smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name O=C([O-])C1(NC(=O)N[C@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)CCCC1 ZINC000780572150 939135586 /nfs/dbraw/zinc/13/55/86/939135586.db2.gz WGTVNGIRTZRDNE-HNNXBMFYSA-N 0 2 397.878 3.140 20 0 GGADLN O=C([O-])C1(NC(=O)N[C@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)CCCC1 ZINC000780572150 939135588 /nfs/dbraw/zinc/13/55/88/939135588.db2.gz WGTVNGIRTZRDNE-HNNXBMFYSA-N 0 2 397.878 3.140 20 0 GGADLN O=C([O-])[C@@H](NC(=O)NCCc1cn2c([nH+]1)CCCC2)c1cccc2ccccc21 ZINC000908844497 939333783 /nfs/dbraw/zinc/33/37/83/939333783.db2.gz FAFWKYWQKWDLJT-FQEVSTJZSA-N 0 2 392.459 3.040 20 0 GGADLN CC[N@H+](CC(=O)N[C@H](C(=O)[O-])c1cc(F)ccc1F)Cc1ccccc1Cl ZINC000908919584 939352137 /nfs/dbraw/zinc/35/21/37/939352137.db2.gz IRYGRBOZBFXWGB-SFHVURJKSA-N 0 2 396.821 3.382 20 0 GGADLN CC[N@@H+](CC(=O)N[C@H](C(=O)[O-])c1cc(F)ccc1F)Cc1ccccc1Cl ZINC000908919584 939352141 /nfs/dbraw/zinc/35/21/41/939352141.db2.gz IRYGRBOZBFXWGB-SFHVURJKSA-N 0 2 396.821 3.382 20 0 GGADLN CC[N@H+](CC(=O)N[C@H](C(=O)[O-])c1ccccc1F)Cc1ccccc1Cl ZINC000909360526 939399604 /nfs/dbraw/zinc/39/96/04/939399604.db2.gz TZMIBLJCPPKOPI-SFHVURJKSA-N 0 2 378.831 3.243 20 0 GGADLN CC[N@@H+](CC(=O)N[C@H](C(=O)[O-])c1ccccc1F)Cc1ccccc1Cl ZINC000909360526 939399609 /nfs/dbraw/zinc/39/96/09/939399609.db2.gz TZMIBLJCPPKOPI-SFHVURJKSA-N 0 2 378.831 3.243 20 0 GGADLN CC[C@@H](C(=O)N[C@](CC)(C(=O)[O-])c1ccc(Cl)cc1)[N@@H+]1CCO[C@H](CC)C1 ZINC000909609697 939723445 /nfs/dbraw/zinc/72/34/45/939723445.db2.gz VRKGUDPDYSBQSH-UWVAXJGDSA-N 0 2 396.915 3.036 20 0 GGADLN CC[C@@H](C(=O)N[C@](CC)(C(=O)[O-])c1ccc(Cl)cc1)[N@H+]1CCO[C@H](CC)C1 ZINC000909609697 939723449 /nfs/dbraw/zinc/72/34/49/939723449.db2.gz VRKGUDPDYSBQSH-UWVAXJGDSA-N 0 2 396.915 3.036 20 0 GGADLN CC[C@@H](C(=O)N[C@@](CC)(C(=O)[O-])c1ccc(Cl)cc1)[N@@H+]1CCO[C@H](CC)C1 ZINC000909609694 939723709 /nfs/dbraw/zinc/72/37/09/939723709.db2.gz VRKGUDPDYSBQSH-FUHIMQAGSA-N 0 2 396.915 3.036 20 0 GGADLN CC[C@@H](C(=O)N[C@@](CC)(C(=O)[O-])c1ccc(Cl)cc1)[N@H+]1CCO[C@H](CC)C1 ZINC000909609694 939723712 /nfs/dbraw/zinc/72/37/12/939723712.db2.gz VRKGUDPDYSBQSH-FUHIMQAGSA-N 0 2 396.915 3.036 20 0 GGADLN COc1ccc([C@@H](NC(=O)[C@@H](CC(C)C)n2cc[nH+]c2)C(=O)[O-])cc1Cl ZINC000909794755 939732963 /nfs/dbraw/zinc/73/29/63/939732963.db2.gz ISJICWKLKGAEAL-GDBMZVCRSA-N 0 2 379.844 3.074 20 0 GGADLN O=C([O-])[C@H](C(=O)Nc1ccc2nc(C[NH+]3CCCCC3)[nH]c2c1)C1CCCC1 ZINC001118513058 939811975 /nfs/dbraw/zinc/81/19/75/939811975.db2.gz QULJAVYRROGFPP-IBGZPJMESA-N 0 2 384.480 3.378 20 0 GGADLN O=C([O-])[C@H](C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1)C1CCCC1 ZINC000663084109 939853656 /nfs/dbraw/zinc/85/36/56/939853656.db2.gz HILXKUVWNAMTOC-AEFFLSMTSA-N 0 2 396.890 3.451 20 0 GGADLN O=C([O-])[C@H](C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1)C1CCCC1 ZINC000663084109 939853657 /nfs/dbraw/zinc/85/36/57/939853657.db2.gz HILXKUVWNAMTOC-AEFFLSMTSA-N 0 2 396.890 3.451 20 0 GGADLN O=C([O-])[C@@H]1CCCCC[N@@H+]1Cc1nc(-c2cccc(Br)c2)no1 ZINC000321765991 970805841 /nfs/dbraw/zinc/80/58/41/970805841.db2.gz NKIJDAPPRVCWJQ-ZDUSSCGKSA-N 0 2 380.242 3.328 20 0 GGADLN O=C([O-])[C@@H]1CCCCC[N@H+]1Cc1nc(-c2cccc(Br)c2)no1 ZINC000321765991 970805849 /nfs/dbraw/zinc/80/58/49/970805849.db2.gz NKIJDAPPRVCWJQ-ZDUSSCGKSA-N 0 2 380.242 3.328 20 0 GGADLN O=C([O-])[C@@H]1Cc2ccccc2C[N@@H+]1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000325983017 971259893 /nfs/dbraw/zinc/25/98/93/971259893.db2.gz ZPZKLKZBXZMVRB-INIZCTEOSA-N 0 2 391.221 3.369 20 0 GGADLN O=C([O-])[C@@H]1Cc2ccccc2C[N@H+]1Cc1ccc(Br)cc1[N+](=O)[O-] ZINC000325983017 971259899 /nfs/dbraw/zinc/25/98/99/971259899.db2.gz ZPZKLKZBXZMVRB-INIZCTEOSA-N 0 2 391.221 3.369 20 0 GGADLN O=C([O-])[C@@H]1Cc2ccccc2C[N@@H+]1CC(=O)Nc1cccc(Cl)c1Cl ZINC000327450226 971399917 /nfs/dbraw/zinc/39/99/17/971399917.db2.gz WWUCSHKANXVDOB-HNNXBMFYSA-N 0 2 379.243 3.443 20 0 GGADLN O=C([O-])[C@@H]1Cc2ccccc2C[N@H+]1CC(=O)Nc1cccc(Cl)c1Cl ZINC000327450226 971399921 /nfs/dbraw/zinc/39/99/21/971399921.db2.gz WWUCSHKANXVDOB-HNNXBMFYSA-N 0 2 379.243 3.443 20 0 GGADLN Cc1cccc(NS(=O)(=O)c2cccc(Cl)c2Cl)c1-c1nn[nH]n1 ZINC000826299612 947870006 /nfs/dbraw/zinc/87/00/06/947870006.db2.gz MSGUJKZSIHYJPU-UHFFFAOYSA-N 0 2 384.248 3.283 20 0 GGADLN O=C([O-])c1ccc(S(=O)(=O)Nc2cccc(-n3cc[nH+]c3)c2)cc1Cl ZINC000328083192 971445090 /nfs/dbraw/zinc/44/50/90/971445090.db2.gz STHFZVOJLFNDDY-UHFFFAOYSA-N 0 2 377.809 3.025 20 0 GGADLN CC[C@@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)C2(C(=O)[O-])CCCCC2)CC1 ZINC001589586239 949051613 /nfs/dbraw/zinc/05/16/13/949051613.db2.gz QTWFTFYYACCMSZ-SFHVURJKSA-N 0 2 376.472 3.456 20 0 GGADLN O=C([O-])c1ccc(NC(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c(F)c1 ZINC001595235382 949387778 /nfs/dbraw/zinc/38/77/78/949387778.db2.gz OPICEUPBMZXSRK-CQSZACIVSA-N 0 2 386.427 3.468 20 0 GGADLN O=C([O-])c1ccccc1OCC[N@@H+]1CCCC[C@@H]1C(=O)OCc1ccccc1 ZINC001595257764 949634763 /nfs/dbraw/zinc/63/47/63/949634763.db2.gz NKBFRAAXSCSLIW-LJQANCHMSA-N 0 2 383.444 3.362 20 0 GGADLN O=C([O-])c1ccccc1OCC[N@H+]1CCCC[C@@H]1C(=O)OCc1ccccc1 ZINC001595257764 949634773 /nfs/dbraw/zinc/63/47/73/949634773.db2.gz NKBFRAAXSCSLIW-LJQANCHMSA-N 0 2 383.444 3.362 20 0 GGADLN O=C([O-])c1ncccc1NC(=O)N(CCn1cc[nH+]c1)Cc1cccc(Cl)c1 ZINC001595273472 949870980 /nfs/dbraw/zinc/87/09/80/949870980.db2.gz HZRFJLFVOKTZQK-UHFFFAOYSA-N 0 2 399.838 3.364 20 0 GGADLN CCC[N@H+](CC(=O)[O-])CC(=O)Nc1nc(-c2c(C)cc(C)cc2C)cs1 ZINC001589669818 949929084 /nfs/dbraw/zinc/92/90/84/949929084.db2.gz NBUPMFPUPUUNIT-UHFFFAOYSA-N 0 2 375.494 3.470 20 0 GGADLN CCC[N@@H+](CC(=O)[O-])CC(=O)Nc1nc(-c2c(C)cc(C)cc2C)cs1 ZINC001589669818 949929101 /nfs/dbraw/zinc/92/91/01/949929101.db2.gz NBUPMFPUPUUNIT-UHFFFAOYSA-N 0 2 375.494 3.470 20 0 GGADLN COc1cc2c(cc1NC(=O)C[N@H+]([C@H](C)C(=O)[O-])C1CC1)oc1ccccc12 ZINC000263066721 950243513 /nfs/dbraw/zinc/24/35/13/950243513.db2.gz GFPTUCWMKQBFJW-GFCCVEGCSA-N 0 2 382.416 3.471 20 0 GGADLN COc1cc2c(cc1NC(=O)C[N@@H+]([C@H](C)C(=O)[O-])C1CC1)oc1ccccc12 ZINC000263066721 950243534 /nfs/dbraw/zinc/24/35/34/950243534.db2.gz GFPTUCWMKQBFJW-GFCCVEGCSA-N 0 2 382.416 3.471 20 0 GGADLN CC(C)C[C@@H]1C[N@H+](Cc2ccc(Cl)cc2)CCN1C(=O)NCCC(=O)[O-] ZINC000263391608 950432142 /nfs/dbraw/zinc/43/21/42/950432142.db2.gz QMWWABXZPWKMRB-QGZVFWFLSA-N 0 2 381.904 3.057 20 0 GGADLN CC(C)C[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2)CCN1C(=O)NCCC(=O)[O-] ZINC000263391608 950432156 /nfs/dbraw/zinc/43/21/56/950432156.db2.gz QMWWABXZPWKMRB-QGZVFWFLSA-N 0 2 381.904 3.057 20 0 GGADLN CCCc1ccc(-c2csc(NC(=O)C[N@H+](CC(=O)[O-])C(C)C)n2)cc1 ZINC000263579776 950516176 /nfs/dbraw/zinc/51/61/76/950516176.db2.gz VFOTTZKJWRQHBM-UHFFFAOYSA-N 0 2 375.494 3.496 20 0 GGADLN CCCc1ccc(-c2csc(NC(=O)C[N@@H+](CC(=O)[O-])C(C)C)n2)cc1 ZINC000263579776 950516200 /nfs/dbraw/zinc/51/62/00/950516200.db2.gz VFOTTZKJWRQHBM-UHFFFAOYSA-N 0 2 375.494 3.496 20 0 GGADLN CCOc1ccc([C@H]2CCCN2C(=O)C[NH2+][C@@H](C(=O)[O-])c2cccc(C)c2)cc1 ZINC001592426157 951329975 /nfs/dbraw/zinc/32/99/75/951329975.db2.gz NWQSYVQTHLHXRT-IFMALSPDSA-N 0 2 396.487 3.473 20 0 GGADLN O=C([O-])Cc1ccccc1NC(=O)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC001595136472 952056655 /nfs/dbraw/zinc/05/66/55/952056655.db2.gz UMVVWQFFVMIZSF-INIZCTEOSA-N 0 2 382.464 3.258 20 0 GGADLN CC(C)(C)c1cc(NC(=O)C[N@@H+]2CCC[C@@]2(C)C(=O)[O-])n(-c2ccccc2)n1 ZINC001602921266 971876796 /nfs/dbraw/zinc/87/67/96/971876796.db2.gz CQZMZMULJLCJMN-NRFANRHFSA-N 0 2 384.480 3.047 20 0 GGADLN CC(C)(C)c1cc(NC(=O)C[N@H+]2CCC[C@@]2(C)C(=O)[O-])n(-c2ccccc2)n1 ZINC001602921266 971876801 /nfs/dbraw/zinc/87/68/01/971876801.db2.gz CQZMZMULJLCJMN-NRFANRHFSA-N 0 2 384.480 3.047 20 0 GGADLN C[C@@H]1CCC[N@H+](CC(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)[C@@H]1C(=O)[O-] ZINC000424273078 953449421 /nfs/dbraw/zinc/44/94/21/953449421.db2.gz VTHIAJDQIWQNTC-YJYMSZOUSA-N 0 2 390.867 3.401 20 0 GGADLN C[C@@H]1CCC[N@@H+](CC(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)[C@@H]1C(=O)[O-] ZINC000424273078 953449428 /nfs/dbraw/zinc/44/94/28/953449428.db2.gz VTHIAJDQIWQNTC-YJYMSZOUSA-N 0 2 390.867 3.401 20 0 GGADLN CCC(CC)(CNC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccc(C)cc1C)C(=O)[O-] ZINC000424396118 953461363 /nfs/dbraw/zinc/46/13/63/953461363.db2.gz BMEWSZNADRXFCI-SFHVURJKSA-N 0 2 386.496 3.431 20 0 GGADLN CCC(CC)(CNC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1)C(=O)[O-] ZINC000424401699 953467494 /nfs/dbraw/zinc/46/74/94/953467494.db2.gz BBZPBHADQMIEQK-QZTJIDSGSA-N 0 2 384.480 3.302 20 0 GGADLN Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)NC[C@H](CC(C)C)C(=O)[O-])c(C)c1 ZINC000424406047 953471820 /nfs/dbraw/zinc/47/18/20/953471820.db2.gz IVCIYOFYMAMMAT-PKOBYXMFSA-N 0 2 386.496 3.287 20 0 GGADLN O=C([O-])c1c(F)ccc(NC(=O)NCC[NH+]2Cc3ccccc3C2)c1Cl ZINC001594757950 953477998 /nfs/dbraw/zinc/47/79/98/953477998.db2.gz FZNBZXOETFCMNO-UHFFFAOYSA-N 0 2 377.803 3.315 20 0 GGADLN CC(C)C[C@H](CNC(=O)N[C@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1)C(=O)[O-] ZINC000424429207 953485030 /nfs/dbraw/zinc/48/50/30/953485030.db2.gz ZEVJWLUGTTTYFW-NEWSRXKRSA-N 0 2 384.480 3.158 20 0 GGADLN O=C([O-])[C@H]1C[C@@H](NC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)c2ccccc21 ZINC001594767521 953535682 /nfs/dbraw/zinc/53/56/82/953535682.db2.gz DMKYMOIQJNCJKW-FUHWJXTLSA-N 0 2 394.406 3.124 20 0 GGADLN O=C([O-])c1ccc(Br)c(NC(=O)NCc2ccn3cc[nH+]c3c2)c1 ZINC001594777427 953602055 /nfs/dbraw/zinc/60/20/55/953602055.db2.gz YCHOROOIDOEXLD-UHFFFAOYSA-N 0 2 389.209 3.117 20 0 GGADLN CC[C@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccc(C(=O)[O-])cc1 ZINC000566300870 953626229 /nfs/dbraw/zinc/62/62/29/953626229.db2.gz RBDGVADNOYNCMX-KKSFZXQISA-N 0 2 395.503 3.461 20 0 GGADLN CC[C@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccc(C(=O)[O-])cc1 ZINC000566300870 953626234 /nfs/dbraw/zinc/62/62/34/953626234.db2.gz RBDGVADNOYNCMX-KKSFZXQISA-N 0 2 395.503 3.461 20 0 GGADLN O=C([O-])CCC(=O)N1CC[NH+](Cc2ccc(-c3ccccc3F)s2)CC1 ZINC000571917456 953666382 /nfs/dbraw/zinc/66/63/82/953666382.db2.gz GJSHDMIYHUNAKJ-UHFFFAOYSA-N 0 2 376.453 3.063 20 0 GGADLN O=C([O-])c1ccnc(NC(=O)N[C@@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)c1 ZINC001594802377 953752373 /nfs/dbraw/zinc/75/23/73/953752373.db2.gz VOIARZLTPOMVJP-SJLPKXTDSA-N 0 2 377.404 3.027 20 0 GGADLN Cc1ccc2[nH+]c(CSCC(=O)NC[C@H](CC(=O)[O-])CC(C)C)cn2c1 ZINC000596001022 953780165 /nfs/dbraw/zinc/78/01/65/953780165.db2.gz ZPKCFMNLOKPGIH-HNNXBMFYSA-N 0 2 377.510 3.129 20 0 GGADLN CCn1c(C[NH2+]Cc2ccc(N3CCC[C@H](C(=O)[O-])C3)o2)nc2ccccc21 ZINC001593661240 953804576 /nfs/dbraw/zinc/80/45/76/953804576.db2.gz ZPTCDUYNFNWVOJ-HNNXBMFYSA-N 0 2 382.464 3.240 20 0 GGADLN C[C@@H]1CC[C@H](C(=O)[O-])[N@@H+]1CC(=O)NCc1ccc(-c2ccc(Cl)cc2)o1 ZINC000650502984 954018498 /nfs/dbraw/zinc/01/84/98/954018498.db2.gz DVEVESADFCCLGJ-MLGOLLRUSA-N 0 2 376.840 3.154 20 0 GGADLN C[C@@H]1CC[C@H](C(=O)[O-])[N@H+]1CC(=O)NCc1ccc(-c2ccc(Cl)cc2)o1 ZINC000650502984 954018511 /nfs/dbraw/zinc/01/85/11/954018511.db2.gz DVEVESADFCCLGJ-MLGOLLRUSA-N 0 2 376.840 3.154 20 0 GGADLN O=C([O-])C[N@@H+](Cc1nc(=O)c2sc(-c3ccc(F)cc3)cc2[nH]1)CC1CC1 ZINC000650509468 954024827 /nfs/dbraw/zinc/02/48/27/954024827.db2.gz AOAXULUDCQJHQZ-UHFFFAOYSA-N 0 2 387.436 3.087 20 0 GGADLN O=C([O-])C[N@H+](Cc1nc(=O)c2sc(-c3ccc(F)cc3)cc2[nH]1)CC1CC1 ZINC000650509468 954024835 /nfs/dbraw/zinc/02/48/35/954024835.db2.gz AOAXULUDCQJHQZ-UHFFFAOYSA-N 0 2 387.436 3.087 20 0 GGADLN C[NH+](C)[C@H](C(=O)Nc1sc2c(c1C(=O)[O-])COCC2)c1ccc(Cl)cc1 ZINC001593691359 954035241 /nfs/dbraw/zinc/03/52/41/954035241.db2.gz OCPQOLHHUGKKQM-HNNXBMFYSA-N 0 2 394.880 3.414 20 0 GGADLN C[C@](CNC(=O)N1CCC(CCCn2cc[nH+]c2)CC1)(C(=O)[O-])c1ccccc1 ZINC000652113046 954074572 /nfs/dbraw/zinc/07/45/72/954074572.db2.gz ZWCMVUWGGWIWNY-JOCHJYFZSA-N 0 2 398.507 3.127 20 0 GGADLN COc1cc(-c2noc(C[N@H+]3Cc4ccccc4[C@H](C(=O)[O-])C3)n2)ccc1C ZINC000652471283 954089776 /nfs/dbraw/zinc/08/97/76/954089776.db2.gz ZDOZNWQHXXUVCJ-QGZVFWFLSA-N 0 2 379.416 3.238 20 0 GGADLN COc1cc(-c2noc(C[N@@H+]3Cc4ccccc4[C@H](C(=O)[O-])C3)n2)ccc1C ZINC000652471283 954089786 /nfs/dbraw/zinc/08/97/86/954089786.db2.gz ZDOZNWQHXXUVCJ-QGZVFWFLSA-N 0 2 379.416 3.238 20 0 GGADLN O=C([O-])[C@@H]1C[C@@H](NC(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)c2ccccc21 ZINC000653329396 954158557 /nfs/dbraw/zinc/15/85/57/954158557.db2.gz VVVSYDDFIGGKCG-VAMGGRTRSA-N 0 2 396.512 3.206 20 0 GGADLN CC(C)[C@H](CNC(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1)C(=O)[O-] ZINC000655861511 954244961 /nfs/dbraw/zinc/24/49/61/954244961.db2.gz QMOOUSGWUZYEOA-XJKSGUPXSA-N 0 2 399.894 3.272 20 0 GGADLN C[C@@H](NC(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655901333 954281907 /nfs/dbraw/zinc/28/19/07/954281907.db2.gz JIBFNEUZSJNBSZ-PBWLWGFTSA-N 0 2 399.535 3.162 20 0 GGADLN C[C@H](NC(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655901335 954281946 /nfs/dbraw/zinc/28/19/46/954281946.db2.gz JIBFNEUZSJNBSZ-YGPIWJLJSA-N 0 2 399.535 3.162 20 0 GGADLN CC(C)C[C@H](CNC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1)CC(=O)[O-] ZINC000659417043 954340751 /nfs/dbraw/zinc/34/07/51/954340751.db2.gz RTKDLQVBLBITCR-HOTGVXAUSA-N 0 2 381.542 3.273 20 0 GGADLN CC1CC[NH+](Cc2csc(NC(=O)c3ccc(OCC(=O)[O-])cc3)n2)CC1 ZINC000659750603 954350480 /nfs/dbraw/zinc/35/04/80/954350480.db2.gz BSQALHJBCQIFIA-UHFFFAOYSA-N 0 2 389.477 3.091 20 0 GGADLN O=C([O-])CN1CC[C@@H]([N@@H+]2Cc3cc(Cl)ccc3C[C@H]2c2ccccc2)C1=O ZINC000662206131 954380536 /nfs/dbraw/zinc/38/05/36/954380536.db2.gz ONFRZXWGVHWAGV-MOPGFXCFSA-N 0 2 384.863 3.125 20 0 GGADLN O=C([O-])CN1CC[C@@H]([N@H+]2Cc3cc(Cl)ccc3C[C@H]2c2ccccc2)C1=O ZINC000662206131 954380545 /nfs/dbraw/zinc/38/05/45/954380545.db2.gz ONFRZXWGVHWAGV-MOPGFXCFSA-N 0 2 384.863 3.125 20 0 GGADLN C[C@H](C(=O)Nc1ccc(F)cc1Cl)[N@H+]1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000662221143 954389337 /nfs/dbraw/zinc/38/93/37/954389337.db2.gz CSBLZWYFNMGYKE-ABAIWWIYSA-N 0 2 376.815 3.490 20 0 GGADLN C[C@H](C(=O)Nc1ccc(F)cc1Cl)[N@@H+]1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000662221143 954389346 /nfs/dbraw/zinc/38/93/46/954389346.db2.gz CSBLZWYFNMGYKE-ABAIWWIYSA-N 0 2 376.815 3.490 20 0 GGADLN CC(C)(C)C[N@H+](CC(=O)[O-])CC(=O)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000662225028 954394776 /nfs/dbraw/zinc/39/47/76/954394776.db2.gz HMLSCLDWSAYQNX-UHFFFAOYSA-N 0 2 379.457 3.320 20 0 GGADLN CC(C)(C)C[N@@H+](CC(=O)[O-])CC(=O)Nc1nc(-c2ccc(F)cc2)cs1 ZINC000662225028 954394785 /nfs/dbraw/zinc/39/47/85/954394785.db2.gz HMLSCLDWSAYQNX-UHFFFAOYSA-N 0 2 379.457 3.320 20 0 GGADLN CC(C)(C)[C@@H](C(=O)[O-])C(=O)Nc1nc2ccccc2n1CCCn1cc[nH+]c1 ZINC000663109395 954499292 /nfs/dbraw/zinc/49/92/92/954499292.db2.gz ZDCYKQCOVWBRFV-MRXNPFEDSA-N 0 2 383.452 3.009 20 0 GGADLN CC1(C)C[C@]1(C(=O)[O-])C(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000663112756 954503603 /nfs/dbraw/zinc/50/36/03/954503603.db2.gz ADNOSNKJMNVSNL-IFXJQAMLSA-N 0 2 382.863 3.233 20 0 GGADLN CC[N@H+](CC(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1)Cc1ccccc1Cl ZINC000663134321 954521934 /nfs/dbraw/zinc/52/19/34/954521934.db2.gz IGLNCGSUUXZJDC-SFHVURJKSA-N 0 2 386.879 3.373 20 0 GGADLN CC[N@@H+](CC(=O)N1Cc2ccccc2[C@@H](C(=O)[O-])C1)Cc1ccccc1Cl ZINC000663134321 954521947 /nfs/dbraw/zinc/52/19/47/954521947.db2.gz IGLNCGSUUXZJDC-SFHVURJKSA-N 0 2 386.879 3.373 20 0 GGADLN CC(C)C[C@H](CNC(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1)CC(=O)[O-] ZINC000663346139 954538887 /nfs/dbraw/zinc/53/88/87/954538887.db2.gz RREHCBPSJMVULQ-IRXDYDNUSA-N 0 2 391.512 3.338 20 0 GGADLN O=C([O-])[C@@H]1CC(=O)N(C2CC[NH+](Cc3nc(C4CCCCC4)cs3)CC2)C1 ZINC001594898494 954592753 /nfs/dbraw/zinc/59/27/53/954592753.db2.gz LXXKCSSYEZBUDV-OAHLLOKOSA-N 0 2 391.537 3.088 20 0 GGADLN O=C([O-])[C@H]1CCCN(c2ccc(C[N@@H+]3CCO[C@@H](Cc4ccccc4)C3)o2)C1 ZINC001594919010 954788190 /nfs/dbraw/zinc/78/81/90/954788190.db2.gz YOCQYQPUBGQCOW-ICSRJNTNSA-N 0 2 384.476 3.024 20 0 GGADLN O=C([O-])[C@H]1CCCN(c2ccc(C[N@H+]3CCO[C@@H](Cc4ccccc4)C3)o2)C1 ZINC001594919010 954788202 /nfs/dbraw/zinc/78/82/02/954788202.db2.gz YOCQYQPUBGQCOW-ICSRJNTNSA-N 0 2 384.476 3.024 20 0 GGADLN O=C([O-])[C@H]1CN(C(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)Cc2ccccc21 ZINC001594942431 954903688 /nfs/dbraw/zinc/90/36/88/954903688.db2.gz IVZADKFZWCEARZ-MOPGFXCFSA-N 0 2 375.428 3.142 20 0 GGADLN O=C([O-])C=Cc1cc(C(=O)N[C@@H]2CCc3[nH+]c(C4CCCCC4)[nH]c3C2)co1 ZINC001594970042 955100848 /nfs/dbraw/zinc/10/08/48/955100848.db2.gz QATBCCAEICRNFE-SOIVGHGOSA-N 0 2 383.448 3.436 20 0 GGADLN O=C([O-])C=Cc1cc(C(=O)N[C@@H]2CCc3[nH]c(C4CCCCC4)[nH+]c3C2)co1 ZINC001594970042 955100860 /nfs/dbraw/zinc/10/08/60/955100860.db2.gz QATBCCAEICRNFE-SOIVGHGOSA-N 0 2 383.448 3.436 20 0 GGADLN CN(CCC(=O)[O-])C(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000818432130 955398927 /nfs/dbraw/zinc/39/89/27/955398927.db2.gz BLMNYDNAZNCXHY-UHFFFAOYSA-N 0 2 392.459 3.215 20 0 GGADLN COC(=O)c1cc(Br)oc1C[NH2+][C@@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC001593867836 955602759 /nfs/dbraw/zinc/60/27/59/955602759.db2.gz OOQLUUHCZOSPQU-WCQYABFASA-N 0 2 394.221 3.232 20 0 GGADLN C[C@H](NC(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000898846083 956270127 /nfs/dbraw/zinc/27/01/27/956270127.db2.gz RBADINURQWCWGA-DZJNRPSUSA-N 0 2 384.480 3.059 20 0 GGADLN CCOc1ccccc1C[N@@H+]1CCN(C(=O)c2coc(/C=C\C(=O)[O-])c2)[C@@H](C)C1 ZINC000901624361 956387385 /nfs/dbraw/zinc/38/73/85/956387385.db2.gz RRRIXAIQUPAHQN-QWGSZXSUSA-N 0 2 398.459 3.123 20 0 GGADLN CCOc1ccccc1C[N@H+]1CCN(C(=O)c2coc(/C=C\C(=O)[O-])c2)[C@@H](C)C1 ZINC000901624361 956387402 /nfs/dbraw/zinc/38/74/02/956387402.db2.gz RRRIXAIQUPAHQN-QWGSZXSUSA-N 0 2 398.459 3.123 20 0 GGADLN C[C@@H](c1cccc(NC(=O)N[C@H](CCC(C)(C)C)C(=O)[O-])c1)[NH+]1CCOCC1 ZINC001589175196 956492242 /nfs/dbraw/zinc/49/22/42/956492242.db2.gz SENFJQRBNQAVRC-MAUKXSAKSA-N 0 2 391.512 3.481 20 0 GGADLN O=C([O-])[C@H]([NH2+]CC(=O)Nc1ccc(Br)cc1F)c1ccc(F)cc1 ZINC001594697086 956780357 /nfs/dbraw/zinc/78/03/57/956780357.db2.gz QMEYMOUAYZRKNB-OAHLLOKOSA-N 0 2 399.191 3.081 20 0 GGADLN C[C@@H](CC(=O)[O-])NC(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC001603126993 972217281 /nfs/dbraw/zinc/21/72/81/972217281.db2.gz SWJIFFKOFWEREM-INIZCTEOSA-N 0 2 392.459 3.261 20 0 GGADLN CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1cc(C)cc(C(=O)[O-])c1 ZINC000911415837 957064989 /nfs/dbraw/zinc/06/49/89/957064989.db2.gz GIMOUEBTYOECRH-UHFFFAOYSA-N 0 2 381.476 3.467 20 0 GGADLN C[C@H]1C[NH+](Cc2ccccc2NC(=O)N2CCC(C)(C(=O)[O-])CC2)C[C@H](C)O1 ZINC001326581753 957325586 /nfs/dbraw/zinc/32/55/86/957325586.db2.gz FCXNLBZLDVCFSL-HOTGVXAUSA-N 0 2 389.496 3.014 20 0 GGADLN C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N2CCC(C)(C(=O)[O-])CC2)C[C@@H](C)O1 ZINC001326581754 957325927 /nfs/dbraw/zinc/32/59/27/957325927.db2.gz FCXNLBZLDVCFSL-HZPDHXFCSA-N 0 2 389.496 3.014 20 0 GGADLN O=C([O-])CCCC(=O)N1CC[NH+](Cc2cccc(OCc3ccccc3)c2)CC1 ZINC001334800852 957804707 /nfs/dbraw/zinc/80/47/07/957804707.db2.gz VTGWMDPINAIKDI-UHFFFAOYSA-N 0 2 396.487 3.165 20 0 GGADLN CC(C)(C)n1c[nH+]cc1[C@@H]1CCCN(C(=O)NCc2ccccc2C(=O)[O-])C1 ZINC001341326122 957966448 /nfs/dbraw/zinc/96/64/48/957966448.db2.gz JRMVQDKAKRLZIY-MRXNPFEDSA-N 0 2 384.480 3.426 20 0 GGADLN CC(C)(C)n1c[nH+]cc1[C@H]1CCCN(C(=O)c2ccc(OCC(=O)[O-])cc2)C1 ZINC001346370862 958067308 /nfs/dbraw/zinc/06/73/08/958067308.db2.gz NNOVQWCYRCNPPK-INIZCTEOSA-N 0 2 385.464 3.121 20 0 GGADLN O=C([O-])c1ccccc1C1CCN(C(=O)NCC[NH+]2Cc3ccccc3C2)CC1 ZINC001353155648 958150132 /nfs/dbraw/zinc/15/01/32/958150132.db2.gz LMJVRZAMBFWJJW-UHFFFAOYSA-N 0 2 393.487 3.290 20 0 GGADLN Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)Nc2ccnc(C(=O)[O-])c2)c(C)c1 ZINC001594350547 958349038 /nfs/dbraw/zinc/34/90/38/958349038.db2.gz FEEPFCXLJVEJQP-SFHVURJKSA-N 0 2 379.420 3.156 20 0 GGADLN Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)Nc2cc(C(=O)[O-])ccn2)c(C)c1 ZINC001594350988 958354312 /nfs/dbraw/zinc/35/43/12/958354312.db2.gz RRUCCODQPKLELR-KRWDZBQOSA-N 0 2 379.420 3.156 20 0 GGADLN Cc1ccc(C2=NN(C(=O)C[N@@H+](CC(=O)[O-])CC3CC3)[C@@H](c3ccco3)C2)cc1 ZINC001594353696 958387455 /nfs/dbraw/zinc/38/74/55/958387455.db2.gz UHANHSBREKPBCK-LJQANCHMSA-N 0 2 395.459 3.062 20 0 GGADLN Cc1ccc(C2=NN(C(=O)C[N@H+](CC(=O)[O-])CC3CC3)[C@@H](c3ccco3)C2)cc1 ZINC001594353696 958387473 /nfs/dbraw/zinc/38/74/73/958387473.db2.gz UHANHSBREKPBCK-LJQANCHMSA-N 0 2 395.459 3.062 20 0 GGADLN O=C([O-])[C@H]1C[N@H+](Cc2ccc(I)cc2)Cc2ccccc21 ZINC000115902342 958457455 /nfs/dbraw/zinc/45/74/55/958457455.db2.gz WXXNZQITUQPHIK-INIZCTEOSA-N 0 2 393.224 3.475 20 0 GGADLN O=C([O-])[C@H]1C[N@@H+](Cc2ccc(I)cc2)Cc2ccccc21 ZINC000115902342 958457466 /nfs/dbraw/zinc/45/74/66/958457466.db2.gz WXXNZQITUQPHIK-INIZCTEOSA-N 0 2 393.224 3.475 20 0 GGADLN Cc1ccc(NC(=O)C[NH2+][C@H](C(=O)[O-])c2ccc(F)cc2)c(Br)c1 ZINC001594369998 958540869 /nfs/dbraw/zinc/54/08/69/958540869.db2.gz XHOHQNWYVPLPJK-INIZCTEOSA-N 0 2 395.228 3.251 20 0 GGADLN COc1ccc2c(c1)C[N@@H+](Cc1cc(C(=O)[O-])nn1C)[C@H](c1ccccc1)C2 ZINC001594118065 958574653 /nfs/dbraw/zinc/57/46/53/958574653.db2.gz PHESPCBYKUFNCO-NRFANRHFSA-N 0 2 377.444 3.427 20 0 GGADLN COc1ccc2c(c1)C[N@H+](Cc1cc(C(=O)[O-])nn1C)[C@H](c1ccccc1)C2 ZINC001594118065 958574664 /nfs/dbraw/zinc/57/46/64/958574664.db2.gz PHESPCBYKUFNCO-NRFANRHFSA-N 0 2 377.444 3.427 20 0 GGADLN Cc1cccc([C@@H](NC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)C(=O)[O-])c1 ZINC001594394010 958753722 /nfs/dbraw/zinc/75/37/22/958753722.db2.gz PRXZHWYLJMTMSM-MRXNPFEDSA-N 0 2 388.493 3.385 20 0 GGADLN Cc1cccc([C@@H]([NH2+]CC(=O)Nc2ccc(Br)cc2C)C(=O)[O-])c1 ZINC001594398952 958816008 /nfs/dbraw/zinc/81/60/08/958816008.db2.gz HLQXZHTUPOCQIF-QGZVFWFLSA-N 0 2 391.265 3.420 20 0 GGADLN Cc1cccc([C@H]([NH2+]CC(=O)Nc2ccc(Br)cc2C)C(=O)[O-])c1 ZINC001594398947 958817058 /nfs/dbraw/zinc/81/70/58/958817058.db2.gz HLQXZHTUPOCQIF-KRWDZBQOSA-N 0 2 391.265 3.420 20 0 GGADLN Cc1cccc(NC(=O)c2ccccc2NC(=O)C[N@H+](CC(=O)[O-])C2CCC2)c1 ZINC001594407738 958910846 /nfs/dbraw/zinc/91/08/46/958910846.db2.gz MXGXYIXFGJGYOP-UHFFFAOYSA-N 0 2 395.459 3.125 20 0 GGADLN Cc1cccc(NC(=O)c2ccccc2NC(=O)C[N@@H+](CC(=O)[O-])C2CCC2)c1 ZINC001594407738 958910854 /nfs/dbraw/zinc/91/08/54/958910854.db2.gz MXGXYIXFGJGYOP-UHFFFAOYSA-N 0 2 395.459 3.125 20 0 GGADLN C[C@@H](C(=O)Nc1c(F)c(F)c(F)c(F)c1F)[N@@H+]1CCC[C@H](CCC(=O)[O-])C1 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PZTAJYLCWFJBMF-LJQANCHMSA-N 0 2 392.459 3.336 20 0 GGADLN CC(C)(C)OC(=O)C[N@H+](Cc1ccc(N2CCC[C@@H](C(=O)[O-])C2)o1)C1CCC1 ZINC001588670952 960522408 /nfs/dbraw/zinc/52/24/08/960522408.db2.gz STYWFOIGXHPPCU-OAHLLOKOSA-N 0 2 392.496 3.277 20 0 GGADLN CC(C)(C)OC(=O)C[N@@H+](Cc1ccc(N2CCC[C@@H](C(=O)[O-])C2)o1)C1CCC1 ZINC001588670952 960522421 /nfs/dbraw/zinc/52/24/21/960522421.db2.gz STYWFOIGXHPPCU-OAHLLOKOSA-N 0 2 392.496 3.277 20 0 GGADLN CC(C)(C)c1ccc(CCNC(=O)C[NH2+][C@@H](C(=O)[O-])c2ccc(F)cc2)cc1 ZINC001588739752 961158558 /nfs/dbraw/zinc/15/85/58/961158558.db2.gz RZGQITBOJYLAGH-HXUWFJFHSA-N 0 2 386.467 3.197 20 0 GGADLN O=C([O-])c1cccc(C(=O)Nc2ccc3nc(C[NH+]4CCCCC4)[nH]c3c2)c1 ZINC001329578921 961278395 /nfs/dbraw/zinc/27/83/95/961278395.db2.gz INQZMTGZXBYWFM-UHFFFAOYSA-N 0 2 378.432 3.499 20 0 GGADLN CN(C)c1[nH+]ccc2cc(NC(=O)NC[C@](C)(C(=O)[O-])c3ccccc3)ccc21 ZINC001573996676 961840908 /nfs/dbraw/zinc/84/09/08/961840908.db2.gz BKBAAQOJGSKMPH-QFIPXVFZSA-N 0 2 392.459 3.465 20 0 GGADLN 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C[C@@H](C(=O)[O-])[N@@H+](CC(=O)N1CCc2sccc2[C@H]1c1ccccc1)C1CC1 ZINC000263211184 967861437 /nfs/dbraw/zinc/86/14/37/967861437.db2.gz ZBZDKQVBLNRAAO-VBKZILBWSA-N 0 2 384.501 3.160 20 0 GGADLN C[C@H](C(=O)[O-])[N@H+](CC(=O)Nc1ccc(N2CCc3ccccc32)cc1)C1CC1 ZINC000420264523 968345875 /nfs/dbraw/zinc/34/58/75/968345875.db2.gz AHLQFLNWBLJYAP-OAHLLOKOSA-N 0 2 379.460 3.257 20 0 GGADLN C[C@H](C(=O)[O-])[N@@H+](CC(=O)Nc1ccc(N2CCc3ccccc32)cc1)C1CC1 ZINC000420264523 968345888 /nfs/dbraw/zinc/34/58/88/968345888.db2.gz AHLQFLNWBLJYAP-OAHLLOKOSA-N 0 2 379.460 3.257 20 0 GGADLN C[C@@H](C(=O)[O-])[N@H+](CC(=O)Nc1ccc(N2CCc3ccccc32)cc1)C1CC1 ZINC000420264520 968346329 /nfs/dbraw/zinc/34/63/29/968346329.db2.gz AHLQFLNWBLJYAP-HNNXBMFYSA-N 0 2 379.460 3.257 20 0 GGADLN C[C@@H](C(=O)[O-])[N@@H+](CC(=O)Nc1ccc(N2CCc3ccccc32)cc1)C1CC1 ZINC000420264520 968346337 /nfs/dbraw/zinc/34/63/37/968346337.db2.gz AHLQFLNWBLJYAP-HNNXBMFYSA-N 0 2 379.460 3.257 20 0 GGADLN 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C[C@@H](NC(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655579680 968685864 /nfs/dbraw/zinc/68/58/64/968685864.db2.gz WNQDPMWIRXAPEX-BZZMCLGOSA-N 0 2 390.549 3.028 20 0 GGADLN C[C@H](NC(=O)[C@H](c1ccccc1)[NH+]1CCSCC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655579682 968686009 /nfs/dbraw/zinc/68/60/09/968686009.db2.gz WNQDPMWIRXAPEX-OWLYRPNTSA-N 0 2 390.549 3.028 20 0 GGADLN O=C([O-])c1cccc(CNC(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000666563428 968846389 /nfs/dbraw/zinc/84/63/89/968846389.db2.gz DMRXRXNPDUFLNM-QGZVFWFLSA-N 0 2 382.464 3.007 20 0 GGADLN C[N@@H+](Cc1ccn(-c2ccccc2)n1)Cc1ccc(N2CCC(C(=O)[O-])CC2)o1 ZINC000904190950 969599125 /nfs/dbraw/zinc/59/91/25/969599125.db2.gz FGAWVWSXRCPGTN-UHFFFAOYSA-N 0 2 394.475 3.398 20 0 GGADLN C[N@H+](Cc1ccn(-c2ccccc2)n1)Cc1ccc(N2CCC(C(=O)[O-])CC2)o1 ZINC000904190950 969599135 /nfs/dbraw/zinc/59/91/35/969599135.db2.gz FGAWVWSXRCPGTN-UHFFFAOYSA-N 0 2 394.475 3.398 20 0 GGADLN 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CC[N@@H+](CC(=O)NC[C@@H](C(=O)[O-])c1ccc(C)cc1)Cc1ccccc1Cl ZINC000909253403 981446518 /nfs/dbraw/zinc/44/65/18/981446518.db2.gz QQRDGXMJGUGBBK-GOSISDBHSA-N 0 2 388.895 3.455 20 0 GGADLN CC(C)[C@@H](C(=O)Nc1ccc(C[C@@H](C)C(=O)[O-])cc1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000909518592 981524592 /nfs/dbraw/zinc/52/45/92/981524592.db2.gz CBCCRVXUYLHZDN-JEWRLFTDSA-N 0 2 376.497 3.022 20 0 GGADLN CC(C)[C@@H](C(=O)Nc1ccc(C[C@@H](C)C(=O)[O-])cc1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000909518592 981524595 /nfs/dbraw/zinc/52/45/95/981524595.db2.gz CBCCRVXUYLHZDN-JEWRLFTDSA-N 0 2 376.497 3.022 20 0 GGADLN CC[C@](CNC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1)(C(=O)[O-])c1ccccc1 ZINC000909845171 981669565 /nfs/dbraw/zinc/66/95/65/981669565.db2.gz JFTNVIMNPVMVAY-WMZHIEFXSA-N 0 2 391.471 3.481 20 0 GGADLN O=C([O-])c1ccc(CNC(=O)[C@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)s1 ZINC000909847579 981674223 /nfs/dbraw/zinc/67/42/23/981674223.db2.gz SKLXFWATMDPMFD-MRXNPFEDSA-N 0 2 376.453 3.256 20 0 GGADLN O=C([O-])c1ccc(CNC(=O)[C@H]2CCCC[N@H+]2Cc2ccc(F)cc2)s1 ZINC000909847579 981674230 /nfs/dbraw/zinc/67/42/30/981674230.db2.gz SKLXFWATMDPMFD-MRXNPFEDSA-N 0 2 376.453 3.256 20 0 GGADLN Cc1c(NC(=O)Cc2cn3c([nH+]2)CCCC3)cc(Br)cc1C(=O)[O-] ZINC000910077570 981753788 /nfs/dbraw/zinc/75/37/88/981753788.db2.gz AEFQNZGQWVBDMK-UHFFFAOYSA-N 0 2 392.253 3.170 20 0 GGADLN CCCC[C@@H](C(=O)Nc1cc(C)on1)[N@@H+]1CCc2c(F)ccc(C(=O)[O-])c2C1 ZINC001595627494 981773180 /nfs/dbraw/zinc/77/31/80/981773180.db2.gz HWFPIHQUMSUADG-KRWDZBQOSA-N 0 2 389.427 3.376 20 0 GGADLN CCCC[C@@H](C(=O)Nc1cc(C)on1)[N@H+]1CCc2c(F)ccc(C(=O)[O-])c2C1 ZINC001595627494 981773184 /nfs/dbraw/zinc/77/31/84/981773184.db2.gz HWFPIHQUMSUADG-KRWDZBQOSA-N 0 2 389.427 3.376 20 0 GGADLN Cc1sc([C@H]2CCCN2C(=O)Cc2ccc(-n3cc[nH+]c3)cc2)nc1C(=O)[O-] ZINC000910719035 982081092 /nfs/dbraw/zinc/08/10/92/982081092.db2.gz QDCUCZXNIPOVNW-MRXNPFEDSA-N 0 2 396.472 3.242 20 0 GGADLN CC[N@H+](CC(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)[O-])Cc1ccccc1Cl ZINC000910922250 982165286 /nfs/dbraw/zinc/16/52/86/982165286.db2.gz JUGABEHKHQAHMQ-SFHVURJKSA-N 0 2 392.858 3.113 20 0 GGADLN CC[N@@H+](CC(=O)N[C@@H](Cc1ccc(F)cc1)C(=O)[O-])Cc1ccccc1Cl ZINC000910922250 982165293 /nfs/dbraw/zinc/16/52/93/982165293.db2.gz JUGABEHKHQAHMQ-SFHVURJKSA-N 0 2 392.858 3.113 20 0 GGADLN C[C@@H]1C[NH+](Cc2ccccc2NC(=O)c2ccc(/C=C\C(=O)[O-])o2)C[C@@H](C)O1 ZINC000911205913 982284416 /nfs/dbraw/zinc/28/44/16/982284416.db2.gz IBFSKMCWADRUBK-XIQZNWFMSA-N 0 2 384.432 3.239 20 0 GGADLN C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)Cc2cccc(C(=O)[O-])c2)C[C@H](C)O1 ZINC000911207172 982285005 /nfs/dbraw/zinc/28/50/05/982285005.db2.gz NICLVGGRUPLZCM-IYBDPMFKSA-N 0 2 382.460 3.175 20 0 GGADLN C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)Cc2cccc(C(=O)[O-])c2)C[C@H](C)O1 ZINC000911207172 982285013 /nfs/dbraw/zinc/28/50/13/982285013.db2.gz NICLVGGRUPLZCM-IYBDPMFKSA-N 0 2 382.460 3.175 20 0 GGADLN O=C([O-])C12CCC(C(=O)N3CC[NH+](C/C=C/c4ccccc4)CC3)(CC1)CC2 ZINC000911239360 982308574 /nfs/dbraw/zinc/30/85/74/982308574.db2.gz HDTKHAXTNNLBLM-QPJJXVBHSA-N 0 2 382.504 3.269 20 0 GGADLN Cc1ccc(C(=O)N(Cc2ccccc2)[C@@H](C)C[NH+]2CCOCC2)cc1C(=O)[O-] ZINC000911339451 982364176 /nfs/dbraw/zinc/36/41/76/982364176.db2.gz LFJYVNDAKWWJMA-SFHVURJKSA-N 0 2 396.487 3.056 20 0 GGADLN CCc1ccc(C[NH+]2CCN(C(=O)C34CCC(C(=O)[O-])(CC3)CC4)CC2)s1 ZINC000911342778 982368205 /nfs/dbraw/zinc/36/82/05/982368205.db2.gz VLMNBMGKLVZARB-UHFFFAOYSA-N 0 2 390.549 3.380 20 0 GGADLN C[C@H](c1ccsc1)[NH+]1CCN(C(=O)Cn2cc(C(=O)[O-])c3ccccc32)CC1 ZINC000911511288 982465941 /nfs/dbraw/zinc/46/59/41/982465941.db2.gz SIZAWNNXFWBDRH-OAHLLOKOSA-N 0 2 397.500 3.306 20 0 GGADLN C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)Cn2cc(C(=O)[O-])c3ccccc32)CC1 ZINC000911511286 982466018 /nfs/dbraw/zinc/46/60/18/982466018.db2.gz SIZAWNNXFWBDRH-HNNXBMFYSA-N 0 2 397.500 3.306 20 0 GGADLN CC(C)C[C@H](C(=O)N1CCC(Nc2cccc(C(=O)[O-])c2)CC1)n1cc[nH+]c1 ZINC000911598870 982532317 /nfs/dbraw/zinc/53/23/17/982532317.db2.gz UZXDCLKYENDWRP-LJQANCHMSA-N 0 2 384.480 3.272 20 0 GGADLN CC[C@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccc(C(=O)[O-])o1 ZINC001594931573 982567544 /nfs/dbraw/zinc/56/75/44/982567544.db2.gz RVYPOADFKNNEGK-WMLDXEAASA-N 0 2 385.464 3.054 20 0 GGADLN CC[C@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccc(C(=O)[O-])o1 ZINC001594931573 982567556 /nfs/dbraw/zinc/56/75/56/982567556.db2.gz RVYPOADFKNNEGK-WMLDXEAASA-N 0 2 385.464 3.054 20 0 GGADLN CC[C@@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1Cc1cc(C(=O)[O-])n(C)c1 ZINC001594931825 982570376 /nfs/dbraw/zinc/57/03/76/982570376.db2.gz XJKJPCBXHMMULT-IIBYNOLFSA-N 0 2 384.524 3.159 20 0 GGADLN CC[C@@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1Cc1cc(C(=O)[O-])n(C)c1 ZINC001594931825 982570380 /nfs/dbraw/zinc/57/03/80/982570380.db2.gz XJKJPCBXHMMULT-IIBYNOLFSA-N 0 2 384.524 3.159 20 0 GGADLN CC[C@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1Cc1cc(C(=O)[O-])n(C)c1 ZINC001594931827 982570577 /nfs/dbraw/zinc/57/05/77/982570577.db2.gz XJKJPCBXHMMULT-KKSFZXQISA-N 0 2 384.524 3.159 20 0 GGADLN CC[C@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1Cc1cc(C(=O)[O-])n(C)c1 ZINC001594931827 982570584 /nfs/dbraw/zinc/57/05/84/982570584.db2.gz XJKJPCBXHMMULT-KKSFZXQISA-N 0 2 384.524 3.159 20 0 GGADLN CC[C@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cc(C(=O)[O-])co1 ZINC001594931918 982572364 /nfs/dbraw/zinc/57/23/64/982572364.db2.gz ZIFAUBVJPQTYIC-KSSFIOAISA-N 0 2 385.464 3.054 20 0 GGADLN CC[C@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cc(C(=O)[O-])co1 ZINC001594931918 982572370 /nfs/dbraw/zinc/57/23/70/982572370.db2.gz ZIFAUBVJPQTYIC-KSSFIOAISA-N 0 2 385.464 3.054 20 0 GGADLN CCCCn1c(SCc2ncccc2C(=O)[O-])nnc1[C@@H](CC)[NH+](C)C ZINC001595802121 982616928 /nfs/dbraw/zinc/61/69/28/982616928.db2.gz DKWQKKAKOMDNCF-OAHLLOKOSA-N 0 2 377.514 3.476 20 0 GGADLN CC(C)Oc1c(NC(=O)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cccc1C(=O)[O-] ZINC000911738127 982620674 /nfs/dbraw/zinc/62/06/74/982620674.db2.gz OUXROZJQBOWSNQ-IBGZPJMESA-N 0 2 398.459 3.012 20 0 GGADLN CC(C)Oc1c(NC(=O)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cccc1C(=O)[O-] ZINC000911738127 982620680 /nfs/dbraw/zinc/62/06/80/982620680.db2.gz OUXROZJQBOWSNQ-IBGZPJMESA-N 0 2 398.459 3.012 20 0 GGADLN CSc1ccc(NC(=O)[C@H]2CCCC[N@@H+]2Cc2cccnc2)cc1C(=O)[O-] ZINC001119587236 982995897 /nfs/dbraw/zinc/99/58/97/982995897.db2.gz ZQIWXOOYPURSBE-QGZVFWFLSA-N 0 2 385.489 3.495 20 0 GGADLN CSc1ccc(NC(=O)[C@H]2CCCC[N@H+]2Cc2cccnc2)cc1C(=O)[O-] ZINC001119587236 982995899 /nfs/dbraw/zinc/99/58/99/982995899.db2.gz ZQIWXOOYPURSBE-QGZVFWFLSA-N 0 2 385.489 3.495 20 0 GGADLN CSc1ccc(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2cccnc2)cc1C(=O)[O-] ZINC001119587234 982996014 /nfs/dbraw/zinc/99/60/14/982996014.db2.gz ZQIWXOOYPURSBE-KRWDZBQOSA-N 0 2 385.489 3.495 20 0 GGADLN CSc1ccc(NC(=O)[C@@H]2CCCC[N@H+]2Cc2cccnc2)cc1C(=O)[O-] ZINC001119587234 982996018 /nfs/dbraw/zinc/99/60/18/982996018.db2.gz ZQIWXOOYPURSBE-KRWDZBQOSA-N 0 2 385.489 3.495 20 0 GGADLN CCCn1cc(C[N@@H+]2Cc3cccc(Br)c3C[C@@H]2C(=O)[O-])cn1 ZINC001596116344 983447730 /nfs/dbraw/zinc/44/77/30/983447730.db2.gz CWWINIYTRKHZTP-MRXNPFEDSA-N 0 2 378.270 3.067 20 0 GGADLN CCCn1cc(C[N@H+]2Cc3cccc(Br)c3C[C@@H]2C(=O)[O-])cn1 ZINC001596116344 983447732 /nfs/dbraw/zinc/44/77/32/983447732.db2.gz CWWINIYTRKHZTP-MRXNPFEDSA-N 0 2 378.270 3.067 20 0 GGADLN CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1ccc(C(=O)[O-])cc1N(C)C ZINC001596117831 983450194 /nfs/dbraw/zinc/45/01/94/983450194.db2.gz BPPKOJDRDFQXHY-UHFFFAOYSA-N 0 2 387.484 3.154 20 0 GGADLN CCCn1c[nH+]cc1CN1Cc2cccc(Br)c2C[C@@H]1C(=O)[O-] ZINC001596118061 983451002 /nfs/dbraw/zinc/45/10/02/983451002.db2.gz HZOBDHZYMZNBHL-MRXNPFEDSA-N 0 2 378.270 3.067 20 0 GGADLN CCN(C(C)=O)c1nc(C[NH2+][C@](C)(CC(=O)[O-])c2cccc(F)c2)cs1 ZINC001596178193 983547818 /nfs/dbraw/zinc/54/78/18/983547818.db2.gz OTOBTCUAJADKMS-GOSISDBHSA-N 0 2 379.457 3.135 20 0 GGADLN CC[N@H+](CC(=O)Nc1nc(C)c(Cc2ccc(C)cc2)s1)C(C)(C)C(=O)[O-] ZINC001596201495 983586505 /nfs/dbraw/zinc/58/65/05/983586505.db2.gz DUXRPQHBRJXJPB-UHFFFAOYSA-N 0 2 389.521 3.474 20 0 GGADLN CC[N@@H+](CC(=O)Nc1nc(C)c(Cc2ccc(C)cc2)s1)C(C)(C)C(=O)[O-] ZINC001596201495 983586510 /nfs/dbraw/zinc/58/65/10/983586510.db2.gz DUXRPQHBRJXJPB-UHFFFAOYSA-N 0 2 389.521 3.474 20 0 GGADLN CC[N@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1[nH]cc(C(=O)[O-])c1C1CC1 ZINC001596208278 983596965 /nfs/dbraw/zinc/59/69/65/983596965.db2.gz MKLQANSPIRFFHZ-UHFFFAOYSA-N 0 2 398.463 3.009 20 0 GGADLN CC[N@@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)Cc1[nH]cc(C(=O)[O-])c1C1CC1 ZINC001596208278 983596968 /nfs/dbraw/zinc/59/69/68/983596968.db2.gz MKLQANSPIRFFHZ-UHFFFAOYSA-N 0 2 398.463 3.009 20 0 GGADLN CCN(CC)C(=O)[C@@H]([NH2+]Cc1ccc(Cl)c(C(=O)[O-])n1)c1ccccc1 ZINC001596238241 983639217 /nfs/dbraw/zinc/63/92/17/983639217.db2.gz ZFLCKMUDCOSDCO-INIZCTEOSA-N 0 2 375.856 3.133 20 0 GGADLN CC[N@H+](CCC(=O)[O-])Cc1csc(N(C(C)=O)c2ccc(OC)cc2)n1 ZINC001596315945 983748170 /nfs/dbraw/zinc/74/81/70/983748170.db2.gz ITPFSKPSFMKGFJ-UHFFFAOYSA-N 0 2 377.466 3.133 20 0 GGADLN CC[N@@H+](CCC(=O)[O-])Cc1csc(N(C(C)=O)c2ccc(OC)cc2)n1 ZINC001596315945 983748175 /nfs/dbraw/zinc/74/81/75/983748175.db2.gz ITPFSKPSFMKGFJ-UHFFFAOYSA-N 0 2 377.466 3.133 20 0 GGADLN CCOC(=O)[C@H](Cc1ccccc1)[N@H+](Cc1cc(C(=O)[O-])c(C)n1C)C1CC1 ZINC001596536447 984378060 /nfs/dbraw/zinc/37/80/60/984378060.db2.gz UYHAULUNAZKMGH-FQEVSTJZSA-N 0 2 384.476 3.171 20 0 GGADLN CCOC(=O)[C@H](Cc1ccccc1)[N@@H+](Cc1cc(C(=O)[O-])c(C)n1C)C1CC1 ZINC001596536447 984378067 /nfs/dbraw/zinc/37/80/67/984378067.db2.gz UYHAULUNAZKMGH-FQEVSTJZSA-N 0 2 384.476 3.171 20 0 GGADLN CCOC(=O)[C@@H](c1ccc(Cl)cc1)[N@H+](CC)C[C@@H]1CC(C(=O)[O-])=C(C)O1 ZINC001596542407 984387590 /nfs/dbraw/zinc/38/75/90/984387590.db2.gz BITNJGPJGFIVKY-DOTOQJQBSA-N 0 2 381.856 3.414 20 0 GGADLN CCOC(=O)[C@@H](c1ccc(Cl)cc1)[N@@H+](CC)C[C@@H]1CC(C(=O)[O-])=C(C)O1 ZINC001596542407 984387599 /nfs/dbraw/zinc/38/75/99/984387599.db2.gz BITNJGPJGFIVKY-DOTOQJQBSA-N 0 2 381.856 3.414 20 0 GGADLN C/C(=C\c1ccccc1)C[N@H+](C)CN1C(=O)CN(c2cccc(C(=O)[O-])c2)C1=O ZINC001589004157 984961981 /nfs/dbraw/zinc/96/19/81/984961981.db2.gz ZBHPKHQADNTXOV-LFIBNONCSA-N 0 2 393.443 3.146 20 0 GGADLN C/C(=C\c1ccccc1)C[N@@H+](C)CN1C(=O)CN(c2cccc(C(=O)[O-])c2)C1=O ZINC001589004157 984961992 /nfs/dbraw/zinc/96/19/92/984961992.db2.gz ZBHPKHQADNTXOV-LFIBNONCSA-N 0 2 393.443 3.146 20 0 GGADLN CCOC(=O)c1oc2ccccc2c1C[N@@H+]1CCCC[C@]1(COC)C(=O)[O-] ZINC001596755249 985124961 /nfs/dbraw/zinc/12/49/61/985124961.db2.gz QCQFBGIVSAXGQL-FQEVSTJZSA-N 0 2 375.421 3.065 20 0 GGADLN CCOC(=O)c1oc2ccccc2c1C[N@H+]1CCCC[C@]1(COC)C(=O)[O-] ZINC001596755249 985124963 /nfs/dbraw/zinc/12/49/63/985124963.db2.gz QCQFBGIVSAXGQL-FQEVSTJZSA-N 0 2 375.421 3.065 20 0 GGADLN CC(=O)N(c1nc(C[N@@H+](C)C[C@H](C)C(=O)[O-])cs1)c1ccc(F)cc1F ZINC001589053599 985147681 /nfs/dbraw/zinc/14/76/81/985147681.db2.gz BPNDFWGURKKXFC-JTQLQIEISA-N 0 2 383.420 3.258 20 0 GGADLN CC(=O)N(c1nc(C[N@H+](C)C[C@H](C)C(=O)[O-])cs1)c1ccc(F)cc1F ZINC001589053599 985147686 /nfs/dbraw/zinc/14/76/86/985147686.db2.gz BPNDFWGURKKXFC-JTQLQIEISA-N 0 2 383.420 3.258 20 0 GGADLN C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H](c2noc([C@@H]3CCC[C@H](C(=O)[O-])C3)n2)O1 ZINC001599930252 985300312 /nfs/dbraw/zinc/30/03/12/985300312.db2.gz LAKBRTBMMNKEML-RANZSIQMSA-N 0 2 385.464 3.390 20 0 GGADLN C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H](c2noc([C@@H]3CCC[C@H](C(=O)[O-])C3)n2)O1 ZINC001599930252 985300327 /nfs/dbraw/zinc/30/03/27/985300327.db2.gz LAKBRTBMMNKEML-RANZSIQMSA-N 0 2 385.464 3.390 20 0 GGADLN C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H](c2noc([C@H]3CC[C@H](C(=O)[O-])CC3)n2)O1 ZINC001599930274 985300442 /nfs/dbraw/zinc/30/04/42/985300442.db2.gz MUAFTXSZIBODFQ-DKIMLUQUSA-N 0 2 385.464 3.390 20 0 GGADLN C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H](c2noc([C@H]3CC[C@H](C(=O)[O-])CC3)n2)O1 ZINC001599930274 985300454 /nfs/dbraw/zinc/30/04/54/985300454.db2.gz MUAFTXSZIBODFQ-DKIMLUQUSA-N 0 2 385.464 3.390 20 0 GGADLN Cc1[nH]c(C(=O)C[N@@H+]2CCCC[C@H]2CC(=O)OC(C)(C)C)c(C)c1C(=O)[O-] ZINC001599945512 985520389 /nfs/dbraw/zinc/52/03/89/985520389.db2.gz OFZFNUKSTLXLMM-AWEZNQCLSA-N 0 2 378.469 3.099 20 0 GGADLN Cc1[nH]c(C(=O)C[N@H+]2CCCC[C@H]2CC(=O)OC(C)(C)C)c(C)c1C(=O)[O-] ZINC001599945512 985520396 /nfs/dbraw/zinc/52/03/96/985520396.db2.gz OFZFNUKSTLXLMM-AWEZNQCLSA-N 0 2 378.469 3.099 20 0 GGADLN Cc1[nH]c(C(=O)C[NH+]2CCC(OCc3ccc(F)cc3)CC2)c(C)c1C(=O)[O-] ZINC001599945550 985520516 /nfs/dbraw/zinc/52/05/16/985520516.db2.gz OVFJJAJXPVTNPK-UHFFFAOYSA-N 0 2 388.439 3.333 20 0 GGADLN CCO[C@@H]1CCC[N@H+](CC(=O)Nc2sc3c(c2C(=O)[O-])CC[C@H](C)C3)C1 ZINC001596854643 985599544 /nfs/dbraw/zinc/59/95/44/985599544.db2.gz GUUNXUXVNUYKBN-QWHCGFSZSA-N 0 2 380.510 3.011 20 0 GGADLN CCO[C@@H]1CCC[N@@H+](CC(=O)Nc2sc3c(c2C(=O)[O-])CC[C@H](C)C3)C1 ZINC001596854643 985599553 /nfs/dbraw/zinc/59/95/53/985599553.db2.gz GUUNXUXVNUYKBN-QWHCGFSZSA-N 0 2 380.510 3.011 20 0 GGADLN Cc1[nH]c(C(=O)NCCN(Cc2ccccc2)c2cccc[nH+]2)c(C)c1C(=O)[O-] ZINC001599953170 985644063 /nfs/dbraw/zinc/64/40/63/985644063.db2.gz OZCGGIDKDMKVIC-UHFFFAOYSA-N 0 2 392.459 3.161 20 0 GGADLN 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0 2 389.452 3.339 20 0 GGADLN CC(C)C[N@H+](CC(=O)[O-])Cc1nc(=O)c2sc(-c3ccc(F)cc3)cc2[nH]1 ZINC001591303303 992251104 /nfs/dbraw/zinc/25/11/04/992251104.db2.gz SCBFYFWCXOMVQM-UHFFFAOYSA-N 0 2 389.452 3.333 20 0 GGADLN CC(C)C[N@@H+](CC(=O)[O-])Cc1nc(=O)c2sc(-c3ccc(F)cc3)cc2[nH]1 ZINC001591303303 992251113 /nfs/dbraw/zinc/25/11/13/992251113.db2.gz SCBFYFWCXOMVQM-UHFFFAOYSA-N 0 2 389.452 3.333 20 0 GGADLN CS(=O)(=O)c1ccccc1C[NH2+]Cc1ccc(-c2ccc(C(=O)[O-])cc2)o1 ZINC001599773595 992275135 /nfs/dbraw/zinc/27/51/35/992275135.db2.gz OZSQNSCYARDXQR-UHFFFAOYSA-N 0 2 385.441 3.338 20 0 GGADLN CC(C)CO[C@@H]1CC[N@H+](CC(=O)Nc2sc3c(c2C(=O)[O-])CC[C@@H](C)C3)C1 ZINC001591390800 992446045 /nfs/dbraw/zinc/44/60/45/992446045.db2.gz LOYMFCGMRZUFIH-ZIAGYGMSSA-N 0 2 394.537 3.257 20 0 GGADLN CC(C)CO[C@@H]1CC[N@@H+](CC(=O)Nc2sc3c(c2C(=O)[O-])CC[C@@H](C)C3)C1 ZINC001591390800 992446051 /nfs/dbraw/zinc/44/60/51/992446051.db2.gz LOYMFCGMRZUFIH-ZIAGYGMSSA-N 0 2 394.537 3.257 20 0 GGADLN CC(C)CO[C@H]1CC[N@H+](CC(=O)Nc2sc3c(c2C(=O)[O-])CCCC3)C1 ZINC001591390856 992446738 /nfs/dbraw/zinc/44/67/38/992446738.db2.gz NHWVZPCTCBSGFZ-ZDUSSCGKSA-N 0 2 380.510 3.011 20 0 GGADLN CC(C)CO[C@H]1CC[N@@H+](CC(=O)Nc2sc3c(c2C(=O)[O-])CCCC3)C1 ZINC001591390856 992446744 /nfs/dbraw/zinc/44/67/44/992446744.db2.gz NHWVZPCTCBSGFZ-ZDUSSCGKSA-N 0 2 380.510 3.011 20 0 GGADLN CN(Cc1c(F)cccc1Cl)C(=O)C[NH2+][C@](C)(C(=O)[O-])c1ccc(F)cc1 ZINC001598505217 992495380 /nfs/dbraw/zinc/49/53/80/992495380.db2.gz FZSUUBXYJFOBMG-IBGZPJMESA-N 0 2 396.821 3.166 20 0 GGADLN CN(Cc1ccc(C(=O)[O-])cc1)C(=O)N[C@H]1CC[C@H](Nc2cccc[nH+]2)CC1 ZINC001598512667 992579329 /nfs/dbraw/zinc/57/93/29/992579329.db2.gz PLCDMJNMPFGHPH-IYARVYRRSA-N 0 2 382.464 3.345 20 0 GGADLN CC(C)Cc1nnc(NC(=O)C[NH2+][C@H](C(=O)[O-])c2cccc3ccccc32)s1 ZINC001591499679 992646867 /nfs/dbraw/zinc/64/68/67/992646867.db2.gz XHPLKSYNRZDAMO-SFHVURJKSA-N 0 2 398.488 3.244 20 0 GGADLN CC(C)Cn1c([C@H]2CCCC[N@@H+]2C)nnc1N1CCC(CCC(=O)[O-])CC1 ZINC001591507883 992660593 /nfs/dbraw/zinc/66/05/93/992660593.db2.gz JJXAVCJZNLWNHF-QGZVFWFLSA-N 0 2 377.533 3.172 20 0 GGADLN CC(C)Cn1c([C@H]2CCCC[N@H+]2C)nnc1N1CCC(CCC(=O)[O-])CC1 ZINC001591507883 992660595 /nfs/dbraw/zinc/66/05/95/992660595.db2.gz JJXAVCJZNLWNHF-QGZVFWFLSA-N 0 2 377.533 3.172 20 0 GGADLN C[N@@H+](Cc1ccc(OCC(=O)[O-])cc1)Cc1nc2ccc(Cl)cc2c(=O)[nH]1 ZINC001598523926 992695484 /nfs/dbraw/zinc/69/54/84/992695484.db2.gz NAPGSCKLZYOFDB-UHFFFAOYSA-N 0 2 387.823 3.084 20 0 GGADLN C[N@H+](Cc1ccc(OCC(=O)[O-])cc1)Cc1nc2ccc(Cl)cc2c(=O)[nH]1 ZINC001598523926 992695487 /nfs/dbraw/zinc/69/54/87/992695487.db2.gz NAPGSCKLZYOFDB-UHFFFAOYSA-N 0 2 387.823 3.084 20 0 GGADLN C[N@@H+](Cc1ccc(OCC(=O)[O-])cc1)Cc1nc2cc(Cl)ccc2c(=O)[nH]1 ZINC001598524238 992698859 /nfs/dbraw/zinc/69/88/59/992698859.db2.gz STRRNMGOTJQZFY-UHFFFAOYSA-N 0 2 387.823 3.084 20 0 GGADLN C[N@H+](Cc1ccc(OCC(=O)[O-])cc1)Cc1nc2cc(Cl)ccc2c(=O)[nH]1 ZINC001598524238 992698861 /nfs/dbraw/zinc/69/88/61/992698861.db2.gz STRRNMGOTJQZFY-UHFFFAOYSA-N 0 2 387.823 3.084 20 0 GGADLN C[N@H+](Cc1ccc(OCc2ccccc2F)nc1)[C@@H](COC1CCC1)C(=O)[O-] ZINC001598524551 992703371 /nfs/dbraw/zinc/70/33/71/992703371.db2.gz FPWVTMKVWNBAFN-IBGZPJMESA-N 0 2 388.439 3.254 20 0 GGADLN C[N@@H+](Cc1ccc(OCc2ccccc2F)nc1)[C@@H](COC1CCC1)C(=O)[O-] ZINC001598524551 992703377 /nfs/dbraw/zinc/70/33/77/992703377.db2.gz FPWVTMKVWNBAFN-IBGZPJMESA-N 0 2 388.439 3.254 20 0 GGADLN C[N@@H+](Cc1ccccc1C(F)(F)F)CN1Cc2ccc(C(=O)[O-])cc2C1=O ZINC001598529410 992760295 /nfs/dbraw/zinc/76/02/95/992760295.db2.gz IJMALASGONMKNS-UHFFFAOYSA-N 0 2 378.350 3.449 20 0 GGADLN C[N@H+](Cc1ccccc1C(F)(F)F)CN1Cc2ccc(C(=O)[O-])cc2C1=O ZINC001598529410 992760298 /nfs/dbraw/zinc/76/02/98/992760298.db2.gz IJMALASGONMKNS-UHFFFAOYSA-N 0 2 378.350 3.449 20 0 GGADLN C[N@@H+](Cc1nc(C(=O)[O-])cs1)C[C@H](O)COc1cc(Cl)cc(Cl)c1 ZINC001598536906 992851104 /nfs/dbraw/zinc/85/11/04/992851104.db2.gz RRPRWZJXHJHUNN-NSHDSACASA-N 0 2 391.276 3.020 20 0 GGADLN C[N@H+](Cc1nc(C(=O)[O-])cs1)C[C@H](O)COc1cc(Cl)cc(Cl)c1 ZINC001598536906 992851108 /nfs/dbraw/zinc/85/11/08/992851108.db2.gz RRPRWZJXHJHUNN-NSHDSACASA-N 0 2 391.276 3.020 20 0 GGADLN CN(C(=O)[C@H]1CC[C@@H](Nc2cccc[nH+]2)CC1)c1ccc(OCC(=O)[O-])cc1 ZINC001598543891 992924533 /nfs/dbraw/zinc/92/45/33/992924533.db2.gz QGVQYAHVYZSVOE-IYBDPMFKSA-N 0 2 383.448 3.179 20 0 GGADLN C[N@@H+]1CC[C@@H](NC(=O)Nc2ccc(F)c(C(=O)[O-])c2)[C@H]1c1ccc(F)c(F)c1 ZINC001598584832 993366491 /nfs/dbraw/zinc/36/64/91/993366491.db2.gz AATQCMMFXIHWDI-IAGOWNOFSA-N 0 2 393.365 3.369 20 0 GGADLN C[N@H+]1CC[C@@H](NC(=O)Nc2ccc(F)c(C(=O)[O-])c2)[C@H]1c1ccc(F)c(F)c1 ZINC001598584832 993366496 /nfs/dbraw/zinc/36/64/96/993366496.db2.gz AATQCMMFXIHWDI-IAGOWNOFSA-N 0 2 393.365 3.369 20 0 GGADLN C[N@@H+]1CC[C@H](NC(=O)C23CCC(C(=O)[O-])(CC2)CC3)[C@@H]1c1ccc(F)c(F)c1 ZINC001598586162 993385909 /nfs/dbraw/zinc/38/59/09/993385909.db2.gz PPTPFRIGMDZHFP-AMZMEHNNSA-N 0 2 392.446 3.251 20 0 GGADLN C[N@H+]1CC[C@H](NC(=O)C23CCC(C(=O)[O-])(CC2)CC3)[C@@H]1c1ccc(F)c(F)c1 ZINC001598586162 993385913 /nfs/dbraw/zinc/38/59/13/993385913.db2.gz PPTPFRIGMDZHFP-AMZMEHNNSA-N 0 2 392.446 3.251 20 0 GGADLN C[N@@H+]1CC[C@H](NC(=O)c2ccc(C(=O)[O-])cc2F)[C@H]1c1ccc(Cl)c(F)c1 ZINC001598587082 993399575 /nfs/dbraw/zinc/39/95/75/993399575.db2.gz RRROEPLMUMKCCA-DLBZAZTESA-N 0 2 394.805 3.492 20 0 GGADLN C[N@H+]1CC[C@H](NC(=O)c2ccc(C(=O)[O-])cc2F)[C@H]1c1ccc(Cl)c(F)c1 ZINC001598587082 993399581 /nfs/dbraw/zinc/39/95/81/993399581.db2.gz RRROEPLMUMKCCA-DLBZAZTESA-N 0 2 394.805 3.492 20 0 GGADLN COc1ccc(NC(=O)C[NH2+][C@H](C(=O)[O-])c2cc(C)cc(C)c2)cc1Cl ZINC001599592778 993708471 /nfs/dbraw/zinc/70/84/71/993708471.db2.gz QXLZFJVWXWDAGA-SFHVURJKSA-N 0 2 376.840 3.319 20 0 GGADLN C[C@@H](NC(=O)NCCc1ccc(C(=O)[O-])cc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC001593094102 993711898 /nfs/dbraw/zinc/71/18/98/993711898.db2.gz GYCWUMHQQVQMOC-OAHLLOKOSA-N 0 2 378.432 3.173 20 0 GGADLN COc1ccc(OC)c(NC(=O)C[NH2+][C@H](C(=O)[O-])c2cccc3ccccc32)c1 ZINC001599604035 993858202 /nfs/dbraw/zinc/85/82/02/993858202.db2.gz AKHAPNIGJGKQGO-NRFANRHFSA-N 0 2 394.427 3.211 20 0 GGADLN C[C@@](NC(=O)c1cccc2[nH+]ccn21)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001593176098 994052559 /nfs/dbraw/zinc/05/25/59/994052559.db2.gz KMRTVELRZDZEDI-KRWDZBQOSA-N 0 2 378.215 3.371 20 0 GGADLN C[N@@H+]1CCc2c(cccc2S(=O)(=O)Oc2cc3ccccc3cc2C(=O)[O-])C1 ZINC001598627193 994116662 /nfs/dbraw/zinc/11/66/62/994116662.db2.gz HGQKLOLVOODFIM-UHFFFAOYSA-N 0 2 397.452 3.294 20 0 GGADLN C[N@H+]1CCc2c(cccc2S(=O)(=O)Oc2cc3ccccc3cc2C(=O)[O-])C1 ZINC001598627193 994116667 /nfs/dbraw/zinc/11/66/67/994116667.db2.gz HGQKLOLVOODFIM-UHFFFAOYSA-N 0 2 397.452 3.294 20 0 GGADLN COc1ccc2c(c1)C1(CC1)C[N@H+]([C@H](C)C(=O)c1[nH]c(C)c(C(=O)[O-])c1C)C2 ZINC001599625590 994144057 /nfs/dbraw/zinc/14/40/57/994144057.db2.gz UFDRLTYVLPNILL-CQSZACIVSA-N 0 2 382.460 3.457 20 0 GGADLN COc1ccc2c(c1)C1(CC1)C[N@@H+]([C@H](C)C(=O)c1[nH]c(C)c(C(=O)[O-])c1C)C2 ZINC001599625590 994144062 /nfs/dbraw/zinc/14/40/62/994144062.db2.gz UFDRLTYVLPNILL-CQSZACIVSA-N 0 2 382.460 3.457 20 0 GGADLN C[C@@H]([NH2+][C@H](C)c1ncc(C(=O)[O-])s1)C(=O)Nc1nc2ccccc2s1 ZINC001593203246 994185078 /nfs/dbraw/zinc/18/50/78/994185078.db2.gz CLGLSMVINLQURS-RKDXNWHRSA-N 0 2 376.463 3.129 20 0 GGADLN C[C@H]([NH2+][C@@H](C)c1ncc(C(=O)[O-])s1)C(=O)Nc1nc2ccccc2s1 ZINC001593203245 994185091 /nfs/dbraw/zinc/18/50/91/994185091.db2.gz CLGLSMVINLQURS-IUCAKERBSA-N 0 2 376.463 3.129 20 0 GGADLN C[C@H]([NH2+][C@@H](C)c1ncc(C(=O)[O-])s1)C(=O)N1CCSc2ccccc21 ZINC001593203693 994189626 /nfs/dbraw/zinc/18/96/26/994189626.db2.gz GLNGZMDKAZPCML-QWRGUYRKSA-N 0 2 377.491 3.019 20 0 GGADLN C[C@@H](NC(=O)[C@H](C)[NH2+][C@@H](C)c1ncc(C(=O)[O-])s1)c1ccc(Cl)cc1 ZINC001593203798 994190849 /nfs/dbraw/zinc/19/08/49/994190849.db2.gz HVOWSMDHHCHFNC-VWYCJHECSA-N 0 2 381.885 3.411 20 0 GGADLN C[C@@H]([NH2+][C@@H](C)c1ncc(C(=O)[O-])s1)C(=O)Nc1nc2ccc(F)cc2s1 ZINC001593204273 994199643 /nfs/dbraw/zinc/19/96/43/994199643.db2.gz OWETYBQSSMJZSC-SFYZADRCSA-N 0 2 394.453 3.268 20 0 GGADLN CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)[NH2+][C@H](C)c1ncc(C(=O)[O-])s1 ZINC001593204448 994202991 /nfs/dbraw/zinc/20/29/91/994202991.db2.gz RSASCVUNJSFAAT-ZIAGYGMSSA-N 0 2 375.494 3.318 20 0 GGADLN C[C@H]([NH2+][C@@H](C)c1ccc(NC(=O)c2ccncc2)cc1)c1nc(C(=O)[O-])co1 ZINC001593204898 994209584 /nfs/dbraw/zinc/20/95/84/994209584.db2.gz XDLMSCWWSWDPKJ-STQMWFEESA-N 0 2 380.404 3.432 20 0 GGADLN C[C@@H]([NH2+][C@@H](C)c1ccc(NC(=O)c2ccncc2)cc1)c1nc(C(=O)[O-])co1 ZINC001593204897 994210306 /nfs/dbraw/zinc/21/03/06/994210306.db2.gz XDLMSCWWSWDPKJ-QWHCGFSZSA-N 0 2 380.404 3.432 20 0 GGADLN C[C@H]([NH2+][C@H](CO)c1ccc(Br)c(F)c1)c1ncc(C(=O)[O-])s1 ZINC001593210402 994248568 /nfs/dbraw/zinc/24/85/68/994248568.db2.gz QOFQIXMWLHNFFI-WRWORJQWSA-N 0 2 389.246 3.127 20 0 GGADLN C[C@H]([NH2+][C@H](c1cnn(C)c1)c1ccc(F)cc1)c1ccccc1OCC(=O)[O-] ZINC001593210806 994254338 /nfs/dbraw/zinc/25/43/38/994254338.db2.gz SLSQLOWXUFYCPT-QKKBWIMNSA-N 0 2 383.423 3.463 20 0 GGADLN CNC(=O)C[N@H+](Cc1ccc(-c2ccccc2C(=O)[O-])o1)Cc1ccccc1 ZINC001598642512 994336017 /nfs/dbraw/zinc/33/60/17/994336017.db2.gz KKQXCYNDMZYREK-UHFFFAOYSA-N 0 2 378.428 3.393 20 0 GGADLN CNC(=O)C[N@@H+](Cc1ccc(-c2ccccc2C(=O)[O-])o1)Cc1ccccc1 ZINC001598642512 994336022 /nfs/dbraw/zinc/33/60/22/994336022.db2.gz KKQXCYNDMZYREK-UHFFFAOYSA-N 0 2 378.428 3.393 20 0 GGADLN C[C@@]([NH2+]CC(=O)N1CCc2ccccc21)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001593229940 994354979 /nfs/dbraw/zinc/35/49/79/994354979.db2.gz DGUCEMRKNMFZOJ-IBGZPJMESA-N 0 2 393.270 3.472 20 0 GGADLN C[C@@H]([NH2+]CC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-])c1c(F)cccc1Cl ZINC001593230144 994358532 /nfs/dbraw/zinc/35/85/32/994358532.db2.gz GOUCTPBRQZHCOQ-PXAZEXFGSA-N 0 2 390.842 3.168 20 0 GGADLN C[C@@H]([NH2+]CC(=O)N(C)[C@H](C)c1ccc(Cl)cc1)c1ncc(C(=O)[O-])s1 ZINC001593231266 994372430 /nfs/dbraw/zinc/37/24/30/994372430.db2.gz OLAYBDJTRGFKSF-GHMZBOCLSA-N 0 2 381.885 3.365 20 0 GGADLN C[C@@H]([NH2+]CC(=O)NCCc1ccc(C(C)(C)C)cc1)c1ncc(C(=O)[O-])s1 ZINC001593236779 994409211 /nfs/dbraw/zinc/40/92/11/994409211.db2.gz JCMIQUCMHIMKGB-CYBMUJFWSA-N 0 2 389.521 3.148 20 0 GGADLN C[C@]([NH2+]CC(=O)Nc1ccc(C(F)(F)F)cc1)(C(=O)[O-])c1ccc(F)cc1 ZINC001593236794 994409407 /nfs/dbraw/zinc/40/94/07/994409407.db2.gz JLJVQXRXFTZGMT-QGZVFWFLSA-N 0 2 384.329 3.373 20 0 GGADLN C[C@]([NH2+]CC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2)(C(=O)[O-])c1ccccc1 ZINC001593237629 994414796 /nfs/dbraw/zinc/41/47/96/994414796.db2.gz RTCTUFNKOHIIQW-OAQYLSRUSA-N 0 2 396.443 3.256 20 0 GGADLN C[C@@]([NH2+]CC(=O)NCc1ccccc1F)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001593237865 994415831 /nfs/dbraw/zinc/41/58/31/994415831.db2.gz UJNPTAXFZMAIAG-SFHVURJKSA-N 0 2 399.249 3.338 20 0 GGADLN C[C@]([NH2+]CC(=O)NCc1ccccc1F)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001593237863 994415960 /nfs/dbraw/zinc/41/59/60/994415960.db2.gz UJNPTAXFZMAIAG-GOSISDBHSA-N 0 2 399.249 3.338 20 0 GGADLN COc1cccc([C@@](C)(CC(=O)[O-])[NH2+]Cc2nc(-c3ccc(F)cc3)no2)c1 ZINC001599654902 994562792 /nfs/dbraw/zinc/56/27/92/994562792.db2.gz BSFVIHHMNFAJBO-HXUWFJFHSA-N 0 2 385.395 3.364 20 0 GGADLN COc1cccc([C@H](C)N2CC[NH+](Cc3ccccc3O[C@H](C)C(=O)[O-])CC2)c1 ZINC001599655425 994571517 /nfs/dbraw/zinc/57/15/17/994571517.db2.gz QMEZSDWKWWUHTG-ZWKOTPCHSA-N 0 2 398.503 3.426 20 0 GGADLN C[C@H]([NH2+]Cc1cc(NC(=O)OC(C)(C)C)ccn1)c1ncc(C(=O)[O-])s1 ZINC001593292807 994679812 /nfs/dbraw/zinc/67/98/12/994679812.db2.gz ORFMDXQTCBSHBJ-JTQLQIEISA-N 0 2 378.454 3.434 20 0 GGADLN C[C@@H]([NH2+]Cc1ccc(C(=O)[O-])cc1Br)c1nnc2ccccn21 ZINC001593297645 994705614 /nfs/dbraw/zinc/70/56/14/994705614.db2.gz XKTHDTGUBGSPOB-SNVBAGLBSA-N 0 2 375.226 3.041 20 0 GGADLN COC(=O)[C@H](c1cccc(C(=O)[O-])c1)[N@@H+]1CCC[C@@H](c2cc(C(C)C)n[nH]2)C1 ZINC001598713928 995381459 /nfs/dbraw/zinc/38/14/59/995381459.db2.gz SVGJYCSMXWRXRD-APWZRJJASA-N 0 2 385.464 3.325 20 0 GGADLN COC(=O)[C@H](c1cccc(C(=O)[O-])c1)[N@H+]1CCC[C@@H](c2cc(C(C)C)n[nH]2)C1 ZINC001598713928 995381468 /nfs/dbraw/zinc/38/14/68/995381468.db2.gz SVGJYCSMXWRXRD-APWZRJJASA-N 0 2 385.464 3.325 20 0 GGADLN COC(=O)[C@H](c1cccc(C(=O)[O-])c1)[N@@H+]1CCC[C@@H](c2cc(C(C)C)[nH]n2)C1 ZINC001598713928 995381473 /nfs/dbraw/zinc/38/14/73/995381473.db2.gz SVGJYCSMXWRXRD-APWZRJJASA-N 0 2 385.464 3.325 20 0 GGADLN COC(=O)[C@H](c1cccc(C(=O)[O-])c1)[N@H+]1CCC[C@@H](c2cc(C(C)C)[nH]n2)C1 ZINC001598713928 995381479 /nfs/dbraw/zinc/38/14/79/995381479.db2.gz SVGJYCSMXWRXRD-APWZRJJASA-N 0 2 385.464 3.325 20 0 GGADLN COC(=O)[C@H]1C[C@@H](C(=O)[O-])CC[N@@H+]1Cc1cnc(-c2ccc(Cl)cc2)s1 ZINC001598759177 995756618 /nfs/dbraw/zinc/75/66/18/995756618.db2.gz MMZMDRJPXSSVSO-SWLSCSKDSA-N 0 2 394.880 3.302 20 0 GGADLN COC(=O)[C@H]1C[C@@H](C(=O)[O-])CC[N@H+]1Cc1cnc(-c2ccc(Cl)cc2)s1 ZINC001598759177 995756624 /nfs/dbraw/zinc/75/66/24/995756624.db2.gz MMZMDRJPXSSVSO-SWLSCSKDSA-N 0 2 394.880 3.302 20 0 GGADLN COC(=O)[C@@H]1C[C@H](C(=O)[O-])CC[N@@H+]1Cc1ccc(F)c(-c2cccs2)c1 ZINC001598760950 995776712 /nfs/dbraw/zinc/77/67/12/995776712.db2.gz QOJKKMONODRBMP-CJNGLKHVSA-N 0 2 377.437 3.392 20 0 GGADLN