 458.584 0.768 20 0 JCADRN CN1CCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)CCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC001177560345 1068427742 /nfs/dbraw/zinc/42/77/42/1068427742.db2.gz LCJFJKJLXPXLAY-OAQYLSRUSA-N 0 0 458.584 0.768 20 0 JCADRN CN1CCN(C(=O)[C@H](Cc2ccccc2)NC(=O)Cc2ccc(S(N)(=O)=O)s2)CC1 ZINC001177560765 1068427855 /nfs/dbraw/zinc/42/78/55/1068427855.db2.gz PTAAUPSNRQHQKA-KRWDZBQOSA-N 0 0 450.586 0.440 20 0 JCADRN CN1CCN(C(=O)[C@@H](Cc2ccccc2)NC(=O)Cc2ccc(S(N)(=O)=O)s2)CC1 ZINC001177560766 1068427886 /nfs/dbraw/zinc/42/78/86/1068427886.db2.gz PTAAUPSNRQHQKA-QGZVFWFLSA-N 0 0 450.586 0.440 20 0 JCADRN O=C(Cc1ccnc(C(F)(F)F)c1)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@@H]2C(=O)N1CCOCC1 ZINC001177566288 1068428527 /nfs/dbraw/zinc/42/85/27/1068428527.db2.gz OUAVZVWKCRZREW-ARFHVFGLSA-N 0 0 475.489 0.763 20 0 JCADRN O=C(Cc1ccnc(C(F)(F)F)c1)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)N1CCOCC1 ZINC001177566289 1068428659 /nfs/dbraw/zinc/42/86/59/1068428659.db2.gz OUAVZVWKCRZREW-BZUAXINKSA-N 0 0 475.489 0.763 20 0 JCADRN CNS(=O)(=O)c1csc(C(=O)N[C@@H](Cc2ccccc2)C(=O)N2CCN(C)CC2)c1 ZINC001177567178 1068428585 /nfs/dbraw/zinc/42/85/85/1068428585.db2.gz RVQBTXPONDJOFN-KRWDZBQOSA-N 0 0 450.586 0.771 20 0 JCADRN CNS(=O)(=O)c1csc(C(=O)N[C@H](Cc2ccccc2)C(=O)N2CCN(C)CC2)c1 ZINC001177567183 1068428636 /nfs/dbraw/zinc/42/86/36/1068428636.db2.gz RVQBTXPONDJOFN-QGZVFWFLSA-N 0 0 450.586 0.771 20 0 JCADRN CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)Cc1ccnc(C(F)(F)F)c1)C(=O)NCC(N)=O ZINC001177567666 1068428506 /nfs/dbraw/zinc/42/85/06/1068428506.db2.gz FKDGNQFXEULNAE-GJZGRUSLSA-N 0 0 471.480 0.766 20 0 JCADRN CC(C)C(=O)N1CCN(C(=O)COc2ncc(Br)cn2)C[C@@]2(CCCC(=O)N2)C1 ZINC001177574761 1068428648 /nfs/dbraw/zinc/42/86/48/1068428648.db2.gz ASJMRKKIWIYUQZ-IBGZPJMESA-N 0 0 468.352 0.984 20 0 JCADRN CC(C)C(=O)N1CCN(C(=O)COc2ncc(Br)cn2)C[C@]2(CCCC(=O)N2)C1 ZINC001177574762 1068428691 /nfs/dbraw/zinc/42/86/91/1068428691.db2.gz ASJMRKKIWIYUQZ-LJQANCHMSA-N 0 0 468.352 0.984 20 0 JCADRN O=C(COCc1nnn2c1CN(C(=O)COc1ncc(Br)cn1)CCC2)N1CCCC1 ZINC001177574970 1068428667 /nfs/dbraw/zinc/42/86/67/1068428667.db2.gz FCBASIOJJMBPSK-UHFFFAOYSA-N 0 0 494.350 0.781 20 0 JCADRN O=C(COc1ncc(Br)cn1)N1C[C@@H]2COC[C@H](C(=O)Nc3cnccn3)[C@@H]2C1 ZINC001177575078 1068428720 /nfs/dbraw/zinc/42/87/20/1068428720.db2.gz GSMUBURPVWTCNL-BNOWGMLFSA-N 0 0 463.292 0.768 20 0 JCADRN Cn1nc(C(=O)N2CCN(C)CC2)c2c1CN(C(=O)COc1ncc(Br)cn1)CC2 ZINC001177575270 1068428728 /nfs/dbraw/zinc/42/87/28/1068428728.db2.gz IKELMJBOYPBFNH-UHFFFAOYSA-N 0 0 478.351 0.324 20 0 JCADRN CC(=O)N1CC(=O)N(c2cccnc2)C[C@@]12CCN(C(=O)COc1ncc(Br)cn1)C2 ZINC001177575295 1068428517 /nfs/dbraw/zinc/42/85/17/1068428517.db2.gz IRJVCEMJDZYLAR-FQEVSTJZSA-N 0 0 489.330 0.879 20 0 JCADRN CC(=O)N1CC(=O)N(c2cccnc2)C[C@]12CCN(C(=O)COc1ncc(Br)cn1)C2 ZINC001177575298 1068428619 /nfs/dbraw/zinc/42/86/19/1068428619.db2.gz IRJVCEMJDZYLAR-HXUWFJFHSA-N 0 0 489.330 0.879 20 0 JCADRN O=C(COc1ncc(Br)cn1)N1CCC2(C[C@H](C(=O)N3CCOCC3)CO2)CC1 ZINC001177575355 1068428497 /nfs/dbraw/zinc/42/84/97/1068428497.db2.gz JIHITMADLXWEJY-AWEZNQCLSA-N 0 0 469.336 0.874 20 0 JCADRN O=C(COc1ncc(Br)cn1)N1CCC2(C[C@@H](C(=O)N3CCOCC3)CO2)CC1 ZINC001177575356 1068428540 /nfs/dbraw/zinc/42/85/40/1068428540.db2.gz JIHITMADLXWEJY-CQSZACIVSA-N 0 0 469.336 0.874 20 0 JCADRN COCCNC(=O)[C@H]1Cn2nccc2CN(C(=O)COc2ncc(Br)cn2)C1 ZINC001177575397 1068428697 /nfs/dbraw/zinc/42/86/97/1068428697.db2.gz JYWADZNITRFTQC-GFCCVEGCSA-N 0 0 453.297 0.236 20 0 JCADRN COCCNC(=O)[C@@H]1Cn2nccc2CN(C(=O)COc2ncc(Br)cn2)C1 ZINC001177575399 1068428473 /nfs/dbraw/zinc/42/84/73/1068428473.db2.gz JYWADZNITRFTQC-LBPRGKRZSA-N 0 0 453.297 0.236 20 0 JCADRN CN(C)C(=O)COC[C@H]1CC[C@@H]2[C@@H](CCN2C(=O)COc2ncc(Br)cn2)O1 ZINC001177575425 1068429118 /nfs/dbraw/zinc/42/91/18/1068429118.db2.gz KOIDWAVKFFWZKF-RBSFLKMASA-N 0 0 457.325 0.871 20 0 JCADRN Cn1cc(C(=O)NC[C@H]2OC[C@@H]3CN(C(=O)COc4ncc(Br)cn4)CC[C@@H]32)cn1 ZINC001177575430 1068429146 /nfs/dbraw/zinc/42/91/46/1068429146.db2.gz KUQGACGUDMWCNO-CWRNSKLLSA-N 0 0 479.335 0.645 20 0 JCADRN O=C(COc1ncc(Br)cn1)N1C[C@@H]2COC[C@H](C(=O)N3CCCCO3)[C@@H]2C1 ZINC001177575443 1068429316 /nfs/dbraw/zinc/42/93/16/1068429316.db2.gz LJLGXXVKUGBIOT-YUELXQCFSA-N 0 0 455.309 0.893 20 0 JCADRN Cn1ccnc1C(=O)N[C@H]1CN(C(=O)COc2ncc(Br)cn2)[C@@H]2CCCO[C@@H]21 ZINC001177575481 1068429155 /nfs/dbraw/zinc/42/91/55/1068429155.db2.gz LOAFULFTHWEDSG-GZBFAFLISA-N 0 0 465.308 0.540 20 0 JCADRN CNC(=O)CN1CCOC[C@]2(CCCN(C(=O)COc3ncc(Br)cn3)C2)C1 ZINC001177575680 1068429339 /nfs/dbraw/zinc/42/93/39/1068429339.db2.gz OQHYNGSPCHJSEY-GOSISDBHSA-N 0 0 456.341 0.305 20 0 JCADRN CNC(=O)CN1CCOC[C@@]2(CCCN(C(=O)COc3ncc(Br)cn3)C2)C1 ZINC001177575682 1068429324 /nfs/dbraw/zinc/42/93/24/1068429324.db2.gz OQHYNGSPCHJSEY-SFHVURJKSA-N 0 0 456.341 0.305 20 0 JCADRN O=C(COc1ncc(Br)cn1)Nc1ccnc2c(N(CCO)CCO)cnn21 ZINC001177575716 1068429298 /nfs/dbraw/zinc/42/92/98/1068429298.db2.gz OZJRKHZUGVHCMI-UHFFFAOYSA-N 0 0 452.269 0.090 20 0 JCADRN O=C(COc1ncc(Br)cn1)N1CCC2(CC1)CN(c1cncnc1)C(=O)CO2 ZINC001177575790 1068429237 /nfs/dbraw/zinc/42/92/37/1068429237.db2.gz PMWPJPHXLLOWAZ-UHFFFAOYSA-N 0 0 463.292 0.833 20 0 JCADRN O=C(COC[C@]12COC[C@H]1CN(C(=O)COc1ncc(Br)cn1)C2)N1CCCC1 ZINC001177575880 1068429307 /nfs/dbraw/zinc/42/93/07/1068429307.db2.gz QVBABPGFICPXDY-KUHUBIRLSA-N 0 0 469.336 0.732 20 0 JCADRN CN(C)C(=O)CN1CC[C@@]2(CCCN(C(=O)COc3ncc(Br)cn3)C2)C1=O ZINC001177575960 1068429177 /nfs/dbraw/zinc/42/91/77/1068429177.db2.gz STICWYIRXUZXNK-GOSISDBHSA-N 0 0 454.325 0.547 20 0 JCADRN CN(C)C(=O)CN1CC[C@]2(CCCN(C(=O)COc3ncc(Br)cn3)C2)C1=O ZINC001177575961 1068429200 /nfs/dbraw/zinc/42/92/00/1068429200.db2.gz STICWYIRXUZXNK-SFHVURJKSA-N 0 0 454.325 0.547 20 0 JCADRN CC(C)(C)OC(=O)N1CC[C@]2(C1)CNC(=O)CN2C(=O)COc1ncc(Br)cn1 ZINC001177576062 1068429191 /nfs/dbraw/zinc/42/91/91/1068429191.db2.gz UYPDZAKQRZOWOP-GOSISDBHSA-N 0 0 470.324 0.956 20 0 JCADRN CC(C)(C)OC(=O)N1CC[C@@]2(C1)CNC(=O)CN2C(=O)COc1ncc(Br)cn1 ZINC001177576064 1068429263 /nfs/dbraw/zinc/42/92/63/1068429263.db2.gz UYPDZAKQRZOWOP-SFHVURJKSA-N 0 0 470.324 0.956 20 0 JCADRN O=C(COc1ncc(Br)cn1)N1C[C@@H]2COC[C@@H](CC(=O)N3CCOCC3)[C@@H]2C1 ZINC001177576104 1068429211 /nfs/dbraw/zinc/42/92/11/1068429211.db2.gz VSXWPUFESWHTEL-FMKPAKJESA-N 0 0 469.336 0.588 20 0 JCADRN Cn1cnc2c1[C@H](COCCN1CCOCC1)CN(C(=O)COc1ncc(Br)cn1)C2 ZINC001177576119 1068429218 /nfs/dbraw/zinc/42/92/18/1068429218.db2.gz VVJJZTQTQDLDQT-HNNXBMFYSA-N 0 0 495.378 0.826 20 0 JCADRN Cn1cnc2c1[C@@H](COCCN1CCOCC1)CN(C(=O)COc1ncc(Br)cn1)C2 ZINC001177576121 1068429271 /nfs/dbraw/zinc/42/92/71/1068429271.db2.gz VVJJZTQTQDLDQT-OAHLLOKOSA-N 0 0 495.378 0.826 20 0 JCADRN CN(C)C(=O)COCc1noc2c1CN(C(=O)COc1ncc(Br)cn1)CC2 ZINC001177576169 1068430102 /nfs/dbraw/zinc/43/01/02/1068430102.db2.gz WYHKRZCIONSKMM-UHFFFAOYSA-N 0 0 454.281 0.796 20 0 JCADRN O=C(COc1ncc(Br)cn1)N1CCCn2c(=O)cc(Cn3ccnc3)nc2C1 ZINC001177576180 1068430127 /nfs/dbraw/zinc/43/01/27/1068430127.db2.gz XEVXBUWJPXCGOI-UHFFFAOYSA-N 0 0 460.292 0.852 20 0 JCADRN COC[C@H]1Cn2nnc(-c3cnn(C)c3)c2CN1C(=O)COc1ncc(Br)cn1 ZINC001177576205 1068429987 /nfs/dbraw/zinc/42/99/87/1068429987.db2.gz YGSGOSPPQKBGOK-CYBMUJFWSA-N 0 0 463.296 0.667 20 0 JCADRN COC[C@@H]1Cn2nnc(-c3cnn(C)c3)c2CN1C(=O)COc1ncc(Br)cn1 ZINC001177576206 1068429938 /nfs/dbraw/zinc/42/99/38/1068429938.db2.gz YGSGOSPPQKBGOK-ZDUSSCGKSA-N 0 0 463.296 0.667 20 0 JCADRN O=C(COc1ncc(Br)cn1)N1CCn2c(CNC(=O)c3ccno3)cnc2C1 ZINC001177576213 1068429975 /nfs/dbraw/zinc/42/99/75/1068429975.db2.gz YNBWAHHHAGFLPR-UHFFFAOYSA-N 0 0 462.264 0.775 20 0 JCADRN COC(=O)[C@@]1(C)C[C@@H](N2CCOCC2)CCN1C(=O)COc1ncc(Br)cn1 ZINC001177576276 1068430054 /nfs/dbraw/zinc/43/00/54/1068430054.db2.gz ZRSLSVVVERNILC-KBXCAEBGSA-N 0 0 457.325 0.873 20 0 JCADRN COC(=O)[C@]1(C)C[C@H](N2CCOCC2)CCN1C(=O)COc1ncc(Br)cn1 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/nfs/dbraw/zinc/50/94/34/1068509434.db2.gz AATWOBHPHDGZMR-WIYYLYMNSA-N 0 0 450.561 0.377 20 0 JCADRN CS(=O)(=O)N1CCC(C(=O)N2CC[C@H]3CO[C@H](CNC(=O)c4ccncc4)[C@H]3C2)CC1 ZINC001178763519 1068509171 /nfs/dbraw/zinc/50/91/71/1068509171.db2.gz CNMQKWSKLJEFHK-GBESFXJTSA-N 0 0 450.561 0.347 20 0 JCADRN CS(=O)(=O)N1CCC(C(=O)N2CC[C@H]3[C@H](C[C@@H](Cn4cncn4)N3c3nccs3)C2)CC1 ZINC001178763529 1068509247 /nfs/dbraw/zinc/50/92/47/1068509247.db2.gz CWNOAEKGEWNJKW-SQNIBIBYSA-N 0 0 479.632 0.902 20 0 JCADRN CN(Cc1ccccn1)C(=O)[C@@H]1C[C@@H]2[C@@H](CCN2C(=O)C2CCN(S(C)(=O)=O)CC2)O1 ZINC001178763546 1068509394 /nfs/dbraw/zinc/50/93/94/1068509394.db2.gz DROVAQGUSIACFX-QRVBRYPASA-N 0 0 450.561 0.470 20 0 JCADRN CS(=O)(=O)N1CCC(C(=O)N2CC[C@H]3[C@@H](CC(=O)NCc4ccco4)OC[C@H]3C2)CC1 ZINC001178763602 1068509154 /nfs/dbraw/zinc/50/91/54/1068509154.db2.gz BLFVRTCTFLRXCI-BHIYHBOVSA-N 0 0 453.561 0.821 20 0 JCADRN CC(C)CC(=O)NCc1cc(=O)n2c(n1)CN(C(=O)C1CCN(S(C)(=O)=O)CC1)CCC2 ZINC001178763639 1068509283 /nfs/dbraw/zinc/50/92/83/1068509283.db2.gz DBKWXXHBMFUBMS-UHFFFAOYSA-N 0 0 467.592 0.310 20 0 JCADRN CC(C)(C)OC(=O)N1CC2(C1)CN(C(=O)C1CCN(S(C)(=O)=O)CC1)C[C@]21CCNC1=O ZINC001178763666 1068509383 /nfs/dbraw/zinc/50/93/83/1068509383.db2.gz FFNVVXMQOKYMOY-NRFANRHFSA-N 0 0 470.592 0.244 20 0 JCADRN CC(C)(C)OC(=O)N1CC2(C1)CN(C(=O)C1CCN(S(C)(=O)=O)CC1)C[C@@]21CCNC1=O ZINC001178763667 1068509136 /nfs/dbraw/zinc/50/91/36/1068509136.db2.gz FFNVVXMQOKYMOY-OAQYLSRUSA-N 0 0 470.592 0.244 20 0 JCADRN CS(=O)(=O)N1CCC(C(=O)N2CC[C@H]3OCC[C@@H](C(=O)NCCc4ccncc4)[C@@H]3C2)CC1 ZINC001178763673 1068509188 /nfs/dbraw/zinc/50/91/88/1068509188.db2.gz FTFRGKSFVLGXFU-QHAWAJNXSA-N 0 0 478.615 0.666 20 0 JCADRN CS(=O)(=O)N1CCC(C(=O)N2CCC3(CC2)CN(Cc2cccnc2)C(=O)CO3)CC1 ZINC001178763699 1068509869 /nfs/dbraw/zinc/50/98/69/1068509869.db2.gz GZNAAZDUAMMINJ-UHFFFAOYSA-N 0 0 450.561 0.473 20 0 JCADRN CS(=O)(=O)N1CCC(C(=O)N2CC[C@H]3C[C@H](C(=O)NCCc4ccccn4)O[C@H]3C2)CC1 ZINC001178763785 1068509951 /nfs/dbraw/zinc/50/99/51/1068509951.db2.gz FVDWRRILPXMAON-SXLOBPIMSA-N 0 0 464.588 0.418 20 0 JCADRN Cc1cccc(CN2CCO[C@H]3CN(C(=O)C4CCN(S(C)(=O)=O)CC4)CC[C@H]3C2=O)n1 ZINC001178763802 1068509908 /nfs/dbraw/zinc/50/99/08/1068509908.db2.gz GNSFJBVOZCHDBQ-UXHICEINSA-N 0 0 464.588 0.638 20 0 JCADRN Cc1ccc(NC[C@@H]2CO[C@@]3(C2)COCCN(C(=O)C2CCN(S(C)(=O)=O)CC2)C3)nn1 ZINC001178763869 1068509681 /nfs/dbraw/zinc/50/96/81/1068509681.db2.gz JHRBJCXTGGTWRF-DYESRHJHSA-N 0 0 467.592 0.503 20 0 JCADRN CN1CC(=O)N(c2cccc(F)c2)C[C@@]12CCN(C(=O)C1CCN(S(C)(=O)=O)CC1)C2 ZINC001178763891 1068509799 /nfs/dbraw/zinc/50/97/99/1068509799.db2.gz LGBGPGQMMMSAJZ-NRFANRHFSA-N 0 0 452.552 0.747 20 0 JCADRN CN1CC(=O)N(c2cccc(F)c2)C[C@]12CCN(C(=O)C1CCN(S(C)(=O)=O)CC1)C2 ZINC001178763892 1068509818 /nfs/dbraw/zinc/50/98/18/1068509818.db2.gz LGBGPGQMMMSAJZ-OAQYLSRUSA-N 0 0 452.552 0.747 20 0 JCADRN COc1cc2ncnc(N3CCN(C(=O)C4CCN(S(C)(=O)=O)CC4)CC3)c2cc1OC ZINC001178763930 1068509765 /nfs/dbraw/zinc/50/97/65/1068509765.db2.gz MVLVWKKVBMYMJS-UHFFFAOYSA-N 0 0 463.560 0.967 20 0 JCADRN CS(=O)(=O)N1CC[C@]2(c3ccccc3)CCN(C(=O)C3CCN(S(C)(=O)=O)CC3)C[C@@H]12 ZINC001178763949 1068509885 /nfs/dbraw/zinc/50/98/85/1068509885.db2.gz NOYUTAPGNMJCGQ-CTNGQTDRSA-N 0 0 469.629 0.862 20 0 JCADRN CS(=O)(=O)N1CC[C@]2(c3ccccc3)CCN(C(=O)C3CCN(S(C)(=O)=O)CC3)C[C@H]12 ZINC001178763950 1068509856 /nfs/dbraw/zinc/50/98/56/1068509856.db2.gz NOYUTAPGNMJCGQ-FPOVZHCZSA-N 0 0 469.629 0.862 20 0 JCADRN CS(=O)(=O)N1CC[C@@]2(c3ccccc3)CCN(C(=O)C3CCN(S(C)(=O)=O)CC3)C[C@H]12 ZINC001178763951 1068509919 /nfs/dbraw/zinc/50/99/19/1068509919.db2.gz NOYUTAPGNMJCGQ-PZJWPPBQSA-N 0 0 469.629 0.862 20 0 JCADRN CS(=O)(=O)N1CC[C@@]2(c3ccccc3)CCN(C(=O)C3CCN(S(C)(=O)=O)CC3)C[C@@H]12 ZINC001178763952 1068509932 /nfs/dbraw/zinc/50/99/32/1068509932.db2.gz NOYUTAPGNMJCGQ-TZIWHRDSSA-N 0 0 469.629 0.862 20 0 JCADRN Cc1ccc(NC[C@H]2CO[C@@]3(C2)COCCN(C(=O)C2CCN(S(C)(=O)=O)CC2)C3)nn1 ZINC001178763973 1068509709 /nfs/dbraw/zinc/50/97/09/1068509709.db2.gz JHRBJCXTGGTWRF-LAUBAEHRSA-N 0 0 467.592 0.503 20 0 JCADRN Cc1ccc(NC[C@@H]2CO[C@]3(C2)COCCN(C(=O)C2CCN(S(C)(=O)=O)CC2)C3)nn1 ZINC001178763975 1068509838 /nfs/dbraw/zinc/50/98/38/1068509838.db2.gz JHRBJCXTGGTWRF-UTKZUKDTSA-N 0 0 467.592 0.503 20 0 JCADRN Cc1ccc(NC[C@H]2CO[C@]3(C2)COCCN(C(=O)C2CCN(S(C)(=O)=O)CC2)C3)nn1 ZINC001178763977 1068509745 /nfs/dbraw/zinc/50/97/45/1068509745.db2.gz JHRBJCXTGGTWRF-UWJYYQICSA-N 0 0 467.592 0.503 20 0 JCADRN CS(=O)(=O)N1CCC(C(=O)N2CCOC[C@@]3(CN(c4ccsc4)C(=O)CO3)C2)CC1 ZINC001178764030 1068509695 /nfs/dbraw/zinc/50/96/95/1068509695.db2.gz KGLCIHNCBVSEPI-IBGZPJMESA-N 0 0 457.574 0.381 20 0 JCADRN CS(=O)(=O)N1CCC(C(=O)N2CCOC[C@]3(CN(c4ccsc4)C(=O)CO3)C2)CC1 ZINC001178764033 1068509943 /nfs/dbraw/zinc/50/99/43/1068509943.db2.gz KGLCIHNCBVSEPI-LJQANCHMSA-N 0 0 457.574 0.381 20 0 JCADRN CS(=O)(=O)N1CCC(C(=O)N2C[C@@H]3COC[C@]3(C(=O)NCCc3cccs3)C2)CC1 ZINC001178764040 1068509895 /nfs/dbraw/zinc/50/98/95/1068509895.db2.gz KLWILSTXFFBHFE-OXQOHEQNSA-N 0 0 455.602 0.553 20 0 JCADRN CS(=O)(=O)N1CCC(C(=O)N2CC[C@H]3OC[C@@H](C(=O)NCCc4ccccn4)C[C@H]3C2)CC1 ZINC001178764053 1068510267 /nfs/dbraw/zinc/51/02/67/1068510267.db2.gz KSFQLUQUZUAALL-IRFCIJBXSA-N 0 0 478.615 0.666 20 0 JCADRN COC(=O)c1cc2c(nc1-c1cnn(C)c1)CCN(C(=O)C1CCN(S(C)(=O)=O)CC1)CC2 ZINC001178764062 1068510380 /nfs/dbraw/zinc/51/03/80/1068510380.db2.gz KXZPVBWFIYKNNU-UHFFFAOYSA-N 0 0 475.571 0.868 20 0 JCADRN CS(=O)(=O)N1CCC(C(=O)N2C[C@H]3OCC[C@H]3[C@H](C(=O)NCc3cccnc3)C2)CC1 ZINC001178764072 1068510237 /nfs/dbraw/zinc/51/02/37/1068510237.db2.gz LDNJEIZQKMJBLP-IPMKNSEASA-N 0 0 450.561 0.233 20 0 JCADRN CCN(CC)C(=O)c1cccnc1N1CCN(C(=O)C2CCN(S(C)(=O)=O)CC2)CC1 ZINC001178764143 1068510352 /nfs/dbraw/zinc/51/03/52/1068510352.db2.gz SAZSIUCLWHQDKJ-UHFFFAOYSA-N 0 0 451.593 0.884 20 0 JCADRN COC[C@@H]1CC2(CN1S(=O)(=O)C1CC1)CCN(C(=O)C1CCN(S(C)(=O)=O)CC1)CC2 ZINC001178764150 1068510161 /nfs/dbraw/zinc/51/01/61/1068510161.db2.gz SEFLHKGBTCXWCV-KRWDZBQOSA-N 0 0 477.649 0.480 20 0 JCADRN COC[C@H]1CC2(CN1S(=O)(=O)C1CC1)CCN(C(=O)C1CCN(S(C)(=O)=O)CC1)CC2 ZINC001178764151 1068510128 /nfs/dbraw/zinc/51/01/28/1068510128.db2.gz SEFLHKGBTCXWCV-QGZVFWFLSA-N 0 0 477.649 0.480 20 0 JCADRN CS(=O)(=O)N1CCC(C(=O)N2CCC[C@]3(CC(C(=O)NCc4ccncc4)=NO3)C2)CC1 ZINC001178764218 1068510319 /nfs/dbraw/zinc/51/03/19/1068510319.db2.gz VSLKFQACKVFSPL-NRFANRHFSA-N 0 0 463.560 0.507 20 0 JCADRN CS(=O)(=O)N1CCC(C(=O)N2CCC[C@@]3(CC(C(=O)NCc4ccncc4)=NO3)C2)CC1 ZINC001178764219 1068510174 /nfs/dbraw/zinc/51/01/74/1068510174.db2.gz VSLKFQACKVFSPL-OAQYLSRUSA-N 0 0 463.560 0.507 20 0 JCADRN CS(=O)(=O)N1CCC(C(=O)N2CCC[C@@]3(C2)COCCN(c2ncc(F)cn2)C3)CC1 ZINC001178764224 1068510114 /nfs/dbraw/zinc/51/01/14/1068510114.db2.gz VXTIVYYHIGMOSC-FQEVSTJZSA-N 0 0 455.556 0.733 20 0 JCADRN CS(=O)(=O)N1CCC(C(=O)N2CCC[C@]3(C2)COCCN(c2ncc(F)cn2)C3)CC1 ZINC001178764225 1068510366 /nfs/dbraw/zinc/51/03/66/1068510366.db2.gz VXTIVYYHIGMOSC-HXUWFJFHSA-N 0 0 455.556 0.733 20 0 JCADRN CS(=O)(=O)N1CCC(C(=O)N2CC[C@]3(CC(C(=O)NCc4ccc(F)cc4)=NO3)C2)CC1 ZINC001178764348 1068510191 /nfs/dbraw/zinc/51/01/91/1068510191.db2.gz QNVMCWNPHNWTPO-NRFANRHFSA-N 0 0 466.535 0.861 20 0 JCADRN CS(=O)(=O)N1CCC(C(=O)N2CC[C@@]3(CC(C(=O)NCc4ccc(F)cc4)=NO3)C2)CC1 ZINC001178764349 1068510222 /nfs/dbraw/zinc/51/02/22/1068510222.db2.gz QNVMCWNPHNWTPO-OAQYLSRUSA-N 0 0 466.535 0.861 20 0 JCADRN CS(=O)(=O)N1CCC(C(=O)N2CCCn3c(=O)cc(CNC(=O)c4ccco4)nc3C2)CC1 ZINC001178764416 1068510334 /nfs/dbraw/zinc/51/03/34/1068510334.db2.gz ZUNLVDVMFPZUHY-UHFFFAOYSA-N 0 0 477.543 0.170 20 0 JCADRN C[C@@H]1N(c2cnn(C)c2)C(=O)COC12CCN(C(=O)C1CCN(S(C)(=O)=O)CC1)CC2 ZINC001178764498 1068510254 /nfs/dbraw/zinc/51/02/54/1068510254.db2.gz VEVYXVNGLGRTEJ-HNNXBMFYSA-N 0 0 453.565 0.205 20 0 JCADRN C[C@H]1N(c2cnn(C)c2)C(=O)COC12CCN(C(=O)C1CCN(S(C)(=O)=O)CC1)CC2 ZINC001178764499 1068510205 /nfs/dbraw/zinc/51/02/05/1068510205.db2.gz VEVYXVNGLGRTEJ-OAHLLOKOSA-N 0 0 453.565 0.205 20 0 JCADRN