smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CNS(=O)(=O)c1cccc(NS(=O)(=O)c2c(Cl)cccc2Cl)c1 ZINC000029053049 551125636 /nfs/dbraw/zinc/12/56/36/551125636.db2.gz OWVLXXOLALRWQL-UHFFFAOYSA-N 0 2 395.289 2.702 20 0 GFADLN CCCCN(CCO)C(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1 ZINC000097201769 551196528 /nfs/dbraw/zinc/19/65/28/551196528.db2.gz LDHLIWVBEQBUBE-UHFFFAOYSA-N 0 2 382.507 2.784 20 0 GFADLN COc1cc(Br)c(S(=O)(=O)Nc2c(C)n[nH]c2C)cc1OC ZINC000124574692 551315666 /nfs/dbraw/zinc/31/56/66/551315666.db2.gz JJFSELQRQQUCPE-UHFFFAOYSA-N 0 2 390.259 2.607 20 0 GFADLN CC(=O)C[C@@H](C)NC(=O)Cc1ccc(NS(=O)(=O)c2cccs2)cc1 ZINC000128784285 551352423 /nfs/dbraw/zinc/35/24/23/551352423.db2.gz CHCATPRRSAPLRC-GFCCVEGCSA-N 0 2 380.491 2.575 20 0 GFADLN Cc1nn(C)c(C)c1S(=O)(=O)Nc1ccc(Sc2nncs2)cc1 ZINC000132855737 551379907 /nfs/dbraw/zinc/37/99/07/551379907.db2.gz GPMBRUUJCQVSAP-UHFFFAOYSA-N 0 2 381.508 2.840 20 0 GFADLN CS(=O)(=O)c1cccc(NS(=O)(=O)c2ccccc2OC(F)(F)F)c1 ZINC000142087965 551394739 /nfs/dbraw/zinc/39/47/39/551394739.db2.gz XPOMULDWEAAMOH-UHFFFAOYSA-N 0 2 395.380 2.790 20 0 GFADLN O=C(Nc1ccc2nn[nH]c2c1)c1cc(=O)[nH]c2c(Br)cccc12 ZINC000153289514 551449955 /nfs/dbraw/zinc/44/99/55/551449955.db2.gz NHECDLRYKBKRCC-UHFFFAOYSA-N 0 2 384.193 2.814 20 0 GFADLN O=C(c1cc(Br)cc(Cl)c1O)N1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000155137922 551492595 /nfs/dbraw/zinc/49/25/95/551492595.db2.gz OZJNKZLOOXSKNA-STQMWFEESA-N 0 2 390.661 2.828 20 0 GFADLN CC(=O)Nc1cc(F)c(S(=O)(=O)N[C@@H]2CCOC(C)(C)C2)c(F)c1Cl ZINC000156285072 551519363 /nfs/dbraw/zinc/51/93/63/551519363.db2.gz FHMZXJLHFBQBPF-SECBINFHSA-N 0 2 396.843 2.813 20 0 GFADLN COC(=O)c1cc(Cl)ccc1S(=O)(=O)Nc1cnn(CC(F)(F)F)c1 ZINC000156340493 551520734 /nfs/dbraw/zinc/52/07/34/551520734.db2.gz GABNOMGBVNWCBC-UHFFFAOYSA-N 0 2 397.762 2.686 20 0 GFADLN CCc1nn(C)c(CC)c1S(=O)(=O)Nc1cc(Cl)ccc1NC(C)=O ZINC000156845044 551529345 /nfs/dbraw/zinc/52/93/45/551529345.db2.gz QDRQJZAWSXJCIG-UHFFFAOYSA-N 0 2 384.889 2.958 20 0 GFADLN CC(=O)Nc1cccnc1NS(=O)(=O)c1cc(Br)ccc1C ZINC000157374056 551537626 /nfs/dbraw/zinc/53/76/26/551537626.db2.gz LYYMWIUZMSPBDQ-UHFFFAOYSA-N 0 2 384.255 2.912 20 0 GFADLN CC(C)n1cc(S(=O)(=O)Nc2cc(Cl)ccc2N2CCOCC2)cn1 ZINC000157563656 551539749 /nfs/dbraw/zinc/53/97/49/551539749.db2.gz WSAZNEHCALCECN-UHFFFAOYSA-N 0 2 384.889 2.755 20 0 GFADLN CS(=O)(=O)c1ccccc1S(=O)(=O)Nc1ccc(-c2ncco2)cc1 ZINC000157733478 551542146 /nfs/dbraw/zinc/54/21/46/551542146.db2.gz AHNTXDLUVCASJZ-UHFFFAOYSA-N 0 2 378.431 2.546 20 0 GFADLN COC(=O)c1c(C)cccc1S(=O)(=O)Nc1cncc(Br)c1 ZINC000158221083 551548501 /nfs/dbraw/zinc/54/85/01/551548501.db2.gz YLVQZWVAPPDEFE-UHFFFAOYSA-N 0 2 385.239 2.740 20 0 GFADLN CCS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccn(CCC(C)C)n2)cc1 ZINC000164563644 551626472 /nfs/dbraw/zinc/62/64/72/551626472.db2.gz PKTJTDQXZDEARF-UHFFFAOYSA-N 0 2 385.511 2.524 20 0 GFADLN CO[C@H](C)c1cccc(NS(=O)(=O)c2ccc(CCNC(C)=O)s2)c1 ZINC000171013343 551644824 /nfs/dbraw/zinc/64/48/24/551644824.db2.gz QMAMHZFRHVEAKL-GFCCVEGCSA-N 0 2 382.507 2.935 20 0 GFADLN CC(=O)Nc1cc(F)c(S(=O)(=O)NCCOCCC(C)C)c(F)c1Cl ZINC000173071092 551694256 /nfs/dbraw/zinc/69/42/56/551694256.db2.gz REHSREPOOBHIFL-UHFFFAOYSA-N 0 2 398.859 2.918 20 0 GFADLN CC(=O)NC[C@@H]1CCCN(C(=O)c2cc(Cl)cc(Br)c2O)C1 ZINC000176281833 552137503 /nfs/dbraw/zinc/13/75/03/552137503.db2.gz NUAXKCBTPDSVEZ-JTQLQIEISA-N 0 2 389.677 2.796 20 0 GFADLN O=C(c1cc(Cl)cc(Br)c1O)N1CCN(c2cccnn2)CC1 ZINC000176285195 552137927 /nfs/dbraw/zinc/13/79/27/552137927.db2.gz DADDPEJVBCLTMP-UHFFFAOYSA-N 0 2 397.660 2.561 20 0 GFADLN NC(=O)c1cc(-c2csc(NC(=O)c3cc(F)cc(Cl)c3O)n2)c[nH]1 ZINC000177018993 552149870 /nfs/dbraw/zinc/14/98/70/552149870.db2.gz SMUZIAZLUWVFJD-UHFFFAOYSA-N 0 2 380.788 2.988 20 0 GFADLN O=C1NCCN1Cc1ccccc1NS(=O)(=O)c1ccc(Cl)cc1F ZINC000180534363 552229238 /nfs/dbraw/zinc/22/92/38/552229238.db2.gz CSYOJYBDROTNCP-UHFFFAOYSA-N 0 2 383.832 2.805 20 0 GFADLN CN(C[C@@H](O)C(F)(F)F)C(=O)c1cc(Cl)cc(Br)c1O ZINC000180817488 552236572 /nfs/dbraw/zinc/23/65/72/552236572.db2.gz ISSIMTWRRVQZKX-MRVPVSSYSA-N 0 2 376.556 2.803 20 0 GFADLN CN(C)C(=O)c1cc(S(=O)(=O)Nc2nc3cc(Cl)ccc3s2)cn1C ZINC000180903426 552239473 /nfs/dbraw/zinc/23/94/73/552239473.db2.gz BPEKKQCYRFYWGM-UHFFFAOYSA-N 0 2 398.897 2.791 20 0 GFADLN CCc1cc(NS(=O)(=O)c2ccc(OC)c(Br)c2)nc(C)n1 ZINC000186114967 552379447 /nfs/dbraw/zinc/37/94/47/552379447.db2.gz CJIDMMZWUQZXNA-UHFFFAOYSA-N 0 2 386.271 2.919 20 0 GFADLN Cc1noc(C)c1S(=O)(=O)Nc1cccc2c1CN(CC(F)(F)F)C2 ZINC000187141886 552407715 /nfs/dbraw/zinc/40/77/15/552407715.db2.gz ZZVMZGLVWJHIGK-UHFFFAOYSA-N 0 2 375.372 2.970 20 0 GFADLN O=C(CSc1n[nH]c(=O)[nH]1)N1N=C(c2ccco2)C[C@H]1c1cccs1 ZINC000187640064 552420918 /nfs/dbraw/zinc/42/09/18/552420918.db2.gz LQDCZXIAWLZOLA-JTQLQIEISA-N 0 2 375.435 2.635 20 0 GFADLN COC[C@@H](C)n1ccc(NS(=O)(=O)c2cccc(C)c2Br)n1 ZINC000187970603 552429397 /nfs/dbraw/zinc/42/93/97/552429397.db2.gz AVVXEGLNUSPXJM-LLVKDONJSA-N 0 2 388.287 2.962 20 0 GFADLN CCOC[C@@H](NS(=O)(=O)c1c(F)cc(NC(C)=O)c(Cl)c1F)C(C)C ZINC000188384333 552443966 /nfs/dbraw/zinc/44/39/66/552443966.db2.gz PHZVUQPHKKNVPF-GFCCVEGCSA-N 0 2 398.859 2.916 20 0 GFADLN CCCN1CCCN(C(=O)c2cc(Cl)cc(Br)c2O)CC1=O ZINC000188439101 552445041 /nfs/dbraw/zinc/44/50/41/552445041.db2.gz RKSPHHXQYLJSIA-UHFFFAOYSA-N 0 2 389.677 2.893 20 0 GFADLN Cc1cccc(F)c1S(=O)(=O)Nc1nc2ccc(Br)cn2n1 ZINC000189257721 552466874 /nfs/dbraw/zinc/46/68/74/552466874.db2.gz DNRNMRLQBNDXNO-UHFFFAOYSA-N 0 2 385.218 2.740 20 0 GFADLN CS(=O)(=O)c1ccccc1S(=O)(=O)Nc1nc2c(s1)CCCCC2 ZINC000192811267 552974351 /nfs/dbraw/zinc/97/43/51/552974351.db2.gz ADMFCKQHDHCXOO-UHFFFAOYSA-N 0 2 386.520 2.616 20 0 GFADLN CCNS(=O)(=O)c1ccccc1NS(=O)(=O)c1cccc(Cl)c1C ZINC000194141564 553012608 /nfs/dbraw/zinc/01/26/08/553012608.db2.gz KFTCORIHFMOASF-UHFFFAOYSA-N 0 2 388.898 2.747 20 0 GFADLN Cc1ccc(CS(=O)(=O)Nc2nc3ccc(Br)cn3n2)c(F)c1 ZINC000194715364 553028070 /nfs/dbraw/zinc/02/80/70/553028070.db2.gz GXGOFMVHZARZQO-UHFFFAOYSA-N 0 2 399.245 2.881 20 0 GFADLN COc1ccc(S(=O)(=O)Nc2nnc(Cc3cccc(Cl)c3)s2)cn1 ZINC000194795847 553030426 /nfs/dbraw/zinc/03/04/26/553030426.db2.gz VOYIRYSJCAUVDX-UHFFFAOYSA-N 0 2 396.881 2.987 20 0 GFADLN COc1ccc(S(=O)(=O)Nc2nnc(Cc3ccc(C)cc3)s2)cn1 ZINC000194797059 553030679 /nfs/dbraw/zinc/03/06/79/553030679.db2.gz HIBGETHNXFQBIX-UHFFFAOYSA-N 0 2 376.463 2.642 20 0 GFADLN COc1ccc(S(=O)(=O)Nc2nnc(CCCc3cccs3)o2)cn1 ZINC000194822183 553030804 /nfs/dbraw/zinc/03/08/04/553030804.db2.gz FUIBBLLNUDNGOQ-UHFFFAOYSA-N 0 2 380.451 2.511 20 0 GFADLN CCOCc1nnc(NS(=O)(=O)c2cc(C)c(Br)s2)o1 ZINC000194963810 553034818 /nfs/dbraw/zinc/03/48/18/553034818.db2.gz VCTNKWMDYZTMOP-UHFFFAOYSA-N 0 2 382.261 2.539 20 0 GFADLN Cc1noc(C)c1CS(=O)(=O)c1n[nH]c(COc2ccc(Cl)cc2)n1 ZINC000195118267 553038495 /nfs/dbraw/zinc/03/84/95/553038495.db2.gz IKIOVPZGGYCQDH-UHFFFAOYSA-N 0 2 382.829 2.616 20 0 GFADLN CCC[C@@H](C)NC(=O)[C@H](C)S(=O)(=O)c1n[nH]c(-c2ccc(Cl)cc2)n1 ZINC000195112560 553038511 /nfs/dbraw/zinc/03/85/11/553038511.db2.gz XJGBGIUJWLMVIX-MNOVXSKESA-N 0 2 384.889 2.592 20 0 GFADLN CCCCc1nc(CS(=O)(=O)c2n[nH]c(-c3ccc(Cl)cc3)n2)no1 ZINC000195111711 553038755 /nfs/dbraw/zinc/03/87/55/553038755.db2.gz NECWDDZAYQWRKQ-UHFFFAOYSA-N 0 2 381.845 2.825 20 0 GFADLN CCCc1nc(CS(=O)(=O)c2n[nH]c(-c3ccc(OC)cc3)n2)cs1 ZINC000195120477 553038844 /nfs/dbraw/zinc/03/88/44/553038844.db2.gz TWIJHZZTKJXFRZ-UHFFFAOYSA-N 0 2 378.479 2.863 20 0 GFADLN Cc1nc(-c2cc3c(s2)CCN(S(=O)(=O)NCC(F)(F)F)C3)cs1 ZINC000195443702 553048805 /nfs/dbraw/zinc/04/88/05/553048805.db2.gz YGWPEIRNVXCEKY-UHFFFAOYSA-N 0 2 397.469 2.935 20 0 GFADLN C[C@H]1OCC[C@]12CN(C(=O)c1cc(Cl)cc(Br)c1O)CCO2 ZINC000280195184 563326072 /nfs/dbraw/zinc/32/60/72/563326072.db2.gz DGOSGLQUAOLHCL-PSLIRLAXSA-N 0 2 390.661 2.828 20 0 GFADLN O=C(c1cccc(NS(=O)(=O)c2cccs2)c1)N1CCC[C@@H](O)CC1 ZINC000294699872 563213245 /nfs/dbraw/zinc/21/32/45/563213245.db2.gz GOGZECMPMUAVGO-OAHLLOKOSA-N 0 2 380.491 2.536 20 0 GFADLN CCS(=O)(=O)c1ccc(NS(=O)(=O)C[C@@H](OC)c2ccccc2)cc1 ZINC000295352880 563243027 /nfs/dbraw/zinc/24/30/27/563243027.db2.gz QVLCKHNNCZSCSO-QGZVFWFLSA-N 0 2 383.491 2.610 20 0 GFADLN COC(=O)c1ccc(Cl)cc1S(=O)(=O)Nc1nnc(CCC(C)C)o1 ZINC000278409434 563253884 /nfs/dbraw/zinc/25/38/84/563253884.db2.gz PSPVUACINDCDQB-UHFFFAOYSA-N 0 2 387.845 2.899 20 0 GFADLN COC(=O)c1sc(S(=O)(=O)Nc2nnc(C(C)C)o2)c(C)c1Cl ZINC000278976178 563278041 /nfs/dbraw/zinc/27/80/41/563278041.db2.gz ZYVBQAIPELARSC-UHFFFAOYSA-N 0 2 379.847 2.804 20 0 GFADLN COC(=O)c1ccc(S(=O)(=O)Nc2ncc(C3CCOCC3)s2)cc1 ZINC000296674902 563296429 /nfs/dbraw/zinc/29/64/29/563296429.db2.gz HKQULVFWIUCXQJ-UHFFFAOYSA-N 0 2 382.463 2.625 20 0 GFADLN COC(=O)[C@H]1CCc2sc(NS(=O)(=O)c3cc(C)cc(F)c3)nc2C1 ZINC000421232449 563302303 /nfs/dbraw/zinc/30/23/03/563302303.db2.gz LNLWNZWYFYKSPG-JTQLQIEISA-N 0 2 384.454 2.669 20 0 GFADLN COC(=O)[C@@H]1CCc2sc(NS(=O)(=O)c3ccc(C)c(F)c3)nc2C1 ZINC000421234029 563302483 /nfs/dbraw/zinc/30/24/83/563302483.db2.gz OUKXPVRFBQKOQL-SNVBAGLBSA-N 0 2 384.454 2.669 20 0 GFADLN COCCOc1c(Cl)cc(S(=O)(=O)Nc2ccnc(C)n2)cc1Cl ZINC000421254486 563303940 /nfs/dbraw/zinc/30/39/40/563303940.db2.gz ZXLYXSVKBJYKQT-UHFFFAOYSA-N 0 2 392.264 2.918 20 0 GFADLN CSc1ccc(S(=O)(=O)Nc2cc(-c3cnn(C)c3)nn2C)cc1Cl ZINC000373228411 563332412 /nfs/dbraw/zinc/33/24/12/563332412.db2.gz MANKRQKQRIWDPO-UHFFFAOYSA-N 0 2 397.913 2.997 20 0 GFADLN COc1ccc(Br)c(NC(=O)N2CCC(c3n[nH]c(=O)[nH]3)CC2)c1 ZINC000373910549 563354951 /nfs/dbraw/zinc/35/49/51/563354951.db2.gz GPTOLIVHMJOQNZ-UHFFFAOYSA-N 0 2 396.245 2.693 20 0 GFADLN Cc1nn(C)c(Cl)c1S(=O)(=O)Nc1ccc2c(c1)CN(CC(F)F)C2 ZINC000280922394 563361049 /nfs/dbraw/zinc/36/10/49/563361049.db2.gz GDFPNHJKGCPJHS-UHFFFAOYSA-N 0 2 390.843 2.763 20 0 GFADLN COC(=O)CCc1csc(NS(=O)(=O)CCc2ccc(Cl)cc2)n1 ZINC000424213151 563373632 /nfs/dbraw/zinc/37/36/32/563373632.db2.gz SFKRWMKVRMPVAX-UHFFFAOYSA-N 0 2 388.898 2.887 20 0 GFADLN O=C(Nc1nnc(C(F)F)s1)c1sccc1S(=O)(=O)N1CCCC1 ZINC000299228820 563378649 /nfs/dbraw/zinc/37/86/49/563378649.db2.gz QEDUWSJNXJRTFT-UHFFFAOYSA-N 0 2 394.450 2.574 20 0 GFADLN Cc1c(Cl)cccc1N1CCCN(S(=O)(=O)NCC(F)(F)F)CC1 ZINC000375193824 563394959 /nfs/dbraw/zinc/39/49/59/563394959.db2.gz XPROJFIYUVDSJC-UHFFFAOYSA-N 0 2 385.839 2.557 20 0 GFADLN CC(C)(C)c1nsc(NS(=O)(=O)c2cncc(Br)c2)n1 ZINC000282437098 563411409 /nfs/dbraw/zinc/41/14/09/563411409.db2.gz NIQNEIUXBNSNAK-UHFFFAOYSA-N 0 2 377.289 2.794 20 0 GFADLN COC(=O)c1scc(C)c1NS(=O)(=O)c1cc(OC)c(OC)cc1C ZINC000328322253 563460998 /nfs/dbraw/zinc/46/09/98/563460998.db2.gz NEDJFQJYYZSNEH-UHFFFAOYSA-N 0 2 385.463 2.970 20 0 GFADLN O=c1[nH]nc([C@@H]2CCCN(S(=O)(=O)Cc3ccc(Cl)cc3Cl)C2)[nH]1 ZINC000328859323 563467075 /nfs/dbraw/zinc/46/70/75/563467075.db2.gz UZMKUSZDXZQVSA-SECBINFHSA-N 0 2 391.280 2.527 20 0 GFADLN C[C@H](Oc1ccc(Cl)c(Cl)c1)C(=O)N1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000329069111 563471787 /nfs/dbraw/zinc/47/17/87/563471787.db2.gz MRPQZFIGMBYESH-VHSXEESVSA-N 0 2 385.251 2.991 20 0 GFADLN O=S(=O)(Nc1nc2c(s1)COCC2)c1cccc(Br)c1F ZINC000377559180 563479425 /nfs/dbraw/zinc/47/94/25/563479425.db2.gz AANLTJUOCPVAQO-UHFFFAOYSA-N 0 2 393.259 2.918 20 0 GFADLN Cc1ccc(S(=O)(=O)Nc2cccc3c2OCC(=O)N3)c(Br)c1 ZINC000378016203 563494089 /nfs/dbraw/zinc/49/40/89/563494089.db2.gz HUQDHDBPKUZSMK-UHFFFAOYSA-N 0 2 397.250 2.889 20 0 GFADLN CC(=O)Nc1ccc(NS(=O)(=O)c2c(C)cnn2C)c(C(F)(F)F)c1 ZINC000284953236 563496846 /nfs/dbraw/zinc/49/68/46/563496846.db2.gz BZMOBANWBUBLBL-UHFFFAOYSA-N 0 2 376.360 2.507 20 0 GFADLN CC[C@@]1(O)CCN(C(=O)c2cccc(NS(=O)(=O)c3cccs3)c2)C1 ZINC000428746287 563501223 /nfs/dbraw/zinc/50/12/23/563501223.db2.gz SELDEWLTYGGIGD-QGZVFWFLSA-N 0 2 380.491 2.536 20 0 GFADLN CCN(CC)S(=O)(=O)c1cc(NS(=O)(=O)c2ccoc2)ccc1Cl ZINC000285183084 563507907 /nfs/dbraw/zinc/50/79/07/563507907.db2.gz RLMFSRDWCVUYQR-UHFFFAOYSA-N 0 2 392.886 2.764 20 0 GFADLN 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O=C([O-])N1CCC(C(=O)N2CCC(n3cc[nH+]c3)CC2)(c2ccccc2)CC1 ZINC000740494478 601940580 /nfs/dbraw/zinc/94/05/80/601940580.db2.gz QSQNSYIBUIQQDL-UHFFFAOYSA-N 0 2 382.464 2.758 20 0 GFADLN Cc1cc(N2CC[C@H]([NH2+][C@H](C(=O)[O-])c3cc(Cl)cc(Cl)c3)C2=O)n(C)n1 ZINC000832888461 601977002 /nfs/dbraw/zinc/97/70/02/601977002.db2.gz HSBUDBLEFBCYHH-ZFWWWQNUSA-N 0 2 397.262 2.556 20 0 GFADLN Cc1cc(N2CC[C@@H]([NH2+][C@H](C(=O)[O-])c3cc(Cl)cc(Cl)c3)C2=O)n(C)n1 ZINC000832888459 601977202 /nfs/dbraw/zinc/97/72/02/601977202.db2.gz HSBUDBLEFBCYHH-HIFRSBDPSA-N 0 2 397.262 2.556 20 0 GFADLN Cc1cc(N2CC[C@H]([NH2+][C@@H](C(=O)[O-])c3cc(Cl)cc(Cl)c3)C2=O)n(C)n1 ZINC000832888456 601977254 /nfs/dbraw/zinc/97/72/54/601977254.db2.gz HSBUDBLEFBCYHH-DZGCQCFKSA-N 0 2 397.262 2.556 20 0 GFADLN C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N3CCC[C@@H](N(C)C(=O)[O-])C3)n2)C1 ZINC000739112957 602007025 /nfs/dbraw/zinc/00/70/25/602007025.db2.gz UIQKVLUJRVQCPM-DZGCQCFKSA-N 0 2 395.529 2.981 20 0 GFADLN C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CCC[C@@H](N(C)C(=O)[O-])C3)n2)C1 ZINC000739112957 602007026 /nfs/dbraw/zinc/00/70/26/602007026.db2.gz UIQKVLUJRVQCPM-DZGCQCFKSA-N 0 2 395.529 2.981 20 0 GFADLN CCn1c(COc2ccc(C)cc2)nn(C[N@H+]2C[C@H](C(=O)[O-])[C@H](C)C2)c1=S ZINC000830412726 602199247 /nfs/dbraw/zinc/19/92/47/602199247.db2.gz ZVDWRZQPWWAFBH-ZBFHGGJFSA-N 0 2 390.509 2.931 20 0 GFADLN CCn1c(COc2ccc(C)cc2)nn(C[N@@H+]2C[C@H](C(=O)[O-])[C@H](C)C2)c1=S ZINC000830412726 602199249 /nfs/dbraw/zinc/19/92/49/602199249.db2.gz ZVDWRZQPWWAFBH-ZBFHGGJFSA-N 0 2 390.509 2.931 20 0 GFADLN O=C([O-])N1CCC(C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)(c2ccccc2)CC1 ZINC000740495161 602304101 /nfs/dbraw/zinc/30/41/01/602304101.db2.gz XQHKLLDHLWQVJB-GOSISDBHSA-N 0 2 382.464 2.758 20 0 GFADLN C[N@H+](CC(=O)Nc1nc(CC(=O)[O-])cs1)Cc1ccc(Br)cc1 ZINC000830683724 602349521 /nfs/dbraw/zinc/34/95/21/602349521.db2.gz FKBISAOTCVFVPE-UHFFFAOYSA-N 0 2 398.282 2.603 20 0 GFADLN C[N@@H+](CC(=O)Nc1nc(CC(=O)[O-])cs1)Cc1ccc(Br)cc1 ZINC000830683724 602349523 /nfs/dbraw/zinc/34/95/23/602349523.db2.gz FKBISAOTCVFVPE-UHFFFAOYSA-N 0 2 398.282 2.603 20 0 GFADLN CC(C)n1c(N(C)C)nn(C[N@@H+]2CCC[C@@H]([C@H]3CCCN3C(=O)[O-])C2)c1=S ZINC000738886434 602373145 /nfs/dbraw/zinc/37/31/45/602373145.db2.gz NYWZURAOKYGDAD-HUUCEWRRSA-N 0 2 396.561 2.873 20 0 GFADLN CC(C)n1c(N(C)C)nn(C[N@H+]2CCC[C@@H]([C@H]3CCCN3C(=O)[O-])C2)c1=S ZINC000738886434 602373146 /nfs/dbraw/zinc/37/31/46/602373146.db2.gz NYWZURAOKYGDAD-HUUCEWRRSA-N 0 2 396.561 2.873 20 0 GFADLN C[C@H](c1nc(N)nc(Nc2ccccc2)n1)[NH+]1CCC(CN(C)C(=O)[O-])CC1 ZINC000739064703 602383387 /nfs/dbraw/zinc/38/33/87/602383387.db2.gz RJFGWSGDLFDBPD-CYBMUJFWSA-N 0 2 385.472 2.580 20 0 GFADLN C[C@@H](NC(=O)[O-])C1CC[NH+](Cc2ccc(S(=O)(=O)C(F)F)cc2)CC1 ZINC000739016986 602444552 /nfs/dbraw/zinc/44/45/52/602444552.db2.gz YLYLJDCCNGPRGB-LLVKDONJSA-N 0 2 376.425 2.551 20 0 GFADLN O=C([O-])Nc1cc(C(=O)N2CC[NH+](CCOc3ccccc3)CC2)ccc1F ZINC000740695238 602481966 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Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[N@H+]1CCC[C@H]1CN(C)C(=O)[O-] ZINC000830841381 603579639 /nfs/dbraw/zinc/57/96/39/603579639.db2.gz ZAKDAKQFFMEXFN-KRWDZBQOSA-N 0 2 385.468 2.502 20 0 GFADLN Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[N@@H+]1CCC[C@H]1CN(C)C(=O)[O-] ZINC000830841381 603579643 /nfs/dbraw/zinc/57/96/43/603579643.db2.gz ZAKDAKQFFMEXFN-KRWDZBQOSA-N 0 2 385.468 2.502 20 0 GFADLN O=C([O-])N1[C@@H]2CC[C@H]1CC(CC(=O)N1CC[NH+](Cc3ccsc3)CC1)C2 ZINC000831299017 603821186 /nfs/dbraw/zinc/82/11/86/603821186.db2.gz JRUYYXBVEMMYHU-ALOPSCKCSA-N 0 2 377.510 2.703 20 0 GFADLN Cc1cc(N2CCCC2)ccc1NC(=O)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000830077951 603978344 /nfs/dbraw/zinc/97/83/44/603978344.db2.gz ILIRCORSVYCAHN-AEFFLSMTSA-N 0 2 386.496 2.750 20 0 GFADLN Cc1cc(N2CCCC2)ccc1NC(=O)C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[O-] ZINC000830077951 603978345 /nfs/dbraw/zinc/97/83/45/603978345.db2.gz ILIRCORSVYCAHN-AEFFLSMTSA-N 0 2 386.496 2.750 20 0 GFADLN 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Cn1cncc1[C@H]1C[C@@H](NC(=O)c2cc(F)cc(Br)c2O)CCO1 ZINC000436866295 563683174 /nfs/dbraw/zinc/68/31/74/563683174.db2.gz XWMGTTKKNPEIMQ-IINYFYTJSA-N 0 2 398.232 2.677 20 0 GFADLN COC(=O)c1cc(S(=O)(=O)Nc2n[nH]c3c2cccc3Cl)ccc1O ZINC000436936766 563685702 /nfs/dbraw/zinc/68/57/02/563685702.db2.gz OHMROGJGQZUOAR-UHFFFAOYSA-N 0 2 381.797 2.509 20 0 GFADLN COc1cc(C)c(Br)cc1NS(=O)(=O)c1cnc2n1CCC2 ZINC000437680229 563698113 /nfs/dbraw/zinc/69/81/13/563698113.db2.gz FHGZEKYLLUVDJN-UHFFFAOYSA-N 0 2 386.271 2.710 20 0 GFADLN O=S(=O)(Nc1nnc(-c2ccc(Cl)cc2)s1)c1cnc2n1CCC2 ZINC000437941221 563700569 /nfs/dbraw/zinc/70/05/69/563700569.db2.gz LUFICDMZGBGGOY-UHFFFAOYSA-N 0 2 381.870 2.802 20 0 GFADLN COC(=O)c1cc(S(=O)(=O)Nc2cc(F)ccc2-n2cccn2)cs1 ZINC000438779276 563710644 /nfs/dbraw/zinc/71/06/44/563710644.db2.gz YXYIOHKPCMFQFU-UHFFFAOYSA-N 0 2 381.410 2.660 20 0 GFADLN CCCN1CC(=O)N[C@H]1c1cc(Br)c(O)c(Br)c1 ZINC000414184095 563721888 /nfs/dbraw/zinc/72/18/88/563721888.db2.gz NLPCPOSVXBYLSA-GFCCVEGCSA-N 0 2 378.064 2.758 20 0 GFADLN CN(C)c1ccc(S(=O)(=O)Nc2nc3c(s2)C(=O)CC(C)(C)C3)cn1 ZINC000291023557 563730130 /nfs/dbraw/zinc/73/01/30/563730130.db2.gz YAJZPIXAFFXKGQ-UHFFFAOYSA-N 0 2 380.495 2.560 20 0 GFADLN CCOc1ccc(NS(=O)(=O)c2c(C(F)F)c(C)nn2C)cc1OC ZINC000414372943 563730953 /nfs/dbraw/zinc/73/09/53/563730953.db2.gz QREZLRUMPNEOAM-UHFFFAOYSA-N 0 2 375.397 2.874 20 0 GFADLN COC(=O)c1csc(S(=O)(=O)Nc2cccc([C@H](C)C(=O)OC)c2)c1 ZINC000414400989 563734308 /nfs/dbraw/zinc/73/43/08/563734308.db2.gz XWQNTBFGGWZWOA-JTQLQIEISA-N 0 2 383.447 2.612 20 0 GFADLN COc1cc(OC)c(S(=O)(=O)Nc2noc(C(C)(C)C)n2)cc1Cl ZINC000414442227 563738065 /nfs/dbraw/zinc/73/80/65/563738065.db2.gz LGVVZAQJAKZUHJ-UHFFFAOYSA-N 0 2 375.834 2.839 20 0 GFADLN Cn1cnnc1-c1cccc(NS(=O)(=O)c2c(Cl)ccnc2Cl)c1 ZINC000363983363 563738954 /nfs/dbraw/zinc/73/89/54/563738954.db2.gz LQYUVKLLBJGXHS-UHFFFAOYSA-N 0 2 384.248 2.985 20 0 GFADLN COCCOc1ccccc1S(=O)(=O)Nc1cc(C(=O)OC)sc1C ZINC000414462441 563741069 /nfs/dbraw/zinc/74/10/69/563741069.db2.gz PQBONZVAYHZLHK-UHFFFAOYSA-N 0 2 385.463 2.669 20 0 GFADLN CO[C@@H](CC(C)C)C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000414661767 563749541 /nfs/dbraw/zinc/74/95/41/563749541.db2.gz QCYLKPYHFRGAGY-AWEZNQCLSA-N 0 2 383.495 2.944 20 0 GFADLN C[C@H](C(F)(F)F)S(=O)(=O)NC[C@@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC000364451801 563753593 /nfs/dbraw/zinc/75/35/93/563753593.db2.gz YZVKBNWKPPGOGY-ZJUUUORDSA-N 0 2 384.807 2.563 20 0 GFADLN CCCc1nnc(SCC(=O)Nc2cc(Cl)c(O)c(Cl)c2)n1N ZINC000291684267 563753742 /nfs/dbraw/zinc/75/37/42/563753742.db2.gz NFZUGKZMLOICDW-UHFFFAOYSA-N 0 2 376.269 2.688 20 0 GFADLN C[C@H](C(F)(F)F)S(=O)(=O)NC[C@H]1CC(=O)N(c2ccc(Cl)cc2)C1 ZINC000364451796 563753727 /nfs/dbraw/zinc/75/37/27/563753727.db2.gz YZVKBNWKPPGOGY-NXEZZACHSA-N 0 2 384.807 2.563 20 0 GFADLN O=S(=O)(Cc1ccc(Cl)c(Cl)c1)Nc1ncn(-c2ccccn2)n1 ZINC000364902839 563767951 /nfs/dbraw/zinc/76/79/51/563767951.db2.gz DRELLDADRUOBRM-UHFFFAOYSA-N 0 2 384.248 2.911 20 0 GFADLN CCc1ccc(CC)c(NS(=O)(=O)c2ccccc2S(=O)(=O)NC)c1 ZINC000442336455 563771616 /nfs/dbraw/zinc/77/16/16/563771616.db2.gz PTWBGJBMIRJPEK-UHFFFAOYSA-N 0 2 382.507 2.520 20 0 GFADLN Cc1cc(C)c(S(=O)(=O)Nc2ccc(C(=O)N3CCOCC3)cc2)s1 ZINC000292252621 563779922 /nfs/dbraw/zinc/77/99/22/563779922.db2.gz DQGWAVVRKLWSKR-UHFFFAOYSA-N 0 2 380.491 2.638 20 0 GFADLN COC(=O)c1csc(S(=O)(=O)Nc2ccc(OC(F)(F)F)cc2O)c1 ZINC000442834990 563781219 /nfs/dbraw/zinc/78/12/19/563781219.db2.gz CCFLKCUWSXMWQE-UHFFFAOYSA-N 0 2 397.352 2.940 20 0 GFADLN NC(=O)c1ccc(NS(=O)(=O)c2cnccc2C(F)(F)F)cc1Cl ZINC000442846631 563782438 /nfs/dbraw/zinc/78/24/38/563782438.db2.gz WGVNOGLPGFMOTC-UHFFFAOYSA-N 0 2 379.747 2.654 20 0 GFADLN CCc1cccnc1NS(=O)(=O)c1ccc(C(=O)OC)cc1Br ZINC000443416980 563804574 /nfs/dbraw/zinc/80/45/74/563804574.db2.gz LRMNDMVWHHSVAG-UHFFFAOYSA-N 0 2 399.266 2.994 20 0 GFADLN Cc1nc2ccc(S(=O)(=O)Nc3cnn(C[C@H]4CCCO4)c3)cc2s1 ZINC000366502074 563811414 /nfs/dbraw/zinc/81/14/14/563811414.db2.gz WQGGTXDUFJJGGT-CYBMUJFWSA-N 0 2 378.479 2.781 20 0 GFADLN COC(=O)c1c(NS(=O)(=O)Cc2cccc(C)c2)sc2c1CCOC2 ZINC000416423624 563827424 /nfs/dbraw/zinc/82/74/24/563827424.db2.gz WAWPJGPFKIITMM-UHFFFAOYSA-N 0 2 381.475 2.858 20 0 GFADLN CC(=O)Nc1cc(F)c(S(=O)(=O)NC[C@@H]2C[C@H](C)O[C@H]2C)c(F)c1Cl ZINC000416601165 563851873 /nfs/dbraw/zinc/85/18/73/563851873.db2.gz IWKCIIDYEMQOQT-NRPADANISA-N 0 2 396.843 2.668 20 0 GFADLN CO[C@@H](CNS(=O)(=O)c1c(F)cc(NC(C)=O)c(Cl)c1F)CC(C)C ZINC000416654024 563858790 /nfs/dbraw/zinc/85/87/90/563858790.db2.gz UYINPZUJJLAPSD-SNVBAGLBSA-N 0 2 398.859 2.916 20 0 GFADLN CCn1nccc1S(=O)(=O)Nc1cccc2c1CN(c1nccs1)C2 ZINC000368383015 563869561 /nfs/dbraw/zinc/86/95/61/563869561.db2.gz MPWDQZIMMNXSCQ-UHFFFAOYSA-N 0 2 375.479 2.681 20 0 GFADLN CSC1(CNC(=O)c2ccc(S(=O)(=O)Nc3nccs3)cc2)CCC1 ZINC000447633898 563883506 /nfs/dbraw/zinc/88/35/06/563883506.db2.gz IFQRYPCEJXADDZ-UHFFFAOYSA-N 0 2 397.547 2.959 20 0 GFADLN COC(=O)c1nscc1NS(=O)(=O)c1ccc(C(F)(F)F)c(F)c1 ZINC000447777647 563886054 /nfs/dbraw/zinc/88/60/54/563886054.db2.gz MPBRFMPERZPZKH-UHFFFAOYSA-N 0 2 384.332 2.888 20 0 GFADLN Cc1ccc(S(=O)(=O)Nc2ncn(Cc3ccc(Br)cc3)n2)o1 ZINC000538009111 564180104 /nfs/dbraw/zinc/18/01/04/564180104.db2.gz UWVIAFDHVZUPOQ-UHFFFAOYSA-N 0 2 397.254 2.791 20 0 GFADLN Cc1ccsc1-c1nsc(NS(=O)(=O)c2ccc3c(c2)COC3)n1 ZINC000471954149 564207742 /nfs/dbraw/zinc/20/77/42/564207742.db2.gz SXCMUBKGYMQOHJ-UHFFFAOYSA-N 0 2 379.488 2.828 20 0 GFADLN Cc1ccsc1-c1nsc(NS(=O)(=O)c2ccc3c(c2)OCO3)n1 ZINC000471941270 564208141 /nfs/dbraw/zinc/20/81/41/564208141.db2.gz KRUPMJRGXBXTIK-UHFFFAOYSA-N 0 2 381.460 2.526 20 0 GFADLN O=S(=O)(Nc1ccc(N2CCOCC2)cn1)c1csc2ccccc21 ZINC000506833799 564212578 /nfs/dbraw/zinc/21/25/78/564212578.db2.gz INKGAHKAQXFVKL-UHFFFAOYSA-N 0 2 375.475 2.934 20 0 GFADLN COC(=O)c1cncc(NS(=O)(=O)c2sc(C)cc2Br)c1 ZINC000507084639 564217937 /nfs/dbraw/zinc/21/79/37/564217937.db2.gz YONLSLALCCYLBN-UHFFFAOYSA-N 0 2 391.268 2.801 20 0 GFADLN CCOc1ccc(NS(=O)(=O)c2ccc(C(F)(F)F)cn2)cc1CO ZINC000472788078 564233473 /nfs/dbraw/zinc/23/34/73/564233473.db2.gz KGVNQBFHYPUCQM-UHFFFAOYSA-N 0 2 376.356 2.792 20 0 GFADLN Cc1cc(S(=O)(=O)Nc2cc(F)c(S(C)(=O)=O)c(F)c2)sc1C ZINC000540213838 564242433 /nfs/dbraw/zinc/24/24/33/564242433.db2.gz RQNFKFZHOHEJGE-UHFFFAOYSA-N 0 2 381.447 2.847 20 0 GFADLN O=S(=O)(Nc1nnc(-c2cccc(Br)c2)o1)c1cccnc1 ZINC000508100673 564253553 /nfs/dbraw/zinc/25/35/53/564253553.db2.gz HHAMONFAEKPRMO-UHFFFAOYSA-N 0 2 381.211 2.695 20 0 GFADLN CCSc1nnc(NS(=O)(=O)c2ccc(C3(C(=O)OC)CC3)cc2)s1 ZINC000540651452 564254222 /nfs/dbraw/zinc/25/42/22/564254222.db2.gz BBZSGXADCXZKQJ-UHFFFAOYSA-N 0 2 399.519 2.656 20 0 GFADLN C[C@@H]1CCc2nc(NS(=O)(=O)c3cn(C)nc3C(F)(F)F)sc2C1 ZINC000450972854 564257812 /nfs/dbraw/zinc/25/78/12/564257812.db2.gz WTPKJVMCLRABAK-SSDOTTSWSA-N 0 2 380.417 2.821 20 0 GFADLN Cc1csc(S(=O)(=O)Nc2ccc(C)c(S(=O)(=O)NC3CC3)c2)c1 ZINC000451020252 564264416 /nfs/dbraw/zinc/26/44/16/564264416.db2.gz ZDSKJPXQNYZKFU-UHFFFAOYSA-N 0 2 386.520 2.606 20 0 GFADLN COC(=O)c1cc(Cl)c(C)c(S(=O)(=O)Nc2cn(C)nc2C2CC2)c1 ZINC000451047650 564266767 /nfs/dbraw/zinc/26/67/67/564266767.db2.gz CXJSVCLBSWQDCK-UHFFFAOYSA-N 0 2 383.857 2.847 20 0 GFADLN O=S(=O)(Nc1ccc(Cl)c(F)c1N1CCOCC1)c1cncc(F)c1 ZINC000509397398 564296413 /nfs/dbraw/zinc/29/64/13/564296413.db2.gz SWCUARISEZKKGY-UHFFFAOYSA-N 0 2 389.811 2.651 20 0 GFADLN CCOc1ccc(S(=O)(=O)Nc2nnc(C3CCOCC3)s2)cc1C ZINC000566050344 564307901 /nfs/dbraw/zinc/30/79/01/564307901.db2.gz CJTUMYLRYBQDCH-UHFFFAOYSA-N 0 2 383.495 2.940 20 0 GFADLN COC(=O)c1csc(S(=O)(=O)Nc2ccccc2-n2nccc2C)c1 ZINC000543162559 564340977 /nfs/dbraw/zinc/34/09/77/564340977.db2.gz ODNGCURCTHTCEY-UHFFFAOYSA-N 0 2 377.447 2.830 20 0 GFADLN COc1cccc(C(F)(F)CNS(=O)(=O)Cc2ccccc2Cl)n1 ZINC000511351976 564369344 /nfs/dbraw/zinc/36/93/44/564369344.db2.gz UBGUMLXHAWBRJJ-UHFFFAOYSA-N 0 2 376.812 2.955 20 0 GFADLN Cc1ccc(NC(=O)c2sccc2S(=O)(=O)Nc2cnn(C)c2)cc1 ZINC000511358633 564369368 /nfs/dbraw/zinc/36/93/68/564369368.db2.gz CEBIBQHCXQUULY-UHFFFAOYSA-N 0 2 376.463 2.843 20 0 GFADLN CS(=O)(=O)Nc1ccc(NC(=O)c2cc(O)ccc2[N+](=O)[O-])cc1Cl ZINC000567634327 564380307 /nfs/dbraw/zinc/38/03/07/564380307.db2.gz OIJFGEOIMACLCO-UHFFFAOYSA-N 0 2 385.785 2.578 20 0 GFADLN COc1cc(OC)nc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2Cl)n1 ZINC000544619844 564390885 /nfs/dbraw/zinc/39/08/85/564390885.db2.gz LYTXPDBSCBCERA-UHFFFAOYSA-N 0 2 397.762 2.967 20 0 GFADLN CCOC1(C)CN(C(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)C1 ZINC000452271844 564401487 /nfs/dbraw/zinc/40/14/87/564401487.db2.gz LCGLCMRXKBROJF-UHFFFAOYSA-N 0 2 380.491 2.800 20 0 GFADLN CCOC1(C)CN(C(=O)c2cccc(NS(=O)(=O)c3cccs3)c2)C1 ZINC000452281902 564402034 /nfs/dbraw/zinc/40/20/34/564402034.db2.gz GMZZRJKPHQFZHL-UHFFFAOYSA-N 0 2 380.491 2.800 20 0 GFADLN COC(=O)c1nscc1S(=O)(=O)N[C@H](c1cccc(C)c1)C(F)(F)F ZINC000512432530 564402155 /nfs/dbraw/zinc/40/21/55/564402155.db2.gz QKBCNLSHJAYBCA-GFCCVEGCSA-N 0 2 394.396 2.820 20 0 GFADLN COC(=O)c1ccc(S(=O)(=O)N[C@@H](c2cccc(C)c2)C(F)(F)F)o1 ZINC000512442172 564402599 /nfs/dbraw/zinc/40/25/99/564402599.db2.gz WGPGJOPZRDNBPH-ZDUSSCGKSA-N 0 2 377.340 2.957 20 0 GFADLN CCc1noc2ncc(S(=O)(=O)Nc3nnc(-c4ccco4)s3)cc12 ZINC000545150899 564410003 /nfs/dbraw/zinc/41/00/03/564410003.db2.gz BZPYMSHAMPZNMA-UHFFFAOYSA-N 0 2 377.407 2.698 20 0 GFADLN CC(=O)Nc1ncccc1NS(=O)(=O)c1ccc(C(F)(F)F)c(F)c1 ZINC000568353425 564414598 /nfs/dbraw/zinc/41/45/98/564414598.db2.gz LOFVVIWVQNDKGM-UHFFFAOYSA-N 0 2 377.319 2.999 20 0 GFADLN O=C(C1=NN(c2ccc(Cl)cc2)CC1=O)N1CCO[C@@]2(CCSC2)C1 ZINC000568751898 564433594 /nfs/dbraw/zinc/43/35/94/564433594.db2.gz NQFUILFYIFHTLR-KRWDZBQOSA-N 0 2 379.869 2.579 20 0 GFADLN CC(C)(C)c1nc(=NC(=O)N2CCC([C@](C)(O)C(F)(F)F)CC2)s[nH]1 ZINC000545942078 564438329 /nfs/dbraw/zinc/43/83/29/564438329.db2.gz SWGHUIATHZCCQU-AWEZNQCLSA-N 0 2 380.436 2.815 20 0 GFADLN CCOC(=O)c1cc(S(=O)(=O)Nc2cc(C)c(Cl)cc2OC)cn1C ZINC000546152737 564447055 /nfs/dbraw/zinc/44/70/55/564447055.db2.gz DZBCJVLRKVZDOG-UHFFFAOYSA-N 0 2 386.857 2.973 20 0 GFADLN COc1cc(Cl)c(OC)c2c(NCCC[S@@](C)=O)c(C(=O)[O-])c[nH+]c12 ZINC000514864560 564460338 /nfs/dbraw/zinc/46/03/38/564460338.db2.gz HGRCXFWGUVZRCE-RUZDIDTESA-N 0 2 386.857 2.784 20 0 GFADLN C[C@H]1CC[C@H](C(=O)[O-])C[N@@H+]1CC(=O)Nc1c(F)cc(F)cc1Br ZINC000569485332 564465790 /nfs/dbraw/zinc/46/57/90/564465790.db2.gz RXWZGKXWXUCRGF-IUCAKERBSA-N 0 2 391.212 2.851 20 0 GFADLN C[C@H]1CC[C@H](C(=O)[O-])C[N@H+]1CC(=O)Nc1c(F)cc(F)cc1Br ZINC000569485332 564465794 /nfs/dbraw/zinc/46/57/94/564465794.db2.gz RXWZGKXWXUCRGF-IUCAKERBSA-N 0 2 391.212 2.851 20 0 GFADLN Cc1ccsc1-c1nc(=NC(=O)N[C@@H]2CCN(CC(F)(F)F)C2)s[nH]1 ZINC000546742683 564466766 /nfs/dbraw/zinc/46/67/66/564466766.db2.gz NDBZAERRLAROOP-SECBINFHSA-N 0 2 391.444 2.755 20 0 GFADLN C[C@@H](CS(C)(=O)=O)[N@H+](Cc1cc(Br)ccc1C(=O)[O-])C1CC1 ZINC000569732474 564476294 /nfs/dbraw/zinc/47/62/94/564476294.db2.gz LTRNAOQZZCUDLK-JTQLQIEISA-N 0 2 390.299 2.545 20 0 GFADLN C[C@@H](CS(C)(=O)=O)[N@@H+](Cc1cc(Br)ccc1C(=O)[O-])C1CC1 ZINC000569732474 564476297 /nfs/dbraw/zinc/47/62/97/564476297.db2.gz LTRNAOQZZCUDLK-JTQLQIEISA-N 0 2 390.299 2.545 20 0 GFADLN CC(C)c1nc(S(=O)(=O)[N-]c2c[nH+]c3c(Br)cccn23)cn1C ZINC000515635743 564484023 /nfs/dbraw/zinc/48/40/23/564484023.db2.gz OBKDGPBKPDBRSO-UHFFFAOYSA-N 0 2 398.286 2.755 20 0 GFADLN C[C@H]1[C@H](C(=O)[O-])CC[N@@H+]1Cc1noc(Cc2ccc(Br)cc2)n1 ZINC000515660353 564485206 /nfs/dbraw/zinc/48/52/06/564485206.db2.gz WYJRISQLVIRIHO-GXFFZTMASA-N 0 2 380.242 2.718 20 0 GFADLN C[C@H]1[C@H](C(=O)[O-])CC[N@H+]1Cc1noc(Cc2ccc(Br)cc2)n1 ZINC000515660353 564485210 /nfs/dbraw/zinc/48/52/10/564485210.db2.gz WYJRISQLVIRIHO-GXFFZTMASA-N 0 2 380.242 2.718 20 0 GFADLN COc1c(C(=O)[O-])cc(Cl)cc1S(=O)(=O)NCc1cc(C)[nH+]c(C)c1 ZINC000570512287 564509860 /nfs/dbraw/zinc/50/98/60/564509860.db2.gz HZWKXINGVGVKAD-UHFFFAOYSA-N 0 2 384.841 2.537 20 0 GFADLN CC(=O)NC1CCC(NC(=O)N=c2nc(-c3sccc3C)[nH]s2)CC1 ZINC000481434483 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GKXRBXCVBCPARE-SNVBAGLBSA-N 0 2 381.201 2.982 20 0 GFADLN COCc1cc(Cl)cc(S(=O)(=O)Nc2noc(-c3cccs3)n2)c1 ZINC000564560937 564239589 /nfs/dbraw/zinc/23/95/89/564239589.db2.gz KAVLKOVAWSZCKK-UHFFFAOYSA-N 0 2 385.854 3.399 20 0 GFADLN Cc1cnc(N)c(S(=O)(=O)Nc2ccccc2OCc2cscn2)c1 ZINC000540216500 564242400 /nfs/dbraw/zinc/24/24/00/564242400.db2.gz QSDPQTGQBLVWNE-UHFFFAOYSA-N 0 2 376.463 2.809 20 0 GFADLN COC(=O)c1ccc(S(=O)(=O)Nc2cc(-n3cccn3)ccc2C)s1 ZINC000473437758 564246710 /nfs/dbraw/zinc/24/67/10/564246710.db2.gz UABCQPBKRBQDIY-UHFFFAOYSA-N 0 2 377.447 2.830 20 0 GFADLN CCc1ncsc1NS(=O)(=O)c1cc(Cl)cc(C(=O)NC)c1OC ZINC000507892132 564246966 /nfs/dbraw/zinc/24/69/66/564246966.db2.gz JKARUPXRHRTMQB-UHFFFAOYSA-N 0 2 389.886 2.528 20 0 GFADLN Cc1cnn(C)c1S(=O)(=O)Nc1nnc(-c2cc3ccccc3o2)s1 ZINC000508198757 564257149 /nfs/dbraw/zinc/25/71/49/564257149.db2.gz DDUXAWFKIVSSQI-UHFFFAOYSA-N 0 2 375.435 2.794 20 0 GFADLN Cc1csc(S(=O)(=O)Nc2ccc(F)c(N3CCCS3(=O)=O)c2)c1 ZINC000451002795 564262175 /nfs/dbraw/zinc/26/21/75/564262175.db2.gz CVIMSQYABNJUKY-UHFFFAOYSA-N 0 2 390.483 2.536 20 0 GFADLN CC(C)CCc1ccc(NS(=O)(=O)c2cccc(S(C)(=O)=O)c2)nc1 ZINC000451102184 564274738 /nfs/dbraw/zinc/27/47/38/564274738.db2.gz BLXRMLLDIXJPNW-UHFFFAOYSA-N 0 2 382.507 2.875 20 0 GFADLN O=C(Nc1nc(-c2cc(Cl)ccc2Cl)n[nH]1)[C@@H]1CCc2nncn2C1 ZINC000565344982 564276748 /nfs/dbraw/zinc/27/67/48/564276748.db2.gz HXJIRVVEKDPAFN-MRVPVSSYSA-N 0 2 378.223 2.571 20 0 GFADLN CC1CCN(S(=O)(=O)Nc2ccc(Cl)cc2C(=O)NCC2CC2)CC1 ZINC000565559454 564286552 /nfs/dbraw/zinc/28/65/52/564286552.db2.gz BXJFEGPZUSKXCV-UHFFFAOYSA-N 0 2 385.917 2.868 20 0 GFADLN CC[C@H](C)c1nnc([C@H](C)NS(=O)(=O)c2c(F)c(F)cc(F)c2F)[nH]1 ZINC000509241735 564289655 /nfs/dbraw/zinc/28/96/55/564289655.db2.gz SNUFVPZDLVGFJA-BQBZGAKWSA-N 0 2 380.367 2.914 20 0 GFADLN CC[C@H](C)c1nc([C@H](C)NS(=O)(=O)c2c(F)c(F)cc(F)c2F)n[nH]1 ZINC000509241735 564289657 /nfs/dbraw/zinc/28/96/57/564289657.db2.gz SNUFVPZDLVGFJA-BQBZGAKWSA-N 0 2 380.367 2.914 20 0 GFADLN COc1cc(OC)c(S(=O)(=O)Nc2nnc(C3CC3)s2)cc1Cl ZINC000565821474 564297715 /nfs/dbraw/zinc/29/77/15/564297715.db2.gz PJXSHVYYMUHZBC-UHFFFAOYSA-N 0 2 375.859 2.887 20 0 GFADLN COC(=O)c1ccc(S(=O)(=O)Nc2cc(OC)ccc2OC)c(Cl)c1 ZINC000509629250 564307199 /nfs/dbraw/zinc/30/71/99/564307199.db2.gz ROZQGYZYUDBMJR-UHFFFAOYSA-N 0 2 385.825 2.945 20 0 GFADLN CN(Cc1nc(=O)c2sccc2[nH]1)S(=O)(=O)c1ccc2ncsc2c1 ZINC000475529073 564311591 /nfs/dbraw/zinc/31/15/91/564311591.db2.gz LFBZIOGILBSCMO-UHFFFAOYSA-N 0 2 392.487 2.827 20 0 GFADLN O=C(N=c1nc(-c2cccc(Cl)c2)[nH]s1)NCCOCC(F)(F)F ZINC000542726542 564323121 /nfs/dbraw/zinc/32/31/21/564323121.db2.gz CBRQIQFXXLHUTR-UHFFFAOYSA-N 0 2 380.779 2.981 20 0 GFADLN O=S(=O)(Nc1nnc([C@H]2CCCO2)o1)c1csc(-c2ccccc2)n1 ZINC000566408473 564326293 /nfs/dbraw/zinc/32/62/93/564326293.db2.gz NPZRNEDRVKXWLB-LLVKDONJSA-N 0 2 378.435 2.845 20 0 GFADLN COC(=O)c1cccc2[nH]c(NS(=O)(=O)c3ccc(SC)cc3)nc21 ZINC000510226127 564328202 /nfs/dbraw/zinc/32/82/02/564328202.db2.gz ZBXDWPLAKKNJBG-UHFFFAOYSA-N 0 2 377.447 2.872 20 0 GFADLN CCc1nc(NS(=O)(=O)c2cc(Cl)c(Br)cc2F)no1 ZINC000476214274 564330360 /nfs/dbraw/zinc/33/03/60/564330360.db2.gz FCVOOGREOQXEQE-UHFFFAOYSA-N 0 2 384.614 2.988 20 0 GFADLN COC(=O)c1c(C)c(C)sc1NS(=O)(=O)c1ccc(C(=O)OC)cc1 ZINC000476320664 564335001 /nfs/dbraw/zinc/33/50/01/564335001.db2.gz VYIYQIODVZEBLE-UHFFFAOYSA-N 0 2 383.447 2.739 20 0 GFADLN CC(=O)c1cnccc1NS(=O)(=O)c1cc(Br)sc1C ZINC000476450405 564339905 /nfs/dbraw/zinc/33/99/05/564339905.db2.gz BLLPZWQBRQLHFF-UHFFFAOYSA-N 0 2 375.269 2.639 20 0 GFADLN C[C@H]1OCC[C@]1(C)NC(=O)c1cccc(NS(=O)(=O)c2cccs2)c1 ZINC000543359058 564347392 /nfs/dbraw/zinc/34/73/92/564347392.db2.gz XEXMWAAWEIWBHU-PXAZEXFGSA-N 0 2 380.491 2.846 20 0 GFADLN Cn1ncc2c1[nH]cc(C(=O)N[C@@H]1COc3c1ccc(Cl)c3Cl)c2=O ZINC000512079496 564391811 /nfs/dbraw/zinc/39/18/11/564391811.db2.gz PTCWXUQZJLYCBC-LLVKDONJSA-N 0 2 379.203 2.844 20 0 GFADLN CO[C@@H](CS(=O)(=O)Nc1cc(Cl)ccc1OC[C@@H]1CCOC1)C1CC1 ZINC000567870767 564393887 /nfs/dbraw/zinc/39/38/87/564393887.db2.gz MHMMXPAVNXMMBA-PXAZEXFGSA-N 0 2 389.901 2.922 20 0 GFADLN O=C(c1cc(Br)c(F)cc1O)N1CCOC2(CCOCC2)CC1 ZINC000568026444 564401276 /nfs/dbraw/zinc/40/12/76/564401276.db2.gz RFANJFMAQSTQLQ-UHFFFAOYSA-N 0 2 388.233 2.706 20 0 GFADLN C[N@H+](Cc1cc(Br)ccc1OC(F)F)C1CC[NH+](CCO)CC1 ZINC000513526517 564431368 /nfs/dbraw/zinc/43/13/68/564431368.db2.gz VECXNRVZCOFLNG-UHFFFAOYSA-N 0 2 393.272 2.939 20 0 GFADLN COC(=O)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2OC(F)F)cn1C ZINC000545829216 564433233 /nfs/dbraw/zinc/43/32/33/564433233.db2.gz GLQOYRHXZCKFGX-UHFFFAOYSA-N 0 2 394.783 2.867 20 0 GFADLN C[C@H](CNC(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1)C(F)(F)F ZINC000479368831 564437394 /nfs/dbraw/zinc/43/73/94/564437394.db2.gz SZSLESRUJBOHGO-SECBINFHSA-N 0 2 393.412 2.872 20 0 GFADLN