smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C=CCN1c2ccccc2/C(=c2\sc3n(c2=O)[C@@H](c2ccc(F)cc2)C(C(=O)OCC)=C(C)N=3)C1=O ZINC000000628973 551504823 /nfs/dbraw/zinc/50/48/23/551504823.db2.gz FGYRLBJUZJNBEN-MOBKVPTQSA-N 0 0 503.555 2.840 40 30 KFEBRN C=CCN1c2ccccc2/C(=c2\sc3n(c2=O)[C@H](c2ccc(F)cc2)C(C(=O)OCC)=C(C)N=3)C1=O ZINC000000628974 551504832 /nfs/dbraw/zinc/50/48/32/551504832.db2.gz FGYRLBJUZJNBEN-HOGKFDNTSA-N 0 0 503.555 2.840 40 30 KFEBRN C=CCN1c2ccccc2/C(=c2\sc3n(c2=O)[C@@H](c2ccc(OC)c(OC)c2)C(C(=O)OCC)=C(C)N=3)C1=O ZINC000000630725 551504820 /nfs/dbraw/zinc/50/48/20/551504820.db2.gz XQPTVXCGVHIBHO-NXLSWJSLSA-N 0 0 545.617 2.718 40 30 KFEBRN C=CCN1c2ccccc2/C(=c2\sc3n(c2=O)[C@H](c2ccc(OC)c(OC)c2)C(C(=O)OCC)=C(C)N=3)C1=O ZINC000000630727 551504839 /nfs/dbraw/zinc/50/48/39/551504839.db2.gz XQPTVXCGVHIBHO-SBXHHDGASA-N 0 0 545.617 2.718 40 30 KFEBRN C=CCN1c2ccccc2/C(=c2\sc3n(c2=O)[C@@H](c2ccc(OC)cc2)C(C(=O)OCC)=C(C)N=3)C1=O ZINC000000631704 551505395 /nfs/dbraw/zinc/50/53/95/551505395.db2.gz KUXRRQROVZQUQQ-AYWGPLOBSA-N 0 0 515.591 2.710 40 30 KFEBRN C=CCN1c2ccccc2/C(=c2\sc3n(c2=O)[C@H](c2ccc(OC)cc2)C(C(=O)OCC)=C(C)N=3)C1=O ZINC000000631706 193859714 /nfs/dbraw/zinc/85/97/14/193859714.db2.gz KUXRRQROVZQUQQ-ZHHPLPSFSA-N 0 0 515.591 2.710 40 30 KFEBRN CS(=O)(=O)OCCN(CCOS(C)(=O)=O)c1ccc(/C=N/c2cccc(Br)c2)cc1 ZINC000001655569 551688016 /nfs/dbraw/zinc/68/80/16/551688016.db2.gz DQOXBVRRMHMWAM-RCCKNPSSSA-N 0 0 519.439 2.959 40 30 KFEBRN Cc1c(/C=N/N=c2/[nH][nH]/c(=N\N=C\c3c(C)n(C)n(-c4ccccc4)c3=O)c3ccccc32)c(=O)n(-c2ccccc2)n1C ZINC000001680511 551688876 /nfs/dbraw/zinc/68/88/76/551688876.db2.gz KLYRMTOMIBUROV-ZXHXELASSA-N 0 0 586.660 2.961 40 30 KFEBRN O=[N+]([O-])c1cc(S(=O)(=O)OCC#CCOS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)ccc1Cl ZINC000001736618 551690892 /nfs/dbraw/zinc/69/08/92/551690892.db2.gz GWCWQFFFRJTUKM-UHFFFAOYSA-N 0 0 525.300 2.924 40 30 KFEBRN NOS(=O)(=O)CCC[n+]1c(C=C(N)C=C2Sc3ccccc3N2CCCS(=O)(=O)[O-])sc2ccccc21 ZINC000002061911 551742940 /nfs/dbraw/zinc/74/29/40/551742940.db2.gz GIBGJVNSRIUDAG-KQWNVCNZSA-O 0 0 583.759 2.830 40 30 KFEBRN Cn1c2nc(N=NC=CCc3ccc([N+](=O)[O-])o3)n(C[C@H](O)COc3ccc(Cl)cc3Cl)c2c(=O)[nH]c1=O ZINC000003062374 552282913 /nfs/dbraw/zinc/28/29/13/552282913.db2.gz SCKCFARYSOBWBL-XFYMDACLSA-N 0 0 564.342 2.782 40 30 KFEBRN COc1ccc(Br)cc1/C=N/NC(=S)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC000003253415 552323641 /nfs/dbraw/zinc/32/36/41/552323641.db2.gz ICBPRMHCOAGHLH-FYJGNVAPSA-N 0 0 513.439 2.799 40 30 KFEBRN O=C(Oc1ccc(/C=N/NC(=S)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)cc1)c1cccnc1 ZINC000003259082 552325045 /nfs/dbraw/zinc/32/50/45/552325045.db2.gz DUAWMIUCRJWLPN-WGOQTCKBSA-N 0 0 525.612 2.642 40 30 KFEBRN C=CCn1c(Cl)c(/C=N/NC(=S)NC[C@@H]2CCCO2)s/c1=N/S(=O)(=O)c1cccs1 ZINC000003350512 552367167 /nfs/dbraw/zinc/36/71/67/552367167.db2.gz BWGVGQARHAXYCQ-RQTSDFAYSA-N 0 0 506.100 2.717 40 30 KFEBRN N#Cc1ccccc1S(=O)(=O)Nc1ccc2n(c1=O)C[C@H]1C[C@@H]2CN(C(=O)COc2ccccc2)C1 ZINC000003841445 291769260 /nfs/dbraw/zinc/76/92/60/291769260.db2.gz IRXHQZRXDNMEAE-AZUAARDMSA-N 0 0 504.568 2.545 40 30 biogenic,in-vitro KFEBRN COc1ccc(C(=O)N2C[C@H]3C[C@@H](C2)Cn2c3ccc(NS(=O)(=O)c3ccccc3C#N)c2=O)cc1 ZINC000003841447 552420040 /nfs/dbraw/zinc/42/00/40/552420040.db2.gz ITYDXOCAKCKCNK-FXAWDEMLSA-N 0 0 504.568 2.789 40 30 biogenic,in-vitro KFEBRN CCCC[C@@H](C)C=C(C)C=C(C)C(=O)NC1=C[C@@](O)(C=CC=CC=CC(=O)NC2=C(O)CCC2=O)[C@@H]2O[C@@H]2C1=O ZINC000003930615 1059782288 /nfs/dbraw/zinc/78/22/88/1059782288.db2.gz XIZGHTZLVCHYJN-MVTGTTCWSA-N 0 0 550.652 2.872 40 30 KFEBRN C#CCNC(=O)C[C@@H]1c2nc(NC(=O)c3ccc(OC)cc3)sc2C[C@@H]2[C@](C)(CO)[C@H](O)CC[C@@]12C ZINC000004222272 552450712 /nfs/dbraw/zinc/45/07/12/552450712.db2.gz SHMIZPHBKCCPTD-BWSFKYGTSA-N 0 0 511.644 2.959 40 30 biogenic,in-vitro KFEBRN COc1ccc(C(=O)Nc2ccc3n(c2=O)C[C@H]2C[C@@H]3CN(S(=O)(=O)c3ccccc3C#N)C2)cc1 ZINC000004236287 552451783 /nfs/dbraw/zinc/45/17/83/552451783.db2.gz HPAOHAMBJHONKY-FXAWDEMLSA-N 0 0 504.568 2.789 40 30 biogenic,in-vitro KFEBRN C=CCNC(=O)O[C@@H]1CC[C@]2(C)[C@@H](CC[C@@H](O)[C@H]2CC(=O)NCc2ccc3c(c2)OCO3)[C@]1(C)CO ZINC000004236573 291751932 /nfs/dbraw/zinc/75/19/32/291751932.db2.gz DRPSLYNXJKCNAD-YWBXUMBASA-N 0 0 502.608 2.888 40 30 biogenic,in-vitro KFEBRN C=CCNC(=O)O[C@@H]1CC[C@@]2(C)[C@H](CC(=O)NCc3ccc4c(c3)OCO4)[C@H](O)CC[C@@H]2[C@]1(C)CO ZINC000004236574 291751924 /nfs/dbraw/zinc/75/19/24/291751924.db2.gz DRPSLYNXJKCNAD-LWPPXWBQSA-N 0 0 502.608 2.888 40 30 biogenic,in-vitro KFEBRN C=C1C(=O)[C@]23[C@H](OC(C)=O)[C@H]1C[C@H](OC(C)=O)[C@H]2[C@@]12CCC[C@@](C)(CO[C@H]1OC(C)=O)[C@H]2C[C@H]3OC(C)=O ZINC000004268213 552455112 /nfs/dbraw/zinc/45/51/12/552455112.db2.gz PKAQCABUOJRSOE-MRHIPFTMSA-N 0 0 532.586 2.659 40 30 KFEBRN C=C1C(=O)[C@]23[C@H](OC(C)=O)[C@H]1C[C@H](OC(C)=O)[C@H]2[C@@]12CCC[C@@](C)(CO[C@H]1OC)[C@H]2C[C@H]3OC(C)=O ZINC000004268217 552455020 /nfs/dbraw/zinc/45/50/20/552455020.db2.gz NBQICXNAIRPEHX-SJGGWTDNSA-N 0 0 504.576 2.742 40 30 KFEBRN C=C1C(=O)[C@]23[C@H](OC(C)=O)[C@H]1C[C@H](OC(C)=O)[C@H]2[C@@]12CCC[C@@](C)([C@H](OC(C)=O)OC1)[C@H]2C[C@@H]3OC ZINC000004268234 552455128 /nfs/dbraw/zinc/45/51/28/552455128.db2.gz XOXTWFJKCXPOAK-FRFRRHDRSA-N 0 0 504.576 2.742 40 30 KFEBRN CC(=O)OC[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)C(=CN=Nc1ccccc1)NNc1ccccc1 ZINC000004721331 552472796 /nfs/dbraw/zinc/47/27/96/552472796.db2.gz MLNCNATWGIZADS-YYFWRUOFSA-N 0 0 598.609 2.842 40 30 KFEBRN Cc1c(/C=N\N=c2\[nH][nH]/c(=N\N=C/c3c(C)n(C)n(-c4ccccc4)c3=O)c3ccccc32)c(=O)n(-c2ccccc2)n1C ZINC000004946398 552490068 /nfs/dbraw/zinc/49/00/68/552490068.db2.gz KLYRMTOMIBUROV-NBDJWBGESA-N 0 0 586.660 2.961 40 30 KFEBRN CCOC(=O)CC[C@H](NC(=O)c1ccc(N(CC[C@@H]2CO2)S(=O)(=O)c2ccc(C)cc2)cc1)C(=O)OCC ZINC000004974685 552490877 /nfs/dbraw/zinc/49/08/77/552490877.db2.gz CYNSYJVXNPSCMX-VWNXMTODSA-N 0 0 546.642 2.984 40 30 KFEBRN CCOC(=O)CC[C@@H](NC(=O)c1ccc(N(CC[C@@H]2CO2)S(=O)(=O)c2ccc(C)cc2)cc1)C(=O)OCC ZINC000004974686 552490888 /nfs/dbraw/zinc/49/08/88/552490888.db2.gz CYNSYJVXNPSCMX-ISKFKSNPSA-N 0 0 546.642 2.984 40 30 KFEBRN CS(=O)(=O)O[C@H]1[C@@H](OC(=O)c2ccccc2)O[C@@H](COC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1 ZINC000005341341 552497690 /nfs/dbraw/zinc/49/76/90/552497690.db2.gz VZIXNTWOWQCRAQ-IILZIBOQSA-N 0 0 540.546 2.996 40 30 KFEBRN CS(=O)(=O)O[C@@H]1[C@@H](OC(=O)c2ccccc2)O[C@@H](COC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1 ZINC000005341343 552497644 /nfs/dbraw/zinc/49/76/44/552497644.db2.gz VZIXNTWOWQCRAQ-NBCVKUGOSA-N 0 0 540.546 2.996 40 30 KFEBRN CS(=O)(=O)O[C@H]1[C@@H](OC(=O)c2ccccc2)O[C@@H](COC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1 ZINC000005341345 552497731 /nfs/dbraw/zinc/49/77/31/552497731.db2.gz VZIXNTWOWQCRAQ-OJXRJRMYSA-N 0 0 540.546 2.996 40 30 KFEBRN CS(=O)(=O)O[C@@H]1[C@@H](OC(=O)c2ccccc2)O[C@@H](COC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1 ZINC000005341349 552497623 /nfs/dbraw/zinc/49/76/23/552497623.db2.gz VZIXNTWOWQCRAQ-RNLGNXJRSA-N 0 0 540.546 2.996 40 30 KFEBRN COc1ccc(S(=O)(=O)N2C[C@@H]3C[C@H](C2)c2ccc(NC(=O)c4ccc(C#N)cc4)c(=O)n2C3)cc1 ZINC000005413657 291766402 /nfs/dbraw/zinc/76/64/02/291766402.db2.gz XRNPNXSYPCALSW-AZUAARDMSA-N 0 0 504.568 2.789 40 30 biogenic,in-vitro KFEBRN CC(C)=CC=C1C(=O)c2ccccc2C(=O)C1O[C@H]1O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O ZINC000005430621 552501678 /nfs/dbraw/zinc/50/16/78/552501678.db2.gz FMNSNVSJQBSOAM-UKWJTHFESA-N 0 0 572.563 2.776 40 30 KFEBRN CC(C)=CC=C1C(=O)c2ccccc2C(=O)C1O[C@@H]1O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O ZINC000005430622 552501732 /nfs/dbraw/zinc/50/17/32/552501732.db2.gz FMNSNVSJQBSOAM-KIBWQBKSSA-N 0 0 572.563 2.776 40 30 KFEBRN CC(C)=CC=C1C(=O)c2ccccc2C(=O)C1O[C@H]1O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000005430624 552501754 /nfs/dbraw/zinc/50/17/54/552501754.db2.gz FMNSNVSJQBSOAM-DQPHOHOGSA-N 0 0 572.563 2.776 40 30 KFEBRN CC(C)=CC=C1C(=O)c2ccccc2C(=O)C1O[C@@H]1O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000005430625 552501704 /nfs/dbraw/zinc/50/17/04/552501704.db2.gz FMNSNVSJQBSOAM-MEGPWYFRSA-N 0 0 572.563 2.776 40 30 KFEBRN CC(=O)OC[C@H]1O[C@@H](n2c3c(cc(C#N)c2=S)CCCCC3)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O ZINC000005537048 552504176 /nfs/dbraw/zinc/50/41/76/552504176.db2.gz HXMIHEPUGIHUHJ-LYCSZFELSA-N 0 0 534.587 2.614 40 30 KFEBRN CC(=O)OC[C@@H]1O[C@@H](n2c3c(cc(C#N)c2=S)CCCCC3)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@H]1OC(C)=O ZINC000005537052 552504165 /nfs/dbraw/zinc/50/41/65/552504165.db2.gz HXMIHEPUGIHUHJ-QCCYXRBGSA-N 0 0 534.587 2.614 40 30 KFEBRN CC(=O)OC[C@H]1O[C@@H](n2c3c(cc(C#N)c2=S)CCCCC3)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000005537058 552504147 /nfs/dbraw/zinc/50/41/47/552504147.db2.gz HXMIHEPUGIHUHJ-URYYLNOGSA-N 0 0 534.587 2.614 40 30 KFEBRN CC(=O)OC[C@@H]1O[C@@H](n2c3c(cc(C#N)c2=S)CCCCC3)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000005537064 552504137 /nfs/dbraw/zinc/50/41/37/552504137.db2.gz HXMIHEPUGIHUHJ-VHJOFQCFSA-N 0 0 534.587 2.614 40 30 KFEBRN CC(=O)O[C@@H]1CO[C@H](n2c(N)c(C#N)c(-c3ccccc3)c(C#N)c2=S)[C@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000005540569 552504361 /nfs/dbraw/zinc/50/43/61/552504361.db2.gz MGXBCCDROORAHJ-LPOZWGFCSA-N 0 0 510.528 2.534 40 30 KFEBRN CC(=O)O[C@H]1[C@@H](OC(C)=O)[C@@H](n2c(N)c(C#N)c(-c3ccccc3)c(C#N)c2=S)OC[C@@H]1OC(C)=O ZINC000005540574 552504399 /nfs/dbraw/zinc/50/43/99/552504399.db2.gz MGXBCCDROORAHJ-NQAVQENRSA-N 0 0 510.528 2.534 40 30 KFEBRN CC(=O)O[C@@H]1CO[C@@H](n2c(N)c(C#N)c(-c3ccccc3)c(C#N)c2=S)[C@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000005540581 552504390 /nfs/dbraw/zinc/50/43/90/552504390.db2.gz MGXBCCDROORAHJ-KTDPBYDISA-N 0 0 510.528 2.534 40 30 KFEBRN CC(=O)O[C@@H]1[C@H](OC(C)=O)[C@@H](OC(C)=O)CO[C@H]1n1c(N)c(C#N)c(-c2ccccc2)c(C#N)c1=S ZINC000005540586 552504387 /nfs/dbraw/zinc/50/43/87/552504387.db2.gz MGXBCCDROORAHJ-BWKHYTDRSA-N 0 0 510.528 2.534 40 30 KFEBRN 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553690623 /nfs/dbraw/zinc/69/06/23/553690623.db2.gz RSSJAWQURRUEQB-ARKHJJSZSA-N 0 0 500.636 2.984 40 30 KFEBRN COC(=O)[C@H]1C[C@H](O)CN1C(=O)CO/N=C1/C=C[C@@]2(C)C(=C1)CC[C@H]1[C@@H]3CC[C@](C)(O)[C@@]3(C)CC[C@@H]12 ZINC000085893539 553690568 /nfs/dbraw/zinc/69/05/68/553690568.db2.gz RSSJAWQURRUEQB-CGZIZZTASA-N 0 0 500.636 2.984 40 30 KFEBRN C[C@]12C[C@H](O)[C@H]3[C@@H](CCC4=C/C(=N\OCC(=O)NCCc5ccc(O)cc5)CC[C@@]43C)[C@@H]1CC[C@]2(O)C(=O)CO ZINC000085902434 553691362 /nfs/dbraw/zinc/69/13/62/553691362.db2.gz RJEHFICEWKFKNX-QPVPWQRHSA-N 0 0 554.684 2.650 40 30 KFEBRN CCOC(=O)[C@@H](Cc1ccc(O)cc1)NC(=O)CO/N=C1\C=C2CC[C@H]3[C@@H]4CC[C@](O)(C(=O)CO)[C@@]4(C)C[C@H](O)[C@@H]3[C@@]2(C)CC1 ZINC000085907454 553692042 /nfs/dbraw/zinc/69/20/42/553692042.db2.gz KTYRLEPPWJJZSP-XYWUUVLDSA-N 0 0 626.747 2.581 40 30 KFEBRN CCOC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)CO/N=C1\C=C2CC[C@H]3[C@@H]4CC[C@](O)(C(=O)CO)[C@@]4(C)C[C@H](O)[C@@H]3[C@@]2(C)CC1 ZINC000085907457 553691944 /nfs/dbraw/zinc/69/19/44/553691944.db2.gz 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/nfs/dbraw/zinc/80/60/41/562806041.db2.gz SIFKNECWLVONIH-INIZCTEOSA-N 0 0 522.471 2.879 40 30 in-vitro KFEBRN C=CCNC1=C2C[C@H](C)C[C@@H](OC)[C@H](O)[C@H](C)/C=C(/C)[C@@H](OC(N)=O)[C@@H](OC)C=CC=C(C)C(=O)NC(=CC1=O)C2=O ZINC000100006250 554178321 /nfs/dbraw/zinc/17/83/21/554178321.db2.gz AYUNIORJHRXIBJ-SPVIYHANSA-N 0 0 585.698 2.538 40 30 in-vitro KFEBRN C=C1[C@H](O)[C@H]2/C=C\C[C@H](C)C(=O)[C@](C)(O)C=C[C@@H](OC(C)=O)[C@]23C(=O)N[C@H](Cc2ccccc2)[C@@H]3[C@@H]1C ZINC000100006444 554178529 /nfs/dbraw/zinc/17/85/29/554178529.db2.gz SDZRWUKZFQQKKV-YFQGFLRWSA-N 0 0 507.627 2.917 40 30 in-vitro KFEBRN Cc1ccc(S(=O)(=O)OCCOCCOCCOCCOCCOCCOCCC(=O)OC(C)(C)C)cc1 ZINC000100008387 554179783 /nfs/dbraw/zinc/17/97/83/554179783.db2.gz HMGVIAOGIVRIFP-UHFFFAOYSA-N 0 0 564.694 2.532 40 30 KFEBRN Cc1ccc(S(=O)(=O)OCCOCCOCCOCCOCCOCCOCCOS(=O)(=O)c2ccc(C)cc2)cc1 ZINC000100076782 554204795 /nfs/dbraw/zinc/20/47/95/554204795.db2.gz UQNONDOAUSICGF-UHFFFAOYSA-N 0 0 634.766 2.514 40 30 KFEBRN CCN(CC)C(=O)[C@@H]1CCCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2NN=C2c3ccccc3N(C)C2=O)C1 ZINC000100187267 554243300 /nfs/dbraw/zinc/24/33/00/554243300.db2.gz XPKMHHFCURNGJI-BUXPXJLHSA-N 0 0 542.618 2.657 40 30 KFEBRN CCN(CC)C(=O)[C@H]1CCCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2NN=C2c3ccccc3N(C)C2=O)C1 ZINC000100187272 554243275 /nfs/dbraw/zinc/24/32/75/554243275.db2.gz XPKMHHFCURNGJI-TVLIFYJGSA-N 0 0 542.618 2.657 40 30 KFEBRN CCOC(=O)[C@H]1/C(=N/NS(=O)(=O)c2ccc(C)cc2)C[C@](C)(O)[C@@H](C(=O)OCC)[C@H]1c1ccc(OC)c(O)c1 ZINC000100239158 554259643 /nfs/dbraw/zinc/25/96/43/554259643.db2.gz HQHWFPSAJVRMRN-JKOVDPOLSA-N 0 0 562.641 2.641 40 30 KFEBRN CCOC(=O)[C@@H]1/C(=N/NS(=O)(=O)c2ccc(C)cc2)C[C@](C)(O)[C@@H](C(=O)OCC)[C@H]1c1ccc(OC)c(O)c1 ZINC000100239161 554259629 /nfs/dbraw/zinc/25/96/29/554259629.db2.gz HQHWFPSAJVRMRN-VTMKDEOYSA-N 0 0 562.641 2.641 40 30 KFEBRN CCOC(=O)[C@H]1/C(=N/NS(=O)(=O)c2ccc(C)cc2)C[C@](C)(O)[C@@H](C(=O)OCC)[C@@H]1c1ccc(OC)c(O)c1 ZINC000100239163 554259622 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CCOC(=O)[C@@H]1/C(=N/NS(=O)(=O)c2ccc(C)cc2)C[C@](C)(O)[C@@H](C(=O)OCC)[C@@H]1c1ccc(N(C)C)cc1 ZINC000100239201 554259650 /nfs/dbraw/zinc/25/96/50/554259650.db2.gz LLYBBIGZKVTSAO-ZSMDELOCSA-N 0 0 559.685 2.992 40 30 KFEBRN CN1c2ccccc2C(=NNc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])cc3)CC2)C1=O ZINC000100260676 554265517 /nfs/dbraw/zinc/26/55/17/554265517.db2.gz HHXSXVLCZVZVIK-PNHLSOANSA-N 0 0 565.568 2.807 40 30 KFEBRN CN1c2ccccc2C(=NNc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCN(c3ccccc3)CC2)C1=O ZINC000100260687 554265505 /nfs/dbraw/zinc/26/55/05/554265505.db2.gz FXQMAYAIPICBCL-PNHLSOANSA-N 0 0 520.571 2.898 40 30 KFEBRN Cn1ccnc1Sc1ccc(C=NNc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCC(C(N)=O)CC2)cc1[N+](=O)[O-] ZINC000100269142 554268472 /nfs/dbraw/zinc/26/84/72/554268472.db2.gz XVQJXHKQMFMKIG-VULFUBBASA-N 0 0 588.628 2.720 40 30 KFEBRN Cn1ccnc1Sc1ccc(C=NNc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCN(C)CC2)cc1[N+](=O)[O-] ZINC000100269165 554268535 /nfs/dbraw/zinc/26/85/35/554268535.db2.gz FJTYGLFYKRFKQI-BUVRLJJBSA-N 0 0 560.618 2.770 40 30 KFEBRN Cn1ccnc1Sc1ccc(C=NNc2ccc([N+](=O)[O-])cc2S(=O)(=O)N2CCOCC2)cc1[N+](=O)[O-] ZINC000100269177 554268515 /nfs/dbraw/zinc/26/85/15/554268515.db2.gz UYIIAEYZVQXTSL-OEAKJJBVSA-N 0 0 547.575 2.855 40 30 KFEBRN COc1ccc(CCNC2=C(OC)C(=O)C(NCCc3ccc(OC)c(OC)c3)=C(OC)C2=O)cc1OC ZINC000100396298 554370215 /nfs/dbraw/zinc/37/02/15/554370215.db2.gz ZVJUSJVRIKBAAR-UHFFFAOYSA-N 0 0 526.586 2.553 40 30 KFEBRN NC(=O)C1CCN(S(=O)(=O)c2cc([N+](=O)[O-])ccc2[N-][NH+]=Cc2cc([N+](=O)[O-])ccc2N2CCCCC2)CC1 ZINC000100421740 554385729 /nfs/dbraw/zinc/38/57/29/554385729.db2.gz MLMPFXOSJCUQQD-WGOQTCKBSA-N 0 0 559.605 2.825 40 30 KFEBRN O=C1NC(=O)c2cc(-c3ccc(C=Nn4cnnc4N=NCc4ccc(-c5ccc6c(c5)C(=O)NC6=O)o4)o3)ccc21 ZINC000100437977 554393060 /nfs/dbraw/zinc/39/30/60/554393060.db2.gz TXGNFFOFXVNDSH-UWVGOQAPSA-N 0 0 560.486 2.894 40 30 KFEBRN O=[N+]([O-])c1ccc(N2CCCC2)c(/C=N/c2ccc(N3CCOCC3)c(S(=O)(=O)N3CCOCC3)c2)c1 ZINC000100475862 554400868 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CC(=O)N[C@@H]1[C@@H](Oc2ccc(C(=O)/C=C/c3ccccc3)cc2)O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC000100849131 554492152 /nfs/dbraw/zinc/49/21/52/554492152.db2.gz JSSYUFYKKJGNOD-ZHDXTMENSA-N 0 0 553.564 2.618 40 30 KFEBRN COc1ccc(O)c(C=NN=C(NN=Cc2cc(OC)ccc2O)NN=Cc2cc(OC)ccc2O)c1 ZINC000100930579 554527290 /nfs/dbraw/zinc/52/72/90/554527290.db2.gz NEWALAHUBXETOF-BBROENKCSA-N 0 0 506.519 2.767 40 30 KFEBRN Cc1ccc(S(=O)(=O)OC[C@H]2O[C@@H](COC(=O)c3ccccc3)[C@@H](OC(=O)c3ccccc3)[C@@H]2O)cc1 ZINC000101132334 554650580 /nfs/dbraw/zinc/65/05/80/554650580.db2.gz BVDWOAPOABTRBJ-ZFFYZDHPSA-N 0 0 526.563 2.911 40 30 KFEBRN CS(=O)(=O)O[C@H]1[C@@H](OC(=O)c2ccccc2)OC[C@@H](OC(=O)c2ccccc2)[C@H]1OC(=O)c1ccccc1 ZINC000101136704 554651676 /nfs/dbraw/zinc/65/16/76/554651676.db2.gz MBBLDWQNHWZAHE-DVAKJLRASA-N 0 0 540.546 2.996 40 30 KFEBRN CS(=O)(=O)O[C@H]1[C@@H](OC(=O)c2ccccc2)OC[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1 ZINC000101136706 554651670 /nfs/dbraw/zinc/65/16/70/554651670.db2.gz MBBLDWQNHWZAHE-QSGNWFJVSA-N 0 0 540.546 2.996 40 30 KFEBRN COc1ccc(CCN2C(=NC(=O)Cc3ccc(OC)c(OC)c3)S[C@H]3CS(=O)(=O)C[C@H]32)cc1 ZINC000101302897 554713814 /nfs/dbraw/zinc/71/38/14/554713814.db2.gz KQANKBAJZFRKMG-UMOGQOQMSA-N 0 0 504.630 2.595 40 30 KFEBRN COc1ccc(CCN2C(=NC(=O)Cc3ccc(OC)c(OC)c3)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000101302900 554713781 /nfs/dbraw/zinc/71/37/81/554713781.db2.gz KQANKBAJZFRKMG-XZVAGURUSA-N 0 0 504.630 2.595 40 30 KFEBRN COc1ccc(CCN2C(=NC(=O)Cc3ccc(OC)c(OC)c3)S[C@@H]3CS(=O)(=O)C[C@H]32)cc1 ZINC000101302903 554713811 /nfs/dbraw/zinc/71/38/11/554713811.db2.gz KQANKBAJZFRKMG-FVEOKJNXSA-N 0 0 504.630 2.595 40 30 KFEBRN COc1ccc(CCN2C(=NC(=O)Cc3ccc(OC)c(OC)c3)S[C@@H]3CS(=O)(=O)C[C@@H]32)cc1 ZINC000101302908 554713977 /nfs/dbraw/zinc/71/39/77/554713977.db2.gz KQANKBAJZFRKMG-BKYAXRRUSA-N 0 0 504.630 2.595 40 30 KFEBRN COc1ccc(OC)c(N2C(=NC(=O)Cc3ccc(OC)c(OC)c3)S[C@H]3CS(=O)(=O)C[C@H]32)c1 ZINC000101304683 554714406 /nfs/dbraw/zinc/71/44/06/554714406.db2.gz MFEVAZAYWCRNSA-LQYVUYEFSA-N 0 0 506.602 2.565 40 30 KFEBRN COc1ccc(OC)c(N2C(=NC(=O)Cc3ccc(OC)c(OC)c3)S[C@H]3CS(=O)(=O)C[C@@H]32)c1 ZINC000101304686 554714677 /nfs/dbraw/zinc/71/46/77/554714677.db2.gz MFEVAZAYWCRNSA-YQUDVVSFSA-N 0 0 506.602 2.565 40 30 KFEBRN COc1ccc(OC)c(N2C(=NC(=O)Cc3ccc(OC)c(OC)c3)S[C@@H]3CS(=O)(=O)C[C@H]32)c1 ZINC000101304689 554714655 /nfs/dbraw/zinc/71/46/55/554714655.db2.gz MFEVAZAYWCRNSA-AYSAVRDBSA-N 0 0 506.602 2.565 40 30 KFEBRN COc1ccc(OC)c(N2C(=NC(=O)Cc3ccc(OC)c(OC)c3)S[C@@H]3CS(=O)(=O)C[C@@H]32)c1 ZINC000101304693 554714657 /nfs/dbraw/zinc/71/46/57/554714657.db2.gz MFEVAZAYWCRNSA-BHIIIBOVSA-N 0 0 506.602 2.565 40 30 KFEBRN COc1cc(OC)c(N2/C(=N\C(=O)CCNC(=O)OC(C)(C)C)S[C@H]3CS(=O)(=O)C[C@H]32)cc1Cl ZINC000101310290 554717614 /nfs/dbraw/zinc/71/76/14/554717614.db2.gz KVPWAOHLOYRLFQ-VFMJBYFLSA-N 0 0 534.056 2.873 40 30 KFEBRN COc1cc(OC)c(N2/C(=N\C(=O)CCNC(=O)OC(C)(C)C)S[C@H]3CS(=O)(=O)C[C@@H]32)cc1Cl ZINC000101310294 554717588 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CC(N=Nc1nc(N2CCOCC2)nc(N2CCOCC2)n1)c1ccc(NC(=O)c2ccccc2)cc1 ZINC000408724758 1059564929 /nfs/dbraw/zinc/56/49/29/1059564929.db2.gz ALXDOZAIHRYRJN-ZCTHSVRISA-N 0 0 502.579 2.633 40 30 KFEBRN O=C(Oc1cccc(CN=Nc2nc(N3CCOCC3)nc(N3CCOCC3)n2)c1)c1ccccc1I ZINC000408726091 1059564603 /nfs/dbraw/zinc/56/46/03/1059564603.db2.gz PQFZAPCHQXGHIB-WPWMEQJKSA-N 0 0 615.432 2.815 40 30 KFEBRN Ic1ccc(-c2ccc(C=NN=c3nc(N4CCOCC4)[nH]c(N4CCOCC4)n3)o2)cc1 ZINC000408731581 1059567702 /nfs/dbraw/zinc/56/77/02/1059567702.db2.gz NTKKGYVVAKVCPG-IWIPYMOSSA-N 0 0 561.384 2.855 40 30 KFEBRN COc1ccc(CN=Nc2nc3nonc3nc2Nc2ccc(I)cc2)cc1[N+](=O)[O-] ZINC000408733539 1059566906 /nfs/dbraw/zinc/56/69/06/1059566906.db2.gz ZBGWIYFWXKYIQG-AWQFTUOYSA-N 0 0 532.258 2.568 40 30 KFEBRN CCOc1c(I)cc(CN=Nc2ncc(F)c(N3CCOCC3)n2)cc1OC ZINC000408735457 1059567090 /nfs/dbraw/zinc/56/70/90/1059567090.db2.gz QEGSPGKSINTYSF-LSHDLFTRSA-N 0 0 501.300 2.910 40 30 KFEBRN CCOc1cc(CN=Nc2ncc(F)c(N3CCOCC3)n2)cc(I)c1OC ZINC000408736011 1059566840 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ARUUEQXFCVHLER-HYARGMPZSA-N 0 0 505.530 2.992 40 30 KFEBRN COc1cc(/C=N/NS(=O)(=O)c2ccc(C)cc2)ccc1OS(=O)(=O)c1ccc([N+](=O)[O-])cc1 ZINC000408765378 1059570694 /nfs/dbraw/zinc/57/06/94/1059570694.db2.gz PFNRXHCKFIRYTO-HYARGMPZSA-N 0 0 505.530 2.992 40 30 KFEBRN C#CCOc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(F)cc2)C(C(=O)OCC)=C(C)N=3)cc1OC ZINC000408802039 1059572728 /nfs/dbraw/zinc/57/27/28/1059572728.db2.gz YGBQTKWDPQYTKN-DLBLZJNESA-N 0 0 506.555 2.958 40 30 KFEBRN C#CCOc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(F)cc2)C(C(=O)OCC)=C(C)N=3)cc1OC ZINC000408802040 1059572894 /nfs/dbraw/zinc/57/28/94/1059572894.db2.gz YGBQTKWDPQYTKN-FCKOQQNDSA-N 0 0 506.555 2.958 40 30 KFEBRN C#CCOc1c(/C=c2\sc3n(c2=O)[C@H](c2ccc(F)cc2)C(C(=O)OCC)=C(C)N=3)cccc1OC ZINC000408805907 1059572039 /nfs/dbraw/zinc/57/20/39/1059572039.db2.gz IFKUOSIVJLAINZ-FQWPPLDYSA-N 0 0 506.555 2.958 40 30 KFEBRN C#CCOc1c(/C=c2\sc3n(c2=O)[C@@H](c2ccc(F)cc2)C(C(=O)OCC)=C(C)N=3)cccc1OC ZINC000408805908 1059571999 /nfs/dbraw/zinc/57/19/99/1059571999.db2.gz IFKUOSIVJLAINZ-RNHBDSLOSA-N 0 0 506.555 2.958 40 30 KFEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC)c3OCC#N)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000408808159 1059573373 /nfs/dbraw/zinc/57/33/73/1059573373.db2.gz DXGGDLDROFXJPO-FBHQFGEZSA-N 0 0 507.543 2.848 40 30 KFEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC)c3OCC#N)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000408808162 1059573392 /nfs/dbraw/zinc/57/33/92/1059573392.db2.gz DXGGDLDROFXJPO-PZHBDVNGSA-N 0 0 507.543 2.848 40 30 KFEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC#N)c(OC)c3)c(=O)n2[C@H]1c1ccc(F)cc1 ZINC000408817127 1059015386 /nfs/dbraw/zinc/01/53/86/1059015386.db2.gz VHYTVRBQDFKWRE-CVGPFBNFSA-N 0 0 507.543 2.848 40 30 KFEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC#N)c(OC)c3)c(=O)n2[C@@H]1c1ccc(F)cc1 ZINC000408817135 1059001906 /nfs/dbraw/zinc/00/19/06/1059001906.db2.gz VHYTVRBQDFKWRE-LJJBLSSYSA-N 0 0 507.543 2.848 40 30 KFEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OCC#N)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000408818332 1059574023 /nfs/dbraw/zinc/57/40/23/1059574023.db2.gz ZZDJMVPFTKVDRL-DLBLZJNESA-N 0 0 519.579 2.718 40 30 KFEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OCC#N)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000408818339 1059015267 /nfs/dbraw/zinc/01/52/67/1059015267.db2.gz ZZDJMVPFTKVDRL-FCKOQQNDSA-N 0 0 519.579 2.718 40 30 KFEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OCC#N)c(=O)n2[C@@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000408818868 1059015579 /nfs/dbraw/zinc/01/55/79/1059015579.db2.gz QVRTVPDRDSEASH-DLBLZJNESA-N 0 0 549.605 2.726 40 30 KFEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OCC#N)c(=O)n2[C@H]1c1cc(OC)c(OC)c(OC)c1 ZINC000408818873 1059574091 /nfs/dbraw/zinc/57/40/91/1059574091.db2.gz QVRTVPDRDSEASH-FCKOQQNDSA-N 0 0 549.605 2.726 40 30 KFEBRN COc1c(I)cc(C=NN2C(=S)N=NC2C)cc1I ZINC000408847875 1059577742 /nfs/dbraw/zinc/57/77/42/1059577742.db2.gz WLLHSUFAMUMFJJ-LHHJGKSTSA-N 0 0 500.103 2.975 40 30 KFEBRN C=CCOc1ccc([C@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4ccc(N5CCOCC5)o4)c(=O)n32)cc1 ZINC000408850849 1059016286 /nfs/dbraw/zinc/01/62/86/1059016286.db2.gz SFFWTJNGCUGKPT-BDPRQDHOSA-N 0 0 535.622 2.793 40 30 KFEBRN C=CCOc1ccc([C@@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4ccc(N5CCOCC5)o4)c(=O)n32)cc1 ZINC000408850850 1059016587 /nfs/dbraw/zinc/01/65/87/1059016587.db2.gz SFFWTJNGCUGKPT-YPKVGQCMSA-N 0 0 535.622 2.793 40 30 KFEBRN C/N=C1/S/C(=C\c2cc(I)c(OCC(=O)OC)c(I)c2)C(=O)N1C ZINC000408858911 1059002002 /nfs/dbraw/zinc/00/20/02/1059002002.db2.gz UJURVIHKPAMDBV-SMOZIMNHSA-N 0 0 572.162 2.980 40 30 KFEBRN CCOC(=O)COc1c(I)cc(C=NN2C(=S)N=NC2CC)cc1OCC ZINC000408860751 1059578365 /nfs/dbraw/zinc/57/83/65/1059578365.db2.gz DHWFJZIAQGUOPJ-DJKKODMXSA-N 0 0 504.350 2.957 40 30 KFEBRN COc1ccc(/C=N/NS(=O)(=O)c2ccc(C)cc2)cc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000408881963 1059579463 /nfs/dbraw/zinc/57/94/63/1059579463.db2.gz PGWGBKAGPLWVSK-HYARGMPZSA-N 0 0 505.530 2.992 40 30 KFEBRN COc1cc(/C=N/NS(=O)(=O)c2ccc(C)cc2)ccc1OS(=O)(=O)c1ccccc1[N+](=O)[O-] ZINC000408885084 1059579364 /nfs/dbraw/zinc/57/93/64/1059579364.db2.gz ZYCMQBBRNRTEBI-HYARGMPZSA-N 0 0 505.530 2.992 40 30 KFEBRN CCOc1cc(/C=N/NC(N)=S)cc(I)c1OS(=O)(=O)c1ccccc1 ZINC000408887089 1059579484 /nfs/dbraw/zinc/57/94/84/1059579484.db2.gz LYKHRCHASCGXBL-VXLYETTFSA-N 0 0 505.359 2.625 40 30 KFEBRN C#CCOc1c(I)cc(C=C2C(=O)NC(=S)N(CC=C)C2=O)cc1I ZINC000408902265 1059580837 /nfs/dbraw/zinc/58/08/37/1059580837.db2.gz GPAHMSGFGUTOJE-YRNVUSSQSA-N 0 0 578.169 2.721 40 30 KFEBRN C=CCN1C(=O)/C(=C/c2cc(Br)c(OCC(=O)OCC)c(I)c2)C(=O)NC1=S ZINC000408902333 1059580792 /nfs/dbraw/zinc/58/07/92/1059580792.db2.gz HMYOOOZLGURZCN-IZZDOVSWSA-N 0 0 579.210 2.808 40 30 KFEBRN C=CCN1C(=O)/C(=C/c2cc(I)c(OC)c(I)c2)C(=O)NC1=S ZINC000408902832 1059017924 /nfs/dbraw/zinc/01/79/24/1059017924.db2.gz LTJCWDNAPCVNAA-WEVVVXLNSA-N 0 0 554.147 2.717 40 30 KFEBRN C=CCN1C(=O)/C(=C/c2cc(I)c(NC)c(I)c2)C(=O)NC1=S ZINC000408903072 1059580711 /nfs/dbraw/zinc/58/07/11/1059580711.db2.gz OTDZMADGYAGMLB-WEVVVXLNSA-N 0 0 553.163 2.750 40 30 KFEBRN C=CCN1C(=O)/C(=C/c2cc(I)c(OCC(=O)OCC)c(I)c2)C(=O)NC1=S ZINC000408903344 1059018145 /nfs/dbraw/zinc/01/81/45/1059018145.db2.gz RFVVBHJNTRYZCS-IZZDOVSWSA-N 0 0 626.210 2.650 40 30 KFEBRN C=CCN1C(=O)/C(=C/c2cc(Br)c(OCC(=O)OC)c(Br)c2)C(=O)NC1=S ZINC000408903359 1059018426 /nfs/dbraw/zinc/01/84/26/1059018426.db2.gz RNPRXTCLCJTCHK-BJMVGYQFSA-N 0 0 518.183 2.576 40 30 KFEBRN C=CCN1C(=O)/C(=C/c2cc(Br)c(OCC(=O)OCC)c(Br)c2)C(=O)NC1=S ZINC000408903398 1059580479 /nfs/dbraw/zinc/58/04/79/1059580479.db2.gz STRCQVHJXZGPBC-IZZDOVSWSA-N 0 0 532.210 2.966 40 30 KFEBRN C=CCN1C(=O)/C(=C/c2cc(Br)c(OC)c(I)c2)C(=O)NC1=S ZINC000408903610 1059580745 /nfs/dbraw/zinc/58/07/45/1059580745.db2.gz UKVSQQLRMHHPBT-WEVVVXLNSA-N 0 0 507.147 2.875 40 30 KFEBRN C#CCOc1c(Br)cc(C=C2C(=O)NC(=S)N(CC=C)C2=O)cc1I ZINC000408903779 1059018594 /nfs/dbraw/zinc/01/85/94/1059018594.db2.gz YXUBRQMJRHPBQB-YRNVUSSQSA-N 0 0 531.169 2.878 40 30 KFEBRN CCOc1cc(CN=Nc2ccc([N+](=O)[O-])cn2)cc(I)c1OCC(=O)OC ZINC000408910573 1059018567 /nfs/dbraw/zinc/01/85/67/1059018567.db2.gz KVRWJSYJZRWWEP-ZBKNUEDVSA-N 0 0 500.249 2.991 40 30 KFEBRN CN1C(=O)/C(=C/c2ccc(OCc3ccccc3C#N)c(I)c2)C(=O)NC1=S ZINC000408912826 1059582195 /nfs/dbraw/zinc/58/21/95/1059582195.db2.gz SFFWLZSDQTZJIC-OVCLIPMQSA-N 0 0 503.321 2.998 40 30 KFEBRN C#CCN1C(=O)S/C(=C/c2cc(I)c(OCC(=O)OC)c(OCC)c2)C1=O ZINC000408916787 1059581389 /nfs/dbraw/zinc/58/13/89/1059581389.db2.gz HKHCNUIHKBYKGW-NTEUORMPSA-N 0 0 501.298 2.911 40 30 KFEBRN C=CCOc1c(I)cc(C=C2C(=O)NC(=S)N(C)C2=O)cc1I ZINC000408917341 1059584969 /nfs/dbraw/zinc/58/49/69/1059584969.db2.gz RKIHLFZVCIRHSN-WEVVVXLNSA-N 0 0 554.147 2.717 40 30 KFEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OCC#N)c3)c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1 ZINC000408919526 1059584094 /nfs/dbraw/zinc/58/40/94/1059584094.db2.gz AQARAGDHPUJDQH-IGSWSUAKSA-N 0 0 519.579 2.718 40 30 KFEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OCC#N)c3)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1 ZINC000408919527 1059584033 /nfs/dbraw/zinc/58/40/33/1059584033.db2.gz AQARAGDHPUJDQH-YMSBRDKKSA-N 0 0 519.579 2.718 40 30 KFEBRN C#CCOc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc4c(c2)OCO4)C(C(=O)OCC)=C(C)N=3)cc1OC ZINC000408919771 1059019071 /nfs/dbraw/zinc/01/90/71/1059019071.db2.gz CFVGMHDOHKDNIC-PLQXQRLBSA-N 0 0 532.574 2.548 40 30 KFEBRN C#CCOc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc4c(c2)OCO4)C(C(=O)OCC)=C(C)N=3)cc1OC ZINC000408919772 1059584161 /nfs/dbraw/zinc/58/41/61/1059584161.db2.gz CFVGMHDOHKDNIC-VVNKCDPRSA-N 0 0 532.574 2.548 40 30 KFEBRN C#CCOc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(N(C)C)cc2)C(C(=O)OCC)=C(C)N=3)cc1 ZINC000408919831 1059584115 /nfs/dbraw/zinc/58/41/15/1059584115.db2.gz DCPQWBHNRLGMJF-IVNHJSRESA-N 0 0 501.608 2.876 40 30 KFEBRN C#CCOc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(N(C)C)cc2)C(C(=O)OCC)=C(C)N=3)cc1 ZINC000408919832 1059583974 /nfs/dbraw/zinc/58/39/74/1059583974.db2.gz DCPQWBHNRLGMJF-PBMMVTTKSA-N 0 0 501.608 2.876 40 30 KFEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OCC#N)c3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 ZINC000408922405 1059583435 /nfs/dbraw/zinc/58/34/35/1059583435.db2.gz DVEOHJKFMNPOQC-FOOJEKODSA-N 0 0 502.596 2.767 40 30 KFEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OCC#N)c3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 ZINC000408922407 1059018998 /nfs/dbraw/zinc/01/89/98/1059018998.db2.gz DVEOHJKFMNPOQC-FVIVVMBBSA-N 0 0 502.596 2.767 40 30 KFEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OCC#N)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 ZINC000408922559 1059583344 /nfs/dbraw/zinc/58/33/44/1059583344.db2.gz FELOOLJZOHUEPT-FOOJEKODSA-N 0 0 502.596 2.767 40 30 KFEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OCC#N)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 ZINC000408922565 1059583534 /nfs/dbraw/zinc/58/35/34/1059583534.db2.gz FELOOLJZOHUEPT-FVIVVMBBSA-N 0 0 502.596 2.767 40 30 KFEBRN C#CCOc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2cccc(OC)c2)C(C(=O)OCC)=C(C)N=3)cc1OC ZINC000408923688 1059583368 /nfs/dbraw/zinc/58/33/68/1059583368.db2.gz HJGKTABUTAYCNK-GJFKPFFXSA-N 0 0 518.591 2.828 40 30 KFEBRN C#CCOc1ccc(/C=c2\sc3n(c2=O)[C@H](c2cccc(OC)c2)C(C(=O)OCC)=C(C)N=3)cc1OC ZINC000408923691 1059019439 /nfs/dbraw/zinc/01/94/39/1059019439.db2.gz HJGKTABUTAYCNK-LWUPDDLQSA-N 0 0 518.591 2.828 40 30 KFEBRN C#CCOc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2cc(OC)ccc2OC)C(C(=O)OCC)=C(C)N=3)cc1 ZINC000408927562 1059585619 /nfs/dbraw/zinc/58/56/19/1059585619.db2.gz QGYKONOHBSNAQF-GJFKPFFXSA-N 0 0 518.591 2.828 40 30 KFEBRN C#CCOc1ccc(/C=c2\sc3n(c2=O)[C@H](c2cc(OC)ccc2OC)C(C(=O)OCC)=C(C)N=3)cc1 ZINC000408927564 1059585581 /nfs/dbraw/zinc/58/55/81/1059585581.db2.gz QGYKONOHBSNAQF-LWUPDDLQSA-N 0 0 518.591 2.828 40 30 KFEBRN C#CCOc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OC)cc2OC)C(C(=O)OCC)=C(C)N=3)cc1 ZINC000408927816 1059584831 /nfs/dbraw/zinc/58/48/31/1059584831.db2.gz RNAZNYSTNKWMQS-GJFKPFFXSA-N 0 0 518.591 2.828 40 30 KFEBRN C#CCOc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OC)cc2OC)C(C(=O)OCC)=C(C)N=3)cc1 ZINC000408927817 1059584676 /nfs/dbraw/zinc/58/46/76/1059584676.db2.gz RNAZNYSTNKWMQS-LWUPDDLQSA-N 0 0 518.591 2.828 40 30 KFEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC#N)c(OC)c3)c(=O)n2[C@@H]1c1cccc(OC)c1 ZINC000408927882 1059019621 /nfs/dbraw/zinc/01/96/21/1059019621.db2.gz SZHKLIWRXKHZCJ-IGSWSUAKSA-N 0 0 519.579 2.718 40 30 KFEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC#N)c(OC)c3)c(=O)n2[C@H]1c1cccc(OC)c1 ZINC000408927883 1059019666 /nfs/dbraw/zinc/01/96/66/1059019666.db2.gz SZHKLIWRXKHZCJ-YMSBRDKKSA-N 0 0 519.579 2.718 40 30 KFEBRN C#CCOc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OC)cc2OC)C(C(=O)OCC)=C(C)N=3)cc1OC ZINC000408927963 1059584805 /nfs/dbraw/zinc/58/48/05/1059584805.db2.gz YZVNYGVPOAXIJG-LMSRTUJASA-N 0 0 548.617 2.836 40 30 KFEBRN C#CCOc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OC)cc2OC)C(C(=O)OCC)=C(C)N=3)cc1OC ZINC000408927964 1059019644 /nfs/dbraw/zinc/01/96/44/1059019644.db2.gz YZVNYGVPOAXIJG-RISWYLRJSA-N 0 0 548.617 2.836 40 30 KFEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC#N)c(OC)c3)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1 ZINC000408928000 1059584947 /nfs/dbraw/zinc/58/49/47/1059584947.db2.gz UCMHIHKIOJURCK-QKSFETHESA-N 0 0 532.622 2.775 40 30 KFEBRN CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC#N)c(OC)c3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1 ZINC000408928001 1059585013 /nfs/dbraw/zinc/58/50/13/1059585013.db2.gz UCMHIHKIOJURCK-ZDQFFALBSA-N 0 0 532.622 2.775 40 30 KFEBRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc(OCC#N)c(OC)c4)c(=O)n32)cc1OCC ZINC000408933095 1059587404 /nfs/dbraw/zinc/58/74/04/1059587404.db2.gz HKVWZMOLJGUHSU-KXERKJKRSA-N 0 0 549.605 2.726 40 30 KFEBRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc(OCC#N)c(OC)c4)c(=O)n32)cc1OCC ZINC000408933096 1059587448 /nfs/dbraw/zinc/58/74/48/1059587448.db2.gz HKVWZMOLJGUHSU-RVEICJNFSA-N 0 0 549.605 2.726 40 30 KFEBRN C#CCOc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OCC)c(OCC)c2)C(C(=O)OC)=CN=3)cc1 ZINC000408933705 1059019926 /nfs/dbraw/zinc/01/99/26/1059019926.db2.gz KFOGHKMZFULWBG-AIAVXMCLSA-N 0 0 518.591 2.828 40 30 KFEBRN C#CCOc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OCC)c(OCC)c2)C(C(=O)OC)=CN=3)cc1 ZINC000408933706 1059586850 /nfs/dbraw/zinc/58/68/50/1059586850.db2.gz KFOGHKMZFULWBG-JCHYSQADSA-N 0 0 518.591 2.828 40 30 KFEBRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc(OCC#N)cc4)c(=O)n32)cc1OCC ZINC000408936244 1059585641 /nfs/dbraw/zinc/58/56/41/1059585641.db2.gz OUOCRECKPFPKPA-BJYRUZDYSA-N 0 0 519.579 2.718 40 30 KFEBRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccc(OCC#N)cc4)c(=O)n32)cc1OCC ZINC000408936245 1059585524 /nfs/dbraw/zinc/58/55/24/1059585524.db2.gz OUOCRECKPFPKPA-JXCKLXDISA-N 0 0 519.579 2.718 40 30 KFEBRN CCOC(=O)COc1ccc(C=NN[C@@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1Br ZINC000408937853 1059596900 /nfs/dbraw/zinc/59/69/00/1059596900.db2.gz AAPDNLHFTXJMAR-DSLIHSBLSA-N 0 0 649.495 2.912 40 30 KFEBRN CCOC(=O)COc1ccc(C=NN[C@@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1Br ZINC000408937854 1059021391 /nfs/dbraw/zinc/02/13/91/1059021391.db2.gz AAPDNLHFTXJMAR-NSXRUNHISA-N 0 0 649.495 2.912 40 30 KFEBRN CCOC(=O)COc1ccc(C=NN[C@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1Br ZINC000408937855 1059021367 /nfs/dbraw/zinc/02/13/67/1059021367.db2.gz AAPDNLHFTXJMAR-PEHSIZJOSA-N 0 0 649.495 2.912 40 30 KFEBRN CCOC(=O)COc1ccc(C=NN[C@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1Br ZINC000408937856 1059596950 /nfs/dbraw/zinc/59/69/50/1059596950.db2.gz AAPDNLHFTXJMAR-RMGBIMRUSA-N 0 0 649.495 2.912 40 30 KFEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cccc(OC)c1OCC ZINC000408937859 1059021411 /nfs/dbraw/zinc/02/14/11/1059021411.db2.gz AASDRUCQUBDBTD-LEZZXSSMSA-N 0 0 542.589 2.614 40 30 KFEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cccc(OC)c1OCC ZINC000408937860 1059597022 /nfs/dbraw/zinc/59/70/22/1059597022.db2.gz AASDRUCQUBDBTD-PUBGFQSKSA-N 0 0 542.589 2.614 40 30 KFEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cccc(OC)c1OCC ZINC000408937861 1059596822 /nfs/dbraw/zinc/59/68/22/1059596822.db2.gz AASDRUCQUBDBTD-QUANKURASA-N 0 0 542.589 2.614 40 30 KFEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cccc(OC)c1OCC ZINC000408937862 1059597599 /nfs/dbraw/zinc/59/75/99/1059597599.db2.gz AASDRUCQUBDBTD-RCULONRVSA-N 0 0 542.589 2.614 40 30 KFEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Br)ccc1OC(C)=O ZINC000408937871 1059596471 /nfs/dbraw/zinc/59/64/71/1059596471.db2.gz ACBBPNLQXTYPKX-MREIPRPDSA-N 0 0 605.442 2.895 40 30 KFEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Br)ccc1OC(C)=O