CN(C)C(=O)CN1CC[C@]2(CN(C(=O)C3CCN(S(C)(=O)=O)CC3)C[C@H]2c2ccccc2)C1=O ZINC001178764534 1068510144 /nfs/dbraw/zinc/51/01/44/1068510144.db2.gz WGDHDEDHRJOFPX-GBXCKJPGSA-N 0 0 490.626 0.591 20 0 JCADRN CS(=O)(=O)N1CCC(C(=O)N2C[C@H]3C[C@H]4[C@@](CN(CCc5ccccc5)S4(=O)=O)(C2)O3)CC1 ZINC001178764580 1068510396 /nfs/dbraw/zinc/51/03/96/1068510396.db2.gz YNOFLJNAMIRDMW-URVUXULASA-N 0 0 497.639 0.285 20 0 JCADRN CS(=O)(=O)N1CCC(C(=O)N2C[C@@H](NC(=O)c3cccnc3)[C@H]3OCCC[C@H]3C2)CC1 ZINC001178764593 1068510826 /nfs/dbraw/zinc/51/08/26/1068510826.db2.gz ZEBHEEXEJIBMOL-OTWHNJEPSA-N 0 0 450.561 0.489 20 0 JCADRN COc1ccc(N(C(=O)C2CCN(S(C)(=O)=O)CC2)S(=O)(=O)c2ccc(N)cc2)nn1 ZINC001178764689 1068510758 /nfs/dbraw/zinc/51/07/58/1068510758.db2.gz FDIOTMTWZDYGQC-UHFFFAOYSA-N 0 0 469.545 0.461 20 0 JCADRN COc1ccc(CN2C(=O)N[C@]3(CCN(C(=O)C4CCN(S(C)(=O)=O)CC4)C3)C2=O)cc1 ZINC001178764745 1068510840 /nfs/dbraw/zinc/51/08/40/1068510840.db2.gz HWRQQRSJXANCJG-NRFANRHFSA-N 0 0 464.544 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/nfs/dbraw/zinc/51/55/53/1068515553.db2.gz ABULKTWWCAYMSL-HUUCEWRRSA-N 0 0 468.530 0.820 20 0 JCADRN CN(C)C(=O)COCc1nnc2n1CCN(C(=O)[C@H]1C[C@@H](F)CN(C(=O)OC(C)(C)C)C1)C2 ZINC001178881784 1068515191 /nfs/dbraw/zinc/51/51/91/1068515191.db2.gz ABULKTWWCAYMSL-LSDHHAIUSA-N 0 0 468.530 0.820 20 0 JCADRN CC1C(=O)N=C(CCN(C)C(=O)CNS(=O)(=O)c2ccc(Br)cc2)NC1=O ZINC001178886393 1068515985 /nfs/dbraw/zinc/51/59/85/1068515985.db2.gz XHZPLYFBTZLESD-UHFFFAOYSA-N 0 0 459.322 0.938 20 0 JCADRN CC(=O)N1CC2(C1)CN(C(=O)[C@@H]1C[C@@H](F)CN(C(=O)OC(C)(C)C)C1)C[C@@H]2C(=O)N(C)C ZINC001178886840 1068516085 /nfs/dbraw/zinc/51/60/85/1068516085.db2.gz LOOGQZDEHCXINC-BRWVUGGUSA-N 0 0 454.543 0.977 20 0 JCADRN CC(=O)N1CC2(C1)CN(C(=O)[C@@H]1C[C@H](F)CN(C(=O)OC(C)(C)C)C1)C[C@H]2C(=O)N(C)C ZINC001178886841 1068515906 /nfs/dbraw/zinc/51/59/06/1068515906.db2.gz LOOGQZDEHCXINC-IKGGRYGDSA-N 0 0 454.543 0.977 20 0 JCADRN CC(=O)N1CC2(C1)CN(C(=O)[C@@H]1C[C@H](F)CN(C(=O)OC(C)(C)C)C1)C[C@@H]2C(=O)N(C)C ZINC001178886842 1068515897 /nfs/dbraw/zinc/51/58/97/1068515897.db2.gz LOOGQZDEHCXINC-IXDOHACOSA-N 0 0 454.543 0.977 20 0 JCADRN CC(=O)N1CC2(C1)CN(C(=O)[C@@H]1C[C@@H](F)CN(C(=O)OC(C)(C)C)C1)C[C@H]2C(=O)N(C)C ZINC001178886845 1068515862 /nfs/dbraw/zinc/51/58/62/1068515862.db2.gz LOOGQZDEHCXINC-ZACQAIPSSA-N 0 0 454.543 0.977 20 0 JCADRN Cc1ccc(S(=O)(=O)NCc2ccccc2)cc1C(=O)N1CCN2CCOC[C@]2(CO)C1 ZINC001178893123 1068516166 /nfs/dbraw/zinc/51/61/66/1068516166.db2.gz FHPFMZUCAJGYTE-HSZRJFAPSA-N 0 0 459.568 0.993 20 0 JCADRN Cc1ccc(S(=O)(=O)NCc2ccccc2)cc1C(=O)N1CCN2CCOC[C@@]2(CO)C1 ZINC001178893124 1068516070 /nfs/dbraw/zinc/51/60/70/1068516070.db2.gz FHPFMZUCAJGYTE-QHCPKHFHSA-N 0 0 459.568 0.993 20 0 JCADRN COc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN4CCOC[C@@]4(CO)C3)CC2)cc1 ZINC001178893941 1068515777 /nfs/dbraw/zinc/51/57/77/1068515777.db2.gz PJCZYGAGWKGNRQ-NRFANRHFSA-N 0 0 453.561 0.001 20 0 JCADRN COc1ccc(S(=O)(=O)N2CCC(C(=O)N3CCN4CCOC[C@]4(CO)C3)CC2)cc1 ZINC001178893942 1068515849 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/nfs/dbraw/zinc/87/46/12/1068874612.db2.gz JAHJGYNVMSGLHT-MJGOQNOKSA-N 0 0 450.561 0.391 20 0 JCADRN Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@H]2C(=O)N(CCO)CC(F)(F)F)cc1 ZINC001183771572 1068874428 /nfs/dbraw/zinc/87/44/28/1068874428.db2.gz JNUDYEWZZYCLRH-HNNXBMFYSA-N 0 0 451.467 0.648 20 0 JCADRN Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@H]2C(=O)Nc2cccc(CC(N)=O)c2)cc1 ZINC001183771575 1068874438 /nfs/dbraw/zinc/87/44/38/1068874438.db2.gz JOLMHRXTGARYOA-IBGZPJMESA-N 0 0 458.540 0.931 20 0 JCADRN Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@H]2C(=O)N2CCC[C@H](n3cncn3)C2)cc1 ZINC001183771595 1068874657 /nfs/dbraw/zinc/87/46/57/1068874657.db2.gz KEHCIRZVULBQRN-HKUYNNGSSA-N 0 0 460.560 0.720 20 0 JCADRN Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@H]2C(=O)N2CCC[C@@H](n3cncn3)C2)cc1 ZINC001183771596 1068874453 /nfs/dbraw/zinc/87/44/53/1068874453.db2.gz KEHCIRZVULBQRN-MJGOQNOKSA-N 0 0 460.560 0.720 20 0 JCADRN Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@H]2C(=O)N2CC(N3C[C@@H](C)O[C@H](C)C3)C2)cc1 ZINC001183771718 1068874556 /nfs/dbraw/zinc/87/45/56/1068874556.db2.gz MBZMESRJWFSYRK-OPYAIIAOSA-N 0 0 478.615 0.584 20 0 JCADRN Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@H]2C(=O)N2CC(N3C[C@@H](C)O[C@@H](C)C3)C2)cc1 ZINC001183771720 1068874412 /nfs/dbraw/zinc/87/44/12/1068874412.db2.gz MBZMESRJWFSYRK-UEXGIBASSA-N 0 0 478.615 0.584 20 0 JCADRN Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@H]2C(=O)N2CC(N3C[C@H](C)O[C@@H](C)C3)C2)cc1 ZINC001183771723 1068874635 /nfs/dbraw/zinc/87/46/35/1068874635.db2.gz MBZMESRJWFSYRK-WFXMLNOXSA-N 0 0 478.615 0.584 20 0 JCADRN Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@H]2C(=O)N2CCC(c3nncn3C)CC2)cc1 ZINC001183771725 1068874529 /nfs/dbraw/zinc/87/45/29/1068874529.db2.gz MCMQCNGJHBMLPW-IBGZPJMESA-N 0 0 474.587 0.799 20 0 JCADRN CCOC(=O)[C@@H]1COCCN1C(=O)[C@@H]1CCCN1C(=O)CNS(=O)(=O)c1ccc(C)cc1 ZINC001183772065 1068874665 /nfs/dbraw/zinc/87/46/65/1068874665.db2.gz NVBBLYMOLQIZRX-ROUUACIJSA-N 0 0 467.544 0.055 20 0 JCADRN CCOC(=O)[C@H]1COCCN1C(=O)[C@@H]1CCCN1C(=O)CNS(=O)(=O)c1ccc(C)cc1 ZINC001183772066 1068874587 /nfs/dbraw/zinc/87/45/87/1068874587.db2.gz NVBBLYMOLQIZRX-ZWKOTPCHSA-N 0 0 467.544 0.055 20 0 JCADRN Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@H]2C(=O)N2CCN(c3ncc(O)cn3)CC2)cc1 ZINC001183772070 1068874571 /nfs/dbraw/zinc/87/45/71/1068874571.db2.gz NWRSQKCJWACEIO-IBGZPJMESA-N 0 0 488.570 0.109 20 0 JCADRN CCOC(=O)c1cc(NC(=O)[C@@H]2CCCN2C(=O)CNS(=O)(=O)c2ccc(C)cc2)n(C)n1 ZINC001183772087 1068874625 /nfs/dbraw/zinc/87/46/25/1068874625.db2.gz AHZUGDMBGGSRAV-KRWDZBQOSA-N 0 0 477.543 0.813 20 0 JCADRN CCOC(=O)[C@]12C[C@H]1CCN2C(=O)[C@@H]1CCCN1C(=O)CNS(=O)(=O)c1ccc(C)cc1 ZINC001183772088 1068874507 /nfs/dbraw/zinc/87/45/07/1068874507.db2.gz ALYFLTGMEDOZBP-NRJQMVOHSA-N 0 0 463.556 0.818 20 0 JCADRN CCOC(=O)[C@@]12C[C@@H]1CCN2C(=O)[C@@H]1CCCN1C(=O)CNS(=O)(=O)c1ccc(C)cc1 ZINC001183772092 1068875230 /nfs/dbraw/zinc/87/52/30/1068875230.db2.gz ALYFLTGMEDOZBP-SGXKBVARSA-N 0 0 463.556 0.818 20 0 JCADRN Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@H]2C(=O)N2CC(=O)NC3(CCCC3)C2)cc1 ZINC001183772100 1068875259 /nfs/dbraw/zinc/87/52/59/1068875259.db2.gz OMGQTTJWOGHHPA-SFHVURJKSA-N 0 0 462.572 0.536 20 0 JCADRN Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@H]2C(=O)Nc2ccc(N3CCNC(=O)C3)cc2)cc1 ZINC001183772106 1068875096 /nfs/dbraw/zinc/87/50/96/1068875096.db2.gz OUCAEOKSMZEZOP-NRFANRHFSA-N 0 0 499.593 0.839 20 0 JCADRN Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@H]2C(=O)N2CC3CC2(C(=O)N2CCCC2)C3)cc1 ZINC001183772107 1068875143 /nfs/dbraw/zinc/87/51/43/1068875143.db2.gz ATIMEFSICWBPMR-WLBKGHODSA-N 0 0 488.610 0.878 20 0 JCADRN Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@H]2C(=O)n2c(Cl)ncc(N)c2=N)cc1 ZINC001183772117 1068875245 /nfs/dbraw/zinc/87/52/45/1068875245.db2.gz AWYXCKTZSBDBRK-AWEZNQCLSA-N 0 0 452.924 0.516 20 0 JCADRN CCOC(=O)[C@@H]1CCN(C(=O)[C@@H]2CCCN2C(=O)CNS(=O)(=O)c2ccc(C)cc2)CCC1=O ZINC001183772144 1068875025 /nfs/dbraw/zinc/87/50/25/1068875025.db2.gz BKYNSLPLYFMCAU-MOPGFXCFSA-N 0 0 493.582 0.635 20 0 JCADRN CCOC(=O)[C@H]1CCN(C(=O)[C@@H]2CCCN2C(=O)CNS(=O)(=O)c2ccc(C)cc2)CCC1=O ZINC001183772146 1068875072 /nfs/dbraw/zinc/87/50/72/1068875072.db2.gz BKYNSLPLYFMCAU-OALUTQOASA-N 0 0 493.582 0.635 20 0 JCADRN Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@H]2C(=O)N(C)C2CCS(=O)(=O)CC2)cc1 ZINC001183772213 1068875013 /nfs/dbraw/zinc/87/50/13/1068875013.db2.gz RIAJLXSPATZAOK-SFHVURJKSA-N 0 0 471.601 0.300 20 0 JCADRN CCOC(=O)c1n[nH]cc1NC(=O)[C@@H]1CCCN1C(=O)CNS(=O)(=O)c1ccc(C)cc1 ZINC001183772225 1068875175 /nfs/dbraw/zinc/87/51/75/1068875175.db2.gz CPEPATKWLGAGDM-INIZCTEOSA-N 0 0 463.516 0.803 20 0 JCADRN CCOC(=O)c1ncncc1NC(=O)[C@@H]1CCCN1C(=O)CNS(=O)(=O)c1ccc(C)cc1 ZINC001183772316 1068875250 /nfs/dbraw/zinc/87/52/50/1068875250.db2.gz DNQYPXJLSXWNEM-KRWDZBQOSA-N 0 0 475.527 0.870 20 0 JCADRN Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@H]2C(=O)N2CCN(C(=O)C(F)(F)F)CC2)cc1 ZINC001183772331 1068875162 /nfs/dbraw/zinc/87/51/62/1068875162.db2.gz DRULHXSOJQQVLZ-INIZCTEOSA-N 0 0 490.504 0.497 20 0 JCADRN Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@H]2C(=O)N2C[C@@H](OCC3CC3)[C@H]3COC[C@H]32)cc1 ZINC001183772399 1068875239 /nfs/dbraw/zinc/87/52/39/1068875239.db2.gz FDINDJHQXVLMRG-FNAHDJPLSA-N 0 0 491.610 0.917 20 0 JCADRN Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@H]2C(=O)Nc2cc(C)nc3ncnn32)cc1 ZINC001183772432 1068875708 /nfs/dbraw/zinc/87/57/08/1068875708.db2.gz FVXZLGCTILQTIA-INIZCTEOSA-N 0 0 457.516 0.649 20 0 JCADRN COC(=O)[C@]1(F)CCN(C(=O)[C@@H]2CCCN2C(=O)CNS(=O)(=O)c2ccc(C)cc2)C1 ZINC001183772639 1068875754 /nfs/dbraw/zinc/87/57/54/1068875754.db2.gz GGVYMCYXWMSSJB-JXFKEZNVSA-N 0 0 455.508 0.378 20 0 JCADRN COC(=O)[C@@]1(F)CCN(C(=O)[C@@H]2CCCN2C(=O)CNS(=O)(=O)c2ccc(C)cc2)C1 ZINC001183772676 1068875724 /nfs/dbraw/zinc/87/57/24/1068875724.db2.gz GGVYMCYXWMSSJB-OXJNMPFZSA-N 0 0 455.508 0.378 20 0 JCADRN Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@H]2C(=O)N2CCC[C@](O)(CF)CC2)cc1 ZINC001183772690 1068875716 /nfs/dbraw/zinc/87/57/16/1068875716.db2.gz GKWJDQDBJDINTN-GHTZIAJQSA-N 0 0 455.552 0.977 20 0 JCADRN Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@H]2C(=O)N2CCC[C@@](O)(CF)CC2)cc1 ZINC001183772707 1068875579 /nfs/dbraw/zinc/87/55/79/1068875579.db2.gz GKWJDQDBJDINTN-RXVVDRJESA-N 0 0 455.552 0.977 20 0 JCADRN Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@H]2C(=O)N2CC[C@@H](N3CCOCC3)[C@@H](F)C2)cc1 ZINC001183772868 1068875673 /nfs/dbraw/zinc/87/56/73/1068875673.db2.gz SPMCIYKYKKYIFF-HBMCJLEFSA-N 0 0 496.605 0.536 20 0 JCADRN CNC(=O)c1cccnc1NC(=O)[C@@H]1CCCN1C(=O)CNS(=O)(=O)c1ccc(C)cc1 ZINC001183772881 1068875595 /nfs/dbraw/zinc/87/55/95/1068875595.db2.gz HFBIJDQQVRQGNL-KRWDZBQOSA-N 0 0 459.528 0.658 20 0 JCADRN CN=c1c(N)cc(Cl)nn1C(=O)[C@@H]1CCCN1C(=O)CNS(=O)(=O)c1ccc(C)cc1 ZINC001183772926 1068875746 /nfs/dbraw/zinc/87/57/46/1068875746.db2.gz HTEJZFHFWTXGNM-HNNXBMFYSA-N 0 0 466.951 0.567 20 0 JCADRN COC(=O)[C@@H]1C[C@H](F)CN1C(=O)[C@@H]1CCCN1C(=O)CNS(=O)(=O)c1ccc(C)cc1 ZINC001183772939 1068875538 /nfs/dbraw/zinc/87/55/38/1068875538.db2.gz IBNMWEGANHKMJZ-XIRDDKMYSA-N 0 0 455.508 0.376 20 0 JCADRN CCOC(=O)c1nc(NC(=O)[C@@H]2CCCN2C(=O)CNS(=O)(=O)c2ccc(C)cc2)c[nH]1 ZINC001183772941 1068875631 /nfs/dbraw/zinc/87/56/31/1068875631.db2.gz IDLSMUZKPDCUMB-HNNXBMFYSA-N 0 0 463.516 0.803 20 0 JCADRN Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@H]2C(=O)N2Cc3ccnn3CC[C@H]2CO)cc1 ZINC001183772946 1068875698 /nfs/dbraw/zinc/87/56/98/1068875698.db2.gz UPXWDDWWVAAWCQ-ICSRJNTNSA-N 0 0 475.571 0.254 20 0 JCADRN Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@H]2C(=O)N2Cc3ccnn3CC[C@@H]2CO)cc1 ZINC001183772948 1068875686 /nfs/dbraw/zinc/87/56/86/1068875686.db2.gz UPXWDDWWVAAWCQ-QUCCMNQESA-N 0 0 475.571 0.254 20 0 JCADRN Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@H]2C(=O)N(C[C@@H](O)CO)C(C)(C)C)cc1 ZINC001183772979 1068875739 /nfs/dbraw/zinc/87/57/39/1068875739.db2.gz IWZRALDIAQCBKM-AEFFLSMTSA-N 0 0 455.577 0.245 20 0 JCADRN Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@H]2C(=O)N2CC(N3CCOC(C)(C)C3)C2)cc1 ZINC001183772992 1068875663 /nfs/dbraw/zinc/87/56/63/1068875663.db2.gz WANOPOMOKVVRRC-FQEVSTJZSA-N 0 0 478.615 0.586 20 0 JCADRN Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@H]2C(=O)N2CCC(n3cnnc3)CC2)cc1 ZINC001183773006 1068875761 /nfs/dbraw/zinc/87/57/61/1068875761.db2.gz WJVWJBWCVMZLHU-IBGZPJMESA-N 0 0 460.560 0.720 20 0 JCADRN CCOC(=O)[C@@H]1CN(C(=O)[C@@H]2CCCN2C(=O)CNS(=O)(=O)c2ccc(C)cc2)CCO1 ZINC001183773235 1068875565 /nfs/dbraw/zinc/87/55/65/1068875565.db2.gz XCRLYFVITROKQE-ROUUACIJSA-N 0 0 467.544 0.055 20 0 JCADRN CCOC(=O)[C@H]1CN(C(=O)[C@@H]2CCCN2C(=O)CNS(=O)(=O)c2ccc(C)cc2)CCO1 ZINC001183773236 1068875733 /nfs/dbraw/zinc/87/57/33/1068875733.db2.gz XCRLYFVITROKQE-ZWKOTPCHSA-N 0 0 467.544 0.055 20 0 JCADRN Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@H]2C(=O)N2c3cccc(N)c3CS2(=O)=O)cc1 ZINC001183773243 1068876331 /nfs/dbraw/zinc/87/63/31/1068876331.db2.gz XIIBUTCRHCBBQK-IBGZPJMESA-N 0 0 492.579 0.723 20 0 JCADRN Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@H]2C(=O)N2CCc3ccc(=O)[nH]c3CC2)cc1 ZINC001183773258 1068876196 /nfs/dbraw/zinc/87/61/96/1068876196.db2.gz XRUWBWTZNGKLNT-FQEVSTJZSA-N 0 0 472.567 0.992 20 0 JCADRN Cc1ccc(S(=O)(=O)NCC(=O)N2CCC[C@H]2C(=O)N(c2cccc(N)c2)S(C)(=O)=O)cc1 ZINC001183773271 1068876450 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20 0 JCADRN O=C1CCC(S(=O)(=O)N2CCCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)CC1 ZINC001186151255 1069080167 /nfs/dbraw/zinc/08/01/67/1069080167.db2.gz VBZYWILJGNRWLL-UHFFFAOYSA-N 0 0 458.558 0.996 20 0 JCADRN CC(C)[C@@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)c1cccc([S-])c1)c(N)nc2=O ZINC001186156748 1069080300 /nfs/dbraw/zinc/08/03/00/1069080300.db2.gz PFRGNRLLKWBPTN-DZGCQCFKSA-N 0 0 490.542 0.014 20 0 JCADRN CC(C)[C@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)c1cccc([S-])c1)c(N)nc2=O ZINC001186156749 1069080325 /nfs/dbraw/zinc/08/03/25/1069080325.db2.gz PFRGNRLLKWBPTN-ZFWWWQNUSA-N 0 0 490.542 0.014 20 0 JCADRN COc1ccccc1CNC(=O)N[C@H]1[C@@H](O)[C@H](n2cnc3c2ncnc3N(C)C)O[C@@H]1CO ZINC001186157330 1069080161 /nfs/dbraw/zinc/08/01/61/1069080161.db2.gz LIYUIVKKSUJJIJ-MXHNKVEKSA-N 0 0 457.491 0.020 20 0 JCADRN Cn1ncc(S(=O)(=O)NCCC(=O)N2CCN(c3ccccn3)CC2)c1Br ZINC001186158489 1069081111 /nfs/dbraw/zinc/08/11/11/1069081111.db2.gz HNMVHDPNFVDWQE-UHFFFAOYSA-N 0 0 457.354 0.595 20 0 JCADRN CNS(=O)(=O)c1ccccc1S(=O)(=O)N1CCN(C(=O)Cc2ccccc2F)CC1 ZINC001186159292 1069081122 /nfs/dbraw/zinc/08/11/22/1069081122.db2.gz OELOXYCKSNJSJJ-UHFFFAOYSA-N 0 0 455.533 0.809 20 0 JCADRN Cn1cc(S(=O)(=O)NCCC(=O)N2CCN(c3ccccn3)CC2)c(Br)n1 ZINC001186160342 1069081117 /nfs/dbraw/zinc/08/11/17/1069081117.db2.gz XZYZDYMQNFWIOV-UHFFFAOYSA-N 0 0 457.354 0.595 20 0 JCADRN CN1CCN(CC[NH+](C)C)C(=O)C12CCN(S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1)CC2 ZINC001186163866 1069076955 /nfs/dbraw/zinc/07/69/55/1069076955.db2.gz PTZZLQMTTYMDQY-UHFFFAOYSA-N 0 0 456.540 0.383 20 0 JCADRN C[NH+]1CCN(C[C@H]2Cn3ccnc3CN(S(=O)(=O)c3ccc(F)c(C(=O)[O-])c3)C2)CC1 ZINC001186164061 1069077002 /nfs/dbraw/zinc/07/70/02/1069077002.db2.gz SQHWWQCAFKPRDH-HNNXBMFYSA-N 0 0 451.524 0.789 20 0 JCADRN C[NH+]1CCN(C[C@@H]2Cn3ccnc3CN(S(=O)(=O)c3ccc(F)c(C(=O)[O-])c3)C2)CC1 ZINC001186164062 1069077721 /nfs/dbraw/zinc/07/77/21/1069077721.db2.gz SQHWWQCAFKPRDH-OAHLLOKOSA-N 0 0 451.524 0.789 20 0 JCADRN CN(C)c1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](NC(=O)C[C@@H]2CCc3cc(F)ccc3C2)[C@H]1O ZINC001186166281 1069082956 /nfs/dbraw/zinc/08/29/56/1069082956.db2.gz SXDAZXLPZHEFGN-HRORDZLCSA-N 0 0 484.532 0.962 20 0 JCADRN CN(C)c1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](NC(=O)C[C@H]2CCc3cc(F)ccc3C2)[C@H]1O ZINC001186166283 1069082859 /nfs/dbraw/zinc/08/28/59/1069082859.db2.gz SXDAZXLPZHEFGN-PAANFUFISA-N 0 0 484.532 0.962 20 0 JCADRN CC(C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CCCC[NH3+])NC(=O)c1cccc([S-])c1)C(N)=O ZINC001186167546 1069082952 /nfs/dbraw/zinc/08/29/52/1069082952.db2.gz SFDPZPGTQMBHAU-FHWLQOOXSA-N 0 0 477.631 0.820 20 0 JCADRN CS(=O)(=O)N1CC[C@H](CS(=O)(=O)N[C@H](C(N)=O)c2cccc(Br)c2)C1 ZINC001186168108 1069082901 /nfs/dbraw/zinc/08/29/01/1069082901.db2.gz GLMCNEBDZGDJMF-GWCFXTLKSA-N 0 0 454.368 0.176 20 0 JCADRN CS(=O)(=O)N1CC[C@H](CS(=O)(=O)N[C@@H](C(N)=O)c2cccc(Br)c2)C1 ZINC001186168109 1069083693 /nfs/dbraw/zinc/08/36/93/1069083693.db2.gz GLMCNEBDZGDJMF-GXFFZTMASA-N 0 0 454.368 0.176 20 0 JCADRN CS(=O)(=O)N1CC[C@@H](CS(=O)(=O)N[C@H](C(N)=O)c2cccc(Br)c2)C1 ZINC001186168110 1069083635 /nfs/dbraw/zinc/08/36/35/1069083635.db2.gz GLMCNEBDZGDJMF-MFKMUULPSA-N 0 0 454.368 0.176 20 0 JCADRN