smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc3nn(-c4ccc(OC)cc4)nc3c2)cc1 ZINC000001351157 551647223 /nfs/dbraw/zinc/64/72/23/551647223.db2.gz LIHMWVKHSCKTIJ-UHFFFAOYSA-N -1 0 515.617 3.260 40 0 KGABRM Cc1ccc(S(=O)(=O)[N-]C(=O)Nc2c(-c3nc4ccccc4s3)[n+]([O-])c3ccccc3[n+]2[O-])cc1 ZINC000001616427 551686142 /nfs/dbraw/zinc/68/61/42/551686142.db2.gz PSKRRUNTPLZYEE-UHFFFAOYSA-N -1 0 507.553 3.202 40 0 KGABRM CCn1c(SCC(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)nc(C)n3)cc2)nnc1-c1ccccn1 ZINC000002393895 552109700 /nfs/dbraw/zinc/10/97/00/552109700.db2.gz GEQDEUPSVAJNDD-UHFFFAOYSA-N -1 0 524.632 3.298 40 0 KGABRM CC(=O)N(C[C@H](C)C(=O)[O-])c1c(I)cc(I)c(N)c1I ZINC000003830931 552419199 /nfs/dbraw/zinc/41/91/99/552419199.db2.gz GSVQIUGOUKJHRC-YFKPBYRVSA-N -1 0 613.959 3.156 40 0 world KGABRM CC(=O)N(C[C@@H](C)C(=O)[O-])c1c(I)cc(I)c(N)c1I ZINC000003830932 552419166 /nfs/dbraw/zinc/41/91/66/552419166.db2.gz GSVQIUGOUKJHRC-RXMQYKEDSA-N -1 0 613.959 3.156 40 0 world KGABRM CCOC(=O)c1nn(-c2ccc(C)cc2)c(C)c1C(=O)C1=NOC2=C([O-])N(c3ccccc3C)C(=O)[C@@H]12 ZINC000003848923 552420504 /nfs/dbraw/zinc/42/05/04/552420504.db2.gz FYINLDCUZWYFKP-GBXCKJPGSA-N -1 0 500.511 3.101 40 0 KGABRM CCOC(=O)c1nn(-c2ccc(C)cc2)c(C)c1C(=O)C1=NOC2=C([O-])N(c3ccccc3C)C(=O)[C@H]12 ZINC000003848924 552420572 /nfs/dbraw/zinc/42/05/72/552420572.db2.gz FYINLDCUZWYFKP-YKSBVNFPSA-N -1 0 500.511 3.101 40 0 KGABRM O=C([O-])c1cccc(C(=O)N2C[C@H]3C[C@@H](C2)Cn2c(=O)c(NS(=O)(=O)c4ccc(Cl)cc4)ccc23)c1 ZINC000004150056 552443147 /nfs/dbraw/zinc/44/31/47/552443147.db2.gz LYWMADVQTLQFGB-MAUKXSAKSA-N -1 0 527.986 3.260 40 0 biogenic,in-vitro KGABRM O=C([O-])CCCOc1c(I)cc(I)c(C(=O)N2CCOCC2)c1I ZINC000004216581 552450020 /nfs/dbraw/zinc/45/00/20/552450020.db2.gz AWPDPEBRIXSCQG-UHFFFAOYSA-N -1 0 671.007 3.216 40 0 in-man KGABRM COc1ccc(-c2ccc3c(c2)C(=O)N2CCN(C(=O)CC4(CC(=O)[O-])CCCC4)C[C@H]2C(=O)N3)cc1 ZINC000004236409 291789391 /nfs/dbraw/zinc/78/93/91/291789391.db2.gz JVYRSNACJDSVAZ-QHCPKHFHSA-N -1 0 505.571 3.393 40 0 biogenic,in-vitro KGABRM CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)[O-])cc3)c(=O)n2[C@@H]1c1c(OC)ccc2ccccc21 ZINC000004461179 552461329 /nfs/dbraw/zinc/46/13/29/552461329.db2.gz FDXRYHFSBMERQI-XKXRGWGFSA-N -1 0 558.612 3.424 40 0 KGABRM CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(OCC(=O)[O-])cc3)c(=O)n2[C@@H]1c1cccc(OC)c1 ZINC000004461185 552461346 /nfs/dbraw/zinc/46/13/46/552461346.db2.gz PTTZTCUDOYALKP-VTAYSDJUSA-N -1 0 570.623 3.408 40 0 KGABRM CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)[O-])cc3)c(=O)n2[C@H]1c1c(OC)ccc2ccccc21 ZINC000004461231 552461348 /nfs/dbraw/zinc/46/13/48/552461348.db2.gz FDXRYHFSBMERQI-UQZLWQNHSA-N -1 0 558.612 3.424 40 0 KGABRM CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(OCC(=O)[O-])cc3)c(=O)n2[C@H]1c1cccc(OC)c1 ZINC000004461238 552461301 /nfs/dbraw/zinc/46/13/01/552461301.db2.gz PTTZTCUDOYALKP-HCSHXEOKSA-N -1 0 570.623 3.408 40 0 KGABRM CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cccc(OCC(=O)[O-])c3)c(=O)n2[C@@H]1c1cccc(OC)c1 ZINC000004461275 552461299 /nfs/dbraw/zinc/46/12/99/552461299.db2.gz YREQMNFPAXIHOT-VTAYSDJUSA-N -1 0 570.623 3.408 40 0 KGABRM CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cccc(OCC(=O)[O-])c3)c(=O)n2[C@@H]1c1ccccc1 ZINC000004461281 552461337 /nfs/dbraw/zinc/46/13/37/552461337.db2.gz SOPNUILPUGLVST-NWJPQEHXSA-N -1 0 540.597 3.399 40 0 KGABRM CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cccc(OCC(=O)[O-])c3)c(=O)n2[C@H]1c1cccc(OC)c1 ZINC000004461288 552461311 /nfs/dbraw/zinc/46/13/11/552461311.db2.gz YREQMNFPAXIHOT-HCSHXEOKSA-N -1 0 570.623 3.408 40 0 KGABRM CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cccc(OCC(=O)[O-])c3)c(=O)n2[C@H]1c1ccccc1 ZINC000004461302 552461351 /nfs/dbraw/zinc/46/13/51/552461351.db2.gz SOPNUILPUGLVST-YSFSTTGISA-N -1 0 540.597 3.399 40 0 KGABRM COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4ccc(OCC(=O)[O-])cc4)c(=O)n32)c1 ZINC000004470174 552461686 /nfs/dbraw/zinc/46/16/86/552461686.db2.gz YXDVIYWBWCGEDY-LMVGNEGFSA-N -1 0 555.612 3.346 40 0 KGABRM COc1cccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C/c4cccc(OCC(=O)[O-])c4)c(=O)n32)c1 ZINC000004470180 552461528 /nfs/dbraw/zinc/46/15/28/552461528.db2.gz RYHPEDXHDIYYDB-LMVGNEGFSA-N -1 0 555.612 3.346 40 0 KGABRM O=C(Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)[C@@H](Cc1ccccc1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC000004647325 552470403 /nfs/dbraw/zinc/47/04/03/552470403.db2.gz XVQKDXYRBZICOZ-RJGXRXQPSA-N -1 0 533.610 3.002 40 0 KGABRM CCOC(=O)CNC(=O)Oc1ccc(C(C)(CCC(=O)[O-])c2ccc(OC(=O)NCC(=O)OCC)cc2)cc1 ZINC000004722857 552472742 /nfs/dbraw/zinc/47/27/42/552472742.db2.gz LKRRHDFSRFFJPZ-UHFFFAOYSA-N -1 0 544.557 3.160 40 0 KGABRM COc1cc([C@@H]2c3cc4c(cc3[C@H](OC(=O)CCCC(=O)[O-])[C@H]3COC(=O)[C@@H]32)OCO4)cc(OC)c1OC ZINC000004782968 552481951 /nfs/dbraw/zinc/48/19/51/552481951.db2.gz WYPYWWZKHUUVPD-RGWZMNCVSA-N -1 0 528.510 3.215 40 0 KGABRM COc1c(I)cc(I)c([O-])c1I ZINC000004792445 552485008 /nfs/dbraw/zinc/48/50/08/552485008.db2.gz NOPNVVUSTJDNLQ-UHFFFAOYSA-N -1 0 501.827 3.215 40 0 KGABRM O=C([O-])C[C@H](NC(=O)[C@H](CC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 ZINC000005030897 552492460 /nfs/dbraw/zinc/49/24/60/552492460.db2.gz USXKMIMHKQJFIE-DQEYMECFSA-N -1 0 562.575 3.118 40 0 KGABRM O=C([O-])C[C@H](NC(=O)[C@@H](CC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 ZINC000005030901 552492446 /nfs/dbraw/zinc/49/24/46/552492446.db2.gz USXKMIMHKQJFIE-RPBOFIJWSA-N -1 0 562.575 3.118 40 0 KGABRM O=C([O-])C[C@@H](NC(=O)[C@H](CC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 ZINC000005030909 552492505 /nfs/dbraw/zinc/49/25/05/552492505.db2.gz USXKMIMHKQJFIE-LOSJGSFVSA-N -1 0 562.575 3.118 40 0 KGABRM O=C([O-])C[C@@H](NC(=O)[C@@H](CC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1)C(=O)OCc1ccccc1 ZINC000005030913 552492484 /nfs/dbraw/zinc/49/24/84/552492484.db2.gz USXKMIMHKQJFIE-JWQCQUIFSA-N -1 0 562.575 3.118 40 0 KGABRM Cc1ccc(S(=O)(=O)N[C@@H](CSCc2ccccc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)[O-])cc1 ZINC000005460757 552502742 /nfs/dbraw/zinc/50/27/42/552502742.db2.gz IOWMTLVMAZSGHZ-ZEQRLZLVSA-N -1 0 528.652 3.093 40 0 KGABRM Cc1ccc(S(=O)(=O)N[C@H](CSCc2ccccc2)C(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)[O-])cc1 ZINC000005460765 552502714 /nfs/dbraw/zinc/50/27/14/552502714.db2.gz IOWMTLVMAZSGHZ-BJKOFHAPSA-N -1 0 528.652 3.093 40 0 KGABRM Cc1ccc(S(=O)(=O)N[C@@H](CSCc2ccccc2)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)[O-])cc1 ZINC000005460776 552502711 /nfs/dbraw/zinc/50/27/11/552502711.db2.gz IOWMTLVMAZSGHZ-RPWUZVMVSA-N -1 0 528.652 3.093 40 0 KGABRM Cc1ccc(S(=O)(=O)N[C@H](CSCc2ccccc2)C(=O)N[C@H](Cc2ccc(O)cc2)C(=O)[O-])cc1 ZINC000005460780 552502758 /nfs/dbraw/zinc/50/27/58/552502758.db2.gz IOWMTLVMAZSGHZ-DNQXCXABSA-N -1 0 528.652 3.093 40 0 KGABRM O=C([O-])[C@H](Cc1ccc(I)cc1)NC(=O)c1ccc(I)cc1 ZINC000005496571 552503650 /nfs/dbraw/zinc/50/36/50/552503650.db2.gz JWYVRTYEULJQBP-AWEZNQCLSA-N -1 0 521.092 3.322 40 0 KGABRM COC(=O)c1cc(NS(=O)(=O)c2ccc(Cl)c(N3C(=O)c4ccc(C(=O)[O-])cc4C3=O)c2)cc(C(=O)OC)c1 ZINC000006088710 552530441 /nfs/dbraw/zinc/53/04/41/552530441.db2.gz NEGVXHYEEPOTQO-UHFFFAOYSA-N -1 0 572.935 3.213 40 0 KGABRM COc1cc([N-]S(=O)(=O)c2ccc(NC(=O)/C(=C/c3ccncc3)NC(=O)c3ccccc3)cc2)nc(OC)n1 ZINC000006088732 552530429 /nfs/dbraw/zinc/53/04/29/552530429.db2.gz IDWOUHPRFXXNBW-JWGURIENSA-N -1 0 560.592 3.099 40 0 KGABRM COc1ccc(/C=C/c2ccc3c(c2)C(=O)N2C[C@@H](NC(=O)CC(C)(C)CC(=O)[O-])C[C@H]2C(=O)N3)cc1 ZINC000008297001 552985412 /nfs/dbraw/zinc/98/54/12/552985412.db2.gz MHNUFKZWKIMNFV-CJELOZRXSA-N -1 0 505.571 3.408 40 0 biogenic,in-vitro KGABRM Cc1ccc(NC(=O)CN2C(=O)N/C(=C/c3cc(I)cc(Br)c3OCC(=O)[O-])C2=O)cc1 ZINC000008396156 552994862 /nfs/dbraw/zinc/99/48/62/552994862.db2.gz XNPNQWYRFOPOGS-FRKPEAEDSA-N -1 0 614.190 3.357 40 0 KGABRM COc1cc(/C=C2/SC(=O)N(CC(=O)N3CCN(c4ccccc4)CC3)C2=O)cc(Cl)c1OCC(=O)[O-] ZINC000008450530 553058491 /nfs/dbraw/zinc/05/84/91/553058491.db2.gz NHFZGCBXZLRUJD-DEDYPNTBSA-N -1 0 546.001 3.197 40 0 KGABRM CC(C)C[C@@H](NC(=O)N1CCCCCC1)C(=O)N[C@@H](Cc1cn(C)c2ccccc12)C(=O)N[C@@H](Cc1ccccn1)C(=O)[O-] ZINC000008586076 1060054079 /nfs/dbraw/zinc/05/40/79/1060054079.db2.gz LIOKMIQQPDDTNO-PKTNWEFCSA-N -1 0 604.752 3.413 40 0 KGABRM CCn1nnc(-c2ccccc2[N-]S(=O)(=O)c2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2)n1 ZINC000008670517 553110000 /nfs/dbraw/zinc/11/00/00/553110000.db2.gz MGDXCWDVMDBBNO-UHFFFAOYSA-N -1 0 504.638 3.114 40 0 KGABRM CCn1c(CNC(=O)/C=C/c2ccc(OC)c(OC)c2)nnc1SCC(=O)Nc1cccc(C(=O)[O-])c1 ZINC000010041148 553326638 /nfs/dbraw/zinc/32/66/38/553326638.db2.gz GMEDJNSBBGEDGY-PKNBQFBNSA-N -1 0 525.587 3.074 40 0 KGABRM CCn1c(CNC(=O)/C=C/c2ccc(OC)c(OC)c2)nnc1SCC(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000010041614 