ZINC000408937872 1059021251 /nfs/dbraw/zinc/02/12/51/1059021251.db2.gz ACBBPNLQXTYPKX-RQIQZXEBSA-N 0 0 605.442 2.895 40 30 KFEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Br)ccc1OC(C)=O ZINC000408937873 1059596998 /nfs/dbraw/zinc/59/69/98/1059596998.db2.gz ACBBPNLQXTYPKX-WCEAEALDSA-N 0 0 605.442 2.895 40 30 KFEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Br)ccc1OC(C)=O ZINC000408937874 1059021730 /nfs/dbraw/zinc/02/17/30/1059021730.db2.gz ACBBPNLQXTYPKX-ZNEGETPVSA-N 0 0 605.442 2.895 40 30 KFEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cccc(OC(C)C)c1 ZINC000408937883 1059021838 /nfs/dbraw/zinc/02/18/38/1059021838.db2.gz ACXUCHWCFHZHQR-CDAZSXJKSA-N 0 0 526.590 2.994 40 30 KFEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cccc(OC(C)C)c1 ZINC000408937884 1059596973 /nfs/dbraw/zinc/59/69/73/1059596973.db2.gz ACXUCHWCFHZHQR-ICORMZBLSA-N 0 0 526.590 2.994 40 30 KFEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cccc(OC(C)C)c1 ZINC000408937885 1059021627 /nfs/dbraw/zinc/02/16/27/1059021627.db2.gz ACXUCHWCFHZHQR-PLZYNDFDSA-N 0 0 526.590 2.994 40 30 KFEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cccc(OC(C)C)c1 ZINC000408937886 1059596926 /nfs/dbraw/zinc/59/69/26/1059596926.db2.gz ACXUCHWCFHZHQR-ZCZJNENGSA-N 0 0 526.590 2.994 40 30 KFEBRN CCOC(=O)COc1ccc(C=NN[C@@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1I ZINC000408937968 1059597044 /nfs/dbraw/zinc/59/70/44/1059597044.db2.gz AGSOUKKDIWKNNR-DSLIHSBLSA-N 0 0 696.495 2.754 40 30 KFEBRN CCOC(=O)COc1ccc(C=NN[C@@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1I ZINC000408937971 1059021671 /nfs/dbraw/zinc/02/16/71/1059021671.db2.gz AGSOUKKDIWKNNR-NSXRUNHISA-N 0 0 696.495 2.754 40 30 KFEBRN CCOC(=O)COc1ccc(C=NN[C@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1I ZINC000408937974 1059596877 /nfs/dbraw/zinc/59/68/77/1059596877.db2.gz AGSOUKKDIWKNNR-PEHSIZJOSA-N 0 0 696.495 2.754 40 30 KFEBRN CCOC(=O)COc1ccc(C=NN[C@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1I ZINC000408937977 1059596851 /nfs/dbraw/zinc/59/68/51/1059596851.db2.gz AGSOUKKDIWKNNR-RMGBIMRUSA-N 0 0 696.495 2.754 40 30 KFEBRN C#CCOc1c(/C=c2/sc3n(c2=O)[C@H](c2ccc(OCC)c(OCC)c2)C(C(=O)OC)=CN=3)cccc1OC ZINC000408938411 1059596406 /nfs/dbraw/zinc/59/64/06/1059596406.db2.gz HSVGTLYOBUDRPH-NPWCAHBGSA-N 0 0 548.617 2.836 40 30 KFEBRN C#CCOc1c(/C=c2/sc3n(c2=O)[C@@H](c2ccc(OCC)c(OCC)c2)C(C(=O)OC)=CN=3)cccc1OC ZINC000408938412 1059596430 /nfs/dbraw/zinc/59/64/30/1059596430.db2.gz HSVGTLYOBUDRPH-WWNGRIQCSA-N 0 0 548.617 2.836 40 30 KFEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc([N+](=O)[O-])ccc1N(CC)CC ZINC000408938463 1059595721 /nfs/dbraw/zinc/59/57/21/1059595721.db2.gz ALKWCLVLIRVVOW-IGSAFADJSA-N 0 0 584.630 2.962 40 30 KFEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc([N+](=O)[O-])ccc1N(CC)CC ZINC000408938464 1059595677 /nfs/dbraw/zinc/59/56/77/1059595677.db2.gz ALKWCLVLIRVVOW-MLPXVHMNSA-N 0 0 584.630 2.962 40 30 KFEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc([N+](=O)[O-])ccc1N(CC)CC ZINC000408938465 1059595815 /nfs/dbraw/zinc/59/58/15/1059595815.db2.gz ALKWCLVLIRVVOW-SVRGBRSRSA-N 0 0 584.630 2.962 40 30 KFEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc([N+](=O)[O-])ccc1N(CC)CC ZINC000408938466 1059021692 /nfs/dbraw/zinc/02/16/92/1059021692.db2.gz ALKWCLVLIRVVOW-WOEPFXTOSA-N 0 0 584.630 2.962 40 30 KFEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccccc1Br ZINC000408938524 1059596384 /nfs/dbraw/zinc/59/63/84/1059596384.db2.gz AOLXUPNXPKHFGN-GKIICUKPSA-N 0 0 547.406 2.970 40 30 KFEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccccc1Br ZINC000408938526 1059596316 /nfs/dbraw/zinc/59/63/16/1059596316.db2.gz AOLXUPNXPKHFGN-GSKHPKCTSA-N 0 0 547.406 2.970 40 30 KFEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccccc1Br ZINC000408938528 1059596267 /nfs/dbraw/zinc/59/62/67/1059596267.db2.gz AOLXUPNXPKHFGN-JXTZEJCMSA-N 0 0 547.406 2.970 40 30 KFEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccccc1Br ZINC000408938530 1059596338 /nfs/dbraw/zinc/59/63/38/1059596338.db2.gz AOLXUPNXPKHFGN-XIABNSLWSA-N 0 0 547.406 2.970 40 30 KFEBRN C=CCOc1ccccc1C=NN[C@@H](O)COc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)OC)cc1OCC ZINC000408938586 1059596450 /nfs/dbraw/zinc/59/64/50/1059596450.db2.gz ATVJVILOKFGUEZ-ASZYGDGUSA-N 0 0 524.574 2.772 40 30 KFEBRN C=CCOc1ccccc1C=NN[C@H](O)COc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)OC)cc1OCC ZINC000408938588 1059596364 /nfs/dbraw/zinc/59/63/64/1059596364.db2.gz ATVJVILOKFGUEZ-BXLJIYODSA-N 0 0 524.574 2.772 40 30 KFEBRN C=CCOc1ccccc1C=NN[C@@H](O)COc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)cc1OCC ZINC000408938590 1059596291 /nfs/dbraw/zinc/59/62/91/1059596291.db2.gz ATVJVILOKFGUEZ-HOCPYKBASA-N 0 0 524.574 2.772 40 30 KFEBRN C=CCOc1ccccc1C=NN[C@H](O)COc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)cc1OCC ZINC000408938592 1059021646 /nfs/dbraw/zinc/02/16/46/1059021646.db2.gz ATVJVILOKFGUEZ-VFCBNBPQSA-N 0 0 524.574 2.772 40 30 KFEBRN C#CCOc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(OCC)c(OCC)c2)C(C(=O)OC)=CN=3)cc1OC ZINC000408938870 1059595913 /nfs/dbraw/zinc/59/59/13/1059595913.db2.gz SLKZEDUPUCFXGX-MJRUJHQZSA-N 0 0 548.617 2.836 40 30 KFEBRN C#CCOc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OCC)c(OCC)c2)C(C(=O)OC)=CN=3)cc1OC ZINC000408938873 1059595893 /nfs/dbraw/zinc/59/58/93/1059595893.db2.gz SLKZEDUPUCFXGX-MLGNGQMDSA-N 0 0 548.617 2.836 40 30 KFEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(I)c(OC(C)=O)c(OC)c1 ZINC000408939231 1059020456 /nfs/dbraw/zinc/02/04/56/1059020456.db2.gz BAPUSOMTKMWKTC-MIODOHMVSA-N 0 0 682.468 2.746 40 30 KFEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(I)c(OC(C)=O)c(OC)c1 ZINC000408939237 1059595797 /nfs/dbraw/zinc/59/57/97/1059595797.db2.gz BAPUSOMTKMWKTC-OSTBNYECSA-N 0 0 682.468 2.746 40 30 KFEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(I)c(OC(C)=O)c(OC)c1 ZINC000408939240 1059595855 /nfs/dbraw/zinc/59/58/55/1059595855.db2.gz BAPUSOMTKMWKTC-QHGCRHBNSA-N 0 0 682.468 2.746 40 30 KFEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(I)c(OC(C)=O)c(OC)c1 ZINC000408939243 1059595874 /nfs/dbraw/zinc/59/58/74/1059595874.db2.gz BAPUSOMTKMWKTC-QOZUPEJLSA-N 0 0 682.468 2.746 40 30 KFEBRN CCOC(=O)Cn1cc(C=NN[C@@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)c2ccccc21 ZINC000408939341 1059002509 /nfs/dbraw/zinc/00/25/09/1059002509.db2.gz BERIPWOIIPVTOZ-AREFCUKFSA-N 0 0 593.637 2.725 40 30 KFEBRN CCOC(=O)Cn1cc(C=NN[C@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)c2ccccc21 ZINC000408939342 1059595758 /nfs/dbraw/zinc/59/57/58/1059595758.db2.gz BERIPWOIIPVTOZ-AZYZPNGUSA-N 0 0 593.637 2.725 40 30 KFEBRN CCOC(=O)Cn1cc(C=NN[C@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)c2ccccc21 ZINC000408939343 1059020307 /nfs/dbraw/zinc/02/03/07/1059020307.db2.gz BERIPWOIIPVTOZ-CVDLBZNZSA-N 0 0 593.637 2.725 40 30 KFEBRN CCOC(=O)Cn1cc(C=NN[C@@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)c2ccccc21 ZINC000408939344 1059595778 /nfs/dbraw/zinc/59/57/78/1059595778.db2.gz BERIPWOIIPVTOZ-QSQIAPDXSA-N 0 0 593.637 2.725 40 30 KFEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(N(CC)CC)cc1O ZINC000408939732 1059595209 /nfs/dbraw/zinc/59/52/09/1059595209.db2.gz BNKVHRSIEACXCQ-MLPXVHMNSA-N 0 0 555.632 2.759 40 30 KFEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(N(CC)CC)cc1O ZINC000408939735 1059595281 /nfs/dbraw/zinc/59/52/81/1059595281.db2.gz BNKVHRSIEACXCQ-SVRGBRSRSA-N 0 0 555.632 2.759 40 30 KFEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(N(CC)CC)cc1O ZINC000408939737 1059020409 /nfs/dbraw/zinc/02/04/09/1059020409.db2.gz BNKVHRSIEACXCQ-WOEPFXTOSA-N 0 0 555.632 2.759 40 30 KFEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(I)c(OCC#N)c(OC)c1 ZINC000408939820 1059595242 /nfs/dbraw/zinc/59/52/42/1059595242.db2.gz BREPRLZAURBNDD-ADODYWCFSA-N 0 0 679.468 2.723 40 30 KFEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(I)c(OCC#N)c(OC)c1 ZINC000408939824 1059595376 /nfs/dbraw/zinc/59/53/76/1059595376.db2.gz BREPRLZAURBNDD-IFFKDRNLSA-N 0 0 679.468 2.723 40 30 KFEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(I)c(OCC#N)c(OC)c1 ZINC000408939828 1059595185 /nfs/dbraw/zinc/59/51/85/1059595185.db2.gz BREPRLZAURBNDD-OZORCGAZSA-N 0 0 679.468 2.723 40 30 KFEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(I)c(OCC#N)c(OC)c1 ZINC000408939830 1059020481 /nfs/dbraw/zinc/02/04/81/1059020481.db2.gz BREPRLZAURBNDD-SREUWLBMSA-N 0 0 679.468 2.723 40 30 KFEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(C)c(OC)c1 ZINC000408940351 1059594749 /nfs/dbraw/zinc/59/47/49/1059594749.db2.gz BXDOLCJKWXLXBB-AHEQEGGASA-N 0 0 512.563 2.524 40 30 KFEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(C)c(OC)c1 ZINC000408940356 1059020836 /nfs/dbraw/zinc/02/08/36/1059020836.db2.gz BXDOLCJKWXLXBB-FOFBPULZSA-N 0 0 512.563 2.524 40 30 KFEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(C)c(OC)c1 ZINC000408940358 1059594726 /nfs/dbraw/zinc/59/47/26/1059594726.db2.gz BXDOLCJKWXLXBB-VZOVANTCSA-N 0 0 512.563 2.524 40 30 KFEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(C)c(OC)c1 ZINC000408940359 1059020966 /nfs/dbraw/zinc/02/09/66/1059020966.db2.gz BXDOLCJKWXLXBB-YAIIYLDSSA-N 0 0 512.563 2.524 40 30 KFEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(I)c(O)c(OC)c1 ZINC000408940382 1059594771 /nfs/dbraw/zinc/59/47/71/1059594771.db2.gz BZAIZEHMELYSQP-MKMNMNSVSA-N 0 0 640.431 2.526 40 30 KFEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(I)c(O)c(OC)c1 ZINC000408940391 1059595260 /nfs/dbraw/zinc/59/52/60/1059595260.db2.gz BZAIZEHMELYSQP-OKFFUVHGSA-N 0 0 640.431 2.526 40 30 KFEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(I)c(O)c(OC)c1 ZINC000408940393 1059020785 /nfs/dbraw/zinc/02/07/85/1059020785.db2.gz BZAIZEHMELYSQP-UWHXHJIVSA-N 0 0 640.431 2.526 40 30 KFEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(I)c(O)c(OC)c1 ZINC000408940395 1059020857 /nfs/dbraw/zinc/02/08/57/1059020857.db2.gz BZAIZEHMELYSQP-VZHUXCPHSA-N 0 0 640.431 2.526 40 30 KFEBRN CCOc1cc(C=NN[C@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)ccc1OC ZINC000408940663 1059594706 /nfs/dbraw/zinc/59/47/06/1059594706.db2.gz CFXPUVGJHHVMQT-DDFSSGQVSA-N 0 0 542.589 2.614 40 30 KFEBRN CCOc1cc(C=NN[C@@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)ccc1OC ZINC000408940667 1059020986 /nfs/dbraw/zinc/02/09/86/1059020986.db2.gz CFXPUVGJHHVMQT-FZEVWGAESA-N 0 0 542.589 2.614 40 30 KFEBRN CCOc1cc(C=NN[C@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)ccc1OC ZINC000408940669 1059594683 /nfs/dbraw/zinc/59/46/83/1059594683.db2.gz CFXPUVGJHHVMQT-JEDKUOLWSA-N 0 0 542.589 2.614 40 30 KFEBRN CCOc1cc(C=NN[C@@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)ccc1OC ZINC000408940672 1059594792 /nfs/dbraw/zinc/59/47/92/1059594792.db2.gz CFXPUVGJHHVMQT-ZIAGWNQCSA-N 0 0 542.589 2.614 40 30 KFEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccccc1OC(C)C ZINC000408940706 1059594638 /nfs/dbraw/zinc/59/46/38/1059594638.db2.gz CHPWJFZGGFORJP-CDAZSXJKSA-N 0 0 526.590 2.994 40 30 KFEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccccc1OC(C)C ZINC000408940710 1059020944 /nfs/dbraw/zinc/02/09/44/1059020944.db2.gz CHPWJFZGGFORJP-ICORMZBLSA-N 0 0 526.590 2.994 40 30 KFEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccccc1OC(C)C ZINC000408940713 1059594812 /nfs/dbraw/zinc/59/48/12/1059594812.db2.gz CHPWJFZGGFORJP-PLZYNDFDSA-N 0 0 526.590 2.994 40 30 KFEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccccc1OC(C)C ZINC000408940717 1059594828 /nfs/dbraw/zinc/59/48/28/1059594828.db2.gz CHPWJFZGGFORJP-ZCZJNENGSA-N 0 0 526.590 2.994 40 30 KFEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(OC)cc1C ZINC000408940826 1059020923 /nfs/dbraw/zinc/02/09/23/1059020923.db2.gz CKPLBFZBQXEINJ-CZYGPWSVSA-N 0 0 512.563 2.524 40 30 KFEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(OC)cc1C ZINC000408940829 1059594184 /nfs/dbraw/zinc/59/41/84/1059594184.db2.gz CKPLBFZBQXEINJ-GSJUJJHQSA-N 0 0 512.563 2.524 40 30 KFEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(OC)cc1C ZINC000408940830 1059020812 /nfs/dbraw/zinc/02/08/12/1059020812.db2.gz CKPLBFZBQXEINJ-YNMPAXSUSA-N 0 0 512.563 2.524 40 30 KFEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(OC)cc1C ZINC000408940832 1059020879 /nfs/dbraw/zinc/02/08/79/1059020879.db2.gz CKPLBFZBQXEINJ-ZOLLBZJMSA-N 0 0 512.563 2.524 40 30 KFEBRN CCOC(=O)COc1cc(Br)c(C=NN[C@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1OC ZINC000408940886 1059594363 /nfs/dbraw/zinc/59/43/63/1059594363.db2.gz CMNCMJKAGITLMV-GVOLPHLBSA-N 0 0 679.521 2.920 40 30 KFEBRN CCOC(=O)COc1cc(Br)c(C=NN[C@@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1OC ZINC000408940890 1059002412 /nfs/dbraw/zinc/00/24/12/1059002412.db2.gz CMNCMJKAGITLMV-KUVDVEBHSA-N 0 0 679.521 2.920 40 30 KFEBRN CCOC(=O)COc1cc(Br)c(C=NN[C@@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1OC ZINC000408940893 1059002534 /nfs/dbraw/zinc/00/25/34/1059002534.db2.gz CMNCMJKAGITLMV-MSEONMHHSA-N 0 0 679.521 2.920 40 30 KFEBRN CCOC(=O)COc1cc(Br)c(C=NN[C@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1OC ZINC000408940896 1059002556 /nfs/dbraw/zinc/00/25/56/1059002556.db2.gz CMNCMJKAGITLMV-XVTWQZNBSA-N 0 0 679.521 2.920 40 30 KFEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Br)c(OC)c(OC)c1 ZINC000408941208 1059594341 /nfs/dbraw/zinc/59/43/41/1059594341.db2.gz CNCQCFLLODNOFO-BNFQWOKNSA-N 0 0 607.458 2.987 40 30 KFEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Br)c(OC)c(OC)c1 ZINC000408941209 1059021297 /nfs/dbraw/zinc/02/12/97/1059021297.db2.gz CNCQCFLLODNOFO-HNCLAJARSA-N 0 0 607.458 2.987 40 30 KFEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Br)c(OC)c(OC)c1 ZINC000408941211 1059021342 /nfs/dbraw/zinc/02/13/42/1059021342.db2.gz CNCQCFLLODNOFO-IRPDQSHZSA-N 0 0 607.458 2.987 40 30 KFEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Br)c(OC)c(OC)c1 ZINC000408941213 1059594249 /nfs/dbraw/zinc/59/42/49/1059594249.db2.gz CNCQCFLLODNOFO-XFCWRSKXSA-N 0 0 607.458 2.987 40 30 KFEBRN COC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OCC#N)c3)c(=O)n2[C@H]1c1cc(Cl)ccc1OC ZINC000408941732 1059594295 /nfs/dbraw/zinc/59/42/95/1059594295.db2.gz KEQSWSMYJAXRBE-AFHVAHMMSA-N 0 0 509.971 2.973 40 30 KFEBRN COC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OCC#N)c3)c(=O)n2[C@@H]1c1cc(Cl)ccc1OC ZINC000408941736 1059594228 /nfs/dbraw/zinc/59/42/28/1059594228.db2.gz KEQSWSMYJAXRBE-ZRELAVNMSA-N 0 0 509.971 2.973 40 30 KFEBRN C#CCn1cc(C=NN[C@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)c2ccccc21 ZINC000408941946 1059023122 /nfs/dbraw/zinc/02/31/22/1059023122.db2.gz DEJDPOGKCOOQGS-FTLAMCAWSA-N 0 0 545.596 2.795 40 30 KFEBRN C#CCn1cc(C=NN[C@@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)c2ccccc21 ZINC000408941951 1059594273 /nfs/dbraw/zinc/59/42/73/1059594273.db2.gz DEJDPOGKCOOQGS-GCFPKEOMSA-N 0 0 545.596 2.795 40 30 KFEBRN C#CCn1cc(C=NN[C@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)c2ccccc21 ZINC000408941957 1059023211 /nfs/dbraw/zinc/02/32/11/1059023211.db2.gz DEJDPOGKCOOQGS-JQDFJLOASA-N 0 0 545.596 2.795 40 30 KFEBRN C#CCn1cc(C=NN[C@@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)c2ccccc21 ZINC000408941961 1059593797 /nfs/dbraw/zinc/59/37/97/1059593797.db2.gz DEJDPOGKCOOQGS-LUVJPBDYSA-N 0 0 545.596 2.795 40 30 KFEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cccc(Br)c1 ZINC000408942481 1059023013 /nfs/dbraw/zinc/02/30/13/1059023013.db2.gz DRIXEWZYGPBHLX-GKIICUKPSA-N 0 0 547.406 2.970 40 30 KFEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cccc(Br)c1 ZINC000408942484 1059593749 /nfs/dbraw/zinc/59/37/49/1059593749.db2.gz DRIXEWZYGPBHLX-GSKHPKCTSA-N 0 0 547.406 2.970 40 30 KFEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cccc(Br)c1 ZINC000408942487 1059593773 /nfs/dbraw/zinc/59/37/73/1059593773.db2.gz DRIXEWZYGPBHLX-JXTZEJCMSA-N 0 0 547.406 2.970 40 30 KFEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cccc(Br)c1 ZINC000408942489 1059022987 /nfs/dbraw/zinc/02/29/87/1059022987.db2.gz DRIXEWZYGPBHLX-XIABNSLWSA-N 0 0 547.406 2.970 40 30 KFEBRN CCOC(=O)COc1c(C=NN[C@@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc(Br)cc1OC ZINC000408942652 1059589062 /nfs/dbraw/zinc/58/90/62/1059589062.db2.gz DXROPMNDJFEHEF-AFPWNFEBSA-N 0 0 679.521 2.920 40 30 KFEBRN CCOC(=O)COc1c(C=NN[C@@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc(Br)cc1OC ZINC000408942654 1059589675 /nfs/dbraw/zinc/58/96/75/1059589675.db2.gz DXROPMNDJFEHEF-IHWMPTITSA-N 0 0 679.521 2.920 40 30 KFEBRN CCOC(=O)COc1c(C=NN[C@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc(Br)cc1OC ZINC000408942657 1059023099 /nfs/dbraw/zinc/02/30/99/1059023099.db2.gz DXROPMNDJFEHEF-OFWLHAAJSA-N 0 0 679.521 2.920 40 30 KFEBRN CCOC(=O)COc1c(C=NN[C@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc(Br)cc1OC ZINC000408942660 1059589611 /nfs/dbraw/zinc/58/96/11/1059589611.db2.gz DXROPMNDJFEHEF-YSIUDXQCSA-N 0 0 679.521 2.920 40 30 KFEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(OC)c(Br)c1 ZINC000408942679 1059023031 /nfs/dbraw/zinc/02/30/31/1059023031.db2.gz DXWZRQNNPOXEDT-NSCYZXDASA-N 0 0 577.432 2.978 40 30 KFEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(OC)c(Br)c1 