CS(=O)(=O)N1CC[C@@H](CS(=O)(=O)N[C@@H](C(N)=O)c2cccc(Br)c2)C1 ZINC001186168111 1069083734 /nfs/dbraw/zinc/08/37/34/1069083734.db2.gz GLMCNEBDZGDJMF-ZWNOBZJWSA-N 0 0 454.368 0.176 20 0 JCADRN COc1ccccc1CNC(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(N)=O ZINC001186168276 1069083698 /nfs/dbraw/zinc/08/36/98/1069083698.db2.gz NCZYSYDSSULTQQ-IRXDYDNUSA-N 0 0 481.619 0.749 20 0 JCADRN COc1cccc(CNC(=O)Nc2nc(Cl)nc3c2ncn3[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)c1 ZINC001186174555 1069083678 /nfs/dbraw/zinc/08/36/78/1069083678.db2.gz DSGGTJLDGXRCJK-LSCFUAHRSA-N 0 0 464.866 0.422 20 0 JCADRN Cc1ccc2nc(-c3ccccc3)c(CC(=O)NCCO[C@@H]3O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]3O)n2c1 ZINC001186177839 1069081176 /nfs/dbraw/zinc/08/11/76/1069081176.db2.gz BCYIGWRMUHOTJL-FJRJVVQESA-N 0 0 455.511 0.813 20 0 JCADRN Cc1ccc2nc(-c3ccccc3)c(CC(=O)N[C@H]3[C@H](n4ccc(N)nc4=O)O[C@H](CO)[C@H]3O)n2c1 ZINC001186178369 1069081123 /nfs/dbraw/zinc/08/11/23/1069081123.db2.gz JFHAOPHYLOQBAX-SFUZCSOBSA-N 0 0 490.520 0.669 20 0 JCADRN COc1cccc(CNC(=O)N2C[C@@H]3c4nc(N5CCOCC5)ncc4CS(=O)(=O)[C@@H]3C2)c1 ZINC001186182027 1069082095 /nfs/dbraw/zinc/08/20/95/1069082095.db2.gz SHHPYTDHBMVYKS-RBUKOAKNSA-N 0 0 473.555 0.928 20 0 JCADRN COc1cccc(CNC(=O)N2CC[C@H]3N(S(C)(=O)=O)CC[C@@]3(C(=O)N3CCOCC3)CC2)c1 ZINC001186182718 1069082167 /nfs/dbraw/zinc/08/21/67/1069082167.db2.gz ZGCOCIMNQBJWSW-OFNKIYASSA-N 0 0 494.614 0.880 20 0 JCADRN CC(C)(C)OC(=O)N1CCCN([C@H](C(=O)N2CN[C@H](N)[C@H]3NCN[C@@H]32)c2cc3ccccc3o2)CC1 ZINC001186186422 1069082110 /nfs/dbraw/zinc/08/21/10/1069082110.db2.gz IHGHOUOJXNQVLJ-CLAROIROSA-N 0 0 499.616 0.936 20 0 JCADRN CC(C)(C)OC(=O)N1CCCN([C@H](C(=O)N2CN[C@H](N)[C@@H]3NCN[C@H]32)c2cc3ccccc3o2)CC1 ZINC001186186423 1069082175 /nfs/dbraw/zinc/08/21/75/1069082175.db2.gz IHGHOUOJXNQVLJ-CMOCDZPBSA-N 0 0 499.616 0.936 20 0 JCADRN CC(C)(C)OC(=O)N1CCCN([C@H](C(=O)N2CN[C@H](N)[C@H]3NCN[C@H]32)c2cc3ccccc3o2)CC1 ZINC001186186424 1069082118 /nfs/dbraw/zinc/08/21/18/1069082118.db2.gz IHGHOUOJXNQVLJ-MLNNCEHLSA-N 0 0 499.616 0.936 20 0 JCADRN CC(C)(C)OC(=O)N1CCCN([C@H](C(=O)N2CN[C@H](N)[C@@H]3NCN[C@@H]32)c2cc3ccccc3o2)CC1 ZINC001186186425 1069082147 /nfs/dbraw/zinc/08/21/47/1069082147.db2.gz IHGHOUOJXNQVLJ-MYGLTJDJSA-N 0 0 499.616 0.936 20 0 JCADRN CS(=O)(=O)Nc1ccc(S(=O)(=O)NCCNS(=O)(=O)c2ccccc2)cc1F ZINC001186186565 1069082125 /nfs/dbraw/zinc/08/21/25/1069082125.db2.gz RHVOHZDSSAXLPW-UHFFFAOYSA-N 0 0 451.523 0.454 20 0 JCADRN COc1cccc(CNC(=O)N2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@H]3C(=O)N2CCOCC2)c1 ZINC001186188335 1069082139 /nfs/dbraw/zinc/08/21/39/1069082139.db2.gz HTTYLNVKFCQUHL-GUDVDZBRSA-N 0 0 451.545 0.499 20 0 JCADRN COc1cccc(CNC(=O)N2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@@H]3C(=O)N2CCOCC2)c1 ZINC001186188337 1069082064 /nfs/dbraw/zinc/08/20/64/1069082064.db2.gz HTTYLNVKFCQUHL-IPMKNSEASA-N 0 0 451.545 0.499 20 0 JCADRN CC(C)(C)OC(=O)N1CCN([C@H](C(=O)N2CN[C@H](N)[C@H]3NCN[C@H]32)c2cc3ccccc3[nH]2)CC1 ZINC001186189253 1069082131 /nfs/dbraw/zinc/08/21/31/1069082131.db2.gz LMDDPNILDNVETH-ANULTFPQSA-N 0 0 484.605 0.281 20 0 JCADRN CC(C)(C)OC(=O)N1CCN([C@H](C(=O)N2CN[C@H](N)[C@H]3NCN[C@@H]32)c2cc3ccccc3[nH]2)CC1 ZINC001186189260 1069082071 /nfs/dbraw/zinc/08/20/71/1069082071.db2.gz LMDDPNILDNVETH-IVAOSVALSA-N 0 0 484.605 0.281 20 0 JCADRN CC(C)(C)OC(=O)N1CCN([C@H](C(=O)N2CN[C@H](N)[C@@H]3NCN[C@H]32)c2cc3ccccc3[nH]2)CC1 ZINC001186189262 1069082086 /nfs/dbraw/zinc/08/20/86/1069082086.db2.gz LMDDPNILDNVETH-TUFLPTIASA-N 0 0 484.605 0.281 20 0 JCADRN CC(C)(C)OC(=O)N1CCN([C@H](C(=O)N2CN[C@H](N)[C@@H]3NCN[C@@H]32)c2cc3ccccc3[nH]2)CC1 ZINC001186189265 1069082079 /nfs/dbraw/zinc/08/20/79/1069082079.db2.gz LMDDPNILDNVETH-XSDIEEQYSA-N 0 0 484.605 0.281 20 0 JCADRN CC(C)(C)OC(=O)N1CCN([C@H](C(=O)NC(CO)(CO)CO)c2cc3ccccc3[nH]2)CC1 ZINC001186190464 1069082184 /nfs/dbraw/zinc/08/21/84/1069082184.db2.gz QFMFJCBEBPLTCL-IBGZPJMESA-N 0 0 462.547 0.594 20 0 JCADRN CC(C)(C)OC(=O)N1CCN([C@@H](C(=O)NC(CO)(CO)CO)c2cc3ccccc3[nH]2)CC1 ZINC001186190469 1069082143 /nfs/dbraw/zinc/08/21/43/1069082143.db2.gz QFMFJCBEBPLTCL-LJQANCHMSA-N 0 0 462.547 0.594 20 0 JCADRN CC(C)(C)OC(=O)N1CCN([C@@H](C(=O)N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)c2cc3ccccc3[nH]2)CC1 ZINC001186191813 1069082163 /nfs/dbraw/zinc/08/21/63/1069082163.db2.gz WWXBHJGEYZWQCV-DOJYXZBASA-N 0 0 488.585 0.981 20 0 JCADRN CC(C)(C)OC(=O)N1CCN([C@H](C(=O)N[C@@H]2C[C@H](CO)[C@@H](O)[C@H]2O)c2cc3ccccc3[nH]2)CC1 ZINC001186191816 1069082059 /nfs/dbraw/zinc/08/20/59/1069082059.db2.gz WWXBHJGEYZWQCV-OSKXVONFSA-N 0 0 488.585 0.981 20 0 JCADRN CCOC(=O)c1[nH]c2ccc(Br)cc2c1/C=C/C(=O)N1CN[C@H](N)[C@H]2NCN[C@H]21 ZINC001186198045 1069082894 /nfs/dbraw/zinc/08/28/94/1069082894.db2.gz GHIBNFNQXQSZQO-HLAKTZFNSA-N 0 0 463.336 0.639 20 0 JCADRN CCOC(=O)c1[nH]c2ccc(Br)cc2c1/C=C/C(=O)N1CN[C@H](N)[C@H]2NCN[C@@H]21 ZINC001186198047 1069082890 /nfs/dbraw/zinc/08/28/90/1069082890.db2.gz GHIBNFNQXQSZQO-MBPBJGKSSA-N 0 0 463.336 0.639 20 0 JCADRN CCOC(=O)c1[nH]c2ccc(Br)cc2c1/C=C/C(=O)N1CN[C@H](N)[C@@H]2NCN[C@@H]21 ZINC001186198049 1069082863 /nfs/dbraw/zinc/08/28/63/1069082863.db2.gz GHIBNFNQXQSZQO-STCGUFCTSA-N 0 0 463.336 0.639 20 0 JCADRN CCOC(=O)c1[nH]c2ccc(Br)cc2c1/C=C/C(=O)N1CN[C@H](N)[C@@H]2NCN[C@H]21 ZINC001186198050 1069082927 /nfs/dbraw/zinc/08/29/27/1069082927.db2.gz GHIBNFNQXQSZQO-YVLKKCADSA-N 0 0 463.336 0.639 20 0 JCADRN CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)c1ccc(O)cc1C)C(N)=O ZINC001186202863 1069082916 /nfs/dbraw/zinc/08/29/16/1069082916.db2.gz YQHCQFPGFWCESC-IRXDYDNUSA-N 0 0 452.577 0.685 20 0 JCADRN Cc1cc(C(=O)CCC(=O)NCCO[C@@H]2O[C@@H](C)[C@@H](O)[C@@H](O)[C@@H]2O)c(C)cc1Br ZINC001186206467 1069085939 /nfs/dbraw/zinc/08/59/39/1069085939.db2.gz OOIQLUUUVLAFOV-NRPZXZCKSA-N 0 0 474.348 0.989 20 0 JCADRN COc1ccc(OC)c(OCCC(=O)N2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@H]3C(=O)N2CCOCC2)c1 ZINC001186211850 1069086737 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453.517 0.039 20 0 JCADRN CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCC(=O)Nc1cnn(CCN2CCOCC2)c1 ZINC001186572361 1069104787 /nfs/dbraw/zinc/10/47/87/1069104787.db2.gz PDVNHJVOUVCKRA-KRWDZBQOSA-N 0 0 450.540 0.670 20 0 JCADRN CC(C)C(=O)N1CCO[C@]2(C1)COCCN(C(=O)CNC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)C2 ZINC001186573781 1069104712 /nfs/dbraw/zinc/10/47/12/1069104712.db2.gz AKSBANOZCYRRNT-MHECFPHRSA-N 0 0 496.605 0.615 20 0 JCADRN CC(C)C(=O)N1CCO[C@@]2(C1)COCCN(C(=O)CNC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)C2 ZINC001186573787 1069104700 /nfs/dbraw/zinc/10/47/00/1069104700.db2.gz AKSBANOZCYRRNT-UUOWRZLLSA-N 0 0 496.605 0.615 20 0 JCADRN CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCCC[C@@H]1C(=O)N1CCOCC1 ZINC001186573805 1069104821 /nfs/dbraw/zinc/10/48/21/1069104821.db2.gz AQDNIHZHBIJIOH-DLBZAZTESA-N 0 0 452.552 0.742 20 0 JCADRN CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCCC[C@H]1C(=O)N1CCOCC1 ZINC001186573806 1069104897 /nfs/dbraw/zinc/10/48/97/1069104897.db2.gz AQDNIHZHBIJIOH-IRXDYDNUSA-N 0 0 452.552 0.742 20 0 JCADRN CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CC[C@H]2O[C@H](C(=O)NCC3CC3)C[C@H]21 ZINC001186573821 1069104812 /nfs/dbraw/zinc/10/48/12/1069104812.db2.gz BLRPJQDBQDOHDI-MLHJIOFPSA-N 0 0 464.563 0.787 20 0 JCADRN COCCNC(=O)[C@H]1Cn2nccc2CN(C(=O)CNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC001186573844 1069104747 /nfs/dbraw/zinc/10/47/47/1069104747.db2.gz CASJVDKBBJASHU-AEFFLSMTSA-N 0 0 492.577 0.120 20 0 JCADRN COCCNC(=O)[C@@H]1Cn2nccc2CN(C(=O)CNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)C1 ZINC001186573845 1069104755 /nfs/dbraw/zinc/10/47/55/1069104755.db2.gz CASJVDKBBJASHU-WMZOPIPTSA-N 0 0 492.577 0.120 20 0 JCADRN COC(=O)[C@@H]1CS[C@@H](C(=O)OC)N1C(=O)CNC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC001186573846 1069104713 /nfs/dbraw/zinc/10/47/13/1069104713.db2.gz CBFTVNOHIJWOLO-HUBLWGQQSA-N 0 0 459.521 0.118 20 0 JCADRN COC(=O)[C@@H]1CS[C@H](C(=O)OC)N1C(=O)CNC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC001186573847 1069104835 /nfs/dbraw/zinc/10/48/35/1069104835.db2.gz CBFTVNOHIJWOLO-SLEUVZQESA-N 0 0 459.521 0.118 20 0 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JCADRN CNC(=O)CN1CCOC[C@]2(CCCN(C(=O)CNC(=O)[C@@H]3CCCN3C(=O)OC(C)(C)C)C2)C1 ZINC001186573875 1069104729 /nfs/dbraw/zinc/10/47/29/1069104729.db2.gz DGIJJEYSYFPPAT-MHECFPHRSA-N 0 0 495.621 0.189 20 0 JCADRN CNC(=O)CN1CCOC[C@@]2(CCCN(C(=O)CNC(=O)[C@@H]3CCCN3C(=O)OC(C)(C)C)C2)C1 ZINC001186573876 1069104862 /nfs/dbraw/zinc/10/48/62/1069104862.db2.gz DGIJJEYSYFPPAT-UUOWRZLLSA-N 0 0 495.621 0.189 20 0 JCADRN CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCN(CC(=O)N2CCCC2)CC1 ZINC001186573877 1069104904 /nfs/dbraw/zinc/10/49/04/1069104904.db2.gz DHFVYCIOBAXRGQ-KRWDZBQOSA-N 0 0 451.568 0.269 20 0 JCADRN CCN1C[C@H]2CCN(C(=O)CNC(=O)[C@@H]3CCCN3C(=O)OC(C)(C)C)CC[C@H]2S1(=O)=O ZINC001186573887 1069104774 /nfs/dbraw/zinc/10/47/74/1069104774.db2.gz DQKXYZNCZFURPO-IXDOHACOSA-N 0 0 472.608 0.775 20 0 JCADRN CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CC[C@H]2O[C@@H](C(=O)N3CCCO3)CC[C@H]21 ZINC001186574133 1069104887 /nfs/dbraw/zinc/10/48/87/1069104887.db2.gz DWEQQVXBMVWWRA-XMTFNYHQSA-N 0 0 480.562 0.815 20 0 JCADRN CN(C)C(=O)CN1CC[C@@]2(CCCN(C(=O)CNC(=O)[C@@H]3CCCN3C(=O)OC(C)(C)C)C2)C1=O ZINC001186574164 1069105600 /nfs/dbraw/zinc/10/56/00/1069105600.db2.gz GGGTUUPLCQEXAJ-BXKMTCNYSA-N 0 0 493.605 0.431 20 0 JCADRN CN(C)C(=O)CN1CC[C@]2(CCCN(C(=O)CNC(=O)[C@@H]3CCCN3C(=O)OC(C)(C)C)C2)C1=O ZINC001186574165 1069105518 /nfs/dbraw/zinc/10/55/18/1069105518.db2.gz GGGTUUPLCQEXAJ-XDHUDOTRSA-N 0 0 493.605 0.431 20 0 JCADRN CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC(OCC(=O)NC2CC2)CC1 ZINC001186574174 1069105734 /nfs/dbraw/zinc/10/57/34/1069105734.db2.gz GSPSZILCFCGFPE-KRWDZBQOSA-N 0 0 452.552 0.788 20 0 JCADRN CC(=O)NCc1ncn2c1CN(C(=O)CNC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)CCC2 ZINC001186574178 1069105701 /nfs/dbraw/zinc/10/57/01/1069105701.db2.gz GYPLOVBFZRKJIN-KRWDZBQOSA-N 0 0 462.551 0.767 20 0 JCADRN Cn1cc(N2C[C@]3(CCN(C(=O)CNC(=O)[C@@H]4CCCN4C(=O)OC(C)(C)C)C3)CC2=O)cn1 ZINC001186574185 1069105742 /nfs/dbraw/zinc/10/57/42/1069105742.db2.gz HFMWFDRIIUKROS-GAJHUEQPSA-N 0 0 474.562 0.891 20 0 JCADRN Cn1cc(N2C[C@@]3(CCN(C(=O)CNC(=O)[C@@H]4CCCN4C(=O)OC(C)(C)C)C3)CC2=O)cn1 ZINC001186574186 1069105502 /nfs/dbraw/zinc/10/55/02/1069105502.db2.gz HFMWFDRIIUKROS-SBUREZEXSA-N 0 0 474.562 0.891 20 0 JCADRN COc1cc(OC)nc(CN2CCN(C(=O)CNC(=O)[C@@H]3CCCN3C(=O)OC(C)(C)C)CC2)n1 ZINC001186574210 1069105586 /nfs/dbraw/zinc/10/55/86/1069105586.db2.gz IMIOMEJJCUGOIF-INIZCTEOSA-N 0 0 492.577 0.654 20 0 JCADRN CN(C)S(=O)(=O)N1CC[C@@H]2CN(C(=O)CNC(=O)[C@@H]3CCCN3C(=O)OC(C)(C)C)C[C@H]2C1 ZINC001186574218 1069105658 /nfs/dbraw/zinc/10/56/58/1069105658.db2.gz ISESWJYABPFLQJ-IKGGRYGDSA-N 0 0 487.623 0.089 20 0 JCADRN CN(C)C(=O)N[C@@H]1CCO[C@]2(CCN(C(=O)CNC(=O)[C@@H]3CCCN3C(=O)OC(C)(C)C)C2)C1 ZINC001186574223 1069105666 /nfs/dbraw/zinc/10/56/66/1069105666.db2.gz IWKFCGQDVQYHRC-SAHWJRBASA-N 0 0 481.594 0.923 20 0 JCADRN CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCC(=O)N1Cc2[nH]nc(C(=O)N3CCOCC3)c2C1 ZINC001186574456 1069105618 /nfs/dbraw/zinc/10/56/18/1069105618.db2.gz JKYXOPVSVAOKLK-INIZCTEOSA-N 0 0 476.534 0.240 20 0 JCADRN CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCC(=O)N1C[C@@H](NC(=O)C2CCC2)[C@H]2COC[C@H]21 ZINC001186574462 1069105710 /nfs/dbraw/zinc/10/57/10/1069105710.db2.gz JTYZKXZONCIOMC-ZJPYXAASSA-N 0 0 464.563 0.644 20 0 JCADRN Cn1cc(C(=O)N2CC[C@@H]3[C@@H]2CCN3C(=O)CNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)cn1 ZINC001186574470 1069105634 /nfs/dbraw/zinc/10/56/34/1069105634.db2.gz KDGFHWSRNYRGIZ-SQNIBIBYSA-N 0 0 474.562 0.751 20 0 JCADRN CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCC(=O)N1Cc2ccnn2C[C@@H](C(=O)N2CCCC2)C1 ZINC001186574477 1069105754 /nfs/dbraw/zinc/10/57/54/1069105754.db2.gz KOAMERLMKRVAGE-HKUYNNGSSA-N 0 0 488.589 0.980 20 0 JCADRN CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCC(=O)N1Cc2ccnn2C[C@H](C(=O)N2CCCC2)C1 ZINC001186574478 1069105609 /nfs/dbraw/zinc/10/56/09/1069105609.db2.gz KOAMERLMKRVAGE-MJGOQNOKSA-N 0 0 488.589 0.980 20 0 JCADRN CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCC(=O)N1C[C@@H]2[C@H](C1)OCCN2c1ncccn1 ZINC001186574531 1069105720 /nfs/dbraw/zinc/10/57/20/1069105720.db2.gz MXZFVLJFYCRKFL-BBWFWOEESA-N 0 0 460.535 0.408 20 0 JCADRN Cc1ccc(N2CCO[C@H]3CN(C(=O)CNC(=O)[C@@H]4CCCN4C(=O)OC(C)(C)C)C[C@H]32)nn1 ZINC001186574536 1069106296 /nfs/dbraw/zinc/10/62/96/1069106296.db2.gz NBBPRHHCLFFEDA-KSZLIROESA-N 0 0 474.562 0.717 20 0 JCADRN Cn1cc(N2C[C@@H]3CN(C(=O)CNC(=O)[C@@H]4CCCN4C(=O)OC(C)(C)C)C[C@@H]3C2=O)cn1 ZINC001186574661 1069106269 /nfs/dbraw/zinc/10/62/69/1069106269.db2.gz ODYPLKIDMASUAO-XIRDDKMYSA-N 0 0 460.535 0.357 20 0 JCADRN CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCCn2c(Cn3cccn3)nnc2C1 ZINC001186574670 1069106125 /nfs/dbraw/zinc/10/61/25/1069106125.db2.gz OHTIDTBJOLTWFT-INIZCTEOSA-N 0 0 472.550 0.771 20 0 JCADRN Cn1cc(N2C(=O)C[C@@H]3[C@@H]2CCN3C(=O)CNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)cn1 ZINC001186574673 1069106203 /nfs/dbraw/zinc/10/62/03/1069106203.db2.gz OIHJYHZNEPPABG-YESZJQIVSA-N 0 0 460.535 0.642 20 0 JCADRN CN(C)C(=O)[C@@H]1CCO[C@@H]2CCN(C(=O)CNC(=O)[C@@H]3CCCN3C(=O)OC(C)(C)C)C[C@@H]21 ZINC001186574676 1069106257 /nfs/dbraw/zinc/10/62/57/1069106257.db2.gz OPFZGTPANBBTIS-ZJPYXAASSA-N 0 0 466.579 0.844 20 0 JCADRN CC(=O)N1CCC[C@@]2(C1)CN(C(=O)CNC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)CCO2 ZINC001186574677 1069106286 /nfs/dbraw/zinc/10/62/86/1069106286.db2.gz OPWTUKGAPXBQGS-HTAPYJJXSA-N 0 0 452.552 0.742 20 0 JCADRN CC(=O)N1CCC[C@]2(C1)CN(C(=O)CNC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)CCO2 ZINC001186574678 1069106192 /nfs/dbraw/zinc/10/61/92/1069106192.db2.gz OPWTUKGAPXBQGS-JTSKRJEESA-N 0 0 452.552 0.742 20 0 JCADRN CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCC(=O)N1C[C@@H]2COC[C@H](C(=O)N3CCCCO3)[C@@H]2C1 ZINC001186574681 1069106159 /nfs/dbraw/zinc/10/61/59/1069106159.db2.gz OSJIHBAXSKIYHR-YRXWBPOGSA-N 0 0 494.589 0.777 20 0 JCADRN COC(=O)[C@@]1(C)C[C@@H](N2CCOCC2)CCN1C(=O)CNC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC001186574686 1069106260 /nfs/dbraw/zinc/10/62/60/1069106260.db2.gz OVFHQFJUQDUNQC-LLJLJFOGSA-N 0 0 496.605 0.757 20 0 JCADRN COC(=O)[C@@]1(C)C[C@H](N2CCOCC2)CCN1C(=O)CNC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC001186574687 1069106243 /nfs/dbraw/zinc/10/62/43/1069106243.db2.gz OVFHQFJUQDUNQC-NXMSCROESA-N 0 0 496.605 0.757 20 0 JCADRN COC(=O)[C@]1(C)C[C@@H](N2CCOCC2)CCN1C(=O)CNC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC001186574688 1069106171 /nfs/dbraw/zinc/10/61/71/1069106171.db2.gz OVFHQFJUQDUNQC-XFAGBWLFSA-N 0 0 496.605 0.757 20 0 JCADRN COC(=O)[C@]1(C)C[C@H](N2CCOCC2)CCN1C(=O)CNC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC001186574689 1069106229 /nfs/dbraw/zinc/10/62/29/1069106229.db2.gz OVFHQFJUQDUNQC-YTZAWJCFSA-N 0 0 496.605 0.757 20 0 JCADRN Cn1cccc1C(=O)N[C@@H]1CN(C(=O)CNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)[C@@H]2COC[C@H]12 ZINC001186574693 1069106277 /nfs/dbraw/zinc/10/62/77/1069106277.db2.gz OYVIDNNWPHDSLQ-ZAWLATJESA-N 0 0 489.573 0.496 20 0 JCADRN CN(C)C(=O)COCc1noc2c1CN(C(=O)CNC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)CC2 ZINC001186574694 1069106318 /nfs/dbraw/zinc/10/63/18/1069106318.db2.gz PAETZAABMOPFBM-KRWDZBQOSA-N 0 0 493.561 0.680 20 0 JCADRN CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCN(CCCS(C)(=O)=O)CC1 ZINC001186574698 1069106211 /nfs/dbraw/zinc/10/62/11/1069106211.db2.gz PCPLXGUMYYCGED-INIZCTEOSA-N 0 0 460.597 0.081 20 0 JCADRN COCCN1CCO[C@H]2CN(C(=O)CNC(=O)[C@@H]3CCCN3C(=O)OC(C)(C)C)CC[C@H]2C1=O ZINC001186574709 1069106326 /nfs/dbraw/zinc/10/63/26/1069106326.db2.gz QECVMGDDLHJMQZ-SQNIBIBYSA-N 0 0 482.578 0.224 20 0 JCADRN CNC(=O)[C@@H]1CCO[C@@H]2CCN(C(=O)CNC(=O)[C@@H]3CCCN3C(=O)OC(C)(C)C)C[C@H]21 ZINC001186574726 1069106145 /nfs/dbraw/zinc/10/61/45/1069106145.db2.gz RCAZDXOGFDWGTA-LTIDMASMSA-N 0 0 452.552 0.502 20 0 JCADRN CCOC(=O)c1nc2n(n1)CCN(C(=O)CNC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)C2 ZINC001186574727 1069106872 /nfs/dbraw/zinc/10/68/72/1069106872.db2.gz RDFHRRGLEOFXJQ-ZDUSSCGKSA-N 0 0 450.496 0.313 20 0 JCADRN CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CC(N2CCN(c3ccccn3)CC2)C1 ZINC001186574729 1069106811 /nfs/dbraw/zinc/10/68/11/1069106811.db2.gz RFGZBQQYTPLZFZ-IBGZPJMESA-N 0 0 472.590 0.930 20 0 JCADRN CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCCn2c(=O)cc(Cn3ccnc3)nc2C1 ZINC001186574834 1069106827 /nfs/dbraw/zinc/10/68/27/1069106827.db2.gz SGRCWEDADQVKKP-SFHVURJKSA-N 0 0 499.572 0.736 20 0 JCADRN CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCC(=O)N1C[C@@H]2[C@H](C1)OCCN2c1cnccn1 ZINC001186574890 1069106743 /nfs/dbraw/zinc/10/67/43/1069106743.db2.gz ULCADMYOIZCSPQ-BBWFWOEESA-N 0 0 460.535 0.408 20 0 JCADRN CC(C)(C)OC(=O)N[C@@H]1CCN(C(=O)CNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)C[C@H]1O ZINC001186574900 1069106880 /nfs/dbraw/zinc/10/68/80/1069106880.db2.gz VBOCOATXGNNJSL-OWCLPIDISA-N 0 0 470.567 0.989 20 0 JCADRN CC(=O)N(C)Cc1nnc2n1CCCN(C(=O)CNC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)C2 ZINC001186574920 1069106762 /nfs/dbraw/zinc/10/67/62/1069106762.db2.gz VOKSEWGWPYJSLQ-INIZCTEOSA-N 0 0 477.566 0.504 20 0 JCADRN CNC(=O)CO[C@@H]1COC2(C1)CCN(C(=O)CNC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)CC2 ZINC001186574930 1069106921 /nfs/dbraw/zinc/10/69/21/1069106921.db2.gz VVSFGHGHNCCTER-IRXDYDNUSA-N 0 0 482.578 0.415 20 0 JCADRN CNC(=O)CO[C@H]1COC2(C1)CCN(C(=O)CNC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)CC2 ZINC001186574931 1069106991 /nfs/dbraw/zinc/10/69/91/1069106991.db2.gz VVSFGHGHNCCTER-SJORKVTESA-N 0 0 482.578 0.415 20 0 JCADRN CN(C)C(=O)NC[C@H]1OC[C@@H]2CCN(C(=O)CNC(=O)[C@@H]3CCCN3C(=O)OC(C)(C)C)C[C@@H]21 ZINC001186574963 1069106978 /nfs/dbraw/zinc/10/69/78/1069106978.db2.gz XSFIDCRFNCEESE-XLAORIBOSA-N 0 0 481.594 0.637 20 0 JCADRN CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC[C@@H]2CN(S(C)(=O)=O)C[C@@H]21 ZINC001186574991 1069106983 /nfs/dbraw/zinc/10/69/83/1069106983.db2.gz YHKXDWCNPOKTFK-PMPSAXMXSA-N 0 0 458.581 0.385 20 0 JCADRN CCOC(=O)c1cnc2n1CCN(C(=O)CNC(=O)[C@@H]1CCCN1C(=O)OC(C)(C)C)CC2 ZINC001186575000 1069106799 /nfs/dbraw/zinc/10/67/99/1069106799.db2.gz YYUGPVANSCVLQA-HNNXBMFYSA-N 0 0 463.535 0.960 20 0 JCADRN CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCCn2nnc(Cn3ccnc3)c2C1 ZINC001186575067 1069106851 /nfs/dbraw/zinc/10/68/51/1069106851.db2.gz ZYZPVVUBKZNPCR-KRWDZBQOSA-N 0 0 472.550 0.771 20 0 JCADRN COCCNC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(N)=O ZINC001186575130 1069106727 /nfs/dbraw/zinc/10/67/27/1069106727.db2.gz DBMUPKAPQQYVQD-BZSNNMDCSA-N 0 0 457.616 0.894 20 0 JCADRN CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC(N2CCCCS2(=O)=O)CC1 ZINC001186576315 1069106926 /nfs/dbraw/zinc/10/69/26/1069106926.db2.gz AVLODSMSRUZVFQ-KRWDZBQOSA-N 0 0 472.608 0.919 20 0 JCADRN CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CC[C@@H](NS(=O)(=O)c2ccccn2)C1 ZINC001186576414 1069106907 /nfs/dbraw/zinc/10/69/07/1069106907.db2.gz DXAJZMPSLHCMNK-CVEARBPZSA-N 0 0 481.575 0.477 20 0 JCADRN CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CC[C@H](NS(=O)(=O)c2ccccn2)C1 ZINC001186576415 1069106890 /nfs/dbraw/zinc/10/68/90/1069106890.db2.gz DXAJZMPSLHCMNK-HOTGVXAUSA-N 0 0 481.575 0.477 20 0 JCADRN CC(C)(C)OC(=O)N1CCC[C@H]1C(=O)NCC(=O)N1CCC(NC(=O)N2CCOCC2)CC1 ZINC001186576948 1069106958 /nfs/dbraw/zinc/10/69/58/1069106958.db2.gz OHAHHLWFMATDEO-KRWDZBQOSA-N 0 0 467.567 0.535 20 0 JCADRN CNS(=O)(=O)c1ccc(O)c(NC(=O)CNC(=O)[C@@H]2CCCN2C(=O)OC(C)(C)C)c1 ZINC001186577474 1069106938 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/nfs/dbraw/zinc/53/21/49/1069532149.db2.gz BWDWCNAIDBMGRA-MOPGFXCFSA-N 0 0 453.561 0.204 20 0 JCADRN O=C(CN1CCOC[C@H]1[C@@H]1CCCO1)NCc1ccccc1S(=O)(=O)N1CCOCC1 ZINC001194220163 1069532261 /nfs/dbraw/zinc/53/22/61/1069532261.db2.gz BWDWCNAIDBMGRA-OALUTQOASA-N 0 0 453.561 0.204 20 0 JCADRN O=C(CN1CCOC[C@H]1[C@H]1CCCO1)NCc1ccccc1S(=O)(=O)N1CCOCC1 ZINC001194220165 1069532067 /nfs/dbraw/zinc/53/20/67/1069532067.db2.gz BWDWCNAIDBMGRA-RBUKOAKNSA-N 0 0 453.561 0.204 20 0 JCADRN O=C(CN1CCOC[C@@H]1[C@H]1CCCO1)NCc1ccccc1S(=O)(=O)N1CCOCC1 ZINC001194220167 1069532026 /nfs/dbraw/zinc/53/20/26/1069532026.db2.gz BWDWCNAIDBMGRA-RTBURBONSA-N 0 0 453.561 0.204 20 0 JCADRN O=C(Nc1ncnc2c1nc(Br)n2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O)Oc1ccccc1 ZINC001194220270 1069532055 /nfs/dbraw/zinc/53/20/55/1069532055.db2.gz BLHNSBAGMWSFRT-SDBHATRESA-N 0 0 466.248 0.811 20 0 JCADRN CCN(C(=O)CN1CCOC[C@@H]1[C@@H]1CCCO1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC001194221477 1069532159 /nfs/dbraw/zinc/53/21/59/1069532159.db2.gz KVVNUVQOEIRSEQ-MSOLQXFVSA-N 0 0 457.531 0.812 20 0 JCADRN CCN(C(=O)CN1CCOC[C@@H]1[C@H]1CCCO1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC001194221479 1069532136 /nfs/dbraw/zinc/53/21/36/1069532136.db2.gz KVVNUVQOEIRSEQ-QZTJIDSGSA-N 0 0 457.531 0.812 20 0 JCADRN CCN(C(=O)CN1CCOC[C@H]1[C@@H]1CCCO1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC001194221480 1069532183 /nfs/dbraw/zinc/53/21/83/1069532183.db2.gz KVVNUVQOEIRSEQ-ROUUACIJSA-N 0 0 457.531 0.812 20 0 JCADRN CCN(C(=O)CN1CCOC[C@H]1[C@H]1CCCO1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC001194221481 1069532124 /nfs/dbraw/zinc/53/21/24/1069532124.db2.gz KVVNUVQOEIRSEQ-ZWKOTPCHSA-N 0 0 457.531 0.812 20 0 JCADRN COc1ccc(C(=O)N2CCc3onc(COCC(=O)N(C)C)c3C2)cc1S(C)(=O)=O ZINC001194221764 1069532094 /nfs/dbraw/zinc/53/20/94/1069532094.db2.gz AQVUHUJZRZYLBB-UHFFFAOYSA-N 0 0 451.501 0.890 20 0 JCADRN Cn1c(=O)c(C(=O)CN2CC[C@H](C(F)(F)F)[C@@H](CO)C2)c(N)n(Cc2ccccc2)c1=O ZINC001194221850 1069532171 /nfs/dbraw/zinc/53/21/71/1069532171.db2.gz NVSBBJFGWCVHOH-CABCVRRESA-N 0 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COC[C@H]1Cn2nnc(-c3cnn(C)c3)c2CN1C(=O)c1ccc(OC)c(S(C)(=O)=O)c1 ZINC001194221940 1069532569 /nfs/dbraw/zinc/53/25/69/1069532569.db2.gz BUDRYUGVLHTLQX-OAHLLOKOSA-N 0 0 460.516 0.762 20 0 JCADRN COc1ccc(C(=O)N2C[C@H](NC(=O)c3nccn3C)[C@H]3OCCC[C@H]32)cc1S(C)(=O)=O ZINC001194222010 1069532701 /nfs/dbraw/zinc/53/27/01/1069532701.db2.gz DBIVBLUBRXUUTD-HDMKZQKVSA-N 0 0 462.528 0.634 20 0 JCADRN COc1ccc(C(=O)N2Cc3nccn3C[C@H](CNC(=O)c3ccnnc3)C2)cc1S(C)(=O)=O ZINC001194222013 1069532587 /nfs/dbraw/zinc/53/25/87/1069532587.db2.gz DDGLZZGTJIBKIK-HNNXBMFYSA-N 0 0 484.538 0.787 20 0 JCADRN COc1ccc(C(=O)N2Cc3nccn3C[C@@H](CNC(=O)c3ccnnc3)C2)cc1S(C)(=O)=O ZINC001194222014 1069532668 /nfs/dbraw/zinc/53/26/68/1069532668.db2.gz DDGLZZGTJIBKIK-OAHLLOKOSA-N 0 0 484.538 0.787 20 0 JCADRN COc1ccc(C(=O)N2C[C@@H]3COC[C@@H](CC(=O)N4CCOCC4)[C@@H]3C2)cc1S(C)(=O)=O ZINC001194222019 1069532626 /nfs/dbraw/zinc/53/26/26/1069532626.db2.gz DISJVPVOHQJPKO-KURKYZTESA-N 0 0 466.556 0.682 20 0 JCADRN COc1ccc(C(=O)N2C[C@@H]3COC[C@H](C(=O)N4CCCCO4)[C@@H]3C2)cc1S(C)(=O)=O ZINC001194222113 1069532687 /nfs/dbraw/zinc/53/26/87/1069532687.db2.gz DUJDRIPDMFZRJT-ZACQAIPSSA-N 0 0 452.529 0.987 20 0 JCADRN COc1ccc(C(=O)N2CCc3ncc(CNC(=O)c4nccn4C)n3CC2)cc1S(C)(=O)=O ZINC001194222130 1069532676 /nfs/dbraw/zinc/53/26/76/1069532676.db2.gz FBIQAQFQNUVQAP-UHFFFAOYSA-N 0 0 486.554 0.657 20 0 JCADRN CNC(=O)CN1CCOC[C@@]2(CCCN(C(=O)c3ccc(OC)c(S(C)(=O)=O)c3)C2)C1 ZINC001194222149 1069532616 /nfs/dbraw/zinc/53/26/16/1069532616.db2.gz FHELQNAPXNPVDC-NRFANRHFSA-N 0 0 453.561 0.399 20 0 JCADRN CNC(=O)CN1CCOC[C@]2(CCCN(C(=O)c3ccc(OC)c(S(C)(=O)=O)c3)C2)C1 ZINC001194222150 1069532608 /nfs/dbraw/zinc/53/26/08/1069532608.db2.gz FHELQNAPXNPVDC-OAQYLSRUSA-N 0 0 453.561 0.399 20 0 JCADRN COc1ccc(C(=O)N2CCc3ccc(=O)n(CC(=O)N(C)C)c3CC2)cc1S(C)(=O)=O ZINC001194222297 1069532599 /nfs/dbraw/zinc/53/25/99/1069532599.db2.gz GXXRVDVLIDIAGV-UHFFFAOYSA-N 0 0 461.540 0.590 20 0 JCADRN COc1ccc(C(=O)N2CCC[C@]3(CCN(CC(=O)N(C)C)C3=O)C2)cc1S(C)(=O)=O ZINC001194222438 1069532636 /nfs/dbraw/zinc/53/26/36/1069532636.db2.gz IHZZVVKZXAUFQU-NRFANRHFSA-N 0 0 451.545 0.642 20 0 JCADRN COc1ccc(C(=O)N2CCC[C@@]3(CCN(CC(=O)N(C)C)C3=O)C2)cc1S(C)(=O)=O ZINC001194222440 1069532695 /nfs/dbraw/zinc/53/26/95/1069532695.db2.gz IHZZVVKZXAUFQU-OAQYLSRUSA-N 0 0 451.545 0.642 20 0 JCADRN COc1ccc(C(=O)N2Cc3ncn(C)c3[C@@H](COCCN3CCOCC3)C2)cc1S(C)(=O)=O ZINC001194222466 1069532723 /nfs/dbraw/zinc/53/27/23/1069532723.db2.gz IOHCAZHEXYBZPD-GOSISDBHSA-N 0 0 492.598 0.921 20 0 JCADRN COc1ccc(C(=O)N2Cc3ncn(C)c3[C@H](COCCN3CCOCC3)C2)cc1S(C)(=O)=O ZINC001194222469 1069532532 /nfs/dbraw/zinc/53/25/32/1069532532.db2.gz IOHCAZHEXYBZPD-SFHVURJKSA-N 0 0 492.598 0.921 20 0 JCADRN COc1ccc(C(=O)N2C[C@@H]3COC[C@H](C(=O)Nc4cnccn4)[C@@H]3C2)cc1S(C)(=O)=O ZINC001194222477 1069532990 /nfs/dbraw/zinc/53/29/90/1069532990.db2.gz ISGJHTDZXUOYNS-OAGGEKHMSA-N 0 0 460.512 0.862 20 0 JCADRN COc1ccc(C(=O)N2CC[C@H]3[C@H](CO[C@@H]3CNC(=O)c3cnn(C)c3)C2)cc1S(C)(=O)=O ZINC001194222478 1069533069 /nfs/dbraw/zinc/53/30/69/1069533069.db2.gz ISNRWPMUYWGREU-JENIJYKNSA-N 0 0 476.555 0.739 20 0 JCADRN COc1ccc(C(=O)N2CCn3c(CNC(=O)c4ccno4)cnc3C2)cc1S(C)(=O)=O ZINC001194222501 1069533053 /nfs/dbraw/zinc/53/30/53/1069533053.db2.gz IXHAGIUNUXXBJV-UHFFFAOYSA-N 0 0 459.484 0.869 20 0 JCADRN COc1ccc(C(=O)N2CC[C@H]3O[C@@H](COCC(=O)N(C)C)CC[C@H]32)cc1S(C)(=O)=O ZINC001194222519 1069533007 /nfs/dbraw/zinc/53/30/07/1069533007.db2.gz JDOUKFXSHMGSLM-BRWVUGGUSA-N 0 0 454.545 0.966 20 0 JCADRN COc1ccc(C(=O)N2C[C@@H]3COC[C@]3(COCC(=O)N3CCCC3)C2)cc1S(C)(=O)=O ZINC001194222607 1069533082 /nfs/dbraw/zinc/53/30/82/1069533082.db2.gz KAXNQOXUADPDKJ-VGSWGCGISA-N 0 0 466.556 0.826 20 0 JCADRN COc1ccc(C(=O)N2CCC3(C[C@H](C(=O)N4CCOCC4)CO3)CC2)cc1S(C)(=O)=O ZINC001194222762 1069533217 /nfs/dbraw/zinc/53/32/17/1069533217.db2.gz MDVFJQIQDNJXDC-KRWDZBQOSA-N 0 0 466.556 0.969 20 0 JCADRN COc1ccc(C(=O)N2CCC3(C[C@@H](C(=O)N4CCOCC4)CO3)CC2)cc1S(C)(=O)=O ZINC001194222763 1069532979 /nfs/dbraw/zinc/53/29/79/1069532979.db2.gz MDVFJQIQDNJXDC-QGZVFWFLSA-N 0 0 466.556 0.969 20 0 JCADRN COC(=O)[C@@]1(C)C[C@@H](N2CCOCC2)CCN1C(=O)c1ccc(OC)c(S(C)(=O)=O)c1 ZINC001194222788 1069533183 /nfs/dbraw/zinc/53/31/83/1069533183.db2.gz MTIDQCLJONVQQI-HRAATJIYSA-N 0 0 454.545 0.967 20 0 JCADRN COC(=O)[C@]1(C)C[C@H](N2CCOCC2)CCN1C(=O)c1ccc(OC)c(S(C)(=O)=O)c1 ZINC001194222789 1069533028 /nfs/dbraw/zinc/53/30/28/1069533028.db2.gz MTIDQCLJONVQQI-IERDGZPVSA-N 0 0 454.545 0.967 20 0 JCADRN COC(=O)[C@@]1(C)C[C@H](N2CCOCC2)CCN1C(=O)c1ccc(OC)c(S(C)(=O)=O)c1 ZINC001194222790 1069533227 /nfs/dbraw/zinc/53/32/27/1069533227.db2.gz MTIDQCLJONVQQI-IIBYNOLFSA-N 0 0 454.545 0.967 20 0 JCADRN COC(=O)[C@]1(C)C[C@@H](N2CCOCC2)CCN1C(=O)c1ccc(OC)c(S(C)(=O)=O)c1 ZINC001194222792 1069533039 /nfs/dbraw/zinc/53/30/39/1069533039.db2.gz MTIDQCLJONVQQI-KKSFZXQISA-N 0 0 454.545 0.967 20 0 JCADRN COc1ccc(C(=O)N2CCO[C@]3(C2)COCCN(c2ncccn2)C3)cc1S(C)(=O)=O ZINC001194222820 1069533099 /nfs/dbraw/zinc/53/30/99/1069533099.db2.gz NFFUMTRKXHREPO-NRFANRHFSA-N 0 0 462.528 0.637 20 0 JCADRN COc1ccc(C(=O)N2CCO[C@@]3(C2)COCCN(c2ncccn2)C3)cc1S(C)(=O)=O ZINC001194222822 1069533192 /nfs/dbraw/zinc/53/31/92/1069533192.db2.gz NFFUMTRKXHREPO-OAQYLSRUSA-N 0 0 462.528 0.637 20 0 JCADRN COc1ccc(C(=O)N2CCOC[C@]3(CN(C(=O)C(C)C)CCO3)C2)cc1S(C)(=O)=O ZINC001194222928 1069533130 /nfs/dbraw/zinc/53/31/30/1069533130.db2.gz OQNJFIVYKYUSSQ-NRFANRHFSA-N 0 0 454.545 0.825 20 0 JCADRN COc1ccc(C(=O)N2CCOC[C@@]3(CN(C(=O)C(C)C)CCO3)C2)cc1S(C)(=O)=O ZINC001194222929 1069533165 /nfs/dbraw/zinc/53/31/65/1069533165.db2.gz OQNJFIVYKYUSSQ-OAQYLSRUSA-N 0 0 454.545 0.825 20 0 JCADRN COc1ccc(C(=O)N2CCC3(CC2)CN(c2cncnc2)C(=O)CO3)cc1S(C)(=O)=O ZINC001194222944 1069533154 /nfs/dbraw/zinc/53/31/54/1069533154.db2.gz PMKCALMUWBIHAR-UHFFFAOYSA-N 0 0 460.512 0.927 20 0 JCADRN 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/nfs/dbraw/zinc/56/68/38/1069566838.db2.gz GEZHUEYVYFRFOE-BMGDILEWSA-N 0 0 470.438 0.777 20 0 JCADRN O=C(Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@H]2O)cc1)c1ncnc(Cl)c1Cl ZINC001195032383 1069567231 /nfs/dbraw/zinc/56/72/31/1069567231.db2.gz WZIRYEHRWUJJAL-FYQUTFIPSA-N 0 0 462.311 0.928 20 0 JCADRN O=C(Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)cc1)c1ncnc(Cl)c1Cl ZINC001195032384 1069567270 /nfs/dbraw/zinc/56/72/70/1069567270.db2.gz WZIRYEHRWUJJAL-GSMBYAGUSA-N 0 0 462.311 0.928 20 0 JCADRN O=C(Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@@H]2O)cc1)c1ncnc(Cl)c1Cl ZINC001195032385 1069567203 /nfs/dbraw/zinc/56/72/03/1069567203.db2.gz WZIRYEHRWUJJAL-IKAJCSKESA-N 0 0 462.311 0.928 20 0 JCADRN O=C(Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1)c1ncnc(Cl)c1Cl ZINC001195032387 1069567251 /nfs/dbraw/zinc/56/72/51/1069567251.db2.gz WZIRYEHRWUJJAL-OMWBYMHYSA-N 0 0 462.311 0.928 20 0 JCADRN Cc1ccc(S(=O)(=O)N2CCCCC2)cc1S(=O)(=O)N[C@H]1CS(=O)(=O)C[C@H]1C ZINC001195033228 1069567259 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0.212 20 0 JCADRN COC(=O)c1cccc(S(=O)(=O)N2CCC(O)(COCCO)CC2)c1Br ZINC001195034399 1069567234 /nfs/dbraw/zinc/56/72/34/1069567234.db2.gz YZSPOHPNKDTOEK-UHFFFAOYSA-N 0 0 452.323 0.760 20 0 JCADRN CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)c1ncnc(Cl)c1Cl)C(N)=O ZINC001195035190 1069567124 /nfs/dbraw/zinc/56/71/24/1069567124.db2.gz ZDFMEUNLXJRIJB-QWRGUYRKSA-N 0 0 493.417 0.767 20 0 JCADRN COc1nc(C(=O)N2CCn3c(COCC(=O)N(C)C)nnc3C2)ccc1Br ZINC001195038493 1069567272 /nfs/dbraw/zinc/56/72/72/1069567272.db2.gz AQSKCQVAFONSQG-UHFFFAOYSA-N 0 0 453.297 0.705 20 0 JCADRN COc1nc(C(=O)Nc2ccnc3c(N(CCO)CCO)cnn32)ccc1Br ZINC001195038920 1069567237 /nfs/dbraw/zinc/56/72/37/1069567237.db2.gz ODWAUDBEZBYDFB-UHFFFAOYSA-N 0 0 451.281 0.939 20 0 JCADRN COC(=O)c1cc(-c2ccc(C(=O)N[C@@H](Cc3c[nH]cn3)C(=O)N3CCC[C@H]3C(N)=O)cc2)on1 ZINC001195039894 1069567160 /nfs/dbraw/zinc/56/71/60/1069567160.db2.gz MOCMBFBXFJANQY-WMZOPIPTSA-N 0 0 480.481 0.669 20 0 JCADRN 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/nfs/dbraw/zinc/64/27/31/1069642731.db2.gz PSHQEDYHUYNOJI-IBGZPJMESA-N 0 0 452.511 0.486 20 0 JCADRN CC(=O)N1CC2(C1)CN(C(=O)c1cccc(=O)n1OCc1ccccc1)C[C@@H]2C(=O)N(C)C ZINC001196458853 1069642885 /nfs/dbraw/zinc/64/28/85/1069642885.db2.gz PSHQEDYHUYNOJI-LJQANCHMSA-N 0 0 452.511 0.486 20 0 JCADRN COCCO[C@@H]1[C@H](O)[C@@H](CO)O[C@H]1n1cnc2c1ncnc2NC(=S)NCc1ccc(F)cc1 ZINC001196459442 1069642810 /nfs/dbraw/zinc/64/28/10/1069642810.db2.gz UPKDCTQNJOQJHM-WVSUBDOOSA-N 0 0 492.533 0.734 20 0 JCADRN OC[C@H]1O[C@@H](n2cnc3c2nc(F)nc3NC(=S)NCc2ccc(F)cc2)[C@H](O)[C@@H]1O ZINC001196460325 1069642861 /nfs/dbraw/zinc/64/28/61/1069642861.db2.gz KJDRIXWJQJDJJE-XNIJJKJLSA-N 0 0 452.443 0.203 20 0 JCADRN OC[C@H]1O[C@@H](n2cnc3c2nc(F)nc3NC(=S)NCc2ccc(F)cc2)[C@@H](O)[C@@H]1O ZINC001196460326 1069642876 /nfs/dbraw/zinc/64/28/76/1069642876.db2.gz KJDRIXWJQJDJJE-YGSHXTJESA-N 0 0 452.443 0.203 20 0 JCADRN OC[C@H]1O[C@@H](n2cnc3c2nc(Cl)nc3NC(=S)NCc2ccc(F)cc2)[C@H](O)[C@@H]1O ZINC001196461043 1069642737 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/nfs/dbraw/zinc/64/20/85/1069642085.db2.gz KGBBRJHJSJDJHI-SJORKVTESA-N 0 0 454.549 0.853 20 0 JCADRN O=C([C@@H]1CCS(=O)(=O)[C@@H]2CN(C(=S)NCc3ccc(F)cc3)C[C@@H]21)N1CCOCC1 ZINC001196474206 1069642054 /nfs/dbraw/zinc/64/20/54/1069642054.db2.gz YJZRXEGZBZVMQN-KZNAEPCWSA-N 0 0 455.577 0.794 20 0 JCADRN O=C([C@H]1CCS(=O)(=O)[C@@H]2CN(C(=S)NCc3ccc(F)cc3)C[C@@H]21)N1CCOCC1 ZINC001196474209 1069642076 /nfs/dbraw/zinc/64/20/76/1069642076.db2.gz YJZRXEGZBZVMQN-RCCFBDPRSA-N 0 0 455.577 0.794 20 0 JCADRN CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=S)NCc1ccc(F)cc1)C(=O)NCC(N)=O ZINC001196479496 1069642193 /nfs/dbraw/zinc/64/21/93/1069642193.db2.gz GNPIUENHNWFSSE-IRXDYDNUSA-N 0 0 451.568 0.797 20 0 JCADRN NC(=O)c1cc(I)cnc1NC(=O)c1nc(Br)c[nH]c1=O ZINC001196491098 1069645036 /nfs/dbraw/zinc/64/50/36/1069645036.db2.gz GBROJTLPRHRKAC-UHFFFAOYSA-N 0 0 464.017 0.883 20 0 JCADRN N=c1nc2ncc(-c3cccc(O)c3)nc2c(N)n1C(=O)c1nc(Br)c[nH]c1=O ZINC001196491468 1069645136 /nfs/dbraw/zinc/64/51/36/1069645136.db2.gz NLRNCMQGHISQRX-UHFFFAOYSA-N 0 0 455.232 0.795 20 0 JCADRN Cn1cnc2c1[C@@H](COCCN1CCOCC1)CN(C(=O)c1nc(Br)c[nH]c1=O)C2 ZINC001196492902 1069645075 /nfs/dbraw/zinc/64/50/75/1069645075.db2.gz GBORYAUNGGEEHB-CYBMUJFWSA-N 0 0 481.351 0.354 20 0 JCADRN Cn1cnc2c1[C@H](COCCN1CCOCC1)CN(C(=O)c1nc(Br)c[nH]c1=O)C2 ZINC001196492903 1069645124 /nfs/dbraw/zinc/64/51/24/1069645124.db2.gz GBORYAUNGGEEHB-ZDUSSCGKSA-N 0 0 481.351 0.354 20 0 JCADRN Cn1cccc1C(=O)N[C@H]1CN(C(=O)c2nc(Br)c[nH]c2=O)[C@@H]2CCCO[C@@H]21 ZINC001196492924 1069644992 /nfs/dbraw/zinc/64/49/92/1069644992.db2.gz GMNHGXMJPXGDLQ-FIXISWKDSA-N 0 0 450.293 0.673 20 0 JCADRN CC(C)(C)OC(=O)N1CC2(C1)CN(C(=O)c1nc(Br)c[nH]c1=O)C[C@]21CCNC1=O ZINC001196492927 1069644931 /nfs/dbraw/zinc/64/49/31/1069644931.db2.gz GQDNZJNLVQXLFT-IBGZPJMESA-N 0 0 482.335 0.732 20 0 JCADRN CC(C)(C)OC(=O)N1CC2(C1)CN(C(=O)c1nc(Br)c[nH]c1=O)C[C@@]21CCNC1=O ZINC001196492928 1069645109 /nfs/dbraw/zinc/64/51/09/1069645109.db2.gz GQDNZJNLVQXLFT-LJQANCHMSA-N 0 0 482.335 0.732 20 0 JCADRN O=C(NCc1ccccn1)[C@@]12CCO[C@@H]1CCN(C(=O)c1nc(Br)c[nH]c1=O)C2 ZINC001196492941 1069645090 /nfs/dbraw/zinc/64/50/90/1069645090.db2.gz HAVFPNYEBGXXTC-BFUOFWGJSA-N 0 0 462.304 0.865 20 0 JCADRN C[C@H]1N(c2cnn(C)c2)C(=O)COC12CCN(C(=O)c1nc(Br)c[nH]c1=O)CC2 ZINC001196492966 1069645116 /nfs/dbraw/zinc/64/51/16/1069645116.db2.gz HPGJYJQQCUTYEU-LLVKDONJSA-N 0 0 465.308 0.693 20 0 JCADRN C[C@@H]1N(c2cnn(C)c2)C(=O)COC12CCN(C(=O)c1nc(Br)c[nH]c1=O)CC2 ZINC001196492967 1069644945 /nfs/dbraw/zinc/64/49/45/1069644945.db2.gz HPGJYJQQCUTYEU-NSHDSACASA-N 0 0 465.308 0.693 20 0 JCADRN O=C(NCc1cc(=O)n2c(n1)CN(C(=O)c1nc(Br)c[nH]c1=O)CCC2)c1ccco1 ZINC001196492982 1069645148 /nfs/dbraw/zinc/64/51/48/1069645148.db2.gz ICHIXFUTBGLONI-UHFFFAOYSA-N 0 0 489.286 0.658 20 0 JCADRN O=C(c1nc(Br)c[nH]c1=O)N1C[C@@H]2COC[C@H](C(=O)N3CCC(F)CC3)[C@@H]2C1 ZINC001196493194 1069645098 /nfs/dbraw/zinc/64/50/98/1069645098.db2.gz INMKWDHESMIMLQ-RTXFEEFZSA-N 0 0 457.300 0.828 20 0 JCADRN 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VXZLJMANHJFWCK-FQEVSTJZSA-N 0 0 452.533 0.394 20 0 JCADRN COC(=O)CCCCS(=O)(=O)N1CC[C@@]2(C1)CN(c1cccnc1)C(=O)CN2C(C)=O ZINC001196934184 1069664321 /nfs/dbraw/zinc/66/43/21/1069664321.db2.gz VXZLJMANHJFWCK-HXUWFJFHSA-N 0 0 452.533 0.394 20 0 JCADRN COC(=O)CCCCS(=O)(=O)N1Cc2nccn2C[C@H](CNC(=O)c2ccnnc2)C1 ZINC001196936431 1069665596 /nfs/dbraw/zinc/66/55/96/1069665596.db2.gz CTOORNHCPJISNV-HNNXBMFYSA-N 0 0 450.521 0.208 20 0 JCADRN COC(=O)CCCCS(=O)(=O)N1Cc2nccn2C[C@@H](CNC(=O)c2ccnnc2)C1 ZINC001196936433 1069665748 /nfs/dbraw/zinc/66/57/48/1069665748.db2.gz CTOORNHCPJISNV-OAHLLOKOSA-N 0 0 450.521 0.208 20 0 JCADRN COC(=O)CCCCS(=O)(=O)N1CCc2ncc(CNC(=O)c3cnn(C)c3)n2CC1 ZINC001196936461 1069665672 /nfs/dbraw/zinc/66/56/72/1069665672.db2.gz CZPQEZXMILXNHX-UHFFFAOYSA-N 0 0 452.537 0.078 20 0 JCADRN COC(=O)CCCCS(=O)(=O)N1CCc2ncc(CNC(=O)c3nccn3C)n2CC1 ZINC001196936463 1069665731 /nfs/dbraw/zinc/66/57/31/1069665731.db2.gz CZUIRLUENFDLEK-UHFFFAOYSA-N 0 0 452.537 0.078 20 0 JCADRN COC(=O)CCCCS(=O)(=O)N1CCCn2c(=O)cc(CNC(=O)CC3CC3)nc2C1 ZINC001196936745 1069665702 /nfs/dbraw/zinc/66/57/02/1069665702.db2.gz FKKUDLKVTFHCBS-UHFFFAOYSA-N 0 0 454.549 0.538 20 0 JCADRN COC(=O)CCCCS(=O)(=O)N1CCOC[C@@]2(CN(c3ccc(F)cc3)C(=O)CO2)C1 ZINC001196936773 1069665558 /nfs/dbraw/zinc/66/55/58/1069665558.db2.gz FVSRNRLFLQPKKZ-FQEVSTJZSA-N 0 0 458.508 0.933 20 0 JCADRN COC(=O)CCCCS(=O)(=O)N1CCOC[C@]2(CN(c3ccc(F)cc3)C(=O)CO2)C1 ZINC001196936775 1069665725 /nfs/dbraw/zinc/66/57/25/1069665725.db2.gz FVSRNRLFLQPKKZ-HXUWFJFHSA-N 0 0 458.508 0.933 20 0 JCADRN COC(=O)CCCCS(=O)(=O)N1CCC[C@]2(CC(C(=O)NCc3ccncc3)=NO2)C1 ZINC001196937521 1069665574 /nfs/dbraw/zinc/66/55/74/1069665574.db2.gz PWDUZSNNBKEOBA-FQEVSTJZSA-N 0 0 452.533 0.982 20 0 JCADRN COC(=O)CCCCS(=O)(=O)N1CCC[C@@]2(CC(C(=O)NCc3ccncc3)=NO2)C1 ZINC001196937522 1069665586 /nfs/dbraw/zinc/66/55/86/1069665586.db2.gz PWDUZSNNBKEOBA-HXUWFJFHSA-N 0 0 452.533 0.982 20 0 JCADRN COC(=O)CCCCS(=O)(=O)N1CCCn2c(=O)cc(CNC(=O)C3CCC3)nc2C1 ZINC001196937737 1069665546 /nfs/dbraw/zinc/66/55/46/1069665546.db2.gz VALFABDTMSWUIC-UHFFFAOYSA-N 0 0 454.549 0.538 20 0 JCADRN COC(=O)CCCCS(=O)(=O)N1CCCn2c(=O)cc(CNC(=O)N3CCCC3)nc2C1 ZINC001196937795 1069665641 /nfs/dbraw/zinc/66/56/41/1069665641.db2.gz XAYDUKCAMCWYOK-UHFFFAOYSA-N 0 0 469.564 0.428 20 0 JCADRN CCCOc1cccnc1C(=O)NCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCSC)C(N)=O ZINC001196940169 1069665689 /nfs/dbraw/zinc/66/56/89/1069665689.db2.gz GUPQSOMRFVETTK-HOTGVXAUSA-N 0 0 481.619 0.854 20 0 JCADRN Cc1ccc(NC(=O)[C@H](C)N2CCS(=O)(=O)[C@H](C)C2)cc1S(=O)(=O)N1CCOCC1 ZINC001196943979 1069666319 /nfs/dbraw/zinc/66/63/19/1069666319.db2.gz RYTTYHFUMRFUJN-CVEARBPZSA-N 0 0 459.590 0.462 20 0 JCADRN Cc1ccc(NC(=O)[C@@H](C)N2CCS(=O)(=O)[C@H](C)C2)cc1S(=O)(=O)N1CCOCC1 ZINC001196943980 1069666415 /nfs/dbraw/zinc/66/64/15/1069666415.db2.gz RYTTYHFUMRFUJN-HZPDHXFCSA-N 0 0 459.590 0.462 20 0 JCADRN COC(=O)CCCCS(=O)(=O)N1CCN(c2ccc(S(=O)(=O)N(C)C)c3nonc32)CC1 ZINC001196944704 1069666183 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ZINC001197560551 1069697154 /nfs/dbraw/zinc/69/71/54/1069697154.db2.gz CDYGAIPPKPWTEA-DOSYZEEDSA-N 0 0 480.558 0.406 20 0 JCADRN O=C(CN1CCNC(=O)CC12CCC2)NCc1ccccc1S(=O)(=O)N1CCOCC1 ZINC001197565569 1069697056 /nfs/dbraw/zinc/69/70/56/1069697056.db2.gz VJTGHRLDEDMMOZ-UHFFFAOYSA-N 0 0 450.561 0.068 20 0 JCADRN CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)c1cnn(CC(F)(F)F)c1)C(N)=O ZINC001197568484 1069697131 /nfs/dbraw/zinc/69/71/31/1069697131.db2.gz CPIHGPSICBOPOZ-KBPBESRZSA-N 0 0 494.540 0.429 20 0 JCADRN O=C(c1cnn(-c2cccnc2)c1)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)N1CCOCC1 ZINC001197575571 1069694723 /nfs/dbraw/zinc/69/47/23/1069694723.db2.gz BHEIDAPATHCCLV-GUDVDZBRSA-N 0 0 459.528 0.001 20 0 JCADRN O=C(c1cnn(-c2cccnc2)c1)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@@H]2C(=O)N1CCOCC1 ZINC001197575572 1069694540 /nfs/dbraw/zinc/69/45/40/1069694540.db2.gz BHEIDAPATHCCLV-IPMKNSEASA-N 0 0 459.528 0.001 20 0 JCADRN O=C(c1cnn(-c2cccnc2)c1)N1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC001197575630 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KAUKGXSIFWGLMG-HXUWFJFHSA-N 0 0 467.498 0.868 20 0 JCADRN CN(C)C(=O)CN1C[C@H]2CCN(S(=O)(=O)Cc3c(F)cccc3F)CC[C@H]2S1(=O)=O ZINC001197580774 1069695163 /nfs/dbraw/zinc/69/51/63/1069695163.db2.gz UIYODFWZOLEXIK-CXAGYDPISA-N 0 0 465.544 0.609 20 0 JCADRN Cn1cc(N2C[C@@]3(COCCN(S(=O)(=O)Cc4c(F)cccc4F)C3)OCC2=O)cn1 ZINC001197581153 1069695406 /nfs/dbraw/zinc/69/54/06/1069695406.db2.gz QTIXRIHVIJCDEZ-IBGZPJMESA-N 0 0 456.471 0.663 20 0 JCADRN Cn1cc(N2C[C@]3(COCCN(S(=O)(=O)Cc4c(F)cccc4F)C3)OCC2=O)cn1 ZINC001197581154 1069695069 /nfs/dbraw/zinc/69/50/69/1069695069.db2.gz QTIXRIHVIJCDEZ-LJQANCHMSA-N 0 0 456.471 0.663 20 0 JCADRN O=C([C@@H]1CCS(=O)(=O)[C@@H]2CN(S(=O)(=O)Cc3c(F)cccc3F)C[C@@H]21)N1CCOCC1 ZINC001197581680 1069694578 /nfs/dbraw/zinc/69/45/78/1069694578.db2.gz XTLXXFBWUPTUAS-HBUWYVDXSA-N 0 0 478.539 0.389 20 0 JCADRN O=C([C@H]1CCS(=O)(=O)[C@@H]2CN(S(=O)(=O)Cc3c(F)cccc3F)C[C@@H]21)N1CCOCC1 ZINC001197581681 1069694555 /nfs/dbraw/zinc/69/45/55/1069694555.db2.gz XTLXXFBWUPTUAS-PMUMKWKESA-N 0 0 478.539 0.389 20 0 JCADRN CC(C)(C)OC(=O)N1CCN(S(=O)(=O)CCNC(=O)c2cnn(-c3cccnc3)c2)CC1 ZINC001197583299 1069698734 /nfs/dbraw/zinc/69/87/34/1069698734.db2.gz AXWGDGGTFIBSOI-UHFFFAOYSA-N 0 0 464.548 0.880 20 0 JCADRN O=C(Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@H]2O)cc1)c1cnn(-c2cccnc2)c1 ZINC001197583967 1069698787 /nfs/dbraw/zinc/69/87/87/1069698787.db2.gz MXLIMHXZTGGUKN-CWVBCOCOSA-N 0 0 458.496 0.412 20 0 JCADRN O=C(Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@H]2O)cc1)c1cnn(-c2cccnc2)c1 ZINC001197583970 1069698853 /nfs/dbraw/zinc/69/88/53/1069698853.db2.gz MXLIMHXZTGGUKN-HZVKZAKPSA-N 0 0 458.496 0.412 20 0 JCADRN O=C(Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@@H](O)[C@@H]2O)cc1)c1cnn(-c2cccnc2)c1 ZINC001197583972 1069698878 /nfs/dbraw/zinc/69/88/78/1069698878.db2.gz MXLIMHXZTGGUKN-IYWGDAJJSA-N 0 0 458.496 0.412 20 0 JCADRN O=C(Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@@H]2O)cc1)c1cnn(-c2cccnc2)c1 ZINC001197583973 1069698779 /nfs/dbraw/zinc/69/87/79/1069698779.db2.gz MXLIMHXZTGGUKN-PWIGDYEPSA-N 0 0 458.496 0.412 20 0 JCADRN CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)c1cnn(-c2cccnc2)c1)C(N)=O ZINC001197585184 1069698845 /nfs/dbraw/zinc/69/88/45/1069698845.db2.gz COPNGUCQGMBKSO-ROUUACIJSA-N 0 0 489.602 0.251 20 0 JCADRN CC(C)[C@H](NC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)c1cnn(-c2cccnc2)c1)C(N)=O ZINC001197585821 1069698817 /nfs/dbraw/zinc/69/88/17/1069698817.db2.gz MVOKBJZMNOBGSO-UXHICEINSA-N 0 0 450.499 0.940 20 0 JCADRN CC(C)C[C@H](NC(=O)[C@@H]1CCCN1S(=O)(=O)Cc1c(F)cccc1F)C(=O)NCC(N)=O ZINC001197589919 1069698678 /nfs/dbraw/zinc/69/86/78/1069698678.db2.gz HNRBVQWUEYCEEM-IRXDYDNUSA-N 0 0 474.530 0.391 20 0 JCADRN Cc1noc(C(F)(F)F)c1C(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)N1CCOCC1 ZINC001197595061 1069698899 /nfs/dbraw/zinc/69/88/99/1069698899.db2.gz RYQDHYKADMWYLB-JHJVBQTASA-N 0 0 465.450 0.736 20 0 JCADRN Cc1noc(C(F)(F)F)c1C(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@@H]2C(=O)N1CCOCC1 ZINC001197595062 1069698890 /nfs/dbraw/zinc/69/88/90/1069698890.db2.gz RYQDHYKADMWYLB-YNEHKIRRSA-N 0 0 465.450 0.736 20 0 JCADRN Cc1noc(C(F)(F)F)c1C(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O ZINC001197595097 1069698746 /nfs/dbraw/zinc/69/87/46/1069698746.db2.gz UMYPZKVUPMBUML-RYUDHWBXSA-N 0 0 461.441 0.739 20 0 JCADRN CN(C)c1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](NC(=S)NCc2ccc(Cl)cc2)[C@H]1O ZINC001197595922 1069698794 /nfs/dbraw/zinc/69/87/94/1069698794.db2.gz ATYWBPZMKYZRRK-NPNMTCQASA-N 0 0 477.978 0.829 20 0 JCADRN CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)c1c(C)noc1C(F)(F)F)C(N)=O ZINC001197605425 1069699825 /nfs/dbraw/zinc/69/98/25/1069699825.db2.gz PVICCWJUPUHUIW-RYUDHWBXSA-N 0 0 495.524 0.986 20 0 JCADRN O=S(=O)(Cc1c(F)cccc1F)Nc1ccc(O[C@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@@H]2O)cc1 ZINC001197608528 1069699841 /nfs/dbraw/zinc/69/98/41/1069699841.db2.gz STHIHCAKCZXRQM-GFEQUFNTSA-N 0 0 461.439 0.085 20 0 JCADRN O=S(=O)(Cc1c(F)cccc1F)Nc1ccc(S[C@@H]2O[C@H](CO)[C@H](O)[C@H](O)[C@@H]2O)cc1 ZINC001197608781 1069696915 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CC(C)(C)OC(=O)N1CC[C@H](S(=O)(=O)NCc2ccnc(N3CCS(=O)(=O)CC3)c2)C1 ZINC001201720872 1069910848 /nfs/dbraw/zinc/91/08/48/1069910848.db2.gz RIAKFTBUTIOGMU-INIZCTEOSA-N 0 0 474.605 0.745 20 0 JCADRN CC(C)(C)OC(=O)N1CC[C@@H](S(=O)(=O)NCc2ccnc(N3CCS(=O)(=O)CC3)c2)C1 ZINC001201720874 1069910762 /nfs/dbraw/zinc/91/07/62/1069910762.db2.gz RIAKFTBUTIOGMU-MRXNPFEDSA-N 0 0 474.605 0.745 20 0 JCADRN CC(C)(C)OC(=O)N1CC[C@@H](S(=O)(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(N)=O)C1 ZINC001201724797 1069910793 /nfs/dbraw/zinc/91/07/93/1069910793.db2.gz NYZWWIMYPHBLRE-CVEARBPZSA-N 0 0 454.549 0.128 20 0 JCADRN CC(C)(C)OC(=O)N1CC[C@H](S(=O)(=O)NCC(=O)N[C@@H](Cc2ccccc2)C(N)=O)C1 ZINC001201724798 1069911860 /nfs/dbraw/zinc/91/18/60/1069911860.db2.gz NYZWWIMYPHBLRE-HOTGVXAUSA-N 0 0 454.549 0.128 20 0 JCADRN CC(C)(C)OC(=O)N1CC[C@@H](S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NCC(N)=O)C1 ZINC001201724839 1069911706 /nfs/dbraw/zinc/91/17/06/1069911706.db2.gz OPSITLSSBCQGAZ-CVEARBPZSA-N 0 0 454.549 0.128 20 0 JCADRN CC(C)(C)OC(=O)N1CC[C@H](S(=O)(=O)N[C@@H](Cc2ccccc2)C(=O)NCC(N)=O)C1 ZINC001201724840 1069911833 /nfs/dbraw/zinc/91/18/33/1069911833.db2.gz OPSITLSSBCQGAZ-HOTGVXAUSA-N 0 0 454.549 0.128 20 0 JCADRN C[C@H](NS(=O)(=O)[C@@H]1CCN(C(=O)OC(C)(C)C)C1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC001201724970 1069911849 /nfs/dbraw/zinc/91/18/49/1069911849.db2.gz OWIAEUHHVUTUEO-UAGQMJEPSA-N 0 0 468.576 0.517 20 0 JCADRN C[C@H](NS(=O)(=O)[C@H]1CCN(C(=O)OC(C)(C)C)C1)C(=O)N[C@@H](Cc1ccccc1)C(N)=O ZINC001201725006 1069911569 /nfs/dbraw/zinc/91/15/69/1069911569.db2.gz OWIAEUHHVUTUEO-XIRDDKMYSA-N 0 0 468.576 0.517 20 0 JCADRN Cc1nc(Cl)sc1S(=O)(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)N1CCOCC1 ZINC001201739483 1069911842 /nfs/dbraw/zinc/91/18/42/1069911842.db2.gz BAHPLCQCFBRRQN-JHJVBQTASA-N 0 0 484.021 0.388 20 0 JCADRN Cc1nc(Cl)sc1S(=O)(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@@H]2C(=O)N1CCOCC1 ZINC001201739484 1069911873 /nfs/dbraw/zinc/91/18/73/1069911873.db2.gz BAHPLCQCFBRRQN-YNEHKIRRSA-N 0 0 484.021 0.388 20 0 JCADRN Cc1nc(Cl)sc1S(=O)(=O)N1CCC2(CN(S(C)(=O)=O)C[C@]23CCN(C)C3=O)CC1 ZINC001201739489 1069911592 /nfs/dbraw/zinc/91/15/92/1069911592.db2.gz BIWSVSFVYTZLHQ-KRWDZBQOSA-N 0 0 497.064 1.000 20 0 JCADRN Cc1nc(Cl)sc1S(=O)(=O)N1CCC2(CN(S(C)(=O)=O)C[C@@]23CCN(C)C3=O)CC1 ZINC001201739490 1069911549 /nfs/dbraw/zinc/91/15/49/1069911549.db2.gz BIWSVSFVYTZLHQ-QGZVFWFLSA-N 0 0 497.064 1.000 20 0 JCADRN O=C(CN1C(=O)CCC1=O)N1CCN(C(=O)Nc2cccn(Cc3ccccc3)c2=O)CC1 ZINC001201739759 1069911824 /nfs/dbraw/zinc/91/18/24/1069911824.db2.gz ZGIGCFVGLAZMEG-UHFFFAOYSA-N 0 0 451.483 0.722 20 0 JCADRN COCC(=O)NCc1cc(=O)n2c(n1)CN(S(=O)(=O)c1sc(Cl)nc1C)CCC2 ZINC001201739845 1069911761 /nfs/dbraw/zinc/91/17/61/1069911761.db2.gz GWUQPHIYSULMQZ-UHFFFAOYSA-N 0 0 461.953 0.519 20 0 JCADRN CC(=O)N1CC(=O)N(c2cnn(C)c2)C[C@@]12CCN(S(=O)(=O)c1sc(Cl)nc1C)C2 ZINC001201739884 1069912611 /nfs/dbraw/zinc/91/26/11/1069912611.db2.gz IFQCTQWNDFACBN-KRWDZBQOSA-N 0 0 472.980 0.867 20 0 JCADRN CC(=O)N1CC(=O)N(c2cnn(C)c2)C[C@]12CCN(S(=O)(=O)c1sc(Cl)nc1C)C2 ZINC001201739885 1069912627 /nfs/dbraw/zinc/91/26/27/1069912627.db2.gz IFQCTQWNDFACBN-QGZVFWFLSA-N 0 0 472.980 0.867 20 0 JCADRN Cc1nc(Cl)sc1S(=O)(=O)N1CCc2c(n(C)nc2C(=O)N2CCN(C)CC2)C1 ZINC001201740199 1069912574 /nfs/dbraw/zinc/91/25/74/1069912574.db2.gz MIFFWTWSJYRBSA-UHFFFAOYSA-N 0 0 458.997 0.973 20 0 JCADRN Cc1nc(Cl)sc1S(=O)(=O)N1CC[C@@H]2CN(CC(=O)N(C)C)S(=O)(=O)[C@@H]2CC1 ZINC001201744377 1069912487 /nfs/dbraw/zinc/91/24/87/1069912487.db2.gz KFXWVVAXOQTCNA-VXGBXAGGSA-N 0 0 471.026 0.608 20 0 JCADRN Cc1nc(Cl)sc1S(=O)(=O)N1CCOC[C@@]2(CN(c3cnn(C)c3)C(=O)CO2)C1 ZINC001201744784 1069912418 /nfs/dbraw/zinc/91/24/18/1069912418.db2.gz NMCLAEWQVUYWHE-INIZCTEOSA-N 0 0 461.953 0.662 20 0 JCADRN Cc1nc(Cl)sc1S(=O)(=O)N1CCOC[C@]2(CN(c3cnn(C)c3)C(=O)CO2)C1 ZINC001201744785 1069912372 /nfs/dbraw/zinc/91/23/72/1069912372.db2.gz NMCLAEWQVUYWHE-MRXNPFEDSA-N 0 0 461.953 0.662 20 0 JCADRN Cc1nc(Cl)sc1S(=O)(=O)N1CCCn2c(=O)cc(CNC(=O)c3nccn3C)nc2C1 ZINC001201745216 1069912552 /nfs/dbraw/zinc/91/25/52/1069912552.db2.gz QUQQBBFZPHUNMZ-UHFFFAOYSA-N 0 0 497.990 0.920 20 0 JCADRN Cc1nc(Cl)sc1S(=O)(=O)N1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O ZINC001201748730 1069912695 /nfs/dbraw/zinc/91/26/95/1069912695.db2.gz GHJRAYBAJKNIOK-RYUDHWBXSA-N 0 0 480.012 0.390 20 0 JCADRN Cc1nc(Cl)sc1S(=O)(=O)NCCOCCOCCOCCOCCOCCO ZINC001201765078 1069912270 /nfs/dbraw/zinc/91/22/70/1069912270.db2.gz UPDGWJQNPBLUQB-UHFFFAOYSA-N 0 0 477.001 0.459 20 0 JCADRN COCCCS(=O)(=O)N1CCN(C(=O)Nc2ccc(F)cc2CS(C)(=O)=O)CC1 ZINC001201773152 1069912249 /nfs/dbraw/zinc/91/22/49/1069912249.db2.gz FXWVTDMAVHEGEM-UHFFFAOYSA-N 0 0 451.542 0.886 20 0 JCADRN Cc1nc(Cl)sc1S(=O)(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)N[C@H](C(N)=O)[C@@H](C)O ZINC001201773667 1069912712 /nfs/dbraw/zinc/91/27/12/1069912712.db2.gz WXMZSUBNNRGQRE-ICCXJUOJSA-N 0 0 476.964 0.051 20 0 JCADRN COC(=O)[C@H](CCCCNS(=O)(=O)c1sc(Cl)nc1C)NC(=O)CNC(C)=O ZINC001201773725 1069912306 /nfs/dbraw/zinc/91/23/06/1069912306.db2.gz ZTKNEJUHZQABNB-NSHDSACASA-N 0 0 454.958 0.347 20 0 JCADRN COC(=O)[C@H]1CCS(=O)(=O)C12CN(S(=O)(=O)c1cccc(F)c1Br)C2 ZINC001201780138 1069913236 /nfs/dbraw/zinc/91/32/36/1069913236.db2.gz VXLDAIXAEYVALS-SECBINFHSA-N 0 0 456.311 0.939 20 0 JCADRN COC(=O)[C@@H]1CCS(=O)(=O)C12CN(S(=O)(=O)c1cccc(F)c1Br)C2 ZINC001201780141 1069913420 /nfs/dbraw/zinc/91/34/20/1069913420.db2.gz VXLDAIXAEYVALS-VIFPVBQESA-N 0 0 456.311 0.939 20 0 JCADRN CN(C)C(=O)COCc1nnc2n1CCN(S(=O)(=O)c1cccc(F)c1Br)C2 ZINC001201782951 1069913586 /nfs/dbraw/zinc/91/35/86/1069913586.db2.gz VEOZCGNKYXRMAJ-UHFFFAOYSA-N 0 0 476.328 0.989 20 0 JCADRN CS(=O)(=O)Cc1cc(F)ccc1NC(=O)NCC(=O)NCC(=O)NCc1ccccc1 ZINC001201786345 1069913543 /nfs/dbraw/zinc/91/35/43/1069913543.db2.gz OSGGTKULEKAJKJ-UHFFFAOYSA-N 0 0 450.492 0.924 20 0 JCADRN COC(=O)[C@H](CCCCNS(=O)(=O)c1cccc(F)c1Br)NC(=O)CNC(C)=O ZINC001201788996 1069913338 /nfs/dbraw/zinc/91/33/38/1069913338.db2.gz ADVSUQUDMRBLOG-ZDUSSCGKSA-N 0 0 496.355 0.831 20 0 JCADRN NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CO)NS(=O)(=O)c1cccc(F)c1Br ZINC001201789491 1069913435 /nfs/dbraw/zinc/91/34/35/1069913435.db2.gz HHEPIMDAYKAFTF-KBPBESRZSA-N 0 0 488.335 0.440 20 0 JCADRN COC(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)NS(=O)(=O)c1cccc(F)c1Br ZINC001201789956 1069913662 /nfs/dbraw/zinc/91/36/62/1069913662.db2.gz QUACNCYGVBGQMV-GUBZILKMSA-N 0 0 482.328 0.437 20 0 JCADRN NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CNS(=O)(=O)c1cccc(F)c1Br ZINC001201790128 1069913490 /nfs/dbraw/zinc/91/34/90/1069913490.db2.gz UZAXDEJNIQJJHI-ZDUSSCGKSA-N 0 0 474.308 0.785 20 0 JCADRN NC(=O)CNC(=O)[C@H](Cc1ccc(O)cc1)NS(=O)(=O)c1cccc(F)c1Br ZINC001201790129 1069913638 /nfs/dbraw/zinc/91/36/38/1069913638.db2.gz VAQJEJCNSLHJKZ-ZDUSSCGKSA-N 0 0 474.308 0.785 20 0 JCADRN Cc1cn([C@H]2C[C@H](NS(=O)(=O)c3cccc(F)c3Br)[C@@H](CO)O2)c(=O)[nH]c1=O ZINC001201790507 1069913260 /nfs/dbraw/zinc/91/32/60/1069913260.db2.gz GUVQUDKHMJXOFN-DMDPSCGWSA-N 0 0 478.296 0.786 20 0 JCADRN Cc1cn(CC(=O)NCCNS(=O)(=O)c2cccc(F)c2Br)c(=O)[nH]c1=O ZINC001201792988 1069913199 /nfs/dbraw/zinc/91/31/99/1069913199.db2.gz XOGOMZRXKMLPQN-UHFFFAOYSA-N 0 0 463.285 0.254 20 0 JCADRN Cc1c(C)c(C)c(S(=O)(=O)N[C@H]2[C@H](n3ccc(=O)[nH]c3=O)O[C@H](CO)[C@H]2O)c(C)c1C ZINC001201802189 1069913625 /nfs/dbraw/zinc/91/36/25/1069913625.db2.gz ZEEBZLMBYNVAGP-KLICCBINSA-N 0 0 453.517 0.089 20 0 JCADRN Cc1c(C)c(C)c(S(=O)(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)N[C@@H](CO)C(N)=O)c(C)c1C ZINC001201803746 1069913649 /nfs/dbraw/zinc/91/36/49/1069913649.db2.gz OFZKPCODDJQPRZ-PMACEKPBSA-N 0 0 477.583 0.786 20 0 JCADRN CCOc1ccc(NC(=O)c2ccc(Br)cc2)cc1S(=O)(=O)NC(C(N)=O)C(N)=O ZINC001201804063 1069913397 /nfs/dbraw/zinc/91/33/97/1069913397.db2.gz JDVIZEPAOOMWJQ-UHFFFAOYSA-N 0 0 499.343 0.718 20 0 JCADRN COC(=O)c1cncc(S(=O)(=O)N2CC3(CN(C(=O)OC(C)(C)C)C3)[C@@]3(CCNC3=O)C2)c1 ZINC001201843976 1069915869 /nfs/dbraw/zinc/91/58/69/1069915869.db2.gz FEYRSGLLWHMSDW-NRFANRHFSA-N 0 0 480.543 0.616 20 0 JCADRN COC(=O)c1cncc(S(=O)(=O)N2CC3(CN(C(=O)OC(C)(C)C)C3)[C@]3(CCNC3=O)C2)c1 ZINC001201843977 1069915571 /nfs/dbraw/zinc/91/55/71/1069915571.db2.gz FEYRSGLLWHMSDW-OAQYLSRUSA-N 0 0 480.543 0.616 20 0 JCADRN COC(=O)c1cncc(S(=O)(=O)N2CCO[C@@]3(C2)COCCN(C(=O)OC(C)(C)C)C3)c1 ZINC001201844090 1069915693 /nfs/dbraw/zinc/91/56/93/1069915693.db2.gz KNCMWJWCHPYHRN-FQEVSTJZSA-N 0 0 471.532 0.895 20 0 JCADRN COC(=O)c1cncc(S(=O)(=O)N2CCO[C@]3(C2)COCCN(C(=O)OC(C)(C)C)C3)c1 ZINC001201844091 1069915673 /nfs/dbraw/zinc/91/56/73/1069915673.db2.gz KNCMWJWCHPYHRN-HXUWFJFHSA-N 0 0 471.532 0.895 20 0 JCADRN COC(=O)c1cncc(S(=O)(=O)N2CCOC[C@]3(CN(C(=O)OC(C)(C)C)CCO3)C2)c1 ZINC001201844195 1069915532 /nfs/dbraw/zinc/91/55/32/1069915532.db2.gz MPRBFTUNVCCKHV-FQEVSTJZSA-N 0 0 471.532 0.895 20 0 JCADRN COC(=O)c1cncc(S(=O)(=O)N2CCOC[C@@]3(CN(C(=O)OC(C)(C)C)CCO3)C2)c1 ZINC001201844196 1069915935 /nfs/dbraw/zinc/91/59/35/1069915935.db2.gz MPRBFTUNVCCKHV-HXUWFJFHSA-N 0 0 471.532 0.895 20 0 JCADRN 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CNC(=O)N1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2CC23CCOCC3)CC1 ZINC001299268578 1069457559 /nfs/dbraw/zinc/45/75/59/1069457559.db2.gz DRQOLQBQPMOZKB-HUUCEWRRSA-N 0 0 455.585 0.166 20 0 JCADRN CNC(=O)N1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CC23CCOCC3)CC1 ZINC001299268579 1069457615 /nfs/dbraw/zinc/45/76/15/1069457615.db2.gz DRQOLQBQPMOZKB-LSDHHAIUSA-N 0 0 455.585 0.166 20 0 JCADRN CNC(=O)N1CCN(c2nnc(C(C)(C)C)n2CCS(=O)(=O)N2CCSCC2)CC1 ZINC001299268590 1069457670 /nfs/dbraw/zinc/45/76/70/1069457670.db2.gz FDACFKQJINASPM-UHFFFAOYSA-N 0 0 459.642 0.416 20 0 JCADRN CNC(=O)N1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2nnc(C(C)(C)C)s2)CC1 ZINC001299268600 1069457658 /nfs/dbraw/zinc/45/76/58/1069457658.db2.gz FHRINBMUCFUOMQ-GFCCVEGCSA-N 0 0 485.640 0.547 20 0 JCADRN CNC(=O)N1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2nnc(C(C)(C)C)s2)CC1 ZINC001299268601 1069457632 /nfs/dbraw/zinc/45/76/32/1069457632.db2.gz FHRINBMUCFUOMQ-LBPRGKRZSA-N 0 0 485.640 0.547 20 0 JCADRN CNC(=O)N1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cccc(COC)c2)CC1 ZINC001299268620 1069458106 /nfs/dbraw/zinc/45/81/06/1069458106.db2.gz FPCGAGZXHGEVBN-HNNXBMFYSA-N 0 0 465.580 0.544 20 0 JCADRN CNC(=O)N1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cccc(COC)c2)CC1 ZINC001299268622 1069457566 /nfs/dbraw/zinc/45/75/66/1069457566.db2.gz FPCGAGZXHGEVBN-OAHLLOKOSA-N 0 0 465.580 0.544 20 0 JCADRN CNC(=O)N1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2cccc(F)c2F)CC1 ZINC001299268642 1069458679 /nfs/dbraw/zinc/45/86/79/1069458679.db2.gz FQWJKEHICNFATH-CYBMUJFWSA-N 0 0 471.534 0.871 20 0 JCADRN CNC(=O)N1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2cccc(F)c2F)CC1 ZINC001299268645 1069458838 /nfs/dbraw/zinc/45/88/38/1069458838.db2.gz FQWJKEHICNFATH-ZDUSSCGKSA-N 0 0 471.534 0.871 20 0 JCADRN CNC(=O)N1CCN(c2nnc(C(=O)NC(C)C)n2CC2CCN(C(=O)OC)CC2)CC1 ZINC001299268660 1069460428 /nfs/dbraw/zinc/46/04/28/1069460428.db2.gz BENAEVCJKVTWOB-UHFFFAOYSA-N 0 0 450.544 0.356 20 0 JCADRN CNC(=O)N1CCN(c2nnc(C(=O)NC(C)C)n2CC(=O)N2CCN(c3ccccc3)CC2)CC1 ZINC001299268692 1069460438 /nfs/dbraw/zinc/46/04/38/1069460438.db2.gz BVRGVGKLAAWUJZ-UHFFFAOYSA-N 0 0 497.604 0.227 20 0 JCADRN CNC(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(CC(=O)NCCOC)CC1 ZINC001299268716 1069460654 /nfs/dbraw/zinc/46/06/54/1069460654.db2.gz CWRXKPNVTXEDKE-YLJYHZDGSA-N 0 0 479.626 0.217 20 0 JCADRN CNC(=O)N1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCOCC2CCOCC2)CC1 ZINC001299268744 1069461217 /nfs/dbraw/zinc/46/12/17/1069461217.db2.gz GFUWJLCBPYUREA-INIZCTEOSA-N 0 0 487.627 0.183 20 0 JCADRN CNC(=O)N1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCOCC2CCOCC2)CC1 ZINC001299268745 1069461225 /nfs/dbraw/zinc/46/12/25/1069461225.db2.gz GFUWJLCBPYUREA-MRXNPFEDSA-N 0 0 487.627 0.183 20 0 JCADRN CNC(=O)N1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCc2cccc(C)n2)CC1 ZINC001299268809 1069462460 /nfs/dbraw/zinc/46/24/60/1069462460.db2.gz ISWQFDHTSUFENU-INIZCTEOSA-N 0 0 464.596 0.686 20 0 JCADRN CNC(=O)N1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCc2cccc(C)n2)CC1 ZINC001299268810 1069462508 /nfs/dbraw/zinc/46/25/08/1069462508.db2.gz ISWQFDHTSUFENU-MRXNPFEDSA-N 0 0 464.596 0.686 20 0 JCADRN CNC(=O)N1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2CCC(=O)N(C)C)CC1 ZINC001299268820 1069462590 /nfs/dbraw/zinc/46/25/90/1069462590.db2.gz IVDWYQJXPVCEPD-UHFFFAOYSA-N 0 0 476.969 0.801 20 0 JCADRN CNC(=O)N1CCN(c2nnc(C(=O)N3CCCC3)n2CCCNC(=O)c2cccc(O)c2)CC1 ZINC001299268868 1069462637 /nfs/dbraw/zinc/46/26/37/1069462637.db2.gz DYYCJEXVJZTSNW-UHFFFAOYSA-N 0 0 484.561 0.501 20 0 JCADRN CNC(=O)N1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cccc(OC)c2)CC1 ZINC001299268878 1069462500 /nfs/dbraw/zinc/46/25/00/1069462500.db2.gz JGRZKKVWKBJLSD-AWEZNQCLSA-N 0 0 451.553 0.407 20 0 JCADRN CNC(=O)N1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cccc(OC)c2)CC1 ZINC001299268880 1069462599 /nfs/dbraw/zinc/46/25/99/1069462599.db2.gz JGRZKKVWKBJLSD-CQSZACIVSA-N 0 0 451.553 0.407 20 0 JCADRN CNC(=O)N1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cccc(C(C)(C)O)c2)CC1 ZINC001299268933 1069463077 /nfs/dbraw/zinc/46/30/77/1069463077.db2.gz JUVZTNIGJRJQSN-HNNXBMFYSA-N 0 0 479.607 0.625 20 0 JCADRN CNC(=O)N1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2cccc(C(C)(C)O)c2)CC1 ZINC001299268934 1069463102 /nfs/dbraw/zinc/46/31/02/1069463102.db2.gz JUVZTNIGJRJQSN-OAHLLOKOSA-N 0 0 479.607 0.625 20 0 JCADRN CNC(=O)N1CCN(c2nnc([C@H](C)OCCOC)n2Cc2ccc(NC(C)=O)nc2)CC1 ZINC001299268966 1069463084 /nfs/dbraw/zinc/46/30/84/1069463084.db2.gz KBLWHVPLUHYLEL-HNNXBMFYSA-N 0 0 460.539 0.865 20 0 JCADRN CNC(=O)N1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2ccc(NC(C)=O)nc2)CC1 ZINC001299268967 1069463141 /nfs/dbraw/zinc/46/31/41/1069463141.db2.gz KBLWHVPLUHYLEL-OAHLLOKOSA-N 0 0 460.539 0.865 20 0 JCADRN CNC(=O)N1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(C)cc2F)CC1 ZINC001299268970 1069463098 /nfs/dbraw/zinc/46/30/98/1069463098.db2.gz KDEPZEYEVFDAKT-AWEZNQCLSA-N 0 0 453.544 0.846 20 0 JCADRN CNC(=O)N1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(C)cc2F)CC1 ZINC001299268971 1069463136 /nfs/dbraw/zinc/46/31/36/1069463136.db2.gz KDEPZEYEVFDAKT-CQSZACIVSA-N 0 0 453.544 0.846 20 0 JCADRN CNC(=O)N1CCN(c2nnc(C(=O)NC(C)C)n2CCn2cc(Br)cn2)CC1 ZINC001299269000 1069463121 /nfs/dbraw/zinc/46/31/21/1069463121.db2.gz HDEXKLUNDCVBHU-UHFFFAOYSA-N 0 0 468.360 0.537 20 0 JCADRN CNC(=O)N1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCOc2ccc(OC)cc2)CC1 ZINC001299269001 1069463001 /nfs/dbraw/zinc/46/30/01/1069463001.db2.gz KQXDWMUMMDNWND-INIZCTEOSA-N 0 0 495.606 0.827 20 0 JCADRN CNC(=O)N1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCCOc2ccc(OC)cc2)CC1 ZINC001299269004 1069463030 /nfs/dbraw/zinc/46/30/30/1069463030.db2.gz KQXDWMUMMDNWND-MRXNPFEDSA-N 0 0 495.606 0.827 20 0 JCADRN CNC(=O)N1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](N2CCOCC2)C(F)(F)F)CC1 ZINC001299269087 1069463054 /nfs/dbraw/zinc/46/30/54/1069463054.db2.gz HHWCBBRFVHAJDX-HNNXBMFYSA-N 0 0 488.515 0.239 20 0 JCADRN CNC(=O)N1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](N2CCOCC2)C(F)(F)F)CC1 ZINC001299269090 1069463132 /nfs/dbraw/zinc/46/31/32/1069463132.db2.gz HHWCBBRFVHAJDX-OAHLLOKOSA-N 0 0 488.515 0.239 20 0 JCADRN CNC(=O)N1CCN(c2nnc([C@H](C)OCCOC)n2CC2(S(C)(=O)=O)CCCC2)CC1 ZINC001299269127 1069463710 /nfs/dbraw/zinc/46/37/10/1069463710.db2.gz MYRFNHBCQDYUSV-INIZCTEOSA-N 0 0 472.612 0.821 20 0 JCADRN CNC(=O)N1CCN(c2nnc([C@@H](C)OCCOC)n2CC2(S(C)(=O)=O)CCCC2)CC1 ZINC001299269134 1069463651 /nfs/dbraw/zinc/46/36/51/1069463651.db2.gz MYRFNHBCQDYUSV-MRXNPFEDSA-N 0 0 472.612 0.821 20 0 JCADRN CNC(=O)N1CCN(c2nnc(C(=O)Nc3ccccn3)n2Cc2ccc(N(C)C)nc2)CC1 ZINC001299269156 1069463712 /nfs/dbraw/zinc/46/37/12/1069463712.db2.gz IKNVZHBGSKXAAW-UHFFFAOYSA-N 0 0 464.534 0.896 20 0 JCADRN CNC(=O)N1CCN(c2nnc(C(=O)N3CCCC3)n2CC2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC001299269157 1069463754 /nfs/dbraw/zinc/46/37/54/1069463754.db2.gz IKSZNFCDBUHDHS-UHFFFAOYSA-N 0 0 476.582 0.842 20 0 JCADRN CNC(=O)N1CCN(c2nnc(C(=O)N3CCCC3)n2CCNC(=O)c2cccc(OC)c2)CC1 ZINC001299269206 1069463706 /nfs/dbraw/zinc/46/37/06/1069463706.db2.gz KGKZPDOZQDWRRC-UHFFFAOYSA-N 0 0 484.561 0.414 20 0 JCADRN CNC(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCCN(CC(=O)N2CCCC2)CC1 ZINC001299269213 1069463762 /nfs/dbraw/zinc/46/37/62/1069463762.db2.gz KLYZLPNHHFEKJW-RXVVDRJESA-N 0 0 477.610 0.273 20 0 JCADRN CNC(=O)N1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCC[C@@]3(CCOC3)O2)CC1 ZINC001299269267 1069463753 /nfs/dbraw/zinc/46/37/53/1069463753.db2.gz OYMCPPJYVHNCNA-FTRWYGJKSA-N 0 0 485.611 0.078 20 0 JCADRN CNC(=O)N1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCC[C@]3(CCOC3)O2)CC1 ZINC001299269268 1069463757 /nfs/dbraw/zinc/46/37/57/1069463757.db2.gz OYMCPPJYVHNCNA-RZQQEMMASA-N 0 0 485.611 0.078 20 0 JCADRN CNC(=O)N1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCC[C@]3(CCOC3)O2)CC1 ZINC001299269269 1069463768 /nfs/dbraw/zinc/46/37/68/1069463768.db2.gz OYMCPPJYVHNCNA-TWOQFEAHSA-N 0 0 485.611 0.078 20 0 JCADRN CNC(=O)N1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCC[C@@]3(CCOC3)O2)CC1 ZINC001299269270 1069463721 /nfs/dbraw/zinc/46/37/21/1069463721.db2.gz OYMCPPJYVHNCNA-YRNRMSPPSA-N 0 0 485.611 0.078 20 0 JCADRN CNC(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(CC(=O)NC2CCCCC2)CC1 ZINC001299269288 1069463678 /nfs/dbraw/zinc/46/36/78/1069463678.db2.gz LJROFCDDLHXJJQ-AVRDEDQJSA-N 0 0 491.637 0.709 20 0 JCADRN CNC(=O)N1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](C)c2ncc(C)s2)CC1 ZINC001299269297 1069463695 /nfs/dbraw/zinc/46/36/95/1069463695.db2.gz PIILHSSEOUXOLU-GXTWGEPZSA-N 0 0 470.625 0.918 20 0 JCADRN CNC(=O)N1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](C)c2ncc(C)s2)CC1 ZINC001299269298 1069463700 /nfs/dbraw/zinc/46/37/00/1069463700.db2.gz PIILHSSEOUXOLU-JSGCOSHPSA-N 0 0 470.625 0.918 20 0 JCADRN CNC(=O)N1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](C)c2ncc(C)s2)CC1 ZINC001299269301 1069464310 /nfs/dbraw/zinc/46/43/10/1069464310.db2.gz PIILHSSEOUXOLU-OCCSQVGLSA-N 0 0 470.625 0.918 20 0 JCADRN CNC(=O)N1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](C)c2ncc(C)s2)CC1 ZINC001299269302 1069464288 /nfs/dbraw/zinc/46/42/88/1069464288.db2.gz PIILHSSEOUXOLU-TZMCWYRMSA-N 0 0 470.625 0.918 20 0 JCADRN CNC(=O)N1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(OC)cc2F)CC1 ZINC001299269303 1069464216 /nfs/dbraw/zinc/46/42/16/1069464216.db2.gz PJFYGZVXWCYVFV-CYBMUJFWSA-N 0 0 469.543 0.546 20 0 JCADRN CNC(=O)N1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(OC)cc2F)CC1 ZINC001299269306 1069464250 /nfs/dbraw/zinc/46/42/50/1069464250.db2.gz PJFYGZVXWCYVFV-ZDUSSCGKSA-N 0 0 469.543 0.546 20 0 JCADRN CNC(=O)N1CCN(c2nnc([C@H](C)OCCOC)n2CC2(CS(C)(=O)=O)CC2)CC1 ZINC001299269335 1069464331 /nfs/dbraw/zinc/46/43/31/1069464331.db2.gz QAMBAQBNCSPTSF-HNNXBMFYSA-N 0 0 458.585 0.288 20 0 JCADRN CNC(=O)N1CCN(c2nnc([C@@H](C)OCCOC)n2CC2(CS(C)(=O)=O)CC2)CC1 ZINC001299269336 1069464209 /nfs/dbraw/zinc/46/42/09/1069464209.db2.gz QAMBAQBNCSPTSF-OAHLLOKOSA-N 0 0 458.585 0.288 20 0 JCADRN CNC(=O)N1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2ccc(OC)c(OC)c2)CC1 ZINC001299269353 1069464338 /nfs/dbraw/zinc/46/43/38/1069464338.db2.gz QIMXWYPKQLVQAT-HNNXBMFYSA-N 0 0 495.606 0.610 20 0 JCADRN CNC(=O)N1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2ccc(OC)c(OC)c2)CC1 ZINC001299269356 1069464329 /nfs/dbraw/zinc/46/43/29/1069464329.db2.gz QIMXWYPKQLVQAT-OAHLLOKOSA-N 0 0 495.606 0.610 20 0 JCADRN CNC(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C(=O)C(=O)N2CCCC2)CC1 ZINC001299269379 1069464254 /nfs/dbraw/zinc/46/42/54/1069464254.db2.gz MLDKRYWTNPCGDB-IEBWSBKVSA-N 0 0 489.621 0.604 20 0 JCADRN CNC(=O)N1CCN(c2nnc(C(=O)NC(C)C)n2Cc2cc(F)ccc2N2CCOCC2)CC1 ZINC001299269410 1069464955 /nfs/dbraw/zinc/46/49/55/1069464955.db2.gz NFULTTOWZXFXLX-UHFFFAOYSA-N 0 0 488.568 0.902 20 0 JCADRN CNC(=O)N1CCN(c2nnc([C@H](C)OCCOC)n2Cc2ccc3c(c2)C(=O)NCC3)CC1 ZINC001299269606 1069465572 /nfs/dbraw/zinc/46/55/72/1069465572.db2.gz RJBFFTKEOAQBBS-INIZCTEOSA-N 0 0 471.562 0.798 20 0 JCADRN CNC(=O)N1CCN(c2nnc([C@@H](C)OCCOC)n2Cc2ccc3c(c2)C(=O)NCC3)CC1 ZINC001299269607 1069465532 /nfs/dbraw/zinc/46/55/32/1069465532.db2.gz RJBFFTKEOAQBBS-MRXNPFEDSA-N 0 0 471.562 0.798 20 0 JCADRN CNC(=O)N1CCN(c2nnc(C(=O)N3CCCC3)n2CC2(S(C)(=O)=O)CCCC2)CC1 ZINC001299269733 1069466770 /nfs/dbraw/zinc/46/67/70/1069466770.db2.gz OKSCKQOCHRPMKM-UHFFFAOYSA-N 0 0 467.596 0.333 20 0 JCADRN CNC(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CCN(C(=O)c2ccccn2)CC1 ZINC001299269742 1069466820 /nfs/dbraw/zinc/46/68/20/1069466820.db2.gz OOLNOXNZPBLCOS-LPHOPBHVSA-N 0 0 457.535 0.496 20 0 JCADRN CNC(=O)N1CCN(c2nnc(-c3cc(OC)c(OC)c(OC)c3)n2CC(=O)NCC(F)F)CC1 ZINC001299269782 1069466708 /nfs/dbraw/zinc/46/67/08/1069466708.db2.gz AQOQSEKRKNRSIK-UHFFFAOYSA-N 0 0 497.503 0.814 20 0 JCADRN CNC(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 ZINC001299269787 1069466853 /nfs/dbraw/zinc/46/68/53/1069466853.db2.gz PKKXDAKSDRIORX-WIYYLYMNSA-N 0 0 491.637 0.314 20 0 JCADRN 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CNS(=O)(=O)c1cccc(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CCN(C(=O)OC)CC2)c1 ZINC001299293440 1069561609 /nfs/dbraw/zinc/56/16/09/1069561609.db2.gz OBWNFKYAHDAESJ-INIZCTEOSA-N 0 0 477.547 0.074 20 0 JCADRN CNS(=O)(=O)c1cccc(Cn2c([C@H]3CCC(=O)N3)nnc2N2CCN(C(=O)OC)CC2)c1 ZINC001299293443 1069561659 /nfs/dbraw/zinc/56/16/59/1069561659.db2.gz OBWNFKYAHDAESJ-MRXNPFEDSA-N 0 0 477.547 0.074 20 0 JCADRN CNS(=O)(=O)c1cccc(Cn2c(-c3cccnc3)nnc2N2CCN(C(C)=O)CC2)c1 ZINC001299293446 1069561560 /nfs/dbraw/zinc/56/15/60/1069561560.db2.gz OCIIUNMXVUQLDB-UHFFFAOYSA-N 0 0 455.544 0.965 20 0 JCADRN CNS(=O)(=O)c1cccc(Cn2c([C@@H]3CCCCO3)nnc2N2CCN(C(=O)COC)CC2)c1 ZINC001299293463 1069561503 /nfs/dbraw/zinc/56/15/03/1069561503.db2.gz OGXVPZWQRSPASU-IBGZPJMESA-N 0 0 492.602 0.771 20 0 JCADRN CNS(=O)(=O)c1cccc(Cn2c([C@H]3CCCCO3)nnc2N2CCN(C(=O)COC)CC2)c1 ZINC001299293467 1069561596 /nfs/dbraw/zinc/56/15/96/1069561596.db2.gz OGXVPZWQRSPASU-LJQANCHMSA-N 0 0 492.602 0.771 20 0 JCADRN 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CNS(=O)(=O)c1cccc(Cn2c(-c3ccc[nH]3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)c1 ZINC001299294358 1069565722 /nfs/dbraw/zinc/56/57/22/1069565722.db2.gz WETJOAOTCLRNNQ-MRXNPFEDSA-N 0 0 464.573 0.853 20 0 JCADRN CNS(=O)(=O)c1cccc(Cn2c(Cc3cccnc3)nnc2N(C)[C@@H]2CCS(=O)(=O)C2)c1 ZINC001299294376 1069565785 /nfs/dbraw/zinc/56/57/85/1069565785.db2.gz WPVHLWVXUBRCIH-GOSISDBHSA-N 0 0 490.611 0.844 20 0 JCADRN CNS(=O)(=O)c1cccc(Cn2c(Cc3cccnc3)nnc2N(C)[C@H]2CCS(=O)(=O)C2)c1 ZINC001299294377 1069565778 /nfs/dbraw/zinc/56/57/78/1069565778.db2.gz WPVHLWVXUBRCIH-SFHVURJKSA-N 0 0 490.611 0.844 20 0 JCADRN CNS(=O)(=O)c1cccc(Cn2c(-c3ccccn3)nnc2N(C)CCNS(C)(=O)=O)c1 ZINC001299294383 1069565791 /nfs/dbraw/zinc/56/57/91/1069565791.db2.gz WTFONCPQOXKFPS-UHFFFAOYSA-N 0 0 479.588 0.282 20 0 JCADRN CNS(=O)(=O)c1cccc(Cn2c(C3CC3)nnc2N2CCC(N(C)S(C)(=O)=O)CC2)c1 ZINC001299294411 1069566512 /nfs/dbraw/zinc/56/65/12/1069566512.db2.gz XRQORMXAIJTRSY-UHFFFAOYSA-N 0 0 482.632 0.972 20 0 JCADRN 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CNS(=O)(=O)CCn1c([C@@H](C)Oc2ccc(F)cc2)nnc1N1CCN(C(=O)COC)CC1 ZINC001299296182 1069592372 /nfs/dbraw/zinc/59/23/72/1069592372.db2.gz KEIIZFKAILLHBA-OAHLLOKOSA-N 0 0 484.554 0.401 20 0 JCADRN CNS(=O)(=O)CCn1c(-c2cc(Br)cn2C)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001299296363 1069593016 /nfs/dbraw/zinc/59/30/16/1069593016.db2.gz LGKGTXFQICABPX-NSHDSACASA-N 0 0 474.385 0.297 20 0 JCADRN CNS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001299296403 1069593361 /nfs/dbraw/zinc/59/33/61/1069593361.db2.gz NOYSBFQLMDUEFY-INIZCTEOSA-N 0 0 499.638 0.757 20 0 JCADRN CNS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CC[C@H](CN(C)C(=O)OC(C)(C)C)C1 ZINC001299296404 1069593531 /nfs/dbraw/zinc/59/35/31/1069593531.db2.gz NOYSBFQLMDUEFY-MRXNPFEDSA-N 0 0 499.638 0.757 20 0 JCADRN CNS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCC(c2ncc3n2CCCC3)CC1 ZINC001299296419 1069593645 /nfs/dbraw/zinc/59/36/45/1069593645.db2.gz NUGQBJPNGGQADS-UHFFFAOYSA-N 0 0 478.623 0.882 20 0 JCADRN CNS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1Cc2c(OC)ccc(OC)c2[C@@H](O)C1 ZINC001299296442 1069593376 /nfs/dbraw/zinc/59/33/76/1069593376.db2.gz NVUZYNLPDYPSMF-HNNXBMFYSA-N 0 0 494.574 0.134 20 0 JCADRN CNS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CCN(c2cnccn2)CC1 ZINC001299296445 1069593466 /nfs/dbraw/zinc/59/34/66/1069593466.db2.gz LWOSJBVFWRMNTO-UHFFFAOYSA-N 0 0 496.395 0.702 20 0 JCADRN CNS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1Cc2c(OC)ccc(OC)c2[C@H](O)C1 ZINC001299296454 1069593699 /nfs/dbraw/zinc/59/36/99/1069593699.db2.gz NVUZYNLPDYPSMF-OAHLLOKOSA-N 0 0 494.574 0.134 20 0 JCADRN CNS(=O)(=O)c1cccc(Cn2c(CN3CCCC3=O)nnc2N2CC(=O)N(C)C[C@@H]2C)c1 ZINC001299296515 1069594270 /nfs/dbraw/zinc/59/42/70/1069594270.db2.gz ONAZGCUJGOBPBW-HNNXBMFYSA-N 0 0 475.575 0.024 20 0 JCADRN CNS(=O)(=O)c1cccc(Cn2c(CN3CCCC3=O)nnc2N2CC(=O)N(C)C[C@H]2C)c1 ZINC001299296518 1069594108 /nfs/dbraw/zinc/59/41/08/1069594108.db2.gz ONAZGCUJGOBPBW-OAHLLOKOSA-N 0 0 475.575 0.024 20 0 JCADRN CNS(=O)(=O)CCn1c(-c2cccc(Br)c2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 ZINC001299296535 1069594284 /nfs/dbraw/zinc/59/42/84/1069594284.db2.gz MDNSKSYUUAMHIE-HNNXBMFYSA-N 0 0 498.407 0.813 20 0 JCADRN CNS(=O)(=O)c1cccc(Cn2c(CC3CC3)nnc2N2CCN(CC(=O)NC(C)C)CC2)c1 ZINC001299296537 1069594261 /nfs/dbraw/zinc/59/42/61/1069594261.db2.gz ORTXIQBKPMBMML-UHFFFAOYSA-N 0 0 489.646 0.834 20 0 JCADRN CNS(=O)(=O)CCn1c(-c2cccc(Br)c2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 ZINC001299296540 1069594172 /nfs/dbraw/zinc/59/41/72/1069594172.db2.gz MDNSKSYUUAMHIE-OAHLLOKOSA-N 0 0 498.407 0.813 20 0 JCADRN CNS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CC[C@H](C(=O)N(C)c2ccccc2)C1 ZINC001299296543 1069594322 /nfs/dbraw/zinc/59/43/22/1069594322.db2.gz OVNHPPYSXDSDDR-INIZCTEOSA-N 0 0 477.591 0.455 20 0 JCADRN CNS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CC[C@@H](C(=O)N(C)c2ccccc2)C1 ZINC001299296546 1069594312 /nfs/dbraw/zinc/59/43/12/1069594312.db2.gz OVNHPPYSXDSDDR-MRXNPFEDSA-N 0 0 477.591 0.455 20 0 JCADRN CNS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C)c(C)c2)CC1 ZINC001299296590 1069595712 /nfs/dbraw/zinc/59/57/12/1069595712.db2.gz MPVJSTBFDBTSEN-KRWDZBQOSA-N 0 0 499.663 0.381 20 0 JCADRN CNS(=O)(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(c2ccc(C)c(C)c2)CC1 ZINC001299296594 1069595737 /nfs/dbraw/zinc/59/57/37/1069595737.db2.gz MPVJSTBFDBTSEN-QGZVFWFLSA-N 0 0 499.663 0.381 20 0 JCADRN CNS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H]1c1cnn(C)c1 ZINC001299296598 1069595259 /nfs/dbraw/zinc/59/52/59/1069595259.db2.gz PKRRCWBGHMPKMP-HNNXBMFYSA-N 0 0 459.536 0.550 20 0 JCADRN CNS(=O)(=O)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H]1c1cnn(C)c1 ZINC001299296600 1069596495 /nfs/dbraw/zinc/59/64/95/1069596495.db2.gz PKRRCWBGHMPKMP-OAHLLOKOSA-N 0 0 459.536 0.550 20 0 JCADRN CNS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1CCN2C(=O)N(C)C[C@H]2C1 ZINC001299296601 1069595730 /nfs/dbraw/zinc/59/57/30/1069595730.db2.gz MSOOHZIZKMLGTJ-HNNXBMFYSA-N 0 0 453.956 0.704 20 0 JCADRN CNS(=O)(=O)CCn1c(-c2cccc(Cl)c2)nnc1N1CCN2C(=O)N(C)C[C@@H]2C1 ZINC001299296604 1069596414 /nfs/dbraw/zinc/59/64/14/1069596414.db2.gz MSOOHZIZKMLGTJ-OAHLLOKOSA-N 0 0 453.956 0.704 20 0 JCADRN CNS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCC(C(=O)Nc2ccccc2)CC1 ZINC001299296618 1069595668 /nfs/dbraw/zinc/59/56/68/1069595668.db2.gz PPHUXWXAPLBESU-UHFFFAOYSA-N 0 0 489.602 0.918 20 0 JCADRN CNS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCO[C@H](CCc2ccccc2)C1 ZINC001299296631 1069595777 /nfs/dbraw/zinc/59/57/77/1069595777.db2.gz PWWNLSXYWSANLZ-GOSISDBHSA-N 0 0 464.592 0.804 20 0 JCADRN CNS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCO[C@@H](CCc2ccccc2)C1 ZINC001299296634 1069595567 /nfs/dbraw/zinc/59/55/67/1069595567.db2.gz PWWNLSXYWSANLZ-SFHVURJKSA-N 0 0 464.592 0.804 20 0 JCADRN CNS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC(=O)N[C@H]2CCCC[C@H]21 ZINC001299296682 1069596323 /nfs/dbraw/zinc/59/63/23/1069596323.db2.gz NRQPOOYYKWKGJW-GXTWGEPZSA-N 0 0 486.396 0.832 20 0 JCADRN CNS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC001299296686 1069596388 /nfs/dbraw/zinc/59/63/88/1069596388.db2.gz NRQPOOYYKWKGJW-JSGCOSHPSA-N 0 0 486.396 0.832 20 0 JCADRN CNS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC001299296687 1069596313 /nfs/dbraw/zinc/59/63/13/1069596313.db2.gz NRQPOOYYKWKGJW-OCCSQVGLSA-N 0 0 486.396 0.832 20 0 JCADRN CNS(=O)(=O)CCn1c(-c2cc(Br)c[nH]2)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC001299296688 1069596528 /nfs/dbraw/zinc/59/65/28/1069596528.db2.gz NRQPOOYYKWKGJW-TZMCWYRMSA-N 0 0 486.396 0.832 20 0 JCADRN CNS(=O)(=O)CCn1c(-c2cc(Br)cn2C)nnc1N1CCN(CC(F)F)CC1 ZINC001299296839 1069597268 /nfs/dbraw/zinc/59/72/68/1069597268.db2.gz OEAVNTBMDJCGJJ-UHFFFAOYSA-N 0 0 496.382 0.982 20 0 JCADRN CNS(=O)(=O)CCn1c(C(=O)NCc2ccc(Cl)cc2)nnc1N1CCC(NC(C)=O)CC1 ZINC001299296851 1069597812 /nfs/dbraw/zinc/59/78/12/1069597812.db2.gz QSJBAKBZCMRRQA-UHFFFAOYSA-N 0 0 498.009 0.516 20 0 JCADRN 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CNS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(c2ccc(C)c(C)c2)CC1 ZINC001299314367 1069853599 /nfs/dbraw/zinc/85/35/99/1069853599.db2.gz FCOZTJJHHLKOST-SFHVURJKSA-N 0 0 496.659 0.673 20 0 JCADRN CNS(=O)(=O)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CC[C@@H](C)[C@@H](O)C1 ZINC001299314428 1069853159 /nfs/dbraw/zinc/85/31/59/1069853159.db2.gz GJRDJMZYXRXALY-WBVHZDCISA-N 0 0 464.596 0.208 20 0 JCADRN CNS(=O)(=O)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC(C)(OC)C1 ZINC001299314429 1069853403 /nfs/dbraw/zinc/85/34/03/1069853403.db2.gz GKISWXYHVDVPAH-AWEZNQCLSA-N 0 0 474.584 0.361 20 0 JCADRN CNS(=O)(=O)CCn1c([C@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CC(C)(OC)C1 ZINC001299314430 1069853294 /nfs/dbraw/zinc/85/32/94/1069853294.db2.gz GKISWXYHVDVPAH-CQSZACIVSA-N 0 0 474.584 0.361 20 0 JCADRN CNS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(CC(F)(F)C(F)F)CC1 ZINC001299314442 1069854237 /nfs/dbraw/zinc/85/42/37/1069854237.db2.gz GVSPRZJMVCVQKC-CYBMUJFWSA-N 0 0 472.509 0.744 20 0 JCADRN CNS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN(CC(F)(F)C(F)F)CC1 ZINC001299314443 1069854111 /nfs/dbraw/zinc/85/41/11/1069854111.db2.gz GVSPRZJMVCVQKC-ZDUSSCGKSA-N 0 0 472.509 0.744 20 0 JCADRN CNS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cccc(OC)c1 ZINC001299314455 1069854165 /nfs/dbraw/zinc/85/41/65/1069854165.db2.gz HDRCPJMQNPSVHH-HNNXBMFYSA-N 0 0 457.578 0.374 20 0 JCADRN CNS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1cccc(OC)c1 ZINC001299314456 1069853866 /nfs/dbraw/zinc/85/38/66/1069853866.db2.gz HDRCPJMQNPSVHH-OAHLLOKOSA-N 0 0 457.578 0.374 20 0 JCADRN CNS(=O)(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@H](S(C)(=O)=O)C1 ZINC001299314473 1069853931 /nfs/dbraw/zinc/85/39/31/1069853931.db2.gz HSXPVOVPRHWWFB-HNNXBMFYSA-N 0 0 461.997 0.695 20 0 JCADRN CNS(=O)(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CC[C@@H](S(C)(=O)=O)C1 ZINC001299314474 1069853899 /nfs/dbraw/zinc/85/38/99/1069853899.db2.gz HSXPVOVPRHWWFB-OAHLLOKOSA-N 0 0 461.997 0.695 20 0 JCADRN CNS(=O)(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCc2nn(C)c(=O)cc2C1 ZINC001299314484 1069854263 /nfs/dbraw/zinc/85/42/63/1069854263.db2.gz HXYTZXMQWRVLNO-UHFFFAOYSA-N 0 0 477.978 0.728 20 0 JCADRN CNS(=O)(=O)CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCN(C)C(=O)[C@@H]1C ZINC001299314490 1069854341 /nfs/dbraw/zinc/85/43/41/1069854341.db2.gz ICMFJDWEOQYZEV-HNNXBMFYSA-N 0 0 499.638 0.609 20 0 JCADRN CNS(=O)(=O)CCn1c(C2CCN(C(=O)OC(C)(C)C)CC2)nnc1N1CCN(C)C(=O)[C@H]1C ZINC001299314491 1069853969 /nfs/dbraw/zinc/85/39/69/1069853969.db2.gz ICMFJDWEOQYZEV-OAHLLOKOSA-N 0 0 499.638 0.609 20 0 JCADRN CNS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@@H](C)C2)CC1 ZINC001299314502 1069854094 /nfs/dbraw/zinc/85/40/94/1069854094.db2.gz IIDASBXHPJTABD-GUDVDZBRSA-N 0 0 497.666 0.148 20 0 JCADRN CNS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN(CC(=O)N[C@@H]2CCC[C@H](C)C2)CC1 ZINC001299314503 1069854030 /nfs/dbraw/zinc/85/40/30/1069854030.db2.gz IIDASBXHPJTABD-IPMKNSEASA-N 0 0 497.666 0.148 20 0 JCADRN CNS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@H](C)C2)CC1 ZINC001299314504 1069854138 /nfs/dbraw/zinc/85/41/38/1069854138.db2.gz IIDASBXHPJTABD-OTWHNJEPSA-N 0 0 497.666 0.148 20 0 JCADRN CNS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 ZINC001299314505 1069853997 /nfs/dbraw/zinc/85/39/97/1069853997.db2.gz IIDASBXHPJTABD-QRVBRYPASA-N 0 0 497.666 0.148 20 0 JCADRN CNS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCCN(C(=O)c2ccccc2F)CC1 ZINC001299314529 1069853838 /nfs/dbraw/zinc/85/38/38/1069853838.db2.gz JGTKEPRUTWIGQZ-INIZCTEOSA-N 0 0 480.566 0.823 20 0 JCADRN CNS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCCN(C(=O)c2ccccc2F)CC1 ZINC001299314530 1069854307 /nfs/dbraw/zinc/85/43/07/1069854307.db2.gz JGTKEPRUTWIGQZ-MRXNPFEDSA-N 0 0 480.566 0.823 20 0 JCADRN CNS(=O)(=O)CCn1c(Cc2c(F)cccc2F)nnc1N1CCN(c2ncccn2)CC1 ZINC001299314537 1069854210 /nfs/dbraw/zinc/85/42/10/1069854210.db2.gz JLTADQLDOBRAPH-UHFFFAOYSA-N 0 0 478.529 0.813 20 0 JCADRN CNS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2c(cccc2OC)C1 ZINC001299314543 1069853810 /nfs/dbraw/zinc/85/38/10/1069853810.db2.gz JOWIOEYMNKKMFV-HNNXBMFYSA-N 0 0 469.589 0.301 20 0 JCADRN CNS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2c(cccc2OC)C1 ZINC001299314544 1069854380 /nfs/dbraw/zinc/85/43/80/1069854380.db2.gz JOWIOEYMNKKMFV-OAHLLOKOSA-N 0 0 469.589 0.301 20 0 JCADRN CNS(=O)(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(C2CC2)C(=O)C1 ZINC001299314572 1069854061 /nfs/dbraw/zinc/85/40/61/1069854061.db2.gz KXHVXGDRQQOBCN-UHFFFAOYSA-N 0 0 452.968 0.883 20 0 JCADRN CNS(=O)(=O)CCn1c(C2CCN(c3ncccn3)CC2)nnc1N1CCC(CO)CC1 ZINC001299314590 1069854188 /nfs/dbraw/zinc/85/41/88/1069854188.db2.gz LLKDTSTWPVFIDD-UHFFFAOYSA-N 0 0 464.596 0.210 20 0 JCADRN CNS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H]1c1ccc(O)cc1 ZINC001299314596 1069854830 /nfs/dbraw/zinc/85/48/30/1069854830.db2.gz LRMLGFIRXJIHBF-DOTOQJQBSA-N 0 0 469.589 0.777 20 0 JCADRN CNS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H]1c1ccc(O)cc1 ZINC001299314597 1069855184 /nfs/dbraw/zinc/85/51/84/1069855184.db2.gz LRMLGFIRXJIHBF-NVXWUHKLSA-N 0 0 469.589 0.777 20 0 JCADRN CNS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H]1c1ccc(O)cc1 ZINC001299314598 1069854663 /nfs/dbraw/zinc/85/46/63/1069854663.db2.gz LRMLGFIRXJIHBF-RDJZCZTQSA-N 0 0 469.589 0.777 20 0 JCADRN CNS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H]1c1ccc(O)cc1 ZINC001299314599 1069854701 /nfs/dbraw/zinc/85/47/01/1069854701.db2.gz LRMLGFIRXJIHBF-WBVHZDCISA-N 0 0 469.589 0.777 20 0 JCADRN CNS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc2c(c1)OCO2 ZINC001299314757 1069854603 /nfs/dbraw/zinc/85/46/03/1069854603.db2.gz NAPDUMMQZZBMTM-AWEZNQCLSA-N 0 0 471.561 0.095 20 0 JCADRN CNS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccc2c(c1)OCO2 ZINC001299314761 1069855118 /nfs/dbraw/zinc/85/51/18/1069855118.db2.gz NAPDUMMQZZBMTM-CQSZACIVSA-N 0 0 471.561 0.095 20 0 JCADRN CNS(=O)(=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](C(C)C)C1 ZINC001299314787 1069854966 /nfs/dbraw/zinc/85/49/66/1069854966.db2.gz NJPDWVGJOGNODL-CVEARBPZSA-N 0 0 478.641 0.033 20 0 JCADRN CNS(=O)(=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C(C)C)C1 ZINC001299314788 1069854915 /nfs/dbraw/zinc/85/49/15/1069854915.db2.gz NJPDWVGJOGNODL-HOTGVXAUSA-N 0 0 478.641 0.033 20 0 JCADRN CNS(=O)(=O)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](C(C)C)C1 ZINC001299314789 1069854581 /nfs/dbraw/zinc/85/45/81/1069854581.db2.gz NJPDWVGJOGNODL-HZPDHXFCSA-N 0 0 478.641 0.033 20 0 JCADRN CNS(=O)(=O)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C(C)C)C1 ZINC001299314790 1069854861 /nfs/dbraw/zinc/85/48/61/1069854861.db2.gz NJPDWVGJOGNODL-JKSUJKDBSA-N 0 0 478.641 0.033 20 0 JCADRN CNS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCN(C(C)=O)CC1 ZINC001299314797 1069854996 /nfs/dbraw/zinc/85/49/96/1069854996.db2.gz NQDVKMPJNKGAFQ-KRWDZBQOSA-N 0 0 450.521 0.008 20 0 JCADRN