553326994 /nfs/dbraw/zinc/32/69/94/553326994.db2.gz JQBMQNHBEZYJTC-WUXMJOGZSA-N -1 0 525.587 3.074 40 0 KGABRM Cc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1 ZINC000010112112 553328584 /nfs/dbraw/zinc/32/85/84/553328584.db2.gz IPQRKDIRWWLCRS-UHFFFAOYSA-N -1 0 513.641 3.251 40 0 KGABRM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(NS(C)(=O)=O)c(C)c3)cc2)c(OC)c1 ZINC000010313844 553332512 /nfs/dbraw/zinc/33/25/12/553332512.db2.gz VPMWTFVHPZPYRO-UHFFFAOYSA-N -1 0 519.601 3.437 40 0 KGABRM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(NS(C)(=O)=O)c3)cc2)c(OC)c1 ZINC000010314902 553332941 /nfs/dbraw/zinc/33/29/41/553332941.db2.gz GHCNINFPMPJQJR-UHFFFAOYSA-N -1 0 519.601 3.437 40 0 KGABRM COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(NC(=O)c3cccc(NS(C)(=O)=O)c3C)cc2)c1 ZINC000010315283 553333264 /nfs/dbraw/zinc/33/32/64/553333264.db2.gz WFFWCWROHIMUBK-UHFFFAOYSA-N -1 0 519.601 3.437 40 0 KGABRM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3cccc(NS(C)(=O)=O)c3C)cc2)c(OC)c1 ZINC000010330944 553334022 /nfs/dbraw/zinc/33/40/22/553334022.db2.gz KDJKLUSYLOALHN-UHFFFAOYSA-N -1 0 519.601 3.437 40 0 KGABRM COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(NS(C)(=O)=O)c(C)c3)cc2)c1 ZINC000010335856 553334540 /nfs/dbraw/zinc/33/45/40/553334540.db2.gz GZNSBOOXPUBURM-UHFFFAOYSA-N -1 0 519.601 3.437 40 0 KGABRM COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(C)c(NS(C)(=O)=O)c3)cc2)c1 ZINC000010357567 553335153 /nfs/dbraw/zinc/33/51/53/553335153.db2.gz NPOIVWUSQTYYNR-UHFFFAOYSA-N -1 0 519.601 3.437 40 0 KGABRM COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(NC(=O)c3cccc(NS(C)(=O)=O)c3)cc2)c1 ZINC000010362820 553335448 /nfs/dbraw/zinc/33/54/48/553335448.db2.gz VQUSKJIODUFDEF-UHFFFAOYSA-N -1 0 505.574 3.128 40 0 KGABRM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)c3cccc(NS(C)(=O)=O)c3)cc2)c(OC)c1 ZINC000010368743 553335894 /nfs/dbraw/zinc/33/58/94/553335894.db2.gz BGZZNGSMRPVSNM-UHFFFAOYSA-N -1 0 505.574 3.128 40 0 KGABRM CCOC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2-c2nnn(CC(=O)c3ccc(OC)cc3)n2)c1 ZINC000012485178 553377222 /nfs/dbraw/zinc/37/72/22/553377222.db2.gz PIVAWIPLKWOMTM-UHFFFAOYSA-N -1 0 521.555 3.209 40 0 KGABRM Cc1ccc(S(=O)(=O)Oc2ccc(/C=C(/NC(=O)c3ccccc3)C(=O)NCCC(=O)[O-])cc2)cc1 ZINC000013124063 553449460 /nfs/dbraw/zinc/44/94/60/553449460.db2.gz QBELRDYMSALTIY-HAVVHWLPSA-N -1 0 508.552 3.125 40 0 KGABRM Cc1ccc(C)c(N([C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)S(C)(=O)=O)c1 ZINC000013678977 553483698 /nfs/dbraw/zinc/48/36/98/553483698.db2.gz VQZFHVVHIXRAJE-MRXNPFEDSA-N -1 0 508.647 3.354 40 0 KGABRM Cc1ccc(C)c(N([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)S(C)(=O)=O)c1 ZINC000013678979 553483730 /nfs/dbraw/zinc/48/37/30/553483730.db2.gz VQZFHVVHIXRAJE-INIZCTEOSA-N -1 0 508.647 3.354 40 0 KGABRM C[C@@H](OC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000014357167 553512330 /nfs/dbraw/zinc/51/23/30/553512330.db2.gz IAPPRJDNITWNHW-OKZBNKHCSA-N -1 0 502.589 3.308 40 0 KGABRM CS(=O)(=O)N(CCCC(=O)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)c1ccc(F)cc1 ZINC000014396962 553514804 /nfs/dbraw/zinc/51/48/04/553514804.db2.gz GAQWBGDSFWOVKX-UHFFFAOYSA-N -1 0 512.610 3.268 40 0 KGABRM Cc1ccccc1NC(=O)Nc1ccc(CC(=O)N2CCOC[C@H]2C(=O)N2CCC(CC(=O)[O-])CC2)cc1 ZINC000014966068 553522756 /nfs/dbraw/zinc/52/27/56/553522756.db2.gz ITXAAOWFOURIHK-DEOSSOPVSA-N -1 0 522.602 3.122 40 0 in-vitro KGABRM CC1C=C2C(=O)N(c3ccc(Br)cc3)C(=O)[C@@H]2C[C@@H]1n1[n-]c(=O)n(Cc2ccccc2)c1=O ZINC000016607211 553569033 /nfs/dbraw/zinc/56/90/33/553569033.db2.gz XIYJHAGDCOPHAY-ZCNNSNEGSA-N -1 0 509.360 3.258 40 0 KGABRM Cc1[n-]n(-c2ccccc2)c(=O)c1[C@@]1(c2c(N)[nH]n(-c3ccccc3)c2=O)C(C)=NN(c2ccccc2)C1=O ZINC000016607799 553568961 /nfs/dbraw/zinc/56/89/61/553568961.db2.gz JCRCNAFAHUTEED-NDDXJGTKSA-N -1 0 519.565 3.370 40 0 KGABRM Cc1[n-]n(-c2ccccc2)c(=O)c1[C@]1(c2c(N)[nH]n(-c3ccccc3)c2=O)C(C)=NN(c2ccccc2)C1=O ZINC000016607803 553569124 /nfs/dbraw/zinc/56/91/24/553569124.db2.gz JCRCNAFAHUTEED-CWHUZLPRSA-N -1 0 519.565 3.370 40 0 KGABRM CCCC(=O)N[C@@](Nc1ccc(S(=O)(=O)[N-]c2nc(C)cc(C)n2)cc1)(C(=O)OCC)C(F)(F)F ZINC000016636964 553570418 /nfs/dbraw/zinc/57/04/18/553570418.db2.gz QTMNUZQFEQGWIG-FQEVSTJZSA-N -1 0 517.530 3.044 40 0 KGABRM CCCC(=O)N[C@](Nc1ccc(S(=O)(=O)[N-]c2nc(C)cc(C)n2)cc1)(C(=O)OCC)C(F)(F)F ZINC000016636966 553570384 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Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(N4CCCC4=O)c(C)c3)cc2)n1 ZINC000020488218 553659431 /nfs/dbraw/zinc/65/94/31/553659431.db2.gz BICRBTPTKCEVML-UHFFFAOYSA-N -1 0 515.617 3.130 40 0 KGABRM Cc1ccc(C)c(N([C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccnc3)cc2)S(C)(=O)=O)c1 ZINC000020492591 553665741 /nfs/dbraw/zinc/66/57/41/553665741.db2.gz SUUOTHSVDDAGRU-GOSISDBHSA-N -1 0 502.618 3.292 40 0 KGABRM Cc1ccc(C)c(N([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccnc3)cc2)S(C)(=O)=O)c1 ZINC000020492592 553665725 /nfs/dbraw/zinc/66/57/25/553665725.db2.gz SUUOTHSVDDAGRU-SFHVURJKSA-N -1 0 502.618 3.292 40 0 KGABRM O=C(Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)c1cccc(NS(=O)(=O)c2ccccc2)c1 ZINC000020492879 553666069 /nfs/dbraw/zinc/66/60/69/553666069.db2.gz IAXBXGJJFPRDDB-UHFFFAOYSA-N -1 0 509.569 3.331 40 0 KGABRM Cc1ccc(S(=O)(=O)N2CCCC2)cc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccnc2)cc1 ZINC000020495353 553667285 /nfs/dbraw/zinc/66/72/85/553667285.db2.gz DSEIVEBLKIZEEP-UHFFFAOYSA-N -1 0 500.602 3.228 40 0 KGABRM CS(=O)(=O)N(CCCC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccnc2)cc1)c1ccc(F)cc1 ZINC000022513050 553743357 /nfs/dbraw/zinc/74/33/57/553743357.db2.gz FPYBVLZKBIWJPF-UHFFFAOYSA-N -1 0 506.581 3.206 40 0 KGABRM O=C(Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)c1ccc(NS(=O)(=O)c2ccccc2)cc1 ZINC000022513718 553743333 /nfs/dbraw/zinc/74/33/33/553743333.db2.gz TVVYRROWRPOKKZ-UHFFFAOYSA-N -1 0 509.569 3.331 40 0 KGABRM Cc1cc(Cl)ccc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1)S(C)(=O)=O ZINC000022515787 553743618 /nfs/dbraw/zinc/74/36/18/553743618.db2.gz OTHKCZHNTSPFLT-UHFFFAOYSA-N -1 0 509.009 3.249 40 0 KGABRM CC[C@H](C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccnc2)cc1)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000022519089 553743890 /nfs/dbraw/zinc/74/38/90/553743890.db2.gz QBHRAHSOMDDUNT-OAQYLSRUSA-N -1 0 506.581 3.205 40 0 KGABRM CC[C@@H](C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccnc2)cc1)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000022519094 553743947 /nfs/dbraw/zinc/74/39/47/553743947.db2.gz QBHRAHSOMDDUNT-NRFANRHFSA-N -1 0 506.581 3.205 40 0 KGABRM CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccnc2)cc1)c1ccc(F)c(Cl)c1 ZINC000022528223 553745148 /nfs/dbraw/zinc/74/51/48/553745148.db2.gz DJMUIZQKOBZACD-UHFFFAOYSA-N -1 0 512.972 3.080 40 0 KGABRM CC[C@H](C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000022533504 553745780 /nfs/dbraw/zinc/74/57/80/553745780.db2.gz XLYMFQGCHCVVOC-HXUWFJFHSA-N -1 0 506.581 3.205 40 0 KGABRM CC[C@@H](C(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1)N(c1ccc(F)cc1)S(C)(=O)=O ZINC000022533510 553745840 /nfs/dbraw/zinc/74/58/40/553745840.db2.gz XLYMFQGCHCVVOC-FQEVSTJZSA-N -1 0 506.581 3.205 40 0 KGABRM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(NS(C)(=O)=O)c(Cl)c3)cc2)n1 ZINC000022533607 553745835 /nfs/dbraw/zinc/74/58/35/553745835.db2.gz TUEHQIRSHUBDII-UHFFFAOYSA-N -1 0 509.997 3.171 40 0 KGABRM CSc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NC[C@@H]2CCCO2)cc1C(=O)N1CCCC1 ZINC000026115410 553816148 /nfs/dbraw/zinc/81/61/48/553816148.db2.gz BEPNOKWRCUMNTH-KRWDZBQOSA-N -1 0 503.646 3.354 40 0 KGABRM CSc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NC[C@H]2CCCO2)cc1C(=O)N1CCCC1 ZINC000026115419 553816213 /nfs/dbraw/zinc/81/62/13/553816213.db2.gz BEPNOKWRCUMNTH-QGZVFWFLSA-N -1 0 503.646 3.354 40 0 KGABRM COC(=O)c1ccc(C(=O)OC)c([N-]S(=O)(=O)c2ccc(SC)c(C(=O)N3CCCCC3)c2)c1 ZINC000026116555 553816520 /nfs/dbraw/zinc/81/65/20/553816520.db2.gz PUMBFNHBIBTFNI-UHFFFAOYSA-N -1 0 506.602 3.409 40 0 KGABRM CSc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)N2CCOCC2)cc1C(=O)N1CCCCC1 ZINC000026116662 553816609 /nfs/dbraw/zinc/81/66/09/553816609.db2.gz KJLQAGBQIZHDPX-UHFFFAOYSA-N -1 0 503.646 3.308 40 0 KGABRM CSc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NCc2ccco2)cc1C(=O)N1CCOCC1 ZINC000026117545 553816738 /nfs/dbraw/zinc/81/67/38/553816738.db2.gz XCDCRKAMWDMUQM-UHFFFAOYSA-N -1 0 515.613 3.205 40 0 KGABRM COC(=O)c1c2c(sc1[N-]S(=O)(=O)c1ccc(SC)c(C(=O)N3CCOCC3)c1)CCCC2 ZINC000026117629 553816749 /nfs/dbraw/zinc/81/67/49/553816749.db2.gz XHLLUOGPYKUWFH-UHFFFAOYSA-N -1 0 510.659 3.409 40 0 KGABRM