ZINC000408942681 1059589693 /nfs/dbraw/zinc/58/96/93/1059589693.db2.gz DXWZRQNNPOXEDT-UXGPZQCPSA-N 0 0 577.432 2.978 40 30 KFEBRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cccc(OC)c4OCC#N)c(=O)n32)cc1OCC ZINC000408942783 1059023497 /nfs/dbraw/zinc/02/34/97/1059023497.db2.gz LGBGTRTZNMZYOM-BCGDRIGESA-N 0 0 549.605 2.726 40 30 KFEBRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cccc(OC)c4OCC#N)c(=O)n32)cc1OCC ZINC000408942785 1059593634 /nfs/dbraw/zinc/59/36/34/1059593634.db2.gz LGBGTRTZNMZYOM-CRYHJCRISA-N 0 0 549.605 2.726 40 30 KFEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(OC)c(Br)c1 ZINC000408942975 1059593189 /nfs/dbraw/zinc/59/31/89/1059593189.db2.gz DXWZRQNNPOXEDT-YBCQCJFKSA-N 0 0 577.432 2.978 40 30 KFEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(OC)c(Br)c1 ZINC000408942976 1059593126 /nfs/dbraw/zinc/59/31/26/1059593126.db2.gz DXWZRQNNPOXEDT-ZOWGGAOYSA-N 0 0 577.432 2.978 40 30 KFEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(Br)cc1 ZINC000408943424 1059589155 /nfs/dbraw/zinc/58/91/55/1059589155.db2.gz FQSMJPPLZGRZOU-GKIICUKPSA-N 0 0 547.406 2.970 40 30 KFEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(Br)cc1 ZINC000408943426 1059023598 /nfs/dbraw/zinc/02/35/98/1059023598.db2.gz FQSMJPPLZGRZOU-GSKHPKCTSA-N 0 0 547.406 2.970 40 30 KFEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(Br)cc1 ZINC000408943429 1059589178 /nfs/dbraw/zinc/58/91/78/1059589178.db2.gz FQSMJPPLZGRZOU-JXTZEJCMSA-N 0 0 547.406 2.970 40 30 KFEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(Br)cc1 ZINC000408943431 1059589041 /nfs/dbraw/zinc/58/90/41/1059589041.db2.gz FQSMJPPLZGRZOU-XIABNSLWSA-N 0 0 547.406 2.970 40 30 KFEBRN C=CCc1cc(C=NN[C@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)ccc1O ZINC000408943453 1059589089 /nfs/dbraw/zinc/58/90/89/1059589089.db2.gz FTHWVNPXRGIPSK-DDFSSGQVSA-N 0 0 524.574 2.641 40 30 KFEBRN C=CCc1cc(C=NN[C@@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)ccc1O ZINC000408943462 1059589197 /nfs/dbraw/zinc/58/91/97/1059589197.db2.gz FTHWVNPXRGIPSK-FZEVWGAESA-N 0 0 524.574 2.641 40 30 KFEBRN C=CCc1cc(C=NN[C@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)ccc1O ZINC000408943464 1059023427 /nfs/dbraw/zinc/02/34/27/1059023427.db2.gz FTHWVNPXRGIPSK-JEDKUOLWSA-N 0 0 524.574 2.641 40 30 KFEBRN C=CCc1cc(C=NN[C@@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)ccc1O ZINC000408943467 1059023560 /nfs/dbraw/zinc/02/35/60/1059023560.db2.gz FTHWVNPXRGIPSK-ZIAGWNQCSA-N 0 0 524.574 2.641 40 30 KFEBRN C=CCc1cc(C=NN[C@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc(OC)c1OC ZINC000408943516 1059588501 /nfs/dbraw/zinc/58/85/01/1059588501.db2.gz FVOORYHADQKJBV-JDHIBWLUSA-N 0 0 568.627 2.953 40 30 KFEBRN C=CCc1cc(C=NN[C@@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc(OC)c1OC ZINC000408943518 1059589132 /nfs/dbraw/zinc/58/91/32/1059589132.db2.gz FVOORYHADQKJBV-LDTLGUNKSA-N 0 0 568.627 2.953 40 30 KFEBRN C=CCc1cc(C=NN[C@@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc(OC)c1OC ZINC000408943520 1059589112 /nfs/dbraw/zinc/58/91/12/1059589112.db2.gz FVOORYHADQKJBV-PHGNHSODSA-N 0 0 568.627 2.953 40 30 KFEBRN C=CCc1cc(C=NN[C@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc(OC)c1OC ZINC000408943522 1059588989 /nfs/dbraw/zinc/58/89/89/1059588989.db2.gz FVOORYHADQKJBV-ZSCWCSKLSA-N 0 0 568.627 2.953 40 30 KFEBRN CCOc1cccc(C=NN[C@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)c1 ZINC000408943698 1059593211 /nfs/dbraw/zinc/59/32/11/1059593211.db2.gz GAGCXIUFXCOVGK-DFHQVAGFSA-N 0 0 512.563 2.606 40 30 KFEBRN CCOc1cccc(C=NN[C@@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)c1 ZINC000408943700 1059593324 /nfs/dbraw/zinc/59/33/24/1059593324.db2.gz GAGCXIUFXCOVGK-HNXJIWDESA-N 0 0 512.563 2.606 40 30 KFEBRN CCOc1cccc(C=NN[C@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)c1 ZINC000408943703 1059593302 /nfs/dbraw/zinc/59/33/02/1059593302.db2.gz GAGCXIUFXCOVGK-HZXBEXEUSA-N 0 0 512.563 2.606 40 30 KFEBRN CCOc1cccc(C=NN[C@@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)c1 ZINC000408943705 1059593281 /nfs/dbraw/zinc/59/32/81/1059593281.db2.gz GAGCXIUFXCOVGK-YUAMXHCBSA-N 0 0 512.563 2.606 40 30 KFEBRN C#CCOc1ccccc1/C=c1/sc2n(c1=O)[C@H](c1ccc(OCC)c(OCC)c1)C(C(=O)OC)=CN=2 ZINC000408943774 1059592585 /nfs/dbraw/zinc/59/25/85/1059592585.db2.gz MAWURCWHWFPTMR-NPWCAHBGSA-N 0 0 518.591 2.828 40 30 KFEBRN C#CCOc1ccccc1/C=c1/sc2n(c1=O)[C@@H](c1ccc(OCC)c(OCC)c1)C(C(=O)OC)=CN=2 ZINC000408943777 1059023857 /nfs/dbraw/zinc/02/38/57/1059023857.db2.gz MAWURCWHWFPTMR-WWNGRIQCSA-N 0 0 518.591 2.828 40 30 KFEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(I)cc(OC)c1O ZINC000408944077 1059592655 /nfs/dbraw/zinc/59/26/55/1059592655.db2.gz GHAYEVSVYKQFSS-FZDRLKPYSA-N 0 0 640.431 2.526 40 30 KFEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(I)cc(OC)c1O ZINC000408944079 1059592687 /nfs/dbraw/zinc/59/26/87/1059592687.db2.gz GHAYEVSVYKQFSS-GFSBBMITSA-N 0 0 640.431 2.526 40 30 KFEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(I)cc(OC)c1O ZINC000408944081 1059021750 /nfs/dbraw/zinc/02/17/50/1059021750.db2.gz GHAYEVSVYKQFSS-JYOMVNRNSA-N 0 0 640.431 2.526 40 30 KFEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(I)cc(OC)c1O ZINC000408944083 1059592561 /nfs/dbraw/zinc/59/25/61/1059592561.db2.gz GHAYEVSVYKQFSS-VEMIAUMBSA-N 0 0 640.431 2.526 40 30 KFEBRN C#CCOc1ccc(C=NN[C@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1OCC ZINC000408944143 1059021814 /nfs/dbraw/zinc/02/18/14/1059021814.db2.gz GLSAGGNVUINHFQ-AVMFPXLXSA-N 0 0 566.611 2.618 40 30 KFEBRN C#CCOc1ccc(C=NN[C@@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1OCC ZINC000408944146 1059591979 /nfs/dbraw/zinc/59/19/79/1059591979.db2.gz GLSAGGNVUINHFQ-PSTCCKRPSA-N 0 0 566.611 2.618 40 30 KFEBRN C#CCOc1ccc(C=NN[C@@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1OCC ZINC000408944148 1059592098 /nfs/dbraw/zinc/59/20/98/1059592098.db2.gz GLSAGGNVUINHFQ-XQGAZVOYSA-N 0 0 566.611 2.618 40 30 KFEBRN C#CCOc1ccc(C=NN[C@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1OCC ZINC000408944149 1059592670 /nfs/dbraw/zinc/59/26/70/1059592670.db2.gz GLSAGGNVUINHFQ-ZXLOOTFSSA-N 0 0 566.611 2.618 40 30 KFEBRN COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC#N)cc3)c(=O)n2[C@H]1c1cc(Cl)ccc1OC ZINC000408944490 1059588458 /nfs/dbraw/zinc/58/84/58/1059588458.db2.gz MRCFFKLNUCBUKO-AFHVAHMMSA-N 0 0 509.971 2.973 40 30 KFEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Cl)c(OCC(=O)OC)c(OCC)c1 ZINC000408944491 1059588545 /nfs/dbraw/zinc/58/85/45/1059588545.db2.gz GQBGCUQOBNUMDO-ANXAOISFSA-N 0 0 635.070 2.811 40 30 KFEBRN COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC#N)cc3)c(=O)n2[C@@H]1c1cc(Cl)ccc1OC ZINC000408944492 1059588679 /nfs/dbraw/zinc/58/86/79/1059588679.db2.gz MRCFFKLNUCBUKO-ZRELAVNMSA-N 0 0 509.971 2.973 40 30 KFEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Cl)c(OCC(=O)OC)c(OCC)c1 ZINC000408944493 1059022079 /nfs/dbraw/zinc/02/20/79/1059022079.db2.gz GQBGCUQOBNUMDO-CAVNYTLZSA-N 0 0 635.070 2.811 40 30 KFEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Cl)c(OCC(=O)OC)c(OCC)c1 ZINC000408944495 1059588592 /nfs/dbraw/zinc/58/85/92/1059588592.db2.gz GQBGCUQOBNUMDO-CPVPUQAFSA-N 0 0 635.070 2.811 40 30 KFEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Cl)c(OCC(=O)OC)c(OCC)c1 ZINC000408944497 1059588636 /nfs/dbraw/zinc/58/86/36/1059588636.db2.gz GQBGCUQOBNUMDO-HKTILGSXSA-N 0 0 635.070 2.811 40 30 KFEBRN CCOc1ccccc1C=NN[C@H](O)COc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)OC)cc1OCC ZINC000408944525 1059588616 /nfs/dbraw/zinc/58/86/16/1059588616.db2.gz GSYQIJVZFLSYGW-DFHQVAGFSA-N 0 0 512.563 2.606 40 30 KFEBRN CCOc1ccccc1C=NN[C@@H](O)COc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)OC)cc1OCC ZINC000408944527 1059588480 /nfs/dbraw/zinc/58/84/80/1059588480.db2.gz GSYQIJVZFLSYGW-HNXJIWDESA-N 0 0 512.563 2.606 40 30 KFEBRN CCOc1ccccc1C=NN[C@H](O)COc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)cc1OCC ZINC000408944529 1059022324 /nfs/dbraw/zinc/02/23/24/1059022324.db2.gz GSYQIJVZFLSYGW-HZXBEXEUSA-N 0 0 512.563 2.606 40 30 KFEBRN CCOc1ccccc1C=NN[C@@H](O)COc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)cc1OCC ZINC000408944531 1059588568 /nfs/dbraw/zinc/58/85/68/1059588568.db2.gz GSYQIJVZFLSYGW-YUAMXHCBSA-N 0 0 512.563 2.606 40 30 KFEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(I)c(OCC(=O)OC)c(I)c1 ZINC000408944834 1059591610 /nfs/dbraw/zinc/59/16/10/1059591610.db2.gz GXLFULDNDAGAND-CJDZJEGHSA-N 0 0 808.364 2.968 40 30 KFEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(I)c(OCC(=O)OC)c(I)c1 ZINC000408944836 1059592168 /nfs/dbraw/zinc/59/21/68/1059592168.db2.gz GXLFULDNDAGAND-DNBJFUAZSA-N 0 0 808.364 2.968 40 30 KFEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(I)c(OCC(=O)OC)c(I)c1 ZINC000408944838 1059592037 /nfs/dbraw/zinc/59/20/37/1059592037.db2.gz GXLFULDNDAGAND-GRLLSRNWSA-N 0 0 808.364 2.968 40 30 KFEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(I)c(OCC(=O)OC)c(I)c1 ZINC000408944839 1059022054 /nfs/dbraw/zinc/02/20/54/1059022054.db2.gz GXLFULDNDAGAND-RCMVPCBXSA-N 0 0 808.364 2.968 40 30 KFEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Br)c(OCC#N)c(OC)c1 ZINC000408944847 1059592191 /nfs/dbraw/zinc/59/21/91/1059592191.db2.gz GXXDFCZXFUNHKA-ADODYWCFSA-N 0 0 632.468 2.881 40 30 KFEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Br)c(OCC#N)c(OC)c1 ZINC000408944851 1059022122 /nfs/dbraw/zinc/02/21/22/1059022122.db2.gz GXXDFCZXFUNHKA-IFFKDRNLSA-N 0 0 632.468 2.881 40 30 KFEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Br)c(OCC#N)c(OC)c1 ZINC000408944856 1059022301 /nfs/dbraw/zinc/02/23/01/1059022301.db2.gz GXXDFCZXFUNHKA-OZORCGAZSA-N 0 0 632.468 2.881 40 30 KFEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Br)c(OCC#N)c(OC)c1 ZINC000408944859 1059592060 /nfs/dbraw/zinc/59/20/60/1059592060.db2.gz GXXDFCZXFUNHKA-SREUWLBMSA-N 0 0 632.468 2.881 40 30 KFEBRN C#CCOc1ccc(Cl)cc1C=NN[C@@H](O)COc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)OC)cc1OCC ZINC000408944862 1059592122 /nfs/dbraw/zinc/59/21/22/1059592122.db2.gz GYOPFINHVDXCCC-CBLWXDATSA-N 0 0 557.003 2.873 40 30 KFEBRN C#CCOc1ccc(Cl)cc1C=NN[C@@H](O)COc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)cc1OCC ZINC000408944864 1059592011 /nfs/dbraw/zinc/59/20/11/1059592011.db2.gz GYOPFINHVDXCCC-DTKWVCNXSA-N 0 0 557.003 2.873 40 30 KFEBRN C#CCOc1ccc(Cl)cc1C=NN[C@H](O)COc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)OC)cc1OCC ZINC000408944867 1059592081 /nfs/dbraw/zinc/59/20/81/1059592081.db2.gz GYOPFINHVDXCCC-FSQDEPJESA-N 0 0 557.003 2.873 40 30 KFEBRN C#CCOc1ccc(Cl)cc1C=NN[C@H](O)COc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)cc1OCC ZINC000408944871 1059592147 /nfs/dbraw/zinc/59/21/47/1059592147.db2.gz GYOPFINHVDXCCC-MCRYNVSCSA-N 0 0 557.003 2.873 40 30 KFEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cccc(Cl)c1 ZINC000408944983 1059591689 /nfs/dbraw/zinc/59/16/89/1059591689.db2.gz HCSSJJTWBSGGHM-GKIICUKPSA-N 0 0 502.955 2.861 40 30 KFEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cccc(Cl)c1 ZINC000408944986 1059022100 /nfs/dbraw/zinc/02/21/00/1059022100.db2.gz HCSSJJTWBSGGHM-GSKHPKCTSA-N 0 0 502.955 2.861 40 30 KFEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cccc(Cl)c1 ZINC000408944990 1059591565 /nfs/dbraw/zinc/59/15/65/1059591565.db2.gz HCSSJJTWBSGGHM-JXTZEJCMSA-N 0 0 502.955 2.861 40 30 KFEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cccc(Cl)c1 ZINC000408944993 1059591626 /nfs/dbraw/zinc/59/16/26/1059591626.db2.gz HCSSJJTWBSGGHM-XIABNSLWSA-N 0 0 502.955 2.861 40 30 KFEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(O)c(I)c1 ZINC000408945142 1059022213 /nfs/dbraw/zinc/02/22/13/1059022213.db2.gz HINCNCXNOZFUCZ-FJLGLVMOSA-N 0 0 610.405 2.517 40 30 KFEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(O)c(I)c1 ZINC000408945147 1059022257 /nfs/dbraw/zinc/02/22/57/1059022257.db2.gz HINCNCXNOZFUCZ-ROKKHWFHSA-N 0 0 610.405 2.517 40 30 KFEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(O)c(I)c1 ZINC000408945150 1059591579 /nfs/dbraw/zinc/59/15/79/1059591579.db2.gz HINCNCXNOZFUCZ-SJLPXIOISA-N 0 0 610.405 2.517 40 30 KFEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(O)c(I)c1 ZINC000408945153 1059022183 /nfs/dbraw/zinc/02/21/83/1059022183.db2.gz HINCNCXNOZFUCZ-SKALTOFESA-N 0 0 610.405 2.517 40 30 KFEBRN CCOc1ccc(C=NN[C@@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1 ZINC000408945318 1059022700 /nfs/dbraw/zinc/02/27/00/1059022700.db2.gz HJDCMYDOPSSTKC-BEQIRNJDSA-N 0 0 512.563 2.606 40 30 KFEBRN CCOc1ccc(C=NN[C@@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1 ZINC000408945319 1059591052 /nfs/dbraw/zinc/59/10/52/1059591052.db2.gz HJDCMYDOPSSTKC-BSEHWYNJSA-N 0 0 512.563 2.606 40 30 KFEBRN CCOc1ccc(C=NN[C@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1 ZINC000408945320 1059022767 /nfs/dbraw/zinc/02/27/67/1059022767.db2.gz HJDCMYDOPSSTKC-UCYCTBOASA-N 0 0 512.563 2.606 40 30 KFEBRN CCOc1ccc(C=NN[C@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1 ZINC000408945321 1059022746 /nfs/dbraw/zinc/02/27/46/1059022746.db2.gz HJDCMYDOPSSTKC-UJHCQMTCSA-N 0 0 512.563 2.606 40 30 KFEBRN C#CCOc1c(C=NN[C@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc(Br)cc1OC ZINC000408945322 1059022631 /nfs/dbraw/zinc/02/26/31/1059022631.db2.gz HJIPRDJDQPTTCN-AWQTYOERSA-N 0 0 631.480 2.990 40 30 KFEBRN C#CCOc1c(C=NN[C@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc(Br)cc1OC ZINC000408945323 1059591177 /nfs/dbraw/zinc/59/11/77/1059591177.db2.gz HJIPRDJDQPTTCN-FZBVERTKSA-N 0 0 631.480 2.990 40 30 KFEBRN C#CCOc1c(C=NN[C@@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc(Br)cc1OC ZINC000408945324 1059022558 /nfs/dbraw/zinc/02/25/58/1059022558.db2.gz HJIPRDJDQPTTCN-QERSVGBZSA-N 0 0 631.480 2.990 40 30 KFEBRN C#CCOc1c(C=NN[C@@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc(Br)cc1OC ZINC000408945325 1059591072 /nfs/dbraw/zinc/59/10/72/1059591072.db2.gz HJIPRDJDQPTTCN-ZSGIBSASSA-N 0 0 631.480 2.990 40 30 KFEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Cl)ccc1OCC#N ZINC000408945442 1059590979 /nfs/dbraw/zinc/59/09/79/1059590979.db2.gz HOHBJUNXQLCKIT-ALUZHPLXSA-N 0 0 557.991 2.763 40 30 KFEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Cl)ccc1OCC#N ZINC000408945445 1059022677 /nfs/dbraw/zinc/02/26/77/1059022677.db2.gz HOHBJUNXQLCKIT-DEKUJFBWSA-N 0 0 557.991 2.763 40 30 KFEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Cl)ccc1OCC#N ZINC000408945446 1059591136 /nfs/dbraw/zinc/59/11/36/1059591136.db2.gz HOHBJUNXQLCKIT-HMWBBYHBSA-N 0 0 557.991 2.763 40 30 KFEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Cl)ccc1OCC#N ZINC000408945449 1059591514 /nfs/dbraw/zinc/59/15/14/1059591514.db2.gz HOHBJUNXQLCKIT-RLWAIIQZSA-N 0 0 557.991 2.763 40 30 KFEBRN C#CCOc1c(Br)cc(C=NN[C@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1OC ZINC000408945864 1059022654 /nfs/dbraw/zinc/02/26/54/1059022654.db2.gz HVRMPCQKFIVPOY-BWABIVLKSA-N 0 0 631.480 2.990 40 30 KFEBRN C#CCOc1c(Br)cc(C=NN[C@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1OC ZINC000408945867 1059591116 /nfs/dbraw/zinc/59/11/16/1059591116.db2.gz HVRMPCQKFIVPOY-NUQBMMRGSA-N 0 0 631.480 2.990 40 30 KFEBRN C#CCOc1c(Br)cc(C=NN[C@@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1OC ZINC000408945871 1059591157 /nfs/dbraw/zinc/59/11/57/1059591157.db2.gz HVRMPCQKFIVPOY-UHSBKBDLSA-N 0 0 631.480 2.990 40 30 KFEBRN C#CCOc1c(Br)cc(C=NN[C@@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1OC ZINC000408945874 1059591095 /nfs/dbraw/zinc/59/10/95/1059591095.db2.gz HVRMPCQKFIVPOY-VLBYHXBISA-N 0 0 631.480 2.990 40 30 KFEBRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cccc(OCC#N)c4)c(=O)n32)cc1OCC ZINC000408945948 1059022723 /nfs/dbraw/zinc/02/27/23/1059022723.db2.gz OIPYDDXCBOZXSD-AKKXDVJXSA-N 0 0 519.579 2.718 40 30 KFEBRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C/c4cccc(OCC#N)c4)c(=O)n32)cc1OCC ZINC000408945951 1059590850 /nfs/dbraw/zinc/59/08/50/1059590850.db2.gz OIPYDDXCBOZXSD-PQBKBUHISA-N 0 0 519.579 2.718 40 30 KFEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Cl)ccc1O ZINC000408945998 1059590754 /nfs/dbraw/zinc/59/07/54/1059590754.db2.gz HZPVJUMOPDSDMR-FJLGLVMOSA-N 0 0 518.954 2.566 40 30 KFEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Cl)ccc1O ZINC000408946003 1059022590 /nfs/dbraw/zinc/02/25/90/1059022590.db2.gz HZPVJUMOPDSDMR-ROKKHWFHSA-N 0 0 518.954 2.566 40 30 KFEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Cl)ccc1O ZINC000408946005 1059590937 /nfs/dbraw/zinc/59/09/37/1059590937.db2.gz HZPVJUMOPDSDMR-SJLPXIOISA-N 0 0 518.954 2.566 40 30 KFEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Cl)ccc1O ZINC000408946008 1059023149 /nfs/dbraw/zinc/02/31/49/1059023149.db2.gz HZPVJUMOPDSDMR-SKALTOFESA-N 0 0 518.954 2.566 40 30 KFEBRN C=CCOc1ccc(C=NN[C@@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1 ZINC000408946102 1059590683 /nfs/dbraw/zinc/59/06/83/1059590683.db2.gz IFCIILXLZHPXLN-ASZYGDGUSA-N 0 0 524.574 2.772 40 30 KFEBRN C=CCOc1ccc(C=NN[C@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1 ZINC000408946104 1059022964 /nfs/dbraw/zinc/02/29/64/1059022964.db2.gz IFCIILXLZHPXLN-BXLJIYODSA-N 0 0 524.574 2.772 