C[C@H]1Cc2cc(S(=O)(=O)Nc3nc4cccnc4n3C)cc(Cl)c2O1 ZINC000545934401 564438100 /nfs/dbraw/zinc/43/81/00/564438100.db2.gz FAMOWUBDJTVCHS-VIFPVBQESA-N 0 2 378.841 2.746 20 0 GFADLN CCn1cc(S(=O)(=O)Nc2cc(I)ccc2C)cn1 ZINC000479558189 564443686 /nfs/dbraw/zinc/44/36/86/564443686.db2.gz WFNBMMHDYPOFAA-UHFFFAOYSA-N 0 2 391.234 2.617 20 0 GFADLN COc1c(Br)ccc(C)c1C(=O)N1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000514674831 564453722 /nfs/dbraw/zinc/45/37/22/564453722.db2.gz HSKCMAWZWMTQDM-UHFFFAOYSA-N 0 2 395.257 2.610 20 0 GFADLN COc1cc(C)c(S(=O)(=O)Nc2nnc(CC(F)(F)F)s2)cc1OC ZINC000479960584 564456023 /nfs/dbraw/zinc/45/60/23/564456023.db2.gz IEFOULWXWKRQDR-UHFFFAOYSA-N 0 2 397.400 2.769 20 0 GFADLN Cn1c(=O)oc2cc(S(=O)(=O)Nc3nc(CC(C)(C)C)cs3)ccc21 ZINC000515494097 564481274 /nfs/dbraw/zinc/48/12/74/564481274.db2.gz ANDQGTCLZFTIGY-UHFFFAOYSA-N 0 2 381.479 2.977 20 0 GFADLN Cc1nc2ccc(S(=O)(=O)Nc3cnn([C@@H]4CCOC4)c3C)cc2s1 ZINC000570133284 564492283 /nfs/dbraw/zinc/49/22/83/564492283.db2.gz JAYBXWXGQAATFN-GFCCVEGCSA-N 0 2 378.479 2.872 20 0 GFADLN O=C(N[C@H]1[C@@H]2CCC[C@@H]21)c1ccc(NS(=O)(=O)c2cccs2)cc1O ZINC000516134124 564494423 /nfs/dbraw/zinc/49/44/23/564494423.db2.gz CFNBKILVELTHQX-ATCWAGBWSA-N 0 2 378.475 2.783 20 0 GFADLN COc1ccc(S(=O)(=O)Nc2ccc([NH+](C)C)cc2C(=O)[O-])cc1Cl ZINC000547875565 564515162 /nfs/dbraw/zinc/51/51/62/564515162.db2.gz BKRNYMZUYLQAIJ-UHFFFAOYSA-N 0 2 384.841 2.914 20 0 GFADLN Cc1cc2c(cc1S(=O)(=O)Nc1nnc(Cc3ccsc3)o1)OCO2 ZINC000481841176 564524794 /nfs/dbraw/zinc/52/47/94/564524794.db2.gz ASCYBVBKZLIKQT-UHFFFAOYSA-N 0 2 379.419 2.560 20 0 GFADLN Cc1cc2sc(NS(=O)(=O)c3ccc(S(C)(=O)=O)nc3)nc2c(C)c1 ZINC000481831850 564525154 /nfs/dbraw/zinc/52/51/54/564525154.db2.gz NOYCHMSNBKTOFE-UHFFFAOYSA-N 0 2 397.503 2.512 20 0 GFADLN C[C@@H]1CCN(C(=O)c2sccc2S(=O)(=O)Nc2cnn(C)c2)[C@H](C)C1 ZINC000517360951 564531968 /nfs/dbraw/zinc/53/19/68/564531968.db2.gz CQXKGRBHIUBWBB-VXGBXAGGSA-N 0 2 382.511 2.543 20 0 GFADLN O=C(Nc1cccc(S(=O)(=O)Nc2nccs2)c1)N1CC[C@@H]1C1CC1 ZINC000517869891 564542770 /nfs/dbraw/zinc/54/27/70/564542770.db2.gz ISCABUREOYHOCP-CQSZACIVSA-N 0 2 378.479 2.960 20 0 GFADLN C[C@@]1(C(=O)[O-])CCN(C(=O)[C@@H](c2ccc(Br)cc2)[NH+]2CCCC2)C1 ZINC000571509913 564554128 /nfs/dbraw/zinc/55/41/28/564554128.db2.gz KADCFCSVQNTNDY-CRAIPNDOSA-N 0 2 395.297 2.909 20 0 GFADLN Cc1nc(NC(=O)CSc2n[nH]c(=O)[nH]2)sc1Cc1cccc(F)c1 ZINC000483140990 564559568 /nfs/dbraw/zinc/55/95/68/564559568.db2.gz RDBKMYIBZKBUMG-UHFFFAOYSA-N 0 2 379.442 2.736 20 0 GFADLN Cc1nn(C)cc1S(=O)(=O)Nc1ccc(Sc2ncccn2)cc1C ZINC000571834242 564569227 /nfs/dbraw/zinc/56/92/27/564569227.db2.gz FSRDWJTXNGMFFE-UHFFFAOYSA-N 0 2 375.479 2.779 20 0 GFADLN O=C(CCOc1ccc(Cl)cc1Cl)N1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000519612903 564583478 /nfs/dbraw/zinc/58/34/78/564583478.db2.gz XXXZZILNAZWOLB-UHFFFAOYSA-N 0 2 385.251 2.992 20 0 GFADLN O=C([O-])[C@H]1CCC[N@H+](Cc2noc(Cc3ccc(Br)cc3)n2)C1 ZINC000572168893 564583536 /nfs/dbraw/zinc/58/35/36/564583536.db2.gz POHYPMVQVXNECB-LBPRGKRZSA-N 0 2 380.242 2.720 20 0 GFADLN O=C([O-])[C@H]1CCC[N@@H+](Cc2noc(Cc3ccc(Br)cc3)n2)C1 ZINC000572168893 564583540 /nfs/dbraw/zinc/58/35/40/564583540.db2.gz POHYPMVQVXNECB-LBPRGKRZSA-N 0 2 380.242 2.720 20 0 GFADLN CCO[C@@H]1C[C@H](NC(=O)N=c2nc(-c3ccccc3Cl)[nH]s2)[C@H]1OC ZINC000484664087 564594408 /nfs/dbraw/zinc/59/44/08/564594408.db2.gz LVNXCZUMFKYNIV-YNEHKIRRSA-N 0 2 382.873 2.594 20 0 GFADLN COC(=O)c1cc(C)nc2nc(NS(=O)(=O)c3ccc(C)cc3)sc21 ZINC000520274044 564600198 /nfs/dbraw/zinc/60/01/98/564600198.db2.gz QCOISABFWURBGT-UHFFFAOYSA-N 0 2 377.447 2.896 20 0 GFADLN CCc1ccccc1N1CC(=O)C(C(=O)NCc2nnc(SC)s2)=N1 ZINC000549754102 564605223 /nfs/dbraw/zinc/60/52/23/564605223.db2.gz RXNCXGZUDHSAMS-UHFFFAOYSA-N 0 2 375.479 2.644 20 0 GFADLN CS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccsc2)c(Br)c1 ZINC000549934727 564609853 /nfs/dbraw/zinc/60/98/53/564609853.db2.gz COVDPBNXUITNGN-UHFFFAOYSA-N 0 2 396.309 2.715 20 0 GFADLN CN(C(=O)CNC(=O)N=c1nc(-c2ccsc2)[nH]s1)C1CCCCC1 ZINC000520721924 564611267 /nfs/dbraw/zinc/61/12/67/564611267.db2.gz MFDUQKYCDHBFPL-UHFFFAOYSA-N 0 2 379.511 2.601 20 0 GFADLN CC[C@H](O)[C@H](CC)NC(=O)c1cccc(NS(=O)(=O)c2cccs2)c1 ZINC000456583824 564618751 /nfs/dbraw/zinc/61/87/51/564618751.db2.gz HBNYRRKTWHAFAU-GJZGRUSLSA-N 0 2 382.507 2.828 20 0 GFADLN CS(=O)(=O)Nc1nnc(NC(=O)C2(Cc3cccc(Cl)c3)CC2)s1 ZINC000573069587 564621519 /nfs/dbraw/zinc/62/15/19/564621519.db2.gz PBBYIYJSHJZOHL-UHFFFAOYSA-N 0 2 386.886 2.524 20 0 GFADLN CCc1noc(C)c1NS(=O)(=O)c1cc(Cl)cc(C(=O)OC)c1OC ZINC000521651266 564633024 /nfs/dbraw/zinc/63/30/24/564633024.db2.gz ZYETUNBDXLAUEX-UHFFFAOYSA-N 0 2 388.829 2.795 20 0 GFADLN COC(=O)c1cc(Cl)cc(S(=O)(=O)Nc2ncc(C)s2)c1OC ZINC000551021434 564636242 /nfs/dbraw/zinc/63/62/42/564636242.db2.gz FNYKRFUGMVJTFI-UHFFFAOYSA-N 0 2 376.843 2.701 20 0 GFADLN CCc1cnc(CS(=O)(=O)c2n[nH]c(-c3ccccc3Br)n2)o1 ZINC000574029008 564665302 /nfs/dbraw/zinc/66/53/02/564665302.db2.gz NOADJNFFZFWVSA-UHFFFAOYSA-N 0 2 397.254 2.759 20 0 GFADLN CCOC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3cccs3)ns2)cc1 ZINC000486836002 564668012 /nfs/dbraw/zinc/66/80/12/564668012.db2.gz JXWJVACBEIZJRX-UHFFFAOYSA-N 0 2 395.487 2.666 20 0 GFADLN Cc1csc(-c2cccc(C(=O)Nc3nnc(NS(C)(=O)=O)s3)c2)n1 ZINC000523488046 564668369 /nfs/dbraw/zinc/66/83/69/564668369.db2.gz MXLOKPTVETWWTI-UHFFFAOYSA-N 0 2 395.491 2.594 20 0 GFADLN COC(=O)c1ccc(S(=O)(=O)Nc2nc3c(s2)CSCC3)c(F)c1 ZINC000551952235 564669954 /nfs/dbraw/zinc/66/99/54/564669954.db2.gz AHQVUBMSUDMDSD-UHFFFAOYSA-N 0 2 388.467 2.659 20 0 GFADLN Cc1cc(Br)c(S(=O)(=O)Nc2cccc3c2CNC3=O)s1 ZINC000575018700 564690671 /nfs/dbraw/zinc/69/06/71/564690671.db2.gz QLFAIBVRSZBNFJ-UHFFFAOYSA-N 0 2 387.280 2.863 20 0 GFADLN CC(C)(C)c1nc(=NC(=O)[C@H](c2ccccc2)N2CCSCC2)s[nH]1 ZINC000524963490 564691122 /nfs/dbraw/zinc/69/11/22/564691122.db2.gz KXYITTJTFWEGKP-AWEZNQCLSA-N 0 2 376.551 2.986 20 0 GFADLN COCCNC(=O)c1cccc(NC(=O)c2cccc(Br)c2O)c1 ZINC000552925460 564704559 /nfs/dbraw/zinc/70/45/59/564704559.db2.gz SGEQHGFKZIYJDC-UHFFFAOYSA-N 0 2 393.237 2.783 20 0 GFADLN COC(=O)c1ccc(C(F)(F)F)cc1NS(=O)(=O)C[C@@H](OC)C1CC1 ZINC000576346410 564712777 /nfs/dbraw/zinc/71/27/77/564712777.db2.gz KMUUQNVREUSHQC-CYBMUJFWSA-N 0 2 381.372 2.659 20 0 GFADLN COc1ccc(-c2cc3[nH]c(CS(=O)(=O)C4CC4)nc(=O)c3s2)cc1 ZINC000525968496 564714402 /nfs/dbraw/zinc/71/44/02/564714402.db2.gz UKDQDFSPWQBMFX-UHFFFAOYSA-N 0 2 376.459 2.737 20 0 GFADLN COC(=O)[C@@H](NS(=O)(=O)c1c(Cl)ccc(F)c1F)c1cccs1 ZINC000553499309 564723199 /nfs/dbraw/zinc/72/31/99/564723199.db2.gz AIURXKPGLNTKAA-NSHDSACASA-N 0 2 381.809 2.872 20 0 GFADLN CCN(CC1CCC1)C(=O)c1sccc1S(=O)(=O)Nc1cnn(C)c1 ZINC000527025354 564726516 /nfs/dbraw/zinc/72/65/16/564726516.db2.gz VFKCMNAXGPTDGK-UHFFFAOYSA-N 0 2 382.511 2.545 20 0 GFADLN Cn1cnnc1-c1cncc(NS(=O)(=O)c2ccc(C(F)(F)F)s2)c1 ZINC000461109291 564789813 /nfs/dbraw/zinc/78/98/13/564789813.db2.gz SOSJTMMJXFMBKB-UHFFFAOYSA-N 0 2 389.384 2.758 20 0 GFADLN CC(=O)Nc1cc(F)c(S(=O)(=O)N[C@@H]2[C@H](C)O[C@H](C)[C@H]2C)c(F)c1Cl ZINC000528551265 564794066 /nfs/dbraw/zinc/79/40/66/564794066.db2.gz MSUVMNUUTUGLOR-IJUVOGGTSA-N 0 2 396.843 2.667 20 0 GFADLN COC(=O)[C@H](NS(=O)(=O)c1ccc(OC)cc1Cl)c1cccs1 ZINC000581391672 564799829 /nfs/dbraw/zinc/79/98/29/564799829.db2.gz QTPKTERZFUWVLL-CYBMUJFWSA-N 0 2 375.855 2.603 20 0 GFADLN CCCc1nsc(NCc2cccc(S(=O)(=O)N3CCCCC3)c2)n1 ZINC000461781975 564805156 /nfs/dbraw/zinc/80/51/56/564805156.db2.gz XACJTFNXKIJDBC-UHFFFAOYSA-N 0 2 380.539 2.699 20 0 GFADLN COC(=O)c1ccccc1S(=O)(=O)Nc1cc(C(F)(F)F)ccc1O ZINC000462098432 564818572 /nfs/dbraw/zinc/81/85/72/564818572.db2.gz BSTADGVSWVNLBW-UHFFFAOYSA-N 0 2 375.324 2.998 20 0 GFADLN CC(=O)Nc1cc(F)c(S(=O)(=O)NCc2ccc(C)nc2)c(F)c1Cl ZINC000462525706 564845368 /nfs/dbraw/zinc/84/53/68/564845368.db2.gz MUYMBHITDLYRHW-UHFFFAOYSA-N 0 2 389.811 2.759 20 0 GFADLN CC1(c2nc(=NC(=O)c3c[nH]c4ncc(Br)cc34)s[nH]2)CC1 ZINC000529697055 564847698 /nfs/dbraw/zinc/84/76/98/564847698.db2.gz GBSFTGWOFANPBH-UHFFFAOYSA-N 0 2 378.255 2.903 20 0 GFADLN CC1(c2nc(=NC(=O)COc3ccc(Br)cc3F)s[nH]2)CC1 ZINC000529701538 564848436 /nfs/dbraw/zinc/84/84/36/564848436.db2.gz BEWFPLZBBVDYLL-UHFFFAOYSA-N 0 2 386.246 2.931 20 0 GFADLN CNS(=O)(=O)c1c(F)cccc1NS(=O)(=O)c1ccc(C(C)C)cc1 ZINC000582639466 564855501 /nfs/dbraw/zinc/85/55/01/564855501.db2.gz XGBYSXACSOBXIZ-UHFFFAOYSA-N 0 2 386.470 2.658 20 0 GFADLN CC(=O)Nc1ncccc1NS(=O)(=O)c1cccc(Br)c1F ZINC000582689340 564857362 /nfs/dbraw/zinc/85/73/62/564857362.db2.gz NCEWYSUEXOCOSD-UHFFFAOYSA-N 0 2 388.218 2.742 20 0 GFADLN Cn1nc(C(F)(F)F)cc1S(=O)(=O)Nc1nc(C2CCOCC2)cs1 ZINC000530156426 564868870 /nfs/dbraw/zinc/86/88/70/564868870.db2.gz CJTZFWNBDDEJIV-UHFFFAOYSA-N 0 2 396.416 2.590 20 0 GFADLN CCOC[C@H]1CN(C(=O)c2cc(Cl)cc(Br)c2O)CCO1 ZINC000530272883 564873993 /nfs/dbraw/zinc/87/39/93/564873993.db2.gz GLQRHMOKZZOCEW-SNVBAGLBSA-N 0 2 378.650 2.686 20 0 GFADLN CC(C)(C)c1nc(=NC(=O)c2ccc(Cl)c(N3CCNC3=O)c2)s[nH]1 ZINC000463481429 564882808 /nfs/dbraw/zinc/88/28/08/564882808.db2.gz MXXIFIWXXNMILI-UHFFFAOYSA-N 0 2 379.873 2.693 20 0 GFADLN CO[C@H](C)c1noc(C[N@H+](C)Cc2cc(Br)ccc2C(=O)[O-])n1 ZINC000583327283 564886667 /nfs/dbraw/zinc/88/66/67/564886667.db2.gz HSSNTLYTVXQKID-SECBINFHSA-N 0 2 384.230 2.870 20 0 GFADLN CO[C@H](C)c1noc(C[N@@H+](C)Cc2cc(Br)ccc2C(=O)[O-])n1 ZINC000583327283 564886669 /nfs/dbraw/zinc/88/66/69/564886669.db2.gz HSSNTLYTVXQKID-SECBINFHSA-N 0 2 384.230 2.870 20 0 GFADLN O=C([C@@H]1C[C@H]1c1ccc(Br)cc1)N1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000583551353 564896811 /nfs/dbraw/zinc/89/68/11/564896811.db2.gz HSQJSBMFOQEUOR-KWCYVHTRSA-N 0 2 391.269 2.783 20 0 GFADLN CSc1cccc(NS(=O)(=O)c2ccccc2S(=O)(=O)NC2CC2)c1 ZINC000583543361 564897050 /nfs/dbraw/zinc/89/70/50/564897050.db2.gz BIUSWJNIQJXDBW-UHFFFAOYSA-N 0 2 398.531 2.650 20 0 GFADLN CN(C[C@H](O)C(F)(F)F)C(=O)N=c1nc(-c2cccc(Cl)c2)[nH]s1 ZINC000558453764 564901704 /nfs/dbraw/zinc/90/17/04/564901704.db2.gz YIOHHSINKKSZOW-VIFPVBQESA-N 0 2 380.779 2.667 20 0 GFADLN CCC(CC)c1nnc(NS(=O)(=O)c2ccc3c(c2)NC(=O)CO3)s1 ZINC000531211995 564904226 /nfs/dbraw/zinc/90/42/26/564904226.db2.gz LKZDNNPUVMTICA-UHFFFAOYSA-N 0 2 382.467 2.573 20 0 GFADLN CC(C)CO[C@H](C)C(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000531253128 564905780 /nfs/dbraw/zinc/90/57/80/564905780.db2.gz JMJZGVICBTVBNC-GFCCVEGCSA-N 0 2 383.495 2.944 20 0 GFADLN COc1cc(NC(=O)c2cccc(Br)c2O)ccc1NC(N)=O ZINC000531642263 564916391 /nfs/dbraw/zinc/91/63/91/564916391.db2.gz SNASWYZRZOSRHA-UHFFFAOYSA-N 0 2 380.198 2.906 20 0 GFADLN C[C@@H]1CN(C(=O)c2ccc(S(=O)(=O)Nc3nccs3)cc2)C[C@@H](C)S1 ZINC000531647081 564917215 /nfs/dbraw/zinc/91/72/15/564917215.db2.gz OHXHHNGDLNYINR-VXGBXAGGSA-N 0 2 397.547 2.910 20 0 GFADLN CCn1cc(S(=O)(=O)Nc2nnc(-c3cc4c(s3)CCCC4)o2)cn1 ZINC000584092908 564919656 /nfs/dbraw/zinc/91/96/56/564919656.db2.gz XZNMJIKDVPYTQJ-UHFFFAOYSA-N 0 2 379.467 2.694 20 0 GFADLN O=C(NC[C@H]1CCCS1)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000531799957 564921163 /nfs/dbraw/zinc/92/11/63/564921163.db2.gz ZPFKUBXMPBDRNV-GFCCVEGCSA-N 0 2 398.535 2.961 20 0 GFADLN COC(=O)c1ccc(NS(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)nc1 ZINC000559186699 564926880 /nfs/dbraw/zinc/92/68/80/564926880.db2.gz UVDYKRZRTXNAJN-UHFFFAOYSA-N 0 2 392.767 2.924 20 0 GFADLN O=C(CCCC(=O)c1ccc(Cl)c(Cl)c1)NCCCc1n[nH]c(=O)[nH]1 ZINC000499518340 564929830 /nfs/dbraw/zinc/92/98/30/564929830.db2.gz IAPOQTRFRFKQGS-UHFFFAOYSA-N 0 2 385.251 2.919 20 0 GFADLN COC(=O)c1cc(S(=O)(=O)Nc2[nH]nc(-c3ccc(C)o3)c2C)cs1 ZINC000532907625 564949805 /nfs/dbraw/zinc/94/98/05/564949805.db2.gz OAMWMFSRDSWNAB-UHFFFAOYSA-N 0 2 381.435 2.935 20 0 GFADLN COC(=O)c1ccc(S(=O)(=O)Nc2nc3ccsc3s2)cc1OC ZINC000500500649 564956028 /nfs/dbraw/zinc/95/60/28/564956028.db2.gz SEUOBUACKOODQM-UHFFFAOYSA-N 0 2 384.460 2.954 20 0 GFADLN COC[C@H](C)Oc1ccc(Cl)cc1NS(=O)(=O)c1cnc2n1CCC2 ZINC000468362359 564982961 /nfs/dbraw/zinc/98/29/61/564982961.db2.gz PCRPYBQOYFNGKJ-NSHDSACASA-N 0 2 385.873 2.697 20 0 GFADLN COC[C@H](C)Oc1ccc(Cl)cc1S(=O)(=O)Nc1noc(C2CC2)n1 ZINC000469131244 565006773 /nfs/dbraw/zinc/00/67/73/565006773.db2.gz ZBBCQUWZRHWVPR-VIFPVBQESA-N 0 2 387.845 2.815 20 0 GFADLN Cc1csc(S(=O)(=O)Nc2nc(CN3C[C@@H](C)O[C@@H](C)C3)cs2)c1 ZINC000562540705 565031993 /nfs/dbraw/zinc/03/19/93/565031993.db2.gz AGSGSVPNJBFXTN-TXEJJXNPSA-N 0 2 387.552 2.923 20 0 GFADLN CC[N@@H+]1CCc2nc([N-]S(=O)(=O)C[C@@H](OC)c3ccccc3)sc2C1 ZINC000562706739 565039145 /nfs/dbraw/zinc/03/91/45/565039145.db2.gz MIGDPMHQVGICQY-OAHLLOKOSA-N 0 2 381.523 2.651 20 0 GFADLN CC[N@H+]1CCc2nc([N-]S(=O)(=O)C[C@@H](OC)c3ccccc3)sc2C1 ZINC000562706739 565039149 /nfs/dbraw/zinc/03/91/49/565039149.db2.gz MIGDPMHQVGICQY-OAHLLOKOSA-N 0 2 381.523 2.651 20 0 GFADLN Cc1nn(C)c(S(=O)(=O)Nc2nnc(CC3CCCC3)o2)c1C(F)F ZINC000562740920 565041370 /nfs/dbraw/zinc/04/13/70/565041370.db2.gz TWXRCXTWIQSPNZ-UHFFFAOYSA-N 0 2 375.401 2.583 20 0 GFADLN CS(=O)(=O)c1ccc(S(=O)(=O)Nc2cc(F)ccc2OC(F)F)cc1 ZINC000470440956 565046135 /nfs/dbraw/zinc/04/61/35/565046135.db2.gz PXIVWNPDGABOSW-UHFFFAOYSA-N 0 2 395.380 2.631 20 0 GFADLN Cn1ccnc1[C@H]1C[C@@H](NC(=O)c2cc(Br)c(F)cc2O)CCO1 ZINC000562970643 565050078 /nfs/dbraw/zinc/05/00/78/565050078.db2.gz IRRBFFQHLKWHIH-LKFCYVNXSA-N 0 2 398.232 2.677 20 0 GFADLN CCOCCNC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000614136601 565098917 /nfs/dbraw/zinc/09/89/17/565098917.db2.gz CQGVBVRFKHSVDQ-UHFFFAOYSA-N 0 2 388.898 2.969 20 0 GFADLN COC(=O)c1sc(NS(=O)(=O)c2c(C)n(C)c3ccccc32)nc1C ZINC000585729906 565106679 /nfs/dbraw/zinc/10/66/79/565106679.db2.gz YAVBXMPVAVPHNY-UHFFFAOYSA-N 0 2 379.463 2.839 20 0 GFADLN COc1cccc(S(=O)(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)c1 ZINC000589263775 565158254 /nfs/dbraw/zinc/15/82/54/565158254.db2.gz OPEMNUKTBUPMMI-UHFFFAOYSA-N 0 2 398.487 2.509 20 0 GFADLN CCOC(=O)c1cc(S(=O)(=O)Nc2cnoc2)cc(Br)c1C ZINC000589550519 565166522 /nfs/dbraw/zinc/16/65/22/565166522.db2.gz YIEJOALMMSUVFD-UHFFFAOYSA-N 0 2 389.227 2.723 20 0 GFADLN O=S(=O)(Nc1cnoc1C1CC1)c1ccc(I)cc1 ZINC000591258149 565219830 /nfs/dbraw/zinc/21/98/30/565219830.db2.gz LGBKSIUEUAARNN-UHFFFAOYSA-N 0 2 390.202 2.957 20 0 GFADLN Cc1cccc(NC(=O)N2CCC[C@H](c3n[nH]c(=O)[nH]3)C2)c1Br ZINC000639991836 565272959 /nfs/dbraw/zinc/27/29/59/565272959.db2.gz ZHGIONVUPVWNTK-JTQLQIEISA-N 0 2 380.246 2.993 20 0 GFADLN Cc1cc(F)c(C(F)(F)F)cc1NS(=O)(=O)c1cnn2c1OCCC2 ZINC000641686868 565394409 /nfs/dbraw/zinc/39/44/09/565394409.db2.gz CDSSXEMPWYLYFY-UHFFFAOYSA-N 0 2 379.335 2.933 20 0 GFADLN CCN(CC)Cc1csc(NS(=O)(=O)c2ccc(C(=O)OC)cc2)n1 ZINC000594582643 565402116 /nfs/dbraw/zinc/40/21/16/565402116.db2.gz QHSRMMFEZYMZFH-UHFFFAOYSA-N 0 2 383.495 2.572 20 0 GFADLN CCC(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)sc2C(=O)OC)cc1 ZINC000594696449 565408405 /nfs/dbraw/zinc/40/84/05/565408405.db2.gz JHCIPDZRJYVXHC-UHFFFAOYSA-N 0 2 382.463 2.992 20 0 GFADLN COC(=O)c1cc(OC)c(S(=O)(=O)Nc2cncc3c2CCCC3)s1 ZINC000594726078 565411630 /nfs/dbraw/zinc/41/16/30/565411630.db2.gz NSUFHVJYJCBWFP-UHFFFAOYSA-N 0 2 382.463 2.618 20 0 GFADLN CO[C@H](C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)C1CCC1 ZINC000621394474 565422708 /nfs/dbraw/zinc/42/27/08/565422708.db2.gz GTRWJDAXXLDACD-AWEZNQCLSA-N 0 2 381.479 2.698 20 0 GFADLN O=S(=O)(Nc1nnc(C2CC2)s1)c1ccnn1CCc1ccccc1 ZINC000622039817 565457768 /nfs/dbraw/zinc/45/77/68/565457768.db2.gz UHQTVAYEHRJENJ-UHFFFAOYSA-N 0 2 375.479 2.656 20 0 GFADLN CO[C@@H](CNC(=O)c1cc(Cl)cc(Br)c1O)[C@@H]1CCOC1 ZINC000622134518 565464204 /nfs/dbraw/zinc/46/42/04/565464204.db2.gz GNBLEXCXWFWGIK-PELKAZGASA-N 0 2 378.650 2.589 20 0 GFADLN Cc1ccc(S(=O)(=O)Nc2ccn(CC(=O)OC(C)(C)C)n2)c(Cl)c1 ZINC000596044653 565508829 /nfs/dbraw/zinc/50/88/29/565508829.db2.gz FLZYNGIMLOEJKZ-UHFFFAOYSA-N 0 2 385.873 2.987 20 0 GFADLN O=S(=O)(Nc1ccnnc1)c1cc(Cl)ccc1OC[C@H]1CCCCO1 ZINC000666387593 565534943 /nfs/dbraw/zinc/53/49/43/565534943.db2.gz QTWKQXUSTUADSH-CQSZACIVSA-N 0 2 383.857 2.879 20 0 GFADLN CCO[C@@H](C(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1)C1CC1 ZINC000625983823 565667885 /nfs/dbraw/zinc/66/78/85/565667885.db2.gz BVWPYSMPZTWYDP-CQSZACIVSA-N 0 2 381.479 2.698 20 0 GFADLN O=C(NC1CCN(CC(F)F)CC1)c1cc(Br)c(F)cc1O ZINC000648220567 565694394 /nfs/dbraw/zinc/69/43/94/565694394.db2.gz PKZRCYUQGFUOJJ-UHFFFAOYSA-N 0 2 381.192 2.753 20 0 GFADLN Cc1nc(NS(=O)(=O)c2ccc(C)c(C(N)=O)c2)sc1C(F)(F)F ZINC000669606991 565695692 /nfs/dbraw/zinc/69/56/92/565695692.db2.gz RMCCRAODHAFHOE-UHFFFAOYSA-N 0 2 379.385 2.678 20 0 GFADLN Cc1ccsc1-c1nc(=NC(=O)N2CC[C@H]3CC[C@@H](C2)[S@@]3=O)s[nH]1 ZINC000599777614 565701145 /nfs/dbraw/zinc/70/11/45/565701145.db2.gz ARCSELALJQXUQN-WVMLHGJZSA-N 0 2 382.536 2.514 20 0 GFADLN CCc1nc(NS(=O)(=O)CCc2c(F)cccc2F)sc1C(=O)OC ZINC000600667930 565744113 /nfs/dbraw/zinc/74/41/13/565744113.db2.gz IPNAACFDIODRJN-UHFFFAOYSA-N 0 2 390.433 2.755 20 0 GFADLN CC(=O)Nc1nc(C)c(S(=O)(=O)Nc2ccc3c(c2)CCCC3=O)s1 ZINC000649655366 565771565 /nfs/dbraw/zinc/77/15/65/565771565.db2.gz FQQFDCVQTIONCQ-UHFFFAOYSA-N 0 2 379.463 2.730 20 0 GFADLN CC(=O)Nc1ccc(S(=O)(=O)Nc2nc3c(s2)CSCC3)c(F)c1 ZINC000671669475 565778333 /nfs/dbraw/zinc/77/83/33/565778333.db2.gz STPJFPSNXLBEBV-UHFFFAOYSA-N 0 2 387.483 2.831 20 0 GFADLN CC(=O)Nc1nc(C)c(S(=O)(=O)Nc2ncc(-c3cccnc3)s2)s1 ZINC000671669325 565778591 /nfs/dbraw/zinc/77/85/91/565778591.db2.gz 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0 2 375.450 2.814 20 0 GFADLN C[N@@H+](CC(=O)N1N=C(c2cccs2)C[C@@H]1c1ccco1)C(C)(C)C(=O)[O-] ZINC000737389747 600136027 /nfs/dbraw/zinc/13/60/27/600136027.db2.gz QGQBTAVBAZYGHA-CYBMUJFWSA-N 0 2 375.450 2.814 20 0 GFADLN O=C([O-])Cc1ccc(S(=O)(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)cc1 ZINC000739886361 600244600 /nfs/dbraw/zinc/24/46/00/600244600.db2.gz DMWCTRNWNAZNOS-UHFFFAOYSA-N 0 2 391.836 2.954 20 0 GFADLN O=C([O-])[C@@H]1CN(C(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)c2ccccc21 ZINC000739597527 600278705 /nfs/dbraw/zinc/27/87/05/600278705.db2.gz DOVFQPFTFFFBEE-MJGOQNOKSA-N 0 2 382.485 2.992 20 0 GFADLN O=C([O-])[C@H]1CC12CC[NH+](CC(=O)Nc1cc3c(cc1Cl)OCCCO3)CC2 ZINC000739279378 600310055 /nfs/dbraw/zinc/31/00/55/600310055.db2.gz WMAAZADKTLDBKB-GFCCVEGCSA-N 0 2 394.855 2.627 20 0 GFADLN O=C([O-])C1CCC(NC(=O)N[C@@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)CC1 ZINC000263267410 600411194 /nfs/dbraw/zinc/41/11/94/600411194.db2.gz REGREMCICCFZEU-YMAMQOFZSA-N 0 2 395.450 2.872 20 0 GFADLN O=C([O-])C1CCC(NC(=O)N[C@@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)CC1 ZINC000263267410 600411197 /nfs/dbraw/zinc/41/11/97/600411197.db2.gz REGREMCICCFZEU-YMAMQOFZSA-N 0 2 395.450 2.872 20 0 GFADLN O=C([O-])Nc1ccc(CCNC(=O)NC2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000740017886 600457431 /nfs/dbraw/zinc/45/74/31/600457431.db2.gz NPOBKSGJZJCHJE-UHFFFAOYSA-N 0 2 383.452 2.682 20 0 GFADLN C[C@H]1c2ccc(F)cc2CC[N@H+]1CC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC000736839507 600471251 /nfs/dbraw/zinc/47/12/51/600471251.db2.gz APKWMZILKRWHAE-XOBRGWDASA-N 0 2 382.435 2.783 20 0 GFADLN C[C@H]1c2ccc(F)cc2CC[N@@H+]1CC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC000736839507 600471253 /nfs/dbraw/zinc/47/12/53/600471253.db2.gz APKWMZILKRWHAE-XOBRGWDASA-N 0 2 382.435 2.783 20 0 GFADLN C[C@H]1c2c(F)cccc2CC[N@H+]1CC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC000736838394 600471549 /nfs/dbraw/zinc/47/15/49/600471549.db2.gz RTZQBWUDODWHQO-LIRRHRJNSA-N 0 2 382.435 2.783 20 0 GFADLN C[C@H]1c2c(F)cccc2CC[N@@H+]1CC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-] ZINC000736838394 600471552 /nfs/dbraw/zinc/47/15/52/600471552.db2.gz RTZQBWUDODWHQO-LIRRHRJNSA-N 0 2 382.435 2.783 20 0 GFADLN O=C([O-])[C@H]1CCCN(C(=O)N[C@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)C1 ZINC000263281026 600750062 /nfs/dbraw/zinc/75/00/62/600750062.db2.gz TUDHKBIEMKKOHA-HOCLYGCPSA-N 0 2 397.878 2.950 20 0 GFADLN O=C([O-])[C@H]1CCCN(C(=O)N[C@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)C1 ZINC000263281026 600750065 /nfs/dbraw/zinc/75/00/65/600750065.db2.gz TUDHKBIEMKKOHA-HOCLYGCPSA-N 0 2 397.878 2.950 20 0 GFADLN CC[N@H+](C)[C@H](C(=O)OCC(=O)Nc1cc(C(=O)[O-])ccc1C)c1ccccc1 ZINC000737069628 600759107 /nfs/dbraw/zinc/75/91/07/600759107.db2.gz ZYDOZHZWNYCTMJ-IBGZPJMESA-N 0 2 384.432 2.868 20 0 GFADLN CC[N@@H+](C)[C@H](C(=O)OCC(=O)Nc1cc(C(=O)[O-])ccc1C)c1ccccc1 ZINC000737069628 600759108 /nfs/dbraw/zinc/75/91/08/600759108.db2.gz ZYDOZHZWNYCTMJ-IBGZPJMESA-N 0 2 384.432 2.868 20 0 GFADLN COc1ccc(C[N@H+](C)[C@@H]2CCN(c3sccc3C(=O)[O-])C2=O)c(OC)c1 ZINC000832310839 600819655 /nfs/dbraw/zinc/81/96/55/600819655.db2.gz IZTMTZXYWNNQIB-OAHLLOKOSA-N 0 2 390.461 2.701 20 0 GFADLN COc1ccc(C[N@@H+](C)[C@@H]2CCN(c3sccc3C(=O)[O-])C2=O)c(OC)c1 ZINC000832310839 600819657 /nfs/dbraw/zinc/81/96/57/600819657.db2.gz IZTMTZXYWNNQIB-OAHLLOKOSA-N 0 2 390.461 2.701 20 0 GFADLN C[C@@H](C(=O)N1CC[NH+]([C@@H](C(=O)[O-])c2ccc(Cl)cc2)CC1)C(F)(F)F ZINC000825989838 600859377 /nfs/dbraw/zinc/85/93/77/600859377.db2.gz HINRQQRRGBGOBJ-GXFFZTMASA-N 0 2 378.778 2.808 20 0 GFADLN CN(C[C@@H]1CCC[N@@H+]1CC(=O)Nc1cccc(C(=O)[O-])c1)C(=O)OC(C)(C)C ZINC000830717685 601039096 /nfs/dbraw/zinc/03/90/96/601039096.db2.gz DYSMVXYBSDAIIV-INIZCTEOSA-N 0 2 391.468 2.655 20 0 GFADLN CN(C[C@@H]1CCC[N@H+]1CC(=O)Nc1cccc(C(=O)[O-])c1)C(=O)OC(C)(C)C ZINC000830717685 601039097 /nfs/dbraw/zinc/03/90/97/601039097.db2.gz DYSMVXYBSDAIIV-INIZCTEOSA-N 0 2 391.468 2.655 20 0 GFADLN O=C([O-])CC1(NC(=O)c2cccc(NC(=O)CCn3cc[nH+]c3)c2)CCCCC1 ZINC000663119943 601185438 /nfs/dbraw/zinc/18/54/38/601185438.db2.gz QTJYYXPIZZTZNA-UHFFFAOYSA-N 0 2 398.463 2.819 20 0 GFADLN C[C@H]1CN(Cc2csc(-c3cccc(C(=O)[O-])c3)n2)C[C@@H]1[NH+]1CCOCC1 ZINC000828464338 601324973 /nfs/dbraw/zinc/32/49/73/601324973.db2.gz UDLXHWBPVDWBIX-KSSFIOAISA-N 0 2 387.505 2.661 20 0 GFADLN COC(=O)c1cc(CN2CC[N@H+](Cc3cc(C(=O)[O-])c(C)o3)[C@H](C)C2)oc1C ZINC000831248733 601356433 /nfs/dbraw/zinc/35/64/33/601356433.db2.gz QGMZJBUVVPPYOG-GFCCVEGCSA-N 0 2 390.436 2.681 20 0 GFADLN COC(=O)c1cc(CN2CC[N@@H+](Cc3cc(C(=O)[O-])c(C)o3)[C@H](C)C2)oc1C ZINC000831248733 601356434 /nfs/dbraw/zinc/35/64/34/601356434.db2.gz QGMZJBUVVPPYOG-GFCCVEGCSA-N 0 2 390.436 2.681 20 0 GFADLN O=C([O-])CCOc1ccc(S(=O)(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)cc1 ZINC000833240499 601363275 /nfs/dbraw/zinc/36/32/75/601363275.db2.gz UTRAGDPDGPKYAG-UHFFFAOYSA-N 0 2 387.417 2.731 20 0 GFADLN Cc1[nH]c(C(=O)[C@H](C)[N@@H+]2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)c(C)c1C(=O)[O-] ZINC000832842481 601385618 /nfs/dbraw/zinc/38/56/18/601385618.db2.gz CKILQCWSWQNOLI-KBPBESRZSA-N 0 2 393.484 2.842 20 0 GFADLN Cc1[nH]c(C(=O)[C@H](C)[N@H+]2CC[C@H](N(C)C(=O)OC(C)(C)C)C2)c(C)c1C(=O)[O-] ZINC000832842481 601385620 /nfs/dbraw/zinc/38/56/20/601385620.db2.gz CKILQCWSWQNOLI-KBPBESRZSA-N 0 2 393.484 2.842 20 0 GFADLN Cc1sc(C(=O)[O-])cc1CON=C(N)c1cccc(C[NH+]2CCOCC2)c1 ZINC000833031233 601634351 /nfs/dbraw/zinc/63/43/51/601634351.db2.gz ILHPGJPKVMUBJU-UHFFFAOYSA-N 0 2 389.477 2.634 20 0 GFADLN C[C@@H]1CN(C(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)C[C@@H]1C(=O)[O-] ZINC000828355592 601803556 /nfs/dbraw/zinc/80/35/56/601803556.db2.gz YYPITZULXVYBPD-DVOMOZLQSA-N 0 2 397.878 2.978 20 0 GFADLN COc1c(C)c[nH+]c(CNS(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)c1C ZINC000761286640 601836929 /nfs/dbraw/zinc/83/69/29/601836929.db2.gz NRQCSPXASJAKLT-UHFFFAOYSA-N 0 2 384.841 2.537 20 0 GFADLN Cc1cc(C(=O)C[N@@H+]2CCSC[C@@H]2CC(=O)[O-])c(C)n1CC(F)(F)F ZINC000832858384 601886672 /nfs/dbraw/zinc/88/66/72/601886672.db2.gz IENUJBKHMFMJBH-LBPRGKRZSA-N 0 2 378.416 2.742 20 0 GFADLN Cc1cc(C(=O)C[N@H+]2CCSC[C@@H]2CC(=O)[O-])c(C)n1CC(F)(F)F ZINC000832858384 601886674 /nfs/dbraw/zinc/88/66/74/601886674.db2.gz IENUJBKHMFMJBH-LBPRGKRZSA-N 0 2 378.416 2.742 20 0 GFADLN O=C([O-])N1[C@H](C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C[C@@H]2CCCC[C@@H]21 ZINC000740443815 601907969 /nfs/dbraw/zinc/90/79/69/601907969.db2.gz ADOHSDVNNAWPBA-ZVZYQTTQSA-N 0 2 386.427 2.939 20 0 GFADLN C[C@H](C(=O)N(C)Cc1nc2ccccc2s1)[N@@H+]1CCC[C@@H](N(C)C(=O)[O-])C1 ZINC000738604346 601968834 /nfs/dbraw/zinc/96/88/34/601968834.db2.gz QVVBYOKLTXAVFB-ZIAGYGMSSA-N 0 2 390.509 2.717 20 0 GFADLN C[C@H](C(=O)N(C)Cc1nc2ccccc2s1)[N@H+]1CCC[C@@H](N(C)C(=O)[O-])C1 ZINC000738604346 601968836 /nfs/dbraw/zinc/96/88/36/601968836.db2.gz QVVBYOKLTXAVFB-ZIAGYGMSSA-N 0 2 390.509 2.717 20 0 GFADLN Cc1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000738520001 602018173 /nfs/dbraw/zinc/01/81/73/602018173.db2.gz TXKHYPRXEJNUJG-UKRRQHHQSA-N 0 2 391.468 2.619 20 0 GFADLN Cc1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)[N@H+]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000738520001 602018175 /nfs/dbraw/zinc/01/81/75/602018175.db2.gz TXKHYPRXEJNUJG-UKRRQHHQSA-N 0 2 391.468 2.619 20 0 GFADLN C[C@@H](NC(=O)NCc1ccccc1Cn1cc[nH+]c1)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000738980994 602071574 /nfs/dbraw/zinc/07/15/74/602071574.db2.gz PRQDUSQNWRHUCM-NVXWUHKLSA-N 0 2 385.468 2.509 20 0 GFADLN O=C([O-])N1CCC(n2cccc2C(=O)NCc2cc[nH+]c(N3CCCC3)c2)CC1 ZINC000740451050 602231101 /nfs/dbraw/zinc/23/11/01/602231101.db2.gz DOYXAZJWZCNCBR-UHFFFAOYSA-N 0 2 397.479 2.728 20 0 GFADLN CC(C)c1cnc(C[N@H+](C)[C@@H]2CCN(C(=O)[C@@H]3CCC[C@H](C(=O)[O-])C3)C2)o1 ZINC000827139017 602317203 /nfs/dbraw/zinc/31/72/03/602317203.db2.gz BPXWFMABMNALET-OWCLPIDISA-N 0 2 377.485 2.722 20 0 GFADLN CC(C)c1cnc(C[N@@H+](C)[C@@H]2CCN(C(=O)[C@@H]3CCC[C@H](C(=O)[O-])C3)C2)o1 ZINC000827139017 602317206 /nfs/dbraw/zinc/31/72/06/602317206.db2.gz BPXWFMABMNALET-OWCLPIDISA-N 0 2 377.485 2.722 20 0 GFADLN CC[C@@H]1CCCN(C(=O)[C@H](Cc2cn(Cc3ccccc3)c[nH+]2)NC(=O)[O-])C1 ZINC000739272944 602499045 /nfs/dbraw/zinc/49/90/45/602499045.db2.gz RWERDPCNSOMGHL-APWZRJJASA-N 0 2 384.480 2.759 20 0 GFADLN C[C@H](NC(=O)NCC[NH+]1CCN(C(=O)[O-])CC1)c1csc2ccccc21 ZINC000738975094 602680604 /nfs/dbraw/zinc/68/06/04/602680604.db2.gz FXLHQYUEVFRCFR-ZDUSSCGKSA-N 0 2 376.482 2.557 20 0 GFADLN CC(C)[C@H](CNC(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1)NC(=O)[O-] ZINC000739112599 602793440 /nfs/dbraw/zinc/79/34/40/602793440.db2.gz STXJCSVSZOXCGN-OCCSQVGLSA-N 0 2 383.518 2.789 20 0 GFADLN CC(C)[C@H](CNC(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1)NC(=O)[O-] ZINC000739112599 602793443 /nfs/dbraw/zinc/79/34/43/602793443.db2.gz STXJCSVSZOXCGN-OCCSQVGLSA-N 0 2 383.518 2.789 20 0 GFADLN CC(C)[C@H](CNC(=O)Nc1ccccc1C[NH+]1C[C@@H](C)O[C@H](C)C1)NC(=O)[O-] ZINC000739187131 602822212 /nfs/dbraw/zinc/82/22/12/602822212.db2.gz HQBUHXIPSXBYLE-RKVPGOIHSA-N 0 2 392.500 2.710 20 0 GFADLN 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599810878 /nfs/dbraw/zinc/81/08/78/599810878.db2.gz ROLOJZVLGURABA-OAHLLOKOSA-N 0 2 387.402 2.642 20 0 GFADLN COc1ccccc1C[NH+]1CCN(C(=O)Nc2cc(C(=O)[O-])ccc2F)CC1 ZINC000738132807 599819542 /nfs/dbraw/zinc/81/95/42/599819542.db2.gz CYPJQRRCCCHQDI-UHFFFAOYSA-N 0 2 387.411 2.882 20 0 GFADLN C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)c1cccc(C(=O)[O-])c1 ZINC000570728164 599849709 /nfs/dbraw/zinc/84/97/09/599849709.db2.gz YNQCXBHXZJODHX-KRWDZBQOSA-N 0 2 382.460 2.748 20 0 GFADLN COc1ccc([C@H]([NH2+]CC(=O)N[C@@H](c2ccc(C)cc2)C2CC2)C(=O)[O-])cc1 ZINC000737968734 599860377 /nfs/dbraw/zinc/86/03/77/599860377.db2.gz DHVQHUIVHFYFTM-SFTDATJTSA-N 0 2 382.460 2.986 20 0 GFADLN COc1ccc([C@@H]([NH2+]CC(=O)Nc2ccc(N3CCCC3)cc2C)C(=O)[O-])cc1 ZINC000737971488 599861872 /nfs/dbraw/zinc/86/18/72/599861872.db2.gz KOYWGAKVOFQBKS-OAQYLSRUSA-N 0 2 397.475 2.958 20 0 GFADLN Cc1oc(C[NH+]2CCN(Cc3cnn(-c4ccccc4)c3)CC2)cc1C(=O)[O-] ZINC000738977336 599965086 /nfs/dbraw/zinc/96/50/86/599965086.db2.gz CNBHJUMYMKUUCV-UHFFFAOYSA-N 0 2 380.448 2.790 20 0 GFADLN CCOC(=O)c1cc(C)sc1NC(=O)C[NH2+][C@H](C(=O)[O-])c1ccccc1 ZINC000737154486 600261713 /nfs/dbraw/zinc/26/17/13/600261713.db2.gz XACHJKAUVBWZBY-HNNXBMFYSA-N 0 2 376.434 2.587 20 0 GFADLN CC(C)C[C@H](NC(=O)[O-])C(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000736424570 600271513 /nfs/dbraw/zinc/27/15/13/600271513.db2.gz XQKRAEBWIPERIN-GUYCJALGSA-N 0 2 383.439 2.728 20 0 GFADLN CC(C)C[C@H](NC(=O)[O-])C(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000736424570 600271515 /nfs/dbraw/zinc/27/15/15/600271515.db2.gz XQKRAEBWIPERIN-GUYCJALGSA-N 0 2 383.439 2.728 20 0 GFADLN Cc1cc(NC(=O)[C@H](C)[NH+]2CCN(c3ccc(F)cc3)CC2)ccc1C(=O)[O-] ZINC000237510368 600393868 /nfs/dbraw/zinc/39/38/68/600393868.db2.gz UJNPXNIQHCXLPI-HNNXBMFYSA-N 0 2 385.439 2.982 20 0 GFADLN O=C([O-])c1ccc(NC(=O)NCc2cn3c([nH+]2)CCCC3)c(OC(F)F)c1 ZINC000739450258 600405424 /nfs/dbraw/zinc/40/54/24/600405424.db2.gz HLUBXJRTYBVIFJ-UHFFFAOYSA-N 0 2 380.351 2.841 20 0 GFADLN COC(=O)c1cc(NC(=O)N[C@H](Cn2cc[nH+]c2)C(C)(C)C)ccc1C(=O)[O-] ZINC000831289852 600658161 /nfs/dbraw/zinc/65/81/61/600658161.db2.gz RBMQYPSXSVHILX-OAHLLOKOSA-N 0 2 388.424 2.604 20 0 GFADLN C[C@@H]1C[N@H+](CC(=O)Nc2ccsc2C(=O)[O-])CC[C@@H]1NC(=O)OC(C)(C)C ZINC000736810989 600715338 /nfs/dbraw/zinc/71/53/38/600715338.db2.gz PURIQYWUTWKOIS-NEPJUHHUSA-N 0 2 397.497 2.620 20 0 GFADLN C[C@@H]1C[N@@H+](CC(=O)Nc2ccsc2C(=O)[O-])CC[C@@H]1NC(=O)OC(C)(C)C ZINC000736810989 600715341 /nfs/dbraw/zinc/71/53/41/600715341.db2.gz PURIQYWUTWKOIS-NEPJUHHUSA-N 0 2 397.497 2.620 20 0 GFADLN Cc1ccc(S(=O)(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)cc1C(=O)[O-] ZINC000832956340 600766661 /nfs/dbraw/zinc/76/66/61/600766661.db2.gz ZPVVXSGWVFXPFV-KRWDZBQOSA-N 0 2 396.896 2.928 20 0 GFADLN O=C([O-])c1sc(NCc2cccc(OCC[NH+]3CCOCC3)c2)nc1Cl ZINC000833347193 600811369 /nfs/dbraw/zinc/81/13/69/600811369.db2.gz XNQPWMLQFJGZSK-UHFFFAOYSA-N 0 2 397.884 2.818 20 0 GFADLN Cc1cc(NC(=O)C[NH2+][C@@H](C(=O)[O-])c2ccccc2)n(-c2ccccc2F)n1 ZINC000738429628 600952107 /nfs/dbraw/zinc/95/21/07/600952107.db2.gz DGEDKZJFBLOVQB-LJQANCHMSA-N 0 2 382.395 2.674 20 0 GFADLN CC(C)c1nc(CN(C)[C@H]2CC[N@@H+]([C@H](C(=O)[O-])c3ccccc3F)C2)no1 ZINC000827153255 601028129 /nfs/dbraw/zinc/02/81/29/601028129.db2.gz PLZWSATXROTUEH-GUYCJALGSA-N 0 2 376.432 2.664 20 0 GFADLN CC(C)c1nc(CN(C)[C@H]2CC[N@H+]([C@H](C(=O)[O-])c3ccccc3F)C2)no1 ZINC000827153255 601028130 /nfs/dbraw/zinc/02/81/30/601028130.db2.gz PLZWSATXROTUEH-GUYCJALGSA-N 0 2 376.432 2.664 20 0 GFADLN O=C([O-])Cc1csc(NC(=O)C[N@@H+]2CC[C@@H](CSc3ccccc3)C2)n1 ZINC000833268964 601035556 /nfs/dbraw/zinc/03/55/56/601035556.db2.gz IUCIINIVLQNDOV-CYBMUJFWSA-N 0 2 391.518 2.823 20 0 GFADLN O=C([O-])Cc1csc(NC(=O)C[N@H+]2CC[C@@H](CSc3ccccc3)C2)n1 ZINC000833268964 601035559 /nfs/dbraw/zinc/03/55/59/601035559.db2.gz IUCIINIVLQNDOV-CYBMUJFWSA-N 0 2 391.518 2.823 20 0 GFADLN CC(C)(C(=O)[O-])c1ccc(NC(=O)N2CCCC[C@@H]2C[NH+]2CCOCC2)cc1 ZINC000826118659 601094391 /nfs/dbraw/zinc/09/43/91/601094391.db2.gz QUVPBPOCLMQBQY-GOSISDBHSA-N 0 2 389.496 2.767 20 0 GFADLN Cc1ccc(NC(=O)C(=O)N[C@@H](C)c2cccc(-n3cc[nH+]c3)c2)cc1C(=O)[O-] ZINC000832941563 601169298 /nfs/dbraw/zinc/16/92/98/601169298.db2.gz QKCKQHXUCUFBQC-AWEZNQCLSA-N 0 2 392.415 2.695 20 0 GFADLN Cc1[nH]c(C(=O)C[N@@H+]2CCC[C@@H](CNC(=O)c3ccccc3)C2)c(C)c1C(=O)[O-] ZINC000832844524 601184489 /nfs/dbraw/zinc/18/44/89/601184489.db2.gz RUUXZTLLYJMVAF-INIZCTEOSA-N 0 2 397.475 2.654 20 0 GFADLN Cc1[nH]c(C(=O)C[N@H+]2CCC[C@@H](CNC(=O)c3ccccc3)C2)c(C)c1C(=O)[O-] ZINC000832844524 601184491 /nfs/dbraw/zinc/18/44/91/601184491.db2.gz RUUXZTLLYJMVAF-INIZCTEOSA-N 0 2 397.475 2.654 20 0 GFADLN O=C([O-])c1cc(S(=O)(=O)N2CC[N@@H+]3CCCC[C@H]3C2)c(Cl)cc1Cl ZINC000324165190 601218427 /nfs/dbraw/zinc/21/84/27/601218427.db2.gz DARQXMOVNCQCSP-JTQLQIEISA-N 0 2 393.292 2.550 20 0 GFADLN O=C([O-])c1cc(S(=O)(=O)N2CC[N@H+]3CCCC[C@H]3C2)c(Cl)cc1Cl ZINC000324165190 601218429 /nfs/dbraw/zinc/21/84/29/601218429.db2.gz DARQXMOVNCQCSP-JTQLQIEISA-N 0 2 393.292 2.550 20 0 GFADLN O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)C[N@@H+]1CCC[C@@H]1c1ccccn1 ZINC000833106461 601360398 /nfs/dbraw/zinc/36/03/98/601360398.db2.gz SXYZYVPNKYXHLD-VQTJNVASSA-N 0 2 392.459 2.512 20 0 GFADLN O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)C[N@H+]1CCC[C@@H]1c1ccccn1 ZINC000833106461 601360400 /nfs/dbraw/zinc/36/04/00/601360400.db2.gz SXYZYVPNKYXHLD-VQTJNVASSA-N 0 2 392.459 2.512 20 0 GFADLN O=C([O-])[C@]1(F)CC[N@H+](CC(=O)N2Cc3ccccc3[C@H](c3ccccc3)C2)C1 ZINC000833105384 601557425 /nfs/dbraw/zinc/55/74/25/601557425.db2.gz IUPWPHDKOAHDKX-UGKGYDQZSA-N 0 2 382.435 2.659 20 0 GFADLN O=C([O-])[C@]1(F)CC[N@@H+](CC(=O)N2Cc3ccccc3[C@H](c3ccccc3)C2)C1 ZINC000833105384 601557427 /nfs/dbraw/zinc/55/74/27/601557427.db2.gz IUPWPHDKOAHDKX-UGKGYDQZSA-N 0 2 382.435 2.659 20 0 GFADLN Cc1c(Br)c(C(=O)[O-])nn1C[N@H+](C)CCOCc1ccccc1 ZINC000832848360 601636457 /nfs/dbraw/zinc/63/64/57/601636457.db2.gz BISJMQFNQBVLSJ-UHFFFAOYSA-N 0 2 382.258 2.758 20 0 GFADLN Cc1c(Br)c(C(=O)[O-])nn1C[N@@H+](C)CCOCc1ccccc1 ZINC000832848360 601636458 /nfs/dbraw/zinc/63/64/58/601636458.db2.gz BISJMQFNQBVLSJ-UHFFFAOYSA-N 0 2 382.258 2.758 20 0 GFADLN CC(C)(CNC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1)C(=O)[O-] ZINC000826576794 