CSc1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)N2CCCCC2)cc1C(=O)N1CCOCC1 ZINC000026117842 553816763 /nfs/dbraw/zinc/81/67/63/553816763.db2.gz FPAOYIJLLYPYLA-UHFFFAOYSA-N -1 0 503.646 3.308 40 0 KGABRM COCCNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(SC)c(C(=O)N2CCC(C)CC2)c1 ZINC000026119203 553817285 /nfs/dbraw/zinc/81/72/85/553817285.db2.gz IYAMCCCPTOWUGY-UHFFFAOYSA-N -1 0 505.662 3.458 40 0 KGABRM COc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc(Br)ccc3O)cc2)nc(OC)n1 ZINC000028467382 1060055111 /nfs/dbraw/zinc/05/51/11/1060055111.db2.gz OIHLJGNWSOFAOC-UHFFFAOYSA-N -1 0 509.338 3.015 40 0 KGABRM Nc1c(I)cc(I)c(CCC(=O)[O-])c1I ZINC000029413387 553844662 /nfs/dbraw/zinc/84/46/62/553844662.db2.gz BVDHMFVGWNGIQE-UHFFFAOYSA-N -1 0 542.880 3.100 40 0 KGABRM Cc1cc(C)cc(N([C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccn3)cc2)S(C)(=O)=O)c1 ZINC000030751749 553855955 /nfs/dbraw/zinc/85/59/55/553855955.db2.gz SYAWPYCRBSNWFF-GOSISDBHSA-N -1 0 502.618 3.292 40 0 KGABRM Cc1cc(C)cc(N([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccn3)cc2)S(C)(=O)=O)c1 ZINC000030751753 553855999 /nfs/dbraw/zinc/85/59/99/553855999.db2.gz SYAWPYCRBSNWFF-SFHVURJKSA-N -1 0 502.618 3.292 40 0 KGABRM Cc1ccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccn3)cc2)S(C)(=O)=O)cc1Cl ZINC000030755041 553856543 /nfs/dbraw/zinc/85/65/43/553856543.db2.gz JZAAFMLVXQCERI-UHFFFAOYSA-N -1 0 509.009 3.249 40 0 KGABRM O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)c1ccc(CS(=O)(=O)N2CCCC2)cc1 ZINC000030757232 553856949 /nfs/dbraw/zinc/85/69/49/553856949.db2.gz NYLNOIROPZGMBO-UHFFFAOYSA-N -1 0 506.631 3.122 40 0 KGABRM CC[C@H](C(=O)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000030757773 553857071 /nfs/dbraw/zinc/85/70/71/553857071.db2.gz QDWZZJKRJPBSAV-OAQYLSRUSA-N -1 0 517.633 3.078 40 0 KGABRM CC[C@@H](C(=O)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)N(c1ccc(C)c(C)c1)S(C)(=O)=O ZINC000030757777 553857181 /nfs/dbraw/zinc/85/71/81/553857181.db2.gz QDWZZJKRJPBSAV-NRFANRHFSA-N -1 0 517.633 3.078 40 0 KGABRM Cc1ccc(C)c(N([C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccn3)cc2)S(C)(=O)=O)c1 ZINC000030850680 553857918 /nfs/dbraw/zinc/85/79/18/553857918.db2.gz JMHLBTSPVMMREI-GOSISDBHSA-N -1 0 502.618 3.292 40 0 KGABRM Cc1ccc(C)c(N([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccn3)cc2)S(C)(=O)=O)c1 ZINC000030850684 553858047 /nfs/dbraw/zinc/85/80/47/553858047.db2.gz JMHLBTSPVMMREI-SFHVURJKSA-N -1 0 502.618 3.292 40 0 KGABRM Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccnc3)cc2)cc1S(=O)(=O)N1CCCC1 ZINC000030851936 553857912 /nfs/dbraw/zinc/85/79/12/553857912.db2.gz PIBZRPKMFSCIMI-UHFFFAOYSA-N -1 0 500.602 3.228 40 0 KGABRM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1)C1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC000030857588 553858586 /nfs/dbraw/zinc/85/85/86/553858586.db2.gz SMAFGEWLWQETBI-UHFFFAOYSA-N -1 0 514.629 3.063 40 0 KGABRM Cc1ccc(N([C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccn3)cc2)S(C)(=O)=O)cc1C ZINC000030859789 553858849 /nfs/dbraw/zinc/85/88/49/553858849.db2.gz FAWHDVSTVCMYMN-GOSISDBHSA-N -1 0 502.618 3.292 40 0 KGABRM Cc1ccc(N([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccn3)cc2)S(C)(=O)=O)cc1C ZINC000030859795 553858950 /nfs/dbraw/zinc/85/89/50/553858950.db2.gz FAWHDVSTVCMYMN-SFHVURJKSA-N -1 0 502.618 3.292 40 0 KGABRM O=C(Nc1ccc(S(=O)(=O)[N-]c2cccnc2)cc1)c1ccc(CS(=O)(=O)N2CCCCC2)cc1 ZINC000030862366 553859196 /nfs/dbraw/zinc/85/91/96/553859196.db2.gz IFTAFFWVDUMIDT-UHFFFAOYSA-N -1 0 514.629 3.450 40 0 KGABRM Cc1ccc(Cl)cc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccnc2)cc1)S(C)(=O)=O ZINC000030866852 553859821 /nfs/dbraw/zinc/85/98/21/553859821.db2.gz HZAOLGZAGCIXEG-UHFFFAOYSA-N -1 0 509.009 3.249 40 0 KGABRM CCOc1ccc(N([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccn3)cc2)S(C)(=O)=O)cc1 ZINC000030871707 553860464 /nfs/dbraw/zinc/86/04/64/553860464.db2.gz ORUJTZYUILAVFY-KRWDZBQOSA-N -1 0 518.617 3.074 40 0 KGABRM CCOc1ccc(N([C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3ccccn3)cc2)S(C)(=O)=O)cc1 ZINC000030871712 553860444 /nfs/dbraw/zinc/86/04/44/553860444.db2.gz ORUJTZYUILAVFY-QGZVFWFLSA-N -1 0 518.617 3.074 40 0 KGABRM Cc1c(Cl)cccc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1)S(C)(=O)=O ZINC000030873243 553860470 /nfs/dbraw/zinc/86/04/70/553860470.db2.gz ONPNTPGELUFNTC-UHFFFAOYSA-N -1 0 509.009 3.249 40 0 KGABRM CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(CO)(CO)[C@@H]5CC[C@]43C)[C@@H]2[C@@H]1O ZINC000031159071 291779313 /nfs/dbraw/zinc/77/93/13/291779313.db2.gz AMUBZPULDIMIKH-LYJAPVISSA-N -1 0 520.707 3.120 40 0 biogenic,in-vitro KGABRM CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(CO)(CO)[C@@H]5CC[C@]43C)[C@@H]2[C@@H]1O ZINC000031159075 291779455 /nfs/dbraw/zinc/77/94/55/291779455.db2.gz AMUBZPULDIMIKH-OPXKEKJUSA-N -1 0 520.707 3.120 40 0 biogenic,in-vitro KGABRM CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(CO)(CO)[C@H]5CC[C@]43C)[C@@H]2[C@@H]1O ZINC000031159079 291779322 /nfs/dbraw/zinc/77/93/22/291779322.db2.gz AMUBZPULDIMIKH-GYIQQLBCSA-N -1 0 520.707 3.120 40 0 biogenic,in-vitro KGABRM CC(C)[C@@H](C(=O)[O-])N1Cc2c(cc(O)c3c2O[C@]2(C3)[C@H](C)CC[C@@H]3C(C)(C)[C@H](O)[C@H](O)C[C@@]32C)C1=O ZINC000031164517 291778990 /nfs/dbraw/zinc/77/89/90/291778990.db2.gz JJWKFIISZGZPHY-BHFLSDLGSA-N -1 0 501.620 3.335 40 0 biogenic,in-vitro KGABRM CC(C)[C@@H](C(=O)[O-])N1Cc2c(cc(O)c3c2O[C@]2(C3)[C@H](C)CC[C@H]3C(C)(C)[C@H](O)[C@H](O)C[C@@]32C)C1=O ZINC000031164521 291778985 /nfs/dbraw/zinc/77/89/85/291778985.db2.gz JJWKFIISZGZPHY-VJKHVDRLSA-N -1 0 501.620 3.335 40 0 biogenic,in-vitro KGABRM CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OCC(=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 ZINC000033397213 553958733 /nfs/dbraw/zinc/95/87/33/553958733.db2.gz QPYDUWSOCROVNY-WDONWYDGSA-N -1 0 520.607 3.385 40 0 KGABRM CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OCC(=O)[O-])c3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 ZINC000033397215 553958746 /nfs/dbraw/zinc/95/87/46/553958746.db2.gz QPYDUWSOCROVNY-GLSAMTQTSA-N -1 0 520.607 3.385 40 0 KGABRM CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1 ZINC000033540896 553962240 /nfs/dbraw/zinc/96/22/40/553962240.db2.gz JJZHZTHMMHKNHD-BLJGQIRFSA-N -1 0 520.607 3.385 40 0 KGABRM CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(OCC(=O)[O-])cc3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1 ZINC000033540898 553962269 /nfs/dbraw/zinc/96/22/69/553962269.db2.gz JJZHZTHMMHKNHD-MLJBDGAYSA-N -1 0 520.607 3.385 40 0 KGABRM COc1ccccc1-n1c(=O)c2[n-][nH]n(CC(=O)N3N=C(c4ccccc4)C[C@H]3c3ccccc3)c=2c1=O ZINC000035657451 554062281 /nfs/dbraw/zinc/06/22/81/554062281.db2.gz DLNGBFWGFYBRBJ-UCGXPXSYSA-N -1 0 508.538 3.366 40 0 KGABRM COc1nsnc1[N-]S(=O)(=O)c1ccc(NC(=S)NC(=O)C23CC4CC(CC(C4)C2)C3)cc1 ZINC000036621766 554226371 /nfs/dbraw/zinc/22/63/71/554226371.db2.gz QYAPMBXNINPEPR-UHFFFAOYSA-N -1 0 507.663 3.377 40 0 KGABRM O=C([O-])[C@H](Cc1c[nH]cn1)NC(=O)c1ccc(N2C(=O)C(=Cc3ccccn3)N=C2c2ccccc2)cc1 ZINC000036692412 554230441 /nfs/dbraw/zinc/23/04/41/554230441.db2.gz BDUAGYXIBDZPOU-BJYRUZDYSA-N -1 0 506.522 3.065 40 0 KGABRM O=C([O-])[C@@H](Cc1c[nH]cn1)NC(=O)c1ccc(N2C(=O)C(=Cc3ccccn3)N=C2c2ccccc2)cc1 ZINC000036692413 554230384 /nfs/dbraw/zinc/23/03/84/554230384.db2.gz BDUAGYXIBDZPOU-JXCKLXDISA-N -1 0 506.522 3.065 40 0 KGABRM CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1)c1cccc2ccccc21 ZINC000038752388 554275481 /nfs/dbraw/zinc/27/54/81/554275481.db2.gz SYSODKKBKRRICC-UHFFFAOYSA-N -1 0 510.597 3.440 40 0 KGABRM Cc1c(Cl)cccc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccnc2)cc1)S(C)(=O)=O ZINC000038753327 554275797 /nfs/dbraw/zinc/27/57/97/554275797.db2.gz RPLDRXLJOSATHA-UHFFFAOYSA-N -1 0 509.009 3.249 40 0 KGABRM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(NS(C)(=O)=O)cc3Cl)cc2)n1 ZINC000038753665 554275691 /nfs/dbraw/zinc/27/56/91/554275691.db2.gz ANKNQSJRAQBXEH-UHFFFAOYSA-N -1 0 509.997 3.171 40 0 KGABRM COc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)[N-]c3nccc(C)n3)cc2)cc1Br ZINC000038753855 554275992 /nfs/dbraw/zinc/27/59/92/554275992.db2.gz UVGATLQBTZKGKO-UHFFFAOYSA-N -1 0 513.395 3.158 40 0 KGABRM COc1ccc(S(=O)(=O)N2CCCCC2)cc1[N-]S(=O)(=O)c1ccc(N2CCCC2=O)c(C)c1 ZINC000038754235 554276030 /nfs/dbraw/zinc/27/60/30/554276030.db2.gz IHOPPVUIZSXXSF-UHFFFAOYSA-N -1 0 507.634 3.106 40 0 KGABRM Cc1cc(Cl)ccc1N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccnc2)cc1)S(C)(=O)=O ZINC000038755367 554276309 /nfs/dbraw/zinc/27/63/09/554276309.db2.gz SVFCDGMJHKJASY-UHFFFAOYSA-N -1 0 509.009 3.249 40 0 KGABRM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1)c1ccc(CS(=O)(=O)N2CCCCC2)cc1 ZINC000038755788 554276668 /nfs/dbraw/zinc/27/66/68/554276668.db2.gz