COC(=O)[C@@H]1C[C@H](C(=O)[O-])CC[N@H+]1Cc1ccc(F)c(-c2cccs2)c1 ZINC001598760950 995776714 /nfs/dbraw/zinc/77/67/14/995776714.db2.gz QOJKKMONODRBMP-CJNGLKHVSA-N 0 2 377.437 3.392 20 0 GGADLN COC(=O)[C@H]1C[C@H](C(=O)[O-])CC[N@@H+]1Cc1ccc(F)c(-c2cccs2)c1 ZINC001598760951 995776840 /nfs/dbraw/zinc/77/68/40/995776840.db2.gz QOJKKMONODRBMP-CZUORRHYSA-N 0 2 377.437 3.392 20 0 GGADLN COC(=O)[C@H]1C[C@H](C(=O)[O-])CC[N@H+]1Cc1ccc(F)c(-c2cccs2)c1 ZINC001598760951 995776845 /nfs/dbraw/zinc/77/68/45/995776845.db2.gz QOJKKMONODRBMP-CZUORRHYSA-N 0 2 377.437 3.392 20 0 GGADLN COC(=O)[C@H]1C[C@@H](C(=O)[O-])CC[N@@H+]1Cc1ccc(-c2ccc(Cl)cc2)o1 ZINC001598761383 995780713 /nfs/dbraw/zinc/78/07/13/995780713.db2.gz RNYOKFHSZWCHDP-XJKSGUPXSA-N 0 2 377.824 3.438 20 0 GGADLN COC(=O)[C@H]1C[C@@H](C(=O)[O-])CC[N@H+]1Cc1ccc(-c2ccc(Cl)cc2)o1 ZINC001598761383 995780719 /nfs/dbraw/zinc/78/07/19/995780719.db2.gz RNYOKFHSZWCHDP-XJKSGUPXSA-N 0 2 377.824 3.438 20 0 GGADLN C[C@@H](Oc1ccc(C[NH+]2CCN(c3c(F)cccc3F)CC2)cc1)C(=O)[O-] ZINC001593614543 995824683 /nfs/dbraw/zinc/82/46/83/995824683.db2.gz BUNWCTZLPGEUHO-CQSZACIVSA-N 0 2 376.403 3.139 20 0 GGADLN COC(=O)[C@H]1CC[C@H](C(=O)[O-])C[N@@H+]1Cc1ccccc1OCc1ccccc1 ZINC001598776269 995932661 /nfs/dbraw/zinc/93/26/61/995932661.db2.gz JILCVNUUYATUKA-RBUKOAKNSA-N 0 2 383.444 3.104 20 0 GGADLN COC(=O)[C@H]1CC[C@H](C(=O)[O-])C[N@H+]1Cc1ccccc1OCc1ccccc1 ZINC001598776269 995932667 /nfs/dbraw/zinc/93/26/67/995932667.db2.gz JILCVNUUYATUKA-RBUKOAKNSA-N 0 2 383.444 3.104 20 0 GGADLN C[C@@H](Oc1ccccc1C[NH+]1CCN(c2cc(F)ccc2F)CC1)C(=O)[O-] ZINC001593646425 995984420 /nfs/dbraw/zinc/98/44/20/995984420.db2.gz REFDVRMFTOXPBB-CQSZACIVSA-N 0 2 376.403 3.139 20 0 GGADLN COC(=O)[C@H]1CC[C@H](C(=O)[O-])[N@H+](Cc2nc3ccccc3c(C)c2Cl)C1 ZINC001598783412 996007811 /nfs/dbraw/zinc/00/78/11/996007811.db2.gz CSQCKIHDQAXTJM-BLLLJJGKSA-N 0 2 376.840 3.035 20 0 GGADLN COC(=O)[C@H]1CC[C@H](C(=O)[O-])[N@@H+](Cc2nc3ccccc3c(C)c2Cl)C1 ZINC001598783412 996007813 /nfs/dbraw/zinc/00/78/13/996007813.db2.gz CSQCKIHDQAXTJM-BLLLJJGKSA-N 0 2 376.840 3.035 20 0 GGADLN C[C@H](Sc1ccccc1C(=O)N1CCC(Nc2cccc[nH+]2)CC1)C(=O)[O-] ZINC001593667161 996056278 /nfs/dbraw/zinc/05/62/78/996056278.db2.gz BRLFRBGRCMGXKY-AWEZNQCLSA-N 0 2 385.489 3.364 20 0 GGADLN C[C@@H](c1ccc(Br)cc1)N1CC[NH+](Cc2oncc2C(=O)[O-])CC1 ZINC001593686439 996123461 /nfs/dbraw/zinc/12/34/61/996123461.db2.gz PEZBTUGHQZEQLW-LBPRGKRZSA-N 0 2 394.269 3.014 20 0 GGADLN COC(=O)[C@H]1CC[N@H+](Cc2ccc(-c3ccc(Cl)cc3)o2)[C@@H](C(=O)[O-])C1 ZINC001598802348 996150058 /nfs/dbraw/zinc/15/00/58/996150058.db2.gz XEGGGSMYPFJOTG-XJKSGUPXSA-N 0 2 377.824 3.438 20 0 GGADLN COC(=O)[C@H]1CC[N@@H+](Cc2ccc(-c3ccc(Cl)cc3)o2)[C@@H](C(=O)[O-])C1 ZINC001598802348 996150059 /nfs/dbraw/zinc/15/00/59/996150059.db2.gz XEGGGSMYPFJOTG-XJKSGUPXSA-N 0 2 377.824 3.438 20 0 GGADLN C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+]1CCC[C@H](c2ncc(C(=O)[O-])s2)C1 ZINC001593700041 996174152 /nfs/dbraw/zinc/17/41/52/996174152.db2.gz SXFUJZOQPRFLTA-OCCSQVGLSA-N 0 2 394.518 3.185 20 0 GGADLN C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@H+]1CCC[C@H](c2ncc(C(=O)[O-])s2)C1 ZINC001593700041 996174154 /nfs/dbraw/zinc/17/41/54/996174154.db2.gz SXFUJZOQPRFLTA-OCCSQVGLSA-N 0 2 394.518 3.185 20 0 GGADLN C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+]1CCC[C@@H](c2ncc(C(=O)[O-])s2)C1 ZINC001593700042 996174219 /nfs/dbraw/zinc/17/42/19/996174219.db2.gz SXFUJZOQPRFLTA-TZMCWYRMSA-N 0 2 394.518 3.185 20 0 GGADLN C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@H+]1CCC[C@@H](c2ncc(C(=O)[O-])s2)C1 ZINC001593700042 996174222 /nfs/dbraw/zinc/17/42/22/996174222.db2.gz SXFUJZOQPRFLTA-TZMCWYRMSA-N 0 2 394.518 3.185 20 0 GGADLN C[C@H](c1cccc(NC(=O)NCc2ccc(C(=O)[O-])s2)c1)[NH+]1CCOCC1 ZINC001593703384 996179653 /nfs/dbraw/zinc/17/96/53/996179653.db2.gz OQGPUNSDNLWOEM-CYBMUJFWSA-N 0 2 389.477 3.161 20 0 GGADLN C[C@H](c1cccc(NC(=O)N[C@H](CC(=O)[O-])C(C)(C)C)c1)[NH+]1CCOCC1 ZINC001593703734 996181442 /nfs/dbraw/zinc/18/14/42/996181442.db2.gz UBBQDLZJHQJEAF-RHSMWYFYSA-N 0 2 377.485 3.091 20 0 GGADLN C[C@@H](c1ccsc1)[NH+]1CCN(CC(=O)c2c[nH]c3ccc(C(=O)[O-])cc23)CC1 ZINC001593724743 996269065 /nfs/dbraw/zinc/26/90/65/996269065.db2.gz MJJREPPELGRTQD-AWEZNQCLSA-N 0 2 397.500 3.489 20 0 GGADLN C[C@H](c1nc(C(=O)[O-])co1)[N@H+](C)C[C@H](O)COc1cc(Cl)cc(Cl)c1 ZINC001593725891 996283626 /nfs/dbraw/zinc/28/36/26/996283626.db2.gz VUGKUXSUFOYAPR-SKDRFNHKSA-N 0 2 389.235 3.112 20 0 GGADLN C[C@H](c1nc(C(=O)[O-])co1)[N@@H+](C)C[C@H](O)COc1cc(Cl)cc(Cl)c1 ZINC001593725891 996283635 /nfs/dbraw/zinc/28/36/35/996283635.db2.gz VUGKUXSUFOYAPR-SKDRFNHKSA-N 0 2 389.235 3.112 20 0 GGADLN C[C@@H](c1ncc(C(=O)[O-])s1)[N@@H+]1CCC[C@H]1COC(=O)NC1CCCCC1 ZINC001593731165 996299893 /nfs/dbraw/zinc/29/98/93/996299893.db2.gz CIWSSJJODIDDCU-JSGCOSHPSA-N 0 2 381.498 3.426 20 0 GGADLN C[C@@H](c1ncc(C(=O)[O-])s1)[N@H+]1CCC[C@H]1COC(=O)NC1CCCCC1 ZINC001593731165 996299897 /nfs/dbraw/zinc/29/98/97/996299897.db2.gz CIWSSJJODIDDCU-JSGCOSHPSA-N 0 2 381.498 3.426 20 0 GGADLN C[C@H](c1ncc(C(=O)[O-])s1)[N@@H+]1CC[C@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC001593731511 996303313 /nfs/dbraw/zinc/30/33/13/996303313.db2.gz GHOSTJXPGWQEPK-XIKOKIGWSA-N 0 2 381.498 3.378 20 0 GGADLN C[C@H](c1ncc(C(=O)[O-])s1)[N@H+]1CC[C@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC001593731511 996303318 /nfs/dbraw/zinc/30/33/18/996303318.db2.gz GHOSTJXPGWQEPK-XIKOKIGWSA-N 0 2 381.498 3.378 20 0 GGADLN C[C@@H](c1ncc(C(=O)[O-])s1)N1CCc2c([nH+]cn2CCc2ccccc2)C1 ZINC001593737437 996335638 /nfs/dbraw/zinc/33/56/38/996335638.db2.gz NXRPOZBZMIMHHC-AWEZNQCLSA-N 0 2 382.489 3.400 20 0 GGADLN C[C@]1(C(=O)[O-])CCCN(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)C1 ZINC001593771330 996464239 /nfs/dbraw/zinc/46/42/39/996464239.db2.gz OOSWWDFIBIYPBM-NRFANRHFSA-N 0 2 380.448 3.320 20 0 GGADLN COC(=O)C[C@](C)([NH2+]Cc1coc(-c2ccc(C(=O)[O-])cc2)n1)c1ccncc1 ZINC001598834491 996470899 /nfs/dbraw/zinc/47/08/99/996470899.db2.gz ZTOPNACWPLQUTB-NRFANRHFSA-N 0 2 395.415 3.003 20 0 GGADLN COc1ccc(C(=O)[O-])c(NC(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)c1 ZINC001599489134 996907799 /nfs/dbraw/zinc/90/77/99/996907799.db2.gz GZJBQAJFYLGPTF-CYBMUJFWSA-N 0 2 389.477 3.366 20 0 GGADLN CO[C@]1(C(F)(F)F)CCC[N@H+](Cc2oc(Br)cc2C(=O)[O-])C1 ZINC001599083405 997048119 /nfs/dbraw/zinc/04/81/19/997048119.db2.gz INLCIYMPTXBLPY-GFCCVEGCSA-N 0 2 386.164 3.284 20 0 GGADLN CO[C@]1(C(F)(F)F)CCC[N@@H+](Cc2oc(Br)cc2C(=O)[O-])C1 ZINC001599083405 997048131 /nfs/dbraw/zinc/04/81/31/997048131.db2.gz INLCIYMPTXBLPY-GFCCVEGCSA-N 0 2 386.164 3.284 20 0 GGADLN CO[C@@]1(C(F)(F)F)CCC[N@H+](Cc2oc(Br)cc2C(=O)[O-])C1 ZINC001599083406 997048549 /nfs/dbraw/zinc/04/85/49/997048549.db2.gz INLCIYMPTXBLPY-LBPRGKRZSA-N 0 2 386.164 3.284 20 0 GGADLN CO[C@@]1(C(F)(F)F)CCC[N@@H+](Cc2oc(Br)cc2C(=O)[O-])C1 ZINC001599083406 997048562 /nfs/dbraw/zinc/04/85/62/997048562.db2.gz INLCIYMPTXBLPY-LBPRGKRZSA-N 0 2 386.164 3.284 20 0 GGADLN COC[C@]1(C(=O)[O-])CCCC[N@@H+]1CC(=O)Nc1ccc(-c2ccccc2)cc1 ZINC001599188031 997066192 /nfs/dbraw/zinc/06/61/92/997066192.db2.gz LCDWMODGFXJKPQ-QFIPXVFZSA-N 0 2 382.460 3.248 20 0 GGADLN COC[C@]1(C(=O)[O-])CCCC[N@H+]1CC(=O)Nc1ccc(-c2ccccc2)cc1 ZINC001599188031 997066203 /nfs/dbraw/zinc/06/62/03/997066203.db2.gz LCDWMODGFXJKPQ-QFIPXVFZSA-N 0 2 382.460 3.248 20 0 GGADLN CO[C@@]1(C(F)(F)F)CCC[N@@H+]([C@@H](C)C(=O)Nc2cc(C(=O)[O-])ccc2C)C1 ZINC001599084372 997069402 /nfs/dbraw/zinc/06/94/02/997069402.db2.gz SZHMLRBFQJNUSD-SJCJKPOMSA-N 0 2 388.386 3.064 20 0 GGADLN CO[C@@]1(C(F)(F)F)CCC[N@H+]([C@@H](C)C(=O)Nc2cc(C(=O)[O-])ccc2C)C1 ZINC001599084372 997069409 /nfs/dbraw/zinc/06/94/09/997069409.db2.gz SZHMLRBFQJNUSD-SJCJKPOMSA-N 0 2 388.386 3.064 20 0 GGADLN CO[C@@]1(C(F)(F)F)CCC[N@@H+]([C@H](C)C(=O)Nc2cc(C(=O)[O-])ccc2C)C1 ZINC001599084371 997069629 /nfs/dbraw/zinc/06/96/29/997069629.db2.gz SZHMLRBFQJNUSD-PXAZEXFGSA-N 0 2 388.386 3.064 20 0 GGADLN CO[C@@]1(C(F)(F)F)CCC[N@H+]([C@H](C)C(=O)Nc2cc(C(=O)[O-])ccc2C)C1 ZINC001599084371 997069640 /nfs/dbraw/zinc/06/96/40/997069640.db2.gz SZHMLRBFQJNUSD-PXAZEXFGSA-N 0 2 388.386 3.064 20 0 GGADLN COc1ccc(C(=O)[O-])cc1C[NH2+][C@H](CCSC)c1nnc2ccccn21 ZINC001599500740 997113301 /nfs/dbraw/zinc/11/33/01/997113301.db2.gz JYQFHWWWCWZJRG-OAHLLOKOSA-N 0 2 386.477 3.020 20 0 GGADLN COc1cc(/C=C/C(=O)[O-])ccc1OC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC001599396020 997127350 /nfs/dbraw/zinc/12/73/50/997127350.db2.gz GJTWNYUJPUTUJV-CSKARUKUSA-N 0 2 392.411 3.186 20 0 GGADLN COc1cc(/C=C/C(=O)[O-])ccc1OC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC001599398501 997172350 /nfs/dbraw/zinc/17/23/50/997172350.db2.gz KWEAGMRBVHDSQS-SOFGYWHQSA-N 0 2 378.384 3.257 20 0 GGADLN COC(=O)c1c(C)[nH]c(C(=O)C[NH2+][C@]2(C(=O)[O-])CC[C@@H](C)c3ccccc32)c1C ZINC001598912212 997390844 /nfs/dbraw/zinc/39/08/44/997390844.db2.gz IADCVPSOMITMRH-VERVWZFWSA-N 0 2 398.459 3.068 20 0 GGADLN COC(=O)c1c(C)[nH]c(C(=O)C[NH2+][C@@]2(C(=O)[O-])CC[C@@H](C)c3ccccc32)c1C ZINC001598912211 997390953 /nfs/dbraw/zinc/39/09/53/997390953.db2.gz IADCVPSOMITMRH-IPQOISQHSA-N 0 2 398.459 3.068 20 0 GGADLN COC(=O)c1c(C)c(C(=O)[O-])sc1NC(=O)C[N@H+](C)[C@H](C)c1cccs1 ZINC001598914562 997434435 /nfs/dbraw/zinc/43/44/35/997434435.db2.gz WXLCKKVIIABDLR-SNVBAGLBSA-N 0 2 396.490 3.234 20 0 GGADLN COC(=O)c1c(C)c(C(=O)[O-])sc1NC(=O)C[N@@H+](C)[C@H](C)c1cccs1 ZINC001598914562 997434438 /nfs/dbraw/zinc/43/44/38/997434438.db2.gz WXLCKKVIIABDLR-SNVBAGLBSA-N 0 2 396.490 3.234 20 0 GGADLN COc1ccc([C@@H](NC(=O)C[NH2+][C@](C)(C(=O)[O-])c2ccccc2)C(C)C)cc1 ZINC001599518774 997440358 /nfs/dbraw/zinc/44/03/58/997440358.db2.gz AUCNVIWNQZFYAG-UNMCSNQZSA-N 0 2 384.476 3.098 20 0 GGADLN COc1ccc([C@@H](NC(=O)Cc2ccc(-n3cc[nH+]c3)cc2)C(=O)[O-])cc1Cl ZINC001599520115 997464000 /nfs/dbraw/zinc/46/40/00/997464000.db2.gz UJJPUGCFHBWLMC-LJQANCHMSA-N 0 2 399.834 3.019 20 0 GGADLN COc1ccc([C@@H]([NH2+]CC(=O)N(C)CC2CCCCC2)C(=O)[O-])cc1Cl ZINC001599526931 997576824 /nfs/dbraw/zinc/57/68/24/997576824.db2.gz KSYWTNWUSNNOPX-GOSISDBHSA-N 0 2 382.888 3.103 20 0 GGADLN CO[C@@H]1CCC[C@H]([C@@H]([NH2+]Cc2nnc(-c3cccc(Cl)c3)o2)C(=O)[O-])C1 ZINC001599111670 997580227 /nfs/dbraw/zinc/58/02/27/997580227.db2.gz HPEROZWHNQSNJM-SGIREYDYSA-N 0 2 379.844 3.138 20 0 GGADLN COc1ccc([C@@H]([NH2+]CC(=O)Nc2ccc(C)c(C)c2)C(=O)[O-])cc1Cl ZINC001599528694 997609422 /nfs/dbraw/zinc/60/94/22/997609422.db2.gz WLUBDSZZQDEUKY-GOSISDBHSA-N 0 2 376.840 3.319 20 0 GGADLN COc1ccc([C@H]([NH2+]CC(=O)Nc2ccc(C)c(C)c2)C(=O)[O-])cc1Cl ZINC001599528695 997609482 /nfs/dbraw/zinc/60/94/82/997609482.db2.gz WLUBDSZZQDEUKY-SFHVURJKSA-N 0 2 376.840 3.319 20 0 GGADLN COc1ccc(C)cc1NC(=O)C[NH2+][C@H](C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001599535213 997731010 /nfs/dbraw/zinc/73/10/10/997731010.db2.gz HMQSNJSVFICHKO-KRWDZBQOSA-N 0 2 396.365 3.376 20 0 GGADLN COc1ccc(C)cc1NC(=O)C[NH2+][C@]1(C(=O)[O-])CC[C@@H](C)c2ccccc21 ZINC001599535502 997736682 /nfs/dbraw/zinc/73/66/82/997736682.db2.gz VSBMKHUMPTXSFF-IVZQSRNASA-N 0 2 382.460 3.409 20 0 GGADLN C[C@@]1(NC(=O)C(F)(F)F)CC[N@H+](Cc2ccc(-c3ccccc3C(=O)[O-])o2)C1 ZINC001594053975 997779968 /nfs/dbraw/zinc/77/99/68/997779968.db2.gz YZTWGAKNUJXXOO-GOSISDBHSA-N 0 2 396.365 3.288 20 0 GGADLN C[C@@]1(NC(=O)C(F)(F)F)CC[N@@H+](Cc2ccc(-c3ccccc3C(=O)[O-])o2)C1 ZINC001594053975 997779982 /nfs/dbraw/zinc/77/99/82/997779982.db2.gz YZTWGAKNUJXXOO-GOSISDBHSA-N 0 2 396.365 3.288 20 0 GGADLN CO[C@@H]1CC[N@H+](CC(=O)N2c3ccccc3CCc3ccccc32)[C@H](C(=O)[O-])C1 ZINC001599123518 997788160 /nfs/dbraw/zinc/78/81/60/997788160.db2.gz SMJKYXURUGPMPX-NQIIRXRSSA-N 0 2 394.471 3.014 20 0 GGADLN CO[C@@H]1CC[N@@H+](CC(=O)N2c3ccccc3CCc3ccccc32)[C@H](C(=O)[O-])C1 ZINC001599123518 997788172 /nfs/dbraw/zinc/78/81/72/997788172.db2.gz SMJKYXURUGPMPX-NQIIRXRSSA-N 0 2 394.471 3.014 20 0 GGADLN COc1c(C)c[nH+]c(CNC(=O)Nc2ccc(SC)c(C(=O)[O-])c2)c1C ZINC001599334036 997800997 /nfs/dbraw/zinc/80/09/97/997800997.db2.gz UTRMKGPQKOSHRT-UHFFFAOYSA-N 0 2 375.450 3.449 20 0 GGADLN COc1ccc([C@@H]2C[N@@H+]([C@H](C)c3cc(C)c(C(=O)[O-])o3)CCO2)cc1OC ZINC001599539947 997819093 /nfs/dbraw/zinc/81/90/93/997819093.db2.gz AXONCSLSLSLRCS-ACJLOTCBSA-N 0 2 375.421 3.438 20 0 GGADLN COc1ccc([C@@H]2C[N@H+]([C@H](C)c3cc(C)c(C(=O)[O-])o3)CCO2)cc1OC ZINC001599539947 997819108 /nfs/dbraw/zinc/81/91/08/997819108.db2.gz AXONCSLSLSLRCS-ACJLOTCBSA-N 0 2 375.421 3.438 20 0 GGADLN COc1cc(NC(=O)N[C@@H](Cc2[nH+]ccn2C)c2ccccc2)ccc1C(=O)[O-] ZINC001599438698 997894791 /nfs/dbraw/zinc/89/47/91/997894791.db2.gz ZARPNMCAZILRDK-KRWDZBQOSA-N 0 2 394.431 3.232 20 0 GGADLN COCC[N@H+](CC(=O)Nc1sc(C)c(C)c1C(=O)[O-])Cc1ccccc1 ZINC001599233571 997906694 /nfs/dbraw/zinc/90/66/94/997906694.db2.gz SECKTEQHUWXJGH-UHFFFAOYSA-N 0 2 376.478 3.150 20 0 GGADLN COCC[N@@H+](CC(=O)Nc1sc(C)c(C)c1C(=O)[O-])Cc1ccccc1 ZINC001599233571 997906704 /nfs/dbraw/zinc/90/67/04/997906704.db2.gz SECKTEQHUWXJGH-UHFFFAOYSA-N 0 2 376.478 3.150 20 0 GGADLN CO[C@H]1C[N@H+](Cc2coc(-c3ccc(C(F)(F)F)cc3)n2)[C@@](C)(C(=O)[O-])C1 ZINC001599130898 997941903 /nfs/dbraw/zinc/94/19/03/997941903.db2.gz AVWKQQPTOTUWPG-RHSMWYFYSA-N 0 2 384.354 3.424 20 0 GGADLN CO[C@H]1C[N@@H+](Cc2coc(-c3ccc(C(F)(F)F)cc3)n2)[C@@](C)(C(=O)[O-])C1 ZINC001599130898 997941919 /nfs/dbraw/zinc/94/19/19/997941919.db2.gz AVWKQQPTOTUWPG-RHSMWYFYSA-N 0 2 384.354 3.424 20 0 GGADLN COc1c(N[C@@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)ncnc1C(=O)[O-] ZINC001599342744 997949028 /nfs/dbraw/zinc/94/90/28/997949028.db2.gz FRQWCFQXASMBQQ-CYBMUJFWSA-N 0 2 394.834 3.052 20 0 GGADLN COc1c(N[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)ncnc1C(=O)[O-] ZINC001599342744 997949038 /nfs/dbraw/zinc/94/90/38/997949038.db2.gz FRQWCFQXASMBQQ-CYBMUJFWSA-N 0 2 394.834 3.052 20 0 GGADLN COc1cc(-c2noc(C[N@@H+]3CCCCC[C@H]3C(=O)[O-])n2)ccc1OC(F)F ZINC001599347254 998029616 /nfs/dbraw/zinc/02/96/16/998029616.db2.gz UYFAGKYUJQSWKE-LBPRGKRZSA-N 0 2 397.378 3.176 20 0 GGADLN COc1cc(-c2noc(C[N@H+]3CCCCC[C@H]3C(=O)[O-])n2)ccc1OC(F)F ZINC001599347254 998029621 /nfs/dbraw/zinc/02/96/21/998029621.db2.gz UYFAGKYUJQSWKE-LBPRGKRZSA-N 0 2 397.378 3.176 20 0 GGADLN C[C@]12CC[N@@H+]([C@H]3CCN(c4sccc4C(=O)[O-])C3=O)C[C@H]1C2(Cl)Cl ZINC001594089607 998031099 /nfs/dbraw/zinc/03/10/99/998031099.db2.gz YDAWKFOZYQBKMJ-RWSFTLGLSA-N 0 2 389.304 3.067 20 0 GGADLN C[C@]12CC[N@H+]([C@H]3CCN(c4sccc4C(=O)[O-])C3=O)C[C@H]1C2(Cl)Cl ZINC001594089607 998031105 /nfs/dbraw/zinc/03/11/05/998031105.db2.gz YDAWKFOZYQBKMJ-RWSFTLGLSA-N 0 2 389.304 3.067 20 0 GGADLN CO[C@H]1C[N@H+](Cc2coc(-c3ccc(Br)cc3)n2)[C@](C)(C(=O)[O-])C1 ZINC001599135593 998036417 /nfs/dbraw/zinc/03/64/17/998036417.db2.gz VVFHFKJPRKYOJI-PBHICJAKSA-N 0 2 395.253 3.168 20 0 GGADLN CO[C@H]1C[N@@H+](Cc2coc(-c3ccc(Br)cc3)n2)[C@](C)(C(=O)[O-])C1 ZINC001599135593 998036427 /nfs/dbraw/zinc/03/64/27/998036427.db2.gz VVFHFKJPRKYOJI-PBHICJAKSA-N 0 2 395.253 3.168 20 0 GGADLN COc1cc(-c2noc(C[NH2+][C@@H](C)c3ccc(OCC(=O)[O-])cc3)n2)ccc1C ZINC001599348411 998050442 /nfs/dbraw/zinc/05/04/42/998050442.db2.gz FHKZGKOCUFGPOF-AWEZNQCLSA-N 0 2 397.431 3.368 20 0 GGADLN COc1cc(OC)cc([C@H](C(=O)[O-])[N@@H+]2CCc3c(ncn3-c3ccccc3)C2)c1 ZINC001599450834 998094595 /nfs/dbraw/zinc/09/45/95/998094595.db2.gz LFZFGZMFJOOPOX-OAQYLSRUSA-N 0 2 393.443 3.074 20 0 GGADLN COc1cc(OC)cc([C@H](C(=O)[O-])[N@H+]2CCc3c(ncn3-c3ccccc3)C2)c1 ZINC001599450834 998094607 /nfs/dbraw/zinc/09/46/07/998094607.db2.gz LFZFGZMFJOOPOX-OAQYLSRUSA-N 0 2 393.443 3.074 20 0 GGADLN COc1cc(OC)cc(C2(F)CC[NH+]([C@H](C)c3nc(C(=O)[O-])co3)CC2)c1 ZINC001599451588 998112181 /nfs/dbraw/zinc/11/21/81/998112181.db2.gz MAKDOBXVIIGKFG-GFCCVEGCSA-N 0 2 378.400 3.412 20 0 GGADLN COc1cc(OC)cc(C2(F)CC[NH+]([C@@H](C)c3nc(C(=O)[O-])co3)CC2)c1 ZINC001599451589 998112572 /nfs/dbraw/zinc/11/25/72/998112572.db2.gz MAKDOBXVIIGKFG-LBPRGKRZSA-N 0 2 378.400 3.412 20 0 GGADLN COc1cc(OC)cc(C2(F)CC[NH+](Cc3ncc(C(=O)[O-])s3)CC2)c1 ZINC001599452170 998122820 /nfs/dbraw/zinc/12/28/20/998122820.db2.gz XWTIQMIHGVXWOZ-UHFFFAOYSA-N 0 2 380.441 3.319 20 0 GGADLN COc1ccc(C[N@H+](C)[C@H](C)C(=O)Nc2cc(C(=O)[O-])ccc2C)c(OC)c1 ZINC001599558547 998142253 /nfs/dbraw/zinc/14/22/53/998142253.db2.gz GMTZEIUCYTXFKS-CQSZACIVSA-N 0 2 386.448 3.169 20 0 GGADLN COc1ccc(C[N@@H+](C)[C@H](C)C(=O)Nc2cc(C(=O)[O-])ccc2C)c(OC)c1 ZINC001599558547 998142258 /nfs/dbraw/zinc/14/22/58/998142258.db2.gz GMTZEIUCYTXFKS-CQSZACIVSA-N 0 2 386.448 3.169 20 0 GGADLN COc1ccc(C[N@H+](C)[C@@H](C)C(=O)Nc2cc(C(=O)[O-])ccc2C)c(OC)c1 ZINC001599558546 998142587 /nfs/dbraw/zinc/14/25/87/998142587.db2.gz GMTZEIUCYTXFKS-AWEZNQCLSA-N 0 2 386.448 3.169 20 0 GGADLN COc1ccc(C[N@@H+](C)[C@@H](C)C(=O)Nc2cc(C(=O)[O-])ccc2C)c(OC)c1 ZINC001599558546 998142604 /nfs/dbraw/zinc/14/26/04/998142604.db2.gz GMTZEIUCYTXFKS-AWEZNQCLSA-N 0 2 386.448 3.169 20 0 GGADLN COc1ccc(C[N@H+](CCO)Cc2coc(-c3ccc(C(=O)[O-])cc3)n2)cc1 ZINC001599558684 998145240 /nfs/dbraw/zinc/14/52/40/998145240.db2.gz NNJIGOUKZOZODH-UHFFFAOYSA-N 0 2 382.416 3.043 20 0 GGADLN COc1ccc(C[N@@H+](CCO)Cc2coc(-c3ccc(C(=O)[O-])cc3)n2)cc1 ZINC001599558684 998145246 /nfs/dbraw/zinc/14/52/46/998145246.db2.gz NNJIGOUKZOZODH-UHFFFAOYSA-N 0 2 382.416 3.043 20 0 GGADLN COc1ccc(C[N@@H+]2CC[C@@H]2C(=O)Nc2ccc(SC)c(C(=O)[O-])c2)cc1 ZINC001599560040 998172949 /nfs/dbraw/zinc/17/29/49/998172949.db2.gz BDKXDNNINHABRL-QGZVFWFLSA-N 0 2 386.473 3.328 20 0 GGADLN COc1ccc(C[N@H+]2CC[C@@H]2C(=O)Nc2ccc(SC)c(C(=O)[O-])c2)cc1 ZINC001599560040 998172954 /nfs/dbraw/zinc/17/29/54/998172954.db2.gz BDKXDNNINHABRL-QGZVFWFLSA-N 0 2 386.473 3.328 20 0 GGADLN COCCOc1ccc(C[NH2+]Cc2ccc(C(=O)[O-])cc2Br)o1 ZINC001599258586 998347021 /nfs/dbraw/zinc/34/70/21/998347021.db2.gz BLHVIERMPONNKU-UHFFFAOYSA-N 0 2 384.226 3.055 20 0 GGADLN COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])[N@H+](Cc1cccn1C(F)F)CC2 ZINC001599465834 998357847 /nfs/dbraw/zinc/35/78/47/998357847.db2.gz PUEKGDQMYGHGGC-OAHLLOKOSA-N 0 2 380.391 3.475 20 0 GGADLN COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])[N@@H+](Cc1cccn1C(F)F)CC2 ZINC001599465834 998357855 /nfs/dbraw/zinc/35/78/55/998357855.db2.gz PUEKGDQMYGHGGC-OAHLLOKOSA-N 0 2 380.391 3.475 20 0 GGADLN COc1cc2ccccc2cc1-c1nnc(C[NH2+][C@H](C[C@@H]2CCCO2)C(=O)[O-])o1 ZINC001599466647 998372782 /nfs/dbraw/zinc/37/27/82/998372782.db2.gz OLNPCHFMUVFPCB-DOTOQJQBSA-N 0 2 397.431 3.010 20 0 GGADLN COc1ccc(-c2csc(NC(=O)C[N@H+](C)[C@@H](CC(C)C)C(=O)[O-])n2)cc1 ZINC001599469204 998420717 /nfs/dbraw/zinc/42/07/17/998420717.db2.gz LRXDTMXZYMLACI-INIZCTEOSA-N 0 2 391.493 3.188 20 0 GGADLN COc1ccc(-c2csc(NC(=O)C[N@@H+](C)[C@@H](CC(C)C)C(=O)[O-])n2)cc1 ZINC001599469204 998420723 /nfs/dbraw/zinc/42/07/23/998420723.db2.gz LRXDTMXZYMLACI-INIZCTEOSA-N 0 2 391.493 3.188 20 0 GGADLN COc1cc(C(=O)[O-])ccc1NC(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001599372634 998434737 /nfs/dbraw/zinc/43/47/37/998434737.db2.gz NQZBFPQJXBTSTR-QGZVFWFLSA-N 0 2 380.404 3.153 20 0 GGADLN COC[C@@H](C)n1c(C)cc(C(=O)C[N@@H+]2CCc3c(cccc3C(=O)[O-])C2)c1C ZINC001599160021 998441724 /nfs/dbraw/zinc/44/17/24/998441724.db2.gz MWTLCOJWGMTKEU-OAHLLOKOSA-N 0 2 384.476 3.252 20 0 GGADLN COC[C@@H](C)n1c(C)cc(C(=O)C[N@H+]2CCc3c(cccc3C(=O)[O-])C2)c1C ZINC001599160021 998441732 /nfs/dbraw/zinc/44/17/32/998441732.db2.gz MWTLCOJWGMTKEU-OAHLLOKOSA-N 0 2 384.476 3.252 20 0 GGADLN COc1cc(C(=O)[O-])ccc1NC(=O)NCc1cc[nH+]c(N2CCCCC2)c1 ZINC001599374125 998459637 /nfs/dbraw/zinc/45/96/37/998459637.db2.gz KTJCAGSIZOQUGN-UHFFFAOYSA-N 0 2 384.436 3.100 20 0 GGADLN COc1ccc(-c2noc(C[NH2+][C@H](C)c3ccc(OCC(=O)[O-])cc3)n2)cc1 ZINC001599472585 998474627 /nfs/dbraw/zinc/47/46/27/998474627.db2.gz XDSTYXLUIDAQPC-CYBMUJFWSA-N 0 2 383.404 3.059 20 0 GGADLN COc1ccc(Cl)cc1NC(=O)[C@H](C)[NH2+][C@@H](C)c1ncc(C(=O)[O-])s1 ZINC001599577881 998475873 /nfs/dbraw/zinc/47/58/73/998475873.db2.gz HASOXMALPVIPOG-IUCAKERBSA-N 0 2 383.857 3.181 20 0 GGADLN COc1ccc(Cl)cc1NC(=O)[C@@H](C)[NH2+][C@H](C)c1ncc(C(=O)[O-])s1 ZINC001599577882 998475947 /nfs/dbraw/zinc/47/59/47/998475947.db2.gz HASOXMALPVIPOG-RKDXNWHRSA-N 0 2 383.857 3.181 20 0 GGADLN COc1ccc(Cl)cc1NC(=O)[C@H](C)[NH2+][C@H](C)c1ncc(C(=O)[O-])s1 ZINC001599577880 998476185 /nfs/dbraw/zinc/47/61/85/998476185.db2.gz HASOXMALPVIPOG-DTWKUNHWSA-N 0 2 383.857 3.181 20 0 GGADLN COc1ccc(Cl)cc1NC(=O)[C@H](C)[N@@H+]1CCc2ccc(C(=O)[O-])cc2C1 ZINC001599577946 998477538 /nfs/dbraw/zinc/47/75/38/998477538.db2.gz KACUJRNZFNNZAW-LBPRGKRZSA-N 0 2 388.851 3.432 20 0 GGADLN COc1ccc(Cl)cc1NC(=O)[C@H](C)[N@H+]1CCc2ccc(C(=O)[O-])cc2C1 ZINC001599577946 998477545 /nfs/dbraw/zinc/47/75/45/998477545.db2.gz KACUJRNZFNNZAW-LBPRGKRZSA-N 0 2 388.851 3.432 20 0 GGADLN COc1ccc(Cl)cc1NC(=O)[C@H](C)[N@@H+]1CC[C@](C(=O)[O-])(C(F)(F)F)C1 ZINC001599578406 998484785 /nfs/dbraw/zinc/48/47/85/998484785.db2.gz ZXXVQRQORWDQLX-VFZGTOFNSA-N 0 2 394.777 3.015 20 0 GGADLN COc1ccc(Cl)cc1NC(=O)[C@H](C)[N@H+]1CC[C@](C(=O)[O-])(C(F)(F)F)C1 ZINC001599578406 998484794 /nfs/dbraw/zinc/48/47/94/998484794.db2.gz ZXXVQRQORWDQLX-VFZGTOFNSA-N 0 2 394.777 3.015 20 0 GGADLN C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC001594151854 998533841 /nfs/dbraw/zinc/53/38/41/998533841.db2.gz ZSZIGUPXBXLIAK-DVOMOZLQSA-N 0 2 397.878 3.121 20 0 GGADLN COC(=O)c1ccc(C[N@@H+]2CCc3c(C(=O)[O-])ccc(OC)c3C2)cc1Cl ZINC001598974736 998581088 /nfs/dbraw/zinc/58/10/88/998581088.db2.gz PPHZSJDZUILSCJ-UHFFFAOYSA-N 0 2 389.835 3.392 20 0 GGADLN COC(=O)c1ccc(C[N@H+]2CCc3c(C(=O)[O-])ccc(OC)c3C2)cc1Cl ZINC001598974736 998581100 /nfs/dbraw/zinc/58/11/00/998581100.db2.gz PPHZSJDZUILSCJ-UHFFFAOYSA-N 0 2 389.835 3.392 20 0 GGADLN COC(=O)c1cccc([C@H](C(=O)[O-])[N@H+]2CC=C(c3ccc(Cl)nc3)CC2)c1 ZINC001598996250 998782626 /nfs/dbraw/zinc/78/26/26/998782626.db2.gz LWJHPEUGDUUIPR-GOSISDBHSA-N 0 2 386.835 3.437 20 0 GGADLN COC(=O)c1cccc([C@H](C(=O)[O-])[N@@H+]2CC=C(c3ccc(Cl)nc3)CC2)c1 ZINC001598996250 998782630 /nfs/dbraw/zinc/78/26/30/998782630.db2.gz LWJHPEUGDUUIPR-GOSISDBHSA-N 0 2 386.835 3.437 20 0 GGADLN COC(=O)c1cccc2c1OCC[N@@H+]([C@@H](C(=O)[O-])c1cccc(Cl)c1)C2 ZINC001599002403 998829830 /nfs/dbraw/zinc/82/98/30/998829830.db2.gz ILBSDCJESGCTSO-MRXNPFEDSA-N 0 2 375.808 3.147 20 0 GGADLN COC(=O)c1cccc2c1OCC[N@H+]([C@@H](C(=O)[O-])c1cccc(Cl)c1)C2 ZINC001599002403 998829832 /nfs/dbraw/zinc/82/98/32/998829832.db2.gz ILBSDCJESGCTSO-MRXNPFEDSA-N 0 2 375.808 3.147 20 0 GGADLN COC(=O)c1cccc2c1C[N@H+](CCOc1ccc(C(=O)[O-])cc1Cl)CC2 ZINC001599002818 998832715 /nfs/dbraw/zinc/83/27/15/998832715.db2.gz LVJDQIIUNTZGAV-UHFFFAOYSA-N 0 2 389.835 3.262 20 0 GGADLN COC(=O)c1cccc2c1C[N@@H+](CCOc1ccc(C(=O)[O-])cc1Cl)CC2 ZINC001599002818 998832720 /nfs/dbraw/zinc/83/27/20/998832720.db2.gz LVJDQIIUNTZGAV-UHFFFAOYSA-N 0 2 389.835 3.262 20 0 GGADLN COC(=O)c1cnc([C@@H]2CC[N@@H+]([C@@H](C(=O)[O-])c3ccccc3Cl)C2)s1 ZINC001599009516 998885876 /nfs/dbraw/zinc/88/58/76/998885876.db2.gz OFXMZRUNFWZRTK-QMTHXVAHSA-N 0 2 380.853 3.198 20 0 GGADLN COC(=O)c1cnc([C@@H]2CC[N@H+]([C@@H](C(=O)[O-])c3ccccc3Cl)C2)s1 ZINC001599009516 998885879 /nfs/dbraw/zinc/88/58/79/998885879.db2.gz OFXMZRUNFWZRTK-QMTHXVAHSA-N 0 2 380.853 3.198 20 0 GGADLN COC(=O)c1csc(C[NH+]2CCC(c3c[nH]c4ccc(C(=O)[O-])cc43)CC2)n1 ZINC001599012755 998912821 /nfs/dbraw/zinc/91/28/21/998912821.db2.gz KGLNSDSWJLTUDS-UHFFFAOYSA-N 0 2 399.472 3.489 20 0 GGADLN C[C@H]1C[C@H]1c1ccc(C[N@H+](CC(=O)Nc2nc(CC(=O)[O-])cs2)C2CC2)o1 ZINC001594279627 999085105 /nfs/dbraw/zinc/08/51/05/999085105.db2.gz JONIMJRNTIMTAX-XHDPSFHLSA-N 0 2 389.477 3.090 20 0 GGADLN C[C@H]1C[C@H]1c1ccc(C[N@@H+](CC(=O)Nc2nc(CC(=O)[O-])cs2)C2CC2)o1 ZINC001594279627 999085110 /nfs/dbraw/zinc/08/51/10/999085110.db2.gz JONIMJRNTIMTAX-XHDPSFHLSA-N 0 2 389.477 3.090 20 0 GGADLN C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)c3ccc(C(=O)[O-])cc3F)n2)C1 ZINC001594383531 999448110 /nfs/dbraw/zinc/44/81/10/999448110.db2.gz ADNOIBYNXMEERX-LLVKDONJSA-N 0 2 377.441 3.465 20 0 GGADLN C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)c3ccc(C(=O)[O-])cc3F)n2)C1 ZINC001594383531 999448113 /nfs/dbraw/zinc/44/81/13/999448113.db2.gz ADNOIBYNXMEERX-LLVKDONJSA-N 0 2 377.441 3.465 20 0 GGADLN C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N[C@@H](CC(=O)[O-])C(C)(C)C)n2)C1 ZINC001594383717 999449995 /nfs/dbraw/zinc/44/99/95/999449995.db2.gz CRUBAXQFZKVUDR-OCCSQVGLSA-N 0 2 382.530 3.386 20 0 GGADLN C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N[C@@H](CC(=O)[O-])C(C)(C)C)n2)C1 ZINC001594383717 999449997 /nfs/dbraw/zinc/44/99/97/999449997.db2.gz CRUBAXQFZKVUDR-OCCSQVGLSA-N 0 2 382.530 3.386 20 0 GGADLN C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N[C@H]3CC[C@@H](CC(=O)[O-])C3)n2)C1 ZINC001594384115 999453535 /nfs/dbraw/zinc/45/35/35/999453535.db2.gz KJFLXSIRQMCBRZ-MJBXVCDLSA-N 0 2 380.514 3.140 20 0 GGADLN C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N[C@H]3CC[C@@H](CC(=O)[O-])C3)n2)C1 ZINC001594384115 999453536 /nfs/dbraw/zinc/45/35/36/999453536.db2.gz KJFLXSIRQMCBRZ-MJBXVCDLSA-N 0 2 380.514 3.140 20 0 GGADLN C[C@H]1CCC[N@H+](Cc2csc(NC(=O)/C=C/c3cc(C(=O)[O-])co3)n2)C1 ZINC001594384546 999456911 /nfs/dbraw/zinc/45/69/11/999456911.db2.gz SQBCOLJOMYNFAJ-ITKZLYELSA-N 0 2 375.450 3.318 20 0 GGADLN C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)/C=C/c3cc(C(=O)[O-])co3)n2)C1 ZINC001594384546 999456914 /nfs/dbraw/zinc/45/69/14/999456914.db2.gz SQBCOLJOMYNFAJ-ITKZLYELSA-N 0 2 375.450 3.318 20 0 GGADLN C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)/C=C/c3cc(C(=O)[O-])co3)n2)C1 ZINC001594384549 999456967 /nfs/dbraw/zinc/45/69/67/999456967.db2.gz SQBCOLJOMYNFAJ-ZYOFXKKJSA-N 0 2 375.450 3.318 20 0 GGADLN C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)/C=C/c3cc(C(=O)[O-])co3)n2)C1 ZINC001594384549 999456974 /nfs/dbraw/zinc/45/69/74/999456974.db2.gz SQBCOLJOMYNFAJ-ZYOFXKKJSA-N 0 2 375.450 3.318 20 0 GGADLN C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)/C=C\c3cc(C(=O)[O-])co3)n2)C1 ZINC001594384547 999457186 /nfs/dbraw/zinc/45/71/86/999457186.db2.gz SQBCOLJOMYNFAJ-QMAVJUDZSA-N 0 2 375.450 3.318 20 0 GGADLN C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)/C=C\c3cc(C(=O)[O-])co3)n2)C1 ZINC001594384547 999457187 /nfs/dbraw/zinc/45/71/87/999457187.db2.gz SQBCOLJOMYNFAJ-QMAVJUDZSA-N 0 2 375.450 3.318 20 0 GGADLN C[C@H]1CCC[N@H+](Cc2csc(NC(=O)/C=C\c3cc(C(=O)[O-])co3)n2)C1 ZINC001594384548 999457213 /nfs/dbraw/zinc/45/72/13/999457213.db2.gz SQBCOLJOMYNFAJ-RXNFCKPNSA-N 0 2 375.450 3.318 20 0 GGADLN C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)/C=C\c3cc(C(=O)[O-])co3)n2)C1 ZINC001594384548 999457216 /nfs/dbraw/zinc/45/72/16/999457216.db2.gz SQBCOLJOMYNFAJ-RXNFCKPNSA-N 0 2 375.450 3.318 20 0 GGADLN C[C@H]1CCN(C(=O)Nc2cc(C(=O)[O-])cc3cccnc32)C[C@H]1n1cc[nH+]c1 ZINC001594402543 999508524 /nfs/dbraw/zinc/50/85/24/999508524.db2.gz BYZJYMKIGDJLNN-SUMWQHHRSA-N 0 2 379.420 3.245 20 0 GGADLN C[C@@H]1CCN(C(=O)Nc2cc(Cl)c(F)c(C(=O)[O-])c2)C[C@@H]1n1cc[nH+]c1 ZINC001594402941 999510644 /nfs/dbraw/zinc/51/06/44/999510644.db2.gz MJRUEXZPTYBXAU-YGRLFVJLSA-N 0 2 380.807 3.489 20 0 GGADLN Cn1cc(-c2nc(C[NH2+][C@@H](Cc3cc4ccccc4o3)C(=O)[O-])cs2)cn1 ZINC001600923941 1126220769 /nfs/dbraw/zinc/22/07/69/1126220769.db2.gz LDMVLODRSFZHEJ-INIZCTEOSA-N 0 2 382.445 3.075 20 0 GGADLN O=C([O-])[C@H](Cc1cc2ccccc2o1)[NH2+]Cc1nc(Br)cs1 ZINC001601657476 1126223027 /nfs/dbraw/zinc/22/30/27/1126223027.db2.gz MTKQWKQVSXZLBZ-NSHDSACASA-N 0 2 381.251 3.437 20 0 GGADLN C[C@@](Cc1ccc(Cl)cc1)([NH2+]Cc1nc(=O)c2sccc2[nH]1)C(=O)[O-] ZINC001604218304 1126228237 /nfs/dbraw/zinc/22/82/37/1126228237.db2.gz GMVQUISDTUNTKX-KRWDZBQOSA-N 0 2 377.853 3.226 20 0 GGADLN COc1ccc(-c2nnc(C[NH2+][C@](C)(Cc3ccc(F)cc3)C(=O)[O-])o2)cc1 ZINC001607196407 1126232714 /nfs/dbraw/zinc/23/27/14/1126232714.db2.gz MYGYTSCBZUVJCW-HXUWFJFHSA-N 0 2 385.395 3.060 20 0 GGADLN COc1cccc(C[C@H]([NH2+]Cc2nc(C)c(Br)s2)C(=O)[O-])c1 ZINC001607321460 1126233198 /nfs/dbraw/zinc/23/31/98/1126233198.db2.gz HHBFBDOJCXFNSD-LBPRGKRZSA-N 0 2 385.283 3.008 20 0 GGADLN Cc1cc(C(=O)CN2C(=O)NC3(CCCC3)C2=O)c(C)n1Cc1ccc(F)cc1 ZINC000004547952 204051612 /nfs/dbraw/zinc/05/16/12/204051612.db2.gz IXMLKAZITBIGAC-UHFFFAOYSA-N 0 2 397.450 3.340 20 0 GGADLN Cc1noc(C)c1S(=O)(=O)Nc1ccc(-c2nnc3n2CCCCC3)cc1 ZINC000006581607 204184444 /nfs/dbraw/zinc/18/44/44/204184444.db2.gz SYCJBIZIIJONOP-UHFFFAOYSA-N 0 2 387.465 3.077 20 0 GGADLN Cc1nn(-c2ccccc2)c(C)c1NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2 ZINC000012560860 204423926 /nfs/dbraw/zinc/42/39/26/204423926.db2.gz QJAABDKHPYWTSD-UHFFFAOYSA-N 0 2 396.472 3.175 20 0 GGADLN CCCN(CC(=O)Nc1ccc(C)c(C)c1)Cc1nc(=O)c2sccc2[nH]1 ZINC000024829244 204825309 /nfs/dbraw/zinc/82/53/09/204825309.db2.gz NUXQNAYLDULNLX-UHFFFAOYSA-N 0 2 384.505 3.452 20 0 GGADLN Cc1cc(C(=O)Nc2nnc(NS(=O)(=O)c3ccccc3)s2)c(C)s1 ZINC000054032108 205139345 /nfs/dbraw/zinc/13/93/45/205139345.db2.gz DGQXGJRQFCPVPV-UHFFFAOYSA-N 0 2 394.503 3.270 20 0 GGADLN CCOC(=O)c1ccn(-c2cccc(NS(=O)(=O)c3ccc(C)s3)c2)n1 ZINC000055590602 205150115 /nfs/dbraw/zinc/15/01/15/205150115.db2.gz BJHROOLGTCCVID-UHFFFAOYSA-N 0 2 391.474 3.220 20 0 GGADLN COCCn1ncc2ccc(NS(=O)(=O)c3ccc(Cl)cc3F)cc21 ZINC000057995174 205161425 /nfs/dbraw/zinc/16/14/25/205161425.db2.gz YOXMFKQXESEMHH-UHFFFAOYSA-N 0 2 383.832 3.276 20 0 GGADLN COC(=O)c1sccc1NS(=O)(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000063911586 205188290 /nfs/dbraw/zinc/18/82/90/205188290.db2.gz CPWIUIQMOMJBOT-UHFFFAOYSA-N 0 2 383.344 3.493 20 0 GGADLN O=S(=O)(Nc1nnc(C(F)(F)F)s1)c1ccccc1OC(F)(F)F ZINC000079061421 205380403 /nfs/dbraw/zinc/38/04/03/205380403.db2.gz YMVLUPJVQQXYKI-UHFFFAOYSA-N 0 2 393.290 3.256 20 0 GGADLN COc1cc(C)c(S(=O)(=O)Nc2nnc(-c3ccccc3)s2)cc1OC ZINC000079061398 205381055 /nfs/dbraw/zinc/38/10/55/205381055.db2.gz FIWAMGSVBXKXQP-UHFFFAOYSA-N 0 2 391.474 3.332 20 0 GGADLN CC(C)N1C(=O)C[C@H](C(=O)NO[C@@H]2CCCCO2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000095989100 205513495 /nfs/dbraw/zinc/51/34/95/205513495.db2.gz VYDNAPBBRRZFAC-MORSLUCNSA-N 0 2 398.862 3.352 20 0 GGADLN Cn1nncc1NS(=O)(=O)c1ccc(-c2ccc(Br)cc2)cc1 ZINC000225393243 206046109 /nfs/dbraw/zinc/04/61/09/206046109.db2.gz HKKMPOFFWFAEAJ-UHFFFAOYSA-N 0 2 393.266 3.045 20 0 GGADLN COc1ccc(S(=O)(=O)Nc2ccnn2CC(C)C)c(Br)c1 ZINC000225464687 206049100 /nfs/dbraw/zinc/04/91/00/206049100.db2.gz YMHKBSOIZFPMKN-UHFFFAOYSA-N 0 2 388.287 3.111 20 0 GGADLN O=S(=O)(Nc1cc(C(F)(F)F)ccc1N1CCOCC1)c1cccs1 ZINC000006317193 206218665 /nfs/dbraw/zinc/21/86/65/206218665.db2.gz VDWIJICTVVSSNS-UHFFFAOYSA-N 0 2 392.424 3.404 20 0 GGADLN CCCn1c(SCc2nc(=O)c3sccc3[nH]2)nc2ccccc2c1=O ZINC000006313754 206218821 /nfs/dbraw/zinc/21/88/21/206218821.db2.gz LCGVYGGKKUNSQX-UHFFFAOYSA-N 0 2 384.486 3.397 20 0 GGADLN O=S(=O)(Nc1cnn(CC(F)(F)F)c1)c1ccc(Br)cc1 ZINC000118301369 564238965 /nfs/dbraw/zinc/23/89/65/564238965.db2.gz LXKVSRIPEJFUMH-UHFFFAOYSA-N 0 2 384.177 3.009 20 0 GGADLN Cc1cc(S(=O)(=O)Nc2nc3c(s2)CCCC3)ccc1Br ZINC000042267039 564444841 /nfs/dbraw/zinc/44/48/41/564444841.db2.gz YTFXQFIGTKWYSI-UHFFFAOYSA-N 0 2 387.324 3.316 20 0 GGADLN Cc1ccc(Br)cc1S(=O)(=O)Nc1nc2c(s1)CCCC2 ZINC000042294611 564445015 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O=C(Nc1ccc(F)cc1)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000158629943 565176307 /nfs/dbraw/zinc/17/63/07/565176307.db2.gz YWPIBRGEGZVUHA-UHFFFAOYSA-N 0 2 377.422 3.335 20 0 GGADLN O=C(NC1CC1)c1cc(NS(=O)(=O)c2cccc(F)c2F)ccc1Cl ZINC000158649603 565176659 /nfs/dbraw/zinc/17/66/59/565176659.db2.gz RZMQZXBRJBSQHY-UHFFFAOYSA-N 0 2 386.807 3.311 20 0 GGADLN CC[C@H]1CCCCN1C(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000158660269 565177719 /nfs/dbraw/zinc/17/77/19/565177719.db2.gz DTUCLRCUJFTBIK-AWEZNQCLSA-N 0 2 379.507 3.349 20 0 GGADLN Cc1cc(Br)ccc1S(=O)(=O)Nc1nc2c(s1)COCC2 ZINC000185111061 565178313 /nfs/dbraw/zinc/17/83/13/565178313.db2.gz XWUWGMJAJAPVFB-UHFFFAOYSA-N 0 2 389.296 3.088 20 0 GGADLN C[C@@H]1CCC[C@H](NC(=O)c2ccc(S(=O)(=O)Nc3nccs3)cc2)C1 ZINC000158704279 565179246 /nfs/dbraw/zinc/17/92/46/565179246.db2.gz CGSJWBVVJFPCQM-OCCSQVGLSA-N 0 2 379.507 3.252 20 0 GGADLN CC(=O)Nc1cc(F)c(F)cc1NS(=O)(=O)c1ccc(F)c(F)c1F ZINC000158748291 565179643 /nfs/dbraw/zinc/17/96/43/565179643.db2.gz KXGJEZYKBPASRJ-UHFFFAOYSA-N 0 2 380.294 3.141 20 0 GGADLN C[C@H]1C[N@@H+](Cc2cc(F)cc(Br)c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000371305617 565185857 /nfs/dbraw/zinc/18/58/57/565185857.db2.gz ZMISYYZIIWHZPP-KSSFIOAISA-N 0 2 384.337 3.046 20 0 GGADLN CCc1cnc(NC(=O)c2ccc(S(=O)(=O)Nc3nccs3)cc2)s1 ZINC000158902384 565186255 /nfs/dbraw/zinc/18/62/55/565186255.db2.gz SJVXUVBVZXBXQC-UHFFFAOYSA-N 0 2 394.503 3.215 20 0 GGADLN O=C(CSc1n[nH]c(=S)s1)NOCc1ccc(C(F)(F)F)cc1 ZINC000269645718 565196533 /nfs/dbraw/zinc/19/65/33/565196533.db2.gz ZSCFEWKKSLARDJ-UHFFFAOYSA-N 0 2 381.426 3.186 20 0 GGADLN O=C(CNC(=O)c1ccc(F)cc1F)Nc1cc(Cl)c(O)c(Cl)c1 ZINC000159229155 565197919 /nfs/dbraw/zinc/19/79/19/565197919.db2.gz HPYZBKCBKMWVFZ-UHFFFAOYSA-N 0 2 375.158 3.346 20 0 GGADLN CNC(=O)COc1cccc(CC(=O)Nc2cc(Cl)c(O)c(Cl)c2)c1 ZINC000159221945 565198114 /nfs/dbraw/zinc/19/81/14/565198114.db2.gz SJDRLNNHIMTNRL-UHFFFAOYSA-N 0 2 383.231 3.005 20 0 GGADLN CC1CCC(NS(=O)(=O)CC(=O)Nc2cc(Cl)c(O)c(Cl)c2)CC1 ZINC000159252685 565199000 /nfs/dbraw/zinc/19/90/00/565199000.db2.gz BLBATOYYICHMCO-UHFFFAOYSA-N 0 2 395.308 3.136 20 0 GGADLN Cn1c2ccccc2n(CCC(=O)Nc2cc(Cl)c(O)c(Cl)c2)c1=O ZINC000159295340 565200108 /nfs/dbraw/zinc/20/01/08/565200108.db2.gz CEWAWIYWXSWRED-UHFFFAOYSA-N 0 2 380.231 3.381 20 0 GGADLN C[C@H](NS(=O)(=O)c1ccccc1)C(=O)Nc1cc(Cl)c(O)c(Cl)c1 ZINC000159295832 565200950 /nfs/dbraw/zinc/20/09/50/565200950.db2.gz ZLNCAAPMDKAXSH-VIFPVBQESA-N 0 2 389.260 3.005 20 0 GGADLN Cc1ncc(S(=O)(=O)Nc2ccc(C(=O)N3CCCCCC3)cc2)s1 ZINC000269997222 565206012 /nfs/dbraw/zinc/20/60/12/565206012.db2.gz WSRNOMRECYWMRH-UHFFFAOYSA-N 0 2 379.507 3.269 20 0 GGADLN CCn1nc(C)c(NS(=O)(=O)c2cc(Br)cc(OC)c2)c1C ZINC000185591888 565210009 /nfs/dbraw/zinc/21/00/09/565210009.db2.gz ITECEJPOQLOVCS-UHFFFAOYSA-N 0 2 388.287 3.092 20 0 GGADLN O=S(=O)(Nc1ccc(Cl)cn1)c1cc(Br)cc2c1OCC2 ZINC000185599867 565211026 /nfs/dbraw/zinc/21/10/26/565211026.db2.gz FMUNSCZTVQAHJA-UHFFFAOYSA-N 0 2 389.658 3.233 20 0 GGADLN Cc1cc(C)nc(NS(=O)(=O)c2c(Cl)cc(F)cc2Br)n1 ZINC000185707391 565217189 /nfs/dbraw/zinc/21/71/89/565217189.db2.gz OLFGTTLBNGPUMZ-UHFFFAOYSA-N 0 2 394.653 3.449 20 0 GGADLN Cc1noc([C@@H]2CCCN(C(=O)c3cc(Br)c(F)cc3O)C2)n1 ZINC000294616599 565219772 /nfs/dbraw/zinc/21/97/72/565219772.db2.gz XOFXJPZVLWBVQK-SECBINFHSA-N 0 2 384.205 3.005 20 0 GGADLN Cc1noc([C@H]2CCCN(C(=O)c3cc(Br)c(F)cc3O)C2)n1 ZINC000294616604 565220074 /nfs/dbraw/zinc/22/00/74/565220074.db2.gz XOFXJPZVLWBVQK-VIFPVBQESA-N 0 2 384.205 3.005 20 0 GGADLN O=S(=O)(Nc1ccc2c[nH]nc2c1)c1cc(F)c(Br)cc1F ZINC000159927086 565225499 /nfs/dbraw/zinc/22/54/99/565225499.db2.gz ICCJLMPPZBSJQL-UHFFFAOYSA-N 0 2 388.193 3.404 20 0 GGADLN CCOC(=O)c1[nH]c(C)c(S(=O)(=O)Nc2nccc3sccc32)c1C ZINC000185944824 565230920 /nfs/dbraw/zinc/23/09/20/565230920.db2.gz WXPJXXPWLBFISI-UHFFFAOYSA-N 0 2 379.463 3.219 20 0 GGADLN Cc1c(NS(=O)(=O)c2ccccc2OC(F)F)n(C)nc1C(F)(F)F ZINC000185959611 565231715 /nfs/dbraw/zinc/23/17/15/565231715.db2.gz LRUMWIKUFPOPOH-UHFFFAOYSA-N 0 2 385.314 3.150 20 0 GGADLN O=S(=O)(Nc1ncc(C2CCOCC2)s1)c1ccccc1OC(F)F ZINC000294945902 565237032 /nfs/dbraw/zinc/23/70/32/565237032.db2.gz AFYWHFVSVSNFJA-UHFFFAOYSA-N 0 2 390.433 3.439 20 0 GGADLN COc1cc(Br)cc(S(=O)(=O)Nc2cc(Cl)ccn2)c1 ZINC000186096091 565239384 /nfs/dbraw/zinc/23/93/84/565239384.db2.gz WDJNGTSWXMSNGL-UHFFFAOYSA-N 0 2 377.647 3.307 20 0 GGADLN CCc1cnc(NS(=O)(=O)c2cc(Br)cc(OC)c2)s1 ZINC000186094800 565239415 /nfs/dbraw/zinc/23/94/15/565239415.db2.gz DFHRCBCXVFLOCS-UHFFFAOYSA-N 0 2 377.285 3.277 20 0 GGADLN CS(=O)(=O)c1c(Cl)cccc1NS(=O)(=O)c1ccc(Cl)cc1F ZINC000186103356 565240961 /nfs/dbraw/zinc/24/09/61/565240961.db2.gz LMBXDKNBOWQGKA-UHFFFAOYSA-N 0 2 398.264 3.337 20 0 GGADLN O=S(=O)(Nc1nnc(C(F)F)s1)c1ccc(F)c(C(F)(F)F)c1 ZINC000160489228 565248379 /nfs/dbraw/zinc/24/83/79/565248379.db2.gz DXZWUBZPVAUAFZ-UHFFFAOYSA-N 0 2 377.291 3.434 20 0 GGADLN Cc1cc2sc(NS(=O)(=O)c3cn(C)nc3C(F)(F)F)nc2c(C)c1 ZINC000295155835 565248552 /nfs/dbraw/zinc/24/85/52/565248552.db2.gz GONCTDIPCLGOJY-UHFFFAOYSA-N 0 2 390.412 3.466 20 0 GGADLN O=S(=O)(Nc1nnc(C2CCOCC2)s1)c1csc2ccccc12 ZINC000295166955 565249652 /nfs/dbraw/zinc/24/96/52/565249652.db2.gz FQROQBWUHJDCMS-UHFFFAOYSA-N 0 2 381.504 3.448 20 0 GGADLN Cc1cc(S(=O)(=O)Nc2nnc(C3CCOCC3)s2)sc1Cl ZINC000295193569 565250201 /nfs/dbraw/zinc/25/02/01/565250201.db2.gz LOQUAZMHRKARKY-UHFFFAOYSA-N 0 2 379.916 3.256 20 0 GGADLN O=S(=O)(Nc1nncs1)c1cc(Br)cc(C(F)(F)F)c1 ZINC000160552494 565250145 /nfs/dbraw/zinc/25/01/45/565250145.db2.gz UKKSMCCFWGYSNZ-UHFFFAOYSA-N 0 2 388.190 3.120 20 0 GGADLN COC(=O)c1scc(C)c1S(=O)(=O)Nc1ccc([C@H]2CCOC2)cc1 ZINC000295184014 565250293 /nfs/dbraw/zinc/25/02/93/565250293.db2.gz JLJAQRIWEAPHNF-ZDUSSCGKSA-N 0 2 381.475 3.148 20 0 GGADLN CSc1c(F)cc(NS(=O)(=O)c2cn(C)nc2C(F)(F)F)cc1F ZINC000295231808 565253147 /nfs/dbraw/zinc/25/31/47/565253147.db2.gz SWGXMZKWIYFEHY-UHFFFAOYSA-N 0 2 387.355 3.240 20 0 GGADLN CCOC(=O)[C@H]1CCCc2sc(NS(=O)(=O)c3cccc(F)c3)nc21 ZINC000295237566 565254421 /nfs/dbraw/zinc/25/44/21/565254421.db2.gz UNMAXICMTWOLPJ-LBPRGKRZSA-N 0 2 384.454 3.066 20 0 GGADLN C[C@H]([NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)c1cc(Cl)sc1Cl ZINC000372780002 565254574 /nfs/dbraw/zinc/25/45/74/565254574.db2.gz JCDHGJICXANCBV-QWHCGFSZSA-N 0 2 378.369 3.112 20 0 GGADLN O=S(=O)(Nc1nnc(C2CCOCC2)s1)c1c(Cl)ccc(F)c1F ZINC000295264091 565255241 /nfs/dbraw/zinc/25/52/41/565255241.db2.gz YMVKGWVLJFVFSO-UHFFFAOYSA-N 0 2 395.840 3.165 20 0 GGADLN Cc1ncc(S(=O)(=O)Nc2cccc3c2CN(c2nccs2)C3)s1 ZINC000372856998 565257920 /nfs/dbraw/zinc/25/79/20/565257920.db2.gz NYHPOIGOOHNJJV-UHFFFAOYSA-N 0 2 378.504 3.229 20 0 GGADLN C[C@H](C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)C(C)(F)F ZINC000295349635 565260992 /nfs/dbraw/zinc/26/09/92/565260992.db2.gz IKYOIEPPKZKJBU-SECBINFHSA-N 0 2 375.422 3.174 20 0 GGADLN O=S(=O)(NCc1n[nH]c(C2CC2)n1)c1c(Cl)cc(Cl)cc1Cl ZINC000295394213 565263739 /nfs/dbraw/zinc/26/37/39/565263739.db2.gz UYISLTZANKCMTN-UHFFFAOYSA-N 0 2 381.672 3.121 20 0 GGADLN Cc1cccc(CS(=O)(=O)Nc2ncn(Cc3ccc(Cl)cc3)n2)c1 ZINC000186598602 565271005 /nfs/dbraw/zinc/27/10/05/565271005.db2.gz ZBVYARMLQPHSTQ-UHFFFAOYSA-N 0 2 376.869 3.230 20 0 GGADLN O=C(NCc1c(Br)cncc1Br)C(F)C(F)(F)F ZINC000295866125 565290290 /nfs/dbraw/zinc/29/02/90/565290290.db2.gz XDVSXRGBAHKNRM-SSDOTTSWSA-N 0 2 393.960 3.123 20 0 GGADLN Cc1cc(NS(=O)(=O)c2cc(Br)cc(C(F)(F)F)c2)nn1C ZINC000161518125 565286687 /nfs/dbraw/zinc/28/66/87/565286687.db2.gz LUZZINUEBWUNKJ-UHFFFAOYSA-N 0 2 398.204 3.311 20 0 GGADLN O=C(N[C@@H]1CCN(c2ccccc2Br)C1)c1cc(F)c(O)c(F)c1 ZINC000186807121 565287435 /nfs/dbraw/zinc/28/74/35/565287435.db2.gz ABVFLTSTHMIAAF-LLVKDONJSA-N 0 2 397.219 3.442 20 0 GGADLN COc1cc(Br)c(F)cc1S(=O)(=O)Nc1c(C)noc1C ZINC000272482636 565289326 /nfs/dbraw/zinc/28/93/26/565289326.db2.gz RAUFQGCHMCHDRZ-UHFFFAOYSA-N 0 2 379.207 3.002 20 0 GGADLN O=C(NCc1c(Br)cncc1Br)[C@@H](F)C(F)(F)F ZINC000295866125 565290282 /nfs/dbraw/zinc/29/02/82/565290282.db2.gz XDVSXRGBAHKNRM-SSDOTTSWSA-N 0 2 393.960 3.123 20 0 GGADLN O=S(=O)(Nc1ccc(OC(F)(F)F)cc1)c1cnn(CC(F)(F)F)c1 ZINC000186905733 565293962 /nfs/dbraw/zinc/29/39/62/565293962.db2.gz VGPQYJZLLKVPBF-UHFFFAOYSA-N 0 2 389.277 3.145 20 0 GGADLN Cc1cccc(F)c1S(=O)(=O)Nc1cc(Cl)ccc1N1CCOCC1 ZINC000186916583 565295449 /nfs/dbraw/zinc/29/54/49/565295449.db2.gz ILLJOMYITXABHK-UHFFFAOYSA-N 0 2 384.860 3.425 20 0 GGADLN O=S(=O)(Nc1cccc(OC(F)(F)F)c1)c1cnn(CC(F)(F)F)c1 ZINC000186930365 565296589 /nfs/dbraw/zinc/29/65/89/565296589.db2.gz LYMJCQAPLYPRPQ-UHFFFAOYSA-N 0 2 389.277 3.145 20 0 GGADLN O=C(c1cc(Br)cc(Cl)c1O)N1CCC(CCCO)CC1 ZINC000272812348 565298012 /nfs/dbraw/zinc/29/80/12/565298012.db2.gz IFJMZLJOOBOPJQ-UHFFFAOYSA-N 0 2 376.678 3.433 20 0 GGADLN CC[C@@H](C)Oc1ccc(NS(=O)(=O)c2cnn(CC(F)(F)F)c2)cc1 ZINC000186968179 565299053 /nfs/dbraw/zinc/29/90/53/565299053.db2.gz JKRVOTDAUUEMIN-LLVKDONJSA-N 0 2 377.388 3.424 20 0 GGADLN CC(C)OCc1ccc(NS(=O)(=O)c2cnn(CC(F)(F)F)c2)cc1 ZINC000186969271 565299172 /nfs/dbraw/zinc/29/91/72/565299172.db2.gz RTDSCCGXKYXXRU-UHFFFAOYSA-N 0 2 377.388 3.171 20 0 GGADLN CCCCOc1cccc(NS(=O)(=O)c2cnn(CC(F)(F)F)c2)c1 ZINC000186966687 565299407 /nfs/dbraw/zinc/29/94/07/565299407.db2.gz RGAGHKIIGQTEML-UHFFFAOYSA-N 0 2 377.388 3.425 20 0 GGADLN CCc1ncsc1NS(=O)(=O)c1cc(OC)ccc1Br ZINC000161988274 565300141 /nfs/dbraw/zinc/30/01/41/565300141.db2.gz JGGQZOGSAAEFMZ-UHFFFAOYSA-N 0 2 377.285 3.277 20 0 GGADLN Cc1cccc(F)c1S(=O)(=O)Nc1cccc(CS(=O)(=O)C(C)C)c1 ZINC000186991081 565300043 /nfs/dbraw/zinc/30/00/43/565300043.db2.gz SMNRPMHCHRINJG-UHFFFAOYSA-N 0 2 385.482 3.258 20 0 GGADLN CCc1ncsc1NS(=O)(=O)c1ccc(Br)c(OC)c1 ZINC000162015817 565301067 /nfs/dbraw/zinc/30/10/67/565301067.db2.gz TXTUEBZRNNJJGH-UHFFFAOYSA-N 0 2 377.285 3.277 20 0 GGADLN O=S(=O)(Nc1cccc(CC(F)(F)F)c1)c1cnn(CC(F)(F)F)c1 ZINC000187004230 565301902 /nfs/dbraw/zinc/30/19/02/565301902.db2.gz MKYXRXZRLAFQNC-UHFFFAOYSA-N 0 2 387.305 3.351 20 0 GGADLN O=S(=O)(Nc1ncc(C2CCCCC2)s1)c1cnn([C@@H]2CCOC2)c1 ZINC000272956732 565303456 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ZINC000329522136 565669915 /nfs/dbraw/zinc/66/99/15/565669915.db2.gz PHMPGIOTHCSYII-UHFFFAOYSA-N 0 2 378.885 3.315 20 0 GGADLN O=S(=O)(Cc1cccc(F)c1)Nc1ncn(Cc2ccc(Cl)cc2)n1 ZINC000174981612 565671277 /nfs/dbraw/zinc/67/12/77/565671277.db2.gz XBKGFYMAJFUCQK-UHFFFAOYSA-N 0 2 380.832 3.061 20 0 GGADLN COc1cc(C(=O)N(C)C)ccc1NS(=O)(=O)c1ccc(C)cc1Cl ZINC000174992150 565673166 /nfs/dbraw/zinc/67/31/66/565673166.db2.gz PLTBHXCWKROKAG-UHFFFAOYSA-N 0 2 382.869 3.160 20 0 GGADLN COCc1cccc(S(=O)(=O)Nc2cc3ccc(Br)cn3n2)c1 ZINC000410321619 565676919 /nfs/dbraw/zinc/67/69/19/565676919.db2.gz OMNVYPLOGHNKLY-UHFFFAOYSA-N 0 2 396.266 3.044 20 0 GGADLN CS(=O)(=O)c1ccc(S(=O)(=O)Nc2ccc3ccc(Cl)cc3n2)cc1 ZINC000410321169 565676943 /nfs/dbraw/zinc/67/69/43/565676943.db2.gz KWENLYNVKAJLMY-UHFFFAOYSA-N 0 2 396.877 3.093 20 0 GGADLN COC(=O)c1ccc(S(=O)(=O)Nc2ccc3ccc(Cl)cc3n2)cc1 ZINC000410320588 565677031 /nfs/dbraw/zinc/67/70/31/565677031.db2.gz FUPDMNFNDFNNSL-UHFFFAOYSA-N 0 2 376.821 3.476 20 0 GGADLN 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Cn1cc(S(=O)(=O)N[C@@H](c2ccccc2)C(F)(F)F)c(C(F)(F)F)n1 ZINC000559022950 566521688 /nfs/dbraw/zinc/52/16/88/566521688.db2.gz ZLNJBCFTWXZXEC-JTQLQIEISA-N 0 2 387.305 3.021 20 0 GGADLN CCc1cc(C(=O)OC)c(NS(=O)(=O)c2ccccc2OC(F)F)s1 ZINC000424223124 566522150 /nfs/dbraw/zinc/52/21/50/566522150.db2.gz OUIKMVJDZYJXLS-UHFFFAOYSA-N 0 2 391.417 3.499 20 0 GGADLN C[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)[C@H]1C(=O)[O-] ZINC000424256476 566522695 /nfs/dbraw/zinc/52/26/95/566522695.db2.gz AKHHWJUMWOXAGO-YMTOWFKASA-N 0 2 378.778 3.482 20 0 GGADLN C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)[C@H]1C(=O)[O-] ZINC000424256476 566522702 /nfs/dbraw/zinc/52/27/02/566522702.db2.gz AKHHWJUMWOXAGO-YMTOWFKASA-N 0 2 378.778 3.482 20 0 GGADLN CC(C)c1nc(NS(=O)(=O)c2cc(Br)ccc2Cl)no1 ZINC000538695726 566527399 /nfs/dbraw/zinc/52/73/99/566527399.db2.gz XLOUMMDHBCQKFL-UHFFFAOYSA-N 0 2 380.651 3.410 20 0 GGADLN CCc1noc2ncc(S(=O)(=O)Nc3nc4c(s3)CCC4(C)C)cc12 ZINC000578496479 566527338 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O=S(=O)(Nc1nccs1)c1cccc(NCc2ccn(C(F)F)n2)c1 ZINC000512615635 566546042 /nfs/dbraw/zinc/54/60/42/566546042.db2.gz YFINSZARJROHFP-UHFFFAOYSA-N 0 2 385.421 3.148 20 0 GGADLN O=C(NCc1sccc1Br)C1=NN(c2ccccc2)CC1=O ZINC000486005215 566548156 /nfs/dbraw/zinc/54/81/56/566548156.db2.gz PKUDQIOGLVHGQE-UHFFFAOYSA-N 0 2 378.251 3.332 20 0 GGADLN COC(=O)c1ccc(S(=O)(=O)Nc2ccc(-c3coc(C)n3)cc2)s1 ZINC000603974407 566548680 /nfs/dbraw/zinc/54/86/80/566548680.db2.gz SYYRCADKEYAJGQ-UHFFFAOYSA-N 0 2 378.431 3.299 20 0 GGADLN COC(=O)c1ccc(S(=O)(=O)Nc2ccc(C)c(Br)c2)s1 ZINC000603974145 566548908 /nfs/dbraw/zinc/54/89/08/566548908.db2.gz MJWBPNRTLRUXQW-UHFFFAOYSA-N 0 2 390.280 3.406 20 0 GGADLN CCOc1ccc(NS(=O)(=O)c2ccc(C(=O)OC)s2)cc1OCC ZINC000603971016 566548981 /nfs/dbraw/zinc/54/89/81/566548981.db2.gz IJBUFNXTXSYJMB-UHFFFAOYSA-N 0 2 385.463 3.133 20 0 GGADLN COc1cccc(S(O)=CC(=O)NCC2(c3ccc(Cl)cc3)CC2)c1 ZINC000424642856 566551947 /nfs/dbraw/zinc/55/19/47/566551947.db2.gz PGFNBWBMTBECQF-RUZDIDTESA-N 0 2 377.893 3.304 20 0 GGADLN CCc1cccc(NS(=O)(=O)c2ccc(CCNC(C)=O)s2)c1CC ZINC000486068516 566553189 /nfs/dbraw/zinc/55/31/89/566553189.db2.gz ALWZMQAHKNENKS-UHFFFAOYSA-N 0 2 380.535 3.352 20 0 GGADLN COc1cccc(S(O)=CC(=O)NC2(c3nc(C)cs3)CCCC2)c1 ZINC000424657770 566553772 /nfs/dbraw/zinc/55/37/72/566553772.db2.gz ONMNBOIVVDREKC-RUZDIDTESA-N 0 2 378.519 3.153 20 0 GGADLN COc1cccc(S(O)=CC(=O)N(C)[C@H]2CCCc3nc(C)sc32)c1 ZINC000424664187 566554032 /nfs/dbraw/zinc/55/40/32/566554032.db2.gz LPUJOYPOTOCORO-IVCQMTBJSA-N 0 2 378.519 3.104 20 0 GGADLN CC(C)Cn1cc(NS(=O)(=O)c2c(F)cccc2OC(F)(F)F)cn1 ZINC000578812911 566555377 /nfs/dbraw/zinc/55/53/77/566555377.db2.gz ZOXLSMFARHQOMH-UHFFFAOYSA-N 0 2 381.351 3.378 20 0 GGADLN COC(=O)c1cc(Cl)ccc1S(=O)(=O)Nc1ccc(C)c2c[nH]nc21 ZINC000512775962 566555830 /nfs/dbraw/zinc/55/58/30/566555830.db2.gz GISUIZQJLDGHAZ-UHFFFAOYSA-N 0 2 379.825 3.112 20 0 GGADLN CCCc1nc(C)c(NS(=O)(=O)c2ccc(N3CCCC3=O)cc2)s1 ZINC000486105131 566558795 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COc1ccc(NS(=O)(=O)c2cc(C)c(C)s2)cc1N1CCCC1=O ZINC000539117755 566561832 /nfs/dbraw/zinc/56/18/32/566561832.db2.gz SNETZOKNTFIPGO-UHFFFAOYSA-N 0 2 380.491 3.301 20 0 GGADLN C[C@@H]1CCCC[C@H]1C(=O)Nc1nnc(NS(=O)(=O)c2ccccc2)s1 ZINC000424714984 566561877 /nfs/dbraw/zinc/56/18/77/566561877.db2.gz GJYHLSXBSOOPEK-DGCLKSJQSA-N 0 2 380.495 3.104 20 0 GGADLN CCOc1cccc(NS(=O)(=O)c2ccc(F)c(Br)c2)n1 ZINC000673897760 566565119 /nfs/dbraw/zinc/56/51/19/566565119.db2.gz MVAUKAGLWCHUBB-UHFFFAOYSA-N 0 2 375.219 3.183 20 0 GGADLN COc1cc(S(=O)(=O)Nc2cc(C(C)(C)C)n[nH]2)ccc1Br ZINC000673897684 566565230 /nfs/dbraw/zinc/56/52/30/566565230.db2.gz LXYMVGUOYYSVNO-UHFFFAOYSA-N 0 2 388.287 3.279 20 0 GGADLN COc1cc(S(=O)(=O)Nc2cc(C(C)(C)C)[nH]n2)ccc1Br ZINC000673897684 566565235 /nfs/dbraw/zinc/56/52/35/566565235.db2.gz LXYMVGUOYYSVNO-UHFFFAOYSA-N 0 2 388.287 3.279 20 0 GGADLN COC(=O)c1c(F)cccc1S(=O)(=O)Nc1ccccc1OC(F)F ZINC000466340485 566567620 /nfs/dbraw/zinc/56/76/20/566567620.db2.gz VFCAVMGQTGCCJU-UHFFFAOYSA-N 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JCBLBXNBCYENDN-UHFFFAOYSA-N 0 2 399.314 3.350 20 0 GGADLN Cc1cc(=NC(=O)c2cc(Br)sc2Br)[nH]nc1C ZINC000604847755 566581452 /nfs/dbraw/zinc/58/14/52/566581452.db2.gz FZLXQUVBQYCGGT-UHFFFAOYSA-N 0 2 391.088 3.354 20 0 GGADLN COC(=O)c1cccc(Cl)c1S(=O)(=O)Nc1ccc(C(C)=O)c(C)c1 ZINC000560006995 566583128 /nfs/dbraw/zinc/58/31/28/566583128.db2.gz CJTIBQPWIOGJTF-UHFFFAOYSA-N 0 2 381.837 3.438 20 0 GGADLN CCn1c2ccc(S(=O)(=O)Nc3nc(C(C)C)c(C)s3)cc2oc1=O ZINC000579128381 566583697 /nfs/dbraw/zinc/58/36/97/566583697.db2.gz PZICCIJOLAPWGM-UHFFFAOYSA-N 0 2 381.479 3.304 20 0 GGADLN CCOc1ccc(NS(=O)(=O)c2c(Cl)ccc(F)c2F)cc1CO ZINC000560009073 566584977 /nfs/dbraw/zinc/58/49/77/566584977.db2.gz CSNKDFPCSDVAMU-UHFFFAOYSA-N 0 2 377.796 3.310 20 0 GGADLN COC(=O)c1cc(Cl)cc(S(=O)(=O)Nc2ccc(F)c(F)c2)c1OC ZINC000560007479 566585231 /nfs/dbraw/zinc/58/52/31/566585231.db2.gz MZMAQCJZFHCHSQ-UHFFFAOYSA-N 0 2 391.779 3.214 20 0 GGADLN CO[C@@H](C)C(=O)Nc1cccc(NS(=O)(=O)c2cc(Cl)ccc2F)c1 ZINC000560007459 566585465 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Cc1noc(C2CC[NH+]([C@H](C(=O)[O-])c3cccc(Br)c3)CC2)n1 ZINC000570168328 567462959 /nfs/dbraw/zinc/46/29/59/567462959.db2.gz BOLIVOGHKQCPLI-AWEZNQCLSA-N 0 2 380.242 3.146 20 0 GGADLN CC(=O)c1ccc(O)c(NS(=O)(=O)c2ccccc2OC(F)(F)F)c1 ZINC000436881559 567463158 /nfs/dbraw/zinc/46/31/58/567463158.db2.gz SVXLGDLZGNAHKJ-UHFFFAOYSA-N 0 2 375.324 3.294 20 0 GGADLN C[C@H](NC(=O)c1ccc(Cl)c(Cl)c1O)C(=O)N1Cc2ccccc2C1 ZINC000436896211 567465172 /nfs/dbraw/zinc/46/51/72/567465172.db2.gz MFOIKRNSBSKVND-JTQLQIEISA-N 0 2 379.243 3.360 20 0 GGADLN CN(C)c1cccnc1CNC(=O)c1cc(Cl)cc(Br)c1O ZINC000436931821 567466258 /nfs/dbraw/zinc/46/62/58/567466258.db2.gz MPHYTAMGFHENDU-UHFFFAOYSA-N 0 2 384.661 3.199 20 0 GGADLN O=C(Cc1ccc(O)cc1Cl)Nc1nc(-c2ccc(O)c(Cl)c2)n[nH]1 ZINC000436916764 567466581 /nfs/dbraw/zinc/46/65/81/567466581.db2.gz XHXXDEPEAFFUKI-UHFFFAOYSA-N 0 2 379.203 3.371 20 0 GGADLN C[C@@H](Sc1ccccn1)C(=O)Nc1nc(-c2ccc(O)c(Cl)c2)n[nH]1 ZINC000436915795 567466753 /nfs/dbraw/zinc/46/67/53/567466753.db2.gz QGIQCJIYHLGCAR-SECBINFHSA-N 0 2 375.841 3.345 20 0 GGADLN O=C(NCc1cn2ccsc2n1)c1cc(Cl)cc(Br)c1O ZINC000436935688 567468100 /nfs/dbraw/zinc/46/81/00/567468100.db2.gz WZWBAMZTCXMSNP-UHFFFAOYSA-N 0 2 386.658 3.447 20 0 GGADLN CC(C)(CS(C)(=O)=O)NC(=O)c1cc(-c2ccccc2)cc(Cl)c1O ZINC000436960909 567470044 /nfs/dbraw/zinc/47/00/44/567470044.db2.gz SBKPDRKVBQFYKO-UHFFFAOYSA-N 0 2 381.881 3.266 20 0 GGADLN Cc1cc(Br)cn2cc(CNC(=O)c3cc(F)c(O)c(F)c3)nc12 ZINC000436971409 567470144 /nfs/dbraw/zinc/47/01/44/567470144.db2.gz OSCUNSHENMBVCR-UHFFFAOYSA-N 0 2 396.191 3.319 20 0 GGADLN Cn1cc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(Cl)s3)cc2)cn1 ZINC000642230887 567471344 /nfs/dbraw/zinc/47/13/44/567471344.db2.gz NGUIRWYQEXFNDH-UHFFFAOYSA-N 0 2 396.881 3.188 20 0 GGADLN Cc1n[nH]c(C(F)F)c1NC(=O)c1cc(I)ccc1O ZINC000436986687 567471606 /nfs/dbraw/zinc/47/16/06/567471606.db2.gz RPXZWNGFHDDBBG-UHFFFAOYSA-N 0 2 393.131 3.218 20 0 GGADLN CC1(CCNC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2O)CC1 ZINC000436990955 567472265 /nfs/dbraw/zinc/47/22/65/567472265.db2.gz RMOQFOVWXRBAQD-UHFFFAOYSA-N 0 2 380.491 3.175 20 0 GGADLN O=C(c1ccc(NS(=O)(=O)c2cccs2)cc1O)N1C2CCC1CC2 ZINC000642259237 567473191 /nfs/dbraw/zinc/47/31/91/567473191.db2.gz XAKNKZCGXCLXDI-UHFFFAOYSA-N 0 2 378.475 3.022 20 0 GGADLN CO[C@H](C)c1noc(C[N@H+](CCC(=O)[O-])Cc2cccc(Br)c2)n1 ZINC000570286803 567473419 /nfs/dbraw/zinc/47/34/19/567473419.db2.gz OHXNZIGVISNPKP-LLVKDONJSA-N 0 2 398.257 3.016 20 0 GGADLN CO[C@H](C)c1noc(C[N@@H+](CCC(=O)[O-])Cc2cccc(Br)c2)n1 ZINC000570286803 567473423 /nfs/dbraw/zinc/47/34/23/567473423.db2.gz OHXNZIGVISNPKP-LLVKDONJSA-N 0 2 398.257 3.016 20 0 GGADLN CCn1cc(Br)c(=O)c(NC(=O)c2cc(F)c(O)c(Cl)c2)c1 ZINC000436997481 567473381 /nfs/dbraw/zinc/47/33/81/567473381.db2.gz NCGMYCNRGHNKCV-UHFFFAOYSA-N 0 2 389.608 3.381 20 0 GGADLN C[C@H](NC(=O)c1cc(F)cc(Br)c1O)c1ccc(NC(N)=O)cc1 ZINC000437000236 567473502 /nfs/dbraw/zinc/47/35/02/567473502.db2.gz SVUAAEHARZNCND-QMMMGPOBSA-N 0 2 396.216 3.275 20 0 GGADLN O=C(NCC1(CCO)CCCC1)c1cc(Cl)cc(Br)c1O ZINC000437001487 567473509 /nfs/dbraw/zinc/47/35/09/567473509.db2.gz RBKAGNQVJKRHSJ-UHFFFAOYSA-N 0 2 376.678 3.481 20 0 GGADLN Cc1cc(NS(=O)(=O)c2cc(Cl)ccc2F)n(-c2cc(C)ccn2)n1 ZINC000551021050 567473770 /nfs/dbraw/zinc/47/37/70/567473770.db2.gz UZJDXWCNEWHHET-UHFFFAOYSA-N 0 2 380.832 3.477 20 0 GGADLN O=C(Nc1ccc(-n2cncn2)c(F)c1)c1cc(F)cc(Br)c1O ZINC000437002372 567473825 /nfs/dbraw/zinc/47/38/25/567473825.db2.gz QGKWLUAYDKYKPO-UHFFFAOYSA-N 0 2 395.163 3.266 20 0 GGADLN O=C(N[C@@H]1CCCc2[nH]c(=O)ccc21)c1cc(F)cc(Br)c1O ZINC000437003251 567473892 /nfs/dbraw/zinc/47/38/92/567473892.db2.gz UNDHNBZZVSJOBO-CYBMUJFWSA-N 0 2 381.201 3.202 20 0 GGADLN C[C@@H](NC(=O)c1cc(F)cc(Br)c1O)c1ccc(NC(N)=O)cc1 ZINC000437000233 567474200 /nfs/dbraw/zinc/47/42/00/567474200.db2.gz SVUAAEHARZNCND-MRVPVSSYSA-N 0 2 396.216 3.275 20 0 GGADLN COC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)c(F)c2Cl)nc1 ZINC000551017196 567474183 /nfs/dbraw/zinc/47/41/83/567474183.db2.gz CNYLNGNAFLQYJY-UHFFFAOYSA-N 0 2 379.196 3.115 20 0 GGADLN Cc1ccc(I)cc1NC(=O)c1ccc2[nH]nnc2c1 ZINC000478660429 567474239 /nfs/dbraw/zinc/47/42/39/567474239.db2.gz FVHGXGWZRIYKKO-UHFFFAOYSA-N 0 2 378.173 3.123 20 0 GGADLN CC[C@H](C)c1ncc(NS(=O)(=O)c2cc(Cl)cc(C(=O)OC)c2)cn1 ZINC000478693169 567475370 /nfs/dbraw/zinc/47/53/70/567475370.db2.gz CYVPOSODXXXPEB-JTQLQIEISA-N 0 2 383.857 3.231 20 0 GGADLN CC[C@@H](C)c1ncc(NS(=O)(=O)c2cc(Cl)cc(C(=O)OC)c2)cn1 ZINC000478693170 567475577 /nfs/dbraw/zinc/47/55/77/567475577.db2.gz CYVPOSODXXXPEB-SNVBAGLBSA-N 0 2 383.857 3.231 20 0 GGADLN Cc1cn(-c2cccc(NS(=O)(=O)c3cccc(Cl)c3F)c2)c(=O)[nH]1 ZINC000478693842 567475783 /nfs/dbraw/zinc/47/57/83/567475783.db2.gz GTAHMVPSIBZVLW-UHFFFAOYSA-N 0 2 381.816 3.480 20 0 GGADLN CC[C@@H](C)c1ncc(NS(=O)(=O)c2ccc(C(=O)OC)c(Cl)c2)cn1 ZINC000478680985 567475836 /nfs/dbraw/zinc/47/58/36/567475836.db2.gz