40 30 KFEBRN C=CCOc1ccc(C=NN[C@@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1 ZINC000408946106 1059590708 /nfs/dbraw/zinc/59/07/08/1059590708.db2.gz IFCIILXLZHPXLN-HOCPYKBASA-N 0 0 524.574 2.772 40 30 KFEBRN C=CCOc1ccc(C=NN[C@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1 ZINC000408946108 1059590834 /nfs/dbraw/zinc/59/08/34/1059590834.db2.gz IFCIILXLZHPXLN-VFCBNBPQSA-N 0 0 524.574 2.772 40 30 KFEBRN CCOc1ccc([C@@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccccc4OCC#N)c(=O)n32)cc1OCC ZINC000408946112 1059590795 /nfs/dbraw/zinc/59/07/95/1059590795.db2.gz OXPRGPATUCMYOM-GBQPJDALSA-N 0 0 519.579 2.718 40 30 KFEBRN CCOc1ccc([C@H]2C(C(=O)OC)=CN=c3s/c(=C\c4ccccc4OCC#N)c(=O)n32)cc1OCC ZINC000408946113 1059590884 /nfs/dbraw/zinc/59/08/84/1059590884.db2.gz OXPRGPATUCMYOM-HKPSVDRMSA-N 0 0 519.579 2.718 40 30 KFEBRN CCOc1cc(C=NN[C@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)ccc1OCC#N ZINC000408946218 1059024576 /nfs/dbraw/zinc/02/45/76/1059024576.db2.gz IGTJLZVNWMIXNP-JDHIBWLUSA-N 0 0 567.599 2.508 40 30 KFEBRN CCOc1cc(C=NN[C@@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)ccc1OCC#N ZINC000408946219 1059024435 /nfs/dbraw/zinc/02/44/35/1059024435.db2.gz IGTJLZVNWMIXNP-LDTLGUNKSA-N 0 0 567.599 2.508 40 30 KFEBRN CCOc1cc(C=NN[C@@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)ccc1OCC#N ZINC000408946221 1059590295 /nfs/dbraw/zinc/59/02/95/1059590295.db2.gz IGTJLZVNWMIXNP-PHGNHSODSA-N 0 0 567.599 2.508 40 30 KFEBRN CCOc1cc(C=NN[C@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)ccc1OCC#N ZINC000408946223 1059590152 /nfs/dbraw/zinc/59/01/52/1059590152.db2.gz IGTJLZVNWMIXNP-ZSCWCSKLSA-N 0 0 567.599 2.508 40 30 KFEBRN CCCOc1ccc(C=NN[C@@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1 ZINC000408946225 1059590274 /nfs/dbraw/zinc/59/02/74/1059590274.db2.gz IGUVQTDMERTNKH-ASZYGDGUSA-N 0 0 526.590 2.996 40 30 KFEBRN CCCOc1ccc(C=NN[C@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1 ZINC000408946228 1059024553 /nfs/dbraw/zinc/02/45/53/1059024553.db2.gz IGUVQTDMERTNKH-BXLJIYODSA-N 0 0 526.590 2.996 40 30 KFEBRN CCCOc1ccc(C=NN[C@@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1 ZINC000408946230 1059024461 /nfs/dbraw/zinc/02/44/61/1059024461.db2.gz IGUVQTDMERTNKH-HOCPYKBASA-N 0 0 526.590 2.996 40 30 KFEBRN CCCOc1ccc(C=NN[C@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1 ZINC000408946232 1059590215 /nfs/dbraw/zinc/59/02/15/1059590215.db2.gz IGUVQTDMERTNKH-VFCBNBPQSA-N 0 0 526.590 2.996 40 30 KFEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cn(CC#N)c2ccccc12 ZINC000408946325 1059590314 /nfs/dbraw/zinc/59/03/14/1059590314.db2.gz IOEATBINOGCJGU-AGISTJLNSA-N 0 0 546.584 2.685 40 30 KFEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cn(CC#N)c2ccccc12 ZINC000408946328 1059024529 /nfs/dbraw/zinc/02/45/29/1059024529.db2.gz IOEATBINOGCJGU-BTPASDPISA-N 0 0 546.584 2.685 40 30 KFEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cn(CC#N)c2ccccc12 ZINC000408946330 1059590730 /nfs/dbraw/zinc/59/07/30/1059590730.db2.gz IOEATBINOGCJGU-MEGFMSEWSA-N 0 0 546.584 2.685 40 30 KFEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cn(CC#N)c2ccccc12 ZINC000408946331 1059590870 /nfs/dbraw/zinc/59/08/70/1059590870.db2.gz IOEATBINOGCJGU-ROVNBSOASA-N 0 0 546.584 2.685 40 30 KFEBRN C=CCc1cc(C=NN[C@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)ccc1OC ZINC000408946352 1059024502 /nfs/dbraw/zinc/02/45/02/1059024502.db2.gz IPAMTIYRIMJVDY-IGSAFADJSA-N 0 0 538.601 2.944 40 30 KFEBRN C=CCc1cc(C=NN[C@@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)ccc1OC ZINC000408946354 1059590256 /nfs/dbraw/zinc/59/02/56/1059590256.db2.gz IPAMTIYRIMJVDY-MLPXVHMNSA-N 0 0 538.601 2.944 40 30 KFEBRN C=CCc1cc(C=NN[C@@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)ccc1OC ZINC000408946804 1059589632 /nfs/dbraw/zinc/58/96/32/1059589632.db2.gz IPAMTIYRIMJVDY-SVRGBRSRSA-N 0 0 538.601 2.944 40 30 KFEBRN C=CCc1cc(C=NN[C@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)ccc1OC ZINC000408946806 1059589751 /nfs/dbraw/zinc/58/97/51/1059589751.db2.gz IPAMTIYRIMJVDY-WOEPFXTOSA-N 0 0 538.601 2.944 40 30 KFEBRN C#CCOc1cc(Br)c(C=NN[C@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1OC ZINC000408946826 1059024410 /nfs/dbraw/zinc/02/44/10/1059024410.db2.gz IQILGKFZADSHPF-AAGWNSTHSA-N 0 0 631.480 2.990 40 30 KFEBRN C#CCOc1cc(Br)c(C=NN[C@@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1OC ZINC000408946827 1059024385 /nfs/dbraw/zinc/02/43/85/1059024385.db2.gz IQILGKFZADSHPF-BFLMKNSRSA-N 0 0 631.480 2.990 40 30 KFEBRN C#CCOc1cc(Br)c(C=NN[C@@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1OC ZINC000408946828 1059024483 /nfs/dbraw/zinc/02/44/83/1059024483.db2.gz IQILGKFZADSHPF-IRFUYVAMSA-N 0 0 631.480 2.990 40 30 KFEBRN C#CCOc1cc(Br)c(C=NN[C@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1OC ZINC000408946829 1059589568 /nfs/dbraw/zinc/58/95/68/1059589568.db2.gz IQILGKFZADSHPF-MSNSGGQWSA-N 0 0 631.480 2.990 40 30 KFEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(N2CCCCC2)o1 ZINC000408946893 1059024847 /nfs/dbraw/zinc/02/48/47/1059024847.db2.gz IXIKZIMIMIEPTI-ABDBYYMNSA-N 0 0 541.605 2.790 40 30 KFEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(N2CCCCC2)o1 ZINC000408946896 1059589589 /nfs/dbraw/zinc/58/95/89/1059589589.db2.gz IXIKZIMIMIEPTI-HYISASTESA-N 0 0 541.605 2.790 40 30 KFEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(N2CCCCC2)o1 ZINC000408946897 1059589654 /nfs/dbraw/zinc/58/96/54/1059589654.db2.gz IXIKZIMIMIEPTI-UIAHHWCESA-N 0 0 541.605 2.790 40 30 KFEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(N2CCCCC2)o1 ZINC000408946898 1059590195 /nfs/dbraw/zinc/59/01/95/1059590195.db2.gz IXIKZIMIMIEPTI-XPRZIIGNSA-N 0 0 541.605 2.790 40 30 KFEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1c(C)n(CC#N)c2ccccc12 ZINC000408946915 1059025011 /nfs/dbraw/zinc/02/50/11/1059025011.db2.gz IXPMQUOWXFNDJA-AYUSUKFDSA-N 0 0 560.611 2.994 40 30 KFEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1c(C)n(CC#N)c2ccccc12 ZINC000408946917 1059590237 /nfs/dbraw/zinc/59/02/37/1059590237.db2.gz IXPMQUOWXFNDJA-DJWYDINGSA-N 0 0 560.611 2.994 40 30 KFEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1c(C)n(CC#N)c2ccccc12 ZINC000408946919 1059589767 /nfs/dbraw/zinc/58/97/67/1059589767.db2.gz IXPMQUOWXFNDJA-NNAQDJHZSA-N 0 0 560.611 2.994 40 30 KFEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1c(C)n(CC#N)c2ccccc12 ZINC000408946920 1059024986 /nfs/dbraw/zinc/02/49/86/1059024986.db2.gz IXPMQUOWXFNDJA-QGSRPVLBSA-N 0 0 560.611 2.994 40 30 KFEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(I)cc1 ZINC000408947445 1059603056 /nfs/dbraw/zinc/60/30/56/1059603056.db2.gz JITGSTULACMTDS-GKIICUKPSA-N 0 0 594.406 2.812 40 30 KFEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(I)cc1 ZINC000408947446 1059603129 /nfs/dbraw/zinc/60/31/29/1059603129.db2.gz JITGSTULACMTDS-GSKHPKCTSA-N 0 0 594.406 2.812 40 30 KFEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(I)cc1 ZINC000408947447 1059024898 /nfs/dbraw/zinc/02/48/98/1059024898.db2.gz JITGSTULACMTDS-JXTZEJCMSA-N 0 0 594.406 2.812 40 30 KFEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(I)cc1 ZINC000408947451 1059024917 /nfs/dbraw/zinc/02/49/17/1059024917.db2.gz JITGSTULACMTDS-XIABNSLWSA-N 0 0 594.406 2.812 40 30 KFEBRN CCOC(=O)COc1c(Br)cc(C=NN[C@@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1OC ZINC000408947739 1059603248 /nfs/dbraw/zinc/60/32/48/1059603248.db2.gz JOVAQRCWRJQCBA-ANXAOISFSA-N 0 0 679.521 2.920 40 30 KFEBRN CCOC(=O)COc1c(Br)cc(C=NN[C@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1OC ZINC000408947741 1059603084 /nfs/dbraw/zinc/60/30/84/1059603084.db2.gz JOVAQRCWRJQCBA-CAVNYTLZSA-N 0 0 679.521 2.920 40 30 KFEBRN CCOC(=O)COc1c(Br)cc(C=NN[C@@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1OC ZINC000408947744 1059603224 /nfs/dbraw/zinc/60/32/24/1059603224.db2.gz JOVAQRCWRJQCBA-CPVPUQAFSA-N 0 0 679.521 2.920 40 30 KFEBRN CCOC(=O)COc1c(Br)cc(C=NN[C@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1OC ZINC000408947749 1059603146 /nfs/dbraw/zinc/60/31/46/1059603146.db2.gz JOVAQRCWRJQCBA-HKTILGSXSA-N 0 0 679.521 2.920 40 30 KFEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Br)c(OC(C)=O)c(OC)c1 ZINC000408948486 1059602594 /nfs/dbraw/zinc/60/25/94/1059602594.db2.gz KKJXGTMBSNKZAY-MIODOHMVSA-N 0 0 635.468 2.904 40 30 KFEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Br)c(OC(C)=O)c(OC)c1 ZINC000408948488 1059602584 /nfs/dbraw/zinc/60/25/84/1059602584.db2.gz KKJXGTMBSNKZAY-OSTBNYECSA-N 0 0 635.468 2.904 40 30 KFEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Br)c(OC(C)=O)c(OC)c1 ZINC000408948490 1059024961 /nfs/dbraw/zinc/02/49/61/1059024961.db2.gz KKJXGTMBSNKZAY-QHGCRHBNSA-N 0 0 635.468 2.904 40 30 KFEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Br)c(OC(C)=O)c(OC)c1 ZINC000408948492 1059602608 /nfs/dbraw/zinc/60/26/08/1059602608.db2.gz KKJXGTMBSNKZAY-QOZUPEJLSA-N 0 0 635.468 2.904 40 30 KFEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Br)cc(OC)c1OC ZINC000408948653 1059602599 /nfs/dbraw/zinc/60/25/99/1059602599.db2.gz KWKBUKCFRXNNAP-BNFQWOKNSA-N 0 0 607.458 2.987 40 30 KFEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Br)cc(OC)c1OC ZINC000408948656 1059025438 /nfs/dbraw/zinc/02/54/38/1059025438.db2.gz KWKBUKCFRXNNAP-HNCLAJARSA-N 0 0 607.458 2.987 40 30 KFEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Br)cc(OC)c1OC ZINC000408948660 1059602589 /nfs/dbraw/zinc/60/25/89/1059602589.db2.gz KWKBUKCFRXNNAP-IRPDQSHZSA-N 0 0 607.458 2.987 40 30 KFEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Br)cc(OC)c1OC ZINC000408948662 1059602568 /nfs/dbraw/zinc/60/25/68/1059602568.db2.gz KWKBUKCFRXNNAP-XFCWRSKXSA-N 0 0 607.458 2.987 40 30 KFEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(OC)c(OCC(=O)OC)cc1Br ZINC000408948978 1059025459 /nfs/dbraw/zinc/02/54/59/1059025459.db2.gz LFAFSQRIZGSNIQ-AVDGESPESA-N 0 0 665.494 2.530 40 30 KFEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(OC)c(OCC(=O)OC)cc1Br ZINC000408948982 1059601241 /nfs/dbraw/zinc/60/12/41/1059601241.db2.gz LFAFSQRIZGSNIQ-CGEQCMOISA-N 0 0 665.494 2.530 40 30 KFEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(OC)c(OCC(=O)OC)cc1Br ZINC000408948984 1059601372 /nfs/dbraw/zinc/60/13/72/1059601372.db2.gz LFAFSQRIZGSNIQ-LOBFRZCMSA-N 0 0 665.494 2.530 40 30 KFEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(OC)c(OCC(=O)OC)cc1Br ZINC000408948988 1059601440 /nfs/dbraw/zinc/60/14/40/1059601440.db2.gz LFAFSQRIZGSNIQ-LYDNPOASSA-N 0 0 665.494 2.530 40 30 KFEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(O)c(Br)c1 ZINC000408949385 1059601391 /nfs/dbraw/zinc/60/13/91/1059601391.db2.gz LLGPXQAJBQTXOB-FJLGLVMOSA-N 0 0 563.405 2.675 40 30 KFEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(O)c(Br)c1 ZINC000408949388 1059601271 /nfs/dbraw/zinc/60/12/71/1059601271.db2.gz LLGPXQAJBQTXOB-ROKKHWFHSA-N 0 0 563.405 2.675 40 30 KFEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(O)c(Br)c1 ZINC000408949390 1059601344 /nfs/dbraw/zinc/60/13/44/1059601344.db2.gz LLGPXQAJBQTXOB-SJLPXIOISA-N 0 0 563.405 2.675 40 30 KFEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(O)c(Br)c1 ZINC000408949393 1059601204 /nfs/dbraw/zinc/60/12/04/1059601204.db2.gz LLGPXQAJBQTXOB-SKALTOFESA-N 0 0 563.405 2.675 40 30 KFEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Br)c(OC)c([N+](=O)[O-])c1 ZINC000408949401 1059023917 /nfs/dbraw/zinc/02/39/17/1059023917.db2.gz LMLBFOHMJBOJRY-MKMNMNSVSA-N 0 0 622.429 2.886 40 30 KFEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Br)c(OC)c([N+](=O)[O-])c1 ZINC000408949405 1059601459 /nfs/dbraw/zinc/60/14/59/1059601459.db2.gz LMLBFOHMJBOJRY-OKFFUVHGSA-N 0 0 622.429 2.886 40 30 KFEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Br)c(OC)c([N+](=O)[O-])c1 ZINC000408949409 1059002385 /nfs/dbraw/zinc/00/23/85/1059002385.db2.gz LMLBFOHMJBOJRY-UWHXHJIVSA-N 0 0 622.429 2.886 40 30 KFEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Br)c(OC)c([N+](=O)[O-])c1 ZINC000408949411 1059023979 /nfs/dbraw/zinc/02/39/79/1059023979.db2.gz LMLBFOHMJBOJRY-VZHUXCPHSA-N 0 0 622.429 2.886 40 30 KFEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(OC)c(OCC#N)cc1Br ZINC000408950155 1059599781 /nfs/dbraw/zinc/59/97/81/1059599781.db2.gz MDBVDLTYSGEBNN-AUPNAIJXSA-N 0 0 632.468 2.881 40 30 KFEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(OC)c(OCC#N)cc1Br ZINC000408950158 1059600820 /nfs/dbraw/zinc/60/08/20/1059600820.db2.gz MDBVDLTYSGEBNN-FTJUKMFUSA-N 0 0 632.468 2.881 40 30 KFEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(OC)c(OCC#N)cc1Br ZINC000408950161 1059023956 /nfs/dbraw/zinc/02/39/56/1059023956.db2.gz MDBVDLTYSGEBNN-RKVFUIQRSA-N 0 0 632.468 2.881 40 30 KFEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(OC)c(OCC#N)cc1Br ZINC000408950165 1059600786 /nfs/dbraw/zinc/60/07/86/1059600786.db2.gz MDBVDLTYSGEBNN-YOLVJKMWSA-N 0 0 632.468 2.881 40 30 KFEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(N(CC)CC)o1 ZINC000408950218 1059600741 /nfs/dbraw/zinc/60/07/41/1059600741.db2.gz MEDGYTGJPKWSEI-MZUBRCSQSA-N 0 0 529.594 2.646 40 30 KFEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(N(CC)CC)o1 ZINC000408950224 1059023881 /nfs/dbraw/zinc/02/38/81/1059023881.db2.gz MEDGYTGJPKWSEI-VUFFNQAGSA-N 0 0 529.594 2.646 40 30 KFEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(N(CC)CC)o1 ZINC000408950227 1059600809 /nfs/dbraw/zinc/60/08/09/1059600809.db2.gz MEDGYTGJPKWSEI-YIRKNMPWSA-N 0 0 529.594 2.646 40 30 KFEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(N(CC)CC)o1 ZINC000408950230 1059600777 /nfs/dbraw/zinc/60/07/77/1059600777.db2.gz MEDGYTGJPKWSEI-ZUDSGTIFSA-N 0 0 529.594 2.646 40 30 KFEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(Cl)cc1 ZINC000408950555 1059599827 /nfs/dbraw/zinc/59/98/27/1059599827.db2.gz MHVQXVCORNGPLS-GKIICUKPSA-N 0 0 502.955 2.861 40 30 KFEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(Cl)cc1 ZINC000408950556 1059024599 /nfs/dbraw/zinc/02/45/99/1059024599.db2.gz MHVQXVCORNGPLS-GSKHPKCTSA-N 0 0 502.955 2.861 40 30 KFEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(Cl)cc1 ZINC000408950557 1059599802 /nfs/dbraw/zinc/59/98/02/1059599802.db2.gz MHVQXVCORNGPLS-JXTZEJCMSA-N 0 0 502.955 2.861 40 30 KFEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(Cl)cc1 ZINC000408950559 1059599846 /nfs/dbraw/zinc/59/98/46/1059599846.db2.gz MHVQXVCORNGPLS-XIABNSLWSA-N 0 0 502.955 2.861 40 30 KFEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000408950594 1059599888 /nfs/dbraw/zinc/59/98/88/1059599888.db2.gz MJCFGJSJEOBLAU-FJLGLVMOSA-N 0 0 547.952 2.769 40 30 KFEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000408950596 1059599706 /nfs/dbraw/zinc/59/97/06/1059599706.db2.gz MJCFGJSJEOBLAU-ROKKHWFHSA-N 0 0 547.952 2.769 40 30 KFEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000408950598 1059599912 /nfs/dbraw/zinc/59/99/12/1059599912.db2.gz MJCFGJSJEOBLAU-SJLPXIOISA-N 0 0 547.952 2.769 40 30 KFEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(Cl)c([N+](=O)[O-])c1 ZINC000408950601 1059599865 /nfs/dbraw/zinc/59/98/65/1059599865.db2.gz MJCFGJSJEOBLAU-SKALTOFESA-N 0 0 547.952 2.769 40 30 KFEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Br)cc(OC)c1OCC#N ZINC000408951305 1059598668 /nfs/dbraw/zinc/59/86/68/1059598668.db2.gz NAVJBHNMXOFXLQ-AJGOVQJNSA-N 0 0 632.468 2.881 40 30 KFEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Br)cc(OC)c1OCC#N ZINC000408951308 1059025972 /nfs/dbraw/zinc/02/59/72/1059025972.db2.gz NAVJBHNMXOFXLQ-PAMIDSDESA-N 0 0 632.468 2.881 40 30 KFEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Br)cc(OC)c1OCC#N ZINC000408951310 1059598694 /nfs/dbraw/zinc/59/86/94/1059598694.db2.gz NAVJBHNMXOFXLQ-RXKYXHDOSA-N 0 0 632.468 2.881 40 30 KFEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Br)cc(OC)c1OCC#N ZINC000408951312 1059599326 /nfs/dbraw/zinc/59/93/26/1059599326.db2.gz NAVJBHNMXOFXLQ-UALNODDKSA-N 0 0 632.468 2.881 40 30 KFEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(OC)c(OC)cc1Br ZINC000408951402 1059599358 /nfs/dbraw/zinc/59/93/58/1059599358.db2.gz NEZVGYUQIRHZNY-DXMAAPQNSA-N 0 0 607.458 2.987 40 30 KFEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(OC)c(OC)cc1Br ZINC000408951407 1059599385 /nfs/dbraw/zinc/59/93/85/1059599385.db2.gz NEZVGYUQIRHZNY-FBPNJDHYSA-N 0 0 607.458 2.987 40 30 KFEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(OC)c(OC)cc1Br ZINC000408951411 1059026259 /nfs/dbraw/zinc/02/62/59/1059026259.db2.gz NEZVGYUQIRHZNY-FYCKPONMSA-N 0 0 607.458 2.987 40 30 KFEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(OC)c(OC)cc1Br ZINC000408951416 1059026165 /nfs/dbraw/zinc/02/61/65/1059026165.db2.gz NEZVGYUQIRHZNY-STCKJLINSA-N 0 0 607.458 2.987 40 30 KFEBRN CCOC(=O)COc1ccc(Cl)cc1C=NN[C@@H](O)COc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)cc1OCC ZINC000408951419 1059599276 /nfs/dbraw/zinc/59/92/76/1059599276.db2.gz NGLSWZCHAQTBFV-CFGCOTJXSA-N 0 0 605.044 2.802 40 30 KFEBRN CCOC(=O)COc1ccc(Cl)cc1C=NN[C@H](O)COc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)cc1OCC ZINC000408951427 1059026389 /nfs/dbraw/zinc/02/63/89/1059026389.db2.gz NGLSWZCHAQTBFV-HPJJTQMGSA-N 0 0 605.044 2.802 40 30 KFEBRN