CNS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCN(C(C)=O)CC1 ZINC001299314798 1069854804 /nfs/dbraw/zinc/85/48/04/1069854804.db2.gz NQDVKMPJNKGAFQ-QGZVFWFLSA-N 0 0 450.521 0.008 20 0 JCADRN CNS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 ZINC001299315038 1069854937 /nfs/dbraw/zinc/85/49/37/1069854937.db2.gz ORXBRFWBLNJLDN-PBHICJAKSA-N 0 0 485.588 0.353 20 0 JCADRN CNS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC[C@@H](S(C)(=O)=O)C1 ZINC001299315039 1069854554 /nfs/dbraw/zinc/85/45/54/1069854554.db2.gz ORXBRFWBLNJLDN-RHSMWYFYSA-N 0 0 485.588 0.353 20 0 JCADRN CNS(=O)(=O)CCn1c([C@H]2COc3ccccc3O2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 ZINC001299315040 1069855153 /nfs/dbraw/zinc/85/51/53/1069855153.db2.gz ORXBRFWBLNJLDN-WMLDXEAASA-N 0 0 485.588 0.353 20 0 JCADRN CNS(=O)(=O)CCn1c([C@@H]2COc3ccccc3O2)nnc1N1CCC[C@H](S(C)(=O)=O)C1 ZINC001299315041 1069854631 /nfs/dbraw/zinc/85/46/31/1069854631.db2.gz ORXBRFWBLNJLDN-YOEHRIQHSA-N 0 0 485.588 0.353 20 0 JCADRN CNS(=O)(=O)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)c1ccccc1 ZINC001299315087 1069855573 /nfs/dbraw/zinc/85/55/73/1069855573.db2.gz PNRUPMLPKKYKBZ-DOTOQJQBSA-N 0 0 486.620 0.358 20 0 JCADRN CNS(=O)(=O)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)c1ccccc1 ZINC001299315088 1069855715 /nfs/dbraw/zinc/85/57/15/1069855715.db2.gz PNRUPMLPKKYKBZ-NVXWUHKLSA-N 0 0 486.620 0.358 20 0 JCADRN CNS(=O)(=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H](C)c1ccccc1 ZINC001299315089 1069855778 /nfs/dbraw/zinc/85/57/78/1069855778.db2.gz PNRUPMLPKKYKBZ-RDJZCZTQSA-N 0 0 486.620 0.358 20 0 JCADRN CNS(=O)(=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H](C)c1ccccc1 ZINC001299315090 1069855540 /nfs/dbraw/zinc/85/55/40/1069855540.db2.gz PNRUPMLPKKYKBZ-WBVHZDCISA-N 0 0 486.620 0.358 20 0 JCADRN CNS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)c2ccc(C)cc2)CC1 ZINC001299315091 1069855690 /nfs/dbraw/zinc/85/56/90/1069855690.db2.gz PPMZPVPBSVRXSO-GOSISDBHSA-N 0 0 462.576 0.602 20 0 JCADRN CNS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)c2ccc(C)cc2)CC1 ZINC001299315092 1069855790 /nfs/dbraw/zinc/85/57/90/1069855790.db2.gz PPMZPVPBSVRXSO-SFHVURJKSA-N 0 0 462.576 0.602 20 0 JCADRN CNS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CCN(Cc2cscn2)CC1 ZINC001299315094 1069855849 /nfs/dbraw/zinc/85/58/49/1069855849.db2.gz PSTGGNFAOBZFPE-HNNXBMFYSA-N 0 0 455.610 0.500 20 0 JCADRN CNS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(Cc2cscn2)CC1 ZINC001299315095 1069855364 /nfs/dbraw/zinc/85/53/64/1069855364.db2.gz PSTGGNFAOBZFPE-OAHLLOKOSA-N 0 0 455.610 0.500 20 0 JCADRN CNS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccccc1N1CCCC1 ZINC001299315426 1069855866 /nfs/dbraw/zinc/85/58/66/1069855866.db2.gz QHMPRQJJAVSZHR-GOSISDBHSA-N 0 0 496.659 0.966 20 0 JCADRN CNS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)Cc1ccccc1N1CCCC1 ZINC001299315427 1069855804 /nfs/dbraw/zinc/85/58/04/1069855804.db2.gz QHMPRQJJAVSZHR-SFHVURJKSA-N 0 0 496.659 0.966 20 0 JCADRN CNS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)c2ccccc2)CC1 ZINC001299315434 1069855880 /nfs/dbraw/zinc/85/58/80/1069855880.db2.gz QMWRJKCCAQCETL-GOSISDBHSA-N 0 0 495.627 0.829 20 0 JCADRN CNS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C(=O)c2ccccc2)CC1 ZINC001299315435 1069855814 /nfs/dbraw/zinc/85/58/14/1069855814.db2.gz QMWRJKCCAQCETL-SFHVURJKSA-N 0 0 495.627 0.829 20 0 JCADRN CNS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 ZINC001299315468 1069855661 /nfs/dbraw/zinc/85/56/61/1069855661.db2.gz RDJPSYAQOQBWKN-UHFFFAOYSA-N 0 0 450.631 0.276 20 0 JCADRN CNS(=O)(=O)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2c(C)cccc2C1 ZINC001299315514 1069855504 /nfs/dbraw/zinc/85/55/04/1069855504.db2.gz RRWHRUSPUNCCIU-GOSISDBHSA-N 0 0 498.631 0.031 20 0 JCADRN CNS(=O)(=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCc2c(C)cccc2C1 ZINC001299315533 1069855474 /nfs/dbraw/zinc/85/54/74/1069855474.db2.gz RRWHRUSPUNCCIU-SFHVURJKSA-N 0 0 498.631 0.031 20 0 JCADRN CNS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC001299315551 1069855600 /nfs/dbraw/zinc/85/56/00/1069855600.db2.gz SLKUEPHIWCBEAD-KRWDZBQOSA-N 0 0 478.623 0.880 20 0 JCADRN CNS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC001299315552 1069855428 /nfs/dbraw/zinc/85/54/28/1069855428.db2.gz SLKUEPHIWCBEAD-QGZVFWFLSA-N 0 0 478.623 0.880 20 0 JCADRN CNS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1C[C@@H](C)[C@@H](N2CCN(C(C)=O)CC2)C1 ZINC001299315564 1069855824 /nfs/dbraw/zinc/85/58/24/1069855824.db2.gz SPCBVPGGRSZZQF-AEFFLSMTSA-N 0 0 469.656 0.405 20 0 JCADRN CNS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1C[C@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 ZINC001299315566 1069856246 /nfs/dbraw/zinc/85/62/46/1069856246.db2.gz SPCBVPGGRSZZQF-FUHWJXTLSA-N 0 0 469.656 0.405 20 0 JCADRN CNS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1C[C@@H](C)[C@H](N2CCN(C(C)=O)CC2)C1 ZINC001299315569 1069856679 /nfs/dbraw/zinc/85/66/79/1069856679.db2.gz SPCBVPGGRSZZQF-SJLPKXTDSA-N 0 0 469.656 0.405 20 0 JCADRN CNS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1C[C@H](N2CCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001299315572 1069856302 /nfs/dbraw/zinc/85/63/02/1069856302.db2.gz SPCBVPGGRSZZQF-WMZOPIPTSA-N 0 0 469.656 0.405 20 0 JCADRN CNS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)N2CCCCC2)CC1 ZINC001299315928 1069856612 /nfs/dbraw/zinc/85/66/12/1069856612.db2.gz TWFUNGANGHMXMD-INIZCTEOSA-N 0 0 455.585 0.059 20 0 JCADRN CNS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)N2CCCCC2)CC1 ZINC001299315929 1069856481 /nfs/dbraw/zinc/85/64/81/1069856481.db2.gz TWFUNGANGHMXMD-MRXNPFEDSA-N 0 0 455.585 0.059 20 0 JCADRN CNS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N1CCCN(S(=O)(=O)c2ccccc2)CC1 ZINC001299315957 1069856545 /nfs/dbraw/zinc/85/65/45/1069856545.db2.gz UOIBGMXCLYBECL-KRWDZBQOSA-N 0 0 498.631 0.232 20 0 JCADRN CNS(=O)(=O)CCn1c([C@@H]2CCOC2)nnc1N1CCCN(S(=O)(=O)c2ccccc2)CC1 ZINC001299315958 1069856355 /nfs/dbraw/zinc/85/63/55/1069856355.db2.gz UOIBGMXCLYBECL-QGZVFWFLSA-N 0 0 498.631 0.232 20 0 JCADRN CNS(=O)(=O)CCn1c(Cc2ccc(Cl)cc2)nnc1N1CCN(CC(=O)NC(C)C)CC1 ZINC001299315981 1069856338 /nfs/dbraw/zinc/85/63/38/1069856338.db2.gz VAIDQOHFMUOAAD-UHFFFAOYSA-N 0 0 498.053 0.718 20 0 JCADRN 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CNS(=O)(=O)CCn1c([C@H]2CCOC2)nnc1N(C)[C@H](C)c1ccc(S(C)(=O)=O)cc1 ZINC001299316270 1069860059 /nfs/dbraw/zinc/86/00/59/1069860059.db2.gz WBNDZZWPSOERSG-ZBFHGGJFSA-N 0 0 471.605 0.932 20 0 JCADRN CNS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCN([C@@H](C)C(=O)NC2CCCC2)CC1 ZINC001299316282 1069860173 /nfs/dbraw/zinc/86/01/73/1069860173.db2.gz WHLBEEDQZMIJCL-KRWDZBQOSA-N 0 0 483.683 0.985 20 0 JCADRN CNS(=O)(=O)CCn1c(CC(C)(C)C)nnc1N1CCN([C@H](C)C(=O)NC2CCCC2)CC1 ZINC001299316283 1069860283 /nfs/dbraw/zinc/86/02/83/1069860283.db2.gz WHLBEEDQZMIJCL-QGZVFWFLSA-N 0 0 483.683 0.985 20 0 JCADRN CNS(=O)(=O)CCn1c([C@@H]2COCCN2C(=O)OC(C)(C)C)nnc1N1CCO[C@H](C)C1 ZINC001299316336 1069860439 /nfs/dbraw/zinc/86/04/39/1069860439.db2.gz XCDWDCUSQCRKTQ-CABCVRRESA-N 0 0 474.584 0.361 20 0 JCADRN CNS(=O)(=O)CCn1c(CC2CC2)nnc1N1CCC(C(=O)Nc2nncs2)CC1 ZINC001299316337 1069860395 /nfs/dbraw/zinc/86/03/95/1069860395.db2.gz ASPVEPVSYMBGHM-UHFFFAOYSA-N 0 0 454.582 0.486 20 0 JCADRN 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CNS(=O)(=O)CCn1c(COc2cc(C)cc(C)c2)nnc1N1CCN(CC(=O)N(C)C)CC1 ZINC001299322677 1068217854 /nfs/dbraw/zinc/21/78/54/1068217854.db2.gz SATQCFZRYFEMOI-UHFFFAOYSA-N 0 0 493.634 0.233 20 0 JCADRN CNS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@](O)(c2ccc(F)cc2)C1 ZINC001299322828 1068218087 /nfs/dbraw/zinc/21/80/87/1068218087.db2.gz HEZQWJBEBNQLPK-UQASEVPWSA-N 0 0 483.566 0.788 20 0 JCADRN CNS(=O)(=O)CCn1c([C@H]2OCC[C@H]2COC)nnc1N1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC001299322831 1068217899 /nfs/dbraw/zinc/21/78/99/1068217899.db2.gz HEZQWJBEBNQLPK-XERREHJYSA-N 0 0 483.566 0.788 20 0 JCADRN CNS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C(C)=O)C[C@H]1C ZINC001299322843 1068217989 /nfs/dbraw/zinc/21/79/89/1068217989.db2.gz HHSGVSZBGKSCKJ-DJIMGWMZSA-N 0 0 456.613 0.803 20 0 JCADRN CNS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCN(C(C)=O)C[C@@H]1C ZINC001299322844 1068217952 /nfs/dbraw/zinc/21/79/52/1068217952.db2.gz HHSGVSZBGKSCKJ-USXIJHARSA-N 0 0 456.613 0.803 20 0 JCADRN CNS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCC2(CC1)NC(=O)N(C)C2=O ZINC001299322871 1068217932 /nfs/dbraw/zinc/21/79/32/1068217932.db2.gz IEUHHSKRHXHFLA-HUUCEWRRSA-N 0 0 497.622 0.267 20 0 JCADRN CNS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H]1[C@@H]1CCCO1 ZINC001299322883 1068217962 /nfs/dbraw/zinc/21/79/62/1068217962.db2.gz SVHKGIWFIXKYIP-CABCVRRESA-N 0 0 468.605 0.967 20 0 JCADRN CNS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H]1[C@@H]1CCCO1 ZINC001299322885 1068217907 /nfs/dbraw/zinc/21/79/07/1068217907.db2.gz SVHKGIWFIXKYIP-GJZGRUSLSA-N 0 0 468.605 0.967 20 0 JCADRN CNS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@@H]1[C@H]1CCCO1 ZINC001299322887 1068218034 /nfs/dbraw/zinc/21/80/34/1068218034.db2.gz SVHKGIWFIXKYIP-HUUCEWRRSA-N 0 0 468.605 0.967 20 0 JCADRN CNS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1CCC[C@H]1[C@H]1CCCO1 ZINC001299322889 1068218073 /nfs/dbraw/zinc/21/80/73/1068218073.db2.gz SVHKGIWFIXKYIP-LSDHHAIUSA-N 0 0 468.605 0.967 20 0 JCADRN CNS(=O)(=O)CCn1c([C@@H]2CCO[C@H]2C(C)(C)C)nnc1N1CCn2nc(C)nc2C1 ZINC001299322892 1068217881 /nfs/dbraw/zinc/21/78/81/1068217881.db2.gz ILARADYIJXALGK-GDBMZVCRSA-N 0 0 452.585 0.666 20 0 JCADRN CNS(=O)(=O)CCn1c(N2CCC(C(=O)N3CCCC3)CC2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001299322901 1068217867 /nfs/dbraw/zinc/21/78/67/1068217867.db2.gz IUIYIKUCERDLID-JOCHJYFZSA-N 0 0 498.650 0.707 20 0 JCADRN CNS(=O)(=O)CCn1c(N2CCC(C(=O)N3CCCC3)CC2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001299322903 1068217889 /nfs/dbraw/zinc/21/78/89/1068217889.db2.gz IUIYIKUCERDLID-QFIPXVFZSA-N 0 0 498.650 0.707 20 0 JCADRN CNS(=O)(=O)CCn1c(N2C[C@H](C)O[C@]3(CCO[C@@H]3C)C2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001299322905 1068218022 /nfs/dbraw/zinc/21/80/22/1068218022.db2.gz IWHQLQZPPXHYPH-NLEAXPPASA-N 0 0 487.623 0.641 20 0 JCADRN CNS(=O)(=O)CCn1c(N2C[C@H](C)O[C@]3(CCO[C@H]3C)C2)nnc1[C@]1(OC(C)C)CCOC1 ZINC001299322908 1068218047 /nfs/dbraw/zinc/21/80/47/1068218047.db2.gz IWHQLQZPPXHYPH-PZBISTMVSA-N 0 0 487.623 0.641 20 0 JCADRN CNS(=O)(=O)CCn1c(N2C[C@H](C)O[C@]3(CCO[C@@H]3C)C2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001299322909 1068218554 /nfs/dbraw/zinc/21/85/54/1068218554.db2.gz IWHQLQZPPXHYPH-XWDORNJCSA-N 0 0 487.623 0.641 20 0 JCADRN CNS(=O)(=O)CCn1c(N2C[C@H](C)O[C@]3(CCO[C@H]3C)C2)nnc1[C@@]1(OC(C)C)CCOC1 ZINC001299322910 1068218470 /nfs/dbraw/zinc/21/84/70/1068218470.db2.gz IWHQLQZPPXHYPH-ZCLUNYJNSA-N 0 0 487.623 0.641 20 0 JCADRN CNS(=O)(=O)CCn1c(COc2cc(C)cc(C)c2)nnc1N1CCN2C(=O)CC[C@H]2C1 ZINC001299322917 1068218514 /nfs/dbraw/zinc/21/85/14/1068218514.db2.gz TWEQMLHNBHXJFQ-KRWDZBQOSA-N 0 0 462.576 0.834 20 0 JCADRN CNS(=O)(=O)CCn1c(COc2cc(C)cc(C)c2)nnc1N1CCN2C(=O)CC[C@@H]2C1 ZINC001299322918 1068218532 /nfs/dbraw/zinc/21/85/32/1068218532.db2.gz TWEQMLHNBHXJFQ-QGZVFWFLSA-N 0 0 462.576 0.834 20 0 JCADRN CNS(=O)(=O)CCn1c(CNC(=O)c2cccs2)nnc1N1C[C@H]2CCC[C@@H](C1)C2O ZINC001299322926 1068218475 /nfs/dbraw/zinc/21/84/75/1068218475.db2.gz UDPCHWXGVQADDZ-VMZNBEPHSA-N 0 0 468.605 0.416 20 0 JCADRN CNS(=O)(=O)CCn1c(CSc2ccccc2OC)nnc1N1CCC(C(N)=O)CC1 ZINC001299322929 1068218420 /nfs/dbraw/zinc/21/84/20/1068218420.db2.gz UFDOXLFDMUUYOW-UHFFFAOYSA-N 0 0 468.605 0.830 20 0 JCADRN CNS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1CCC(CC(N)=O)CC1 ZINC001299322962 1068218507 /nfs/dbraw/zinc/21/85/07/1068218507.db2.gz VIWKBPNWASCZGG-UHFFFAOYSA-N 0 0 454.528 0.637 20 0 JCADRN CNS(=O)(=O)CCn1c(COc2ccccc2F)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1 ZINC001299322963 1068218481 /nfs/dbraw/zinc/21/84/81/1068218481.db2.gz VNPMFRFQRYHRQY-GOEBONIOSA-N 0 0 466.539 0.602 20 0 JCADRN CNS(=O)(=O)CCn1c(COc2cccc(C)c2)nnc1N1CCC[C@H](NC(C)=O)C1 ZINC001299322964 1068218539 /nfs/dbraw/zinc/21/85/39/1068218539.db2.gz VOIKCDVADBTICH-KRWDZBQOSA-N 0 0 450.565 0.820 20 0 JCADRN CNS(=O)(=O)CCn1c(COc2cccc(C)c2)nnc1N1CCC[C@@H](NC(C)=O)C1 ZINC001299322965 1068218488 /nfs/dbraw/zinc/21/84/88/1068218488.db2.gz VOIKCDVADBTICH-QGZVFWFLSA-N 0 0 450.565 0.820 20 0 JCADRN CNS(=O)(=O)CCn1c([C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2)nnc1N1CCN(C)C(=O)[C@H]1C 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JCADRN CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CNC(=O)[C@H]2C[C@@H](O)CN2C(=O)Cc2ccccc2F)C1 ZINC001649091800 1069445015 /nfs/dbraw/zinc/44/50/15/1069445015.db2.gz ZHJGKCOPBCLKBD-QFHJOOASSA-N 0 0 465.522 0.674 20 0 JCADRN CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CNC(=O)[C@H]2C[C@H](O)CN2C(=O)Cc2ccccc2F)C1 ZINC001649091801 1069445073 /nfs/dbraw/zinc/44/50/73/1069445073.db2.gz ZHJGKCOPBCLKBD-RNIPGJKVSA-N 0 0 465.522 0.674 20 0 JCADRN CCN(CCC(=O)NC)C(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)N3CCOCC3)cc21 ZINC001649100378 1069446499 /nfs/dbraw/zinc/44/64/99/1069446499.db2.gz GSHJLYRVBMZBOP-UHFFFAOYSA-N 0 0 450.517 0.560 20 0 JCADRN CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(=O)N2C[C@H]3CS(=O)(=O)C[C@@]3(C)C2)cc1 ZINC001649101200 1069446484 /nfs/dbraw/zinc/44/64/84/1069446484.db2.gz ODBSNXSTIGQYRZ-OXJNMPFZSA-N 0 0 471.601 0.340 20 0 JCADRN CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)NCc2c(C)nn(C)c2N2CCOCC2)c1 ZINC001649112151 1069449166 /nfs/dbraw/zinc/44/91/66/1069449166.db2.gz MQZAGFIOVWUCCC-HNNXBMFYSA-N 0 0 450.565 0.590 20 0 JCADRN CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)NCc2c(C)nn(C)c2N2CCOCC2)c1 ZINC001649112152 1069448959 /nfs/dbraw/zinc/44/89/59/1069448959.db2.gz MQZAGFIOVWUCCC-OAHLLOKOSA-N 0 0 450.565 0.590 20 0 JCADRN CCOC(=O)[C@@H]1CN(C(=O)CNC(=O)c2ccc(S(=O)(=O)N(CC)CC)cc2)CCO1 ZINC001649116049 1069449479 /nfs/dbraw/zinc/44/94/79/1069449479.db2.gz QGOYWYFEYZOXKJ-KRWDZBQOSA-N 0 0 455.533 0.237 20 0 JCADRN CCOC(=O)[C@H]1CN(C(=O)CNC(=O)c2ccc(S(=O)(=O)N(CC)CC)cc2)CCO1 ZINC001649116156 1069449728 /nfs/dbraw/zinc/44/97/28/1069449728.db2.gz QGOYWYFEYZOXKJ-QGZVFWFLSA-N 0 0 455.533 0.237 20 0 JCADRN CCOC(=O)[C@]1(C)CN(C(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CCO1 ZINC001649117257 1069457682 /nfs/dbraw/zinc/45/76/82/1069457682.db2.gz YIQWNHSMFLDHJJ-NRFANRHFSA-N 0 0 454.545 0.821 20 0 JCADRN CCOC(=O)[C@@]1(C)CN(C(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CCO1 ZINC001649117259 1069457592 /nfs/dbraw/zinc/45/75/92/1069457592.db2.gz YIQWNHSMFLDHJJ-OAQYLSRUSA-N 0 0 454.545 0.821 20 0 JCADRN NC(=O)CNS(=O)(=O)c1ccc(Cl)c(C(=O)NCC[C@@H](NC2CC2)C(F)(F)F)c1 ZINC001649120233 1069547697 /nfs/dbraw/zinc/54/76/97/1069547697.db2.gz BNDMFQXWYUFILI-CYBMUJFWSA-N 0 0 456.874 0.906 20 0 JCADRN NC(=O)CNS(=O)(=O)c1ccc(Cl)c(C(=O)NCC[C@H](NC2CC2)C(F)(F)F)c1 ZINC001649120234 1069547646 /nfs/dbraw/zinc/54/76/46/1069547646.db2.gz BNDMFQXWYUFILI-ZDUSSCGKSA-N 0 0 456.874 0.906 20 0 JCADRN COC(=O)[C@H]1C[C@@H](O)CN1C(=O)C1CCN(S(=O)(=O)c2ccc(OC)c(OC)c2)CC1 ZINC001649136879 1069861560 /nfs/dbraw/zinc/86/15/60/1069861560.db2.gz SMCMHQTWFZWKPO-GDBMZVCRSA-N 0 0 456.517 0.239 20 0 JCADRN NS(=O)(=O)c1cc(NC(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)cs1 ZINC001649140856 1070205736 /nfs/dbraw/zinc/20/57/36/1070205736.db2.gz JJQACFXEHFKFHT-UHFFFAOYSA-N 0 0 451.573 0.659 20 0 JCADRN COCCN1C[C@@H](C(=O)N2CCC[C@H]2C(=O)N2CCN(C(=O)OC(C)(C)C)CC2)CC1=O ZINC001649150645 1070341321 /nfs/dbraw/zinc/34/13/21/1070341321.db2.gz BFZUELAUOPVPQQ-IRXDYDNUSA-N 0 0 452.552 0.552 20 0 JCADRN 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