ROLDHPCYAFLXKH-UHFFFAOYSA-N -1 0 514.629 3.450 40 0 KGABRM CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2cccnc2)cc1)c1cccc2ccccc21 ZINC000038756962 554277042 /nfs/dbraw/zinc/27/70/42/554277042.db2.gz ARECXTVAMAEFAN-UHFFFAOYSA-N -1 0 510.597 3.440 40 0 KGABRM CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(CO)(CO)[C@@H]5CC[C@]43C)[C@H]2[C@@H]1O ZINC000039560158 291779447 /nfs/dbraw/zinc/77/94/47/291779447.db2.gz AMUBZPULDIMIKH-XEYPBIKZSA-N -1 0 520.707 3.120 40 0 biogenic,in-vitro KGABRM CC1(C)CC[C@]2(C(=O)[O-])CC[C@]3(C)C(=CC[C@@H]4[C@@]5(C)C[C@@H](O)[C@H](O)C(CO)(CO)[C@@H]5CC[C@]43C)[C@H]2[C@@H]1O ZINC000039560160 554279577 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CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CC[C@H](C(=O)N[C@@H](CCSC)C(=O)[O-])CC1 ZINC000100772303 554471601 /nfs/dbraw/zinc/47/16/01/554471601.db2.gz ZGCNXNXIDVOLGB-GFEQUFNTSA-N -1 0 501.690 3.171 40 0 KGABRM CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CC[C@H](C(=O)N[C@@H](C(=O)[O-])c2ccccc2)CC1 ZINC000100773053 554471579 /nfs/dbraw/zinc/47/15/79/554471579.db2.gz JVFDMOLZECZGAS-FYZZASKESA-N -1 0 521.680 3.498 40 0 KGABRM CSCC[C@H](NC(=O)OC(C)(C)C)C(=O)NC[C@H]1CC[C@H](C(=O)N[C@H](CC(C)C)C(=O)[O-])CC1 ZINC000100773477 554471639 /nfs/dbraw/zinc/47/16/39/554471639.db2.gz OIAHDQSEULDJQY-ZSYWTGECSA-N -1 0 501.690 3.171 40 0 KGABRM CC[C@H](C)[C@H](NC(=O)[C@H]1CC[C@H](CNC(=O)[C@H](CCSC)NC(=O)OC(C)(C)C)CC1)C(=O)[O-] ZINC000100773982 554471585 /nfs/dbraw/zinc/47/15/85/554471585.db2.gz XNDZYQFGEBMYMB-OYSTVDSJSA-N -1 0 501.690 3.171 40 0 KGABRM CC[C@@H](C)[C@H](NC(=O)[C@H]1CC[C@H](CNC(=O)[C@H](CCSC)NC(=O)OC(C)(C)C)CC1)C(=O)[O-] ZINC000100773984 554471666 /nfs/dbraw/zinc/47/16/66/554471666.db2.gz 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0 KGABRM CCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)CN(c3ccc4c(c3)OCCO4)S(=O)(=O)CC)cc2)cc1 ZINC000112256206 571437395 /nfs/dbraw/zinc/43/73/95/571437395.db2.gz ZQDMPPKRTRAXTG-UHFFFAOYSA-N -1 0 575.665 3.452 40 0 KGABRM CCS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2OC)cc1)c1ccc2c(c1)OCO2 ZINC000112256865 571437534 /nfs/dbraw/zinc/43/75/34/571437534.db2.gz PIZOWKWLWABMID-UHFFFAOYSA-N -1 0 577.637 3.028 40 0 KGABRM CCS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(OC)cc2OC)cc1)c1ccc2c(c1)OCCO2 ZINC000112256916 571437707 /nfs/dbraw/zinc/43/77/07/571437707.db2.gz AFIRTPZDKTYZML-UHFFFAOYSA-N -1 0 591.664 3.071 40 0 KGABRM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)CSC(=S)N3C[C@H]4C[C@@H](C3)Cn3c(=O)cccc34)cc2)n1 ZINC000113481177 571439051 /nfs/dbraw/zinc/43/90/51/571439051.db2.gz YYDZGBKPWXZFAK-RBUKOAKNSA-N -1 0 584.749 3.132 40 0 KGABRM COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3cc(C)ccc3C)S(=O)(=O)N(C)C)cc2)c1 ZINC000113491305 571439248 /nfs/dbraw/zinc/43/92/48/571439248.db2.gz KABSBIJQPLOTKZ-UHFFFAOYSA-N 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Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)C3CCN(S(=O)(=O)Cc4cccc(Cl)c4)CC3)cc2)n1 ZINC000139711065 571453639 /nfs/dbraw/zinc/45/36/39/571453639.db2.gz TWLILWHPFJOPKR-UHFFFAOYSA-N -1 0 564.089 3.420 40 0 KGABRM O=C(CCCN1c2cccc3cccc(c23)S1(=O)=O)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1 ZINC000139727955 571453861 /nfs/dbraw/zinc/45/38/61/571453861.db2.gz GFUVJNNWFJSUIZ-UHFFFAOYSA-N -1 0 523.596 3.358 40 0 KGABRM COc1ccc(OC)c(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3nccc(C)n3)cc2)S(=O)(=O)c2ccccc2)c1 ZINC000139728255 571453847 /nfs/dbraw/zinc/45/38/47/571453847.db2.gz NEGIHBFEAWRVPY-UHFFFAOYSA-N -1 0 597.675 3.437 40 0 KGABRM Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccc(Cl)c(Cl)c3)S(C)(=O)=O)cc2)n1 ZINC000139743007 571453959 /nfs/dbraw/zinc/45/39/59/571453959.db2.gz DAQZWXCTMDPOHJ-UHFFFAOYSA-N -1 0 544.442 3.297 40 0 KGABRM Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)CN(c3ccc(Br)c(C)c3)S(C)(=O)=O)cc2)n1 ZINC000139745223 571453928 /nfs/dbraw/zinc/45/39/28/571453928.db2.gz WNHZLGLQPJVZQC-UHFFFAOYSA-N -1 0 582.502 3.370 40 0 KGABRM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1)[C@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1 ZINC000140027222 571454457 /nfs/dbraw/zinc/45/44/57/571454457.db2.gz DFQYKIHSWSEQBA-XMMPIXPASA-N -1 0 550.618 3.477 40 0 KGABRM O=C(Nc1ccc(S(=O)(=O)[N-]c2ccccn2)cc1)[C@@H]1CN(S(=O)(=O)c2ccccc2)c2ccccc2O1 ZINC000140027373 571454474 /nfs/dbraw/zinc/45/44/74/571454474.db2.gz DFQYKIHSWSEQBA-DEOSSOPVSA-N -1 0 550.618 3.477 40 0 KGABRM COc1ccc(Cl)cc1N([C@@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccnc2)cc1)S(C)(=O)=O ZINC000140033956 571454620 /nfs/dbraw/zinc/45/46/20/571454620.db2.gz YXPADVXNMMXLIB-HNNXBMFYSA-N -1 0 539.035 3.338 40 0 KGABRM COc1ccc(Cl)cc1N([C@H](C)C(=O)Nc1ccc(S(=O)(=O)[N-]c2cccnc2)cc1)S(C)(=O)=O ZINC000140034111 571454650 /nfs/dbraw/zinc/45/46/50/571454650.db2.gz YXPADVXNMMXLIB-OAHLLOKOSA-N -1 0 539.035 3.338 40 0 KGABRM COc1ccc(N([C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3nc(C)cc(C)n3)cc2)S(C)(=O)=O)cc1Cl ZINC000140040231 571454654 /nfs/dbraw/zinc/45/46/54/571454654.db2.gz IMQTUUFJTYPOTI-MRXNPFEDSA-N -1 0 568.077 3.349 40 0 KGABRM COc1ccc(N([C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3nc(C)cc(C)n3)cc2)S(C)(=O)=O)cc1Cl ZINC000140040364 571454586 /nfs/dbraw/zinc/45/45/86/571454586.db2.gz IMQTUUFJTYPOTI-INIZCTEOSA-N -1 0 568.077 3.349 40 0 KGABRM COc1ccc(S(=O)(=O)N2CCCC2)cc1[N-]S(=O)(=O)c1ccc(OC)c(C(=O)N2CCC(C)CC2)c1 ZINC000140058186 571454763 /nfs/dbraw/zinc/45/47/63/571454763.db2.gz QVTWNMHMDJSAGA-UHFFFAOYSA-N -1 0 551.687 3.161 40 0 KGABRM CS(=O)(=O)N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)c1ccc(OCc2ccccc2)cc1 ZINC000140068613 571454900 /nfs/dbraw/zinc/45/49/00/571454900.db2.gz HYNLIQGWQOSOIF-UHFFFAOYSA-N -1 0 567.649 3.261 40 0 KGABRM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H]3CN(S(C)(=O)=O)c4cc(Cl)ccc4O3)cc2)c(OC)c1 ZINC000140073917 571454915 /nfs/dbraw/zinc/45/49/15/571454915.db2.gz MKJYRTYTFOJCNR-QHCPKHFHSA-N -1 0 582.056 3.324 40 0 KGABRM COc1ccc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H]3CN(S(C)(=O)=O)c4cc(Cl)ccc4O3)cc2)c(OC)c1 ZINC000140074064 571454825 /nfs/dbraw/zinc/45/48/25/571454825.db2.gz 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COC(=O)C1=C(C)N=c2s/c(=C\c3cc(I)c(OCC(=O)[O-])c(OC)c3)c(=O)n2[C@@H]1c1cc(Cl)ccc1OC ZINC000408951799 1059784628 /nfs/dbraw/zinc/78/46/28/1059784628.db2.gz UZSOCGPNCXCDLW-LBAIMIFDSA-N -1 0 684.892 3.147 40 0 KGABRM COc1ccc(Br)cc1[C@@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3ccc(OCC(=O)[O-])cc3)c(=O)n21 ZINC000408959452 1059042943 /nfs/dbraw/zinc/04/29/43/1059042943.db2.gz ZRTUZJFANYNEKQ-AXADVEHHSA-N -1 0 601.475 3.421 40 0 KGABRM COc1ccc(Br)cc1[C@H]1C(C(=O)OC(C)C)=C(C)N=c2s/c(=C\c3ccc(OCC(=O)[O-])cc3)c(=O)n21 ZINC000408959453 1059042878 /nfs/dbraw/zinc/04/28/78/1059042878.db2.gz ZRTUZJFANYNEKQ-XFOXHJFNSA-N -1 0 601.475 3.421 40 0 KGABRM O=C([O-])c1ccc(COc2ccccc2/C=C2\NC(=O)N(CC(=O)Nc3ccc(N4CCOCC4)cc3)C2=O)cc1 ZINC000408960626 1059797126 /nfs/dbraw/zinc/79/71/26/1059797126.db2.gz NHZMUPZFDHSLQG-UQQQWYQISA-N -1 0 556.575 3.332 40 0 KGABRM O=C([O-])COc1c(Br)cc(I)cc1/C=c1\sc2nc3ccccc3n2c1=O ZINC000408961598 1059797097 /nfs/dbraw/zinc/79/70/97/1059797097.db2.gz NTLMUIIFBCCLRS-NSIKDUERSA-N -1 0 557.163 3.287 40 0 KGABRM Cc1cc(C(=O)[O-])ccc1-c1ccc(/C=C2\NC(=O)N(CC(=O)Nc3ccc(N4CCOCC4)cc3)C2=O)o1 ZINC000408962978 1059044729 /nfs/dbraw/zinc/04/47/29/1059044729.db2.gz WPWQVBKOYKLZMU-HAHDFKILSA-N -1 0 530.537 3.321 40 0 KGABRM COc1cc(/C=C2\NC(=O)N(CC(=O)Nc3ccc(N4CCOCC4)cc3)C2=O)ccc1OCc1ccc(C(=O)[O-])cc1 ZINC000408965907 1059796301 /nfs/dbraw/zinc/79/63/01/1059796301.db2.gz JSLSCAQJFWALBN-XYGWBWBKSA-N -1 0 586.601 3.340 40 0 KGABRM CCOc1cc(/C=c2/sc3n(c2=O)[C@H](c2cccc(OC)c2OCC)C(C(=O)OCCOC)=C(C)N=3)cc(I)c1OCC(=O)[O-] ZINC000408969220 1059805529 /nfs/dbraw/zinc/80/55/29/1059805529.db2.gz JLPCJMLWPFLOCI-RJFKIUDMSA-N -1 0 752.580 3.299 40 0 KGABRM CCOc1cc(/C=c2/sc3n(c2=O)[C@@H](c2cccc(OC)c2OCC)C(C(=O)OCCOC)=C(C)N=3)cc(I)c1OCC(=O)[O-] ZINC000408969221 1059045295 /nfs/dbraw/zinc/04/52/95/1059045295.db2.gz JLPCJMLWPFLOCI-WPUHHHFCSA-N -1 0 752.580 3.299 40 0 KGABRM COc1ccc([C@H]2C(C(=O)Nc3ccccc3)=C(C)N=c3s/c(=C\c4ccc(OCC(=O)[O-])c(OC)c4)c(=O)n32)c(OC)c1 ZINC000408976565 1059806108 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506.920 3.496 40 0 KGABRM COc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cccc(OC)c3OCC(=O)[O-])C2=O)cc1Cl ZINC000409275223 1059949072 /nfs/dbraw/zinc/94/90/72/1059949072.db2.gz SQYTUHPTUALUES-CAOOACKPSA-N -1 0 506.920 3.496 40 0 KGABRM CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC(=O)[O-])c(OCC)c3)c(=O)n2[C@@H]1c1cccc(Br)c1 ZINC000409331310 1059958330 /nfs/dbraw/zinc/95/83/30/1059958330.db2.gz AJFAEDRXEBHMJH-MVQVQHCTSA-N -1 0 601.475 3.423 40 0 KGABRM CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC(=O)[O-])c(OCC)c3)c(=O)n2[C@H]1c1cccc(Br)c1 ZINC000409331311 1059958425 /nfs/dbraw/zinc/95/84/25/1059958425.db2.gz AJFAEDRXEBHMJH-NYIUWGNGSA-N -1 0 601.475 3.423 40 0 KGABRM CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC(=O)[O-])cc3)c(=O)n2[C@H]1c1cccc(Br)c1 ZINC000409331312 1059958460 /nfs/dbraw/zinc/95/84/60/1059958460.db2.gz AJOBNXPLSOPBMH-MNGMOJQWSA-N -1 0 557.422 3.024 40 0 KGABRM CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC(=O)[O-])cc3)c(=O)n2[C@@H]1c1cccc(Br)c1 ZINC000409331313 1059958441 /nfs/dbraw/zinc/95/84/41/1059958441.db2.gz AJOBNXPLSOPBMH-RSCAPRFBSA-N -1 0 557.422 3.024 40 0 KGABRM CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccccc2)n2c(=O)/c(=C/c3ccc(OCC(=O)[O-])cc3)sc2=N1 ZINC000409331317 1059958482 /nfs/dbraw/zinc/95/84/82/1059958482.db2.gz AMMIXTBYKSREKM-HZHYMEEXSA-N -1 0 525.586 3.337 40 0 KGABRM CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccccc2)n2c(=O)/c(=C/c3ccc(OCC(=O)[O-])cc3)sc2=N1 ZINC000409331318 1059958404 /nfs/dbraw/zinc/95/84/04/1059958404.db2.gz AMMIXTBYKSREKM-VFHYMGCCSA-N -1 0 525.586 3.337 40 0 KGABRM COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(I)cc3)C2=O)ccc1OCC(=O)[O-] ZINC000409335622 1059957682 /nfs/dbraw/zinc/95/76/82/1059957682.db2.gz XVWOQPHABYGGLG-RQZCQDPDSA-N -1 0 568.345 3.438 40 0 KGABRM O=C([O-])COc1ccccc1/C=C1/SC(=O)N(CC(=O)Nc2ccc(I)cc2)C1=O ZINC000409338175 1059960481 /nfs/dbraw/zinc/96/04/81/1059960481.db2.gz FHRQMLFTDUIUCF-CXUHLZMHSA-N -1 0 538.319 3.430 40 0 KGABRM COc1cccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(I)cc3)C2=O)c1OCC(=O)[O-] ZINC000409339267 1059960111 /nfs/dbraw/zinc/96/01/11/1059960111.db2.gz GJXICCCIZVEHRZ-CXUHLZMHSA-N -1 0 568.345 3.438 40 0 KGABRM COc1ccc(OC)c([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(Cl)c(S(=O)(=O)N4CCOCC4)c3)cc2)c1 ZINC000409339897 1059959967 /nfs/dbraw/zinc/95/99/67/1059959967.db2.gz MODSLQUBCPHHJS-UHFFFAOYSA-N -1 0 596.083 3.431 40 0 KGABRM O=C([O-])COc1ccc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(I)cc3)C2=O)cc1 ZINC000409341221 1059960134 /nfs/dbraw/zinc/96/01/34/1059960134.db2.gz ABEULMRAKBSMKM-CXUHLZMHSA-N -1 0 538.319 3.430 40 0 KGABRM COc1cccc(C(=O)O[C@@H](C(=O)[O-])[C@@H](OC(=O)c2cccc(OC)c2)C(=O)Nc2ccc(C)cc2)c1 ZINC000409369561 1059070959 /nfs/dbraw/zinc/07/09/59/1059070959.db2.gz CYROSMNADSZXGH-DHIUTWEWSA-N -1 0 507.495 3.487 40 0 KGABRM COc1cccc(C(=O)O[C@H](C(=O)[O-])[C@H](OC(=O)c2cccc(OC)c2)C(=O)Nc2ccc(C)cc2)c1 ZINC000409369562 1059970072 /nfs/dbraw/zinc/97/00/72/1059970072.db2.gz CYROSMNADSZXGH-GOTSBHOMSA-N -1 0 507.495 3.487 40 0 KGABRM COc1cccc(C(=O)O[C@@H](C(=O)Nc2ccc(C)cc2)[C@H](OC(=O)c2cccc(OC)c2)C(=O)[O-])c1 ZINC000409369563 1059970142 /nfs/dbraw/zinc/97/01/42/1059970142.db2.gz CYROSMNADSZXGH-PKTZIBPZSA-N -1 0 507.495 3.487 40 0 KGABRM COc1cccc(C(=O)O[C@@H](C(=O)[O-])[C@H](OC(=O)c2cccc(OC)c2)C(=O)Nc2ccc(C)cc2)c1 ZINC000409369564 1059970039 /nfs/dbraw/zinc/97/00/39/1059970039.db2.gz CYROSMNADSZXGH-XZOQPEGZSA-N -1 0 507.495 3.487 40 0 KGABRM COc1ccc(OC)c(NC(=O)[C@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)[C@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)[O-])c1 ZINC000409370496 1059969522 /nfs/dbraw/zinc/96/95/22/1059969522.db2.gz RUQFKNFQXUCWPR-IZLXSDGUSA-N -1 0 669.592 3.046 40 0 KGABRM COc1ccc(OC)c(NC(=O)[C@@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)[C@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)[O-])c1 ZINC000409370497 1059969369 /nfs/dbraw/zinc/96/93/69/1059969369.db2.gz RUQFKNFQXUCWPR-NSOVKSMOSA-N -1 0 669.592 3.046 40 0 KGABRM COc1ccc(OC)c(NC(=O)[C@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)[C@@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)[O-])c1 ZINC000409370498 1059969449 /nfs/dbraw/zinc/96/94/49/1059969449.db2.gz RUQFKNFQXUCWPR-VSGBNLITSA-N -1 0 669.592 3.046 40 0 KGABRM COc1ccc(OC)c(NC(=O)[C@@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)[C@@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)[O-])c1 ZINC000409370499 1059969431 /nfs/dbraw/zinc/96/94/31/1059969431.db2.gz RUQFKNFQXUCWPR-WUFINQPMSA-N -1 0 669.592 3.046 40 0 KGABRM COc1cccc(C(=O)O[C@@H](C(=O)[O-])[C@H](OC(=O)c2cccc(OC)c2)C(=O)Nc2cc(OC)ccc2OC)c1 ZINC000409370880 1059968893 /nfs/dbraw/zinc/96/88/93/1059968893.db2.gz VERWVNWVYQBSEL-BJKOFHAPSA-N -1 0 553.520 3.195 40 0 KGABRM COc1cccc(C(=O)O[C@@H](C(=O)[O-])[C@@H](OC(=O)c2cccc(OC)c2)C(=O)Nc2cc(OC)ccc2OC)c1 ZINC000409370882 1059968865 /nfs/dbraw/zinc/96/88/65/1059968865.db2.gz VERWVNWVYQBSEL-DNQXCXABSA-N -1 0 553.520 3.195 40 0 KGABRM COc1cccc(C(=O)O[C@@H](C(=O)Nc2cc(OC)ccc2OC)[C@H](OC(=O)c2cccc(OC)c2)C(=O)[O-])c1 ZINC000409370884 1059969540 /nfs/dbraw/zinc/96/95/40/1059969540.db2.gz VERWVNWVYQBSEL-RPWUZVMVSA-N -1 0 553.520 3.195 40 0 KGABRM COc1cccc(C(=O)O[C@H](C(=O)[O-])[C@H](OC(=O)c2cccc(OC)c2)C(=O)Nc2cc(OC)ccc2OC)c1 ZINC000409370885 1059969461 /nfs/dbraw/zinc/96/94/61/1059969461.db2.gz VERWVNWVYQBSEL-ZEQRLZLVSA-N -1 0 553.520 3.195 40 0 KGABRM COc1cc(C(=O)O[C@@H](C(=O)Nc2ccc(N(C)C)cc2)[C@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)[O-])ccc1OC(C)=O ZINC000409374917 1059968360 /nfs/dbraw/zinc/96/83/60/1059968360.db2.gz BPZZBIYNPLQPBU-IZLXSDGUSA-N -1 0 652.609 3.095 40 0 KGABRM COc1cc(C(=O)O[C@H](C(=O)[O-])[C@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)Nc2ccc(N(C)C)cc2)ccc1OC(C)=O ZINC000409374918 1059968106 /nfs/dbraw/zinc/96/81/06/1059968106.db2.gz BPZZBIYNPLQPBU-NSOVKSMOSA-N -1 0 652.609 3.095 40 0 KGABRM COc1cc(C(=O)O[C@@H](C(=O)[O-])[C@@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)Nc2ccc(N(C)C)cc2)ccc1OC(C)=O ZINC000409374919 1059968381 /nfs/dbraw/zinc/96/83/81/1059968381.db2.gz BPZZBIYNPLQPBU-VSGBNLITSA-N -1 0 652.609 3.095 40 0 KGABRM COc1cc(C(=O)O[C@@H](C(=O)[O-])[C@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)Nc2ccc(N(C)C)cc2)ccc1OC(C)=O ZINC000409374920 1059968264 /nfs/dbraw/zinc/96/82/64/1059968264.db2.gz BPZZBIYNPLQPBU-WUFINQPMSA-N -1 0 652.609 3.095 40 0 KGABRM COc1ccc(NC(=O)[C@H](OC(=O)c2cccc(OC)c2)[C@@H](OC(=O)c2cccc(OC)c2)C(=O)[O-])cc1 ZINC000409375904 1059967585 /nfs/dbraw/zinc/96/75/85/1059967585.db2.gz QPKDHFLVLZTOSD-DHIUTWEWSA-N -1 0 523.494 3.187 40 0 KGABRM COc1ccc(NC(=O)[C@@H](OC(=O)c2cccc(OC)c2)[C@H](OC(=O)c2cccc(OC)c2)C(=O)[O-])cc1 ZINC000409375905 1059967610 /nfs/dbraw/zinc/96/76/10/1059967610.db2.gz QPKDHFLVLZTOSD-GOTSBHOMSA-N -1 0 523.494 3.187 40 0 KGABRM COc1ccc(NC(=O)[C@H](OC(=O)c2cccc(OC)c2)[C@H](OC(=O)c2cccc(OC)c2)C(=O)[O-])cc1 ZINC000409375906 1059967719 /nfs/dbraw/zinc/96/77/19/1059967719.db2.gz QPKDHFLVLZTOSD-PKTZIBPZSA-N -1 0 523.494 3.187 40 0 KGABRM COc1ccc(NC(=O)[C@@H](OC(=O)c2cccc(OC)c2)[C@@H](OC(=O)c2cccc(OC)c2)C(=O)[O-])cc1 ZINC000409375907 1059070632 /nfs/dbraw/zinc/07/06/32/1059070632.db2.gz QPKDHFLVLZTOSD-XZOQPEGZSA-N -1 0 523.494 3.187 40 0 KGABRM O=C([O-])[C@@H](OC(=O)c1ccc(Cl)cc1)[C@@H](OC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccncc1 ZINC000409375986 1059967695 /nfs/dbraw/zinc/96/76/95/1059967695.db2.gz RSNLQNMDYNTAJK-MOPGFXCFSA-N -1 0 503.294 3.285 40 0 KGABRM O=C([O-])[C@@H](OC(=O)c1ccc(Cl)cc1)[C@H](OC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccncc1 ZINC000409375987 1059967762 /nfs/dbraw/zinc/96/77/62/1059967762.db2.gz RSNLQNMDYNTAJK-OALUTQOASA-N -1 0 503.294 3.285 40 0 KGABRM O=C([O-])[C@H](OC(=O)c1ccc(Cl)cc1)[C@H](OC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccncc1 ZINC000409375988 1059967740 /nfs/dbraw/zinc/96/77/40/1059967740.db2.gz RSNLQNMDYNTAJK-RBUKOAKNSA-N -1 0 503.294 3.285 40 0 KGABRM O=C([O-])[C@H](OC(=O)c1ccc(Cl)cc1)[C@@H](OC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccncc1 ZINC000409375989 1059968337 /nfs/dbraw/zinc/96/83/37/1059968337.db2.gz RSNLQNMDYNTAJK-RTBURBONSA-N -1 0 503.294 3.285 40 0 KGABRM COc1ccccc1CNC(=O)[C@@H](OC(=O)c1ccc(C)cc1)[C@@H](OC(=O)c1ccc(C)cc1)C(=O)[O-] ZINC000409376341 1059967784 /nfs/dbraw/zinc/96/77/84/1059967784.db2.gz AANLQVZIMKIKDO-BJKOFHAPSA-N -1 0 505.523 3.464 40 0 KGABRM COc1ccccc1CNC(=O)[C@H](OC(=O)c1ccc(C)cc1)[C@@H](OC(=O)c1ccc(C)cc1)C(=O)[O-] ZINC000409376343 1059967675 /nfs/dbraw/zinc/96/76/75/1059967675.db2.gz AANLQVZIMKIKDO-DNQXCXABSA-N -1 0 505.523 3.464 40 0 KGABRM COc1ccccc1CNC(=O)[C@H](OC(=O)c1ccc(C)cc1)[C@H](OC(=O)c1ccc(C)cc1)C(=O)[O-] ZINC000409376345 1059967623 /nfs/dbraw/zinc/96/76/23/1059967623.db2.gz AANLQVZIMKIKDO-RPWUZVMVSA-N -1 0 505.523 3.464 40 0 KGABRM COc1ccccc1CNC(=O)[C@@H](OC(=O)c1ccc(C)cc1)[C@H](OC(=O)c1ccc(C)cc1)C(=O)[O-] ZINC000409376347 1059967653 /nfs/dbraw/zinc/96/76/53/1059967653.db2.gz AANLQVZIMKIKDO-ZEQRLZLVSA-N -1 0 505.523 3.464 40 0 KGABRM CCOC(=O)c1cccc(NC(=O)[C@@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)C(=O)[O-])c1 ZINC000409376459 1059967151 /nfs/dbraw/zinc/96/71/51/1059967151.db2.gz AYPOWUWXPFJQBK-FCHUYYIVSA-N -1 0 505.479 3.338 40 0 KGABRM