CCOC(=O)COc1ccc(Cl)cc1C=NN[C@H](O)COc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)OC)cc1OCC ZINC000408951429 1059599404 /nfs/dbraw/zinc/59/94/04/1059599404.db2.gz NGLSWZCHAQTBFV-JCUCPVSQSA-N 0 0 605.044 2.802 40 30 KFEBRN CCOC(=O)COc1ccc(Cl)cc1C=NN[C@@H](O)COc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)OC)cc1OCC ZINC000408951432 1059026348 /nfs/dbraw/zinc/02/63/48/1059026348.db2.gz NGLSWZCHAQTBFV-YVDXJWROSA-N 0 0 605.044 2.802 40 30 KFEBRN C#CCOc1ccc(C=NN[C@@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1I ZINC000408951844 1059598641 /nfs/dbraw/zinc/59/86/41/1059598641.db2.gz NMIRHTKWOUBOJA-ANHJNJTBSA-N 0 0 648.454 2.824 40 30 KFEBRN C#CCOc1ccc(C=NN[C@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1I ZINC000408951848 1059598800 /nfs/dbraw/zinc/59/88/00/1059598800.db2.gz NMIRHTKWOUBOJA-GCKFMUFSSA-N 0 0 648.454 2.824 40 30 KFEBRN C#CCOc1ccc(C=NN[C@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1I ZINC000408951851 1059026323 /nfs/dbraw/zinc/02/63/23/1059026323.db2.gz NMIRHTKWOUBOJA-LAEJIHLVSA-N 0 0 648.454 2.824 40 30 KFEBRN C#CCOc1ccc(C=NN[C@@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1I ZINC000408951856 1059026282 /nfs/dbraw/zinc/02/62/82/1059026282.db2.gz NMIRHTKWOUBOJA-SIJOXOPISA-N 0 0 648.454 2.824 40 30 KFEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cn(C)c2ccccc12 ZINC000408951859 1059026369 /nfs/dbraw/zinc/02/63/69/1059026369.db2.gz NMVIMOYIZKVVPR-GOVMPBKZSA-N 0 0 521.574 2.699 40 30 KFEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cn(C)c2ccccc12 ZINC000408951865 1059598841 /nfs/dbraw/zinc/59/88/41/1059598841.db2.gz NMVIMOYIZKVVPR-IVYSKLEZSA-N 0 0 521.574 2.699 40 30 KFEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cn(C)c2ccccc12 ZINC000408951868 1059026191 /nfs/dbraw/zinc/02/61/91/1059026191.db2.gz NMVIMOYIZKVVPR-VDODVPKASA-N 0 0 521.574 2.699 40 30 KFEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cn(C)c2ccccc12 ZINC000408951874 1059598620 /nfs/dbraw/zinc/59/86/20/1059598620.db2.gz NMVIMOYIZKVVPR-ZIYLOLFDSA-N 0 0 521.574 2.699 40 30 KFEBRN C#CCOc1c(C=NN[C@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc(I)cc1OC ZINC000408952024 1059598862 /nfs/dbraw/zinc/59/88/62/1059598862.db2.gz NTHRIWQVGULYNG-AWQTYOERSA-N 0 0 678.480 2.832 40 30 KFEBRN C#CCOc1c(C=NN[C@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc(I)cc1OC ZINC000408952027 1059026680 /nfs/dbraw/zinc/02/66/80/1059026680.db2.gz NTHRIWQVGULYNG-FZBVERTKSA-N 0 0 678.480 2.832 40 30 KFEBRN C#CCOc1c(C=NN[C@@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc(I)cc1OC ZINC000408952030 1059598091 /nfs/dbraw/zinc/59/80/91/1059598091.db2.gz NTHRIWQVGULYNG-QERSVGBZSA-N 0 0 678.480 2.832 40 30 KFEBRN C#CCOc1c(C=NN[C@@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc(I)cc1OC ZINC000408952033 1059598179 /nfs/dbraw/zinc/59/81/79/1059598179.db2.gz NTHRIWQVGULYNG-ZSGIBSASSA-N 0 0 678.480 2.832 40 30 KFEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccccc1Cl ZINC000408952356 1059597621 /nfs/dbraw/zinc/59/76/21/1059597621.db2.gz OAIVXRRDETVNRP-GKIICUKPSA-N 0 0 502.955 2.861 40 30 KFEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccccc1Cl ZINC000408952358 1059598199 /nfs/dbraw/zinc/59/81/99/1059598199.db2.gz OAIVXRRDETVNRP-GSKHPKCTSA-N 0 0 502.955 2.861 40 30 KFEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccccc1Cl ZINC000408952359 1059598219 /nfs/dbraw/zinc/59/82/19/1059598219.db2.gz OAIVXRRDETVNRP-JXTZEJCMSA-N 0 0 502.955 2.861 40 30 KFEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccccc1Cl ZINC000408952361 1059598039 /nfs/dbraw/zinc/59/80/39/1059598039.db2.gz OAIVXRRDETVNRP-XIABNSLWSA-N 0 0 502.955 2.861 40 30 KFEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Br)ccc1OC ZINC000408952363 1059598116 /nfs/dbraw/zinc/59/81/16/1059598116.db2.gz OANURRKTZFDMTD-LHAPWRFNSA-N 0 0 577.432 2.978 40 30 KFEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Br)ccc1OC ZINC000408952365 1059598061 /nfs/dbraw/zinc/59/80/61/1059598061.db2.gz OANURRKTZFDMTD-MYGYPVSFSA-N 0 0 577.432 2.978 40 30 KFEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Br)ccc1OC ZINC000408952367 1059598016 /nfs/dbraw/zinc/59/80/16/1059598016.db2.gz OANURRKTZFDMTD-SCHWWVHOSA-N 0 0 577.432 2.978 40 30 KFEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Br)ccc1OC ZINC000408952370 1059598140 /nfs/dbraw/zinc/59/81/40/1059598140.db2.gz OANURRKTZFDMTD-YNQPSPPSSA-N 0 0 577.432 2.978 40 30 KFEBRN CCOC(=O)COc1ccc(C=NN[C@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1OCC ZINC000408952438 1059598160 /nfs/dbraw/zinc/59/81/60/1059598160.db2.gz OBSQQEKKHNQJOV-FAVAOHFXSA-N 0 0 614.652 2.548 40 30 KFEBRN CCOC(=O)COc1ccc(C=NN[C@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1OCC ZINC000408952450 1059025542 /nfs/dbraw/zinc/02/55/42/1059025542.db2.gz OBSQQEKKHNQJOV-FRHNZQJJSA-N 0 0 614.652 2.548 40 30 KFEBRN C#CCOc1cccc(/C=c2/sc3n(c2=O)[C@H](c2ccc(OCC)c(OCC)c2)C(C(=O)OC)=CN=3)c1 ZINC000408952764 1059597544 /nfs/dbraw/zinc/59/75/44/1059597544.db2.gz VTLDEORXWWEEMI-JIOFHBDDSA-N 0 0 518.591 2.828 40 30 KFEBRN C#CCOc1cccc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(OCC)c(OCC)c2)C(C(=O)OC)=CN=3)c1 ZINC000408952767 1059025310 /nfs/dbraw/zinc/02/53/10/1059025310.db2.gz VTLDEORXWWEEMI-VVIXHQMUSA-N 0 0 518.591 2.828 40 30 KFEBRN CCOC(=O)COc1ccc(C=NN[C@@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1OCC ZINC000408952849 1059597695 /nfs/dbraw/zinc/59/76/95/1059597695.db2.gz OBSQQEKKHNQJOV-JPLVKNIASA-N 0 0 614.652 2.548 40 30 KFEBRN CCOC(=O)COc1ccc(C=NN[C@@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1OCC ZINC000408952850 1059597487 /nfs/dbraw/zinc/59/74/87/1059597487.db2.gz OBSQQEKKHNQJOV-XISDMNPLSA-N 0 0 614.652 2.548 40 30 KFEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Br)c(O)c(OC)c1 ZINC000408952869 1059597641 /nfs/dbraw/zinc/59/76/41/1059597641.db2.gz OEXYOUJXQRNMER-MKMNMNSVSA-N 0 0 593.431 2.684 40 30 KFEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Br)c(O)c(OC)c1 ZINC000408952870 1059025265 /nfs/dbraw/zinc/02/52/65/1059025265.db2.gz OEXYOUJXQRNMER-OKFFUVHGSA-N 0 0 593.431 2.684 40 30 KFEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Br)c(O)c(OC)c1 ZINC000408952871 1059597445 /nfs/dbraw/zinc/59/74/45/1059597445.db2.gz OEXYOUJXQRNMER-UWHXHJIVSA-N 0 0 593.431 2.684 40 30 KFEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Br)c(O)c(OC)c1 ZINC000408952872 1059025376 /nfs/dbraw/zinc/02/53/76/1059025376.db2.gz OEXYOUJXQRNMER-VZHUXCPHSA-N 0 0 593.431 2.684 40 30 KFEBRN CCOC(=O)COc1c(Br)cc(C=NN[C@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1[N+](=O)[O-] ZINC000408954333 1059002867 /nfs/dbraw/zinc/00/28/67/1059002867.db2.gz PKROGVICCRQBNA-MDKKWACSSA-N 0 0 694.492 2.820 40 30 KFEBRN CCOC(=O)COc1c(Br)cc(C=NN[C@@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1[N+](=O)[O-] ZINC000408954340 1059611206 /nfs/dbraw/zinc/61/12/06/1059611206.db2.gz PKROGVICCRQBNA-PXBMVEHQSA-N 0 0 694.492 2.820 40 30 KFEBRN CCOC(=O)COc1c(Br)cc(C=NN[C@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1[N+](=O)[O-] ZINC000408954343 1059025420 /nfs/dbraw/zinc/02/54/20/1059025420.db2.gz PKROGVICCRQBNA-RLHUFVPHSA-N 0 0 694.492 2.820 40 30 KFEBRN CCOC(=O)COc1c(Br)cc(C=NN[C@@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1[N+](=O)[O-] ZINC000408954347 1059611271 /nfs/dbraw/zinc/61/12/71/1059611271.db2.gz PKROGVICCRQBNA-SMCODTQGSA-N 0 0 694.492 2.820 40 30 KFEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc2c(cc1Cl)OCO2 ZINC000408954351 1059611263 /nfs/dbraw/zinc/61/12/63/1059611263.db2.gz PLBKKMFXTDZXCS-BBWWTVCLSA-N 0 0 546.964 2.589 40 30 KFEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc2c(cc1Cl)OCO2 ZINC000408954355 1059611252 /nfs/dbraw/zinc/61/12/52/1059611252.db2.gz PLBKKMFXTDZXCS-QPUQDTJSSA-N 0 0 546.964 2.589 40 30 KFEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc2c(cc1Cl)OCO2 ZINC000408954359 1059611214 /nfs/dbraw/zinc/61/12/14/1059611214.db2.gz PLBKKMFXTDZXCS-UIPVBVNDSA-N 0 0 546.964 2.589 40 30 KFEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc2c(cc1Cl)OCO2 ZINC000408954362 1059611278 /nfs/dbraw/zinc/61/12/78/1059611278.db2.gz PLBKKMFXTDZXCS-VJBBNLEKSA-N 0 0 546.964 2.589 40 30 KFEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(OC)c(O)cc1Br ZINC000408954380 1059610137 /nfs/dbraw/zinc/61/01/37/1059610137.db2.gz PLMLXUBEBBMORF-OBFIOROISA-N 0 0 593.431 2.684 40 30 KFEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(OC)c(O)cc1Br ZINC000408954383 1059611198 /nfs/dbraw/zinc/61/11/98/1059611198.db2.gz PLMLXUBEBBMORF-UYDRVICXSA-N 0 0 593.431 2.684 40 30 KFEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(OC)c(O)cc1Br ZINC000408954386 1059025243 /nfs/dbraw/zinc/02/52/43/1059025243.db2.gz PLMLXUBEBBMORF-YTLZXLKQSA-N 0 0 593.431 2.684 40 30 KFEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(OC)c(O)cc1Br ZINC000408954389 1059025789 /nfs/dbraw/zinc/02/57/89/1059025789.db2.gz PLMLXUBEBBMORF-ZLELVPKXSA-N 0 0 593.431 2.684 40 30 KFEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(OC)c(OC(C)=O)cc1Br ZINC000408954958 1059025838 /nfs/dbraw/zinc/02/58/38/1059025838.db2.gz PVPZVCNZIXCBLQ-FJHDUFGASA-N 0 0 635.468 2.904 40 30 KFEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(OC)c(OC(C)=O)cc1Br ZINC000408954959 1059609384 /nfs/dbraw/zinc/60/93/84/1059609384.db2.gz PVPZVCNZIXCBLQ-GFJNLDLDSA-N 0 0 635.468 2.904 40 30 KFEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(OC)c(OC(C)=O)cc1Br ZINC000408954961 1059609230 /nfs/dbraw/zinc/60/92/30/1059609230.db2.gz PVPZVCNZIXCBLQ-QCECDCMESA-N 0 0 635.468 2.904 40 30 KFEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(OC)c(OC(C)=O)cc1Br ZINC000408954963 1059610199 /nfs/dbraw/zinc/61/01/99/1059610199.db2.gz PVPZVCNZIXCBLQ-XXLVRETKSA-N 0 0 635.468 2.904 40 30 KFEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Br)c(OC)cc1OC ZINC000408954979 1059610163 /nfs/dbraw/zinc/61/01/63/1059610163.db2.gz PWNYWZYVOGJWQB-DXMAAPQNSA-N 0 0 607.458 2.987 40 30 KFEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Br)c(OC)cc1OC ZINC000408954981 1059610034 /nfs/dbraw/zinc/61/00/34/1059610034.db2.gz PWNYWZYVOGJWQB-FBPNJDHYSA-N 0 0 607.458 2.987 40 30 KFEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Br)c(OC)cc1OC ZINC000408954983 1059610178 /nfs/dbraw/zinc/61/01/78/1059610178.db2.gz PWNYWZYVOGJWQB-FYCKPONMSA-N 0 0 607.458 2.987 40 30 KFEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Br)c(OC)cc1OC ZINC000408954985 1059610212 /nfs/dbraw/zinc/61/02/12/1059610212.db2.gz PWNYWZYVOGJWQB-STCKJLINSA-N 0 0 607.458 2.987 40 30 KFEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Cl)c(OC)c(OC)c1 ZINC000408955003 1059610058 /nfs/dbraw/zinc/61/00/58/1059610058.db2.gz PXHRHCHGFWMRJA-LZUCMQGPSA-N 0 0 563.007 2.878 40 30 KFEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Cl)c(OC)c(OC)c1 ZINC000408955005 1059610073 /nfs/dbraw/zinc/61/00/73/1059610073.db2.gz PXHRHCHGFWMRJA-PCGMTTANSA-N 0 0 563.007 2.878 40 30 KFEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Cl)c(OC)c(OC)c1 ZINC000408955006 1059610096 /nfs/dbraw/zinc/61/00/96/1059610096.db2.gz PXHRHCHGFWMRJA-PZGWMSGBSA-N 0 0 563.007 2.878 40 30 KFEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Cl)c(OC)c(OC)c1 ZINC000408955008 1059025742 /nfs/dbraw/zinc/02/57/42/1059025742.db2.gz PXHRHCHGFWMRJA-QPXJVWDBSA-N 0 0 563.007 2.878 40 30 KFEBRN CCOc1cc(C=NN[C@@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc(Cl)c1O ZINC000408955500 1059609249 /nfs/dbraw/zinc/60/92/49/1059609249.db2.gz QNVZPFBMEHEVSN-LZUCMQGPSA-N 0 0 563.007 2.965 40 30 KFEBRN CCOc1cc(C=NN[C@@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc(Cl)c1O ZINC000408955505 1059609355 /nfs/dbraw/zinc/60/93/55/1059609355.db2.gz QNVZPFBMEHEVSN-PCGMTTANSA-N 0 0 563.007 2.965 40 30 KFEBRN CCOc1cc(C=NN[C@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc(Cl)c1O ZINC000408955509 1059609197 /nfs/dbraw/zinc/60/91/97/1059609197.db2.gz QNVZPFBMEHEVSN-PZGWMSGBSA-N 0 0 563.007 2.965 40 30 KFEBRN CCOc1cc(C=NN[C@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc(Cl)c1O ZINC000408955514 1059609302 /nfs/dbraw/zinc/60/93/02/1059609302.db2.gz QNVZPFBMEHEVSN-QPXJVWDBSA-N 0 0 563.007 2.965 40 30 KFEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(OC)c(C)c1 ZINC000408955528 1059609400 /nfs/dbraw/zinc/60/94/00/1059609400.db2.gz QPAYQROOHAVEBY-CZYGPWSVSA-N 0 0 512.563 2.524 40 30 KFEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(OC)c(C)c1 ZINC000408955533 1059025860 /nfs/dbraw/zinc/02/58/60/1059025860.db2.gz QPAYQROOHAVEBY-GSJUJJHQSA-N 0 0 512.563 2.524 40 30 KFEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(OC)c(C)c1 ZINC000408955536 1059608081 /nfs/dbraw/zinc/60/80/81/1059608081.db2.gz QPAYQROOHAVEBY-YNMPAXSUSA-N 0 0 512.563 2.524 40 30 KFEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(OC)c(C)c1 ZINC000408955540 1059025767 /nfs/dbraw/zinc/02/57/67/1059025767.db2.gz QPAYQROOHAVEBY-ZOLLBZJMSA-N 0 0 512.563 2.524 40 30 KFEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(Br)o1 ZINC000408955581 1059025885 /nfs/dbraw/zinc/02/58/85/1059025885.db2.gz QREDMLXKDXDOAU-NANPPUGASA-N 0 0 537.367 2.563 40 30 KFEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(Br)o1 ZINC000408955592 1059608027 /nfs/dbraw/zinc/60/80/27/1059608027.db2.gz QREDMLXKDXDOAU-RXPUKQNLSA-N 0 0 537.367 2.563 40 30 KFEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(Br)o1 ZINC000408955594 1059608044 /nfs/dbraw/zinc/60/80/44/1059608044.db2.gz QREDMLXKDXDOAU-YNKHZBRRSA-N 0 0 537.367 2.563 40 30 KFEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(Br)o1 ZINC000408955597 1059608138 /nfs/dbraw/zinc/60/81/38/1059608138.db2.gz QREDMLXKDXDOAU-ZCTVUFTBSA-N 0 0 537.367 2.563 40 30 KFEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1c(C)[nH]c2ccccc21 ZINC000408955599 1059608126 /nfs/dbraw/zinc/60/81/26/1059608126.db2.gz QRJWTILDFLTVAA-GPSDBIQVSA-N 0 0 521.574 2.997 40 30 KFEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1c(C)[nH]c2ccccc21 ZINC000408955604 1059607975 /nfs/dbraw/zinc/60/79/75/1059607975.db2.gz QRJWTILDFLTVAA-JYUWGMNDSA-N 0 0 521.574 2.997 40 30 KFEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1c(C)[nH]c2ccccc21 ZINC000408955608 1059608009 /nfs/dbraw/zinc/60/80/09/1059608009.db2.gz QRJWTILDFLTVAA-NJCZOMIOSA-N 0 0 521.574 2.997 40 30 KFEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1c(C)[nH]c2ccccc21 ZINC000408955610 1059608065 /nfs/dbraw/zinc/60/80/65/1059608065.db2.gz QRJWTILDFLTVAA-NKKZKYQCSA-N 0 0 521.574 2.997 40 30 KFEBRN COC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OCC#N)c(=O)n2[C@H]1c1cc(Cl)ccc1OC ZINC000408955611 1059608152 /nfs/dbraw/zinc/60/81/52/1059608152.db2.gz YOSHHBQLUNLRPB-AFHVAHMMSA-N 0 0 509.971 2.973 40 30 KFEBRN COC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OCC#N)c(=O)n2[C@@H]1c1cc(Cl)ccc1OC ZINC000408955613 1059608108 /nfs/dbraw/zinc/60/81/08/1059608108.db2.gz YOSHHBQLUNLRPB-ZRELAVNMSA-N 0 0 509.971 2.973 40 30 KFEBRN C=CCOc1c(C=NN[C@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cccc1OC ZINC000408955628 1059609418 /nfs/dbraw/zinc/60/94/18/1059609418.db2.gz QSSHBXHSECSKIK-IBKQCDLOSA-N 0 0 554.600 2.781 40 30 KFEBRN C=CCOc1c(C=NN[C@@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cccc1OC ZINC000408955630 1059609283 /nfs/dbraw/zinc/60/92/83/1059609283.db2.gz QSSHBXHSECSKIK-LBFCWPBRSA-N 0 0 554.600 2.781 40 30 KFEBRN C=CCOc1c(C=NN[C@@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cccc1OC ZINC000408955765 1059607277 /nfs/dbraw/zinc/60/72/77/1059607277.db2.gz QSSHBXHSECSKIK-POKFDZOHSA-N 0 0 554.600 2.781 40 30 KFEBRN C=CCOc1c(C=NN[C@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cccc1OC ZINC000408955767 1059025951 /nfs/dbraw/zinc/02/59/51/1059025951.db2.gz QSSHBXHSECSKIK-WSJKLEBUSA-N 0 0 554.600 2.781 40 30 KFEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(I)c(OCC(=O)OC)c(OCC)c1 ZINC000408955980 1059607363 /nfs/dbraw/zinc/60/73/63/1059607363.db2.gz RCAJATMQMOYOEO-ANXAOISFSA-N 0 0 726.521 2.762 40 30 KFEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(I)c(OCC(=O)OC)c(OCC)c1 ZINC000408955994 1059607306 /nfs/dbraw/zinc/60/73/06/1059607306.db2.gz RCAJATMQMOYOEO-CAVNYTLZSA-N 0 0 726.521 2.762 40 30 KFEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(I)c(OCC(=O)OC)c(OCC)c1 ZINC000408955997 1059607374 /nfs/dbraw/zinc/60/73/74/1059607374.db2.gz RCAJATMQMOYOEO-CPVPUQAFSA-N 0 0 726.521 2.762 40 30 KFEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(I)c(OCC(=O)OC)c(OCC)c1 ZINC000408955999 1059027032 /nfs/dbraw/zinc/02/70/32/1059027032.db2.gz RCAJATMQMOYOEO-HKTILGSXSA-N 0 0 726.521 2.762 40 30 KFEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Cl)ccc1OC ZINC000408956040 1059607292 /nfs/dbraw/zinc/60/72/92/1059607292.db2.gz RCMBRNMICKTBCN-LHAPWRFNSA-N 0 0 532.981 2.869 40 30 KFEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Cl)ccc1OC ZINC000408956045 1059607252 /nfs/dbraw/zinc/60/72/52/1059607252.db2.gz RCMBRNMICKTBCN-MYGYPVSFSA-N 0 0 532.981 2.869 40 30 KFEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Cl)ccc1OC ZINC000408956048 1059027127 /nfs/dbraw/zinc/02/71/27/1059027127.db2.gz RCMBRNMICKTBCN-SCHWWVHOSA-N 0 0 532.981 2.869 40 30 KFEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Cl)ccc1OC ZINC000408956050 1059607352 /nfs/dbraw/zinc/60/73/52/1059607352.db2.gz RCMBRNMICKTBCN-YNQPSPPSSA-N 