601671715 /nfs/dbraw/zinc/67/17/15/601671715.db2.gz LYBMUOYDNUIQQV-CQSZACIVSA-N 0 2 385.867 2.854 20 0 GFADLN CC(C)(CNC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1)C(=O)[O-] ZINC000826576794 601671717 /nfs/dbraw/zinc/67/17/17/601671717.db2.gz LYBMUOYDNUIQQV-CQSZACIVSA-N 0 2 385.867 2.854 20 0 GFADLN O=C([O-])CCC1CC[NH+](Cc2nc3c(cnn3-c3ccccc3)c(=O)[nH]2)CC1 ZINC000662216732 601844191 /nfs/dbraw/zinc/84/41/91/601844191.db2.gz NITSOSFKFRGAAG-UHFFFAOYSA-N 0 2 381.436 2.598 20 0 GFADLN CCOC(=O)c1cc(C)sc1NC(=O)C[NH+]1CCC(CCC(=O)[O-])CC1 ZINC000829873012 601844595 /nfs/dbraw/zinc/84/45/95/601844595.db2.gz HUSYMIOUWSRUFH-UHFFFAOYSA-N 0 2 382.482 2.749 20 0 GFADLN CC[N@@H+](Cc1ccc(C)cc1)CN1C(=O)CN(c2cccc(C(=O)[O-])c2)C1=O ZINC000829719022 601875994 /nfs/dbraw/zinc/87/59/94/601875994.db2.gz WTBOWIOUEBQXRT-UHFFFAOYSA-N 0 2 381.432 2.941 20 0 GFADLN CC[N@H+](Cc1ccc(C)cc1)CN1C(=O)CN(c2cccc(C(=O)[O-])c2)C1=O ZINC000829719022 601875996 /nfs/dbraw/zinc/87/59/96/601875996.db2.gz WTBOWIOUEBQXRT-UHFFFAOYSA-N 0 2 381.432 2.941 20 0 GFADLN Cn1c(COc2ccc(Cl)cc2)nn(C[N@@H+]2CC[C@](C)(C(=O)[O-])C2)c1=S ZINC000833040120 601895214 /nfs/dbraw/zinc/89/52/14/601895214.db2.gz UBQXLQXJJPKQRK-KRWDZBQOSA-N 0 2 396.900 2.938 20 0 GFADLN Cn1c(COc2ccc(Cl)cc2)nn(C[N@H+]2CC[C@](C)(C(=O)[O-])C2)c1=S ZINC000833040120 601895217 /nfs/dbraw/zinc/89/52/17/601895217.db2.gz UBQXLQXJJPKQRK-KRWDZBQOSA-N 0 2 396.900 2.938 20 0 GFADLN Cc1ccc2cccc(NS(=O)(=O)c3cccc(C)c3-c3nn[nH]n3)c2n1 ZINC000826295126 607535777 /nfs/dbraw/zinc/53/57/77/607535777.db2.gz SGDQNCKBMBVENZ-UHFFFAOYSA-N 0 2 380.433 2.833 20 0 GFADLN Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)[N@@H+]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000738519630 602017935 /nfs/dbraw/zinc/01/79/35/602017935.db2.gz TXKHYPRXEJNUJG-DZGCQCFKSA-N 0 2 391.468 2.619 20 0 GFADLN Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)[N@H+]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000738519630 602017939 /nfs/dbraw/zinc/01/79/39/602017939.db2.gz TXKHYPRXEJNUJG-DZGCQCFKSA-N 0 2 391.468 2.619 20 0 GFADLN O=C([O-])c1csc(NC(=O)c2cccc(NC(=O)CCn3cc[nH+]c3)c2)c1 ZINC000833104104 602179177 /nfs/dbraw/zinc/17/91/77/602179177.db2.gz YGIRVBCHNAJTHY-UHFFFAOYSA-N 0 2 384.417 2.924 20 0 GFADLN Cn1c(COc2ccccc2)nn(C[N@@H+]2CCCC[C@@H]2CC(=O)[O-])c1=S ZINC000833039246 602190181 /nfs/dbraw/zinc/19/01/81/602190181.db2.gz FQJFYUFXFFIEBA-CQSZACIVSA-N 0 2 376.482 2.817 20 0 GFADLN Cn1c(COc2ccccc2)nn(C[N@H+]2CCCC[C@@H]2CC(=O)[O-])c1=S ZINC000833039246 602190184 /nfs/dbraw/zinc/19/01/84/602190184.db2.gz FQJFYUFXFFIEBA-CQSZACIVSA-N 0 2 376.482 2.817 20 0 GFADLN COC[C@H](C)n1c(C)cc(C(=O)C[NH+]2CCC(CN(C)C(=O)[O-])CC2)c1C ZINC000739803122 602386018 /nfs/dbraw/zinc/38/60/18/602386018.db2.gz CHPVMTKREXVPHH-HNNXBMFYSA-N 0 2 379.501 2.817 20 0 GFADLN O=C([O-])N[C@@H]1CC[N@H+](CC(=O)N[C@H](c2ccccc2)c2ccc(Cl)cc2)C1 ZINC000740593302 602428823 /nfs/dbraw/zinc/42/88/23/602428823.db2.gz FPKSTZIMBSJIBC-IEBWSBKVSA-N 0 2 387.867 2.888 20 0 GFADLN O=C([O-])N[C@@H]1CC[N@@H+](CC(=O)N[C@H](c2ccccc2)c2ccc(Cl)cc2)C1 ZINC000740593302 602428824 /nfs/dbraw/zinc/42/88/24/602428824.db2.gz FPKSTZIMBSJIBC-IEBWSBKVSA-N 0 2 387.867 2.888 20 0 GFADLN CN(CC(=O)N(CCCn1cc[nH+]c1)Cc1c(F)cccc1Cl)C(=O)[O-] ZINC000737384305 602511618 /nfs/dbraw/zinc/51/16/18/602511618.db2.gz DBHJTHNIRFCPDC-UHFFFAOYSA-N 0 2 382.823 2.704 20 0 GFADLN C[C@H]1CCN(C(=O)C[NH+]2CCC(N(C)C(=O)[O-])CC2)c2ccccc2S1 ZINC000737751118 602535540 /nfs/dbraw/zinc/53/55/40/602535540.db2.gz CVOZZTHEWSXTGK-AWEZNQCLSA-N 0 2 377.510 2.978 20 0 GFADLN Cc1ccc(S(=O)(=O)c2ccc(C[N@@H+](C)[C@H](C)CNC(=O)[O-])cc2)cc1 ZINC000740150461 602555523 /nfs/dbraw/zinc/55/55/23/602555523.db2.gz GVUVIJPWAUJGQL-OAHLLOKOSA-N 0 2 376.478 2.916 20 0 GFADLN Cc1ccc(S(=O)(=O)c2ccc(C[N@H+](C)[C@H](C)CNC(=O)[O-])cc2)cc1 ZINC000740150461 602555526 /nfs/dbraw/zinc/55/55/26/602555526.db2.gz GVUVIJPWAUJGQL-OAHLLOKOSA-N 0 2 376.478 2.916 20 0 GFADLN C[C@@H](NC(=O)NCC[NH+]1CCN(C(=O)[O-])CC1)c1csc2ccccc21 ZINC000738975093 602680378 /nfs/dbraw/zinc/68/03/78/602680378.db2.gz FXLHQYUEVFRCFR-CYBMUJFWSA-N 0 2 376.482 2.557 20 0 GFADLN O=C([O-])N1CC[C@@H](CCNC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)C1 ZINC000740427299 602690240 /nfs/dbraw/zinc/69/02/40/602690240.db2.gz MKFPYYFRPJXLJZ-CYBMUJFWSA-N 0 2 381.502 2.641 20 0 GFADLN Cc1ccc(C(=O)N2CC[NH+](C[C@H](O)c3ccccc3)CC2)cc1NC(=O)[O-] ZINC000830197875 602866243 /nfs/dbraw/zinc/86/62/43/602866243.db2.gz CSMHUSFKFUWBIC-IBGZPJMESA-N 0 2 383.448 2.576 20 0 GFADLN C[C@@H](c1cccc(NC(=O)N[C@@H]2CCCCN(C(=O)[O-])C2)c1)[NH+]1CCOCC1 ZINC000739055604 602952482 /nfs/dbraw/zinc/95/24/82/602952482.db2.gz GMCBDJOMFGTUKI-MAUKXSAKSA-N 0 2 390.484 2.734 20 0 GFADLN C[C@@H](c1cccc(NC(=O)N2CCC[C@@H]2CN(C)C(=O)[O-])c1)[NH+]1CCOCC1 ZINC000825629541 603312073 /nfs/dbraw/zinc/31/20/73/603312073.db2.gz 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ZINC000740493766 602154533 /nfs/dbraw/zinc/15/45/33/602154533.db2.gz IFRFASRQOJGRPA-MRXNPFEDSA-N 0 2 382.464 2.828 20 0 GFADLN C[C@@H]1CCN(S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)C[C@@H]1n1cc[nH+]c1 ZINC000828295253 602320665 /nfs/dbraw/zinc/32/06/65/602320665.db2.gz CHRFIKFIHRIQRF-RISCZKNCSA-N 0 2 383.857 2.507 20 0 GFADLN Cn1cc(NC(=O)N[C@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)cc1C(=O)[O-] ZINC000833050748 602370619 /nfs/dbraw/zinc/37/06/19/602370619.db2.gz MEMGNXBZBXMMFE-LBPRGKRZSA-N 0 2 392.406 2.788 20 0 GFADLN Cn1cc(NC(=O)N[C@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)cc1C(=O)[O-] ZINC000833050748 602370622 /nfs/dbraw/zinc/37/06/22/602370622.db2.gz MEMGNXBZBXMMFE-LBPRGKRZSA-N 0 2 392.406 2.788 20 0 GFADLN O=C([O-])c1ccc(NC(=O)NCc2ccccc2C[NH+]2CCOCC2)cc1F ZINC000833146361 602382251 /nfs/dbraw/zinc/38/22/51/602382251.db2.gz AXLAITGKQZAJRX-UHFFFAOYSA-N 0 2 387.411 2.678 20 0 GFADLN CC(C)N(CCCNC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)C(=O)[O-] ZINC000738847267 602418479 /nfs/dbraw/zinc/41/84/79/602418479.db2.gz 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COC(=O)c1ccc(-c2nc(C[N@H+]3CC[C@H](N(C)C(=O)[O-])C3)cs2)cc1 ZINC000828767147 603847424 /nfs/dbraw/zinc/84/74/24/603847424.db2.gz USXFHGSLUMATQC-HNNXBMFYSA-N 0 2 375.450 2.781 20 0 GFADLN C[C@@H](C(=O)N1CCC([N@H+](C)CC(F)F)CC1)[C@H](NC(=O)[O-])c1ccccc1 ZINC000823660387 603857695 /nfs/dbraw/zinc/85/76/95/603857695.db2.gz ALTYOKCAHRVKCS-DYVFJYSZSA-N 0 2 383.439 2.819 20 0 GFADLN C[C@@H](C(=O)N1CCC([N@@H+](C)CC(F)F)CC1)[C@H](NC(=O)[O-])c1ccccc1 ZINC000823660387 603857699 /nfs/dbraw/zinc/85/76/99/603857699.db2.gz ALTYOKCAHRVKCS-DYVFJYSZSA-N 0 2 383.439 2.819 20 0 GFADLN COC[C@@H](C)n1c(C)cc(C(=O)C[N@@H+]2CC[C@H]3CC[C@@H](C2)N3C(=O)[O-])c1C ZINC000828905196 603983836 /nfs/dbraw/zinc/98/38/36/603983836.db2.gz ZQMYUTVKPJJRPQ-OIISXLGYSA-N 0 2 377.485 2.712 20 0 GFADLN COC[C@@H](C)n1c(C)cc(C(=O)C[N@H+]2CC[C@H]3CC[C@@H](C2)N3C(=O)[O-])c1C ZINC000828905196 603983839 /nfs/dbraw/zinc/98/38/39/603983839.db2.gz ZQMYUTVKPJJRPQ-OIISXLGYSA-N 0 2 377.485 2.712 20 0 GFADLN 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Cc1cc(NC(=O)N2CC[NH+](CCOc3ccccc3)CC2)ccc1C(=O)[O-] ZINC000738438199 600017800 /nfs/dbraw/zinc/01/78/00/600017800.db2.gz WIPBXYHRFBNOGE-UHFFFAOYSA-N 0 2 383.448 2.922 20 0 GFADLN O=C([O-])CSCc1cccc(NC(=O)NCCc2cn3c([nH+]2)CCCC3)c1 ZINC000739870254 600021996 /nfs/dbraw/zinc/02/19/96/600021996.db2.gz ASYAPIITPAPUAA-UHFFFAOYSA-N 0 2 388.493 2.901 20 0 GFADLN CCC[N@H+](Cn1nc(C(=O)[O-])c2c(C)onc2c1=O)[C@@H]1CCc2ccccc21 ZINC000737021245 600033681 /nfs/dbraw/zinc/03/36/81/600033681.db2.gz SYMGVMWBBDZXKW-OAHLLOKOSA-N 0 2 382.420 2.748 20 0 GFADLN CCC[N@@H+](Cn1nc(C(=O)[O-])c2c(C)onc2c1=O)[C@@H]1CCc2ccccc21 ZINC000737021245 600033684 /nfs/dbraw/zinc/03/36/84/600033684.db2.gz SYMGVMWBBDZXKW-OAHLLOKOSA-N 0 2 382.420 2.748 20 0 GFADLN Cc1cccc(NC[C@@H]2CCN(CC(=O)Nc3cc(C(=O)[O-])ccc3C)C2)[nH+]1 ZINC000738736017 600094279 /nfs/dbraw/zinc/09/42/79/600094279.db2.gz HELGEFFZICBKHJ-INIZCTEOSA-N 0 2 382.464 2.769 20 0 GFADLN COC(=O)c1cc(Cl)cc(Cl)c1NC(=O)C[N@@H+]1CCC[C@@H](C(=O)[O-])C1 ZINC000737654906 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PQPHXFVTKJDWBE-UHFFFAOYSA-N 0 2 381.388 2.899 20 0 GFADLN COc1ccc(OC)c(C[NH+]2CCN([C@H](C(=O)[O-])c3ccccc3F)CC2)c1 ZINC000832436415 600982734 /nfs/dbraw/zinc/98/27/34/600982734.db2.gz WWZGWNSSFGJDSQ-FQEVSTJZSA-N 0 2 388.439 2.786 20 0 GFADLN C[C@@H]1CCC[C@H](C)N1C(=O)C[NH2+][C@H](C(=O)[O-])c1ccc(Br)cc1 ZINC000828238906 600998779 /nfs/dbraw/zinc/99/87/79/600998779.db2.gz LIPPPKOGFQZUQJ-OZVIIMIRSA-N 0 2 383.286 2.954 20 0 GFADLN CC(C)c1nc(CN(C)[C@H]2CC[N@@H+]([C@H](C(=O)[O-])c3ccc(F)cc3)C2)no1 ZINC000827153154 601028054 /nfs/dbraw/zinc/02/80/54/601028054.db2.gz NVUPARDBQYBRDE-RDJZCZTQSA-N 0 2 376.432 2.664 20 0 GFADLN CC(C)c1nc(CN(C)[C@H]2CC[N@H+]([C@H](C(=O)[O-])c3ccc(F)cc3)C2)no1 ZINC000827153154 601028058 /nfs/dbraw/zinc/02/80/58/601028058.db2.gz NVUPARDBQYBRDE-RDJZCZTQSA-N 0 2 376.432 2.664 20 0 GFADLN O=C([O-])Nc1cc(NC(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)ccc1F ZINC000833282892 601038063 /nfs/dbraw/zinc/03/80/63/601038063.db2.gz LWSTWQQJGGMNLW-AWEZNQCLSA-N 0 2 380.420 2.634 20 0 GFADLN 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ZINC000737720901 602559817 /nfs/dbraw/zinc/55/98/17/602559817.db2.gz MKWOIZHYWWOVGQ-OAHLLOKOSA-N 0 2 390.484 2.686 20 0 GFADLN C[C@@H](c1cccc(NC(=O)NC[C@H]2CCCN(C(=O)[O-])C2)c1)[NH+]1CCOCC1 ZINC000739056198 602604146 /nfs/dbraw/zinc/60/41/46/602604146.db2.gz IPEFTPFMMRICBB-JKSUJKDBSA-N 0 2 390.484 2.591 20 0 GFADLN COc1c(C)c[nH+]c(CNC(=O)N[C@H](CNC(=O)[O-])C2CCCCC2)c1C ZINC000739848109 602624344 /nfs/dbraw/zinc/62/43/44/602624344.db2.gz CFKTUHLHQMZJAL-MRXNPFEDSA-N 0 2 378.473 2.723 20 0 GFADLN CCc1ccc(C[NH+]2CCN(C(=O)C3CCC(NC(=O)[O-])CC3)CC2)s1 ZINC000739542573 602847522 /nfs/dbraw/zinc/84/75/22/602847522.db2.gz PWLBVJLAJNYKNE-UHFFFAOYSA-N 0 2 379.526 2.781 20 0 GFADLN CCC(CC)[C@@H](C(=O)Nc1ccc2c(c1)CCN2C(=O)[O-])[NH+]1CCOCC1 ZINC000739254038 602881317 /nfs/dbraw/zinc/88/13/17/602881317.db2.gz VPABPNIIGUUMPI-SFHVURJKSA-N 0 2 375.469 2.803 20 0 GFADLN O=C([O-])NCCSc1nnc(C[NH+]2CCCCC2)n1-c1ccc(F)cc1 ZINC000740669422 603048464 /nfs/dbraw/zinc/04/84/64/603048464.db2.gz 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O=C([O-])[C@@]1(F)CCN(C(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)C1 ZINC000833091704 602047641 /nfs/dbraw/zinc/04/76/41/602047641.db2.gz DJHXPOKUHSVGCG-WMLDXEAASA-N 0 2 399.260 2.611 20 0 GFADLN C[C@H](NC(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000738973208 602138731 /nfs/dbraw/zinc/13/87/31/602138731.db2.gz AGRSHSPETDWKGU-ZFWWWQNUSA-N 0 2 389.431 2.589 20 0 GFADLN COc1c(C)c[nH+]c(CNC(=O)N2CCC[C@@H]([C@@H]3CCCN3C(=O)[O-])C2)c1C ZINC000739848268 602150598 /nfs/dbraw/zinc/15/05/98/602150598.db2.gz FHKHBQYNOIWMJK-WBVHZDCISA-N 0 2 390.484 2.771 20 0 GFADLN O=C([O-])NCCc1ccc(CNC(=O)NCc2ccccc2-n2cc[nH+]c2)cc1 ZINC000740672892 602186845 /nfs/dbraw/zinc/18/68/45/602186845.db2.gz ZYAITUYOZMUOFS-UHFFFAOYSA-N 0 2 393.447 2.682 20 0 GFADLN O=C([O-])N1CCC[C@@H](C(=O)Nc2nc3ccccc3n2CCCn2cc[nH+]c2)C1 ZINC000738513523 602295916 /nfs/dbraw/zinc/29/59/16/602295916.db2.gz AHCQFEQFJUXKLN-OAHLLOKOSA-N 0 2 396.451 2.652 20 0 GFADLN O=C([O-])[C@@H](c1ccc(Cl)cc1)N1CC[NH+](Cc2cnc3ccccn23)CC1 ZINC000833170455 602326877 /nfs/dbraw/zinc/32/68/77/602326877.db2.gz HIHBFLRGIZTPDD-LJQANCHMSA-N 0 2 384.867 2.931 20 0 GFADLN O=C([O-])CCCc1nc(C[N@H+]2CCCCC[C@H]2C[C@H](O)c2ccco2)no1 ZINC000833229327 602346468 /nfs/dbraw/zinc/34/64/68/602346468.db2.gz BDRRCZBVKNXULX-GJZGRUSLSA-N 0 2 377.441 2.938 20 0 GFADLN O=C([O-])CCCc1nc(C[N@@H+]2CCCCC[C@H]2C[C@H](O)c2ccco2)no1 ZINC000833229327 602346471 /nfs/dbraw/zinc/34/64/71/602346471.db2.gz BDRRCZBVKNXULX-GJZGRUSLSA-N 0 2 377.441 2.938 20 0 GFADLN CN(CC[NH+]1CCN(C(=O)[O-])CC1)C(=O)C(c1ccccc1)c1ccccc1 ZINC000739681602 602492113 /nfs/dbraw/zinc/49/21/13/602492113.db2.gz IKMLCLJNPXMELT-UHFFFAOYSA-N 0 2 381.476 2.573 20 0 GFADLN C[C@@H](c1cccc(NC(=O)CC2CCN(C(=O)[O-])CC2)c1)[NH+]1CCOCC1 ZINC000739057004 602505440 /nfs/dbraw/zinc/50/54/40/602505440.db2.gz KMZWGIZLVFPUJQ-HNNXBMFYSA-N 0 2 375.469 2.798 20 0 GFADLN C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N3CC[C@@H](CN(C)C(=O)[O-])C3)n2)C1 ZINC000739112025 602552232 /nfs/dbraw/zinc/55/22/32/602552232.db2.gz RAMQFXHVONJNDN-KBPBESRZSA-N 0 2 395.529 2.839 20 0 GFADLN C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CC[C@@H](CN(C)C(=O)[O-])C3)n2)C1 ZINC000739112025 602552234 /nfs/dbraw/zinc/55/22/34/602552234.db2.gz RAMQFXHVONJNDN-KBPBESRZSA-N 0 2 395.529 2.839 20 0 GFADLN CCCN(C(=O)NCc1ccc(-n2cc[nH+]c2)c(F)c1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000739353495 602623407 /nfs/dbraw/zinc/62/34/07/602623407.db2.gz SZGGUEBHDNZCAI-OAHLLOKOSA-N 0 2 389.431 2.685 20 0 GFADLN C[C@@H](NC(=O)[O-])C1CC[NH+](CC(=O)Nc2nc3ccc(F)cc3s2)CC1 ZINC000739020480 602718392 /nfs/dbraw/zinc/71/83/92/602718392.db2.gz AINSOORKMDXRBD-SNVBAGLBSA-N 0 2 380.445 2.742 20 0 GFADLN O=C([O-])N1CCC[C@H]1CC(=O)N[C@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000831329323 602908960 /nfs/dbraw/zinc/90/89/60/602908960.db2.gz XUMMBLUJJOWYCX-KBPBESRZSA-N 0 2 381.423 2.578 20 0 GFADLN O=C([O-])N1CCC[C@H]1CC(=O)N[C@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000831329323 602908964 /nfs/dbraw/zinc/90/89/64/602908964.db2.gz XUMMBLUJJOWYCX-KBPBESRZSA-N 0 2 381.423 2.578 20 0 GFADLN COc1ccc(COC(=O)c2cc(-c3ccc(C)o3)n[nH]2)cc1-c1nn[nH]n1 ZINC000826205725 607603029 /nfs/dbraw/zinc/60/30/29/607603029.db2.gz JHLXEPZFBKFFPH-UHFFFAOYSA-N 0 2 380.364 2.524 20 0 GFADLN CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)CC1CCN(C(=O)[O-])CC1 ZINC000827105070 603221575 /nfs/dbraw/zinc/22/15/75/603221575.db2.gz RYQFZNWFRWNPGE-UHFFFAOYSA-N 0 2 388.512 2.927 20 0 GFADLN CN(C[C@@H]1CCCN1C(=O)Nc1nc(C[NH+]2CCCCC2)cs1)C(=O)[O-] ZINC000828212483 603257767 /nfs/dbraw/zinc/25/77/67/603257767.db2.gz QPHCPCSYZBRGJA-AWEZNQCLSA-N 0 2 381.502 2.735 20 0 GFADLN C[C@H](c1cccc(NC(=O)N[C@H]2CCC[C@@H]2CNC(=O)[O-])c1)[NH+]1CCOCC1 ZINC000825629599 603312205 /nfs/dbraw/zinc/31/22/05/603312205.db2.gz FTCHMXUZTURXMQ-KYJSFNMBSA-N 0 2 390.484 2.638 20 0 GFADLN CCN(CC1CC[NH+](CC(=O)Nc2cc(Cl)ccc2OC)CC1)C(=O)[O-] ZINC000827093486 603508218 /nfs/dbraw/zinc/50/82/18/603508218.db2.gz PTTARVCBBGQEDJ-UHFFFAOYSA-N 0 2 383.876 2.999 20 0 GFADLN CCN(CC1CC[NH+](CC(=O)Nc2cc(C)nn2C(C)(C)C)CC1)C(=O)[O-] ZINC000827093659 603516055 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Cn1ncc(C(F)(F)F)c1S(=O)(=O)Nc1ccc2c(c1)CC(C)(C)O2 ZINC000634789726 566177212 /nfs/dbraw/zinc/17/72/12/566177212.db2.gz APENADVYLWCUSA-UHFFFAOYSA-N 0 2 375.372 2.953 20 0 GFADLN CC(C)O[C@@]1(CS(=O)(=O)Nc2cc(C(F)(F)F)ccc2O)CCOC1 ZINC000634789448 566177553 /nfs/dbraw/zinc/17/75/53/566177553.db2.gz ONSPPVMKMGOVFF-AWEZNQCLSA-N 0 2 383.388 2.737 20 0 GFADLN COc1ccsc1S(=O)(=O)Nc1ccc2c(c1)OCC(C)(C)C(=O)N2 ZINC000634798016 566179908 /nfs/dbraw/zinc/17/99/08/566179908.db2.gz GAXAGHHUJDYMLV-UHFFFAOYSA-N 0 2 382.463 2.915 20 0 GFADLN CCN(CC)c1ccc(NS(=O)(=O)c2ccc(-c3nn[nH]n3)cc2F)cc1 ZINC000736531959 598909399 /nfs/dbraw/zinc/90/93/99/598909399.db2.gz NMOSSECFLYCGQD-UHFFFAOYSA-N 0 2 390.444 2.653 20 0 GFADLN Cc1[nH]c(=O)c(-c2nn[nH]n2)c(C)c1CCC(=O)N1CCC[C@H](C(C)C)CC1 ZINC000737201458 598929137 /nfs/dbraw/zinc/92/91/37/598929137.db2.gz SJUBCGTUARALPU-HNNXBMFYSA-N 0 2 386.500 2.801 20 0 GFADLN Cc1[nH]c(=O)c(-c2nn[nH]n2)c(C)c1CCC(=O)N[C@@H]1CC[C@H]2CCC[C@H]2C1 ZINC000737201793 599226417 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Cc1ccc(CNC(=O)C[NH2+][C@@H](C(=O)[O-])c2ccc(Br)cc2)cc1 ZINC000738598518 599790781 /nfs/dbraw/zinc/79/07/81/599790781.db2.gz SFZOQCOJCQMNIR-QGZVFWFLSA-N 0 2 391.265 2.789 20 0 GFADLN O=C([O-])CCc1ccc(NC(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)cc1 ZINC000739762095 599830377 /nfs/dbraw/zinc/83/03/77/599830377.db2.gz ZBZYHZYBAKAGHE-FQEVSTJZSA-N 0 2 397.475 2.726 20 0 GFADLN O=C([O-])CCc1ccc(NC(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1 ZINC000739762095 599830378 /nfs/dbraw/zinc/83/03/78/599830378.db2.gz ZBZYHZYBAKAGHE-FQEVSTJZSA-N 0 2 397.475 2.726 20 0 GFADLN COc1ccc([C@H]([NH2+]CC(=O)N(C)[C@@H](C)c2ccccc2OC)C(=O)[O-])cc1 ZINC000737964495 599860341 /nfs/dbraw/zinc/86/03/41/599860341.db2.gz MWZODCXGFCUILS-XOBRGWDASA-N 0 2 386.448 2.639 20 0 GFADLN COc1ccc([C@H]([NH2+]CC(=O)N[C@@H](C)c2ccccc2Cl)C(=O)[O-])cc1 ZINC000737974878 599860480 /nfs/dbraw/zinc/86/04/80/599860480.db2.gz XFUBAGRYGSORQY-SGTLLEGYSA-N 0 2 376.840 2.941 20 0 GFADLN O=C([O-])c1ccc2c(c1)nc(C[N@@H+]1CCCO[C@H](c3ccccc3)C1)[nH]c2=O ZINC000740188264 599895114 /nfs/dbraw/zinc/89/51/14/599895114.db2.gz KAGNOJPQTABORP-SFHVURJKSA-N 0 2 379.416 2.997 20 0 GFADLN O=C([O-])c1ccc2c(c1)nc(C[N@H+]1CCCO[C@H](c3ccccc3)C1)[nH]c2=O ZINC000740188264 599895115 /nfs/dbraw/zinc/89/51/15/599895115.db2.gz KAGNOJPQTABORP-SFHVURJKSA-N 0 2 379.416 2.997 20 0 GFADLN Cc1sc(NC(=O)CN2CCc3c([nH+]c(C(C)C)n3C)C2)c(C(=O)[O-])c1C ZINC000738399697 600001332 /nfs/dbraw/zinc/00/13/32/600001332.db2.gz WEIRJKSCTLZKOP-UHFFFAOYSA-N 0 2 390.509 2.917 20 0 GFADLN O=C([O-])c1ccc2c(c1)CN(C(=O)NCc1ccccc1Cn1cc[nH+]c1)C2 ZINC000740199068 600014085 /nfs/dbraw/zinc/01/40/85/600014085.db2.gz FJCDTFRCUXNWEK-UHFFFAOYSA-N 0 2 376.416 2.855 20 0 GFADLN CCC(C)(C)NC(=O)[C@H](C)[NH+]1CCN([C@@H](C(=O)[O-])c2ccc(Cl)cc2)CC1 ZINC000736859112 600079926 /nfs/dbraw/zinc/07/99/26/600079926.db2.gz MBFOXCYHTXXJCH-WMLDXEAASA-N 0 2 395.931 2.777 20 0 GFADLN COC(=O)c1cc(NC(=O)C[N@@H+]2CCc3sccc3[C@H]2C)cc(C(=O)[O-])c1 ZINC000737667555 600106441 /nfs/dbraw/zinc/10/64/41/600106441.db2.gz RXERIKVYMQDNEO-LLVKDONJSA-N 0 2 388.445 2.791 20 0 GFADLN COC(=O)c1cc(NC(=O)C[N@H+]2CCc3sccc3[C@H]2C)cc(C(=O)[O-])c1 ZINC000737667555 600106443 /nfs/dbraw/zinc/10/64/43/600106443.db2.gz RXERIKVYMQDNEO-LLVKDONJSA-N 0 2 388.445 2.791 20 0 GFADLN Cc1c(NC(=O)N[C@H](Cc2ccccc2)C[NH+]2CCOCC2)cccc1C(=O)[O-] ZINC000738304779 600380190 /nfs/dbraw/zinc/38/01/90/600380190.db2.gz URJQNKIKLHEDAR-GOSISDBHSA-N 0 2 397.475 2.758 20 0 GFADLN O=C([O-])c1cc(NC(=O)N2CC[NH+](CCOc3ccccc3)CC2)ccc1F ZINC000740090875 600387101 /nfs/dbraw/zinc/38/71/01/600387101.db2.gz XGGKUYCARZDWSE-UHFFFAOYSA-N 0 2 387.411 2.752 20 0 GFADLN CC[C@H](C(=O)[O-])N(C(=O)C1CC[NH+](Cc2nccn2C)CC1)c1ccccc1 ZINC000736845416 600388201 /nfs/dbraw/zinc/38/82/01/600388201.db2.gz BYWBZGCJLWNYSN-GOSISDBHSA-N 0 2 384.480 2.529 20 0 GFADLN CCc1ccc(C[NH+]2CCN(C(=O)NC3CCC(C(=O)[O-])CC3)CC2)s1 ZINC000414621344 600495625 /nfs/dbraw/zinc/49/56/25/600495625.db2.gz FDWUERHJCGQCAF-UHFFFAOYSA-N 0 2 379.526 2.781 20 0 GFADLN Cc1onc2c1c(C(=O)[O-])nn(C[N@@H+](C)[C@H](c1ccccc1C)C(C)C)c2=O ZINC000738757062 600498379 /nfs/dbraw/zinc/49/83/79/600498379.db2.gz USCCDRQRVGFARE-SFHVURJKSA-N 0 2 384.436 2.986 20 0 GFADLN Cc1onc2c1c(C(=O)[O-])nn(C[N@H+](C)[C@H](c1ccccc1C)C(C)C)c2=O ZINC000738757062 600498381 /nfs/dbraw/zinc/49/83/81/600498381.db2.gz USCCDRQRVGFARE-SFHVURJKSA-N 0 2 384.436 2.986 20 0 GFADLN CC[NH+](CC)Cc1nc(C2(NC(=O)[C@@H]3CCC[C@@H](C(=O)[O-])C3)CCCC2)no1 ZINC000737088172 600661243 /nfs/dbraw/zinc/66/12/43/600661243.db2.gz NSFULWLZKRJVHE-HUUCEWRRSA-N 0 2 392.500 2.688 20 0 GFADLN Cc1ccc(S(=O)(=O)N[C@@H](Cc2[nH+]ccn2C)c2ccccc2)cc1C(=O)[O-] ZINC000832955266 600789726 /nfs/dbraw/zinc/78/97/26/600789726.db2.gz VKONLEPJDCWYES-SFHVURJKSA-N 0 2 399.472 2.689 20 0 GFADLN Cc1ccc(C(=O)[O-])cc1S(=O)(=O)N[C@H](C)c1cccc(-n2cc[nH+]c2)c1 ZINC000185100571 600795728 /nfs/dbraw/zinc/79/57/28/600795728.db2.gz ROSUJTKAMNKCAM-CQSZACIVSA-N 0 2 385.445 2.918 20 0 GFADLN Cc1cc(S(=O)(=O)N[C@@H](C)c2cccc(-n3cc[nH+]c3)c2)ccc1C(=O)[O-] ZINC000505800645 600796257 /nfs/dbraw/zinc/79/62/57/600796257.db2.gz DHKGNIHLXQVZBQ-AWEZNQCLSA-N 0 2 385.445 2.918 20 0 GFADLN O=C([O-])c1ccc(OCCN2CC[NH+](Cc3ccccn3)CC2)c(Cl)c1 ZINC000833321321 600816635 /nfs/dbraw/zinc/81/66/35/600816635.db2.gz RQUYOORWBSAYBM-UHFFFAOYSA-N 0 2 375.856 2.630 20 0 GFADLN Cc1[nH]c(C(=O)N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)c(C)c1C(=O)[O-] ZINC000832891360 600929651 /nfs/dbraw/zinc/92/96/51/600929651.db2.gz RNOPOUFJCATDFM-UHFFFAOYSA-N 0 2 385.468 2.514 20 0 GFADLN Cn1cc[nH+]c1C[C@@H](NC(=O)Nc1ccc(OCC(=O)[O-])cc1)c1ccccc1 ZINC000833058697 601005992 /nfs/dbraw/zinc/00/59/92/601005992.db2.gz RSNJLENLJUIVFK-GOSISDBHSA-N 0 2 394.431 2.989 20 0 GFADLN COc1ccc(C[N@H+](C)CC(=O)Nc2sc3c(c2C(=O)[O-])CCC3)cc1O ZINC000832310764 601010203 /nfs/dbraw/zinc/01/02/03/601010203.db2.gz GMBCPLGBCYMVFR-UHFFFAOYSA-N 0 2 390.461 2.720 20 0 GFADLN COc1ccc(C[N@@H+](C)CC(=O)Nc2sc3c(c2C(=O)[O-])CCC3)cc1O ZINC000832310764 601010204 /nfs/dbraw/zinc/01/02/04/601010204.db2.gz GMBCPLGBCYMVFR-UHFFFAOYSA-N 0 2 390.461 2.720 20 0 GFADLN O=C([O-])C[C@H]1CSCC[N@@H+]1CC(=O)Nc1ccccc1SC(F)F ZINC000833221291 601021121 /nfs/dbraw/zinc/02/11/21/601021121.db2.gz HGRYLHFQJYDSEM-JTQLQIEISA-N 0 2 376.450 2.832 20 0 GFADLN O=C([O-])C[C@H]1CSCC[N@H+]1CC(=O)Nc1ccccc1SC(F)F ZINC000833221291 601021124 /nfs/dbraw/zinc/02/11/24/601021124.db2.gz HGRYLHFQJYDSEM-JTQLQIEISA-N 0 2 376.450 2.832 20 0 GFADLN CN(C[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccccc1C(=O)[O-])C(=O)OC(C)(C)C ZINC000830717403 601038903 /nfs/dbraw/zinc/03/89/03/601038903.db2.gz AQYBODPNXLGLJS-AWEZNQCLSA-N 0 2 391.468 2.655 20 0 GFADLN CN(C[C@@H]1CCC[N@H+]1CC(=O)Nc1ccccc1C(=O)[O-])C(=O)OC(C)(C)C ZINC000830717403 601038907 /nfs/dbraw/zinc/03/89/07/601038907.db2.gz AQYBODPNXLGLJS-AWEZNQCLSA-N 0 2 391.468 2.655 20 0 GFADLN CC(C)C[C@H](CNC(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1)C(=O)[O-] ZINC000424381246 601045460 /nfs/dbraw/zinc/04/54/60/601045460.db2.gz MHSGEAWNMOLWKI-NVXWUHKLSA-N 0 2 377.485 2.948 20 0 GFADLN CN(Cc1ccnc(-c2nn[nH]n2)c1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000825986337 607488669 /nfs/dbraw/zinc/48/86/69/607488669.db2.gz ZDVXWFJGMAMCRA-JKSUJKDBSA-N 0 2 391.262 2.659 20 0 GFADLN C[N@H+](Cn1nc(C(=O)[O-])c2ccccc21)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000830883867 601400384 /nfs/dbraw/zinc/40/03/84/601400384.db2.gz VCMREJLGZPIPQQ-GOSISDBHSA-N 0 2 378.432 2.819 20 0 GFADLN C[N@@H+](Cn1nc(C(=O)[O-])c2ccccc21)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000830883867 601400386 /nfs/dbraw/zinc/40/03/86/601400386.db2.gz VCMREJLGZPIPQQ-GOSISDBHSA-N 0 2 378.432 2.819 20 0 GFADLN C[C@H]1C[N@H+](Cc2noc(Cc3ccc(Br)cc3)n2)C[C@@H]1C(=O)[O-] ZINC000828461771 601552522 /nfs/dbraw/zinc/55/25/22/601552522.db2.gz CJMBWMXWVLWTAT-GWCFXTLKSA-N 0 2 380.242 2.575 20 0 GFADLN C[C@H]1C[N@@H+](Cc2noc(Cc3ccc(Br)cc3)n2)C[C@@H]1C(=O)[O-] ZINC000828461771 601552523 /nfs/dbraw/zinc/55/25/23/601552523.db2.gz CJMBWMXWVLWTAT-GWCFXTLKSA-N 0 2 380.242 2.575 20 0 GFADLN O=C([O-])[C@]1(F)CC[N@H+](CC(=O)N2CCc3sccc3[C@@H]2c2ccccc2)C1 ZINC000833106943 601556525 /nfs/dbraw/zinc/55/65/25/601556525.db2.gz RMWMOTHLZPLQJZ-ICSRJNTNSA-N 0 2 388.464 2.721 20 0 GFADLN O=C([O-])[C@]1(F)CC[N@@H+](CC(=O)N2CCc3sccc3[C@@H]2c2ccccc2)C1 ZINC000833106943 601556527 /nfs/dbraw/zinc/55/65/27/601556527.db2.gz RMWMOTHLZPLQJZ-ICSRJNTNSA-N 0 2 388.464 2.721 20 0 GFADLN Cc1cc(C(=O)C[N@@H+]2CCC[C@@H]2C(=O)[O-])c(C)n1C[C@H]1COc2ccccc2O1 ZINC000832858991 601592807 /nfs/dbraw/zinc/59/28/07/601592807.db2.gz MYFUYCNIYNFRKM-FUHWJXTLSA-N 0 2 398.459 2.677 20 0 GFADLN Cc1cc(C(=O)C[N@H+]2CCC[C@@H]2C(=O)[O-])c(C)n1C[C@H]1COc2ccccc2O1 ZINC000832858991 601592809 /nfs/dbraw/zinc/59/28/09/601592809.db2.gz MYFUYCNIYNFRKM-FUHWJXTLSA-N 0 2 398.459 2.677 20 0 GFADLN CC[N@H+](CC(=O)[O-])CC(=O)c1cc(C)n(C[C@@H]2COc3ccccc3O2)c1C ZINC000829628647 601593710 /nfs/dbraw/zinc/59/37/10/601593710.db2.gz QNUSQQHSHIHWHU-MRXNPFEDSA-N 0 2 386.448 2.534 20 0 GFADLN CC[N@@H+](CC(=O)[O-])CC(=O)c1cc(C)n(C[C@@H]2COc3ccccc3O2)c1C ZINC000829628647 601593711 /nfs/dbraw/zinc/59/37/11/601593711.db2.gz QNUSQQHSHIHWHU-MRXNPFEDSA-N 0 2 386.448 2.534 20 0 GFADLN COc1ccc2c(C)cc3nn(C[N@@H+]4C[C@@H](C)[C@H](C(=O)[O-])C4)c(=S)n3c2c1 ZINC000832486949 601813268 /nfs/dbraw/zinc/81/32/68/601813268.db2.gz GGJALMHPEMDRTI-IUODEOHRSA-N 0 2 386.477 2.946 20 0 GFADLN COc1ccc2c(C)cc3nn(C[N@H+]4C[C@@H](C)[C@H](C(=O)[O-])C4)c(=S)n3c2c1 ZINC000832486949 601813269 /nfs/dbraw/zinc/81/32/69/601813269.db2.gz GGJALMHPEMDRTI-IUODEOHRSA-N 0 2 386.477 2.946 20 0 GFADLN C[C@H]1C[N@H+](Cn2[nH]c(-c3ccc(Br)cc3)nc2=S)C[C@H]1C(=O)[O-] ZINC000828463075 601820269 /nfs/dbraw/zinc/82/02/69/601820269.db2.gz OHMZVEWCEPFMHK-JOYOIKCWSA-N 0 2 397.298 2.980 20 0 GFADLN C[C@H]1C[N@@H+](Cn2[nH]c(-c3ccc(Br)cc3)nc2=S)C[C@H]1C(=O)[O-] ZINC000828463075 601820271 /nfs/dbraw/zinc/82/02/71/601820271.db2.gz OHMZVEWCEPFMHK-JOYOIKCWSA-N 0 2 397.298 2.980 20 0 GFADLN COC(=O)c1c2c(sc1NC(=O)C[NH+]1CCC(CCC(=O)[O-])CC1)CCC2 ZINC000831230636 601845758 /nfs/dbraw/zinc/84/57/58/601845758.db2.gz GHSBOAVLTVJSLT-UHFFFAOYSA-N 0 2 394.493 2.539 20 0 GFADLN CCC[C@@H]1C[N@H+](Cc2cc(C(=O)[O-])co2)CCN1Cc1cc(C(=O)OC)co1 ZINC000829266206 601869218 /nfs/dbraw/zinc/86/92/18/601869218.db2.gz HCMFOCUWQOZACO-MRXNPFEDSA-N 0 2 390.436 2.844 20 0 GFADLN CCC[C@@H]1C[N@@H+](Cc2cc(C(=O)[O-])co2)CCN1Cc1cc(C(=O)OC)co1 ZINC000829266206 601869220 /nfs/dbraw/zinc/86/92/20/601869220.db2.gz HCMFOCUWQOZACO-MRXNPFEDSA-N 0 2 390.436 2.844 20 0 GFADLN C[C@H]1C[N@H+](CN2C(=O)CN(c3cccc(C(=O)[O-])c3)C2=O)[C@H]1c1ccccc1 ZINC000828448983 601881659 /nfs/dbraw/zinc/88/16/59/601881659.db2.gz HVGBDKQZMIPVKB-IFXJQAMLSA-N 0 2 379.416 2.804 20 0 GFADLN C[C@H]1C[N@@H+](CN2C(=O)CN(c3cccc(C(=O)[O-])c3)C2=O)[C@H]1c1ccccc1 ZINC000828448983 601881660 /nfs/dbraw/zinc/88/16/60/601881660.db2.gz HVGBDKQZMIPVKB-IFXJQAMLSA-N 0 2 379.416 2.804 20 0 GFADLN O=C([O-])C[C@H]1CSCC[N@@H+]1CC(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000833221309 601888311 /nfs/dbraw/zinc/88/83/11/601888311.db2.gz IKIADVBCZZURIP-JTQLQIEISA-N 0 2 394.827 2.772 20 0 GFADLN O=C([O-])C[C@H]1CSCC[N@H+]1CC(=O)Nc1ccc(OC(F)F)c(Cl)c1 ZINC000833221309 601888312 /nfs/dbraw/zinc/88/83/12/601888312.db2.gz IKIADVBCZZURIP-JTQLQIEISA-N 0 2 394.827 2.772 20 0 GFADLN CC(=O)c1c(C)[nH]c(C(=O)C[N@@H+]2CCC[C@H]([C@H]3CCCN3C(=O)[O-])C2)c1C ZINC000738585806 601929942 /nfs/dbraw/zinc/92/99/42/601929942.db2.gz NDFNGMOAWBKPIN-JKSUJKDBSA-N 0 2 375.469 2.871 20 0 GFADLN CC(=O)c1c(C)[nH]c(C(=O)C[N@H+]2CCC[C@H]([C@H]3CCCN3C(=O)[O-])C2)c1C ZINC000738585806 601929946 /nfs/dbraw/zinc/92/99/46/601929946.db2.gz NDFNGMOAWBKPIN-JKSUJKDBSA-N 0 2 375.469 2.871 20 0 GFADLN COc1c(C)c[nH+]c(CN(C)C(=O)[C@@H]2C[C@H]3CCCC[C@H]3N2C(=O)[O-])c1C ZINC000739846621 601931832 /nfs/dbraw/zinc/93/18/32/601931832.db2.gz UUNWYBBIXGRDEM-OIISXLGYSA-N 0 2 375.469 2.977 20 0 GFADLN O=C([O-])c1ccc(C[NH+]2CCN(C(=O)Cc3ccccc3Cl)CC2)s1 ZINC000833313629 601945897 /nfs/dbraw/zinc/94/58/97/601945897.db2.gz CCMQNCVDAGBCAS-UHFFFAOYSA-N 0 2 378.881 2.987 20 0 GFADLN Cc1cccc(Cc2cnc(NC(=O)C[N@@H+]3CC[C@@H](CNC(=O)[O-])C3)s2)c1 ZINC000740165788 601946236 /nfs/dbraw/zinc/94/62/36/601946236.db2.gz DFSUSVFFCRAPLH-HNNXBMFYSA-N 0 2 388.493 2.570 20 0 GFADLN Cc1cccc(Cc2cnc(NC(=O)C[N@H+]3CC[C@@H](CNC(=O)[O-])C3)s2)c1 ZINC000740165788 601946240 /nfs/dbraw/zinc/94/62/40/601946240.db2.gz DFSUSVFFCRAPLH-HNNXBMFYSA-N 0 2 388.493 2.570 20 0 GFADLN CC(C)(CNC(=O)c1cc(NC(=O)[O-])cc(C(F)(F)F)c1)[NH+]1CCOCC1 ZINC000826596072 601955198 /nfs/dbraw/zinc/95/51/98/601955198.db2.gz KJMKUYOTQTYLFQ-UHFFFAOYSA-N 0 2 389.374 2.636 20 0 GFADLN O=C([O-])N[C@@H]1CC[N@H+](CC(=O)N[C@@H](c2ccccc2)c2ccc(Cl)cc2)C1 ZINC000740593304 602428816 /nfs/dbraw/zinc/42/88/16/602428816.db2.gz FPKSTZIMBSJIBC-MJGOQNOKSA-N 0 2 387.867 2.888 20 0 GFADLN O=C([O-])N[C@@H]1CC[N@@H+](CC(=O)N[C@@H](c2ccccc2)c2ccc(Cl)cc2)C1 ZINC000740593304 602428817 /nfs/dbraw/zinc/42/88/17/602428817.db2.gz FPKSTZIMBSJIBC-MJGOQNOKSA-N 0 2 387.867 2.888 20 0 GFADLN C[C@H](NC(=O)[O-])C1CC[NH+](Cc2nc(COc3ccc(F)cc3)no2)CC1 ZINC000739014784 602448066 /nfs/dbraw/zinc/44/80/66/602448066.db2.gz KIZRTUQAWSKSSZ-LBPRGKRZSA-N 0 2 378.404 2.656 20 0 GFADLN CN(CC[NH+]1CCN(C(=O)[O-])CC1)C(=O)c1ccc(COc2ccccc2)cc1 ZINC000739689204 602492341 /nfs/dbraw/zinc/49/23/41/602492341.db2.gz WVQHGXCWYFDMIY-UHFFFAOYSA-N 0 2 397.475 2.633 20 0 GFADLN Cc1ccccc1CNC(=O)[C@H](Cc1cn(Cc2ccccc2)c[nH+]1)NC(=O)[O-] ZINC000740185973 602493231 /nfs/dbraw/zinc/49/32/31/602493231.db2.gz XYOACLVJDNQVLC-FQEVSTJZSA-N 0 2 392.459 2.735 20 0 GFADLN CCCCc1ccc(N2C(=O)C[C@H]([NH+]3CCC(N(C)C(=O)[O-])CC3)C2=O)cc1 ZINC000739341458 602539733 /nfs/dbraw/zinc/53/97/33/602539733.db2.gz MBAHPPZBWXBNFN-SFHVURJKSA-N 0 2 387.480 2.735 20 0 GFADLN O=C([O-])N1CCCc2cc(NC(=O)N3CCN(c4cccc[nH+]4)CC3)ccc21 ZINC000740465444 602606589 /nfs/dbraw/zinc/60/65/89/602606589.db2.gz POUJIFXLRZOQOP-UHFFFAOYSA-N 0 2 381.436 2.866 20 0 GFADLN CN(C[C@@H]1CCC[N@H+](CC(=O)Nc2nc3ccc(F)cc3s2)C1)C(=O)[O-] ZINC000739636909 602718496 /nfs/dbraw/zinc/71/84/96/602718496.db2.gz MSJVMAFEPYRYMX-NSHDSACASA-N 0 2 380.445 2.696 20 0 GFADLN CN(C[C@@H]1CCC[N@@H+](CC(=O)Nc2nc3ccc(F)cc3s2)C1)C(=O)[O-] ZINC000739636909 602718497 /nfs/dbraw/zinc/71/84/97/602718497.db2.gz MSJVMAFEPYRYMX-NSHDSACASA-N 0 2 380.445 2.696 20 0 GFADLN CCOC(=O)Nc1ccc2c(C[N@@H+]3CCN(C(=O)[O-])C[C@H]3C)cc(=O)oc2c1 ZINC000739476451 602740264 /nfs/dbraw/zinc/74/02/64/602740264.db2.gz UOHBVMXDKUXTJR-GFCCVEGCSA-N 0 2 389.408 2.546 20 0 GFADLN CCOC(=O)Nc1ccc2c(C[N@H+]3CCN(C(=O)[O-])C[C@H]3C)cc(=O)oc2c1 ZINC000739476451 602740265 /nfs/dbraw/zinc/74/02/65/602740265.db2.gz UOHBVMXDKUXTJR-GFCCVEGCSA-N 0 2 389.408 2.546 20 0 GFADLN C[C@H](CC(=O)NCC[NH+]1CCN(C(=O)[O-])CC1)c1cccc(C(F)(F)F)c1 ZINC000738889732 602823696 /nfs/dbraw/zinc/82/36/96/602823696.db2.gz FYVHQVVNWJIHIX-CYBMUJFWSA-N 0 2 387.402 2.611 20 0 GFADLN COc1cccc([C@H](C)[NH+]2CCN(C(=O)c3ccc(CNC(=O)[O-])o3)CC2)c1 ZINC000829544456 602853571 /nfs/dbraw/zinc/85/35/71/602853571.db2.gz WBAOVCBNDAKFAP-AWEZNQCLSA-N 0 2 387.436 2.575 20 0 GFADLN O=C([O-])N1CCC[C@H]1CC(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000831329324 602908914 /nfs/dbraw/zinc/90/89/14/602908914.db2.gz XUMMBLUJJOWYCX-KGLIPLIRSA-N 0 2 381.423 2.578 20 0 GFADLN O=C([O-])N1CCC[C@H]1CC(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000831329324 602908916 /nfs/dbraw/zinc/90/89/16/602908916.db2.gz XUMMBLUJJOWYCX-KGLIPLIRSA-N 0 2 381.423 2.578 20 0 GFADLN C[C@@H](c1cccc(NC(=O)NC2CCC(NC(=O)[O-])CC2)c1)[NH+]1CCOCC1 ZINC000739055108 603138610 /nfs/dbraw/zinc/13/86/10/603138610.db2.gz DCWCZVHEHFMODK-OOHWJJMZSA-N 0 2 390.484 2.780 20 0 GFADLN Cc1ccc(C(=O)N2CC[NH+](CCOc3ccccc3)CC2)cc1NC(=O)[O-] ZINC000830199222 603239083 /nfs/dbraw/zinc/23/90/83/603239083.db2.gz VZCUNLLXPGLUKR-UHFFFAOYSA-N 0 2 383.448 2.922 20 0 GFADLN O=C([O-])NC[C@@H]1CCC[C@H]1NC(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000832480954 603258479 /nfs/dbraw/zinc/25/84/79/603258479.db2.gz CFRZBKAVIOLNPB-GXTWGEPZSA-N 0 2 381.502 2.687 20 0 GFADLN O=C([O-])N[C@H](C(=O)NCCc1cn2c([nH+]1)CCCC2)c1cccc(Cl)c1 ZINC000740530933 603275022 /nfs/dbraw/zinc/27/50/22/603275022.db2.gz ANLUDQUNBDBZTH-INIZCTEOSA-N 0 2 376.844 2.540 20 0 GFADLN C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)c2ccc(CNC(=O)[O-])o2)C[C@H](C)O1 ZINC000826067895 603351953 /nfs/dbraw/zinc/35/19/53/603351953.db2.gz MCLOAYRCWNEDPQ-OKILXGFUSA-N 0 2 387.436 2.909 20 0 GFADLN C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)c2ccc(CNC(=O)[O-])o2)C[C@H](C)O1 ZINC000826067895 603351959 /nfs/dbraw/zinc/35/19/59/603351959.db2.gz MCLOAYRCWNEDPQ-OKILXGFUSA-N 0 2 387.436 2.909 20 0 GFADLN C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N(C)[C@H]3CCN(C(=O)[O-])C3)n2)C1 ZINC000825930898 603580861 /nfs/dbraw/zinc/58/08/61/603580861.db2.gz CGWBATQNDMNRPF-JSGCOSHPSA-N 0 2 381.502 2.591 20 0 GFADLN C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N(C)[C@H]3CCN(C(=O)[O-])C3)n2)C1 ZINC000825930898 603580865 /nfs/dbraw/zinc/58/08/65/603580865.db2.gz CGWBATQNDMNRPF-JSGCOSHPSA-N 0 2 381.502 2.591 20 0 GFADLN Cc1cccn2cc(CCNC(=O)[C@H](NC(=O)[O-])c3cccc(Cl)c3)[nH+]c12 ZINC000830590826 603970857 /nfs/dbraw/zinc/97/08/57/603970857.db2.gz IXZGOBNEWJRNRC-MRXNPFEDSA-N 0 2 386.839 2.964 20 0 GFADLN Cc1ccc([C@H](NC(=O)C[N@@H+]2CCC[C@@H]2CNC(=O)[O-])c2cccs2)cc1 ZINC000830262230 604076742 /nfs/dbraw/zinc/07/67/42/604076742.db2.gz KIMJFZFROUTTER-APWZRJJASA-N 0 2 387.505 2.994 20 0 GFADLN Cc1ccc([C@H](NC(=O)C[N@H+]2CCC[C@@H]2CNC(=O)[O-])c2cccs2)cc1 ZINC000830262230 604076744 /nfs/dbraw/zinc/07/67/44/604076744.db2.gz KIMJFZFROUTTER-APWZRJJASA-N 0 2 387.505 2.994 20 0 GFADLN COc1cccc(OCC[NH+]2CCN(C(=O)c3ccc(NC(=O)[O-])cc3)CC2)c1 ZINC000832572656 604286597 /nfs/dbraw/zinc/28/65/97/604286597.db2.gz HNIAEPVSNUCOBC-UHFFFAOYSA-N 0 2 399.447 2.622 20 0 GFADLN C[C@H](NC(=O)[O-])c1ccc(CNc2nc(NCCO)c3ccccc3[nH+]2)cc1 ZINC000825401323 604347847 /nfs/dbraw/zinc/34/78/47/604347847.db2.gz CBVYGXXCSBRSEN-ZDUSSCGKSA-N 0 2 381.436 2.975 20 0 GFADLN C[N@@H+]1CC[C@H](NC(=O)c2ccc(C(=O)[O-])cn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000647739550 604529196 /nfs/dbraw/zinc/52/91/96/604529196.db2.gz GCJUODJAMOICKB-HOCLYGCPSA-N 0 2 377.803 2.748 20 0 GFADLN C[N@H+]1CC[C@H](NC(=O)c2ccc(C(=O)[O-])cn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000647739550 