IHGUMQUIZGOOAV-SNVBAGLBSA-N 0 2 383.857 3.231 20 0 GGADLN O=C(Cc1ccc(NS(=O)(=O)c2cccs2)cc1)NCCC(F)(F)F ZINC000437063489 567476499 /nfs/dbraw/zinc/47/64/99/567476499.db2.gz LISJSTVPVKJEHL-UHFFFAOYSA-N 0 2 392.424 3.160 20 0 GGADLN Cc1nn(C)cc1S(=O)(=O)Nc1ncc(Cc2ccc(C)c(F)c2)s1 ZINC000570360463 567477324 /nfs/dbraw/zinc/47/73/24/567477324.db2.gz RHNCIIPPCSIHRA-UHFFFAOYSA-N 0 2 380.470 3.024 20 0 GGADLN CCN(C)C(=O)c1cccc(S(=O)(=O)Nc2nc(C(C)C)c(C)s2)c1 ZINC000570344160 567477835 /nfs/dbraw/zinc/47/78/35/567477835.db2.gz SYPRSSDMPWMKKP-UHFFFAOYSA-N 0 2 381.523 3.468 20 0 GGADLN CC[C@@H](C)c1ncc(NS(=O)(=O)c2ccc(C(=O)OC)cc2Cl)cn1 ZINC000478713360 567478440 /nfs/dbraw/zinc/47/84/40/567478440.db2.gz YMXLLAXQCWBUEL-SNVBAGLBSA-N 0 2 383.857 3.231 20 0 GGADLN Cc1ccc(C(=O)N(C)C)cc1NS(=O)(=O)c1c(Cl)ccc(F)c1F ZINC000551107881 567478717 /nfs/dbraw/zinc/47/87/17/567478717.db2.gz JZHYXUNURGTRFV-UHFFFAOYSA-N 0 2 388.823 3.429 20 0 GGADLN CCCCCc1nnc(NS(=O)(=O)c2cc(C(=O)OC)ccc2C)s1 ZINC000437164040 567479214 /nfs/dbraw/zinc/47/92/14/567479214.db2.gz JICAIHARPOVWMY-UHFFFAOYSA-N 0 2 383.495 3.167 20 0 GGADLN Cc1cc(NS(=O)(=O)c2cnn(CC(F)F)c2)cc(C)c1Br ZINC000551113844 567479655 /nfs/dbraw/zinc/47/96/55/567479655.db2.gz IZVINVUMHGKOQE-UHFFFAOYSA-N 0 2 394.241 3.328 20 0 GGADLN COc1c(NS(=O)(=O)c2cccc(Cl)c2F)cc(Cl)cc1C(N)=O ZINC000551113956 567479793 /nfs/dbraw/zinc/47/97/93/567479793.db2.gz GYHBSJWGGKSCRS-UHFFFAOYSA-N 0 2 393.223 3.041 20 0 GGADLN O=S(=O)(Nc1cccnc1OCC(F)F)c1c(Cl)ccc(F)c1F ZINC000551112430 567479963 /nfs/dbraw/zinc/47/99/63/567479963.db2.gz KLKSSRONGHPPAB-UHFFFAOYSA-N 0 2 384.738 3.458 20 0 GGADLN CS(=O)(=O)c1cc(NS(=O)(=O)c2cc(Cl)ccc2F)ccc1Cl ZINC000551113850 567480339 /nfs/dbraw/zinc/48/03/39/567480339.db2.gz JCYPYPNGCRYHAA-UHFFFAOYSA-N 0 2 398.264 3.337 20 0 GGADLN CCC(CC)c1nnc(NS(=O)(=O)c2ccc(C(=O)OC)c(C)c2)s1 ZINC000437185516 567480782 /nfs/dbraw/zinc/48/07/82/567480782.db2.gz SIGRHYAMVGLNLP-UHFFFAOYSA-N 0 2 383.495 3.338 20 0 GGADLN CCOC(=O)c1ccc(S(=O)(=O)Nc2nnc(C(CC)CC)s2)cc1 ZINC000437181113 567481063 /nfs/dbraw/zinc/48/10/63/567481063.db2.gz GISFTALACMQMKL-UHFFFAOYSA-N 0 2 383.495 3.419 20 0 GGADLN CCCCc1nnc(NS(=O)(=O)c2cc(Cl)cc(C(=O)OC)c2)s1 ZINC000437185012 567481170 /nfs/dbraw/zinc/48/11/70/567481170.db2.gz QMZAOSCNONIUCX-UHFFFAOYSA-N 0 2 389.886 3.122 20 0 GGADLN CCCc1nnc(NS(=O)(=O)c2ccc(C)cc2Br)s1 ZINC000437185384 567481384 /nfs/dbraw/zinc/48/13/84/567481384.db2.gz HEWMKXRKTQECEC-UHFFFAOYSA-N 0 2 376.301 3.362 20 0 GGADLN CCC(CC)c1nnc(NS(=O)(=O)c2ccc(N(C)C(C)=O)cc2)s1 ZINC000437192807 567481460 /nfs/dbraw/zinc/48/14/60/567481460.db2.gz DLHRLMJXOVNBCU-UHFFFAOYSA-N 0 2 382.511 3.225 20 0 GGADLN COC(=O)c1cccc(NS(=O)(=O)c2cc(Cl)sc2Cl)c1N ZINC000619855545 567484351 /nfs/dbraw/zinc/48/43/51/567484351.db2.gz HHBMHUVGIJGZHX-UHFFFAOYSA-N 0 2 381.262 3.225 20 0 GGADLN COC(=O)c1ccc(N2CCCC2)c(NS(=O)(=O)c2sccc2C)c1 ZINC000437308206 567489371 /nfs/dbraw/zinc/48/93/71/567489371.db2.gz RPCXPNGDYKSIRZ-UHFFFAOYSA-N 0 2 380.491 3.244 20 0 GGADLN O=C(Cc1ccc(NS(=O)(=O)c2cccs2)cc1)NCC1=CCCC1 ZINC000620003096 567489900 /nfs/dbraw/zinc/48/99/00/567489900.db2.gz BYWIDCMAJFRTKA-UHFFFAOYSA-N 0 2 376.503 3.318 20 0 GGADLN COC(=O)c1cc(S(=O)(=O)Nc2ncc(-c3ccccc3)s2)cs1 ZINC000437314106 567491253 /nfs/dbraw/zinc/49/12/53/567491253.db2.gz GZIQVWBKLVLTJR-UHFFFAOYSA-N 0 2 380.472 3.459 20 0 GGADLN O=C(Nc1cc(Cl)cc(Br)c1O)c1cc(F)cc2n[nH]nc21 ZINC000503528111 567491627 /nfs/dbraw/zinc/49/16/27/567491627.db2.gz ACCGJDDXMMYGHE-UHFFFAOYSA-N 0 2 385.580 3.471 20 0 GGADLN O=S(=O)(Nc1ccnn1-c1ccc(Cl)cc1)c1ccc2c(c1)COC2 ZINC000437324374 567492273 /nfs/dbraw/zinc/49/22/73/567492273.db2.gz OPXDPAPZJTYGRW-UHFFFAOYSA-N 0 2 375.837 3.357 20 0 GGADLN CCc1csc(NS(=O)(=O)c2cnn(-c3cc(Cl)ccc3OC)c2)n1 ZINC000437323365 567492466 /nfs/dbraw/zinc/49/24/66/567492466.db2.gz NTTWDOHFKSNOLG-UHFFFAOYSA-N 0 2 398.897 3.354 20 0 GGADLN CCc1nc(S(=O)(=O)Nc2nnc(C(CC)CC)s2)cn1CC1CC1 ZINC000663298890 567493063 /nfs/dbraw/zinc/49/30/63/567493063.db2.gz AZWOFCCXLWEZGU-UHFFFAOYSA-N 0 2 383.543 3.411 20 0 GGADLN COC(=O)c1cc(S(=O)(=O)Nc2ncc(Cc3ccccc3)s2)cs1 ZINC000437338010 567493115 /nfs/dbraw/zinc/49/31/15/567493115.db2.gz QFRPBJFMXZURKS-UHFFFAOYSA-N 0 2 394.499 3.383 20 0 GGADLN C[C@@H]1Cc2cc(S(=O)(=O)Nc3cc(C(F)(F)F)nn3C)cc(Cl)c2O1 ZINC000663300210 567493501 /nfs/dbraw/zinc/49/35/01/567493501.db2.gz NVYDGYIRCUMTPI-SSDOTTSWSA-N 0 2 395.790 3.217 20 0 GGADLN COC(=O)c1csc(S(=O)(=O)Nc2ccnn2-c2ccc(Cl)cc2)c1 ZINC000437339446 567493773 /nfs/dbraw/zinc/49/37/73/567493773.db2.gz UZRPLGVVAOABLG-UHFFFAOYSA-N 0 2 397.865 3.175 20 0 GGADLN CCc1nc(S(=O)(=O)Nc2nnc(-c3ccsc3)s2)cn1CC1CC1 ZINC000663299207 567493891 /nfs/dbraw/zinc/49/38/91/567493891.db2.gz GNBKQMMCPAFXQV-UHFFFAOYSA-N 0 2 395.535 3.236 20 0 GGADLN C[C@@H]1C[N@H+](Cc2ccc(C(=O)[O-])cc2Br)C[C@](C)(C(F)F)O1 ZINC000663317058 567494862 /nfs/dbraw/zinc/49/48/62/567494862.db2.gz KHPBEUFEBWPYSL-RFAUZJTJSA-N 0 2 378.213 3.392 20 0 GGADLN C[C@@H]1C[N@@H+](Cc2ccc(C(=O)[O-])cc2Br)C[C@](C)(C(F)F)O1 ZINC000663317058 567494867 /nfs/dbraw/zinc/49/48/67/567494867.db2.gz KHPBEUFEBWPYSL-RFAUZJTJSA-N 0 2 378.213 3.392 20 0 GGADLN CC(C)n1cc(S(=O)(=O)Nc2ncc(Cc3ccccc3F)s2)cn1 ZINC000437423793 567496174 /nfs/dbraw/zinc/49/61/74/567496174.db2.gz UXKNLWYSCASQML-UHFFFAOYSA-N 0 2 380.470 3.451 20 0 GGADLN CC(=O)Nc1cc(F)c(S(=O)(=O)Nc2nc(C(C)(C)C)cs2)c(F)c1 ZINC000437404361 567496649 /nfs/dbraw/zinc/49/66/49/567496649.db2.gz AJEYIICHPNRQAA-UHFFFAOYSA-N 0 2 389.449 3.478 20 0 GGADLN CCOC(=O)Cc1csc(NS(=O)(=O)c2ccccc2C(C)(C)C)n1 ZINC000437415767 567497127 /nfs/dbraw/zinc/49/71/27/567497127.db2.gz WWVALTFXVMVLHH-UHFFFAOYSA-N 0 2 382.507 3.347 20 0 GGADLN COC(=O)c1ccc(NS(=O)(=O)c2cc(C)ccc2Cl)c(N(C)C)c1 ZINC000479104038 567503291 /nfs/dbraw/zinc/50/32/91/567503291.db2.gz CJQUTGOIBUWGRI-UHFFFAOYSA-N 0 2 382.869 3.302 20 0 GGADLN CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)Nc2nc3c(s2)CCC3(C)C)s1 ZINC000643276918 567504085 /nfs/dbraw/zinc/50/40/85/567504085.db2.gz VTPALZJBEPXHLB-VIFPVBQESA-N 0 2 399.563 3.426 20 0 GGADLN CCc1ncsc1NS(=O)(=O)c1cc(C(F)(F)F)ccc1C(=O)OC ZINC000479114727 567504781 /nfs/dbraw/zinc/50/47/81/567504781.db2.gz 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GYJFVHMWRNEQMK-BKBUGSPTSA-N 0 2 397.313 3.105 20 0 GGADLN CCc1ccccc1NC(=O)C[NH2+][C@@H](C(=O)[O-])c1ccc(Br)cc1 ZINC000737273900 599790207 /nfs/dbraw/zinc/79/02/07/599790207.db2.gz FGCUWDCCFYADET-QGZVFWFLSA-N 0 2 391.265 3.366 20 0 GGADLN Cc1ccccc1NC(=O)C[NH2+][C@H](C(=O)[O-])c1ccc(Br)cc1 ZINC000738776876 599790595 /nfs/dbraw/zinc/79/05/95/599790595.db2.gz BGOZBDHNRCUTBQ-INIZCTEOSA-N 0 2 377.238 3.112 20 0 GGADLN Cc1cccc(NC(=O)C[NH2+][C@H](C(=O)[O-])c2ccc(Br)cc2)c1C ZINC000738734848 599790772 /nfs/dbraw/zinc/79/07/72/599790772.db2.gz QBPOVTOMTPGBHH-KRWDZBQOSA-N 0 2 391.265 3.420 20 0 GGADLN O=C([O-])[C@H]([NH2+]CC(=O)Nc1ccccc1Cl)c1ccc(Br)cc1 ZINC000739307278 599791004 /nfs/dbraw/zinc/79/10/04/599791004.db2.gz LJWMPXSDUGWNMC-OAHLLOKOSA-N 0 2 397.656 3.457 20 0 GGADLN CN(CC1CCCCC1)C(=O)C[NH2+][C@H](C(=O)[O-])c1ccc(Br)cc1 ZINC000737408777 599791650 /nfs/dbraw/zinc/79/16/50/599791650.db2.gz BNOVGGWYKAHZTR-KRWDZBQOSA-N 0 2 397.313 3.203 20 0 GGADLN CC(C)C[C@H](C)N(C)C(=O)C[NH2+][C@@H](C(=O)[O-])c1ccc(Br)cc1 ZINC000736404092 599791700 /nfs/dbraw/zinc/79/17/00/599791700.db2.gz QCYQKBGKOSAHHQ-BLLLJJGKSA-N 0 2 385.302 3.057 20 0 GGADLN O=C([O-])[C@@H]([NH2+]CC(=O)Nc1ccc(F)c(F)c1)c1ccccc1C(F)(F)F ZINC000739307327 599792002 /nfs/dbraw/zinc/79/20/02/599792002.db2.gz MOPIVYMKEIECGR-HNNXBMFYSA-N 0 2 388.292 3.338 20 0 GGADLN Cc1nn(C)c2ncc(C[N@@H+]3CCc4[nH]c5ccc(C(=O)[O-])cc5c4C3)cc12 ZINC000738919145 599796071 /nfs/dbraw/zinc/79/60/71/599796071.db2.gz QYPZBSCRXUXIOE-UHFFFAOYSA-N 0 2 375.432 3.015 20 0 GGADLN Cc1nn(C)c2ncc(C[N@H+]3CCc4[nH]c5ccc(C(=O)[O-])cc5c4C3)cc12 ZINC000738919145 599796074 /nfs/dbraw/zinc/79/60/74/599796074.db2.gz QYPZBSCRXUXIOE-UHFFFAOYSA-N 0 2 375.432 3.015 20 0 GGADLN Cc1c(C(=O)[O-])sc2[nH]c(C[N@@H+]3CC[C@H](c4cccc(F)c4)C3)nc(=O)c12 ZINC000738288446 599796963 /nfs/dbraw/zinc/79/69/63/599796963.db2.gz CNLRIRSUAZJYKN-LBPRGKRZSA-N 0 2 387.436 3.120 20 0 GGADLN Cc1c(C(=O)[O-])sc2[nH]c(C[N@H+]3CC[C@H](c4cccc(F)c4)C3)nc(=O)c12 ZINC000738288446 599796964 /nfs/dbraw/zinc/79/69/64/599796964.db2.gz CNLRIRSUAZJYKN-LBPRGKRZSA-N 0 2 387.436 3.120 20 0 GGADLN O=C([O-])c1ccc(N2CCCC2)c(NC(=O)NCCCCNc2cccc[nH+]2)c1 ZINC000739415541 599816316 /nfs/dbraw/zinc/81/63/16/599816316.db2.gz JIMFHCPXCUNBTP-UHFFFAOYSA-N 0 2 397.479 3.394 20 0 GGADLN O=C([O-])C[C@@H]1CCCC[N@@H+]1Cn1nc(C2CC2)n(Cc2ccco2)c1=S ZINC000739640123 599841644 /nfs/dbraw/zinc/84/16/44/599841644.db2.gz QODNNPKGNZPTGW-AWEZNQCLSA-N 0 2 376.482 3.219 20 0 GGADLN O=C([O-])C[C@@H]1CCCC[N@H+]1Cn1nc(C2CC2)n(Cc2ccco2)c1=S ZINC000739640123 599841645 /nfs/dbraw/zinc/84/16/45/599841645.db2.gz QODNNPKGNZPTGW-AWEZNQCLSA-N 0 2 376.482 3.219 20 0 GGADLN COc1ccc([C@H]([NH2+]CC(=O)Nc2ccc(SC(F)F)cc2)C(=O)[O-])cc1 ZINC000737972210 599860830 /nfs/dbraw/zinc/86/08/30/599860830.db2.gz NELVTWAYNAZZKJ-INIZCTEOSA-N 0 2 396.415 3.364 20 0 GGADLN COc1ccc([C@H]([NH2+]CC(=O)Nc2cc(Cl)ccc2Cl)C(=O)[O-])cc1 ZINC000737969457 599861648 /nfs/dbraw/zinc/86/16/48/599861648.db2.gz GVLLVIMUTRIDOL-INIZCTEOSA-N 0 2 383.231 3.356 20 0 GGADLN COc1ccc([C@H]([NH2+]CC(=O)Nc2cccc(C(F)(F)F)c2)C(=O)[O-])cc1 ZINC000737971258 599861896 /nfs/dbraw/zinc/86/18/96/599861896.db2.gz JRNHMZOVXYGGRU-INIZCTEOSA-N 0 2 382.338 3.068 20 0 GGADLN CC[C@@H](NC(=O)C[NH2+][C@H](C(=O)[O-])c1ccc(OC)cc1)c1ccc(Cl)cc1 ZINC000736911398 599862328 /nfs/dbraw/zinc/86/23/28/599862328.db2.gz VPNRGMUUSHCXQN-MJGOQNOKSA-N 0 2 390.867 3.331 20 0 GGADLN COc1ccc([C@@H]([NH2+]CC(=O)NCC2(c3ccccc3)CCCC2)C(=O)[O-])cc1 ZINC000737974659 599864234 /nfs/dbraw/zinc/86/42/34/599864234.db2.gz VUHCZZBFPJBARS-OAQYLSRUSA-N 0 2 396.487 3.039 20 0 GGADLN O=C([O-])c1ccc(S(=O)(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)cc1 ZINC000738689353 599865058 /nfs/dbraw/zinc/86/50/58/599865058.db2.gz MHGXGXMMUMNYNE-UHFFFAOYSA-N 0 2 377.809 3.025 20 0 GGADLN C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000736587085 599880344 /nfs/dbraw/zinc/88/03/44/599880344.db2.gz VCCVNZGFTJKKFI-KRWDZBQOSA-N 0 2 397.475 3.140 20 0 GGADLN Cc1cccn2cc(CC(=O)Nc3ccc(Br)cc3C(=O)[O-])[nH+]c12 ZINC000041284270 599912113 /nfs/dbraw/zinc/91/21/13/599912113.db2.gz UXNHTMZSBHEQFK-UHFFFAOYSA-N 0 2 388.221 3.285 20 0 GGADLN CC(C)c1nn(C[N@H+](C[C@@H](C)C(=O)[O-])C2CC2)c(=S)n1Cc1ccco1 ZINC000736581531 599933824 /nfs/dbraw/zinc/93/38/24/599933824.db2.gz ILXNOYQADDASDB-CYBMUJFWSA-N 0 2 378.498 3.321 20 0 GGADLN CC(C)c1nn(C[N@@H+](C[C@@H](C)C(=O)[O-])C2CC2)c(=S)n1Cc1ccco1 ZINC000736581531 599933827 /nfs/dbraw/zinc/93/38/27/599933827.db2.gz ILXNOYQADDASDB-CYBMUJFWSA-N 0 2 378.498 3.321 20 0 GGADLN CC(C)c1nn(C[N@H+](C[C@H](C)C(=O)[O-])C2CC2)c(=S)n1Cc1ccco1 ZINC000736581533 599933861 /nfs/dbraw/zinc/93/38/61/599933861.db2.gz ILXNOYQADDASDB-ZDUSSCGKSA-N 0 2 378.498 3.321 20 0 GGADLN CC(C)c1nn(C[N@@H+](C[C@H](C)C(=O)[O-])C2CC2)c(=S)n1Cc1ccco1 ZINC000736581533 599933863 /nfs/dbraw/zinc/93/38/63/599933863.db2.gz ILXNOYQADDASDB-ZDUSSCGKSA-N 0 2 378.498 3.321 20 0 GGADLN CCOc1cc(C(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)ccc1OCC(=O)[O-] ZINC000737185350 599934359 /nfs/dbraw/zinc/93/43/59/599934359.db2.gz MWCQXHOVLZENIH-UHFFFAOYSA-N 0 2 381.388 3.191 20 0 GGADLN Cc1cccc(OCc2nn(C[N@@H+](C[C@@H](C)C(=O)[O-])C3CC3)c(=S)o2)c1 ZINC000738737824 599935827 /nfs/dbraw/zinc/93/58/27/599935827.db2.gz MRLNIIZBTUGTCA-CYBMUJFWSA-N 0 2 377.466 3.236 20 0 GGADLN Cc1cccc(OCc2nn(C[N@H+](C[C@@H](C)C(=O)[O-])C3CC3)c(=S)o2)c1 ZINC000738737824 599935828 /nfs/dbraw/zinc/93/58/28/599935828.db2.gz MRLNIIZBTUGTCA-CYBMUJFWSA-N 0 2 377.466 3.236 20 0 GGADLN CC(C)[C@@H](C(=O)Nc1cccc(CSCC(=O)[O-])c1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000736805179 599951464 /nfs/dbraw/zinc/95/14/64/599951464.db2.gz ASQNKIJLVHTJIZ-KHYOSLBOSA-N 0 2 394.537 3.077 20 0 GGADLN CC(C)[C@@H](C(=O)Nc1cccc(CSCC(=O)[O-])c1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000736805179 599951466 /nfs/dbraw/zinc/95/14/66/599951466.db2.gz ASQNKIJLVHTJIZ-KHYOSLBOSA-N 0 2 394.537 3.077 20 0 GGADLN O=C([O-])c1ccc(C(=O)Nc2nc3ccccc3n2CCCn2cc[nH+]c2)s1 ZINC000740122293 599952684 /nfs/dbraw/zinc/95/26/84/599952684.db2.gz ZGPYWRSTFDULRI-UHFFFAOYSA-N 0 2 395.444 3.335 20 0 GGADLN COc1ccc(C[N@H+](C)Cn2nc(C(=O)[O-])c(Br)c2C)cc1C ZINC000737994486 599954994 /nfs/dbraw/zinc/95/49/94/599954994.db2.gz HDSCKCFSUGQVHB-UHFFFAOYSA-N 0 2 382.258 3.059 20 0 GGADLN COc1ccc(C[N@@H+](C)Cn2nc(C(=O)[O-])c(Br)c2C)cc1C ZINC000737994486 599954997 /nfs/dbraw/zinc/95/49/97/599954997.db2.gz HDSCKCFSUGQVHB-UHFFFAOYSA-N 0 2 382.258 3.059 20 0 GGADLN Cc1c(C(=O)[O-])sc2nc(C)nc(N3CC[C@H](CNc4cccc[nH+]4)C3)c12 ZINC000649388087 599957444 /nfs/dbraw/zinc/95/74/44/599957444.db2.gz AQRZOQCSFLCDBA-CYBMUJFWSA-N 0 2 383.477 3.340 20 0 GGADLN COc1cc2c(cc1OC)[C@H](CC(=O)[O-])[N@H+](Cc1cn3cc(C)ccc3n1)CC2 ZINC000581078615 599984533 /nfs/dbraw/zinc/98/45/33/599984533.db2.gz YLCMFXNXRHHFMV-SFHVURJKSA-N 0 2 395.459 3.234 20 0 GGADLN COc1cc2c(cc1OC)[C@H](CC(=O)[O-])[N@@H+](Cc1cn3cc(C)ccc3n1)CC2 ZINC000581078615 599984536 /nfs/dbraw/zinc/98/45/36/599984536.db2.gz YLCMFXNXRHHFMV-SFHVURJKSA-N 0 2 395.459 3.234 20 0 GGADLN COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])[N@H+](Cc1nc3ccccc3o1)CC2 ZINC000574644218 599985772 /nfs/dbraw/zinc/98/57/72/599985772.db2.gz CVFIIQVHHMIHOW-MRXNPFEDSA-N 0 2 382.416 3.419 20 0 GGADLN COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])[N@@H+](Cc1nc3ccccc3o1)CC2 ZINC000574644218 599985775 /nfs/dbraw/zinc/98/57/75/599985775.db2.gz CVFIIQVHHMIHOW-MRXNPFEDSA-N 0 2 382.416 3.419 20 0 GGADLN Cc1cccc(C[C@H](CNc2[nH+]cnc3c2cnn3-c2ccccc2)C(=O)[O-])c1 ZINC000738708534 600006133 /nfs/dbraw/zinc/00/61/33/600006133.db2.gz WNJUNLKOGPLNQF-QGZVFWFLSA-N 0 2 387.443 3.479 20 0 GGADLN Cc1cccc(C[C@@H](CNc2[nH+]cnc3c2cnn3-c2ccccc2)C(=O)[O-])c1 ZINC000738708530 600006145 /nfs/dbraw/zinc/00/61/45/600006145.db2.gz WNJUNLKOGPLNQF-KRWDZBQOSA-N 0 2 387.443 3.479 20 0 GGADLN COc1ccc(C)cc1C[NH+]1CCN(C(=O)Nc2ccc(C(=O)[O-])c(C)c2)CC1 ZINC000737975106 600017539 /nfs/dbraw/zinc/01/75/39/600017539.db2.gz GOKBPLBLKSTDKA-UHFFFAOYSA-N 0 2 397.475 3.360 20 0 GGADLN O=C([O-])c1ccc(C[NH+]2CCN(C(=O)c3ccc(Cl)cc3F)CC2)cc1 ZINC000263573572 600026030 /nfs/dbraw/zinc/02/60/30/600026030.db2.gz MNLSBGXZEHYBFR-UHFFFAOYSA-N 0 2 376.815 3.135 20 0 GGADLN CC(=O)N(c1nc(C[NH+]2CCC(C(=O)[O-])CC2)cs1)c1ccc(F)cc1F ZINC000736130584 600033986 /nfs/dbraw/zinc/03/39/86/600033986.db2.gz NRQXBJSQOMGKGP-UHFFFAOYSA-N 0 2 395.431 3.403 20 0 GGADLN CC[C@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cn1nc(C(=O)[O-])c2c(C)onc2c1=O ZINC000736929122 600034094 /nfs/dbraw/zinc/03/40/94/600034094.db2.gz OUMRXGIJQNAZBV-HZPDHXFCSA-N 0 2 396.447 3.007 20 0 GGADLN CC[C@H](c1ccccc1)[C@H]1CCC[N@H+]1Cn1nc(C(=O)[O-])c2c(C)onc2c1=O ZINC000736929122 600034096 /nfs/dbraw/zinc/03/40/96/600034096.db2.gz OUMRXGIJQNAZBV-HZPDHXFCSA-N 0 2 396.447 3.007 20 0 GGADLN O=C([O-])c1ccc(CCC(=O)Nc2ccccc2OCCn2cc[nH+]c2)cc1 ZINC000739259400 600041883 /nfs/dbraw/zinc/04/18/83/600041883.db2.gz BFZFQTOIFWIRMM-UHFFFAOYSA-N 0 2 379.416 3.232 20 0 GGADLN CC[N@H+](CC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-])Cc1ccc(Cl)s1 ZINC000737068777 600046439 /nfs/dbraw/zinc/04/64/39/600046439.db2.gz SVPIUXWJLUADDI-INIZCTEOSA-N 0 2 392.908 3.262 20 0 GGADLN CC[N@@H+](CC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-])Cc1ccc(Cl)s1 ZINC000737068777 600046442 /nfs/dbraw/zinc/04/64/42/600046442.db2.gz SVPIUXWJLUADDI-INIZCTEOSA-N 0 2 392.908 3.262 20 0 GGADLN COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)Nc2ccc(C(=O)[O-])cc2)c(OC)c1 ZINC000737987640 600049595 /nfs/dbraw/zinc/04/95/95/600049595.db2.gz WTJIPOCJNUIMDZ-SFHVURJKSA-N 0 2 384.432 3.178 20 0 GGADLN COc1ccc([C@@H]2CCC[N@H+]2CC(=O)Nc2ccc(C(=O)[O-])cc2)c(OC)c1 ZINC000737987640 600049599 /nfs/dbraw/zinc/04/95/99/600049599.db2.gz WTJIPOCJNUIMDZ-SFHVURJKSA-N 0 2 384.432 3.178 20 0 GGADLN O=C([O-])c1ccc(CCC(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)cc1 ZINC000740123133 600063431 /nfs/dbraw/zinc/06/34/31/600063431.db2.gz ZGXBPNGLFPYMHY-QPJJXVBHSA-N 0 2 378.472 3.175 20 0 GGADLN Cn1cccc1[C@H]1CCC[N@@H+]1CC(=O)Nc1sc2c(c1C(=O)[O-])CCCC2 ZINC000739042365 600067049 /nfs/dbraw/zinc/06/70/49/600067049.db2.gz GPCSRJRDZGGLAI-OAHLLOKOSA-N 0 2 387.505 3.439 20 0 GGADLN Cn1cccc1[C@H]1CCC[N@H+]1CC(=O)Nc1sc2c(c1C(=O)[O-])CCCC2 ZINC000739042365 600067053 /nfs/dbraw/zinc/06/70/53/600067053.db2.gz GPCSRJRDZGGLAI-OAHLLOKOSA-N 0 2 387.505 3.439 20 0 GGADLN C[C@@H]1CN(c2ccc(C(=O)[O-])cc2)CC[N@@H+]1Cn1ccc(-c2ccsc2)n1 ZINC000736827749 600074078 /nfs/dbraw/zinc/07/40/78/600074078.db2.gz VCXHSKXJBCZMHU-OAHLLOKOSA-N 0 2 382.489 3.478 20 0 GGADLN C[C@@H]1CN(c2ccc(C(=O)[O-])cc2)CC[N@H+]1Cn1ccc(-c2ccsc2)n1 ZINC000736827749 600074079 /nfs/dbraw/zinc/07/40/79/600074079.db2.gz VCXHSKXJBCZMHU-OAHLLOKOSA-N 0 2 382.489 3.478 20 0 GGADLN CC(C)C[C@@H](C)N(C)C(=O)C[NH2+][C@@](C)(C(=O)[O-])c1cccc(Br)c1 ZINC000736404303 600077070 /nfs/dbraw/zinc/07/70/70/600077070.db2.gz ZSVZOCMWQALYIM-FZKQIMNGSA-N 0 2 399.329 3.232 20 0 GGADLN C[C@]([NH2+]CC(=O)NCC1CCCCC1)(C(=O)[O-])c1cccc(Br)c1 ZINC000736663235 600080258 /nfs/dbraw/zinc/08/02/58/600080258.db2.gz XGGASPAEQITODL-GOSISDBHSA-N 0 2 397.313 3.035 20 0 GGADLN CC[C@H]1CCCCN1C(=O)C[NH2+][C@](C)(C(=O)[O-])c1cccc(Br)c1 ZINC000736942240 600080764 /nfs/dbraw/zinc/08/07/64/600080764.db2.gz SEWHGJRHIHQKDW-YJBOKZPZSA-N 0 2 397.313 3.130 20 0 GGADLN CCc1csc([C@@H]2CCC[N@H+](Cc3nc4cc(C(=O)[O-])ccc4c(=O)[nH]3)C2)n1 ZINC000737273870 600092092 /nfs/dbraw/zinc/09/20/92/600092092.db2.gz CGQXPDFNKGIFMY-CYBMUJFWSA-N 0 2 398.488 3.432 20 0 GGADLN CCc1csc([C@@H]2CCC[N@@H+](Cc3nc4cc(C(=O)[O-])ccc4c(=O)[nH]3)C2)n1 ZINC000737273870 600092095 /nfs/dbraw/zinc/09/20/95/600092095.db2.gz CGQXPDFNKGIFMY-CYBMUJFWSA-N 0 2 398.488 3.432 20 0 GGADLN Cc1nc(C2CC[NH+](Cc3nc4cc(C(=O)[O-])ccc4c(=O)[nH]3)CC2)sc1C ZINC000738849945 600092484 /nfs/dbraw/zinc/09/24/84/600092484.db2.gz KRPGYJQJNMQUAV-UHFFFAOYSA-N 0 2 398.488 3.487 20 0 GGADLN C[N@H+](CC(=O)Nc1scc(-c2ccccc2Cl)c1C(=O)[O-])[C@H]1CCOC1 ZINC000737399870 600094250 /nfs/dbraw/zinc/09/42/50/600094250.db2.gz RVAONQYTJPBICV-NSHDSACASA-N 0 2 394.880 3.426 20 0 GGADLN C[N@@H+](CC(=O)Nc1scc(-c2ccccc2Cl)c1C(=O)[O-])[C@H]1CCOC1 ZINC000737399870 600094253 /nfs/dbraw/zinc/09/42/53/600094253.db2.gz RVAONQYTJPBICV-NSHDSACASA-N 0 2 394.880 3.426 20 0 GGADLN Cc1[nH]c(C(=O)[C@H](C)N2CC[C@@H](CNc3cccc(C)[nH+]3)C2)c(C)c1C(=O)[O-] ZINC000738736415 600095284 /nfs/dbraw/zinc/09/52/84/600095284.db2.gz LHVPQSSFOHGXFP-HOTGVXAUSA-N 0 2 384.480 3.038 20 0 GGADLN Cc1[nH]c(C(=O)[C@@H](C)N2CC[C@H](CNc3cccc(C)[nH+]3)C2)c(C)c1C(=O)[O-] ZINC000738736416 600095295 /nfs/dbraw/zinc/09/52/95/600095295.db2.gz LHVPQSSFOHGXFP-HZPDHXFCSA-N 0 2 384.480 3.038 20 0 GGADLN CCC[N@@H+]1Cc2cccc(NS(=O)(=O)c3cc(F)ccc3C(=O)[O-])c2C1 ZINC000737030979 600100333 /nfs/dbraw/zinc/10/03/33/600100333.db2.gz VBEUCLIKTBEYPY-UHFFFAOYSA-N 0 2 378.425 3.050 20 0 GGADLN CCC[N@H+]1Cc2cccc(NS(=O)(=O)c3cc(F)ccc3C(=O)[O-])c2C1 ZINC000737030979 600100335 /nfs/dbraw/zinc/10/03/35/600100335.db2.gz VBEUCLIKTBEYPY-UHFFFAOYSA-N 0 2 378.425 3.050 20 0 GGADLN COc1cccc([C@H](C)[NH+]2CCN(C(=O)Nc3ccccc3C(=O)[O-])CC2)c1 ZINC000738090068 600108026 /nfs/dbraw/zinc/10/80/26/600108026.db2.gz GLQXXFIXYYPVNP-HNNXBMFYSA-N 0 2 383.448 3.304 20 0 GGADLN C[N@H+](CC(=O)Nc1cc(-c2ccccc2)nn1-c1ccccc1)C(C)(C)C(=O)[O-] ZINC000737394584 600133145 /nfs/dbraw/zinc/13/31/45/600133145.db2.gz GCEJPKFJWJPKIF-UHFFFAOYSA-N 0 2 392.459 3.273 20 0 GGADLN C[N@@H+](CC(=O)Nc1cc(-c2ccccc2)nn1-c1ccccc1)C(C)(C)C(=O)[O-] ZINC000737394584 600133148 /nfs/dbraw/zinc/13/31/48/600133148.db2.gz GCEJPKFJWJPKIF-UHFFFAOYSA-N 0 2 392.459 3.273 20 0 GGADLN Cc1ccc(C2=NN(C(=O)C[N@@H+](C)C(C)(C)C(=O)[O-])[C@H](c3ccco3)C2)cc1 ZINC000738582497 600138253 /nfs/dbraw/zinc/13/82/53/600138253.db2.gz JUJGFBVNUSZJBG-KRWDZBQOSA-N 0 2 383.448 3.061 20 0 GGADLN Cc1ccc(C2=NN(C(=O)C[N@H+](C)C(C)(C)C(=O)[O-])[C@H](c3ccco3)C2)cc1 ZINC000738582497 600138255 /nfs/dbraw/zinc/13/82/55/600138255.db2.gz JUJGFBVNUSZJBG-KRWDZBQOSA-N 0 2 383.448 3.061 20 0 GGADLN Cc1c(Br)c(C(=O)[O-])nn1C[N@@H+]1CC[C@H](c2ccccc2F)C1 ZINC000738252909 600141004 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3.181 20 0 GGADLN Cc1nc2c(s1)[C@@H]([N@H+](C)Cn1nc(C(=O)[O-])c(Br)c1C)CCC2 ZINC000738872146 600281520 /nfs/dbraw/zinc/28/15/20/600281520.db2.gz BPWABGNHULJENV-NSHDSACASA-N 0 2 399.314 3.384 20 0 GGADLN Cc1nc2c(s1)[C@@H]([N@@H+](C)Cn1nc(C(=O)[O-])c(Br)c1C)CCC2 ZINC000738872146 600281522 /nfs/dbraw/zinc/28/15/22/600281522.db2.gz BPWABGNHULJENV-NSHDSACASA-N 0 2 399.314 3.384 20 0 GGADLN CCOC[C@H]1CCC[N@H+](CC(=O)Nc2c(Cl)cc(Cl)cc2C(=O)[O-])C1 ZINC000737164311 600286428 /nfs/dbraw/zinc/28/64/28/600286428.db2.gz KVOACCVEFJCOFR-NSHDSACASA-N 0 2 389.279 3.379 20 0 GGADLN CCOC[C@H]1CCC[N@@H+](CC(=O)Nc2c(Cl)cc(Cl)cc2C(=O)[O-])C1 ZINC000737164311 600286429 /nfs/dbraw/zinc/28/64/29/600286429.db2.gz KVOACCVEFJCOFR-NSHDSACASA-N 0 2 389.279 3.379 20 0 GGADLN CC(=O)c1oc2ccccc2c1NC(=O)[C@H](C)[NH+]1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000736195877 600287694 /nfs/dbraw/zinc/28/76/94/600287694.db2.gz GJGPAHAUMWFLRF-WFASDCNBSA-N 0 2 384.432 3.149 20 0 GGADLN O=C([O-])[C@@H]1CC12CC[NH+](Cc1nc3cc(C(F)(F)F)ccc3c(=O)[nH]1)CC2 ZINC000739536590 600294903 /nfs/dbraw/zinc/29/49/03/600294903.db2.gz NNWYIOLGAYDOKG-LBPRGKRZSA-N 0 2 381.354 3.041 20 0 GGADLN Cc1cccc(Cc2cnc(NC(=O)C[NH+]3CCC4(C[C@H]4C(=O)[O-])CC3)s2)c1 ZINC000738721888 600301755 /nfs/dbraw/zinc/30/17/55/600301755.db2.gz PBUZRPXNKQLMDB-KRWDZBQOSA-N 0 2 399.516 3.168 20 0 GGADLN O=C([O-])CC[N@H+](CC(=O)Nc1ccc(F)cc1F)Cc1ccc(F)c(F)c1 ZINC000739719321 600329333 /nfs/dbraw/zinc/32/93/33/600329333.db2.gz VGFLYTWMVPJINH-UHFFFAOYSA-N 0 2 384.329 3.158 20 0 GGADLN O=C([O-])CC[N@@H+](CC(=O)Nc1ccc(F)cc1F)Cc1ccc(F)c(F)c1 ZINC000739719321 600329335 /nfs/dbraw/zinc/32/93/35/600329335.db2.gz VGFLYTWMVPJINH-UHFFFAOYSA-N 0 2 384.329 3.158 20 0 GGADLN C[C@H](c1cccnc1)[NH+]1CCN(C(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)CC1 ZINC000736726688 600340411 /nfs/dbraw/zinc/34/04/11/600340411.db2.gz WOENFEAJEXVNCH-MRXNPFEDSA-N 0 2 397.479 3.102 20 0 GGADLN O=C([O-])c1ccc(N2CCCC2)c(NC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1 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BGXRERIEKLJLET-GFCCVEGCSA-N 0 2 382.233 3.206 20 0 GGADLN CC[N@H+](CCC(=O)[O-])Cn1nc2c(Cl)cc(C(F)(F)F)cn2c1=S ZINC000737095750 600423651 /nfs/dbraw/zinc/42/36/51/600423651.db2.gz DETBYTZJGHNDCY-UHFFFAOYSA-N 0 2 382.795 3.292 20 0 GGADLN CC[N@@H+](CCC(=O)[O-])Cn1nc2c(Cl)cc(C(F)(F)F)cn2c1=S ZINC000737095750 600423652 /nfs/dbraw/zinc/42/36/52/600423652.db2.gz DETBYTZJGHNDCY-UHFFFAOYSA-N 0 2 382.795 3.292 20 0 GGADLN CC[N@H+](CCC(=O)[O-])Cn1nc(-c2ccncc2)n(-c2ccccc2)c1=S ZINC000737095749 600423884 /nfs/dbraw/zinc/42/38/84/600423884.db2.gz DECCIGLOMBLSOU-UHFFFAOYSA-N 0 2 383.477 3.219 20 0 GGADLN CC[N@@H+](CCC(=O)[O-])Cn1nc(-c2ccncc2)n(-c2ccccc2)c1=S ZINC000737095749 600423885 /nfs/dbraw/zinc/42/38/85/600423885.db2.gz DECCIGLOMBLSOU-UHFFFAOYSA-N 0 2 383.477 3.219 20 0 GGADLN O=C([O-])c1ccoc1CSc1ccccc1C(=O)N1CC(n2cc[nH+]c2)C1 ZINC000740253276 600423915 /nfs/dbraw/zinc/42/39/15/600423915.db2.gz RIQCYYOZWQBNQS-UHFFFAOYSA-N 0 2 383.429 3.164 20 0 GGADLN Cc1[nH]c(C(=O)C[N@H+]2CC=C(c3c[nH]c4ncccc34)CC2)c(C)c1C(=O)[O-] ZINC000738155073 600430839 /nfs/dbraw/zinc/43/08/39/600430839.db2.gz ZBPOLFVHNLJCMN-UHFFFAOYSA-N 0 2 378.432 3.178 20 0 GGADLN Cc1[nH]c(C(=O)C[N@@H+]2CC=C(c3c[nH]c4ncccc34)CC2)c(C)c1C(=O)[O-] ZINC000738155073 600430842 /nfs/dbraw/zinc/43/08/42/600430842.db2.gz ZBPOLFVHNLJCMN-UHFFFAOYSA-N 0 2 378.432 3.178 20 0 GGADLN O=C([O-])[C@@H]1CCC[N@@H+]1CC(=O)Nc1cc(C(F)(F)F)ccc1N1CCCCC1 ZINC000739282451 600436636 /nfs/dbraw/zinc/43/66/36/600436636.db2.gz BKEKMCVOCFWSSW-INIZCTEOSA-N 0 2 399.413 3.183 20 0 GGADLN O=C([O-])[C@@H]1CCC[N@H+]1CC(=O)Nc1cc(C(F)(F)F)ccc1N1CCCCC1 ZINC000739282451 600436637 /nfs/dbraw/zinc/43/66/37/600436637.db2.gz BKEKMCVOCFWSSW-INIZCTEOSA-N 0 2 399.413 3.183 20 0 GGADLN O=C([O-])[C@H]([NH2+][C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O)c1ccccc1 ZINC000738523740 600438198 /nfs/dbraw/zinc/43/81/98/600438198.db2.gz ZBVDXQCPLDFBGZ-JKSUJKDBSA-N 0 2 378.350 3.226 20 0 GGADLN O=C([O-])[C@H]([NH2+][C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O)c1ccc(F)cc1 ZINC000739506942 600438674 /nfs/dbraw/zinc/43/86/74/600438674.db2.gz HXIYYDPVSIJYJP-JKSUJKDBSA-N 0 2 396.340 3.365 20 0 GGADLN O=C([O-])[C@@H]1CCC[N@@H+]1CC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000262146926 600439907 /nfs/dbraw/zinc/43/99/07/600439907.db2.gz QNAMBJNSYQTSRN-NSHDSACASA-N 0 2 384.276 3.212 20 0 GGADLN O=C([O-])[C@@H]1CCC[N@H+]1CC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000262146926 600439908 /nfs/dbraw/zinc/43/99/08/600439908.db2.gz QNAMBJNSYQTSRN-NSHDSACASA-N 0 2 384.276 3.212 20 0 GGADLN O=C([O-])c1ccccc1NC(=O)C[N@@H+]1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000739284876 600441195 /nfs/dbraw/zinc/44/11/95/600441195.db2.gz XTXHCZNCZXQKCU-OAHLLOKOSA-N 0 2 384.407 3.057 20 0 GGADLN O=C([O-])c1ccccc1NC(=O)C[N@H+]1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000739284876 600441198 /nfs/dbraw/zinc/44/11/98/600441198.db2.gz XTXHCZNCZXQKCU-OAHLLOKOSA-N 0 2 384.407 3.057 20 0 GGADLN Cc1ccc(C(=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000738533893 600441508 /nfs/dbraw/zinc/44/15/08/600441508.db2.gz WAEOTIPCYJAEAB-QGZVFWFLSA-N 0 2 398.434 3.366 20 0 GGADLN Cc1ccc(C(=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000738533893 600441510 /nfs/dbraw/zinc/44/15/10/600441510.db2.gz WAEOTIPCYJAEAB-QGZVFWFLSA-N 0 2 398.434 3.366 20 0 GGADLN O=C([O-])C1([NH2+]Cc2nc(-c3ccc(Br)s3)no2)CCCCC1 ZINC000739520223 600441820 /nfs/dbraw/zinc/44/18/20/600441820.db2.gz PUEJFBBSOCXOMQ-UHFFFAOYSA-N 0 2 386.271 3.438 20 0 GGADLN COc1cc(-c2noc(C[NH2+]C3(C(=O)[O-])CCCCC3)n2)ccc1OC(F)F ZINC000737845013 600460220 /nfs/dbraw/zinc/46/02/20/600460220.db2.gz DSJOFGAGTDAGRX-UHFFFAOYSA-N 0 2 397.378 3.224 20 0 GGADLN CC(C)(C)c1cc(C(=O)[O-])c(NC(=O)N2CCN(c3cccc[nH+]3)CC2)s1 ZINC000736293433 600469385 /nfs/dbraw/zinc/46/93/85/600469385.db2.gz AZJBNZYKZGDAQA-UHFFFAOYSA-N 0 2 388.493 3.493 20 0 GGADLN O=C([O-])c1ccc2[nH]c3c(c2c1)CN(C(=O)Nc1ccc2[nH+]ccn2c1)CC3 ZINC000740185690 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3.120 20 0 GGADLN Cc1ccc2[nH+]c(CSCC(=O)N3C[C@@H](CC(=O)[O-])c4ccccc43)cn2c1 ZINC000738676920 600910510 /nfs/dbraw/zinc/91/05/10/600910510.db2.gz JBDZMDGKXPARIC-OAHLLOKOSA-N 0 2 395.484 3.481 20 0 GGADLN O=C([O-])[C@@H]1CCC[C@H](C(=O)Nc2nc3ccccc3n2CCCn2cc[nH+]c2)C1 ZINC000833188964 600931370 /nfs/dbraw/zinc/93/13/70/600931370.db2.gz PJXLEHAWFHVARQ-JKSUJKDBSA-N 0 2 395.463 3.153 20 0 GGADLN O=C([O-])[C@@H]1CCC[C@H](C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)C1 ZINC000833183548 600945384 /nfs/dbraw/zinc/94/53/84/600945384.db2.gz XWLOULNVFYLOGS-JJRVBVJISA-N 0 2 396.890 3.451 20 0 GGADLN O=C([O-])[C@@H]1CCC[C@H](C(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)C1 ZINC000833183548 600945385 /nfs/dbraw/zinc/94/53/85/600945385.db2.gz XWLOULNVFYLOGS-JJRVBVJISA-N 0 2 396.890 3.451 20 0 GGADLN Cc1cc(S(=O)(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)ccc1C(=O)[O-] ZINC000832903805 600976951 /nfs/dbraw/zinc/97/69/51/600976951.db2.gz WYLHEZTYLUUPCV-UHFFFAOYSA-N 0 2 391.836 3.333 20 0 GGADLN O=C([O-])c1cc(S(=O)(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)cs1 ZINC000833303996 600977425 /nfs/dbraw/zinc/97/74/25/600977425.db2.gz GBLUKDBQEXDIRH-UHFFFAOYSA-N 0 2 383.838 3.086 20 0 GGADLN CCc1nc(C)c([C@@H](C)[N@H+](C)CC(=O)N(C)c2ccccc2C(=O)[O-])s1 ZINC000737281165 600978927 /nfs/dbraw/zinc/97/89/27/600978927.db2.gz GUQLXIVEDWZIPO-CYBMUJFWSA-N 0 2 375.494 3.368 20 0 GGADLN CCc1nc(C)c([C@@H](C)[N@@H+](C)CC(=O)N(C)c2ccccc2C(=O)[O-])s1 ZINC000737281165 600978929 /nfs/dbraw/zinc/97/89/29/600978929.db2.gz GUQLXIVEDWZIPO-CYBMUJFWSA-N 0 2 375.494 3.368 20 0 GGADLN O=C([O-])c1cc(Cl)cc(S(=O)(=O)Nc2cccc(-n3cc[nH+]c3)c2)c1 ZINC000833297971 600982954 /nfs/dbraw/zinc/98/29/54/600982954.db2.gz YZGWVTSHVRMIQT-UHFFFAOYSA-N 0 2 377.809 3.025 20 0 GGADLN O=C([O-])[C@H]([NH2+]CC(=O)Nc1ncc(Cc2ccc(F)cc2)s1)c1ccccc1 ZINC000833109910 600997051 /nfs/dbraw/zinc/99/70/51/600997051.db2.gz CTKJITMREIRDJY-GOSISDBHSA-N 0 2 399.447 3.227 20 0 GGADLN CC(C)C[C@@H](CNC(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1)C(=O)[O-] ZINC000424461784 600997981 /nfs/dbraw/zinc/99/79/81/600997981.db2.gz ALQCGYVWTIMXTN-KBPBESRZSA-N 0 2 382.530 3.243 20 0 GGADLN CC(C)C[C@@H](CNC(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1)C(=O)[O-] ZINC000424461784 600997984 /nfs/dbraw/zinc/99/79/84/600997984.db2.gz ALQCGYVWTIMXTN-KBPBESRZSA-N 0 2 382.530 3.243 20 0 GGADLN CC(C)C[C@H](CNC(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1)C(=O)[O-] ZINC000424461789 600998060 /nfs/dbraw/zinc/99/80/60/600998060.db2.gz ALQCGYVWTIMXTN-UONOGXRCSA-N 0 2 382.530 3.243 20 0 GGADLN CC(C)C[C@H](CNC(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1)C(=O)[O-] ZINC000424461789 600998063 /nfs/dbraw/zinc/99/80/63/600998063.db2.gz ALQCGYVWTIMXTN-UONOGXRCSA-N 0 2 382.530 3.243 20 0 GGADLN O=C([O-])[C@H](c1ccccc1F)[NH+]1CCN(C(=O)c2c(F)cccc2Cl)CC1 ZINC000833173764 600998110 /nfs/dbraw/zinc/99/81/10/600998110.db2.gz HLLGMZMIHDHTSE-KRWDZBQOSA-N 0 2 394.805 3.202 20 0 GGADLN CCN(C(=O)C[NH2+][C@@H](C(=O)[O-])c1ccccc1C(F)(F)F)c1ccccc1 ZINC000829596967 600998730 /nfs/dbraw/zinc/99/87/30/600998730.db2.gz FRZRBMAHACKRBX-QGZVFWFLSA-N 0 2 380.366 3.474 20 0 GGADLN CC[C@@]([NH2+]CC(=O)N(C)c1nc2ccccc2s1)(C(=O)[O-])c1ccccc1 ZINC000828983657 601003471 /nfs/dbraw/zinc/00/34/71/601003471.db2.gz ZIUYDEJWDGJQLT-FQEVSTJZSA-N 0 2 383.473 3.239 20 0 GGADLN COc1ccc([C@@H]([NH2+]CC(=O)N(Cc2ccccc2)C(C)(C)C)C(=O)[O-])cc1 ZINC000832244243 601004729 /nfs/dbraw/zinc/00/47/29/601004729.db2.gz BCJDHZIOSCQKFN-HXUWFJFHSA-N 0 2 384.476 3.238 20 0 GGADLN C[C@@H](NC(=O)Nc1ccc(OCC(=O)[O-])cc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000827681825 601005002 /nfs/dbraw/zinc/00/50/02/601005002.db2.gz QZILXNUMSBSADC-CQSZACIVSA-N 0 2 380.404 3.218 20 0 GGADLN C[C@@H](NC(=O)Nc1cccc(OCC(=O)[O-])c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000827682246 601017769 /nfs/dbraw/zinc/01/77/69/601017769.db2.gz UZEBRLXHJVLXBW-CQSZACIVSA-N 0 2 380.404 3.218 20 0 GGADLN CC(C)C[C@H](CNC(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1)C(=O)[O-] ZINC000424464414 601019170 /nfs/dbraw/zinc/01/91/70/601019170.db2.gz DGYQFUXVHVUCLF-SOLBZPMBSA-N 0 2 391.512 3.164 20 0 GGADLN CC(C)C[C@H](CNC(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C(=O)[O-] ZINC000424464414 601019174 /nfs/dbraw/zinc/01/91/74/601019174.db2.gz DGYQFUXVHVUCLF-SOLBZPMBSA-N 0 2 391.512 3.164 20 0 GGADLN O=C([O-])C[C@@H]1CSCC[N@@H+]1Cc1nnc(-c2c(Cl)cccc2Cl)o1 ZINC000833223890 601019754 /nfs/dbraw/zinc/01/97/54/601019754.db2.gz XYPVTEOOGLLZPG-SECBINFHSA-N 0 2 388.276 3.436 20 0 GGADLN O=C([O-])C[C@@H]1CSCC[N@H+]1Cc1nnc(-c2c(Cl)cccc2Cl)o1 ZINC000833223890 601019758 /nfs/dbraw/zinc/01/97/58/601019758.db2.gz XYPVTEOOGLLZPG-SECBINFHSA-N 0 2 388.276 3.436 20 0 GGADLN CC(C)c1cnc(C[N@H+](C)[C@H]2CCN([C@H](C(=O)[O-])c3ccccc3F)C2)o1 ZINC000827138992 601027897 /nfs/dbraw/zinc/02/78/97/601027897.db2.gz ANENSMKWSQWIKE-LIRRHRJNSA-N 0 2 375.444 3.269 20 0 GGADLN CC(C)c1cnc(C[N@@H+](C)[C@H]2CCN([C@H](C(=O)[O-])c3ccccc3F)C2)o1 ZINC000827138992 601027901 /nfs/dbraw/zinc/02/79/01/601027901.db2.gz ANENSMKWSQWIKE-LIRRHRJNSA-N 0 2 375.444 3.269 20 0 GGADLN Cc1nc(C(C)(C)[NH2+]Cc2nc(=O)c3c(C)c(C(=O)[O-])sc3[nH]2)sc1C ZINC000832994726 601043357 /nfs/dbraw/zinc/04/33/57/601043357.db2.gz YUFKZRNQSBYLLQ-UHFFFAOYSA-N 0 2 392.506 3.089 20 0 GGADLN Cn1cc[nH+]c1C[C@@H](NC(=O)Nc1ccc(C(=O)[O-])cc1F)c1ccccc1 ZINC000821304732 601044569 /nfs/dbraw/zinc/04/45/69/601044569.db2.gz DLHRJXGCOYBOIS-QGZVFWFLSA-N 0 2 382.395 3.363 20 0 GGADLN Cn1cc[nH+]c1C[C@H](NC(=O)Nc1ccc(CNC(=O)[O-])cc1)c1ccccc1 ZINC000833059105 601053624 /nfs/dbraw/zinc/05/36/24/601053624.db2.gz VTNRIAVFGVCQDY-SFHVURJKSA-N 0 2 393.447 3.293 20 0 GGADLN C[C@@H](C[N@@H+](Cc1ccccc1)Cn1nc(-c2ccc(F)cc2)ccc1=O)C(=O)[O-] ZINC000736583468 601088642 /nfs/dbraw/zinc/08/86/42/601088642.db2.gz ROHKAVIRGKGPCZ-INIZCTEOSA-N 0 2 395.434 3.230 20 0 GGADLN C[C@@H](C[N@H+](Cc1ccccc1)Cn1nc(-c2ccc(F)cc2)ccc1=O)C(=O)[O-] ZINC000736583468 601088645 /nfs/dbraw/zinc/08/86/45/601088645.db2.gz ROHKAVIRGKGPCZ-INIZCTEOSA-N 0 2 395.434 3.230 20 0 GGADLN COC(=O)c1cc(NC(=O)[C@@H](C)[N@@H+]2Cc3ccccc3[C@@H]2C)cc(C(=O)[O-])c1 ZINC000831257801 601117550 /nfs/dbraw/zinc/11/75/50/601117550.db2.gz LHWTWRNWSFVYSY-QWHCGFSZSA-N 0 2 382.416 3.075 20 0 GGADLN COC(=O)c1cc(NC(=O)[C@@H](C)[N@H+]2Cc3ccccc3[C@@H]2C)cc(C(=O)[O-])c1 ZINC000831257801 601117551 /nfs/dbraw/zinc/11/75/51/601117551.db2.gz LHWTWRNWSFVYSY-QWHCGFSZSA-N 0 2 382.416 3.075 20 0 GGADLN Cc1cccn2cc(CCNC(=O)Nc3cccc(CSCC(=O)[O-])c3)[nH+]c12 ZINC000832981515 601133081 /nfs/dbraw/zinc/13/30/81/601133081.db2.gz BDZNGXDPNFUJDK-UHFFFAOYSA-N 0 2 398.488 3.325 20 0 GGADLN C/C(=C\C[NH+]1CCN(C(=O)c2ccc(OCc3ccccc3)cc2)CC1)C(=O)[O-] ZINC000825741518 601156843 /nfs/dbraw/zinc/15/68/43/601156843.db2.gz OTVVHRSXNYBLTB-WOJGMQOQSA-N 0 2 394.471 3.054 20 0 GGADLN Cc1c(C(=O)[O-])sc2[nH]c(C[N@@H+]3CCSC4(CCCCC4)C3)nc(=O)c12 ZINC000832852953 601157504 /nfs/dbraw/zinc/15/75/04/601157504.db2.gz CYVZTRZSLXLTCR-UHFFFAOYSA-N 0 2 393.534 3.243 20 0 GGADLN Cc1c(C(=O)[O-])sc2[nH]c(C[N@H+]3CCSC4(CCCCC4)C3)nc(=O)c12 ZINC000832852953 601157505 /nfs/dbraw/zinc/15/75/05/601157505.db2.gz CYVZTRZSLXLTCR-UHFFFAOYSA-N 0 2 393.534 3.243 20 0 GGADLN Cc1ccc(C(=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@H]1CC(=O)c1cccs1 ZINC000832914715 601200671 /nfs/dbraw/zinc/20/06/71/601200671.db2.gz FCZHSQZQVOOUCD-HNNXBMFYSA-N 0 2 386.473 3.431 20 0 GGADLN Cc1ccc(C(=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@H]1CC(=O)c1cccs1 ZINC000832914715 601200673 /nfs/dbraw/zinc/20/06/73/601200673.db2.gz FCZHSQZQVOOUCD-HNNXBMFYSA-N 0 2 386.473 3.431 20 0 GGADLN Cc1ccc([C@@H](C[NH+]2CCOCC2)Nc2nc(Cl)c(C(=O)[O-])s2)cc1 ZINC000832921364 601246145 /nfs/dbraw/zinc/24/61/45/601246145.db2.gz KKFAGMGRDNWXRC-CYBMUJFWSA-N 0 2 381.885 3.289 20 0 GGADLN Cc1cc(C(=O)[O-])cc(S(=O)(=O)N[C@@H](C)c2cccc(-n3cc[nH+]c3)c2)c1C ZINC000544941770 601255566 /nfs/dbraw/zinc/25/55/66/601255566.db2.gz BZDBMTDODCHFKS-HNNXBMFYSA-N 0 2 399.472 3.227 20 0 GGADLN Cn1cc([C@@H]2C[N@H+](Cc3c(C(=O)[O-])sc4cccc(F)c43)CCO2)cn1 ZINC000569817857 601325851 /nfs/dbraw/zinc/32/58/51/601325851.db2.gz BJNWSRKQQLQULV-AWEZNQCLSA-N 0 2 375.425 3.046 20 0 GGADLN Cn1cc([C@@H]2C[N@@H+](Cc3c(C(=O)[O-])sc4cccc(F)c43)CCO2)cn1 ZINC000569817857 601325852 /nfs/dbraw/zinc/32/58/52/601325852.db2.gz BJNWSRKQQLQULV-AWEZNQCLSA-N 0 2 375.425 3.046 20 0 GGADLN CCC[N@@H+]1Cc2cccc(NS(=O)(=O)c3ccc(/C=C\C(=O)[O-])cc3)c2C1 ZINC000829508563 601330575 /nfs/dbraw/zinc/33/05/75/601330575.db2.gz VDCKGKGVGZAVCK-FLIBITNWSA-N 0 2 386.473 3.311 20 0 GGADLN CCC[N@H+]1Cc2cccc(NS(=O)(=O)c3ccc(/C=C\C(=O)[O-])cc3)c2C1 ZINC000829508563 601330576 /nfs/dbraw/zinc/33/05/76/601330576.db2.gz VDCKGKGVGZAVCK-FLIBITNWSA-N 0 2 386.473 3.311 20 0 GGADLN C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)CO[NH+]=C(N)c1cccc(C(=O)[O-])c1 ZINC000827212227 601351248 /nfs/dbraw/zinc/35/12/48/601351248.db2.gz DERIXJVMZSUJPC-HNNXBMFYSA-N 0 2 395.459 3.059 20 0 GGADLN Cc1ccc(C(=O)[O-])cc1NC(=O)C[N@@H+](C)[C@@H](C)c1ccc([S@@](C)=O)cc1 ZINC000832915547 601355330 /nfs/dbraw/zinc/35/53/30/601355330.db2.gz KDFHTHLULNDPDT-PGGUUEOZSA-N 0 2 388.489 3.062 20 0 GGADLN 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Cc1cc(C(=O)C[N@H+]2CCCC[C@@H]2C(=O)[O-])c(C)n1Cc1ccc2c(c1)OCO2 ZINC000832857814 601598412 /nfs/dbraw/zinc/59/84/12/601598412.db2.gz BJIWBMIAHOPKOB-GOSISDBHSA-N 0 2 398.459 3.004 20 0 GGADLN Cc1ccc2[nH+]c(CSCC(=O)N[C@H](c3ccccc3)[C@H](C)C(=O)[O-])cn2c1 ZINC000832961046 601608231 /nfs/dbraw/zinc/60/82/31/601608231.db2.gz ZIAAMFHGZHZKBW-YWZLYKJASA-N 0 2 397.500 3.454 20 0 GGADLN C[N@H+](CC(=O)Nc1ccccc1Br)Cc1ccc(C(=O)[O-])c(F)c1 ZINC000830683802 601614177 /nfs/dbraw/zinc/61/41/77/601614177.db2.gz KHKFQPZUAHVZJR-UHFFFAOYSA-N 0 2 395.228 3.357 20 0 GGADLN C[N@@H+](CC(=O)Nc1ccccc1Br)Cc1ccc(C(=O)[O-])c(F)c1 ZINC000830683802 601614178 /nfs/dbraw/zinc/61/41/78/601614178.db2.gz KHKFQPZUAHVZJR-UHFFFAOYSA-N 0 2 395.228 3.357 20 0 GGADLN O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1CC(=O)Nc1nc(-c2ccco2)cs1 ZINC000833106514 601619172 /nfs/dbraw/zinc/61/91/72/601619172.db2.gz PESGVZYGQOKXHZ-UBHSHLNASA-N 0 2 375.450 3.059 20 0 GGADLN O=C([O-])[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1CC(=O)Nc1nc(-c2ccco2)cs1 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VLXFYKZAXXPJNH-UHFFFAOYSA-N 0 2 388.489 3.466 20 0 GGADLN CC(C)C[C@H](CNC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2)C(=O)[O-] ZINC000424377459 604660023 /nfs/dbraw/zinc/66/00/23/604660023.db2.gz DNJCTLLVXLXXTA-MRXNPFEDSA-N 0 2 382.464 3.470 20 0 GGADLN O=C([O-])C[C@@H]1CCCN1C(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000833207244 604752103 /nfs/dbraw/zinc/75/21/03/604752103.db2.gz KXCMTUZNBWVCDG-DOTOQJQBSA-N 0 2 395.297 3.052 20 0 GGADLN O=C([O-])c1cc(Cl)cc(Cl)c1NC(=O)CN1CCC[C@H](n2cc[nH+]c2)C1 ZINC000833104995 604754415 /nfs/dbraw/zinc/75/44/15/604754415.db2.gz HMTRHXVINIDIPQ-LBPRGKRZSA-N 0 2 397.262 3.164 20 0 GGADLN O=C([O-])c1cc(Cl)cc(Cl)c1NC(=O)CN1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000833104993 604754689 /nfs/dbraw/zinc/75/46/89/604754689.db2.gz HMTRHXVINIDIPQ-GFCCVEGCSA-N 0 2 397.262 3.164 20 0 GGADLN O=C([O-])[C@H](O)C1CC[NH+](Cc2cc(Br)cc(C(F)(F)F)c2)CC1 ZINC000833770706 604762729 /nfs/dbraw/zinc/76/27/29/604762729.db2.gz LXKYVRKRYHKUSM-CYBMUJFWSA-N 0 2 396.203 3.125 20 0 GGADLN Cn1c(-c2ccncc2)nn(C[N@H+](CCCC(=O)[O-])Cc2ccccc2)c1=S ZINC000833037563 604764616 /nfs/dbraw/zinc/76/46/16/604764616.db2.gz GJECGMUUNVZOFT-UHFFFAOYSA-N 0 2 397.504 3.338 20 0 GGADLN Cn1c(-c2ccncc2)nn(C[N@@H+](CCCC(=O)[O-])Cc2ccccc2)c1=S ZINC000833037563 604764619 /nfs/dbraw/zinc/76/46/19/604764619.db2.gz GJECGMUUNVZOFT-UHFFFAOYSA-N 0 2 397.504 3.338 20 0 GGADLN O=C([O-])CCC[N@@H+](Cc1ccccc1)Cn1nnn(-c2ccccc2)c1=S ZINC000833226950 604765370 /nfs/dbraw/zinc/76/53/70/604765370.db2.gz WSHJOHWSUSVZFQ-UHFFFAOYSA-N 0 2 383.477 3.123 20 0 GGADLN O=C([O-])CCC[N@H+](Cc1ccccc1)Cn1nnn(-c2ccccc2)c1=S ZINC000833226950 604765372 /nfs/dbraw/zinc/76/53/72/604765372.db2.gz WSHJOHWSUSVZFQ-UHFFFAOYSA-N 0 2 383.477 3.123 20 0 GGADLN O=C([O-])CCC[N@@H+](Cc1ccccc1)Cn1nc(-c2ccc(F)cc2)ccc1=O ZINC000833226956 604765519 /nfs/dbraw/zinc/76/55/19/604765519.db2.gz XFGFBGDAAUIOFW-UHFFFAOYSA-N 0 2 395.434 3.374 20 0 GGADLN O=C([O-])CCC[N@H+](Cc1ccccc1)Cn1nc(-c2ccc(F)cc2)ccc1=O ZINC000833226956 604765520 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GGADLN Cc1cc(CNc2ccc(N3C[C@H](C)O[C@@H](C)C3)[nH+]c2)cc(C)c1OCC(=O)[O-] ZINC000832886607 604807129 /nfs/dbraw/zinc/80/71/29/604807129.db2.gz VJWGRNBPZRSRGE-IRXDYDNUSA-N 0 2 399.491 3.388 20 0 GGADLN CC(C)c1cnc(C[N@H+](C)[C@H]2CCN(c3nc(Cl)c(C(=O)[O-])s3)C2)o1 ZINC000833511325 604831935 /nfs/dbraw/zinc/83/19/35/604831935.db2.gz MIMAUBPWTKOUPV-JTQLQIEISA-N 0 2 384.889 3.317 20 0 GGADLN CC(C)c1cnc(C[N@@H+](C)[C@H]2CCN(c3nc(Cl)c(C(=O)[O-])s3)C2)o1 ZINC000833511325 604831936 /nfs/dbraw/zinc/83/19/36/604831936.db2.gz MIMAUBPWTKOUPV-JTQLQIEISA-N 0 2 384.889 3.317 20 0 GGADLN C[C@@H](C(=O)Nc1ccccc1OC(F)F)[N@@H+]1CCc2ccc(C(=O)[O-])cc2C1 ZINC000833409095 604844414 /nfs/dbraw/zinc/84/44/14/604844414.db2.gz JLHSBORBOFLWTM-LBPRGKRZSA-N 0 2 390.386 3.372 20 0 GGADLN C[C@@H](C(=O)Nc1ccccc1OC(F)F)[N@H+]1CCc2ccc(C(=O)[O-])cc2C1 ZINC000833409095 604844418 /nfs/dbraw/zinc/84/44/18/604844418.db2.gz JLHSBORBOFLWTM-LBPRGKRZSA-N 0 2 390.386 3.372 20 0 GGADLN C[C@@H](OCCCNC(=O)C[N@@H+]1CCc2ccc(C(=O)[O-])cc2C1)c1ccccc1 ZINC000833535424 604847510 /nfs/dbraw/zinc/84/75/10/604847510.db2.gz IOPBDTOJDVIYDM-QGZVFWFLSA-N 0 2 396.487 3.027 20 0 GGADLN C[C@@H](OCCCNC(=O)C[N@H+]1CCc2ccc(C(=O)[O-])cc2C1)c1ccccc1 ZINC000833535424 604847513 /nfs/dbraw/zinc/84/75/13/604847513.db2.gz IOPBDTOJDVIYDM-QGZVFWFLSA-N 0 2 396.487 3.027 20 0 GGADLN O=C([O-])COc1ccc(NC(=O)c2cccc(Cn3cc[nH+]c3)c2)cc1Cl ZINC000833258135 604902398 /nfs/dbraw/zinc/90/23/98/604902398.db2.gz AFHWXEGJXNDNRG-UHFFFAOYSA-N 0 2 385.807 3.301 20 0 GGADLN C[C@@H](C(=O)N(c1nccs1)C1CCCCC1)[N@@H+]1CCSC[C@@H]1CC(=O)[O-] ZINC000833402802 604917428 /nfs/dbraw/zinc/91/74/28/604917428.db2.gz WUNNBQMGEADSFZ-ZFWWWQNUSA-N 0 2 397.566 3.089 20 0 GGADLN C[C@@H](C(=O)N(c1nccs1)C1CCCCC1)[N@H+]1CCSC[C@@H]1CC(=O)[O-] ZINC000833402802 604917431 /nfs/dbraw/zinc/91/74/31/604917431.db2.gz WUNNBQMGEADSFZ-ZFWWWQNUSA-N 0 2 397.566 3.089 20 0 GGADLN C[C@@H]1CCN(C(=O)Nc2ccc(OCC(=O)[O-])c(Cl)c2)C[C@H]1n1cc[nH+]c1 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384.392 3.467 20 0 GGADLN O=S(=O)(Nc1cccc(CCC(F)(F)F)c1)c1cnn([C@@H]2CCOC2)c1 ZINC000132915098 1416830623 /nfs/dbraw/zinc/83/06/23/1416830623.db2.gz ASBVOJJUWIZYSS-CQSZACIVSA-N 0 2 389.399 3.140 20 0 GGADLN CCn1c(=O)c2ccc(C(=O)Nc3cc(-c4cccs4)[nH]n3)cc2[nH]c1=S ZINC000133015099 1416842126 /nfs/dbraw/zinc/84/21/26/1416842126.db2.gz SKQNTNXWOYSKKA-UHFFFAOYSA-N 0 2 397.485 3.409 20 0 GGADLN Cc1nn(C)c(C)c1S(=O)(=O)Nc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000133209912 1416864739 /nfs/dbraw/zinc/86/47/39/1416864739.db2.gz XCZNUTVZNCYHIW-UHFFFAOYSA-N 0 2 384.461 3.090 20 0 GGADLN Cc1nn(C)c(C)c1S(=O)(=O)Nc1ccc(NC(=O)c2cccs2)cc1 ZINC000133227447 1416867223 /nfs/dbraw/zinc/86/72/23/1416867223.db2.gz WVHIYECAKZUXDC-UHFFFAOYSA-N 0 2 390.490 3.152 20 0 GGADLN Cc1nn(C)c(C)c1S(=O)(=O)Nc1ccccc1NC(=O)c1cccs1 ZINC000133246685 1416869690 /nfs/dbraw/zinc/86/96/90/1416869690.db2.gz DCDWIIKBXLHXQD-UHFFFAOYSA-N 0 2 390.490 3.152 20 0 GGADLN Cc1nn(C)c(C)c1S(=O)(=O)Nc1ccc(C)c(NC(=O)C(C)(C)C)c1 ZINC000133378214 1416883991 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O=C([N-]O[C@@H]1CCCCO1)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000135224802 1417191212 /nfs/dbraw/zinc/19/12/12/1417191212.db2.gz PHPBHWXNTSYLMF-CVEARBPZSA-N 0 2 383.286 3.160 20 0 GGADLN O=C([N-]O[C@H]1CCCCO1)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000135224855 1417191432 /nfs/dbraw/zinc/19/14/32/1417191432.db2.gz PHPBHWXNTSYLMF-JKSUJKDBSA-N 0 2 383.286 3.160 20 0 GGADLN Cc1cc(C)nc(-n2nccc2NS(=O)(=O)c2ccccc2C(C)(C)C)n1 ZINC000135249700 1417196345 /nfs/dbraw/zinc/19/63/45/1417196345.db2.gz HRJJVOPCTAFTBL-UHFFFAOYSA-N 0 2 385.493 3.377 20 0 GGADLN Cc1cc(C)nc(-n2nccc2NS(=O)(=O)c2ccc(C(F)(F)F)cc2)n1 ZINC000135250281 1417196778 /nfs/dbraw/zinc/19/67/78/1417196778.db2.gz QCXONXNTDNJIDN-UHFFFAOYSA-N 0 2 397.382 3.099 20 0 GGADLN CC(=O)Nc1cc(S(=O)(=O)Nc2cnc(-c3ccccc3)nc2)ccc1F ZINC000135295866 1417204908 /nfs/dbraw/zinc/20/49/08/1417204908.db2.gz RZZGCEWNGUPBFI-UHFFFAOYSA-N 0 2 386.408 3.042 20 0 GGADLN CCC(=O)c1cccc(NS(=O)(=O)c2cnn(-c3ccccc3OC)c2)c1 ZINC000135390585 1417214021 /nfs/dbraw/zinc/21/40/21/1417214021.db2.gz FLKOBXZMXIFVBM-UHFFFAOYSA-N 0 2 385.445 3.274 20 0 GGADLN C[C@@H]1CCC[C@H](CC(=O)Nc2ccc(S(=O)(=O)Nc3nncs3)cc2)C1 ZINC000135406402 1417215720 /nfs/dbraw/zinc/21/57/20/1417215720.db2.gz LEKVXVZJZHKUSN-OLZOCXBDSA-N 0 2 394.522 3.494 20 0 GGADLN CC(C)CC1(C(=O)Nc2ccc(S(=O)(=O)Nc3nncs3)cc2)CCC1 ZINC000135405765 1417215768 /nfs/dbraw/zinc/21/57/68/1417215768.db2.gz JTKHUVXOWDCAPH-UHFFFAOYSA-N 0 2 394.522 3.494 20 0 GGADLN C[C@H]1CCC[C@H](CC(=O)Nc2ccc(S(=O)(=O)Nc3nncs3)cc2)C1 ZINC000135406425 1417216026 /nfs/dbraw/zinc/21/60/26/1417216026.db2.gz LEKVXVZJZHKUSN-STQMWFEESA-N 0 2 394.522 3.494 20 0 GGADLN COc1ccc(OC)c(S(=O)(=O)Nc2ccc3[nH]c(C(F)F)nc3c2)c1 ZINC000135516974 1417231808 /nfs/dbraw/zinc/23/18/08/1417231808.db2.gz YZZDTZYCHYPZIH-UHFFFAOYSA-N 0 2 383.376 3.319 20 0 GGADLN CCn1c(=O)c2ccc(C(=O)Nc3cc(C4CCCC4)[nH]n3)cc2[nH]c1=S ZINC000135689323 1417258252 /nfs/dbraw/zinc/25/82/52/1417258252.db2.gz XQBDAXGNURAFEU-UHFFFAOYSA-N 0 2 383.477 3.338 20 0 GGADLN COc1ccc(-c2nnc(NS(=O)(=O)c3ccc(Cl)nc3)s2)cc1 ZINC000135992726 1417284447 /nfs/dbraw/zinc/28/44/47/1417284447.db2.gz RYYGVNVWLWRDSO-UHFFFAOYSA-N 0 2 382.854 3.063 20 0 GGADLN COCc1cccc(S(=O)(=O)Nc2cnn(-c3ccccc3F)c2C)c1 ZINC000178803718 1429174994 /nfs/dbraw/zinc/17/49/94/1429174994.db2.gz VHJOVQMZGKEWSI-UHFFFAOYSA-N 0 2 375.425 3.267 20 0 GGADLN Cc1cc(F)ccc1N1CC(=O)C(C(=O)N(C)Cc2cc(Cl)cn2C)=N1 ZINC000137013033 1417362502 /nfs/dbraw/zinc/36/25/02/1417362502.db2.gz CGUCYWMVQMDRHW-UHFFFAOYSA-N 0 2 376.819 3.290 20 0 GGADLN COc1cccc(CN(C)Cc2nc(=O)c3sccc3[nH]2)c1OC(F)F ZINC000137019886 1417362740 /nfs/dbraw/zinc/36/27/40/1417362740.db2.gz FNYYEKHBQDVSSE-UHFFFAOYSA-N 0 2 381.404 3.227 20 0 GGADLN Cc1cc(NS(=O)(=O)c2cnn(C3CCOCC3)c2)c2cccnc2c1C ZINC000137181440 1417373432 /nfs/dbraw/zinc/37/34/32/1417373432.db2.gz NCYISEZAFMTJFV-UHFFFAOYSA-N 0 2 386.477 3.200 20 0 GGADLN CC(C)N(C)c1ccc(NS(=O)(=O)c2cnn(C3CCOCC3)c2)cc1F ZINC000137178959 1417373469 /nfs/dbraw/zinc/37/34/69/1417373469.db2.gz 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O=C(NCc1nnc(COc2ccccc2)[nH]1)c1cccn1Cc1cccs1 ZINC000186663292 1431484571 /nfs/dbraw/zinc/48/45/71/1431484571.db2.gz VSLDXBHGKJYDOC-UHFFFAOYSA-N 0 2 393.472 3.225 20 0 GGADLN Cc1cc(Cl)ccc1OCC(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000186665667 1431485267 /nfs/dbraw/zinc/48/52/67/1431485267.db2.gz RAUOBMHOJIESCM-UHFFFAOYSA-N 0 2 386.839 3.041 20 0 GGADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)c1csc(-c2ccccc2)n1 ZINC000186667688 1431485852 /nfs/dbraw/zinc/48/58/52/1431485852.db2.gz CYLTUGUVKJDRMF-UHFFFAOYSA-N 0 2 391.456 3.437 20 0 GGADLN Cc1[nH]c2c(cccc2C(=O)NCc2nnc(COc3ccccc3)[nH]2)c1C ZINC000186667859 1431486224 /nfs/dbraw/zinc/48/62/24/1431486224.db2.gz ZCYGRLMFAXEECQ-UHFFFAOYSA-N 0 2 375.432 3.412 20 0 GGADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)[C@@H]1C[C@]12CCCc1ccccc12 ZINC000186668473 1431486762 /nfs/dbraw/zinc/48/67/62/1431486762.db2.gz UPJLTESDJMFROS-CVDCTZTESA-N 0 2 388.471 3.294 20 0 GGADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)c1nc(Cl)ccc1Cl ZINC000186670673 1431487042 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CCCCOc1ccc(C(=O)NCc2nnc(COc3ccccc3)[nH]2)cc1 ZINC000186677101 1431489366 /nfs/dbraw/zinc/48/93/66/1431489366.db2.gz LHKBNDUENDUAPQ-UHFFFAOYSA-N 0 2 380.448 3.493 20 0 GGADLN O=C(Cc1c[nH]c2ccc(Cl)cc12)NCc1nnc(COc2ccccc2)[nH]1 ZINC000186679416 1431490557 /nfs/dbraw/zinc/49/05/57/1431490557.db2.gz ORPMEDSFLQVIKU-UHFFFAOYSA-N 0 2 395.850 3.377 20 0 GGADLN C[C@H](CCc1ccccc1F)C(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000186679470 1431490705 /nfs/dbraw/zinc/49/07/05/1431490705.db2.gz RWWOKOCTUNVHKF-OAHLLOKOSA-N 0 2 382.439 3.408 20 0 GGADLN COc1ccc(N2CC(=O)C(C(=O)N(C)CC3(c4ccccc4)CC3)=N2)cc1 ZINC000186749830 1431507568 /nfs/dbraw/zinc/50/75/68/1431507568.db2.gz KLDSXMWBSPXYHC-UHFFFAOYSA-N 0 2 377.444 3.390 20 0 GGADLN Cc1ccccc1NC(=O)[C@H]1CSCN1C(=O)c1cc(F)c(O)c(F)c1 ZINC000186762934 1431510255 /nfs/dbraw/zinc/51/02/55/1431510255.db2.gz RGFWEQAVGXSHJS-OAHLLOKOSA-N 0 2 378.400 3.133 20 0 GGADLN O=C(Nc1ccc(F)cc1)C1CCN(C(=O)c2cc(F)c(O)c(F)c2)CC1 ZINC000186763481 1431510963 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384.423 3.436 20 0 GGADLN COC(=O)CCN(Cc1ccc(F)c(F)c1)C(=O)c1cc(F)c(O)c(F)c1 ZINC000186803450 1431521294 /nfs/dbraw/zinc/52/12/94/1431521294.db2.gz GOKMWWFPQXCQRZ-UHFFFAOYSA-N 0 2 385.313 3.154 20 0 GGADLN CCCCS(=O)(=O)Nc1ccc(NC(=O)c2cc(F)c(O)c(F)c2)cc1 ZINC000186830239 1431531214 /nfs/dbraw/zinc/53/12/14/1431531214.db2.gz YYKBXUQGJUSEIW-UHFFFAOYSA-N 0 2 384.404 3.465 20 0 GGADLN COc1cc(Cl)c(C)cc1NC(=O)CCNC(=O)c1cc(F)c(O)c(F)c1 ZINC000186848062 1431538275 /nfs/dbraw/zinc/53/82/75/1431538275.db2.gz KYHJNCJCHFYRLE-UHFFFAOYSA-N 0 2 398.793 3.399 20 0 GGADLN C[C@@H]1CCCN(C(=O)c2cc(F)c(O)c(F)c2)[C@@H]1CNC(=O)OC(C)(C)C ZINC000186848141 1431538337 /nfs/dbraw/zinc/53/83/37/1431538337.db2.gz AEXBVSRBZATHHT-IAQYHMDHSA-N 0 2 384.423 3.436 20 0 GGADLN CC(C)(C)OC(=O)[C@@H](Cc1ccccc1)NC(=O)c1cc(F)c(O)c(F)c1 ZINC000186871246 1431548419 /nfs/dbraw/zinc/54/84/19/1431548419.db2.gz ZGVNLKDBUIWGBQ-MRXNPFEDSA-N 0 2 377.387 3.353 20 0 GGADLN Nc1c(Cl)cc(NS(=O)(=O)c2cnn(CC(F)(F)F)c2)cc1Cl ZINC000186923099 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YZECBQLMEVXQEJ-CQSZACIVSA-N 0 2 392.467 3.135 20 0 GGADLN CCOc1cc2c(cc1[C@@H]1C[C@H]1Nc1[nH+]c(C)ccc1-c1nnn[n-]1)O[C@H](C)C2 ZINC000825615725 1441778563 /nfs/dbraw/zinc/77/85/63/1441778563.db2.gz IMKAIGVZIVYNBS-ISTRZQFTSA-N 0 2 392.463 3.260 20 0 GGADLN Cc1ccc(NC(=O)C[N@H+]2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)cc1C ZINC000826290616 1441810098 /nfs/dbraw/zinc/81/00/98/1441810098.db2.gz SBEDUQSETVJQPQ-UHFFFAOYSA-N 0 2 388.475 3.211 20 0 GGADLN Cc1ccc(NC(=O)C[N@@H+]2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)cc1C ZINC000826290616 1441810103 /nfs/dbraw/zinc/81/01/03/1441810103.db2.gz SBEDUQSETVJQPQ-UHFFFAOYSA-N 0 2 388.475 3.211 20 0 GGADLN C[C@@H]([NH2+]Cc1nnc(-c2ccc(Cl)cc2)o1)c1cccc(-c2nnn[n-]2)c1 ZINC000824633607 1442229324 /nfs/dbraw/zinc/22/93/24/1442229324.db2.gz PQCLHPPMMZRJRS-LLVKDONJSA-N 0 2 381.827 3.421 20 0 GGADLN c1sc(C2CC2)nc1C[NH+]1CCC(Oc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826514413 1442254820 /nfs/dbraw/zinc/25/48/20/1442254820.db2.gz QQFXIFIMHMLNKJ-UHFFFAOYSA-N 0 2 382.493 3.244 20 0 GGADLN CCN(CC1CCN(c2cccc[nH+]2)CC1)c1ccc(Cl)c(-c2nnn[n-]2)n1 ZINC000821207144 1442398446 /nfs/dbraw/zinc/39/84/46/1442398446.db2.gz IOPHWDINCQHMSN-UHFFFAOYSA-N 0 2 398.902 3.053 20 0 GGADLN Cc1nc(C)c(CCNc2c(-c3nnn[n-]3)c[nH+]c3c(C)cc(F)cc23)s1 ZINC000822427421 1442417072 /nfs/dbraw/zinc/41/70/72/1442417072.db2.gz NANLVKZOKPYNII-UHFFFAOYSA-N 0 2 383.456 3.012 20 0 GGADLN C[C@H](c1cccc(F)c1)[NH+]1CCN(Cc2cc(-c3nnn[n-]3)ccc2F)CC1 ZINC000824770129 1443077863 /nfs/dbraw/zinc/07/78/63/1443077863.db2.gz FFHPXOLAZYWIKV-CQSZACIVSA-N 0 2 384.434 3.024 20 0 GGADLN COc1cc(-c2nnn[n-]2)ccc1C[N@H+]1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000826168214 1443230680 /nfs/dbraw/zinc/23/06/80/1443230680.db2.gz GFZPGSWXVAHXMW-UHFFFAOYSA-N 0 2 387.447 3.041 20 0 GGADLN COc1cc(-c2nnn[n-]2)ccc1C[N@@H+]1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000826168214 1443230682 /nfs/dbraw/zinc/23/06/82/1443230682.db2.gz GFZPGSWXVAHXMW-UHFFFAOYSA-N 0 2 387.447 3.041 20 0 GGADLN CC[C@@H]1c2ccsc2CC[N@H+]1Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000821000511 1443232574 /nfs/dbraw/zinc/23/25/74/1443232574.db2.gz GHRHJBQGZVBZQF-OAHLLOKOSA-N 0 2 393.476 3.488 20 0 GGADLN CC[C@@H]1c2ccsc2CC[N@@H+]1Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000821000511 1443232578 /nfs/dbraw/zinc/23/25/78/1443232578.db2.gz GHRHJBQGZVBZQF-OAHLLOKOSA-N 0 2 393.476 3.488 20 0 GGADLN CC[C@H]1c2ccccc2CC[N@H+]1CCC(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000736407600 1443235955 /nfs/dbraw/zinc/23/59/55/1443235955.db2.gz AHFVPJBDPMABGJ-IBGZPJMESA-N 0 2 376.464 3.205 20 0 GGADLN CC[C@H]1c2ccccc2CC[N@@H+]1CCC(=O)Nc1ccccc1-c1nnn[n-]1 ZINC000736407600 1443235961 /nfs/dbraw/zinc/23/59/61/1443235961.db2.gz AHFVPJBDPMABGJ-IBGZPJMESA-N 0 2 376.464 3.205 20 0 GGADLN CCC(C)(C)[C@H]1CCc2c(sc(NC(=O)Cn3cc[nH+]c3)c2-c2nnn[n-]2)C1 ZINC000820847666 1443246851 /nfs/dbraw/zinc/24/68/51/1443246851.db2.gz IOFFJMVXOBANJE-LBPRGKRZSA-N 0 2 399.524 3.305 20 0 GGADLN COc1ccc(Oc2cc(CNc3[nH+]c(C)ccc3-c3nnn[n-]3)ccn2)cc1 ZINC000826211782 1443304095 /nfs/dbraw/zinc/30/40/95/1443304095.db2.gz UKMFGFKXSUVNCY-UHFFFAOYSA-N 0 2 389.419 3.378 20 0 GGADLN c1cc(-c2cccc(CNc3nc[nH+]c4c3CCC4)c2)sc1-c1nnn[n-]1 ZINC000738412767 1443308314 /nfs/dbraw/zinc/30/83/14/1443308314.db2.gz HJYLIINOCYDGCT-UHFFFAOYSA-N 0 2 375.461 3.486 20 0 GGADLN COc1cc(-c2noc(C[NH2+][C@H](C)c3ccc(-c4nnn[n-]4)cc3)n2)ccc1C ZINC000826176599 1443353816 /nfs/dbraw/zinc/35/38/16/1443353816.db2.gz VWBQURYJSYEIQZ-CYBMUJFWSA-N 0 2 391.435 3.085 20 0 GGADLN C[C@H]1c2ccccc2OCC[N@H+]1Cc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000820826123 1443362536 /nfs/dbraw/zinc/36/25/36/1443362536.db2.gz JNABGBGWZYVBKC-LBPRGKRZSA-N 0 2 387.390 3.424 20 0 GGADLN C[C@H]1c2ccccc2OCC[N@@H+]1Cc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000820826123 1443362539 /nfs/dbraw/zinc/36/25/39/1443362539.db2.gz JNABGBGWZYVBKC-LBPRGKRZSA-N 0 2 387.390 3.424 20 0 GGADLN