0 0 532.981 2.869 40 30 KFEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(OC(C)=O)c(OCC)c1 ZINC000408956415 1059027476 /nfs/dbraw/zinc/02/74/76/1059027476.db2.gz RLEXHPSQLNQMGC-HLBKOFPLSA-N 0 0 570.599 2.531 40 30 KFEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(OC(C)=O)c(OCC)c1 ZINC000408956417 1059606311 /nfs/dbraw/zinc/60/63/11/1059606311.db2.gz RLEXHPSQLNQMGC-JFCQRZRWSA-N 0 0 570.599 2.531 40 30 KFEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(OC(C)=O)c(OCC)c1 ZINC000408956418 1059027425 /nfs/dbraw/zinc/02/74/25/1059027425.db2.gz RLEXHPSQLNQMGC-UJPZYCPGSA-N 0 0 570.599 2.531 40 30 KFEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(OC(C)=O)c(OCC)c1 ZINC000408956420 1059027450 /nfs/dbraw/zinc/02/74/50/1059027450.db2.gz RLEXHPSQLNQMGC-WAQZCJMBSA-N 0 0 570.599 2.531 40 30 KFEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(I)cc(OC)c1OCC#N ZINC000408956585 1059606334 /nfs/dbraw/zinc/60/63/34/1059606334.db2.gz RNLZGNLRSGDLQN-AJGOVQJNSA-N 0 0 679.468 2.723 40 30 KFEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(I)cc(OC)c1OCC#N ZINC000408956586 1059606215 /nfs/dbraw/zinc/60/62/15/1059606215.db2.gz RNLZGNLRSGDLQN-PAMIDSDESA-N 0 0 679.468 2.723 40 30 KFEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(I)cc(OC)c1OCC#N ZINC000408956587 1059606234 /nfs/dbraw/zinc/60/62/34/1059606234.db2.gz RNLZGNLRSGDLQN-RXKYXHDOSA-N 0 0 679.468 2.723 40 30 KFEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(I)cc(OC)c1OCC#N ZINC000408956588 1059606268 /nfs/dbraw/zinc/60/62/68/1059606268.db2.gz RNLZGNLRSGDLQN-UALNODDKSA-N 0 0 679.468 2.723 40 30 KFEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(OC(C)C)cc1 ZINC000408956652 1059606345 /nfs/dbraw/zinc/60/63/45/1059606345.db2.gz RQFFCHFOYAEBAH-DDFSSGQVSA-N 0 0 526.590 2.994 40 30 KFEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(OC(C)C)cc1 ZINC000408956655 1059606281 /nfs/dbraw/zinc/60/62/81/1059606281.db2.gz RQFFCHFOYAEBAH-FZEVWGAESA-N 0 0 526.590 2.994 40 30 KFEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(OC(C)C)cc1 ZINC000408956657 1059027619 /nfs/dbraw/zinc/02/76/19/1059027619.db2.gz RQFFCHFOYAEBAH-JEDKUOLWSA-N 0 0 526.590 2.994 40 30 KFEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(OC(C)C)cc1 ZINC000408956660 1059606300 /nfs/dbraw/zinc/60/63/00/1059606300.db2.gz RQFFCHFOYAEBAH-ZIAGWNQCSA-N 0 0 526.590 2.994 40 30 KFEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(I)cc(OC)c1OC ZINC000408956703 1059605268 /nfs/dbraw/zinc/60/52/68/1059605268.db2.gz RRFGCOBXUJILRC-BNFQWOKNSA-N 0 0 654.458 2.829 40 30 KFEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(I)cc(OC)c1OC ZINC000408956708 1059605339 /nfs/dbraw/zinc/60/53/39/1059605339.db2.gz RRFGCOBXUJILRC-HNCLAJARSA-N 0 0 654.458 2.829 40 30 KFEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(I)cc(OC)c1OC ZINC000408956711 1059605246 /nfs/dbraw/zinc/60/52/46/1059605246.db2.gz RRFGCOBXUJILRC-IRPDQSHZSA-N 0 0 654.458 2.829 40 30 KFEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(I)cc(OC)c1OC ZINC000408956714 1059605281 /nfs/dbraw/zinc/60/52/81/1059605281.db2.gz RRFGCOBXUJILRC-XFCWRSKXSA-N 0 0 654.458 2.829 40 30 KFEBRN COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC#N)c(OC)c3)c(=O)n2[C@H]1c1cc(Cl)ccc1OC ZINC000408956715 1059027403 /nfs/dbraw/zinc/02/74/03/1059027403.db2.gz ZMMKHFDSGPRPQI-JUTHHCEFSA-N 0 0 539.997 2.981 40 30 KFEBRN COC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC#N)c(OC)c3)c(=O)n2[C@@H]1c1cc(Cl)ccc1OC ZINC000408956721 1059605357 /nfs/dbraw/zinc/60/53/57/1059605357.db2.gz ZMMKHFDSGPRPQI-VVOOWDFBSA-N 0 0 539.997 2.981 40 30 KFEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(OC(C)=O)c(Br)c1 ZINC000408957054 1059604489 /nfs/dbraw/zinc/60/44/89/1059604489.db2.gz SAWCCZWBUXEBRR-MREIPRPDSA-N 0 0 605.442 2.895 40 30 KFEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(OC(C)=O)c(Br)c1 ZINC000408957057 1059027572 /nfs/dbraw/zinc/02/75/72/1059027572.db2.gz SAWCCZWBUXEBRR-RQIQZXEBSA-N 0 0 605.442 2.895 40 30 KFEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(OC(C)=O)c(Br)c1 ZINC000408957060 1059604471 /nfs/dbraw/zinc/60/44/71/1059604471.db2.gz SAWCCZWBUXEBRR-WCEAEALDSA-N 0 0 605.442 2.895 40 30 KFEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(OC(C)=O)c(Br)c1 ZINC000408957063 1059604445 /nfs/dbraw/zinc/60/44/45/1059604445.db2.gz SAWCCZWBUXEBRR-ZNEGETPVSA-N 0 0 605.442 2.895 40 30 KFEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Br)cc(OC)c1O ZINC000408957218 1059603203 /nfs/dbraw/zinc/60/32/03/1059603203.db2.gz SKVODJIPBBHPCK-MKMNMNSVSA-N 0 0 593.431 2.684 40 30 KFEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Br)cc(OC)c1O ZINC000408957220 1059603106 /nfs/dbraw/zinc/60/31/06/1059603106.db2.gz SKVODJIPBBHPCK-OKFFUVHGSA-N 0 0 593.431 2.684 40 30 KFEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Br)cc(OC)c1O ZINC000408957222 1059027643 /nfs/dbraw/zinc/02/76/43/1059027643.db2.gz SKVODJIPBBHPCK-UWHXHJIVSA-N 0 0 593.431 2.684 40 30 KFEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Br)cc(OC)c1O ZINC000408957224 1059604458 /nfs/dbraw/zinc/60/44/58/1059604458.db2.gz SKVODJIPBBHPCK-VZHUXCPHSA-N 0 0 593.431 2.684 40 30 KFEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc2c(cc1Br)OCO2 ZINC000408957226 1059604419 /nfs/dbraw/zinc/60/44/19/1059604419.db2.gz SMDKTADVMDLHNV-BBWWTVCLSA-N 0 0 591.415 2.698 40 30 KFEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc2c(cc1Br)OCO2 ZINC000408957228 1059604477 /nfs/dbraw/zinc/60/44/77/1059604477.db2.gz SMDKTADVMDLHNV-QPUQDTJSSA-N 0 0 591.415 2.698 40 30 KFEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc2c(cc1Br)OCO2 ZINC000408957230 1059604401 /nfs/dbraw/zinc/60/44/01/1059604401.db2.gz SMDKTADVMDLHNV-UIPVBVNDSA-N 0 0 591.415 2.698 40 30 KFEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc2c(cc1Br)OCO2 ZINC000408957232 1059604502 /nfs/dbraw/zinc/60/45/02/1059604502.db2.gz SMDKTADVMDLHNV-VJBBNLEKSA-N 0 0 591.415 2.698 40 30 KFEBRN C=CCOc1ccc(C=NN[C@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1OC ZINC000408957419 1059622800 /nfs/dbraw/zinc/62/28/00/1059622800.db2.gz SXUDEOMNJGEXRJ-IGSAFADJSA-N 0 0 554.600 2.781 40 30 KFEBRN C=CCOc1ccc(C=NN[C@@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1OC ZINC000408957420 1059624058 /nfs/dbraw/zinc/62/40/58/1059624058.db2.gz SXUDEOMNJGEXRJ-MLPXVHMNSA-N 0 0 554.600 2.781 40 30 KFEBRN C=CCOc1ccc(C=NN[C@@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1OC ZINC000408957422 1059623995 /nfs/dbraw/zinc/62/39/95/1059623995.db2.gz SXUDEOMNJGEXRJ-SVRGBRSRSA-N 0 0 554.600 2.781 40 30 KFEBRN C=CCOc1ccc(C=NN[C@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1OC ZINC000408957424 1059624035 /nfs/dbraw/zinc/62/40/35/1059624035.db2.gz SXUDEOMNJGEXRJ-WOEPFXTOSA-N 0 0 554.600 2.781 40 30 KFEBRN C#CCOc1ccc(Br)cc1C=NN[C@@H](O)COc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)OC)cc1OCC ZINC000408957458 1059622751 /nfs/dbraw/zinc/62/27/51/1059622751.db2.gz TUEQTMHVPHASIY-CBLWXDATSA-N 0 0 601.454 2.982 40 30 KFEBRN C#CCOc1ccc(Br)cc1C=NN[C@@H](O)COc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)cc1OCC ZINC000408957460 1059622736 /nfs/dbraw/zinc/62/27/36/1059622736.db2.gz TUEQTMHVPHASIY-DTKWVCNXSA-N 0 0 601.454 2.982 40 30 KFEBRN C#CCOc1ccc(Br)cc1C=NN[C@H](O)COc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)OC)cc1OCC ZINC000408957463 1059622636 /nfs/dbraw/zinc/62/26/36/1059622636.db2.gz TUEQTMHVPHASIY-FSQDEPJESA-N 0 0 601.454 2.982 40 30 KFEBRN C#CCOc1ccc(Br)cc1C=NN[C@H](O)COc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)cc1OCC ZINC000408957465 1059028112 /nfs/dbraw/zinc/02/81/12/1059028112.db2.gz TUEQTMHVPHASIY-MCRYNVSCSA-N 0 0 601.454 2.982 40 30 KFEBRN C#CCOc1c(Cl)cc(C=NN[C@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1OC ZINC000408957502 1059028087 /nfs/dbraw/zinc/02/80/87/1059028087.db2.gz TWBKJOOYTGBBDU-BWABIVLKSA-N 0 0 587.029 2.881 40 30 KFEBRN C#CCOc1c(Cl)cc(C=NN[C@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1OC ZINC000408957503 1059622719 /nfs/dbraw/zinc/62/27/19/1059622719.db2.gz TWBKJOOYTGBBDU-NUQBMMRGSA-N 0 0 587.029 2.881 40 30 KFEBRN C#CCOc1c(Cl)cc(C=NN[C@@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1OC ZINC000408957505 1059622699 /nfs/dbraw/zinc/62/26/99/1059622699.db2.gz TWBKJOOYTGBBDU-UHSBKBDLSA-N 0 0 587.029 2.881 40 30 KFEBRN C#CCOc1c(Cl)cc(C=NN[C@@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1OC ZINC000408957506 1059622772 /nfs/dbraw/zinc/62/27/72/1059622772.db2.gz TWBKJOOYTGBBDU-VLBYHXBISA-N 0 0 587.029 2.881 40 30 KFEBRN C=CCc1cc(C=NN[C@@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc(OC)c1O ZINC000408957617 1059621774 /nfs/dbraw/zinc/62/17/74/1059621774.db2.gz TZULHENDROUXGE-ANHJNJTBSA-N 0 0 554.600 2.650 40 30 KFEBRN C=CCc1cc(C=NN[C@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc(OC)c1O ZINC000408957619 1059621854 /nfs/dbraw/zinc/62/18/54/1059621854.db2.gz TZULHENDROUXGE-GCKFMUFSSA-N 0 0 554.600 2.650 40 30 KFEBRN C=CCc1cc(C=NN[C@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc(OC)c1O ZINC000408957621 1059028060 /nfs/dbraw/zinc/02/80/60/1059028060.db2.gz TZULHENDROUXGE-LAEJIHLVSA-N 0 0 554.600 2.650 40 30 KFEBRN C=CCc1cc(C=NN[C@@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc(OC)c1O ZINC000408957623 1059622684 /nfs/dbraw/zinc/62/26/84/1059622684.db2.gz TZULHENDROUXGE-SIJOXOPISA-N 0 0 554.600 2.650 40 30 KFEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(OC)c(I)c1 ZINC000408957625 1059622788 /nfs/dbraw/zinc/62/27/88/1059622788.db2.gz UAXNVGINIXDANS-NSCYZXDASA-N 0 0 624.432 2.820 40 30 KFEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(OC)c(I)c1 ZINC000408957627 1059622672 /nfs/dbraw/zinc/62/26/72/1059622672.db2.gz UAXNVGINIXDANS-UXGPZQCPSA-N 0 0 624.432 2.820 40 30 KFEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(OC)c(I)c1 ZINC000408957628 1059027981 /nfs/dbraw/zinc/02/79/81/1059027981.db2.gz UAXNVGINIXDANS-YBCQCJFKSA-N 0 0 624.432 2.820 40 30 KFEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(OC)c(I)c1 ZINC000408957630 1059027959 /nfs/dbraw/zinc/02/79/59/1059027959.db2.gz UAXNVGINIXDANS-ZOWGGAOYSA-N 0 0 624.432 2.820 40 30 KFEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Br)c(OCC(=O)OC)c(OC)c1 ZINC000408957916 1059621881 /nfs/dbraw/zinc/62/18/81/1059621881.db2.gz UORKIPDKDYTDOF-CRNNCATQSA-N 0 0 665.494 2.530 40 30 KFEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Br)c(OCC(=O)OC)c(OC)c1 ZINC000408957917 1059621927 /nfs/dbraw/zinc/62/19/27/1059621927.db2.gz UORKIPDKDYTDOF-DHYSAPCYSA-N 0 0 665.494 2.530 40 30 KFEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Br)c(OCC(=O)OC)c(OC)c1 ZINC000408957918 1059027859 /nfs/dbraw/zinc/02/78/59/1059027859.db2.gz UORKIPDKDYTDOF-NQVRMTPQSA-N 0 0 665.494 2.530 40 30 KFEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Br)c(OCC(=O)OC)c(OC)c1 ZINC000408957919 1059028004 /nfs/dbraw/zinc/02/80/04/1059028004.db2.gz UORKIPDKDYTDOF-QNNRQLQASA-N 0 0 665.494 2.530 40 30 KFEBRN C#CCOc1ccc(C=NN[C@@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1Br ZINC000408958032 1059619616 /nfs/dbraw/zinc/61/96/16/1059619616.db2.gz UVRHBLZULCUDBC-ANHJNJTBSA-N 0 0 601.454 2.982 40 30 KFEBRN C#CCOc1ccc(C=NN[C@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1Br ZINC000408958034 1059620562 /nfs/dbraw/zinc/62/05/62/1059620562.db2.gz UVRHBLZULCUDBC-GCKFMUFSSA-N 0 0 601.454 2.982 40 30 KFEBRN C#CCOc1ccc(C=NN[C@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1Br ZINC000408958036 1059620496 /nfs/dbraw/zinc/62/04/96/1059620496.db2.gz UVRHBLZULCUDBC-LAEJIHLVSA-N 0 0 601.454 2.982 40 30 KFEBRN C#CCOc1ccc(C=NN[C@@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1Br ZINC000408958038 1059620682 /nfs/dbraw/zinc/62/06/82/1059620682.db2.gz UVRHBLZULCUDBC-SIJOXOPISA-N 0 0 601.454 2.982 40 30 KFEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc([N+](=O)[O-])ccc1Cl ZINC000408958052 1059620704 /nfs/dbraw/zinc/62/07/04/1059620704.db2.gz UWRRYOPNSNHRRL-FJLGLVMOSA-N 0 0 547.952 2.769 40 30 KFEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc([N+](=O)[O-])ccc1Cl ZINC000408958054 1059620591 /nfs/dbraw/zinc/62/05/91/1059620591.db2.gz UWRRYOPNSNHRRL-ROKKHWFHSA-N 0 0 547.952 2.769 40 30 KFEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc([N+](=O)[O-])ccc1Cl ZINC000408958056 1059620634 /nfs/dbraw/zinc/62/06/34/1059620634.db2.gz UWRRYOPNSNHRRL-SJLPXIOISA-N 0 0 547.952 2.769 40 30 KFEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc([N+](=O)[O-])ccc1Cl ZINC000408958058 1059620526 /nfs/dbraw/zinc/62/05/26/1059620526.db2.gz UWRRYOPNSNHRRL-SKALTOFESA-N 0 0 547.952 2.769 40 30 KFEBRN CCOc1ccc(C=NN[C@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1OC ZINC000408958111 1059002968 /nfs/dbraw/zinc/00/29/68/1059002968.db2.gz VFYZTGIBGNJXDF-DDFSSGQVSA-N 0 0 542.589 2.614 40 30 KFEBRN CCOc1ccc(C=NN[C@@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1OC ZINC000408958112 1059620607 /nfs/dbraw/zinc/62/06/07/1059620607.db2.gz VFYZTGIBGNJXDF-FZEVWGAESA-N 0 0 542.589 2.614 40 30 KFEBRN CCOc1ccc(C=NN[C@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1OC ZINC000408958113 1059027936 /nfs/dbraw/zinc/02/79/36/1059027936.db2.gz VFYZTGIBGNJXDF-JEDKUOLWSA-N 0 0 542.589 2.614 40 30 KFEBRN CCOc1ccc(C=NN[C@@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1OC ZINC000408958114 1059620543 /nfs/dbraw/zinc/62/05/43/1059620543.db2.gz VFYZTGIBGNJXDF-ZIAGWNQCSA-N 0 0 542.589 2.614 40 30 KFEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Br)c(OCC#N)c([N+](=O)[O-])c1 ZINC000408958115 1059620653 /nfs/dbraw/zinc/62/06/53/1059620653.db2.gz VHKLPHHPMXVSHX-IUEPJTOMSA-N 0 0 647.439 2.780 40 30 KFEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Br)c(OCC#N)c([N+](=O)[O-])c1 ZINC000408958116 1059621842 /nfs/dbraw/zinc/62/18/42/1059621842.db2.gz VHKLPHHPMXVSHX-MRNXNEAZSA-N 0 0 647.439 2.780 40 30 KFEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Br)c(OCC#N)c([N+](=O)[O-])c1 ZINC000408958117 1059621796 /nfs/dbraw/zinc/62/17/96/1059621796.db2.gz VHKLPHHPMXVSHX-QVZULWIFSA-N 0 0 647.439 2.780 40 30 KFEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Br)c(OCC#N)c([N+](=O)[O-])c1 ZINC000408958118 1059621867 /nfs/dbraw/zinc/62/18/67/1059621867.db2.gz VHKLPHHPMXVSHX-WPZFTOAKSA-N 0 0 647.439 2.780 40 30 KFEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1c[nH]c2ccccc12 ZINC000408958135 1059027912 /nfs/dbraw/zinc/02/79/12/1059027912.db2.gz VIDICEFHDXQWSS-IRWRDOPVSA-N 0 0 507.547 2.688 40 30 KFEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1c[nH]c2ccccc12 ZINC000408958136 1059621811 /nfs/dbraw/zinc/62/18/11/1059621811.db2.gz VIDICEFHDXQWSS-IYYUSKDXSA-N 0 0 507.547 2.688 40 30 KFEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1c[nH]c2ccccc12 ZINC000408958137 1059621915 /nfs/dbraw/zinc/62/19/15/1059621915.db2.gz VIDICEFHDXQWSS-JKUJXJLCSA-N 0 0 507.547 2.688 40 30 KFEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1c[nH]c2ccccc12 ZINC000408958138 1059621828 /nfs/dbraw/zinc/62/18/28/1059621828.db2.gz VIDICEFHDXQWSS-RLWCNIOGSA-N 0 0 507.547 2.688 40 30 KFEBRN CCOC(=O)COc1c(Cl)cc(C=NN[C@@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1OC ZINC000408958293 1059619661 /nfs/dbraw/zinc/61/96/61/1059619661.db2.gz VLUNQVFALXWPKA-ANXAOISFSA-N 0 0 635.070 2.811 40 30 KFEBRN CCOC(=O)COc1c(Cl)cc(C=NN[C@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1OC ZINC000408958294 1059619585 /nfs/dbraw/zinc/61/95/85/1059619585.db2.gz VLUNQVFALXWPKA-CAVNYTLZSA-N 0 0 635.070 2.811 40 30 KFEBRN CCOC(=O)COc1c(Cl)cc(C=NN[C@@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1OC ZINC000408958295 1059619627 /nfs/dbraw/zinc/61/96/27/1059619627.db2.gz VLUNQVFALXWPKA-CPVPUQAFSA-N 0 0 635.070 2.811 40 30 KFEBRN CCOC(=O)COc1c(Cl)cc(C=NN[C@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1OC ZINC000408958296 1059027888 /nfs/dbraw/zinc/02/78/88/1059027888.db2.gz VLUNQVFALXWPKA-HKTILGSXSA-N 0 0 635.070 2.811 40 30 KFEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(OCC#N)c(Br)c1 ZINC000408958297 1059028275 /nfs/dbraw/zinc/02/82/75/1059028275.db2.gz VMFFYRQEADRSQL-JPWUEOFHSA-N 0 0 602.442 2.872 40 30 KFEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(OCC#N)c(Br)c1 ZINC000408958298 1059028420 /nfs/dbraw/zinc/02/84/20/1059028420.db2.gz VMFFYRQEADRSQL-LXIFSBEASA-N 0 0 602.442 2.872 40 30 KFEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(OCC#N)c(Br)c1 ZINC000408958299 1059619610 /nfs/dbraw/zinc/61/96/10/1059619610.db2.gz VMFFYRQEADRSQL-RXVUIVJYSA-N 0 0 602.442 2.872 40 30 KFEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(OCC#N)c(Br)c1 ZINC000408958300 1059619644 /nfs/dbraw/zinc/61/96/44/1059619644.db2.gz VMFFYRQEADRSQL-ZSQGPWTJSA-N 0 0 602.442 2.872 40 30 KFEBRN C#CCOc1c(Br)cc(C=NN[C@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1[N+](=O)[O-] ZINC000408958301 1059619602 /nfs/dbraw/zinc/61/96/02/1059619602.db2.gz VMUWRIMGOKQJKM-ALUZHPLXSA-N 0 0 646.451 2.890 40 30 KFEBRN C#CCOc1c(Br)cc(C=NN[C@@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1[N+](=O)[O-] ZINC000408958302 1059619596 /nfs/dbraw/zinc/61/95/96/1059619596.db2.gz VMUWRIMGOKQJKM-DEKUJFBWSA-N 0 0 646.451 2.890 40 30 KFEBRN C#CCOc1c(Br)cc(C=NN[C@@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1[N+](=O)[O-] ZINC000408958303 1059028442 /nfs/dbraw/zinc/02/84/42/1059028442.db2.gz