604529201 /nfs/dbraw/zinc/52/92/01/604529201.db2.gz GCJUODJAMOICKB-HOCLYGCPSA-N 0 2 377.803 2.748 20 0 GFADLN Cn1cc[nH+]c1[C@@H]1CCN(S(=O)(=O)c2c3ccccc3sc2C(=O)[O-])C1 ZINC000833760608 604568666 /nfs/dbraw/zinc/56/86/66/604568666.db2.gz QQDKHNKONODEME-LLVKDONJSA-N 0 2 391.474 2.511 20 0 GFADLN C[C@@H](Oc1ccc(C[N@@H+]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)cc1)C(=O)[O-] ZINC000833538009 604639286 /nfs/dbraw/zinc/63/92/86/604639286.db2.gz AZABYAVOYYFJOO-HUUCEWRRSA-N 0 2 378.469 2.980 20 0 GFADLN C[C@@H](Oc1ccc(C[N@H+]2CCN(C(=O)OC(C)(C)C)[C@H](C)C2)cc1)C(=O)[O-] ZINC000833538009 604639288 /nfs/dbraw/zinc/63/92/88/604639288.db2.gz AZABYAVOYYFJOO-HUUCEWRRSA-N 0 2 378.469 2.980 20 0 GFADLN Cc1c(C(=O)[O-])sc2[nH]c(C[N@@H+](C)[C@H](C)[C@H]3Cc4ccccc4O3)nc(=O)c12 ZINC000833741496 604962776 /nfs/dbraw/zinc/96/27/76/604962776.db2.gz PIGLTXRDVMVPOD-BXUZGUMPSA-N 0 2 399.472 2.815 20 0 GFADLN Cc1c(C(=O)[O-])sc2[nH]c(C[N@H+](C)[C@H](C)[C@H]3Cc4ccccc4O3)nc(=O)c12 ZINC000833741496 604962779 /nfs/dbraw/zinc/96/27/79/604962779.db2.gz PIGLTXRDVMVPOD-BXUZGUMPSA-N 0 2 399.472 2.815 20 0 GFADLN C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@@H+]1CC(=O)Nc1ccsc1C(=O)[O-] ZINC000833600931 604970281 /nfs/dbraw/zinc/97/02/81/604970281.db2.gz OYAIGWAYASZCSA-VXGBXAGGSA-N 0 2 397.497 2.762 20 0 GFADLN C[C@@H]1C[C@H](NC(=O)OC(C)(C)C)CC[N@H+]1CC(=O)Nc1ccsc1C(=O)[O-] ZINC000833600931 604970283 /nfs/dbraw/zinc/97/02/83/604970283.db2.gz OYAIGWAYASZCSA-VXGBXAGGSA-N 0 2 397.497 2.762 20 0 GFADLN C[N@@H+]1CC[C@H](NC(=O)c2cncc(C(=O)[O-])c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000833697661 605033148 /nfs/dbraw/zinc/03/31/48/605033148.db2.gz IHFRIUNJTZIOFS-JKSUJKDBSA-N 0 2 377.803 2.748 20 0 GFADLN C[N@H+]1CC[C@H](NC(=O)c2cncc(C(=O)[O-])c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000833697661 605033151 /nfs/dbraw/zinc/03/31/51/605033151.db2.gz IHFRIUNJTZIOFS-JKSUJKDBSA-N 0 2 377.803 2.748 20 0 GFADLN CC[C@H]1CN(C(=O)NCc2ccccc2Cn2cc[nH+]c2)CC[C@@H]1NC(=O)[O-] ZINC000833850666 605308638 /nfs/dbraw/zinc/30/86/38/605308638.db2.gz YQRPMXAAIICYEN-YJBOKZPZSA-N 0 2 385.468 2.509 20 0 GFADLN O=C([O-])N[C@@H]1CCC[C@@H]2C[N@H+](Cn3nc(-c4ccncc4)oc3=S)C[C@@H]21 ZINC000834180331 605328152 /nfs/dbraw/zinc/32/81/52/605328152.db2.gz KBDSIWWLOLLLFL-HZSPNIEDSA-N 0 2 375.454 2.593 20 0 GFADLN O=C([O-])N[C@@H]1CCC[C@@H]2C[N@@H+](Cn3nc(-c4ccncc4)oc3=S)C[C@@H]21 ZINC000834180331 605328154 /nfs/dbraw/zinc/32/81/54/605328154.db2.gz KBDSIWWLOLLLFL-HZSPNIEDSA-N 0 2 375.454 2.593 20 0 GFADLN O=C([O-])NCc1ccc2c(c1)CCCN2C(=O)c1cc(-n2cc[nH+]c2)ccn1 ZINC000834246793 605540374 /nfs/dbraw/zinc/54/03/74/605540374.db2.gz DGTTXVQETLTHFI-UHFFFAOYSA-N 0 2 377.404 2.628 20 0 GFADLN CN(C)c1nc(C[NH2+][C@H]2C[C@]3(CCN(C(=O)[O-])C3)Oc3ccccc32)cs1 ZINC000833871758 605638306 /nfs/dbraw/zinc/63/83/06/605638306.db2.gz 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/nfs/dbraw/zinc/11/59/16/600115916.db2.gz STDXMYTWTZSQPP-UQPPLGOBSA-N 0 2 375.469 2.845 20 0 GFADLN C[C@H](C[NH+]1CCN(S(=O)(=O)c2cc(C(=O)[O-])cs2)CC1)c1ccccc1 ZINC000736583762 600260751 /nfs/dbraw/zinc/26/07/51/600260751.db2.gz BNRLNZUZFKOWGI-CQSZACIVSA-N 0 2 394.518 2.556 20 0 GFADLN O=C([O-])c1cccc(C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)n1 ZINC000740214366 600272197 /nfs/dbraw/zinc/27/21/97/600272197.db2.gz IJBMNLSHNHSQHW-CQSZACIVSA-N 0 2 391.830 2.967 20 0 GFADLN O=C([O-])c1cccc(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)n1 ZINC000740214366 600272198 /nfs/dbraw/zinc/27/21/98/600272198.db2.gz IJBMNLSHNHSQHW-CQSZACIVSA-N 0 2 391.830 2.967 20 0 GFADLN O=C([O-])CCCCCNC(=O)C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000422651539 600331356 /nfs/dbraw/zinc/33/13/56/600331356.db2.gz RFUOCJPHZYSRNF-UHFFFAOYSA-N 0 2 398.463 2.586 20 0 GFADLN O=C([O-])[C@H]([NH2+]CC(=O)Nc1ccc(-n2cccn2)cc1)c1cccc(Cl)c1 ZINC000739306124 600433584 /nfs/dbraw/zinc/43/35/84/600433584.db2.gz FKJWYDNLQVYLNZ-GOSISDBHSA-N 0 2 384.823 2.880 20 0 GFADLN O=C([O-])[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000262128074 600440595 /nfs/dbraw/zinc/44/05/95/600440595.db2.gz NKZSXVMCDGGDLZ-NSHDSACASA-N 0 2 395.175 2.955 20 0 GFADLN O=C([O-])[C@@H]1CCC[N@H+]1CC(=O)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000262128074 600440598 /nfs/dbraw/zinc/44/05/98/600440598.db2.gz NKZSXVMCDGGDLZ-NSHDSACASA-N 0 2 395.175 2.955 20 0 GFADLN Cc1cc(C(=O)[O-])ccc1S(=O)(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000738347504 600472808 /nfs/dbraw/zinc/47/28/08/600472808.db2.gz NSIYBWWIFDTFKM-UHFFFAOYSA-N 0 2 375.381 2.819 20 0 GFADLN O=C([O-])CCc1ccc(NC(=O)N2CC[NH+](C[C@H](O)c3ccccc3)CC2)cc1 ZINC000739759129 600553517 /nfs/dbraw/zinc/55/35/17/600553517.db2.gz ILDPNLCDQVGPNO-FQEVSTJZSA-N 0 2 397.475 2.587 20 0 GFADLN C[C@H]1C[NH+](Cc2ccccc2NC(=O)N2CCC(C(=O)[O-])CC2)C[C@H](C)O1 ZINC000736813985 600556200 /nfs/dbraw/zinc/55/62/00/600556200.db2.gz HBBIDIDKLLLSRP-GJZGRUSLSA-N 0 2 375.469 2.624 20 0 GFADLN COC[C@@H]1CCC[N@H+](CC(=O)Nc2c(Cl)cc(Cl)cc2C(=O)[O-])C1 ZINC000737751505 600614155 /nfs/dbraw/zinc/61/41/55/600614155.db2.gz GLEPOWXBRKTHJF-SNVBAGLBSA-N 0 2 375.252 2.989 20 0 GFADLN COC[C@@H]1CCC[N@@H+](CC(=O)Nc2c(Cl)cc(Cl)cc2C(=O)[O-])C1 ZINC000737751505 600614156 /nfs/dbraw/zinc/61/41/56/600614156.db2.gz GLEPOWXBRKTHJF-SNVBAGLBSA-N 0 2 375.252 2.989 20 0 GFADLN O=C([O-])c1cc(S(=O)(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)cs1 ZINC000833304398 600743045 /nfs/dbraw/zinc/74/30/45/600743045.db2.gz ZSRCNZJUTLSTCP-UHFFFAOYSA-N 0 2 395.506 2.700 20 0 GFADLN Cn1cc[nH+]c1C[C@H](NC(=O)N1CCC2(C[C@H]2C(=O)[O-])CC1)c1ccccc1 ZINC000833057304 600760543 /nfs/dbraw/zinc/76/05/43/600760543.db2.gz AJVYSEARVHGJAQ-IRXDYDNUSA-N 0 2 382.464 2.600 20 0 GFADLN Cc1ccc(S(=O)(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)cc1C(=O)[O-] ZINC000232750886 600765316 /nfs/dbraw/zinc/76/53/16/600765316.db2.gz ORCJGLAVEADLEZ-QGZVFWFLSA-N 0 2 392.477 2.792 20 0 GFADLN O=C([O-])CCCc1nnc(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccccc2)s1 ZINC000833229833 600966289 /nfs/dbraw/zinc/96/62/89/600966289.db2.gz DCDZYVGPGSOUHR-HNNXBMFYSA-N 0 2 388.493 2.939 20 0 GFADLN O=C([O-])CCCc1nnc(NC(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)s1 ZINC000833229833 600966291 /nfs/dbraw/zinc/96/62/91/600966291.db2.gz DCDZYVGPGSOUHR-HNNXBMFYSA-N 0 2 388.493 2.939 20 0 GFADLN Cc1cccc(C2(O)CC[NH+](CC(=O)Nc3ccsc3C(=O)[O-])CC2)c1C ZINC000738687699 600975090 /nfs/dbraw/zinc/97/50/90/600975090.db2.gz QEAPQMQTADAQSP-UHFFFAOYSA-N 0 2 388.489 2.985 20 0 GFADLN CC(C)c1nc(C2([NH2+]C[C@@H](O)COc3ccc(C(=O)[O-])cc3)CCCC2)no1 ZINC000736526577 601116534 /nfs/dbraw/zinc/11/65/34/601116534.db2.gz YLPXOMUYQXUCFL-OAHLLOKOSA-N 0 2 389.452 2.690 20 0 GFADLN Cc1ccc(NC(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cc1C(=O)[O-] ZINC000832945689 601141810 /nfs/dbraw/zinc/14/18/10/601141810.db2.gz XRTBCBNTYNAHPQ-GOSISDBHSA-N 0 2 383.448 2.716 20 0 GFADLN Cc1ccc(NC(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cc1C(=O)[O-] ZINC000832945689 601141812 /nfs/dbraw/zinc/14/18/12/601141812.db2.gz XRTBCBNTYNAHPQ-GOSISDBHSA-N 0 2 383.448 2.716 20 0 GFADLN O=C([O-])c1cc(S(=O)(=O)NC[C@H](c2ccco2)[NH+]2CCCCC2)ccc1F ZINC000232750965 601206764 /nfs/dbraw/zinc/20/67/64/601206764.db2.gz ZXHPIZLDIDIZJZ-MRXNPFEDSA-N 0 2 396.440 2.622 20 0 GFADLN COc1c(C)c[nH+]c(CN(C)S(=O)(=O)c2ccc(/C=C\C(=O)[O-])cc2)c1C ZINC000831847812 601230986 /nfs/dbraw/zinc/23/09/86/601230986.db2.gz UDHVWOLQWMXTRI-YFHOEESVSA-N 0 2 390.461 2.626 20 0 GFADLN O=C([O-])c1cc(C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)ccn1 ZINC000833129998 601286222 /nfs/dbraw/zinc/28/62/22/601286222.db2.gz DZZHBSTZANNZPK-OAHLLOKOSA-N 0 2 391.830 2.967 20 0 GFADLN O=C([O-])c1cc(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)ccn1 ZINC000833129998 601286225 /nfs/dbraw/zinc/28/62/25/601286225.db2.gz DZZHBSTZANNZPK-OAHLLOKOSA-N 0 2 391.830 2.967 20 0 GFADLN C[C@@H]1CN(C(=O)Nc2sc(C(C)(C)C)cc2C(=O)[O-])C[C@@H]1[NH+]1CCOCC1 ZINC000828387545 601336667 /nfs/dbraw/zinc/33/66/67/601336667.db2.gz QZIQHRHAJMMDMX-OCCSQVGLSA-N 0 2 395.525 2.928 20 0 GFADLN Cc1[nH]c(C(=O)[C@@H](C)[N@@H+]2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)c(C)c1C(=O)[O-] ZINC000832842484 601385755 /nfs/dbraw/zinc/38/57/55/601385755.db2.gz CKILQCWSWQNOLI-ZIAGYGMSSA-N 0 2 393.484 2.842 20 0 GFADLN Cc1[nH]c(C(=O)[C@@H](C)[N@H+]2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)c(C)c1C(=O)[O-] ZINC000832842484 601385757 /nfs/dbraw/zinc/38/57/57/601385757.db2.gz CKILQCWSWQNOLI-ZIAGYGMSSA-N 0 2 393.484 2.842 20 0 GFADLN Cc1ccc(C(=O)[O-])cc1NC(=O)C[N@H+]1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000832915233 601386142 /nfs/dbraw/zinc/38/61/42/601386142.db2.gz IHAKRHAGNVGKLP-HNNXBMFYSA-N 0 2 391.468 2.573 20 0 GFADLN Cc1ccc(C(=O)[O-])cc1NC(=O)C[N@@H+]1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000832915233 601386144 /nfs/dbraw/zinc/38/61/44/601386144.db2.gz IHAKRHAGNVGKLP-HNNXBMFYSA-N 0 2 391.468 2.573 20 0 GFADLN C[C@H]1C[NH+](Cc2ccccc2NC(=O)NC2(CC(=O)[O-])CCC2)C[C@H](C)O1 ZINC000649538125 601478643 /nfs/dbraw/zinc/47/86/43/601478643.db2.gz AYCYVKOGDBMLJP-GJZGRUSLSA-N 0 2 375.469 2.815 20 0 GFADLN COc1ccc(Cl)cc1-c1nc(=S)n(C[N@@H+]2C[C@H](C)[C@@H](C(=O)[O-])C2)[nH]1 ZINC000832362994 601814687 /nfs/dbraw/zinc/81/46/87/601814687.db2.gz UGVXUBAFVXBSEF-CABZTGNLSA-N 0 2 382.873 2.880 20 0 GFADLN COc1ccc(Cl)cc1-c1nc(=S)n(C[N@H+]2C[C@H](C)[C@@H](C(=O)[O-])C2)[nH]1 ZINC000832362994 601814688 /nfs/dbraw/zinc/81/46/88/601814688.db2.gz UGVXUBAFVXBSEF-CABZTGNLSA-N 0 2 382.873 2.880 20 0 GFADLN C[C@@H]1C[N@H+](Cn2[nH]c(-c3ccccc3Br)nc2=S)C[C@@H]1C(=O)[O-] ZINC000828461671 601816959 /nfs/dbraw/zinc/81/69/59/601816959.db2.gz BHNDLCYOVVSGSJ-KOLCDFICSA-N 0 2 397.298 2.980 20 0 GFADLN C[C@@H]1C[N@@H+](Cn2[nH]c(-c3ccccc3Br)nc2=S)C[C@@H]1C(=O)[O-] ZINC000828461671 601816962 /nfs/dbraw/zinc/81/69/62/601816962.db2.gz BHNDLCYOVVSGSJ-KOLCDFICSA-N 0 2 397.298 2.980 20 0 GFADLN COc1ccc(CCC(=O)N2CC[NH+](Cc3ccc(C(=O)[O-])s3)CC2)cc1 ZINC000832293033 601944969 /nfs/dbraw/zinc/94/49/69/601944969.db2.gz WVODDWQPQMUFIF-UHFFFAOYSA-N 0 2 388.489 2.732 20 0 GFADLN Cc1cc(N2CC[C@@H]([NH2+][C@@H](C(=O)[O-])c3cc(Cl)cc(Cl)c3)C2=O)n(C)n1 ZINC000832888460 601977141 /nfs/dbraw/zinc/97/71/41/601977141.db2.gz HSBUDBLEFBCYHH-UKRRQHHQSA-N 0 2 397.262 2.556 20 0 GFADLN C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)NCCN(C(=O)[O-])C2CC2)C[C@H](C)O1 ZINC000739193690 602072376 /nfs/dbraw/zinc/07/23/76/602072376.db2.gz UOHSPVRFSGKRFX-GASCZTMLSA-N 0 2 390.484 2.560 20 0 GFADLN C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)NCCN(C(=O)[O-])C2CC2)C[C@H](C)O1 ZINC000739193690 602072379 /nfs/dbraw/zinc/07/23/79/602072379.db2.gz UOHSPVRFSGKRFX-GASCZTMLSA-N 0 2 390.484 2.560 20 0 GFADLN O=C([O-])c1ccc2c(=O)[nH]c(C[N@H+]3CCC[C@@H]3C[C@H](O)c3ccco3)nc2c1 ZINC000833325711 602250131 /nfs/dbraw/zinc/25/01/31/602250131.db2.gz UUODWRKYDBHNSJ-CJNGLKHVSA-N 0 2 383.404 2.715 20 0 GFADLN O=C([O-])c1ccc2c(=O)[nH]c(C[N@@H+]3CCC[C@@H]3C[C@H](O)c3ccco3)nc2c1 ZINC000833325711 602250132 /nfs/dbraw/zinc/25/01/32/602250132.db2.gz UUODWRKYDBHNSJ-CJNGLKHVSA-N 0 2 383.404 2.715 20 0 GFADLN COc1cc(C(=O)[O-])cc(NC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)c1OC ZINC000831891730 602354120 /nfs/dbraw/zinc/35/41/20/602354120.db2.gz HCTLRDGJNYVHFA-IUODEOHRSA-N 0 2 388.424 2.714 20 0 GFADLN CC(C)N(CCCNC(=O)NCc1cc[nH+]c(N2CCCCC2)c1)C(=O)[O-] ZINC000738846706 602414235 /nfs/dbraw/zinc/41/42/35/602414235.db2.gz PMLYOPWCSFRLAF-UHFFFAOYSA-N 0 2 377.489 2.650 20 0 GFADLN Cc1ccc2[nH+]c(CSCC(=O)N3CCC([C@H](C)NC(=O)[O-])CC3)cn2c1 ZINC000740158947 602462091 /nfs/dbraw/zinc/46/20/91/602462091.db2.gz ZUAQJACRXLLUIV-AWEZNQCLSA-N 0 2 390.509 2.771 20 0 GFADLN CN(C(=O)[C@H](Cc1cn(Cc2ccccc2)c[nH+]1)NC(=O)[O-])c1ccc(F)cc1 ZINC000739593271 602503719 /nfs/dbraw/zinc/50/37/19/602503719.db2.gz ICIZXQJVHBONBN-IBGZPJMESA-N 0 2 396.422 2.912 20 0 GFADLN CCC[N@H+](CN1C(=S)N=NC1Cc1cccs1)[C@H]1CCN(C(=O)[O-])C1 ZINC000739366239 602526230 /nfs/dbraw/zinc/52/62/30/602526230.db2.gz UYDWYCPXBPJCCB-LBPRGKRZSA-N 0 2 381.527 2.641 20 0 GFADLN CCC[N@@H+](CN1C(=S)N=NC1Cc1cccs1)[C@H]1CCN(C(=O)[O-])C1 ZINC000739366239 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Cc1ccccc1NC(=O)Cc1nc(C[N@H+]2CC[C@@H](N(C)C(=O)[O-])C2)cs1 ZINC000830581121 603840505 /nfs/dbraw/zinc/84/05/05/603840505.db2.gz LIKMYUCCLVLANG-OAHLLOKOSA-N 0 2 388.493 2.817 20 0 GFADLN Cc1ccccc1NC(=O)Cc1nc(C[N@@H+]2CC[C@@H](N(C)C(=O)[O-])C2)cs1 ZINC000830581121 603840506 /nfs/dbraw/zinc/84/05/06/603840506.db2.gz LIKMYUCCLVLANG-OAHLLOKOSA-N 0 2 388.493 2.817 20 0 GFADLN CN(C(=O)[O-])[C@H]1CC[N@H+](CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1 ZINC000827882873 603843908 /nfs/dbraw/zinc/84/39/08/603843908.db2.gz SWYZTDWLLAQCRC-JTQLQIEISA-N 0 2 379.766 2.981 20 0 GFADLN CN(C(=O)[O-])[C@H]1CC[N@@H+](CC(=O)Nc2ccc(Cl)cc2C(F)(F)F)C1 ZINC000827882873 603843909 /nfs/dbraw/zinc/84/39/09/603843909.db2.gz SWYZTDWLLAQCRC-JTQLQIEISA-N 0 2 379.766 2.981 20 0 GFADLN CC(C)[C@@H](CC[N@H+](C)Cc1nc2sc3c(c2c(=O)[nH]1)CCC3)NC(=O)[O-] ZINC000824105329 603852995 /nfs/dbraw/zinc/85/29/95/603852995.db2.gz SMYQAZXANIMOMO-GFCCVEGCSA-N 0 2 378.498 3.000 20 0 GFADLN CC(C)[C@@H](CC[N@@H+](C)Cc1nc2sc3c(c2c(=O)[nH]1)CCC3)NC(=O)[O-] 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ZZWWEJQVTXNGDK-UHFFFAOYSA-N 0 2 391.435 2.560 20 0 GFADLN O=C([O-])C[C@@H]1CCC[N@H+](CC(=O)Nc2cc3c(cc2Cl)OCCCO3)C1 ZINC000532712751 597071484 /nfs/dbraw/zinc/07/14/84/597071484.db2.gz QKFYSZFHBWVUHJ-LBPRGKRZSA-N 0 2 382.844 2.627 20 0 GFADLN O=C([O-])C[C@@H]1CCC[N@@H+](CC(=O)Nc2cc3c(cc2Cl)OCCCO3)C1 ZINC000532712751 597071488 /nfs/dbraw/zinc/07/14/88/597071488.db2.gz QKFYSZFHBWVUHJ-LBPRGKRZSA-N 0 2 382.844 2.627 20 0 GFADLN O=C([O-])[C@H]1CC[N@H+](Cn2[nH]c(-c3ccc(Br)cc3)nc2=S)C1 ZINC000819286691 597537071 /nfs/dbraw/zinc/53/70/71/597537071.db2.gz GPJQFCZJCGERLE-JTQLQIEISA-N 0 2 383.271 2.734 20 0 GFADLN O=C([O-])[C@H]1CC[N@@H+](Cn2[nH]c(-c3ccc(Br)cc3)nc2=S)C1 ZINC000819286691 597537073 /nfs/dbraw/zinc/53/70/73/597537073.db2.gz GPJQFCZJCGERLE-JTQLQIEISA-N 0 2 383.271 2.734 20 0 GFADLN CCc1nn(Cc2c(Cl)cccc2Cl)c(=O)c(-c2nn[nH]n2)c1CC ZINC000736706560 598378488 /nfs/dbraw/zinc/37/84/88/598378488.db2.gz MLCWSLNENDHGHW-UHFFFAOYSA-N 0 2 379.251 2.903 20 0 GFADLN CCC[C@@H]1CCCC[C@H]1NC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[nH]n2)c1C ZINC000736437163 598609251 /nfs/dbraw/zinc/60/92/51/598609251.db2.gz TXBMAXOSVFKTER-GDBMZVCRSA-N 0 2 386.500 2.992 20 0 GFADLN COC(=O)c1cc(-c2nn[nH]n2)c(=O)n(CCCc2cccc3ccccc32)c1 ZINC000736939643 599370105 /nfs/dbraw/zinc/37/01/05/599370105.db2.gz JMKVPMISJUITCR-UHFFFAOYSA-N 0 2 389.415 2.601 20 0 GFADLN Cc1ccccc1Nc1nc(N)nc(C[N@H+](CCC(=O)[O-])Cc2ccccc2)n1 ZINC000738778660 599713168 /nfs/dbraw/zinc/71/31/68/599713168.db2.gz SDSIBMZIABIPFU-UHFFFAOYSA-N 0 2 392.463 2.983 20 0 GFADLN Cc1ccccc1Nc1nc(N)nc(C[N@@H+](CCC(=O)[O-])Cc2ccccc2)n1 ZINC000738778660 599713169 /nfs/dbraw/zinc/71/31/69/599713169.db2.gz SDSIBMZIABIPFU-UHFFFAOYSA-N 0 2 392.463 2.983 20 0 GFADLN C[C@H](NC(=O)Nc1cccc(CSCCC(=O)[O-])c1)[C@H](C)[NH+]1CCOCC1 ZINC000736648354 599822130 /nfs/dbraw/zinc/82/21/30/599822130.db2.gz FIKZEBVTZHMQBP-GJZGRUSLSA-N 0 2 395.525 2.625 20 0 GFADLN COc1ccc([C@H]([NH2+]CC(=O)N[C@@H](C)c2ccc(Cl)cc2)C(=O)[O-])cc1 ZINC000737970142 599858025 /nfs/dbraw/zinc/85/80/25/599858025.db2.gz IJPGOXAVLPSRSX-SGTLLEGYSA-N 0 2 376.840 2.941 20 0 GFADLN CC[N@@H+](Cc1ccc(C(=O)N(C)C)cc1)Cn1nc(C(=O)[O-])c(Cl)c1C ZINC000737101821 599873547 /nfs/dbraw/zinc/87/35/47/599873547.db2.gz JNGARUOSRNAYCS-UHFFFAOYSA-N 0 2 378.860 2.725 20 0 GFADLN CC[N@H+](Cc1ccc(C(=O)N(C)C)cc1)Cn1nc(C(=O)[O-])c(Cl)c1C ZINC000737101821 599873548 /nfs/dbraw/zinc/87/35/48/599873548.db2.gz JNGARUOSRNAYCS-UHFFFAOYSA-N 0 2 378.860 2.725 20 0 GFADLN C[C@H](C[N@H+](Cc1csc(-c2ccc(S(C)(=O)=O)cc2)n1)C1CC1)C(=O)[O-] ZINC000574164083 599885258 /nfs/dbraw/zinc/88/52/58/599885258.db2.gz BXZLLLFFGOBFLL-GFCCVEGCSA-N 0 2 394.518 2.899 20 0 GFADLN C[C@H](C[N@@H+](Cc1csc(-c2ccc(S(C)(=O)=O)cc2)n1)C1CC1)C(=O)[O-] ZINC000574164083 599885260 /nfs/dbraw/zinc/88/52/60/599885260.db2.gz BXZLLLFFGOBFLL-GFCCVEGCSA-N 0 2 394.518 2.899 20 0 GFADLN CC(=O)Nc1cccc(-n2cnn(C[N@@H+](C[C@@H](C)C(=O)[O-])C3CC3)c2=S)c1 ZINC000736165877 599933033 /nfs/dbraw/zinc/93/30/33/599933033.db2.gz SVJQFGFUPKYLMK-GFCCVEGCSA-N 0 2 389.481 2.504 20 0 GFADLN CC(=O)Nc1cccc(-n2cnn(C[N@H+](C[C@@H](C)C(=O)[O-])C3CC3)c2=S)c1 ZINC000736165877 599933035 /nfs/dbraw/zinc/93/30/35/599933035.db2.gz SVJQFGFUPKYLMK-GFCCVEGCSA-N 0 2 389.481 2.504 20 0 GFADLN CCc1nn(C)c(Cl)c1CN1CC[NH+](Cc2cc(C)c(C(=O)[O-])o2)CC1 ZINC000737283889 599967018 /nfs/dbraw/zinc/96/70/18/599967018.db2.gz CLIRDRZMVMGESH-UHFFFAOYSA-N 0 2 380.876 2.553 20 0 GFADLN CC(=O)Nc1ccc2c(C[N@@H+]3Cc4ccc(C(=O)[O-])cc4C3)cc(=O)oc2c1 ZINC000736165098 600080834 /nfs/dbraw/zinc/08/08/34/600080834.db2.gz KGQHDXKTIJEJEZ-UHFFFAOYSA-N 0 2 378.384 2.965 20 0 GFADLN CC(=O)Nc1ccc2c(C[N@H+]3Cc4ccc(C(=O)[O-])cc4C3)cc(=O)oc2c1 ZINC000736165098 600080837 /nfs/dbraw/zinc/08/08/37/600080837.db2.gz KGQHDXKTIJEJEZ-UHFFFAOYSA-N 0 2 378.384 2.965 20 0 GFADLN Cc1[nH]c(C(=O)[C@H](C)[NH+]2CCC(NC(=O)OC(C)(C)C)CC2)c(C)c1C(=O)[O-] ZINC000738237287 600086309 /nfs/dbraw/zinc/08/63/09/600086309.db2.gz TWPAKPMQLXKFBV-ZDUSSCGKSA-N 0 2 393.484 2.890 20 0 GFADLN C[C@H](O)[C@H]1CCCC[N@@H+]1CC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)[O-] ZINC000736677604 600090591 /nfs/dbraw/zinc/09/05/91/600090591.db2.gz PIUONEZAIRAMJO-TVQRCGJNSA-N 0 2 375.252 2.865 20 0 GFADLN C[C@H](O)[C@H]1CCCC[N@H+]1CC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)[O-] ZINC000736677604 600090593 /nfs/dbraw/zinc/09/05/93/600090593.db2.gz PIUONEZAIRAMJO-TVQRCGJNSA-N 0 2 375.252 2.865 20 0 GFADLN Cc1[nH]c(C(=O)C[NH+]2CCC(N(C)C(=O)OC(C)(C)C)CC2)c(C)c1C(=O)[O-] ZINC000738153981 600168740 /nfs/dbraw/zinc/16/87/40/600168740.db2.gz QFVBOUREDIEFHX-UHFFFAOYSA-N 0 2 393.484 2.844 20 0 GFADLN Cc1ccc(C(=O)[O-])cc1NC(=O)N[C@H](Cc1ccccc1)C[NH+]1CCOCC1 ZINC000738533784 600356297 /nfs/dbraw/zinc/35/62/97/600356297.db2.gz STCCNFGCFFXIER-LJQANCHMSA-N 0 2 397.475 2.758 20 0 GFADLN Cc1ccc(NC(=O)[C@H](C)[NH+]2CCN(c3ccc(F)cc3)CC2)c(C(=O)[O-])c1 ZINC000738613583 600394517 /nfs/dbraw/zinc/39/45/17/600394517.db2.gz CPAMRFPMXJMORT-HNNXBMFYSA-N 0 2 385.439 2.982 20 0 GFADLN Cc1ccc2[nH+]c(CSCC(=O)N[C@@H](C(=O)[O-])c3cccs3)cn2c1 ZINC000738677848 600494569 /nfs/dbraw/zinc/49/45/69/600494569.db2.gz XLTYVPBCMYHSRJ-MRXNPFEDSA-N 0 2 375.475 2.880 20 0 GFADLN C[C@H](c1cccnc1)[NH+]1CCN(C(=O)Cn2cc(C(=O)[O-])c3ccccc32)CC1 ZINC000736723105 600502257 /nfs/dbraw/zinc/50/22/57/600502257.db2.gz AUMJECHGYRDKCJ-MRXNPFEDSA-N 0 2 392.459 2.640 20 0 GFADLN O=C([O-])CN(C(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1)c1ccccc1 ZINC000508018893 600605035 /nfs/dbraw/zinc/60/50/35/600605035.db2.gz ZKKNGXRBIJMHHL-UHFFFAOYSA-N 0 2 392.415 2.643 20 0 GFADLN Cc1cc(S(=O)(=O)N[C@H](Cc2[nH+]ccn2C)c2ccccc2)ccc1C(=O)[O-] ZINC000832902762 600794991 /nfs/dbraw/zinc/79/49/91/600794991.db2.gz MEJRCTFFWVQCHA-GOSISDBHSA-N 0 2 399.472 2.689 20 0 GFADLN C[C@H](NS(=O)(=O)Cc1ccc(C(=O)[O-])cc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000827747897 600796292 /nfs/dbraw/zinc/79/62/92/600796292.db2.gz WAIKVPAZOIGBKD-AWEZNQCLSA-N 0 2 385.445 2.751 20 0 GFADLN O=C([O-])C[C@@H]1CSCC[N@@H+]1CC[S@](=O)c1cc(Cl)ccc1Cl ZINC000833221789 601020979 /nfs/dbraw/zinc/02/09/79/601020979.db2.gz PWEIXMOSABSRJN-XFNZEKPQSA-N 0 2 382.334 2.993 20 0 GFADLN O=C([O-])C[C@@H]1CSCC[N@H+]1CC[S@](=O)c1cc(Cl)ccc1Cl ZINC000833221789 601020982 /nfs/dbraw/zinc/02/09/82/601020982.db2.gz PWEIXMOSABSRJN-XFNZEKPQSA-N 0 2 382.334 2.993 20 0 GFADLN CN(C[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccc(C(=O)[O-])cc1)C(=O)OC(C)(C)C ZINC000830717394 601038743 /nfs/dbraw/zinc/03/87/43/601038743.db2.gz AIRDOKGNZZJQBE-INIZCTEOSA-N 0 2 391.468 2.655 20 0 GFADLN CN(C[C@@H]1CCC[N@H+]1CC(=O)Nc1ccc(C(=O)[O-])cc1)C(=O)OC(C)(C)C ZINC000830717394 601038747 /nfs/dbraw/zinc/03/87/47/601038747.db2.gz AIRDOKGNZZJQBE-INIZCTEOSA-N 0 2 391.468 2.655 20 0 GFADLN Cc1ccc(-c2csc(NC(=O)C[N@H+](CC(=O)[O-])C3CCOCC3)n2)cc1 ZINC000565047372 601044693 /nfs/dbraw/zinc/04/46/93/601044693.db2.gz PXGYFKANSUSFLA-UHFFFAOYSA-N 0 2 389.477 2.623 20 0 GFADLN Cc1ccc(-c2csc(NC(=O)C[N@@H+](CC(=O)[O-])C3CCOCC3)n2)cc1 ZINC000565047372 601044695 /nfs/dbraw/zinc/04/46/95/601044695.db2.gz PXGYFKANSUSFLA-UHFFFAOYSA-N 0 2 389.477 2.623 20 0 GFADLN COC(=O)c1cc(NC(=O)C[N@@H+]2C[C@H](C)[C@H]2c2ccccc2)cc(C(=O)[O-])c1 ZINC000831269001 601045867 /nfs/dbraw/zinc/04/58/67/601045867.db2.gz HETBOKKAYNBUOB-DJJJIMSYSA-N 0 2 382.416 2.803 20 0 GFADLN COC(=O)c1cc(NC(=O)C[N@H+]2C[C@H](C)[C@H]2c2ccccc2)cc(C(=O)[O-])c1 ZINC000831269001 601045871 /nfs/dbraw/zinc/04/58/71/601045871.db2.gz HETBOKKAYNBUOB-DJJJIMSYSA-N 0 2 382.416 2.803 20 0 GFADLN CN(Cc1ccc(NC(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)cc1)C(=O)[O-] ZINC000830836086 601052026 /nfs/dbraw/zinc/05/20/26/601052026.db2.gz QHGRFIKIJWANBI-SFHVURJKSA-N 0 2 390.484 2.515 20 0 GFADLN C[C@@H](c1nnc(SC[C@H](O)CC(=O)[O-])n1-c1ccccc1)[NH+]1CCCCC1 ZINC000827966491 601207315 /nfs/dbraw/zinc/20/73/15/601207315.db2.gz RKMUJQGSMUFYJR-GOEBONIOSA-N 0 2 390.509 2.742 20 0 GFADLN COc1c(C)c[nH+]c(CN(C)S(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)c1C ZINC000831847809 601230981 /nfs/dbraw/zinc/23/09/81/601230981.db2.gz UDHVWOLQWMXTRI-JXMROGBWSA-N 0 2 390.461 2.626 20 0 GFADLN CCn1c2ccccc2nc1[C@@H]1CCC[N@@H+]1CC(=O)N1CCC(C(=O)[O-])CC1 ZINC000562883953 601338633 /nfs/dbraw/zinc/33/86/33/601338633.db2.gz OBUQDXCAYVXLOF-SFHVURJKSA-N 0 2 384.480 2.516 20 0 GFADLN CCn1c2ccccc2nc1[C@@H]1CCC[N@H+]1CC(=O)N1CCC(C(=O)[O-])CC1 ZINC000562883953 601338636 /nfs/dbraw/zinc/33/86/36/601338636.db2.gz OBUQDXCAYVXLOF-SFHVURJKSA-N 0 2 384.480 2.516 20 0 GFADLN COc1cc(OC)cc(N2CC[C@@H]([N@H+](C)Cc3cc(C)c(C(=O)[O-])o3)C2=O)c1 ZINC000832089097 601378267 /nfs/dbraw/zinc/37/82/67/601378267.db2.gz ZWBRAUJLTOVPIL-QGZVFWFLSA-N 0 2 388.420 2.541 20 0 GFADLN COc1cc(OC)cc(N2CC[C@@H]([N@@H+](C)Cc3cc(C)c(C(=O)[O-])o3)C2=O)c1 ZINC000832089097 601378271 /nfs/dbraw/zinc/37/82/71/601378271.db2.gz ZWBRAUJLTOVPIL-QGZVFWFLSA-N 0 2 388.420 2.541 20 0 GFADLN NC(=[NH+]OCC(=O)Nc1ccnn1CC1CCCCC1)c1cccc(C(=O)[O-])c1 ZINC000833079680 601578639 /nfs/dbraw/zinc/57/86/39/601578639.db2.gz YTXXXSZZIRLPEM-UHFFFAOYSA-N 0 2 399.451 2.647 20 0 GFADLN Cc1cccc(NC(=O)CN2CC[NH+](Cc3ccc(C(=O)[O-])c(F)c3)CC2)c1C ZINC000832969961 601615347 /nfs/dbraw/zinc/61/53/47/601615347.db2.gz CNSOLOOUKIVSTF-UHFFFAOYSA-N 0 2 399.466 2.897 20 0 GFADLN C[C@@H]1CN(C(=O)N[C@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)C[C@@H]1C(=O)[O-] ZINC000828349702 601661835 /nfs/dbraw/zinc/66/18/35/601661835.db2.gz RRRPIRDTFJSQTQ-KCXAZCMYSA-N 0 2 397.878 2.806 20 0 GFADLN C[C@@H]1CN(C(=O)N[C@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)C[C@@H]1C(=O)[O-] ZINC000828349702 601661836 /nfs/dbraw/zinc/66/18/36/601661836.db2.gz RRRPIRDTFJSQTQ-KCXAZCMYSA-N 0 2 397.878 2.806 20 0 GFADLN O=C([O-])CCC1CCN(C(=O)c2cccc(NC(=O)CCn3cc[nH+]c3)c2)CC1 ZINC000659775549 601815022 /nfs/dbraw/zinc/81/50/22/601815022.db2.gz XGBCUKADDSRVBK-UHFFFAOYSA-N 0 2 398.463 2.629 20 0 GFADLN CC(C)[C@H]([NH2+]Cc1nc(=O)c2sc(-c3ccc(F)cc3)cc2[nH]1)C(=O)[O-] ZINC000827097658 601823750 /nfs/dbraw/zinc/82/37/50/601823750.db2.gz WPOQRPAKRZNGFQ-HNNXBMFYSA-N 0 2 375.425 2.990 20 0 GFADLN CCc1ccccc1Nc1nc(N)nc(C[NH+]2CCC(CCC(=O)[O-])CC2)n1 ZINC000830282265 601844663 /nfs/dbraw/zinc/84/46/63/601844663.db2.gz QSSLAFNHERZLMS-UHFFFAOYSA-N 0 2 384.484 2.837 20 0 GFADLN C[C@@H]1C[N@H+](C[C@@H](O)COc2ccc(C(=O)[O-])cc2)C[C@@H](c2ccsc2)O1 ZINC000828439714 601886905 /nfs/dbraw/zinc/88/69/05/601886905.db2.gz JPDCCPKLSRCHQV-QBIMZIAESA-N 0 2 377.462 2.648 20 0 GFADLN C[C@@H]1C[N@@H+](C[C@@H](O)COc2ccc(C(=O)[O-])cc2)C[C@@H](c2ccsc2)O1 ZINC000828439714 601886907 /nfs/dbraw/zinc/88/69/07/601886907.db2.gz JPDCCPKLSRCHQV-QBIMZIAESA-N 0 2 377.462 2.648 20 0 GFADLN O=C([O-])NC[C@@H]1CCCC[N@@H+]1CC(=O)N(Cc1ccccc1)CC(F)(F)F ZINC000740626630 602049450 /nfs/dbraw/zinc/04/94/50/602049450.db2.gz YQDONENLVLZFEK-HNNXBMFYSA-N 0 2 387.402 2.700 20 0 GFADLN O=C([O-])NC[C@@H]1CCCC[N@H+]1CC(=O)N(Cc1ccccc1)CC(F)(F)F ZINC000740626630 602049454 /nfs/dbraw/zinc/04/94/54/602049454.db2.gz YQDONENLVLZFEK-HNNXBMFYSA-N 0 2 387.402 2.700 20 0 GFADLN O=C([O-])N1CCC(Nc2ccccc2)(C(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)CC1 ZINC000740507156 602154261 /nfs/dbraw/zinc/15/42/61/602154261.db2.gz 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Cc1cc(C(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)cc(C)c1OCC(=O)[O-] ZINC000832865202 601563153 /nfs/dbraw/zinc/56/31/53/601563153.db2.gz TVQKOHXUAYSTHB-UHFFFAOYSA-N 0 2 398.459 2.851 20 0 GFADLN Cc1cc(C(=O)C[N@H+](CC(=O)[O-])C2CCOCC2)c(C)n1Cc1cccs1 ZINC000832858332 601596117 /nfs/dbraw/zinc/59/61/17/601596117.db2.gz CGBYLVFKQMPIEV-UHFFFAOYSA-N 0 2 390.505 2.963 20 0 GFADLN Cc1cc(C(=O)C[N@@H+](CC(=O)[O-])C2CCOCC2)c(C)n1Cc1cccs1 ZINC000832858332 601596119 /nfs/dbraw/zinc/59/61/19/601596119.db2.gz CGBYLVFKQMPIEV-UHFFFAOYSA-N 0 2 390.505 2.963 20 0 GFADLN COc1ccc(C[N@H+](C)CN2C(=O)CN(c3cccc(C(=O)[O-])c3)C2=O)cc1C ZINC000832311198 601877180 /nfs/dbraw/zinc/87/71/80/601877180.db2.gz UOISESAUIFVZIU-UHFFFAOYSA-N 0 2 397.431 2.560 20 0 GFADLN COc1ccc(C[N@@H+](C)CN2C(=O)CN(c3cccc(C(=O)[O-])c3)C2=O)cc1C ZINC000832311198 601877181 /nfs/dbraw/zinc/87/71/81/601877181.db2.gz UOISESAUIFVZIU-UHFFFAOYSA-N 0 2 397.431 2.560 20 0 GFADLN O=C([O-])C[C@H]1CSCC[N@@H+]1Cc1ccc(I)cc1 ZINC000097684134 601891242 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20 0 GFADLN Cc1ccc2nc(NC(=O)C[N@@H+]3CCC[C@@H](CN(C)C(=O)[O-])C3)sc2c1 ZINC000740157108 602265029 /nfs/dbraw/zinc/26/50/29/602265029.db2.gz PDWCSOTVPMCUGR-ZDUSSCGKSA-N 0 2 376.482 2.865 20 0 GFADLN CC(C)c1cnc(C[N@H+](C)[C@H]2CCN(C(=O)c3ccc(C(=O)[O-])s3)C2)o1 ZINC000827139193 602316828 /nfs/dbraw/zinc/31/68/28/602316828.db2.gz FRVVMXWOJVNAEJ-LBPRGKRZSA-N 0 2 377.466 2.904 20 0 GFADLN CC(C)c1cnc(C[N@@H+](C)[C@H]2CCN(C(=O)c3ccc(C(=O)[O-])s3)C2)o1 ZINC000827139193 602316832 /nfs/dbraw/zinc/31/68/32/602316832.db2.gz FRVVMXWOJVNAEJ-LBPRGKRZSA-N 0 2 377.466 2.904 20 0 GFADLN C[C@@H]1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)C[C@@H]1n1cc[nH+]c1 ZINC000828295445 602320709 /nfs/dbraw/zinc/32/07/09/602320709.db2.gz HJSOJKOLVMFHER-ABAIWWIYSA-N 0 2 383.857 2.507 20 0 GFADLN Cc1ccc2[nH+]c(CSCC(=O)N3CCCC[C@H]3CNC(=O)[O-])cn2c1 ZINC000740157502 602322018 /nfs/dbraw/zinc/32/20/18/602322018.db2.gz QPXVLVDTQVBSGU-HNNXBMFYSA-N 0 2 376.482 2.525 20 0 GFADLN CCc1ccc(C[NH+]2CCN(C(=O)Nc3cc(C(=O)[O-])n(C)c3)CC2)s1 ZINC000830249205 602369030 /nfs/dbraw/zinc/36/90/30/602369030.db2.gz CXJLQDBCLRRKKV-UHFFFAOYSA-N 0 2 376.482 2.697 20 0 GFADLN O=C([O-])NC[C@@H]1CC[N@H+](Cn2cc(Br)c(-c3ccc(F)cc3)n2)C1 ZINC000740645900 602524400 /nfs/dbraw/zinc/52/44/00/602524400.db2.gz HJQMZDLBJBXIJR-NSHDSACASA-N 0 2 397.248 2.999 20 0 GFADLN O=C([O-])NC[C@@H]1CC[N@@H+](Cn2cc(Br)c(-c3ccc(F)cc3)n2)C1 ZINC000740645900 602524401 /nfs/dbraw/zinc/52/44/01/602524401.db2.gz HJQMZDLBJBXIJR-NSHDSACASA-N 0 2 397.248 2.999 20 0 GFADLN C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)NC[C@H]3CCCN3C(=O)[O-])n2)C1 ZINC000739112934 602594982 /nfs/dbraw/zinc/59/49/82/602594982.db2.gz UECBIFDDAHFDFN-TZMCWYRMSA-N 0 2 381.502 2.639 20 0 GFADLN C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)NC[C@H]3CCCN3C(=O)[O-])n2)C1 ZINC000739112934 602594984 /nfs/dbraw/zinc/59/49/84/602594984.db2.gz UECBIFDDAHFDFN-TZMCWYRMSA-N 0 2 381.502 2.639 20 0 GFADLN O=C([O-])N1CCc2ccc(NC(=O)NCCc3cn4c([nH+]3)CCCC4)cc2C1 ZINC000740447587 602609531 /nfs/dbraw/zinc/60/95/31/602609531.db2.gz SEDGXGLCSTUUIK-UHFFFAOYSA-N 0 2 383.452 2.620 20 0 GFADLN C[C@@H]1C[N@H+](CC(=O)Nc2ccc(Br)cc2F)CC[C@H]1NC(=O)[O-] ZINC000739179032 602798833 /nfs/dbraw/zinc/79/88/33/602798833.db2.gz LDUPJNBLOKKCGW-BXKDBHETSA-N 0 2 388.237 2.505 20 0 GFADLN C[C@@H]1C[N@@H+](CC(=O)Nc2ccc(Br)cc2F)CC[C@H]1NC(=O)[O-] ZINC000739179032 602798835 /nfs/dbraw/zinc/79/88/35/602798835.db2.gz LDUPJNBLOKKCGW-BXKDBHETSA-N 0 2 388.237 2.505 20 0 GFADLN CCC(CC)[C@H](C(=O)Nc1cccc(CN(C)C(=O)[O-])c1)[NH+]1CCOCC1 ZINC000739253781 602844468 /nfs/dbraw/zinc/84/44/68/602844468.db2.gz UHYUXOSUEOPGHR-GOSISDBHSA-N 0 2 377.485 2.872 20 0 GFADLN CCc1ccc(C[NH+]2CCN(C(=O)CC3CCN(C(=O)[O-])CC3)CC2)s1 ZINC000739540866 602847361 /nfs/dbraw/zinc/84/73/61/602847361.db2.gz CIEUMRJPEOFVRD-UHFFFAOYSA-N 0 2 379.526 2.735 20 0 GFADLN O=C([O-])N1CCCC[C@H](NC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)C1 ZINC000740477805 602882574 /nfs/dbraw/zinc/88/25/74/602882574.db2.gz ZAQQYBNDFSUQDH-ZDUSSCGKSA-N 0 2 381.502 2.783 20 0 GFADLN C[C@H](C(=O)N(C)CC[NH+]1CCN(C(=O)[O-])CC1)c1ccccc1C(F)(F)F ZINC000738601754 602889853 /nfs/dbraw/zinc/88/98/53/602889853.db2.gz LUUAUQJUGHFDOT-ZDUSSCGKSA-N 0 2 387.402 2.563 20 0 GFADLN COc1ccccc1[C@H](NC(=O)[O-])C(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000739970933 602895773 /nfs/dbraw/zinc/89/57/73/602895773.db2.gz ZVHVTPVQGQPHMG-KRWDZBQOSA-N 0 2 384.367 2.967 20 0 GFADLN C[C@@H]1CN(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)CC[C@@H]1NC(=O)[O-] ZINC000739145117 603182310 /nfs/dbraw/zinc/18/23/10/603182310.db2.gz LMWOKFJHKKHIOF-OCCSQVGLSA-N 0 2 381.502 2.639 20 0 GFADLN CCCN(C(=O)CSCc1cn2cc(C)ccc2[nH+]1)[C@H]1CCN(C(=O)[O-])C1 ZINC000739352567 603184635 /nfs/dbraw/zinc/18/46/35/603184635.db2.gz WRVHMFVJMOUDGJ-INIZCTEOSA-N 0 2 390.509 2.867 20 0 GFADLN CCCN(C(=O)CSCc1cn2cc(C)ccc2[nH+]1)[C@@H]1CCN(C(=O)[O-])C1 ZINC000739352569 603184895 /nfs/dbraw/zinc/18/48/95/603184895.db2.gz WRVHMFVJMOUDGJ-MRXNPFEDSA-N 0 2 390.509 2.867 20 0 GFADLN O=C([O-])N1CCc2c(cccc2NC(=O)NCCc2cn3c([nH+]2)CCCC3)C1 ZINC000740446496 603294488 /nfs/dbraw/zinc/29/44/88/603294488.db2.gz JRKCWVYKKRCWSO-UHFFFAOYSA-N 0 2 383.452 2.620 20 0 GFADLN CN(Cc1cccc(NC(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)c1)C(=O)[O-] ZINC000828375622 603338056 /nfs/dbraw/zinc/33/80/56/603338056.db2.gz NIEUVFPGBZKVJM-SFHVURJKSA-N 0 2 390.484 2.515 20 0 GFADLN COc1c(C)c[nH+]c(CNC(=O)N2CCC(N(CC3CC3)C(=O)[O-])CC2)c1C ZINC000829067636 603480048 /nfs/dbraw/zinc/48/00/48/603480048.db2.gz YHPLTLLRZINCGV-UHFFFAOYSA-N 0 2 390.484 2.771 20 0 GFADLN O=C([O-])NCC1CC[NH+](Cc2csc(CC(=O)Nc3ccccc3)n2)CC1 ZINC000832595035 603556369 /nfs/dbraw/zinc/55/63/69/603556369.db2.gz JZOAXWMSZIDCOE-UHFFFAOYSA-N 0 2 388.493 2.804 20 0 GFADLN C[C@H](c1cccc(NC(=O)[C@H]2[C@H](C)OC(C)(C)N2C(=O)[O-])c1)[NH+]1CCOCC1 ZINC000826116881 603755645 /nfs/dbraw/zinc/75/56/45/603755645.db2.gz WHBBEHFMBPYZNV-JKIFEVAISA-N 0 2 391.468 2.522 20 0 GFADLN CN(C(=O)[O-])[C@H]1CC[N@H+](CC(=O)N[C@H](c2cccs2)c2ccc(F)cc2)C1 ZINC000827883590 603795647 /nfs/dbraw/zinc/79/56/47/603795647.db2.gz 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O=C([O-])NC[C@H]1CCC[N@@H+]1Cc1nc(-c2cc(Br)cs2)no1 ZINC000832573767 604064513 /nfs/dbraw/zinc/06/45/13/604064513.db2.gz SFXQTHJVQBVEFH-SECBINFHSA-N 0 2 387.259 2.793 20 0 GFADLN O=C([O-])NC[C@H]1CCC[N@H+]1Cc1nc(-c2cc(Br)cs2)no1 ZINC000832573767 604064514 /nfs/dbraw/zinc/06/45/14/604064514.db2.gz SFXQTHJVQBVEFH-SECBINFHSA-N 0 2 387.259 2.793 20 0 GFADLN C[C@@H](NC(=O)[O-])[C@H]1CCC[N@H+](Cc2ccc(S(=O)(=O)C(F)F)cc2)C1 ZINC000825262411 604244312 /nfs/dbraw/zinc/24/43/12/604244312.db2.gz AOJFLBWRANXYFI-YPMHNXCESA-N 0 2 376.425 2.551 20 0 GFADLN C[C@@H](NC(=O)[O-])[C@H]1CCC[N@@H+](Cc2ccc(S(=O)(=O)C(F)F)cc2)C1 ZINC000825262411 604244314 /nfs/dbraw/zinc/24/43/14/604244314.db2.gz AOJFLBWRANXYFI-YPMHNXCESA-N 0 2 376.425 2.551 20 0 GFADLN C[C@H](C(=O)N1CC[NH+]([C@H](C(=O)[O-])c2cccc(Cl)c2)CC1)C(F)(F)F ZINC000825990464 604340879 /nfs/dbraw/zinc/34/08/79/604340879.db2.gz NGSODPJFXWLTOH-MFKMUULPSA-N 0 2 378.778 2.808 20 0 GFADLN Cc1cc([C@H](C)[NH+]2CCN(CC(=O)Nc3ccc(F)cc3)CC2)oc1C(=O)[O-] 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ZINC000195101791 553038188 /nfs/dbraw/zinc/03/81/88/553038188.db2.gz PMTDVFIDGAJINW-UHFFFAOYSA-N 0 2 377.363 2.793 20 0 GFADLN O=C([O-])c1cccc(NC[C@@H](CO)Cc2ccc(F)c(Br)c2)[nH+]1 ZINC000263427663 553187318 /nfs/dbraw/zinc/18/73/18/553187318.db2.gz RQRHKBSNNXPAHR-NSHDSACASA-N 0 2 383.217 2.945 20 0 GFADLN CN(C)c1ncc(Br)cc1C(=O)N=c1nc(C(C)(C)C)[nH]s1 ZINC000330735199 563518753 /nfs/dbraw/zinc/51/87/53/563518753.db2.gz MAPOWEOLOMCFOU-UHFFFAOYSA-N 0 2 384.303 2.733 20 0 GFADLN O=C1CCCc2cc(S(=O)(=O)Nc3nnc(CC(F)(F)F)s3)ccc21 ZINC000294896288 563221002 /nfs/dbraw/zinc/22/10/02/563221002.db2.gz ABRLIOBVSWJDTL-UHFFFAOYSA-N 0 2 391.396 2.963 20 0 GFADLN CCCS(=O)(=O)c1ccc(S(=O)(=O)Nc2cccc(C3CC3)n2)cc1 ZINC000295176103 563233499 /nfs/dbraw/zinc/23/34/99/563233499.db2.gz HRNZNPYSIHFMLT-UHFFFAOYSA-N 0 2 380.491 2.944 20 0 GFADLN C[C@H]1CN(C(=O)c2cc(Cl)cc(Br)c2O)CC[S@@](=O)C1 ZINC000278220284 563245702 /nfs/dbraw/zinc/24/57/02/563245702.db2.gz RXTDSKIEIKKVRS-FFVOIRBGSA-N 0 2 380.691 2.649 20 0 GFADLN CC(C)(C)Cc1nnc(NS(=O)(=O)c2cc3c(cc2Cl)OCCO3)o1 ZINC000278292875 563248794 /nfs/dbraw/zinc/24/87/94/563248794.db2.gz CUQUTPSHFHUBOZ-UHFFFAOYSA-N 0 2 387.845 2.884 20 0 GFADLN Cn1cc(-c2nnc(NS(=O)(=O)c3ccc(Cl)c(F)c3Cl)o2)cn1 ZINC000370590579 563249435 /nfs/dbraw/zinc/24/94/35/563249435.db2.gz XBLNTTVPUIEKSZ-UHFFFAOYSA-N 0 2 392.199 2.717 20 0 GFADLN O=C(NC[C@H]1CCSC1)c1ccc(NS(=O)(=O)c2cccs2)cc1O ZINC000279250290 563289215 /nfs/dbraw/zinc/28/92/15/563289215.db2.gz RUBKABFLPGYOSA-LLVKDONJSA-N 0 2 398.531 2.737 20 0 GFADLN CC[C@H](CS(=O)(=O)Nc1cc(F)c(Br)cc1C(=O)OC)OC ZINC000421160307 563299228 /nfs/dbraw/zinc/29/92/28/563299228.db2.gz VFOMMPVKWCFYJG-MRVPVSSYSA-N 0 2 398.250 2.542 20 0 GFADLN CCCS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccc3c(n2)CCC3)cc1 ZINC000296751708 563299549 /nfs/dbraw/zinc/29/95/49/563299549.db2.gz PTZSTZIVEUEIPG-UHFFFAOYSA-N 0 2 380.491 2.555 20 0 GFADLN C[C@H]1CN(C(=O)c2cc(Br)cc(Cl)c2O)C[C@]2(CCOC2)O1 ZINC000280804229 563355390 /nfs/dbraw/zinc/35/53/90/563355390.db2.gz 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563470835 /nfs/dbraw/zinc/47/08/35/563470835.db2.gz HAFMKQMPIDEVGE-UHFFFAOYSA-N 0 2 380.170 2.641 20 0 GFADLN COC(=O)c1ccc(S(=O)(=O)Nc2cc3cccnc3c(OC)c2)s1 ZINC000427652820 563471408 /nfs/dbraw/zinc/47/14/08/563471408.db2.gz GDCRQXLZWMKKKV-UHFFFAOYSA-N 0 2 378.431 2.892 20 0 GFADLN CCOC(=O)c1cc(Cl)cc(S(=O)(=O)Nc2nc(COC)cs2)c1 ZINC000427789196 563475342 /nfs/dbraw/zinc/47/53/42/563475342.db2.gz NAWICDJDJMPNBB-UHFFFAOYSA-N 0 2 390.870 2.920 20 0 GFADLN O=C(c1cccc(NS(=O)(=O)c2cccs2)c1)N1CCC[C@@H]1CCO ZINC000428621002 563497357 /nfs/dbraw/zinc/49/73/57/563497357.db2.gz CMKPDPHNTARZFS-OAHLLOKOSA-N 0 2 380.491 2.536 20 0 GFADLN COc1ccc(C)cc1C1(CNS(=O)(=O)CC(F)(F)F)CCOCC1 ZINC000331076384 563533749 /nfs/dbraw/zinc/53/37/49/563533749.db2.gz WLJJJDWKZTVFRN-UHFFFAOYSA-N 0 2 381.416 2.534 20 0 GFADLN Cc1cc(S(C)(=O)=O)c(C)c(S(=O)(=O)Nc2nc(C3CC3)cs2)c1 ZINC000331484032 563551226 /nfs/dbraw/zinc/55/12/26/563551226.db2.gz JVVYCZKWMIDJJO-UHFFFAOYSA-N 0 2 386.520 2.842 20 0 GFADLN 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O=C(Nc1cccc(S(=O)(=O)Nc2nccs2)c1)c1ccccc1O ZINC000436575762 563674525 /nfs/dbraw/zinc/67/45/25/563674525.db2.gz PAEDFCDMISUYHJ-UHFFFAOYSA-N 0 2 375.431 2.902 20 0 GFADLN CC[C@@H]1CN(C(=O)c2cc(F)cc(Br)c2O)C[C@H](C)[S@@]1=O ZINC000436723023 563677583 /nfs/dbraw/zinc/67/75/83/563677583.db2.gz OYBLDQUKXLWORH-AXQXFGFBSA-N 0 2 378.263 2.665 20 0 GFADLN CNC(=O)c1ccc(CNC(=O)c2cc(F)cc(Br)c2O)cc1 ZINC000436845401 563681763 /nfs/dbraw/zinc/68/17/63/563681763.db2.gz DKJNXORIZKYWBU-UHFFFAOYSA-N 0 2 381.201 2.583 20 0 GFADLN O=C(NCc1nncn1-c1ccccc1)c1cc(F)cc(Br)c1O ZINC000436850138 563681799 /nfs/dbraw/zinc/68/17/99/563681799.db2.gz YUVFDVKOMFLNHR-UHFFFAOYSA-N 0 2 391.200 2.805 20 0 GFADLN O=C(c1cc(F)cc(Br)c1O)N1CCN(Cc2ccccn2)CC1 ZINC000436852133 563682013 /nfs/dbraw/zinc/68/20/13/563682013.db2.gz NRJFRILLVZMRGD-UHFFFAOYSA-N 0 2 394.244 2.647 20 0 GFADLN CN(C)C(=O)c1ccnc(NC(=O)c2cc(F)cc(Br)c2O)c1 ZINC000436860678 563682534 /nfs/dbraw/zinc/68/25/34/563682534.db2.gz XHCGAEGCSVIMRS-UHFFFAOYSA-N 0 2 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COC(=O)c1ccc(S(=O)(=O)Nc2ccc(OC)c3ncccc23)s1 ZINC000486616522 564658410 /nfs/dbraw/zinc/65/84/10/564658410.db2.gz GKVGKXUSZYPAKA-UHFFFAOYSA-N 0 2 378.431 2.892 20 0 GFADLN COC(=O)c1cc(S(=O)(=O)Nc2nc(-c3cccs3)ns2)ccc1C ZINC000486756027 564665576 /nfs/dbraw/zinc/66/55/76/564665576.db2.gz BEGLFGOZLOTVHP-UHFFFAOYSA-N 0 2 395.487 2.584 20 0 GFADLN CCNS(=O)(=O)c1ccccc1S(=O)(=O)Nc1cccc(C(C)C)c1 ZINC000488233815 564707172 /nfs/dbraw/zinc/70/71/72/564707172.db2.gz PYXIOMIEVXBZQU-UHFFFAOYSA-N 0 2 382.507 2.909 20 0 GFADLN O=S(=O)(Nc1cc([C@H]2CCCO2)[nH]n1)c1ccc(OC(F)F)c(F)c1 ZINC000577160115 564727261 /nfs/dbraw/zinc/72/72/61/564727261.db2.gz TUKIMPDVPLOLDE-GFCCVEGCSA-N 0 2 377.344 2.803 20 0 GFADLN O=C(NC1(CO)CCCC1)c1ccc(NS(=O)(=O)c2cccs2)cc1 ZINC000489175483 564731633 /nfs/dbraw/zinc/73/16/33/564731633.db2.gz LTIKPZSCJQOSSO-UHFFFAOYSA-N 0 2 380.491 2.584 20 0 GFADLN O=C(NCC1=CCCOC1)c1cccc(NS(=O)(=O)c2cccs2)c1 ZINC000553730955 564734479 /nfs/dbraw/zinc/73/44/79/564734479.db2.gz 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COc1ccc([C@H](C)NC(=O)N=c2nc3n([nH]2)CCCC3)cc1Br ZINC000581986989 564825839 /nfs/dbraw/zinc/82/58/39/564825839.db2.gz XBKXLCYTXOQHID-JTQLQIEISA-N 0 2 394.273 2.690 20 0 GFADLN O=C(C1CC1)[C@H]1CN(C(=O)c2cc(Br)cc(Cl)c2O)CCO1 ZINC000582158841 564833412 /nfs/dbraw/zinc/83/34/12/564833412.db2.gz VIHQJVBVXKFLSJ-GFCCVEGCSA-N 0 2 388.645 2.628 20 0 GFADLN Cc1c(Cl)c(C(F)(F)F)nn1CC(=O)N=c1nc(C2(C)CC2)[nH]s1 ZINC000529696124 564847313 /nfs/dbraw/zinc/84/73/13/564847313.db2.gz HQJHOPUWHZKYQX-UHFFFAOYSA-N 0 2 379.795 2.827 20 0 GFADLN CC1(c2nc(=NC(=O)c3cn(-c4cccc(Cl)c4F)nn3)s[nH]2)CC1 ZINC000529699900 564847677 /nfs/dbraw/zinc/84/76/77/564847677.db2.gz WFUZVQMPKTUYNS-UHFFFAOYSA-N 0 2 378.820 2.637 20 0 GFADLN COc1ccc(Br)cc1CC(=O)N=c1nc(C2(C)CC2)[nH]s1 ZINC000529697219 564847737 /nfs/dbraw/zinc/84/77/37/564847737.db2.gz FZDFXEFBMBKSEN-UHFFFAOYSA-N 0 2 382.283 2.964 20 0 GFADLN CCCn1nccc1NS(=O)(=O)c1cc2c(cc1Cl)N(C(C)=O)CC2 ZINC000530135656 564865139 /nfs/dbraw/zinc/86/51/39/564865139.db2.gz 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Cc1n[nH]c(NC(=O)CCSCC(=O)Nc2ccc(Br)cc2)n1 ZINC000502689596 565003541 /nfs/dbraw/zinc/00/35/41/565003541.db2.gz MFTABLNUNQTOGS-UHFFFAOYSA-N 0 2 398.286 2.576 20 0 GFADLN Cc1ccc(S(C)(=O)=O)cc1S(=O)(=O)Nc1cc(CCC(C)C)n[nH]1 ZINC000469069642 565004946 /nfs/dbraw/zinc/00/49/46/565004946.db2.gz WBAUGFJJQFKRME-UHFFFAOYSA-N 0 2 385.511 2.511 20 0 GFADLN Cc1csc(S(=O)(=O)Nc2nc(CN3C[C@H](C)O[C@@H](C)C3)cs2)c1 ZINC000562540704 565032370 /nfs/dbraw/zinc/03/23/70/565032370.db2.gz AGSGSVPNJBFXTN-RYUDHWBXSA-N 0 2 387.552 2.923 20 0 GFADLN CCSc1ccccc1C(=O)N1CCc2nc(NS(C)(=O)=O)sc2C1 ZINC000562708641 565038838 /nfs/dbraw/zinc/03/88/38/565038838.db2.gz HTGXIUIEUFUTMS-UHFFFAOYSA-N 0 2 397.547 2.825 20 0 GFADLN CS(=O)(=O)c1ccccc1NS(=O)(=O)c1cccc(OC(F)(F)F)c1 ZINC000537031881 565051970 /nfs/dbraw/zinc/05/19/70/565051970.db2.gz LTWOYPODAWBSBC-UHFFFAOYSA-N 0 2 395.380 2.790 20 0 GFADLN O=C(Cc1ccc(NS(=O)(=O)c2cccs2)cc1)NCc1nccs1 ZINC000613976829 565088233 /nfs/dbraw/zinc/08/82/33/565088233.db2.gz 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LKIOUKSUSNMQRA-HNNXBMFYSA-N 0 2 391.830 2.967 20 0 GFADLN Cc1cn(C[NH+]2CCC3(C[C@@H]3C(=O)[O-])CC2)c(=O)n1-c1ccccc1Cl ZINC000738799417 600280145 /nfs/dbraw/zinc/28/01/45/600280145.db2.gz WMBXXXAITLODDN-CQSZACIVSA-N 0 2 375.856 2.745 20 0 GFADLN COc1ccccc1C[NH+]1CCN(C(=O)Nc2ccc(CNC(=O)[O-])cc2)CC1 ZINC000738133156 600348756 /nfs/dbraw/zinc/34/87/56/600348756.db2.gz JXAZSAXSUDUHPV-UHFFFAOYSA-N 0 2 398.463 2.813 20 0 GFADLN C[C@@H](C(=O)N1C[C@@H](C(=O)[O-])c2ccccc21)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000736198957 600365218 /nfs/dbraw/zinc/36/52/18/600365218.db2.gz GGTFAQOMUCTFMJ-HNAYVOBHSA-N 0 2 397.450 2.551 20 0 GFADLN O=C([O-])Nc1ccc(NC(=O)N[C@H](Cc2ccccc2)C[NH+]2CCOCC2)cc1 ZINC000738665815 600381229 /nfs/dbraw/zinc/38/12/29/600381229.db2.gz QMSDQHIHMLCTGT-LJQANCHMSA-N 0 2 398.463 2.842 20 0 GFADLN COc1ccccc1C[NH+]1CCN(C(=O)Nc2ccc(F)c(C(=O)[O-])c2)CC1 ZINC000738133630 600387895 /nfs/dbraw/zinc/38/78/95/600387895.db2.gz PORKPNRUXVYLHM-UHFFFAOYSA-N 0 2 387.411 2.882 20 0 GFADLN C[C@H]1CN(c2ccc(C(=O)[O-])cc2)CC[N@@H+]1Cn1cnc(-c2ccccc2)n1 ZINC000736825955 600395846 /nfs/dbraw/zinc/39/58/46/600395846.db2.gz PJMYMMITXNPUHU-INIZCTEOSA-N 0 2 377.448 2.812 20 0 GFADLN C[C@H]1CN(c2ccc(C(=O)[O-])cc2)CC[N@H+]1Cn1cnc(-c2ccccc2)n1 ZINC000736825955 600395850 /nfs/dbraw/zinc/39/58/50/600395850.db2.gz PJMYMMITXNPUHU-INIZCTEOSA-N 0 2 377.448 2.812 20 0 GFADLN O=C([O-])c1ccccc1-n1ncc(N2CCC(n3cc[nH+]c3)CC2)c(Cl)c1=O ZINC000740242736 600434225 /nfs/dbraw/zinc/43/42/25/600434225.db2.gz SSKAZFJYXWWDCN-UHFFFAOYSA-N 0 2 399.838 2.622 20 0 GFADLN C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)NCCc2ccc(NC(=O)[O-])cc2)CC1 ZINC000736722935 600462123 /nfs/dbraw/zinc/46/21/23/600462123.db2.gz AERUSCSFFURRFO-INIZCTEOSA-N 0 2 397.479 2.802 20 0 GFADLN O=C([O-])[C@@H](c1ccc(F)cc1)N1CC[NH+]([C@H](CO)c2ccc(Cl)cc2)CC1 ZINC000739514118 600462881 /nfs/dbraw/zinc/46/28/81/600462881.db2.gz CPOCJOKLFZSNEW-RTBURBONSA-N 0 2 392.858 2.956 20 0 GFADLN Cn1cc[nH+]c1C[C@H](NC(=O)N1CCC2(C[C@@H]2C(=O)[O-])CC1)c1ccccc1 ZINC000833057305 600760964 /nfs/dbraw/zinc/76/09/64/600760964.db2.gz AJVYSEARVHGJAQ-SJORKVTESA-N 0 2 382.464 2.600 20 0 GFADLN CCc1nccn1[C@H]1CCC[N@@H+]([C@@H]2CCN(c3sccc3C(=O)[O-])C2=O)C1 ZINC000830328468 600795865 /nfs/dbraw/zinc/79/58/65/600795865.db2.gz ORODVCYQYOIDBC-DZGCQCFKSA-N 0 2 388.493 2.648 20 0 GFADLN CCc1nccn1[C@H]1CCC[N@H+]([C@@H]2CCN(c3sccc3C(=O)[O-])C2=O)C1 ZINC000830328468 600795867 /nfs/dbraw/zinc/79/58/67/600795867.db2.gz ORODVCYQYOIDBC-DZGCQCFKSA-N 0 2 388.493 2.648 20 0 GFADLN O=C([O-])c1ccccc1-n1ncc(N2CCC[C@H](n3cc[nH+]c3)C2)c(Cl)c1=O ZINC000833334916 600813510 /nfs/dbraw/zinc/81/35/10/600813510.db2.gz SVJXHVMZBHSKDY-ZDUSSCGKSA-N 0 2 399.838 2.622 20 0 GFADLN O=C([O-])Cc1ccc(S(=O)(=O)N2C[C@@H](n3cc[nH+]c3)Cc3ccccc32)cc1 ZINC000739884845 601118760 /nfs/dbraw/zinc/11/87/60/601118760.db2.gz QFPBCXHOLCLYAL-KRWDZBQOSA-N 0 2 397.456 2.503 20 0 GFADLN Cc1cc(C(=O)[O-])cc(S(=O)(=O)NCc2cccc(Cn3cc[nH+]c3)c2)c1C ZINC000237897084 601215674 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381.400 2.867 20 0 GFADLN O=C([O-])[C@]1(F)CC[N@H+](CC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)C1 ZINC000833107789 601555850 /nfs/dbraw/zinc/55/58/50/601555850.db2.gz YHKQSYCLBHTOAE-KRWDZBQOSA-N 0 2 388.361 2.695 20 0 GFADLN O=C([O-])[C@]1(F)CC[N@@H+](CC(=O)N(Cc2ccc(C(F)(F)F)cc2)C2CC2)C1 ZINC000833107789 601555852 /nfs/dbraw/zinc/55/58/52/601555852.db2.gz YHKQSYCLBHTOAE-KRWDZBQOSA-N 0 2 388.361 2.695 20 0 GFADLN CC(=O)c1[nH]c(CC(=O)OCc2ccc(-n3cc[nH+]c3)cc2)c(C(=O)[O-])c1C ZINC000825937583 601589212 /nfs/dbraw/zinc/58/92/12/601589212.db2.gz YRUGXBKRCMUFIX-UHFFFAOYSA-N 0 2 381.388 2.696 20 0 GFADLN Cc1sc(C(=O)[O-])cc1C[NH+]1CCN(C(=O)COc2ccc(C)cc2)CC1 ZINC000832951038 601625323 /nfs/dbraw/zinc/62/53/23/601625323.db2.gz QRSVEWIEWFSFAS-UHFFFAOYSA-N 0 2 388.489 2.786 20 0 GFADLN C[C@@H]1CN(C(=O)N[C@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)C[C@H]1C(=O)[O-] ZINC000828349703 601661725 /nfs/dbraw/zinc/66/17/25/601661725.db2.gz RRRPIRDTFJSQTQ-UHOFOFEASA-N 0 2 397.878 2.806 20 0 GFADLN C[C@@H]1CN(C(=O)N[C@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)C[C@H]1C(=O)[O-] ZINC000828349703 601661726 /nfs/dbraw/zinc/66/17/26/601661726.db2.gz RRRPIRDTFJSQTQ-UHOFOFEASA-N 0 2 397.878 2.806 20 0 GFADLN Cn1cc(Br)cc1C[N@H+](C)Cn1nc(C(=O)[O-])c2ccccc21 ZINC000830806859 602090942 /nfs/dbraw/zinc/09/09/42/602090942.db2.gz XAEWHIBFXBIHLB-UHFFFAOYSA-N 0 2 377.242 2.925 20 0 GFADLN Cn1cc(Br)cc1C[N@@H+](C)Cn1nc(C(=O)[O-])c2ccccc21 ZINC000830806859 602090946 /nfs/dbraw/zinc/09/09/46/602090946.db2.gz XAEWHIBFXBIHLB-UHFFFAOYSA-N 0 2 377.242 2.925 20 0 GFADLN COc1c(C)c[nH+]c(CN(C)C(=O)N[C@@H](C)[C@H]2CCCN(C(=O)[O-])C2)c1C ZINC000739846493 602177460 /nfs/dbraw/zinc/17/74/60/602177460.db2.gz SMVLSJGDTXAFHS-GJZGRUSLSA-N 0 2 378.473 2.627 20 0 GFADLN CC(C)(C)[C@H]1CCc2c(sc(=O)n2C[NH+]2CCC(CNC(=O)[O-])CC2)C1 ZINC000738676510 602253090 /nfs/dbraw/zinc/25/30/90/602253090.db2.gz RRJKCIFTPFOPPC-AWEZNQCLSA-N 0 2 381.542 2.998 20 0 GFADLN C[C@H]1CCN(S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)C[C@@H]1n1cc[nH+]c1 ZINC000828295777 602320601 /nfs/dbraw/zinc/32/06/01/602320601.db2.gz PMVLUIUKTFRVJX-FZMZJTMJSA-N 0 2 383.857 2.507 20 0 GFADLN Cc1cn(C[NH+]2CCC(CNC(=O)[O-])CC2)c(=O)n1-c1ccc(Cl)cc1 ZINC000740198490 602323972 /nfs/dbraw/zinc/32/39/72/602323972.db2.gz QSBCFDHQNQUTFB-UHFFFAOYSA-N 0 2 378.860 2.538 20 0 GFADLN C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N3CC[C@H](CN(C)C(=O)[O-])C3)n2)C1 ZINC000739112028 602552201 /nfs/dbraw/zinc/55/22/01/602552201.db2.gz RAMQFXHVONJNDN-ZIAGYGMSSA-N 0 2 395.529 2.839 20 0 GFADLN C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CC[C@H](CN(C)C(=O)[O-])C3)n2)C1 ZINC000739112028 602552203 /nfs/dbraw/zinc/55/22/03/602552203.db2.gz RAMQFXHVONJNDN-ZIAGYGMSSA-N 0 2 395.529 2.839 20 0 GFADLN C[C@H](CNC(=O)[O-])[N@H+](C)CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccco1 ZINC000738939620 602558036 /nfs/dbraw/zinc/55/80/36/602558036.db2.gz NQFQOTCARAOMMT-OCCSQVGLSA-N 0 2 390.465 2.607 20 0 GFADLN C[C@H](CNC(=O)[O-])[N@@H+](C)CC(=O)N1N=C(c2cccs2)C[C@H]1c1ccco1 ZINC000738939620 602558037 /nfs/dbraw/zinc/55/80/37/602558037.db2.gz NQFQOTCARAOMMT-OCCSQVGLSA-N 0 2 390.465 2.607 20 0 GFADLN O=C([O-])NC[C@H](NC(=O)NCc1ccccc1-n1cc[nH+]c1)C1CCCCC1 ZINC000740612416 602621611 /nfs/dbraw/zinc/62/16/11/602621611.db2.gz RSUCQPSXPWPLJD-KRWDZBQOSA-N 0 2 385.468 2.888 20 0 GFADLN O=C([O-])N1CCC[C@@H](CCNC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC000740425420 602651558 /nfs/dbraw/zinc/65/15/58/602651558.db2.gz SVYOCNGLENLNHB-INIZCTEOSA-N 0 2 389.500 2.651 20 0 GFADLN O=C([O-])N1CCC(n2cccc2C(=O)NCC[NH+]2Cc3ccccc3C2)CC1 ZINC000740441455 602698735 /nfs/dbraw/zinc/69/87/35/602698735.db2.gz LZPCVNMFYPSGLV-UHFFFAOYSA-N 0 2 382.464 2.549 20 0 GFADLN C[C@H](c1cccc(NC(=O)c2csc(CNC(=O)[O-])n2)c1)[NH+]1CCOCC1 ZINC000739059802 602703428 /nfs/dbraw/zinc/70/34/28/602703428.db2.gz PUXAPZLPTMBYPJ-GFCCVEGCSA-N 0 2 390.465 2.556 20 0 GFADLN CN(C[C@H]1CCC[N@H+](CC(=O)Nc2nc3ccc(F)cc3s2)C1)C(=O)[O-] ZINC000739636906 602718694 /nfs/dbraw/zinc/71/86/94/602718694.db2.gz MSJVMAFEPYRYMX-LLVKDONJSA-N 0 2 380.445 2.696 20 0 GFADLN CN(C[C@H]1CCC[N@@H+](CC(=O)Nc2nc3ccc(F)cc3s2)C1)C(=O)[O-] ZINC000739636906 602718695 /nfs/dbraw/zinc/71/86/95/602718695.db2.gz MSJVMAFEPYRYMX-LLVKDONJSA-N 0 2 380.445 2.696 20 0 GFADLN CN(CC[NH+]1CCN(C(=O)[O-])CC1)Cc1csc(-c2ccc(F)cc2)n1 ZINC000739684788 602871653 /nfs/dbraw/zinc/87/16/53/602871653.db2.gz PGRIQQDPIKXELK-UHFFFAOYSA-N 0 2 378.473 2.677 20 0 GFADLN C[N@H+](CCN1CCN(C(=O)[O-])CC1)Cc1csc(-c2ccc(F)cc2)n1 ZINC000739684788 602871657 /nfs/dbraw/zinc/87/16/57/602871657.db2.gz PGRIQQDPIKXELK-UHFFFAOYSA-N 0 2 378.473 2.677 20 0 GFADLN C[N@@H+](CCN1CCN(C(=O)[O-])CC1)Cc1csc(-c2ccc(F)cc2)n1 ZINC000739684788 602871662 /nfs/dbraw/zinc/87/16/62/602871662.db2.gz PGRIQQDPIKXELK-UHFFFAOYSA-N 0 2 378.473 2.677 20 0 GFADLN C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N[C@H](CNC(=O)[O-])C3CC3)n2)C1 ZINC000739112015 603073860 /nfs/dbraw/zinc/07/38/60/603073860.db2.gz QXXKSHFMPCNKQG-BXUZGUMPSA-N 0 2 381.502 2.543 20 0 GFADLN C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N[C@H](CNC(=O)[O-])C3CC3)n2)C1 ZINC000739112015 603073862 /nfs/dbraw/zinc/07/38/62/603073862.db2.gz QXXKSHFMPCNKQG-BXUZGUMPSA-N 0 2 381.502 2.543 20 0 GFADLN C[C@@H]1CN(C(=O)Nc2ccccc2OCCn2cc[nH+]c2)C[C@H](C)N1C(=O)[O-] ZINC000739142079 603140134 /nfs/dbraw/zinc/14/01/34/603140134.db2.gz AZFMOKQDQJLSJQ-GASCZTMLSA-N 0 2 387.440 2.567 20 0 GFADLN CC[C@@H](NC(=O)N(C)CC[NH+]1CCN(C(=O)[O-])CC1)c1ccc(Cl)s1 ZINC000739263260 603168589 /nfs/dbraw/zinc/16/85/89/603168589.db2.gz OCLKARHWUACOIG-GFCCVEGCSA-N 0 2 388.921 2.790 20 0 GFADLN O=C([O-])N[C@H](C(=O)NC1CCN(c2cccc[nH+]2)CC1)c1cccc(Cl)c1 ZINC000740530578 603279920 /nfs/dbraw/zinc/27/99/20/603279920.db2.gz SLRNMWXXWCEPDI-KRWDZBQOSA-N 0 2 388.855 2.829 20 0 GFADLN C[C@H](c1cccc(NC(=O)N2CCC[C@H]2CN(C)C(=O)[O-])c1)[NH+]1CCOCC1 ZINC000825629542 603312165 /nfs/dbraw/zinc/31/21/65/603312165.db2.gz DZBXTMSDBFAXFE-QAPCUYQASA-N 0 2 390.484 2.686 20 0 GFADLN O=C([O-])N[C@@H](CC(=O)NCc1ccc(-n2cc[nH+]c2)cc1)Cc1ccccc1 ZINC000832104845 603525272 /nfs/dbraw/zinc/52/52/72/603525272.db2.gz JODHFWLSGUPUEE-GOSISDBHSA-N 0 2 378.432 2.758 20 0 GFADLN C[C@@H]1C[N@H+](Cc2csc(CC(=O)Nc3ccccc3)n2)CC[C@H]1NC(=O)[O-] ZINC000826067060 603565930 /nfs/dbraw/zinc/56/59/30/603565930.db2.gz JGIPKISWSHDXAX-CZUORRHYSA-N 0 2 388.493 2.802 20 0 GFADLN C[C@@H]1C[N@@H+](Cc2csc(CC(=O)Nc3ccccc3)n2)CC[C@H]1NC(=O)[O-] ZINC000826067060 603565935 /nfs/dbraw/zinc/56/59/35/603565935.db2.gz JGIPKISWSHDXAX-CZUORRHYSA-N 0 2 388.493 2.802 20 0 GFADLN O=C([O-])NC[C@H]1CCCC[C@H]1NC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000832516207 603700052 /nfs/dbraw/zinc/70/00/52/603700052.db2.gz UPAOZDBENNUYDS-IAGOWNOFSA-N 0 2 389.500 2.698 20 0 GFADLN C[C@H](C(=O)N(c1nccs1)C1CCCCC1)[N@@H+]1CC[C@@H](N(C)C(=O)[O-])C1 ZINC000823653620 603837953 /nfs/dbraw/zinc/83/79/53/603837953.db2.gz CNMMVBAYLXOOTF-UKRRQHHQSA-N 0 2 380.514 2.881 20 0 GFADLN C[C@H](C(=O)N(c1nccs1)C1CCCCC1)[N@H+]1CC[C@@H](N(C)C(=O)[O-])C1 ZINC000823653620 603837954 /nfs/dbraw/zinc/83/79/54/603837954.db2.gz CNMMVBAYLXOOTF-UKRRQHHQSA-N 0 2 380.514 2.881 20 0 GFADLN Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H](C)[N@@H+]1CC[C@@H](N(C)C(=O)[O-])C1 ZINC000830839472 603842313 /nfs/dbraw/zinc/84/23/13/603842313.db2.gz KYSSHDCAIJFZPB-DOTOQJQBSA-N 0 2 385.468 2.500 20 0 GFADLN Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H](C)[N@H+]1CC[C@@H](N(C)C(=O)[O-])C1 ZINC000830839472 603842319 /nfs/dbraw/zinc/84/23/19/603842319.db2.gz KYSSHDCAIJFZPB-DOTOQJQBSA-N 0 2 385.468 2.500 20 0 GFADLN C[C@@H](NC(=O)[O-])[C@@H]1CCCN(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000825228988 604127289 /nfs/dbraw/zinc/12/72/89/604127289.db2.gz OOIQMUHREFPTJR-UKRRQHHQSA-N 0 2 389.431 2.589 20 0 GFADLN Cn1cc[nH+]c1C[C@@H](NC(=O)N[C@@H]1CCCCN(C(=O)[O-])C1)c1ccccc1 ZINC000831036966 604136005 /nfs/dbraw/zinc/13/60/05/604136005.db2.gz PZMWMHUFDWXTRH-IAGOWNOFSA-N 0 2 385.468 2.536 20 0 GFADLN CN(C[C@H]1CCC[N@@H+]1Cc1csc(CNC(=O)c2ccccc2)n1)C(=O)[O-] ZINC000828230739 604227869 /nfs/dbraw/zinc/22/78/69/604227869.db2.gz ULYGVTRCARTNQC-MRXNPFEDSA-N 0 2 388.493 2.647 20 0 GFADLN CN(C[C@H]1CCC[N@H+]1Cc1csc(CNC(=O)c2ccccc2)n1)C(=O)[O-] ZINC000828230739 604227870 /nfs/dbraw/zinc/22/78/70/604227870.db2.gz ULYGVTRCARTNQC-MRXNPFEDSA-N 0 2 388.493 2.647 20 0 GFADLN O=C([O-])[C@H](c1cccc(Cl)c1)[NH+]1CCN(C(=O)[C@H]2CC2(Cl)Cl)CC1 ZINC000833170084 604345071 /nfs/dbraw/zinc/34/50/71/604345071.db2.gz FFESYMPAEUBKIL-OLZOCXBDSA-N 0 2 391.682 2.804 20 0 GFADLN C[C@H](NC(=O)[O-])c1ccc(CNc2cc(N3CCC[C@@H](CO)C3)nc[nH+]2)cc1 ZINC000825402550 604345950 /nfs/dbraw/zinc/34/59/50/604345950.db2.gz NBSMTTDHGBPBII-GOEBONIOSA-N 0 2 385.468 2.626 20 0 GFADLN C[C@H](NC(=O)[O-])c1ccc(CNc2cc(N3CCC[C@@H](CO)C3)[nH+]cn2)cc1 ZINC000825402550 604345953 /nfs/dbraw/zinc/34/59/53/604345953.db2.gz NBSMTTDHGBPBII-GOEBONIOSA-N 0 2 385.468 2.626 20 0 GFADLN CC[C@@H](c1ccccc1)[N@H+](CC(=O)[O-])CC(=O)Nc1ccc(C(=O)N(C)C)cc1 ZINC000829028512 604652302 /nfs/dbraw/zinc/65/23/02/604652302.db2.gz VIAFYUWGBAXJBU-IBGZPJMESA-N 0 2 397.475 2.865 20 0 GFADLN CC[C@@H](c1ccccc1)[N@@H+](CC(=O)[O-])CC(=O)Nc1ccc(C(=O)N(C)C)cc1 ZINC000829028512 604652307 /nfs/dbraw/zinc/65/23/07/604652307.db2.gz VIAFYUWGBAXJBU-IBGZPJMESA-N 0 2 397.475 2.865 20 0 GFADLN C[C@H](c1nc(Cc2ccc(Cl)cc2)no1)[NH+]1CCC([C@H](O)C(=O)[O-])CC1 ZINC000833549892 604984948 /nfs/dbraw/zinc/98/49/48/604984948.db2.gz HZQHJYRFRYEBAE-BZNIZROVSA-N 0 2 379.844 2.532 20 0 GFADLN O=C([O-])CCc1csc(NC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)n1 ZINC000833240839 604986438 /nfs/dbraw/zinc/98/64/38/604986438.db2.gz QDINELZDXMXECK-UHFFFAOYSA-N 0 2 389.481 2.867 20 0 GFADLN Cc1ccc([C@H](Cn2cc[nH+]c2)NS(=O)(=O)c2ccc(C(=O)[O-])cc2)c(C)c1 ZINC000833748537 605003888 /nfs/dbraw/zinc/00/38/88/605003888.db2.gz CEPVWOQENHWPLB-IBGZPJMESA-N 0 2 399.472 2.918 20 0 GFADLN C[C@@H](c1ccccn1)N(Cc1ccoc1C(=O)[O-])C(=O)[C@H]1CCn2c[nH+]cc2C1 ZINC000833549708 605012445 /nfs/dbraw/zinc/01/24/45/605012445.db2.gz NLBUASLOUMUOHX-GJZGRUSLSA-N 0 2 394.431 2.922 20 0 GFADLN CN(C(=O)C[NH2+][C@@H](C(=O)[O-])c1cccc(Br)c1)C1CCCCC1 ZINC000833685946 605182651 /nfs/dbraw/zinc/18/26/51/605182651.db2.gz NBRLNAXUOIOMQE-MRXNPFEDSA-N 0 2 383.286 2.956 20 0 GFADLN COC(=O)c1cc(C[NH+]2CCN(c3nc4ccccc4o3)CC2)cc(C(=O)[O-])c1 ZINC000833713450 605203976 /nfs/dbraw/zinc/20/39/76/605203976.db2.gz YASPUEHVZRPAKT-UHFFFAOYSA-N 0 2 395.415 2.635 20 0 GFADLN CC[C@@H]1CN(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)CC[C@H]1NC(=O)[O-] ZINC000833850083 605310993 /nfs/dbraw/zinc/31/09/93/605310993.db2.gz VUAYYBXGQKGGMA-IAGOWNOFSA-N 0 2 389.500 2.650 20 0 GFADLN C[C@@H](NC(=O)[O-])[C@H]1C[N@H+](Cc2cccc(NC(=O)OC(C)(C)C)c2)CCO1 ZINC000833820795 605601174 /nfs/dbraw/zinc/60/11/74/605601174.db2.gz UFRBJXDTRPPOHQ-CZUORRHYSA-N 0 2 379.457 2.891 20 0 GFADLN C[C@@H](NC(=O)[O-])[C@H]1C[N@@H+](Cc2cccc(NC(=O)OC(C)(C)C)c2)CCO1 ZINC000833820795 605601176 /nfs/dbraw/zinc/60/11/76/605601176.db2.gz UFRBJXDTRPPOHQ-CZUORRHYSA-N 0 2 379.457 2.891 20 0 GFADLN O=C([O-])NC[C@@H](NC(=O)[C@@H]1CCn2c[nH+]cc2C1)c1ccc2ccccc2c1 ZINC000834209716 605719223 /nfs/dbraw/zinc/71/92/23/605719223.db2.gz JAAYAPWQRXFGQW-IEBWSBKVSA-N 0 2 378.432 2.724 20 0 GFADLN O=C([O-])NC1CC[NH+](CC(=O)Nc2ccc(OC3CCCC3)c(F)c2)CC1 ZINC000832386576 605753383 /nfs/dbraw/zinc/75/33/83/605753383.db2.gz GZFQADZUFMHEIA-UHFFFAOYSA-N 0 2 379.432 2.818 20 0 GFADLN Cc1ccc2[nH+]c(CSCC(=O)N3CC[C@@H](NC(=O)[O-])C[C@H]3C)cn2c1 ZINC000830454051 605761804 /nfs/dbraw/zinc/76/18/04/605761804.db2.gz YZAYGYZMUAGSDB-ZIAGYGMSSA-N 0 2 376.482 2.523 20 0 GFADLN O=C([O-])N1CCc2ccc(NC(=O)N[C@H]3CCN(c4cccc[nH+]4)C3)cc2C1 ZINC000834052002 605977819 /nfs/dbraw/zinc/97/78/19/605977819.db2.gz FSWWHGKNKWMPIY-KRWDZBQOSA-N 0 2 381.436 2.518 20 0 GFADLN O=C([O-])NC1C[C@H]2CCC[C@@H](C1)C2NC(=O)N1CCC[C@H](c2[nH]cc[nH+]2)C1 ZINC000834160348 606016147 /nfs/dbraw/zinc/01/61/47/606016147.db2.gz DQXHUUQMBLJKME-GJROSEKXSA-N 0 2 375.473 2.514 20 0 GFADLN O=C([O-])N[C@@H](Cc1ccccc1)C(=O)N1CCC(CCCn2cc[nH+]c2)CC1 ZINC000834149912 606025051 /nfs/dbraw/zinc/02/50/51/606025051.db2.gz JLMBGSMPENZXKK-IBGZPJMESA-N 0 2 384.480 2.781 20 0 GFADLN O=S(=O)(Nc1cc(-c2nn[nH]n2)ccc1O)c1cc(Cl)cc(Cl)c1 ZINC000823583559 606337873 /nfs/dbraw/zinc/33/78/73/606337873.db2.gz UHBDIFKOOVFBDR-UHFFFAOYSA-N 0 2 386.220 2.680 20 0 GFADLN CC(C)Sc1ccccc1NS(=O)(=O)c1ccc(-c2nn[nH]n2)nc1 ZINC000820183670 607154969 /nfs/dbraw/zinc/15/49/69/607154969.db2.gz IQUYXEBSQIOIQT-UHFFFAOYSA-N 0 2 376.467 2.563 20 0 GFADLN COc1ccc([C@H](C)OC(=O)CCc2c(C)[nH]c(=O)c(-c3nn[nH]n3)c2C)cc1 ZINC000826211547 608168300 /nfs/dbraw/zinc/16/83/00/608168300.db2.gz JKRWQRRNLMRLMU-ZDUSSCGKSA-N 0 2 397.435 2.830 20 0 GFADLN Cc1[nH]c(=O)c(-c2nn[nH]n2)c(C)c1CCC(=O)N1CC[C@]2(CC[C@@H](C)C2)C1 ZINC000826233067 609397776 /nfs/dbraw/zinc/39/77/76/609397776.db2.gz SISGTWDMXCWOQZ-ODXCJYRJSA-N 0 2 384.484 2.555 20 0 GFADLN O=S(=O)(Nc1ccccc1OC(F)(F)F)c1ccc(-c2nn[nH]n2)cc1 ZINC000826492984 609512428 /nfs/dbraw/zinc/51/24/28/609512428.db2.gz NTYQOYMRJHTHCO-UHFFFAOYSA-N 0 2 385.327 2.566 20 0 GFADLN O=C(c1sc(N2CCCC2)nc1Cl)N1CCC[C@H](C2N=NC(=O)O2)C1 ZINC000819965908 660276496 /nfs/dbraw/zinc/27/64/96/660276496.db2.gz ICNLOOKQEFUSFC-VIFPVBQESA-N 0 2 383.861 2.505 20 0 GFADLN C[C@@H]1CN(C)C(=O)CN1Cc1cc(Br)c(O)c(Br)c1 ZINC000825628768 660435568 /nfs/dbraw/zinc/43/55/68/660435568.db2.gz IKBRQCOKFCIRRU-MRVPVSSYSA-N 0 2 392.091 2.580 20 0 GFADLN CC(C)c1ncsc1NS(=O)(=O)c1ccc(F)c(S(C)(=O)=O)c1 ZINC000830172791 660639837 /nfs/dbraw/zinc/63/98/37/660639837.db2.gz JFGHKSLTLMLGSI-UHFFFAOYSA-N 0 2 378.472 2.610 20 0 GFADLN C[C@@]1(NC(=O)C(F)(F)F)CCN(C(=O)c2csc(Br)c2)C1 ZINC000830834559 660682774 /nfs/dbraw/zinc/68/27/74/660682774.db2.gz ZWHNIVZHRFLEQE-LLVKDONJSA-N 0 2 385.205 2.794 20 0 GFADLN CC(C)[C@@H](CO)O[N-]C(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000836892827 660952389 /nfs/dbraw/zinc/95/23/89/660952389.db2.gz RZSQQOWUTOSKOY-CVEARBPZSA-N 0 2 385.302 2.651 20 0 GFADLN NS(=O)(=O)c1ccc(NS(=O)(=O)c2cc(Cl)sc2Cl)cc1 ZINC000020626911 654524832 /nfs/dbraw/zinc/52/48/32/654524832.db2.gz GBKKPXUTVOAPNF-UHFFFAOYSA-N 0 2 387.291 2.503 20 0 GFADLN 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O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)C[N@@H+]1CCC[C@H]1c1ccccn1 ZINC000833106459 601360539 /nfs/dbraw/zinc/36/05/39/601360539.db2.gz SXYZYVPNKYXHLD-PMACEKPBSA-N 0 2 392.459 2.512 20 0 GFADLN O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)C[N@H+]1CCC[C@H]1c1ccccn1 ZINC000833106459 601360541 /nfs/dbraw/zinc/36/05/41/601360541.db2.gz SXYZYVPNKYXHLD-PMACEKPBSA-N 0 2 392.459 2.512 20 0 GFADLN CCOC[C@H]1CC[N@H+](CC(=O)Nc2c(Cl)cc(Cl)cc2C(=O)[O-])C1 ZINC000829989943 601378454 /nfs/dbraw/zinc/37/84/54/601378454.db2.gz OANZYGMXNFNEAF-JTQLQIEISA-N 0 2 375.252 2.989 20 0 GFADLN CCOC[C@H]1CC[N@@H+](CC(=O)Nc2c(Cl)cc(Cl)cc2C(=O)[O-])C1 ZINC000829989943 601378456 /nfs/dbraw/zinc/37/84/56/601378456.db2.gz OANZYGMXNFNEAF-JTQLQIEISA-N 0 2 375.252 2.989 20 0 GFADLN Cc1nccn1C[C@@H]1CCC[N@@H+]1CC(=O)Nc1sc2c(c1C(=O)[O-])CCC2 ZINC000833010905 601384644 /nfs/dbraw/zinc/38/46/44/601384644.db2.gz MUTGWDKSRAOALK-ZDUSSCGKSA-N 0 2 388.493 2.543 20 0 GFADLN Cc1nccn1C[C@@H]1CCC[N@H+]1CC(=O)Nc1sc2c(c1C(=O)[O-])CCC2 ZINC000833010905 601384646 /nfs/dbraw/zinc/38/46/46/601384646.db2.gz MUTGWDKSRAOALK-ZDUSSCGKSA-N 0 2 388.493 2.543 20 0 GFADLN Cc1sc(NC(=O)C[N@@H+]2CC[C@@H](C(=O)OC(C)(C)C)C2)c(C(=O)[O-])c1C ZINC000833033740 601386967 /nfs/dbraw/zinc/38/69/67/601386967.db2.gz GBQRIIJBXZZHKZ-GFCCVEGCSA-N 0 2 382.482 2.665 20 0 GFADLN Cc1sc(NC(=O)C[N@H+]2CC[C@@H](C(=O)OC(C)(C)C)C2)c(C(=O)[O-])c1C ZINC000833033740 601386969 /nfs/dbraw/zinc/38/69/69/601386969.db2.gz GBQRIIJBXZZHKZ-GFCCVEGCSA-N 0 2 382.482 2.665 20 0 GFADLN Cc1sc(NC(=O)C[N@@H+]2CC[C@H](C(=O)OC(C)(C)C)C2)c(C(=O)[O-])c1C ZINC000833033742 601387223 /nfs/dbraw/zinc/38/72/23/601387223.db2.gz GBQRIIJBXZZHKZ-LBPRGKRZSA-N 0 2 382.482 2.665 20 0 GFADLN Cc1sc(NC(=O)C[N@H+]2CC[C@H](C(=O)OC(C)(C)C)C2)c(C(=O)[O-])c1C ZINC000833033742 601387226 /nfs/dbraw/zinc/38/72/26/601387226.db2.gz GBQRIIJBXZZHKZ-LBPRGKRZSA-N 0 2 382.482 2.665 20 0 GFADLN Cc1ccc2oc(N3CC[NH+](Cn4nc(C(=O)[O-])c5ccccc54)CC3)nc2c1 ZINC000832960590 601400603 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XMNZFDDTGHUJQF-UHFFFAOYSA-N 0 2 380.853 2.679 20 0 GFADLN C[N@H+]1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)c2ccccc2C1 ZINC000830960687 601838274 /nfs/dbraw/zinc/83/82/74/601838274.db2.gz XMNZFDDTGHUJQF-UHFFFAOYSA-N 0 2 380.853 2.679 20 0 GFADLN O=C([O-])CCCCNC(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000821518072 601853836 /nfs/dbraw/zinc/85/38/36/601853836.db2.gz RTWBTIKQSXMOJH-INIZCTEOSA-N 0 2 383.286 2.957 20 0 GFADLN O=C([O-])C[C@@H]1CSCC[N@@H+]1Cc1ccc(I)cc1 ZINC000097684136 601891595 /nfs/dbraw/zinc/89/15/95/601891595.db2.gz GXYWCEPPDVTSST-GFCCVEGCSA-N 0 2 377.247 2.683 20 0 GFADLN O=C([O-])C[C@@H]1CSCC[N@H+]1Cc1ccc(I)cc1 ZINC000097684136 601891597 /nfs/dbraw/zinc/89/15/97/601891597.db2.gz GXYWCEPPDVTSST-GFCCVEGCSA-N 0 2 377.247 2.683 20 0 GFADLN Cc1cccc(S(=O)(=O)Nc2ccc(F)cc2OC(F)F)c1-c1nn[nH]n1 ZINC000826304112 607537065 /nfs/dbraw/zinc/53/70/65/607537065.db2.gz WVIDLPDNCNTJEU-UHFFFAOYSA-N 0 2 399.354 2.716 20 0 GFADLN O=C([O-])c1ccc(COC(=O)C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)s1 ZINC000833096763 602011114 /nfs/dbraw/zinc/01/11/14/602011114.db2.gz CDRJMQMPKFSTTN-OAHLLOKOSA-N 0 2 375.446 2.781 20 0 GFADLN O=C([O-])c1ccc(COC(=O)C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)s1 ZINC000833096763 602011116 /nfs/dbraw/zinc/01/11/16/602011116.db2.gz CDRJMQMPKFSTTN-OAHLLOKOSA-N 0 2 375.446 2.781 20 0 GFADLN Cc1cc(C)nc(NS(=O)(=O)c2ccc(-c3nn[nH]n3)c(C(F)(F)F)c2)c1 ZINC000826265559 607539412 /nfs/dbraw/zinc/53/94/12/607539412.db2.gz DYZZSLBSYRFVJU-UHFFFAOYSA-N 0 2 398.370 2.698 20 0 GFADLN CCC(C)(C)[C@H]1CCCN1C(=O)CCc1c(C)[nH]c(=O)c(-c2nn[nH]n2)c1C ZINC000825038734 607547941 /nfs/dbraw/zinc/54/79/41/607547941.db2.gz HDJKHEFNNLABEU-OAHLLOKOSA-N 0 2 386.500 2.944 20 0 GFADLN COc1cc(OC)cc([C@H]([NH2+][C@@H]2CCCN(c3ccccc3)C2=O)C(=O)[O-])c1 ZINC000832052050 602172764 /nfs/dbraw/zinc/17/27/64/602172764.db2.gz ZFOMUMDOAMUDMY-MOPGFXCFSA-N 0 2 384.432 2.615 20 0 GFADLN COc1cc(OC)cc([C@@H]([NH2+][C@@H]2CCCN(c3ccc(C)cc3)C2=O)C(=O)[O-])c1 ZINC000832050516 602174300 /nfs/dbraw/zinc/17/43/00/602174300.db2.gz QQGWPHBPVSXKRQ-WOJBJXKFSA-N 0 2 398.459 2.923 20 0 GFADLN C[C@@H]1CCN(S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)C[C@@H]1n1cc[nH+]c1 ZINC000828295779 602320641 /nfs/dbraw/zinc/32/06/41/602320641.db2.gz PMVLUIUKTFRVJX-RISCZKNCSA-N 0 2 383.857 2.507 20 0 GFADLN CC(C)N(CCCNC(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1)C(=O)[O-] ZINC000738844193 602352717 /nfs/dbraw/zinc/35/27/17/602352717.db2.gz JWDGUJZWRAGDLK-QGZVFWFLSA-N 0 2 379.526 2.671 20 0 GFADLN COc1cc(Cl)c(C)cc1NC(=O)C[NH+]1CCC(CN(C)C(=O)[O-])CC1 ZINC000739858952 602388137 /nfs/dbraw/zinc/38/81/37/602388137.db2.gz CWAHXCYTLBDPCK-UHFFFAOYSA-N 0 2 383.876 2.917 20 0 GFADLN CN(CC1CCN(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)CC1)C(=O)[O-] ZINC000739650143 602414426 /nfs/dbraw/zinc/41/44/26/602414426.db2.gz NDLJPBJRRJNAKT-UHFFFAOYSA-N 0 2 389.500 2.603 20 0 GFADLN C[C@H](NC(=O)[O-])C1CC[NH+](CN2C(=S)N=NC2Cc2cccs2)CC1 ZINC000739014449 602423713 /nfs/dbraw/zinc/42/37/13/602423713.db2.gz JIXMWHIHPRDTBC-NSHDSACASA-N 0 2 381.527 2.545 20 0 GFADLN CN(Cc1cccs1)C(=O)[C@H](Cc1cn(Cc2ccccc2)c[nH+]1)NC(=O)[O-] ZINC000739719173 602492109 /nfs/dbraw/zinc/49/21/09/602492109.db2.gz KIHBRCPKPNZKCN-SFHVURJKSA-N 0 2 398.488 2.830 20 0 GFADLN Cc1ccc(CN(C)C(=O)[C@H](Cc2cn(Cc3ccccc3)c[nH+]2)NC(=O)[O-])o1 ZINC000740123544 602492383 /nfs/dbraw/zinc/49/23/83/602492383.db2.gz VZALRPXFIFHLPA-IBGZPJMESA-N 0 2 396.447 2.670 20 0 GFADLN Cc1cccc(CNC(=O)[C@H](Cc2cn(Cc3ccccc3)c[nH+]2)NC(=O)[O-])c1 ZINC000740166052 602496979 /nfs/dbraw/zinc/49/69/79/602496979.db2.gz IBGYVCJXLGXMFR-FQEVSTJZSA-N 0 2 392.459 2.735 20 0 GFADLN CCSc1ccc([C@@H](C)NC(=O)N(C)CC[NH+]2CCN(C(=O)[O-])CC2)cc1 ZINC000739517960 602632196 /nfs/dbraw/zinc/63/21/96/602632196.db2.gz NDKHYVCVOBZVDB-OAHLLOKOSA-N 0 2 394.541 2.797 20 0 GFADLN Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)c1ccc(CNC(=O)[O-])cc1 ZINC000740126409 602814629 /nfs/dbraw/zinc/81/46/29/602814629.db2.gz MOVGCAWHJIOFQO-UHFFFAOYSA-N 0 2 383.448 2.847 20 0 GFADLN COc1ccccc1[C@@H](NC(=O)[O-])C(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000739966911 602898861 /nfs/dbraw/zinc/89/88/61/602898861.db2.gz MUXNPVDFFQHKCV-GOSISDBHSA-N 0 2 380.404 2.506 20 0 GFADLN O=C([O-])N1CCCC[C@H]1CNC(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000740411665 603140861 /nfs/dbraw/zinc/14/08/61/603140861.db2.gz RCOOMCPKAFAYPZ-HNNXBMFYSA-N 0 2 387.440 2.616 20 0 GFADLN C[C@H]1CN(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)CC[C@H]1NC(=O)[O-] ZINC000739145112 603182320 /nfs/dbraw/zinc/18/23/20/603182320.db2.gz LMWOKFJHKKHIOF-GXTWGEPZSA-N 0 2 381.502 2.639 20 0 GFADLN C[C@@H]1CN(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)CC[C@H]1NC(=O)[O-] ZINC000739145120 603182376 /nfs/dbraw/zinc/18/23/76/603182376.db2.gz LMWOKFJHKKHIOF-TZMCWYRMSA-N 0 2 381.502 2.639 20 0 GFADLN C[C@@H](c1cccc(NC(=O)N2CCC[C@H]2CN(C)C(=O)[O-])c1)[NH+]1CCOCC1 ZINC000825629545 603311952 /nfs/dbraw/zinc/31/19/52/603311952.db2.gz DZBXTMSDBFAXFE-YJBOKZPZSA-N 0 2 390.484 2.686 20 0 GFADLN C[C@@H]1C[N@H+](Cc2nc3cc(C(F)(F)F)ccc3c(=O)[nH]2)CC[C@@H]1NC(=O)[O-] ZINC000739192417 603415918 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C[C@H](C[N@@H+](Cn1nc(N2CCCCC2)n(C2CC2)c1=S)C1CC1)C(=O)[O-] ZINC000736582723 599933769 /nfs/dbraw/zinc/93/37/69/599933769.db2.gz NLNHWCPZLSYIAC-CYBMUJFWSA-N 0 2 379.530 2.882 20 0 GFADLN Cn1cc([C@H]2CCC[N@@H+]2CC(=O)Nc2sc3c(c2C(=O)[O-])CCCC3)cn1 ZINC000739025411 599980718 /nfs/dbraw/zinc/98/07/18/599980718.db2.gz FIJYWKOTGLWWRU-CQSZACIVSA-N 0 2 388.493 2.834 20 0 GFADLN Cn1cc([C@H]2CCC[N@H+]2CC(=O)Nc2sc3c(c2C(=O)[O-])CCCC3)cn1 ZINC000739025411 599980721 /nfs/dbraw/zinc/98/07/21/599980721.db2.gz FIJYWKOTGLWWRU-CQSZACIVSA-N 0 2 388.493 2.834 20 0 GFADLN O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)C[N@@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000739283507 600041661 /nfs/dbraw/zinc/04/16/61/600041661.db2.gz MLSOTSUUDNAXAH-CJNGLKHVSA-N 0 2 397.397 2.554 20 0 GFADLN O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)C[N@H+]1CCC[C@@H](C(F)(F)F)C1 ZINC000739283507 600041663 /nfs/dbraw/zinc/04/16/63/600041663.db2.gz MLSOTSUUDNAXAH-CJNGLKHVSA-N 0 2 397.397 2.554 20 0 GFADLN COc1cccc([C@@H](C)[NH+]2CCN(C(=O)c3ccc(OCC(=O)[O-])cc3)CC2)c1 ZINC000659755544 600076818 /nfs/dbraw/zinc/07/68/18/600076818.db2.gz HCASVQTUIVKKCW-MRXNPFEDSA-N 0 2 398.459 2.678 20 0 GFADLN Cc1[nH]c(C(=O)C[N@@H+]2CCC[C@H](CNC(=O)OC(C)(C)C)C2)c(C)c1C(=O)[O-] ZINC000738154004 600090351 /nfs/dbraw/zinc/09/03/51/600090351.db2.gz QRWRJBQTNJLJJW-CQSZACIVSA-N 0 2 393.484 2.749 20 0 GFADLN Cc1[nH]c(C(=O)C[N@H+]2CCC[C@H](CNC(=O)OC(C)(C)C)C2)c(C)c1C(=O)[O-] ZINC000738154004 600090354 /nfs/dbraw/zinc/09/03/54/600090354.db2.gz QRWRJBQTNJLJJW-CQSZACIVSA-N 0 2 393.484 2.749 20 0 GFADLN COc1cccc([C@@H](C)[NH+]2CCN(CC(=O)c3[nH]c(C)c(C(=O)[O-])c3C)CC2)c1 ZINC000738093023 600105125 /nfs/dbraw/zinc/10/51/25/600105125.db2.gz UIFWALQXBRDJDV-MRXNPFEDSA-N 0 2 399.491 2.900 20 0 GFADLN C[N@H+](CC(=O)Nc1ccc(NC(=O)c2cccs2)cc1)C(C)(C)C(=O)[O-] ZINC000737396153 600134642 /nfs/dbraw/zinc/13/46/42/600134642.db2.gz ABHBXUOBDISWNV-UHFFFAOYSA-N 0 2 375.450 2.734 20 0 GFADLN C[N@@H+](CC(=O)Nc1ccc(NC(=O)c2cccs2)cc1)C(C)(C)C(=O)[O-] ZINC000737396153 