O=C(C[N@H+]1CC=C(c2ccc(Cl)cc2)CC1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000822993488 1443410793 /nfs/dbraw/zinc/41/07/93/1443410793.db2.gz UQCJROORCIBGSF-UHFFFAOYSA-N 0 2 394.866 3.248 20 0 GGADLN O=C(C[N@@H+]1CC=C(c2ccc(Cl)cc2)CC1)Nc1cccc(-c2nnn[n-]2)c1 ZINC000822993488 1443410797 /nfs/dbraw/zinc/41/07/97/1443410797.db2.gz UQCJROORCIBGSF-UHFFFAOYSA-N 0 2 394.866 3.248 20 0 GGADLN CC(C)c1ccc([C@H](C)CC(=O)NCCNc2ccc(-c3nnn[n-]3)c[nH+]2)cc1 ZINC000735922081 1443444555 /nfs/dbraw/zinc/44/45/55/1443444555.db2.gz BOSRPVRINUYJTA-OAHLLOKOSA-N 0 2 393.495 3.107 20 0 GGADLN Cc1cccc(C)c1NC(=O)C[N@H+]1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826296537 1443600304 /nfs/dbraw/zinc/60/03/04/1443600304.db2.gz ALXNWBWWGQZDNE-UHFFFAOYSA-N 0 2 388.475 3.211 20 0 GGADLN Cc1cccc(C)c1NC(=O)C[N@@H+]1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000826296537 1443600305 /nfs/dbraw/zinc/60/03/05/1443600305.db2.gz ALXNWBWWGQZDNE-UHFFFAOYSA-N 0 2 388.475 3.211 20 0 GGADLN FC(F)(F)c1ccc(-c2nnn[n-]2)cc1NC1CCN(c2cccc[nH+]2)CC1 ZINC000822723496 1443755073 /nfs/dbraw/zinc/75/50/73/1443755073.db2.gz GUDMGEODRHYNBA-UHFFFAOYSA-N 0 2 389.385 3.361 20 0 GGADLN CCC(CC)(CNc1[nH+]ccc(C)c1-c1nnn[n-]1)NC(=O)OC(C)(C)C ZINC000825090045 1443757102 /nfs/dbraw/zinc/75/71/02/1443757102.db2.gz QBTOLWCSSZRHEA-UHFFFAOYSA-N 0 2 375.477 3.066 20 0 GGADLN Cc1cc[nH+]c(NCC2(c3ccccc3Cl)CCOCC2)c1-c1nnn[n-]1 ZINC000826313865 1443773635 /nfs/dbraw/zinc/77/36/35/1443773635.db2.gz WEJDXILXBXTXOI-UHFFFAOYSA-N 0 2 384.871 3.384 20 0 GGADLN CC(C)c1nc(C[NH+]2CCC(Oc3cccc(-c4nnn[n-]4)c3)CC2)cs1 ZINC000735941424 1443814152 /nfs/dbraw/zinc/81/41/52/1443814152.db2.gz XWOMHVPHFVKZHU-UHFFFAOYSA-N 0 2 384.509 3.490 20 0 GGADLN Cc1ccc(N2CCC(C(=O)O[C@@H](C)c3ccc(-c4nnn[n-]4)cc3)CC2)[nH+]c1 ZINC000822240934 1443872767 /nfs/dbraw/zinc/87/27/67/1443872767.db2.gz FSBGCKHIELWXOX-HNNXBMFYSA-N 0 2 392.463 3.091 20 0 GGADLN Cc1cc[nH+]c(N[C@H](C)[C@@H](OC2CCOCC2)c2ccccc2)c1-c1nnn[n-]1 ZINC000826311767 1443903515 /nfs/dbraw/zinc/90/35/15/1443903515.db2.gz MTYNIHWJSKMXBH-DNVCBOLYSA-N 0 2 394.479 3.307 20 0 GGADLN COc1cc(-c2nnn[n-]2)ccc1C[N@H+](C)Cc1csc(Br)c1 ZINC000826167911 1443961696 /nfs/dbraw/zinc/96/16/96/1443961696.db2.gz VUQLMMJTFVSHRW-UHFFFAOYSA-N 0 2 394.298 3.331 20 0 GGADLN COc1cc(-c2nnn[n-]2)ccc1C[N@@H+](C)Cc1csc(Br)c1 ZINC000826167911 1443961697 /nfs/dbraw/zinc/96/16/97/1443961697.db2.gz VUQLMMJTFVSHRW-UHFFFAOYSA-N 0 2 394.298 3.331 20 0 GGADLN CC[NH+](CC)[C@H](C(=O)OCc1cc(F)ccc1-c1nnn[n-]1)c1ccccc1 ZINC000821175621 1446109887 /nfs/dbraw/zinc/10/98/87/1446109887.db2.gz QCGFOHVOFMRTCP-SFHVURJKSA-N 0 2 383.427 3.132 20 0 GGADLN Cc1cc(-c2noc(C[NH2+][C@H](C)c3cccc(-c4nnn[n-]4)c3)n2)ccc1F ZINC000826256728 1446133013 /nfs/dbraw/zinc/13/30/13/1446133013.db2.gz XVSSIBFFPCOHBT-GFCCVEGCSA-N 0 2 379.399 3.215 20 0 GGADLN Cc1ccc(-c2nnn[n-]2)c(NC[C@@H](C)Oc2cccc(Br)c2)[nH+]1 ZINC000826275775 1446136451 /nfs/dbraw/zinc/13/64/51/1446136451.db2.gz KIINMKMOCHLPIA-LLVKDONJSA-N 0 2 389.257 3.212 20 0 GGADLN CC(C)c1[nH+]c2c(n1C)CCN(c1ccc(C(F)(F)F)cc1-c1nnn[n-]1)C2 ZINC000820203471 1446287133 /nfs/dbraw/zinc/28/71/33/1446287133.db2.gz URQUUYFKQZPYFA-UHFFFAOYSA-N 0 2 391.401 3.305 20 0 GGADLN COC[C@@H](Nc1[nH+]ccc(C)c1-c1nnn[n-]1)c1cccc(C(F)(F)F)c1 ZINC000826152160 1446288465 /nfs/dbraw/zinc/28/84/65/1446288465.db2.gz SCWLSAWJKBFUPD-CYBMUJFWSA-N 0 2 378.358 3.389 20 0 GGADLN C[C@@H](c1ccc(F)cc1)[N@H+](C)Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000820563129 1446300971 /nfs/dbraw/zinc/30/09/71/1446300971.db2.gz ONAPFESKWVDWHE-LBPRGKRZSA-N 0 2 379.399 3.249 20 0 GGADLN C[C@@H](c1ccc(F)cc1)[N@@H+](C)Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000820563129 1446300974 /nfs/dbraw/zinc/30/09/74/1446300974.db2.gz ONAPFESKWVDWHE-LBPRGKRZSA-N 0 2 379.399 3.249 20 0 GGADLN Fc1ccc(C2([NH2+]Cc3nnc(-c4cccc(-c5nnn[n-]5)c4)o3)CCC2)cc1 ZINC000822767114 1446415750 /nfs/dbraw/zinc/41/57/50/1446415750.db2.gz XBJKBTCKOAYYGO-UHFFFAOYSA-N 0 2 391.410 3.225 20 0 GGADLN CCOc1c(C[N@H+](C)Cc2cccc(-c3nnn[n-]3)c2)c(C)nn1CC(C)C ZINC000825604760 1446422800 /nfs/dbraw/zinc/42/28/00/1446422800.db2.gz KPKOIRXGGPDKNR-UHFFFAOYSA-N 0 2 383.500 3.058 20 0 GGADLN CCOc1c(C[N@@H+](C)Cc2cccc(-c3nnn[n-]3)c2)c(C)nn1CC(C)C ZINC000825604760 1446422803 /nfs/dbraw/zinc/42/28/03/1446422803.db2.gz KPKOIRXGGPDKNR-UHFFFAOYSA-N 0 2 383.500 3.058 20 0 GGADLN C[C@H]1CCN(c2ccc(C(F)(F)F)cc2-c2nnn[n-]2)C[C@H]1n1cc[nH+]c1 ZINC000820726790 1446426651 /nfs/dbraw/zinc/42/66/51/1446426651.db2.gz BVNRXSHVPFIWQJ-XHDPSFHLSA-N 0 2 377.374 3.170 20 0 GGADLN Cc1oc(NC(=O)[C@@H](C)[NH2+][C@@H](C)c2c(F)cccc2F)c(-c2nnn[n-]2)c1C ZINC000826341303 1446426827 /nfs/dbraw/zinc/42/68/27/1446426827.db2.gz CNKZJCCHBRLMOG-VHSXEESVSA-N 0 2 390.394 3.033 20 0 GGADLN COc1ccc(-c2noc([C@@H](C)[NH2+][C@H](C)c3ccc(-c4nnn[n-]4)cc3)n2)cc1 ZINC000821766365 1446494404 /nfs/dbraw/zinc/49/44/04/1446494404.db2.gz UXNZPPQATFMNAD-CHWSQXEVSA-N 0 2 391.435 3.337 20 0 GGADLN CCCCCC[C@H](C)C(=O)N1CC[NH+](Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000736447783 1446522652 /nfs/dbraw/zinc/52/26/52/1446522652.db2.gz UJENWBUEZZSJRT-KRWDZBQOSA-N 0 2 384.528 3.117 20 0 GGADLN Fc1cccc(N2CC[NH+](Cc3cscc3Cl)CC2)c1-c1nnn[n-]1 ZINC000826377367 1446536836 /nfs/dbraw/zinc/53/68/36/1446536836.db2.gz OMBNSUOUGJJSQA-UHFFFAOYSA-N 0 2 378.864 3.043 20 0 GGADLN Cc1cc[nH+]c(NC[C@](O)(c2ccc(Cl)cc2)C(F)(F)F)c1-c1nnn[n-]1 ZINC000826313248 1446799497 /nfs/dbraw/zinc/79/94/97/1446799497.db2.gz ZJXOTYFEBFPCIR-HNNXBMFYSA-N 0 2 398.776 3.086 20 0 GGADLN Brc1cccc2c1C[N@H+](Cc1cc(-c3nnn[n-]3)cs1)CC2 ZINC000823831771 1446988910 /nfs/dbraw/zinc/98/89/10/1446988910.db2.gz CMIHCQDUIPPXMI-UHFFFAOYSA-N 0 2 376.283 3.249 20 0 GGADLN Brc1cccc2c1C[N@@H+](Cc1cc(-c3nnn[n-]3)cs1)CC2 ZINC000823831771 1446988913 /nfs/dbraw/zinc/98/89/13/1446988913.db2.gz CMIHCQDUIPPXMI-UHFFFAOYSA-N 0 2 376.283 3.249 20 0 GGADLN c1ccc(OCC2CC2)c(C[N@@H+]2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)c1 ZINC000826513529 1446998079 /nfs/dbraw/zinc/99/80/79/1446998079.db2.gz NSLGXQUYEXPGSX-OAQYLSRUSA-N 0 2 391.475 3.229 20 0 GGADLN c1ccc(OCC2CC2)c(C[N@H+]2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)c1 ZINC000826513529 1446998081 /nfs/dbraw/zinc/99/80/81/1446998081.db2.gz NSLGXQUYEXPGSX-OAQYLSRUSA-N 0 2 391.475 3.229 20 0 GGADLN COc1cc(C[N@@H+]2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)ccc1SC ZINC000826179146 1447018230 /nfs/dbraw/zinc/01/82/30/1447018230.db2.gz ATHVUZOZQOPLQM-SFHVURJKSA-N 0 2 397.504 3.171 20 0 GGADLN COc1cc(C[N@H+]2CCO[C@H](c3cccc(-c4nnn[n-]4)c3)C2)ccc1SC ZINC000826179146 1447018235 /nfs/dbraw/zinc/01/82/35/1447018235.db2.gz ATHVUZOZQOPLQM-SFHVURJKSA-N 0 2 397.504 3.171 20 0 GGADLN C[C@H]1CC[C@@H](C(F)(F)F)C[N@@H+]1Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000824907519 1447232032 /nfs/dbraw/zinc/23/20/32/1447232032.db2.gz IGJFLODTISYQNK-GXFFZTMASA-N 0 2 393.373 3.080 20 0 GGADLN C[C@H]1CC[C@@H](C(F)(F)F)C[N@H+]1Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000824907519 1447232034 /nfs/dbraw/zinc/23/20/34/1447232034.db2.gz IGJFLODTISYQNK-GXFFZTMASA-N 0 2 393.373 3.080 20 0 GGADLN CC(C)[C@H](CC1CCCCC1)C(=O)NCCNc1ccc(-c2nnn[n-]2)c[nH+]1 ZINC000735709807 1449074278 /nfs/dbraw/zinc/07/42/78/1449074278.db2.gz SCVVNNROGZWLDC-KRWDZBQOSA-N 0 2 385.516 3.032 20 0 GGADLN 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ZINC001592663105 951343018 /nfs/dbraw/zinc/34/30/18/951343018.db2.gz FODNUHZKXDKBLH-UHFFFAOYSA-N 0 2 383.448 3.133 20 0 GGADLN CCOc1ccccc1[C@@H](CC)NC(=O)C[NH2+][C@](C)(C(=O)[O-])c1ccccc1 ZINC001593043446 951390673 /nfs/dbraw/zinc/39/06/73/951390673.db2.gz XTFARCIXGLQDCE-GCJKJVERSA-N 0 2 384.476 3.242 20 0 GGADLN O=C([O-])CCc1cccc(NC(=O)c2ccc(NCCn3cc[nH+]c3)cc2)c1 ZINC001595064122 951533567 /nfs/dbraw/zinc/53/35/67/951533567.db2.gz ATIRQCDSMBHDMH-UHFFFAOYSA-N 0 2 378.432 3.265 20 0 GGADLN C[C@H](C(=O)[O-])[N@H+](CC(=O)N(C)[C@H](c1ccccc1)c1ccc(F)cc1)C1CC1 ZINC000420272353 953420232 /nfs/dbraw/zinc/42/02/32/953420232.db2.gz LWZGTUHYUPTMBO-QVKFZJNVSA-N 0 2 384.451 3.311 20 0 GGADLN C[C@H](C(=O)[O-])[N@@H+](CC(=O)N(C)[C@H](c1ccccc1)c1ccc(F)cc1)C1CC1 ZINC000420272353 953420244 /nfs/dbraw/zinc/42/02/44/953420244.db2.gz LWZGTUHYUPTMBO-QVKFZJNVSA-N 0 2 384.451 3.311 20 0 GGADLN O=C([O-])c1ccc(Br)c(NC(=O)NCCCNc2cccc[nH+]2)c1 ZINC001594756988 953469207 /nfs/dbraw/zinc/46/92/07/953469207.db2.gz UPWBBNNJJYVSML-UHFFFAOYSA-N 0 2 393.241 3.166 20 0 GGADLN O=C([O-])[C@@H]1C[C@@H](NC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)c2ccccc21 ZINC001594767522 953536019 /nfs/dbraw/zinc/53/60/19/953536019.db2.gz DMKYMOIQJNCJKW-SJLPKXTDSA-N 0 2 394.406 3.124 20 0 GGADLN CN(C(=O)C[N@@H+]1CCCC[C@H]1C(=O)[O-])[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000542516006 953575289 /nfs/dbraw/zinc/57/52/89/953575289.db2.gz IHCUUJIYABUVSN-FPOVZHCZSA-N 0 2 384.451 3.313 20 0 GGADLN CN(C(=O)C[N@H+]1CCCC[C@H]1C(=O)[O-])[C@@H](c1ccccc1)c1ccc(F)cc1 ZINC000542516006 953575297 /nfs/dbraw/zinc/57/52/97/953575297.db2.gz IHCUUJIYABUVSN-FPOVZHCZSA-N 0 2 384.451 3.313 20 0 GGADLN CCc1ccc([C@@H](COC)[NH2+]Cc2ccc(N3CCC[C@@H](C(=O)[O-])C3)o2)o1 ZINC001593636577 953611226 /nfs/dbraw/zinc/61/12/26/953611226.db2.gz DXQNBMVDEIOMTL-RHSMWYFYSA-N 0 2 376.453 3.213 20 0 GGADLN CCc1ccc([C@@H](NC(=O)C[N@@H+]2CCC[C@]2(C)C(=O)[O-])c2cccs2)cc1 ZINC001593637374 953617677 /nfs/dbraw/zinc/61/76/77/953617677.db2.gz VKHFXTUDEGPNIF-TZIWHRDSSA-N 0 2 386.517 3.455 20 0 GGADLN CCc1ccc([C@@H](NC(=O)C[N@H+]2CCC[C@]2(C)C(=O)[O-])c2cccs2)cc1 ZINC001593637374 953617685 /nfs/dbraw/zinc/61/76/85/953617685.db2.gz VKHFXTUDEGPNIF-TZIWHRDSSA-N 0 2 386.517 3.455 20 0 GGADLN CC[C@@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccc(C(=O)[O-])cc1 ZINC000566300867 953626368 /nfs/dbraw/zinc/62/63/68/953626368.db2.gz RBDGVADNOYNCMX-IERDGZPVSA-N 0 2 395.503 3.461 20 0 GGADLN CC[C@@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccc(C(=O)[O-])cc1 ZINC000566300867 953626373 /nfs/dbraw/zinc/62/63/73/953626373.db2.gz RBDGVADNOYNCMX-IERDGZPVSA-N 0 2 395.503 3.461 20 0 GGADLN O=C([O-])c1ccccc1OCC[N@@H+]1CCO[C@H](c2cccc(OC(F)F)c2)C1 ZINC000584453217 953734816 /nfs/dbraw/zinc/73/48/16/953734816.db2.gz FSVACTJGYNSQRD-SFHVURJKSA-N 0 2 393.386 3.439 20 0 GGADLN O=C([O-])c1ccccc1OCC[N@H+]1CCO[C@H](c2cccc(OC(F)F)c2)C1 ZINC000584453217 953734822 /nfs/dbraw/zinc/73/48/22/953734822.db2.gz FSVACTJGYNSQRD-SFHVURJKSA-N 0 2 393.386 3.439 20 0 GGADLN C[C@H]1CC[C@H](C(=O)[O-])C[N@@H+]1Cc1noc(Cc2ccc(Br)cc2)n1 ZINC001589307602 953753601 /nfs/dbraw/zinc/75/36/01/953753601.db2.gz AYJNFQFZSSPULF-AAEUAGOBSA-N 0 2 394.269 3.108 20 0 GGADLN C[C@H]1CC[C@H](C(=O)[O-])C[N@H+]1Cc1noc(Cc2ccc(Br)cc2)n1 ZINC001589307602 953753609 /nfs/dbraw/zinc/75/36/09/953753609.db2.gz AYJNFQFZSSPULF-AAEUAGOBSA-N 0 2 394.269 3.108 20 0 GGADLN C[C@@H]1CC[C@H](C(=O)[O-])C[N@@H+]1Cc1noc(Cc2ccc(Br)cc2)n1 ZINC001589307607 953754179 /nfs/dbraw/zinc/75/41/79/953754179.db2.gz AYJNFQFZSSPULF-YPMHNXCESA-N 0 2 394.269 3.108 20 0 GGADLN C[C@@H]1CC[C@H](C(=O)[O-])C[N@H+]1Cc1noc(Cc2ccc(Br)cc2)n1 ZINC001589307607 953754195 /nfs/dbraw/zinc/75/41/95/953754195.db2.gz AYJNFQFZSSPULF-YPMHNXCESA-N 0 2 394.269 3.108 20 0 GGADLN O=C([O-])c1ccc(C(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)nc1 ZINC000642274880 953897625 /nfs/dbraw/zinc/89/76/25/953897625.db2.gz BHFNKYQXMULJBI-INIZCTEOSA-N 0 2 391.830 3.139 20 0 GGADLN O=C([O-])[C@@H]1CC[C@H](NC(=O)N(CCn2cc[nH+]c2)Cc2cccc(Cl)c2)C1 ZINC000646179723 953950290 /nfs/dbraw/zinc/95/02/90/953950290.db2.gz ZCXQNIJTIZDGDD-WBVHZDCISA-N 0 2 390.871 3.002 20 0 GGADLN CC[C@H](C(=O)[O-])[N@H+](C)Cc1nc(=O)c2sc(-c3ccc(F)cc3)cc2[nH]1 ZINC000650517462 954027142 /nfs/dbraw/zinc/02/71/42/954027142.db2.gz MMPHZHVEWAKRSV-CYBMUJFWSA-N 0 2 375.425 3.086 20 0 GGADLN CC[C@H](C(=O)[O-])[N@@H+](C)Cc1nc(=O)c2sc(-c3ccc(F)cc3)cc2[nH]1 ZINC000650517462 954027155 /nfs/dbraw/zinc/02/71/55/954027155.db2.gz MMPHZHVEWAKRSV-CYBMUJFWSA-N 0 2 375.425 3.086 20 0 GGADLN O=C([O-])[C@@H]([NH2+]Cc1nc2ccc(Br)cc2[nH]1)c1ccc(F)cc1 ZINC001594843920 954112080 /nfs/dbraw/zinc/11/20/80/954112080.db2.gz PIVNQHJHCMGCBZ-HNNXBMFYSA-N 0 2 378.201 3.380 20 0 GGADLN O=C([O-])[C@@H]1C[C@H](NC(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)c2ccccc21 ZINC000653329393 954158578 /nfs/dbraw/zinc/15/85/78/954158578.db2.gz VVVSYDDFIGGKCG-AABGKKOBSA-N 0 2 396.512 3.206 20 0 GGADLN C[C@@H]1CCc2c(sc3nc(C[N@H+](CC(=O)[O-])CC(C)(C)C)nc(N)c32)C1 ZINC001589364345 954176824 /nfs/dbraw/zinc/17/68/24/954176824.db2.gz RFQBQCOCAWTTLU-LLVKDONJSA-N 0 2 376.526 3.331 20 0 GGADLN C[C@@H]1CCc2c(sc3nc(C[N@@H+](CC(=O)[O-])CC(C)(C)C)nc(N)c32)C1 ZINC001589364345 954176832 /nfs/dbraw/zinc/17/68/32/954176832.db2.gz RFQBQCOCAWTTLU-LLVKDONJSA-N 0 2 376.526 3.331 20 0 GGADLN CCN(C(=O)CCCCC(=O)[O-])C1CCN(c2cc(C)[nH+]c(C(C)C)n2)CC1 ZINC000655554182 954200042 /nfs/dbraw/zinc/20/00/42/954200042.db2.gz NBADZMVVPADRMK-UHFFFAOYSA-N 0 2 390.528 3.371 20 0 GGADLN CC(C)[C@@H](CNC(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1)C(=O)[O-] ZINC000655861509 954245197 /nfs/dbraw/zinc/24/51/97/954245197.db2.gz QMOOUSGWUZYEOA-CJNGLKHVSA-N 0 2 399.894 3.272 20 0 GGADLN CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655899707 954279974 /nfs/dbraw/zinc/27/99/74/954279974.db2.gz AWMZREKLGKFDEG-HRCADAONSA-N 0 2 378.517 3.003 20 0 GGADLN O=C([O-])CN1CC[C@@H]([N@@H+]2Cc3cc(Cl)ccc3C[C@@H]2c2ccccc2)C1=O ZINC000662206138 954379406 /nfs/dbraw/zinc/37/94/06/954379406.db2.gz ONFRZXWGVHWAGV-RTBURBONSA-N 0 2 384.863 3.125 20 0 GGADLN O=C([O-])CN1CC[C@@H]([N@H+]2Cc3cc(Cl)ccc3C[C@@H]2c2ccccc2)C1=O ZINC000662206138 954379419 /nfs/dbraw/zinc/37/94/19/954379419.db2.gz ONFRZXWGVHWAGV-RTBURBONSA-N 0 2 384.863 3.125 20 0 GGADLN CC[N@H+](CC(=O)Nc1cc(C2CCCC2)nn1-c1ccccc1)[C@@H](C)C(=O)[O-] ZINC000662215408 954386266 /nfs/dbraw/zinc/38/62/66/954386266.db2.gz JLZLBAXBFWWIHE-HNNXBMFYSA-N 0 2 384.480 3.263 20 0 GGADLN CC[N@@H+](CC(=O)Nc1cc(C2CCCC2)nn1-c1ccccc1)[C@@H](C)C(=O)[O-] ZINC000662215408 954386283 /nfs/dbraw/zinc/38/62/83/954386283.db2.gz JLZLBAXBFWWIHE-HNNXBMFYSA-N 0 2 384.480 3.263 20 0 GGADLN O=C([O-])C1(C(=O)Oc2ccc(-c3[nH+]cc4n3CCCC4)cc2)CCSCC1 ZINC001594877712 954390897 /nfs/dbraw/zinc/39/08/97/954390897.db2.gz AWMRWYKRUZKMOZ-UHFFFAOYSA-N 0 2 386.473 3.390 20 0 GGADLN CC(C)[C@@H](C[NH2+]Cc1cc(Br)c(O)c(Br)c1)C(=O)[O-] ZINC001602991094 972015955 /nfs/dbraw/zinc/01/59/55/972015955.db2.gz GQVWQWQFOLPLQK-SECBINFHSA-N 0 2 395.091 3.364 20 0 GGADLN C[C@H]1C[NH+](Cc2ccccc2NC(=O)c2ccc(OCC(=O)[O-])cc2)C[C@H](C)O1 ZINC000663112342 954503577 /nfs/dbraw/zinc/50/35/77/954503577.db2.gz HGVYRAQPPYLNSO-HOTGVXAUSA-N 0 2 398.459 3.012 20 0 GGADLN O=C([O-])C1(C(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)CC=CC1 ZINC000663112761 954503770 /nfs/dbraw/zinc/50/37/70/954503770.db2.gz AFZCRPTYICCHEC-HNNXBMFYSA-N 0 2 380.847 3.153 20 0 GGADLN O=C([O-])C1(C(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)CC=CC1 ZINC000663112763 954503839 /nfs/dbraw/zinc/50/38/39/954503839.db2.gz AFZCRPTYICCHEC-OAHLLOKOSA-N 0 2 380.847 3.153 20 0 GGADLN CC(C)(C)[C@@H](C(=O)[O-])C(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000663116074 954509986 /nfs/dbraw/zinc/50/99/86/954509986.db2.gz YWAQZOVFPAWXDV-GOEBONIOSA-N 0 2 384.879 3.479 20 0 GGADLN CC(C)C[C@H](CNC(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1)CC(=O)[O-] ZINC000663138834 954527945 /nfs/dbraw/zinc/52/79/45/954527945.db2.gz PXCUJRUPFMPRGS-QFBILLFUSA-N 0 2 378.538 3.030 20 0 GGADLN O=C([O-])[C@@H]1CCCN(c2ccc(C[NH2+]Cc3nc(-c4ccncc4)cs3)o2)C1 ZINC001594917053 954765484 /nfs/dbraw/zinc/76/54/84/954765484.db2.gz QZOXNDWQEUMZHJ-OAHLLOKOSA-N 0 2 398.488 3.389 20 0 GGADLN O=C([O-])[C@@H]1CCCN(c2ccc(C[NH2+]Cc3ccc(Br)o3)o2)C1 ZINC001594917396 954771228 /nfs/dbraw/zinc/77/12/28/954771228.db2.gz UMORWDQRIFSPQT-LLVKDONJSA-N 0 2 383.242 3.226 20 0 GGADLN O=C([O-])[C@@H]1CCCN(c2ccc(C[N@@H+]3CCO[C@H](Cc4ccccc4)C3)o2)C1 ZINC001594919012 954789562 /nfs/dbraw/zinc/78/95/62/954789562.db2.gz YOCQYQPUBGQCOW-UYAOXDASSA-N 0 2 384.476 3.024 20 0 GGADLN O=C([O-])[C@@H]1CCCN(c2ccc(C[N@H+]3CCO[C@H](Cc4ccccc4)C3)o2)C1 ZINC001594919012 954789571 /nfs/dbraw/zinc/78/95/71/954789571.db2.gz YOCQYQPUBGQCOW-UYAOXDASSA-N 0 2 384.476 3.024 20 0 GGADLN O=C([O-])[C@@H]1CCCN(c2ccc(C[N@@H+]3CCO[C@@H](Cc4ccccc4)C3)o2)C1 ZINC001594919011 954789875 /nfs/dbraw/zinc/78/98/75/954789875.db2.gz YOCQYQPUBGQCOW-QUCCMNQESA-N 0 2 384.476 3.024 20 0 GGADLN O=C([O-])[C@@H]1CCCN(c2ccc(C[N@H+]3CCO[C@@H](Cc4ccccc4)C3)o2)C1 ZINC001594919011 954789887 /nfs/dbraw/zinc/78/98/87/954789887.db2.gz YOCQYQPUBGQCOW-QUCCMNQESA-N 0 2 384.476 3.024 20 0 GGADLN O=C([O-])[C@@H]1CCN(C(=O)CCCn2cc[nH+]c2)c2ccc(Br)cc21 ZINC001594919321 954795900 /nfs/dbraw/zinc/79/59/00/954795900.db2.gz RJOZTKAEBUTHQJ-CYBMUJFWSA-N 0 2 392.253 3.031 20 0 GGADLN O=C([O-])[C@@H]1CCN(C(=O)c2ccc(NCCn3cc[nH+]c3)cc2)c2ccccc21 ZINC001594927846 954821375 /nfs/dbraw/zinc/82/13/75/954821375.db2.gz MZSMXNHTMWNXEH-LJQANCHMSA-N 0 2 390.443 3.214 20 0 GGADLN O=C([O-])[C@@H]1CN(C(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)Cc2ccccc21 ZINC001594942438 954903741 /nfs/dbraw/zinc/90/37/41/954903741.db2.gz IVZADKFZWCEARZ-RTBURBONSA-N 0 2 375.428 3.142 20 0 GGADLN C[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2C(=O)Nc2ccccc2)[C@@H]1C(=O)[O-] ZINC000818330918 955395357 /nfs/dbraw/zinc/39/53/57/955395357.db2.gz SRHHVIQFPDFOTI-QRWLVFNGSA-N 0 2 395.459 3.063 20 0 GGADLN C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2C(=O)Nc2ccccc2)[C@@H]1C(=O)[O-] ZINC000818330918 955395367 /nfs/dbraw/zinc/39/53/67/955395367.db2.gz 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20 0 GGADLN CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)/C=C\c1ccc(C(=O)[O-])o1 ZINC000901917037 956537513 /nfs/dbraw/zinc/53/75/13/956537513.db2.gz FQVVLCWGPVICAP-CLFYSBASSA-N 0 2 383.448 3.151 20 0 GGADLN C[C@@H]1C[NH+](Cc2ccccc2NC(=O)c2coc(/C=C/C(=O)[O-])c2)C[C@@H](C)O1 ZINC000901966255 956572803 /nfs/dbraw/zinc/57/28/03/956572803.db2.gz PCZLXIGRYWZBGI-FHFZEBMASA-N 0 2 384.432 3.239 20 0 GGADLN O=C([O-])CC[C@@H]1Cc2ccccc2N(C(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)C1 ZINC000902819791 956807851 /nfs/dbraw/zinc/80/78/51/956807851.db2.gz KUFKSVKDCFDFJM-CJNGLKHVSA-N 0 2 395.381 3.447 20 0 GGADLN O=C([O-])C1CCN(c2ccc(C[N@@H+]3CCO[C@H](c4ccccc4F)C3)o2)CC1 ZINC000904194249 956921885 /nfs/dbraw/zinc/92/18/85/956921885.db2.gz YWOHYZDZXNAKJP-IBGZPJMESA-N 0 2 388.439 3.293 20 0 GGADLN O=C([O-])C1CCN(c2ccc(C[N@H+]3CCO[C@H](c4ccccc4F)C3)o2)CC1 ZINC000904194249 956921895 /nfs/dbraw/zinc/92/18/95/956921895.db2.gz YWOHYZDZXNAKJP-IBGZPJMESA-N 0 2 388.439 3.293 20 0 GGADLN 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C[C@@](CNC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1)(C(=O)[O-])c1ccccc1 ZINC001603169347 972271220 /nfs/dbraw/zinc/27/12/20/972271220.db2.gz YXKRTUMHWAFPPH-AVRDEDQJSA-N 0 2 377.444 3.090 20 0 GGADLN O=C([O-])[C@@]1(C(=O)Nc2ccc3nc(C[NH+]4CCCCC4)[nH]c3c2)CC=CCC1 ZINC001332744591 957769029 /nfs/dbraw/zinc/76/90/29/957769029.db2.gz OBSRZRODWPQHAW-NRFANRHFSA-N 0 2 382.464 3.298 20 0 GGADLN O=C([O-])[C@H]1C[C@H](NC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)c2ccccc21 ZINC001339845285 957891650 /nfs/dbraw/zinc/89/16/50/957891650.db2.gz KEFBGXBONQUYLY-OALUTQOASA-N 0 2 394.475 3.184 20 0 GGADLN COc1cc(C[N@H+](C)Cc2cc(C(=O)[O-])nn2C)ccc1OCc1ccccc1 ZINC001594056964 958047133 /nfs/dbraw/zinc/04/71/33/958047133.db2.gz YYWGRKHYHJGQKN-UHFFFAOYSA-N 0 2 395.459 3.338 20 0 GGADLN COc1cc(C[N@@H+](C)Cc2cc(C(=O)[O-])nn2C)ccc1OCc1ccccc1 ZINC001594056964 958047148 /nfs/dbraw/zinc/04/71/48/958047148.db2.gz YYWGRKHYHJGQKN-UHFFFAOYSA-N 0 2 395.459 3.338 20 0 GGADLN COc1cc(Cl)c(C)cc1NC(=O)C[NH2+][C@@](C)(C(=O)[O-])c1ccccc1 ZINC001594058612 958066867 /nfs/dbraw/zinc/06/68/67/958066867.db2.gz HZDRQJUBEZIQQY-LJQANCHMSA-N 0 2 376.840 3.185 20 0 GGADLN CC(C)C[C@H](CNC(=O)N1CCC[C@@H](c2c[nH+]cn2C(C)(C)C)C1)C(=O)[O-] ZINC001357121530 958185661 /nfs/dbraw/zinc/18/56/61/958185661.db2.gz XUUBMBITJRAGRZ-HZPDHXFCSA-N 0 2 378.517 3.274 20 0 GGADLN Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)Nc2ccnc(C(=O)[O-])c2)c(C)c1 ZINC001594350542 958349414 /nfs/dbraw/zinc/34/94/14/958349414.db2.gz FEEPFCXLJVEJQP-GOSISDBHSA-N 0 2 379.420 3.156 20 0 GGADLN Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)NCc2ccccc2C(=O)[O-])c(C)c1 ZINC001594351201 958357745 /nfs/dbraw/zinc/35/77/45/958357745.db2.gz VMVCGMYFSMHNAQ-HXUWFJFHSA-N 0 2 392.459 3.439 20 0 GGADLN Cc1ccc(C2=NN(C(=O)C[N@@H+](CC(=O)[O-])CC3CC3)[C@H](c3ccco3)C2)cc1 ZINC001594353694 958387336 /nfs/dbraw/zinc/38/73/36/958387336.db2.gz UHANHSBREKPBCK-IBGZPJMESA-N 0 2 395.459 3.062 20 0 GGADLN Cc1ccc(C2=NN(C(=O)C[N@H+](CC(=O)[O-])CC3CC3)[C@H](c3ccco3)C2)cc1 ZINC001594353694 958387353 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0 2 388.468 3.363 20 0 GGADLN Cc1cccc([C@@H]([NH2+][C@@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)C(=O)[O-])c1 ZINC001594399181 958821038 /nfs/dbraw/zinc/82/10/38/958821038.db2.gz LRJMLUCYANKKTJ-IAGOWNOFSA-N 0 2 376.815 3.308 20 0 GGADLN Cc1cccc([C@H]([NH2+][C@@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)C(=O)[O-])c1 ZINC001594399183 958823603 /nfs/dbraw/zinc/82/36/03/958823603.db2.gz LRJMLUCYANKKTJ-SJORKVTESA-N 0 2 376.815 3.308 20 0 GGADLN CC(=O)c1ccc(NC(=O)C[NH+]2CCC(c3ccccc3C(=O)[O-])CC2)cc1 ZINC001588531159 958894734 /nfs/dbraw/zinc/89/47/34/958894734.db2.gz RYFGFTHRSFIXQX-UHFFFAOYSA-N 0 2 380.444 3.406 20 0 GGADLN Cc1cccc(NC(=O)c2ccccc2NC(=O)C[N@@H+]2CCC[C@]2(C)C(=O)[O-])c1 ZINC001594407887 958914232 /nfs/dbraw/zinc/91/42/32/958914232.db2.gz QSLFJGOQHRIVMM-JOCHJYFZSA-N 0 2 395.459 3.125 20 0 GGADLN Cc1cccc(NC(=O)c2ccccc2NC(=O)C[N@H+]2CCC[C@]2(C)C(=O)[O-])c1 ZINC001594407887 958914238 /nfs/dbraw/zinc/91/42/38/958914238.db2.gz QSLFJGOQHRIVMM-JOCHJYFZSA-N 0 2 395.459 3.125 20 0 GGADLN Cc1cccc(NC(=O)c2ccccc2NC(=O)C[N@@H+]2CCC[C@@]2(C)C(=O)[O-])c1 ZINC001594407888 958915189 /nfs/dbraw/zinc/91/51/89/958915189.db2.gz QSLFJGOQHRIVMM-QFIPXVFZSA-N 0 2 395.459 3.125 20 0 GGADLN Cc1cccc(NC(=O)c2ccccc2NC(=O)C[N@H+]2CCC[C@@]2(C)C(=O)[O-])c1 ZINC001594407888 958915196 /nfs/dbraw/zinc/91/51/96/958915196.db2.gz QSLFJGOQHRIVMM-QFIPXVFZSA-N 0 2 395.459 3.125 20 0 GGADLN CC(C)(C)n1c[nH+]cc1[C@@H]1CCCN(C(=O)C2(C(=O)[O-])C(C)(C)C2(C)C)C1 ZINC001573463992 958933040 /nfs/dbraw/zinc/93/30/40/958933040.db2.gz RRYWYXQWZSGUNM-CQSZACIVSA-N 0 2 375.513 3.481 20 0 GGADLN C[C@H](C(=O)Nc1c(F)c(F)c(F)c(F)c1F)[N@@H+]1CCC[C@H](CCC(=O)[O-])C1 ZINC001588557549 959070319 /nfs/dbraw/zinc/07/03/19/959070319.db2.gz JIVNBAVBGBKFLH-RKDXNWHRSA-N 0 2 394.340 3.286 20 0 GGADLN C[C@H](C(=O)Nc1c(F)c(F)c(F)c(F)c1F)[N@H+]1CCC[C@H](CCC(=O)[O-])C1 ZINC001588557549 959070338 /nfs/dbraw/zinc/07/03/38/959070338.db2.gz JIVNBAVBGBKFLH-RKDXNWHRSA-N 0 2 394.340 3.286 20 0 GGADLN C[C@]([NH2+]CC(=O)NCCc1cccc(Cl)c1Cl)(C(=O)[O-])c1ccccc1 ZINC001603247119 972404809 /nfs/dbraw/zinc/40/48/09/972404809.db2.gz HUDYSXZIGKAKLS-LJQANCHMSA-N 0 2 395.286 3.242 20 0 GGADLN Cc1cc(Br)c(C(=O)[O-])cc1NC(=O)NCCCCn1cc[nH+]c1 ZINC000392172441 972419609 /nfs/dbraw/zinc/41/96/09/972419609.db2.gz HPSJZOLCDQIOFS-UHFFFAOYSA-N 0 2 395.257 3.254 20 0 GGADLN Cc1nc(NCc2cccc(C(=O)NCc3ccccc3C(=O)[O-])c2)cc[nH+]1 ZINC001594470685 959555057 /nfs/dbraw/zinc/55/50/57/959555057.db2.gz HLEHUCILAQGEKI-UHFFFAOYSA-N 0 2 376.416 3.025 20 0 GGADLN C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C[NH2+][C@](C)(C(=O)[O-])c1ccccc1 ZINC001573642901 959625468 /nfs/dbraw/zinc/62/54/68/959625468.db2.gz LCIWUWMWYFCTSL-XCLFUZPHSA-N 0 2 376.403 3.074 20 0 GGADLN CN(C)c1[nH+]ccc2cc(NC(=O)N[C@H](C(=O)[O-])c3ccc(F)cc3)ccc21 ZINC001604092836 972499477 /nfs/dbraw/zinc/49/94/77/972499477.db2.gz IZMYOTGUSJIBFE-KRWDZBQOSA-N 0 2 382.395 3.387 20 0 GGADLN C[C@H]1CCN(C(=O)Nc2ccc(F)c(C(=O)[O-])c2Cl)C[C@H]1n1cc[nH+]c1 ZINC001573735755 960433072 /nfs/dbraw/zinc/43/30/72/960433072.db2.gz ILSQCVRWEJRWGK-GXFFZTMASA-N 0 2 380.807 3.489 20 0 GGADLN O=C([O-])c1ccc(Cl)c(S(=O)(=O)Nc2ccc(-n3cc[nH+]c3)cc2)c1 ZINC001187541954 960544565 /nfs/dbraw/zinc/54/45/65/960544565.db2.gz POSFBBWQAIQIIT-UHFFFAOYSA-N 0 2 377.809 3.025 20 0 GGADLN CC[C@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)Nc2cncc(C(=O)[O-])c2)CC1 ZINC001573814688 960923760 /nfs/dbraw/zinc/92/37/60/960923760.db2.gz WHEFRGLOPJBIFK-GOSISDBHSA-N 0 2 386.427 3.220 20 0 GGADLN O=C([O-])c1ccc2[nH]c3c(c2c1)CN(C(=O)c1ccc(-n2cc[nH+]c2)cc1)CC3 ZINC000238125857 961114053 /nfs/dbraw/zinc/11/40/53/961114053.db2.gz KOADAJPJVSBCDY-UHFFFAOYSA-N 0 2 386.411 3.250 20 0 GGADLN Cc1cccc([C@@H]([NH2+]CC(=O)Nc2ccc(C)cc2Br)C(=O)[O-])c1 ZINC001574390644 961173846 /nfs/dbraw/zinc/17/38/46/961173846.db2.gz AGLVAMPKUPLQGS-QGZVFWFLSA-N 0 2 391.265 3.420 20 0 GGADLN CCS(=O)(=O)C1CC[NH+](Cc2ccc(-c3ccccc3C(=O)[O-])o2)CC1 ZINC001329357893 961267717 /nfs/dbraw/zinc/26/77/17/961267717.db2.gz 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962447058 /nfs/dbraw/zinc/44/70/58/962447058.db2.gz RTALJWHQCAHCLB-HNAYVOBHSA-N 0 2 388.439 3.293 20 0 GGADLN O=C([O-])[C@H]1CCCN(c2ccc(C[N@H+]3CCO[C@@H](c4ccccc4F)C3)o2)C1 ZINC001574652031 962447078 /nfs/dbraw/zinc/44/70/78/962447078.db2.gz RTALJWHQCAHCLB-HNAYVOBHSA-N 0 2 388.439 3.293 20 0 GGADLN COc1cc2c(cc1OC)[C@H](CC(=O)[O-])[N@H+](Cc1nc(C)sc1C)CC2 ZINC001349591079 962475421 /nfs/dbraw/zinc/47/54/21/962475421.db2.gz FDGVOFNTOXXVFN-INIZCTEOSA-N 0 2 376.478 3.351 20 0 GGADLN COc1cc2c(cc1OC)[C@H](CC(=O)[O-])[N@@H+](Cc1nc(C)sc1C)CC2 ZINC001349591079 962475441 /nfs/dbraw/zinc/47/54/41/962475441.db2.gz FDGVOFNTOXXVFN-INIZCTEOSA-N 0 2 376.478 3.351 20 0 GGADLN COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])[N@H+](Cc1nc(C)sc1C)CC2 ZINC001349591080 962475776 /nfs/dbraw/zinc/47/57/76/962475776.db2.gz FDGVOFNTOXXVFN-MRXNPFEDSA-N 0 2 376.478 3.351 20 0 GGADLN COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])[N@@H+](Cc1nc(C)sc1C)CC2 ZINC001349591080 962475786 /nfs/dbraw/zinc/47/57/86/962475786.db2.gz FDGVOFNTOXXVFN-MRXNPFEDSA-N 0 2 376.478 3.351 20 0 GGADLN O=C([O-])[C@H]1CN(C(=O)N[C@H](Cn2cc[nH+]c2)c2ccccc2)Cc2ccccc21 ZINC001574658037 962480341 /nfs/dbraw/zinc/48/03/41/962480341.db2.gz QFBMRYRUWGTRMQ-VQTJNVASSA-N 0 2 390.443 3.018 20 0 GGADLN CC(C)c1nc([C@H](C)[NH2+][C@@H]2CCN([C@H](C(=O)[O-])c3ccccc3)C2=O)cs1 ZINC001588974854 962684942 /nfs/dbraw/zinc/68/49/42/962684942.db2.gz NVFBZUSITDYMKP-LXZKKBNFSA-N 0 2 387.505 3.344 20 0 GGADLN CC(C)c1nc([C@H](C)[NH2+][C@H]2CCN([C@@H](C(=O)[O-])c3ccccc3)C2=O)cs1 ZINC001588974853 962685371 /nfs/dbraw/zinc/68/53/71/962685371.db2.gz NVFBZUSITDYMKP-JLJPHGGASA-N 0 2 387.505 3.344 20 0 GGADLN C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)NCc2ccc(C(=O)[O-])cc2)C[C@H](C)O1 ZINC000263508147 962689515 /nfs/dbraw/zinc/68/95/15/962689515.db2.gz WNCCZJLIBSEGLK-IYBDPMFKSA-N 0 2 397.475 3.316 20 0 GGADLN C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)NCc2ccc(C(=O)[O-])cc2)C[C@H](C)O1 ZINC000263508147 962689532 /nfs/dbraw/zinc/68/95/32/962689532.db2.gz WNCCZJLIBSEGLK-IYBDPMFKSA-N 0 2 397.475 3.316 20 0 GGADLN C[C@@H]1C[NH+](Cc2ccccc2NC(=O)NCc2ccc(C(=O)[O-])cc2)C[C@@H](C)O1 ZINC000263508145 962689761 /nfs/dbraw/zinc/68/97/61/962689761.db2.gz WNCCZJLIBSEGLK-HZPDHXFCSA-N 0 2 397.475 3.316 20 0 GGADLN O=C([O-])C[N@H+](CC(=O)Nc1nc(-c2c[nH]c3ccccc32)cs1)C1CCC1 ZINC001574711005 962712760 /nfs/dbraw/zinc/71/27/60/962712760.db2.gz JHJVNUZLVFQFLJ-UHFFFAOYSA-N 0 2 384.461 3.169 20 0 GGADLN O=C([O-])C[N@@H+](CC(=O)Nc1nc(-c2c[nH]c3ccccc32)cs1)C1CCC1 ZINC001574711005 962712771 /nfs/dbraw/zinc/71/27/71/962712771.db2.gz JHJVNUZLVFQFLJ-UHFFFAOYSA-N 0 2 384.461 3.169 20 0 GGADLN O=C([O-])c1cccc(NC[C@H](c2ccc(C(F)(F)F)cc2)[NH+]2CCOCC2)n1 ZINC000263536753 962717425 /nfs/dbraw/zinc/71/74/25/962717425.db2.gz ZQZVRONWFSSLBU-MRXNPFEDSA-N 0 2 395.381 3.284 20 0 GGADLN O=C([O-])C[N@H+](CC(=O)N1Cc2ccccc2[C@H](c2ccccc2)C1)C1CCC1 ZINC001574711325 962717085 /nfs/dbraw/zinc/71/70/85/962717085.db2.gz WHNMRPFYBIQPBF-NRFANRHFSA-N 0 2 378.472 3.100 20 0 GGADLN O=C([O-])C[N@@H+](CC(=O)N1Cc2ccccc2[C@H](c2ccccc2)C1)C1CCC1 ZINC001574711325 962717110 /nfs/dbraw/zinc/71/71/10/962717110.db2.gz WHNMRPFYBIQPBF-NRFANRHFSA-N 0 2 378.472 3.100 20 0 GGADLN O=C([O-])C[C@H]1CCC[N@H+](Cc2ncc(Br)cc2Br)C1 ZINC000135398181 967641015 /nfs/dbraw/zinc/64/10/15/967641015.db2.gz QNVWHIUINIEEBE-SECBINFHSA-N 0 2 392.091 3.293 20 0 GGADLN O=C([O-])C[C@H]1CCC[N@@H+](Cc2ncc(Br)cc2Br)C1 ZINC000135398181 967641020 /nfs/dbraw/zinc/64/10/20/967641020.db2.gz QNVWHIUINIEEBE-SECBINFHSA-N 0 2 392.091 3.293 20 0 GGADLN CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)NC[C@H](CC(C)C)C(=O)[O-] ZINC000424427594 968365969 /nfs/dbraw/zinc/36/59/69/968365969.db2.gz VQENTAGYRWAYHV-SFHVURJKSA-N 0 2 390.528 3.076 20 0 GGADLN O=C([O-])CCC(=O)N1CC[NH+]([C@H](c2ccccc2)c2ccccc2Cl)CC1 ZINC000572242568 968449845 /nfs/dbraw/zinc/44/98/45/968449845.db2.gz QEUQFYOJCRUDFK-OAQYLSRUSA-N 0 2 386.879 3.438 20 0 GGADLN Cc1ccc2[nH+]c(CSCC(=O)N[C@@H]3C[C@H](C(=O)[O-])c4ccccc43)cn2c1 ZINC000593924078 968494763 /nfs/dbraw/zinc/49/47/63/968494763.db2.gz UUJKFVVNEVSHCY-ZWKOTPCHSA-N 0 2 395.484 3.305 20 0 GGADLN C[C@@H]1CC[C@H](C(=O)[O-])[N@@H+]1CC(=O)Nc1cc(C2CCCC2)nn1-c1ccccc1 ZINC000650501007 968598681 /nfs/dbraw/zinc/59/86/81/968598681.db2.gz IWYADDROJGLVFZ-DNVCBOLYSA-N 0 2 396.491 3.406 20 0 GGADLN C[C@@H]1CC[C@H](C(=O)[O-])[N@H+]1CC(=O)Nc1cc(C2CCCC2)nn1-c1ccccc1 ZINC000650501007 968598690 /nfs/dbraw/zinc/59/86/90/968598690.db2.gz IWYADDROJGLVFZ-DNVCBOLYSA-N 0 2 396.491 3.406 20 0 GGADLN CC[C@@H](C(=O)[O-])[N@H+](C)CC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000650514324 968604055 /nfs/dbraw/zinc/60/40/55/968604055.db2.gz FBRNNAAXMPLDJD-NSHDSACASA-N 0 2 386.292 3.458 20 0 GGADLN CC[C@@H](C(=O)[O-])[N@@H+](C)CC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000650514324 968604064 /nfs/dbraw/zinc/60/40/64/968604064.db2.gz FBRNNAAXMPLDJD-NSHDSACASA-N 0 2 386.292 3.458 20 0 GGADLN Cn1c(C[N@H+]2Cc3ccccc3[C@H](C(=O)[O-])C2)nnc1-c1ccc(Cl)cc1 ZINC000652470451 968633475 /nfs/dbraw/zinc/63/34/75/968633475.db2.gz XSVJXUPKPAAPTG-QGZVFWFLSA-N 0 2 382.851 3.320 20 0 GGADLN Cn1c(C[N@@H+]2Cc3ccccc3[C@H](C(=O)[O-])C2)nnc1-c1ccc(Cl)cc1 ZINC000652470451 968633484 /nfs/dbraw/zinc/63/34/84/968633484.db2.gz XSVJXUPKPAAPTG-QGZVFWFLSA-N 0 2 382.851 3.320 20 0 GGADLN C[C@H](NC(=O)Nc1nc(C[NH+]2CCCCC2)cs1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000653534592 968670655 /nfs/dbraw/zinc/67/06/55/968670655.db2.gz SPYNLJOQVVFDGZ-AEGPPILISA-N 0 2 394.541 3.386 20 0 GGADLN O=C([O-])c1ccccc1C1CCN(C(=O)NCCc2cn3c([nH+]2)CCCC3)CC1 ZINC000666518093 968839047 /nfs/dbraw/zinc/83/90/47/968839047.db2.gz PQVHSFKYURIQSI-UHFFFAOYSA-N 0 2 396.491 3.049 20 0 GGADLN CC[C@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)NCCC(C)(C)C(=O)[O-])CC1 ZINC000874405362 969384810 /nfs/dbraw/zinc/38/48/10/969384810.db2.gz PDNSGDANQKFSAV-QGZVFWFLSA-N 0 2 379.476 3.105 20 0 GGADLN O=C([O-])C1CCN(c2ccc(C[N@@H+]3CCS[C@H](C(F)(F)F)C3)o2)CC1 ZINC000904258783 969606353 /nfs/dbraw/zinc/60/63/53/969606353.db2.gz SYCSPGUCKHKYLS-ZDUSSCGKSA-N 0 2 378.416 3.060 20 0 GGADLN O=C([O-])C1CCN(c2ccc(C[N@H+]3CCS[C@H](C(F)(F)F)C3)o2)CC1 ZINC000904258783 969606356 /nfs/dbraw/zinc/60/63/56/969606356.db2.gz SYCSPGUCKHKYLS-ZDUSSCGKSA-N 0 2 378.416 3.060 20 0 GGADLN O=C([O-])CC[C@@H]1CCCN(C(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)C1 ZINC001339722850 969737683 /nfs/dbraw/zinc/73/76/83/969737683.db2.gz GAUMOPSLIONVPF-AWEZNQCLSA-N 0 2 390.871 3.312 20 0 GGADLN C[C@@H]1C[C@H](C(=O)[O-])CC[N@@H+]1CC(=O)Nc1ccc(Br)cc1Cl ZINC000318356280 970428018 /nfs/dbraw/zinc/42/80/18/970428018.db2.gz ZFDPDDJZUSEMBR-NXEZZACHSA-N 0 2 389.677 3.226 20 0 GGADLN C[C@@H]1C[C@H](C(=O)[O-])CC[N@H+]1CC(=O)Nc1ccc(Br)cc1Cl ZINC000318356280 970428021 /nfs/dbraw/zinc/42/80/21/970428021.db2.gz ZFDPDDJZUSEMBR-NXEZZACHSA-N 0 2 389.677 3.226 20 0 GGADLN Cc1cc(N2CCCC2)ccc1NC(=O)C[NH2+][C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC001605194415 972920243 /nfs/dbraw/zinc/92/02/43/972920243.db2.gz FKZZAFHIATYGFY-HXUWFJFHSA-N 0 2 385.439 3.088 20 0 GGADLN O=C([O-])[C@H]1C[C@H]([NH2+]Cc2nc3ccccn3c2Br)c2ccccc21 ZINC001605984804 973031098 /nfs/dbraw/zinc/03/10/98/973031098.db2.gz ZFGPDFZNAYOGFF-KBPBESRZSA-N 0 2 386.249 3.500 20 0 GGADLN Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)c2coc(/C=C/C(=O)[O-])c2)c(C)c1 ZINC001605256972 973031997 /nfs/dbraw/zinc/03/19/97/973031997.db2.gz PSFPEWVMNQKWIA-FHHGHWCOSA-N 0 2 379.416 3.362 20 0 GGADLN O=C([O-])[C@H]1CCCN(c2ccc(CNc3ccc([NH+]4CCC(O)CC4)cc3)o2)C1 ZINC001605998202 973075665 /nfs/dbraw/zinc/07/56/65/973075665.db2.gz JTPXPJRENQYALV-INIZCTEOSA-N 0 2 399.491 3.154 20 0 GGADLN O=C([O-])[C@@H]1c2ccccc2CCN1C(=O)[C@H]1CC[C@@H](Nc2cccc[nH+]2)CC1 ZINC001606056247 973167771 /nfs/dbraw/zinc/16/77/71/973167771.db2.gz PQGJTXJVMNHISO-QKLQHJQFSA-N 0 2 379.460 3.263 20 0 GGADLN Cc1nn(-c2ccccc2)c(C)c1NC(=O)C[NH2+][C@@H](C(=O)[O-])c1cccc(C)c1 ZINC001605329888 973204335 /nfs/dbraw/zinc/20/43/35/973204335.db2.gz LQEXXFNJPLZFMQ-OAQYLSRUSA-N 0 2 392.459 3.152 20 0 GGADLN Cc1cccc([C@H]([NH2+]CC(=O)NCc2ccc(F)cc2C(F)(F)F)C(=O)[O-])c1 ZINC001605331955 973213494 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XGCUQEJOOXQNCF-DYESRHJHSA-N 0 2 394.475 3.193 20 0 GGADLN O=C([O-])COc1ccc(C(=O)N[C@H]2CCc3[nH+]c(C4CCCCC4)[nH]c3C2)cc1 ZINC001606287089 973688846 /nfs/dbraw/zinc/68/88/46/973688846.db2.gz TXDDQRHTGIYMME-INIZCTEOSA-N 0 2 397.475 3.208 20 0 GGADLN O=C([O-])COc1ccc(C(=O)N[C@H]2CCc3[nH]c(C4CCCCC4)[nH+]c3C2)cc1 ZINC001606287089 973688853 /nfs/dbraw/zinc/68/88/53/973688853.db2.gz TXDDQRHTGIYMME-INIZCTEOSA-N 0 2 397.475 3.208 20 0 GGADLN O=C([O-])Cc1cccc(NC(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)c1 ZINC001606312330 973726652 /nfs/dbraw/zinc/72/66/52/973726652.db2.gz KYSCGTAWCJIFPO-UHFFFAOYSA-N 0 2 384.823 3.475 20 0 GGADLN COc1cc(OC)cc([C@@H]([NH2+]Cc2ccc(C(=O)[O-])cc2)c2nccn2C)c1 ZINC001604732460 973939435 /nfs/dbraw/zinc/93/94/35/973939435.db2.gz RDXWWOOMOGDDKO-LJQANCHMSA-N 0 2 381.432 3.015 20 0 GGADLN O=C([O-])c1ccc2c(c1)CCCN2C(=O)[C@H](c1ccccc1)[NH+]1CCSCC1 ZINC001606502210 973991979 /nfs/dbraw/zinc/99/19/79/973991979.db2.gz NQFRBSSQIBLEDA-FQEVSTJZSA-N 0 2 396.512 3.454 20 0 GGADLN CC[N@@H+]1CC[C@H](NC(=O)NCCC(C)(C)C(=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000424449536 974037145 /nfs/dbraw/zinc/03/71/45/974037145.db2.gz LKUSLNZPMIXOTA-JKSUJKDBSA-N 0 2 399.894 3.415 20 0 GGADLN CC[N@H+]1CC[C@H](NC(=O)NCCC(C)(C)C(=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000424449536 974037159 /nfs/dbraw/zinc/03/71/59/974037159.db2.gz LKUSLNZPMIXOTA-JKSUJKDBSA-N 0 2 399.894 3.415 20 0 GGADLN O=C([O-])[C@H]([NH2+]CC(=O)NCC1(c2ccccc2)CCCC1)c1ccc(F)cc1 ZINC001605698492 974118437 /nfs/dbraw/zinc/11/84/37/974118437.db2.gz DZLXQIFAUMNLKO-HXUWFJFHSA-N 0 2 384.451 3.169 20 0 GGADLN CC[N@@H+]1CC[C@H](NC(=O)c2ccc(C(=O)[O-])cc2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000455793766 974151431 /nfs/dbraw/zinc/15/14/31/974151431.db2.gz RHGJNFYDPLJPCA-WMZOPIPTSA-N 0 2 392.377 3.367 20 0 GGADLN CC[N@H+]1CC[C@H](NC(=O)c2ccc(C(=O)[O-])cc2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000455793766 974151435 /nfs/dbraw/zinc/15/14/35/974151435.db2.gz RHGJNFYDPLJPCA-WMZOPIPTSA-N 0 2 392.377 3.367 20 0 GGADLN CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(C(=O)[O-])cc2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000455793735 974151651 /nfs/dbraw/zinc/15/16/51/974151651.db2.gz RHGJNFYDPLJPCA-AEFFLSMTSA-N 0 2 392.377 3.367 20 0 GGADLN CC[N@H+]1CC[C@@H](NC(=O)c2ccc(C(=O)[O-])cc2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000455793735 974151655 /nfs/dbraw/zinc/15/16/55/974151655.db2.gz RHGJNFYDPLJPCA-AEFFLSMTSA-N 0 2 392.377 3.367 20 0 GGADLN COCc1ccc([C@H]2CCC[N@@H+]2[C@@H](C(=O)[O-])c2cc(OC)cc(OC)c2)o1 ZINC000516576703 974307541 /nfs/dbraw/zinc/30/75/41/974307541.db2.gz ZCJCIDJZMRYVTJ-IEBWSBKVSA-N 0 2 375.421 3.406 20 0 GGADLN COCc1ccc([C@H]2CCC[N@H+]2[C@@H](C(=O)[O-])c2cc(OC)cc(OC)c2)o1 ZINC000516576703 974307550 /nfs/dbraw/zinc/30/75/50/974307550.db2.gz ZCJCIDJZMRYVTJ-IEBWSBKVSA-N 0 2 375.421 3.406 20 0 GGADLN COCc1ccc([C@@H]2CCC[N@@H+]2[C@@H](C(=O)[O-])c2cc(OC)cc(OC)c2)o1 ZINC000516576705 974307750 /nfs/dbraw/zinc/30/77/50/974307750.db2.gz ZCJCIDJZMRYVTJ-PKOBYXMFSA-N 0 2 375.421 3.406 20 0 GGADLN COCc1ccc([C@@H]2CCC[N@H+]2[C@@H](C(=O)[O-])c2cc(OC)cc(OC)c2)o1 ZINC000516576705 974307756 /nfs/dbraw/zinc/30/77/56/974307756.db2.gz ZCJCIDJZMRYVTJ-PKOBYXMFSA-N 0 2 375.421 3.406 20 0 GGADLN O=C([O-])C1(C(=O)NCc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)CC1 ZINC000563737906 974539018 /nfs/dbraw/zinc/53/90/18/974539018.db2.gz JOFOAYUDMQCPBV-UHFFFAOYSA-N 0 2 375.428 3.079 20 0 GGADLN Cc1cccc(C)c1-n1nnnc1C[N@H+](Cc1ccccc1)C[C@H](C)C(=O)[O-] ZINC000564093497 974543662 /nfs/dbraw/zinc/54/36/62/974543662.db2.gz RTZOYKGOARLVHG-KRWDZBQOSA-N 0 2 379.464 3.002 20 0 GGADLN Cc1cccc(C)c1-n1nnnc1C[N@@H+](Cc1ccccc1)C[C@H](C)C(=O)[O-] ZINC000564093497 974543669 /nfs/dbraw/zinc/54/36/69/974543669.db2.gz RTZOYKGOARLVHG-KRWDZBQOSA-N 0 2 379.464 3.002 20 0 GGADLN COc1ccc(-c2noc(C[NH2+]C3(C(=O)[O-])CCCCCC3)n2)c(OC)c1 ZINC000566625747 974619023 /nfs/dbraw/zinc/61/90/23/974619023.db2.gz ZFGJAXXUHFTTSK-UHFFFAOYSA-N 0 2 375.425 3.021 20 0 GGADLN O=C([O-])c1ccccc1CC1CCN(c2cc(N3CCSCC3)nc[nH+]2)CC1 ZINC000568094333 974662128 /nfs/dbraw/zinc/66/21/28/974662128.db2.gz CLRDYRLLHNOQHG-UHFFFAOYSA-N 0 2 398.532 3.187 20 0 GGADLN O=C([O-])c1ccccc1CC1CCN(c2cc(N3CCSCC3)[nH+]cn2)CC1 ZINC000568094333 974662133 /nfs/dbraw/zinc/66/21/33/974662133.db2.gz CLRDYRLLHNOQHG-UHFFFAOYSA-N 0 2 398.532 3.187 20 0 GGADLN O=C([O-])COc1ccc(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)cc1 ZINC000630156514 975133500 /nfs/dbraw/zinc/13/35/00/975133500.db2.gz HOEDPSVMSKIGLZ-GOSISDBHSA-N 0 2 388.851 3.407 20 0 GGADLN O=C([O-])COc1ccc(NC(=O)[C@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)cc1 ZINC000630156514 975133505 /nfs/dbraw/zinc/13/35/05/975133505.db2.gz HOEDPSVMSKIGLZ-GOSISDBHSA-N 0 2 388.851 3.407 20 0 GGADLN O=C([O-])c1ccc(C(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)cn1 ZINC000642274946 975292581 /nfs/dbraw/zinc/29/25/81/975292581.db2.gz OUYXVUYBZSDVOL-MRXNPFEDSA-N 0 2 391.830 3.139 20 0 GGADLN Cc1sc(N2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)nc1C(=O)[O-] ZINC000649383332 975409897 /nfs/dbraw/zinc/40/98/97/975409897.db2.gz XONGEASROBDEGN-UHFFFAOYSA-N 0 2 385.411 3.491 20 0 GGADLN O=C([O-])c1ccc(Cl)c(C[NH+]2CCN(c3ncnc4ccsc43)CC2)c1 ZINC000652411776 975526594 /nfs/dbraw/zinc/52/65/94/975526594.db2.gz QPUMWLXMBCHLLF-UHFFFAOYSA-N 0 2 388.880 3.365 20 0 GGADLN CC(C)Oc1c(NC(=O)N2CC[C@@H](Oc3cc[nH+]cc3)C2)cccc1C(=O)[O-] ZINC001591744046 975765678 /nfs/dbraw/zinc/76/56/78/975765678.db2.gz IKJXZNKAFHOSLN-OAHLLOKOSA-N 0 2 385.420 3.252 20 0 GGADLN CC(C)Oc1c(NC(=O)N2CC[C@@H](C)[C@@H](n3cc[nH+]c3)C2)cccc1C(=O)[O-] ZINC001591744282 975767827 /nfs/dbraw/zinc/76/78/27/975767827.db2.gz LGPOCNPHSNSSHQ-PBHICJAKSA-N 0 2 386.452 3.484 20 0 GGADLN CC(C)Oc1c(NC(=O)N2CC[C@H](C)[C@H](n3cc[nH+]c3)C2)cccc1C(=O)[O-] ZINC001591744284 975768113 /nfs/dbraw/zinc/76/81/13/975768113.db2.gz LGPOCNPHSNSSHQ-WMLDXEAASA-N 0 2 386.452 3.484 20 0 GGADLN CC(C)Oc1c(NC(=O)NCCc2cn3c([nH+]2)CCCC3)cccc1C(=O)[O-] ZINC001591746250 975780686 /nfs/dbraw/zinc/78/06/86/975780686.db2.gz CEGKJBMVMNNGQQ-UHFFFAOYSA-N 0 2 386.452 3.069 20 0 GGADLN CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)NCc1nc(C[NH+](C)C)cs1 ZINC001591769096 975890064 /nfs/dbraw/zinc/89/00/64/975890064.db2.gz FFCNUOWDRLXJQV-UHFFFAOYSA-N 0 2 392.481 3.012 20 0 GGADLN C[C@@H]1C[NH+](Cc2ccccc2NC(=O)c2cccc(OCC(=O)[O-])c2)C[C@@H](C)O1 ZINC000663113051 975924629 /nfs/dbraw/zinc/92/46/29/975924629.db2.gz SHRXNMHEXQMZED-HZPDHXFCSA-N 0 2 398.459 3.012 20 0 GGADLN CC(C)c1nnc(C[N@H+](CCC(=O)[O-])Cc2cccc(Br)c2)o1 ZINC001592059799 976798680 /nfs/dbraw/zinc/79/86/80/976798680.db2.gz HVCNXSIEOIIGKQ-UHFFFAOYSA-N 0 2 382.258 3.432 20 0 GGADLN CC(C)c1nnc(C[N@@H+](CCC(=O)[O-])Cc2cccc(Br)c2)o1 ZINC001592059799 976798689 /nfs/dbraw/zinc/79/86/89/976798689.db2.gz HVCNXSIEOIIGKQ-UHFFFAOYSA-N 0 2 382.258 3.432 20 0 GGADLN C[C@](CC(=O)[O-])([NH2+]Cc1nc(-c2ccc3c(c2)OCO3)no1)c1cccc(F)c1 ZINC001592329228 977754300 /nfs/dbraw/zinc/75/43/00/977754300.db2.gz FGEYAACEPGMSLC-HXUWFJFHSA-N 0 2 399.378 3.084 20 0 GGADLN C[C@@](CC(=O)[O-])([NH2+]Cc1csc(-c2ccc3c(c2)OCO3)n1)c1ccccn1 ZINC001592329187 977754314 /nfs/dbraw/zinc/75/43/14/977754314.db2.gz DJLVYSAUGVLCOK-FQEVSTJZSA-N 0 2 397.456 3.414 20 0 GGADLN CCc1[nH]c(C(=O)N2CC[NH+]([C@H](C)c3cccc(F)c3)CC2)c(C)c1C(=O)[O-] ZINC000737242120 978390710 /nfs/dbraw/zinc/39/07/10/978390710.db2.gz PUDQUMWHWBWOAM-CQSZACIVSA-N 0 2 387.455 3.242 20 0 GGADLN Cc1cc(Br)ccc1NC(=O)CCNc1ccc(C(=O)[O-])c[nH+]1 ZINC000738201317 978499437 /nfs/dbraw/zinc/49/94/37/978499437.db2.gz ONWWKMKFJDSTTJ-UHFFFAOYSA-N 0 2 378.226 3.291 20 0 GGADLN C[C@@H](CN(Cc1ccccc1)C(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F)C(=O)[O-] ZINC001592602199 978538694 /nfs/dbraw/zinc/53/86/94/978538694.db2.gz KJFSSOBXKUZPIB-DZGCQCFKSA-N 0 2 383.370 3.126 20 0 GGADLN C[C@@H]1C[N@H+](Cn2nc(COc3ccc(Cl)cc3)oc2=S)C[C@@H]1C(=O)[O-] ZINC000828473189 978984453 /nfs/dbraw/zinc/98/44/53/978984453.db2.gz UKASHUOLTLSNAG-MFKMUULPSA-N 0 2 383.857 3.048 20 0 GGADLN C[C@@H]1C[N@@H+](Cn2nc(COc3ccc(Cl)cc3)oc2=S)C[C@@H]1C(=O)[O-] ZINC000828473189 978984456 /nfs/dbraw/zinc/98/44/56/978984456.db2.gz UKASHUOLTLSNAG-MFKMUULPSA-N 0 2 383.857 3.048 20 0 GGADLN Cn1cc[nH+]c1C[C@@H](NC(=O)Nc1cc(C(=O)[O-])ccc1F)c1ccccc1 ZINC000833058538 979075671 /nfs/dbraw/zinc/07/56/71/979075671.db2.gz PWUNWQUAWAQHKM-MRXNPFEDSA-N 0 2 382.395 3.363 20 0 GGADLN O=C([O-])[C@@H](c1ccccc1F)[NH+]1CCN(C(=O)c2ccc(Cl)cc2F)CC1 ZINC000833174195 979107486 /nfs/dbraw/zinc/10/74/86/979107486.db2.gz MOOWFXWZAHJWFM-QGZVFWFLSA-N 0 2 394.805 3.202 20 0 GGADLN O=C([O-])C[C@@H]1CCC[N@@H+]1Cn1nc(-c2cccnc2)n(Cc2ccco2)c1=S ZINC000833211117 979119195 /nfs/dbraw/zinc/11/91/95/979119195.db2.gz CXYXLVWQZLAOTJ-HNNXBMFYSA-N 0 2 399.476 3.014 20 0 GGADLN O=C([O-])C[C@@H]1CCC[N@H+]1Cn1nc(-c2cccnc2)n(Cc2ccco2)c1=S ZINC000833211117 979119200 /nfs/dbraw/zinc/11/92/00/979119200.db2.gz CXYXLVWQZLAOTJ-HNNXBMFYSA-N 0 2 399.476 3.014 20 0 GGADLN O=C([O-])C[C@H]1CCC[N@@H+]1Cn1[nH]c(-c2ccccc2Br)nc1=S ZINC000833212245 979120428 /nfs/dbraw/zinc/12/04/28/979120428.db2.gz XRUNXRWEMPYCTR-SNVBAGLBSA-N 0 2 397.298 3.267 20 0 GGADLN O=C([O-])C[C@H]1CCC[N@H+]1Cn1[nH]c(-c2ccccc2Br)nc1=S ZINC000833212245 979120431 /nfs/dbraw/zinc/12/04/31/979120431.db2.gz XRUNXRWEMPYCTR-SNVBAGLBSA-N 0 2 397.298 3.267 20 0 GGADLN CCOc1ccccc1C[N@@H+]1CCN(CCOc2ccccc2C(=O)[O-])[C@@H](C)C1 ZINC000836693560 979246939 /nfs/dbraw/zinc/24/69/39/979246939.db2.gz SDXNMJCIXWDPGT-SFHVURJKSA-N 0 2 398.503 3.369 20 0 GGADLN CCOc1ccccc1C[N@H+]1CCN(CCOc2ccccc2C(=O)[O-])[C@@H](C)C1 ZINC000836693560 979246947 /nfs/dbraw/zinc/24/69/47/979246947.db2.gz SDXNMJCIXWDPGT-SFHVURJKSA-N 0 2 398.503 3.369 20 0 GGADLN O=C([O-])c1ccccc1OCC[N@@H+]1CCO[C@@H](c2ccc(OC(F)F)cc2)C1 ZINC000836696661 979246978 /nfs/dbraw/zinc/24/69/78/979246978.db2.gz AESGULNIWJKPIA-GOSISDBHSA-N 0 2 393.386 3.439 20 0 GGADLN O=C([O-])c1ccccc1OCC[N@H+]1CCO[C@@H](c2ccc(OC(F)F)cc2)C1 ZINC000836696661 979246982 /nfs/dbraw/zinc/24/69/82/979246982.db2.gz AESGULNIWJKPIA-GOSISDBHSA-N 0 2 393.386 3.439 20 0 GGADLN CCOc1ccccc1C[N@@H+]1CCN(C(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)[C@@H](C)C1 ZINC000842680186 979325914 /nfs/dbraw/zinc/32/59/14/979325914.db2.gz XYMASTLVVCFZMM-KSZLIROESA-N 0 2 388.508 3.009 20 0 GGADLN CCOc1ccccc1C[N@H+]1CCN(C(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)[C@@H](C)C1 ZINC000842680186 979325922 /nfs/dbraw/zinc/32/59/22/979325922.db2.gz XYMASTLVVCFZMM-KSZLIROESA-N 0 2 388.508 3.009 20 0 GGADLN COc1ccccc1[C@H]1C[N@H+](CCOc2ccc(/C=C/C(=O)[O-])cc2)CCO1 ZINC000872163713 980056921 /nfs/dbraw/zinc/05/69/21/980056921.db2.gz KXGBRNJQWDIKPU-OGECGYFKSA-N 0 2 383.444 3.245 20 0 GGADLN COc1ccccc1[C@H]1C[N@@H+](CCOc2ccc(/C=C/C(=O)[O-])cc2)CCO1 ZINC000872163713 980056926 /nfs/dbraw/zinc/05/69/26/980056926.db2.gz KXGBRNJQWDIKPU-OGECGYFKSA-N 0 2 383.444 3.245 20 0 GGADLN Cc1ccc(S(=O)(=O)C2CC[NH+](Cc3ccccc3CC(=O)[O-])CC2)cc1 ZINC000872166410 980061870 /nfs/dbraw/zinc/06/18/70/980061870.db2.gz WYDRGBQCVYJBPC-UHFFFAOYSA-N 0 2 387.501 3.060 20 0 GGADLN C[C@@H](NC(=O)[C@H](C)[N@H+](C)Cc1ccc(C(=O)[O-])cn1)c1cc2ccccc2o1 ZINC001592990298 980177874 /nfs/dbraw/zinc/17/78/74/980177874.db2.gz PQKOQXDHSADTIH-KGLIPLIRSA-N 0 2 381.432 3.224 20 0 GGADLN C[C@@H](NC(=O)[C@H](C)[N@@H+](C)Cc1ccc(C(=O)[O-])cn1)c1cc2ccccc2o1 ZINC001592990298 980177880 /nfs/dbraw/zinc/17/78/80/980177880.db2.gz PQKOQXDHSADTIH-KGLIPLIRSA-N 0 2 381.432 3.224 20 0 GGADLN CC[C@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)NC2CCC(C(=O)[O-])CC2)CC1 ZINC000874405141 980182540 /nfs/dbraw/zinc/18/25/40/980182540.db2.gz OYPGMSZXKPVNKL-NKELODKYSA-N 0 2 391.487 3.247 20 0 GGADLN COc1ccc(C)cc1C[NH+]1CCN(c2ncc(C(=O)[O-])cc2Cl)CC1 ZINC000900985907 980257305 /nfs/dbraw/zinc/25/73/05/980257305.db2.gz QYWHZHQHUGLZME-UHFFFAOYSA-N 0 2 375.856 3.072 20 0 GGADLN Cc1ccc(C(=O)N2CC[NH+](Cc3ccnc4c(C(=O)[O-])cccc34)CC2)s1 ZINC000901426284 980270513 /nfs/dbraw/zinc/27/05/13/980270513.db2.gz GKLXOCBIHDMMFE-UHFFFAOYSA-N 0 2 395.484 3.261 20 0 GGADLN C[C@H](NC(=O)C[NH2+][C@](C)(C(=O)[O-])c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC001593029614 980301209 /nfs/dbraw/zinc/30/12/09/980301209.db2.gz VKRKTNNEKBCAAL-BUXKBTBVSA-N 0 2 378.831 3.246 20 0 GGADLN O=C([O-])C[C@@H]1C[N@H+](Cc2cn(Cc3ccccc3)nc2-c2cccs2)CCO1 ZINC000901501166 980319831 /nfs/dbraw/zinc/31/98/31/980319831.db2.gz FNWCKDGMSKXINX-GOSISDBHSA-N 0 2 397.500 3.335 20 0 GGADLN O=C([O-])C[C@@H]1C[N@@H+](Cc2cn(Cc3ccccc3)nc2-c2cccs2)CCO1 ZINC000901501166 980319840 /nfs/dbraw/zinc/31/98/40/980319840.db2.gz FNWCKDGMSKXINX-GOSISDBHSA-N 0 2 397.500 3.335 20 0 GGADLN CC[C@]([NH2+]CC(=O)N([C@@H](C)C1CC1)C1CC1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595282079 980341197 /nfs/dbraw/zinc/34/11/97/980341197.db2.gz CWSKBRGSQOUGSE-RNODOKPDSA-N 0 2 378.900 3.409 20 0 GGADLN C[C@@H](Oc1ccc(CN2CC[NH+](Cc3cc4ccccc4[nH]3)CC2)cc1)C(=O)[O-] ZINC000901544586 980373506 /nfs/dbraw/zinc/37/35/06/980373506.db2.gz XCZLOPAYBVRFQU-QGZVFWFLSA-N 0 2 393.487 3.338 20 0 GGADLN C[N@@H+]1CC[C@H](NC(=O)Cc2ccccc2C(=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000901619454 980409467 /nfs/dbraw/zinc/40/94/67/980409467.db2.gz VJXFJBASUCRHRJ-PKOBYXMFSA-N 0 2 390.842 3.281 20 0 GGADLN C[N@H+]1CC[C@H](NC(=O)Cc2ccccc2C(=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000901619454 980409473 /nfs/dbraw/zinc/40/94/73/980409473.db2.gz VJXFJBASUCRHRJ-PKOBYXMFSA-N 0 2 390.842 3.281 20 0 GGADLN CC[C@@H]([NH2+]Cc1nc2cc(C(=O)[O-])ccc2c(=O)[nH]1)c1cc(F)ccc1OC ZINC001595306182 980456074 /nfs/dbraw/zinc/45/60/74/980456074.db2.gz VXJCBDZEPHIWOU-OAHLLOKOSA-N 0 2 385.395 3.422 20 0 GGADLN COc1sc(C[NH2+][C@H](C(=O)[O-])c2cccc(OC)c2)cc1Br ZINC000901756119 980488008 /nfs/dbraw/zinc/48/80/08/980488008.db2.gz OGPLPKZSAZXGFX-ZDUSSCGKSA-N 0 2 386.267 3.443 20 0 GGADLN C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)Cc2ccccc2C(=O)[O-])C[C@H](C)O1 ZINC000901964625 980654363 /nfs/dbraw/zinc/65/43/63/980654363.db2.gz CEWJRZMUQOLZJY-IYBDPMFKSA-N 0 2 382.460 3.175 20 0 GGADLN C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)Cc2ccccc2C(=O)[O-])C[C@H](C)O1 ZINC000901964625 980654367 /nfs/dbraw/zinc/65/43/67/980654367.db2.gz CEWJRZMUQOLZJY-IYBDPMFKSA-N 0 2 382.460 3.175 20 0 GGADLN COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])[N@H+](Cc1nc3c(s1)CCC3)CC2 ZINC000902000634 980675894 /nfs/dbraw/zinc/67/58/94/980675894.db2.gz BJBRMKQFNSOQSE-OAHLLOKOSA-N 0 2 388.489 3.223 20 0 GGADLN COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])[N@@H+](Cc1nc3c(s1)CCC3)CC2 ZINC000902000634 980675898 /nfs/dbraw/zinc/67/58/98/980675898.db2.gz BJBRMKQFNSOQSE-OAHLLOKOSA-N 0 2 388.489 3.223 20 0 GGADLN O=C([O-])C[C@H]1COCC[N@@H+]1Cc1cn(Cc2ccccc2)nc1-c1cccs1 ZINC000902001376 980678395 /nfs/dbraw/zinc/67/83/95/980678395.db2.gz GIWLMCIBLHEITF-SFHVURJKSA-N 0 2 397.500 3.335 20 0 GGADLN O=C([O-])C[C@H]1COCC[N@H+]1Cc1cn(Cc2ccccc2)nc1-c1cccs1 ZINC000902001376 980678399 /nfs/dbraw/zinc/67/83/99/980678399.db2.gz GIWLMCIBLHEITF-SFHVURJKSA-N 0 2 397.500 3.335 20 0 GGADLN Cc1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+]2CCOC[C@H]2CC(=O)[O-])o1 ZINC000902001623 980678644 /nfs/dbraw/zinc/67/86/44/980678644.db2.gz HGPNFSDDBZMRRY-GOSISDBHSA-N 0 2 381.432 3.116 20 0 GGADLN Cc1ccc(-c2nn(-c3ccccc3)cc2C[N@H+]2CCOC[C@H]2CC(=O)[O-])o1 ZINC000902001623 980678645 /nfs/dbraw/zinc/67/86/45/980678645.db2.gz HGPNFSDDBZMRRY-GOSISDBHSA-N 0 2 381.432 3.116 20 0 GGADLN CC[C@@H](c1ccc(F)cc1F)[NH+]1CCN([C@@H](C(=O)[O-])c2cccnc2)CC1 ZINC001595359558 980742336 /nfs/dbraw/zinc/74/23/36/980742336.db2.gz DJYRRFCTPYUGFU-RBUKOAKNSA-N 0 2 375.419 3.254 20 0 GGADLN C[C@@H]([NH2+]Cc1cc(C(=O)[O-])co1)c1cc2c(cc1Br)OCCO2 ZINC000902150420 980758226 /nfs/dbraw/zinc/75/82/26/980758226.db2.gz IBXCJDBKXBHJRA-SECBINFHSA-N 0 2 382.210 3.362 20 0 GGADLN CC[N@H+](CC(=O)Nc1c(C)cccc1C)Cc1c(C)nn(CCC(=O)[O-])c1C ZINC000902311929 980828103 /nfs/dbraw/zinc/82/81/03/980828103.db2.gz IUWAVHYTQMRGKI-UHFFFAOYSA-N 0 2 386.496 3.052 20 0 GGADLN CC[N@@H+](CC(=O)Nc1c(C)cccc1C)Cc1c(C)nn(CCC(=O)[O-])c1C ZINC000902311929 980828104 /nfs/dbraw/zinc/82/81/04/980828104.db2.gz IUWAVHYTQMRGKI-UHFFFAOYSA-N 0 2 386.496 3.052 20 0 GGADLN CC[N@H+](Cc1ccc(-c2ccccc2C(=O)[O-])o1)[C@H](C)CS(=O)(=O)CC ZINC000902519250 980917513 /nfs/dbraw/zinc/91/75/13/980917513.db2.gz UHNUYCQKZDHYCJ-CQSZACIVSA-N 0 2 379.478 3.290 20 0 GGADLN CC[N@@H+](Cc1ccc(-c2ccccc2C(=O)[O-])o1)[C@H](C)CS(=O)(=O)CC ZINC000902519250 980917514 /nfs/dbraw/zinc/91/75/14/980917514.db2.gz UHNUYCQKZDHYCJ-CQSZACIVSA-N 0 2 379.478 3.290 20 0 GGADLN O=C([O-])/C=C/c1ccc(C[N@@H+]2CCCC[C@@H]2C(=O)Nc2ccc3c(c2)CCO3)o1 ZINC000902521241 980918827 /nfs/dbraw/zinc/91/88/27/980918827.db2.gz OMFZPFGKFPBHAI-QRBZPYHOSA-N 0 2 396.443 3.306 20 0 GGADLN O=C([O-])/C=C/c1ccc(C[N@H+]2CCCC[C@@H]2C(=O)Nc2ccc3c(c2)CCO3)o1 ZINC000902521241 980918833 /nfs/dbraw/zinc/91/88/33/980918833.db2.gz OMFZPFGKFPBHAI-QRBZPYHOSA-N 0 2 396.443 3.306 20 0 GGADLN O=C([O-])/C=C\c1ccc(C[N@@H+]2CCCC[C@H]2C(=O)Nc2ccc3c(c2)CCO3)o1 ZINC000902521239 980919097 /nfs/dbraw/zinc/91/90/97/980919097.db2.gz OMFZPFGKFPBHAI-FUKPKEADSA-N 0 2 396.443 3.306 20 0 GGADLN O=C([O-])/C=C\c1ccc(C[N@H+]2CCCC[C@H]2C(=O)Nc2ccc3c(c2)CCO3)o1 ZINC000902521239 980919101 /nfs/dbraw/zinc/91/91/01/980919101.db2.gz OMFZPFGKFPBHAI-FUKPKEADSA-N 0 2 396.443 3.306 20 0 GGADLN CC[C@H]1C[N@H+](CC(=O)Nc2sc3c(c2C(=O)[O-])CC[C@H](C)C3)CCCO1 ZINC001595484286 981218509 /nfs/dbraw/zinc/21/85/09/981218509.db2.gz WPCWQWVDZWESLI-STQMWFEESA-N 0 2 380.510 3.011 20 0 GGADLN CC[C@H]1C[N@@H+](CC(=O)Nc2sc3c(c2C(=O)[O-])CC[C@H](C)C3)CCCO1 ZINC001595484286 981218513 /nfs/dbraw/zinc/21/85/13/981218513.db2.gz WPCWQWVDZWESLI-STQMWFEESA-N 0 2 380.510 3.011 20 0 GGADLN O=C([O-])C1CC2(C1)C[C@@H](NC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1)CCS2 ZINC000908179896 981280508 /nfs/dbraw/zinc/28/05/08/981280508.db2.gz KTFYTEMZHQPFLT-GWWPLSDWSA-N 0 2 399.516 3.177 20 0 GGADLN O=C([O-])C1CC2(C1)C[C@@H](NC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)CCS2 ZINC000908179897 981280534 /nfs/dbraw/zinc/28/05/34/981280534.db2.gz KTFYTEMZHQPFLT-JWRWLIQVSA-N 0 2 399.516 3.177 20 0 GGADLN O=C([O-])[C@@H](CNC(=O)c1ccc(NCCn2cc[nH+]c2)cc1)CC1CCCC1 ZINC000908290358 981297568 /nfs/dbraw/zinc/29/75/68/981297568.db2.gz WWYCXLLPJBPHDW-GOSISDBHSA-N 0 2 384.480 3.006 20 0 GGADLN C[N@@H+]1CCC[C@@H]1c1cc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(C(C)(C)C)cc2)[nH]n1 ZINC000909007475 981402414 /nfs/dbraw/zinc/40/24/14/981402414.db2.gz XFXIMQNQZHIEIF-QFBILLFUSA-N 0 2 398.507 3.420 20 0 GGADLN C[N@H+]1CCC[C@@H]1c1cc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(C(C)(C)C)cc2)[nH]n1 ZINC000909007475 981402416 /nfs/dbraw/zinc/40/24/16/981402416.db2.gz XFXIMQNQZHIEIF-QFBILLFUSA-N 0 2 398.507 3.420 20 0 GGADLN CC[C@H](C(=O)NCc1c2ccccc2sc1C(=O)[O-])[N@@H+]1CCO[C@@H](CC)C1 ZINC000909214256 981433987 /nfs/dbraw/zinc/43/39/87/981433987.db2.gz MFUIEGLLTQPWSK-XJKSGUPXSA-N 0 2 390.505 3.105 20 0 GGADLN CC[C@H](C(=O)NCc1c2ccccc2sc1C(=O)[O-])[N@H+]1CCO[C@@H](CC)C1 ZINC000909214256 981433990 /nfs/dbraw/zinc/43/39/90/981433990.db2.gz MFUIEGLLTQPWSK-XJKSGUPXSA-N 