VMUWRIMGOKQJKM-HMWBBYHBSA-N 0 0 646.451 2.890 40 30 KFEBRN C#CCOc1c(Br)cc(C=NN[C@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1[N+](=O)[O-] ZINC000408958304 1059028328 /nfs/dbraw/zinc/02/83/28/1059028328.db2.gz VMUWRIMGOKQJKM-RLWAIIQZSA-N 0 0 646.451 2.890 40 30 KFEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(OCC#N)c(I)c1 ZINC000408958548 1059618899 /nfs/dbraw/zinc/61/88/99/1059618899.db2.gz WGFUFTVZTOADGC-JPWUEOFHSA-N 0 0 649.442 2.714 40 30 KFEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(OCC#N)c(I)c1 ZINC000408958550 1059618923 /nfs/dbraw/zinc/61/89/23/1059618923.db2.gz WGFUFTVZTOADGC-LXIFSBEASA-N 0 0 649.442 2.714 40 30 KFEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(OCC#N)c(I)c1 ZINC000408958552 1059619574 /nfs/dbraw/zinc/61/95/74/1059619574.db2.gz WGFUFTVZTOADGC-RXVUIVJYSA-N 0 0 649.442 2.714 40 30 KFEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(OCC#N)c(I)c1 ZINC000408958554 1059619650 /nfs/dbraw/zinc/61/96/50/1059619650.db2.gz WGFUFTVZTOADGC-ZSQGPWTJSA-N 0 0 649.442 2.714 40 30 KFEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Cl)c(OCC#N)c(OC)c1 ZINC000408958722 1059618795 /nfs/dbraw/zinc/61/87/95/1059618795.db2.gz WMYVUWFGLAQWLE-ADODYWCFSA-N 0 0 588.017 2.771 40 30 KFEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Cl)c(OCC#N)c(OC)c1 ZINC000408958723 1059618843 /nfs/dbraw/zinc/61/88/43/1059618843.db2.gz WMYVUWFGLAQWLE-IFFKDRNLSA-N 0 0 588.017 2.771 40 30 KFEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Cl)c(OCC#N)c(OC)c1 ZINC000408958724 1059618941 /nfs/dbraw/zinc/61/89/41/1059618941.db2.gz WMYVUWFGLAQWLE-OZORCGAZSA-N 0 0 588.017 2.771 40 30 KFEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Cl)c(OCC#N)c(OC)c1 ZINC000408958725 1059618878 /nfs/dbraw/zinc/61/88/78/1059618878.db2.gz WMYVUWFGLAQWLE-SREUWLBMSA-N 0 0 588.017 2.771 40 30 KFEBRN CCOC(=O)COc1c(C=NN[C@@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc(I)cc1OC ZINC000408958788 1059613254 /nfs/dbraw/zinc/61/32/54/1059613254.db2.gz WTFBSAZSVZKJJF-AFPWNFEBSA-N 0 0 726.521 2.762 40 30 KFEBRN CCOC(=O)COc1c(C=NN[C@@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc(I)cc1OC ZINC000408958789 1059613282 /nfs/dbraw/zinc/61/32/82/1059613282.db2.gz WTFBSAZSVZKJJF-IHWMPTITSA-N 0 0 726.521 2.762 40 30 KFEBRN CCOC(=O)COc1c(C=NN[C@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc(I)cc1OC ZINC000408958790 1059026586 /nfs/dbraw/zinc/02/65/86/1059026586.db2.gz WTFBSAZSVZKJJF-OFWLHAAJSA-N 0 0 726.521 2.762 40 30 KFEBRN CCOC(=O)COc1c(C=NN[C@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc(I)cc1OC ZINC000408958791 1059613373 /nfs/dbraw/zinc/61/33/73/1059613373.db2.gz WTFBSAZSVZKJJF-YSIUDXQCSA-N 0 0 726.521 2.762 40 30 KFEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(OCC(=O)OC)c(Br)c1 ZINC000408958906 1059617442 /nfs/dbraw/zinc/61/74/42/1059617442.db2.gz XHONYGBCXSAEOZ-CADZONQXSA-N 0 0 635.468 2.521 40 30 KFEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(OCC(=O)OC)c(Br)c1 ZINC000408958907 1059617404 /nfs/dbraw/zinc/61/74/04/1059617404.db2.gz XHONYGBCXSAEOZ-CAPGBIOCSA-N 0 0 635.468 2.521 40 30 KFEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(OCC(=O)OC)c(Br)c1 ZINC000408958908 1059617304 /nfs/dbraw/zinc/61/73/04/1059617304.db2.gz XHONYGBCXSAEOZ-QRDZMATFSA-N 0 0 635.468 2.521 40 30 KFEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(OCC(=O)OC)c(Br)c1 ZINC000408958909 1059026610 /nfs/dbraw/zinc/02/66/10/1059026610.db2.gz XHONYGBCXSAEOZ-SOCKCTBZSA-N 0 0 635.468 2.521 40 30 KFEBRN CCOC(=O)COc1c(I)cc(C=NN[C@@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1OC ZINC000408958924 1059617459 /nfs/dbraw/zinc/61/74/59/1059617459.db2.gz XJNSOULKUDBYLD-ANXAOISFSA-N 0 0 726.521 2.762 40 30 KFEBRN CCOC(=O)COc1c(I)cc(C=NN[C@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1OC ZINC000408958925 1059617480 /nfs/dbraw/zinc/61/74/80/1059617480.db2.gz XJNSOULKUDBYLD-CAVNYTLZSA-N 0 0 726.521 2.762 40 30 KFEBRN CCOC(=O)COc1c(I)cc(C=NN[C@@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1OC ZINC000408958926 1059026720 /nfs/dbraw/zinc/02/67/20/1059026720.db2.gz XJNSOULKUDBYLD-CPVPUQAFSA-N 0 0 726.521 2.762 40 30 KFEBRN CCOC(=O)COc1c(I)cc(C=NN[C@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1OC ZINC000408958927 1059617324 /nfs/dbraw/zinc/61/73/24/1059617324.db2.gz XJNSOULKUDBYLD-HKTILGSXSA-N 0 0 726.521 2.762 40 30 KFEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cccc(I)c1 ZINC000408958958 1059617253 /nfs/dbraw/zinc/61/72/53/1059617253.db2.gz XOWWCWYZCHURAV-GKIICUKPSA-N 0 0 594.406 2.812 40 30 KFEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cccc(I)c1 ZINC000408958959 1059617423 /nfs/dbraw/zinc/61/74/23/1059617423.db2.gz XOWWCWYZCHURAV-GSKHPKCTSA-N 0 0 594.406 2.812 40 30 KFEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cccc(I)c1 ZINC000408958960 1059618828 /nfs/dbraw/zinc/61/88/28/1059618828.db2.gz XOWWCWYZCHURAV-JXTZEJCMSA-N 0 0 594.406 2.812 40 30 KFEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cccc(I)c1 ZINC000408958961 1059026637 /nfs/dbraw/zinc/02/66/37/1059026637.db2.gz XOWWCWYZCHURAV-XIABNSLWSA-N 0 0 594.406 2.812 40 30 KFEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(I)c(OC)c(OC)c1 ZINC000408959030 1059618858 /nfs/dbraw/zinc/61/88/58/1059618858.db2.gz YAWJXEWJJJHKFK-LZUCMQGPSA-N 0 0 654.458 2.829 40 30 KFEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(I)c(OC)c(OC)c1 ZINC000408959031 1059618765 /nfs/dbraw/zinc/61/87/65/1059618765.db2.gz YAWJXEWJJJHKFK-PCGMTTANSA-N 0 0 654.458 2.829 40 30 KFEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(I)c(OC)c(OC)c1 ZINC000408959032 1059026665 /nfs/dbraw/zinc/02/66/65/1059026665.db2.gz YAWJXEWJJJHKFK-PZGWMSGBSA-N 0 0 654.458 2.829 40 30 KFEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(I)c(OC)c(OC)c1 ZINC000408959033 1059618959 /nfs/dbraw/zinc/61/89/59/1059618959.db2.gz YAWJXEWJJJHKFK-QPXJVWDBSA-N 0 0 654.458 2.829 40 30 KFEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Br)c(OCC(=O)OC)c(OCC)c1 ZINC000408959110 1059616645 /nfs/dbraw/zinc/61/66/45/1059616645.db2.gz YHTBPUDLXSAFGV-ANXAOISFSA-N 0 0 679.521 2.920 40 30 KFEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Br)c(OCC(=O)OC)c(OCC)c1 ZINC000408959111 1059616703 /nfs/dbraw/zinc/61/67/03/1059616703.db2.gz YHTBPUDLXSAFGV-CAVNYTLZSA-N 0 0 679.521 2.920 40 30 KFEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Br)c(OCC(=O)OC)c(OCC)c1 ZINC000408959112 1059026739 /nfs/dbraw/zinc/02/67/39/1059026739.db2.gz YHTBPUDLXSAFGV-CPVPUQAFSA-N 0 0 679.521 2.920 40 30 KFEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Br)c(OCC(=O)OC)c(OCC)c1 ZINC000408959113 1059616692 /nfs/dbraw/zinc/61/66/92/1059616692.db2.gz YHTBPUDLXSAFGV-HKTILGSXSA-N 0 0 679.521 2.920 40 30 KFEBRN CCOC(=O)COc1ccc(Br)cc1C=NN[C@@H](O)COc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)cc1OCC ZINC000408959130 1059616684 /nfs/dbraw/zinc/61/66/84/1059616684.db2.gz YLBHVGBQOWYFQR-CFGCOTJXSA-N 0 0 649.495 2.912 40 30 KFEBRN CCOC(=O)COc1ccc(Br)cc1C=NN[C@H](O)COc1ccc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)cc1OCC ZINC000408959131 1059026792 /nfs/dbraw/zinc/02/67/92/1059026792.db2.gz YLBHVGBQOWYFQR-HPJJTQMGSA-N 0 0 649.495 2.912 40 30 KFEBRN CCOC(=O)COc1ccc(Br)cc1C=NN[C@H](O)COc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)OC)cc1OCC ZINC000408959132 1059616598 /nfs/dbraw/zinc/61/65/98/1059616598.db2.gz YLBHVGBQOWYFQR-JCUCPVSQSA-N 0 0 649.495 2.912 40 30 KFEBRN CCOC(=O)COc1ccc(Br)cc1C=NN[C@@H](O)COc1ccc([C@H]2NC(=O)NC(C)=C2C(=O)OC)cc1OCC ZINC000408959133 1059026702 /nfs/dbraw/zinc/02/67/02/1059026702.db2.gz YLBHVGBQOWYFQR-YVDXJWROSA-N 0 0 649.495 2.912 40 30 KFEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Br)ccc1O ZINC000408959144 1059616669 /nfs/dbraw/zinc/61/66/69/1059616669.db2.gz YMLOFNKBQLBAGM-CZNLDVMXSA-N 0 0 563.405 2.675 40 30 KFEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Br)ccc1O ZINC000408959145 1059616714 /nfs/dbraw/zinc/61/67/14/1059616714.db2.gz YMLOFNKBQLBAGM-DBFADYJMSA-N 0 0 563.405 2.675 40 30 KFEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Br)ccc1O ZINC000408959146 1059616567 /nfs/dbraw/zinc/61/65/67/1059616567.db2.gz YMLOFNKBQLBAGM-FBGZPKQPSA-N 0 0 563.405 2.675 40 30 KFEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Br)ccc1O ZINC000408959147 1059617372 /nfs/dbraw/zinc/61/73/72/1059617372.db2.gz YMLOFNKBQLBAGM-YZXKXALPSA-N 0 0 563.405 2.675 40 30 KFEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Br)ccc1OCC#N ZINC000408959152 1059027103 /nfs/dbraw/zinc/02/71/03/1059027103.db2.gz YNJQEPOLYKGQAH-JPWUEOFHSA-N 0 0 602.442 2.872 40 30 KFEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Br)ccc1OCC#N ZINC000408959153 1059617500 /nfs/dbraw/zinc/61/75/00/1059617500.db2.gz YNJQEPOLYKGQAH-LXIFSBEASA-N 0 0 602.442 2.872 40 30 KFEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Br)ccc1OCC#N ZINC000408959154 1059027148 /nfs/dbraw/zinc/02/71/48/1059027148.db2.gz YNJQEPOLYKGQAH-RXVUIVJYSA-N 0 0 602.442 2.872 40 30 KFEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Br)ccc1OCC#N ZINC000408959155 1059027193 /nfs/dbraw/zinc/02/71/93/1059027193.db2.gz YNJQEPOLYKGQAH-ZSQGPWTJSA-N 0 0 602.442 2.872 40 30 KFEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(SC)cc1 ZINC000408959204 1059611953 /nfs/dbraw/zinc/61/19/53/1059611953.db2.gz YSOZKPQYCXGRRZ-ASVXZCSJSA-N 0 0 514.604 2.929 40 30 KFEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(SC)cc1 ZINC000408959205 1059611997 /nfs/dbraw/zinc/61/19/97/1059611997.db2.gz YSOZKPQYCXGRRZ-LUHBCCLNSA-N 0 0 514.604 2.929 40 30 KFEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1ccc(SC)cc1 ZINC000408959206 1059613388 /nfs/dbraw/zinc/61/33/88/1059613388.db2.gz YSOZKPQYCXGRRZ-SRAHDCGTSA-N 0 0 514.604 2.929 40 30 KFEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1ccc(SC)cc1 ZINC000408959207 1059613205 /nfs/dbraw/zinc/61/32/05/1059613205.db2.gz YSOZKPQYCXGRRZ-UKQVIMOZSA-N 0 0 514.604 2.929 40 30 KFEBRN C=CCOc1cccc(C=NN[C@@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)c1 ZINC000408959308 1059612048 /nfs/dbraw/zinc/61/20/48/1059612048.db2.gz ZDRHTBKGAOHHPF-AHFUYDSTSA-N 0 0 524.574 2.772 40 30 KFEBRN C=CCOc1cccc(C=NN[C@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)c1 ZINC000408959309 1059612032 /nfs/dbraw/zinc/61/20/32/1059612032.db2.gz ZDRHTBKGAOHHPF-CLTIBCLCSA-N 0 0 524.574 2.772 40 30 KFEBRN C=CCOc1cccc(C=NN[C@@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)c1 ZINC000408959310 1059611932 /nfs/dbraw/zinc/61/19/32/1059611932.db2.gz ZDRHTBKGAOHHPF-SYUGGXAZSA-N 0 0 524.574 2.772 40 30 KFEBRN C=CCOc1cccc(C=NN[C@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)c1 ZINC000408959311 1059611979 /nfs/dbraw/zinc/61/19/79/1059611979.db2.gz ZDRHTBKGAOHHPF-YGCYWOBVSA-N 0 0 524.574 2.772 40 30 KFEBRN C#CCOc1c(I)cc(C=NN[C@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1OC ZINC000408959322 1059611967 /nfs/dbraw/zinc/61/19/67/1059611967.db2.gz ZFXALUHAJGEKFX-BWABIVLKSA-N 0 0 678.480 2.832 40 30 KFEBRN C#CCOc1c(I)cc(C=NN[C@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1OC ZINC000408959323 1059612016 /nfs/dbraw/zinc/61/20/16/1059612016.db2.gz ZFXALUHAJGEKFX-NUQBMMRGSA-N 0 0 678.480 2.832 40 30 KFEBRN C#CCOc1c(I)cc(C=NN[C@@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1OC ZINC000408959324 1059612093 /nfs/dbraw/zinc/61/20/93/1059612093.db2.gz ZFXALUHAJGEKFX-UHSBKBDLSA-N 0 0 678.480 2.832 40 30 KFEBRN C#CCOc1c(I)cc(C=NN[C@@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc1OC ZINC000408959325 1059027080 /nfs/dbraw/zinc/02/70/80/1059027080.db2.gz ZFXALUHAJGEKFX-VLBYHXBISA-N 0 0 678.480 2.832 40 30 KFEBRN CCOc1cc(C=NN[C@@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc(I)c1O ZINC000408959420 1059027172 /nfs/dbraw/zinc/02/71/72/1059027172.db2.gz ZPAKULQQDGWHLN-BNFQWOKNSA-N 0 0 654.458 2.916 40 30 KFEBRN CCOc1cc(C=NN[C@@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc(I)c1O ZINC000408959421 1059615336 /nfs/dbraw/zinc/61/53/36/1059615336.db2.gz ZPAKULQQDGWHLN-HNCLAJARSA-N 0 0 654.458 2.916 40 30 KFEBRN CCOc1cc(C=NN[C@H](O)COc2ccc([C@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc(I)c1O ZINC000408959422 1059027005 /nfs/dbraw/zinc/02/70/05/1059027005.db2.gz ZPAKULQQDGWHLN-IRPDQSHZSA-N 0 0 654.458 2.916 40 30 KFEBRN CCOc1cc(C=NN[C@H](O)COc2ccc([C@@H]3NC(=O)NC(C)=C3C(=O)OC)cc2OCC)cc(I)c1O ZINC000408959423 1059615212 /nfs/dbraw/zinc/61/52/12/1059615212.db2.gz ZPAKULQQDGWHLN-XFCWRSKXSA-N 0 0 654.458 2.916 40 30 KFEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Cl)c(O)c(OC)c1 ZINC000408959454 1059615287 /nfs/dbraw/zinc/61/52/87/1059615287.db2.gz ZSLBYJBBBWZGMX-MKMNMNSVSA-N 0 0 548.980 2.575 40 30 KFEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(Cl)c(O)c(OC)c1 ZINC000408959455 1059615357 /nfs/dbraw/zinc/61/53/57/1059615357.db2.gz ZSLBYJBBBWZGMX-OKFFUVHGSA-N 0 0 548.980 2.575 40 30 KFEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Cl)c(O)c(OC)c1 ZINC000408959456 1059615167 /nfs/dbraw/zinc/61/51/67/1059615167.db2.gz ZSLBYJBBBWZGMX-UWHXHJIVSA-N 0 0 548.980 2.575 40 30 KFEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(Cl)c(O)c(OC)c1 ZINC000408959457 1059615240 /nfs/dbraw/zinc/61/52/40/1059615240.db2.gz ZSLBYJBBBWZGMX-VZHUXCPHSA-N 0 0 548.980 2.575 40 30 KFEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(I)c(OC)c([N+](=O)[O-])c1 ZINC000408959470 1059615201 /nfs/dbraw/zinc/61/52/01/1059615201.db2.gz ZUULQXUWZQLPNU-MKMNMNSVSA-N 0 0 669.429 2.729 40 30 KFEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@@H](O)NN=Cc1cc(I)c(OC)c([N+](=O)[O-])c1 ZINC000408959471 1059615233 /nfs/dbraw/zinc/61/52/33/1059615233.db2.gz ZUULQXUWZQLPNU-OKFFUVHGSA-N 0 0 669.429 2.729 40 30 KFEBRN CCOc1cc([C@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(I)c(OC)c([N+](=O)[O-])c1 ZINC000408959472 1059616657 /nfs/dbraw/zinc/61/66/57/1059616657.db2.gz ZUULQXUWZQLPNU-UWHXHJIVSA-N 0 0 669.429 2.729 40 30 KFEBRN CCOc1cc([C@@H]2NC(=O)NC(C)=C2C(=O)OC)ccc1OC[C@H](O)NN=Cc1cc(I)c(OC)c([N+](=O)[O-])c1 ZINC000408959473 1059616637 /nfs/dbraw/zinc/61/66/37/1059616637.db2.gz ZUULQXUWZQLPNU-VZHUXCPHSA-N 0 0 669.429 2.729 40 30 KFEBRN C#CCOc1ccccc1/C=c1/sc2n(c1=O)[C@@H](c1cccc(OC)c1OCC)C(C(=O)OCCOC)=C(C)N=2 ZINC000408963560 1059028490 /nfs/dbraw/zinc/02/84/90/1059028490.db2.gz FUOOFGFIWKUBAX-INZJWMLVSA-N 0 0 562.644 2.844 40 30 KFEBRN C#CCOc1ccccc1/C=c1/sc2n(c1=O)[C@H](c1cccc(OC)c1OCC)C(C(=O)OCCOC)=C(C)N=2 ZINC000408963568 1059613293 /nfs/dbraw/zinc/61/32/93/1059613293.db2.gz FUOOFGFIWKUBAX-NQCZSQBNSA-N 0 0 562.644 2.844 40 30 KFEBRN CCOc1c(OC)cccc1[C@@H]1C(C(=O)OCCOC)=C(C)N=c2s/c(=C/c3cccc(OCC#N)c3)c(=O)n21 ZINC000408963610 1059613404 /nfs/dbraw/zinc/61/34/04/1059613404.db2.gz HPEUFBIZEKZNSH-LBKCIFGTSA-N 0 0 563.632 2.734 40 30 KFEBRN CCOc1c(OC)cccc1[C@H]1C(C(=O)OCCOC)=C(C)N=c2s/c(=C/c3cccc(OCC#N)c3)c(=O)n21 ZINC000408963613 1059613352 /nfs/dbraw/zinc/61/33/52/1059613352.db2.gz HPEUFBIZEKZNSH-QXHVWWCLSA-N 0 0 563.632 2.734 40 30 KFEBRN CCOc1c(OC)cccc1[C@@H]1C(C(=O)OCCOC)=C(C)N=c2s/c(=C/c3ccc(OCC#N)cc3)c(=O)n21 ZINC000408970012 1059625161 /nfs/dbraw/zinc/62/51/61/1059625161.db2.gz YPBGUBREMRFIAI-LBKCIFGTSA-N 0 0 563.632 2.734 40 30 KFEBRN CCOc1c(OC)cccc1[C@H]1C(C(=O)OCCOC)=C(C)N=c2s/c(=C/c3ccc(OCC#N)cc3)c(=O)n21 ZINC000408970013 1059625188 /nfs/dbraw/zinc/62/51/88/1059625188.db2.gz YPBGUBREMRFIAI-QXHVWWCLSA-N 0 0 563.632 2.734 40 30 KFEBRN COc1cc(C=NN=c2cc(N3CCOCC3)[nH]c(N3CCOCC3)n2)ccc1OC(=O)c1ccc(F)cc1 ZINC000408970235 1059625046 /nfs/dbraw/zinc/62/50/46/1059625046.db2.gz DCZJPUIXXFAMMH-RDRPBHBLSA-N 0 0 536.564 2.963 40 30 KFEBRN C#CCOc1c(/C=c2/sc3n(c2=O)[C@@H](c2cccc(OC)c2OCC)C(C(=O)OCCOC)=C(C)N=3)cc([N+](=O)[O-])cc1OC ZINC000408970451 1059625059 /nfs/dbraw/zinc/62/50/59/1059625059.db2.gz ICAMKDYOZINTHT-MKWGYRPRSA-N 0 0 637.667 2.761 40 30 KFEBRN C#CCOc1c(/C=c2/sc3n(c2=O)[C@H](c2cccc(OC)c2OCC)C(C(=O)OCCOC)=C(C)N=3)cc([N+](=O)[O-])cc1OC ZINC000408970452 1059028398 /nfs/dbraw/zinc/02/83/98/1059028398.db2.gz ICAMKDYOZINTHT-OCEWKHMESA-N 0 0 637.667 2.761 40 30 KFEBRN C#CCOc1ccc(/C=c2/sc3n(c2=O)[C@H](c2cccc(OC)c2OCC)C(C(=O)OCCOC)=C(C)N=3)cc1OC ZINC000408970589 1059625174 /nfs/dbraw/zinc/62/51/74/1059625174.db2.gz IVVVEMRVKYREPZ-NTWBUQQASA-N 0 0 592.670 2.853 40 30 KFEBRN C#CCOc1ccc(/C=c2/sc3n(c2=O)[C@@H](c2cccc(OC)c2OCC)C(C(=O)OCCOC)=C(C)N=3)cc1OC ZINC000408970590 1059625023 /nfs/dbraw/zinc/62/50/23/1059625023.db2.gz IVVVEMRVKYREPZ-XKGHIZKOSA-N 0 0 592.670 2.853 40 30 KFEBRN C#CCOc1c(/C=c2/sc3n(c2=O)[C@@H](c2cccc(OC)c2OCC)C(C(=O)OCCOC)=C(C)N=3)cccc1OC ZINC000408971560 1059624227 /nfs/dbraw/zinc/62/42/27/1059624227.db2.gz IYBRDCWUEQMLCH-INZJWMLVSA-N 0 0 592.670 2.853 40 30 KFEBRN C#CCOc1c(/C=c2/sc3n(c2=O)[C@H](c2cccc(OC)c2OCC)C(C(=O)OCCOC)=C(C)N=3)cccc1OC ZINC000408971561 1059625107 /nfs/dbraw/zinc/62/51/07/1059625107.db2.gz IYBRDCWUEQMLCH-NQCZSQBNSA-N 0 0 592.670 2.853 40 30 KFEBRN Cc1ccc(S(=O)(=O)Oc2cccc(C=NN=c3cc(N4CCOCC4)[nH]c(N4CCOCC4)n3)c2)cc1 ZINC000408971711 1059624204 /nfs/dbraw/zinc/62/42/04/1059624204.db2.gz PNFSVECQWINUJQ-ZXVVBBHZSA-N 0 0 538.630 2.672 40 30 KFEBRN C#CCOc1ccc(/C=c2/sc3n(c2=O)[C@@H](c2cccc(OC)c2OCC)C(C(=O)OCCOC)=C(C)N=3)cc1 ZINC000408971819 1059624165 /nfs/dbraw/zinc/62/41/65/1059624165.db2.gz QOOBLTBDBGJSLW-INZJWMLVSA-N 0 0 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