600134643 /nfs/dbraw/zinc/13/46/43/600134643.db2.gz ABHBXUOBDISWNV-UHFFFAOYSA-N 0 2 375.450 2.734 20 0 GFADLN Cc1cccc(S(=O)(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)c1C(=O)[O-] ZINC000738744808 600179446 /nfs/dbraw/zinc/17/94/46/600179446.db2.gz OLIQZQQEOZMIBN-UHFFFAOYSA-N 0 2 375.381 2.819 20 0 GFADLN CC(C)C[C@H](NC(=O)[O-])C(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000736424569 600271424 /nfs/dbraw/zinc/27/14/24/600271424.db2.gz XQKRAEBWIPERIN-DYVFJYSZSA-N 0 2 383.439 2.728 20 0 GFADLN CC(C)C[C@H](NC(=O)[O-])C(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000736424569 600271426 /nfs/dbraw/zinc/27/14/26/600271426.db2.gz XQKRAEBWIPERIN-DYVFJYSZSA-N 0 2 383.439 2.728 20 0 GFADLN O=C([O-])[C@H]1CN(C(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)c2ccccc21 ZINC000739597529 600278634 /nfs/dbraw/zinc/27/86/34/600278634.db2.gz DOVFQPFTFFFBEE-PKOBYXMFSA-N 0 2 382.485 2.992 20 0 GFADLN O=C([O-])[C@H]1CC12CC[NH+](CC(=O)Nc1nc(-c3cccs3)cs1)CC2 ZINC000739279112 600303700 /nfs/dbraw/zinc/30/37/00/600303700.db2.gz SYJYCOOVNNQWPN-LLVKDONJSA-N 0 2 377.491 2.997 20 0 GFADLN Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)c1cccc(OCC(=O)[O-])c1 ZINC000659760093 600389510 /nfs/dbraw/zinc/38/95/10/600389510.db2.gz ZLBRSGSKJMAMDW-UHFFFAOYSA-N 0 2 384.432 2.543 20 0 GFADLN C[NH+](C)CCCOc1cccc(NS(=O)(=O)c2ccc(C(=O)[O-])s2)c1 ZINC000737370776 600423353 /nfs/dbraw/zinc/42/33/53/600423353.db2.gz TVKVXFNOMHVGAN-UHFFFAOYSA-N 0 2 384.479 2.578 20 0 GFADLN CCc1ccc(C[NH+]2CCN(C(=O)Nc3nc(CC(=O)[O-])cs3)CC2)s1 ZINC000737264754 600454046 /nfs/dbraw/zinc/45/40/46/600454046.db2.gz KEJMVOXYEYPNMN-UHFFFAOYSA-N 0 2 394.522 2.744 20 0 GFADLN C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)N2CCC[C@@H](C(=O)[O-])C2)C[C@H](C)O1 ZINC000736814736 600477141 /nfs/dbraw/zinc/47/71/41/600477141.db2.gz LFPYJDRTLRYRGK-HLLBOEOZSA-N 0 2 375.469 2.624 20 0 GFADLN C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)N2CCC[C@@H](C(=O)[O-])C2)C[C@H](C)O1 ZINC000736814736 600477144 /nfs/dbraw/zinc/47/71/44/600477144.db2.gz LFPYJDRTLRYRGK-HLLBOEOZSA-N 0 2 375.469 2.624 20 0 GFADLN COCC[N@H+](CCC(=O)[O-])Cc1nc(=O)c2c(-c3ccco3)csc2[nH]1 ZINC000737795396 600641427 /nfs/dbraw/zinc/64/14/27/600641427.db2.gz DUWJELJLXUUTAI-UHFFFAOYSA-N 0 2 377.422 2.580 20 0 GFADLN COCC[N@@H+](CCC(=O)[O-])Cc1nc(=O)c2c(-c3ccco3)csc2[nH]1 ZINC000737795396 600641428 /nfs/dbraw/zinc/64/14/28/600641428.db2.gz DUWJELJLXUUTAI-UHFFFAOYSA-N 0 2 377.422 2.580 20 0 GFADLN COC(=O)c1cc(NC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)ccc1C(=O)[O-] ZINC000831300850 600656093 /nfs/dbraw/zinc/65/60/93/600656093.db2.gz HIEUDAGTMSQONI-UHFFFAOYSA-N 0 2 394.387 2.679 20 0 GFADLN C[C@H]1CCc2c(sc(NC(=O)COC(=O)[C@@H]3CCCC[N@@H+]3C)c2C(=O)[O-])C1 ZINC000737755042 600680535 /nfs/dbraw/zinc/68/05/35/600680535.db2.gz UAMFYKKXTRAVNS-AAEUAGOBSA-N 0 2 394.493 2.537 20 0 GFADLN C[C@H]1CCc2c(sc(NC(=O)COC(=O)[C@@H]3CCCC[N@H+]3C)c2C(=O)[O-])C1 ZINC000737755042 600680537 /nfs/dbraw/zinc/68/05/37/600680537.db2.gz UAMFYKKXTRAVNS-AAEUAGOBSA-N 0 2 394.493 2.537 20 0 GFADLN NC(=[NH+]OCc1cccc(C(=O)NCc2ccco2)c1)c1cccc(C(=O)[O-])c1 ZINC000833077829 600807758 /nfs/dbraw/zinc/80/77/58/600807758.db2.gz CTNUYPQVQTVEQW-UHFFFAOYSA-N 0 2 393.399 2.955 20 0 GFADLN COc1cccc(-c2nc(C[N@H+](CC(=O)[O-])C3CCOCC3)cs2)c1OC ZINC000832514562 600853835 /nfs/dbraw/zinc/85/38/35/600853835.db2.gz GMOBQYYLIJRCNO-UHFFFAOYSA-N 0 2 392.477 2.893 20 0 GFADLN COc1cccc(-c2nc(C[N@@H+](CC(=O)[O-])C3CCOCC3)cs2)c1OC ZINC000832514562 600853836 /nfs/dbraw/zinc/85/38/36/600853836.db2.gz GMOBQYYLIJRCNO-UHFFFAOYSA-N 0 2 392.477 2.893 20 0 GFADLN COC(=O)C[C@@H]1CSCC[N@@H+]1Cc1csc(-c2cccc(C(=O)[O-])c2)n1 ZINC000831147581 601023987 /nfs/dbraw/zinc/02/39/87/601023987.db2.gz FJRSEUQXHVWOLW-OAHLLOKOSA-N 0 2 392.502 2.989 20 0 GFADLN COC(=O)C[C@@H]1CSCC[N@H+]1Cc1csc(-c2cccc(C(=O)[O-])c2)n1 ZINC000831147581 601023989 /nfs/dbraw/zinc/02/39/89/601023989.db2.gz FJRSEUQXHVWOLW-OAHLLOKOSA-N 0 2 392.502 2.989 20 0 GFADLN O=C([O-])c1ccc(S(=O)(=O)N2C[C@@H](n3cc[nH+]c3)Cc3ccccc32)cc1 ZINC000738688625 601118028 /nfs/dbraw/zinc/11/80/28/601118028.db2.gz BAQKYWLXIGFTKC-INIZCTEOSA-N 0 2 383.429 2.574 20 0 GFADLN O=C([O-])c1cccc(NC(=O)C[N@@H+]2CCCC[C@@H]2CNC(=O)c2ccccc2)c1 ZINC000833107059 601120234 /nfs/dbraw/zinc/12/02/34/601120234.db2.gz XTRFPOPLPUGEPP-LJQANCHMSA-N 0 2 395.459 2.608 20 0 GFADLN O=C([O-])c1cccc(NC(=O)C[N@H+]2CCCC[C@@H]2CNC(=O)c2ccccc2)c1 ZINC000833107059 601120235 /nfs/dbraw/zinc/12/02/35/601120235.db2.gz XTRFPOPLPUGEPP-LJQANCHMSA-N 0 2 395.459 2.608 20 0 GFADLN O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)C[N@@H+]1CC[C@H]1c1ccccc1 ZINC000833106035 601221852 /nfs/dbraw/zinc/22/18/52/601221852.db2.gz OWYMWBDKFZTWNM-PMACEKPBSA-N 0 2 377.444 2.727 20 0 GFADLN O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)C[N@H+]1CC[C@H]1c1ccccc1 ZINC000833106035 601221854 /nfs/dbraw/zinc/22/18/54/601221854.db2.gz OWYMWBDKFZTWNM-PMACEKPBSA-N 0 2 377.444 2.727 20 0 GFADLN Cc1cc(C(=O)[O-])cc(S(=O)(=O)NCc2ccc(-n3cc[nH+]c3)cc2)c1C ZINC000832868327 601228859 /nfs/dbraw/zinc/22/88/59/601228859.db2.gz OKCLARRCCYPHQT-UHFFFAOYSA-N 0 2 385.445 2.666 20 0 GFADLN CCOc1ccccc1N1CC[NH+](Cn2nc(C(=O)[O-])c3ccccc32)CC1 ZINC000830109930 601396421 /nfs/dbraw/zinc/39/64/21/601396421.db2.gz SNSRLXJVVXVSCL-UHFFFAOYSA-N 0 2 380.448 2.913 20 0 GFADLN Cc1cc(C(=O)C[N@@H+](CC(=O)[O-])C(C)C)c(C)n1Cc1ccc2c(c1)OCO2 ZINC000832859834 601594080 /nfs/dbraw/zinc/59/40/80/601594080.db2.gz ZGXJZFIHMMOGTC-UHFFFAOYSA-N 0 2 386.448 2.860 20 0 GFADLN Cc1cc(C(=O)C[N@H+](CC(=O)[O-])C(C)C)c(C)n1Cc1ccc2c(c1)OCO2 ZINC000832859834 601594081 /nfs/dbraw/zinc/59/40/81/601594081.db2.gz ZGXJZFIHMMOGTC-UHFFFAOYSA-N 0 2 386.448 2.860 20 0 GFADLN Cc1cc(C(=O)N2CCC([N@H+](C)CC(F)F)CC2)cc(C)c1OCC(=O)[O-] ZINC000832860496 601690845 /nfs/dbraw/zinc/69/08/45/601690845.db2.gz DLTVJRFLICGODW-UHFFFAOYSA-N 0 2 384.423 2.568 20 0 GFADLN Cc1cc(C(=O)N2CCC([N@@H+](C)CC(F)F)CC2)cc(C)c1OCC(=O)[O-] ZINC000832860496 601690846 /nfs/dbraw/zinc/69/08/46/601690846.db2.gz DLTVJRFLICGODW-UHFFFAOYSA-N 0 2 384.423 2.568 20 0 GFADLN O=C([O-])[C@H](NC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1)C1CCCCC1 ZINC000833104090 601752945 /nfs/dbraw/zinc/75/29/45/601752945.db2.gz XYQJEPNNXVXPFF-LJQANCHMSA-N 0 2 398.463 2.675 20 0 GFADLN C[C@H]1C[N@H+](Cn2[nH]c(-c3ccccc3Br)nc2=S)C[C@@H]1C(=O)[O-] ZINC000828461673 601816799 /nfs/dbraw/zinc/81/67/99/601816799.db2.gz BHNDLCYOVVSGSJ-ONGXEEELSA-N 0 2 397.298 2.980 20 0 GFADLN C[C@H]1C[N@@H+](Cn2[nH]c(-c3ccccc3Br)nc2=S)C[C@@H]1C(=O)[O-] ZINC000828461673 601816800 /nfs/dbraw/zinc/81/68/00/601816800.db2.gz BHNDLCYOVVSGSJ-ONGXEEELSA-N 0 2 397.298 2.980 20 0 GFADLN Cn1cc[nH+]c1C[C@H](NC(=O)N1CCC(CCC(=O)[O-])CC1)c1ccccc1 ZINC000833058998 601829003 /nfs/dbraw/zinc/82/90/03/601829003.db2.gz TVPUBFGMTLPIFJ-SFHVURJKSA-N 0 2 384.480 2.990 20 0 GFADLN O=C([O-])c1c(F)cccc1S(=O)(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000833293862 601847913 /nfs/dbraw/zinc/84/79/13/601847913.db2.gz BMQPEEDHMUMLGU-UHFFFAOYSA-N 0 2 379.344 2.650 20 0 GFADLN COC(=O)[C@]1(C)CC[N@H+](CC(=O)Nc2c(Cl)cc(Cl)cc2C(=O)[O-])C1 ZINC000831089943 601948455 /nfs/dbraw/zinc/94/84/55/601948455.db2.gz SUMONPZRIATZRF-MRXNPFEDSA-N 0 2 389.235 2.515 20 0 GFADLN COC(=O)[C@]1(C)CC[N@@H+](CC(=O)Nc2c(Cl)cc(Cl)cc2C(=O)[O-])C1 ZINC000831089943 601948458 /nfs/dbraw/zinc/94/84/58/601948458.db2.gz SUMONPZRIATZRF-MRXNPFEDSA-N 0 2 389.235 2.515 20 0 GFADLN C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)NCCN(C(=O)[O-])C3CC3)n2)C1 ZINC000739111496 602056501 /nfs/dbraw/zinc/05/65/01/602056501.db2.gz PWKKVDFOPIGCEZ-GFCCVEGCSA-N 0 2 381.502 2.639 20 0 GFADLN C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)NCCN(C(=O)[O-])C3CC3)n2)C1 ZINC000739111496 602056504 /nfs/dbraw/zinc/05/65/04/602056504.db2.gz PWKKVDFOPIGCEZ-GFCCVEGCSA-N 0 2 381.502 2.639 20 0 GFADLN Cc1[nH]c(C(=O)N2CC[C@H]([N@@H+](C)Cc3ncc(C(C)C)o3)C2)c(C)c1C(=O)[O-] ZINC000832843512 602317518 /nfs/dbraw/zinc/31/75/18/602317518.db2.gz OHDMCPWQNVRMSQ-AWEZNQCLSA-N 0 2 388.468 2.788 20 0 GFADLN Cc1[nH]c(C(=O)N2CC[C@H]([N@H+](C)Cc3ncc(C(C)C)o3)C2)c(C)c1C(=O)[O-] ZINC000832843512 602317522 /nfs/dbraw/zinc/31/75/22/602317522.db2.gz OHDMCPWQNVRMSQ-AWEZNQCLSA-N 0 2 388.468 2.788 20 0 GFADLN C[C@@H]1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)C[C@H]1n1cc[nH+]c1 ZINC000828295446 602320424 /nfs/dbraw/zinc/32/04/24/602320424.db2.gz HJSOJKOLVMFHER-IAQYHMDHSA-N 0 2 383.857 2.507 20 0 GFADLN C[C@H]1CCN(S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)C[C@@H]1n1cc[nH+]c1 ZINC000828295252 602320695 /nfs/dbraw/zinc/32/06/95/602320695.db2.gz CHRFIKFIHRIQRF-FZMZJTMJSA-N 0 2 383.857 2.507 20 0 GFADLN O=C([O-])N1[C@H](C(=O)NCc2ccccc2Cn2cc[nH+]c2)C[C@@H]2CCCC[C@@H]21 ZINC000740449110 602366088 /nfs/dbraw/zinc/36/60/88/602366088.db2.gz GPXPPZVXEOZNGU-SNRMKQJTSA-N 0 2 382.464 2.859 20 0 GFADLN CN(C[C@H]1CC[N@H+](Cc2nc3cc(C(F)(F)F)ccc3c(=O)[nH]2)C1)C(=O)[O-] ZINC000739663693 602541255 /nfs/dbraw/zinc/54/12/55/602541255.db2.gz AKRKRFOPDMZVPY-SNVBAGLBSA-N 0 2 384.358 2.786 20 0 GFADLN CN(C[C@H]1CC[N@@H+](Cc2nc3cc(C(F)(F)F)ccc3c(=O)[nH]2)C1)C(=O)[O-] ZINC000739663693 602541256 /nfs/dbraw/zinc/54/12/56/602541256.db2.gz 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C[C@H]1C[N@H+](Cn2nc(COc3ccc(Cl)cc3)n(C)c2=S)C[C@@H]1C(=O)[O-] ZINC000828471311 601819190 /nfs/dbraw/zinc/81/91/90/601819190.db2.gz NCUJRYSLXOUSSN-FZMZJTMJSA-N 0 2 396.900 2.793 20 0 GFADLN C[C@H]1C[N@@H+](Cn2nc(COc3ccc(Cl)cc3)n(C)c2=S)C[C@@H]1C(=O)[O-] ZINC000828471311 601819192 /nfs/dbraw/zinc/81/91/92/601819192.db2.gz NCUJRYSLXOUSSN-FZMZJTMJSA-N 0 2 396.900 2.793 20 0 GFADLN C[C@@H]1C[N@H+](CN2C(=O)CN(c3cccc(C(=O)[O-])c3)C2=O)[C@@H]1c1ccccc1 ZINC000828448986 601881378 /nfs/dbraw/zinc/88/13/78/601881378.db2.gz HVGBDKQZMIPVKB-KUHUBIRLSA-N 0 2 379.416 2.804 20 0 GFADLN C[C@@H]1C[N@@H+](CN2C(=O)CN(c3cccc(C(=O)[O-])c3)C2=O)[C@@H]1c1ccccc1 ZINC000828448986 601881382 /nfs/dbraw/zinc/88/13/82/601881382.db2.gz HVGBDKQZMIPVKB-KUHUBIRLSA-N 0 2 379.416 2.804 20 0 GFADLN C[C@@H](C(=O)Nc1cccc(F)c1)N1CC[NH+](Cc2ccc(C(=O)[O-])s2)CC1 ZINC000826021774 601942841 /nfs/dbraw/zinc/94/28/41/601942841.db2.gz SOAZNVZXZYZYIH-ZDUSSCGKSA-N 0 2 391.468 2.730 20 0 GFADLN Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](CNC(=O)[O-])C2)c(Br)c1 ZINC000740134594 601951218 /nfs/dbraw/zinc/95/12/18/601951218.db2.gz NNWLTNVZGRHFDN-RYUDHWBXSA-N 0 2 384.274 2.674 20 0 GFADLN Cc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](CNC(=O)[O-])C2)c(Br)c1 ZINC000740134594 601951220 /nfs/dbraw/zinc/95/12/20/601951220.db2.gz NNWLTNVZGRHFDN-RYUDHWBXSA-N 0 2 384.274 2.674 20 0 GFADLN O=C([O-])c1ccc(COC(=O)C[C@H]2C[N@H+](Cc3ccccc3)CCO2)s1 ZINC000833096762 602011150 /nfs/dbraw/zinc/01/11/50/602011150.db2.gz CDRJMQMPKFSTTN-HNNXBMFYSA-N 0 2 375.446 2.781 20 0 GFADLN O=C([O-])c1ccc(COC(=O)C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)s1 ZINC000833096762 602011153 /nfs/dbraw/zinc/01/11/53/602011153.db2.gz CDRJMQMPKFSTTN-HNNXBMFYSA-N 0 2 375.446 2.781 20 0 GFADLN C[C@@H](NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000738979091 602082738 /nfs/dbraw/zinc/08/27/38/602082738.db2.gz MMATYGABPLZEMA-QAPCUYQASA-N 0 2 385.468 2.509 20 0 GFADLN C[C@H]1C[N@H+](Cn2nc(-c3ccccn3)n(Cc3ccco3)c2=S)C[C@H]1C(=O)[O-] ZINC000828462255 602198305 /nfs/dbraw/zinc/19/83/05/602198305.db2.gz IPXWIAOHFPTCHY-DZGCQCFKSA-N 0 2 399.476 2.727 20 0 GFADLN C[C@H]1C[N@@H+](Cn2nc(-c3ccccn3)n(Cc3ccco3)c2=S)C[C@H]1C(=O)[O-] ZINC000828462255 602198306 /nfs/dbraw/zinc/19/83/06/602198306.db2.gz IPXWIAOHFPTCHY-DZGCQCFKSA-N 0 2 399.476 2.727 20 0 GFADLN C[C@@H]1CCN(S(=O)(=O)c2ccc(C(=O)[O-])cc2Cl)C[C@H]1n1cc[nH+]c1 ZINC000828295775 602320478 /nfs/dbraw/zinc/32/04/78/602320478.db2.gz PMVLUIUKTFRVJX-BXUZGUMPSA-N 0 2 383.857 2.507 20 0 GFADLN Cn1cc(NC(=O)N[C@@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)cc1C(=O)[O-] ZINC000833050747 602370772 /nfs/dbraw/zinc/37/07/72/602370772.db2.gz MEMGNXBZBXMMFE-GFCCVEGCSA-N 0 2 392.406 2.788 20 0 GFADLN Cn1cc(NC(=O)N[C@@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)cc1C(=O)[O-] ZINC000833050747 602370775 /nfs/dbraw/zinc/37/07/75/602370775.db2.gz MEMGNXBZBXMMFE-GFCCVEGCSA-N 0 2 392.406 2.788 20 0 GFADLN COc1cccc2sc(NC(=O)C[NH+]3CCC([C@H](C)NC(=O)[O-])CC3)nc21 ZINC000739961254 602449398 /nfs/dbraw/zinc/44/93/98/602449398.db2.gz URZRXSJBJGXXTQ-NSHDSACASA-N 0 2 392.481 2.612 20 0 GFADLN CN1CC[NH+](Cc2cccc(NC(=O)c3ccc(F)c(NC(=O)[O-])c3)c2)CC1 ZINC000739736894 602486451 /nfs/dbraw/zinc/48/64/51/602486451.db2.gz SBUVZJKPBKXPQB-UHFFFAOYSA-N 0 2 386.427 2.915 20 0 GFADLN Cc1ccc(CNC(=O)[C@H](Cc2cn(Cc3ccccc3)c[nH+]2)NC(=O)[O-])cc1 ZINC000740128583 602491503 /nfs/dbraw/zinc/49/15/03/602491503.db2.gz AMBHKGDKXRJCTA-FQEVSTJZSA-N 0 2 392.459 2.735 20 0 GFADLN O=C([O-])Nc1ccc(NC(=O)NCc2ccccc2C[NH+]2CCOCC2)cc1 ZINC000740710956 602603046 /nfs/dbraw/zinc/60/30/46/602603046.db2.gz OACZKBHOPZGQRW-UHFFFAOYSA-N 0 2 384.436 2.930 20 0 GFADLN C[C@H](c1cccc(NC(=O)N2CCC[C@H](CNC(=O)[O-])C2)c1)[NH+]1CCOCC1 ZINC000739059054 602603995 /nfs/dbraw/zinc/60/39/95/602603995.db2.gz QXJIBVZBYLHWQP-HZPDHXFCSA-N 0 2 390.484 2.591 20 0 GFADLN C[C@H](c1cccc(NC(=O)N2CCC[C@@H](CNC(=O)[O-])C2)c1)[NH+]1CCOCC1 ZINC000739059050 602604255 /nfs/dbraw/zinc/60/42/55/602604255.db2.gz QXJIBVZBYLHWQP-CVEARBPZSA-N 0 2 390.484 2.591 20 0 GFADLN CCN(CCCNC(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1)C(=O)[O-] ZINC000739420147 602604430 /nfs/dbraw/zinc/60/44/30/602604430.db2.gz QQMKKFYYPCKLSZ-HNNXBMFYSA-N 0 2 378.473 2.591 20 0 GFADLN C[C@@H](C(=O)N(C)CC[NH+]1CCN(C(=O)[O-])CC1)c1ccccc1C(F)(F)F ZINC000738601748 602889807 /nfs/dbraw/zinc/88/98/07/602889807.db2.gz LUUAUQJUGHFDOT-CYBMUJFWSA-N 0 2 387.402 2.563 20 0 GFADLN O=C([O-])NC1(C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)Cc2ccccc2C1 ZINC000740540818 603079066 /nfs/dbraw/zinc/07/90/66/603079066.db2.gz BZAZCQIJUPMZPB-UHFFFAOYSA-N 0 2 380.379 2.755 20 0 GFADLN O=C([O-])N1CC[C@@H](C(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)C1 ZINC000740404506 603277637 /nfs/dbraw/zinc/27/76/37/603277637.db2.gz AZEYGADVJSEULY-IUODEOHRSA-N 0 2 383.851 2.732 20 0 GFADLN O=C([O-])N1CC[C@@H](C(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)C1 ZINC000740404503 603277802 /nfs/dbraw/zinc/27/78/02/603277802.db2.gz AZEYGADVJSEULY-DOMZBBRYSA-N 0 2 383.851 2.732 20 0 GFADLN C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N2CCC[C@H]2CNC(=O)[O-])C[C@@H](C)O1 ZINC000826067981 603283299 /nfs/dbraw/zinc/28/32/99/603283299.db2.gz MQAZWSKZZDTYOV-INMHGKMJSA-N 0 2 390.484 2.560 20 0 GFADLN C[C@@H](NC(=O)[O-])c1ccc(NC(=O)N2CCCC[C@H]2C[NH+]2CCOCC2)cc1 ZINC000825426884 603379806 /nfs/dbraw/zinc/37/98/06/603379806.db2.gz LPEKRQUQBXWGOD-QAPCUYQASA-N 0 2 390.484 2.734 20 0 GFADLN C[C@@H](NC(=O)N1CCC(CN(C)C(=O)[O-])CC1)c1cccc(-n2cc[nH+]c2)c1 ZINC000825138126 603437069 /nfs/dbraw/zinc/43/70/69/603437069.db2.gz ZSBGQOCJEZRIGP-OAHLLOKOSA-N 0 2 385.468 2.965 20 0 GFADLN CCN(CC1CC[NH+](CCS(=O)(=O)c2ccc(Cl)cc2)CC1)C(=O)[O-] ZINC000827099041 603514263 /nfs/dbraw/zinc/51/42/63/603514263.db2.gz KBRHQOKMNHZDFE-UHFFFAOYSA-N 0 2 388.917 2.826 20 0 GFADLN C[C@H]1CCC[N@H+](CC(=O)N(Cc2ccco2)CC(F)(F)F)[C@@H]1CNC(=O)[O-] ZINC000825919670 603729551 /nfs/dbraw/zinc/72/95/51/603729551.db2.gz QQUKCXNMTOZNDP-GXTWGEPZSA-N 0 2 391.390 2.539 20 0 GFADLN C[C@H]1CCC[N@@H+](CC(=O)N(Cc2ccco2)CC(F)(F)F)[C@@H]1CNC(=O)[O-] ZINC000825919670 603729554 /nfs/dbraw/zinc/72/95/54/603729554.db2.gz QQUKCXNMTOZNDP-GXTWGEPZSA-N 0 2 391.390 2.539 20 0 GFADLN COC(=O)c1cccc(-c2nc(C[N@@H+]3CC[C@@H](N(C)C(=O)[O-])C3)cs2)c1 ZINC000828793766 603816372 /nfs/dbraw/zinc/81/63/72/603816372.db2.gz LWHDBKCOQHECIS-OAHLLOKOSA-N 0 2 375.450 2.781 20 0 GFADLN COC(=O)c1cccc(-c2nc(C[N@H+]3CC[C@@H](N(C)C(=O)[O-])C3)cs2)c1 ZINC000828793766 603816376 /nfs/dbraw/zinc/81/63/76/603816376.db2.gz LWHDBKCOQHECIS-OAHLLOKOSA-N 0 2 375.450 2.781 20 0 GFADLN Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H](C)[N@@H+]1CC[C@H](N(C)C(=O)[O-])C1 ZINC000830839474 603842253 /nfs/dbraw/zinc/84/22/53/603842253.db2.gz KYSSHDCAIJFZPB-RDJZCZTQSA-N 0 2 385.468 2.500 20 0 GFADLN Cc1nn(-c2ccccc2)c(C)c1NC(=O)[C@H](C)[N@H+]1CC[C@H](N(C)C(=O)[O-])C1 ZINC000830839474 603842255 /nfs/dbraw/zinc/84/22/55/603842255.db2.gz KYSSHDCAIJFZPB-RDJZCZTQSA-N 0 2 385.468 2.500 20 0 GFADLN C[C@H](NC(=O)NC1C[C@H]2CC[C@@H](C1)N2C(=O)[O-])c1cccc(-n2cc[nH+]c2)c1 ZINC000825155345 603878909 /nfs/dbraw/zinc/87/89/09/603878909.db2.gz BYGCWZHPASOFKX-ZVRJUHEZSA-N 0 2 383.452 2.906 20 0 GFADLN COC[C@H](C)n1c(C)cc(C(=O)C[N@@H+]2CC[C@H]3CC[C@@H](C2)N3C(=O)[O-])c1C ZINC000828905197 603984529 /nfs/dbraw/zinc/98/45/29/603984529.db2.gz ZQMYUTVKPJJRPQ-UAGQMJEPSA-N 0 2 377.485 2.712 20 0 GFADLN COC[C@H](C)n1c(C)cc(C(=O)C[N@H+]2CC[C@H]3CC[C@@H](C2)N3C(=O)[O-])c1C ZINC000828905197 603984532 /nfs/dbraw/zinc/98/45/32/603984532.db2.gz ZQMYUTVKPJJRPQ-UAGQMJEPSA-N 0 2 377.485 2.712 20 0 GFADLN O=C([O-])NC[C@@H]1CCC[N@@H+]1Cc1nnc(-c2ccc(Br)s2)o1 ZINC000832576915 604089969 /nfs/dbraw/zinc/08/99/69/604089969.db2.gz BEWPZLZGXCWTKV-QMMMGPOBSA-N 0 2 387.259 2.793 20 0 GFADLN O=C([O-])NC[C@@H]1CCC[N@H+]1Cc1nnc(-c2ccc(Br)s2)o1 ZINC000832576915 604089970 /nfs/dbraw/zinc/08/99/70/604089970.db2.gz BEWPZLZGXCWTKV-QMMMGPOBSA-N 0 2 387.259 2.793 20 0 GFADLN CC(C)c1cnc(C[N@H+](C)[C@@H]2CCN(C(=O)CCC(C)(C)NC(=O)[O-])C2)o1 ZINC000824476610 604307059 /nfs/dbraw/zinc/30/70/59/604307059.db2.gz ORBPCUOJJKGNHY-CQSZACIVSA-N 0 2 380.489 2.657 20 0 GFADLN CC(C)c1cnc(C[N@@H+](C)[C@@H]2CCN(C(=O)CCC(C)(C)NC(=O)[O-])C2)o1 ZINC000824476610 604307062 /nfs/dbraw/zinc/30/70/62/604307062.db2.gz ORBPCUOJJKGNHY-CQSZACIVSA-N 0 2 380.489 2.657 20 0 GFADLN Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)[NH+]1CCC([C@H](O)C(F)(F)F)CC1 ZINC000832917101 604370486 /nfs/dbraw/zinc/37/04/86/604370486.db2.gz NRCSEDLAVXWBPJ-NHYWBVRUSA-N 0 2 388.386 2.655 20 0 GFADLN Cc1ccc(C)c(N2CC[NH+](CC(=O)N(C)c3ccccc3C(=O)[O-])CC2)c1 ZINC000832926168 604373949 /nfs/dbraw/zinc/37/39/49/604373949.db2.gz PBQZFTPGOMJVGR-UHFFFAOYSA-N 0 2 381.476 2.787 20 0 GFADLN COC(=O)[C@H](c1cccc(C(=O)[O-])c1)[NH+]1CCC(C(=O)Nc2ccccc2)CC1 ZINC000833702723 604472838 /nfs/dbraw/zinc/47/28/38/604472838.db2.gz YJKIDPGNTAJDOL-IBGZPJMESA-N 0 2 396.443 2.950 20 0 GFADLN C[C@@H]1CN(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)C[C@H]1C(=O)[O-] ZINC000833621601 604513444 /nfs/dbraw/zinc/51/34/44/604513444.db2.gz JNQWMKYWHQJCNW-QTDMDRALSA-N 0 2 383.851 2.586 20 0 GFADLN C[C@@H]1CN(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)C[C@H]1C(=O)[O-] ZINC000833621601 604513448 /nfs/dbraw/zinc/51/34/48/604513448.db2.gz JNQWMKYWHQJCNW-QTDMDRALSA-N 0 2 383.851 2.586 20 0 GFADLN Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)Nc1ccc(CNC(=O)[O-])cc1 ZINC000833001836 604537297 /nfs/dbraw/zinc/53/72/97/604537297.db2.gz ZHBRWLRTDCROFL-UHFFFAOYSA-N 0 2 385.424 2.638 20 0 GFADLN C[C@@H](Oc1ccc(C[N@@H+]2CCN(C(=O)OC(C)(C)C)C[C@H]2C)cc1)C(=O)[O-] ZINC000833539518 604633231 /nfs/dbraw/zinc/63/32/31/604633231.db2.gz GUUZGERBVFLLAC-HUUCEWRRSA-N 0 2 378.469 2.980 20 0 GFADLN C[C@@H](Oc1ccc(C[N@H+]2CCN(C(=O)OC(C)(C)C)C[C@H]2C)cc1)C(=O)[O-] ZINC000833539518 604633235 /nfs/dbraw/zinc/63/32/35/604633235.db2.gz GUUZGERBVFLLAC-HUUCEWRRSA-N 0 2 378.469 2.980 20 0 GFADLN CC[C@H](c1ccccc1)[N@H+](CC(=O)[O-])CC(=O)NC(=O)NCc1ccccc1 ZINC000829026112 604650714 /nfs/dbraw/zinc/65/07/14/604650714.db2.gz GTTAKDFLDCWLQH-GOSISDBHSA-N 0 2 383.448 2.550 20 0 GFADLN CC[C@H](c1ccccc1)[N@@H+](CC(=O)[O-])CC(=O)NC(=O)NCc1ccccc1 ZINC000829026112 604650718 /nfs/dbraw/zinc/65/07/18/604650718.db2.gz GTTAKDFLDCWLQH-GOSISDBHSA-N 0 2 383.448 2.550 20 0 GFADLN C[C@@H](c1cccc(F)c1)[NH+]1CCN(CC(=O)N(C)c2ccccc2C(=O)[O-])CC1 ZINC000833549531 604718251 /nfs/dbraw/zinc/71/82/51/604718251.db2.gz ZRCSYGNTHOBWOY-INIZCTEOSA-N 0 2 399.466 2.866 20 0 GFADLN CC(=O)N(c1nn(C[N@@H+]2CCC[C@@H](C(C)(C)C(=O)[O-])C2)c(=S)s1)C1CC1 ZINC000833392448 604862695 /nfs/dbraw/zinc/86/26/95/604862695.db2.gz IEZLXGLVPYOOGI-GFCCVEGCSA-N 0 2 398.554 2.970 20 0 GFADLN CC(=O)N(c1nn(C[N@H+]2CCC[C@@H](C(C)(C)C(=O)[O-])C2)c(=S)s1)C1CC1 ZINC000833392448 604862699 /nfs/dbraw/zinc/86/26/99/604862699.db2.gz IEZLXGLVPYOOGI-GFCCVEGCSA-N 0 2 398.554 2.970 20 0 GFADLN 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COc1cc(Br)cc(S(=O)(=O)Nc2nnc(C(C)(C)C)o2)c1 ZINC000194789042 553029674 /nfs/dbraw/zinc/02/96/74/553029674.db2.gz FFXYTHSQUXDGGT-UHFFFAOYSA-N 0 2 390.259 2.939 20 0 GFADLN COc1ccc(S(=O)(=O)Nc2nc(CN3CCC(C)CC3)cs2)cn1 ZINC000194787778 553029721 /nfs/dbraw/zinc/02/97/21/553029721.db2.gz AWYHLCUBICZYEU-UHFFFAOYSA-N 0 2 382.511 2.579 20 0 GFADLN CCCCCc1nnc(NS(=O)(=O)c2ccc(C(=O)N(C)C)cc2)s1 ZINC000194795438 553030586 /nfs/dbraw/zinc/03/05/86/553030586.db2.gz XRZTYTJFEWBXRR-UHFFFAOYSA-N 0 2 382.511 2.773 20 0 GFADLN O=C(NCC1CCOCC1)c1cccc(NS(=O)(=O)c2cccs2)c1 ZINC000194974659 553034829 /nfs/dbraw/zinc/03/48/29/553034829.db2.gz JQTFKKCCUUOCDM-UHFFFAOYSA-N 0 2 380.491 2.705 20 0 GFADLN CCOCc1nnc(NS(=O)(=O)c2ccc(Br)c(Cl)c2)o1 ZINC000194964893 553034860 /nfs/dbraw/zinc/03/48/60/553034860.db2.gz GRXXZAKAIJESHW-UHFFFAOYSA-N 0 2 396.650 2.823 20 0 GFADLN COCc1ccc(OC)c(S(=O)(=O)Nc2ccc(Br)cn2)c1 ZINC000506824280 564212949 /nfs/dbraw/zinc/21/29/49/564212949.db2.gz WEDNMZZFMVRYIV-UHFFFAOYSA-N 0 2 387.255 2.800 20 0 GFADLN O=C(c1cc(Br)c(F)cc1O)N1CCOCC2(CCOCC2)C1 ZINC000294924301 563222340 /nfs/dbraw/zinc/22/23/40/563222340.db2.gz KEOIZQUSYHVUAX-UHFFFAOYSA-N 0 2 388.233 2.563 20 0 GFADLN O=C(Cc1cc[nH]c(=O)c1Br)N=c1nc(-c2ccsc2)[nH]s1 ZINC000370458857 563244036 /nfs/dbraw/zinc/24/40/36/563244036.db2.gz FDUGLKGUCVEPAG-UHFFFAOYSA-N 0 2 397.279 2.733 20 0 GFADLN CCNC(=O)C[C@@H]1CCCCN1C(=O)c1cc(Br)c(F)cc1O ZINC000295557863 563253614 /nfs/dbraw/zinc/25/36/14/563253614.db2.gz SWPZAUBHTOGMCA-JTQLQIEISA-N 0 2 387.249 2.815 20 0 GFADLN C[C@H](CCO)CCNC(=O)c1cccc(NS(=O)(=O)c2cccs2)c1 ZINC000295563987 563253796 /nfs/dbraw/zinc/25/37/96/563253796.db2.gz MZVWMVYLLWJJRQ-ZDUSSCGKSA-N 0 2 382.507 2.687 20 0 GFADLN CCOC(=O)[C@@H](C(=O)CSc1nccn2ccnc12)c1nc(C)cs1 ZINC000278752771 563268755 /nfs/dbraw/zinc/26/87/55/563268755.db2.gz WMPDDQZZCOYCIA-LBPRGKRZSA-N 0 2 376.463 2.502 20 0 GFADLN COC(=O)c1sc(S(=O)(=O)Nc2noc(C3CC3)n2)c(C)c1Cl ZINC000278885568 563275494 /nfs/dbraw/zinc/27/54/94/563275494.db2.gz PCPXJSUPNBEJII-UHFFFAOYSA-N 0 2 377.831 2.558 20 0 GFADLN CCc1nnc(NS(=O)(=O)c2sc(C(=O)OC)c(Cl)c2C)s1 ZINC000278933521 563277005 /nfs/dbraw/zinc/27/70/05/563277005.db2.gz VIYQWUMKWUHDPL-UHFFFAOYSA-N 0 2 381.888 2.711 20 0 GFADLN CCOC(=O)CSc1nnc(NS(=O)(=O)c2ccc(Cl)s2)s1 ZINC000279023839 563280578 /nfs/dbraw/zinc/28/05/78/563280578.db2.gz ARPDYUWITLBCNZ-UHFFFAOYSA-N 0 2 399.928 2.709 20 0 GFADLN CC[C@H](CS(=O)(=O)Nc1cc(Br)ccc1OCCOC)OC ZINC000421150372 563298435 /nfs/dbraw/zinc/29/84/35/563298435.db2.gz ILXCXJBSFJYBTE-GFCCVEGCSA-N 0 2 396.303 2.641 20 0 GFADLN CCOc1ccc(S(=O)(=O)Nc2nnc(CC)o2)cc1Br ZINC000296789782 563301595 /nfs/dbraw/zinc/30/15/95/563301595.db2.gz SPVWJUAPQIEKSD-UHFFFAOYSA-N 0 2 376.232 2.594 20 0 GFADLN COC(=O)[C@H]1CCc2sc(NS(=O)(=O)c3cc(C)sc3C)nc2C1 ZINC000421229930 563301655 /nfs/dbraw/zinc/30/16/55/563301655.db2.gz HBTIMUDGVRYBPU-JTQLQIEISA-N 0 2 386.520 2.900 20 0 GFADLN Cc1nn(C)c(Cl)c1S(=O)(=O)Nc1ncc(C2CCOCC2)s1 ZINC000296855023 563304727 /nfs/dbraw/zinc/30/47/27/563304727.db2.gz YLVLWHHLPDQHTA-UHFFFAOYSA-N 0 2 376.891 2.533 20 0 GFADLN COc1ccc(S(=O)(=O)Nc2cc([C@@H]3CCCOC3)nn2C)cc1Cl ZINC000279832835 563312608 /nfs/dbraw/zinc/31/26/08/563312608.db2.gz CGVXTIIEULCQQP-LLVKDONJSA-N 0 2 385.873 2.777 20 0 GFADLN C[C@H]1OCC[C@@]12CN(C(=O)c1cc(Cl)cc(Br)c1O)CCO2 ZINC000280195189 563326206 /nfs/dbraw/zinc/32/62/06/563326206.db2.gz DGOSGLQUAOLHCL-RFAUZJTJSA-N 0 2 390.661 2.828 20 0 GFADLN CCOC(=O)Cc1csc(NS(=O)(=O)c2c(F)cc(C)cc2F)n1 ZINC000424201311 563373474 /nfs/dbraw/zinc/37/34/74/563373474.db2.gz GPTNVGLEHUNLEE-UHFFFAOYSA-N 0 2 376.406 2.636 20 0 GFADLN COC(=O)c1c(C)oc(C)c1S(=O)(=O)Nc1nc2c(s1)CSCC2 ZINC000375715963 563415249 /nfs/dbraw/zinc/41/52/49/563415249.db2.gz GEHIBANWUVSJNH-UHFFFAOYSA-N 0 2 388.492 2.730 20 0 GFADLN COC(=O)c1scc(C)c1S(=O)(=O)Nc1ccc2c(c1)NC(=O)CS2 ZINC000327628108 563459176 /nfs/dbraw/zinc/45/91/76/563459176.db2.gz OVSNDJWZABUDJC-UHFFFAOYSA-N 0 2 398.487 2.688 20 0 GFADLN Cc1c(S(=O)(=O)Nc2cccc(NC(=O)c3cccs3)c2)cnn1C ZINC000427098205 563459969 /nfs/dbraw/zinc/45/99/69/563459969.db2.gz AZTKOXVLLCVDNP-UHFFFAOYSA-N 0 2 376.463 2.843 20 0 GFADLN COC(=O)c1cc(S(=O)(=O)Nc2cc(C)c(Cl)cc2OC)cnc1C ZINC000427111418 563460197 /nfs/dbraw/zinc/46/01/97/563460197.db2.gz ZPNOOWNSIJISOQ-UHFFFAOYSA-N 0 2 384.841 2.948 20 0 GFADLN CCOC(=O)c1cc(Cl)cc(S(=O)(=O)Nc2cc(CC)nc(C)n2)c1 ZINC000427746912 563473624 /nfs/dbraw/zinc/47/36/24/563473624.db2.gz SEMBFVSMVZLBTR-UHFFFAOYSA-N 0 2 383.857 2.978 20 0 GFADLN O=C(CCc1ccc(Br)cc1)N1CCCC[C@H]1c1n[nH]c(=O)[nH]1 ZINC000329183594 563474956 /nfs/dbraw/zinc/47/49/56/563474956.db2.gz OXZFPPMYRQEESC-ZDUSSCGKSA-N 0 2 379.258 2.959 20 0 GFADLN COC(=O)c1cc(S(=O)(=O)Nc2nc3ccc(C)cc3s2)cnc1C ZINC000427791076 563475319 /nfs/dbraw/zinc/47/53/19/563475319.db2.gz VVEUPVVGEMUNPV-UHFFFAOYSA-N 0 2 377.447 2.896 20 0 GFADLN Cc1nnc(NS(=O)(=O)c2ccc(C)c(I)c2)s1 ZINC000427786833 563475473 /nfs/dbraw/zinc/47/54/73/563475473.db2.gz FDKINEKZSCIVCL-UHFFFAOYSA-N 0 2 395.247 2.560 20 0 GFADLN O=c1[nH]nc([C@H]2CCCCN2Cc2cc3c(cc2Br)OCCO3)[nH]1 ZINC000329631774 563484817 /nfs/dbraw/zinc/48/48/17/563484817.db2.gz WPTYJIICZGQNTI-GFCCVEGCSA-N 0 2 395.257 2.771 20 0 GFADLN Cc1ccsc1-c1nc(=NC(=O)N2CCC[C@@]3(CNC(=O)C3)C2)s[nH]1 ZINC000329971860 563492356 /nfs/dbraw/zinc/49/23/56/563492356.db2.gz VSVGKMYJCUVFRT-MRXNPFEDSA-N 0 2 377.495 2.971 20 0 GFADLN COCc1nnc([C@H]2CCCCN2C(=O)c2csc(C(F)(F)F)n2)[nH]1 ZINC000330259747 563499898 /nfs/dbraw/zinc/49/98/98/563499898.db2.gz NQWZMILIWUKEKD-SECBINFHSA-N 0 2 375.376 2.794 20 0 GFADLN Cc1ccsc1-c1nc(=NC(=O)N(CCO)[C@@H]2CCCSC2)s[nH]1 ZINC000330340332 563501886 /nfs/dbraw/zinc/50/18/86/563501886.db2.gz XUMJZLIQHCARSD-LLVKDONJSA-N 0 2 384.552 2.719 20 0 GFADLN CC1(C)C(=O)NC(=O)N1CC(=O)Nc1c(O)c(Cl)cc(Cl)c1Cl ZINC000330771642 563521076 /nfs/dbraw/zinc/52/10/76/563521076.db2.gz OTKUKPXTRIYJFA-UHFFFAOYSA-N 0 2 380.615 2.621 20 0 GFADLN COC(=O)c1cnccc1NS(=O)(=O)c1cc(Cl)c(C)c(Cl)c1 ZINC000430054945 563532451 /nfs/dbraw/zinc/53/24/51/563532451.db2.gz XSZJRAUUUSOBMV-UHFFFAOYSA-N 0 2 375.233 2.706 20 0 GFADLN O=C(c1cc(Cl)cc(Br)c1O)N1CCC[C@]2(CNC(=O)C2)C1 ZINC000408410208 563554583 /nfs/dbraw/zinc/55/45/83/563554583.db2.gz LKGJMOWMJLEIOW-HNNXBMFYSA-N 0 2 387.661 2.550 20 0 GFADLN CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)Nc1nc(C2CCOCC2)cs1 ZINC000286457980 563560760 /nfs/dbraw/zinc/56/07/60/563560760.db2.gz SNTYZAVXQQBAAV-NSHDSACASA-N 0 2 379.404 2.679 20 0 GFADLN Cc1ccc(S(=O)(=O)Nc2cccc(N3C(=O)NC(C)(C)C3=O)c2)s1 ZINC000432471188 563585127 /nfs/dbraw/zinc/58/51/27/563585127.db2.gz XFPLLAJXHLUYSJ-UHFFFAOYSA-N 0 2 379.463 2.692 20 0 GFADLN C[C@@H]1CCc2nc(NS(=O)(=O)c3cccc(C(=O)N(C)C)c3)sc2C1 ZINC000332252483 563587654 /nfs/dbraw/zinc/58/76/54/563587654.db2.gz UIQFQALPIUZRHV-LLVKDONJSA-N 0 2 379.507 2.771 20 0 GFADLN CN(C)c1ncc(NS(=O)(=O)c2ccc(Cl)cc2Br)cn1 ZINC000410381904 563587976 /nfs/dbraw/zinc/58/79/76/563587976.db2.gz MXDVHQHYHWBGMS-UHFFFAOYSA-N 0 2 391.678 2.759 20 0 GFADLN COC[C@H](C)Oc1ccc(Cl)cc1NS(=O)(=O)c1cncc(OC)c1 ZINC000410397704 563588736 /nfs/dbraw/zinc/58/87/36/563588736.db2.gz JCGJQAZVHNUJFB-NSHDSACASA-N 0 2 386.857 2.958 20 0 GFADLN Cc1ccsc1-c1nc(=NC(=O)C(=O)NC[C@@H]2CCC[C@H](C)C2)s[nH]1 ZINC000411185048 563609216 /nfs/dbraw/zinc/60/92/16/563609216.db2.gz LPNMPEFKNYOACQ-CMPLNLGQSA-N 0 2 378.523 2.878 20 0 GFADLN C[C@@H]1CCCN(C(=O)C(=O)N=c2nc(-c3ccccc3Cl)[nH]s2)[C@@H]1C ZINC000411250903 563612253 /nfs/dbraw/zinc/61/22/53/563612253.db2.gz GNOAVZXZOQYHDM-GHMZBOCLSA-N 0 2 378.885 2.866 20 0 GFADLN Cc1ccsc1-c1nc(=NC(=O)C(=O)N[C@H]2CC23CCCCC3)s[nH]1 ZINC000411333933 563615363 /nfs/dbraw/zinc/61/53/63/563615363.db2.gz BNDHZZIYFORWIP-NSHDSACASA-N 0 2 376.507 2.774 20 0 GFADLN Cc1ccsc1-c1nc(=NC(=O)C(=O)N[C@@H]2CC[C@H](C)[C@@H](C)C2)s[nH]1 ZINC000411353247 563615972 /nfs/dbraw/zinc/61/59/72/563615972.db2.gz LBDWUUWKOSYFAG-ZMLRMANQSA-N 0 2 378.523 2.876 20 0 GFADLN Cc1ccsc1-c1nc(=NC(=O)C(=O)N2CC[C@@H](C)C[C@@H](C)C2)s[nH]1 ZINC000411340331 563616143 /nfs/dbraw/zinc/61/61/43/563616143.db2.gz ACNLDJQYLFDKBT-GHMZBOCLSA-N 0 2 378.523 2.830 20 0 GFADLN COC(=O)COc1ccc(NS(=O)(=O)c2sccc2OC)cc1Cl ZINC000433613627 563616588 /nfs/dbraw/zinc/61/65/88/563616588.db2.gz XTPLLEBIOQMBAD-UHFFFAOYSA-N 0 2 391.854 2.763 20 0 GFADLN CC(=O)Nc1ccc(NS(=O)(=O)c2cn(C)nc2C)c(C(F)(F)F)c1 ZINC000288552520 563647542 /nfs/dbraw/zinc/64/75/42/563647542.db2.gz YYKLIPKDGKZPMK-UHFFFAOYSA-N 0 2 376.360 2.507 20 0 GFADLN Cc1nnc([C@@H]2CCN(C(=O)c3cc(Cl)cc(Br)c3O)C2)[nH]1 ZINC000333993939 563649397 /nfs/dbraw/zinc/64/93/97/563649397.db2.gz MCLSNJAGLQPOBB-MRVPVSSYSA-N 0 2 385.649 2.864 20 0 GFADLN CC1(C)CCN(C(=O)c2cc(F)cc(Br)c2O)CC[S@@]1=O ZINC000412403685 563656545 /nfs/dbraw/zinc/65/65/45/563656545.db2.gz TVIQYLWRSPWOKK-NRFANRHFSA-N 0 2 378.263 2.667 20 0 GFADLN C[S@](=O)C1(CNC(=O)N=c2nc(-c3ccccc3Cl)[nH]s2)CCC1 ZINC000436371887 563669673 /nfs/dbraw/zinc/66/96/73/563669673.db2.gz UCXDWESFFRVALK-DEOSSOPVSA-N 0 2 384.914 2.703 20 0 GFADLN O=C(NCc1nc(C(F)(F)F)n[nH]1)c1cc(Br)cc(Cl)c1O ZINC000436626232 563675033 /nfs/dbraw/zinc/67/50/33/563675033.db2.gz QPIDTZXXFHRVRP-UHFFFAOYSA-N 0 2 399.554 2.875 20 0 GFADLN O=C(Nc1ccccn1)c1ccc(NS(=O)(=O)c2cccs2)cc1O ZINC000436758676 563679457 /nfs/dbraw/zinc/67/94/57/563679457.db2.gz NCURLJWPFNVNJA-UHFFFAOYSA-N 0 2 375.431 2.902 20 0 GFADLN CCOCCO[C@H]1CCN(C(=O)c2cc(F)cc(Br)c2O)C1 ZINC000436859254 563682730 /nfs/dbraw/zinc/68/27/30/563682730.db2.gz SEZFXXYBTWCNBQ-NSHDSACASA-N 0 2 376.222 2.561 20 0 GFADLN CCn1cnnc1[C@@H]1CCCN(C(=O)c2cc(F)cc(Br)c2O)C1 ZINC000436863148 563683445 /nfs/dbraw/zinc/68/34/45/563683445.db2.gz JDXHXUDSPMDPKN-SNVBAGLBSA-N 0 2 397.248 2.925 20 0 GFADLN CCC[C@H]1CCc2nc(NS(=O)(=O)c3c[nH]c(C(=O)OC)c3)sc2C1 ZINC000437395466 563694635 /nfs/dbraw/zinc/69/46/35/563694635.db2.gz NZKYCYBDVSWHCM-JTQLQIEISA-N 0 2 383.495 2.964 20 0 GFADLN O=C(CCCn1cccn1)Nc1nc(-c2ccc(Br)cc2F)n[nH]1 ZINC000439255765 563721213 /nfs/dbraw/zinc/72/12/13/563721213.db2.gz 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383.429 2.574 20 0 GFADLN C[NH+](C)[C@@H](CNS(=O)(=O)c1ccc(C(=O)[O-])cc1)c1ccccc1Cl ZINC000830584924 601147691 /nfs/dbraw/zinc/14/76/91/601147691.db2.gz HERUJUPQJMSXDE-INIZCTEOSA-N 0 2 382.869 2.619 20 0 GFADLN Cc1oc(S(=O)(=O)N2CC[N@H+](Cc3ccccc3)C(C)(C)C2)cc1C(=O)[O-] ZINC000833028403 601220906 /nfs/dbraw/zinc/22/09/06/601220906.db2.gz NHRDOENLGONNRR-UHFFFAOYSA-N 0 2 392.477 2.571 20 0 GFADLN Cc1oc(S(=O)(=O)N2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)cc1C(=O)[O-] ZINC000833028403 601220909 /nfs/dbraw/zinc/22/09/09/601220909.db2.gz NHRDOENLGONNRR-UHFFFAOYSA-N 0 2 392.477 2.571 20 0 GFADLN O=C([O-])c1nn(C[N@@H+]2CCCN(C(=O)c3ccccc3)CC2)c2ccccc21 ZINC000833346639 601398109 /nfs/dbraw/zinc/39/81/09/601398109.db2.gz MLPOUGZBEHRNJJ-UHFFFAOYSA-N 0 2 378.432 2.540 20 0 GFADLN O=C([O-])c1nn(C[N@H+]2CCCN(C(=O)c3ccccc3)CC2)c2ccccc21 ZINC000833346639 601398112 /nfs/dbraw/zinc/39/81/12/601398112.db2.gz MLPOUGZBEHRNJJ-UHFFFAOYSA-N 0 2 378.432 2.540 20 0 GFADLN 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389.452 2.557 20 0 GFADLN C[C@@H](NC(=O)Nc1cccc(CSCCC(=O)[O-])c1)[C@H](C)[NH+]1CCOCC1 ZINC000736648353 599822020 /nfs/dbraw/zinc/82/20/20/599822020.db2.gz FIKZEBVTZHMQBP-CABCVRRESA-N 0 2 395.525 2.625 20 0 GFADLN COc1ccc([C@@H]([NH2+]CC(=O)N(C)[C@H](C)c2ccccc2OC)C(=O)[O-])cc1 ZINC000737964491 599859910 /nfs/dbraw/zinc/85/99/10/599859910.db2.gz MWZODCXGFCUILS-JLTOFOAXSA-N 0 2 386.448 2.639 20 0 GFADLN Cc1cc(C[NH+]2CCN(Cc3cnn(-c4ccccc4)c3)CC2)oc1C(=O)[O-] ZINC000738386062 599964492 /nfs/dbraw/zinc/96/44/92/599964492.db2.gz SYUCHUWOSDBEIZ-UHFFFAOYSA-N 0 2 380.448 2.790 20 0 GFADLN O=C([O-])c1cc(Cl)cc(Cl)c1NC(=O)C[N@@H+]1CCC[C@@H]1Cn1cccn1 ZINC000739284812 599971692 /nfs/dbraw/zinc/97/16/92/599971692.db2.gz USSFATNSMNFLDT-GFCCVEGCSA-N 0 2 397.262 2.991 20 0 GFADLN O=C([O-])c1cc(Cl)cc(Cl)c1NC(=O)C[N@H+]1CCC[C@@H]1Cn1cccn1 ZINC000739284812 599971694 /nfs/dbraw/zinc/97/16/94/599971694.db2.gz USSFATNSMNFLDT-GFCCVEGCSA-N 0 2 397.262 2.991 20 0 GFADLN Cc1onc2c1c(C(=O)[O-])nn(C[N@H+](Cc1cccc(C)c1)CC(C)C)c2=O ZINC000738709869 600034543 /nfs/dbraw/zinc/03/45/43/600034543.db2.gz YZNRPFTVHLAQEO-UHFFFAOYSA-N 0 2 384.436 2.815 20 0 GFADLN Cc1onc2c1c(C(=O)[O-])nn(C[N@@H+](Cc1cccc(C)c1)CC(C)C)c2=O ZINC000738709869 600034545 /nfs/dbraw/zinc/03/45/45/600034545.db2.gz YZNRPFTVHLAQEO-UHFFFAOYSA-N 0 2 384.436 2.815 20 0 GFADLN O=C([O-])c1ccc(CCC(=O)N2CC[NH+](CCOc3ccccc3)CC2)cc1 ZINC000740121783 600035739 /nfs/dbraw/zinc/03/57/39/600035739.db2.gz LTURKUFBCDGNIV-UHFFFAOYSA-N 0 2 382.460 2.541 20 0 GFADLN Cc1[nH]c(C(=O)C[NH+]2CCC(NC(=O)OC(C)(C)C)CC2)c(C)c1C(=O)[O-] ZINC000738155252 600085980 /nfs/dbraw/zinc/08/59/80/600085980.db2.gz