0 2 390.505 3.105 20 0 GGADLN Cc1cn(C(C)(C)C(=O)NC[C@H](Cc2cccc3ccccc32)C(=O)[O-])c[nH+]1 ZINC000909269341 981456010 /nfs/dbraw/zinc/45/60/10/981456010.db2.gz YYMFECLAIDFRNC-SFHVURJKSA-N 0 2 379.460 3.140 20 0 GGADLN CC[C@H](C(=O)[O-])C(=O)N1CC[NH+](Cc2ccc(-c3ccccc3F)s2)CC1 ZINC001594745031 981629060 /nfs/dbraw/zinc/62/90/60/981629060.db2.gz IOSKBMBJTCHEIR-HNNXBMFYSA-N 0 2 390.480 3.309 20 0 GGADLN CC[C@@](CNC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1)(C(=O)[O-])c1ccccc1 ZINC000909845170 981669226 /nfs/dbraw/zinc/66/92/26/981669226.db2.gz JFTNVIMNPVMVAY-CVDCTZTESA-N 0 2 391.471 3.481 20 0 GGADLN CC[N@@H+]1CCc2nc3ccccc3c(C(=O)NCc3ccc(C(=O)[O-])s3)c2C1 ZINC000909847153 981673081 /nfs/dbraw/zinc/67/30/81/981673081.db2.gz QCLKZDTZGOPYSY-UHFFFAOYSA-N 0 2 395.484 3.303 20 0 GGADLN CC[N@H+]1CCc2nc3ccccc3c(C(=O)NCc3ccc(C(=O)[O-])s3)c2C1 ZINC000909847153 981673090 /nfs/dbraw/zinc/67/30/90/981673090.db2.gz QCLKZDTZGOPYSY-UHFFFAOYSA-N 0 2 395.484 3.303 20 0 GGADLN O=C([O-])[C@]1(c2ccccc2)CCN(C(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)C1 ZINC000909857225 981682593 /nfs/dbraw/zinc/68/25/93/981682593.db2.gz NKXKPZYLBQRPBM-AUSIDOKSSA-N 0 2 389.455 3.187 20 0 GGADLN O=C([O-])[C@@]1(c2ccccc2)CCN(C(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)C1 ZINC000909857235 981682753 /nfs/dbraw/zinc/68/27/53/981682753.db2.gz NKXKPZYLBQRPBM-XXBNENTESA-N 0 2 389.455 3.187 20 0 GGADLN CC(C)CN(CC(C)(C)C(=O)[O-])C(=O)c1ccc(NCCn2cc[nH+]c2)cc1 ZINC000910506256 981971110 /nfs/dbraw/zinc/97/11/10/981971110.db2.gz FGKOZKKOMPZOFK-UHFFFAOYSA-N 0 2 386.496 3.204 20 0 GGADLN Cc1cn(C(C)(C)C(=O)Nc2ncc(Cc3cccc(C(=O)[O-])c3)s2)c[nH+]1 ZINC000910634620 982034759 /nfs/dbraw/zinc/03/47/59/982034759.db2.gz OBIKZHQKPHPAHO-UHFFFAOYSA-N 0 2 384.461 3.311 20 0 GGADLN C[C@@H]1CCN(C(=O)c2cc(Br)cc(C(=O)[O-])c2)C[C@H]1n1cc[nH+]c1 ZINC000910685603 982061716 /nfs/dbraw/zinc/06/17/16/982061716.db2.gz CHOGQSRJFKWCDX-IAQYHMDHSA-N 0 2 392.253 3.067 20 0 GGADLN Cc1oc(C(=O)[O-])cc1C(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000911135474 982254539 /nfs/dbraw/zinc/25/45/39/982254539.db2.gz FKOPGACWAIFCNZ-UHFFFAOYSA-N 0 2 376.840 3.288 20 0 GGADLN Cc1oc(C(=O)[O-])cc1C(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000911135474 982254544 /nfs/dbraw/zinc/25/45/44/982254544.db2.gz FKOPGACWAIFCNZ-UHFFFAOYSA-N 0 2 376.840 3.288 20 0 GGADLN Cc1cc(C(=O)[O-])oc1C(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000911136032 982255672 /nfs/dbraw/zinc/25/56/72/982255672.db2.gz LWUUPQITIWLPCO-UHFFFAOYSA-N 0 2 376.840 3.288 20 0 GGADLN Cc1cc(C(=O)[O-])oc1C(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000911136032 982255675 /nfs/dbraw/zinc/25/56/75/982255675.db2.gz LWUUPQITIWLPCO-UHFFFAOYSA-N 0 2 376.840 3.288 20 0 GGADLN O=C([O-])c1ccnc(C(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)c1 ZINC000911190892 982275539 /nfs/dbraw/zinc/27/55/39/982275539.db2.gz JWNXKXHWGLJPQO-MRXNPFEDSA-N 0 2 391.830 3.139 20 0 GGADLN O=C([O-])c1ccnc(C(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)c1 ZINC000911190890 982276204 /nfs/dbraw/zinc/27/62/04/982276204.db2.gz JWNXKXHWGLJPQO-INIZCTEOSA-N 0 2 391.830 3.139 20 0 GGADLN C[C@@H]1C[NH+](Cc2ccccc2NC(=O)c2ccc(/C=C/C(=O)[O-])o2)C[C@@H](C)O1 ZINC000911205912 982284088 /nfs/dbraw/zinc/28/40/88/982284088.db2.gz IBFSKMCWADRUBK-QSTFCLMHSA-N 0 2 384.432 3.239 20 0 GGADLN O=C([O-])CCc1ccccc1C(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000911234346 982304719 /nfs/dbraw/zinc/30/47/19/982304719.db2.gz HMNXUYYKNYVUBO-TWGQIWQCSA-N 0 2 378.472 3.175 20 0 GGADLN O=C([O-])c1ccccc1CCC(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000911350848 982374230 /nfs/dbraw/zinc/37/42/30/982374230.db2.gz NDABIIZBQOJFLG-UHFFFAOYSA-N 0 2 381.476 3.409 20 0 GGADLN Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)c1cc(C(=O)[O-])ccc1Cl ZINC000911410241 982420572 /nfs/dbraw/zinc/42/05/72/982420572.db2.gz XJWUNLZGRSXAMC-UHFFFAOYSA-N 0 2 388.851 3.431 20 0 GGADLN CCOc1ccccc1C[N@@H+]1CCN(C(=O)c2cccc(CC(=O)[O-])c2)[C@H](C)C1 ZINC000911574789 982512345 /nfs/dbraw/zinc/51/23/45/982512345.db2.gz RLAFNAQVUPABGN-QGZVFWFLSA-N 0 2 396.487 3.059 20 0 GGADLN CCOc1ccccc1C[N@H+]1CCN(C(=O)c2cccc(CC(=O)[O-])c2)[C@H](C)C1 ZINC000911574789 982512350 /nfs/dbraw/zinc/51/23/50/982512350.db2.gz RLAFNAQVUPABGN-QGZVFWFLSA-N 0 2 396.487 3.059 20 0 GGADLN CCCn1cc[nH+]c1CCCN(C)C(=O)c1[nH]c2ccccc2c1CC(=O)[O-] ZINC000911575064 982512429 /nfs/dbraw/zinc/51/24/29/982512429.db2.gz YQZOMGZSKNBRBP-UHFFFAOYSA-N 0 2 382.464 3.106 20 0 GGADLN CC[C@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cc(C(=O)[O-])co1 ZINC001594931916 982571960 /nfs/dbraw/zinc/57/19/60/982571960.db2.gz ZIFAUBVJPQTYIC-KBXCAEBGSA-N 0 2 385.464 3.054 20 0 GGADLN CC[C@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cc(C(=O)[O-])co1 ZINC001594931916 982571969 /nfs/dbraw/zinc/57/19/69/982571969.db2.gz ZIFAUBVJPQTYIC-KBXCAEBGSA-N 0 2 385.464 3.054 20 0 GGADLN CCCCn1c(SCC2(C(=O)[O-])CCOCC2)nnc1[C@@H](CC)[NH+](C)C ZINC001595802276 982618561 /nfs/dbraw/zinc/61/85/61/982618561.db2.gz GHCXBVBTXVGBGM-CQSZACIVSA-N 0 2 384.546 3.064 20 0 GGADLN CCC[N@H+](CC(=O)[O-])CC(=O)N1N=C(c2cccs2)C[C@H]1c1cccs1 ZINC001595854352 982782429 /nfs/dbraw/zinc/78/24/29/982782429.db2.gz KODSNGMZCWGPFJ-AWEZNQCLSA-N 0 2 391.518 3.284 20 0 GGADLN CCC[N@@H+](CC(=O)[O-])CC(=O)N1N=C(c2cccs2)C[C@H]1c1cccs1 ZINC001595854352 982782439 /nfs/dbraw/zinc/78/24/39/982782439.db2.gz KODSNGMZCWGPFJ-AWEZNQCLSA-N 0 2 391.518 3.284 20 0 GGADLN CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1ccc(F)c(C(=O)[O-])c1F ZINC001596118217 983451705 /nfs/dbraw/zinc/45/17/05/983451705.db2.gz MYQSRNHWBYBFNT-UHFFFAOYSA-N 0 2 380.395 3.366 20 0 GGADLN CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1nc(C(C)(C)C(=O)[O-])cs1 ZINC001596118267 983452134 /nfs/dbraw/zinc/45/21/34/983452134.db2.gz PWNQUISLBJXSJP-UHFFFAOYSA-N 0 2 393.513 3.208 20 0 GGADLN CCN(C(=O)C[NH2+][C@@](C)(C(=O)[O-])c1ccccc1)c1nc2ccccc2s1 ZINC001596142494 983493894 /nfs/dbraw/zinc/49/38/94/983493894.db2.gz ALXAUQMSFLYEIZ-HXUWFJFHSA-N 0 2 383.473 3.239 20 0 GGADLN CC[N@H+](CC(=O)Nc1c(F)cccc1F)Cc1ccccc1O[C@@H](C)C(=O)[O-] ZINC001596208462 983598557 /nfs/dbraw/zinc/59/85/57/983598557.db2.gz YYUXPKUYFQBYCM-ZDUSSCGKSA-N 0 2 392.402 3.277 20 0 GGADLN CC[N@@H+](CC(=O)Nc1c(F)cccc1F)Cc1ccccc1O[C@@H](C)C(=O)[O-] ZINC001596208462 983598558 /nfs/dbraw/zinc/59/85/58/983598558.db2.gz YYUXPKUYFQBYCM-ZDUSSCGKSA-N 0 2 392.402 3.277 20 0 GGADLN CC[N@@H+]1CC[C@H](NC(=O)CC(C)(C)CC(=O)[O-])[C@@H]1c1cc(F)c(F)c(F)c1 ZINC001596409619 983995015 /nfs/dbraw/zinc/99/50/15/983995015.db2.gz PUYPIQLFTCBWDN-KSSFIOAISA-N 0 2 386.414 3.246 20 0 GGADLN CC[N@H+]1CC[C@H](NC(=O)CC(C)(C)CC(=O)[O-])[C@@H]1c1cc(F)c(F)c(F)c1 ZINC001596409619 983995018 /nfs/dbraw/zinc/99/50/18/983995018.db2.gz PUYPIQLFTCBWDN-KSSFIOAISA-N 0 2 386.414 3.246 20 0 GGADLN CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(C(=O)[O-])n2C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001596410826 984004350 /nfs/dbraw/zinc/00/43/50/984004350.db2.gz VBTXKOMBKZWVGT-PBHICJAKSA-N 0 2 393.846 3.081 20 0 GGADLN CC[N@H+]1CC[C@@H](NC(=O)c2ccc(C(=O)[O-])n2C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001596410826 984004359 /nfs/dbraw/zinc/00/43/59/984004359.db2.gz VBTXKOMBKZWVGT-PBHICJAKSA-N 0 2 393.846 3.081 20 0 GGADLN CCOC(=O)c1ccc(NC(=O)C[N@@H+]2[C@H](C(=O)[O-])CC[C@H]2c2ccccc2)cc1 ZINC001596723445 984969399 /nfs/dbraw/zinc/96/93/99/984969399.db2.gz BXCDGMHICFSCIX-OALUTQOASA-N 0 2 396.443 3.092 20 0 GGADLN CCOC(=O)c1ccc(NC(=O)C[N@H+]2[C@H](C(=O)[O-])CC[C@H]2c2ccccc2)cc1 ZINC001596723445 984969401 /nfs/dbraw/zinc/96/94/01/984969401.db2.gz BXCDGMHICFSCIX-OALUTQOASA-N 0 2 396.443 3.092 20 0 GGADLN CC(=O)N(c1nc(C[NH2+][C@@](C)(CC(=O)[O-])c2cccc(F)c2)cs1)C1CC1 ZINC001589054703 985153886 /nfs/dbraw/zinc/15/38/86/985153886.db2.gz STYFTXUAOFDBTA-IBGZPJMESA-N 0 2 391.468 3.277 20 0 GGADLN CC(=O)N(c1nc(C[NH2+][C@@H](CC(F)(F)F)C(=O)[O-])cs1)c1ccccc1 ZINC001589054763 985154852 /nfs/dbraw/zinc/15/48/52/985154852.db2.gz XFGSHKXLSOONFO-ZDUSSCGKSA-N 0 2 387.383 3.323 20 0 GGADLN CC1=[NH+]C(=C([O-])C(=C(S)NCC2CCC2)[n+]2ccccc2)C(C)=C1C(=O)[O-] ZINC001599942391 985470551 /nfs/dbraw/zinc/47/05/51/985470551.db2.gz HZFWLANDPUBHSJ-UHFFFAOYSA-O 0 2 386.497 3.065 20 0 GGADLN Cc1[nH]c(C(=O)[C@H](C)[N@@H+]2CC[C@@H](C(=O)OC(C)(C)C)[C@H](C)C2)c(C)c1C(=O)[O-] ZINC001599943310 985482803 /nfs/dbraw/zinc/48/28/03/985482803.db2.gz AMWLJOSKVSIJAR-BYCMXARLSA-N 0 2 392.496 3.201 20 0 GGADLN Cc1[nH]c(C(=O)[C@H](C)[N@H+]2CC[C@@H](C(=O)OC(C)(C)C)[C@H](C)C2)c(C)c1C(=O)[O-] ZINC001599943310 985482806 /nfs/dbraw/zinc/48/28/06/985482806.db2.gz AMWLJOSKVSIJAR-BYCMXARLSA-N 0 2 392.496 3.201 20 0 GGADLN Cc1[nH]c(C(=O)C[N@@H+](Cc2cccc(F)c2)C[C@H]2CCCO2)c(C)c1C(=O)[O-] ZINC001599944987 985510170 /nfs/dbraw/zinc/51/01/70/985510170.db2.gz SAMVKUMMNKTMSP-QGZVFWFLSA-N 0 2 388.439 3.333 20 0 GGADLN Cc1[nH]c(C(=O)C[N@H+](Cc2cccc(F)c2)C[C@H]2CCCO2)c(C)c1C(=O)[O-] ZINC001599944987 985510178 /nfs/dbraw/zinc/51/01/78/985510178.db2.gz SAMVKUMMNKTMSP-QGZVFWFLSA-N 0 2 388.439 3.333 20 0 GGADLN Cc1[nH]c(C(=O)[C@@H](C)[N@@H+]2CCCN(c3ccccc3F)CC2)c(C)c1C(=O)[O-] ZINC001599946836 985541515 /nfs/dbraw/zinc/54/15/15/985541515.db2.gz XCXGPCSBVKQHSZ-OAHLLOKOSA-N 0 2 387.455 3.252 20 0 GGADLN Cc1[nH]c(C(=O)[C@@H](C)[N@H+]2CCCN(c3ccccc3F)CC2)c(C)c1C(=O)[O-] ZINC001599946836 985541521 /nfs/dbraw/zinc/54/15/21/985541521.db2.gz XCXGPCSBVKQHSZ-OAHLLOKOSA-N 0 2 387.455 3.252 20 0 GGADLN CCO[C@H]1CCC[N@H+](CC(=O)Nc2sc3c(c2C(=O)[O-])CC[C@H](C)C3)C1 ZINC001596854644 985599474 /nfs/dbraw/zinc/59/94/74/985599474.db2.gz GUUNXUXVNUYKBN-STQMWFEESA-N 0 2 380.510 3.011 20 0 GGADLN CCO[C@H]1CCC[N@@H+](CC(=O)Nc2sc3c(c2C(=O)[O-])CC[C@H](C)C3)C1 ZINC001596854644 985599484 /nfs/dbraw/zinc/59/94/84/985599484.db2.gz GUUNXUXVNUYKBN-STQMWFEESA-N 0 2 380.510 3.011 20 0 GGADLN Cc1[nH]c(C(=O)N[C@@H]2CCc3[nH+]c(C4CCCCC4)[nH]c3C2)c(C)c1C(=O)[O-] ZINC001599952099 985626043 /nfs/dbraw/zinc/62/60/43/985626043.db2.gz GEXSWUNMSCNASP-CQSZACIVSA-N 0 2 384.480 3.388 20 0 GGADLN Cc1[nH]c(C(=O)N[C@@H]2CCc3[nH]c(C4CCCCC4)[nH+]c3C2)c(C)c1C(=O)[O-] ZINC001599952099 985626049 /nfs/dbraw/zinc/62/60/49/985626049.db2.gz GEXSWUNMSCNASP-CQSZACIVSA-N 0 2 384.480 3.388 20 0 GGADLN Cc1[nH]c(C(=O)[O-])cc1C(=O)C[NH+]1CCC(Cc2nc3c(s2)CCC3)CC1 ZINC001599958351 985728188 /nfs/dbraw/zinc/72/81/88/985728188.db2.gz ALRMEJJJJLQTRN-UHFFFAOYSA-N 0 2 387.505 3.104 20 0 GGADLN Cc1[nH]c(C[NH+]2CCN(Cc3cccc(C(F)(F)F)c3)CC2)cc1C(=O)[O-] ZINC001599962255 985807462 /nfs/dbraw/zinc/80/74/62/985807462.db2.gz FEHYUKXFPNEMEU-UHFFFAOYSA-N 0 2 381.398 3.358 20 0 GGADLN Cc1[nH]c(C[N@@H+]2CCO[C@H](c3ccc(Br)cc3)C2)cc1C(=O)[O-] ZINC001599962289 985811011 /nfs/dbraw/zinc/81/10/11/985811011.db2.gz FTMMCOCBNSWDMH-INIZCTEOSA-N 0 2 379.254 3.357 20 0 GGADLN Cc1[nH]c(C[N@H+]2CCO[C@H](c3ccc(Br)cc3)C2)cc1C(=O)[O-] ZINC001599962289 985811018 /nfs/dbraw/zinc/81/10/18/985811018.db2.gz FTMMCOCBNSWDMH-INIZCTEOSA-N 0 2 379.254 3.357 20 0 GGADLN CCOCCCN(c1cc[nH+]cc1)S(=O)(=O)c1cccc(Cl)c1C(=O)[O-] ZINC001596914663 985930822 /nfs/dbraw/zinc/93/08/22/985930822.db2.gz FGVMUSONAHVKIK-UHFFFAOYSA-N 0 2 398.868 3.055 20 0 GGADLN CC(=O)c1ccc(NC(=O)C[NH2+][C@]2(C(=O)[O-])CC[C@H](C)c3ccccc32)cc1 ZINC001589301312 986058263 /nfs/dbraw/zinc/05/82/63/986058263.db2.gz UCNHRBLBYYXVAW-RCDICMHDSA-N 0 2 380.444 3.295 20 0 GGADLN C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N[C@@H]2CCC[C@H]2CC(=O)[O-])C[C@@H](C)O1 ZINC001594543755 986194484 /nfs/dbraw/zinc/19/44/84/986194484.db2.gz AVLFKTAJSYDOPZ-XLMAVXFVSA-N 0 2 389.496 3.061 20 0 GGADLN C[C@H]1C[NH+](Cc2ccccc2NC(=O)N[C@@H]2CCC[C@H]2CC(=O)[O-])C[C@H](C)O1 ZINC001594543748 986194895 /nfs/dbraw/zinc/19/48/95/986194895.db2.gz AVLFKTAJSYDOPZ-NBOOPKSLSA-N 0 2 389.496 3.061 20 0 GGADLN C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N[C@H]2CC[C@@H](CC(=O)[O-])C2)C[C@@H](C)O1 ZINC001594544746 986203270 /nfs/dbraw/zinc/20/32/70/986203270.db2.gz LUAATSNLVDQRTL-KONPQCLYSA-N 0 2 389.496 3.061 20 0 GGADLN Cc1c(C(=O)[O-])cc(C[NH+]2CCN([C@H](C)c3ccc(F)cc3F)CC2)n1C ZINC001599984848 986215599 /nfs/dbraw/zinc/21/55/99/986215599.db2.gz FMBQNOBKOGDDKJ-CQSZACIVSA-N 0 2 377.435 3.189 20 0 GGADLN CCOc1cc(C(=O)[O-])ccc1NC(=O)NCCc1cn2cccc(C)c2[nH+]1 ZINC001597020457 986400525 /nfs/dbraw/zinc/40/05/25/986400525.db2.gz JVODQYMCTYWCQZ-UHFFFAOYSA-N 0 2 382.420 3.104 20 0 GGADLN C[C@@H]1CN(c2ccc(NCc3cc(C(=O)[O-])c4n3CCCC4)c[nH+]2)C[C@@H](C)O1 ZINC001594574910 986408657 /nfs/dbraw/zinc/40/86/57/986408657.db2.gz GNKAABWBMWHTGE-HUUCEWRRSA-N 0 2 384.480 3.143 20 0 GGADLN C[C@H]1CN(c2ccc(NCc3c4ccccc4[nH]c3C(=O)[O-])c[nH+]2)C[C@H](C)O1 ZINC001594575557 986411827 /nfs/dbraw/zinc/41/18/27/986411827.db2.gz MTAAPERFHVUJMA-KBPBESRZSA-N 0 2 380.448 3.487 20 0 GGADLN C[C@@H](C(=O)N1c2ccccc2CC[C@@H]1C)[N@@H+]1CCOc2c(cccc2C(=O)[O-])C1 ZINC001589373834 986423502 /nfs/dbraw/zinc/42/35/02/986423502.db2.gz GJCWAKOCVMMFPW-HOTGVXAUSA-N 0 2 394.471 3.336 20 0 GGADLN C[C@@H](C(=O)N1c2ccccc2CC[C@@H]1C)[N@H+]1CCOc2c(cccc2C(=O)[O-])C1 ZINC001589373834 986423508 /nfs/dbraw/zinc/42/35/08/986423508.db2.gz GJCWAKOCVMMFPW-HOTGVXAUSA-N 0 2 394.471 3.336 20 0 GGADLN C[C@@H](C(=O)Nc1cc(F)ccc1F)[N@@H+]1CCC[C@@H](c2ncc(C(=O)[O-])s2)C1 ZINC001589431326 986727902 /nfs/dbraw/zinc/72/79/02/986727902.db2.gz GWXQZUBULHQGDD-WDEREUQCSA-N 0 2 395.431 3.326 20 0 GGADLN C[C@@H](C(=O)Nc1cc(F)ccc1F)[N@H+]1CCC[C@@H](c2ncc(C(=O)[O-])s2)C1 ZINC001589431326 986727915 /nfs/dbraw/zinc/72/79/15/986727915.db2.gz GWXQZUBULHQGDD-WDEREUQCSA-N 0 2 395.431 3.326 20 0 GGADLN CCOc1ccc(NC(=O)C[NH2+][C@@H](C(=O)[O-])c2ccc(C(F)(F)F)cc2)cc1 ZINC001597112995 986784966 /nfs/dbraw/zinc/78/49/66/986784966.db2.gz ZVENWMVXICUTJU-QGZVFWFLSA-N 0 2 396.365 3.458 20 0 GGADLN C[C@H](C(=O)Nc1ccccc1Cl)[N@H+]1C[C@H](C(F)(F)F)C[C@H](C(=O)[O-])C1 ZINC001589443853 986791264 /nfs/dbraw/zinc/79/12/64/986791264.db2.gz CERYFYIOOKMNOA-OUAUKWLOSA-N 0 2 378.778 3.252 20 0 GGADLN C[C@H](C(=O)Nc1ccccc1Cl)[N@@H+]1C[C@H](C(F)(F)F)C[C@H](C(=O)[O-])C1 ZINC001589443853 986791273 /nfs/dbraw/zinc/79/12/73/986791273.db2.gz CERYFYIOOKMNOA-OUAUKWLOSA-N 0 2 378.778 3.252 20 0 GGADLN C[C@@H]1[C@H](C)OCC[N@@H+]1Cc1cn(-c2ccc(Cl)c(Cl)c2)nc1C(=O)[O-] ZINC001594648214 986850253 /nfs/dbraw/zinc/85/02/53/986850253.db2.gz GHLPIDNNXYCPEG-MNOVXSKESA-N 0 2 384.263 3.487 20 0 GGADLN C[C@@H]1[C@H](C)OCC[N@H+]1Cc1cn(-c2ccc(Cl)c(Cl)c2)nc1C(=O)[O-] ZINC001594648214 986850262 /nfs/dbraw/zinc/85/02/62/986850262.db2.gz GHLPIDNNXYCPEG-MNOVXSKESA-N 0 2 384.263 3.487 20 0 GGADLN C[C@H]1OCC[N@H+](Cc2cn(-c3ccc(Cl)c(Cl)c3)nc2C(=O)[O-])[C@H]1C ZINC001594648216 986850648 /nfs/dbraw/zinc/85/06/48/986850648.db2.gz GHLPIDNNXYCPEG-WDEREUQCSA-N 0 2 384.263 3.487 20 0 GGADLN C[C@H]1OCC[N@@H+](Cc2cn(-c3ccc(Cl)c(Cl)c3)nc2C(=O)[O-])[C@H]1C ZINC001594648216 986850662 /nfs/dbraw/zinc/85/06/62/986850662.db2.gz GHLPIDNNXYCPEG-WDEREUQCSA-N 0 2 384.263 3.487 20 0 GGADLN CCOc1ccc2c(c1)C[N@H+]([C@@H](C)C(=O)Nc1cc(C(=O)[O-])ccc1C)CC2 ZINC001597142642 986887887 /nfs/dbraw/zinc/88/78/87/986887887.db2.gz DTJVAWZMVVQVMA-HNNXBMFYSA-N 0 2 382.460 3.477 20 0 GGADLN CCOc1ccc2c(c1)C[N@@H+]([C@@H](C)C(=O)Nc1cc(C(=O)[O-])ccc1C)CC2 ZINC001597142642 986887895 /nfs/dbraw/zinc/88/78/95/986887895.db2.gz DTJVAWZMVVQVMA-HNNXBMFYSA-N 0 2 382.460 3.477 20 0 GGADLN CCOc1ccc2c(c1)C[N@H+]([C@H](C)C(=O)Nc1cc(C(=O)[O-])ccc1C)CC2 ZINC001597142643 986888625 /nfs/dbraw/zinc/88/86/25/986888625.db2.gz DTJVAWZMVVQVMA-OAHLLOKOSA-N 0 2 382.460 3.477 20 0 GGADLN CCOc1ccc2c(c1)C[N@@H+]([C@H](C)C(=O)Nc1cc(C(=O)[O-])ccc1C)CC2 ZINC001597142643 986888636 /nfs/dbraw/zinc/88/86/36/986888636.db2.gz DTJVAWZMVVQVMA-OAHLLOKOSA-N 0 2 382.460 3.477 20 0 GGADLN CCOc1ccccc1C[N@@H+]1CCN(C(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)[C@@H](C)C1 ZINC001597172011 986999325 /nfs/dbraw/zinc/99/93/25/986999325.db2.gz BFHAKELGOIELRN-BZSNNMDCSA-N 0 2 388.508 3.009 20 0 GGADLN CCOc1ccccc1C[N@H+]1CCN(C(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)[C@@H](C)C1 ZINC001597172011 986999331 /nfs/dbraw/zinc/99/93/31/986999331.db2.gz BFHAKELGOIELRN-BZSNNMDCSA-N 0 2 388.508 3.009 20 0 GGADLN CCOc1ccccc1CN1CC[N@H+](Cc2cc(C(=O)[O-])c(C)n2C)[C@@H](C)C1 ZINC001597172909 987008581 /nfs/dbraw/zinc/00/85/81/987008581.db2.gz SWKMHGRGWBRXSH-INIZCTEOSA-N 0 2 385.508 3.137 20 0 GGADLN CCOc1ccccc1CN1CC[N@@H+](Cc2cc(C(=O)[O-])c(C)n2C)[C@@H](C)C1 ZINC001597172909 987008588 /nfs/dbraw/zinc/00/85/88/987008588.db2.gz SWKMHGRGWBRXSH-INIZCTEOSA-N 0 2 385.508 3.137 20 0 GGADLN CCOc1ccccc1CN(CCCn1cc[nH+]c1)C(=O)c1cc(C(=O)[O-])co1 ZINC001597172881 987009495 /nfs/dbraw/zinc/00/94/95/987009495.db2.gz SMHBZJIWIJSSQC-UHFFFAOYSA-N 0 2 397.431 3.306 20 0 GGADLN C[C@@H](C(=O)[O-])[N@H+](Cc1nc(-c2ccc(Br)s2)no1)C1CCC1 ZINC001589486724 987033078 /nfs/dbraw/zinc/03/30/78/987033078.db2.gz LKEKKMPHERXWJN-QMMMGPOBSA-N 0 2 386.271 3.388 20 0 GGADLN C[C@@H](C(=O)[O-])[N@@H+](Cc1nc(-c2ccc(Br)s2)no1)C1CCC1 ZINC001589486724 987033091 /nfs/dbraw/zinc/03/30/91/987033091.db2.gz LKEKKMPHERXWJN-QMMMGPOBSA-N 0 2 386.271 3.388 20 0 GGADLN CCOc1ccccc1Nc1nn(C[N@H+]2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)c(=S)s1 ZINC001597179847 987040622 /nfs/dbraw/zinc/04/06/22/987040622.db2.gz KGGAQSPQPMIZLT-YABSGUDNSA-N 0 2 392.506 3.036 20 0 GGADLN CCOc1ccccc1Nc1nn(C[N@@H+]2C[C@H]3[C@H](C(=O)[O-])[C@H]3C2)c(=S)s1 ZINC001597179847 987040633 /nfs/dbraw/zinc/04/06/33/987040633.db2.gz KGGAQSPQPMIZLT-YABSGUDNSA-N 0 2 392.506 3.036 20 0 GGADLN C[C@H](C(=O)[O-])c1ccc(NC(=O)NCc2ccccc2Cn2cc[nH+]c2)cc1 ZINC001589513104 987155093 /nfs/dbraw/zinc/15/50/93/987155093.db2.gz ZKUQHZHVHSPHNI-HNNXBMFYSA-N 0 2 378.432 3.441 20 0 GGADLN CC(C)(C(=O)[O-])[C@H](NC(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F)c1ccccc1 ZINC001589592164 987401000 /nfs/dbraw/zinc/40/10/00/987401000.db2.gz QOTTWOLMDOECQK-UKRRQHHQSA-N 0 2 383.370 3.345 20 0 GGADLN CC(C)(C(=O)[O-])c1csc(NC(=O)N2CCC(Nc3cccc[nH+]3)CC2)n1 ZINC001589655018 987610713 /nfs/dbraw/zinc/61/07/13/987610713.db2.gz NMQKKSAATKDGGQ-UHFFFAOYSA-N 0 2 389.481 3.009 20 0 GGADLN CC(C)(C)[C@@H]1CC[N@H+](CC(=O)Nc2sc3c(c2C(=O)[O-])CCC3)CCO1 ZINC001589732765 987967814 /nfs/dbraw/zinc/96/78/14/987967814.db2.gz WREXTRYSYMVWRU-AWEZNQCLSA-N 0 2 380.510 3.011 20 0 GGADLN CC(C)(C)[C@@H]1CC[N@@H+](CC(=O)Nc2sc3c(c2C(=O)[O-])CCC3)CCO1 ZINC001589732765 987967820 /nfs/dbraw/zinc/96/78/20/987967820.db2.gz WREXTRYSYMVWRU-AWEZNQCLSA-N 0 2 380.510 3.011 20 0 GGADLN CC(C)(C)CCNC(=O)C[NH2+][C@](C)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001589776680 988136548 /nfs/dbraw/zinc/13/65/48/988136548.db2.gz BIJAYKRKWWXOSS-KRWDZBQOSA-N 0 2 375.296 3.435 20 0 GGADLN CC(C)(C)NC(=O)[C@H]1CCC[N@@H+]1Cc1csc(-c2ccc(C(=O)[O-])cc2)n1 ZINC001589824539 988289120 /nfs/dbraw/zinc/28/91/20/988289120.db2.gz GKLTWTKMBBORMU-MRXNPFEDSA-N 0 2 387.505 3.387 20 0 GGADLN CC(C)(C)NC(=O)[C@H]1CCC[N@H+]1Cc1csc(-c2ccc(C(=O)[O-])cc2)n1 ZINC001589824539 988289133 /nfs/dbraw/zinc/28/91/33/988289133.db2.gz GKLTWTKMBBORMU-MRXNPFEDSA-N 0 2 387.505 3.387 20 0 GGADLN CSc1ccc([C@H](CNC(=O)CC(=O)[O-])[N@@H+]2CCc3sccc3C2)cc1 ZINC001599811353 988339645 /nfs/dbraw/zinc/33/96/45/988339645.db2.gz DENIBOAUUJSSGW-INIZCTEOSA-N 0 2 390.530 3.160 20 0 GGADLN CSc1ccc([C@H](CNC(=O)CC(=O)[O-])[N@H+]2CCc3sccc3C2)cc1 ZINC001599811353 988339657 /nfs/dbraw/zinc/33/96/57/988339657.db2.gz DENIBOAUUJSSGW-INIZCTEOSA-N 0 2 390.530 3.160 20 0 GGADLN CCc1ccccc1NC(=O)[C@@H](C)[N@@H+]1CCN(c2ccc(C(=O)[O-])cc2)C[C@H]1C ZINC001597610963 988506312 /nfs/dbraw/zinc/50/63/12/988506312.db2.gz HRJNBMURTLSPHX-IAGOWNOFSA-N 0 2 395.503 3.485 20 0 GGADLN CCc1ccccc1NC(=O)[C@@H](C)[N@H+]1CCN(c2ccc(C(=O)[O-])cc2)C[C@H]1C ZINC001597610963 988506321 /nfs/dbraw/zinc/50/63/21/988506321.db2.gz HRJNBMURTLSPHX-IAGOWNOFSA-N 0 2 395.503 3.485 20 0 GGADLN CCc1nc(N2CCOc3c(Br)cc(C(=O)[O-])cc3C2)cc(C)[nH+]1 ZINC001597660997 988729632 /nfs/dbraw/zinc/72/96/32/988729632.db2.gz KKRPJUNPOLXIEY-UHFFFAOYSA-N 0 2 392.253 3.207 20 0 GGADLN CCc1oc(C(=O)[O-])cc1C[NH2+][C@@H](c1ccc(C)cc1)[C@@H](C)S(C)(=O)=O ZINC001597767395 989220261 /nfs/dbraw/zinc/22/02/61/989220261.db2.gz LJCGJNVRWRGWCS-FZKQIMNGSA-N 0 2 379.478 3.113 20 0 GGADLN C[C@@H]1Cc2ccccc2N(C(=O)c2cccc(Cn3cc[nH+]c3)c2)[C@@H]1C(=O)[O-] ZINC001599880466 989477199 /nfs/dbraw/zinc/47/71/99/989477199.db2.gz OZNWDTRYEUDRJZ-QRWLVFNGSA-N 0 2 375.428 3.224 20 0 GGADLN CCn1c(-c2cccnc2)nn(C[N@@H+]2CCC[C@@H](C(C)(C)C(=O)[O-])C2)c1=S ZINC001597827512 989485524 /nfs/dbraw/zinc/48/55/24/989485524.db2.gz PWPUWDIRTFVLEX-OAHLLOKOSA-N 0 2 389.525 3.276 20 0 GGADLN CCn1c(-c2cccnc2)nn(C[N@H+]2CCC[C@@H](C(C)(C)C(=O)[O-])C2)c1=S ZINC001597827512 989485531 /nfs/dbraw/zinc/48/55/31/989485531.db2.gz PWPUWDIRTFVLEX-OAHLLOKOSA-N 0 2 389.525 3.276 20 0 GGADLN CCn1c(-c2cccnc2)nn(C[N@@H+]2CCC[C@H](C(C)(C)C(=O)[O-])C2)c1=S ZINC001597827511 989485840 /nfs/dbraw/zinc/48/58/40/989485840.db2.gz PWPUWDIRTFVLEX-HNNXBMFYSA-N 0 2 389.525 3.276 20 0 GGADLN CCn1c(-c2cccnc2)nn(C[N@H+]2CCC[C@H](C(C)(C)C(=O)[O-])C2)c1=S ZINC001597827511 989485844 /nfs/dbraw/zinc/48/58/44/989485844.db2.gz PWPUWDIRTFVLEX-HNNXBMFYSA-N 0 2 389.525 3.276 20 0 GGADLN C[C@@]1(C(=O)[O-])CCC[N@@H+]1CC(=O)Nc1cc(C2CCCC2)nn1-c1ccccc1 ZINC001599884010 989525214 /nfs/dbraw/zinc/52/52/14/989525214.db2.gz RIHILRBQPFDMTI-QFIPXVFZSA-N 0 2 396.491 3.408 20 0 GGADLN C[C@@]1(C(=O)[O-])CCC[N@H+]1CC(=O)Nc1cc(C2CCCC2)nn1-c1ccccc1 ZINC001599884010 989525226 /nfs/dbraw/zinc/52/52/26/989525226.db2.gz RIHILRBQPFDMTI-QFIPXVFZSA-N 0 2 396.491 3.408 20 0 GGADLN CCn1c(C[NH2+]Cc2oc(Br)cc2C(=O)[O-])nc2ccccc21 ZINC001597853745 989604153 /nfs/dbraw/zinc/60/41/53/989604153.db2.gz PNIZTTDSDHZKLP-UHFFFAOYSA-N 0 2 378.226 3.400 20 0 GGADLN CC(C)(C)OC(=O)[C@@H]1CCCC[N@@H+]1CCOc1ccc(/C=C/C(=O)[O-])cc1 ZINC001590328577 989761981 /nfs/dbraw/zinc/76/19/81/989761981.db2.gz DWOWZRTWWIGNBE-PEKVBPLLSA-N 0 2 375.465 3.359 20 0 GGADLN CC(C)(C)OC(=O)[C@@H]1CCCC[N@H+]1CCOc1ccc(/C=C/C(=O)[O-])cc1 ZINC001590328577 989761986 /nfs/dbraw/zinc/76/19/86/989761986.db2.gz DWOWZRTWWIGNBE-PEKVBPLLSA-N 0 2 375.465 3.359 20 0 GGADLN CCn1ccc(C[N@H+](C)CC(=O)Nc2sc3c(c2C(=O)[O-])CCCC3)c1 ZINC001597904249 989785131 /nfs/dbraw/zinc/78/51/31/989785131.db2.gz FTTGYBSTUHBGPP-UHFFFAOYSA-N 0 2 375.494 3.217 20 0 GGADLN CCn1ccc(C[N@@H+](C)CC(=O)Nc2sc3c(c2C(=O)[O-])CCCC3)c1 ZINC001597904249 989785137 /nfs/dbraw/zinc/78/51/37/989785137.db2.gz FTTGYBSTUHBGPP-UHFFFAOYSA-N 0 2 375.494 3.217 20 0 GGADLN CC(C)(C)OC(=O)[C@H]1CCCC[N@@H+]1CCOc1ccc(/C=C/C(=O)[O-])cc1 ZINC001590343064 989790800 /nfs/dbraw/zinc/79/08/00/989790800.db2.gz DWOWZRTWWIGNBE-ZPHJMFTNSA-N 0 2 375.465 3.359 20 0 GGADLN CC(C)(C)OC(=O)[C@H]1CCCC[N@H+]1CCOc1ccc(/C=C/C(=O)[O-])cc1 ZINC001590343064 989790808 /nfs/dbraw/zinc/79/08/08/989790808.db2.gz DWOWZRTWWIGNBE-ZPHJMFTNSA-N 0 2 375.465 3.359 20 0 GGADLN CN(C(=O)[C@H]1CCc2[nH+]ccn2C1)[C@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC001598004428 990150469 /nfs/dbraw/zinc/15/04/69/990150469.db2.gz ZPMKGXMHUFQCPM-BONVTDFDSA-N 0 2 382.247 3.037 20 0 GGADLN CC(C)(C)c1[nH]c2ccc(NS(=O)(=O)c3ccc(CC(=O)[O-])cc3)cc2[nH+]1 ZINC001590545305 990179750 /nfs/dbraw/zinc/17/97/50/990179750.db2.gz BVOMYAOOKVHOES-UHFFFAOYSA-N 0 2 387.461 3.288 20 0 GGADLN CN(C(=O)C[NH2+][C@H](c1ccccc1)c1ccccn1)c1ccccc1C(=O)[O-] ZINC001598025130 990234581 /nfs/dbraw/zinc/23/45/81/990234581.db2.gz NCQIDSCCQXKOCC-OAQYLSRUSA-N 0 2 375.428 3.122 20 0 GGADLN CC(C)([NH2+]Cc1ccc(OCC(F)(F)F)c(F)c1)c1nocc1C(=O)[O-] ZINC001590872355 990779461 /nfs/dbraw/zinc/77/94/61/990779461.db2.gz CUXSLMOQLZWXFD-UHFFFAOYSA-N 0 2 376.306 3.478 20 0 GGADLN CC(C)[C@H](CNC(=O)C[N@@H+]1CCc2c(F)ccc(C(=O)[O-])c2C1)c1ccccc1 ZINC001590982203 991147638 /nfs/dbraw/zinc/14/76/38/991147638.db2.gz HBLUGAOHWJAWJO-IBGZPJMESA-N 0 2 398.478 3.438 20 0 GGADLN CC(C)[C@H](CNC(=O)C[N@H+]1CCc2c(F)ccc(C(=O)[O-])c2C1)c1ccccc1 ZINC001590982203 991147645 /nfs/dbraw/zinc/14/76/45/991147645.db2.gz HBLUGAOHWJAWJO-IBGZPJMESA-N 0 2 398.478 3.438 20 0 GGADLN COc1ccccc1-c1noc([C@H](C)[NH2+]Cc2ccc(O[C@@H](C)C(=O)[O-])cc2)n1 ZINC001599696026 991149734 /nfs/dbraw/zinc/14/97/34/991149734.db2.gz NKZJSMBIIBTTSV-KBPBESRZSA-N 0 2 397.431 3.448 20 0 GGADLN COc1ccccc1-n1cnn(C[N@@H+]2CCC[C@H](C(C)(C)C(=O)[O-])C2)c1=S ZINC001599696175 991152399 /nfs/dbraw/zinc/15/23/99/991152399.db2.gz PMFUZHYKVCWTQP-AWEZNQCLSA-N 0 2 390.509 3.192 20 0 GGADLN COc1ccccc1-n1cnn(C[N@H+]2CCC[C@H](C(C)(C)C(=O)[O-])C2)c1=S ZINC001599696175 991152402 /nfs/dbraw/zinc/15/24/02/991152402.db2.gz PMFUZHYKVCWTQP-AWEZNQCLSA-N 0 2 390.509 3.192 20 0 GGADLN COc1ccccc1-c1noc([C@@H](C)[NH2+][C@H](Cc2ccc(F)cc2)C(=O)[O-])n1 ZINC001599696180 991152763 /nfs/dbraw/zinc/15/27/63/991152763.db2.gz PSBRSDZCKKZVBG-MLGOLLRUSA-N 0 2 385.395 3.231 20 0 GGADLN COc1ccccc1[C@@H](C)N(C)C(=O)C[NH2+][C@H](C(=O)[O-])c1ccc(F)c(C)c1 ZINC001599697920 991176032 /nfs/dbraw/zinc/17/60/32/991176032.db2.gz IESKFIQHGYDNLT-VLIAUNLRSA-N 0 2 388.439 3.078 20 0 GGADLN COc1ccccc1[C@H](C)N(C)C(=O)C[NH2+][C@H](C(=O)[O-])c1ccc(F)c(C)c1 ZINC001599697922 991176112 /nfs/dbraw/zinc/17/61/12/991176112.db2.gz IESKFIQHGYDNLT-XOBRGWDASA-N 0 2 388.439 3.078 20 0 GGADLN CN(C)c1c(C[NH+]2CCN(c3ccc(C(=O)[O-])s3)CC2)ccc(F)c1F ZINC001598284036 991178343 /nfs/dbraw/zinc/17/83/43/991178343.db2.gz WFBZYGQXGCHHOG-UHFFFAOYSA-N 0 2 381.448 3.113 20 0 GGADLN COc1ccccc1C[C@H](CNc1nc(C)[nH+]c(C)c1Br)C(=O)[O-] ZINC001599708277 991326387 /nfs/dbraw/zinc/32/63/87/991326387.db2.gz YCDCOFQSRHBHSC-CYBMUJFWSA-N 0 2 394.269 3.220 20 0 GGADLN COc1ccccc1C[NH+]1CCN(C(=O)Nc2ccc([C@H](C)C(=O)[O-])cc2)CC1 ZINC001599711491 991379329 /nfs/dbraw/zinc/37/93/29/991379329.db2.gz BSCQWKREAZJYTH-INIZCTEOSA-N 0 2 397.475 3.233 20 0 GGADLN C[N@H+](CC(=O)N[C@@H](c1ccccc1)C1CCCC1)Cc1ccc(C(=O)[O-])cn1 ZINC001598387465 991621674 /nfs/dbraw/zinc/62/16/74/991621674.db2.gz ZUONNEWFDBKEQI-NRFANRHFSA-N 0 2 381.476 3.259 20 0 GGADLN C[N@@H+](CC(=O)N[C@@H](c1ccccc1)C1CCCC1)Cc1ccc(C(=O)[O-])cn1 ZINC001598387465 991621681 /nfs/dbraw/zinc/62/16/81/991621681.db2.gz ZUONNEWFDBKEQI-NRFANRHFSA-N 0 2 381.476 3.259 20 0 GGADLN COc1nc(C)cc(C)c1C[N@H+](C)Cc1oc(Br)cc1C(=O)[O-] ZINC001599729139 991680842 /nfs/dbraw/zinc/68/08/42/991680842.db2.gz JLIDJLUPGAAYTH-UHFFFAOYSA-N 0 2 383.242 3.393 20 0 GGADLN COc1nc(C)cc(C)c1C[N@@H+](C)Cc1oc(Br)cc1C(=O)[O-] ZINC001599729139 991680849 /nfs/dbraw/zinc/68/08/49/991680849.db2.gz JLIDJLUPGAAYTH-UHFFFAOYSA-N 0 2 383.242 3.393 20 0 GGADLN C[N@H+](CC(=O)Nc1ccccc1C(=O)[O-])Cc1cc(Br)cs1 ZINC001598399820 991687143 /nfs/dbraw/zinc/68/71/43/991687143.db2.gz DAOUNKAICYCPEN-UHFFFAOYSA-N 0 2 383.267 3.279 20 0 GGADLN C[N@@H+](CC(=O)Nc1ccccc1C(=O)[O-])Cc1cc(Br)cs1 ZINC001598399820 991687147 /nfs/dbraw/zinc/68/71/47/991687147.db2.gz DAOUNKAICYCPEN-UHFFFAOYSA-N 0 2 383.267 3.279 20 0 GGADLN COc1nc(C[N@@H+]2Cc3cccc(Br)c3C[C@H]2C(=O)[O-])ccc1C ZINC001599730240 991700043 /nfs/dbraw/zinc/70/00/43/991700043.db2.gz KZPWPJPTBDEGGO-INIZCTEOSA-N 0 2 391.265 3.173 20 0 GGADLN COc1nc(C[N@H+]2Cc3cccc(Br)c3C[C@H]2C(=O)[O-])ccc1C ZINC001599730240 991700048 /nfs/dbraw/zinc/70/00/48/991700048.db2.gz KZPWPJPTBDEGGO-INIZCTEOSA-N 0 2 391.265 3.173 20 0 GGADLN CC(C)C[C@H](C(=O)N[C@@H](C(=O)[O-])c1ccc(C(F)(F)F)cc1)n1cc[nH+]c1 ZINC001591118429 991783959 /nfs/dbraw/zinc/78/39/59/991783959.db2.gz SMBOTJWSCFRAAP-HUUCEWRRSA-N 0 2 383.370 3.431 20 0 GGADLN C[N@H+](C[C@H](O)CCC1(O)CCC1)[C@@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC001598432723 991802616 /nfs/dbraw/zinc/80/26/16/991802616.db2.gz JRWISWVSOZJXBL-IAQYHMDHSA-N 0 2 376.280 3.107 20 0 GGADLN C[N@@H+](C[C@H](O)CCC1(O)CCC1)[C@@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC001598432723 991802625 /nfs/dbraw/zinc/80/26/25/991802625.db2.gz JRWISWVSOZJXBL-IAQYHMDHSA-N 0 2 376.280 3.107 20 0 GGADLN C[N@H+](C[C@@H](O)CCC1(O)CCC1)[C@@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC001598432725 991802770 /nfs/dbraw/zinc/80/27/70/991802770.db2.gz JRWISWVSOZJXBL-XHDPSFHLSA-N 0 2 376.280 3.107 20 0 GGADLN C[N@@H+](C[C@@H](O)CCC1(O)CCC1)[C@@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC001598432725 991802775 /nfs/dbraw/zinc/80/27/75/991802775.db2.gz JRWISWVSOZJXBL-XHDPSFHLSA-N 0 2 376.280 3.107 20 0 GGADLN CS(=O)(=O)[C@H]1CCC[N@@H+]([C@@H](C(=O)[O-])c2cccc(Cl)c2Cl)CC1 ZINC001599746415 991934933 /nfs/dbraw/zinc/93/49/33/991934933.db2.gz FYUVXIYJPLTMNM-IINYFYTJSA-N 0 2 380.293 3.018 20 0 GGADLN CS(=O)(=O)[C@H]1CCC[N@H+]([C@@H](C(=O)[O-])c2cccc(Cl)c2Cl)CC1 ZINC001599746415 991934939 /nfs/dbraw/zinc/93/49/39/991934939.db2.gz FYUVXIYJPLTMNM-IINYFYTJSA-N 0 2 380.293 3.018 20 0 GGADLN CS(=O)(=O)[C@@H]1CCC[N@@H+]([C@@H](C(=O)[O-])c2cccc(Cl)c2Cl)CC1 ZINC001599746418 991935206 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C[C@@H]([NH2+][C@@H](C)C(=O)NCc1ccc(C(=O)[O-])cc1)c1ncc(-c2ccccc2)o1 ZINC001593204312 994200305 /nfs/dbraw/zinc/20/03/05/994200305.db2.gz PMRGGMUGJIJIGY-LSDHHAIUSA-N 0 2 393.443 3.395 20 0 GGADLN C[C@H]([NH2+][C@@H](C)c1ncc(-c2ccccc2)o1)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC001593204310 994200901 /nfs/dbraw/zinc/20/09/01/994200901.db2.gz PMRGGMUGJIJIGY-GJZGRUSLSA-N 0 2 393.443 3.395 20 0 GGADLN COc1cccc(-c2nnc(C[NH2+][C@@](C)(Cc3ccc(F)cc3)C(=O)[O-])o2)c1 ZINC001599639400 994336866 /nfs/dbraw/zinc/33/68/66/994336866.db2.gz PQNSINJSTSQDIO-FQEVSTJZSA-N 0 2 385.395 3.060 20 0 GGADLN C[C@@H]([NH2+]CC(=O)NCC1(c2ccccc2)CCCC1)c1ncc(C(=O)[O-])s1 ZINC001593230059 994356391 /nfs/dbraw/zinc/35/63/91/994356391.db2.gz DPRBKLMDTFWXAI-CQSZACIVSA-N 0 2 387.505 3.120 20 0 GGADLN C[C@H]([NH2+]CC(=O)NCC1(c2ccccc2)CCCC1)c1ncc(C(=O)[O-])s1 ZINC001593230058 994356686 /nfs/dbraw/zinc/35/66/86/994356686.db2.gz DPRBKLMDTFWXAI-AWEZNQCLSA-N 0 2 387.505 3.120 20 0 GGADLN 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C[C@]([NH2+][C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)(C(=O)[O-])c1ccccc1 ZINC001593233720 994393742 /nfs/dbraw/zinc/39/37/42/994393742.db2.gz SVGBUFRLXGHTAF-QFBILLFUSA-N 0 2 376.815 3.174 20 0 GGADLN C[C@H]([NH2+]CC(=O)NCCc1ccc(C(C)(C)C)cc1)c1ncc(C(=O)[O-])s1 ZINC001593236780 994409147 /nfs/dbraw/zinc/40/91/47/994409147.db2.gz JCMIQUCMHIMKGB-ZDUSSCGKSA-N 0 2 389.521 3.148 20 0 GGADLN C[C@]([NH2+]CC(=O)NCc1ccccc1)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001593236980 994410801 /nfs/dbraw/zinc/41/08/01/994410801.db2.gz MADKPWCHOXTBIW-GOSISDBHSA-N 0 2 381.259 3.199 20 0 GGADLN C[C@@H]([NH2+]CC(=O)Nc1sc2c(c1C(=O)[O-])CCCC2)c1c(F)cncc1F ZINC001593241163 994435645 /nfs/dbraw/zinc/43/56/45/994435645.db2.gz WGNMWUSDSOHIBB-SECBINFHSA-N 0 2 395.431 3.288 20 0 GGADLN COc1cccc([C@H](C(=O)[O-])[N@@H+]2CCOc3ccc(Br)cc3C2)c1 ZINC001599649548 994475982 /nfs/dbraw/zinc/47/59/82/994475982.db2.gz FQDVMXIPBIYMGO-QGZVFWFLSA-N 0 2 392.249 3.478 20 0 GGADLN COc1cccc([C@H](C(=O)[O-])[N@H+]2CCOc3ccc(Br)cc3C2)c1 ZINC001599649548 994475986 /nfs/dbraw/zinc/47/59/86/994475986.db2.gz FQDVMXIPBIYMGO-QGZVFWFLSA-N 0 2 392.249 3.478 20 0 GGADLN CNC(=O)[C@@H]1Cc2ccccc2C[N@@H+]1Cc1ccc(-c2ccc(C(=O)[O-])cc2)o1 ZINC001598656262 994528069 /nfs/dbraw/zinc/52/80/69/994528069.db2.gz VXOBAHBPCURCHO-FQEVSTJZSA-N 0 2 390.439 3.318 20 0 GGADLN CNC(=O)[C@@H]1Cc2ccccc2C[N@H+]1Cc1ccc(-c2ccc(C(=O)[O-])cc2)o1 ZINC001598656262 994528082 /nfs/dbraw/zinc/52/80/82/994528082.db2.gz VXOBAHBPCURCHO-FQEVSTJZSA-N 0 2 390.439 3.318 20 0 GGADLN COc1cccc([C@@H](C)N2CC[NH+](Cc3ccccc3O[C@@H](C)C(=O)[O-])CC2)c1 ZINC001599655422 994571828 /nfs/dbraw/zinc/57/18/28/994571828.db2.gz QMEZSDWKWWUHTG-MSOLQXFVSA-N 0 2 398.503 3.426 20 0 GGADLN COc1cccc([C@@H](C)N2CC[NH+](Cc3ccccc3O[C@H](C)C(=O)[O-])CC2)c1 ZINC001599655423 994572086 /nfs/dbraw/zinc/57/20/86/994572086.db2.gz QMEZSDWKWWUHTG-QZTJIDSGSA-N 0 2 398.503 3.426 20 0 GGADLN C[C@@H]([NH2+]CCOc1ccc(/C=C/C(=O)[O-])cc1)c1noc(Cc2ccccc2)n1 ZINC001593271877 994606733 /nfs/dbraw/zinc/60/67/33/994606733.db2.gz MRMUXUQNCFVDSB-ONOODXEBSA-N 0 2 393.443 3.488 20 0 GGADLN C[C@@H]([NH2+]Cc1cccc(C(=O)NCc2ccco2)c1)c1ncc(C(=O)[O-])s1 ZINC001593305119 994758003 /nfs/dbraw/zinc/75/80/03/994758003.db2.gz WEIXFOMBUTWSPT-GFCCVEGCSA-N 0 2 385.445 3.215 20 0 GGADLN COC(=O)[C@H](c1cccc(C(=O)[O-])c1)[NH+]1CCC([C@@H](O)c2ccccc2C)CC1 ZINC001598713079 995370698 /nfs/dbraw/zinc/37/06/98/995370698.db2.gz NNKVECTZCYDXDU-LEWJYISDSA-N 0 2 397.471 3.353 20 0 GGADLN COC(=O)[C@@H](c1cccc(C(=O)[O-])c1)[NH+]1CCC([C@H](O)c2ccccc2C)CC1 ZINC001598713086 995370709 /nfs/dbraw/zinc/37/07/09/995370709.db2.gz NNKVECTZCYDXDU-RTWAWAEBSA-N 0 2 397.471 3.353 20 0 GGADLN C[C@@H](O)CNc1[nH+]c2ccccc2n1Cc1coc(-c2ccc(C(=O)[O-])cc2)n1 ZINC001593472387 995403563 /nfs/dbraw/zinc/40/35/63/995403563.db2.gz LPDHOULVVUUJEG-CYBMUJFWSA-N 0 2 392.415 3.231 20 0 GGADLN COC(=O)[C@@H]1C[C@H](C(=O)[O-])CC[N@@H+]1Cc1ccc(Oc2cccnc2)c(C)c1 ZINC001598755337 995707336 /nfs/dbraw/zinc/70/73/36/995707336.db2.gz DBXQASLQMMUAPP-AEFFLSMTSA-N 0 2 384.432 3.021 20 0 GGADLN COC(=O)[C@@H]1C[C@H](C(=O)[O-])CC[N@H+]1Cc1ccc(Oc2cccnc2)c(C)c1 ZINC001598755337 995707345 /nfs/dbraw/zinc/70/73/45/995707345.db2.gz DBXQASLQMMUAPP-AEFFLSMTSA-N 0 2 384.432 3.021 20 0 GGADLN COC(=O)[C@H]1C[C@H](C(=O)[O-])CC[N@@H+]1Cc1ccc(-c2ccc(Cl)cc2)o1 ZINC001598761381 995780879 /nfs/dbraw/zinc/78/08/79/995780879.db2.gz RNYOKFHSZWCHDP-CZUORRHYSA-N 0 2 377.824 3.438 20 0 GGADLN COC(=O)[C@H]1C[C@H](C(=O)[O-])CC[N@H+]1Cc1ccc(-c2ccc(Cl)cc2)o1 ZINC001598761381 995780885 /nfs/dbraw/zinc/78/08/85/995780885.db2.gz RNYOKFHSZWCHDP-CZUORRHYSA-N 0 2 377.824 3.438 20 0 GGADLN COC(=O)[C@@H]1C[C@@H](C(=O)[O-])CC[N@@H+]1Cc1ccc(SC(F)(F)F)cc1 ZINC001598762106 995787566 /nfs/dbraw/zinc/78/75/66/995787566.db2.gz UEDYTEFZIGSWJH-AAEUAGOBSA-N 0 2 377.384 3.137 20 0 GGADLN COC(=O)[C@@H]1C[C@@H](C(=O)[O-])CC[N@H+]1Cc1ccc(SC(F)(F)F)cc1 ZINC001598762106 995787573 /nfs/dbraw/zinc/78/75/73/995787573.db2.gz UEDYTEFZIGSWJH-AAEUAGOBSA-N 0 2 377.384 3.137 20 0 GGADLN C[C@H](Oc1ccc(C[NH+]2CCN(c3c(F)cccc3F)CC2)cc1)C(=O)[O-] ZINC001593614542 995824999 /nfs/dbraw/zinc/82/49/99/995824999.db2.gz BUNWCTZLPGEUHO-AWEZNQCLSA-N 0 2 376.403 3.139 20 0 GGADLN C[C@@H](Oc1ccc(C[N@@H+]2CC(C)(C)O[C@](C)(C(F)(F)F)C2)cc1)C(=O)[O-] ZINC001593615030 995828001 /nfs/dbraw/zinc/82/80/01/995828001.db2.gz DZOLPHYUBYNBQI-PXAZEXFGSA-N 0 2 375.387 3.470 20 0 GGADLN C[C@@H](Oc1ccc(C[N@H+]2CC(C)(C)O[C@](C)(C(F)(F)F)C2)cc1)C(=O)[O-] ZINC001593615030 995828004 /nfs/dbraw/zinc/82/80/04/995828004.db2.gz DZOLPHYUBYNBQI-PXAZEXFGSA-N 0 2 375.387 3.470 20 0 GGADLN C[C@H](Oc1ccc(C[NH+]2CC(O)(c3cccc4ccccc43)C2)cc1)C(=O)[O-] ZINC001593616356 995847870 /nfs/dbraw/zinc/84/78/70/995847870.db2.gz XZFJVCDDNYEGMN-INIZCTEOSA-N 0 2 377.440 3.395 20 0 GGADLN C[C@@H](Oc1ccc(NC(=O)Cc2ccc(-n3cc[nH+]c3)cc2)cc1F)C(=O)[O-] ZINC001593625857 995891578 /nfs/dbraw/zinc/89/15/78/995891578.db2.gz AEFFGYPELAWVJE-CYBMUJFWSA-N 0 2 383.379 3.045 20 0 GGADLN C[C@H](Oc1ccccc1C[NH+]1CCN(c2cc(F)ccc2F)CC1)C(=O)[O-] ZINC001593646424 995984233 /nfs/dbraw/zinc/98/42/33/995984233.db2.gz REFDVRMFTOXPBB-AWEZNQCLSA-N 0 2 376.403 3.139 20 0 GGADLN COC(=O)[C@H]1CC[C@@H](C(=O)[O-])[N@H+](Cc2nc3ccccc3c(C)c2Cl)C1 ZINC001598783413 996007827 /nfs/dbraw/zinc/00/78/27/996007827.db2.gz CSQCKIHDQAXTJM-LRDDRELGSA-N 0 2 376.840 3.035 20 0 GGADLN COC(=O)[C@H]1CC[C@@H](C(=O)[O-])[N@@H+](Cc2nc3ccccc3c(C)c2Cl)C1 ZINC001598783413 996007830 /nfs/dbraw/zinc/00/78/30/996007830.db2.gz CSQCKIHDQAXTJM-LRDDRELGSA-N 0 2 376.840 3.035 20 0 GGADLN COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])[N@H+](Cc2nc3ccccc3c(C)c2Cl)C1 ZINC001598783415 996007965 /nfs/dbraw/zinc/00/79/65/996007965.db2.gz CSQCKIHDQAXTJM-WBMJQRKESA-N 0 2 376.840 3.035 20 0 GGADLN COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])[N@@H+](Cc2nc3ccccc3c(C)c2Cl)C1 ZINC001598783415 996007970 /nfs/dbraw/zinc/00/79/70/996007970.db2.gz CSQCKIHDQAXTJM-WBMJQRKESA-N 0 2 376.840 3.035 20 0 GGADLN C[C@H](c1ccc(F)cc1)N1CC[C@@H]([N@@H+]2CCOc3cc(C(=O)[O-])ccc3C2)C1=O ZINC001593697778 996157794 /nfs/dbraw/zinc/15/77/94/996157794.db2.gz OPNPYJGRJCGLPW-AUUYWEPGSA-N 0 2 398.434 3.080 20 0 GGADLN C[C@H](c1ccc(F)cc1)N1CC[C@@H]([N@H+]2CCOc3cc(C(=O)[O-])ccc3C2)C1=O ZINC001593697778 996157798 /nfs/dbraw/zinc/15/77/98/996157798.db2.gz OPNPYJGRJCGLPW-AUUYWEPGSA-N 0 2 398.434 3.080 20 0 GGADLN C[C@H](c1cccc(NC(=O)NCc2ccc(CC(=O)[O-])cc2)c1)[NH+]1CCOCC1 ZINC001593703461 996180630 /nfs/dbraw/zinc/18/06/30/996180630.db2.gz QSUMWNJJEAVIME-MRXNPFEDSA-N 0 2 397.475 3.029 20 0 GGADLN C[C@@H](c1cccc(NC(=O)C23CCC(C(=O)[O-])(CC2)CC3)c1)[NH+]1CCOCC1 ZINC001593703428 996180767 /nfs/dbraw/zinc/18/07/67/996180767.db2.gz PSHOUSBCWNJSCD-XDGVHFHYSA-N 0 2 386.492 3.444 20 0 GGADLN C[C@@H](c1cccc(NC(=O)N[C@@H](CC(=O)[O-])C(C)(C)C)c1)[NH+]1CCOCC1 ZINC001593703737 996181591 /nfs/dbraw/zinc/18/15/91/996181591.db2.gz UBBQDLZJHQJEAF-YOEHRIQHSA-N 0 2 377.485 3.091 20 0 GGADLN C[C@H](c1ccccc1)N(C)C(=O)C[N@H+](C)Cc1cc(C(=O)[O-])c2n1CCCC2 ZINC001593705112 996187591 /nfs/dbraw/zinc/18/75/91/996187591.db2.gz GNQUGJMTSJYZDC-MRXNPFEDSA-N 0 2 383.492 3.174 20 0 GGADLN C[C@H](c1ccccc1)N(C)C(=O)C[N@@H+](C)Cc1cc(C(=O)[O-])c2n1CCCC2 ZINC001593705112 996187593 /nfs/dbraw/zinc/18/75/93/996187593.db2.gz GNQUGJMTSJYZDC-MRXNPFEDSA-N 0 2 383.492 3.174 20 0 GGADLN C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)Nc2ccc(OCC(=O)[O-])cc2)CC1 ZINC001593725593 996280006 /nfs/dbraw/zinc/28/00/06/996280006.db2.gz XYBNNHZBZGQANT-AWEZNQCLSA-N 0 2 389.477 3.122 20 0 GGADLN C[C@@H](c1ncc(C(=O)[O-])s1)[N@@H+]1CCC[C@@H]1COC(=O)NC1CCCCC1 ZINC001593731164 996299955 /nfs/dbraw/zinc/29/99/55/996299955.db2.gz CIWSSJJODIDDCU-GXTWGEPZSA-N 0 2 381.498 3.426 20 0 GGADLN C[C@@H](c1ncc(C(=O)[O-])s1)[N@H+]1CCC[C@@H]1COC(=O)NC1CCCCC1 ZINC001593731164 996299957 /nfs/dbraw/zinc/29/99/57/996299957.db2.gz CIWSSJJODIDDCU-GXTWGEPZSA-N 0 2 381.498 3.426 20 0 GGADLN C[C@@H](c1nc(Cc2ccc(F)cc2)no1)[N@@H+]1CC[C@](C(=O)[O-])(C(F)(F)F)C1 ZINC001593732839 996315859 /nfs/dbraw/zinc/31/58/59/996315859.db2.gz AFDIKVANAVASFP-QFYYESIMSA-N 0 2 387.333 3.200 20 0 GGADLN C[C@@H](c1nc(Cc2ccc(F)cc2)no1)[N@H+]1CC[C@](C(=O)[O-])(C(F)(F)F)C1 ZINC001593732839 996315860 /nfs/dbraw/zinc/31/58/60/996315860.db2.gz AFDIKVANAVASFP-QFYYESIMSA-N 0 2 387.333 3.200 20 0 GGADLN C[C@H](c1nc(Cc2ccccc2)no1)[N@H+]1C[C@H](C(F)(F)F)C[C@H](C(=O)[O-])C1 ZINC001593733599 996318707 /nfs/dbraw/zinc/31/87/07/996318707.db2.gz HZQLWKBXSQICBT-KWCYVHTRSA-N 0 2 383.370 3.306 20 0 GGADLN C[C@H](c1nc(Cc2ccccc2)no1)[N@@H+]1C[C@H](C(F)(F)F)C[C@H](C(=O)[O-])C1 ZINC001593733599 996318710 /nfs/dbraw/zinc/31/87/10/996318710.db2.gz HZQLWKBXSQICBT-KWCYVHTRSA-N 0 2 383.370 3.306 20 0 GGADLN C[C@H](c1nnc(-c2ccc3ccccc3c2)o1)N1CC[NH+](C(C)(C)C(=O)[O-])CC1 ZINC001593737164 996332450 /nfs/dbraw/zinc/33/24/50/996332450.db2.gz DAZHGVNKRBKOPS-OAHLLOKOSA-N 0 2 394.475 3.432 20 0 GGADLN C[C@@]1(C(=O)[O-])CCCN(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)C1 ZINC001593771331 996464372 /nfs/dbraw/zinc/46/43/72/996464372.db2.gz OOSWWDFIBIYPBM-OAQYLSRUSA-N 0 2 380.448 3.320 20 0 GGADLN COC(=O)C[C@@](C)([NH2+]Cc1coc(-c2ccc(C(=O)[O-])cc2)n1)c1ccncc1 ZINC001598834492 996470836 /nfs/dbraw/zinc/47/08/36/996470836.db2.gz ZTOPNACWPLQUTB-OAQYLSRUSA-N 0 2 395.415 3.003 20 0 GGADLN COC(=O)C[NH+]1CCC(Nc2cc(C(=O)[O-])ccc2OCc2ccccc2)CC1 ZINC001598864057 996699949 /nfs/dbraw/zinc/69/99/49/996699949.db2.gz YFNDDKNHWNBQAP-UHFFFAOYSA-N 0 2 398.459 3.013 20 0 GGADLN COCc1cc(NC(=O)CSCc2cn3cc(C)ccc3[nH+]2)cc(C(=O)[O-])c1 ZINC001599283618 996936099 /nfs/dbraw/zinc/93/60/99/996936099.db2.gz PVWJZTBIEGKOBG-UHFFFAOYSA-N 0 2 399.472 3.359 20 0 GGADLN CC1(C)C[N@@H+]([C@H]2CCN(c3sccc3C(=O)[O-])C2=O)CC[C@H]1C(F)(F)F ZINC001593940097 996942078 /nfs/dbraw/zinc/94/20/78/996942078.db2.gz DYGUHNRXGWJOIL-NWDGAFQWSA-N 0 2 390.427 3.462 20 0 GGADLN CC1(C)C[N@H+]([C@H]2CCN(c3sccc3C(=O)[O-])C2=O)CC[C@H]1C(F)(F)F ZINC001593940097 996942088 /nfs/dbraw/zinc/94/20/88/996942088.db2.gz DYGUHNRXGWJOIL-NWDGAFQWSA-N 0 2 390.427 3.462 20 0 GGADLN CC1(C)C[N@H+](Cc2cn(-c3ccc(Cl)c(Cl)c3)nc2C(=O)[O-])CCO1 ZINC001593944843 996982011 /nfs/dbraw/zinc/98/20/11/996982011.db2.gz ISPRJWXJMYSBBQ-UHFFFAOYSA-N 0 2 384.263 3.488 20 0 GGADLN CC1(C)C[N@@H+](Cc2cn(-c3ccc(Cl)c(Cl)c3)nc2C(=O)[O-])CCO1 ZINC001593944843 996982026 /nfs/dbraw/zinc/98/20/26/996982026.db2.gz ISPRJWXJMYSBBQ-UHFFFAOYSA-N 0 2 384.263 3.488 20 0 GGADLN COC[C@H](c1ccc(Cl)cc1)[N@H+](C)CC(=O)Nc1cccc(C(=O)[O-])c1 ZINC001599185823 997023163 /nfs/dbraw/zinc/02/31/63/997023163.db2.gz CUWGLWUQPYEWTB-QGZVFWFLSA-N 0 2 376.840 3.296 20 0 GGADLN COC[C@H](c1ccc(Cl)cc1)[N@@H+](C)CC(=O)Nc1cccc(C(=O)[O-])c1 ZINC001599185823 997023175 /nfs/dbraw/zinc/02/31/75/997023175.db2.gz CUWGLWUQPYEWTB-QGZVFWFLSA-N 0 2 376.840 3.296 20 0 GGADLN COc1cc(C)[nH+]c(CS[C@@H]2CCN(c3sccc3C(=O)[O-])C2=O)c1 ZINC001599394121 997092433 /nfs/dbraw/zinc/09/24/33/997092433.db2.gz BHYHYBYEDRQAOZ-CQSZACIVSA-N 0 2 378.475 3.197 20 0 GGADLN COC1(C(F)(F)F)CC[NH+](CC(=O)c2c[nH]c3ccc(C(=O)[O-])cc32)CC1 ZINC001599085967 997098318 /nfs/dbraw/zinc/09/83/18/997098318.db2.gz ABHRQTKSTAIVJA-UHFFFAOYSA-N 0 2 384.354 3.092 20 0 GGADLN COc1ccc(C(=O)[O-])cc1C[NH2+][C@@H](CCSC)c1nnc2ccccn21 ZINC001599500739 997113653 /nfs/dbraw/zinc/11/36/53/997113653.db2.gz JYQFHWWWCWZJRG-HNNXBMFYSA-N 0 2 386.477 3.020 20 0 GGADLN COc1ccc(C(=O)[O-])c2c1C[N@H+](Cc1ccnn1-c1ccc(F)cc1)CC2 ZINC001599501667 997133536 /nfs/dbraw/zinc/13/35/36/997133536.db2.gz QKSKBGNQYJYSRT-UHFFFAOYSA-N 0 2 381.407 3.277 20 0 GGADLN COc1ccc(C(=O)[O-])c2c1C[N@@H+](Cc1ccnn1-c1ccc(F)cc1)CC2 ZINC001599501667 997133544 /nfs/dbraw/zinc/13/35/44/997133544.db2.gz QKSKBGNQYJYSRT-UHFFFAOYSA-N 0 2 381.407 3.277 20 0 GGADLN COc1ccc(C(=O)[O-])c2c1C[N@H+](Cc1cc(=O)[nH]c(-c3ccccc3)n1)CC2 ZINC001599502172 997143003 /nfs/dbraw/zinc/14/30/03/997143003.db2.gz UPFWIIUHAXARRA-UHFFFAOYSA-N 0 2 391.427 3.114 20 0 GGADLN COc1ccc(C(=O)[O-])c2c1C[N@@H+](Cc1cc(=O)[nH]c(-c3ccccc3)n1)CC2 ZINC001599502172 997143009 /nfs/dbraw/zinc/14/30/09/997143009.db2.gz UPFWIIUHAXARRA-UHFFFAOYSA-N 0 2 391.427 3.114 20 0 GGADLN COc1cc(C[NH+]2CC3(CC3(F)F)C2)ccc1OCc1ccc(C(=O)[O-])o1 ZINC001599406385 997312026 /nfs/dbraw/zinc/31/20/26/997312026.db2.gz BFEZDBIUKSNGEP-UHFFFAOYSA-N 0 2 379.359 3.406 20 0 GGADLN COc1cc(C[N@@H+]2CCc3cc(O)ccc3C2)c(Br)cc1C(=O)[O-] ZINC001599408379 997373782 /nfs/dbraw/zinc/37/37/82/997373782.db2.gz SWWUJHYPWXCNOC-UHFFFAOYSA-N 0 2 392.249 3.420 20 0 GGADLN COc1cc(C[N@H+]2CCc3cc(O)ccc3C2)c(Br)cc1C(=O)[O-] ZINC001599408379 997373793 /nfs/dbraw/zinc/37/37/93/997373793.db2.gz SWWUJHYPWXCNOC-UHFFFAOYSA-N 0 2 392.249 3.420 20 0 GGADLN COC(=O)c1c(C)c(C(=O)[O-])sc1NC(=O)C[N@H+](C)[C@@H](C)c1cccs1 ZINC001598914561 997433974 /nfs/dbraw/zinc/43/39/74/997433974.db2.gz WXLCKKVIIABDLR-JTQLQIEISA-N 0 2 396.490 3.234 20 0 GGADLN COC(=O)c1c(C)c(C(=O)[O-])sc1NC(=O)C[N@@H+](C)[C@@H](C)c1cccs1 ZINC001598914561 997433983 /nfs/dbraw/zinc/43/39/83/997433983.db2.gz WXLCKKVIIABDLR-JTQLQIEISA-N 0 2 396.490 3.234 20 0 GGADLN COc1ccc([C@H](NC(=O)C[NH2+][C@@](C)(C(=O)[O-])c2ccccc2)C(C)C)cc1 ZINC001599518771 997439832 /nfs/dbraw/zinc/43/98/32/997439832.db2.gz AUCNVIWNQZFYAG-IFMALSPDSA-N 0 2 384.476 3.098 20 0 GGADLN COc1ccc([C@H](NC(=O)C[NH2+][C@](C)(C(=O)[O-])c2ccccc2)C(C)C)cc1 ZINC001599518772 997440377 /nfs/dbraw/zinc/44/03/77/997440377.db2.gz AUCNVIWNQZFYAG-IRLDBZIGSA-N 0 2 384.476 3.098 20 0 GGADLN COc1cc(C[NH2+][C@@H](C)c2nccnc2C)c(Br)cc1C(=O)[O-] ZINC001599416420 997520272 /nfs/dbraw/zinc/52/02/72/997520272.db2.gz XGZHRWDEZWYQJM-JTQLQIEISA-N 0 2 380.242 3.105 20 0 GGADLN COc1cc(Cl)c(C)cc1NC(=O)C[NH2+][C@@H](C)c1ncc(C(=O)[O-])s1 ZINC001599418971 997560923 /nfs/dbraw/zinc/56/09/23/997560923.db2.gz XUYNMTJSIIFRGH-VIFPVBQESA-N 0 2 383.857 3.101 20 0 GGADLN CO[C@@H]1CCC[C@H]([C@H]([NH2+]Cc2nnc(-c3cccc(Cl)c3)o2)C(=O)[O-])C1 ZINC001599111668 997579909 /nfs/dbraw/zinc/57/99/09/997579909.db2.gz HPEROZWHNQSNJM-PEYYIBSZSA-N 0 2 379.844 3.138 20 0 GGADLN CO[C@@H]1CCC[C@@H]([C@@H]([NH2+]Cc2nnc(-c3cccc(Cl)c3)o2)C(=O)[O-])C1 ZINC001599111660 997580559 /nfs/dbraw/zinc/58/05/59/997580559.db2.gz HPEROZWHNQSNJM-DJSGYFEHSA-N 0 2 379.844 3.138 20 0 GGADLN COc1ccc([C@@H]([NH2+]Cc2c(F)cccc2Br)C(=O)[O-])cc1O ZINC001599527354 997584670 /nfs/dbraw/zinc/58/46/70/997584670.db2.gz MMTPQAGLYCABFB-OAHLLOKOSA-N 0 2 384.201 3.218 20 0 GGADLN COc1ccc([C@H]([NH2+]CC(=O)NCCc2ccc(C(C)(C)C)cc2)C(=O)[O-])cc1 ZINC001599527686 997590930 /nfs/dbraw/zinc/59/09/30/997590930.db2.gz OMKGZIVJGATRSE-NRFANRHFSA-N 0 2 398.503 3.067 20 0 GGADLN COc1ccc([C@@H]([NH2+]Cc2ccc(-c3cnn(C)c3)s2)C(=O)[O-])c(OC)c1 ZINC001599530876 997649556 /nfs/dbraw/zinc/64/95/56/997649556.db2.gz HBNQGEQLCJSITE-GOSISDBHSA-N 0 2 387.461 3.081 20 0 GGADLN COc1ccc([C@H]([NH2+]Cc2ccc(-c3cnn(C)c3)s2)C(=O)[O-])c(OC)c1 ZINC001599530878 997649632 /nfs/dbraw/zinc/64/96/32/997649632.db2.gz HBNQGEQLCJSITE-SFHVURJKSA-N 0 2 387.461 3.081 20 0 GGADLN COc1cc(F)cc(C[NH+]2CCN([C@H](C(=O)[O-])c3cccc(Cl)c3)CC2)c1 ZINC001599426061 997677840 /nfs/dbraw/zinc/67/78/40/997677840.db2.gz CLYUKBORXPLBBT-IBGZPJMESA-N 0 2 392.858 3.431 20 0 GGADLN COc1c(C)c[nH+]c(CN[C@@H](C(=O)[O-])c2ccccc2Br)c1C ZINC001599333752 997794962 /nfs/dbraw/zinc/79/49/62/997794962.db2.gz PFMAFAVECVUPEP-OAHLLOKOSA-N 0 2 379.254 3.385 20 0 GGADLN COc1ccc([C@H]2C[N@@H+]([C@@H](C)c3cc(C)c(C(=O)[O-])o3)CCO2)cc1OC ZINC001599539949 997818536 /nfs/dbraw/zinc/81/85/36/997818536.db2.gz AXONCSLSLSLRCS-SCLBCKFNSA-N 0 2 375.421 3.438 20 0 GGADLN COc1ccc([C@H]2C[N@H+]([C@@H](C)c3cc(C)c(C(=O)[O-])o3)CCO2)cc1OC ZINC001599539949 997818549 /nfs/dbraw/zinc/81/85/49/997818549.db2.gz AXONCSLSLSLRCS-SCLBCKFNSA-N 0 2 375.421 3.438 20 0 GGADLN COCC[N@H+](CC(=O)Nc1sc2c(c1C(=O)[O-])CCC2)Cc1cccs1 ZINC001599233334 997902258 /nfs/dbraw/zinc/90/22/58/997902258.db2.gz JRTSTYFGVXZBHP-UHFFFAOYSA-N 0 2 394.518 3.084 20 0 GGADLN COCC[N@@H+](CC(=O)Nc1sc2c(c1C(=O)[O-])CCC2)Cc1cccs1 ZINC001599233334 997902264 /nfs/dbraw/zinc/90/22/64/997902264.db2.gz JRTSTYFGVXZBHP-UHFFFAOYSA-N 0 2 394.518 3.084 20 0 GGADLN COc1ccc(/C=C/C(=O)[O-])cc1OC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC001599545479 997915821 /nfs/dbraw/zinc/91/58/21/997915821.db2.gz NZFWCDNGMUINCF-SOFGYWHQSA-N 0 2 378.384 3.257 20 0 GGADLN COc1c(NC(=O)N[C@H](Cn2cc[nH+]c2)c2ccccc2)cccc1C(=O)[O-] ZINC001599341262 997927100 /nfs/dbraw/zinc/92/71/00/997927100.db2.gz QSQLZZLKOVEVHP-QGZVFWFLSA-N 0 2 380.404 3.153 20 0 GGADLN CO[C@H]1C[N@H+](Cc2coc(-c3ccc(C(F)(F)F)cc3)n2)[C@](C)(C(=O)[O-])C1 ZINC001599130896 997941179 /nfs/dbraw/zinc/94/11/79/997941179.db2.gz AVWKQQPTOTUWPG-PBHICJAKSA-N 0 2 384.354 3.424 20 0 GGADLN CO[C@H]1C[N@@H+](Cc2coc(-c3ccc(C(F)(F)F)cc3)n2)[C@](C)(C(=O)[O-])C1 ZINC001599130896 997941186 /nfs/dbraw/zinc/94/11/86/997941186.db2.gz AVWKQQPTOTUWPG-PBHICJAKSA-N 0 2 384.354 3.424 20 0 GGADLN CO[C@@H]1C[N@H+](Cc2coc(-c3ccc(C(F)(F)F)cc3)n2)[C@](C)(C(=O)[O-])C1 ZINC001599130902 997941321 /nfs/dbraw/zinc/94/13/21/997941321.db2.gz AVWKQQPTOTUWPG-YOEHRIQHSA-N 0 2 384.354 3.424 20 0 GGADLN CO[C@@H]1C[N@@H+](Cc2coc(-c3ccc(C(F)(F)F)cc3)n2)[C@](C)(C(=O)[O-])C1 ZINC001599130902 997941329 /nfs/dbraw/zinc/94/13/29/997941329.db2.gz AVWKQQPTOTUWPG-YOEHRIQHSA-N 0 2 384.354 3.424 20 0 GGADLN CO[C@@H]1C[N@H+](CC(=O)Nc2ccc(Oc3cccc(C)c3)cc2)[C@](C)(C(=O)[O-])C1 ZINC001599131492 997955860 /nfs/dbraw/zinc/95/58/60/997955860.db2.gz NVKJWYBEHOYGCL-UGKGYDQZSA-N 0 2 398.459 3.290 20 0 GGADLN CO[C@@H]1C[N@@H+](CC(=O)Nc2ccc(Oc3cccc(C)c3)cc2)[C@](C)(C(=O)[O-])C1 ZINC001599131492 997955864 /nfs/dbraw/zinc/95/58/64/997955864.db2.gz NVKJWYBEHOYGCL-UGKGYDQZSA-N 0 2 398.459 3.290 20 0 GGADLN COCC[N@@H+](Cc1ccc(C)c(C)c1)Cc1nc2cc(C(=O)[O-])ccc2c(=O)[nH]1 ZINC001599237687 997974618 /nfs/dbraw/zinc/97/46/18/997974618.db2.gz AINGURQSWAOMJT-UHFFFAOYSA-N 0 2 395.459 3.299 20 0 GGADLN COCC[N@H+](Cc1ccc(C)c(C)c1)Cc1nc2cc(C(=O)[O-])ccc2c(=O)[nH]1 ZINC001599237687 997974628 /nfs/dbraw/zinc/97/46/28/997974628.db2.gz AINGURQSWAOMJT-UHFFFAOYSA-N 0 2 395.459 3.299 20 0 GGADLN COc1cc(Br)c(C[NH2+]Cc2ccc(C(=O)[O-])cc2F)cc1O ZINC001599347566 998034911 /nfs/dbraw/zinc/03/49/11/998034911.db2.gz DLQJIWPKQIDEES-UHFFFAOYSA-N 0 2 384.201 3.290 20 0 GGADLN CO[C@@H]1C[N@H+](Cc2coc(-c3ccc(Br)cc3)n2)[C@](C)(C(=O)[O-])C1 ZINC001599135598 998035426 /nfs/dbraw/zinc/03/54/26/998035426.db2.gz VVFHFKJPRKYOJI-YOEHRIQHSA-N 0 2 395.253 3.168 20 0 GGADLN CO[C@@H]1C[N@@H+](Cc2coc(-c3ccc(Br)cc3)n2)[C@](C)(C(=O)[O-])C1 ZINC001599135598 998035439 /nfs/dbraw/zinc/03/54/39/998035439.db2.gz VVFHFKJPRKYOJI-YOEHRIQHSA-N 0 2 395.253 3.168 20 0 GGADLN COc1cc(OC)cc([C@H](Nc2ccc(C)c(C(=O)[O-])[nH+]2)c2nccn2C)c1 ZINC001599452340 998125854 /nfs/dbraw/zinc/12/58/54/998125854.db2.gz BNKKGXWLMCHSPW-SFHVURJKSA-N 0 2 382.420 3.040 20 0 GGADLN COc1ccc(CN2CC[NH+](Cc3[nH]cc(C(=O)[O-])c3C3CC3)CC2)cc1F ZINC001599560965 998192601 /nfs/dbraw/zinc/19/26/01/998192601.db2.gz ZRPSQLADWOJSPJ-UHFFFAOYSA-N 0 2 387.455 3.056 20 0 GGADLN COc1ccc(C[N@@H+]2CC[C@H]2C(=O)Nc2ccc3c(C(=O)[O-])c[nH]c3c2)cc1 ZINC001599561333 998201685 /nfs/dbraw/zinc/20/16/85/998201685.db2.gz UQDLILCPGZYBMX-IBGZPJMESA-N 0 2 379.416 3.088 20 0 GGADLN COc1ccc(C[N@H+]2CC[C@H]2C(=O)Nc2ccc3c(C(=O)[O-])c[nH]c3c2)cc1 ZINC001599561333 998201701 /nfs/dbraw/zinc/20/17/01/998201701.db2.gz UQDLILCPGZYBMX-IBGZPJMESA-N 0 2 379.416 3.088 20 0 GGADLN COc1cc(C(=O)[O-])cc(NC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)c1OC ZINC001599359942 998244085 /nfs/dbraw/zinc/24/40/85/998244085.db2.gz YBCQSMJLIGUXOL-OAHLLOKOSA-N 0 2 395.415 3.286 20 0 GGADLN COc1cc(C(=O)[O-])ccc1CCNc1nc(C)[nH+]c(C)c1Br ZINC001599368544 998373323 /nfs/dbraw/zinc/37/33/23/998373323.db2.gz UPZHLFGYWKUWDA-UHFFFAOYSA-N 0 2 380.242 3.217 20 0 GGADLN COc1cc(C(=O)[O-])ccc1NC(=O)N1CC[NH+]([C@@H](C)c2ccsc2)CC1 ZINC001599371378 998415691 /nfs/dbraw/zinc/41/56/91/998415691.db2.gz PZAKJZFDOPCOOG-ZDUSSCGKSA-N 0 2 389.477 3.366 20 0 GGADLN COc1ccc(-c2csc(NC(=O)C[N@H+]([C@H](C)C(=O)[O-])C3CCC3)n2)cc1 ZINC001599469294 998421909 /nfs/dbraw/zinc/42/19/09/998421909.db2.gz RATNZRQEWYVIME-GFCCVEGCSA-N 0 2 389.477 3.085 20 0 GGADLN COc1ccc(-c2csc(NC(=O)C[N@@H+]([C@H](C)C(=O)[O-])C3CCC3)n2)cc1 ZINC001599469294 998421914 /nfs/dbraw/zinc/42/19/14/998421914.db2.gz RATNZRQEWYVIME-GFCCVEGCSA-N 0 2 389.477 3.085 20 0 GGADLN COC[C@@H](C)n1c(C)cc(C(=O)C[N@@H+]2CCc3ccc(C(=O)[O-])cc3C2)c1C ZINC001599160637 998450886 /nfs/dbraw/zinc/45/08/86/998450886.db2.gz RJPHVTKNMCKEEB-OAHLLOKOSA-N 0 2 384.476 3.252 20 0 GGADLN COC[C@@H](C)n1c(C)cc(C(=O)C[N@H+]2CCc3ccc(C(=O)[O-])cc3C2)c1C ZINC001599160637 998450900 /nfs/dbraw/zinc/45/09/00/998450900.db2.gz RJPHVTKNMCKEEB-OAHLLOKOSA-N 0 2 384.476 3.252 20 0 GGADLN C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)[C@H](c1c(F)cccc1Cl)[NH+]1CCCCC1 ZINC001594143150 998462212 /nfs/dbraw/zinc/46/22/12/998462212.db2.gz YYHDSZAKMPJNAT-IGCXYCKISA-N 0 2 382.863 3.328 20 0 GGADLN COc1ccc(-c2noc(C[NH2+][C@@H](C)c3ccc(OCC(=O)[O-])cc3)n2)cc1 ZINC001599472586 998474543 /nfs/dbraw/zinc/47/45/43/998474543.db2.gz XDSTYXLUIDAQPC-ZDUSSCGKSA-N 0 2 383.404 3.059 20 0 GGADLN COc1ccc(Cl)cc1NC(=O)C[NH2+][C@H](C(=O)[O-])c1ccc(C)c(C)c1 ZINC001599579936 998511575 /nfs/dbraw/zinc/51/15/75/998511575.db2.gz TVRNIKAUQFYRIM-SFHVURJKSA-N 0 2 376.840 3.319 20 0 GGADLN COc1ccc(Cl)cc1NC(=O)C[NH2+][C@@H](C(=O)[O-])c1ccc(C)c(C)c1 ZINC001599579935 998512187 /nfs/dbraw/zinc/51/21/87/998512187.db2.gz TVRNIKAUQFYRIM-GOSISDBHSA-N 0 2 376.840 3.319 20 0 GGADLN COc1ccc(Br)c([C@@H](C(=O)[O-])N(C)Cc2[nH]c(C)c(C)[nH+]2)c1 ZINC001599475224 998520418 /nfs/dbraw/zinc/52/04/18/998520418.db2.gz IKNCOWCUJJCJOH-HNNXBMFYSA-N 0 2 382.258 3.055 20 0 GGADLN C[C@@H]1[C@@H](C(=O)[O-])CCN1C(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC001594151858 998533653 /nfs/dbraw/zinc/53/36/53/998533653.db2.gz ZSZIGUPXBXLIAK-WWGRRREGSA-N 0 2 397.878 3.121 20 0 GGADLN COC(=O)c1ccc(Cl)c(C[N@@H+]2CCc3c(C(=O)[O-])ccc(OC)c3C2)c1 ZINC001598975911 998600475 /nfs/dbraw/zinc/60/04/75/998600475.db2.gz NVCXNIJXAPPDMJ-UHFFFAOYSA-N 0 2 389.835 3.392 20 0 GGADLN COC(=O)c1ccc(Cl)c(C[N@H+]2CCc3c(C(=O)[O-])ccc(OC)c3C2)c1 ZINC001598975911 998600478 /nfs/dbraw/zinc/60/04/78/998600478.db2.gz 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NC(=O)c1ccc(NS(=O)(=O)c2c(Cl)cccc2C(F)(F)F)cc1 ZINC000157989690 565153036 /nfs/dbraw/zinc/15/30/36/565153036.db2.gz GZSIAPBXJCCBNW-UHFFFAOYSA-N 0 2 378.759 3.259 20 0 GGADLN CCOC(=O)c1cc(Br)cc(S(=O)(=O)Nc2ccc(C)cn2)c1 ZINC000158020565 565154537 /nfs/dbraw/zinc/15/45/37/565154537.db2.gz NDHOPHOKKHDKMR-UHFFFAOYSA-N 0 2 399.266 3.130 20 0 GGADLN O=C(Nc1ccc(Cl)cc1)N1CCCN(C(=O)[C@@H](F)C(F)(F)F)CC1 ZINC000293202776 565155804 /nfs/dbraw/zinc/15/58/04/565155804.db2.gz ISYXRCAKFMDXJA-GFCCVEGCSA-N 0 2 