CCOC(=O)c1cccc(NC(=O)[C@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)C(=O)[O-])c1 ZINC000409376461 1059967251 /nfs/dbraw/zinc/96/72/51/1059967251.db2.gz AYPOWUWXPFJQBK-FGZHOGPDSA-N -1 0 505.479 3.338 40 0 KGABRM CCOC(=O)c1cccc(NC(=O)[C@@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)C(=O)[O-])c1 ZINC000409376463 1059070941 /nfs/dbraw/zinc/07/09/41/1059070941.db2.gz AYPOWUWXPFJQBK-VXKWHMMOSA-N -1 0 505.479 3.338 40 0 KGABRM CCOC(=O)c1cccc(NC(=O)[C@H](OC(=O)c2ccccc2)[C@H](OC(=O)c2ccccc2)C(=O)[O-])c1 ZINC000409376465 1059071000 /nfs/dbraw/zinc/07/10/00/1059071000.db2.gz AYPOWUWXPFJQBK-YADHBBJMSA-N -1 0 505.479 3.338 40 0 KGABRM COc1cc(C(=O)O[C@@H](C(=O)[O-])[C@@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)Nc2ccccc2F)ccc1OC(C)=O ZINC000409376996 1059966742 /nfs/dbraw/zinc/96/67/42/1059966742.db2.gz DXLIHIFDXCEGOS-CLJLJLNGSA-N -1 0 627.530 3.168 40 0 KGABRM COc1cc(C(=O)O[C@@H](C(=O)Nc2ccccc2F)[C@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)[O-])ccc1OC(C)=O ZINC000409376998 1059967100 /nfs/dbraw/zinc/96/71/00/1059967100.db2.gz DXLIHIFDXCEGOS-FTJBHMTQSA-N -1 0 627.530 3.168 40 0 KGABRM COc1cc(C(=O)O[C@@H](C(=O)[O-])[C@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)Nc2ccccc2F)ccc1OC(C)=O ZINC000409377000 1059967233 /nfs/dbraw/zinc/96/72/33/1059967233.db2.gz DXLIHIFDXCEGOS-IZZNHLLZSA-N -1 0 627.530 3.168 40 0 KGABRM COc1cc(C(=O)O[C@H](C(=O)[O-])[C@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)Nc2ccccc2F)ccc1OC(C)=O ZINC000409377001 1059967125 /nfs/dbraw/zinc/96/71/25/1059967125.db2.gz DXLIHIFDXCEGOS-UIOOFZCWSA-N -1 0 627.530 3.168 40 0 KGABRM COc1cc(C(=O)O[C@@H](C(=O)[O-])[C@@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)Nc2ccc(C)cc2)ccc1OC(C)=O ZINC000409377087 1059966509 /nfs/dbraw/zinc/96/65/09/1059966509.db2.gz GFCQIBJKSYDBMA-KAYWLYCHSA-N -1 0 623.567 3.337 40 0 KGABRM COc1cc(C(=O)O[C@@H](C(=O)[O-])[C@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)Nc2ccc(C)cc2)ccc1OC(C)=O ZINC000409377088 1059072059 /nfs/dbraw/zinc/07/20/59/1059072059.db2.gz GFCQIBJKSYDBMA-RRPNLBNLSA-N -1 0 623.567 3.337 40 0 KGABRM COc1cc(C(=O)O[C@H](C(=O)[O-])[C@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)Nc2ccc(C)cc2)ccc1OC(C)=O ZINC000409377089 1059072084 /nfs/dbraw/zinc/07/20/84/1059072084.db2.gz GFCQIBJKSYDBMA-SVBPBHIXSA-N -1 0 623.567 3.337 40 0 KGABRM COc1cc(C(=O)O[C@@H](C(=O)Nc2ccc(C)cc2)[C@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)[O-])ccc1OC(C)=O ZINC000409377090 1059966585 /nfs/dbraw/zinc/96/65/85/1059966585.db2.gz GFCQIBJKSYDBMA-SXOMAYOGSA-N -1 0 623.567 3.337 40 0 KGABRM COc1cc(/C=C2\SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)cc(Cl)c1OCC(=O)[O-] ZINC000409377098 1059966667 /nfs/dbraw/zinc/96/66/67/1059966667.db2.gz GGCOGDISUXUTEY-GRSHGNNSSA-N -1 0 516.959 3.433 40 0 KGABRM CCOc1ccc(NC(=O)[C@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)[C@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)[O-])cc1 ZINC000409377502 1059972188 /nfs/dbraw/zinc/97/21/88/1059972188.db2.gz HOGXQPXJFVVGMU-IZLXSDGUSA-N -1 0 653.593 3.427 40 0 KGABRM CCOc1ccc(NC(=O)[C@@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)[C@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)[O-])cc1 ZINC000409377503 1059972365 /nfs/dbraw/zinc/97/23/65/1059972365.db2.gz HOGXQPXJFVVGMU-NSOVKSMOSA-N -1 0 653.593 3.427 40 0 KGABRM CCOc1ccc(NC(=O)[C@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)[C@@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)[O-])cc1 ZINC000409377504 1059972385 /nfs/dbraw/zinc/97/23/85/1059972385.db2.gz HOGXQPXJFVVGMU-VSGBNLITSA-N -1 0 653.593 3.427 40 0 KGABRM CCOc1ccc(NC(=O)[C@@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)[C@@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)[O-])cc1 ZINC000409377505 1059972281 /nfs/dbraw/zinc/97/22/81/1059972281.db2.gz HOGXQPXJFVVGMU-WUFINQPMSA-N -1 0 653.593 3.427 40 0 KGABRM COc1cc(C(=O)O[C@@H](C(=O)[O-])[C@@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)Nc2ccccc2)ccc1OC(C)=O ZINC000409377752 1059971768 /nfs/dbraw/zinc/97/17/68/1059971768.db2.gz JQWKCZKUPFHDFA-CLJLJLNGSA-N -1 0 609.540 3.029 40 0 KGABRM COc1cc(C(=O)O[C@@H](C(=O)Nc2ccccc2)[C@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)[O-])ccc1OC(C)=O ZINC000409377753 1059971669 /nfs/dbraw/zinc/97/16/69/1059971669.db2.gz JQWKCZKUPFHDFA-FTJBHMTQSA-N -1 0 609.540 3.029 40 0 KGABRM COc1cc(C(=O)O[C@@H](C(=O)[O-])[C@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)Nc2ccccc2)ccc1OC(C)=O ZINC000409377754 1059971863 /nfs/dbraw/zinc/97/18/63/1059971863.db2.gz JQWKCZKUPFHDFA-IZZNHLLZSA-N -1 0 609.540 3.029 40 0 KGABRM COc1cc(C(=O)O[C@H](C(=O)[O-])[C@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)Nc2ccccc2)ccc1OC(C)=O ZINC000409377755 1059971693 /nfs/dbraw/zinc/97/16/93/1059971693.db2.gz JQWKCZKUPFHDFA-UIOOFZCWSA-N -1 0 609.540 3.029 40 0 KGABRM O=C([O-])[C@@H](OC(=O)c1ccccc1Cl)[C@@H](OC(=O)c1ccccc1Cl)C(=O)Nc1ccncc1 ZINC000409377845 1059971840 /nfs/dbraw/zinc/97/18/40/1059971840.db2.gz LLAVBZPASJWOJR-MOPGFXCFSA-N -1 0 503.294 3.285 40 0 KGABRM O=C([O-])[C@@H](OC(=O)c1ccccc1Cl)[C@H](OC(=O)c1ccccc1Cl)C(=O)Nc1ccncc1 ZINC000409377846 1059971720 /nfs/dbraw/zinc/97/17/20/1059971720.db2.gz LLAVBZPASJWOJR-OALUTQOASA-N -1 0 503.294 3.285 40 0 KGABRM O=C([O-])[C@H](OC(=O)c1ccccc1Cl)[C@H](OC(=O)c1ccccc1Cl)C(=O)Nc1ccncc1 ZINC000409377847 1059971746 /nfs/dbraw/zinc/97/17/46/1059971746.db2.gz LLAVBZPASJWOJR-RBUKOAKNSA-N -1 0 503.294 3.285 40 0 KGABRM O=C([O-])[C@H](OC(=O)c1ccccc1Cl)[C@@H](OC(=O)c1ccccc1Cl)C(=O)Nc1ccncc1 ZINC000409377848 1059971907 /nfs/dbraw/zinc/97/19/07/1059971907.db2.gz LLAVBZPASJWOJR-RTBURBONSA-N -1 0 503.294 3.285 40 0 KGABRM COc1cccc(C(=O)O[C@@H](C(=O)[O-])[C@H](OC(=O)c2cccc(OC)c2)C(=O)Nc2ccccc2F)c1 ZINC000409378048 1059971117 /nfs/dbraw/zinc/97/11/17/1059971117.db2.gz MUPYMSUGTRUSGR-FCHUYYIVSA-N -1 0 511.458 3.317 40 0 KGABRM COc1cccc(C(=O)O[C@@H](C(=O)[O-])[C@@H](OC(=O)c2cccc(OC)c2)C(=O)Nc2ccccc2F)c1 ZINC000409378049 1059971199 /nfs/dbraw/zinc/97/11/99/1059971199.db2.gz MUPYMSUGTRUSGR-FGZHOGPDSA-N -1 0 511.458 3.317 40 0 KGABRM COc1cccc(C(=O)O[C@H](C(=O)[O-])[C@H](OC(=O)c2cccc(OC)c2)C(=O)Nc2ccccc2F)c1 ZINC000409378050 1059971141 /nfs/dbraw/zinc/97/11/41/1059971141.db2.gz MUPYMSUGTRUSGR-VXKWHMMOSA-N -1 0 511.458 3.317 40 0 KGABRM COc1cccc(C(=O)O[C@@H](C(=O)Nc2ccccc2F)[C@H](OC(=O)c2cccc(OC)c2)C(=O)[O-])c1 ZINC000409378051 1059971254 /nfs/dbraw/zinc/97/12/54/1059971254.db2.gz MUPYMSUGTRUSGR-YADHBBJMSA-N -1 0 511.458 3.317 40 0 KGABRM COc1cccc(C(=O)O[C@@H](C(=O)[O-])[C@@H](OC(=O)c2cccc(OC)c2)C(=O)Nc2ccccc2C)c1 ZINC000409378279 1059971288 /nfs/dbraw/zinc/97/12/88/1059971288.db2.gz OMIAZCCNBLBIDM-DHIUTWEWSA-N -1 0 507.495 3.487 40 0 KGABRM COc1cccc(C(=O)O[C@H](C(=O)[O-])[C@H](OC(=O)c2cccc(OC)c2)C(=O)Nc2ccccc2C)c1 ZINC000409378280 1059971305 /nfs/dbraw/zinc/97/13/05/1059971305.db2.gz OMIAZCCNBLBIDM-GOTSBHOMSA-N -1 0 507.495 3.487 40 0 KGABRM COc1cccc(C(=O)O[C@@H](C(=O)Nc2ccccc2C)[C@H](OC(=O)c2cccc(OC)c2)C(=O)[O-])c1 ZINC000409378281 1059971181 /nfs/dbraw/zinc/97/11/81/1059971181.db2.gz OMIAZCCNBLBIDM-PKTZIBPZSA-N -1 0 507.495 3.487 40 0 KGABRM COc1cccc(C(=O)O[C@@H](C(=O)[O-])[C@H](OC(=O)c2cccc(OC)c2)C(=O)Nc2ccccc2C)c1 ZINC000409378282 1059971160 /nfs/dbraw/zinc/97/11/60/1059971160.db2.gz OMIAZCCNBLBIDM-XZOQPEGZSA-N -1 0 507.495 3.487 40 0 KGABRM CCOc1cc(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)cc(Br)c1OCC(=O)[O-] ZINC000409378388 1059072039 /nfs/dbraw/zinc/07/20/39/1059072039.db2.gz ORVVPKCSJBXAOS-YBEGLDIGSA-N -1 0 527.393 3.360 40 0 KGABRM COc1cccc(NC(=O)[C@H](OC(=O)c2cccc(OC)c2)[C@@H](OC(=O)c2cccc(OC)c2)C(=O)[O-])c1 ZINC000409379838 1059979669 /nfs/dbraw/zinc/97/96/69/1059979669.db2.gz AAIBMAKTTPYDBA-DHIUTWEWSA-N -1 0 523.494 3.187 40 0 KGABRM COc1cccc(NC(=O)[C@@H](OC(=O)c2cccc(OC)c2)[C@H](OC(=O)c2cccc(OC)c2)C(=O)[O-])c1 ZINC000409379839 1059979607 /nfs/dbraw/zinc/97/96/07/1059979607.db2.gz AAIBMAKTTPYDBA-GOTSBHOMSA-N -1 0 523.494 3.187 40 0 KGABRM COc1cccc(NC(=O)[C@H](OC(=O)c2cccc(OC)c2)[C@H](OC(=O)c2cccc(OC)c2)C(=O)[O-])c1 ZINC000409379840 1059979833 /nfs/dbraw/zinc/97/98/33/1059979833.db2.gz AAIBMAKTTPYDBA-PKTZIBPZSA-N -1 0 523.494 3.187 40 0 KGABRM COc1cccc(NC(=O)[C@@H](OC(=O)c2cccc(OC)c2)[C@@H](OC(=O)c2cccc(OC)c2)C(=O)[O-])c1 ZINC000409379841 1059979689 /nfs/dbraw/zinc/97/96/89/1059979689.db2.gz AAIBMAKTTPYDBA-XZOQPEGZSA-N -1 0 523.494 3.187 40 0 KGABRM CCOc1cc(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)c(Br)cc1OCC(=O)[O-] ZINC000409379899 1059980156 /nfs/dbraw/zinc/98/01/56/1059980156.db2.gz BESQYUVIMYWMCH-MFOYZWKCSA-N -1 0 527.393 3.360 40 0 KGABRM COc1cccc(NC(=O)[C@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)[C@@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)[O-])c1 ZINC000409380401 1059979809 /nfs/dbraw/zinc/97/98/09/1059979809.db2.gz MKFVIOGYIAUJHS-KAYWLYCHSA-N -1 0 