ZPLIADMWOBRVAA-UHFFFAOYSA-N 0 2 379.457 2.502 20 0 GFADLN Cc1sc(NC(=O)C[N@@H+](C)[C@H](C)CNC(=O)OC(C)(C)C)c(C(=O)[O-])c1C ZINC000738993551 600330879 /nfs/dbraw/zinc/33/08/79/600330879.db2.gz YSDIFCUYUJTKFC-SNVBAGLBSA-N 0 2 399.513 2.847 20 0 GFADLN Cc1sc(NC(=O)C[N@H+](C)[C@H](C)CNC(=O)OC(C)(C)C)c(C(=O)[O-])c1C ZINC000738993551 600330882 /nfs/dbraw/zinc/33/08/82/600330882.db2.gz YSDIFCUYUJTKFC-SNVBAGLBSA-N 0 2 399.513 2.847 20 0 GFADLN O=C([O-])CCCCCNC(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000414609212 600357710 /nfs/dbraw/zinc/35/77/10/600357710.db2.gz JMBGUQXRNHLNOZ-CQSZACIVSA-N 0 2 383.439 2.873 20 0 GFADLN O=C([O-])CCCCCNC(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000414609212 600357712 /nfs/dbraw/zinc/35/77/12/600357712.db2.gz JMBGUQXRNHLNOZ-CQSZACIVSA-N 0 2 383.439 2.873 20 0 GFADLN CC[C@@H](C(=O)[O-])N(C(=O)C1CC[NH+](Cc2nccn2C)CC1)c1ccccc1 ZINC000736845420 600388125 /nfs/dbraw/zinc/38/81/25/600388125.db2.gz BYWBZGCJLWNYSN-SFHVURJKSA-N 0 2 384.480 2.529 20 0 GFADLN Cc1cc(NC(=O)N[C@H](Cc2ccccc2)C[NH+]2CCOCC2)ccc1C(=O)[O-] ZINC000738439475 600393817 /nfs/dbraw/zinc/39/38/17/600393817.db2.gz CISITUWRYQYMOE-LJQANCHMSA-N 0 2 397.475 2.758 20 0 GFADLN O=C([O-])c1n[nH]c2ccc(NC(=O)NCc3ccccc3Cn3cc[nH+]c3)cc21 ZINC000739447119 600567153 /nfs/dbraw/zinc/56/71/53/600567153.db2.gz CYFQSGAQGLETIU-UHFFFAOYSA-N 0 2 390.403 2.828 20 0 GFADLN CC[N@@H+]1CCCC[C@H]1C(=O)OCC(=O)Nc1sc2c(c1C(=O)[O-])CCCC2 ZINC000829771550 600681332 /nfs/dbraw/zinc/68/13/32/600681332.db2.gz YPDYRSWSHMVZSK-ZDUSSCGKSA-N 0 2 394.493 2.681 20 0 GFADLN CC[N@H+]1CCCC[C@H]1C(=O)OCC(=O)Nc1sc2c(c1C(=O)[O-])CCCC2 ZINC000829771550 600681333 /nfs/dbraw/zinc/68/13/33/600681333.db2.gz YPDYRSWSHMVZSK-ZDUSSCGKSA-N 0 2 394.493 2.681 20 0 GFADLN O=C([O-])c1ccccc1NC(=O)COC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000738472405 600805182 /nfs/dbraw/zinc/80/51/82/600805182.db2.gz ZFVVNZCISNWUHN-IBGZPJMESA-N 0 2 396.443 2.921 20 0 GFADLN O=C([O-])c1ccccc1NC(=O)COC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000738472405 600805183 /nfs/dbraw/zinc/80/51/83/600805183.db2.gz ZFVVNZCISNWUHN-IBGZPJMESA-N 0 2 396.443 2.921 20 0 GFADLN O=C([O-])[C@H]1CCC[N@H+](CC(=O)Nc2ncc(Cc3ccc(F)cc3)s2)C1 ZINC000263574602 601032765 /nfs/dbraw/zinc/03/27/65/601032765.db2.gz NSVSSJRWRPCQQO-ZDUSSCGKSA-N 0 2 377.441 2.608 20 0 GFADLN O=C([O-])[C@H]1CCC[N@@H+](CC(=O)Nc2ncc(Cc3ccc(F)cc3)s2)C1 ZINC000263574602 601032767 /nfs/dbraw/zinc/03/27/67/601032767.db2.gz NSVSSJRWRPCQQO-ZDUSSCGKSA-N 0 2 377.441 2.608 20 0 GFADLN Cc1cccc(S(=O)(=O)N2C[C@@H](n3cc[nH+]c3)Cc3ccccc32)c1C(=O)[O-] ZINC000738745631 601118017 /nfs/dbraw/zinc/11/80/17/601118017.db2.gz SMAGGQXVGMIBGF-INIZCTEOSA-N 0 2 397.456 2.882 20 0 GFADLN Nc1nc(C[N@H+](CCC(=O)[O-])Cc2ccccc2)nc(Nc2ccc(F)cc2)n1 ZINC000833091463 601313081 /nfs/dbraw/zinc/31/30/81/601313081.db2.gz QKVKJRQQTOBIMT-UHFFFAOYSA-N 0 2 396.426 2.813 20 0 GFADLN Nc1nc(C[N@@H+](CCC(=O)[O-])Cc2ccccc2)nc(Nc2ccc(F)cc2)n1 ZINC000833091463 601313084 /nfs/dbraw/zinc/31/30/84/601313084.db2.gz QKVKJRQQTOBIMT-UHFFFAOYSA-N 0 2 396.426 2.813 20 0 GFADLN C[C@H]1CN(Cc2csc(-c3ccc(C(=O)[O-])cc3)n2)C[C@H]1[NH+]1CCOCC1 ZINC000828461535 601325159 /nfs/dbraw/zinc/32/51/59/601325159.db2.gz ADYDGUHOZMLZBQ-KBXCAEBGSA-N 0 2 387.505 2.661 20 0 GFADLN COc1cc(OC)cc(N2CC[C@H]([N@H+](C)Cc3cc(C(=O)[O-])oc3C)C2=O)c1 ZINC000832088192 601378210 /nfs/dbraw/zinc/37/82/10/601378210.db2.gz KPCAHCVBFPXBFM-KRWDZBQOSA-N 0 2 388.420 2.541 20 0 GFADLN COc1cc(OC)cc(N2CC[C@H]([N@@H+](C)Cc3cc(C(=O)[O-])oc3C)C2=O)c1 ZINC000832088192 601378212 /nfs/dbraw/zinc/37/82/12/601378212.db2.gz KPCAHCVBFPXBFM-KRWDZBQOSA-N 0 2 388.420 2.541 20 0 GFADLN Cc1cc(C(=O)Nc2cccc(C[NH+]3CCOCC3)c2)cc(C)c1OCC(=O)[O-] ZINC000832866556 601536982 /nfs/dbraw/zinc/53/69/82/601536982.db2.gz FYYUDSNMGWDIJF-UHFFFAOYSA-N 0 2 398.459 2.851 20 0 GFADLN Cc1ccc(CCC2CCN(C(=O)C[N@@H+]3CC[C@](F)(C(=O)[O-])C3)CC2)cc1 ZINC000832929976 601553305 /nfs/dbraw/zinc/55/33/05/601553305.db2.gz IHQIQTKRORHKNS-OAQYLSRUSA-N 0 2 376.472 2.665 20 0 GFADLN Cc1ccc(CCC2CCN(C(=O)C[N@H+]3CC[C@](F)(C(=O)[O-])C3)CC2)cc1 ZINC000832929976 601553307 /nfs/dbraw/zinc/55/33/07/601553307.db2.gz IHQIQTKRORHKNS-OAQYLSRUSA-N 0 2 376.472 2.665 20 0 GFADLN Cc1cc(C(=O)N2CC[NH+](Cc3cccs3)CC2)cc(C)c1OCC(=O)[O-] ZINC000832862160 601674167 /nfs/dbraw/zinc/67/41/67/601674167.db2.gz WILSPOPKRUUVTF-UHFFFAOYSA-N 0 2 388.489 2.786 20 0 GFADLN C[C@H](c1cccc(NC(=O)NCC2(C(=O)[O-])CCCC2)c1)[NH+]1CCOCC1 ZINC000827941971 601719443 /nfs/dbraw/zinc/71/94/43/601719443.db2.gz NHBVVOGBURHHDX-OAHLLOKOSA-N 0 2 375.469 2.846 20 0 GFADLN O=C([O-])[C@@H](NC(=O)c1cccc(NC(=O)CCn2cc[nH+]c2)c1)C1CCCCC1 ZINC000833104089 601752989 /nfs/dbraw/zinc/75/29/89/601752989.db2.gz XYQJEPNNXVXPFF-IBGZPJMESA-N 0 2 398.463 2.675 20 0 GFADLN O=C([O-])N1Cc2ccccc2C[C@@H]1C(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000740452185 601864086 /nfs/dbraw/zinc/86/40/86/601864086.db2.gz UNQGQLHRLZNJQD-LJQANCHMSA-N 0 2 394.475 2.793 20 0 GFADLN CN(C(=O)[O-])[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(OC(F)F)c(Cl)c2)C1 ZINC000739586664 601979030 /nfs/dbraw/zinc/97/90/30/601979030.db2.gz UDBYJEKWQPDLOB-LLVKDONJSA-N 0 2 391.802 2.954 20 0 GFADLN CN(C(=O)[O-])[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(OC(F)F)c(Cl)c2)C1 ZINC000739586664 601979034 /nfs/dbraw/zinc/97/90/34/601979034.db2.gz UDBYJEKWQPDLOB-LLVKDONJSA-N 0 2 391.802 2.954 20 0 GFADLN C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N2CC[C@](C)(C(=O)[O-])C2)C[C@@H](C)O1 ZINC000828464903 601989396 /nfs/dbraw/zinc/98/93/96/601989396.db2.gz WAXOAZVJHDKVIH-SXGZJXTBSA-N 0 2 375.469 2.624 20 0 GFADLN C[C@@H](NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000738979080 602082850 /nfs/dbraw/zinc/08/28/50/602082850.db2.gz MMATYGABPLZEMA-CRAIPNDOSA-N 0 2 385.468 2.509 20 0 GFADLN C[C@@H]1CCN(S(=O)(=O)c2cc(C(=O)[O-])ccc2Cl)C[C@H]1n1cc[nH+]c1 ZINC000828295251 602320553 /nfs/dbraw/zinc/32/05/53/602320553.db2.gz CHRFIKFIHRIQRF-BXUZGUMPSA-N 0 2 383.857 2.507 20 0 GFADLN O=C([O-])N[C@@H](CCC(=O)NC1CCN(c2cccc[nH+]2)CC1)c1ccccc1 ZINC000740539054 602460291 /nfs/dbraw/zinc/46/02/91/602460291.db2.gz MREILLUESBTHHL-SFHVURJKSA-N 0 2 382.464 2.956 20 0 GFADLN C[C@@H]1C[C@H](C)CN(C(=O)[C@H](Cc2cn(Cc3ccccc3)c[nH+]2)NC(=O)[O-])C1 ZINC000739076481 602490777 /nfs/dbraw/zinc/49/07/77/602490777.db2.gz BPXSOJODZGSJKJ-FCEWJHQRSA-N 0 2 384.480 2.615 20 0 GFADLN CC(C)c1cc(C(=O)N(C)CC[NH+]2CCN(C(=O)[O-])CC2)c2ccccc2n1 ZINC000738872576 602493639 /nfs/dbraw/zinc/49/36/39/602493639.db2.gz GRQYZSVJGQFASH-UHFFFAOYSA-N 0 2 384.480 2.726 20 0 GFADLN Cc1c2ccccc2oc1[C@H](C)NC(=O)N(C)CC[NH+]1CCN(C(=O)[O-])CC1 ZINC000740051027 602620953 /nfs/dbraw/zinc/62/09/53/602620953.db2.gz YPZPXWMVKWJPFD-HNNXBMFYSA-N 0 2 388.468 2.739 20 0 GFADLN CC(=O)N(c1nc(C[N@H+](C2CC2)C2CCN(C(=O)[O-])CC2)cs1)C1CC1 ZINC000738515612 603235638 /nfs/dbraw/zinc/23/56/38/603235638.db2.gz YUKUIRXBBYEMGI-UHFFFAOYSA-N 0 2 378.498 2.765 20 0 GFADLN CC(=O)N(c1nc(C[N@@H+](C2CC2)C2CCN(C(=O)[O-])CC2)cs1)C1CC1 ZINC000738515612 603235640 /nfs/dbraw/zinc/23/56/40/603235640.db2.gz YUKUIRXBBYEMGI-UHFFFAOYSA-N 0 2 378.498 2.765 20 0 GFADLN O=C([O-])N1[C@@H]2CC[C@H]1CC(NC(=O)Nc1nc(C[NH+]3CCCCC3)cs1)C2 ZINC000831810469 603258558 /nfs/dbraw/zinc/25/85/58/603258558.db2.gz NPZJEBPHXNABPI-LQDVMPOASA-N 0 2 393.513 2.924 20 0 GFADLN Cc1cn(C[N@@H+]2CC[C@@H](NC(=O)[O-])[C@H](C)C2)c(=O)n1-c1ccccc1Cl 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YVFGHXVNENQMKH-GXFFZTMASA-N 0 2 399.843 2.777 20 0 GFADLN COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(OC)cn1 ZINC000682488497 566157248 /nfs/dbraw/zinc/15/72/48/566157248.db2.gz MQXHTYPWAWUBAX-LLVKDONJSA-N 0 2 386.857 2.958 20 0 GFADLN C[C@H]1C[C@H]1c1nnc(NS(=O)(=O)c2cccc(Br)c2F)o1 ZINC000634662014 566166814 /nfs/dbraw/zinc/16/68/14/566166814.db2.gz GPFVPWCLCYGKGB-NKWVEPMBSA-N 0 2 376.207 2.895 20 0 GFADLN O=S(=O)(Nc1ncc2c(n1)CCOC2)c1cc(Cl)ccc1OC(F)F ZINC000634660356 566167746 /nfs/dbraw/zinc/16/77/46/566167746.db2.gz HYBDYQREXNZBAG-UHFFFAOYSA-N 0 2 391.783 2.605 20 0 GFADLN O=S(=O)(Nc1nnc([C@H]2CCCO2)s1)c1ccc(Br)cc1 ZINC000634664371 566169072 /nfs/dbraw/zinc/16/90/72/566169072.db2.gz AHKOPOKGNWTTPN-SNVBAGLBSA-N 0 2 390.284 2.953 20 0 GFADLN Cn1nc2c(c1S(=O)(=O)Nc1cc(Br)ccc1O)CCCC2 ZINC000634789667 566176859 /nfs/dbraw/zinc/17/68/59/566176859.db2.gz YTZKFQWPJFFLBX-UHFFFAOYSA-N 0 2 386.271 2.568 20 0 GFADLN COc1cc(NS(=O)(=O)c2c3c(nn2C)CCCC3)cc(OC)c1Cl ZINC000634793213 566178274 /nfs/dbraw/zinc/17/82/74/566178274.db2.gz AHFYQKNLKZTDLJ-UHFFFAOYSA-N 0 2 385.873 2.770 20 0 GFADLN C[S@](=O)c1ccc(CNC(=O)N=c2nc(-c3ccsc3)[nH]s2)cc1 ZINC000613083838 566184863 /nfs/dbraw/zinc/18/48/63/566184863.db2.gz XICQFPSQVMWTCI-DEOSSOPVSA-N 0 2 378.504 2.748 20 0 GFADLN CC(=O)Nc1nc(C)c(S(=O)(=O)Nc2nnc(C3CCCCC3)o2)s1 ZINC000683712978 566210629 /nfs/dbraw/zinc/21/06/29/566210629.db2.gz FMBREDGYCUGSJP-UHFFFAOYSA-N 0 2 385.471 2.641 20 0 GFADLN O=C(C1=NN(c2ccc(Cl)cc2)CC1=O)N1CCO[C@@H](C(F)(F)F)C1 ZINC000684051146 566224096 /nfs/dbraw/zinc/22/40/96/566224096.db2.gz NIPFNYYIRABTKP-GFCCVEGCSA-N 0 2 375.734 2.635 20 0 GFADLN O=S(=O)(Nc1ccc(C(F)(F)F)cc1)c1ccc(-c2nn[nH]n2)cc1F ZINC000738346298 598842481 /nfs/dbraw/zinc/84/24/81/598842481.db2.gz XWCLTHSTEPJNPL-UHFFFAOYSA-N 0 2 387.318 2.825 20 0 GFADLN Cc1cc(OC(C)C)ccc1NS(=O)(=O)c1ccc(-c2nn[nH]n2)cc1F ZINC000737280421 598844039 /nfs/dbraw/zinc/84/40/39/598844039.db2.gz VHCWOZKVHJHHJR-UHFFFAOYSA-N 0 2 391.428 2.902 20 0 GFADLN Cc1[nH]c(=O)c(-c2nn[nH]n2)c(C)c1CCC(=O)N[C@H]1C[C@@H]1C1CCCCC1 ZINC000737201009 599096752 /nfs/dbraw/zinc/09/67/52/599096752.db2.gz PLKHOCHGVULCEN-CVEARBPZSA-N 0 2 384.484 2.602 20 0 GFADLN C[C@@H]1C[NH+](Cc2ccccc2NC(=O)NC2(C(=O)[O-])CCCC2)C[C@@H](C)O1 ZINC000818114237 596976032 /nfs/dbraw/zinc/97/60/32/596976032.db2.gz ZMXFDMCEAFHKLU-HUUCEWRRSA-N 0 2 375.469 2.815 20 0 GFADLN C[C@@H](C(=O)[O-])[N@H+](C)Cc1coc(-c2ccc(I)cc2)n1 ZINC000819895219 597412947 /nfs/dbraw/zinc/41/29/47/597412947.db2.gz CYQHRANZPFQJCH-VIFPVBQESA-N 0 2 386.189 2.851 20 0 GFADLN C[C@@H](C(=O)[O-])[N@@H+](C)Cc1coc(-c2ccc(I)cc2)n1 ZINC000819895219 597412949 /nfs/dbraw/zinc/41/29/49/597412949.db2.gz CYQHRANZPFQJCH-VIFPVBQESA-N 0 2 386.189 2.851 20 0 GFADLN CC(=O)NCC[N@H+](Cc1ccc(-c2nc3ccccc3s2)o1)[C@H](C)C(=O)[O-] ZINC000263398888 597703962 /nfs/dbraw/zinc/70/39/62/597703962.db2.gz HNNSWNRUJBEEQL-GFCCVEGCSA-N 0 2 387.461 2.968 20 0 GFADLN CC(=O)NCC[N@@H+](Cc1ccc(-c2nc3ccccc3s2)o1)[C@H](C)C(=O)[O-] ZINC000263398888 597703963 /nfs/dbraw/zinc/70/39/63/597703963.db2.gz HNNSWNRUJBEEQL-GFCCVEGCSA-N 0 2 387.461 2.968 20 0 GFADLN O=S(=O)(Nc1nc2ccsc2s1)c1ccc(Cl)c(-c2nn[nH]n2)c1 ZINC000738338813 599286683 /nfs/dbraw/zinc/28/66/83/599286683.db2.gz JQPDJWJLRPPZKJ-UHFFFAOYSA-N 0 2 398.882 2.992 20 0 GFADLN Cc1[nH]c(=O)c(-c2nn[nH]n2)c(C)c1CCC(=O)Nc1cc(F)c(F)cc1F ZINC000737202238 598235040 /nfs/dbraw/zinc/23/50/40/598235040.db2.gz YDSPFONZOPPDFT-UHFFFAOYSA-N 0 2 392.341 2.573 20 0 GFADLN CCSc1ccc(Cl)cc1NS(=O)(=O)c1ccc(-c2nn[nH]n2)nc1 ZINC000736665070 598283231 /nfs/dbraw/zinc/28/32/31/598283231.db2.gz FERAMQMJNGGDDX-UHFFFAOYSA-N 0 2 396.885 2.828 20 0 GFADLN O=C(Nc1ccc(F)c(-c2nn[nH]n2)c1)c1cccc(Br)c1O ZINC000738168214 598409599 /nfs/dbraw/zinc/40/95/99/598409599.db2.gz WBTPSSAHAFRVBL-UHFFFAOYSA-N 0 2 378.161 2.726 20 0 GFADLN CCC[C@@H]1CCCC[C@@H]1NC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[nH]n2)c1C ZINC000736437166 598609299 /nfs/dbraw/zinc/60/92/99/598609299.db2.gz TXBMAXOSVFKTER-ZBFHGGJFSA-N 0 2 386.500 2.992 20 0 GFADLN Cc1[nH]c(=O)c(-c2nn[nH]n2)c(C)c1CCC(=O)O[C@H]1CCc2ccccc2C1 ZINC000737200236 598799341 /nfs/dbraw/zinc/79/93/41/598799341.db2.gz KLAIFPSGXZPUDW-INIZCTEOSA-N 0 2 393.447 2.617 20 0 GFADLN Cc1[nH]c(=O)c(-c2nn[nH]n2)c(C)c1CCC(=O)Nc1ccc2[nH]ccc2c1 ZINC000737201807 598810911 /nfs/dbraw/zinc/81/09/11/598810911.db2.gz WNKCNXPOWSWJRZ-UHFFFAOYSA-N 0 2 377.408 2.637 20 0 GFADLN Cc1[nH]c(=O)c(-c2nn[nH]n2)c(C)c1CCC(=O)N1[C@H](C)C[C@@H]2CCCC[C@@H]21 ZINC000737200870 599342619 /nfs/dbraw/zinc/34/26/19/599342619.db2.gz NQMVRUZIUYDVNO-WPGHFRTFSA-N 0 2 384.484 2.696 20 0 GFADLN CN(Cc1cc(Br)cs1)C(=O)C[NH2+][C@H](C(=O)[O-])c1ccccc1 ZINC000737454262 599781621 /nfs/dbraw/zinc/78/16/21/599781621.db2.gz HMKIWTYSHIURSD-HNNXBMFYSA-N 0 2 397.294 2.885 20 0 GFADLN O=C([O-])[C@@H]([NH2+]CC(=O)Nc1cccc(F)c1)c1ccc(Br)cc1 ZINC000739308689 599789758 /nfs/dbraw/zinc/78/97/58/599789758.db2.gz ULLKZYKPZZUTIQ-HNNXBMFYSA-N 0 2 381.201 2.942 20 0 GFADLN CC1CCC(NC(=O)C[NH2+][C@H](C(=O)[O-])c2ccc(Br)cc2)CC1 ZINC000736769287 599790273 /nfs/dbraw/zinc/79/02/73/599790273.db2.gz SMLRILKHSLACEX-INORYPFCSA-N 0 2 383.286 2.859 20 0 GFADLN CN(Cc1ccccc1)C(=O)C[NH2+][C@@H](C(=O)[O-])c1ccc(Br)cc1 ZINC000737486435 599790499 /nfs/dbraw/zinc/79/04/99/599790499.db2.gz LAAWCMOUKTVWDN-QGZVFWFLSA-N 0 2 391.265 2.823 20 0 GFADLN O=C([O-])c1ccc(OCCNC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC000739428050 599943331 /nfs/dbraw/zinc/94/33/31/599943331.db2.gz YIVRAHXDJLKGLO-UHFFFAOYSA-N 0 2 394.431 2.508 20 0 GFADLN CCOc1cc(C(=O)NCc2ccccc2-n2cc[nH+]c2)ccc1OCC(=O)[O-] ZINC000737185242 599989002 /nfs/dbraw/zinc/98/90/02/599989002.db2.gz GHBFYUDEADAVSB-UHFFFAOYSA-N 0 2 395.415 2.664 20 0 GFADLN CC[C@@H](C)[C@@H](NC(=O)C[N@H+](C)Cc1ccc(Br)s1)C(=O)[O-] ZINC000736880639 599996738 /nfs/dbraw/zinc/99/67/38/599996738.db2.gz YNKVOVIBVFBCOQ-NOZJJQNGSA-N 0 2 377.304 2.558 20 0 GFADLN CC[C@@H](C)[C@@H](NC(=O)C[N@@H+](C)Cc1ccc(Br)s1)C(=O)[O-] ZINC000736880639 599996740 /nfs/dbraw/zinc/99/67/40/599996740.db2.gz YNKVOVIBVFBCOQ-NOZJJQNGSA-N 0 2 377.304 2.558 20 0 GFADLN COc1cccc([C@H](C)[NH+]2CCN(C(=O)c3cccc(OCC(=O)[O-])c3)CC2)c1 ZINC000659757047 600076806 /nfs/dbraw/zinc/07/68/06/600076806.db2.gz RTSADNWEDBOVEE-INIZCTEOSA-N 0 2 398.459 2.678 20 0 GFADLN CC(C)N(C(=O)C[NH2+][C@](C)(C(=O)[O-])c1cccc(Br)c1)C(C)C ZINC000736454494 600078412 /nfs/dbraw/zinc/07/84/12/600078412.db2.gz GUBAXOGLLLNGAV-KRWDZBQOSA-N 0 2 385.302 2.984 20 0 GFADLN C[C@@]([NH2+]CC(=O)Nc1ccccc1)(C(=O)[O-])c1cccc(Br)c1 ZINC000736662149 600078683 /nfs/dbraw/zinc/07/86/83/600078683.db2.gz MPJCAJUODVRRPQ-KRWDZBQOSA-N 0 2 377.238 2.977 20 0 GFADLN Cc1cn(C[NH+]2CCC3(C[C@H]3C(=O)[O-])CC2)c(=O)n1-c1ccccc1Cl ZINC000738799416 600280172 /nfs/dbraw/zinc/28/01/72/600280172.db2.gz WMBXXXAITLODDN-AWEZNQCLSA-N 0 2 375.856 2.745 20 0 GFADLN COc1ccccc1C[NH+]1CCN(C(=O)Nc2ccc(C(=O)[O-])cc2F)CC1 ZINC000738133667 600400155 /nfs/dbraw/zinc/40/01/55/600400155.db2.gz QPISBCYFCBIWQX-UHFFFAOYSA-N 0 2 387.411 2.882 20 0 GFADLN Cc1oc(C[NH+]2CCN([C@H](CO)c3ccc(Cl)cc3)CC2)cc1C(=O)[O-] ZINC000738979721 600462677 /nfs/dbraw/zinc/46/26/77/600462677.db2.gz OPSBACOJOAZMQY-GOSISDBHSA-N 0 2 378.856 2.791 20 0 GFADLN Cc1oc(C(=O)[O-])cc1C[NH+]1CCN([C@H](CO)c2ccc(Cl)cc2)CC1 ZINC000738963077 600462980 /nfs/dbraw/zinc/46/29/80/600462980.db2.gz GQHDKGVLEOSBIB-QGZVFWFLSA-N 0 2 378.856 2.791 20 0 GFADLN Cc1ccc2[nH+]c(CSCC(=O)N3C[C@@H](C(=O)[O-])Oc4ccccc43)cn2c1 ZINC000738677160 600494109 /nfs/dbraw/zinc/49/41/09/600494109.db2.gz NQSLWOSZTMKKKV-KRWDZBQOSA-N 0 2 397.456 2.755 20 0 GFADLN O=C([O-])C1CCN(C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)CC1 ZINC000263164636 600564987 /nfs/dbraw/zinc/56/49/87/600564987.db2.gz CJFGPXRLIRPLSQ-MRXNPFEDSA-N 0 2 397.878 2.950 20 0 GFADLN O=C([O-])C1CCN(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)CC1 ZINC000263164636 600564988 /nfs/dbraw/zinc/56/49/88/600564988.db2.gz CJFGPXRLIRPLSQ-MRXNPFEDSA-N 0 2 397.878 2.950 20 0 GFADLN C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)[C@@H]1CCC[C@@H](C(=O)[O-])C1 ZINC000736586801 600666941 /nfs/dbraw/zinc/66/69/41/600666941.db2.gz QWSCPWWFSPQTRY-MISYRCLQSA-N 0 2 388.508 2.627 20 0 GFADLN Cc1ccc(S(=O)(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)cc1C(=O)[O-] ZINC000832956341 600766646 /nfs/dbraw/zinc/76/66/46/600766646.db2.gz ZPVVXSGWVFXPFV-QGZVFWFLSA-N 0 2 396.896 2.928 20 0 GFADLN O=C([O-])c1ccccc1NC(=O)COC(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000738472406 600804891 /nfs/dbraw/zinc/80/48/91/600804891.db2.gz ZFVVNZCISNWUHN-LJQANCHMSA-N 0 2 396.443 2.921 20 0 GFADLN O=C([O-])c1ccccc1NC(=O)COC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000738472406 600804894 /nfs/dbraw/zinc/80/48/94/600804894.db2.gz ZFVVNZCISNWUHN-LJQANCHMSA-N 0 2 396.443 2.921 20 0 GFADLN Cc1ncc(C[NH+]2CCN(CCOc3ccc(C(=O)[O-])cc3Cl)CC2)s1 ZINC000833008770 600826985 /nfs/dbraw/zinc/82/69/85/600826985.db2.gz UTLCDWSUKKVOFG-UHFFFAOYSA-N 0 2 395.912 3.000 20 0 GFADLN O=C([O-])C[N@H+](Cc1nnc(-c2ccccc2Br)o1)C1CCOCC1 ZINC000833248929 600856115 /nfs/dbraw/zinc/85/61/15/600856115.db2.gz 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C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N3CCC[C@@H](N(C)C(=O)[O-])C3)n2)C1 ZINC000739112959 602006968 /nfs/dbraw/zinc/00/69/68/602006968.db2.gz UIQKVLUJRVQCPM-UKRRQHHQSA-N 0 2 395.529 2.981 20 0 GFADLN C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CCC[C@@H](N(C)C(=O)[O-])C3)n2)C1 ZINC000739112959 602006970 /nfs/dbraw/zinc/00/69/70/602006970.db2.gz UIQKVLUJRVQCPM-UKRRQHHQSA-N 0 2 395.529 2.981 20 0 GFADLN O=C([O-])COc1ccc(NC(=O)NCCNc2cccc[nH+]2)c2ccccc12 ZINC000833257549 602228672 /nfs/dbraw/zinc/22/86/72/602228672.db2.gz QBEOBSYXEXSVIX-UHFFFAOYSA-N 0 2 380.404 2.932 20 0 GFADLN CC(C)[C@@H](C(=O)Nc1ccc2c(c1)CCN2C(=O)[O-])[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000739175150 602252214 /nfs/dbraw/zinc/25/22/14/602252214.db2.gz JQDSBWSNVGREFD-IYOUNJFTSA-N 0 2 375.469 2.799 20 0 GFADLN CC(C)[C@@H](C(=O)Nc1ccc2c(c1)CCN2C(=O)[O-])[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000739175150 602252217 /nfs/dbraw/zinc/25/22/17/602252217.db2.gz JQDSBWSNVGREFD-IYOUNJFTSA-N 0 2 375.469 2.799 20 0 GFADLN Cc1cn(C[N@@H+]2CCC[C@@H](CNC(=O)[O-])C2)c(=O)n1-c1ccccc1Cl ZINC000740195801 602323715 /nfs/dbraw/zinc/32/37/15/602323715.db2.gz ANKCJYKSYNFARE-AWEZNQCLSA-N 0 2 378.860 2.538 20 0 GFADLN Cc1cn(C[N@H+]2CCC[C@@H](CNC(=O)[O-])C2)c(=O)n1-c1ccccc1Cl ZINC000740195801 602323718 /nfs/dbraw/zinc/32/37/18/602323718.db2.gz ANKCJYKSYNFARE-AWEZNQCLSA-N 0 2 378.860 2.538 20 0 GFADLN CCN(c1cc[nH+]cc1)S(=O)(=O)c1cc(C(=O)[O-])ccc1Br ZINC000318625517 602325606 /nfs/dbraw/zinc/32/56/06/602325606.db2.gz ZROXPHNJQNKSKQ-UHFFFAOYSA-N 0 2 385.239 2.758 20 0 GFADLN COc1cc(C(=O)[O-])cc(NC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)c1OC ZINC000831891732 602354078 /nfs/dbraw/zinc/35/40/78/602354078.db2.gz HCTLRDGJNYVHFA-WFASDCNBSA-N 0 2 388.424 2.714 20 0 GFADLN CC(C)n1c(N(C)C)nn(C[N@@H+]2CCC[C@@H]([C@@H]3CCCN3C(=O)[O-])C2)c1=S ZINC000738886432 602373005 /nfs/dbraw/zinc/37/30/05/602373005.db2.gz NYWZURAOKYGDAD-CABCVRRESA-N 0 2 396.561 2.873 20 0 GFADLN CC(C)n1c(N(C)C)nn(C[N@H+]2CCC[C@@H]([C@@H]3CCCN3C(=O)[O-])C2)c1=S 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QVWCLKDNZCXWSG-UHFFFAOYSA-N 0 2 396.899 2.900 20 0 GFADLN CCOC(=O)c1ccc(F)c(S(=O)(=O)Nc2nnc(C(F)F)s2)c1 ZINC000285238203 563510552 /nfs/dbraw/zinc/51/05/52/563510552.db2.gz ZDVTXFUAMSTOHS-UHFFFAOYSA-N 0 2 381.357 2.592 20 0 GFADLN COC(=O)c1c[nH]ccc1=NS(=O)(=O)c1csc2ccc(Cl)cc21 ZINC000430059487 563532724 /nfs/dbraw/zinc/53/27/24/563532724.db2.gz PUDLZCMSKVVGGT-UHFFFAOYSA-N 0 2 382.850 2.959 20 0 GFADLN COC(=O)c1cnccc1NS(=O)(=O)c1csc2ccc(Cl)cc21 ZINC000430059487 563532728 /nfs/dbraw/zinc/53/27/28/563532728.db2.gz PUDLZCMSKVVGGT-UHFFFAOYSA-N 0 2 382.850 2.959 20 0 GFADLN COC(=O)c1c[nH]ccc1=NS(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000430049079 563532735 /nfs/dbraw/zinc/53/27/35/563532735.db2.gz GPDRHHAQNRJKTB-UHFFFAOYSA-N 0 2 394.758 2.763 20 0 GFADLN COC(=O)c1cnccc1NS(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000430049079 563532738 /nfs/dbraw/zinc/53/27/38/563532738.db2.gz GPDRHHAQNRJKTB-UHFFFAOYSA-N 0 2 394.758 2.763 20 0 GFADLN CS(=O)(=O)Nc1nc2c(s1)CN(C(=O)c1cc3c(s1)CCCC3)CC2 ZINC000408079337 563543460 /nfs/dbraw/zinc/54/34/60/563543460.db2.gz IKQUIHHVZJFVMI-UHFFFAOYSA-N 0 2 397.547 2.653 20 0 GFADLN COCCCOc1cccc(NS(=O)(=O)c2cc(C(=O)OC)cs2)c1 ZINC000432205008 563577290 /nfs/dbraw/zinc/57/72/90/563577290.db2.gz WOCXYZATGOMMKP-UHFFFAOYSA-N 0 2 385.463 2.751 20 0 GFADLN C[C@@H](CC(=O)N1CCc2nc(NS(C)(=O)=O)sc2C1)c1ccccc1 ZINC000332580841 563605804 /nfs/dbraw/zinc/60/58/04/563605804.db2.gz HUQWDVQKWAFPHN-LBPRGKRZSA-N 0 2 379.507 2.593 20 0 GFADLN Cc1ccsc1-c1nc(=NC(=O)C(=O)N(C)[C@H]2CCC[C@H](C)C2)s[nH]1 ZINC000411172769 563608627 /nfs/dbraw/zinc/60/86/27/563608627.db2.gz MZALRENAVFYKDJ-JQWIXIFHSA-N 0 2 378.523 2.973 20 0 GFADLN CCN(CC)C(=O)Cc1ccc(NS(=O)(=O)c2sc(C)nc2C)cc1 ZINC000433502922 563614345 /nfs/dbraw/zinc/61/43/45/563614345.db2.gz SDHXRHMWHIRUIW-UHFFFAOYSA-N 0 2 381.523 2.972 20 0 GFADLN Cc1ccsc1-c1nc(=NC(=O)C(=O)N[C@@H]2CC[C@@H](C)[C@H](C)C2)s[nH]1 ZINC000411353244 563616250 /nfs/dbraw/zinc/61/62/50/563616250.db2.gz LBDWUUWKOSYFAG-YUSALJHKSA-N 0 2 378.523 2.876 20 0 GFADLN Cc1ccsc1-c1nc(=NC(=O)C(=O)N2CCC[C@H](C3CC3)C2)s[nH]1 ZINC000411530359 563622302 /nfs/dbraw/zinc/62/23/02/563622302.db2.gz UIXRHWPLFOQQHH-LBPRGKRZSA-N 0 2 376.507 2.584 20 0 GFADLN CC[C@@H]1CCC[C@H]1CNC(=O)C(=O)N=c1nc(-c2sccc2C)[nH]s1 ZINC000411574943 563624486 /nfs/dbraw/zinc/62/44/86/563624486.db2.gz MOAYWGOPZRJMMU-NEPJUHHUSA-N 0 2 378.523 2.878 20 0 GFADLN O=S(=O)(Nc1ccc2c(c1)OCCO2)c1cc(C(F)(F)F)ccc1O ZINC000436474299 563671367 /nfs/dbraw/zinc/67/13/67/563671367.db2.gz DMRFIUGVSTZSPX-UHFFFAOYSA-N 0 2 375.324 2.983 20 0 GFADLN O=C(NC1(C(F)F)CC1)c1ccc(NS(=O)(=O)c2cccs2)cc1O ZINC000436519341 563672723 /nfs/dbraw/zinc/67/27/23/563672723.db2.gz WOTYLLNZHIPVHF-UHFFFAOYSA-N 0 2 388.417 2.782 20 0 GFADLN CCO[C@@H]1C[C@@H](NC(=O)c2cc(Cl)cc(Br)c2O)[C@H]1OC ZINC000436539104 563673729 /nfs/dbraw/zinc/67/37/29/563673729.db2.gz XUJGOEYOZNTVAQ-NQBHXWOUSA-N 0 2 378.650 2.730 20 0 GFADLN O=C(NC[C@@H](CO)Cc1cccnc1)c1cc(Cl)cc(Br)c1O ZINC000436564609 563674259 /nfs/dbraw/zinc/67/42/59/563674259.db2.gz LAMYOGIFJFGKPN-NSHDSACASA-N 0 2 399.672 2.784 20 0 GFADLN CSc1nnc(CNC(=O)c2cc(F)cc(Br)c2O)s1 ZINC000436735518 563678515 /nfs/dbraw/zinc/67/85/15/563678515.db2.gz GJKIQUXXKZFEGR-UHFFFAOYSA-N 0 2 378.248 2.797 20 0 GFADLN CN(CC(=O)NCc1ccccc1)C(=O)c1cc(F)cc(Br)c1O ZINC000436858257 563682363 /nfs/dbraw/zinc/68/23/63/563682363.db2.gz MVWANMXDIAVJNS-UHFFFAOYSA-N 0 2 395.228 2.682 20 0 GFADLN COC(=O)[C@@H]1CC12CCN(C(=O)c1cc(F)cc(Br)c1O)CC2 ZINC000436866508 563683549 /nfs/dbraw/zinc/68/35/49/563683549.db2.gz YUILFSQYGCTYOW-NSHDSACASA-N 0 2 386.217 2.709 20 0 GFADLN C[C@H](c1ccccc1)N(CC(N)=O)C(=O)c1cc(F)cc(Br)c1O ZINC000436991158 563687559 /nfs/dbraw/zinc/68/75/59/563687559.db2.gz QMHWLJWAZIZIPL-SNVBAGLBSA-N 0 2 395.228 2.983 20 0 GFADLN CCCCCc1nnc(NS(=O)(=O)c2ccc(O)c(C(=O)OC)c2)s1 ZINC000437170764 563689767 /nfs/dbraw/zinc/68/97/67/563689767.db2.gz IOFZIHJVENLNQI-UHFFFAOYSA-N 0 2 385.467 2.564 20 0 GFADLN COC(=O)c1cc(S(=O)(=O)Nc2ccc(OCC(F)(F)F)nc2)cs1 ZINC000438811269 563711557 /nfs/dbraw/zinc/71/15/57/563711557.db2.gz MFPNUMVHSAAREU-UHFFFAOYSA-N 0 2 396.368 2.672 20 0 GFADLN CCO[C@H](C)c1nc(CN2CCN(C(=O)[C@@H](F)C(F)(F)F)CC2)cs1 ZINC000290782631 563721082 /nfs/dbraw/zinc/72/10/82/563721082.db2.gz JNEPYLWOMIPQJQ-ZYHUDNBSSA-N 0 2 383.411 2.785 20 0 GFADLN CCO[C@H](C)c1nc(CN2CCN(C(=O)C(F)C(F)(F)F)CC2)cs1 ZINC000290782631 563721094 /nfs/dbraw/zinc/72/10/94/563721094.db2.gz JNEPYLWOMIPQJQ-ZYHUDNBSSA-N 0 2 383.411 2.785 20 0 GFADLN CN(Cc1cn(-c2cccc(Br)c2)nn1)C(=O)[C@H](F)C(F)(F)F ZINC000290858759 563724144 /nfs/dbraw/zinc/72/41/44/563724144.db2.gz KFVZLMJMYKATTC-NSHDSACASA-N 0 2 395.154 2.889 20 0 GFADLN CN(Cc1cn(-c2cccc(Br)c2)nn1)C(=O)C(F)C(F)(F)F ZINC000290858759 563724149 /nfs/dbraw/zinc/72/41/49/563724149.db2.gz KFVZLMJMYKATTC-NSHDSACASA-N 0 2 395.154 2.889 20 0 GFADLN COCCOc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1cccn1C ZINC000414373716 563730884 /nfs/dbraw/zinc/73/08/84/563730884.db2.gz SOHGMQCJXCMPLG-UHFFFAOYSA-N 0 2 378.372 2.870 20 0 GFADLN CC[C@@H](C)n1ncc(NS(=O)(=O)c2ccc(CC(N)=O)s2)c1C1CC1 ZINC000414386983 563732329 /nfs/dbraw/zinc/73/23/29/563732329.db2.gz YAJXFNJZGQEOFJ-SNVBAGLBSA-N 0 2 382.511 2.622 20 0 GFADLN COC(=O)c1csc(S(=O)(=O)Nc2cccc([C@@H](C)C(=O)OC)c2)c1 ZINC000414400990 563734410 /nfs/dbraw/zinc/73/44/10/563734410.db2.gz XWQNTBFGGWZWOA-SNVBAGLBSA-N 0 2 383.447 2.612 20 0 GFADLN C[S@@](=O)C[C@@H](NC(=O)N=c1nc(-c2ccsc2)[nH]s1)c1ccccc1 ZINC000363922435 563736900 /nfs/dbraw/zinc/73/69/00/563736900.db2.gz FLRALLQGHOVMNJ-YMXBGEKHSA-N 0 2 392.531 2.930 20 0 GFADLN Cc1nn(C)c(S(=O)(=O)Nc2ncc(C(F)(F)F)s2)c1C(F)F ZINC000414452651 563739234 /nfs/dbraw/zinc/73/92/34/563739234.db2.gz LNHXDFYEDHCYEM-UHFFFAOYSA-N 0 2 376.332 2.942 20 0 GFADLN CCSc1nnc(NS(=O)(=O)c2ccc(C(=O)OC)c(Cl)c2)s1 ZINC000441387948 563759816 /nfs/dbraw/zinc/75/98/16/563759816.db2.gz QOILXDAWJIMWHX-UHFFFAOYSA-N 0 2 393.899 2.891 20 0 GFADLN COC(=O)c1ccc(S(=O)(=O)Nc2nnc(-c3ccccc3)s2)cc1 ZINC000442104254 563768265 /nfs/dbraw/zinc/76/82/65/563768265.db2.gz UGKBJCOUTCTDCT-UHFFFAOYSA-N 0 2 375.431 2.793 20 0 GFADLN COCc1cccc(S(=O)(=O)Nc2nc(-c3ccc(C)s3)ns2)c1 ZINC000442593863 563774482 /nfs/dbraw/zinc/77/44/82/563774482.db2.gz BAMYDNJGWWATHQ-UHFFFAOYSA-N 0 2 381.504 2.944 20 0 GFADLN COC(=O)c1scc(C)c1S(=O)(=O)Nc1cccc(F)c1C(=O)OC ZINC000442811028 563780693 /nfs/dbraw/zinc/78/06/93/563780693.db2.gz BMJFPTMRVUSNOC-UHFFFAOYSA-N 0 2 387.410 2.570 20 0 GFADLN COC(=O)c1ccc(S(=O)(=O)Nc2cc(F)cc(Cl)c2O)c(OC)c1 ZINC000442839748 563781167 /nfs/dbraw/zinc/78/11/67/563781167.db2.gz URFGHSCKBOAIKC-UHFFFAOYSA-N 0 2 389.788 2.781 20 0 GFADLN C[C@@H]1[C@H](NC(=O)C(F)(F)F)CCCN1C(=O)c1occc1Br ZINC000292507413 563789314 /nfs/dbraw/zinc/78/93/14/563789314.db2.gz HQALCYHUQCJFEB-VXNVDRBHSA-N 0 2 383.164 2.714 20 0 GFADLN COC(=O)c1scc(C)c1S(=O)(=O)Nc1nnc(-c2ccccn2)s1 ZINC000443134000 563793188 /nfs/dbraw/zinc/79/31/88/563793188.db2.gz OTTUJHWEFVFKAY-UHFFFAOYSA-N 0 2 396.475 2.557 20 0 GFADLN COC(=O)c1scc(C)c1S(=O)(=O)Nc1c2c(nn1C(C)C)CCC2 ZINC000443148461 563793718 /nfs/dbraw/zinc/79/37/18/563793718.db2.gz YCQTWDYNRBHNPD-UHFFFAOYSA-N 0 2 383.495 2.910 20 0 GFADLN Cc1c(Br)cccc1S(=O)(=O)Nc1cc(C(=O)N(C)C)ccn1 ZINC000443414338 563804432 /nfs/dbraw/zinc/80/44/32/563804432.db2.gz CCZZYIIHWXGPLS-UHFFFAOYSA-N 0 2 398.282 2.655 20 0 GFADLN O[C@H]1[C@@H](CNc2nc(C(Cl)(Cl)Cl)ns2)CCC12CCOCC2 ZINC000367428678 563844129 /nfs/dbraw/zinc/84/41/29/563844129.db2.gz BKMQSIYDFVMQME-BDAKNGLRSA-N 0 2 386.732 2.766 20 0 GFADLN C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)c1cc(F)c(O)c(Cl)c1 ZINC000445244966 563845804 /nfs/dbraw/zinc/84/58/04/563845804.db2.gz ABBJVWCSLBPTSJ-VIFPVBQESA-N 0 2 386.832 2.665 20 0 GFADLN O=S(=O)(Nc1ccnn1-c1ccc(Br)cn1)c1ccccc1F ZINC000369130824 563887430 /nfs/dbraw/zinc/88/74/30/563887430.db2.gz QPFBVRYTMJMTOJ-UHFFFAOYSA-N 0 2 397.229 2.970 20 0 GFADLN CC(C)(C)c1nc(=NC(=O)[C@H]2Cc3cc(Br)ccc3O2)s[nH]1 ZINC000470878719 564179254 /nfs/dbraw/zinc/17/92/54/564179254.db2.gz AZYHTWGICKOSJG-LLVKDONJSA-N 0 2 382.283 2.962 20 0 GFADLN COCC1(NS(=O)(=O)c2c(F)cc(NC(C)=O)c(Cl)c2F)CCCC1 ZINC000563436973 564191478 /nfs/dbraw/zinc/19/14/78/564191478.db2.gz BSMGBEQVVBSJBH-UHFFFAOYSA-N 0 2 396.843 2.814 20 0 GFADLN CCN(C(=O)c1c[nH]c2nc(=O)[nH]c(=O)c-2c1)c1ccc(Br)cc1 ZINC000506201372 564198064 /nfs/dbraw/zinc/19/80/64/564198064.db2.gz CNOSOGNLPPXCTR-UHFFFAOYSA-N 0 2 389.209 2.865 20 0 GFADLN O=C(Nc1ccc(S(=O)(=O)Nc2nncs2)cc1)[C@H]1CC12CCCC2 ZINC000538709078 564198459 /nfs/dbraw/zinc/19/84/59/564198459.db2.gz SMCCGUGORSXUOM-CYBMUJFWSA-N 0 2 378.479 2.858 20 0 GFADLN CS(=O)(=O)Nc1nnc(NC(=O)c2cc(F)ccc2-c2ccoc2)s1 ZINC000471789947 564203911 /nfs/dbraw/zinc/20/39/11/564203911.db2.gz RIPIKTLTUXTRDE-UHFFFAOYSA-N 0 2 382.398 2.561 20 0 GFADLN O=S(=O)(Nc1cccnc1N1CCOCC1)c1csc2ccccc21 ZINC000506808674 564211984 /nfs/dbraw/zinc/21/19/84/564211984.db2.gz YQKGSFLSFFDUJT-UHFFFAOYSA-N 0 2 375.475 2.934 20 0 GFADLN CC[C@H](O)CC(=O)N[C@H](C)c1ccccc1NS(=O)(=O)c1cccs1 ZINC000450360517 564229125 /nfs/dbraw/zinc/22/91/25/564229125.db2.gz 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0 2 392.858 2.956 20 0 GFADLN CCC[N@@H+]1Cc2cccc(NS(=O)(=O)c3ccc(OC)c(C(=O)[O-])c3)c2C1 ZINC000737029611 600544445 /nfs/dbraw/zinc/54/44/45/600544445.db2.gz BXHKWSVRCNHJHS-UHFFFAOYSA-N 0 2 390.461 2.920 20 0 GFADLN CCC[N@H+]1Cc2cccc(NS(=O)(=O)c3ccc(OC)c(C(=O)[O-])c3)c2C1 ZINC000737029611 600544448 /nfs/dbraw/zinc/54/44/48/600544448.db2.gz BXHKWSVRCNHJHS-UHFFFAOYSA-N 0 2 390.461 2.920 20 0 GFADLN CC(C)c1ccc(C[NH+]2CCN(C(=O)CSC[C@H](C)C(=O)[O-])CC2)cc1 ZINC000736617538 600605733 /nfs/dbraw/zinc/60/57/33/600605733.db2.gz OFSODIFZDGABDZ-INIZCTEOSA-N 0 2 378.538 2.908 20 0 GFADLN Cc1cc(S(=O)(=O)N2CC[N@@H+](Cc3ccccc3)C[C@H]2C)ccc1C(=O)[O-] ZINC000285218849 600745800 /nfs/dbraw/zinc/74/58/00/600745800.db2.gz XESJRELTNIJEAS-MRXNPFEDSA-N 0 2 388.489 2.588 20 0 GFADLN Cc1cc(S(=O)(=O)N2CC[N@H+](Cc3ccccc3)C[C@H]2C)ccc1C(=O)[O-] ZINC000285218849 600745803 /nfs/dbraw/zinc/74/58/03/600745803.db2.gz XESJRELTNIJEAS-MRXNPFEDSA-N 0 2 388.489 2.588 20 0 GFADLN 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ZINC000833136556 601416182 /nfs/dbraw/zinc/41/61/82/601416182.db2.gz RLBXZEXMHLXWKW-AWEZNQCLSA-N 0 2 395.450 2.873 20 0 GFADLN Cc1ccccc1Nc1nc(N)nc(C[N@@H+]2CCc3ccccc3[C@H]2C(=O)[O-])n1 ZINC000832978780 601547317 /nfs/dbraw/zinc/54/73/17/601547317.db2.gz BVUXOYUHVFRHJJ-SFHVURJKSA-N 0 2 390.447 2.690 20 0 GFADLN Cc1ccccc1Nc1nc(N)nc(C[N@H+]2CCc3ccccc3[C@H]2C(=O)[O-])n1 ZINC000832978780 601547319 /nfs/dbraw/zinc/54/73/19/601547319.db2.gz BVUXOYUHVFRHJJ-SFHVURJKSA-N 0 2 390.447 2.690 20 0 GFADLN COc1ccc([C@@H]2CCCCCN2C(=O)C[N@@H+]2CC[C@](F)(C(=O)[O-])C2)cc1 ZINC000832265433 601551948 /nfs/dbraw/zinc/55/19/48/601551948.db2.gz NLEUETKFVQAWRC-FXAWDEMLSA-N 0 2 378.444 2.638 20 0 GFADLN COc1ccc([C@@H]2CCCCCN2C(=O)C[N@H+]2CC[C@](F)(C(=O)[O-])C2)cc1 ZINC000832265433 601551951 /nfs/dbraw/zinc/55/19/51/601551951.db2.gz NLEUETKFVQAWRC-FXAWDEMLSA-N 0 2 378.444 2.638 20 0 GFADLN Cc1ccccc1O[C@H](C)C(=O)N1CC[NH+](Cc2ccsc2C(=O)[O-])CC1 ZINC000832978790 601828157 /nfs/dbraw/zinc/82/81/57/601828157.db2.gz 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CCC(C)(C)NC(=O)[C@H](C)[NH+]1CCN([C@H](C(=O)[O-])c2ccc(Cl)cc2)CC1 ZINC000736859113 600079619 /nfs/dbraw/zinc/07/96/19/600079619.db2.gz MBFOXCYHTXXJCH-YOEHRIQHSA-N 0 2 395.931 2.777 20 0 GFADLN Cc1ccc(C(=O)[O-])cc1NC(=O)C[NH+]1CCC(C(=O)OC(C)(C)C)CC1 ZINC000738533847 600144421 /nfs/dbraw/zinc/14/44/21/600144421.db2.gz VHGOKWCLHSMWBP-UHFFFAOYSA-N 0 2 376.453 2.685 20 0 GFADLN O=C([O-])c1ccc(S(=O)(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)s1 ZINC000740177151 600171558 /nfs/dbraw/zinc/17/15/58/600171558.db2.gz HNWWLDZTVUSTQB-UHFFFAOYSA-N 0 2 395.506 2.700 20 0 GFADLN O=C([O-])c1cccc(S(=O)(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)c1 ZINC000738688969 600171695 /nfs/dbraw/zinc/17/16/95/600171695.db2.gz PYTDWTFJHNDUSO-UHFFFAOYSA-N 0 2 389.477 2.639 20 0 GFADLN C[C@H](C(=O)N1C[C@H](C(=O)[O-])c2ccccc21)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000736198955 600365072 /nfs/dbraw/zinc/36/50/72/600365072.db2.gz GGTFAQOMUCTFMJ-BEFAXECRSA-N 0 2 397.450 2.551 20 0 GFADLN C[C@@H]1CCc2c(sc(NC(=O)COC(=O)[C@@H]3CCCC[N@@H+]3C)c2C(=O)[O-])C1 ZINC000737755048 600680385 /nfs/dbraw/zinc/68/03/85/600680385.db2.gz UAMFYKKXTRAVNS-YPMHNXCESA-N 0 2 394.493 2.537 20 0 GFADLN C[C@@H]1CCc2c(sc(NC(=O)COC(=O)[C@@H]3CCCC[N@H+]3C)c2C(=O)[O-])C1 ZINC000737755048 600680386 /nfs/dbraw/zinc/68/03/86/600680386.db2.gz UAMFYKKXTRAVNS-YPMHNXCESA-N 0 2 394.493 2.537 20 0 GFADLN CC[N@H+](C)[C@@H](C(=O)OCC(=O)N(C)c1ccccc1C(=O)[O-])c1ccccc1 ZINC000829608817 600683250 /nfs/dbraw/zinc/68/32/50/600683250.db2.gz QINLTDMVISFYHS-LJQANCHMSA-N 0 2 384.432 2.584 20 0 GFADLN CC[N@@H+](C)[C@@H](C(=O)OCC(=O)N(C)c1ccccc1C(=O)[O-])c1ccccc1 ZINC000829608817 600683253 /nfs/dbraw/zinc/68/32/53/600683253.db2.gz QINLTDMVISFYHS-LJQANCHMSA-N 0 2 384.432 2.584 20 0 GFADLN Cc1c(Cl)c(C(=O)[O-])nn1C[N@@H+]1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000738290630 600706878 /nfs/dbraw/zinc/70/68/78/600706878.db2.gz SSWDCYZQQUQIDL-ZYHUDNBSSA-N 0 2 386.880 2.736 20 0 GFADLN Cc1c(Cl)c(C(=O)[O-])nn1C[N@H+]1CC[C@@H](NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000738290630 600706881 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20 0 GFADLN O=C([O-])c1ccc(OCC[N@H+]2CCC[C@H]2C(=O)NCc2ccco2)c(Cl)c1 ZINC000833321485 600829705 /nfs/dbraw/zinc/82/97/05/600829705.db2.gz UXHYYAWGMBBOAL-INIZCTEOSA-N 0 2 392.839 2.791 20 0 GFADLN Cc1nnc([C@H]2C[N@H+](Cc3c(C(=O)[O-])sc4cccc(F)c43)CCO2)[nH]1 ZINC000832991883 600841751 /nfs/dbraw/zinc/84/17/51/600841751.db2.gz RGQJAMSUJPXOTL-GFCCVEGCSA-N 0 2 376.413 2.739 20 0 GFADLN Cc1nnc([C@H]2C[N@@H+](Cc3c(C(=O)[O-])sc4cccc(F)c43)CCO2)[nH]1 ZINC000832991883 600841754 /nfs/dbraw/zinc/84/17/54/600841754.db2.gz RGQJAMSUJPXOTL-GFCCVEGCSA-N 0 2 376.413 2.739 20 0 GFADLN O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NC(=O)C[NH+]1CCC(C(F)(F)F)CC1 ZINC000833107302 600849287 /nfs/dbraw/zinc/84/92/87/600849287.db2.gz VAAPPPJSDCRDIN-INIZCTEOSA-N 0 2 397.397 2.554 20 0 GFADLN O=C([O-])CCCc1nnc(NC(=O)[C@H]2CCCC[N@@H+]2Cc2ccccc2)s1 ZINC000833229954 