381.757 3.307 20 0 GGADLN O=C(Nc1ccc(Cl)cc1)N1CCCN(C(=O)C(F)C(F)(F)F)CC1 ZINC000293202776 565155805 /nfs/dbraw/zinc/15/58/05/565155805.db2.gz ISYXRCAKFMDXJA-GFCCVEGCSA-N 0 2 381.757 3.307 20 0 GGADLN NC(=O)c1ccc(NS(=O)(=O)c2c(Cl)cccc2C(F)(F)F)cc1F ZINC000158121435 565156886 /nfs/dbraw/zinc/15/68/86/565156886.db2.gz AQRKSUCVACVQFH-UHFFFAOYSA-N 0 2 396.749 3.398 20 0 GGADLN C[C@H](C(F)(F)F)S(=O)(=O)NCCOCc1ccc(Cl)cc1Cl ZINC000184820616 565157754 /nfs/dbraw/zinc/15/77/54/565157754.db2.gz DGHDJBFQWHQJGW-MRVPVSSYSA-N 0 2 380.215 3.380 20 0 GGADLN CSc1ccc(S(=O)(=O)Nc2ccnn2C[C@H]2CCOC2)cc1Cl ZINC000184843781 565160112 /nfs/dbraw/zinc/16/01/12/565160112.db2.gz GPQJTOZOMPVKDD-LLVKDONJSA-N 0 2 387.914 3.096 20 0 GGADLN O=S(=O)(Nc1cncc(Br)c1)c1ccccc1OC(F)F ZINC000158197026 565160531 /nfs/dbraw/zinc/16/05/31/565160531.db2.gz OQFHXWMXWZLDHT-UHFFFAOYSA-N 0 2 379.182 3.246 20 0 GGADLN COc1ccc(S(=O)(=O)Nc2nnc(CC(F)(F)F)s2)cc1Cl ZINC000268726966 565165605 /nfs/dbraw/zinc/16/56/05/565165605.db2.gz RIYXCJXSXAJFMW-UHFFFAOYSA-N 0 2 387.792 3.106 20 0 GGADLN O=S(=O)(N[C@@H]1CCCc2cn[nH]c21)c1c(Cl)cccc1C(F)(F)F ZINC000268798361 565167464 /nfs/dbraw/zinc/16/74/64/565167464.db2.gz OVQGHBUMXVVXMK-LLVKDONJSA-N 0 2 379.791 3.438 20 0 GGADLN Cc1cccc(S(=O)(=O)Nc2cc(-c3cccnc3)[nH]n2)c1Br ZINC000158496960 565171164 /nfs/dbraw/zinc/17/11/64/565171164.db2.gz PDNLBWWVDYCKOG-UHFFFAOYSA-N 0 2 393.266 3.343 20 0 GGADLN C[C@@H]1C[C@@H](C)CN(C(=O)c2ccc(S(=O)(=O)Nc3nccs3)cc2)C1 ZINC000158575355 565173485 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Cn1cc(NS(=O)(=O)c2cc(Br)c(Cl)cc2Cl)cn1 ZINC000185194504 565186065 /nfs/dbraw/zinc/18/60/65/565186065.db2.gz FEPPHYGRMUKMCH-UHFFFAOYSA-N 0 2 385.070 3.290 20 0 GGADLN Cc1c(Br)scc1C(=O)N(C)Cc1nc(=O)c2sccc2[nH]1 ZINC000185219649 565188675 /nfs/dbraw/zinc/18/86/75/565188675.db2.gz HKHWNBAEIRTZKF-UHFFFAOYSA-N 0 2 398.307 3.389 20 0 GGADLN Cc1noc(C)c1S(=O)(=O)Nc1cnn(-c2ccccc2Br)c1 ZINC000159067289 565193209 /nfs/dbraw/zinc/19/32/09/565193209.db2.gz BOQVIRMCQMRVLS-UHFFFAOYSA-N 0 2 397.254 3.040 20 0 GGADLN O=S(=O)(Nc1cnn(-c2ccccc2Br)c1)c1ccccc1 ZINC000159075404 565193674 /nfs/dbraw/zinc/19/36/74/565193674.db2.gz HWNFXPGYLSAVFT-UHFFFAOYSA-N 0 2 378.251 3.436 20 0 GGADLN O=C(NC[C@@H](c1cccs1)N1CCOCC1)c1cc(F)cc(Cl)c1O ZINC000159214058 565198028 /nfs/dbraw/zinc/19/80/28/565198028.db2.gz VEPXXLRAMWWFCS-AWEZNQCLSA-N 0 2 384.860 3.050 20 0 GGADLN CCCS(=O)(=O)N1CCCC[C@H]1C(=O)Nc1cc(Cl)c(O)c(Cl)c1 ZINC000159243137 565198964 /nfs/dbraw/zinc/19/89/64/565198964.db2.gz XWOJHYCKDQVCLK-ZDUSSCGKSA-N 0 2 395.308 3.232 20 0 GGADLN Cc1ncc(S(=O)(=O)Nc2ccc(C(=O)NC3CCCC3)cc2C)s1 ZINC000269951717 565203601 /nfs/dbraw/zinc/20/36/01/565203601.db2.gz JIZPIRCOJVDSAS-UHFFFAOYSA-N 0 2 379.507 3.233 20 0 GGADLN O=C(Cc1ccc(NS(=O)(=O)c2cccs2)cc1)N1CCC[C@@H]1CF ZINC000294234174 565203982 /nfs/dbraw/zinc/20/39/82/565203982.db2.gz XBBBJCAQHMHIJX-OAHLLOKOSA-N 0 2 382.482 3.052 20 0 GGADLN Cc1ncc(S(=O)(=O)Nc2ccc(C(=O)N3CCCC[C@@H]3C)cc2)s1 ZINC000270000823 565205367 /nfs/dbraw/zinc/20/53/67/565205367.db2.gz YGZMGWNQQFKQEC-LBPRGKRZSA-N 0 2 379.507 3.267 20 0 GGADLN COc1cc(Br)cc(S(=O)(=O)Nc2cnn(C(C)(C)C)c2)c1 ZINC000185570330 565208672 /nfs/dbraw/zinc/20/86/72/565208672.db2.gz RZTFEBJZXASJBU-UHFFFAOYSA-N 0 2 388.287 3.210 20 0 GGADLN COc1cc(Br)cc(S(=O)(=O)Nc2cc(F)ccc2O)c1 ZINC000185597169 565209915 /nfs/dbraw/zinc/20/99/15/565209915.db2.gz AOGIHSIECMLRAD-UHFFFAOYSA-N 0 2 376.203 3.103 20 0 GGADLN CC(C)c1cc(NS(=O)(=O)c2cc(Br)cc3c2OCC3)[nH]n1 ZINC000185606439 565211252 /nfs/dbraw/zinc/21/12/52/565211252.db2.gz OXFKIMGKQXCMLC-UHFFFAOYSA-N 0 2 386.271 3.031 20 0 GGADLN C[S@@](=O)Cc1ccccc1NS(=O)(=O)c1ccc(Br)s1 ZINC000185655259 565214584 /nfs/dbraw/zinc/21/45/84/565214584.db2.gz BFRWNKKTOSSLIE-LJQANCHMSA-N 0 2 394.337 3.190 20 0 GGADLN C[S@](=O)Cc1ccccc1NS(=O)(=O)c1ccc(Br)s1 ZINC000185655278 565214723 /nfs/dbraw/zinc/21/47/23/565214723.db2.gz BFRWNKKTOSSLIE-IBGZPJMESA-N 0 2 394.337 3.190 20 0 GGADLN Cc1nc(NS(=O)(=O)c2ccc(Br)s2)nc2c1CCCC2 ZINC000185727663 565219574 /nfs/dbraw/zinc/21/95/74/565219574.db2.gz JOUMCNXRWSXEME-UHFFFAOYSA-N 0 2 388.312 3.289 20 0 GGADLN Cc1c(C(F)(F)F)nn(C)c1NS(=O)(=O)c1cnc(Cl)c(Cl)c1 ZINC000185955800 565230882 /nfs/dbraw/zinc/23/08/82/565230882.db2.gz QNQLREFGEWECPC-UHFFFAOYSA-N 0 2 389.186 3.250 20 0 GGADLN COc1cc(Br)cc(S(=O)(=O)Nc2ccc(Cl)cn2)c1 ZINC000186093181 565239186 /nfs/dbraw/zinc/23/91/86/565239186.db2.gz AXVCDVQINAQYHJ-UHFFFAOYSA-N 0 2 377.647 3.307 20 0 GGADLN COc1cc(Br)cc(S(=O)(=O)Nc2nnc(C(C)C)s2)c1 ZINC000186097150 565239923 /nfs/dbraw/zinc/23/99/23/565239923.db2.gz KBLZOKGTNWQAHZ-UHFFFAOYSA-N 0 2 392.300 3.233 20 0 GGADLN Cc1cc(S(=O)(=O)Nc2cccc(Cl)c2S(C)(=O)=O)c(F)cc1F ZINC000186103578 565240623 /nfs/dbraw/zinc/24/06/23/565240623.db2.gz ABKJFKDTVADENY-UHFFFAOYSA-N 0 2 395.836 3.131 20 0 GGADLN O=S(=O)(Nc1nnc(C(F)F)s1)c1ccc(Br)s1 ZINC000160483553 565246731 /nfs/dbraw/zinc/24/67/31/565246731.db2.gz DDMZHTCKHFCSAL-UHFFFAOYSA-N 0 2 376.229 3.101 20 0 GGADLN Cc1cc(S(=O)(=O)Nc2ccc(NC(=O)[C@H]3CCCO3)cc2)sc1C ZINC000271334304 565248754 /nfs/dbraw/zinc/24/87/54/565248754.db2.gz BBVDVGNGCUQYOM-OAHLLOKOSA-N 0 2 380.491 3.283 20 0 GGADLN COC(=O)C(C)(C)c1csc(NS(=O)(=O)Cc2cccc(Cl)c2)n1 ZINC000295166165 565248975 /nfs/dbraw/zinc/24/89/75/565248975.db2.gz FMQXAQSYIAPTMM-UHFFFAOYSA-N 0 2 388.898 3.189 20 0 GGADLN O=S(=O)(Nc1nnc(C2CCOCC2)s1)c1ccc(C(F)(F)F)s1 ZINC000295175331 565249636 /nfs/dbraw/zinc/24/96/36/565249636.db2.gz HNQAVPYBIBQDER-UHFFFAOYSA-N 0 2 399.441 3.313 20 0 GGADLN CCOc1cc(C(=O)N(C)C)ccc1NS(=O)(=O)c1cc(C)c(C)s1 ZINC000271346502 565249771 /nfs/dbraw/zinc/24/97/71/565249771.db2.gz FHRGRGJXUPHNEW-UHFFFAOYSA-N 0 2 382.507 3.266 20 0 GGADLN O=S(=O)(Nc1nnc(C2CCOCC2)s1)c1ccc(F)cc1Cl ZINC000295189025 565250785 /nfs/dbraw/zinc/25/07/85/565250785.db2.gz KMVUNRRETOTRJQ-UHFFFAOYSA-N 0 2 377.850 3.025 20 0 GGADLN COCC[S@](=O)Cc1cccc(NS(=O)(=O)c2cc(C)c(C)s2)c1 ZINC000271387360 565251554 /nfs/dbraw/zinc/25/15/54/565251554.db2.gz QBXMVYJFOBGLNW-QHCPKHFHSA-N 0 2 387.548 3.061 20 0 GGADLN Cc1cc(S(=O)(=O)Nc2cc(C3CC3)nn2-c2ncccn2)sc1C ZINC000271390535 565252200 /nfs/dbraw/zinc/25/22/00/565252200.db2.gz FZOPAYOCFOGCAO-UHFFFAOYSA-N 0 2 375.479 3.019 20 0 GGADLN Cc1cn(-c2ncccc2F)nc1NS(=O)(=O)c1ccc(C)c(Cl)c1 ZINC000372764460 565252983 /nfs/dbraw/zinc/25/29/83/565252983.db2.gz HOAVMZHNNDOIRK-UHFFFAOYSA-N 0 2 380.832 3.477 20 0 GGADLN CCOC(=O)[C@@H]1CCCc2sc(NS(=O)(=O)c3cccc(F)c3)nc21 ZINC000295237565 565254550 /nfs/dbraw/zinc/25/45/50/565254550.db2.gz UNMAXICMTWOLPJ-GFCCVEGCSA-N 0 2 384.454 3.066 20 0 GGADLN CC(C)c1nnc(NS(=O)(=O)c2cnc(Cl)c(Br)c2)s1 ZINC000295311268 565258639 /nfs/dbraw/zinc/25/86/39/565258639.db2.gz NGFHUGKBNXSIEG-UHFFFAOYSA-N 0 2 397.707 3.273 20 0 GGADLN Cc1cc2sc(NS(=O)(=O)c3cnn(CC(F)(F)F)c3)nc2c(C)c1 ZINC000186373191 565258661 /nfs/dbraw/zinc/25/86/61/565258661.db2.gz SLHBHEZTTKROKR-UHFFFAOYSA-N 0 2 390.412 3.473 20 0 GGADLN Cc1cccc(F)c1S(=O)(=O)Nc1ncn(Cc2ccc(Cl)cc2)n1 ZINC000186430127 565260952 /nfs/dbraw/zinc/26/09/52/565260952.db2.gz JJMCMQODZLNGOL-UHFFFAOYSA-N 0 2 380.832 3.228 20 0 GGADLN C[C@@H](C(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)C(C)(F)F ZINC000295349640 565261307 /nfs/dbraw/zinc/26/13/07/565261307.db2.gz IKYOIEPPKZKJBU-VIFPVBQESA-N 0 2 375.422 3.174 20 0 GGADLN O=S(=O)(Nc1ccccc1-c1nnc[nH]1)c1ccc(Br)cc1 ZINC000373086696 565269259 /nfs/dbraw/zinc/26/92/59/565269259.db2.gz DNEONPKZSJZRGA-UHFFFAOYSA-N 0 2 379.239 3.035 20 0 GGADLN CCc1noc2ncc(S(=O)(=O)Nc3cc(C)c(Br)cn3)cc12 ZINC000186599886 565271221 /nfs/dbraw/zinc/27/12/21/565271221.db2.gz REWZNYSWBJISKG-UHFFFAOYSA-N 0 2 397.254 3.052 20 0 GGADLN O=S(=O)(Nc1ccc(O[C@@H]2CCOC2)cc1)c1c(Cl)ccnc1Cl ZINC000272086869 565277152 /nfs/dbraw/zinc/27/71/52/565277152.db2.gz HHBIIZNIRYUASO-GFCCVEGCSA-N 0 2 389.260 3.357 20 0 GGADLN O=S(=O)(Nc1ccc(O[C@H]2CCOC2)cc1)c1c(Cl)ccnc1Cl ZINC000272086872 565277259 /nfs/dbraw/zinc/27/72/59/565277259.db2.gz HHBIIZNIRYUASO-LBPRGKRZSA-N 0 2 389.260 3.357 20 0 GGADLN Cc1nc(NS(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)no1 ZINC000272169452 565279287 /nfs/dbraw/zinc/27/92/87/565279287.db2.gz PRMRRMWPXIQFHO-UHFFFAOYSA-N 0 2 375.250 3.216 20 0 GGADLN Cc1c(Br)cccc1NS(=O)(=O)c1cn(C)nc1C(F)(F)F ZINC000295670267 565280711 /nfs/dbraw/zinc/28/07/11/565280711.db2.gz BFLFJOPABGQLHW-UHFFFAOYSA-N 0 2 398.204 3.311 20 0 GGADLN CC(C)[C@H](NS(=O)(=O)c1c(Cl)ccnc1Cl)c1nc(C2CC2)no1 ZINC000272266302 565282829 /nfs/dbraw/zinc/28/28/29/565282829.db2.gz VZENLZJBKYRIBJ-JTQLQIEISA-N 0 2 391.280 3.324 20 0 GGADLN 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CC(=O)Nc1ccc(S(=O)(=O)Nc2nnc(CCC(C)C)o2)cc1Cl ZINC000278431926 565558477 /nfs/dbraw/zinc/55/84/77/565558477.db2.gz UCULRNYQRRYQDE-UHFFFAOYSA-N 0 2 386.861 3.071 20 0 GGADLN O=S(=O)(Nc1nnc(C2CCCCC2)o1)c1cncc(Br)c1 ZINC000278443913 565558766 /nfs/dbraw/zinc/55/87/66/565558766.db2.gz WNXJBTWWTAPFCE-UHFFFAOYSA-N 0 2 387.259 3.076 20 0 GGADLN CS(=O)(=O)c1cc(NS(=O)(=O)c2ccc(Cl)cc2F)ccc1Cl ZINC000190830727 565561826 /nfs/dbraw/zinc/56/18/26/565561826.db2.gz IRYAPJHZOKHYKP-UHFFFAOYSA-N 0 2 398.264 3.337 20 0 GGADLN Cc1cc(S(=O)(=O)Nc2ccc(Cl)c(S(C)(=O)=O)c2)c(F)cc1F ZINC000190832824 565561969 /nfs/dbraw/zinc/56/19/69/565561969.db2.gz SHEUCOVDMQBKKB-UHFFFAOYSA-N 0 2 395.836 3.131 20 0 GGADLN CCCc1nnc(NS(=O)(=O)c2cccc(Cl)c2Br)o1 ZINC000278508714 565563656 /nfs/dbraw/zinc/56/36/56/565563656.db2.gz DUIKTCFPSHOALU-UHFFFAOYSA-N 0 2 380.651 3.239 20 0 GGADLN COC(C)(C)C[C@H](C)NS(=O)(=O)c1c(F)cc(NC(C)=O)c(Cl)c1F ZINC000173522648 565563919 /nfs/dbraw/zinc/56/39/19/565563919.db2.gz 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COc1cc(Cl)c(S(=O)(=O)Nc2nnc(CCC(C)C)o2)cc1OC ZINC000279027000 565591514 /nfs/dbraw/zinc/59/15/14/565591514.db2.gz AZGASMMGWFHGGC-UHFFFAOYSA-N 0 2 389.861 3.130 20 0 GGADLN COc1cc(Cl)c(S(=O)(=O)Nc2nnc(C(C)C)s2)cc1OC ZINC000279105837 565595494 /nfs/dbraw/zinc/59/54/94/565595494.db2.gz JTYFCPDEYMOKQG-UHFFFAOYSA-N 0 2 377.875 3.133 20 0 GGADLN C[C@@H]1CSCCN(C(=O)c2cccc(NS(=O)(=O)c3cccs3)c2)C1 ZINC000191322171 565596970 /nfs/dbraw/zinc/59/69/70/565596970.db2.gz OMPBUPRQKNWQRU-ZDUSSCGKSA-N 0 2 396.559 3.374 20 0 GGADLN COc1cc(Cl)c(S(=O)(=O)Nc2nnc(CC(C)C)s2)cc1OC ZINC000279156905 565598954 /nfs/dbraw/zinc/59/89/54/565598954.db2.gz PMCPIVRXTJFYFD-UHFFFAOYSA-N 0 2 391.902 3.208 20 0 GGADLN CC(=O)Nc1cc(F)c(S(=O)(=O)Nc2nc3c(s2)CCCC3)c(F)c1 ZINC000173995294 565605146 /nfs/dbraw/zinc/60/51/46/565605146.db2.gz RIKSOLIKIAEGNF-UHFFFAOYSA-N 0 2 387.433 3.059 20 0 GGADLN CC(=O)Nc1cc(F)c(S(=O)(=O)Nc2nc(C(C)C)cs2)c(F)c1 ZINC000173996602 565605649 /nfs/dbraw/zinc/60/56/49/565605649.db2.gz 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GGADLN CC[C@@H]1CCc2nc(NS(=O)(=O)c3cccc(C(=O)OC)c3)sc2C1 ZINC000409538228 565622097 /nfs/dbraw/zinc/62/20/97/565622097.db2.gz RYQJFFDNMDCSDR-LLVKDONJSA-N 0 2 380.491 3.245 20 0 GGADLN CC[C@@H]1CCc2nc(NS(=O)(=O)c3cccc4c3OCCO4)sc2C1 ZINC000409536759 565622678 /nfs/dbraw/zinc/62/26/78/565622678.db2.gz PHBXMSRUADQXEP-LLVKDONJSA-N 0 2 380.491 3.230 20 0 GGADLN Cc1cc(Cl)ccc1Cc1cnc(NS(=O)(=O)c2ccnn2C)s1 ZINC000409527582 565622763 /nfs/dbraw/zinc/62/27/63/565622763.db2.gz DLNAXDQDDAXHSK-UHFFFAOYSA-N 0 2 382.898 3.230 20 0 GGADLN O=C(CC[C@@H]1CCCO1)Nc1nc(-c2ccc(Br)cc2F)n[nH]1 ZINC000409544697 565623337 /nfs/dbraw/zinc/62/33/37/565623337.db2.gz SZYYRXUXAWIMPA-JTQLQIEISA-N 0 2 383.221 3.271 20 0 GGADLN O=C(NCc1nccn1C(F)F)c1cc(Br)cc(Cl)c1O ZINC000174248860 565623564 /nfs/dbraw/zinc/62/35/64/565623564.db2.gz HBWZZGMLKWWZTC-UHFFFAOYSA-N 0 2 380.576 3.330 20 0 GGADLN CC[C@@H]1CCc2nc(NS(=O)(=O)c3cc(C(=O)OC)cs3)sc2C1 ZINC000409538847 565623875 /nfs/dbraw/zinc/62/38/75/565623875.db2.gz 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Cc1ccsc1S(=O)(=O)Nc1cccc(C(=O)N2CCSCC2)c1 ZINC000525006757 567224098 /nfs/dbraw/zinc/22/40/98/567224098.db2.gz PTZUAJYODBXKTA-UHFFFAOYSA-N 0 2 382.532 3.046 20 0 GGADLN O=S(=O)(Nc1cnn(Cc2ccccn2)c1)c1ccc(Cl)cc1Cl ZINC000684653092 567225643 /nfs/dbraw/zinc/22/56/43/567225643.db2.gz KIEBLMDDUPFDTN-UHFFFAOYSA-N 0 2 383.260 3.434 20 0 GGADLN CCCOc1ccccc1NS(=O)(=O)c1cnc2c(Cl)c(C)nn2c1 ZINC000499148269 567227695 /nfs/dbraw/zinc/22/76/95/567227695.db2.gz DHFQDKLSPIOISK-UHFFFAOYSA-N 0 2 380.857 3.281 20 0 GGADLN CCCOc1cccc(NS(=O)(=O)c2cnc3c(Cl)c(C)nn3c2)c1 ZINC000499157275 567227715 /nfs/dbraw/zinc/22/77/15/567227715.db2.gz SPDPRMALTWVGPG-UHFFFAOYSA-N 0 2 380.857 3.281 20 0 GGADLN Cc1nn2cc(S(=O)(=O)Nc3ccc4ncsc4c3)cnc2c1Cl ZINC000499177193 567228626 /nfs/dbraw/zinc/22/86/26/567228626.db2.gz RTLMWOYTPJXNIN-UHFFFAOYSA-N 0 2 379.854 3.102 20 0 GGADLN O=S(=O)(CCOc1ccc(F)cc1)Nc1ccc(Br)cc1O ZINC000525173733 567230842 /nfs/dbraw/zinc/23/08/42/567230842.db2.gz IKCYVADOBMAUIN-UHFFFAOYSA-N 0 2 390.230 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ZINC000455149576 567238137 /nfs/dbraw/zinc/23/81/37/567238137.db2.gz INEXSVLXPMQDDE-UPJWGTAASA-N 0 2 378.523 3.012 20 0 GGADLN CCn1cc([C@@H](C)NC(=O)N=c2nc(-c3ccccc3Cl)[nH]s2)cn1 ZINC000455144003 567238804 /nfs/dbraw/zinc/23/88/04/567238804.db2.gz MKUWSNHOQHHDFF-SNVBAGLBSA-N 0 2 376.873 3.380 20 0 GGADLN COC(=O)Cc1cccc(NS(=O)(=O)c2csc3ccc(Cl)cc23)n1 ZINC000616342432 567240170 /nfs/dbraw/zinc/24/01/70/567240170.db2.gz FWINSJFLIBPVRF-UHFFFAOYSA-N 0 2 396.877 3.466 20 0 GGADLN Cc1cc(Br)cc(S(=O)(=O)Nc2cnn(-c3ccccn3)c2)c1 ZINC000547703713 567240533 /nfs/dbraw/zinc/24/05/33/567240533.db2.gz LNECYHQPKXVDQB-UHFFFAOYSA-N 0 2 393.266 3.139 20 0 GGADLN COC(=O)C(C)(C)c1csc(NS(=O)(=O)c2ccc(F)c(Cl)c2)n1 ZINC000590742154 567243346 /nfs/dbraw/zinc/24/33/46/567243346.db2.gz CAPKWJWTFYDCIZ-UHFFFAOYSA-N 0 2 392.861 3.187 20 0 GGADLN O=S(=O)(Cc1ccc(F)c(Cl)c1)Nc1nc2cc(Cl)ccn2n1 ZINC000567410460 567243555 /nfs/dbraw/zinc/24/35/55/567243555.db2.gz QNBXIZARANQCTR-UHFFFAOYSA-N 0 2 375.212 3.117 20 0 GGADLN CCOC(=O)c1[nH]c(C)c(S(=O)(=O)Nc2ncc(C(C)(C)C)s2)c1C ZINC000433386245 567247139 /nfs/dbraw/zinc/24/71/39/567247139.db2.gz HHUXTADVXDUGPO-UHFFFAOYSA-N 0 2 385.511 3.363 20 0 GGADLN O=C(N=c1ccc(-c2ccc(Br)s2)n[nH]1)NCc1ccccn1 ZINC000433485601 567253603 /nfs/dbraw/zinc/25/36/03/567253603.db2.gz AGPSGDVHRXBBLM-UHFFFAOYSA-N 0 2 390.266 3.106 20 0 GGADLN O=S(=O)(Nc1ccc(-n2cnnn2)cc1)c1cc2cc(Cl)ccc2s1 ZINC000433509991 567255158 /nfs/dbraw/zinc/25/51/58/567255158.db2.gz ORSRYHSBQLSAHJ-UHFFFAOYSA-N 0 2 391.865 3.331 20 0 GGADLN COCCCCCNC(=O)N=c1ccc(-c2ccc(Br)s2)n[nH]1 ZINC000433501921 567255256 /nfs/dbraw/zinc/25/52/56/567255256.db2.gz HMBQFZYSCNJLOD-UHFFFAOYSA-N 0 2 399.314 3.328 20 0 GGADLN Cn1ccc(CNC(=O)N=c2ccc(-c3ccc(Br)s3)n[nH]2)c1 ZINC000433500780 567255355 /nfs/dbraw/zinc/25/53/55/567255355.db2.gz JKWWZNGSOUHTBS-UHFFFAOYSA-N 0 2 392.282 3.050 20 0 GGADLN CCCn1c(C)cc(C(=O)C[N@@H+](C)CCn2cc(Br)cn2)c1C ZINC000685060478 567255435 /nfs/dbraw/zinc/25/54/35/567255435.db2.gz 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/nfs/dbraw/zinc/26/84/60/567268460.db2.gz KLJXQFQUNXWMOL-UHFFFAOYSA-N 0 2 396.241 3.471 20 0 GGADLN COC(=O)c1ccc(NC(=O)C(=O)Nc2cc(Cl)c(O)c(Cl)c2)cc1 ZINC000525853920 567270654 /nfs/dbraw/zinc/27/06/54/567270654.db2.gz ZAZYNQAVRUSHBF-UHFFFAOYSA-N 0 2 383.187 3.063 20 0 GGADLN CCc1cc(Br)ccc1NS(=O)(=O)c1cnn(CC(F)F)c1 ZINC000567717134 567271024 /nfs/dbraw/zinc/27/10/24/567271024.db2.gz CLKNJNRPELHXJD-UHFFFAOYSA-N 0 2 394.241 3.274 20 0 GGADLN Cc1cc(F)c(S(=O)(=O)Nc2ccc(OCC(F)(F)F)nc2)cc1F ZINC000475748184 567271432 /nfs/dbraw/zinc/27/14/32/567271432.db2.gz MLVWNDAPLSMFGB-UHFFFAOYSA-N 0 2 382.310 3.410 20 0 GGADLN COc1ccc(S(=O)(=O)Nc2cccc3c[nH]nc32)c(Br)c1 ZINC000475784834 567275451 /nfs/dbraw/zinc/27/54/51/567275451.db2.gz AULDUWNDLOIHSK-UHFFFAOYSA-N 0 2 382.239 3.135 20 0 GGADLN CC(=O)Nc1ccc(S(=O)(=O)Nc2cnc(CC(C)C)nc2)cc1Cl ZINC000475837199 567281465 /nfs/dbraw/zinc/28/14/65/567281465.db2.gz VYTMOATVJCYRNL-UHFFFAOYSA-N 0 2 382.873 3.088 20 0 GGADLN CC(C)Cc1ncc(NS(=O)(=O)c2cc(F)ccc2Br)cn1 ZINC000475838146 567281917 /nfs/dbraw/zinc/28/19/17/567281917.db2.gz XAWGATJSPQRTJR-UHFFFAOYSA-N 0 2 388.262 3.378 20 0 GGADLN C[C@H]1CC[N@H+](Cc2c(Br)cncc2Br)C[C@@H]1C(=O)[O-] ZINC000567867470 567284371 /nfs/dbraw/zinc/28/43/71/567284371.db2.gz PFKJGMXUNXGQRU-IUCAKERBSA-N 0 2 392.091 3.149 20 0 GGADLN C[C@H]1CC[N@@H+](Cc2c(Br)cncc2Br)C[C@@H]1C(=O)[O-] ZINC000567867470 567284376 /nfs/dbraw/zinc/28/43/76/567284376.db2.gz PFKJGMXUNXGQRU-IUCAKERBSA-N 0 2 392.091 3.149 20 0 GGADLN C[C@@H]1CC[N@H+](Cc2c(Br)cncc2Br)C[C@H]1C(=O)[O-] ZINC000567867471 567284868 /nfs/dbraw/zinc/28/48/68/567284868.db2.gz PFKJGMXUNXGQRU-RKDXNWHRSA-N 0 2 392.091 3.149 20 0 GGADLN C[C@@H]1CC[N@@H+](Cc2c(Br)cncc2Br)C[C@H]1C(=O)[O-] ZINC000567867471 567284872 /nfs/dbraw/zinc/28/48/72/567284872.db2.gz PFKJGMXUNXGQRU-RKDXNWHRSA-N 0 2 392.091 3.149 20 0 GGADLN O=C(NCCc1c[nH]c2ccc(Br)cc12)c1cccc2[nH]nnc21 ZINC000526122383 567293906 /nfs/dbraw/zinc/29/39/06/567293906.db2.gz NOJWKJIIQQYIEE-UHFFFAOYSA-N 0 2 384.237 3.174 20 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599791543 /nfs/dbraw/zinc/79/15/43/599791543.db2.gz AYGQUKADFYECAY-KRWDZBQOSA-N 0 2 397.313 3.344 20 0 GGADLN CN(Cc1ccccc1)C(=O)C[NH2+][C@@H](C(=O)[O-])c1ccccc1C(F)(F)F ZINC000737485992 599791609 /nfs/dbraw/zinc/79/16/09/599791609.db2.gz BEQNPLPBVUJOFJ-QGZVFWFLSA-N 0 2 380.366 3.079 20 0 GGADLN COc1ccccc1C[NH+]1CCN(C(=O)Nc2cc(C(=O)[O-])ccc2C)CC1 ZINC000738134085 599815290 /nfs/dbraw/zinc/81/52/90/599815290.db2.gz XUMRAKKXVGXUHU-UHFFFAOYSA-N 0 2 383.448 3.052 20 0 GGADLN O=C([O-])[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)c2cccc(F)c2F)CC1 ZINC000739514299 599817535 /nfs/dbraw/zinc/81/75/35/599817535.db2.gz WUBFHQFBARIPTD-QGZVFWFLSA-N 0 2 394.805 3.202 20 0 GGADLN CC[C@H](C)[C@@H](NC(=O)C[N@@H+]1CCC[C@H]1c1ccccc1C(F)(F)F)C(=O)[O-] ZINC000736877709 599818828 /nfs/dbraw/zinc/81/88/28/599818828.db2.gz KMQPVJDNHNIQTM-YLQAJVPDSA-N 0 2 386.414 3.458 20 0 GGADLN CC[C@H](C)[C@@H](NC(=O)C[N@H+]1CCC[C@H]1c1ccccc1C(F)(F)F)C(=O)[O-] ZINC000736877709 599818829 /nfs/dbraw/zinc/81/88/29/599818829.db2.gz 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Cc1cccc(OCc2nn(C[N@@H+]3CCCC[C@@H]3CC(=O)[O-])c(=S)o2)c1 ZINC000738737829 599841884 /nfs/dbraw/zinc/84/18/84/599841884.db2.gz MXOKMBFAEKTGBA-CQSZACIVSA-N 0 2 377.466 3.380 20 0 GGADLN Cc1cccc(OCc2nn(C[N@H+]3CCCC[C@@H]3CC(=O)[O-])c(=S)o2)c1 ZINC000738737829 599841885 /nfs/dbraw/zinc/84/18/85/599841885.db2.gz MXOKMBFAEKTGBA-CQSZACIVSA-N 0 2 377.466 3.380 20 0 GGADLN CC(C)[C@@H](NC(=O)[O-])C(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000736369115 599842976 /nfs/dbraw/zinc/84/29/76/599842976.db2.gz QJGFMBOZDLJBTG-GOEBONIOSA-N 0 2 385.867 3.024 20 0 GGADLN COc1ccc([C@@H]([NH2+]CC(=O)N[C@@H](C)c2cccc3ccccc32)C(=O)[O-])cc1 ZINC000737968623 599857867 /nfs/dbraw/zinc/85/78/67/599857867.db2.gz CLTLFJAAKRSCEM-OYHNWAKOSA-N 0 2 392.455 3.441 20 0 GGADLN COc1ccc([C@@H]([NH2+]CC(=O)N[C@H](C)c2cccc3ccccc32)C(=O)[O-])cc1 ZINC000737968617 599857995 /nfs/dbraw/zinc/85/79/95/599857995.db2.gz CLTLFJAAKRSCEM-IVZQSRNASA-N 0 2 392.455 3.441 20 0 GGADLN COc1ccc([C@@H]([NH2+]CC(=O)N[C@@H](c2ccc(F)cc2)C(C)C)C(=O)[O-])cc1 ZINC000737972960 599859358 /nfs/dbraw/zinc/85/93/58/599859358.db2.gz PIRJHVOZGDKHTP-WOJBJXKFSA-N 0 2 388.439 3.063 20 0 GGADLN COc1ccc([C@H]([NH2+]CC(=O)Nc2ccccc2C(F)(F)F)C(=O)[O-])cc1 ZINC000737970117 599859915 /nfs/dbraw/zinc/85/99/15/599859915.db2.gz IIRRBDYJHIMAPY-INIZCTEOSA-N 0 2 382.338 3.068 20 0 GGADLN COc1ccc([C@H]([NH2+]CC(=O)N(C)[C@@H](C)c2cc3ccccc3o2)C(=O)[O-])cc1 ZINC000737964014 599861244 /nfs/dbraw/zinc/86/12/44/599861244.db2.gz DJWDJAKEBLFVMC-QKKBWIMNSA-N 0 2 396.443 3.376 20 0 GGADLN CCN(C(=O)C[NH2+][C@@H](C(=O)[O-])c1ccc(OC)cc1)[C@@H](C)c1ccc(F)cc1 ZINC000737060586 599861285 /nfs/dbraw/zinc/86/12/85/599861285.db2.gz NMLRQWHBWCACTP-VBKZILBWSA-N 0 2 388.439 3.159 20 0 GGADLN CCN(C(=O)C[NH2+][C@@H](C(=O)[O-])c1ccc(OC)cc1)[C@H](C)c1ccc(F)cc1 ZINC000737060585 599861377 /nfs/dbraw/zinc/86/13/77/599861377.db2.gz NMLRQWHBWCACTP-JLTOFOAXSA-N 0 2 388.439 3.159 20 0 GGADLN COc1ccc([C@H]([NH2+]CC(=O)N(Cc2ccco2)c2ccccc2)C(=O)[O-])cc1 ZINC000737964880 599862363 /nfs/dbraw/zinc/86/23/63/599862363.db2.gz PANOFIIEMGCYSA-NRFANRHFSA-N 0 2 394.427 3.237 20 0 GGADLN COc1ccc([C@@H]([NH2+]CC(=O)N[C@H](C)c2ccc3ccccc3c2)C(=O)[O-])cc1 ZINC000737975663 599863217 /nfs/dbraw/zinc/86/32/17/599863217.db2.gz ZQXBIFZBQWLVLG-IVZQSRNASA-N 0 2 392.455 3.441 20 0 GGADLN CC1CCC(OC2CC[NH+](CC(=O)Nc3ccsc3C(=O)[O-])CC2)CC1 ZINC000736773283 599867478 /nfs/dbraw/zinc/86/74/78/599867478.db2.gz RJSMPJHMJANNGH-UHFFFAOYSA-N 0 2 380.510 3.445 20 0 GGADLN CS(=O)(=O)c1ccc(-c2nc(C[N@@H+]3CCCC[C@H]3CC(=O)[O-])cs2)cc1 ZINC000650506645 599873974 /nfs/dbraw/zinc/87/39/74/599873974.db2.gz UBDBJQGNKYFAIB-HNNXBMFYSA-N 0 2 394.518 3.043 20 0 GGADLN CS(=O)(=O)c1ccc(-c2nc(C[N@H+]3CCCC[C@H]3CC(=O)[O-])cs2)cc1 ZINC000650506645 599873975 /nfs/dbraw/zinc/87/39/75/599873975.db2.gz UBDBJQGNKYFAIB-HNNXBMFYSA-N 0 2 394.518 3.043 20 0 GGADLN CS(=O)(=O)c1ccc(-c2nc(C[N@@H+]3CCCC[C@@H]3CC(=O)[O-])cs2)cc1 ZINC000650506646 599873977 /nfs/dbraw/zinc/87/39/77/599873977.db2.gz UBDBJQGNKYFAIB-OAHLLOKOSA-N 0 2 394.518 3.043 20 0 GGADLN CS(=O)(=O)c1ccc(-c2nc(C[N@H+]3CCCC[C@@H]3CC(=O)[O-])cs2)cc1 ZINC000650506646 599873978 /nfs/dbraw/zinc/87/39/78/599873978.db2.gz UBDBJQGNKYFAIB-OAHLLOKOSA-N 0 2 394.518 3.043 20 0 GGADLN O=C([O-])c1cccc(C[NH+]2CCN(C(=O)c3c(F)cccc3Cl)CC2)c1 ZINC000263476256 599874752 /nfs/dbraw/zinc/87/47/52/599874752.db2.gz MQRCPSJDEGJUHY-UHFFFAOYSA-N 0 2 376.815 3.135 20 0 GGADLN CCN(C(C)=O)c1nc(C[N@@H+](Cc2ccccc2)C[C@@H](C)C(=O)[O-])cs1 ZINC000737063097 599888349 /nfs/dbraw/zinc/88/83/49/599888349.db2.gz ZJSHZSIVUGCZTO-CQSZACIVSA-N 0 2 375.494 3.239 20 0 GGADLN CCN(C(C)=O)c1nc(C[N@H+](Cc2ccccc2)C[C@@H](C)C(=O)[O-])cs1 ZINC000737063097 599888351 /nfs/dbraw/zinc/88/83/51/599888351.db2.gz ZJSHZSIVUGCZTO-CQSZACIVSA-N 0 2 375.494 3.239 20 0 GGADLN COc1ccc(C)cc1C[NH+]1CCN(C(=O)c2cccc(NC(=O)[O-])c2)CC1 ZINC000737976670 599898302 /nfs/dbraw/zinc/89/83/02/599898302.db2.gz YGYOQUPTTKULLA-UHFFFAOYSA-N 0 2 383.448 3.052 20 0 GGADLN Cc1cc(NC(=O)c2cccc(NC(=O)CCn3cc[nH+]c3)c2)ccc1C(=O)[O-] ZINC000536386498 599914812 /nfs/dbraw/zinc/91/48/12/599914812.db2.gz OSQCVJWGGSEMAP-UHFFFAOYSA-N 0 2 392.415 3.171 20 0 GGADLN C[C@H](C[N@H+](Cn1nc(C2CC2)n(Cc2ccco2)c1=S)C1CC1)C(=O)[O-] ZINC000736580939 599935163 /nfs/dbraw/zinc/93/51/63/599935163.db2.gz FVLRGSPTKLYFNG-GFCCVEGCSA-N 0 2 376.482 3.075 20 0 GGADLN C[C@H](C[N@@H+](Cn1nc(C2CC2)n(Cc2ccco2)c1=S)C1CC1)C(=O)[O-] ZINC000736580939 599935165 /nfs/dbraw/zinc/93/51/65/599935165.db2.gz FVLRGSPTKLYFNG-GFCCVEGCSA-N 0 2 376.482 3.075 20 0 GGADLN O=C([O-])c1sc2ccccc2c1C[N@@H+]1CCO[C@H](c2noc(C3CC3)n2)C1 ZINC000740281691 599937821 /nfs/dbraw/zinc/93/78/21/599937821.db2.gz TWQLSNYWGBXWAG-AWEZNQCLSA-N 0 2 385.445 3.433 20 0 GGADLN O=C([O-])c1sc2ccccc2c1C[N@H+]1CCO[C@H](c2noc(C3CC3)n2)C1 ZINC000740281691 599937823 /nfs/dbraw/zinc/93/78/23/599937823.db2.gz TWQLSNYWGBXWAG-AWEZNQCLSA-N 0 2 385.445 3.433 20 0 GGADLN CC(C)[C@H](C(=O)Nc1cccc(CSCC(=O)[O-])c1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000736805183 599951319 /nfs/dbraw/zinc/95/13/19/599951319.db2.gz ASQNKIJLVHTJIZ-ZRGWGRIASA-N 0 2 394.537 3.077 20 0 GGADLN CC(C)[C@H](C(=O)Nc1cccc(CSCC(=O)[O-])c1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000736805183 599951321 /nfs/dbraw/zinc/95/13/21/599951321.db2.gz ASQNKIJLVHTJIZ-ZRGWGRIASA-N 0 2 394.537 3.077 20 0 GGADLN Cc1oc(C[N@H+](CCO)Cc2cc(Br)ccc2F)cc1C(=O)[O-] ZINC000738981755 599964152 /nfs/dbraw/zinc/96/41/52/599964152.db2.gz XNJUBXDNZVGJEL-UHFFFAOYSA-N 0 2 386.217 3.182 20 0 GGADLN Cc1oc(C[N@@H+](CCO)Cc2cc(Br)ccc2F)cc1C(=O)[O-] ZINC000738981755 599964155 /nfs/dbraw/zinc/96/41/55/599964155.db2.gz XNJUBXDNZVGJEL-UHFFFAOYSA-N 0 2 386.217 3.182 20 0 GGADLN O=C([O-])[C@@H]1C[N@H+](Cc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)CCO1 ZINC000676231157 599974608 /nfs/dbraw/zinc/97/46/08/599974608.db2.gz IDYNFVNRFWCCES-IBGZPJMESA-N 0 2 397.862 3.478 20 0 GGADLN O=C([O-])[C@@H]1C[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)CCO1 ZINC000676231157 599974610 /nfs/dbraw/zinc/97/46/10/599974610.db2.gz IDYNFVNRFWCCES-IBGZPJMESA-N 0 2 397.862 3.478 20 0 GGADLN COc1cc2c(cc1OC)[C@H](CC(=O)[O-])[N@H+](Cc1cn3cccc(C)c3n1)CC2 ZINC000737905711 599985265 /nfs/dbraw/zinc/98/52/65/599985265.db2.gz QEBDETCEOHMFJE-SFHVURJKSA-N 0 2 395.459 3.234 20 0 GGADLN COc1cc2c(cc1OC)[C@H](CC(=O)[O-])[N@@H+](Cc1cn3cccc(C)c3n1)CC2 ZINC000737905711 599985267 /nfs/dbraw/zinc/98/52/67/599985267.db2.gz QEBDETCEOHMFJE-SFHVURJKSA-N 0 2 395.459 3.234 20 0 GGADLN Cc1c(C(=O)[O-])sc2nc(C)nc(N3CCc4c([nH+]c(C(C)C)n4C)C3)c12 ZINC000581133750 599999534 /nfs/dbraw/zinc/99/95/34/599999534.db2.gz CGNKCOQCTKVGTC-UHFFFAOYSA-N 0 2 385.493 3.426 20 0 GGADLN Cc1cc(N2CCN(C(=O)Nc3ccc(C(=O)[O-])c(C)c3)CC2)nc(C(C)C)[nH+]1 ZINC000738406019 600016561 /nfs/dbraw/zinc/01/65/61/600016561.db2.gz KLGQBKFGHGAFPF-UHFFFAOYSA-N 0 2 397.479 3.269 20 0 GGADLN Cc1cc(C(=O)[O-])c2sc(NC(=O)c3cccc(Cn4cc[nH+]c4)c3)nc2n1 ZINC000738346173 600047381 /nfs/dbraw/zinc/04/73/81/600047381.db2.gz NIYZDMGPWXMJLH-UHFFFAOYSA-N 0 2 393.428 3.195 20 0 GGADLN COc1ccc(C[N@H+](Cc2nc3cc(C(=O)[O-])ccc3c(=O)[nH]2)C2CC2)cc1 ZINC000738004971 600048920 /nfs/dbraw/zinc/04/89/20/600048920.db2.gz YLIOFNOSTSWFQP-UHFFFAOYSA-N 0 2 379.416 3.207 20 0 GGADLN COc1ccc(C[N@@H+](Cc2nc3cc(C(=O)[O-])ccc3c(=O)[nH]2)C2CC2)cc1 ZINC000738004971 600048922 /nfs/dbraw/zinc/04/89/22/600048922.db2.gz YLIOFNOSTSWFQP-UHFFFAOYSA-N 0 2 379.416 3.207 20 0 GGADLN COc1ccc([C@H]2CCC[N@@H+]2CC(=O)Nc2cccc(C(=O)[O-])c2)c(OC)c1 ZINC000737985287 600049522 /nfs/dbraw/zinc/04/95/22/600049522.db2.gz FZAAGACRQMCCNS-GOSISDBHSA-N 0 2 384.432 3.178 20 0 GGADLN COc1ccc([C@H]2CCC[N@H+]2CC(=O)Nc2cccc(C(=O)[O-])c2)c(OC)c1 ZINC000737985287 600049526 /nfs/dbraw/zinc/04/95/26/600049526.db2.gz FZAAGACRQMCCNS-GOSISDBHSA-N 0 2 384.432 3.178 20 0 GGADLN COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)c2[nH]c(C)c(C(=O)[O-])c2C)c(OC)c1 ZINC000737987671 600049644 /nfs/dbraw/zinc/04/96/44/600049644.db2.gz XSBALPRFEZWMAC-INIZCTEOSA-N 0 2 386.448 3.367 20 0 GGADLN COc1ccc([C@@H]2CCC[N@H+]2CC(=O)c2[nH]c(C)c(C(=O)[O-])c2C)c(OC)c1 ZINC000737987671 600049648 /nfs/dbraw/zinc/04/96/48/600049648.db2.gz XSBALPRFEZWMAC-INIZCTEOSA-N 0 2 386.448 3.367 20 0 GGADLN COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)Nc2cccc(C(=O)[O-])c2)c(OC)c1 ZINC000737985290 600049710 /nfs/dbraw/zinc/04/97/10/600049710.db2.gz FZAAGACRQMCCNS-SFHVURJKSA-N 0 2 384.432 3.178 20 0 GGADLN COc1ccc([C@@H]2CCC[N@H+]2CC(=O)Nc2cccc(C(=O)[O-])c2)c(OC)c1 ZINC000737985290 600049713 /nfs/dbraw/zinc/04/97/13/600049713.db2.gz FZAAGACRQMCCNS-SFHVURJKSA-N 0 2 384.432 3.178 20 0 GGADLN COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)Nc2ccccc2C(=O)[O-])c(OC)c1 ZINC000737986291 600049848 /nfs/dbraw/zinc/04/98/48/600049848.db2.gz LCVSVOJCLNQEJP-SFHVURJKSA-N 0 2 384.432 3.178 20 0 GGADLN COc1ccc([C@@H]2CCC[N@H+]2CC(=O)Nc2ccccc2C(=O)[O-])c(OC)c1 ZINC000737986291 600049852 /nfs/dbraw/zinc/04/98/52/600049852.db2.gz LCVSVOJCLNQEJP-SFHVURJKSA-N 0 2 384.432 3.178 20 0 GGADLN C[C@H]1CN(c2ccc(C(=O)[O-])cc2)CC[N@@H+]1Cn1ccc(-c2ccsc2)n1 ZINC000736827745 600073965 /nfs/dbraw/zinc/07/39/65/600073965.db2.gz VCXHSKXJBCZMHU-HNNXBMFYSA-N 0 2 382.489 3.478 20 0 GGADLN C[C@H]1CN(c2ccc(C(=O)[O-])cc2)CC[N@H+]1Cn1ccc(-c2ccsc2)n1 ZINC000736827745 600073969 /nfs/dbraw/zinc/07/39/69/600073969.db2.gz VCXHSKXJBCZMHU-HNNXBMFYSA-N 0 2 382.489 3.478 20 0 GGADLN CC[C@@H]1CCCCN1C(=O)C[NH2+][C@@](C)(C(=O)[O-])c1cccc(Br)c1 ZINC000736942237 600078890 /nfs/dbraw/zinc/07/88/90/600078890.db2.gz SEWHGJRHIHQKDW-CRAIPNDOSA-N 0 2 397.313 3.130 20 0 GGADLN CCc1csc([C@H]2CCC[N@H+](Cc3nc4cc(C(=O)[O-])ccc4c(=O)[nH]3)C2)n1 ZINC000737273874 600092037 /nfs/dbraw/zinc/09/20/37/600092037.db2.gz CGQXPDFNKGIFMY-ZDUSSCGKSA-N 0 2 398.488 3.432 20 0 GGADLN CCc1csc([C@H]2CCC[N@@H+](Cc3nc4cc(C(=O)[O-])ccc4c(=O)[nH]3)C2)n1 ZINC000737273874 600092039 /nfs/dbraw/zinc/09/20/39/600092039.db2.gz CGQXPDFNKGIFMY-ZDUSSCGKSA-N 0 2 398.488 3.432 20 0 GGADLN Cc1[nH]c(C(=O)[C@@H](C)N2CC[C@@H](CNc3cccc(C)[nH+]3)C2)c(C)c1C(=O)[O-] ZINC000738736413 600094910 /nfs/dbraw/zinc/09/49/10/600094910.db2.gz LHVPQSSFOHGXFP-CVEARBPZSA-N 0 2 384.480 3.038 20 0 GGADLN Cc1[nH]c(C(=O)[C@@H](C)N2CC[C@@H](CNc3cc(C)cc[nH+]3)C2)c(C)c1C(=O)[O-] ZINC000738798947 600096881 /nfs/dbraw/zinc/09/68/81/600096881.db2.gz VWYJCQWGEYAVGE-CVEARBPZSA-N 0 2 384.480 3.038 20 0 GGADLN COc1cccc([C@@H](C)[NH+]2CCN(C(=O)Nc3ccc(C(=O)[O-])cc3)CC2)c1 ZINC000738092177 600120450 /nfs/dbraw/zinc/12/04/50/600120450.db2.gz OLWIVBHUOSZCDP-OAHLLOKOSA-N 0 2 383.448 3.304 20 0 GGADLN COc1cccc([C@H](C)[NH+]2CCN(C(=O)Nc3ccc(CC(=O)[O-])cc3)CC2)c1 ZINC000738090879 600121263 /nfs/dbraw/zinc/12/12/63/600121263.db2.gz JCYBXVHLGCMDAI-INIZCTEOSA-N 0 2 397.475 3.233 20 0 GGADLN C[N@H+](CC(=O)Nc1cc(C2CCCC2)nn1-c1ccccc1)C(C)(C)C(=O)[O-] ZINC000737394258 600137022 /nfs/dbraw/zinc/13/70/22/600137022.db2.gz CJVFLCMXYFFFOL-UHFFFAOYSA-N 0 2 384.480 3.263 20 0 GGADLN C[N@@H+](CC(=O)Nc1cc(C2CCCC2)nn1-c1ccccc1)C(C)(C)C(=O)[O-] ZINC000737394258 600137024 /nfs/dbraw/zinc/13/70/24/600137024.db2.gz CJVFLCMXYFFFOL-UHFFFAOYSA-N 0 2 384.480 3.263 20 0 GGADLN C[N@H+](CC(=O)N1N=C(c2cccs2)C[C@H]1c1cccs1)C(C)(C)C(=O)[O-] ZINC000737388203 600137432 /nfs/dbraw/zinc/13/74/32/600137432.db2.gz FFVCGGWAXKYEBG-ZDUSSCGKSA-N 0 2 391.518 3.282 20 0 GGADLN C[N@@H+](CC(=O)N1N=C(c2cccs2)C[C@H]1c1cccs1)C(C)(C)C(=O)[O-] ZINC000737388203 600137436 /nfs/dbraw/zinc/13/74/36/600137436.db2.gz FFVCGGWAXKYEBG-ZDUSSCGKSA-N 0 2 391.518 3.282 20 0 GGADLN Cc1cc(C)c(-c2csc(NC(=O)C[N@@H+](C)C(C)(C)C(=O)[O-])n2)c(C)c1 ZINC000738352845 600137732 /nfs/dbraw/zinc/13/77/32/600137732.db2.gz WJBKQSSJSXFYAA-UHFFFAOYSA-N 0 2 375.494 3.469 20 0 GGADLN Cc1cc(C)c(-c2csc(NC(=O)C[N@H+](C)C(C)(C)C(=O)[O-])n2)c(C)c1 ZINC000738352845 600137736 /nfs/dbraw/zinc/13/77/36/600137736.db2.gz WJBKQSSJSXFYAA-UHFFFAOYSA-N 0 2 375.494 3.469 20 0 GGADLN CCc1[nH]c(C(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)c(C)c1C(=O)[O-] ZINC000737243157 600149417 /nfs/dbraw/zinc/14/94/17/600149417.db2.gz BKBIFCWTWNFYQC-UHFFFAOYSA-N 0 2 384.480 3.289 20 0 GGADLN C[C@H]1CCCN(c2cc(N3CCc4[nH]c5ccc(C(=O)[O-])cc5c4C3)nc[nH+]2)C1 ZINC000518777256 600179620 /nfs/dbraw/zinc/17/96/20/600179620.db2.gz YDQFFYLFYOJZCL-AWEZNQCLSA-N 0 2 391.475 3.455 20 0 GGADLN C[C@H]1CCCN(c2cc(N3CCc4[nH]c5ccc(C(=O)[O-])cc5c4C3)[nH+]cn2)C1 ZINC000518777256 600179623 /nfs/dbraw/zinc/17/96/23/600179623.db2.gz YDQFFYLFYOJZCL-AWEZNQCLSA-N 0 2 391.475 3.455 20 0 GGADLN C[C@@H]1CCCN(c2cc(N3CCN(c4ccc(C(=O)[O-])cc4)C[C@@H]3C)nc[nH+]2)C1 ZINC000736791533 600207387 /nfs/dbraw/zinc/20/73/87/600207387.db2.gz OQENRBYSKGFMPJ-SJORKVTESA-N 0 2 395.507 3.126 20 0 GGADLN C[C@@H]1CCCN(c2cc(N3CCN(c4ccc(C(=O)[O-])cc4)C[C@@H]3C)[nH+]cn2)C1 ZINC000736791533 600207390 /nfs/dbraw/zinc/20/73/90/600207390.db2.gz OQENRBYSKGFMPJ-SJORKVTESA-N 0 2 395.507 3.126 20 0 GGADLN COC(=O)c1ccc2c(c1)C[N@@H+](C[C@@H](C)CN1Cc3ccc(C(=O)[O-])cc3C1)C2 ZINC000737703225 600208522 /nfs/dbraw/zinc/20/85/22/600208522.db2.gz UJOBAYVFQNKZHO-HNNXBMFYSA-N 0 2 394.471 3.139 20 0 GGADLN COC(=O)c1ccc2c(c1)C[N@H+](C[C@@H](C)CN1Cc3ccc(C(=O)[O-])cc3C1)C2 ZINC000737703225 600208523 /nfs/dbraw/zinc/20/85/23/600208523.db2.gz UJOBAYVFQNKZHO-HNNXBMFYSA-N 0 2 394.471 3.139 20 0 GGADLN Cc1ccc([C@@H]2CSCC[N@H+]2CC(=O)N(C)c2ccccc2C(=O)[O-])cc1 ZINC000738583969 600232454 /nfs/dbraw/zinc/23/24/54/600232454.db2.gz VIYINVBRLFIYFV-IBGZPJMESA-N 0 2 384.501 3.446 20 0 GGADLN Cc1ccc([C@@H]2CSCC[N@@H+]2CC(=O)N(C)c2ccccc2C(=O)[O-])cc1 ZINC000738583969 600232455 /nfs/dbraw/zinc/23/24/55/600232455.db2.gz VIYINVBRLFIYFV-IBGZPJMESA-N 0 2 384.501 3.446 20 0 GGADLN O=C([O-])c1ccc(Cl)cc1S(=O)(=O)Nc1cccc(-n2cc[nH+]c2)c1 ZINC000740136751 600247282 /nfs/dbraw/zinc/24/72/82/600247282.db2.gz XDVMGXJWIAEETM-UHFFFAOYSA-N 0 2 377.809 3.025 20 0 GGADLN CNC(=O)C[N@H+](Cc1cccc(C(F)(F)F)c1)Cc1ccc(F)cc1C(=O)[O-] ZINC000737540951 600262162 /nfs/dbraw/zinc/26/21/62/600262162.db2.gz RNEFDRVEXFTEPC-UHFFFAOYSA-N 0 2 398.356 3.291 20 0 GGADLN CNC(=O)C[N@@H+](Cc1cccc(C(F)(F)F)c1)Cc1ccc(F)cc1C(=O)[O-] ZINC000737540951 600262163 /nfs/dbraw/zinc/26/21/63/600262163.db2.gz RNEFDRVEXFTEPC-UHFFFAOYSA-N 0 2 398.356 3.291 20 0 GGADLN CC(C)C[C@H](NC(=O)[O-])C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000736424104 600271410 /nfs/dbraw/zinc/27/14/10/600271410.db2.gz XIGQNOTUAMIHIF-WBVHZDCISA-N 0 2 399.894 3.242 20 0 GGADLN CC(C)C[C@H](NC(=O)[O-])C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000736424104 600271412 /nfs/dbraw/zinc/27/14/12/600271412.db2.gz XIGQNOTUAMIHIF-WBVHZDCISA-N 0 2 399.894 3.242 20 0 GGADLN C[C@@H]1CCCN(C(=O)C[N@H+](CCc2ccc(Cl)cc2Cl)CC(=O)[O-])C1 ZINC000736790377 600273118 /nfs/dbraw/zinc/27/31/18/600273118.db2.gz WEBJYGZRDPZYGU-CYBMUJFWSA-N 0 2 387.307 3.181 20 0 GGADLN C[C@@H]1CCCN(C(=O)C[N@@H+](CCc2ccc(Cl)cc2Cl)CC(=O)[O-])C1 ZINC000736790377 600273119 /nfs/dbraw/zinc/27/31/19/600273119.db2.gz WEBJYGZRDPZYGU-CYBMUJFWSA-N 0 2 387.307 3.181 20 0 GGADLN 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MLGHSSFKZADHEU-QGZVFWFLSA-N 0 2 389.473 3.089 20 0 GGADLN C[NH+](C)[C@H](C(=O)Nc1nc(CCCC(=O)[O-])cs1)c1cccc(Cl)c1 ZINC000830579914 601785296 /nfs/dbraw/zinc/78/52/96/601785296.db2.gz CYZQZZIXUUKBNV-HNNXBMFYSA-N 0 2 381.885 3.445 20 0 GGADLN C[C@@H]1C[N@H+](Cn2nc(-c3ccncc3)n(-c3ccccc3)c2=S)C[C@H]1C(=O)[O-] ZINC000828461917 601818822 /nfs/dbraw/zinc/81/88/22/601818822.db2.gz FFLZKXCBILOFGY-RHSMWYFYSA-N 0 2 395.488 3.075 20 0 GGADLN C[C@@H]1C[N@@H+](Cn2nc(-c3ccncc3)n(-c3ccccc3)c2=S)C[C@H]1C(=O)[O-] ZINC000828461917 601818825 /nfs/dbraw/zinc/81/88/25/601818825.db2.gz FFLZKXCBILOFGY-RHSMWYFYSA-N 0 2 395.488 3.075 20 0 GGADLN C[C@@H]1C[N@H+](Cn2nc(Cc3c(F)cccc3Cl)oc2=S)C[C@@H]1C(=O)[O-] ZINC000828471629 601820376 /nfs/dbraw/zinc/82/03/76/601820376.db2.gz NHHLCXXVJGWWQW-KOLCDFICSA-N 0 2 385.848 3.199 20 0 GGADLN C[C@@H]1C[N@@H+](Cn2nc(Cc3c(F)cccc3Cl)oc2=S)C[C@@H]1C(=O)[O-] ZINC000828471629 601820377 /nfs/dbraw/zinc/82/03/77/601820377.db2.gz NHHLCXXVJGWWQW-KOLCDFICSA-N 0 2 385.848 3.199 20 0 GGADLN O=C([O-])c1cc(S(=O)(=O)Nc2ccc(-n3cc[nH+]c3)cc2)ccc1Cl ZINC000833304207 601835335 /nfs/dbraw/zinc/83/53/35/601835335.db2.gz VIVHITLICRAQJH-UHFFFAOYSA-N 0 2 377.809 3.025 20 0 GGADLN CC(C)[N@@H+](Cc1cccs1)CN1C(=O)CN(c2cccc(C(=O)[O-])c2)C1=O ZINC000826951510 601875239 /nfs/dbraw/zinc/87/52/39/601875239.db2.gz LEBONTJALFBSJM-UHFFFAOYSA-N 0 2 387.461 3.083 20 0 GGADLN CC(C)[N@H+](Cc1cccs1)CN1C(=O)CN(c2cccc(C(=O)[O-])c2)C1=O ZINC000826951510 601875243 /nfs/dbraw/zinc/87/52/43/601875243.db2.gz LEBONTJALFBSJM-UHFFFAOYSA-N 0 2 387.461 3.083 20 0 GGADLN Cc1ccccc1C[N@H+](CN1C(=O)CN(c2cccc(C(=O)[O-])c2)C1=O)C1CC1 ZINC000832979731 601875741 /nfs/dbraw/zinc/87/57/41/601875741.db2.gz PLZNJSVYLKWHSX-UHFFFAOYSA-N 0 2 393.443 3.084 20 0 GGADLN Cc1ccccc1C[N@@H+](CN1C(=O)CN(c2cccc(C(=O)[O-])c2)C1=O)C1CC1 ZINC000832979731 601875744 /nfs/dbraw/zinc/87/57/44/601875744.db2.gz PLZNJSVYLKWHSX-UHFFFAOYSA-N 0 2 393.443 3.084 20 0 GGADLN C[C@]1(C(=O)[O-])CC[N@H+](Cn2nc(-c3ccccc3)n(Cc3ccco3)c2=S)C1 ZINC000828029362 601888857 /nfs/dbraw/zinc/88/88/57/601888857.db2.gz ZFZZSWSDNVGSRD-FQEVSTJZSA-N 0 2 398.488 3.476 20 0 GGADLN C[C@]1(C(=O)[O-])CC[N@@H+](Cn2nc(-c3ccccc3)n(Cc3ccco3)c2=S)C1 ZINC000828029362 601888861 /nfs/dbraw/zinc/88/88/61/601888861.db2.gz ZFZZSWSDNVGSRD-FQEVSTJZSA-N 0 2 398.488 3.476 20 0 GGADLN C[C@@]1(C(=O)[O-])CC[N@H+](Cn2nc(-c3ccccc3)n(Cc3ccco3)c2=S)C1 ZINC000828029363 601889093 /nfs/dbraw/zinc/88/90/93/601889093.db2.gz ZFZZSWSDNVGSRD-HXUWFJFHSA-N 0 2 398.488 3.476 20 0 GGADLN C[C@@]1(C(=O)[O-])CC[N@@H+](Cn2nc(-c3ccccc3)n(Cc3ccco3)c2=S)C1 ZINC000828029363 601889095 /nfs/dbraw/zinc/88/90/95/601889095.db2.gz ZFZZSWSDNVGSRD-HXUWFJFHSA-N 0 2 398.488 3.476 20 0 GGADLN C[C@@]1(C(=O)[O-])CC[N@H+](Cn2nc(-c3ccccc3Br)oc2=S)C1 ZINC000828029144 601893670 /nfs/dbraw/zinc/89/36/70/601893670.db2.gz SDLLWZWSJQNXAV-OAHLLOKOSA-N 0 2 398.282 3.389 20 0 GGADLN C[C@@]1(C(=O)[O-])CC[N@@H+](Cn2nc(-c3ccccc3Br)oc2=S)C1 ZINC000828029144 601893672 /nfs/dbraw/zinc/89/36/72/601893672.db2.gz SDLLWZWSJQNXAV-OAHLLOKOSA-N 0 2 398.282 3.389 20 0 GGADLN C[C@]1(C(=O)[O-])CC[N@H+](Cn2[nH]c(-c3ccccc3Br)nc2=S)C1 ZINC000828028967 601893827 /nfs/dbraw/zinc/89/38/27/601893827.db2.gz KIMAHXYLKSODCF-HNNXBMFYSA-N 0 2 397.298 3.124 20 0 GGADLN C[C@]1(C(=O)[O-])CC[N@@H+](Cn2[nH]c(-c3ccccc3Br)nc2=S)C1 ZINC000828028967 601893830 /nfs/dbraw/zinc/89/38/30/601893830.db2.gz KIMAHXYLKSODCF-HNNXBMFYSA-N 0 2 397.298 3.124 20 0 GGADLN C[C@@]1(C(=O)[O-])CC[N@H+](Cn2[nH]c(-c3ccc(Br)cc3)nc2=S)C1 ZINC000828028868 601895457 /nfs/dbraw/zinc/89/54/57/601895457.db2.gz GEEAGKGZVLHZBY-OAHLLOKOSA-N 0 2 397.298 3.124 20 0 GGADLN C[C@@]1(C(=O)[O-])CC[N@@H+](Cn2[nH]c(-c3ccc(Br)cc3)nc2=S)C1 ZINC000828028868 601895460 /nfs/dbraw/zinc/89/54/60/601895460.db2.gz GEEAGKGZVLHZBY-OAHLLOKOSA-N 0 2 397.298 3.124 20 0 GGADLN C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)CO[NH+]=C(N)c1cccc(C(=O)[O-])c1 ZINC000827935919 601902218 /nfs/dbraw/zinc/90/22/18/601902218.db2.gz XCIKNSJIYTUPNA-LBPRGKRZSA-N 0 2 389.839 3.104 20 0 GGADLN C[C@H](c1ccc(Cl)cc1)N(C)C(=O)CO[NH+]=C(N)c1cccc(C(=O)[O-])c1 ZINC000827935918 601902249 /nfs/dbraw/zinc/90/22/49/601902249.db2.gz XCIKNSJIYTUPNA-GFCCVEGCSA-N 0 2 389.839 3.104 20 0 GGADLN NC(=[NH+]OCC(=O)N[C@H](c1ccccc1)C1CCCC1)c1cccc(C(=O)[O-])c1 ZINC000833078659 601903521 /nfs/dbraw/zinc/90/35/21/601903521.db2.gz NLJPLKOPTARPPZ-HXUWFJFHSA-N 0 2 395.459 3.279 20 0 GGADLN C[N@H+](CC(=O)Nc1ccccc1C(=O)[O-])Cc1cccc(OC(F)(F)F)c1 ZINC000830683949 601909355 /nfs/dbraw/zinc/90/93/55/601909355.db2.gz SYGZJELJZMOUBW-UHFFFAOYSA-N 0 2 382.338 3.354 20 0 GGADLN C[N@@H+](CC(=O)Nc1ccccc1C(=O)[O-])Cc1cccc(OC(F)(F)F)c1 ZINC000830683949 601909357 /nfs/dbraw/zinc/90/93/57/601909357.db2.gz SYGZJELJZMOUBW-UHFFFAOYSA-N 0 2 382.338 3.354 20 0 GGADLN O=C([O-])Nc1cc(C(=O)N2CCN(c3cccc[nH+]3)CC2)cc(C(F)(F)F)c1 ZINC000833281789 601952244 /nfs/dbraw/zinc/95/22/44/601952244.db2.gz OMPGPYKQYBBVKU-UHFFFAOYSA-N 0 2 394.353 3.153 20 0 GGADLN C[C@H](c1cccc(NC(=O)Nc2cccc(CC(=O)[O-])c2)c1)[NH+]1CCOCC1 ZINC000737720768 602102637 /nfs/dbraw/zinc/10/26/37/602102637.db2.gz JVVIBVDMDLIBGF-OAHLLOKOSA-N 0 2 383.448 3.351 20 0 GGADLN C[C@@H](CC(=O)[O-])C(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000827295186 602147566 /nfs/dbraw/zinc/14/75/66/602147566.db2.gz GBKGRKCZTUEBMM-INIZCTEOSA-N 0 2 377.444 3.325 20 0 GGADLN C[C@H](CC(=O)[O-])C(=O)N(CCCn1cc[nH+]c1)Cc1c(F)cccc1Cl ZINC000827247632 602156939 /nfs/dbraw/zinc/15/69/39/602156939.db2.gz OZESQBOHBJOJEB-CYBMUJFWSA-N 0 2 381.835 3.205 20 0 GGADLN C[C@@H](C[N@@H+](Cc1ccccc1)Cn1nc(-c2ccccn2)n(C)c1=S)C(=O)[O-] ZINC000827455906 602193848 /nfs/dbraw/zinc/19/38/48/602193848.db2.gz PBEFVHKDBFGTHI-HNNXBMFYSA-N 0 2 397.504 3.193 20 0 GGADLN C[C@@H](C[N@H+](Cc1ccccc1)Cn1nc(-c2ccccn2)n(C)c1=S)C(=O)[O-] ZINC000827455906 602193851 /nfs/dbraw/zinc/19/38/51/602193851.db2.gz PBEFVHKDBFGTHI-HNNXBMFYSA-N 0 2 397.504 3.193 20 0 GGADLN Cc1nnc([C@@H]2CCC[N@H+](Cc3csc(-c4ccc(C(=O)[O-])cc4)n3)C2)[nH]1 ZINC000832997238 602234733 /nfs/dbraw/zinc/23/47/33/602234733.db2.gz USCPZEVOEJWQBH-OAHLLOKOSA-N 0 2 383.477 3.314 20 0 GGADLN Cc1nnc([C@@H]2CCC[N@@H+](Cc3csc(-c4ccc(C(=O)[O-])cc4)n3)C2)[nH]1 ZINC000832997238 602234737 /nfs/dbraw/zinc/23/47/37/602234737.db2.gz USCPZEVOEJWQBH-OAHLLOKOSA-N 0 2 383.477 3.314 20 0 GGADLN Cc1n[nH]c([C@@H]2CCC[N@H+](Cc3csc(-c4ccc(C(=O)[O-])cc4)n3)C2)n1 ZINC000832997238 602234741 /nfs/dbraw/zinc/23/47/41/602234741.db2.gz USCPZEVOEJWQBH-OAHLLOKOSA-N 0 2 383.477 3.314 20 0 GGADLN Cc1n[nH]c([C@@H]2CCC[N@@H+](Cc3csc(-c4ccc(C(=O)[O-])cc4)n3)C2)n1 ZINC000832997238 602234743 /nfs/dbraw/zinc/23/47/43/602234743.db2.gz USCPZEVOEJWQBH-OAHLLOKOSA-N 0 2 383.477 3.314 20 0 GGADLN C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)c1ccc(NC(=O)[O-])cc1 ZINC000736583890 602265270 /nfs/dbraw/zinc/26/52/70/602265270.db2.gz COXUWQIGYTURBV-QGZVFWFLSA-N 0 2 397.475 3.140 20 0 GGADLN CC(C)c1cnc(C[N@H+](C)[C@H]2CCN(C(=O)Nc3cccc(C(=O)[O-])c3)C2)o1 ZINC000827139854 602310337 /nfs/dbraw/zinc/31/03/37/602310337.db2.gz TXVHENRBLZNQKD-INIZCTEOSA-N 0 2 386.452 3.234 20 0 GGADLN CC(C)c1cnc(C[N@@H+](C)[C@H]2CCN(C(=O)Nc3cccc(C(=O)[O-])c3)C2)o1 ZINC000827139854 602310342 /nfs/dbraw/zinc/31/03/42/602310342.db2.gz TXVHENRBLZNQKD-INIZCTEOSA-N 0 2 386.452 3.234 20 0 GGADLN CC(C)c1cnc(C[N@H+](C)[C@@H]2CCN(C(=O)c3ccccc3NC(=O)[O-])C2)o1 ZINC000827139582 602316840 /nfs/dbraw/zinc/31/68/40/602316840.db2.gz PDMZLAXECSTHEW-CQSZACIVSA-N 0 2 386.452 3.234 20 0 GGADLN CC(C)c1cnc(C[N@@H+](C)[C@@H]2CCN(C(=O)c3ccccc3NC(=O)[O-])C2)o1 ZINC000827139582 602316844 /nfs/dbraw/zinc/31/68/44/602316844.db2.gz PDMZLAXECSTHEW-CQSZACIVSA-N 0 2 386.452 3.234 20 0 GGADLN CC(C)c1cnc(C[N@H+](C)[C@@H]2CCN(C(=O)CCc3ccc(C(=O)[O-])cc3)C2)o1 ZINC000827139769 602316961 /nfs/dbraw/zinc/31/69/61/602316961.db2.gz PKSSMUVVAVOBKN-GOSISDBHSA-N 0 2 399.491 3.162 20 0 GGADLN CC(C)c1cnc(C[N@@H+](C)[C@@H]2CCN(C(=O)CCc3ccc(C(=O)[O-])cc3)C2)o1 ZINC000827139769 602316963 /nfs/dbraw/zinc/31/69/63/602316963.db2.gz PKSSMUVVAVOBKN-GOSISDBHSA-N 0 2 399.491 3.162 20 0 GGADLN CC(C)c1cnc(C[N@H+](C)[C@H]2CCN(C(=O)c3ccccc3NC(=O)[O-])C2)o1 ZINC000827139581 602317261 /nfs/dbraw/zinc/31/72/61/602317261.db2.gz PDMZLAXECSTHEW-AWEZNQCLSA-N 0 2 386.452 3.234 20 0 GGADLN CC(C)c1cnc(C[N@@H+](C)[C@H]2CCN(C(=O)c3ccccc3NC(=O)[O-])C2)o1 ZINC000827139581 602317264 /nfs/dbraw/zinc/31/72/64/602317264.db2.gz PDMZLAXECSTHEW-AWEZNQCLSA-N 0 2 386.452 3.234 20 0 GGADLN COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])[N@H+](Cc1c(C)nc3ccccn31)CC2 ZINC000832103496 602325538 /nfs/dbraw/zinc/32/55/38/602325538.db2.gz SXJKGKHOYPGTPR-QGZVFWFLSA-N 0 2 395.459 3.234 20 0 GGADLN COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])[N@@H+](Cc1c(C)nc3ccccn31)CC2 ZINC000832103496 602325543 /nfs/dbraw/zinc/32/55/43/602325543.db2.gz SXJKGKHOYPGTPR-QGZVFWFLSA-N 0 2 395.459 3.234 20 0 GGADLN CCN(c1cc[nH+]cc1)S(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl ZINC000185147875 602325525 /nfs/dbraw/zinc/32/55/25/602325525.db2.gz WKUGDPJPNTWMPO-UHFFFAOYSA-N 0 2 375.233 3.302 20 0 GGADLN Cc1ccccc1NC(=O)Cc1nc(C[N@H+](CC(=O)[O-])C2CCCC2)cs1 ZINC000832979204 602332252 /nfs/dbraw/zinc/33/22/52/602332252.db2.gz WMZHBNPCHLBZHY-UHFFFAOYSA-N 0 2 387.505 3.462 20 0 GGADLN Cc1ccccc1NC(=O)Cc1nc(C[N@@H+](CC(=O)[O-])C2CCCC2)cs1 ZINC000832979204 602332255 /nfs/dbraw/zinc/33/22/55/602332255.db2.gz WMZHBNPCHLBZHY-UHFFFAOYSA-N 0 2 387.505 3.462 20 0 GGADLN O=C([O-])C[N@H+](Cc1nc(-c2ccc(Br)s2)no1)C1CCCC1 ZINC000833249075 602335892 /nfs/dbraw/zinc/33/58/92/602335892.db2.gz ZDQFVFKBYYETGB-UHFFFAOYSA-N 0 2 386.271 3.390 20 0 GGADLN O=C([O-])C[N@@H+](Cc1nc(-c2ccc(Br)s2)no1)C1CCCC1 ZINC000833249075 602335896 /nfs/dbraw/zinc/33/58/96/602335896.db2.gz ZDQFVFKBYYETGB-UHFFFAOYSA-N 0 2 386.271 3.390 20 0 GGADLN C[C@H]1CCN(C(=O)Nc2cc(C(=O)[O-])ccc2N2CCCC2)C[C@@H]1n1cc[nH+]c1 ZINC000828279314 602350436 /nfs/dbraw/zinc/35/04/36/602350436.db2.gz WMPRDDKOXYOBCR-KXBFYZLASA-N 0 2 397.479 3.297 20 0 GGADLN CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)N1CC[C@H](C)[C@@H](n2cc[nH+]c2)C1 ZINC000827041676 602352572 /nfs/dbraw/zinc/35/25/72/602352572.db2.gz FPUIZGRGSKBDOR-YOEHRIQHSA-N 0 2 386.452 3.484 20 0 GGADLN Cc1cc(S(=O)(=O)N(Cc2ccccc2)c2cc[nH+]cc2)ccc1C(=O)[O-] ZINC000832901589 602401442 /nfs/dbraw/zinc/40/14/42/602401442.db2.gz AGENCTMZPCDIIG-UHFFFAOYSA-N 0 2 382.441 3.484 20 0 GGADLN Cc1nc(C[NH+]2CCC(C(=O)Oc3ccc(NC(=O)[O-])cc3)CC2)cs1 ZINC000738347779 602964741 /nfs/dbraw/zinc/96/47/41/602964741.db2.gz BGCVHXPQXPRQJL-UHFFFAOYSA-N 0 2 375.450 3.359 20 0 GGADLN O=C([O-])CCCN(Cc1ccccc1)C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000833226647 604353068 /nfs/dbraw/zinc/35/30/68/604353068.db2.gz OZJYCKVNPAVLAW-UHFFFAOYSA-N 0 2 377.444 3.439 20 0 GGADLN CC[N@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)[C@H](C)c1cc(C)c(C(=O)[O-])o1 ZINC000829623815 604381519 /nfs/dbraw/zinc/38/15/19/604381519.db2.gz AXIQSVUTGHCKMK-CYBMUJFWSA-N 0 2 387.436 3.266 20 0 GGADLN CC[N@@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)[C@H](C)c1cc(C)c(C(=O)[O-])o1 ZINC000829623815 604381522 /nfs/dbraw/zinc/38/15/22/604381522.db2.gz AXIQSVUTGHCKMK-CYBMUJFWSA-N 0 2 387.436 3.266 20 0 GGADLN Cc1cc([C@H](C)[NH+]2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)oc1C(=O)[O-] ZINC000832870804 604384528 /nfs/dbraw/zinc/38/45/28/604384528.db2.gz MHHHMKZIHOVQJP-HNNXBMFYSA-N 0 2 395.459 3.215 20 0 GGADLN COC(=O)c1ccc2c(c1)C[N@H+]([C@@H](C)CCN1Cc3ccc(C(=O)[O-])cc3C1)C2 ZINC000831449382 604437270 /nfs/dbraw/zinc/43/72/70/604437270.db2.gz SAGNJURARMGGQW-HNNXBMFYSA-N 0 2 394.471 3.281 20 0 GGADLN COC(=O)c1ccc2c(c1)C[N@@H+]([C@@H](C)CCN1Cc3ccc(C(=O)[O-])cc3C1)C2 ZINC000831449382 604437271 /nfs/dbraw/zinc/43/72/71/604437271.db2.gz SAGNJURARMGGQW-HNNXBMFYSA-N 0 2 394.471 3.281 20 0 GGADLN COC(=O)c1ccc2c(c1)C[N@H+]([C@H](C)CCN1Cc3ccc(C(=O)[O-])cc3C1)C2 ZINC000831449383 604437296 /nfs/dbraw/zinc/43/72/96/604437296.db2.gz SAGNJURARMGGQW-OAHLLOKOSA-N 0 2 394.471 3.281 20 0 GGADLN COC(=O)c1ccc2c(c1)C[N@@H+]([C@H](C)CCN1Cc3ccc(C(=O)[O-])cc3C1)C2 ZINC000831449383 604437298 /nfs/dbraw/zinc/43/72/98/604437298.db2.gz SAGNJURARMGGQW-OAHLLOKOSA-N 0 2 394.471 3.281 20 0 GGADLN COC(=O)[C@@H](c1cccc(C(=O)[O-])c1)[NH+]1CCC(OCc2ccccc2)CC1 ZINC000833700355 604471492 /nfs/dbraw/zinc/47/14/92/604471492.db2.gz CEQRUZYRWXWCGE-HXUWFJFHSA-N 0 2 383.444 3.280 20 0 GGADLN COC(=O)[C@H](c1cccc(C(=O)[O-])c1)[NH+]1CCC(O)(c2cccc(C)c2C)CC1 ZINC000833701666 604479815 /nfs/dbraw/zinc/47/98/15/604479815.db2.gz MDNLBWOQEXLTQT-FQEVSTJZSA-N 0 2 397.471 3.199 20 0 GGADLN COC(=O)[C@H](c1cccc(C(=O)[O-])c1)[NH+]1CCC(Nc2cccc(C)c2)CC1 ZINC000833702060 604482542 /nfs/dbraw/zinc/48/25/42/604482542.db2.gz QBHMNMJRSVBRQA-FQEVSTJZSA-N 0 2 382.460 3.484 20 0 GGADLN COC(=O)[C@@H](c1cccc(C(=O)[O-])c1)[NH+]1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000833702465 604483148 /nfs/dbraw/zinc/48/31/48/604483148.db2.gz UUIZWMPCKPKFJG-LJQANCHMSA-N 0 2 393.443 3.355 20 0 GGADLN Cc1cccc([C@@H]2CCC[N@@H+]2CC(=O)Nc2sc3c(c2C(=O)[O-])CCC3)n1 ZINC000832967555 604497347 /nfs/dbraw/zinc/49/73/47/604497347.db2.gz HUDTZEFQQILXBJ-HNNXBMFYSA-N 0 2 385.489 3.414 20 0 GGADLN Cc1cccc([C@@H]2CCC[N@H+]2CC(=O)Nc2sc3c(c2C(=O)[O-])CCC3)n1 ZINC000832967555 604497351 /nfs/dbraw/zinc/49/73/51/604497351.db2.gz HUDTZEFQQILXBJ-HNNXBMFYSA-N 0 2 385.489 3.414 20 0 GGADLN CC(C)c1cnc(C[N@H+](C)[C@@H]2CCN(C(=O)Nc3cc(C(=O)[O-])cs3)C2)o1 ZINC000827140082 604501847 /nfs/dbraw/zinc/50/18/47/604501847.db2.gz XXDXNLFGZLZXCX-CYBMUJFWSA-N 0 2 392.481 3.296 20 0 GGADLN CC(C)c1cnc(C[N@@H+](C)[C@@H]2CCN(C(=O)Nc3cc(C(=O)[O-])cs3)C2)o1 ZINC000827140082 604501851 /nfs/dbraw/zinc/50/18/51/604501851.db2.gz XXDXNLFGZLZXCX-CYBMUJFWSA-N 0 2 392.481 3.296 20 0 GGADLN Cc1cccn2cc(CCNC(=O)N[C@H](c3ccccc3)C(C)(C)C(=O)[O-])[nH+]c12 ZINC000832981923 604508379 /nfs/dbraw/zinc/50/83/79/604508379.db2.gz NXGILJPDUGFGAM-GOSISDBHSA-N 0 2 394.475 3.337 20 0 GGADLN C[N@@H+]1CC[C@@H](NC(=O)c2cccc(C(=O)[O-])c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000263456847 604513663 /nfs/dbraw/zinc/51/36/63/604513663.db2.gz USXSKYNKKKLTSF-SJORKVTESA-N 0 2 376.815 3.353 20 0 GGADLN C[N@H+]1CC[C@@H](NC(=O)c2cccc(C(=O)[O-])c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000263456847 604513664 /nfs/dbraw/zinc/51/36/64/604513664.db2.gz USXSKYNKKKLTSF-SJORKVTESA-N 0 2 376.815 3.353 20 0 GGADLN O=C([O-])C[C@@H]1CCCN1C(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000833211394 604515279 /nfs/dbraw/zinc/51/52/79/604515279.db2.gz RRSZALQZAPYAMI-HOTGVXAUSA-N 0 2 397.878 3.092 20 0 GGADLN O=C([O-])C[C@@H]1CCCN1C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000833211394 604515281 /nfs/dbraw/zinc/51/52/81/604515281.db2.gz RRSZALQZAPYAMI-HOTGVXAUSA-N 0 2 397.878 3.092 20 0 GGADLN O=C([O-])c1cc(C[NH+]2CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)c[nH]1 ZINC000833779535 604520478 /nfs/dbraw/zinc/52/04/78/604520478.db2.gz MSHISOTUGZMCGH-UHFFFAOYSA-N 0 2 388.777 3.102 20 0 GGADLN C[N@@H+]1CC[C@H](NC(=O)c2ccc(C(=O)[O-])cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000263418379 604528082 /nfs/dbraw/zinc/52/80/82/604528082.db2.gz KMSYJFYAIGYWAW-DLBZAZTESA-N 0 2 376.815 3.353 20 0 GGADLN C[N@H+]1CC[C@H](NC(=O)c2ccc(C(=O)[O-])cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000263418379 604528084 /nfs/dbraw/zinc/52/80/84/604528084.db2.gz KMSYJFYAIGYWAW-DLBZAZTESA-N 0 2 376.815 3.353 20 0 GGADLN C[N@@H+]1CC[C@@H](NC(=O)c2ccc(C(=O)[O-])cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000263418380 604528225 /nfs/dbraw/zinc/52/82/25/604528225.db2.gz KMSYJFYAIGYWAW-IAGOWNOFSA-N 0 2 376.815 3.353 20 0 GGADLN C[N@H+]1CC[C@@H](NC(=O)c2ccc(C(=O)[O-])cc2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000263418380 604528228 /nfs/dbraw/zinc/52/82/28/604528228.db2.gz KMSYJFYAIGYWAW-IAGOWNOFSA-N 0 2 376.815 3.353 20 0 GGADLN CC(C)C[C@H](NC(=O)[O-])C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000833478402 604529437 /nfs/dbraw/zinc/52/94/37/604529437.db2.gz DZCSOYRTTOIRBF-PMPSAXMXSA-N 0 2 385.867 3.023 20 0 GGADLN CC(C)C[C@H](NC(=O)[O-])C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000833478402 604529440 /nfs/dbraw/zinc/52/94/40/604529440.db2.gz DZCSOYRTTOIRBF-PMPSAXMXSA-N 0 2 385.867 3.023 20 0 GGADLN CCc1ccc(C(=O)N2CC[NH+](Cc3ccc(O[C@@H](C)C(=O)[O-])cc3)CC2)cc1 ZINC000833670355 604535693 /nfs/dbraw/zinc/53/56/93/604535693.db2.gz UTMORMROXPDNGL-KRWDZBQOSA-N 0 2 396.487 3.059 20 0 GGADLN Cc1[nH+]c(N2CCOCC2)ccc1NC(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1 ZINC000833001716 604539617 /nfs/dbraw/zinc/53/96/17/604539617.db2.gz RZFFCXWIFRKCOL-UHFFFAOYSA-N 0 2 398.463 3.233 20 0 GGADLN O=C([O-])C[C@@H](NC(=O)c1cccc2[nH+]ccn21)c1ccc(Br)cc1 ZINC000833200521 604593254 /nfs/dbraw/zinc/59/32/54/604593254.db2.gz RXNSRPHWUSEDQA-CYBMUJFWSA-N 0 2 388.221 3.043 20 0 GGADLN C[C@@H](C(=O)[O-])[C@H]([NH2+]Cc1nnc(C(=O)Nc2ccccc2)s1)c1ccccc1 ZINC000833407795 604617491 /nfs/dbraw/zinc/61/74/91/604617491.db2.gz PUILVDOTGHGEEW-DYVFJYSZSA-N 0 2 396.472 3.342 20 0 GGADLN CC[C@@H](c1ccccc1)[N@H+](CC(=O)[O-])CC(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000829025427 604649590 /nfs/dbraw/zinc/64/95/90/604649590.db2.gz CREZWIUVXOJKMP-HOTGVXAUSA-N 0 2 386.414 3.325 20 0 GGADLN CC[C@@H](c1ccccc1)[N@@H+](CC(=O)[O-])CC(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000829025427 604649591 /nfs/dbraw/zinc/64/95/91/604649591.db2.gz CREZWIUVXOJKMP-HOTGVXAUSA-N 0 2 386.414 3.325 20 0 GGADLN CC[C@@H](c1ccccc1)[N@H+](CC(=O)[O-])CC(=O)Nc1ccc(NC(C)=O)cc1 ZINC000829028752 604653011 /nfs/dbraw/zinc/65/30/11/604653011.db2.gz YHNYQOBGJAVTNQ-IBGZPJMESA-N 0 2 383.448 3.121 20 0 GGADLN CC[C@@H](c1ccccc1)[N@@H+](CC(=O)[O-])CC(=O)Nc1ccc(NC(C)=O)cc1 ZINC000829028752 604653017 /nfs/dbraw/zinc/65/30/17/604653017.db2.gz YHNYQOBGJAVTNQ-IBGZPJMESA-N 0 2 383.448 3.121 20 0 GGADLN CSC[C@H]1CCC[N@@H+]1CC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)[O-] ZINC000832758499 604678519 /nfs/dbraw/zinc/67/85/19/604678519.db2.gz HWWHOUSGRZIVSL-SNVBAGLBSA-N 0 2 377.293 3.458 20 0 GGADLN CSC[C@H]1CCC[N@H+]1CC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)[O-] ZINC000832758499 604678521 /nfs/dbraw/zinc/67/85/21/604678521.db2.gz HWWHOUSGRZIVSL-SNVBAGLBSA-N 0 2 377.293 3.458 20 0 GGADLN CSC[C@@H]1CCC[N@@H+]1CC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)[O-] ZINC000832758498 604678572 /nfs/dbraw/zinc/67/85/72/604678572.db2.gz HWWHOUSGRZIVSL-JTQLQIEISA-N 0 2 377.293 3.458 20 0 GGADLN CSC[C@@H]1CCC[N@H+]1CC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)[O-] ZINC000832758498 604678577 /nfs/dbraw/zinc/67/85/77/604678577.db2.gz HWWHOUSGRZIVSL-JTQLQIEISA-N 0 2 377.293 3.458 20 0 GGADLN O=C([O-])C[C@@H]1CCCN1C(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000833207248 604751928 /nfs/dbraw/zinc/75/19/28/604751928.db2.gz KXCMTUZNBWVCDG-RDJZCZTQSA-N 0 2 395.297 3.052 20 0 GGADLN O=C([O-])C[C@H]1CCCN1C(=O)[C@@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000833207246 604752043 /nfs/dbraw/zinc/75/20/43/604752043.db2.gz KXCMTUZNBWVCDG-NVXWUHKLSA-N 0 2 395.297 3.052 20 0 GGADLN Cc1cc2c(c(C)c1)C(=O)C(=O)N2C[N@H+](CCCC(=O)[O-])Cc1ccccc1 ZINC000832874236 604764092 /nfs/dbraw/zinc/76/40/92/604764092.db2.gz IYKRAAOPNLZASH-UHFFFAOYSA-N 0 2 380.444 3.157 20 0 GGADLN Cc1cc2c(c(C)c1)C(=O)C(=O)N2C[N@@H+](CCCC(=O)[O-])Cc1ccccc1 ZINC000832874236 604764094 /nfs/dbraw/zinc/76/40/94/604764094.db2.gz IYKRAAOPNLZASH-UHFFFAOYSA-N 0 2 380.444 3.157 20 0 GGADLN Cn1c(-c2ccccn2)nn(C[N@H+](CCCC(=O)[O-])Cc2ccccc2)c1=S ZINC000833037482 604764271 /nfs/dbraw/zinc/76/42/71/604764271.db2.gz AJCZVLIIPLIBIW-UHFFFAOYSA-N 0 2 397.504 3.338 20 0 GGADLN Cn1c(-c2ccccn2)nn(C[N@@H+](CCCC(=O)[O-])Cc2ccccc2)c1=S ZINC000833037482 604764275 /nfs/dbraw/zinc/76/42/75/604764275.db2.gz AJCZVLIIPLIBIW-UHFFFAOYSA-N 0 2 397.504 3.338 20 0 GGADLN CC(C)OC[C@H](C(=O)[O-])[N@H+](C)Cc1cccc2c1N(C(=O)OC(C)(C)C)CC2 ZINC000833504302 604767317 /nfs/dbraw/zinc/76/73/17/604767317.db2.gz BPEXLFKLIYRYLJ-QGZVFWFLSA-N 0 2 392.496 3.294 20 0 GGADLN CC(C)OC[C@H](C(=O)[O-])[N@@H+](C)Cc1cccc2c1N(C(=O)OC(C)(C)C)CC2 ZINC000833504302 604767320 /nfs/dbraw/zinc/76/73/20/604767320.db2.gz BPEXLFKLIYRYLJ-QGZVFWFLSA-N 0 2 392.496 3.294 20 0 GGADLN C[C@H](Oc1ccc(C[N@@H+]2C[C@H](O)C[C@@H]2c2cc(F)ccc2F)cc1)C(=O)[O-] ZINC000833537560 604773162 /nfs/dbraw/zinc/77/31/62/604773162.db2.gz LMLAQBMFXVBMDS-IOHHAYIISA-N 0 2 377.387 3.125 20 0 GGADLN C[C@H](Oc1ccc(C[N@H+]2C[C@H](O)C[C@@H]2c2cc(F)ccc2F)cc1)C(=O)[O-] ZINC000833537560 604773165 /nfs/dbraw/zinc/77/31/65/604773165.db2.gz LMLAQBMFXVBMDS-IOHHAYIISA-N 0 2 377.387 3.125 20 0 GGADLN O=C([O-])[C@@H]([NH2+][C@H]1CCCN(CC(F)(F)F)C1=O)c1cc(Cl)cc(Cl)c1 ZINC000833168674 604777218 /nfs/dbraw/zinc/77/72/18/604777218.db2.gz ZBWDABOMNHSSOQ-RYUDHWBXSA-N 0 2 399.196 3.262 20 0 GGADLN O=C([O-])[C@@H]([NH2+][C@@H]1CCCN(CC(F)(F)F)C1=O)c1cc(Cl)cc(Cl)c1 ZINC000833168670 604777345 /nfs/dbraw/zinc/77/73/45/604777345.db2.gz ZBWDABOMNHSSOQ-NEPJUHHUSA-N 0 2 399.196 3.262 20 0 GGADLN CCOc1ccc(-c2nc(CO[NH+]=C(N)c3cccc(C(=O)[O-])c3)co2)cc1 ZINC000830054254 604794624 /nfs/dbraw/zinc/79/46/24/604794624.db2.gz WXTDIZAJRNSZED-UHFFFAOYSA-N 0 2 381.388 3.485 20 0 GGADLN C[C@H](OCCCNC(=O)C[N@@H+]1CCc2ccc(C(=O)[O-])cc2C1)c1ccccc1 ZINC000833535421 604848026 /nfs/dbraw/zinc/84/80/26/604848026.db2.gz IOPBDTOJDVIYDM-KRWDZBQOSA-N 0 2 396.487 3.027 20 0 GGADLN C[C@H](OCCCNC(=O)C[N@H+]1CCc2ccc(C(=O)[O-])cc2C1)c1ccccc1 ZINC000833535421 604848028 /nfs/dbraw/zinc/84/80/28/604848028.db2.gz IOPBDTOJDVIYDM-KRWDZBQOSA-N 0 2 396.487 3.027 20 0 GGADLN CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)C1 ZINC000833418594 604876647 /nfs/dbraw/zinc/87/66/47/604876647.db2.gz RXCKVBIGZLTHNG-AWEZNQCLSA-N 0 2 394.541 3.484 20 0 GGADLN C[C@H](c1cccc(F)c1)[NH+]1CCN(C(=O)CCc2ccccc2C(=O)[O-])CC1 ZINC000833547150 604883023 /nfs/dbraw/zinc/88/30/23/604883023.db2.gz AWLLEGHMCIQQON-MRXNPFEDSA-N 0 2 384.451 3.362 20 0 GGADLN C[C@@H](C(=O)N(c1nccs1)C1CCCCC1)[N@@H+]1CCSC[C@H]1CC(=O)[O-] ZINC000833402799 604917724 /nfs/dbraw/zinc/91/77/24/604917724.db2.gz WUNNBQMGEADSFZ-DZGCQCFKSA-N 0 2 397.566 3.089 20 0 GGADLN C[C@@H](C(=O)N(c1nccs1)C1CCCCC1)[N@H+]1CCSC[C@H]1CC(=O)[O-] ZINC000833402799 604917726 /nfs/dbraw/zinc/91/77/26/604917726.db2.gz WUNNBQMGEADSFZ-DZGCQCFKSA-N 0 2 397.566 3.089 20 0 GGADLN CC1CC[NH+](Cc2csc(NC(=O)c3ccc(C(=O)[O-])c(F)c3)n2)CC1 ZINC000828295280 604923777 /nfs/dbraw/zinc/92/37/77/604923777.db2.gz CTDLMJZHTMEEOZ-UHFFFAOYSA-N 0 2 377.441 3.465 20 0 GGADLN O=C([O-])CCCN(Cc1ccccc1)C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000833226942 604938385 /nfs/dbraw/zinc/93/83/85/604938385.db2.gz 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Cc1cc(S(N)(=O)=O)cc(C(=O)Nc2cc(Cl)c(O)c(Cl)c2)c1C ZINC000180727978 1430003006 /nfs/dbraw/zinc/00/30/06/1430003006.db2.gz RELIBZYXCKPABQ-UHFFFAOYSA-N 0 2 389.260 3.216 20 0 GGADLN COc1ccc(N2CC(=O)C(C(=O)NC[C@@H]3CCCO[C@@H]3C(C)(C)C)=N2)cc1 ZINC000180794589 1430043635 /nfs/dbraw/zinc/04/36/35/1430043635.db2.gz YUUUMCGDLIODIP-LIRRHRJNSA-N 0 2 387.480 3.158 20 0 GGADLN CC[C@@](C)(NC(=O)C1=NN(c2ccc(OC)cc2)CC1=O)c1nc(C)cs1 ZINC000180811928 1430053601 /nfs/dbraw/zinc/05/36/01/1430053601.db2.gz HDOXTEZOSOJDQN-LJQANCHMSA-N 0 2 386.477 3.407 20 0 GGADLN CC[C@](C)(NC(=O)C1=NN(c2ccc(OC)cc2)CC1=O)c1nc(C)cs1 ZINC000180811909 1430053627 /nfs/dbraw/zinc/05/36/27/1430053627.db2.gz HDOXTEZOSOJDQN-IBGZPJMESA-N 0 2 386.477 3.407 20 0 GGADLN COc1ccc(N2CC(=O)C(C(=O)N[C@@H](c3nc(C)cs3)C3CC3)=N2)cc1 ZINC000180814417 1430055112 /nfs/dbraw/zinc/05/51/12/1430055112.db2.gz SWTDDJPWMSSICG-MRXNPFEDSA-N 0 2 384.461 3.233 20 0 GGADLN CCS[C@H]1CC[C@@H](N(C)C(=O)C2=NN(c3ccc(OC)cc3)CC2=O)C1 ZINC000180827839 1430060498 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GGADLN O=C(Nn1cnc2ccccc2c1=O)c1csc(-c2ccc(F)c(F)c2)n1 ZINC000182524373 1430483020 /nfs/dbraw/zinc/48/30/20/1430483020.db2.gz FQICIFLXOGTLGM-UHFFFAOYSA-N 0 2 384.367 3.182 20 0 GGADLN Cc1cnn(-c2ccccc2)c1NS(=O)(=O)c1c(C)nn(CC(C)C)c1C ZINC000182536259 1430485887 /nfs/dbraw/zinc/48/58/87/1430485887.db2.gz HNVNWVOFMUUQCH-UHFFFAOYSA-N 0 2 387.509 3.451 20 0 GGADLN Cc1nn(CC(C)C)c(C)c1S(=O)(=O)Nc1ncn(C2CCCCC2)n1 ZINC000182568820 1430494484 /nfs/dbraw/zinc/49/44/84/1430494484.db2.gz VYVGLQXLLSMYGI-UHFFFAOYSA-N 0 2 380.518 3.053 20 0 GGADLN O=C(N[C@H]1CCO[C@@H]1c1ccc(F)c(F)c1)C1=NN(c2ccccc2)CC1=O ZINC000182727329 1430528034 /nfs/dbraw/zinc/52/80/34/1430528034.db2.gz NMJZNTUQDXAIII-QFBILLFUSA-N 0 2 385.370 3.116 20 0 GGADLN CC(=O)N1CCCc2ccc(S(=O)(=O)Nc3ccc(C(F)(F)F)cn3)cc21 ZINC000182746854 1430532532 /nfs/dbraw/zinc/53/25/32/1430532532.db2.gz QNMOYXYXWLRRFS-UHFFFAOYSA-N 0 2 399.394 3.200 20 0 GGADLN CCc1nnc(NC(=O)NNC(=O)c2sc3ccccc3c2Cl)s1 ZINC000182841838 1430551749 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O=c1cc(C[N@@H+]2CCCN(CC(F)(F)F)CC2)c2cc(Cl)c([O-])cc2o1 ZINC000281129817 1435780706 /nfs/dbraw/zinc/78/07/06/1435780706.db2.gz YDXIVMSTDBYATQ-UHFFFAOYSA-N 0 2 390.789 3.222 20 0 GGADLN O=c1cc(C[N@H+]2CCCN(CC(F)(F)F)CC2)c2cc(Cl)c([O-])cc2o1 ZINC000281129817 1435780713 /nfs/dbraw/zinc/78/07/13/1435780713.db2.gz YDXIVMSTDBYATQ-UHFFFAOYSA-N 0 2 390.789 3.222 20 0 GGADLN CC(C)(C)OC(=O)NCC[C@H]1CCCN(C(=O)c2cc(F)c(O)c(F)c2)C1 ZINC000281700932 1435818728 /nfs/dbraw/zinc/81/87/28/1435818728.db2.gz FGQCJWHFHJYIBE-GFCCVEGCSA-N 0 2 384.423 3.437 20 0 GGADLN CC(C)(C)OC(=O)NCC[C@@H]1CCCN(C(=O)c2cc(F)c(O)c(F)c2)C1 ZINC000281700934 1435818777 /nfs/dbraw/zinc/81/87/77/1435818777.db2.gz FGQCJWHFHJYIBE-LBPRGKRZSA-N 0 2 384.423 3.437 20 0 GGADLN CCN(CC)C(=O)c1ccc(NS(=O)(=O)c2cncc(OC)c2)cc1Cl ZINC000281875989 1435825114 /nfs/dbraw/zinc/82/51/14/1435825114.db2.gz COOHPJIGFNJXRL-UHFFFAOYSA-N 0 2 397.884 3.026 20 0 GGADLN Cc1ccc(N2CCOCC2)cc1NS(=O)(=O)c1ccc(F)c(F)c1F ZINC000281916837 1435826856 /nfs/dbraw/zinc/82/68/56/1435826856.db2.gz GTOGGCOPXCOTFU-UHFFFAOYSA-N 0 2 386.395 3.050 20 0 GGADLN C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCN2C(=O)C2=NN(c3ccc(F)cc3)CC2=O)C1 ZINC000282289542 1435841790 /nfs/dbraw/zinc/84/17/90/1435841790.db2.gz XEFDIFUOWUNKSD-PILAGYSTSA-N 0 2 387.455 3.119 20 0 GGADLN CC(C)c1noc(Cc2ccc(NC(=O)C(C)(C)NC(=O)C(F)(F)F)cc2)n1 ZINC000282966792 1435868086 /nfs/dbraw/zinc/86/80/86/1435868086.db2.gz ANLQDLULGIVBIK-UHFFFAOYSA-N 0 2 398.385 3.179 20 0 GGADLN CC(C)Cn1c(-c2ccccn2)nnc1N(C)Cc1nc(=O)c2sccc2[nH]1 ZINC000283198921 1435878970 /nfs/dbraw/zinc/87/89/70/1435878970.db2.gz BCSDQVGTXXKTPK-UHFFFAOYSA-N 0 2 395.492 3.343 20 0 GGADLN CC(C)[C@@H](NC(=O)OC(C)(C)C)c1noc(C(C)(C)NC(=O)C(F)(F)F)n1 ZINC000283779863 1435922329 /nfs/dbraw/zinc/92/23/29/1435922329.db2.gz FCKVGNRYYIJWRN-SECBINFHSA-N 0 2 394.394 3.205 20 0 GGADLN Cc1coc(-c2cc(NS(=O)(=O)c3cnn(CC(F)F)c3)ccc2C)n1 ZINC000283783864 1435922561 /nfs/dbraw/zinc/92/25/61/1435922561.db2.gz DHRXGHDJSSRFCH-UHFFFAOYSA-N 0 2 382.392 3.221 20 0 GGADLN CC(C)c1noc(-c2ccc(NS(=O)(=O)c3cnn(CC(F)F)c3)cc2)n1 ZINC000283803635 1435926489 /nfs/dbraw/zinc/92/64/89/1435926489.db2.gz HKQSGOGCXXDXIL-UHFFFAOYSA-N 0 2 397.407 3.122 20 0 GGADLN CCCC[N@@H+]1Cc2cccc([N-]S(=O)(=O)c3cnc(NC(C)=O)s3)c2C1 ZINC000283880145 1435943081 /nfs/dbraw/zinc/94/30/81/1435943081.db2.gz BXWLZEKKTRWIAN-UHFFFAOYSA-N 0 2 394.522 3.018 20 0 GGADLN CCCC[N@H+]1Cc2cccc([N-]S(=O)(=O)c3cnc(NC(C)=O)s3)c2C1 ZINC000283880145 1435943094 /nfs/dbraw/zinc/94/30/94/1435943094.db2.gz BXWLZEKKTRWIAN-UHFFFAOYSA-N 0 2 394.522 3.018 20 0 GGADLN CC(C)(C)Oc1c(F)cc(NS(=O)(=O)c2cnn(CC(F)F)c2)cc1F ZINC000283917450 1435952402 /nfs/dbraw/zinc/95/24/02/1435952402.db2.gz POAUOXWKMVSRNG-UHFFFAOYSA-N 0 2 395.378 3.405 20 0 GGADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)NC[C@H]1CCCC(F)(F)C1 ZINC000283930436 1435955385 /nfs/dbraw/zinc/95/53/85/1435955385.db2.gz VSVCWYJEPUJISU-ZDUSSCGKSA-N 0 2 379.411 3.008 20 0 GGADLN CCn1c(Cc2ccc(F)cc2)nnc1N(C)Cc1nc(=O)c2sccc2[nH]1 ZINC000284278420 1436009214 /nfs/dbraw/zinc/00/92/14/1436009214.db2.gz FHBBNFOYJZGMTO-UHFFFAOYSA-N 0 2 398.467 3.375 20 0 GGADLN CCC[C@H](NC(=O)C(=O)N(C)Cc1nc(=O)c2sccc2[nH]1)c1ccccc1 ZINC000284308495 1436012048 /nfs/dbraw/zinc/01/20/48/1436012048.db2.gz UUGKRZZOZCMNCH-AWEZNQCLSA-N 0 2 398.488 3.013 20 0 GGADLN FC(F)(F)c1ccc(N2CC[C@@H](CNc3cccc[nH+]3)C2)cc1-c1nnn[n-]1 ZINC000826368376 1441461908 /nfs/dbraw/zinc/46/19/08/1441461908.db2.gz NADJWPLMFYJUAR-LBPRGKRZSA-N 0 2 389.385 3.219 20 0 GGADLN Cc1sc(NC(=O)C[NH2+][C@@H](C)c2c(F)cccc2F)c(-c2nnn[n-]2)c1C ZINC000826349664 1441812909 /nfs/dbraw/zinc/81/29/09/1441812909.db2.gz PHWRMTCKVZECMX-VIFPVBQESA-N 0 2 392.435 3.113 20 0 GGADLN Fc1cccc(NCCCNc2ccc(C(F)(F)F)c[nH+]2)c1-c1nnn[n-]1 ZINC000737664899 1441890482 /nfs/dbraw/zinc/89/04/82/1441890482.db2.gz PXQVRSRFEGUBJP-UHFFFAOYSA-N 0 2 381.337 3.334 20 0 GGADLN Cc1noc(C)c1C[NH+](Cc1c(C)noc1C)Cc1ccccc1-c1nnn[n-]1 ZINC000737535905 1441921024 /nfs/dbraw/zinc/92/10/24/1441921024.db2.gz DXSAUFWOTAHYHT-UHFFFAOYSA-N 0 2 393.451 3.279 20 0 GGADLN C[C@@H]([NH2+]Cc1ccc(-c2nnn[n-]2)cc1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000820428506 1441927626 /nfs/dbraw/zinc/92/76/26/1441927626.db2.gz XQSLMHRPFMXEGJ-LLVKDONJSA-N 0 2 381.827 3.421 20 0 GGADLN COC(=O)[C@H](c1cccc(-c2nnn[n-]2)c1)[NH+]1CCC(c2ccc(F)cc2)CC1 ZINC000821651751 1441981017 /nfs/dbraw/zinc/98/10/17/1441981017.db2.gz FWCNOMBTAURYTP-IBGZPJMESA-N 0 2 395.438 3.100 20 0 GGADLN CC(C)c1[nH+]c2c(n1C)CCN(c1ccc(-c3nnn[n-]3)c(C(F)(F)F)c1)C2 ZINC000735943539 1442003283 /nfs/dbraw/zinc/00/32/83/1442003283.db2.gz UEFDLSQQPQKWLD-UHFFFAOYSA-N 0 2 391.401 3.305 20 0 GGADLN CCN1CC[NH+](Cc2ccc(N[C@@H](C)c3ccc(-c4nnn[n-]4)cc3)cc2)CC1 ZINC000825459841 1442173722 /nfs/dbraw/zinc/17/37/22/1442173722.db2.gz ORYJXNLTTNKSTJ-KRWDZBQOSA-N 0 2 391.523 3.177 20 0 GGADLN Cn1ccnc1[C@H]([NH2+]Cc1ccc(-c2nnn[n-]2)s1)c1ccc(Cl)cc1 ZINC000822693910 1442174455 /nfs/dbraw/zinc/17/44/55/1442174455.db2.gz NYSLFAUBBJFACK-OAHLLOKOSA-N 0 2 385.884 3.194 20 0 GGADLN Cc1c([C@@H](C)[NH2+]C2(c3cccc(-c4nnn[n-]4)c3)CC2)nnn1-c1ccccc1 ZINC000826236138 1442183362 /nfs/dbraw/zinc/18/33/62/1442183362.db2.gz ZLRANPCHUJFWHB-CQSZACIVSA-N 0 2 386.463 3.096 20 0 GGADLN C[C@H](c1ccc(F)cc1F)[NH+]1CCN(c2ccc(F)cc2-c2nnn[n-]2)CC1 ZINC000820562753 1442250523 /nfs/dbraw/zinc/25/05/23/1442250523.db2.gz IQQWXELUIJFUNB-GFCCVEGCSA-N 0 2 388.397 3.167 20 0 GGADLN CCCCC[C@@H](CC)C(=O)N1CC[NH+](Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000825268787 1443269843 /nfs/dbraw/zinc/26/98/43/1443269843.db2.gz YJOLLPPYQDQIQB-GOSISDBHSA-N 0 2 384.528 3.117 20 0 GGADLN CCC[N@H+](Cc1ccc(-c2nnn[n-]2)o1)Cc1nc(=O)c2ccc(Cl)cc2[nH]1 ZINC000825323080 1443300318 /nfs/dbraw/zinc/30/03/18/1443300318.db2.gz NXTGGLRRTDKFLT-UHFFFAOYSA-N 0 2 399.842 3.174 20 0 GGADLN CCC[N@@H+](Cc1ccc(-c2nnn[n-]2)o1)Cc1nc(=O)c2ccc(Cl)cc2[nH]1 ZINC000825323080 1443300322 /nfs/dbraw/zinc/30/03/22/1443300322.db2.gz NXTGGLRRTDKFLT-UHFFFAOYSA-N 0 2 399.842 3.174 20 0 GGADLN CC(C)[N@@H+](Cc1ccc(-c2nnn[n-]2)cc1)Cn1c(=O)sc2c1CC[C@H](C)C2 ZINC000736282001 1443317882 /nfs/dbraw/zinc/31/78/82/1443317882.db2.gz ZKUMECUSCDQNQZ-AWEZNQCLSA-N 0 2 398.536 3.083 20 0 GGADLN CC(C)[N@H+](Cc1ccc(-c2nnn[n-]2)cc1)Cn1c(=O)sc2c1CC[C@H](C)C2 ZINC000736282001 1443317883 /nfs/dbraw/zinc/31/78/83/1443317883.db2.gz ZKUMECUSCDQNQZ-AWEZNQCLSA-N 0 2 398.536 3.083 20 0 GGADLN CCCCc1noc([C@@H](C)[NH+]2CCC(Oc3cccc(-c4nnn[n-]4)c3)CC2)n1 ZINC000736465157 1443357810 /nfs/dbraw/zinc/35/78/10/1443357810.db2.gz BIYGFZZKKMHYGC-CQSZACIVSA-N 0 2 397.483 3.197 20 0 GGADLN CCc1ccc(C2=CC[N@H+](CC(=O)Nc3sccc3-c3nnn[n-]3)CC2)cc1 ZINC000825704660 1443480669 /nfs/dbraw/zinc/48/06/69/1443480669.db2.gz MKIUSNWYWSGNNK-UHFFFAOYSA-N 0 2 394.504 3.218 20 0 GGADLN CCc1ccc(C2=CC[N@@H+](CC(=O)Nc3sccc3-c3nnn[n-]3)CC2)cc1 ZINC000825704660 1443480670 /nfs/dbraw/zinc/48/06/70/1443480670.db2.gz MKIUSNWYWSGNNK-UHFFFAOYSA-N 0 2 394.504 3.218 20 0 GGADLN CCc1ccc([C@H](C)[NH2+]Cc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)cc1 ZINC000821480321 1443501025 /nfs/dbraw/zinc/50/10/25/1443501025.db2.gz BFECUAKHTWTDOM-ZDUSSCGKSA-N 0 2 375.436 3.330 20 0 GGADLN Cc1ccc(-c2nnn[n-]2)c(NC[C@H]2CCN(c3cc(Cl)ccc3C)C2)[nH+]1 ZINC000826276257 1443541754 /nfs/dbraw/zinc/54/17/54/1443541754.db2.gz YWLGJMYMTCKLAJ-CQSZACIVSA-N 0 2 383.887 3.470 20 0 GGADLN Cc1nn(-c2ccccc2)c(C[N@@H+]2CCc3cccc(F)c3C2)c1-c1nnn[n-]1 ZINC000826332341 1443583887 /nfs/dbraw/zinc/58/38/87/1443583887.db2.gz QXHKBHSWQCURNU-UHFFFAOYSA-N 0 2 389.438 3.058 20 0 GGADLN Cc1nn(-c2ccccc2)c(C[N@H+]2CCc3cccc(F)c3C2)c1-c1nnn[n-]1 ZINC000826332341 1443583889 /nfs/dbraw/zinc/58/38/89/1443583889.db2.gz QXHKBHSWQCURNU-UHFFFAOYSA-N 0 2 389.438 3.058 20 0 GGADLN Cc1oc(NC(=O)[C@H](C)[NH2+][C@H](C)c2c(F)cccc2F)c(-c2nnn[n-]2)c1C ZINC000826341304 1443769216 /nfs/dbraw/zinc/76/92/16/1443769216.db2.gz CNKZJCCHBRLMOG-ZJUUUORDSA-N 0 2 390.394 3.033 20 0 GGADLN Cc1ccc(CNc2ccc3cc(-c4nnn[n-]4)ccc3n2)c(N2CCCC2)[nH+]1 ZINC000826288328 1443787714 /nfs/dbraw/zinc/78/77/14/1443787714.db2.gz BLFBSWRGEQVNKP-UHFFFAOYSA-N 0 2 386.463 3.331 20 0 GGADLN C[C@@H]([NH2+]Cc1cn(-c2ccc(F)cc2Cl)nn1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824627146 1443841609 /nfs/dbraw/zinc/84/16/09/1443841609.db2.gz VFSPCYUVCWNUSQ-LLVKDONJSA-N 0 2 398.833 3.091 20 0 GGADLN CCC(CC)n1ccc(C[NH+]2CCC(Oc3cccc(-c4nnn[n-]4)c3)CC2)n1 ZINC000825114624 1443846269 /nfs/dbraw/zinc/84/62/69/1443846269.db2.gz OXELFRPMNAYSOT-UHFFFAOYSA-N 0 2 395.511 3.468 20 0 GGADLN Cc1cc(N2CCC(c3c[nH]c[nH+]3)CC2)n2c3ccccc3nc2c1-c1nnn[n-]1 ZINC000822207377 1443970128 /nfs/dbraw/zinc/97/01/28/1443970128.db2.gz UJEJYZGPLSHUDU-UHFFFAOYSA-N 0 2 399.462 3.083 20 0 GGADLN Cc1cc([C@@H](C)[NH2+]Cc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)c(C)s1 ZINC000826262233 1444008176 /nfs/dbraw/zinc/00/81/76/1444008176.db2.gz IOAWAQXRGFLSKG-LLVKDONJSA-N 0 2 381.465 3.446 20 0 GGADLN C[C@@H](C(=O)Nc1cccc(F)c1)[N@H+]1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000824045000 1446204540 /nfs/dbraw/zinc/20/45/40/1446204540.db2.gz CQIUZOJPVMCRHO-AWEZNQCLSA-N 0 2 392.438 3.122 20 0 GGADLN C[C@@H](C(=O)Nc1cccc(F)c1)[N@@H+]1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000824045000 1446204542 /nfs/dbraw/zinc/20/45/42/1446204542.db2.gz CQIUZOJPVMCRHO-AWEZNQCLSA-N 0 2 392.438 3.122 20 0 GGADLN C[C@@H](C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)[N@H+](C)Cc1ccsc1 ZINC000735550810 1446208295 /nfs/dbraw/zinc/20/82/95/1446208295.db2.gz LSBGQROZIPOVMS-JTQLQIEISA-N 0 2 376.873 3.041 20 0 GGADLN C[C@@H](C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)[N@@H+](C)Cc1ccsc1 ZINC000735550810 1446208299 /nfs/dbraw/zinc/20/82/99/1446208299.db2.gz LSBGQROZIPOVMS-JTQLQIEISA-N 0 2 376.873 3.041 20 0 GGADLN Fc1ccc2c(c1)CC[N@@H+](Cc1ccc(-c3nnn[n-]3)cc1Br)C2 ZINC000826375820 1446231579 /nfs/dbraw/zinc/23/15/79/1446231579.db2.gz CVMKQMVMDIAAKU-UHFFFAOYSA-N 0 2 388.244 3.327 20 0 GGADLN Fc1ccc2c(c1)CC[N@H+](Cc1ccc(-c3nnn[n-]3)cc1Br)C2 ZINC000826375820 1446231581 /nfs/dbraw/zinc/23/15/81/1446231581.db2.gz CVMKQMVMDIAAKU-UHFFFAOYSA-N 0 2 388.244 3.327 20 0 GGADLN CC(C)(C)c1cn2c([nH+]1)CC[C@H](Nc1cc(-c3nnn[n-]3)nc3ccccc31)C2 ZINC000819958566 1446248279 /nfs/dbraw/zinc/24/82/79/1446248279.db2.gz OUQJJXDCXKBVSK-ZDUSSCGKSA-N 0 2 388.479 3.336 20 0 GGADLN COCCN(c1[nH+]cccc1-c1nnn[n-]1)[C@@H](C)c1cccc(C(F)(F)F)c1 ZINC000737005910 1446390753 /nfs/dbraw/zinc/39/07/53/1446390753.db2.gz CWLCDJNLPXRYNZ-LBPRGKRZSA-N 0 2 392.385 3.495 20 0 GGADLN O[C@@H](CNc1[nH+]c2c(cc1-c1nnn[n-]1)CCC2)c1ccc(Cl)cc1Cl ZINC000738383838 1446445723 /nfs/dbraw/zinc/44/57/23/1446445723.db2.gz QVYXBMIQABWXPR-HNNXBMFYSA-N 0 2 391.262 3.203 20 0 GGADLN CCn1c(C)cc(C(=O)C[N@H+](Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)c1C ZINC000821564149 1446516854 /nfs/dbraw/zinc/51/68/54/1446516854.db2.gz VIEQFGFRRGUYSX-UHFFFAOYSA-N 0 2 378.480 3.152 20 0 GGADLN CCn1c(C)cc(C(=O)C[N@@H+](Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)c1C ZINC000821564149 1446516858 /nfs/dbraw/zinc/51/68/58/1446516858.db2.gz VIEQFGFRRGUYSX-UHFFFAOYSA-N 0 2 378.480 3.152 20 0 GGADLN Cc1cc[nH+]c(N[C@@H]2CCN(c3ccc(C(F)(F)F)cc3)C2)c1-c1nnn[n-]1 ZINC000826312562 1446565446 /nfs/dbraw/zinc/56/54/46/1446565446.db2.gz IHVUWBYJSDIMAB-CYBMUJFWSA-N 0 2 389.385 3.280 20 0 GGADLN Cc1ccc(NC(=O)C[N@H+]2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)c(C)c1 ZINC000826290234 1446818978 /nfs/dbraw/zinc/81/89/78/1446818978.db2.gz GIORISFKPJJKDF-UHFFFAOYSA-N 0 2 388.475 3.211 20 0 GGADLN Cc1ccc(NC(=O)C[N@@H+]2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)c(C)c1 ZINC000826290234 1446818981 /nfs/dbraw/zinc/81/89/81/1446818981.db2.gz GIORISFKPJJKDF-UHFFFAOYSA-N 0 2 388.475 3.211 20 0 GGADLN Cc1nn(-c2ccccc2)c(C[N@@H+](C)Cc2ccccc2F)c1-c1nnn[n-]1 ZINC000826332499 1446901684 /nfs/dbraw/zinc/90/16/84/1446901684.db2.gz WHPGFIRMNNGPNB-UHFFFAOYSA-N 0 2 377.427 3.132 20 0 GGADLN Cc1nn(-c2ccccc2)c(C[N@H+](C)Cc2ccccc2F)c1-c1nnn[n-]1 ZINC000826332499 1446901688 /nfs/dbraw/zinc/90/16/88/1446901688.db2.gz WHPGFIRMNNGPNB-UHFFFAOYSA-N 0 2 377.427 3.132 20 0 GGADLN Cc1cc(N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)nc(-c2cccnc2)[nH+]1 ZINC000737270666 1446906805 /nfs/dbraw/zinc/90/68/05/1446906805.db2.gz OHAXNRNDGLYVOP-UHFFFAOYSA-N 0 2 384.447 3.196 20 0 GGADLN C[C@H](c1cccc(F)c1)[NH+]1CCN(Cc2ccc(F)c(-c3nnn[n-]3)c2)CC1 ZINC000824772744 1446907785 /nfs/dbraw/zinc/90/77/85/1446907785.db2.gz XECHGQMCHYIRGY-CQSZACIVSA-N 0 2 384.434 3.024 20 0 GGADLN CC(C)CC1(C(=O)N2CC[NH+](Cc3ccc(-c4nnn[n-]4)cc3)CC2)CCCC1 ZINC000820062181 1447162917 /nfs/dbraw/zinc/16/29/17/1447162917.db2.gz IWIXQXIXKJDIDW-UHFFFAOYSA-N 0 2 396.539 3.117 20 0 GGADLN O=C(c1ccccc1-c1ccccc1-c1nnn[n-]1)N1CCC[C@@H](c2[nH]cc[nH+]2)C1 ZINC000738278906 1447212657 /nfs/dbraw/zinc/21/26/57/1447212657.db2.gz PFKGZALNLLPRCT-OAHLLOKOSA-N 0 2 399.458 3.277 20 0 GGADLN CC[C@H]([NH2+][C@H](C)c1ccc(-c2nnn[n-]2)c(F)c1)c1nnc2n1CCCCC2 ZINC000825141259 1447220799 /nfs/dbraw/zinc/22/07/99/1447220799.db2.gz NCNMKFGGTLAHCE-WBMJQRKESA-N 0 2 384.463 3.126 20 0 GGADLN COc1ccc(C[N@@H+]2CCn3cccc3[C@@H]2c2ccccc2)cc1-c1nnn[n-]1 ZINC000826194983 1449367658 /nfs/dbraw/zinc/36/76/58/1449367658.db2.gz CWSASIZKBSCILJ-NRFANRHFSA-N 0 2 386.459 3.282 20 0 GGADLN COc1ccc(C[N@H+]2CCn3cccc3[C@@H]2c2ccccc2)cc1-c1nnn[n-]1 ZINC000826194983 1449367661 /nfs/dbraw/zinc/36/76/61/1449367661.db2.gz CWSASIZKBSCILJ-NRFANRHFSA-N 0 2 386.459 3.282 20 0 GGADLN COc1ccc(C)cc1C1(CNc2[nH+]c(C)ccc2-c2nnn[n-]2)CCOCC1 ZINC000826190101 1449582613 /nfs/dbraw/zinc/58/26/13/1449582613.db2.gz PRCYVFCWOXFAAD-UHFFFAOYSA-N 0 2 394.479 3.047 20 0 GGADLN COc1ccc(Br)c(C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000821770892 1449733830 /nfs/dbraw/zinc/73/38/30/1449733830.db2.gz ZEWHEWPPDXPFFU-UHFFFAOYSA-N 0 2 392.232 3.067 20 0 GGADLN C[C@H]([NH2+]Cc1ccc(-c2nnn[n-]2)cc1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000820428507 1449996947 /nfs/dbraw/zinc/99/69/47/1449996947.db2.gz XQSLMHRPFMXEGJ-NSHDSACASA-N 0 2 381.827 3.421 20 0 GGADLN CCCc1nc(C[NH+]2CCC(Oc3ccc(-c4nnn[n-]4)cc3)CC2)cs1 ZINC000736495524 1450091087 /nfs/dbraw/zinc/09/10/87/1450091087.db2.gz NHULQLRCMASMQD-UHFFFAOYSA-N 0 2 384.509 3.319 20 0 GGADLN Cc1nn(C(C)(C)C)c(C)c1C[N@@H+]1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826333190 1450236429 /nfs/dbraw/zinc/23/64/29/1450236429.db2.gz XTURCXIDQONSNC-LJQANCHMSA-N 0 2 395.511 3.009 20 0 GGADLN Cc1nn(C(C)(C)C)c(C)c1C[N@H+]1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826333190 1450236435 /nfs/dbraw/zinc/23/64/35/1450236435.db2.gz XTURCXIDQONSNC-LJQANCHMSA-N 0 2 395.511 3.009 20 0 GGADLN C[C@@H]([NH2+]Cc1nc(-c2ccc(F)c(F)c2)no1)c1cccc(-c2nnn[n-]2)c1 ZINC000824626411 1450246767 /nfs/dbraw/zinc/24/67/67/1450246767.db2.gz ODMYUZMHSZWHNR-SNVBAGLBSA-N 0 2 383.362 3.046 20 0 GGADLN Cc1cc(C)c(NC(=O)CCCCOc2cccc(-c3nnn[n-]3)c2)c(C)[nH+]1 ZINC000737247372 1450261797 /nfs/dbraw/zinc/26/17/97/1450261797.db2.gz VQPZURUDYCIOAC-UHFFFAOYSA-N 0 2 380.452 3.375 20 0 GGADLN CC[C@@H](CC1CCCC1)C(=O)N1CC[NH+](Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000736349709 1450272308 /nfs/dbraw/zinc/27/23/08/1450272308.db2.gz JGIKWLHCUFQBQZ-IBGZPJMESA-N 0 2 396.539 3.117 20 0 GGADLN COc1cc(-c2nnn[n-]2)ccc1C[N@@H+]1CCn2cccc2[C@@H]1c1ccccc1 ZINC000826169970 1450451564 /nfs/dbraw/zinc/45/15/64/1450451564.db2.gz KTNNDGJQVXBDSI-NRFANRHFSA-N 0 2 386.459 3.282 20 0 GGADLN COc1cc(-c2nnn[n-]2)ccc1C[N@H+]1CCn2cccc2[C@@H]1c1ccccc1 ZINC000826169970 1450451568 /nfs/dbraw/zinc/45/15/68/1450451568.db2.gz KTNNDGJQVXBDSI-NRFANRHFSA-N 0 2 386.459 3.282 20 0 GGADLN CCOc1cc2c(cc1[C@@H]1C[C@@H]1Nc1[nH+]c(C)ccc1-c1nnn[n-]1)O[C@@H](C)C2 ZINC000825615726 1450454987 /nfs/dbraw/zinc/45/49/87/1450454987.db2.gz IMKAIGVZIVYNBS-NUTKFTJISA-N 0 2 392.463 3.260 20 0 GGADLN O=C([O-])C1(NC(=O)N[C@@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)CCCC1 ZINC000780572151 939135389 /nfs/dbraw/zinc/13/53/89/939135389.db2.gz WGTVNGIRTZRDNE-OAHLLOKOSA-N 0 2 397.878 3.140 20 0 GGADLN O=C([O-])C1(NC(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)CCCC1 ZINC000780572151 939135391 /nfs/dbraw/zinc/13/53/91/939135391.db2.gz WGTVNGIRTZRDNE-OAHLLOKOSA-N 0 2 397.878 3.140 20 0 GGADLN C[C@@](NC(=O)NCCCCn1cc[nH+]c1)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000908862086 939340116 /nfs/dbraw/zinc/34/01/16/939340116.db2.gz KGHNCENNSJPJFG-KRWDZBQOSA-N 0 2 399.278 3.269 20 0 GGADLN Cc1cc(C)c(CNC(=O)N[C@@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)c[nH+]1 ZINC000909165552 939387054 /nfs/dbraw/zinc/38/70/54/939387054.db2.gz GUOBZJWCWBYRLO-OAHLLOKOSA-N 0 2 381.354 3.342 20 0 GGADLN COc1ccc([C@@H](NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C(=O)[O-])cc1Cl ZINC000909794756 939732973 /nfs/dbraw/zinc/73/29/73/939732973.db2.gz ISJICWKLKGAEAL-GOEBONIOSA-N 0 2 379.844 3.074 20 0 GGADLN Cc1ccc(NC(=O)C[NH2+][C@@](C)(C(=O)[O-])c2ccccc2)c(Br)c1 ZINC001600448656 970810633 /nfs/dbraw/zinc/81/06/33/970810633.db2.gz LMVHQQJUQUINJC-GOSISDBHSA-N 0 2 391.265 3.286 20 0 GGADLN C[C@@H]1CC[N@H+](Cc2nnc(-c3ccccc3Br)o2)[C@H](C(=O)[O-])C1 ZINC000322910721 970944257 /nfs/dbraw/zinc/94/42/57/970944257.db2.gz FRNPBJMJIBJUHD-MFKMUULPSA-N 0 2 380.242 3.184 20 0 GGADLN C[C@@H]1CC[N@@H+](Cc2nnc(-c3ccccc3Br)o2)[C@H](C(=O)[O-])C1 ZINC000322910721 970944263 /nfs/dbraw/zinc/94/42/63/970944263.db2.gz FRNPBJMJIBJUHD-MFKMUULPSA-N 0 2 380.242 3.184 20 0 GGADLN C[C@H]1CC[N@H+](Cc2nnc(-c3ccccc3Br)o2)[C@H](C(=O)[O-])C1 ZINC000322910713 970944611 /nfs/dbraw/zinc/94/46/11/970944611.db2.gz FRNPBJMJIBJUHD-GWCFXTLKSA-N 0 2 380.242 3.184 20 0 GGADLN C[C@H]1CC[N@@H+](Cc2nnc(-c3ccccc3Br)o2)[C@H](C(=O)[O-])C1 ZINC000322910713 970944613 /nfs/dbraw/zinc/94/46/13/970944613.db2.gz FRNPBJMJIBJUHD-GWCFXTLKSA-N 0 2 380.242 3.184 20 0 GGADLN O=C([O-])[C@@H]1C[N@H+](CC(=O)Nc2nc3ccc(F)cc3s2)Cc2ccccc21 ZINC001601319469 970974092 /nfs/dbraw/zinc/97/40/92/970974092.db2.gz PHKPKCYTZDGJSA-CQSZACIVSA-N 0 2 385.420 3.058 20 0 GGADLN O=C([O-])[C@@H]1C[N@@H+](CC(=O)Nc2nc3ccc(F)cc3s2)Cc2ccccc21 ZINC001601319469 970974094 /nfs/dbraw/zinc/97/40/94/970974094.db2.gz PHKPKCYTZDGJSA-CQSZACIVSA-N 0 2 385.420 3.058 20 0 GGADLN O=C([O-])[C@H]1Cc2ccccc2C[N@@H+]1CC(=O)Nc1cccc(Cl)c1Cl ZINC000327450227 971400072 /nfs/dbraw/zinc/40/00/72/971400072.db2.gz WWUCSHKANXVDOB-OAHLLOKOSA-N 0 2 379.243 3.443 20 0 GGADLN O=C([O-])[C@H]1Cc2ccccc2C[N@H+]1CC(=O)Nc1cccc(Cl)c1Cl ZINC000327450227 971400075 /nfs/dbraw/zinc/40/00/75/971400075.db2.gz WWUCSHKANXVDOB-OAHLLOKOSA-N 0 2 379.243 3.443 20 0 GGADLN CC[C@@]1(C(=O)[O-])CCC[N@@H+]([C@@H](C(=O)OC)c2cccc(Br)c2)C1 ZINC001589605295 949247394 /nfs/dbraw/zinc/24/73/94/949247394.db2.gz RAJDRGGBCJNALP-RHSMWYFYSA-N 0 2 384.270 3.240 20 0 GGADLN CC[C@@]1(C(=O)[O-])CCC[N@H+]([C@@H](C(=O)OC)c2cccc(Br)c2)C1 ZINC001589605295 949247415 /nfs/dbraw/zinc/24/74/15/949247415.db2.gz RAJDRGGBCJNALP-RHSMWYFYSA-N 0 2 384.270 3.240 20 0 GGADLN O=C([O-])c1ccc(C[N@@H+]2CCCC[C@@H]2c2nnc(C3CCOCC3)o2)s1 ZINC001595227434 949318811 /nfs/dbraw/zinc/31/88/11/949318811.db2.gz HSANQHNUJPFZCP-CQSZACIVSA-N 0 2 377.466 3.451 20 0 GGADLN O=C([O-])c1ccc(C[N@H+]2CCCC[C@@H]2c2nnc(C3CCOCC3)o2)s1 ZINC001595227434 949318835 /nfs/dbraw/zinc/31/88/35/949318835.db2.gz HSANQHNUJPFZCP-CQSZACIVSA-N 0 2 377.466 3.451 20 0 GGADLN O=C([O-])c1ccc(NC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)c(F)c1 ZINC001595235326 949386533 /nfs/dbraw/zinc/38/65/33/949386533.db2.gz MNFXOITUBUQRJM-UHFFFAOYSA-N 0 2 386.427 3.468 20 0 GGADLN O=C([O-])c1cccc(CNc2[nH]c3ccc(I)cc3[nH+]2)c1 ZINC001595244825 949506629 /nfs/dbraw/zinc/50/66/29/949506629.db2.gz UDUPGPLGZNHIGA-UHFFFAOYSA-N 0 2 393.184 3.478 20 0 GGADLN O=C([O-])c1cccc(CNc2[nH]c3cc(I)ccc3[nH+]2)c1 ZINC001595244825 949506640 /nfs/dbraw/zinc/50/66/40/949506640.db2.gz UDUPGPLGZNHIGA-UHFFFAOYSA-N 0 2 393.184 3.478 20 0 GGADLN CCC[N@H+](CC(=O)[O-])[C@H](C)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC001589667624 949907339 /nfs/dbraw/zinc/90/73/39/949907339.db2.gz GCGYPRGZPOLTDD-SNVBAGLBSA-N 0 2 383.420 3.212 20 0 GGADLN CCC[N@@H+](CC(=O)[O-])[C@H](C)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC001589667624 949907352 /nfs/dbraw/zinc/90/73/52/949907352.db2.gz GCGYPRGZPOLTDD-SNVBAGLBSA-N 0 2 383.420 3.212 20 0 GGADLN CCC[N@H+](CC(=O)[O-])Cc1cc(Br)c(O)c(Br)c1 ZINC001589669892 949931579 /nfs/dbraw/zinc/93/15/79/949931579.db2.gz WOXIKIGQDWATMF-UHFFFAOYSA-N 0 2 381.064 3.214 20 0 GGADLN CCC[N@@H+](CC(=O)[O-])Cc1cc(Br)c(O)c(Br)c1 ZINC001589669892 949931599 /nfs/dbraw/zinc/93/15/99/949931599.db2.gz WOXIKIGQDWATMF-UHFFFAOYSA-N 0 2 381.064 3.214 20 0 GGADLN CC[N@H+](CC(=O)Nc1cc(-c2ccccc2)nn1-c1ccccc1)[C@H](C)C(=O)[O-] ZINC001589718691 950382619 /nfs/dbraw/zinc/38/26/19/950382619.db2.gz CZRPGHZKNJRUDJ-MRXNPFEDSA-N 0 2 392.459 3.273 20 0 GGADLN CC[N@@H+](CC(=O)Nc1cc(-c2ccccc2)nn1-c1ccccc1)[C@H](C)C(=O)[O-] ZINC001589718691 950382639 /nfs/dbraw/zinc/38/26/39/950382639.db2.gz CZRPGHZKNJRUDJ-MRXNPFEDSA-N 0 2 392.459 3.273 20 0 GGADLN CC(C)C[C@H]1C[N@H+](Cc2ccc(Cl)cc2)CCN1C(=O)NCCC(=O)[O-] ZINC000263391607 950431492 /nfs/dbraw/zinc/43/14/92/950431492.db2.gz QMWWABXZPWKMRB-KRWDZBQOSA-N 0 2 381.904 3.057 20 0 GGADLN CC(C)C[C@H]1C[N@@H+](Cc2ccc(Cl)cc2)CCN1C(=O)NCCC(=O)[O-] ZINC000263391607 950431510 /nfs/dbraw/zinc/43/15/10/950431510.db2.gz QMWWABXZPWKMRB-KRWDZBQOSA-N 0 2 381.904 3.057 20 0 GGADLN CCNc1cc(CNC(=O)Nc2cc(C(=O)[O-])ccc2Br)cc[nH+]1 ZINC001589960071 950731243 /nfs/dbraw/zinc/73/12/43/950731243.db2.gz AEWJZKVINZZVLM-UHFFFAOYSA-N 0 2 393.241 3.296 20 0 GGADLN CCOC(=O)c1csc([C@H]2CCC[N@@H+]2CCOc2ccccc2C(=O)[O-])n1 ZINC001591278985 951110053 /nfs/dbraw/zinc/11/00/53/951110053.db2.gz CTRMUWOEXFURJI-OAHLLOKOSA-N 0 2 390.461 3.234 20 0 GGADLN CCOC(=O)c1csc([C@H]2CCC[N@H+]2CCOc2ccccc2C(=O)[O-])n1 ZINC001591278985 951110059 /nfs/dbraw/zinc/11/00/59/951110059.db2.gz CTRMUWOEXFURJI-OAHLLOKOSA-N 0 2 390.461 3.234 20 0 GGADLN O=C([O-])CC[C@@H]1C[C@@H](C(=O)Oc2ccc(-c3[nH+]cc4n3CCCC4)cc2)CO1 ZINC001595002699 951154218 /nfs/dbraw/zinc/15/42/18/951154218.db2.gz BANVZXHYEWHRPN-CRAIPNDOSA-N 0 2 384.432 3.062 20 0 GGADLN O=C([O-])CC[C@H]1C[C@H](C(=O)Oc2ccc(-c3[nH+]cc4n3CCCC4)cc2)CO1 ZINC001595002714 951154368 /nfs/dbraw/zinc/15/43/68/951154368.db2.gz BANVZXHYEWHRPN-YJBOKZPZSA-N 0 2 384.432 3.062 20 0 GGADLN O=C([O-])CC[C@@H]1CCCCN1C(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC001595010944 951240409 /nfs/dbraw/zinc/24/04/09/951240409.db2.gz CDWIWHLILRUOPC-AWEZNQCLSA-N 0 2 390.871 3.455 20 0 GGADLN O=C([O-])CC[C@@H]1CCCN(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)C1 ZINC001595014728 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LWZGTUHYUPTMBO-VFNWGFHPSA-N 0 2 384.451 3.311 20 0 GGADLN C[C@H](C(=O)[O-])[N@@H+](CC(=O)N(C)[C@@H](c1ccccc1)c1ccc(F)cc1)C1CC1 ZINC000420272355 953421467 /nfs/dbraw/zinc/42/14/67/953421467.db2.gz LWZGTUHYUPTMBO-VFNWGFHPSA-N 0 2 384.451 3.311 20 0 GGADLN C[C@H]1CCC[N@H+](CC(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)[C@@H]1C(=O)[O-] ZINC000424273076 953449877 /nfs/dbraw/zinc/44/98/77/953449877.db2.gz VTHIAJDQIWQNTC-DJJJIMSYSA-N 0 2 390.867 3.401 20 0 GGADLN C[C@H]1CCC[N@@H+](CC(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)[C@@H]1C(=O)[O-] ZINC000424273076 953449886 /nfs/dbraw/zinc/44/98/86/953449886.db2.gz VTHIAJDQIWQNTC-DJJJIMSYSA-N 0 2 390.867 3.401 20 0 GGADLN C[C@@H]1CCC[N@H+](CC(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)[C@H]1C(=O)[O-] ZINC000424273075 953449940 /nfs/dbraw/zinc/44/99/40/953449940.db2.gz VTHIAJDQIWQNTC-BFUOFWGJSA-N 0 2 390.867 3.401 20 0 GGADLN C[C@@H]1CCC[N@@H+](CC(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)[C@H]1C(=O)[O-] ZINC000424273075 953449946 /nfs/dbraw/zinc/44/99/46/953449946.db2.gz VTHIAJDQIWQNTC-BFUOFWGJSA-N 0 2 390.867 3.401 20 0 GGADLN CCC(CC)(CNC(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1)C(=O)[O-] ZINC000424393653 953458655 /nfs/dbraw/zinc/45/86/55/953458655.db2.gz BAPSKPQHDUUSKY-UHFFFAOYSA-N 0 2 378.860 3.216 20 0 GGADLN CC(C)(CCNC(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1)C(=O)[O-] ZINC000424394633 953460411 /nfs/dbraw/zinc/46/04/11/953460411.db2.gz NIYJXQWOTMTUAY-HNNXBMFYSA-N 0 2 399.894 3.416 20 0 GGADLN CCC(CC)(CNC(=O)N[C@H](Cn1cc[nH+]c1)c1ccc(C)cc1C)C(=O)[O-] ZINC000424396112 953461991 /nfs/dbraw/zinc/46/19/91/953461991.db2.gz BMEWSZNADRXFCI-GOSISDBHSA-N 0 2 386.496 3.431 20 0 GGADLN CC(C)(CCNC(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1)C(=O)[O-] ZINC000424420466 953480121 /nfs/dbraw/zinc/48/01/21/953480121.db2.gz ZZUDUDCVBJQVCK-HNNXBMFYSA-N 0 2 399.894 3.244 20 0 GGADLN CC(C)(CCNC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1)C(=O)[O-] ZINC000424420466 953480129 /nfs/dbraw/zinc/48/01/29/953480129.db2.gz ZZUDUDCVBJQVCK-HNNXBMFYSA-N 0 2 399.894 3.244 20 0 GGADLN CCC(CC)(CNC(=O)Nc1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1)C(=O)[O-] ZINC000424471087 953490354 /nfs/dbraw/zinc/49/03/54/953490354.db2.gz MTUDIIIKIPJXHU-CYBMUJFWSA-N 0 2 382.530 3.388 20 0 GGADLN CCC(CC)(CNC(=O)Nc1nc(C[N@H+]2CCC[C@@H](C)C2)cs1)C(=O)[O-] ZINC000424471087 953490364 /nfs/dbraw/zinc/49/03/64/953490364.db2.gz MTUDIIIKIPJXHU-CYBMUJFWSA-N 0 2 382.530 3.388 20 0 GGADLN O=C([O-])[C@@H]1C[C@H](NC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)c2ccccc21 ZINC001594767520 953535786 /nfs/dbraw/zinc/53/57/86/953535786.db2.gz DMKYMOIQJNCJKW-AEFFLSMTSA-N 0 2 394.406 3.124 20 0 GGADLN O=C([O-])c1ccccc1CNC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1 ZINC001594773307 953578761 /nfs/dbraw/zinc/57/87/61/953578761.db2.gz LLYKYUWIWHMWOY-VQTJNVASSA-N 0 2 390.443 3.309 20 0 GGADLN CCc1ccc(C[NH+]2CCN(C(=O)C3(C(=O)[O-])C(C)(C)C3(C)C)CC2)s1 ZINC001593637783 953622868 /nfs/dbraw/zinc/62/28/68/953622868.db2.gz LUMVFOBWNWEAJE-UHFFFAOYSA-N 0 2 378.538 3.092 20 0 GGADLN C[C@@H]1CC[C@H](C(=O)[O-])CN1C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC001589306376 953745054 /nfs/dbraw/zinc/74/50/54/953745054.db2.gz UXASNPWWAHJDTO-ZBFHGGJFSA-N 0 2 380.448 3.319 20 0 GGADLN O=C([O-])c1ccnc(NC(=O)N[C@@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)c1 ZINC001594802376 953752609 /nfs/dbraw/zinc/75/26/09/953752609.db2.gz VOIARZLTPOMVJP-FUHWJXTLSA-N 0 2 377.404 3.027 20 0 GGADLN O=C([O-])c1cncc(NC(=O)N[C@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)c1 ZINC001594816537 953865882 /nfs/dbraw/zinc/86/58/82/953865882.db2.gz LNUUDUCRNDMUIR-ROUUACIJSA-N 0 2 377.404 3.027 20 0 GGADLN O=C([O-])c1cncc(NC(=O)N[C@@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)c1 ZINC001594816532 953866085 /nfs/dbraw/zinc/86/60/85/953866085.db2.gz LNUUDUCRNDMUIR-QZTJIDSGSA-N 0 2 377.404 3.027 20 0 GGADLN Cc1cc(C)c(-c2csc(NC(=O)C[N@@H+](CC(=O)[O-])CC3CC3)n2)cc1C ZINC000650509721 954023939 /nfs/dbraw/zinc/02/39/39/954023939.db2.gz POXXBYPPIRIDES-UHFFFAOYSA-N 0 2 387.505 3.470 20 0 GGADLN Cc1cc(C)c(-c2csc(NC(=O)C[N@H+](CC(=O)[O-])CC3CC3)n2)cc1C ZINC000650509721 954023950 /nfs/dbraw/zinc/02/39/50/954023950.db2.gz POXXBYPPIRIDES-UHFFFAOYSA-N 0 2 387.505 3.470 20 0 GGADLN CCCc1ccc(-c2csc(NC(=O)C[N@H+](C)[C@@H](CC)C(=O)[O-])n2)cc1 ZINC000650517343 954026350 /nfs/dbraw/zinc/02/63/50/954026350.db2.gz HQAWCTWIMXVKNN-INIZCTEOSA-N 0 2 375.494 3.496 20 0 GGADLN CCCc1ccc(-c2csc(NC(=O)C[N@@H+](C)[C@@H](CC)C(=O)[O-])n2)cc1 ZINC000650517343 954026362 /nfs/dbraw/zinc/02/63/62/954026362.db2.gz HQAWCTWIMXVKNN-INIZCTEOSA-N 0 2 375.494 3.496 20 0 GGADLN CC[C@H](C(=O)[O-])[N@H+](C)CC(=O)Nc1cc(C2CCCC2)nn1-c1ccccc1 ZINC000650517357 954026840 /nfs/dbraw/zinc/02/68/40/954026840.db2.gz IEDCGTFKPGYZKX-GOSISDBHSA-N 0 2 384.480 3.263 20 0 GGADLN CC[C@H](C(=O)[O-])[N@@H+](C)CC(=O)Nc1cc(C2CCCC2)nn1-c1ccccc1 ZINC000650517357 954026855 /nfs/dbraw/zinc/02/68/55/954026855.db2.gz IEDCGTFKPGYZKX-GOSISDBHSA-N 0 2 384.480 3.263 20 0 GGADLN O=C([O-])[C@@]1(C(=O)N2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)CC=CCC1 ZINC000653307032 954120452 /nfs/dbraw/zinc/12/04/52/954120452.db2.gz AHMPHTWVAQAFAA-IBGZPJMESA-N 0 2 396.409 3.161 20 0 GGADLN CCC(CC)(C(=O)[O-])C(=O)Nc1nc2ccccc2n1CCCn1cc[nH+]c1 ZINC000653306760 954120507 /nfs/dbraw/zinc/12/05/07/954120507.db2.gz WHMDRBIXYJSTCB-UHFFFAOYSA-N 0 2 383.452 3.153 20 0 GGADLN O=C([O-])[C@@H]1C[C@@H](NC(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)c2ccccc21 ZINC000653329394 954158610 /nfs/dbraw/zinc/15/86/10/954158610.db2.gz VVVSYDDFIGGKCG-AQNXPRMDSA-N 0 2 396.512 3.206 20 0 GGADLN O=C([O-])C[N@H+](CC(=O)N[C@H](c1ccccc1)c1cccc(Cl)c1)C1CCC1 ZINC000655937505 954293828 /nfs/dbraw/zinc/29/38/28/954293828.db2.gz ZFKXJZIWAYIXOZ-OAQYLSRUSA-N 0 2 386.879 3.485 20 0 GGADLN O=C([O-])C[N@@H+](CC(=O)N[C@H](c1ccccc1)c1cccc(Cl)c1)C1CCC1 ZINC000655937505 954293843 /nfs/dbraw/zinc/29/38/43/954293843.db2.gz ZFKXJZIWAYIXOZ-OAQYLSRUSA-N 0 2 386.879 3.485 20 0 GGADLN O=C([O-])C[N@H+](CC(=O)NCc1ccc(-c2ccc(Cl)cc2)o1)C1CCC1 ZINC000655935256 954294140 /nfs/dbraw/zinc/29/41/40/954294140.db2.gz DPUIGTKBAQVQAS-UHFFFAOYSA-N 0 2 376.840 3.155 20 0 GGADLN O=C([O-])C[N@@H+](CC(=O)NCc1ccc(-c2ccc(Cl)cc2)o1)C1CCC1 ZINC000655935256 954294147 /nfs/dbraw/zinc/29/41/47/954294147.db2.gz DPUIGTKBAQVQAS-UHFFFAOYSA-N 0 2 376.840 3.155 20 0 GGADLN CC(C)C[C@H](CNC(=O)N1CCC(CCCn2cc[nH+]c2)CC1)CC(=O)[O-] ZINC000659416602 954339101 /nfs/dbraw/zinc/33/91/01/954339101.db2.gz JZMHOUOKQDPUHO-SFHVURJKSA-N 0 2 378.517 3.222 20 0 GGADLN C[C@H]1CCC[N@H+](Cc2csc(NC(=O)c3ccc(OCC(=O)[O-])cc3)n2)C1 ZINC000659751133 954350172 /nfs/dbraw/zinc/35/01/72/954350172.db2.gz HMCRPSMYTJDXER-ZDUSSCGKSA-N 0 2 389.477 3.091 20 0 GGADLN C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)c3ccc(OCC(=O)[O-])cc3)n2)C1 ZINC000659751133 954350185 /nfs/dbraw/zinc/35/01/85/954350185.db2.gz HMCRPSMYTJDXER-ZDUSSCGKSA-N 0 2 389.477 3.091 20 0 GGADLN CC[N@H+](CC(=O)Nc1cc(C2CCCC2)nn1-c1ccccc1)[C@H](C)C(=O)[O-] ZINC000662215412 954385100 /nfs/dbraw/zinc/38/51/00/954385100.db2.gz JLZLBAXBFWWIHE-OAHLLOKOSA-N 0 2 384.480 3.263 20 0 GGADLN CC[N@@H+](CC(=O)Nc1cc(C2CCCC2)nn1-c1ccccc1)[C@H](C)C(=O)[O-] ZINC000662215412 954385109 /nfs/dbraw/zinc/38/51/09/954385109.db2.gz JLZLBAXBFWWIHE-OAHLLOKOSA-N 0 2 384.480 3.263 20 0 GGADLN CC(C)(C)[C@H](C(=O)[O-])C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000663083657 954462275 /nfs/dbraw/zinc/46/22/75/954462275.db2.gz CWAVAJMXSMJMME-ZBFHGGJFSA-N 0 2 384.879 3.307 20 0 GGADLN CC(C)(C)[C@H](C(=O)[O-])C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000663083657 954462277 /nfs/dbraw/zinc/46/22/77/954462277.db2.gz CWAVAJMXSMJMME-ZBFHGGJFSA-N 0 2 384.879 3.307 20 0 GGADLN C[C@@H]1C[NH+](Cc2ccccc2NC(=O)c2ccc(OCC(=O)[O-])cc2)C[C@@H](C)O1 ZINC000663112343 954504159 /nfs/dbraw/zinc/50/41/59/954504159.db2.gz HGVYRAQPPYLNSO-HZPDHXFCSA-N 0 2 398.459 3.012 20 0 GGADLN CC[N@H+](CC(=O)N1CCc2ccccc2[C@@H]1C(=O)[O-])Cc1ccccc1Cl ZINC000663148932 954532658 /nfs/dbraw/zinc/53/26/58/954532658.db2.gz ULAXCQGYPFJNSM-HXUWFJFHSA-N 0 2 386.879 3.373 20 0 GGADLN CC[N@@H+](CC(=O)N1CCc2ccccc2[C@@H]1C(=O)[O-])Cc1ccccc1Cl ZINC000663148932 954532669 /nfs/dbraw/zinc/53/26/69/954532669.db2.gz 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O=C([O-])[C@H]1CN(C(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)Cc2ccccc21 ZINC001594942432 954903456 /nfs/dbraw/zinc/90/34/56/954903456.db2.gz IVZADKFZWCEARZ-OALUTQOASA-N 0 2 375.428 3.142 20 0 GGADLN O=C([O-])C=Cc1cc(C(=O)N[C@H]2CCc3[nH+]c(C4CCCCC4)[nH]c3C2)co1 ZINC001594970040 955101051 /nfs/dbraw/zinc/10/10/51/955101051.db2.gz QATBCCAEICRNFE-HEWZJLJBSA-N 0 2 383.448 3.436 20 0 GGADLN O=C([O-])C=Cc1cc(C(=O)N[C@H]2CCc3[nH]c(C4CCCCC4)[nH+]c3C2)co1 ZINC001594970040 955101058 /nfs/dbraw/zinc/10/10/58/955101058.db2.gz QATBCCAEICRNFE-HEWZJLJBSA-N 0 2 383.448 3.436 20 0 GGADLN CN(C)c1ccc([NH+]2CCC(NC(=O)C3(C(=O)[O-])CCCCCC3)CC2)cc1 ZINC000852952619 955877362 /nfs/dbraw/zinc/87/73/62/955877362.db2.gz NGDUJGZLEVLYAK-UHFFFAOYSA-N 0 2 387.524 3.263 20 0 GGADLN Cn1ncc(C(=O)[O-])c1C[N@@H+]1C[C@@H](c2cccc(C(F)(F)F)c2)OC(C)(C)C1 ZINC001594579461 955952255 /nfs/dbraw/zinc/95/22/55/955952255.db2.gz ZZFMLXPEPMETSC-INIZCTEOSA-N 0 2 397.397 3.489 20 0 GGADLN Cn1ncc(C(=O)[O-])c1C[N@H+]1C[C@@H](c2cccc(C(F)(F)F)c2)OC(C)(C)C1 ZINC001594579461 955952261 /nfs/dbraw/zinc/95/22/61/955952261.db2.gz ZZFMLXPEPMETSC-INIZCTEOSA-N 0 2 397.397 3.489 20 0 GGADLN C[C@@H](NC(=O)N[C@@H](C)[C@@H]1C[C@H](C(=O)[O-])C1(C)C)c1ccc(-n2cc[nH+]c2)cc1 ZINC001589102465 956011520 /nfs/dbraw/zinc/01/15/20/956011520.db2.gz AFKXVWUTZUVAAW-IDCJVQTKSA-N 0 2 384.480 3.368 20 0 GGADLN CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)NCc1ccccc1C(=O)[O-] ZINC000874409863 956183988 /nfs/dbraw/zinc/18/39/88/956183988.db2.gz BDXKTHBNNPFJAT-UHFFFAOYSA-N 0 2 396.491 3.228 20 0 GGADLN C[C@@H](NC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000898846085 956270177 /nfs/dbraw/zinc/27/01/77/956270177.db2.gz RBADINURQWCWGA-SPUZQDLCSA-N 0 2 384.480 3.059 20 0 GGADLN O=C([O-])CC[C@@H]1CCCCN1C(=O)Nc1nc(C[NH+]2CCCCC2)cs1 ZINC000899309270 956278482 /nfs/dbraw/zinc/27/84/82/956278482.db2.gz WWASEKMLIGNDLT-HNNXBMFYSA-N 0 2 380.514 3.380 20 0 GGADLN O=C([O-])CC[C@@H]1CCCCN1C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000899310173 956278596 /nfs/dbraw/zinc/27/85/96/956278596.db2.gz BOSOHWQUFZMASB-INIZCTEOSA-N 0 2 386.452 3.213 20 0 GGADLN CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1coc(/C=C\C(=O)[O-])c1 ZINC000901917563 956537587 /nfs/dbraw/zinc/53/75/87/956537587.db2.gz KIQYVIQEUVHNNE-SREVYHEPSA-N 0 2 383.448 3.151 20 0 GGADLN C[C@@H]1C[C@@]1(C(=O)[O-])C(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000901920465 956542693 /nfs/dbraw/zinc/54/26/93/956542693.db2.gz IOHUIATXIFVXGF-MWTRTKDXSA-N 0 2 389.455 3.325 20 0 GGADLN O=C([O-])c1ccc(/C=C\C(=O)NCCc2cn(Cc3ccc(Cl)cc3)c[nH+]2)o1 ZINC001594672217 956621357 /nfs/dbraw/zinc/62/13/57/956621357.db2.gz CGMAYAFMBFJEJD-VURMDHGXSA-N 0 2 399.834 3.248 20 0 GGADLN CC1(C)C(C)(C)C1(C(=O)[O-])C(=O)NCCN(Cc1ccccc1)c1cccc[nH+]1 ZINC001589205647 956663229 /nfs/dbraw/zinc/66/32/29/956663229.db2.gz XPQPBZDQKPNXEX-UHFFFAOYSA-N 0 2 395.503 3.341 20 0 GGADLN CC[C@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)[C@@H](C(=O)[O-])C2CCCC2)CC1 ZINC000902626998 956754939 /nfs/dbraw/zinc/75/49/39/956754939.db2.gz FXUGQAKTWAXLMQ-MOPGFXCFSA-N 0 2 376.472 3.312 20 0 GGADLN O=C([O-])CC[C@@H]1Cc2ccccc2N(C(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)C1 ZINC000902819793 956807390 /nfs/dbraw/zinc/80/73/90/956807390.db2.gz KUFKSVKDCFDFJM-CZUORRHYSA-N 0 2 395.381 3.447 20 0 GGADLN O=C([O-])CC[C@H]1Cc2ccccc2N(C(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)C1 ZINC000902819789 956807887 /nfs/dbraw/zinc/80/78/87/956807887.db2.gz KUFKSVKDCFDFJM-BBRMVZONSA-N 0 2 395.381 3.447 20 0 GGADLN O=C([O-])C1CCN(c2ccc(C[N@@H+]3CCO[C@@H](c4ccc(F)cc4)C3)o2)CC1 ZINC000904190729 956917331 /nfs/dbraw/zinc/91/73/31/956917331.db2.gz JYJKIMCHYMZOOT-LJQANCHMSA-N 0 2 388.439 3.293 20 0 GGADLN O=C([O-])C1CCN(c2ccc(C[N@H+]3CCO[C@@H](c4ccc(F)cc4)C3)o2)CC1 ZINC000904190729 956917339 /nfs/dbraw/zinc/91/73/39/956917339.db2.gz JYJKIMCHYMZOOT-LJQANCHMSA-N 0 2 388.439 3.293 20 0 GGADLN Cc1ccccc1[C@@H]1C[N@H+](Cc2ccc(N3CCC(C(=O)[O-])CC3)o2)CCO1 ZINC000904194114 956920405 /nfs/dbraw/zinc/92/04/05/956920405.db2.gz UPCILSLNMGCYDG-FQEVSTJZSA-N 0 2 384.476 3.463 20 0 GGADLN Cc1ccccc1[C@@H]1C[N@@H+](Cc2ccc(N3CCC(C(=O)[O-])CC3)o2)CCO1 ZINC000904194114 956920414 /nfs/dbraw/zinc/92/04/14/956920414.db2.gz UPCILSLNMGCYDG-FQEVSTJZSA-N 0 2 384.476 3.463 20 0 GGADLN Cc1[nH]c(C(=O)[C@@H](C)N2CC[NH+](C/C=C/c3ccccc3)CC2)c(C)c1C(=O)[O-] ZINC000023248853 957157923 /nfs/dbraw/zinc/15/79/23/957157923.db2.gz SRXNFLNKJZAZRG-RUJXFNLJSA-N 0 2 395.503 3.232 20 0 GGADLN Cc1cccc(C)c1NC(=O)C[N@@H+](C)Cc1ccc(N2CCC(C(=O)[O-])CC2)o1 ZINC001120370564 957198580 /nfs/dbraw/zinc/19/85/80/957198580.db2.gz AMPJCGJPMKOAHZ-UHFFFAOYSA-N 0 2 399.491 3.268 20 0 GGADLN Cc1cccc(C)c1NC(=O)C[N@H+](C)Cc1ccc(N2CCC(C(=O)[O-])CC2)o1 ZINC001120370564 957198587 /nfs/dbraw/zinc/19/85/87/957198587.db2.gz AMPJCGJPMKOAHZ-UHFFFAOYSA-N 0 2 399.491 3.268 20 0 GGADLN C[C@](CNC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1)(C(=O)[O-])c1ccccc1 ZINC001603169349 972271043 /nfs/dbraw/zinc/27/10/43/972271043.db2.gz YXKRTUMHWAFPPH-PGRDOPGGSA-N 0 2 377.444 3.090 20 0 GGADLN CC(C)(C)n1c[nH+]cc1[C@H]1CCCN(C(=O)NCc2ccccc2C(=O)[O-])C1 ZINC001341326120 957966865 /nfs/dbraw/zinc/96/68/65/957966865.db2.gz JRMVQDKAKRLZIY-INIZCTEOSA-N 0 2 384.480 3.426 20 0 GGADLN COc1cc(OC)c(NC(=O)C[NH2+][C@H](C(=O)[O-])c2cccc(C)c2)cc1Cl ZINC001594067363 958146642 /nfs/dbraw/zinc/14/66/42/958146642.db2.gz TYLREFWJIUEAAM-SFHVURJKSA-N 0 2 392.839 3.020 20 0 GGADLN CC[C@@H](CNC(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1)C(=O)[O-] ZINC001357172385 958187804 /nfs/dbraw/zinc/18/78/04/958187804.db2.gz ANLDEYIGEOPCRW-SWLSCSKDSA-N 0 2 385.867 3.026 20 0 GGADLN CC[C@@H](CNC(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1)C(=O)[O-] ZINC001357172387 958188141 /nfs/dbraw/zinc/18/81/41/958188141.db2.gz ANLDEYIGEOPCRW-WFASDCNBSA-N 0 2 385.867 3.026 20 0 GGADLN C[C@H](NC(=O)NC[C@](C)(C(=O)[O-])c1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC001603228363 972353005 /nfs/dbraw/zinc/35/30/05/972353005.db2.gz WJYAGVBBWNQGAZ-AOMKIAJQSA-N 0 2 392.459 3.275 20 0 GGADLN COc1cccc(Cn2c3ccccc3[nH+]c2NCc2cc(C(=O)[O-])nn2C)c1 ZINC001594130513 958659480 /nfs/dbraw/zinc/65/94/80/958659480.db2.gz INSVKGSFJHKNIJ-UHFFFAOYSA-N 0 2 391.431 3.137 20 0 GGADLN Cc1cccc([C@@H]([NH2+]CC(=O)Nc2ccc(Br)cc2)C(=O)[O-])c1 ZINC001594399211 958823516 /nfs/dbraw/zinc/82/35/16/958823516.db2.gz MGDYMMJBGISZEA-MRXNPFEDSA-N 0 2 377.238 3.112 20 0 GGADLN Cc1cccc(NC(=O)C[N@@H+](C)Cc2ccc(N3CCC[C@@H](C(=O)[O-])C3)o2)c1C ZINC001594405183 958899776 /nfs/dbraw/zinc/89/97/76/958899776.db2.gz CETIKRJYSVYWPR-QGZVFWFLSA-N 0 2 399.491 3.268 20 0 GGADLN Cc1cccc(NC(=O)C[N@H+](C)Cc2ccc(N3CCC[C@@H](C(=O)[O-])C3)o2)c1C ZINC001594405183 958899789 /nfs/dbraw/zinc/89/97/89/958899789.db2.gz CETIKRJYSVYWPR-QGZVFWFLSA-N 0 2 399.491 3.268 20 0 GGADLN Cc1cccc(NC(=O)C[N@@H+](C)Cc2ccc(N3CCC[C@H](C(=O)[O-])C3)o2)c1C ZINC001594405175 958899903 /nfs/dbraw/zinc/89/99/03/958899903.db2.gz CETIKRJYSVYWPR-KRWDZBQOSA-N 0 2 399.491 3.268 20 0 GGADLN Cc1cccc(NC(=O)C[N@H+](C)Cc2ccc(N3CCC[C@H](C(=O)[O-])C3)o2)c1C ZINC001594405175 958899923 /nfs/dbraw/zinc/89/99/23/958899923.db2.gz CETIKRJYSVYWPR-KRWDZBQOSA-N 0 2 399.491 3.268 20 0 GGADLN O=C([O-])c1ccc2c(c1)C[N@@H+](CC(=O)Nc1ccc(Br)cc1)CC2 ZINC000392055472 972405055 /nfs/dbraw/zinc/40/50/55/972405055.db2.gz LIFQICQMLZRGFN-UHFFFAOYSA-N 0 2 389.249 3.144 20 0 GGADLN O=C([O-])c1ccc2c(c1)C[N@H+](CC(=O)Nc1ccc(Br)cc1)CC2 ZINC000392055472 972405065 /nfs/dbraw/zinc/40/50/65/972405065.db2.gz LIFQICQMLZRGFN-UHFFFAOYSA-N 0 2 389.249 3.144 20 0 GGADLN Cc1c[nH+]c2cc(C(=O)Nc3scc(-c4cnn(C)c4)c3C(=O)[O-])ccn12 ZINC001594432712 959190909 /nfs/dbraw/zinc/19/09/09/959190909.db2.gz WELQYYRGKZNJKW-UHFFFAOYSA-N 0 2 381.417 3.055 20 0 GGADLN C[C@](CNC(=O)[C@H]1CC[C@@H](Nc2cccc[nH+]2)CC1)(C(=O)[O-])c1ccccc1 ZINC001573600080 959430388 /nfs/dbraw/zinc/43/03/88/959430388.db2.gz FBEUGVUYDXKTEO-TVTNDZMWSA-N 0 2 381.476 3.211 20 0 GGADLN CN(C)c1cc(CN2CC[C@H](C(=O)[O-])c3cc(Br)ccc32)cc[nH+]1 ZINC001604083671 972484388 /nfs/dbraw/zinc/48/43/88/972484388.db2.gz UYFWQVUFPSPTQI-AWEZNQCLSA-N 0 2 390.281 3.489 20 0 GGADLN O=C([O-])c1c[nH]c2cc(NC(=O)[C@H]3CCCC[N@@H+]3Cc3cccnc3)ccc12 ZINC001262178919 960822962 /nfs/dbraw/zinc/82/29/62/960822962.db2.gz VROOFNKURJNXMJ-LJQANCHMSA-N 0 2 378.432 3.254 20 0 GGADLN O=C([O-])c1c[nH]c2cc(NC(=O)[C@H]3CCCC[N@H+]3Cc3cccnc3)ccc12 ZINC001262178919 960822985 /nfs/dbraw/zinc/82/29/85/960822985.db2.gz VROOFNKURJNXMJ-LJQANCHMSA-N 0 2 378.432 3.254 20 0 GGADLN O=C([O-])c1ccc(C(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)o1 ZINC001262180121 960829106 /nfs/dbraw/zinc/82/91/06/960829106.db2.gz PAEVLAALIJOMKS-CYBMUJFWSA-N 0 2 380.803 3.337 20 0 GGADLN O=C([O-])c1ccc(C(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)o1 ZINC001262180122 960829561 /nfs/dbraw/zinc/82/95/61/960829561.db2.gz PAEVLAALIJOMKS-ZDUSSCGKSA-N 0 2 380.803 3.337 20 0 GGADLN O=C([O-])CC1(CNC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)CCCC1 ZINC001263633233 960892550 /nfs/dbraw/zinc/89/25/50/960892550.db2.gz LHQYHQXWGHYKHZ-QGZVFWFLSA-N 0 2 378.900 3.456 20 0 GGADLN O=C([O-])CC1(CNC(=O)[C@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)CCCC1 ZINC001263633233 960892572 /nfs/dbraw/zinc/89/25/72/960892572.db2.gz LHQYHQXWGHYKHZ-QGZVFWFLSA-N 0 2 378.900 3.456 20 0 GGADLN CC[C@H](Sc1nnc(C[NH+]2CCCC2)n1-c1ccc(Cl)cc1)C(=O)[O-] ZINC001573812511 960908800 /nfs/dbraw/zinc/90/88/00/960908800.db2.gz FVZXTMJNMCUKJN-AWEZNQCLSA-N 0 2 380.901 3.472 20 0 GGADLN CC[C@@H](Sc1nnc(C[NH+]2CCCC2)n1-c1ccc(Cl)cc1)C(=O)[O-] ZINC001573812513 960909438 /nfs/dbraw/zinc/90/94/38/960909438.db2.gz FVZXTMJNMCUKJN-CQSZACIVSA-N 0 2 380.901 3.472 20 0 GGADLN Cc1ccc2[nH+]c(CSCC(=O)N3[C@H](C(=O)[O-])C[C@@H]4CCCC[C@@H]43)cn2c1 ZINC000248562543 961195962 /nfs/dbraw/zinc/19/59/62/961195962.db2.gz OCQSRFJIEYUOBO-XIRDDKMYSA-N 0 2 387.505 3.120 20 0 GGADLN Cc1ccccc1[C@H]1C[N@H+](Cc2ccc(N3CCC[C@@H](C(=O)[O-])C3)o2)CCO1 ZINC001574404311 961252053 /nfs/dbraw/zinc/25/20/53/961252053.db2.gz DZCORCFGNKUTGJ-YLJYHZDGSA-N 0 2 384.476 3.463 20 0 GGADLN Cc1ccccc1[C@H]1C[N@@H+](Cc2ccc(N3CCC[C@@H](C(=O)[O-])C3)o2)CCO1 ZINC001574404311 961252069 /nfs/dbraw/zinc/25/20/69/961252069.db2.gz DZCORCFGNKUTGJ-YLJYHZDGSA-N 0 2 384.476 3.463 20 0 GGADLN O=C([O-])[C@@H]1C[N@H+](Cc2nccn2CC(F)(F)F)C[C@H]1c1ccc(F)cc1F ZINC001329714668 961308219 /nfs/dbraw/zinc/30/82/19/961308219.db2.gz XOXVBSRWEGDXDT-QWHCGFSZSA-N 0 2 389.324 3.024 20 0 GGADLN O=C([O-])[C@@H]1C[N@@H+](Cc2nccn2CC(F)(F)F)C[C@H]1c1ccc(F)cc1F ZINC001329714668 961308231 /nfs/dbraw/zinc/30/82/31/961308231.db2.gz XOXVBSRWEGDXDT-QWHCGFSZSA-N 0 2 389.324 3.024 20 0 GGADLN Cc1nc(NCc2cccc(C(=O)N[C@@](C)(C(=O)[O-])c3ccccc3)c2)cc[nH+]1 ZINC001574428477 961377532 /nfs/dbraw/zinc/37/75/32/961377532.db2.gz FEAILGDJBJQCKQ-JOCHJYFZSA-N 0 2 390.443 3.127 20 0 GGADLN O=C([O-])[C@@H]1C[C@H]1c1ccc(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2cccnc2)cc1 ZINC001332160595 961489442 /nfs/dbraw/zinc/48/94/42/961489442.db2.gz AHOVUKXENIUFLW-ZCNNSNEGSA-N 0 2 379.460 3.263 20 0 GGADLN O=C([O-])[C@@H]1C[C@H]1c1ccc(NC(=O)[C@@H]2CCCC[N@H+]2Cc2cccnc2)cc1 ZINC001332160595 961489453 /nfs/dbraw/zinc/48/94/53/961489453.db2.gz AHOVUKXENIUFLW-ZCNNSNEGSA-N 0 2 379.460 3.263 20 0 GGADLN CC[N@@H+]1CCc2nc3ccccc3c(C(=O)NCc3cc(C(=O)[O-])c(C)o3)c2C1 ZINC001332165147 961497816 /nfs/dbraw/zinc/49/78/16/961497816.db2.gz UJNNKOUXTKJVOL-UHFFFAOYSA-N 0 2 393.443 3.142 20 0 GGADLN CC[N@H+]1CCc2nc3ccccc3c(C(=O)NCc3cc(C(=O)[O-])c(C)o3)c2C1 ZINC001332165147 961497840 /nfs/dbraw/zinc/49/78/40/961497840.db2.gz UJNNKOUXTKJVOL-UHFFFAOYSA-N 0 2 393.443 3.142 20 0 GGADLN Cc1oc(C[N@@H+](C)Cc2cnc3ccc(Br)cn23)cc1C(=O)[O-] ZINC001334779309 961825905 /nfs/dbraw/zinc/82/59/05/961825905.db2.gz MNNAVSCDJDHDGK-UHFFFAOYSA-N 0 2 378.226 3.328 20 0 GGADLN Cc1oc(C[N@H+](C)Cc2cnc3ccc(Br)cn23)cc1C(=O)[O-] ZINC001334779309 961825923 /nfs/dbraw/zinc/82/59/23/961825923.db2.gz MNNAVSCDJDHDGK-UHFFFAOYSA-N 0 2 378.226 3.328 20 0 GGADLN O=C(/C=C/c1ccc(C(=O)[O-])o1)NCCN(Cc1ccccc1)c1cccc[nH+]1 ZINC001574514203 961835560 /nfs/dbraw/zinc/83/55/60/961835560.db2.gz WTIDGLBUNNOJOB-ZRDIBKRKSA-N 0 2 391.427 3.209 20 0 GGADLN CC[N@H+](CC(=O)N(C)Cc1cc(C(=O)[O-])c(C)o1)Cc1ccccc1Cl ZINC001339510095 962033931 /nfs/dbraw/zinc/03/39/31/962033931.db2.gz QAPNKTOTIDKSAH-UHFFFAOYSA-N 0 2 378.856 3.420 20 0 GGADLN CC[N@@H+](CC(=O)N(C)Cc1cc(C(=O)[O-])c(C)o1)Cc1ccccc1Cl ZINC001339510095 962033945 /nfs/dbraw/zinc/03/39/45/962033945.db2.gz QAPNKTOTIDKSAH-UHFFFAOYSA-N 0 2 378.856 3.420 20 0 GGADLN O=C([O-])[C@H]1C[C@@H](C(=O)NCc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)C1 ZINC001345133886 962240089 /nfs/dbraw/zinc/24/00/89/962240089.db2.gz SRHXFLWVVNFECF-BGYRXZFFSA-N 0 2 389.455 3.325 20 0 GGADLN O=C([O-])[C@@H](Sc1nnc(C[NH+]2CCCC2)n1-c1ccc(Cl)cc1)C1CC1 ZINC001574621912 962256914 /nfs/dbraw/zinc/25/69/14/962256914.db2.gz UJXRWYNTQXARGM-INIZCTEOSA-N 0 2 392.912 3.472 20 0 GGADLN CCOc1ccccc1C[N@@H+]1CCN(C(=O)c2ccc(C(=O)[O-])cc2)[C@H](C)C1 ZINC000263458215 962645941 /nfs/dbraw/zinc/64/59/41/962645941.db2.gz UZTLHDKLHDNFIM-MRXNPFEDSA-N 0 2 382.460 3.130 20 0 GGADLN CCOc1ccccc1C[N@H+]1CCN(C(=O)c2ccc(C(=O)[O-])cc2)[C@H](C)C1 ZINC000263458215 962646012 /nfs/dbraw/zinc/64/60/12/962646012.db2.gz UZTLHDKLHDNFIM-MRXNPFEDSA-N 0 2 382.460 3.130 20 0 GGADLN O=C([O-])CCCNC(=O)N(CCCn1cc[nH+]c1)Cc1c(F)cccc1Cl ZINC000263498415 962680634 /nfs/dbraw/zinc/68/06/34/962680634.db2.gz UNLSGPIEZAJYKL-UHFFFAOYSA-N 0 2 396.850 3.142 20 0 GGADLN C[C@H](C(=O)Nc1ccccc1C(=O)c1ccccc1)[NH+]1CCC(C(=O)[O-])CC1 ZINC000263579415 962745342 /nfs/dbraw/zinc/74/53/42/962745342.db2.gz UQXNLSMETMKBIV-OAHLLOKOSA-N 0 2 380.444 3.041 20 0 GGADLN COc1cc(C[N@@H+]2CCc3ccccc3[C@@H]2C(=O)[O-])c(Br)cn1 ZINC001574185305 962825618 /nfs/dbraw/zinc/82/56/18/962825618.db2.gz PUQCISXUHOUVGD-MRXNPFEDSA-N 0 2 377.238 3.037 20 0 GGADLN COc1cc(C[N@H+]2CCc3ccccc3[C@@H]2C(=O)[O-])c(Br)cn1 ZINC001574185305 962825632 /nfs/dbraw/zinc/82/56/32/962825632.db2.gz PUQCISXUHOUVGD-MRXNPFEDSA-N 0 2 377.238 3.037 20 0 GGADLN C[C@H](C(=O)[O-])[N@H+](CC(=O)N1CCc2sccc2[C@H]1c1ccccc1)C1CC1 ZINC000263211182 967862334 /nfs/dbraw/zinc/86/23/34/967862334.db2.gz 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GGADLN CCC[N@@H+](CC(=O)[O-])CC(=O)Nc1nc(C)c(Cc2ccc(C)cc2)s1 ZINC000455613315 968378219 /nfs/dbraw/zinc/37/82/19/968378219.db2.gz BVAXRUUPLKTOGQ-UHFFFAOYSA-N 0 2 375.494 3.086 20 0 GGADLN Cc1ccc2[nH+]c(CSCC(=O)N[C@H](C)[C@@H]3C[C@H](C(=O)[O-])C3(C)C)cn2c1 ZINC000594460941 968496169 /nfs/dbraw/zinc/49/61/69/968496169.db2.gz BNJPDTYSYSGMHP-VNQPRFMTSA-N 0 2 389.521 3.128 20 0 GGADLN O=C([O-])[C@@H]1CC[C@H](NC(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)C1 ZINC000646143155 968559686 /nfs/dbraw/zinc/55/96/86/968559686.db2.gz XHBKKEVEXRSSSK-WWGRRREGSA-N 0 2 397.878 3.169 20 0 GGADLN O=C([O-])[C@@H]1CC(=O)N(C2CC[NH+](Cc3csc(C4CCCCC4)n3)CC2)C1 ZINC000650499607 968599484 /nfs/dbraw/zinc/59/94/84/968599484.db2.gz XBNKHULGCQDEIT-OAHLLOKOSA-N 0 2 391.537 3.088 20 0 GGADLN Cn1c(C[N@H+]2Cc3ccccc3[C@@H](C(=O)[O-])C2)nnc1-c1ccc(Cl)cc1 ZINC000652470450 968634052 /nfs/dbraw/zinc/63/40/52/968634052.db2.gz XSVJXUPKPAAPTG-KRWDZBQOSA-N 0 2 382.851 3.320 20 0 GGADLN 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ZINC000663110620 968815611 /nfs/dbraw/zinc/81/56/11/968815611.db2.gz GMZJFYJTRQBRDR-KRWDZBQOSA-N 0 2 398.425 3.241 20 0 GGADLN COc1cccc([C@@H](C)[NH+]2CCN(C(=O)Nc3cccc(CC(=O)[O-])c3)CC2)c1 ZINC000738113776 969139857 /nfs/dbraw/zinc/13/98/57/969139857.db2.gz BGLOJQAPWYZIBD-MRXNPFEDSA-N 0 2 397.475 3.233 20 0 GGADLN CC[C@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)NCC(CC)(CC)C(=O)[O-])CC1 ZINC000874404663 969383723 /nfs/dbraw/zinc/38/37/23/969383723.db2.gz HWMYEQDPHPPROI-GOSISDBHSA-N 0 2 393.503 3.495 20 0 GGADLN C[C@@H](c1cccc(NC(=O)N2CCCC[C@@H]2CCC(=O)[O-])c1)[NH+]1CCOCC1 