639.566 3.037 40 0 KGABRM COc1cccc(NC(=O)[C@@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)[C@@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)[O-])c1 ZINC000409380402 1059072457 /nfs/dbraw/zinc/07/24/57/1059072457.db2.gz MKFVIOGYIAUJHS-RRPNLBNLSA-N -1 0 639.566 3.037 40 0 KGABRM COc1cccc(NC(=O)[C@@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)[C@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)[O-])c1 ZINC000409380403 1059979580 /nfs/dbraw/zinc/97/95/80/1059979580.db2.gz MKFVIOGYIAUJHS-SVBPBHIXSA-N -1 0 639.566 3.037 40 0 KGABRM COc1cccc(NC(=O)[C@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)[C@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)[O-])c1 ZINC000409380404 1059979789 /nfs/dbraw/zinc/97/97/89/1059979789.db2.gz MKFVIOGYIAUJHS-SXOMAYOGSA-N -1 0 639.566 3.037 40 0 KGABRM COc1ccccc1CNC(=O)[C@@H](OC(=O)c1cccc(C)c1)[C@@H](OC(=O)c1cccc(C)c1)C(=O)[O-] ZINC000409381256 1059979137 /nfs/dbraw/zinc/97/91/37/1059979137.db2.gz FTIFBBZNBLJEIC-BJKOFHAPSA-N -1 0 505.523 3.464 40 0 KGABRM COc1ccccc1CNC(=O)[C@H](OC(=O)c1cccc(C)c1)[C@@H](OC(=O)c1cccc(C)c1)C(=O)[O-] ZINC000409381260 1059979233 /nfs/dbraw/zinc/97/92/33/1059979233.db2.gz FTIFBBZNBLJEIC-DNQXCXABSA-N -1 0 505.523 3.464 40 0 KGABRM COc1ccccc1CNC(=O)[C@H](OC(=O)c1cccc(C)c1)[C@H](OC(=O)c1cccc(C)c1)C(=O)[O-] ZINC000409381262 1059070920 /nfs/dbraw/zinc/07/09/20/1059070920.db2.gz FTIFBBZNBLJEIC-RPWUZVMVSA-N -1 0 505.523 3.464 40 0 KGABRM COc1ccccc1CNC(=O)[C@@H](OC(=O)c1cccc(C)c1)[C@H](OC(=O)c1cccc(C)c1)C(=O)[O-] ZINC000409381266 1059979211 /nfs/dbraw/zinc/97/92/11/1059979211.db2.gz FTIFBBZNBLJEIC-ZEQRLZLVSA-N -1 0 505.523 3.464 40 0 KGABRM COc1cc(C(=O)O[C@@H](C(=O)[O-])[C@@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)Nc2cccc(C)c2)ccc1OC(C)=O ZINC000409381859 195513212 /nfs/dbraw/zinc/51/32/12/195513212.db2.gz KESNSGAXPOQSME-KAYWLYCHSA-N -1 0 623.567 3.337 40 0 KGABRM COc1cc(C(=O)O[C@@H](C(=O)[O-])[C@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)Nc2cccc(C)c2)ccc1OC(C)=O ZINC000409381861 1059978792 /nfs/dbraw/zinc/97/87/92/1059978792.db2.gz KESNSGAXPOQSME-RRPNLBNLSA-N -1 0 623.567 3.337 40 0 KGABRM COc1cc(C(=O)O[C@H](C(=O)[O-])[C@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)Nc2cccc(C)c2)ccc1OC(C)=O ZINC000409381862 1059978673 /nfs/dbraw/zinc/97/86/73/1059978673.db2.gz KESNSGAXPOQSME-SVBPBHIXSA-N -1 0 623.567 3.337 40 0 KGABRM COc1cc(C(=O)O[C@@H](C(=O)Nc2cccc(C)c2)[C@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)[O-])ccc1OC(C)=O ZINC000409381864 1059978530 /nfs/dbraw/zinc/97/85/30/1059978530.db2.gz KESNSGAXPOQSME-SXOMAYOGSA-N -1 0 623.567 3.337 40 0 KGABRM COc1ccc(NC(=O)[C@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)[C@@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)[O-])cc1 ZINC000409381963 1059071524 /nfs/dbraw/zinc/07/15/24/1059071524.db2.gz JFIMBPWPWJIKFU-KAYWLYCHSA-N -1 0 639.566 3.037 40 0 KGABRM COc1ccc(NC(=O)[C@@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)[C@@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)[O-])cc1 ZINC000409381964 1059978655 /nfs/dbraw/zinc/97/86/55/1059978655.db2.gz JFIMBPWPWJIKFU-RRPNLBNLSA-N -1 0 639.566 3.037 40 0 KGABRM COc1ccc(NC(=O)[C@@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)[C@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)[O-])cc1 ZINC000409381965 195513295 /nfs/dbraw/zinc/51/32/95/195513295.db2.gz JFIMBPWPWJIKFU-SVBPBHIXSA-N -1 0 639.566 3.037 40 0 KGABRM COc1ccc(NC(=O)[C@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)[C@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)[O-])cc1 ZINC000409381966 1059978814 /nfs/dbraw/zinc/97/88/14/1059978814.db2.gz JFIMBPWPWJIKFU-SXOMAYOGSA-N -1 0 639.566 3.037 40 0 KGABRM COc1cccc(C(=O)O[C@@H](C(=O)[O-])[C@@H](OC(=O)c2cccc(OC)c2)C(=O)Nc2cccc(C)c2)c1 ZINC000409383097 1059977447 /nfs/dbraw/zinc/97/74/47/1059977447.db2.gz ULCAJXIOFKGNBQ-DHIUTWEWSA-N -1 0 507.495 3.487 40 0 KGABRM COc1cccc(C(=O)O[C@H](C(=O)[O-])[C@H](OC(=O)c2cccc(OC)c2)C(=O)Nc2cccc(C)c2)c1 ZINC000409383101 1059977382 /nfs/dbraw/zinc/97/73/82/1059977382.db2.gz ULCAJXIOFKGNBQ-GOTSBHOMSA-N -1 0 507.495 3.487 40 0 KGABRM COc1cccc(C(=O)O[C@@H](C(=O)Nc2cccc(C)c2)[C@H](OC(=O)c2cccc(OC)c2)C(=O)[O-])c1 ZINC000409383103 1059978149 /nfs/dbraw/zinc/97/81/49/1059978149.db2.gz ULCAJXIOFKGNBQ-PKTZIBPZSA-N -1 0 507.495 3.487 40 0 KGABRM COc1cccc(C(=O)O[C@@H](C(=O)[O-])[C@H](OC(=O)c2cccc(OC)c2)C(=O)Nc2cccc(C)c2)c1 ZINC000409383106 195517052 /nfs/dbraw/zinc/51/70/52/195517052.db2.gz ULCAJXIOFKGNBQ-XZOQPEGZSA-N -1 0 507.495 3.487 40 0 KGABRM COc1ccc(NC(=O)[C@H](OC(=O)c2cccc(C(F)(F)F)c2)[C@H](OC(=O)c2cccc(C(F)(F)F)c2)C(=O)[O-])nn1 ZINC000409383228 1059977468 /nfs/dbraw/zinc/97/74/68/1059977468.db2.gz VCJSNVVGSGUTRT-MOPGFXCFSA-N -1 0 601.412 3.997 40 0 KGABRM COc1ccc(NC(=O)[C@@H](OC(=O)c2cccc(C(F)(F)F)c2)[C@H](OC(=O)c2cccc(C(F)(F)F)c2)C(=O)[O-])nn1 ZINC000409383230 1059977511 /nfs/dbraw/zinc/97/75/11/1059977511.db2.gz VCJSNVVGSGUTRT-OALUTQOASA-N -1 0 601.412 3.997 40 0 KGABRM COc1ccc(NC(=O)[C@@H](OC(=O)c2cccc(C(F)(F)F)c2)[C@@H](OC(=O)c2cccc(C(F)(F)F)c2)C(=O)[O-])nn1 ZINC000409383232 1059977491 /nfs/dbraw/zinc/97/74/91/1059977491.db2.gz VCJSNVVGSGUTRT-RBUKOAKNSA-N -1 0 601.412 3.997 40 0 KGABRM COc1ccc(NC(=O)[C@H](OC(=O)c2cccc(C(F)(F)F)c2)[C@@H](OC(=O)c2cccc(C(F)(F)F)c2)C(=O)[O-])nn1 ZINC000409383234 1059977558 /nfs/dbraw/zinc/97/75/58/1059977558.db2.gz VCJSNVVGSGUTRT-RTBURBONSA-N -1 0 601.412 3.997 40 0 KGABRM O=C([O-])COc1c(I)cc(/C=C2\SC(=O)N(CC(=O)N3CCCCC3)C2=O)cc1I ZINC000409383391 1059976783 /nfs/dbraw/zinc/97/67/83/1059976783.db2.gz XGJHYMDAMYBLDH-ZSOIEALJSA-N -1 0 656.236 3.408 40 0 KGABRM COc1cc(C(=O)O[C@@H](C(=O)[O-])[C@@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)Nc2ccccc2C)ccc1OC(C)=O ZINC000409383461 1059976322 /nfs/dbraw/zinc/97/63/22/1059976322.db2.gz VMDOZLODCGERGL-KAYWLYCHSA-N -1 0 623.567 3.337 40 0 KGABRM COc1cc(C(=O)O[C@@H](C(=O)[O-])[C@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)Nc2ccccc2C)ccc1OC(C)=O ZINC000409383463 1059976299 /nfs/dbraw/zinc/97/62/99/1059976299.db2.gz VMDOZLODCGERGL-RRPNLBNLSA-N -1 0 623.567 3.337 40 0 KGABRM COc1cc(C(=O)O[C@H](C(=O)[O-])[C@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)Nc2ccccc2C)ccc1OC(C)=O ZINC000409383465 1059976343 /nfs/dbraw/zinc/97/63/43/1059976343.db2.gz VMDOZLODCGERGL-SVBPBHIXSA-N -1 0 623.567 3.337 40 0 KGABRM COc1cc(C(=O)O[C@@H](C(=O)Nc2ccccc2C)[C@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)[O-])ccc1OC(C)=O ZINC000409383467 195518433 /nfs/dbraw/zinc/51/84/33/195518433.db2.gz VMDOZLODCGERGL-SXOMAYOGSA-N -1 0 623.567 3.337 40 0 KGABRM CCOC(=O)c1cccc(NC(=O)[C@@H](OC(=O)c2cccc(OC)c2)[C@@H](OC(=O)c2cccc(OC)c2)C(=O)[O-])c1 ZINC000409383638 1059976363 /nfs/dbraw/zinc/97/63/63/1059976363.db2.gz YTVFBPJXYFSKNP-BJKOFHAPSA-N -1 0 565.531 3.355 40 0 KGABRM CCOC(=O)c1cccc(NC(=O)[C@H](OC(=O)c2cccc(OC)c2)[C@@H](OC(=O)c2cccc(OC)c2)C(=O)[O-])c1 ZINC000409383639 1059976420 /nfs/dbraw/zinc/97/64/20/1059976420.db2.gz YTVFBPJXYFSKNP-DNQXCXABSA-N -1 0 565.531 3.355 40 0 KGABRM CCOC(=O)c1cccc(NC(=O)[C@H](OC(=O)c2cccc(OC)c2)[C@H](OC(=O)c2cccc(OC)c2)C(=O)[O-])c1 ZINC000409383640 1059976537 /nfs/dbraw/zinc/97/65/37/1059976537.db2.gz YTVFBPJXYFSKNP-RPWUZVMVSA-N -1 0 565.531 3.355 40 0 KGABRM CCOC(=O)c1cccc(NC(=O)[C@@H](OC(=O)c2cccc(OC)c2)[C@H](OC(=O)c2cccc(OC)c2)C(=O)[O-])c1 ZINC000409383641 1059976516 /nfs/dbraw/zinc/97/65/16/1059976516.db2.gz YTVFBPJXYFSKNP-ZEQRLZLVSA-N -1 0 565.531 3.355 40 0 KGABRM COC(=O)c1ccc(CN2C(=O)S/C(=C/c3cc(I)c(OCC(=O)[O-])c(OC)c3)C2=O)o1 ZINC000409384346 1059975618 /nfs/dbraw/zinc/97/56/18/1059975618.db2.gz BLDZZLOUYPCUFA-VIZOYTHASA-N -1 0 573.317 3.379 40 0 KGABRM COc1cc(C(=O)O[C@@H](C(=O)[O-])[C@@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)Nc2ccc(F)cc2)ccc1OC(C)=O ZINC000409384567 1059975643 /nfs/dbraw/zinc/97/56/43/1059975643.db2.gz CVALVMWMRKWYEE-CLJLJLNGSA-N -1 0 627.530 3.168 40 0 KGABRM COc1cc(C(=O)O[C@@H](C(=O)Nc2ccc(F)cc2)[C@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)[O-])ccc1OC(C)=O ZINC000409384571 1059975908 /nfs/dbraw/zinc/97/59/08/1059975908.db2.gz CVALVMWMRKWYEE-FTJBHMTQSA-N -1 0 627.530 3.168 40 0 KGABRM COc1cc(C(=O)O[C@@H](C(=O)[O-])[C@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)Nc2ccc(F)cc2)ccc1OC(C)=O ZINC000409384574 1059975595 /nfs/dbraw/zinc/97/55/95/1059975595.db2.gz CVALVMWMRKWYEE-IZZNHLLZSA-N -1 0 627.530 3.168 40 0 KGABRM COc1cc(C(=O)O[C@H](C(=O)[O-])[C@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)Nc2ccc(F)cc2)ccc1OC(C)=O ZINC000409384576 1059975791 /nfs/dbraw/zinc/97/57/91/1059975791.db2.gz CVALVMWMRKWYEE-UIOOFZCWSA-N -1 0 627.530 3.168 40 0 KGABRM O=C([O-])COc1ccc(/C=C2\SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)cc1I ZINC000409384752 1059975766 /nfs/dbraw/zinc/97/57/66/1059975766.db2.gz FTWBISAAOMMLIR-GRSHGNNSSA-N -1 0 578.384 3.376 40 0 KGABRM COc1cc(/C=C2\NC(=O)N(CC(=O)Nc3cccc(C)c3)C2=O)ccc1OCc1ccc(C(=O)[O-])o1 ZINC000409384842 1059071623 /nfs/dbraw/zinc/07/16/23/1059071623.db2.gz FHCORTPVAICDLL-ODLFYWEKSA-N -1 0 505.483 3.405 40 0 KGABRM COc1cc(/C=C2\NC(=O)N(CC(=O)Nc3ccc(F)cc3)C2=O)ccc1OCc1ccc(C(=O)[O-])o1 ZINC000409385005 1059071600 /nfs/dbraw/zinc/07/16/00/1059071600.db2.gz HMAJWPCNXJIRNI-ZDLGFXPLSA-N -1 0 509.446 3.236 40 0 KGABRM COc1ccc(NC(=O)CN2C(=O)N/C(=C\c3ccc(OCc4ccc(C(=O)[O-])o4)c(OC)c3)C2=O)cc1 ZINC000409385108 1059975183 /nfs/dbraw/zinc/97/51/83/1059975183.db2.gz JDWBEJNCAMQDHO-ODLFYWEKSA-N -1 0 521.482 3.105 40 0 KGABRM COc1cc(/C=C2\NC(=O)N(CC(=O)Nc3ccccc3C)C2=O)ccc1OCc1ccc(C(=O)[O-])o1 ZINC000409385417 1059975238 /nfs/dbraw/zinc/97/52/38/1059975238.db2.gz LKFGPKCSZCCTHP-ODLFYWEKSA-N -1 0 505.483 3.405 40 0 KGABRM COc1cc(/C=C2\NC(=O)N(CC(=O)Nc3ccccc3F)C2=O)ccc1OCc1ccc(C(=O)[O-])o1 ZINC000409385937 1059974540 /nfs/dbraw/zinc/97/45/40/1059974540.db2.gz OQYFUGBWDJZXAG-ZDLGFXPLSA-N -1 0 509.446 3.236 40 0 KGABRM COC(=O)c1ccc(CN2C(=O)S/C(=C/c3ccc(OCC(=O)[O-])c(I)c3)C2=O)o1 ZINC000409386420 1059973914 /nfs/dbraw/zinc/97/39/14/1059973914.db2.gz PZRONWATBWYTOY-VIZOYTHASA-N -1 0 543.291 3.371 40 0 KGABRM COc1cccc(C(=O)O[C@@H](C(=O)[O-])[C@H](OC(=O)c2cccc(OC)c2)C(=O)Nc2ccc(N(C)C)cc2)c1 ZINC000409386515 1059973938 /nfs/dbraw/zinc/97/39/38/1059973938.db2.gz LZVZSICQKKKOGG-BJKOFHAPSA-N -1 0 536.537 3.244 40 0 KGABRM COc1cccc(C(=O)O[C@@H](C(=O)[O-])[C@@H](OC(=O)c2cccc(OC)c2)C(=O)Nc2ccc(N(C)C)cc2)c1 ZINC000409386516 1059974150 /nfs/dbraw/zinc/97/41/50/1059974150.db2.gz LZVZSICQKKKOGG-DNQXCXABSA-N -1 0 536.537 3.244 40 0 KGABRM COc1cccc(C(=O)O[C@@H](C(=O)Nc2ccc(N(C)C)cc2)[C@H](OC(=O)c2cccc(OC)c2)C(=O)[O-])c1 ZINC000409386517 1059973986 /nfs/dbraw/zinc/97/39/86/1059973986.db2.gz LZVZSICQKKKOGG-RPWUZVMVSA-N -1 0 536.537 3.244 40 0 KGABRM COc1cccc(C(=O)O[C@H](C(=O)[O-])[C@H](OC(=O)c2cccc(OC)c2)C(=O)Nc2ccc(N(C)C)cc2)c1 ZINC000409386518 1059974639 /nfs/dbraw/zinc/97/46/39/1059974639.db2.gz LZVZSICQKKKOGG-ZEQRLZLVSA-N -1 0 536.537 3.244 40 0 KGABRM COc1cc(/C=C2\NC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)ccc1OCc1ccc(C(=O)[O-])o1 ZINC000409386700 1059973961 /nfs/dbraw/zinc/97/39/61/1059973961.db2.gz WTRCFDUQZJJPER-ODLFYWEKSA-N -1 0 505.483 3.405 40 0 KGABRM COc1cccc(C(=O)O[C@@H](C(=O)[O-])[C@H](OC(=O)c2cccc(OC)c2)C(=O)Nc2ccc(F)cc2)c1 ZINC000409386955 1059973442 /nfs/dbraw/zinc/97/34/42/1059973442.db2.gz OZWVLRMADXDFQC-FCHUYYIVSA-N -1 0 511.458 3.317 40 0 KGABRM COc1cccc(C(=O)O[C@@H](C(=O)[O-])[C@@H](OC(=O)c2cccc(OC)c2)C(=O)Nc2ccc(F)cc2)c1 ZINC000409386957 1059973594 /nfs/dbraw/zinc/97/35/94/1059973594.db2.gz OZWVLRMADXDFQC-FGZHOGPDSA-N -1 0 511.458 3.317 40 0 KGABRM COc1cccc(C(=O)O[C@H](C(=O)[O-])[C@H](OC(=O)c2cccc(OC)c2)C(=O)Nc2ccc(F)cc2)c1 ZINC000409386958 1059974129 /nfs/dbraw/zinc/97/41/29/1059974129.db2.gz OZWVLRMADXDFQC-VXKWHMMOSA-N -1 0 511.458 3.317 40 0 KGABRM COc1cccc(C(=O)O[C@@H](C(=O)Nc2ccc(F)cc2)[C@H](OC(=O)c2cccc(OC)c2)C(=O)[O-])c1 ZINC000409386960 1059974014 /nfs/dbraw/zinc/97/40/14/1059974014.db2.gz OZWVLRMADXDFQC-YADHBBJMSA-N -1 0 511.458 3.317 40 0 KGABRM CCOC(=O)c1cccc(NC(=O)[C@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)[C@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)[O-])c1 ZINC000409387202 1059972770 /nfs/dbraw/zinc/97/27/70/1059972770.db2.gz OKNDHRDHYSKPBZ-IZLXSDGUSA-N -1 0 681.603 3.205 40 0 KGABRM CCOC(=O)c1cccc(NC(=O)[C@@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)[C@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)[O-])c1 ZINC000409387204 1059973024 /nfs/dbraw/zinc/97/30/24/1059973024.db2.gz OKNDHRDHYSKPBZ-NSOVKSMOSA-N -1 0 681.603 3.205 40 0 KGABRM CCOC(=O)c1cccc(NC(=O)[C@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)[C@@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)[O-])c1 ZINC000409387206 1059972949 /nfs/dbraw/zinc/97/29/49/1059972949.db2.gz OKNDHRDHYSKPBZ-VSGBNLITSA-N -1 0 681.603 3.205 40 0 KGABRM CCOC(=O)c1cccc(NC(=O)[C@@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)[C@@H](OC(=O)c2ccc(OC(C)=O)c(OC)c2)C(=O)[O-])c1 ZINC000409387208 1059972973 /nfs/dbraw/zinc/97/29/73/1059972973.db2.gz OKNDHRDHYSKPBZ-WUFINQPMSA-N -1 0 681.603 3.205 40 0 KGABRM COc1cc(/C=C2\SC(=O)N(CC(=O)N3CCc4ccccc4C3)C2=O)cc(I)c1OCC(=O)[O-] ZINC000409387421 1059072430 /nfs/dbraw/zinc/07/24/30/1059072430.db2.gz QFAZZDKUUAQMTJ-GRSHGNNSSA-N -1 0 608.410 3.384 40 0 KGABRM COc1cccc(C(=O)O[C@@H](C(=O)[O-])[C@@H](OC(=O)c2cccc(OC)c2)C(=O)Nc2ccccc2OC)c1 ZINC000409388624 1059983551 /nfs/dbraw/zinc/98/35/51/1059983551.db2.gz VQEUQUXJCQMWMN-DHIUTWEWSA-N -1 0 523.494 3.187 40 0 KGABRM COc1cccc(C(=O)O[C@H](C(=O)[O-])[C@H](OC(=O)c2cccc(OC)c2)C(=O)Nc2ccccc2OC)c1 ZINC000409388626 1059008766 /nfs/dbraw/zinc/00/87/66/1059008766.db2.gz VQEUQUXJCQMWMN-GOTSBHOMSA-N -1 0 523.494 3.187 40 0 KGABRM COc1cccc(C(=O)O[C@@H](C(=O)Nc2ccccc2OC)[C@H](OC(=O)c2cccc(OC)c2)C(=O)[O-])c1 ZINC000409388628 1059984113 /nfs/dbraw/zinc/98/41/13/1059984113.db2.gz VQEUQUXJCQMWMN-PKTZIBPZSA-N -1 0 523.494 3.187 40 0 KGABRM COc1cccc(C(=O)O[C@@H](C(=O)[O-])[C@H](OC(=O)c2cccc(OC)c2)C(=O)Nc2ccccc2OC)c1 ZINC000409388631 1059073036 /nfs/dbraw/zinc/07/30/36/1059073036.db2.gz VQEUQUXJCQMWMN-XZOQPEGZSA-N -1 0 523.494 3.187 40 0 KGABRM COc1ccccc1NC(=O)[C@H](OC(=O)c1ccc(OC(C)=O)c(OC)c1)[C@@H](OC(=O)c1ccc(OC(C)=O)c(OC)c1)C(=O)[O-] ZINC000409389386 1059983129 /nfs/dbraw/zinc/98/31/29/1059983129.db2.gz YMUUUETYFMIFJT-KAYWLYCHSA-N -1 0 639.566 3.037 40 0 KGABRM COc1ccccc1NC(=O)[C@@H](OC(=O)c1ccc(OC(C)=O)c(OC)c1)[C@@H](OC(=O)c1ccc(OC(C)=O)c(OC)c1)C(=O)[O-] ZINC000409389390 1059983248 /nfs/dbraw/zinc/98/32/48/1059983248.db2.gz YMUUUETYFMIFJT-RRPNLBNLSA-N -1 0 639.566 3.037 40 0 KGABRM COc1ccccc1NC(=O)[C@@H](OC(=O)c1ccc(OC(C)=O)c(OC)c1)[C@H](OC(=O)c1ccc(OC(C)=O)c(OC)c1)C(=O)[O-] ZINC000409389393 1059072904 /nfs/dbraw/zinc/07/29/04/1059072904.db2.gz YMUUUETYFMIFJT-SVBPBHIXSA-N -1 0 639.566 3.037 40 0 KGABRM COc1ccccc1NC(=O)[C@H](OC(=O)c1ccc(OC(C)=O)c(OC)c1)[C@H](OC(=O)c1ccc(OC(C)=O)c(OC)c1)C(=O)[O-] ZINC000409389396 1059982995 /nfs/dbraw/zinc/98/29/95/1059982995.db2.gz YMUUUETYFMIFJT-SXOMAYOGSA-N -1 0 639.566 3.037 40 0 KGABRM Cc1cc2nc3s/c(=C\c4ccc(OCC(=O)[O-])c(I)c4)c(=O)n3c2cc1C ZINC000409389503 1059982332 /nfs/dbraw/zinc/98/23/32/1059982332.db2.gz BQAFDAHWWPAVIY-IUXPMGMMSA-N -1 0 506.321 3.142 40 0 KGABRM COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Cl)c(O[C@H](C)C(=O)[O-])c(Br)c3)C2=O)o1 ZINC000409398024 1059992006 /nfs/dbraw/zinc/99/20/06/1059992006.db2.gz BAMFAASKLQBQPC-UGHKADQRSA-N -1 0 527.711 3.427 40 0 KGABRM COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Cl)c(O[C@@H](C)C(=O)[O-])c(Br)c3)C2=O)o1 ZINC000409398025 1059991934 /nfs/dbraw/zinc/99/19/34/1059991934.db2.gz BAMFAASKLQBQPC-VUPJLDGMSA-N -1 0 527.711 3.427 40 0 KGABRM COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Cl)c(OCC(=O)[O-])c(Br)c3)C2=O)o1 ZINC000409398058 1059991670 /nfs/dbraw/zinc/99/16/70/1059991670.db2.gz BOWHOAYXDBAFML-MLPAPPSSSA-N -1 0 513.684 3.038 40 0 KGABRM COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(Cl)cc(Br)c3OCC(=O)[O-])C2=O)o1 ZINC000409399038 1059073775 /nfs/dbraw/zinc/07/37/75/1059073775.db2.gz HGSSGNRRWUWWRW-ACAGNQJTSA-N -1 0 513.684 3.038 40 0 KGABRM CCOc1cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)c(Br)cc1O[C@H](C)C(=O)[O-] ZINC000409399221 1059989473 /nfs/dbraw/zinc/98/94/73/1059989473.db2.gz IKGAFIKGIZYMET-LYGDGENHSA-N -1 0 537.319 3.172 40 0 KGABRM CCOc1cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)c(Br)cc1O[C@@H](C)C(=O)[O-] ZINC000409399223 1059989582 /nfs/dbraw/zinc/98/95/82/1059989582.db2.gz IKGAFIKGIZYMET-URXIRXLPSA-N -1 0 537.319 3.172 40 0 KGABRM CCOc1cc(/C=C2\NC(=O)N(Cc3ccc(C(=O)OC)o3)C2=O)c(Br)c(Cl)c1OCC(=O)[O-] ZINC000409399481 1059988869 /nfs/dbraw/zinc/98/88/69/1059988869.db2.gz JDIRYYSXSUIDLW-SDQBBNPISA-N -1 0 557.737 3.437 40 0 KGABRM COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(OC)c(OCc4cccc(C(=O)[O-])c4)c(OC)c3)C2=O)o1 ZINC000409399495 1059989024 /nfs/dbraw/zinc/98/90/24/1059989024.db2.gz JGJLQQMUAGZDOR-GRSHGNNSSA-N -1 0 536.493 3.454 40 0 KGABRM COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(OC)c(OCc4ccc(C(=O)[O-])cc4)c(OC)c3)C2=O)o1 ZINC000409399507 1059988819 /nfs/dbraw/zinc/98/88/19/1059988819.db2.gz JLLVAACOEJHCFK-GRSHGNNSSA-N -1 0 536.493 3.454 40 0 KGABRM COC(=O)c1ccc(CN2C(=O)N/C(=C\c3cc(OC)c(OCC(=O)[O-])c(Br)c3Br)C2=O)o1 ZINC000409399527 1059073729 /nfs/dbraw/zinc/07/37/29/1059073729.db2.gz JOUJAADNKGIYSY-WZUFQYTHSA-N -1 0 588.161 3.156 40 0 KGABRM 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[NH3+]CCCC[C@@H](C(=O)N1CCC[C@H]1C(=O)[O-])N(C(=O)OCc1ccccc1)[C@@H](CCc1ccccc1)C(=O)[O-] ZINC001570003160 1060051536 /nfs/dbraw/zinc/05/15/36/1060051536.db2.gz HPRNSDPSQCZMQI-SDHOMARFSA-N -1 0 539.629 3.284 40 0 KGABRM