600966398 /nfs/dbraw/zinc/96/63/98/600966398.db2.gz DCDZYVGPGSOUHR-OAHLLOKOSA-N 0 2 388.493 2.939 20 0 GFADLN O=C([O-])CCCc1nnc(NC(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)s1 ZINC000833229954 600966400 /nfs/dbraw/zinc/96/64/00/600966400.db2.gz DCDZYVGPGSOUHR-OAHLLOKOSA-N 0 2 388.493 2.939 20 0 GFADLN Cc1[nH+]ccn1-c1ccc(NS(=O)(=O)c2cc(Cl)cc(C(=O)[O-])c2)cn1 ZINC000833009023 600979133 /nfs/dbraw/zinc/97/91/33/600979133.db2.gz IQSLRWTXJQSZAU-UHFFFAOYSA-N 0 2 392.824 2.728 20 0 GFADLN O=C([O-])[C@H](c1ccccc1F)N1CC[NH+](Cc2cnn(-c3ccccc3)c2)CC1 ZINC000833174216 601001156 /nfs/dbraw/zinc/00/11/56/601001156.db2.gz NBMULHHJBYWXLG-NRFANRHFSA-N 0 2 394.450 2.955 20 0 GFADLN COc1cc(C(=O)[O-])cc(NC(=O)N[C@@H](Cn2cc[nH+]c2)C(C)(C)C)c1OC ZINC000831897321 601081340 /nfs/dbraw/zinc/08/13/40/601081340.db2.gz OADZCPYOTJJGMW-HNNXBMFYSA-N 0 2 390.440 2.835 20 0 GFADLN C[C@@H](C[N@@H+](Cc1ccccc1)Cn1nnn(-c2ccccc2)c1=S)C(=O)[O-] ZINC000736583436 601088785 /nfs/dbraw/zinc/08/87/85/601088785.db2.gz QXXUEPBLDIZXEC-HNNXBMFYSA-N 0 2 383.477 2.979 20 0 GFADLN C[C@@H](C[N@H+](Cc1ccccc1)Cn1nnn(-c2ccccc2)c1=S)C(=O)[O-] ZINC000736583436 601088789 /nfs/dbraw/zinc/08/87/89/601088789.db2.gz QXXUEPBLDIZXEC-HNNXBMFYSA-N 0 2 383.477 2.979 20 0 GFADLN CN(Cc1ccnc(-c2nn[nH]n2)c1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000825986334 607488542 /nfs/dbraw/zinc/48/85/42/607488542.db2.gz ZDVXWFJGMAMCRA-CVEARBPZSA-N 0 2 391.262 2.659 20 0 GFADLN C[C@H]1CN(Cc2csc(-c3ccc(C(=O)[O-])cc3)n2)C[C@@H]1[NH+]1CCOCC1 ZINC000828461539 601325270 /nfs/dbraw/zinc/32/52/70/601325270.db2.gz ADYDGUHOZMLZBQ-KSSFIOAISA-N 0 2 387.505 2.661 20 0 GFADLN CCc1oc(C(=O)[O-])cc1COC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000830383405 601466976 /nfs/dbraw/zinc/46/69/76/601466976.db2.gz ANQAGAYWQSKULO-QGZVFWFLSA-N 0 2 387.432 2.875 20 0 GFADLN CCc1oc(C(=O)[O-])cc1COC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000830383405 601466978 /nfs/dbraw/zinc/46/69/78/601466978.db2.gz ANQAGAYWQSKULO-QGZVFWFLSA-N 0 2 387.432 2.875 20 0 GFADLN Cc1sc(C(=O)[O-])cc1C[NH+]1CCN(CC(=O)N[C@H]2CCC[C@@H](C)C2)CC1 ZINC000833033137 601634239 /nfs/dbraw/zinc/63/42/39/601634239.db2.gz WHPSWWQPFXAJDU-PBHICJAKSA-N 0 2 393.553 2.567 20 0 GFADLN CCOC(=O)c1cnc(N2CC[NH+](Cc3cc(C(=O)[O-])sc3C)CC2)s1 ZINC000829889519 601647028 /nfs/dbraw/zinc/64/70/28/601647028.db2.gz CGVFPTZLGSOSSR-UHFFFAOYSA-N 0 2 395.506 2.710 20 0 GFADLN O=C([O-])CCCCNC(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000821518073 601853944 /nfs/dbraw/zinc/85/39/44/601853944.db2.gz RTWBTIKQSXMOJH-MRXNPFEDSA-N 0 2 383.286 2.957 20 0 GFADLN O=C([O-])c1cccc(N2CC(=O)N(C[N@@H+]3CC[C@H](c4ccccc4F)C3)C2=O)c1 ZINC000833330078 601877646 /nfs/dbraw/zinc/87/76/46/601877646.db2.gz MGCXAVYASRCBKX-HNNXBMFYSA-N 0 2 397.406 2.740 20 0 GFADLN O=C([O-])c1cccc(N2CC(=O)N(C[N@H+]3CC[C@H](c4ccccc4F)C3)C2=O)c1 ZINC000833330078 601877649 /nfs/dbraw/zinc/87/76/49/601877649.db2.gz MGCXAVYASRCBKX-HNNXBMFYSA-N 0 2 397.406 2.740 20 0 GFADLN O=C([O-])c1cccc(N2CC(=O)N(C[N@@H+]3CC[C@H](c4cccc(F)c4)C3)C2=O)c1 ZINC000833329337 601877663 /nfs/dbraw/zinc/87/76/63/601877663.db2.gz CFEJRCQKZGHMIT-INIZCTEOSA-N 0 2 397.406 2.740 20 0 GFADLN O=C([O-])c1cccc(N2CC(=O)N(C[N@H+]3CC[C@H](c4cccc(F)c4)C3)C2=O)c1 ZINC000833329337 601877666 /nfs/dbraw/zinc/87/76/66/601877666.db2.gz CFEJRCQKZGHMIT-INIZCTEOSA-N 0 2 397.406 2.740 20 0 GFADLN Cc1cc(C(=O)C[N@@H+]2CCSC[C@H]2CC(=O)[O-])c(C)n1CC(F)(F)F ZINC000832858383 601886775 /nfs/dbraw/zinc/88/67/75/601886775.db2.gz IENUJBKHMFMJBH-GFCCVEGCSA-N 0 2 378.416 2.742 20 0 GFADLN Cc1cc(C(=O)C[N@H+]2CCSC[C@H]2CC(=O)[O-])c(C)n1CC(F)(F)F ZINC000832858383 601886777 /nfs/dbraw/zinc/88/67/77/601886777.db2.gz IENUJBKHMFMJBH-GFCCVEGCSA-N 0 2 378.416 2.742 20 0 GFADLN Cn1c(COc2ccc(Cl)cc2)nn(C[N@@H+]2CC[C@@](C)(C(=O)[O-])C2)c1=S ZINC000833040121 601895601 /nfs/dbraw/zinc/89/56/01/601895601.db2.gz UBQXLQXJJPKQRK-QGZVFWFLSA-N 0 2 396.900 2.938 20 0 GFADLN Cn1c(COc2ccc(Cl)cc2)nn(C[N@H+]2CC[C@@](C)(C(=O)[O-])C2)c1=S ZINC000833040121 601895604 /nfs/dbraw/zinc/89/56/04/601895604.db2.gz UBQXLQXJJPKQRK-QGZVFWFLSA-N 0 2 396.900 2.938 20 0 GFADLN CC1(C)C[N@H+](CCNC(=O)c2cc(NC(=O)[O-])cc(C(F)(F)F)c2)CCO1 ZINC000828074279 601992926 /nfs/dbraw/zinc/99/29/26/601992926.db2.gz DRGCWUJCFVLIME-UHFFFAOYSA-N 0 2 389.374 2.636 20 0 GFADLN CC1(C)C[N@@H+](CCNC(=O)c2cc(NC(=O)[O-])cc(C(F)(F)F)c2)CCO1 ZINC000828074279 601992928 /nfs/dbraw/zinc/99/29/28/601992928.db2.gz DRGCWUJCFVLIME-UHFFFAOYSA-N 0 2 389.374 2.636 20 0 GFADLN Cc1cccc(S(=O)(=O)Nc2ccccc2OCC(F)F)c1-c1nn[nH]n1 ZINC000826303896 607538348 /nfs/dbraw/zinc/53/83/48/607538348.db2.gz LHUYIQBAQJLINA-UHFFFAOYSA-N 0 2 395.391 2.620 20 0 GFADLN C[C@H]1C[NH+](Cc2ccccc2NC(=O)NCCN(C(=O)[O-])C2CC2)C[C@H](C)O1 ZINC000739193692 602072212 /nfs/dbraw/zinc/07/22/12/602072212.db2.gz UOHSPVRFSGKRFX-GJZGRUSLSA-N 0 2 390.484 2.560 20 0 GFADLN C[C@H](NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1)[C@H]1CCCN(C(=O)[O-])C1 ZINC000738979096 602082944 /nfs/dbraw/zinc/08/29/44/602082944.db2.gz MMATYGABPLZEMA-YJBOKZPZSA-N 0 2 385.468 2.509 20 0 GFADLN COc1c(C)c[nH+]c(CNC(=O)NCc2ccc(CCNC(=O)[O-])cc2)c1C ZINC000739849950 602185590 /nfs/dbraw/zinc/18/55/90/602185590.db2.gz YGOPROMCNLKYKO-UHFFFAOYSA-N 0 2 386.452 2.517 20 0 GFADLN COc1ccc(C)cc1C[NH+]1CCN(C(=O)c2ccc(CNC(=O)[O-])cc2)CC1 ZINC000739892885 602271119 /nfs/dbraw/zinc/27/11/19/602271119.db2.gz VFQZAWAPUNIXLR-UHFFFAOYSA-N 0 2 397.475 2.729 20 0 GFADLN Cc1cn(C[N@@H+]2CCC[C@H](CNC(=O)[O-])C2)c(=O)n1-c1ccc(Cl)cc1 ZINC000740196440 602323733 /nfs/dbraw/zinc/32/37/33/602323733.db2.gz DNCABJCZNLWHID-CQSZACIVSA-N 0 2 378.860 2.538 20 0 GFADLN Cc1cn(C[N@H+]2CCC[C@H](CNC(=O)[O-])C2)c(=O)n1-c1ccc(Cl)cc1 ZINC000740196440 602323736 /nfs/dbraw/zinc/32/37/36/602323736.db2.gz DNCABJCZNLWHID-CQSZACIVSA-N 0 2 378.860 2.538 20 0 GFADLN Cc1nn(C)cc1[C@H]1CCC[N@@H+]1CC(=O)Nc1sc(C)c(C)c1C(=O)[O-] ZINC000833015150 602344426 /nfs/dbraw/zinc/34/44/26/602344426.db2.gz GFMIHGKMUMTSHP-CQSZACIVSA-N 0 2 376.482 2.881 20 0 GFADLN Cc1nn(C)cc1[C@H]1CCC[N@H+]1CC(=O)Nc1sc(C)c(C)c1C(=O)[O-] ZINC000833015150 602344428 /nfs/dbraw/zinc/34/44/28/602344428.db2.gz GFMIHGKMUMTSHP-CQSZACIVSA-N 0 2 376.482 2.881 20 0 GFADLN O=C([O-])N[C@@H](Cc1cn(Cc2ccccc2)c[nH+]1)C(=O)N1CCCCCCC1 ZINC000740690460 602495664 /nfs/dbraw/zinc/49/56/64/602495664.db2.gz AKXYDTNUQMEKCE-IBGZPJMESA-N 0 2 384.480 2.903 20 0 GFADLN C[C@H](NC(=O)[O-])C(=O)N(CCCn1cc[nH+]c1)Cc1c(F)cccc1Cl ZINC000738975162 602511623 /nfs/dbraw/zinc/51/16/23/602511623.db2.gz AHZGVTNLPNCWKZ-LBPRGKRZSA-N 0 2 382.823 2.751 20 0 GFADLN CC(C)N(CCCNC(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1)C(=O)[O-] ZINC000739059724 602604639 /nfs/dbraw/zinc/60/46/39/602604639.db2.gz VEENWCJOQVDKCE-INIZCTEOSA-N 0 2 392.500 2.980 20 0 GFADLN C[C@H](NC(=O)N(C)CC[NH+]1CCN(C(=O)[O-])CC1)c1ccc2ccccc2c1 ZINC000738971814 602609924 /nfs/dbraw/zinc/60/99/24/602609924.db2.gz VSTHGBIWGMITEF-INIZCTEOSA-N 0 2 384.480 2.838 20 0 GFADLN C[C@H](NC(=O)[O-])C1CCN(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)CC1 ZINC000739010733 602707688 /nfs/dbraw/zinc/70/76/88/602707688.db2.gz RDTPQIFFCSHJHV-ZDUSSCGKSA-N 0 2 389.431 2.589 20 0 GFADLN CN(CC[NH+]1CCOCC1)C(=O)Nc1ccc(NC(=O)[O-])cc1C(F)(F)F ZINC000739686483 602711841 /nfs/dbraw/zinc/71/18/41/602711841.db2.gz DCNUHEVNICSJBF-UHFFFAOYSA-N 0 2 390.362 2.591 20 0 GFADLN C[C@@H](CC(=O)NCC[NH+]1CCN(C(=O)[O-])CC1)c1cccc(C(F)(F)F)c1 ZINC000738889733 602823591 /nfs/dbraw/zinc/82/35/91/602823591.db2.gz FYVHQVVNWJIHIX-ZDUSSCGKSA-N 0 2 387.402 2.611 20 0 GFADLN Cc1[nH+]c2n(c1C)CCN(C(=O)C1(c3ccccc3)CCN(C(=O)[O-])CC1)C2 ZINC000740231222 602844527 /nfs/dbraw/zinc/84/45/27/602844527.db2.gz HXRNBZPMGFENRT-UHFFFAOYSA-N 0 2 382.464 2.554 20 0 GFADLN C[C@@H]1CN(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)C[C@H](C)N1C(=O)[O-] ZINC000739143691 602883229 /nfs/dbraw/zinc/88/32/29/602883229.db2.gz HFEMTNTWGILRMX-BETUJISGSA-N 0 2 381.502 2.734 20 0 GFADLN O=C([O-])N1CCC[C@@H]1CC(=O)N[C@@H]1CCC[N@H+](Cc2c(F)cccc2F)C1 ZINC000831329326 602908897 /nfs/dbraw/zinc/90/88/97/602908897.db2.gz XUMMBLUJJOWYCX-ZIAGYGMSSA-N 0 2 381.423 2.578 20 0 GFADLN O=C([O-])N1CCC[C@@H]1CC(=O)N[C@@H]1CCC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000831329326 602908899 /nfs/dbraw/zinc/90/88/99/602908899.db2.gz XUMMBLUJJOWYCX-ZIAGYGMSSA-N 0 2 381.423 2.578 20 0 GFADLN CC(C)(CC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1)NC(=O)[O-] ZINC000738733452 603048551 /nfs/dbraw/zinc/04/85/51/603048551.db2.gz VHRXAHZGTFNXAF-CQSZACIVSA-N 0 2 385.867 2.996 20 0 GFADLN CC(C)(CC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1)NC(=O)[O-] ZINC000738733452 603048555 /nfs/dbraw/zinc/04/85/55/603048555.db2.gz VHRXAHZGTFNXAF-CQSZACIVSA-N 0 2 385.867 2.996 20 0 GFADLN Cn1cc[nH+]c1C[C@H](NC(=O)c1ccc(CNC(=O)[O-])cc1)c1ccccc1 ZINC000831037278 603096255 /nfs/dbraw/zinc/09/62/55/603096255.db2.gz TVMJBWYBOKSKAR-SFHVURJKSA-N 0 2 378.432 2.902 20 0 GFADLN CC(C)(C(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1)N1CCN(C(=O)[O-])CC1 ZINC000738661283 603125033 /nfs/dbraw/zinc/12/50/33/603125033.db2.gz GGAVLDYSTWQWKA-UHFFFAOYSA-N 0 2 391.859 2.538 20 0 GFADLN O=C([O-])NC[C@H]1CCC[C@@H]1NC(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000832480956 603258587 /nfs/dbraw/zinc/25/85/87/603258587.db2.gz CFRZBKAVIOLNPB-OCCSQVGLSA-N 0 2 381.502 2.687 20 0 GFADLN C[C@@H]1CN(C(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)CCN1C(=O)[O-] ZINC000825931033 603259199 /nfs/dbraw/zinc/25/91/99/603259199.db2.gz FWHWNQWPGKVQLH-QWHCGFSZSA-N 0 2 381.502 2.591 20 0 GFADLN C[C@@H]1CN(C(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)CCN1C(=O)[O-] ZINC000825931033 603259202 /nfs/dbraw/zinc/25/92/02/603259202.db2.gz FWHWNQWPGKVQLH-QWHCGFSZSA-N 0 2 381.502 2.591 20 0 GFADLN O=C([O-])NC[C@@H](C(=O)NCc1ccccc1Cn1cc[nH+]c1)c1ccccc1 ZINC000832408461 603276153 /nfs/dbraw/zinc/27/61/53/603276153.db2.gz RZEUGKRKULMDMV-LJQANCHMSA-N 0 2 378.432 2.599 20 0 GFADLN CC(C)C[C@H](CNC(=O)[O-])NC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC000824197200 603619246 /nfs/dbraw/zinc/61/92/46/603619246.db2.gz TXDGRKRGTLIPTA-MRXNPFEDSA-N 0 2 377.489 2.553 20 0 GFADLN COc1c(C)c[nH+]c(CN(C)C(=O)NC[C@@H](NC(=O)[O-])c2ccccc2)c1C ZINC000829067358 604224178 /nfs/dbraw/zinc/22/41/78/604224178.db2.gz VAXNJSPMTWUMGU-MRXNPFEDSA-N 0 2 386.452 2.857 20 0 GFADLN O=C([O-])c1ccc(C(=O)NCC[NH+]2CCN(c3cccc(Cl)c3)CC2)s1 ZINC000833311227 604296042 /nfs/dbraw/zinc/29/60/42/604296042.db2.gz CWKCMUYYNNXKLL-UHFFFAOYSA-N 0 2 393.896 2.652 20 0 GFADLN C[C@@H](c1cccc(NC(=O)N[C@](C)(CNC(=O)[O-])C2CC2)c1)[NH+]1CCOCC1 ZINC000825631484 604336480 /nfs/dbraw/zinc/33/64/80/604336480.db2.gz YSZJKYNFPQDQJZ-VBKZILBWSA-N 0 2 390.484 2.638 20 0 GFADLN Cc1cc(CNc2ccc(N3CCC(CO)CC3)c[nH+]2)cc(C)c1OCC(=O)[O-] ZINC000832886597 604355645 /nfs/dbraw/zinc/35/56/45/604355645.db2.gz VHBHNFSTHSQDJR-UHFFFAOYSA-N 0 2 399.491 2.983 20 0 GFADLN CC[C@@H]1CN(c2nc[nH+]c(N3CCS[C@@H](CC)C3)c2C(=O)[O-])CCS1 ZINC000829160021 604460680 /nfs/dbraw/zinc/46/06/80/604460680.db2.gz BMSOCOPTUDUTLZ-BETUJISGSA-N 0 2 382.555 2.838 20 0 GFADLN CC[C@@H]1CN(c2[nH+]cnc(N3CCS[C@@H](CC)C3)c2C(=O)[O-])CCS1 ZINC000829160021 604460683 /nfs/dbraw/zinc/46/06/83/604460683.db2.gz BMSOCOPTUDUTLZ-BETUJISGSA-N 0 2 382.555 2.838 20 0 GFADLN COC(=O)c1cc(NC(=O)C[N@@H+]2CCC[C@H]2c2cccc(C)n2)cc(C(=O)[O-])c1 ZINC000831268571 604497643 /nfs/dbraw/zinc/49/76/43/604497643.db2.gz AIEKRDYQLSQGDW-SFHVURJKSA-N 0 2 397.431 2.650 20 0 GFADLN COC(=O)c1cc(NC(=O)C[N@H+]2CCC[C@H]2c2cccc(C)n2)cc(C(=O)[O-])c1 ZINC000831268571 604497646 /nfs/dbraw/zinc/49/76/46/604497646.db2.gz AIEKRDYQLSQGDW-SFHVURJKSA-N 0 2 397.431 2.650 20 0 GFADLN C[C@H](c1nc(-c2cccs2)no1)N1CC[NH+](Cc2c[nH]c(C(=O)[O-])c2)CC1 ZINC000833551334 604617249 /nfs/dbraw/zinc/61/72/49/604617249.db2.gz SQVSOOSJBHKEMN-GFCCVEGCSA-N 0 2 387.465 2.703 20 0 GFADLN C[C@H](NC(=O)[O-])[C@H]1C[N@H+](Cc2c(-c3ccccc3)nc3ccccn32)CCO1 ZINC000825353898 604632224 /nfs/dbraw/zinc/63/22/24/604632224.db2.gz YNFQQMRJDYJNAO-MAUKXSAKSA-N 0 2 380.448 2.858 20 0 GFADLN C[C@H](NC(=O)[O-])[C@H]1C[N@@H+](Cc2c(-c3ccccc3)nc3ccccn32)CCO1 ZINC000825353898 604632228 /nfs/dbraw/zinc/63/22/28/604632228.db2.gz YNFQQMRJDYJNAO-MAUKXSAKSA-N 0 2 380.448 2.858 20 0 GFADLN CC[C@@H](c1ccccc1)[N@H+](CC(=O)[O-])CC(=O)NC(=O)NCc1ccccc1 ZINC000829026114 604651169 /nfs/dbraw/zinc/65/11/69/604651169.db2.gz GTTAKDFLDCWLQH-SFHVURJKSA-N 0 2 383.448 2.550 20 0 GFADLN CC[C@@H](c1ccccc1)[N@@H+](CC(=O)[O-])CC(=O)NC(=O)NCc1ccccc1 ZINC000829026114 604651172 /nfs/dbraw/zinc/65/11/72/604651172.db2.gz GTTAKDFLDCWLQH-SFHVURJKSA-N 0 2 383.448 2.550 20 0 GFADLN O=C([O-])COc1ccc(NC(=O)N2CCC(n3cc[nH+]c3)CC2)cc1Cl ZINC000833255346 604919336 /nfs/dbraw/zinc/91/93/36/604919336.db2.gz HVKTZJAVHPPYIW-UHFFFAOYSA-N 0 2 378.816 2.869 20 0 GFADLN C[C@H](c1cccnc1)[NH+]1CCN(C(=O)Nc2ccc3[nH]nc(C(=O)[O-])c3c2)CC1 ZINC000833548217 604922001 /nfs/dbraw/zinc/92/20/01/604922001.db2.gz BQQURUIJTWCXAJ-CYBMUJFWSA-N 0 2 394.435 2.567 20 0 GFADLN C[C@@H]1CCCN(C(=O)C[NH2+][C@](C)(C(=O)[O-])c2cccc(Br)c2)C1 ZINC000833614020 604950112 /nfs/dbraw/zinc/95/01/12/604950112.db2.gz DDJPYZBGDVWJRN-PXAZEXFGSA-N 0 2 383.286 2.597 20 0 GFADLN Cc1cnc(C[N@@H+](C)[C@@H]2CCN(C(=O)Nc3ccc(C(=O)[O-])cc3F)C2)o1 ZINC000821141068 604955423 /nfs/dbraw/zinc/95/54/23/604955423.db2.gz UELVXOOWUZCSKK-CYBMUJFWSA-N 0 2 376.388 2.559 20 0 GFADLN Cc1cnc(C[N@H+](C)[C@@H]2CCN(C(=O)Nc3ccc(C(=O)[O-])cc3F)C2)o1 ZINC000821141068 604955426 /nfs/dbraw/zinc/95/54/26/604955426.db2.gz UELVXOOWUZCSKK-CYBMUJFWSA-N 0 2 376.388 2.559 20 0 GFADLN Cc1c(C(=O)[O-])sc2[nH]c(C[N@@H+](C)[C@H](C)[C@@H]3Cc4ccccc4O3)nc(=O)c12 ZINC000833741498 604964217 /nfs/dbraw/zinc/96/42/17/604964217.db2.gz PIGLTXRDVMVPOD-RISCZKNCSA-N 0 2 399.472 2.815 20 0 GFADLN Cc1c(C(=O)[O-])sc2[nH]c(C[N@H+](C)[C@H](C)[C@@H]3Cc4ccccc4O3)nc(=O)c12 ZINC000833741498 604964220 /nfs/dbraw/zinc/96/42/20/604964220.db2.gz PIGLTXRDVMVPOD-RISCZKNCSA-N 0 2 399.472 2.815 20 0 GFADLN C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@@H+]1CC(=O)Nc1ccsc1C(=O)[O-] ZINC000833600928 604970384 /nfs/dbraw/zinc/97/03/84/604970384.db2.gz OYAIGWAYASZCSA-NEPJUHHUSA-N 0 2 397.497 2.762 20 0 GFADLN C[C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CC[N@H+]1CC(=O)Nc1ccsc1C(=O)[O-] ZINC000833600928 604970386 /nfs/dbraw/zinc/97/03/86/604970386.db2.gz OYAIGWAYASZCSA-NEPJUHHUSA-N 0 2 397.497 2.762 20 0 GFADLN O=C([O-])[C@H](O)C1CC[NH+](Cc2cc(Br)ccc2OC(F)F)CC1 ZINC000833771274 604986237 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393.484 2.842 20 0 GFADLN Cc1[nH]c(C(=O)[C@H](C)[N@H+]2CC[C@@H](N(C)C(=O)OC(C)(C)C)C2)c(C)c1C(=O)[O-] ZINC000832842483 601385737 /nfs/dbraw/zinc/38/57/37/601385737.db2.gz CKILQCWSWQNOLI-UONOGXRCSA-N 0 2 393.484 2.842 20 0 GFADLN O=C([O-])C[C@H](NC(=O)NCc1cn2c([nH+]1)CCCC2)c1ccc(Cl)cc1 ZINC000833266335 601415203 /nfs/dbraw/zinc/41/52/03/601415203.db2.gz ZJVARJYBXNMLOS-HNNXBMFYSA-N 0 2 376.844 2.888 20 0 GFADLN COc1cc2nc(C[N@@H+]3CCc4ccccc4[C@@H]3C(=O)[O-])[nH]c(=O)c2cc1OC ZINC000832112675 601542021 /nfs/dbraw/zinc/54/20/21/601542021.db2.gz WCDGGRWQLQRLJU-LJQANCHMSA-N 0 2 395.415 2.537 20 0 GFADLN COc1cc2nc(C[N@H+]3CCc4ccccc4[C@@H]3C(=O)[O-])[nH]c(=O)c2cc1OC ZINC000832112675 601542022 /nfs/dbraw/zinc/54/20/22/601542022.db2.gz WCDGGRWQLQRLJU-LJQANCHMSA-N 0 2 395.415 2.537 20 0 GFADLN Cc1cc(C(=O)N2CC[NH+](Cc3ccsc3)CC2)cc(C)c1OCC(=O)[O-] ZINC000832861312 601674765 /nfs/dbraw/zinc/67/47/65/601674765.db2.gz ABJQQKFXNRLMCP-UHFFFAOYSA-N 0 2 388.489 2.786 20 0 GFADLN C[C@@H]1C[N@H+](Cn2nc(COc3ccc(Cl)cc3)n(C)c2=S)C[C@@H]1C(=O)[O-] ZINC000828471315 601819531 /nfs/dbraw/zinc/81/95/31/601819531.db2.gz NCUJRYSLXOUSSN-RISCZKNCSA-N 0 2 396.900 2.793 20 0 GFADLN C[C@@H]1C[N@@H+](Cn2nc(COc3ccc(Cl)cc3)n(C)c2=S)C[C@@H]1C(=O)[O-] ZINC000828471315 601819532 /nfs/dbraw/zinc/81/95/32/601819532.db2.gz NCUJRYSLXOUSSN-RISCZKNCSA-N 0 2 396.900 2.793 20 0 GFADLN COc1ccc(Cc2nn(C[N@@H+]3CC[C@](C)(C(=O)[O-])C3)c(=S)o2)cc1OC ZINC000832362214 601894308 /nfs/dbraw/zinc/89/43/08/601894308.db2.gz ACYWDIOFYVSRKZ-SFHVURJKSA-N 0 2 393.465 2.568 20 0 GFADLN COc1ccc(Cc2nn(C[N@H+]3CC[C@](C)(C(=O)[O-])C3)c(=S)o2)cc1OC ZINC000832362214 601894311 /nfs/dbraw/zinc/89/43/11/601894311.db2.gz ACYWDIOFYVSRKZ-SFHVURJKSA-N 0 2 393.465 2.568 20 0 GFADLN O=C([O-])N1[C@H](C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C[C@H]2CCCC[C@@H]21 ZINC000740443811 601908041 /nfs/dbraw/zinc/90/80/41/601908041.db2.gz ADOHSDVNNAWPBA-HFTRVMKXSA-N 0 2 386.427 2.939 20 0 GFADLN O=C([O-])c1ccc(C[NH+]2CCN(CC(=O)N3CCCc4ccccc43)CC2)s1 ZINC000833314478 601954305 /nfs/dbraw/zinc/95/43/05/601954305.db2.gz SFXBUBGGZBZISJ-UHFFFAOYSA-N 0 2 399.516 2.543 20 0 GFADLN C[C@H](NC(=O)c1cc(NC(=O)[O-])cc(C(F)(F)F)c1)[C@H](C)[NH+]1CCOCC1 ZINC000827695715 602002008 /nfs/dbraw/zinc/00/20/08/602002008.db2.gz VTDLUVVUVSUPMA-QWRGUYRKSA-N 0 2 389.374 2.634 20 0 GFADLN O=C([O-])[C@]1(F)CCN(C(=O)[C@H](c2ccc(Br)cc2)[NH+]2CCCC2)C1 ZINC000833091705 602047353 /nfs/dbraw/zinc/04/73/53/602047353.db2.gz DJHXPOKUHSVGCG-YOEHRIQHSA-N 0 2 399.260 2.611 20 0 GFADLN COc1c(C)c[nH+]c(CNC(=O)c2cccn2C2CCN(C(=O)[O-])CC2)c1C ZINC000739849741 602163444 /nfs/dbraw/zinc/16/34/44/602163444.db2.gz VOWBEMAHZVAJDQ-UHFFFAOYSA-N 0 2 386.452 2.753 20 0 GFADLN O=C([O-])N1CCC(C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)(c2ccccc2)CC1 ZINC000740495162 602304339 /nfs/dbraw/zinc/30/43/39/602304339.db2.gz XQHKLLDHLWQVJB-SFHVURJKSA-N 0 2 382.464 2.758 20 0 GFADLN C[C@H]1CCN(S(=O)(=O)c2cc(Cl)ccc2C(=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000828295414 602320735 /nfs/dbraw/zinc/32/07/35/602320735.db2.gz GILUKJKBDWCXTC-SMDDNHRTSA-N 0 2 383.857 2.507 20 0 GFADLN COc1cccc([C@@H](C)[NH+]2CCN(C(=O)C3CCC(NC(=O)[O-])CC3)CC2)c1 ZINC000739946958 602363172 /nfs/dbraw/zinc/36/31/72/602363172.db2.gz ZXDJMSFZKRODAV-KLHKWILBSA-N 0 2 389.496 2.727 20 0 GFADLN CCc1ccccc1Nc1nc(N)nc(C[NH+]2CCC(CN(C)C(=O)[O-])CC2)n1 ZINC000739551786 602386648 /nfs/dbraw/zinc/38/66/48/602386648.db2.gz ZKLXHSHNZJYSPU-UHFFFAOYSA-N 0 2 399.499 2.582 20 0 GFADLN CN(CC[NH+]1CCN(C(=O)[O-])CC1)C(=O)Nc1cc(Cl)ccc1Cl ZINC000739685489 602553747 /nfs/dbraw/zinc/55/37/47/602553747.db2.gz WDRDDTKUZGJSNW-UHFFFAOYSA-N 0 2 375.256 2.753 20 0 GFADLN C[C@H](c1cccc(NC(=O)N2CCC(CNC(=O)[O-])CC2)c1)[NH+]1CCOCC1 ZINC000739060710 602604344 /nfs/dbraw/zinc/60/43/44/602604344.db2.gz ZIRATOUGYXGXQW-OAHLLOKOSA-N 0 2 390.484 2.591 20 0 GFADLN C[C@H]1C[N@H+](CC(=O)Nc2nc(-c3cccs3)cs2)CC[C@@H]1NC(=O)[O-] ZINC000739178155 602784845 /nfs/dbraw/zinc/78/48/45/602784845.db2.gz ISSURSVFJZROKT-QWRGUYRKSA-N 0 2 380.495 2.788 20 0 GFADLN C[C@H]1C[N@@H+](CC(=O)Nc2nc(-c3cccs3)cs2)CC[C@@H]1NC(=O)[O-] ZINC000739178155 602784846 /nfs/dbraw/zinc/78/48/46/602784846.db2.gz ISSURSVFJZROKT-QWRGUYRKSA-N 0 2 380.495 2.788 20 0 GFADLN C[N@H+](CCN1CCN(C(=O)[O-])CC1)Cc1ncc(-c2cccc(Cl)c2)o1 ZINC000739684826 602871368 /nfs/dbraw/zinc/87/13/68/602871368.db2.gz QJXXSLKEEIVBAE-UHFFFAOYSA-N 0 2 378.860 2.722 20 0 GFADLN C[N@@H+](CCN1CCN(C(=O)[O-])CC1)Cc1ncc(-c2cccc(Cl)c2)o1 ZINC000739684826 602871371 /nfs/dbraw/zinc/87/13/71/602871371.db2.gz QJXXSLKEEIVBAE-UHFFFAOYSA-N 0 2 378.860 2.722 20 0 GFADLN C[C@H](c1cccc(NC(=O)N[C@@H]2CCCCN(C(=O)[O-])C2)c1)[NH+]1CCOCC1 ZINC000739055601 602952504 /nfs/dbraw/zinc/95/25/04/602952504.db2.gz GMCBDJOMFGTUKI-CRAIPNDOSA-N 0 2 390.484 2.734 20 0 GFADLN CCN(C(=O)C[C@@H](C)NC(=O)[O-])C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000826969723 602978927 /nfs/dbraw/zinc/97/89/27/602978927.db2.gz IXQMRYRDIZESJR-OAHLLOKOSA-N 0 2 391.516 2.772 20 0 GFADLN CC[C@H](C)[C@@H](NC(=O)[O-])C(=O)NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000739233538 602986784 /nfs/dbraw/zinc/98/67/84/602986784.db2.gz SODNBUNOHNFNMB-KBXCAEBGSA-N 0 2 376.501 2.520 20 0 GFADLN CCOc1ccc(C[NH+]2CCN(C(=O)[C@H]3CCC[C@H](NC(=O)[O-])C3)CC2)cc1 ZINC000739502116 603234164 /nfs/dbraw/zinc/23/41/64/603234164.db2.gz NAEZQERWYYZWLE-ROUUACIJSA-N 0 2 389.496 2.556 20 0 GFADLN O=C([O-])NC[C@@H]1CCC[C@@H]1NC(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000832480955 603258521 /nfs/dbraw/zinc/25/85/21/603258521.db2.gz CFRZBKAVIOLNPB-JSGCOSHPSA-N 0 2 381.502 2.687 20 0 GFADLN C[C@H](c1cccnc1)[NH+]1CCN(C(=O)Nc2cccc(CNC(=O)[O-])c2)CC1 ZINC000739059541 603320170 /nfs/dbraw/zinc/32/01/70/603320170.db2.gz KNHTVBUUIOZNDT-OAHLLOKOSA-N 0 2 383.452 2.760 20 0 GFADLN COc1ccc(-n2ccn(C[N@@H+]3CC[C@H](NC(=O)[O-])[C@H](C)C3)c2=S)cc1 ZINC000739885039 603400034 /nfs/dbraw/zinc/40/00/34/603400034.db2.gz XZCGSTSPDWUSTF-CJNGLKHVSA-N 0 2 376.482 2.952 20 0 GFADLN COc1ccc(-n2ccn(C[N@H+]3CC[C@H](NC(=O)[O-])[C@H](C)C3)c2=S)cc1 ZINC000739885039 603400037 /nfs/dbraw/zinc/40/00/37/603400037.db2.gz XZCGSTSPDWUSTF-CJNGLKHVSA-N 0 2 376.482 2.952 20 0 GFADLN CC[N@@H+]1CCc2nc3ccccc3c(C(=O)NC[C@H](NC(=O)[O-])C(C)C)c2C1 ZINC000739459436 603410316 /nfs/dbraw/zinc/41/03/16/603410316.db2.gz GNSNAUGHPASBMQ-SFHVURJKSA-N 0 2 384.480 2.635 20 0 GFADLN CC[N@H+]1CCc2nc3ccccc3c(C(=O)NC[C@H](NC(=O)[O-])C(C)C)c2C1 ZINC000739459436 603410318 /nfs/dbraw/zinc/41/03/18/603410318.db2.gz GNSNAUGHPASBMQ-SFHVURJKSA-N 0 2 384.480 2.635 20 0 GFADLN O=C([O-])N[C@@H]1CCC[C@@H](c2nc(-c3cccc(C[NH+]4CCOCC4)c3)no2)C1 ZINC000832332239 603418259 /nfs/dbraw/zinc/41/82/59/603418259.db2.gz LPANEEQHXMFFJD-IAGOWNOFSA-N 0 2 386.452 2.863 20 0 GFADLN CC(C)[C@H](CCN(C)C(=O)NCc1cc[nH+]c(N2CCCCC2)c1)NC(=O)[O-] ZINC000824084221 603617916 /nfs/dbraw/zinc/61/79/16/603617916.db2.gz KDOSVTWLNXKBLQ-KRWDZBQOSA-N 0 2 391.516 2.896 20 0 GFADLN C[C@H](c1cccc(NC(=O)N(C)C2CCN(C(=O)[O-])CC2)c1)[NH+]1CCOCC1 ZINC000825629868 604013172 /nfs/dbraw/zinc/01/31/72/604013172.db2.gz JRVVDHQAAAANJT-OAHLLOKOSA-N 0 2 390.484 2.686 20 0 GFADLN CN(CC[NH+]1CCN(C(=O)[O-])CC1)C(=O)Nc1ccc(Cl)cc1Cl ZINC000828316931 604028791 /nfs/dbraw/zinc/02/87/91/604028791.db2.gz YORMKAJLICCRDB-UHFFFAOYSA-N 0 2 375.256 2.753 20 0 GFADLN Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(OCCCNC(=O)[O-])CC2)c(F)c1 ZINC000830357206 604107562 /nfs/dbraw/zinc/10/75/62/604107562.db2.gz FIWWNLZBRYCLDD-CQSZACIVSA-N 0 2 381.448 2.600 20 0 GFADLN C[C@H](CC(=O)N1CC[NH+](Cc2cccs2)CC1)[C@@H]1CCCN(C(=O)[O-])C1 ZINC000824600447 604288762 /nfs/dbraw/zinc/28/87/62/604288762.db2.gz XVULVQPIEKSBHH-HZPDHXFCSA-N 0 2 379.526 2.809 20 0 GFADLN CCc1ccc(C[NH+]2CCN(C(=O)c3c(C)[nH]c(C(=O)[O-])c3C)CC2)s1 ZINC000737902852 604319275 /nfs/dbraw/zinc/31/92/75/604319275.db2.gz KKNMJLAJUYVAAS-UHFFFAOYSA-N 0 2 375.494 2.912 20 0 GFADLN COc1cc(C[N@H+](C)[C@H](C(=O)[O-])c2cc(OC)cc(OC)c2)cc(OC)c1 ZINC000831989699 604460261 /nfs/dbraw/zinc/46/02/61/604460261.db2.gz LJJKKVVXQILFSP-IBGZPJMESA-N 0 2 375.421 2.979 20 0 GFADLN COc1cc(C[N@@H+](C)[C@H](C(=O)[O-])c2cc(OC)cc(OC)c2)cc(OC)c1 ZINC000831989699 604460264 /nfs/dbraw/zinc/46/02/64/604460264.db2.gz LJJKKVVXQILFSP-IBGZPJMESA-N 0 2 375.421 2.979 20 0 GFADLN Cc1cc(C[NH+]2CCN(C(=O)c3ccccc3)CC2)cc(C)c1OCC(=O)[O-] ZINC000832882256 604474132 /nfs/dbraw/zinc/47/41/32/604474132.db2.gz AVHYZTSABVHVDS-UHFFFAOYSA-N 0 2 382.460 2.725 20 0 GFADLN CC[C@H](c1ccccc1)[N@H+](CC(=O)[O-])CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000829028703 604651928 /nfs/dbraw/zinc/65/19/28/604651928.db2.gz XBXKGIWZQXYLKG-QGZVFWFLSA-N 0 2 384.432 2.934 20 0 GFADLN CC[C@H](c1ccccc1)[N@@H+](CC(=O)[O-])CC(=O)Nc1ccc2c(c1)OCCO2 ZINC000829028703 604651932 /nfs/dbraw/zinc/65/19/32/604651932.db2.gz XBXKGIWZQXYLKG-QGZVFWFLSA-N 0 2 384.432 2.934 20 0 GFADLN CC(C)(C)OC(=O)N1CCc2cccc(C[N@@H+]3CCO[C@H](CC(=O)[O-])C3)c21 ZINC000833437452 604652192 /nfs/dbraw/zinc/65/21/92/604652192.db2.gz GKOPTAHGJAZBLZ-MRXNPFEDSA-N 0 2 376.453 2.660 20 0 GFADLN CC(C)(C)OC(=O)N1CCc2cccc(C[N@H+]3CCO[C@H](CC(=O)[O-])C3)c21 ZINC000833437452 604652194 /nfs/dbraw/zinc/65/21/94/604652194.db2.gz GKOPTAHGJAZBLZ-MRXNPFEDSA-N 0 2 376.453 2.660 20 0 GFADLN Cc1cc(C[N@@H+]2CCOC[C@@H]2C[C@H](O)c2ccco2)cc(C)c1OCC(=O)[O-] ZINC000833745309 604766438 /nfs/dbraw/zinc/76/64/38/604766438.db2.gz BVLPCEOVQYWCJJ-ROUUACIJSA-N 0 2 389.448 2.684 20 0 GFADLN Cc1cc(C[N@H+]2CCOC[C@@H]2C[C@H](O)c2ccco2)cc(C)c1OCC(=O)[O-] ZINC000833745309 604766441 /nfs/dbraw/zinc/76/64/41/604766441.db2.gz BVLPCEOVQYWCJJ-ROUUACIJSA-N 0 2 389.448 2.684 20 0 GFADLN CC1=C(C(=O)[O-])C[C@H](C[N@@H+]2CCO[C@@H](c3ccc(Br)cc3)C2)O1 ZINC000833581519 604825925 /nfs/dbraw/zinc/82/59/25/604825925.db2.gz XSQHNXNXTKBTDW-GDBMZVCRSA-N 0 2 382.254 2.970 20 0 GFADLN CC1=C(C(=O)[O-])C[C@H](C[N@H+]2CCO[C@@H](c3ccc(Br)cc3)C2)O1 ZINC000833581519 604825929 /nfs/dbraw/zinc/82/59/29/604825929.db2.gz XSQHNXNXTKBTDW-GDBMZVCRSA-N 0 2 382.254 2.970 20 0 GFADLN Cc1cnc(C[N@@H+](C)[C@@H]2CCN(C(=O)Nc3ccc(F)c(NC(=O)[O-])c3)C2)o1 ZINC000832985655 604953785 /nfs/dbraw/zinc/95/37/85/604953785.db2.gz KFQCOACEVIBZAR-CYBMUJFWSA-N 0 2 391.403 2.950 20 0 GFADLN Cc1cnc(C[N@H+](C)[C@@H]2CCN(C(=O)Nc3ccc(F)c(NC(=O)[O-])c3)C2)o1 ZINC000832985655 604953791 /nfs/dbraw/zinc/95/37/91/604953791.db2.gz KFQCOACEVIBZAR-CYBMUJFWSA-N 0 2 391.403 2.950 20 0 GFADLN Cc1cnc(C[N@@H+](C)[C@@H]2CCN(C(=O)Nc3ccc(C(=O)[O-])c(F)c3)C2)o1 ZINC000832985391 604963470 /nfs/dbraw/zinc/96/34/70/604963470.db2.gz FANWGERTQUATRV-CYBMUJFWSA-N 0 2 376.388 2.559 20 0 GFADLN Cc1cnc(C[N@H+](C)[C@@H]2CCN(C(=O)Nc3ccc(C(=O)[O-])c(F)c3)C2)o1 ZINC000832985391 604963473 /nfs/dbraw/zinc/96/34/73/604963473.db2.gz FANWGERTQUATRV-CYBMUJFWSA-N 0 2 376.388 2.559 20 0 GFADLN C[C@H](c1nc(Cc2ccc(Cl)cc2)no1)[NH+]1CCC([C@@H](O)C(=O)[O-])CC1 ZINC000833549891 604984729 /nfs/dbraw/zinc/98/47/29/604984729.db2.gz HZQHJYRFRYEBAE-BDJLRTHQSA-N 0 2 379.844 2.532 20 0 GFADLN C[N@@H+]1CC[C@H](NC(=O)c2cncc(C(=O)[O-])c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000833697659 605033165 /nfs/dbraw/zinc/03/31/65/605033165.db2.gz IHFRIUNJTZIOFS-HOTGVXAUSA-N 0 2 377.803 2.748 20 0 GFADLN C[N@H+]1CC[C@H](NC(=O)c2cncc(C(=O)[O-])c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000833697659 605033168 /nfs/dbraw/zinc/03/31/68/605033168.db2.gz IHFRIUNJTZIOFS-HOTGVXAUSA-N 0 2 377.803 2.748 20 0 GFADLN C[N@@H+]1CC[C@@H](NC(=O)c2cncc(C(=O)[O-])c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000833697658 605033334 /nfs/dbraw/zinc/03/33/34/605033334.db2.gz IHFRIUNJTZIOFS-CVEARBPZSA-N 0 2 377.803 2.748 20 0 GFADLN C[N@H+]1CC[C@@H](NC(=O)c2cncc(C(=O)[O-])c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000833697658 605033337 /nfs/dbraw/zinc/03/33/37/605033337.db2.gz IHFRIUNJTZIOFS-CVEARBPZSA-N 0 2 377.803 2.748 20 0 GFADLN Cc1nc(-c2ccc(C)cc2C)sc1C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)[O-] ZINC000833746738 605075544 /nfs/dbraw/zinc/07/55/44/605075544.db2.gz PGBDTQHRIBLCOK-HNNXBMFYSA-N 0 2 384.461 2.884 20 0 GFADLN Cc1nc(-c2ccc(C)cc2C)sc1C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)[O-] ZINC000833746738 605075551 /nfs/dbraw/zinc/07/55/51/605075551.db2.gz PGBDTQHRIBLCOK-HNNXBMFYSA-N 0 2 384.461 2.884 20 0 GFADLN O=C([O-])N1CCc2ccccc2[C@H]1C(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC000831720412 605603810 /nfs/dbraw/zinc/60/38/10/605603810.db2.gz VJCJOFSVIVNODN-FQEVSTJZSA-N 0 2 390.443 2.825 20 0 GFADLN Cc1cccn2cc(CCNC(=O)N3CCC(CCN(C)C(=O)[O-])CC3)[nH+]c12 ZINC000833909872 605641601 /nfs/dbraw/zinc/64/16/01/605641601.db2.gz SEJHAAONUVSYHE-UHFFFAOYSA-N 0 2 387.484 2.607 20 0 GFADLN Cn1cc[nH+]c1C[C@H](NC(=O)CCC1CCN(C(=O)[O-])CC1)c1ccccc1 ZINC000833955203 606047439 /nfs/dbraw/zinc/04/74/39/606047439.db2.gz FMJHOIWJSYJDHO-SFHVURJKSA-N 0 2 384.480 2.990 20 0 GFADLN O=S(=O)(Nc1cccnc1-c1ccccc1)c1ccccc1-c1nn[nH]n1 ZINC000826492730 607849300 /nfs/dbraw/zinc/84/93/00/607849300.db2.gz AHRUJSJZVQHYOO-UHFFFAOYSA-N 0 2 378.417 2.730 20 0 GFADLN Cc1[nH]c(=O)c(-c2nn[nH]n2)c(C)c1CCC(=O)N1CCCC12CCCCC2 ZINC000826233252 608009381 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C[C@H](CNC(=O)[O-])[N@@H+](C)CC(=O)Nc1ccc(Br)cc1Cl ZINC000738937950 602555260 /nfs/dbraw/zinc/55/52/60/602555260.db2.gz GWXOYTWFDAZMRS-MRVPVSSYSA-N 0 2 378.654 2.629 20 0 GFADLN CC(=O)NCc1ccc(-c2csc(C[NH+]3CCC(NC(=O)[O-])CC3)n2)s1 ZINC000738557179 602650112 /nfs/dbraw/zinc/65/01/12/602650112.db2.gz YQRGJYUIFJILKS-UHFFFAOYSA-N 0 2 394.522 2.740 20 0 GFADLN CN(C)c1ccc([NH+]2CCC(NC(=O)[C@@H]3CCC[C@H](NC(=O)[O-])C3)CC2)cc1 ZINC000739618923 602783414 /nfs/dbraw/zinc/78/34/14/602783414.db2.gz PUMMVPJBBPAYNA-WBVHZDCISA-N 0 2 388.512 2.664 20 0 GFADLN CC(C)(C(=O)N1CC=C(c2ccc(F)cc2)CC1)[NH+]1CCN(C(=O)[O-])CC1 ZINC000738649534 603165028 /nfs/dbraw/zinc/16/50/28/603165028.db2.gz CMLKBIZGCVKSCX-UHFFFAOYSA-N 0 2 375.444 2.516 20 0 GFADLN CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)C1CCC(NC(=O)[O-])CC1 ZINC000827104666 603221530 /nfs/dbraw/zinc/22/15/30/603221530.db2.gz IUCIRTHHDQEXBJ-UHFFFAOYSA-N 0 2 388.512 2.973 20 0 GFADLN C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N2CCC[C@@H]2CNC(=O)[O-])C[C@@H](C)O1 ZINC000826067976 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GFADLN CCC(C)(C)NC(=O)[C@@H](C)[NH+]1CCN([C@@H](C(=O)[O-])c2cccc(Cl)c2)CC1 ZINC000828611698 604360248 /nfs/dbraw/zinc/36/02/48/604360248.db2.gz AGQNFDYBMQFEDJ-RHSMWYFYSA-N 0 2 395.931 2.777 20 0 GFADLN C[C@@H]1CCCC[C@@H]1NC(=O)[C@H](Cc1cn(Cc2ccccc2)c[nH+]1)NC(=O)[O-] ZINC000825894404 604419680 /nfs/dbraw/zinc/41/96/80/604419680.db2.gz GYFWHXBZUAYEDC-MNEFBYGVSA-N 0 2 384.480 2.805 20 0 GFADLN C[N@H+](CC(=O)N1N=C(c2ccco2)C[C@@H]1c1ccco1)C1(C(=O)[O-])CCCC1 ZINC000830669470 604461196 /nfs/dbraw/zinc/46/11/96/604461196.db2.gz CGQAYJVFXFQHTP-OAHLLOKOSA-N 0 2 385.420 2.880 20 0 GFADLN C[N@@H+](CC(=O)N1N=C(c2ccco2)C[C@@H]1c1ccco1)C1(C(=O)[O-])CCCC1 ZINC000830669470 604461201 /nfs/dbraw/zinc/46/12/01/604461201.db2.gz CGQAYJVFXFQHTP-OAHLLOKOSA-N 0 2 385.420 2.880 20 0 GFADLN C[C@H](Oc1ccc(C[NH+]2CCN(C(=O)NC3CCCCC3)CC2)cc1)C(=O)[O-] ZINC000833543721 604533107 /nfs/dbraw/zinc/53/31/07/604533107.db2.gz VCMWQQMLIZBWNR-INIZCTEOSA-N 0 2 389.496 2.698 20 0 GFADLN 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ZINC000833698302 604909308 /nfs/dbraw/zinc/90/93/08/604909308.db2.gz NBAZXXPLFJPCSA-DOTOQJQBSA-N 0 2 394.880 2.762 20 0 GFADLN O=C([O-])COc1ccc(NC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)cc1Cl ZINC000833256876 604911634 /nfs/dbraw/zinc/91/16/34/604911634.db2.gz UJGUMKWMEITUBE-UHFFFAOYSA-N 0 2 378.816 2.938 20 0 GFADLN Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N[C@@H]2CCCN(C(=O)[O-])C2)c(C)c1 ZINC000833749759 604991614 /nfs/dbraw/zinc/99/16/14/604991614.db2.gz XYCSOIQLKVNGFS-AEFFLSMTSA-N 0 2 385.468 2.683 20 0 GFADLN CC1=C(C(=O)[O-])C[C@@H](C[NH+]2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)O1 ZINC000833581690 604995173 /nfs/dbraw/zinc/99/51/73/604995173.db2.gz YZOMJFXVFFAAKK-HNNXBMFYSA-N 0 2 398.381 2.611 20 0 GFADLN Cc1ccc([C@@H](Cn2cc[nH+]c2)NS(=O)(=O)c2ccc(C(=O)[O-])o2)c(C)c1 ZINC000833748731 605004544 /nfs/dbraw/zinc/00/45/44/605004544.db2.gz GARGFDSQNPNFKF-OAHLLOKOSA-N 0 2 389.433 2.511 20 0 GFADLN Cc1[nH]c(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(F)c(F)c2)c(C)c1C(=O)[O-] ZINC000833739862 605086661 /nfs/dbraw/zinc/08/66/61/605086661.db2.gz JKZNPZZSBKWBBY-RHSMWYFYSA-N 0 2 377.391 2.783 20 0 GFADLN Cc1[nH]c(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)c(C)c1C(=O)[O-] ZINC000833739862 605086666 /nfs/dbraw/zinc/08/66/66/605086666.db2.gz JKZNPZZSBKWBBY-RHSMWYFYSA-N 0 2 377.391 2.783 20 0 GFADLN CC[N@@H+]1C[C@@H](C)N(S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)C[C@H]1C ZINC000833656567 605125314 /nfs/dbraw/zinc/12/53/14/605125314.db2.gz JTPIPKJAUZUYPF-NXEZZACHSA-N 0 2 395.308 2.795 20 0 GFADLN CC[N@H+]1C[C@@H](C)N(S(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)C[C@H]1C ZINC000833656567 605125315 /nfs/dbraw/zinc/12/53/15/605125315.db2.gz JTPIPKJAUZUYPF-NXEZZACHSA-N 0 2 395.308 2.795 20 0 GFADLN CC1=C(C(=O)[O-])C[C@H](C[NH+]2CCN(C(=O)c3cc(Cl)cc(Cl)c3)CC2)O1 ZINC000833577236 605316388 /nfs/dbraw/zinc/31/63/88/605316388.db2.gz BSOZDAGXFLJFAL-OAHLLOKOSA-N 0 2 399.274 2.899 20 0 GFADLN CC(C)CC[N@@H+]1Cc2cccc(NS(=O)(=O)c3cc(C(=O)[O-])n(C)c3)c2C1 ZINC000833483483 605343091 /nfs/dbraw/zinc/34/30/91/605343091.db2.gz LUUMZSAGYNVNAZ-UHFFFAOYSA-N 0 2 391.493 2.886 20 0 GFADLN CC(C)CC[N@H+]1Cc2cccc(NS(=O)(=O)c3cc(C(=O)[O-])n(C)c3)c2C1 ZINC000833483483 605343097 /nfs/dbraw/zinc/34/30/97/605343097.db2.gz LUUMZSAGYNVNAZ-UHFFFAOYSA-N 0 2 391.493 2.886 20 0 GFADLN Cc1cnc(C[N@@H+](C)[C@@H]2CCN(C(=O)[C@@H]3CCCCCC[C@H]3NC(=O)[O-])C2)o1 ZINC000830625198 605532253 /nfs/dbraw/zinc/53/22/53/605532253.db2.gz PFEFWDONORZGKW-BRWVUGGUSA-N 0 2 392.500 2.622 20 0 GFADLN Cc1cnc(C[N@H+](C)[C@@H]2CCN(C(=O)[C@@H]3CCCCCC[C@H]3NC(=O)[O-])C2)o1 ZINC000830625198 605532257 /nfs/dbraw/zinc/53/22/57/605532257.db2.gz PFEFWDONORZGKW-BRWVUGGUSA-N 0 2 392.500 2.622 20 0 GFADLN O=C([O-])N1CCC(NC(=O)N[C@@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)CC1 ZINC000831598519 605566743 /nfs/dbraw/zinc/56/67/43/605566743.db2.gz KSZCWQQCLAHFOD-QZTJIDSGSA-N 0 2 383.452 2.553 20 0 GFADLN O=C([O-])NC1CC[NH+](CC(=O)Nc2cccc(-c3nc4ccccc4[nH]3)c2)CC1 ZINC000832386368 605594806 /nfs/dbraw/zinc/59/48/06/605594806.db2.gz 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