ZINC000899310151 969418159 /nfs/dbraw/zinc/41/81/59/969418159.db2.gz ASCFNEVSJYJFJN-QFBILLFUSA-N 0 2 389.496 3.331 20 0 GGADLN C[C@H](c1cccc(NC(=O)N2CCCC[C@H]2CCC(=O)[O-])c1)[NH+]1CCOCC1 ZINC000899310149 969418167 /nfs/dbraw/zinc/41/81/67/969418167.db2.gz ASCFNEVSJYJFJN-APWZRJJASA-N 0 2 389.496 3.331 20 0 GGADLN CN(C)C[C@@H]([NH2+]Cc1ccc(N2CCC(C(=O)[O-])CC2)o1)c1ccc(F)cc1 ZINC000904240648 969603215 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PSFPEWVMNQKWIA-OQBYNLHGSA-N 0 2 379.416 3.362 20 0 GGADLN O=C([O-])[C@H]1c2ccccc2CCN1C(=O)[C@H]1CC[C@@H](Nc2cccc[nH+]2)CC1 ZINC001606056246 973167274 /nfs/dbraw/zinc/16/72/74/973167274.db2.gz PQGJTXJVMNHISO-FUHIMQAGSA-N 0 2 379.460 3.263 20 0 GGADLN Cc1cccc([C@H](NC(=O)c2cccc(CNc3cc[nH+]c(C)n3)c2)C(=O)[O-])c1 ZINC001605328007 973175344 /nfs/dbraw/zinc/17/53/44/973175344.db2.gz JONKLFFGRWGYNG-FQEVSTJZSA-N 0 2 390.443 3.261 20 0 GGADLN O=C([O-])CC[C@@H]1C[C@@H](C(=O)Nc2ccccc2-c2[nH+]cc3n2CCCC3)CO1 ZINC001606112000 973328541 /nfs/dbraw/zinc/32/85/41/973328541.db2.gz RITGUJPWCJFJIY-GDBMZVCRSA-N 0 2 383.448 3.095 20 0 GGADLN CC[C@H](C(=O)OC(C)(C)C)[N@H+](C)Cc1ccc(N2CCC[C@H](C(=O)[O-])C2)o1 ZINC001603504592 973479684 /nfs/dbraw/zinc/47/96/84/973479684.db2.gz DPEPSGDFEFWQAQ-GOEBONIOSA-N 0 2 380.485 3.133 20 0 GGADLN CC[C@H](C(=O)OC(C)(C)C)[N@@H+](C)Cc1ccc(N2CCC[C@H](C(=O)[O-])C2)o1 ZINC001603504592 973479688 /nfs/dbraw/zinc/47/96/88/973479688.db2.gz DPEPSGDFEFWQAQ-GOEBONIOSA-N 0 2 380.485 3.133 20 0 GGADLN CCC(CC)(C(=O)[O-])C(=O)NCCc1cn(Cc2ccc(Cl)cc2)c[nH+]1 ZINC001603522187 973551699 /nfs/dbraw/zinc/55/16/99/973551699.db2.gz FGBSKAMHMRSGPY-UHFFFAOYSA-N 0 2 377.872 3.135 20 0 GGADLN Cn1cc([C@@H]([NH2+]Cc2ccc(N3CCC[C@@H](C(=O)[O-])C3)o2)c2ccccc2)cn1 ZINC001605484340 973610502 /nfs/dbraw/zinc/61/05/02/973610502.db2.gz XGCUQEJOOXQNCF-UTKZUKDTSA-N 0 2 394.475 3.193 20 0 GGADLN O=C([O-])COc1ccc(C(=O)N[C@@H]2CCc3[nH+]c(C4CCCCC4)[nH]c3C2)cc1 ZINC001606287090 973688997 /nfs/dbraw/zinc/68/89/97/973688997.db2.gz TXDDQRHTGIYMME-MRXNPFEDSA-N 0 2 397.475 3.208 20 0 GGADLN O=C([O-])COc1ccc(C(=O)N[C@@H]2CCc3[nH]c(C4CCCCC4)[nH+]c3C2)cc1 ZINC001606287090 973689002 /nfs/dbraw/zinc/68/90/02/973689002.db2.gz TXDDQRHTGIYMME-MRXNPFEDSA-N 0 2 397.475 3.208 20 0 GGADLN CC[C@@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)Nc2cc(C(=O)[O-])ccn2)CC1 ZINC001603592863 973794820 /nfs/dbraw/zinc/79/48/20/973794820.db2.gz VOJXUMJSZMZZCC-KRWDZBQOSA-N 0 2 386.427 3.220 20 0 GGADLN O=C([O-])c1ccccc1OCC[N@@H+]1CCc2nc[nH]c2[C@H]1c1ccc(F)cc1 ZINC001606528712 974038616 /nfs/dbraw/zinc/03/86/16/974038616.db2.gz GYAFBVVQBWNNLQ-HXUWFJFHSA-N 0 2 381.407 3.274 20 0 GGADLN O=C([O-])c1ccccc1OCC[N@H+]1CCc2nc[nH]c2[C@H]1c1ccc(F)cc1 ZINC001606528712 974038627 /nfs/dbraw/zinc/03/86/27/974038627.db2.gz GYAFBVVQBWNNLQ-HXUWFJFHSA-N 0 2 381.407 3.274 20 0 GGADLN CC[N@H+](CC(=O)N1N=C(c2ccc(C)cc2)C[C@@H]1c1ccco1)[C@@H](C)C(=O)[O-] ZINC001603724724 974162468 /nfs/dbraw/zinc/16/24/68/974162468.db2.gz UFRQTLRISWEWMH-MAUKXSAKSA-N 0 2 383.448 3.061 20 0 GGADLN CC[N@@H+](CC(=O)N1N=C(c2ccc(C)cc2)C[C@@H]1c1ccco1)[C@@H](C)C(=O)[O-] ZINC001603724724 974162471 /nfs/dbraw/zinc/16/24/71/974162471.db2.gz UFRQTLRISWEWMH-MAUKXSAKSA-N 0 2 383.448 3.061 20 0 GGADLN CS(=O)(=O)c1ccc(C[NH+]2CCC(Cc3ccccc3C(=O)[O-])CC2)cc1 ZINC000517588799 974319396 /nfs/dbraw/zinc/31/93/96/974319396.db2.gz QUAVHQIKSABHHK-UHFFFAOYSA-N 0 2 387.501 3.243 20 0 GGADLN CC(C)Cc1ccc(C(=O)C2CC[NH+](Cc3cnc(C(=O)[O-])cn3)CC2)cc1 ZINC000530161006 974358214 /nfs/dbraw/zinc/35/82/14/974358214.db2.gz HLZMAPNBQUBLGQ-UHFFFAOYSA-N 0 2 381.476 3.468 20 0 GGADLN CCOc1ccc(C[NH+]2CCN(C(=O)Nc3ccccc3C(=O)[O-])CC2)cc1 ZINC001603861696 974365460 /nfs/dbraw/zinc/36/54/60/974365460.db2.gz ZMVSBCNETOOVNV-UHFFFAOYSA-N 0 2 383.448 3.133 20 0 GGADLN O=C([O-])c1ccc(OC[C@@H](O)C[N@H+](Cc2c(F)cccc2F)C2CC2)cc1 ZINC000583505020 974942323 /nfs/dbraw/zinc/94/23/23/974942323.db2.gz OSYRPVXUZFAMKM-HNNXBMFYSA-N 0 2 377.387 3.067 20 0 GGADLN O=C([O-])c1ccc(OC[C@@H](O)C[N@@H+](Cc2c(F)cccc2F)C2CC2)cc1 ZINC000583505020 974942327 /nfs/dbraw/zinc/94/23/27/974942327.db2.gz OSYRPVXUZFAMKM-HNNXBMFYSA-N 0 2 377.387 3.067 20 0 GGADLN O=C([O-])c1cnc(C2CC[NH+](Cc3nccn3Cc3ccccc3)CC2)s1 ZINC000629366896 975085497 /nfs/dbraw/zinc/08/54/97/975085497.db2.gz AVBJXXYUBRXZKY-UHFFFAOYSA-N 0 2 382.489 3.466 20 0 GGADLN O=C([O-])[C@@H](Cc1ccccc1)NC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC000630097465 975099316 /nfs/dbraw/zinc/09/93/16/975099316.db2.gz YIHJFXBXZRNGIA-RTBURBONSA-N 0 2 386.879 3.117 20 0 GGADLN O=C([O-])[C@@H](Cc1ccccc1)NC(=O)[C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1 ZINC000630097465 975099320 /nfs/dbraw/zinc/09/93/20/975099320.db2.gz YIHJFXBXZRNGIA-RTBURBONSA-N 0 2 386.879 3.117 20 0 GGADLN O=C([O-])COc1ccc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)cc1 ZINC000630156515 975133579 /nfs/dbraw/zinc/13/35/79/975133579.db2.gz HOEDPSVMSKIGLZ-SFHVURJKSA-N 0 2 388.851 3.407 20 0 GGADLN O=C([O-])COc1ccc(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)cc1 ZINC000630156515 975133584 /nfs/dbraw/zinc/13/35/84/975133584.db2.gz HOEDPSVMSKIGLZ-SFHVURJKSA-N 0 2 388.851 3.407 20 0 GGADLN COc1cccc([C@H](C(=O)[O-])N2CC[NH+](Cc3cc4ccccc4[nH]3)CC2)c1 ZINC000634693089 975273114 /nfs/dbraw/zinc/27/31/14/975273114.db2.gz PYVCIRWYAIFLCC-OAQYLSRUSA-N 0 2 379.460 3.120 20 0 GGADLN Cc1c2ccccc2sc1C(=O)N1CCN(c2ccc(C(=O)[O-])c[nH+]2)CC1 ZINC000647450163 975362431 /nfs/dbraw/zinc/36/24/31/975362431.db2.gz CLXCWJZKNKPULZ-UHFFFAOYSA-N 0 2 381.457 3.265 20 0 GGADLN CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(C(=O)[O-])cn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000647739607 975375536 /nfs/dbraw/zinc/37/55/36/975375536.db2.gz JXMOWZYZYLJKPQ-WBVHZDCISA-N 0 2 391.830 3.138 20 0 GGADLN CC[N@H+]1CC[C@@H](NC(=O)c2ccc(C(=O)[O-])cn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000647739607 975375545 /nfs/dbraw/zinc/37/55/45/975375545.db2.gz JXMOWZYZYLJKPQ-WBVHZDCISA-N 0 2 391.830 3.138 20 0 GGADLN CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(C(=O)[O-])cn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000647739605 975375931 /nfs/dbraw/zinc/37/59/31/975375931.db2.gz JXMOWZYZYLJKPQ-NVXWUHKLSA-N 0 2 391.830 3.138 20 0 GGADLN CC[N@H+]1CC[C@@H](NC(=O)c2ccc(C(=O)[O-])cn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000647739605 975375935 /nfs/dbraw/zinc/37/59/35/975375935.db2.gz JXMOWZYZYLJKPQ-NVXWUHKLSA-N 0 2 391.830 3.138 20 0 GGADLN CC[N@@H+]1CC[C@H](NC(=O)c2ccc(C(=O)[O-])cn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000647739606 975376119 /nfs/dbraw/zinc/37/61/19/975376119.db2.gz JXMOWZYZYLJKPQ-RDJZCZTQSA-N 0 2 391.830 3.138 20 0 GGADLN CC[N@H+]1CC[C@H](NC(=O)c2ccc(C(=O)[O-])cn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000647739606 975376126 /nfs/dbraw/zinc/37/61/26/975376126.db2.gz JXMOWZYZYLJKPQ-RDJZCZTQSA-N 0 2 391.830 3.138 20 0 GGADLN C[N@H+](Cc1c(Cl)cccc1C(=O)[O-])[C@H]1CCN(c2ccccc2F)C1=O ZINC000652413810 975526070 /nfs/dbraw/zinc/52/60/70/975526070.db2.gz PRSLHTUDULFELI-KRWDZBQOSA-N 0 2 376.815 3.415 20 0 GGADLN C[N@@H+](Cc1c(Cl)cccc1C(=O)[O-])[C@H]1CCN(c2ccccc2F)C1=O ZINC000652413810 975526080 /nfs/dbraw/zinc/52/60/80/975526080.db2.gz PRSLHTUDULFELI-KRWDZBQOSA-N 0 2 376.815 3.415 20 0 GGADLN CC(C)Oc1c(NC(=O)NCC[NH+]2Cc3ccccc3C2)cccc1C(=O)[O-] ZINC001591746218 975779778 /nfs/dbraw/zinc/77/97/78/975779778.db2.gz AZCICKWPDHHSGQ-UHFFFAOYSA-N 0 2 383.448 3.309 20 0 GGADLN O=C([O-])[C@@H]1CC[C@@H](c2ccccc2)[N@@H+]1Cc1ccc(OCC(F)(F)F)nn1 ZINC000659793999 975883079 /nfs/dbraw/zinc/88/30/79/975883079.db2.gz FMGLAENXFMSKCH-GJZGRUSLSA-N 0 2 381.354 3.208 20 0 GGADLN O=C([O-])[C@@H]1CC[C@@H](c2ccccc2)[N@H+]1Cc1ccc(OCC(F)(F)F)nn1 ZINC000659793999 975883092 /nfs/dbraw/zinc/88/30/92/975883092.db2.gz FMGLAENXFMSKCH-GJZGRUSLSA-N 0 2 381.354 3.208 20 0 GGADLN CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)c1cc(-n2cc[nH+]c2)ccc1O ZINC001591769540 975893465 /nfs/dbraw/zinc/89/34/65/975893465.db2.gz NMADQFWAQKQQLI-UHFFFAOYSA-N 0 2 381.388 3.316 20 0 GGADLN O=C([O-])[C@H]1C[N@H+](CC(=O)Nc2ccccc2C(F)(F)F)Cc2ccccc21 ZINC000662220995 975900495 /nfs/dbraw/zinc/90/04/95/975900495.db2.gz BOZCODRENOLBSU-AWEZNQCLSA-N 0 2 378.350 3.328 20 0 GGADLN O=C([O-])[C@H]1C[N@@H+](CC(=O)Nc2ccccc2C(F)(F)F)Cc2ccccc21 ZINC000662220995 975900502 /nfs/dbraw/zinc/90/05/02/975900502.db2.gz BOZCODRENOLBSU-AWEZNQCLSA-N 0 2 378.350 3.328 20 0 GGADLN C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)c2cccc(OCC(=O)[O-])c2)C[C@H](C)O1 ZINC000663113052 975924754 /nfs/dbraw/zinc/92/47/54/975924754.db2.gz SHRXNMHEXQMZED-IYBDPMFKSA-N 0 2 398.459 3.012 20 0 GGADLN C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)c2cccc(OCC(=O)[O-])c2)C[C@H](C)O1 ZINC000663113052 975924758 /nfs/dbraw/zinc/92/47/58/975924758.db2.gz SHRXNMHEXQMZED-IYBDPMFKSA-N 0 2 398.459 3.012 20 0 GGADLN C[C@H]1C[NH+](Cc2ccccc2NC(=O)c2cccc(OCC(=O)[O-])c2)C[C@H](C)O1 ZINC000663113050 975924800 /nfs/dbraw/zinc/92/48/00/975924800.db2.gz SHRXNMHEXQMZED-HOTGVXAUSA-N 0 2 398.459 3.012 20 0 GGADLN CC[N@@H+]1CC[C@H](NC(=O)NCCCCC(=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000666539753 975967406 /nfs/dbraw/zinc/96/74/06/975967406.db2.gz ZAPSXPFBPZTGED-DOTOQJQBSA-N 0 2 385.867 3.169 20 0 GGADLN CC[N@H+]1CC[C@H](NC(=O)NCCCCC(=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000666539753 975967413 /nfs/dbraw/zinc/96/74/13/975967413.db2.gz ZAPSXPFBPZTGED-DOTOQJQBSA-N 0 2 385.867 3.169 20 0 GGADLN CC(C)Oc1ccc(NC(=O)c2cc(-n3cc[nH+]c3)ccc2O)c(C(=O)[O-])c1 ZINC001591788057 975967393 /nfs/dbraw/zinc/96/73/93/975967393.db2.gz LRARKRIMFITYLP-UHFFFAOYSA-N 0 2 381.388 3.316 20 0 GGADLN CC(C)c1noc([C@@H](C)[N@@H+]2C[C@H](C(=O)OC(C)(C)C)C3(CC(C(=O)[O-])C3)C2)n1 ZINC001592093839 976850216 /nfs/dbraw/zinc/85/02/16/976850216.db2.gz UTTKLQGICKBJAL-ZMNLLHDNSA-N 0 2 393.484 3.009 20 0 GGADLN CC(C)c1noc([C@@H](C)[N@H+]2C[C@H](C(=O)OC(C)(C)C)C3(CC(C(=O)[O-])C3)C2)n1 ZINC001592093839 976850221 /nfs/dbraw/zinc/85/02/21/976850221.db2.gz UTTKLQGICKBJAL-ZMNLLHDNSA-N 0 2 393.484 3.009 20 0 GGADLN C[C@H](C1CC1)N(C(=O)C[NH2+][C@@H](C(=O)[O-])c1ccc(C(F)(F)F)cc1)C1CC1 ZINC001592178665 977084843 /nfs/dbraw/zinc/08/48/43/977084843.db2.gz RWAIHYMGNMTCKI-PIGZYNQJSA-N 0 2 384.398 3.210 20 0 GGADLN C[C@H](CC(=O)Nc1cccc(C(=O)[O-])c1)[NH2+]c1ccc(N2CCOC[C@H]2C)cc1 ZINC001592274164 977546986 /nfs/dbraw/zinc/54/69/86/977546986.db2.gz KSVAZVFAVUWRAE-HZPDHXFCSA-N 0 2 397.475 3.439 20 0 GGADLN C[C@](CC(=O)[O-])([NH2+]Cc1nc(Cl)ccc1Br)c1ccncc1 ZINC001592329454 977758601 /nfs/dbraw/zinc/75/86/01/977758601.db2.gz IJMXBTUKWJNKJQ-OAHLLOKOSA-N 0 2 384.661 3.372 20 0 GGADLN CCc1[nH]c(C(=O)N2CC[NH+]([C@@H](C)c3cccc(F)c3)CC2)c(C)c1C(=O)[O-] ZINC000737242116 978390856 /nfs/dbraw/zinc/39/08/56/978390856.db2.gz PUDQUMWHWBWOAM-AWEZNQCLSA-N 0 2 387.455 3.242 20 0 GGADLN C[C@H](CN(Cc1ccccc1)C(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F)C(=O)[O-] ZINC001592602200 978538926 /nfs/dbraw/zinc/53/89/26/978538926.db2.gz KJFSSOBXKUZPIB-HIFRSBDPSA-N 0 2 383.370 3.126 20 0 GGADLN Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000738598644 978570737 /nfs/dbraw/zinc/57/07/37/978570737.db2.gz VPXMLHFZDHOWEX-UHFFFAOYSA-N 0 2 382.460 3.097 20 0 GGADLN COC[C@]1(C(=O)[O-])CCC[N@@H+]1Cc1nc2ccc(Br)cc2s1 ZINC000818629725 978922173 /nfs/dbraw/zinc/92/21/73/978922173.db2.gz KMPJNPXKZABJKD-HNNXBMFYSA-N 0 2 385.283 3.124 20 0 GGADLN COC[C@]1(C(=O)[O-])CCC[N@H+]1Cc1nc2ccc(Br)cc2s1 ZINC000818629725 978922175 /nfs/dbraw/zinc/92/21/75/978922175.db2.gz KMPJNPXKZABJKD-HNNXBMFYSA-N 0 2 385.283 3.124 20 0 GGADLN O=C([O-])[C@H](c1ccccc1F)[NH+]1CCC(c2nc(-c3ccccn3)no2)CC1 ZINC000833171522 979106208 /nfs/dbraw/zinc/10/62/08/979106208.db2.gz BFSLIXFLZIIYDC-KRWDZBQOSA-N 0 2 382.395 3.276 20 0 GGADLN O=C([O-])[C@H](c1ccccc1F)[NH+]1CCN(C(=O)c2ccc(Cl)cc2F)CC1 ZINC000833174194 979107781 /nfs/dbraw/zinc/10/77/81/979107781.db2.gz MOOWFXWZAHJWFM-KRWDZBQOSA-N 0 2 394.805 3.202 20 0 GGADLN O=C([O-])C[C@H]1CCCN1C(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000833210737 979117780 /nfs/dbraw/zinc/11/77/80/979117780.db2.gz PFHPRAOAISOFGT-CZUORRHYSA-N 0 2 397.878 3.265 20 0 GGADLN O=C([O-])Cc1ccccc1C[N@@H+]1CCOc2cccc(Br)c2C1 ZINC000848712083 979476357 /nfs/dbraw/zinc/47/63/57/979476357.db2.gz CRIKNPLSWVRXHD-UHFFFAOYSA-N 0 2 376.250 3.471 20 0 GGADLN O=C([O-])Cc1ccccc1C[N@H+]1CCOc2cccc(Br)c2C1 ZINC000848712083 979476364 /nfs/dbraw/zinc/47/63/64/979476364.db2.gz CRIKNPLSWVRXHD-UHFFFAOYSA-N 0 2 376.250 3.471 20 0 GGADLN C[C@@H](Cc1ccc(NC(=O)NC2CCN(c3cccc[nH+]3)CC2)cc1)C(=O)[O-] ZINC001592867988 979717594 /nfs/dbraw/zinc/71/75/94/979717594.db2.gz UMKNYZIFTAXGBR-HNNXBMFYSA-N 0 2 382.464 3.135 20 0 GGADLN CC[C@](COC)([NH2+]Cc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)C(=O)[O-] ZINC001595199325 979938680 /nfs/dbraw/zinc/93/86/80/979938680.db2.gz AWMLMAUIJSWLCM-LJQANCHMSA-N 0 2 387.461 3.033 20 0 GGADLN Cc1ccc(S(=O)(=O)C2CC[NH+]([C@@H](C(=O)[O-])c3ccccc3F)CC2)cc1 ZINC000872165392 980059821 /nfs/dbraw/zinc/05/98/21/980059821.db2.gz DMYQULAZESKSRM-LJQANCHMSA-N 0 2 391.464 3.198 20 0 GGADLN C[C@@H](NC(=O)[C@@H](C)[N@H+](C)Cc1ccc(C(=O)[O-])cn1)c1ccc2c(c1)CCCC2 ZINC001592989261 980171736 /nfs/dbraw/zinc/17/17/36/980171736.db2.gz CSBHIMJGRIVALF-HZPDHXFCSA-N 0 2 395.503 3.356 20 0 GGADLN C[C@@H](NC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(C(=O)[O-])cn1)c1ccc2c(c1)CCCC2 ZINC001592989261 980171737 /nfs/dbraw/zinc/17/17/37/980171737.db2.gz CSBHIMJGRIVALF-HZPDHXFCSA-N 0 2 395.503 3.356 20 0 GGADLN C[C@@H](NC(=O)[C@H](C)[N@H+](C)Cc1ccc(C(=O)[O-])cn1)c1ccc2c(c1)CCCC2 ZINC001592989259 980171855 /nfs/dbraw/zinc/17/18/55/980171855.db2.gz CSBHIMJGRIVALF-CVEARBPZSA-N 0 2 395.503 3.356 20 0 GGADLN C[C@@H](NC(=O)[C@H](C)[N@@H+](C)Cc1ccc(C(=O)[O-])cn1)c1ccc2c(c1)CCCC2 ZINC001592989259 980171858 /nfs/dbraw/zinc/17/18/58/980171858.db2.gz CSBHIMJGRIVALF-CVEARBPZSA-N 0 2 395.503 3.356 20 0 GGADLN C[C@H](C(=O)N[C@@H](C)c1cc2ccccc2o1)[N@H+](C)Cc1ccc(C(=O)[O-])cn1 ZINC001592990299 980177985 /nfs/dbraw/zinc/17/79/85/980177985.db2.gz PQKOQXDHSADTIH-UONOGXRCSA-N 0 2 381.432 3.224 20 0 GGADLN C[C@H](C(=O)N[C@@H](C)c1cc2ccccc2o1)[N@@H+](C)Cc1ccc(C(=O)[O-])cn1 ZINC001592990299 980177986 /nfs/dbraw/zinc/17/79/86/980177986.db2.gz PQKOQXDHSADTIH-UONOGXRCSA-N 0 2 381.432 3.224 20 0 GGADLN C[C@H](NC(=O)[C@H](C)[N@H+](C)Cc1ccc(C(=O)[O-])cn1)c1cc2ccccc2o1 ZINC001592990297 980178084 /nfs/dbraw/zinc/17/80/84/980178084.db2.gz PQKOQXDHSADTIH-KBPBESRZSA-N 0 2 381.432 3.224 20 0 GGADLN C[C@H](NC(=O)[C@H](C)[N@@H+](C)Cc1ccc(C(=O)[O-])cn1)c1cc2ccccc2o1 ZINC001592990297 980178087 /nfs/dbraw/zinc/17/80/87/980178087.db2.gz PQKOQXDHSADTIH-KBPBESRZSA-N 0 2 381.432 3.224 20 0 GGADLN C[C@H](NC(=O)C[NH2+][C@H](C(=O)[O-])c1ccc(C(F)(F)F)cc1)c1ccc(F)cc1 ZINC001593027724 980293378 /nfs/dbraw/zinc/29/33/78/980293378.db2.gz HVAMPEBLCVYYMR-GTNSWQLSSA-N 0 2 398.356 3.437 20 0 GGADLN C[C@H](NC(=O)C[NH2+][C@@H](C(=O)[O-])c1ccc(C(F)(F)F)cc1)c1ccc(F)cc1 ZINC001593027722 980293817 /nfs/dbraw/zinc/29/38/17/980293817.db2.gz HVAMPEBLCVYYMR-APPDUMDISA-N 0 2 398.356 3.437 20 0 GGADLN CC[C@]([NH2+]CC(=O)N1CCC(c2ccccc2)=N1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595282075 980341093 /nfs/dbraw/zinc/34/10/93/980341093.db2.gz CVKUEUGFBDQWHQ-OAQYLSRUSA-N 0 2 399.878 3.256 20 0 GGADLN CC[C@]([NH2+]CC(=O)NCc1cc(F)cc(F)c1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595287030 980366100 /nfs/dbraw/zinc/36/61/00/980366100.db2.gz KZVHSHULLJTSBA-LJQANCHMSA-N 0 2 396.821 3.214 20 0 GGADLN CC[C@H]([NH2+]CC(=O)Nc1sc2c(c1C(=O)[O-])CCCC2)c1nccs1 ZINC001595287000 980366436 /nfs/dbraw/zinc/36/64/36/980366436.db2.gz KJMVFXDFQAICEX-NSHDSACASA-N 0 2 379.507 3.461 20 0 GGADLN CC[C@]([NH2+]CC(=O)Nc1cccnc1Cl)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595288023 980372841 /nfs/dbraw/zinc/37/28/41/980372841.db2.gz ZIACSDHGWAKHDT-QGZVFWFLSA-N 0 2 382.247 3.307 20 0 GGADLN CCOc1ccccc1C[N@@H+]1CCN(C(=O)/C=C\c2ccc(C(=O)[O-])o2)[C@H](C)C1 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RTPKQHRMCWRPIS-UHFFFAOYSA-N 0 2 383.492 3.234 20 0 GGADLN CC[N@H+]1CCc2nc3ccccc3c(C(=O)NCC(CC)(CC)C(=O)[O-])c2C1 ZINC000909383372 981478391 /nfs/dbraw/zinc/47/83/91/981478391.db2.gz RTPKQHRMCWRPIS-UHFFFAOYSA-N 0 2 383.492 3.234 20 0 GGADLN CCC[C@H](C)[N@@H+]1Cc2cccc(NS(=O)(=O)c3c[nH]c(C(=O)[O-])c3)c2C1 ZINC001595580324 981516080 /nfs/dbraw/zinc/51/60/80/981516080.db2.gz DSHDFLMIWRWKMD-LBPRGKRZSA-N 0 2 377.466 3.018 20 0 GGADLN CCC[C@H](C)[N@H+]1Cc2cccc(NS(=O)(=O)c3c[nH]c(C(=O)[O-])c3)c2C1 ZINC001595580324 981516082 /nfs/dbraw/zinc/51/60/82/981516082.db2.gz DSHDFLMIWRWKMD-LBPRGKRZSA-N 0 2 377.466 3.018 20 0 GGADLN CCC[C@@H](C)[N@@H+]1Cc2cccc(NS(=O)(=O)c3c[nH]c(C(=O)[O-])c3)c2C1 ZINC001595580323 981516142 /nfs/dbraw/zinc/51/61/42/981516142.db2.gz DSHDFLMIWRWKMD-GFCCVEGCSA-N 0 2 377.466 3.018 20 0 GGADLN CCC[C@@H](C)[N@H+]1Cc2cccc(NS(=O)(=O)c3c[nH]c(C(=O)[O-])c3)c2C1 ZINC001595580323 981516144 /nfs/dbraw/zinc/51/61/44/981516144.db2.gz DSHDFLMIWRWKMD-GFCCVEGCSA-N 0 2 377.466 3.018 20 0 GGADLN CCC[C@H](C)[N@@H+]1Cc2cccc(NS(=O)(=O)c3cc(C(=O)[O-])n(C)c3)c2C1 ZINC001595580298 981516297 /nfs/dbraw/zinc/51/62/97/981516297.db2.gz DGNCRVDZPWVNPO-ZDUSSCGKSA-N 0 2 391.493 3.028 20 0 GGADLN CCC[C@H](C)[N@H+]1Cc2cccc(NS(=O)(=O)c3cc(C(=O)[O-])n(C)c3)c2C1 ZINC001595580298 981516300 /nfs/dbraw/zinc/51/63/00/981516300.db2.gz DGNCRVDZPWVNPO-ZDUSSCGKSA-N 0 2 391.493 3.028 20 0 GGADLN CCC[C@@]1(CO)CC[N@H+](CC(=O)Nc2c(Cl)cc(Cl)cc2C(=O)[O-])C1 ZINC001595618111 981661594 /nfs/dbraw/zinc/66/15/94/981661594.db2.gz LNHXXHDAUMDQNE-QGZVFWFLSA-N 0 2 389.279 3.115 20 0 GGADLN CCC[C@@]1(CO)CC[N@@H+](CC(=O)Nc2c(Cl)cc(Cl)cc2C(=O)[O-])C1 ZINC001595618111 981661596 /nfs/dbraw/zinc/66/15/96/981661596.db2.gz LNHXXHDAUMDQNE-QGZVFWFLSA-N 0 2 389.279 3.115 20 0 GGADLN CCC[C@H]1C(=O)NCC[N@H+]1Cc1ccccc1OCc1ccc(C(=O)[O-])cc1 ZINC001595620220 981686877 /nfs/dbraw/zinc/68/68/77/981686877.db2.gz ZRWIFHNQRANJTQ-IBGZPJMESA-N 0 2 382.460 3.064 20 0 GGADLN CCC[C@H]1C(=O)NCC[N@@H+]1Cc1ccccc1OCc1ccc(C(=O)[O-])cc1 ZINC001595620220 981686880 /nfs/dbraw/zinc/68/68/80/981686880.db2.gz ZRWIFHNQRANJTQ-IBGZPJMESA-N 0 2 382.460 3.064 20 0 GGADLN CC[N@H+](CC(=O)N1CCc2cccc(C(=O)[O-])c2C1)Cc1ccccc1Cl ZINC000909866125 981689401 /nfs/dbraw/zinc/68/94/01/981689401.db2.gz QBPANFSXFUGGJA-UHFFFAOYSA-N 0 2 386.879 3.445 20 0 GGADLN CC[N@@H+](CC(=O)N1CCc2cccc(C(=O)[O-])c2C1)Cc1ccccc1Cl ZINC000909866125 981689407 /nfs/dbraw/zinc/68/94/07/981689407.db2.gz QBPANFSXFUGGJA-UHFFFAOYSA-N 0 2 386.879 3.445 20 0 GGADLN C[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)c1ncc(C(=O)[O-])s1 ZINC000910159809 981768409 /nfs/dbraw/zinc/76/84/09/981768409.db2.gz KRPCEDHVJRPAPF-IUODEOHRSA-N 0 2 391.468 3.212 20 0 GGADLN C[C@@H](NC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1)c1ncc(C(=O)[O-])s1 ZINC000910159809 981768413 /nfs/dbraw/zinc/76/84/13/981768413.db2.gz KRPCEDHVJRPAPF-IUODEOHRSA-N 0 2 391.468 3.212 20 0 GGADLN COc1cccc([C@H](C)[NH+]2CCN(C(=O)c3ccc(C(=O)[O-])cc3F)CC2)c1 ZINC000910683953 982060483 /nfs/dbraw/zinc/06/04/83/982060483.db2.gz KLXFQOPERXIXEP-AWEZNQCLSA-N 0 2 386.423 3.052 20 0 GGADLN COc1cccc([C@@H](C)[NH+]2CCN(C(=O)c3ccc(C(=O)[O-])cc3F)CC2)c1 ZINC000910683954 982061107 /nfs/dbraw/zinc/06/11/07/982061107.db2.gz KLXFQOPERXIXEP-CQSZACIVSA-N 0 2 386.423 3.052 20 0 GGADLN Cc1sc([C@@H]2CCCN2C(=O)Cc2ccc(-n3cc[nH+]c3)cc2)nc1C(=O)[O-] ZINC000910719034 982080728 /nfs/dbraw/zinc/08/07/28/982080728.db2.gz QDCUCZXNIPOVNW-INIZCTEOSA-N 0 2 396.472 3.242 20 0 GGADLN CCC(CC)[C@H](C(=O)Nc1ccc(SC)c(C(=O)[O-])c1)[NH+]1CCOCC1 ZINC000910947703 982172715 /nfs/dbraw/zinc/17/27/15/982172715.db2.gz KDQVWMKBWJNHOP-QGZVFWFLSA-N 0 2 380.510 3.182 20 0 GGADLN CC(C)c1ccc(C[NH+]2CCN(C(=O)C34CCC(C(=O)[O-])(CC3)C4)CC2)cc1 ZINC000911110390 982244428 /nfs/dbraw/zinc/24/44/28/982244428.db2.gz YSQFNHIVRBCBMY-UHFFFAOYSA-N 0 2 384.520 3.489 20 0 GGADLN CCOc1ccc(C[NH+]2CCN(C(=O)c3ccc(C)c(C(=O)[O-])c3)CC2)cc1 ZINC000911133446 982253408 /nfs/dbraw/zinc/25/34/08/982253408.db2.gz ZIJHYDSUSCTAMW-UHFFFAOYSA-N 0 2 382.460 3.050 20 0 GGADLN C[C@H](Sc1ccccc1C(=O)NCc1cc[nH+]c(N2CCCC2)c1)C(=O)[O-] ZINC000911151977 982261362 /nfs/dbraw/zinc/26/13/62/982261362.db2.gz MEEMTGUQKQHRSM-AWEZNQCLSA-N 0 2 385.489 3.177 20 0 GGADLN O=C([O-])c1coc(C(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)c1 ZINC000911189789 982275942 /nfs/dbraw/zinc/27/59/42/982275942.db2.gz AHRBDQWTYAETFI-AWEZNQCLSA-N 0 2 380.803 3.337 20 0 GGADLN O=C([O-])c1cccc(C(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)n1 ZINC000911192649 982278097 /nfs/dbraw/zinc/27/80/97/982278097.db2.gz XLMJERDPLSZDTE-MRXNPFEDSA-N 0 2 391.830 3.139 20 0 GGADLN C[C@H]1C[NH+](Cc2ccccc2NC(=O)c2cccc(CC(=O)[O-])c2)C[C@H](C)O1 ZINC000911204607 982282670 /nfs/dbraw/zinc/28/26/70/982282670.db2.gz AXSCJLPYASRLMR-HOTGVXAUSA-N 0 2 382.460 3.175 20 0 GGADLN C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)c2ccc(/C=C/C(=O)[O-])o2)C[C@H](C)O1 ZINC000911205911 982284198 /nfs/dbraw/zinc/28/41/98/982284198.db2.gz IBFSKMCWADRUBK-DNLDOLJFSA-N 0 2 384.432 3.239 20 0 GGADLN C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)c2ccc(/C=C/C(=O)[O-])o2)C[C@H](C)O1 ZINC000911205911 982284202 /nfs/dbraw/zinc/28/42/02/982284202.db2.gz IBFSKMCWADRUBK-DNLDOLJFSA-N 0 2 384.432 3.239 20 0 GGADLN O=C([O-])[C@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)c2cc(F)ccc2F)CC1 ZINC000911224127 982294394 /nfs/dbraw/zinc/29/43/94/982294394.db2.gz OWRYVFTVQAVJCO-KRWDZBQOSA-N 0 2 394.805 3.202 20 0 GGADLN Cc1ccc(C(=O)N(Cc2ccccc2)[C@H](C)C[NH+]2CCOCC2)cc1C(=O)[O-] ZINC000911339450 982364384 /nfs/dbraw/zinc/36/43/84/982364384.db2.gz LFJYVNDAKWWJMA-GOSISDBHSA-N 0 2 396.487 3.056 20 0 GGADLN Cc1ccc(C[NH+]2CCOCC2)cc1NC(=O)CCc1ccccc1C(=O)[O-] ZINC000911409559 982420392 /nfs/dbraw/zinc/42/03/92/982420392.db2.gz JQMGHQWWWNPSQE-UHFFFAOYSA-N 0 2 382.460 3.097 20 0 GGADLN CCOc1ccccc1C[N@@H+]1CCN(C(=O)c2oc(C(=O)[O-])cc2C)[C@H](C)C1 ZINC000911573495 982511608 /nfs/dbraw/zinc/51/16/08/982511608.db2.gz KJJUOUOKLZJHNH-OAHLLOKOSA-N 0 2 386.448 3.031 20 0 GGADLN CCOc1ccccc1C[N@H+]1CCN(C(=O)c2oc(C(=O)[O-])cc2C)[C@H](C)C1 ZINC000911573495 982511617 /nfs/dbraw/zinc/51/16/17/982511617.db2.gz KJJUOUOKLZJHNH-OAHLLOKOSA-N 0 2 386.448 3.031 20 0 GGADLN CC(C)C[C@@H](C(=O)N1CCC(Nc2cccc(C(=O)[O-])c2)CC1)n1cc[nH+]c1 ZINC000911598869 982532024 /nfs/dbraw/zinc/53/20/24/982532024.db2.gz UZXDCLKYENDWRP-IBGZPJMESA-N 0 2 384.480 3.272 20 0 GGADLN CCCCn1c(SCc2cccc(C(=O)[O-])n2)nnc1[C@@H](CC)[NH+](C)C ZINC001595803235 982623811 /nfs/dbraw/zinc/62/38/11/982623811.db2.gz PKSAFJQMIQZSCF-OAHLLOKOSA-N 0 2 377.514 3.476 20 0 GGADLN CCC[N@H+](Cc1ccc(C(=O)[O-])n1C)Cc1nc2cc(Cl)ccc2c(=O)[nH]1 ZINC001595891667 982927517 /nfs/dbraw/zinc/92/75/17/982927517.db2.gz ZCUMGXUSFGEASN-UHFFFAOYSA-N 0 2 388.855 3.438 20 0 GGADLN CCC[N@@H+](Cc1ccc(C(=O)[O-])n1C)Cc1nc2cc(Cl)ccc2c(=O)[nH]1 ZINC001595891667 982927523 /nfs/dbraw/zinc/92/75/23/982927523.db2.gz ZCUMGXUSFGEASN-UHFFFAOYSA-N 0 2 388.855 3.438 20 0 GGADLN CCCn1cc(C[N@@H+]2Cc3cccc(Br)c3C[C@H]2C(=O)[O-])cn1 ZINC001596116343 983447670 /nfs/dbraw/zinc/44/76/70/983447670.db2.gz CWWINIYTRKHZTP-INIZCTEOSA-N 0 2 378.270 3.067 20 0 GGADLN CCCn1cc(C[N@H+]2Cc3cccc(Br)c3C[C@H]2C(=O)[O-])cn1 ZINC001596116343 983447672 /nfs/dbraw/zinc/44/76/72/983447672.db2.gz CWWINIYTRKHZTP-INIZCTEOSA-N 0 2 378.270 3.067 20 0 GGADLN CCCn1c[nH+]cc1CN(C)[C@H](C(=O)[O-])c1cc(OC)ccc1Br ZINC001596118241 983451682 /nfs/dbraw/zinc/45/16/82/983451682.db2.gz OBSGPTORKYSPIN-INIZCTEOSA-N 0 2 396.285 3.322 20 0 GGADLN CCCn1nccc1C[N@@H+]1Cc2cccc(Br)c2C[C@H]1C(=O)[O-] ZINC001596122161 983460998 /nfs/dbraw/zinc/46/09/98/983460998.db2.gz RZUJYBJUTHQGCQ-INIZCTEOSA-N 0 2 378.270 3.067 20 0 GGADLN CCCn1nccc1C[N@H+]1Cc2cccc(Br)c2C[C@H]1C(=O)[O-] ZINC001596122161 983461000 /nfs/dbraw/zinc/46/10/00/983461000.db2.gz RZUJYBJUTHQGCQ-INIZCTEOSA-N 0 2 378.270 3.067 20 0 GGADLN CCCn1nccc1C[N@@H+]1Cc2cccc(Br)c2C[C@@H]1C(=O)[O-] ZINC001596122162 983461024 /nfs/dbraw/zinc/46/10/24/983461024.db2.gz RZUJYBJUTHQGCQ-MRXNPFEDSA-N 0 2 378.270 3.067 20 0 GGADLN CCCn1nccc1C[N@H+]1Cc2cccc(Br)c2C[C@@H]1C(=O)[O-] ZINC001596122162 983461027 /nfs/dbraw/zinc/46/10/27/983461027.db2.gz RZUJYBJUTHQGCQ-MRXNPFEDSA-N 0 2 378.270 3.067 20 0 GGADLN CC[N@H+](CC(=O)NCc1ccc(C(=O)[O-])c(OC)c1)Cc1ccccc1Cl ZINC001596207479 983595469 /nfs/dbraw/zinc/59/54/69/983595469.db2.gz VDNBWXGICNTDPS-UHFFFAOYSA-N 0 2 390.867 3.185 20 0 GGADLN CC[N@@H+](CC(=O)NCc1ccc(C(=O)[O-])c(OC)c1)Cc1ccccc1Cl ZINC001596207479 983595471 /nfs/dbraw/zinc/59/54/71/983595471.db2.gz VDNBWXGICNTDPS-UHFFFAOYSA-N 0 2 390.867 3.185 20 0 GGADLN CCN(CC)C(=O)[C@H]([NH2+]Cc1ccc(Cl)c(C(=O)[O-])n1)c1ccccc1 ZINC001596238242 983639202 /nfs/dbraw/zinc/63/92/02/983639202.db2.gz ZFLCKMUDCOSDCO-MRXNPFEDSA-N 0 2 375.856 3.133 20 0 GGADLN CCN(CC)C(=O)OC[C@@H]1CCCC[N@@H+]1Cc1nc2cc(C(=O)[O-])ccc2[nH]1 ZINC001596250031 983653513 /nfs/dbraw/zinc/65/35/13/983653513.db2.gz JJBQIRBTDHYHGK-HNNXBMFYSA-N 0 2 388.468 3.094 20 0 GGADLN CCN(CC)C(=O)OC[C@@H]1CCCC[N@H+]1Cc1nc2cc(C(=O)[O-])ccc2[nH]1 ZINC001596250031 983653515 /nfs/dbraw/zinc/65/35/15/983653515.db2.gz JJBQIRBTDHYHGK-HNNXBMFYSA-N 0 2 388.468 3.094 20 0 GGADLN CC[NH+](CC)Cc1nc(C2(NCc3cc(C(=O)[O-])c(C)o3)CCCC2)no1 ZINC001596277338 983698260 /nfs/dbraw/zinc/69/82/60/983698260.db2.gz HENMPJHKXMCLQK-UHFFFAOYSA-N 0 2 376.457 3.070 20 0 GGADLN C[C@H](C(=O)[O-])[N@H+](C)CC(=O)Nc1cc(C(F)(F)F)ccc1N1CCCCC1 ZINC001599886155 984638446 /nfs/dbraw/zinc/63/84/46/984638446.db2.gz GYBLPBTTZIHEDE-GFCCVEGCSA-N 0 2 387.402 3.039 20 0 GGADLN C[C@H](C(=O)[O-])[N@@H+](C)CC(=O)Nc1cc(C(F)(F)F)ccc1N1CCCCC1 ZINC001599886155 984638450 /nfs/dbraw/zinc/63/84/50/984638450.db2.gz GYBLPBTTZIHEDE-GFCCVEGCSA-N 0 2 387.402 3.039 20 0 GGADLN C/C(=C/C(=O)Nc1ccc(Cl)cc1SCCC(=O)[O-])C[NH+]1CCOCC1 ZINC001588944137 984645082 /nfs/dbraw/zinc/64/50/82/984645082.db2.gz QDRBXCYHXTZXNW-RAXLEYEMSA-N 0 2 398.912 3.124 20 0 GGADLN CCOC(=O)c1nn(-c2ccccc2)cc1C[NH2+]Cc1ccc(C(=O)[O-])cc1F ZINC001596754300 985114446 /nfs/dbraw/zinc/11/44/46/985114446.db2.gz LHTQNUFMIPKXAR-UHFFFAOYSA-N 0 2 397.406 3.176 20 0 GGADLN Cc1[nH]c(C(=O)C[NH+]2CCC(c3nc4c(s3)CCC4)CC2)c(C)c1C(=O)[O-] ZINC001599944378 985499210 /nfs/dbraw/zinc/49/92/10/985499210.db2.gz DRBNZHDYABHCRM-UHFFFAOYSA-N 0 2 387.505 3.337 20 0 GGADLN Cc1[nH]c(C(=O)[C@H](C)[NH2+][C@@H](c2cnn(C)c2)c2ccccc2)c(C)c1C(=O)[O-] ZINC001599944934 985510252 /nfs/dbraw/zinc/51/02/52/985510252.db2.gz RKZRLHQUGFFSPJ-IFXJQAMLSA-N 0 2 380.448 3.014 20 0 GGADLN CCO[C@H]1CCC[N@H+](CC(=O)Nc2sc3c(c2C(=O)[O-])CC[C@@H](C)C3)C1 ZINC001596854642 985599939 /nfs/dbraw/zinc/59/99/39/985599939.db2.gz GUUNXUXVNUYKBN-OLZOCXBDSA-N 0 2 380.510 3.011 20 0 GGADLN CCO[C@H]1CCC[N@@H+](CC(=O)Nc2sc3c(c2C(=O)[O-])CC[C@@H](C)C3)C1 ZINC001596854642 985599951 /nfs/dbraw/zinc/59/99/51/985599951.db2.gz GUUNXUXVNUYKBN-OLZOCXBDSA-N 0 2 380.510 3.011 20 0 GGADLN Cc1[nH]c(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)c(C)c1C(=O)[O-] ZINC001599954435 985663152 /nfs/dbraw/zinc/66/31/52/985663152.db2.gz GIVYXXALUYGUKJ-UHFFFAOYSA-N 0 2 376.416 3.497 20 0 GGADLN CC(C)[C@H](C(=O)Nc1cc(F)c(Cl)c(C(=O)[O-])c1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001594500336 985675958 /nfs/dbraw/zinc/67/59/58/985675958.db2.gz IBCQEGVYUZCMFF-OHUAYANFSA-N 0 2 386.851 3.250 20 0 GGADLN CC(C)[C@H](C(=O)Nc1cc(F)c(Cl)c(C(=O)[O-])c1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001594500336 985675961 /nfs/dbraw/zinc/67/59/61/985675961.db2.gz IBCQEGVYUZCMFF-OHUAYANFSA-N 0 2 386.851 3.250 20 0 GGADLN CC(C)[C@@H](C(=O)Nc1cc(F)c(Cl)c(C(=O)[O-])c1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001594500338 985676335 /nfs/dbraw/zinc/67/63/35/985676335.db2.gz IBCQEGVYUZCMFF-USBNGQNGSA-N 0 2 386.851 3.250 20 0 GGADLN CC(C)[C@@H](C(=O)Nc1cc(F)c(Cl)c(C(=O)[O-])c1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001594500338 985676339 /nfs/dbraw/zinc/67/63/39/985676339.db2.gz IBCQEGVYUZCMFF-USBNGQNGSA-N 0 2 386.851 3.250 20 0 GGADLN Cc1[nH]c(C(=O)[O-])cc1C(=O)C[N@@H+](C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC001599957201 985708677 /nfs/dbraw/zinc/70/86/77/985708677.db2.gz IIOZNOQTJXLINU-RDJZCZTQSA-N 0 2 397.258 3.101 20 0 GGADLN Cc1[nH]c(C(=O)[O-])cc1C(=O)C[N@H+](C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC001599957201 985708685 /nfs/dbraw/zinc/70/86/85/985708685.db2.gz IIOZNOQTJXLINU-RDJZCZTQSA-N 0 2 397.258 3.101 20 0 GGADLN Cc1[nH]c(C(=O)[O-])cc1C(=O)C[NH+]1CCC(Nc2ccccc2Cl)CC1 ZINC001599958653 985735842 /nfs/dbraw/zinc/73/58/42/985735842.db2.gz DOKIHLSCZLDMSI-UHFFFAOYSA-N 0 2 375.856 3.434 20 0 GGADLN CCOC[C@H](C(=O)[O-])[N@H+](C)Cc1c(C)nn(Cc2ccc(Cl)cc2)c1C ZINC001596885259 985787249 /nfs/dbraw/zinc/78/72/49/985787249.db2.gz VUXLJZARJQDTDO-GOSISDBHSA-N 0 2 379.888 3.123 20 0 GGADLN CCOC[C@H](C(=O)[O-])[N@@H+](C)Cc1c(C)nn(Cc2ccc(Cl)cc2)c1C ZINC001596885259 985787259 /nfs/dbraw/zinc/78/72/59/985787259.db2.gz VUXLJZARJQDTDO-GOSISDBHSA-N 0 2 379.888 3.123 20 0 GGADLN Cc1[nH]c(C(=O)[O-])cc1C(=O)C[NH2+][C@H](C)c1nc2ccccc2n1C(F)F ZINC001599962054 985802100 /nfs/dbraw/zinc/80/21/00/985802100.db2.gz ZMZJGFKRSNAZGO-SNVBAGLBSA-N 0 2 376.363 3.300 20 0 GGADLN CC(=O)c1[nH]c(Cc2nc(-c3cccc(-n4cc[nH+]c4)c3)no2)c(C(=O)[O-])c1C ZINC001589248811 985863740 /nfs/dbraw/zinc/86/37/40/985863740.db2.gz WKVVDLFZHZPCLE-UHFFFAOYSA-N 0 2 391.387 3.050 20 0 GGADLN CC(=O)c1ccc(NC(=O)C[NH+]2CCC(Cc3ccccc3C(=O)[O-])CC2)cc1 ZINC001589300818 986056097 /nfs/dbraw/zinc/05/60/97/986056097.db2.gz QNTJNYJZTYYJOL-UHFFFAOYSA-N 0 2 394.471 3.481 20 0 GGADLN CC(=O)c1ccc(NC(=O)C[NH2+][C@@]2(C(=O)[O-])CC[C@H](C)c3ccccc32)cc1 ZINC001589301305 986057965 /nfs/dbraw/zinc/05/79/65/986057965.db2.gz UCNHRBLBYYXVAW-FPTDNZKUSA-N 0 2 380.444 3.295 20 0 GGADLN CC(=O)c1cccc(NC(=O)C[NH+]2CCC(Cc3ccccc3C(=O)[O-])CC2)c1 ZINC001589310793 986086005 /nfs/dbraw/zinc/08/60/05/986086005.db2.gz ACQSOQKCYYXKIS-UHFFFAOYSA-N 0 2 394.471 3.481 20 0 GGADLN C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)N[C@H]2CC[C@@H](CC(=O)[O-])C2)C[C@H](C)O1 ZINC001594544745 986200600 /nfs/dbraw/zinc/20/06/00/986200600.db2.gz LUAATSNLVDQRTL-HPFXQQBRSA-N 0 2 389.496 3.061 20 0 GGADLN C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)N[C@H]2CC[C@@H](CC(=O)[O-])C2)C[C@H](C)O1 ZINC001594544745 986200608 /nfs/dbraw/zinc/20/06/08/986200608.db2.gz LUAATSNLVDQRTL-HPFXQQBRSA-N 0 2 389.496 3.061 20 0 GGADLN C[C@@H]1CN(c2ccc(C(=O)[O-])cc2)CC[N@@H+]1Cc1nnc(-c2ccccc2)o1 ZINC001594570699 986395549 /nfs/dbraw/zinc/39/55/49/986395549.db2.gz XSDRUKRZRZPNFU-OAHLLOKOSA-N 0 2 378.432 3.146 20 0 GGADLN C[C@@H]1CN(c2ccc(C(=O)[O-])cc2)CC[N@H+]1Cc1nnc(-c2ccccc2)o1 ZINC001594570699 986395555 /nfs/dbraw/zinc/39/55/55/986395555.db2.gz XSDRUKRZRZPNFU-OAHLLOKOSA-N 0 2 378.432 3.146 20 0 GGADLN C[C@@H](C(=O)N1c2ccccc2CC[C@@H]1C)[N@@H+]1CCOc2cc(C(=O)[O-])ccc2C1 ZINC001589373395 986421495 /nfs/dbraw/zinc/42/14/95/986421495.db2.gz COVKTEOYXJZIQF-HOTGVXAUSA-N 0 2 394.471 3.336 20 0 GGADLN C[C@@H](C(=O)N1c2ccccc2CC[C@@H]1C)[N@H+]1CCOc2cc(C(=O)[O-])ccc2C1 ZINC001589373395 986421501 /nfs/dbraw/zinc/42/15/01/986421501.db2.gz COVKTEOYXJZIQF-HOTGVXAUSA-N 0 2 394.471 3.336 20 0 GGADLN C[C@@H]1CN=C(N2CC[NH+](Cc3ccc(-c4ccccc4C(=O)[O-])o3)CC2)S1 ZINC001594584901 986470098 /nfs/dbraw/zinc/47/00/98/986470098.db2.gz OXKARCAEHRVLIA-CQSZACIVSA-N 0 2 385.489 3.254 20 0 GGADLN CCOc1ccc(-c2nc(C[N@@H+]3CCC[C@@]3(COC)C(=O)[O-])cs2)cc1 ZINC001597049749 986525140 /nfs/dbraw/zinc/52/51/40/986525140.db2.gz XOAHTNHVTSPYJA-LJQANCHMSA-N 0 2 376.478 3.274 20 0 GGADLN CCOc1ccc(-c2nc(C[N@H+]3CCC[C@@]3(COC)C(=O)[O-])cs2)cc1 ZINC001597049749 986525152 /nfs/dbraw/zinc/52/51/52/986525152.db2.gz XOAHTNHVTSPYJA-LJQANCHMSA-N 0 2 376.478 3.274 20 0 GGADLN CCOc1ccc(C(=O)N2CCC(Nc3ccc(C)c(C(=O)[O-])[nH+]3)CC2)cc1 ZINC001597055967 986538765 /nfs/dbraw/zinc/53/87/65/986538765.db2.gz URFQDHCXIDDSET-UHFFFAOYSA-N 0 2 383.448 3.204 20 0 GGADLN C[C@@H]1CSCC[N@H+](CC(=O)Nc2c(Cl)cc(Cl)cc2C(=O)[O-])C1 ZINC001594613941 986623386 /nfs/dbraw/zinc/62/33/86/986623386.db2.gz UYRNIPHXLNPKHS-VIFPVBQESA-N 0 2 377.293 3.315 20 0 GGADLN C[C@@H]1CSCC[N@@H+](CC(=O)Nc2c(Cl)cc(Cl)cc2C(=O)[O-])C1 ZINC001594613941 986623394 /nfs/dbraw/zinc/62/33/94/986623394.db2.gz UYRNIPHXLNPKHS-VIFPVBQESA-N 0 2 377.293 3.315 20 0 GGADLN CCOc1ccc([C@@H]2CCCN2C(=O)C[NH2+][C@](C)(C(=O)[O-])c2ccccc2)cc1 ZINC001597081623 986626375 /nfs/dbraw/zinc/62/63/75/986626375.db2.gz MHVMXBWNEUSCQM-REWPJTCUSA-N 0 2 396.487 3.338 20 0 GGADLN CCOc1ccc(C[N@@H+]2Cc3cccc(Br)c3C[C@H]2C(=O)[O-])o1 ZINC001597102299 986728727 /nfs/dbraw/zinc/72/87/27/986728727.db2.gz UBPUVYSJQSXSRU-HNNXBMFYSA-N 0 2 380.238 3.452 20 0 GGADLN CCOc1ccc(C[N@H+]2Cc3cccc(Br)c3C[C@H]2C(=O)[O-])o1 ZINC001597102299 986728732 /nfs/dbraw/zinc/72/87/32/986728732.db2.gz UBPUVYSJQSXSRU-HNNXBMFYSA-N 0 2 380.238 3.452 20 0 GGADLN CCOc1ccc(C[N@@H+]2Cc3cccc(Br)c3C[C@@H]2C(=O)[O-])o1 ZINC001597102300 986728872 /nfs/dbraw/zinc/72/88/72/986728872.db2.gz UBPUVYSJQSXSRU-OAHLLOKOSA-N 0 2 380.238 3.452 20 0 GGADLN CCOc1ccc(C[N@H+]2Cc3cccc(Br)c3C[C@@H]2C(=O)[O-])o1 ZINC001597102300 986728877 /nfs/dbraw/zinc/72/88/77/986728877.db2.gz UBPUVYSJQSXSRU-OAHLLOKOSA-N 0 2 380.238 3.452 20 0 GGADLN C[C@@H](C(=O)Nc1ccccc1Cl)[N@@H+]1CC[C@@H](c2ncc(C(=O)[O-])s2)C1 ZINC001589443861 986792766 /nfs/dbraw/zinc/79/27/66/986792766.db2.gz CNXOJSLSRMKYTA-WDEREUQCSA-N 0 2 379.869 3.311 20 0 GGADLN C[C@@H](C(=O)Nc1ccccc1Cl)[N@H+]1CC[C@@H](c2ncc(C(=O)[O-])s2)C1 ZINC001589443861 986792776 /nfs/dbraw/zinc/79/27/76/986792776.db2.gz CNXOJSLSRMKYTA-WDEREUQCSA-N 0 2 379.869 3.311 20 0 GGADLN C[C@H](C(=O)Nc1ccccc1C(=O)c1ccccc1)[NH+]1CCC(CC(=O)[O-])CC1 ZINC001589445449 986812624 /nfs/dbraw/zinc/81/26/24/986812624.db2.gz SFDLKUMZAQXGTN-MRXNPFEDSA-N 0 2 394.471 3.431 20 0 GGADLN C[C@@H](C(=O)Nc1nc2ccccc2s1)[N@@H+]1CCc2cc(C(=O)[O-])ccc2C1 ZINC001589448359 986822502 /nfs/dbraw/zinc/82/25/02/986822502.db2.gz HGSYBQNYIVXJFX-LBPRGKRZSA-N 0 2 381.457 3.380 20 0 GGADLN C[C@@H](C(=O)Nc1nc2ccccc2s1)[N@H+]1CCc2cc(C(=O)[O-])ccc2C1 ZINC001589448359 986822513 /nfs/dbraw/zinc/82/25/13/986822513.db2.gz HGSYBQNYIVXJFX-LBPRGKRZSA-N 0 2 381.457 3.380 20 0 GGADLN C[C@H](C(=O)Nc1nc2ccccc2s1)[N@H+]1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC001589449062 986833740 /nfs/dbraw/zinc/83/37/40/986833740.db2.gz YMAMGCXGOMTUOS-IUODEOHRSA-N 0 2 381.457 3.307 20 0 GGADLN C[C@H](C(=O)Nc1nc2ccccc2s1)[N@@H+]1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC001589449062 986833750 /nfs/dbraw/zinc/83/37/50/986833750.db2.gz YMAMGCXGOMTUOS-IUODEOHRSA-N 0 2 381.457 3.307 20 0 GGADLN C[C@H]1OCC[N@H+](Cc2cn(-c3ccc(Cl)c(Cl)c3)nc2C(=O)[O-])[C@@H]1C ZINC001594648211 986850858 /nfs/dbraw/zinc/85/08/58/986850858.db2.gz GHLPIDNNXYCPEG-GHMZBOCLSA-N 0 2 384.263 3.487 20 0 GGADLN C[C@H]1OCC[N@@H+](Cc2cn(-c3ccc(Cl)c(Cl)c3)nc2C(=O)[O-])[C@@H]1C ZINC001594648211 986850871 /nfs/dbraw/zinc/85/08/71/986850871.db2.gz GHLPIDNNXYCPEG-GHMZBOCLSA-N 0 2 384.263 3.487 20 0 GGADLN C[C@H]1SCC[N@H+](CN2Cc3ccc(C(=O)[O-])cc3C2=O)[C@@H]1c1ccccc1 ZINC001594664468 986951200 /nfs/dbraw/zinc/95/12/00/986951200.db2.gz PXUMPLDGDZBJKZ-KUHUBIRLSA-N 0 2 382.485 3.477 20 0 GGADLN C[C@H]1SCC[N@@H+](CN2Cc3ccc(C(=O)[O-])cc3C2=O)[C@@H]1c1ccccc1 ZINC001594664468 986951203 /nfs/dbraw/zinc/95/12/03/986951203.db2.gz PXUMPLDGDZBJKZ-KUHUBIRLSA-N 0 2 382.485 3.477 20 0 GGADLN CCOc1ccccc1CN1CC[N@H+](Cc2cc(C(=O)[O-])c(C)n2C)[C@H](C)C1 ZINC001597172910 987009251 /nfs/dbraw/zinc/00/92/51/987009251.db2.gz SWKMHGRGWBRXSH-MRXNPFEDSA-N 0 2 385.508 3.137 20 0 GGADLN CCOc1ccccc1CN1CC[N@@H+](Cc2cc(C(=O)[O-])c(C)n2C)[C@H](C)C1 ZINC001597172910 987009259 /nfs/dbraw/zinc/00/92/59/987009259.db2.gz SWKMHGRGWBRXSH-MRXNPFEDSA-N 0 2 385.508 3.137 20 0 GGADLN C[C@H](C(=O)[O-])[N@H+](CC(=O)Nc1ncc(Cc2ccc(F)cc2)s1)C1CCC1 ZINC001589485555 987017269 /nfs/dbraw/zinc/01/72/69/987017269.db2.gz ACGLXWGQVURNIY-GFCCVEGCSA-N 0 2 391.468 3.139 20 0 GGADLN C[C@H](C(=O)[O-])[N@@H+](CC(=O)Nc1ncc(Cc2ccc(F)cc2)s1)C1CCC1 ZINC001589485555 987017278 /nfs/dbraw/zinc/01/72/78/987017278.db2.gz ACGLXWGQVURNIY-GFCCVEGCSA-N 0 2 391.468 3.139 20 0 GGADLN C[C@@H](C(=O)[O-])[N@H+](CC(=O)Nc1ncc(Cc2ccc(F)cc2)s1)C1CCC1 ZINC001589485556 987017484 /nfs/dbraw/zinc/01/74/84/987017484.db2.gz ACGLXWGQVURNIY-LBPRGKRZSA-N 0 2 391.468 3.139 20 0 GGADLN C[C@@H](C(=O)[O-])[N@@H+](CC(=O)Nc1ncc(Cc2ccc(F)cc2)s1)C1CCC1 ZINC001589485556 987017497 /nfs/dbraw/zinc/01/74/97/987017497.db2.gz ACGLXWGQVURNIY-LBPRGKRZSA-N 0 2 391.468 3.139 20 0 GGADLN CCOc1ccccc1[C@H](CC)NC(=O)C[N@@H+]1CCc2c(cccc2C(=O)[O-])C1 ZINC001597173631 987020645 /nfs/dbraw/zinc/02/06/45/987020645.db2.gz ZTRLQTWNYWEXTE-FQEVSTJZSA-N 0 2 396.487 3.409 20 0 GGADLN CCOc1ccccc1[C@H](CC)NC(=O)C[N@H+]1CCc2c(cccc2C(=O)[O-])C1 ZINC001597173631 987020657 /nfs/dbraw/zinc/02/06/57/987020657.db2.gz ZTRLQTWNYWEXTE-FQEVSTJZSA-N 0 2 396.487 3.409 20 0 GGADLN C[C@H](C(=O)[O-])[N@H+](Cc1nnc(-c2ccc(Br)s2)o1)C1CCC1 ZINC001589486286 987024790 /nfs/dbraw/zinc/02/47/90/987024790.db2.gz CMDRJAUZXUDVGM-MRVPVSSYSA-N 0 2 386.271 3.388 20 0 GGADLN C[C@H](C(=O)[O-])[N@@H+](Cc1nnc(-c2ccc(Br)s2)o1)C1CCC1 ZINC001589486286 987024802 /nfs/dbraw/zinc/02/48/02/987024802.db2.gz CMDRJAUZXUDVGM-MRVPVSSYSA-N 0 2 386.271 3.388 20 0 GGADLN CC[C@@H](C(=O)N(C)c1ccc(C)cc1)[N@@H+]1CCOc2c(cccc2C(=O)[O-])C1 ZINC001594724749 987222528 /nfs/dbraw/zinc/22/25/28/987222528.db2.gz CGFMWHYKNJEYNF-IBGZPJMESA-N 0 2 382.460 3.329 20 0 GGADLN CC[C@@H](C(=O)N(C)c1ccc(C)cc1)[N@H+]1CCOc2c(cccc2C(=O)[O-])C1 ZINC001594724749 987222533 /nfs/dbraw/zinc/22/25/33/987222533.db2.gz CGFMWHYKNJEYNF-IBGZPJMESA-N 0 2 382.460 3.329 20 0 GGADLN CCc1[nH]c(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)c(C)c1C(=O)[O-] ZINC001597374469 987561709 /nfs/dbraw/zinc/56/17/09/987561709.db2.gz NVBYJTGUWLUNCD-UHFFFAOYSA-N 0 2 376.482 3.278 20 0 GGADLN CC(C)(C(=O)[O-])c1ccc(S(=O)(=O)Oc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC001589642787 987567606 /nfs/dbraw/zinc/56/76/06/987567606.db2.gz CRRGHLWMAAINED-UHFFFAOYSA-N 0 2 386.429 3.002 20 0 GGADLN CCc1[nH]c(C[N@@H+]2CCCN(C(=O)c3cccc(Cl)c3)CC2)cc1C(=O)[O-] ZINC001597386770 987609438 /nfs/dbraw/zinc/60/94/38/987609438.db2.gz OUQVGLHEQMNCCO-UHFFFAOYSA-N 0 2 389.883 3.277 20 0 GGADLN CCc1[nH]c(C[N@H+]2CCCN(C(=O)c3cccc(Cl)c3)CC2)cc1C(=O)[O-] ZINC001597386770 987609444 /nfs/dbraw/zinc/60/94/44/987609444.db2.gz OUQVGLHEQMNCCO-UHFFFAOYSA-N 0 2 389.883 3.277 20 0 GGADLN CC(C)(C(=O)[O-])c1csc(NC(=O)N[C@H](Cn2cc[nH+]c2)c2ccccc2)n1 ZINC001589655072 987611651 /nfs/dbraw/zinc/61/16/51/987611651.db2.gz PHNDNOCSDYJNJF-CQSZACIVSA-N 0 2 399.476 3.265 20 0 GGADLN CCc1[nH]c(C[NH+]2CCN([C@H](C)c3ccc(F)cc3F)CC2)cc1C(=O)[O-] ZINC001597387049 987611927 /nfs/dbraw/zinc/61/19/27/987611927.db2.gz VDMJTUZUJKHCCU-CYBMUJFWSA-N 0 2 377.435 3.432 20 0 GGADLN CC(C)(C)C(=O)N1CC[NH+](Cc2c(C(=O)[O-])sc3cccc(F)c32)CC1 ZINC001589689723 987745250 /nfs/dbraw/zinc/74/52/50/987745250.db2.gz PTJHBXJRIMZVRD-UHFFFAOYSA-N 0 2 378.469 3.429 20 0 GGADLN CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1 ZINC001589711442 987839164 /nfs/dbraw/zinc/83/91/64/987839164.db2.gz BRFXVMNLQNLDLM-HNNXBMFYSA-N 0 2 394.859 3.236 20 0 GGADLN CCc1cc(NS(=O)(=O)c2ccc(C=CC(=O)[O-])cc2)c2ccccc2[nH+]1 ZINC001597482540 987980163 /nfs/dbraw/zinc/98/01/63/987980163.db2.gz KZJVHIHIAPJOGG-XFXZXTDPSA-N 0 2 382.441 3.118 20 0 GGADLN CCc1ccccc1NC(=O)[C@H](C)[N@@H+]1CCN(c2ccc(C(=O)[O-])cc2)C[C@H]1C ZINC001597610965 988506184 /nfs/dbraw/zinc/50/61/84/988506184.db2.gz HRJNBMURTLSPHX-SJORKVTESA-N 0 2 395.503 3.485 20 0 GGADLN CCc1ccccc1NC(=O)[C@H](C)[N@H+]1CCN(c2ccc(C(=O)[O-])cc2)C[C@H]1C ZINC001597610965 988506194 /nfs/dbraw/zinc/50/61/94/988506194.db2.gz HRJNBMURTLSPHX-SJORKVTESA-N 0 2 395.503 3.485 20 0 GGADLN CC(C)(C)OC(=O)C[N@H+](CCC(=O)[O-])Cc1ccc(CC(F)(F)F)cc1 ZINC001589891479 988578640 /nfs/dbraw/zinc/57/86/40/988578640.db2.gz LDPYNTVYPIYDDX-UHFFFAOYSA-N 0 2 375.387 3.410 20 0 GGADLN CC(C)(C)OC(=O)C[N@@H+](CCC(=O)[O-])Cc1ccc(CC(F)(F)F)cc1 ZINC001589891479 988578648 /nfs/dbraw/zinc/57/86/48/988578648.db2.gz LDPYNTVYPIYDDX-UHFFFAOYSA-N 0 2 375.387 3.410 20 0 GGADLN CC(C)(C)OC(=O)N1CC[N@H+](Cc2nc(C(=O)[O-])cs2)C2(CCC2)CC1 ZINC001590058945 989104789 /nfs/dbraw/zinc/10/47/89/989104789.db2.gz UFDUJMOUZJAQKE-UHFFFAOYSA-N 0 2 381.498 3.207 20 0 GGADLN CC(C)(C)OC(=O)N1CC[N@@H+](Cc2nc(C(=O)[O-])cs2)C2(CCC2)CC1 ZINC001590058945 989104793 /nfs/dbraw/zinc/10/47/93/989104793.db2.gz UFDUJMOUZJAQKE-UHFFFAOYSA-N 0 2 381.498 3.207 20 0 GGADLN CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](Cc3cc(C(=O)[O-])ccc3Cl)[C@@H]2C1 ZINC001590074601 989165446 /nfs/dbraw/zinc/16/54/46/989165446.db2.gz NTJDCNXODVTELE-CZUORRHYSA-N 0 2 380.872 3.479 20 0 GGADLN CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](Cc3cc(C(=O)[O-])ccc3Cl)[C@@H]2C1 ZINC001590074601 989165452 /nfs/dbraw/zinc/16/54/52/989165452.db2.gz NTJDCNXODVTELE-CZUORRHYSA-N 0 2 380.872 3.479 20 0 GGADLN CCc1oc(C[NH2+][C@@H](c2ccc(Cl)cc2)[C@@H]2CN(C)CCO2)cc1C(=O)[O-] ZINC001597798225 989360854 /nfs/dbraw/zinc/36/08/54/989360854.db2.gz AJXAWEOHAIANPJ-OALUTQOASA-N 0 2 392.883 3.355 20 0 GGADLN CCc1oc(CN[C@@H](c2ccc(Cl)cc2)[C@@H]2C[N@H+](C)CCO2)cc1C(=O)[O-] ZINC001597798225 989360865 /nfs/dbraw/zinc/36/08/65/989360865.db2.gz AJXAWEOHAIANPJ-OALUTQOASA-N 0 2 392.883 3.355 20 0 GGADLN CCc1oc(CN[C@@H](c2ccc(Cl)cc2)[C@@H]2C[N@@H+](C)CCO2)cc1C(=O)[O-] ZINC001597798225 989360874 /nfs/dbraw/zinc/36/08/74/989360874.db2.gz AJXAWEOHAIANPJ-OALUTQOASA-N 0 2 392.883 3.355 20 0 GGADLN CCc1onc(C)c1C[NH+]1CCN([C@H](C(=O)[O-])c2ccc(Cl)cc2)CC1 ZINC001597813805 989437252 /nfs/dbraw/zinc/43/72/52/989437252.db2.gz OYGGBVQJKGBKFU-SFHVURJKSA-N 0 2 377.872 3.142 20 0 GGADLN CCn1c(-c2ccco2)nn(C[N@@H+]2CCC[C@H](C(C)(C)C(=O)[O-])C2)c1=S ZINC001597826352 989480799 /nfs/dbraw/zinc/48/07/99/989480799.db2.gz BWWVVLNCOCTOPY-ZDUSSCGKSA-N 0 2 378.498 3.474 20 0 GGADLN CCn1c(-c2ccco2)nn(C[N@H+]2CCC[C@H](C(C)(C)C(=O)[O-])C2)c1=S ZINC001597826352 989480805 /nfs/dbraw/zinc/48/08/05/989480805.db2.gz BWWVVLNCOCTOPY-ZDUSSCGKSA-N 0 2 378.498 3.474 20 0 GGADLN CC(C)(C)OC(=O)NC[C@@]12CC[C@H]1CCC[N@@H+]2Cc1nc(C(=O)[O-])cs1 ZINC001590168957 989490681 /nfs/dbraw/zinc/49/06/81/989490681.db2.gz JOEAUJABVDCSAW-XIKOKIGWSA-N 0 2 381.498 3.111 20 0 GGADLN CC(C)(C)OC(=O)NC[C@@]12CC[C@H]1CCC[N@H+]2Cc1nc(C(=O)[O-])cs1 ZINC001590168957 989490684 /nfs/dbraw/zinc/49/06/84/989490684.db2.gz JOEAUJABVDCSAW-XIKOKIGWSA-N 0 2 381.498 3.111 20 0 GGADLN CCn1c2ccc(Br)cc2[nH+]c1NCc1ccc(C(=O)[O-])n1C ZINC001597860300 989634667 /nfs/dbraw/zinc/63/46/67/989634667.db2.gz MFRBISZPCQYUJU-UHFFFAOYSA-N 0 2 377.242 3.468 20 0 GGADLN CC(C)(C)c1ccc(S(=O)(=O)CC[N@H+](CCC(F)(F)F)CC(=O)[O-])cc1 ZINC001590498015 990104393 /nfs/dbraw/zinc/10/43/93/990104393.db2.gz JOYJIFJTBLRGGX-UHFFFAOYSA-N 0 2 395.443 3.097 20 0 GGADLN CC(C)(C)c1ccc(S(=O)(=O)CC[N@@H+](CCC(F)(F)F)CC(=O)[O-])cc1 ZINC001590498015 990104397 /nfs/dbraw/zinc/10/43/97/990104397.db2.gz JOYJIFJTBLRGGX-UHFFFAOYSA-N 0 2 395.443 3.097 20 0 GGADLN CC(C)(CC[NH2+]c1ccc(N2CC[C@@H](CO)C2)c(Br)c1)C(=O)[O-] ZINC001590693481 990408835 /nfs/dbraw/zinc/40/88/35/990408835.db2.gz MSYJQCHWSISWRL-GFCCVEGCSA-N 0 2 385.302 3.181 20 0 GGADLN CN(C)C(=O)c1ccccc1C[N@@H+]1CCc2[nH]c3ccc(C(=O)[O-])cc3c2C1 ZINC001598162730 990663433 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395.503 3.169 20 0 GGADLN CN(C)c1[nH+]ccc2cc(NC(=O)N[C@@](C)(CC(=O)[O-])c3ccccn3)ccc21 ZINC001598358572 991477493 /nfs/dbraw/zinc/47/74/93/991477493.db2.gz FQVMRPNHIQWFIG-NRFANRHFSA-N 0 2 393.447 3.207 20 0 GGADLN CC(C)C[C@H](C(=O)N[C@H](C(=O)[O-])c1cccc(C(F)(F)F)c1)n1cc[nH+]c1 ZINC001591118578 991785172 /nfs/dbraw/zinc/78/51/72/991785172.db2.gz VMXVZJOKZZDGBZ-CABCVRRESA-N 0 2 383.370 3.431 20 0 GGADLN COc1nsc(C[N@H+](C)Cc2ccccc2OC(F)(F)F)c1C(=O)[O-] ZINC001599740888 991853941 /nfs/dbraw/zinc/85/39/41/991853941.db2.gz LSXFZFIMQRVXGC-UHFFFAOYSA-N 0 2 376.356 3.381 20 0 GGADLN COc1nsc(C[N@@H+](C)Cc2ccccc2OC(F)(F)F)c1C(=O)[O-] ZINC001599740888 991853954 /nfs/dbraw/zinc/85/39/54/991853954.db2.gz LSXFZFIMQRVXGC-UHFFFAOYSA-N 0 2 376.356 3.381 20 0 GGADLN COc1nsc(C[N@H+](C)Cc2ccc(Br)s2)c1C(=O)[O-] ZINC001599740937 991854259 /nfs/dbraw/zinc/85/42/59/991854259.db2.gz NWVANZIPRYKHDF-UHFFFAOYSA-N 0 2 377.285 3.306 20 0 GGADLN COc1nsc(C[N@@H+](C)Cc2ccc(Br)s2)c1C(=O)[O-] ZINC001599740937 991854263 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2 380.293 3.018 20 0 GGADLN CC(C)C[C@@H]1C[N@H+](Cc2ccc(Cl)cc2)CCN1C(=O)NC[C@H](F)C(=O)[O-] ZINC001591210942 992047931 /nfs/dbraw/zinc/04/79/31/992047931.db2.gz IFXVTQWQJUCZGZ-SJORKVTESA-N 0 2 399.894 3.005 20 0 GGADLN CC(C)C[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2)CCN1C(=O)NC[C@H](F)C(=O)[O-] ZINC001591210942 992047941 /nfs/dbraw/zinc/04/79/41/992047941.db2.gz IFXVTQWQJUCZGZ-SJORKVTESA-N 0 2 399.894 3.005 20 0 GGADLN CC(C)CC[C@H](O)C[N@@H+]1CCOc2c(Br)cc(C(=O)[O-])cc2C1 ZINC001591222304 992092533 /nfs/dbraw/zinc/09/25/33/992092533.db2.gz RPGANCAIFGUYTK-AWEZNQCLSA-N 0 2 386.286 3.139 20 0 GGADLN CC(C)CC[C@H](O)C[N@H+]1CCOc2c(Br)cc(C(=O)[O-])cc2C1 ZINC001591222304 992092540 /nfs/dbraw/zinc/09/25/40/992092540.db2.gz RPGANCAIFGUYTK-AWEZNQCLSA-N 0 2 386.286 3.139 20 0 GGADLN C[N@H+](CCCN1C(=O)CS/C1=C\C(=O)[O-])Cc1c(Cl)cccc1Cl ZINC001598477667 992100954 /nfs/dbraw/zinc/10/09/54/992100954.db2.gz CVTFUXJQGOOFPM-NVNXTCNLSA-N 0 2 389.304 3.317 20 0 GGADLN C[N@@H+](CCCN1C(=O)CS/C1=C\C(=O)[O-])Cc1c(Cl)cccc1Cl ZINC001598477667 992100958 /nfs/dbraw/zinc/10/09/58/992100958.db2.gz CVTFUXJQGOOFPM-NVNXTCNLSA-N 0 2 389.304 3.317 20 0 GGADLN C[N@H+](CCOc1ccc(/C=C\C(=O)[O-])cc1)Cc1nccn1CC(F)(F)F ZINC001598498967 992404232 /nfs/dbraw/zinc/40/42/32/992404232.db2.gz YMWHXKCZVSGIMN-DAXSKMNVSA-N 0 2 383.370 3.054 20 0 GGADLN C[N@@H+](CCOc1ccc(/C=C\C(=O)[O-])cc1)Cc1nccn1CC(F)(F)F ZINC001598498967 992404240 /nfs/dbraw/zinc/40/42/40/992404240.db2.gz YMWHXKCZVSGIMN-DAXSKMNVSA-N 0 2 383.370 3.054 20 0 GGADLN C[N@H+](CCOc1ccc(/C=C/C(=O)[O-])cc1)Cc1nccn1CC(F)(F)F ZINC001598498968 992404421 /nfs/dbraw/zinc/40/44/21/992404421.db2.gz YMWHXKCZVSGIMN-QPJJXVBHSA-N 0 2 383.370 3.054 20 0 GGADLN C[N@@H+](CCOc1ccc(/C=C/C(=O)[O-])cc1)Cc1nccn1CC(F)(F)F ZINC001598498968 992404424 /nfs/dbraw/zinc/40/44/24/992404424.db2.gz YMWHXKCZVSGIMN-QPJJXVBHSA-N 0 2 383.370 3.054 20 0 GGADLN CC(C)CO[C@H]1CC[N@H+](CC(=O)Nc2sc3c(c2C(=O)[O-])CC[C@@H](C)C3)C1 ZINC001591390795 992445732 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PBOXONDVVZPZPE-INIZCTEOSA-N 0 2 394.258 3.324 20 0 GGADLN C[N@H+](Cc1ccc(C(=O)[O-])cn1)[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC001598516296 992620098 /nfs/dbraw/zinc/62/00/98/992620098.db2.gz XUGFEOPSFQIGPY-MRXNPFEDSA-N 0 2 394.258 3.324 20 0 GGADLN C[N@@H+](Cc1ccc(C(=O)[O-])cn1)[C@@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC001598516296 992620104 /nfs/dbraw/zinc/62/01/04/992620104.db2.gz XUGFEOPSFQIGPY-MRXNPFEDSA-N 0 2 394.258 3.324 20 0 GGADLN C[N@H+](Cc1nc(C(F)(F)F)n2c1CCCC2)Cc1ccc(OCC(=O)[O-])cc1 ZINC001598523642 992690269 /nfs/dbraw/zinc/69/02/69/992690269.db2.gz ALEWWKHKWDAPNL-UHFFFAOYSA-N 0 2 397.397 3.334 20 0 GGADLN C[N@@H+](Cc1nc(C(F)(F)F)n2c1CCCC2)Cc1ccc(OCC(=O)[O-])cc1 ZINC001598523642 992690270 /nfs/dbraw/zinc/69/02/70/992690270.db2.gz ALEWWKHKWDAPNL-UHFFFAOYSA-N 0 2 397.397 3.334 20 0 GGADLN CC(C)[N@H+](CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-])Cc1ccccc1F ZINC001591561482 992764963 /nfs/dbraw/zinc/76/49/63/992764963.db2.gz VGSAFRRXSWSORQ-HXUWFJFHSA-N 0 2 384.451 3.074 20 0 GGADLN CC(C)[N@@H+](CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-])Cc1ccccc1F ZINC001591561482 992764968 /nfs/dbraw/zinc/76/49/68/992764968.db2.gz VGSAFRRXSWSORQ-HXUWFJFHSA-N 0 2 384.451 3.074 20 0 GGADLN C[N@@H+]1CC[C@H](NC(=O)Nc2cccc(C(=O)[O-])c2)[C@@H]1c1ccc(F)c(F)c1 ZINC001598585072 993370730 /nfs/dbraw/zinc/37/07/30/993370730.db2.gz CKVYJMIVKRKPFP-IRXDYDNUSA-N 0 2 375.375 3.230 20 0 GGADLN C[N@H+]1CC[C@H](NC(=O)Nc2cccc(C(=O)[O-])c2)[C@@H]1c1ccc(F)c(F)c1 ZINC001598585072 993370733 /nfs/dbraw/zinc/37/07/33/993370733.db2.gz CKVYJMIVKRKPFP-IRXDYDNUSA-N 0 2 375.375 3.230 20 0 GGADLN C[N@@H+]1CC[C@@H](NC(=O)C23CCC(C(=O)[O-])(CC2)CC3)[C@@H]1c1ccc(F)c(F)c1 ZINC001598586164 993385381 /nfs/dbraw/zinc/38/53/81/993385381.db2.gz PPTPFRIGMDZHFP-UUBYJMPYSA-N 0 2 392.446 3.251 20 0 GGADLN C[N@H+]1CC[C@@H](NC(=O)C23CCC(C(=O)[O-])(CC2)CC3)[C@@H]1c1ccc(F)c(F)c1 ZINC001598586164 993385385 /nfs/dbraw/zinc/38/53/85/993385385.db2.gz PPTPFRIGMDZHFP-UUBYJMPYSA-N 0 2 392.446 3.251 20 0 GGADLN C[N@@H+]1CC[C@@H](NC(=O)Nc2cc(C(=O)[O-])cs2)[C@@H]1c1ccc(F)c(F)c1 ZINC001598586678 993394381 /nfs/dbraw/zinc/39/43/81/993394381.db2.gz QGLNPPJJXNBCRP-HIFRSBDPSA-N 0 2 381.404 3.291 20 0 GGADLN C[N@H+]1CC[C@@H](NC(=O)Nc2cc(C(=O)[O-])cs2)[C@@H]1c1ccc(F)c(F)c1 ZINC001598586678 993394387 /nfs/dbraw/zinc/39/43/87/993394387.db2.gz QGLNPPJJXNBCRP-HIFRSBDPSA-N 0 2 381.404 3.291 20 0 GGADLN C[N@@H+]1CC[C@@H](NC(=O)Nc2cc(C(=O)[O-])cs2)[C@H]1c1ccc(F)c(F)c1 ZINC001598586680 993394461 /nfs/dbraw/zinc/39/44/61/993394461.db2.gz QGLNPPJJXNBCRP-UKRRQHHQSA-N 0 2 381.404 3.291 20 0 GGADLN C[N@H+]1CC[C@@H](NC(=O)Nc2cc(C(=O)[O-])cs2)[C@H]1c1ccc(F)c(F)c1 ZINC001598586680 993394462 /nfs/dbraw/zinc/39/44/62/993394462.db2.gz QGLNPPJJXNBCRP-UKRRQHHQSA-N 0 2 381.404 3.291 20 0 GGADLN C[N@@H+]1CC[C@@H](NC(=O)Nc2cc(C(=O)[O-])ccn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001598587291 993403203 /nfs/dbraw/zinc/40/32/03/993403203.db2.gz VUYUOEAIABFGBT-ZBFHGGJFSA-N 0 2 392.818 3.139 20 0 GGADLN C[N@H+]1CC[C@@H](NC(=O)Nc2cc(C(=O)[O-])ccn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001598587291 993403205 /nfs/dbraw/zinc/40/32/05/993403205.db2.gz VUYUOEAIABFGBT-ZBFHGGJFSA-N 0 2 392.818 3.139 20 0 GGADLN COc1ccc(NC(=O)C[NH2+][C@@H](C(=O)[O-])c2cc(C)cc(C)c2)cc1Cl ZINC001599592777 993708230 /nfs/dbraw/zinc/70/82/30/993708230.db2.gz QXLZFJVWXWDAGA-GOSISDBHSA-N 0 2 376.840 3.319 20 0 GGADLN COc1ccc(NC(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)c(C(=O)[O-])c1 ZINC001599594295 993729367 /nfs/dbraw/zinc/72/93/67/993729367.db2.gz BGFCDHVHTBKEFL-CYBMUJFWSA-N 0 2 389.477 3.366 20 0 GGADLN COc1ccc(OC)c(C[N@H+](CCO)Cc2cccc(C(=O)[O-])c2Cl)c1 ZINC001599601790 993825583 /nfs/dbraw/zinc/82/55/83/993825583.db2.gz BFNXGFFFYQNJQN-UHFFFAOYSA-N 0 2 379.840 3.050 20 0 GGADLN COc1ccc(OC)c(C[N@@H+](CCO)Cc2cccc(C(=O)[O-])c2Cl)c1 ZINC001599601790 993825590 /nfs/dbraw/zinc/82/55/90/993825590.db2.gz BFNXGFFFYQNJQN-UHFFFAOYSA-N 0 2 379.840 3.050 20 0 GGADLN C[C@H](NC(=O)[C@H]1CC[C@@H](Nc2cccc[nH+]2)CC1)c1ccc(OCC(=O)[O-])cc1 ZINC001593142055 993934923 /nfs/dbraw/zinc/93/49/23/993934923.db2.gz PQQRNPJEZYJDLU-RYQLBKOJSA-N 0 2 397.475 3.393 20 0 GGADLN C[N@@H+]1CCc2c(cccc2S(=O)(=O)Oc2cccc3cc(C(=O)[O-])ccc32)C1 ZINC001598627466 994121239 /nfs/dbraw/zinc/12/12/39/994121239.db2.gz PEILULXRWYVTDF-UHFFFAOYSA-N 0 2 397.452 3.294 20 0 GGADLN C[N@H+]1CCc2c(cccc2S(=O)(=O)Oc2cccc3cc(C(=O)[O-])ccc32)C1 ZINC001598627466 994121248 /nfs/dbraw/zinc/12/12/48/994121248.db2.gz PEILULXRWYVTDF-UHFFFAOYSA-N 0 2 397.452 3.294 20 0 GGADLN C[C@H]([NH2+][C@@](C)(CO)c1cccc(Br)c1)c1ncc(C(=O)[O-])s1 ZINC001593198520 994172806 /nfs/dbraw/zinc/17/28/06/994172806.db2.gz SBTGHHLNFATKQX-VFZGTOFNSA-N 0 2 385.283 3.162 20 0 GGADLN C[N@H+]1Cc2ccccc2[C@@H](NS(=O)(=O)c2ccc(C(=O)[O-])c3ccccc32)C1 ZINC001598631363 994178324 /nfs/dbraw/zinc/17/83/24/994178324.db2.gz OFLVGFPDQOXPCX-IBGZPJMESA-N 0 2 396.468 3.003 20 0 GGADLN C[N@@H+]1Cc2ccccc2[C@@H](NS(=O)(=O)c2ccc(C(=O)[O-])c3ccccc32)C1 ZINC001598631363 994178334 /nfs/dbraw/zinc/17/83/34/994178334.db2.gz OFLVGFPDQOXPCX-IBGZPJMESA-N 0 2 396.468 3.003 20 0 GGADLN C[C@@H]([NH2+][C@@H](C)c1ncc(C(=O)[O-])s1)C(=O)Nc1nc2ccccc2s1 ZINC001593203243 994184758 /nfs/dbraw/zinc/18/47/58/994184758.db2.gz CLGLSMVINLQURS-BDAKNGLRSA-N 0 2 376.463 3.129 20 0 GGADLN C[C@H]([NH2+][C@@H](C)c1ncc(C(=O)[O-])s1)C(=O)Nc1cccc(N2CCCC2)c1 ZINC001593203686 994189219 /nfs/dbraw/zinc/18/92/19/994189219.db2.gz GIWHCDJEKYVGGG-STQMWFEESA-N 0 2 388.493 3.119 20 0 GGADLN COc1ccc2c(c1)OCC[N@H+]([C@H](C(=O)[O-])c1ccccc1Br)C2 ZINC001599629442 994195571 /nfs/dbraw/zinc/19/55/71/994195571.db2.gz CXLMMTIPHTZEHB-KRWDZBQOSA-N 0 2 392.249 3.478 20 0 GGADLN COc1ccc2c(c1)OCC[N@@H+]([C@H](C(=O)[O-])c1ccccc1Br)C2 ZINC001599629442 994195578 /nfs/dbraw/zinc/19/55/78/994195578.db2.gz CXLMMTIPHTZEHB-KRWDZBQOSA-N 0 2 392.249 3.478 20 0 GGADLN COc1ccc2c(c1)OC(C)(C)C[N@@H+](CC(=O)c1[nH]c(C)c(C(=O)[O-])c1C)C2 ZINC001599629546 994196997 /nfs/dbraw/zinc/19/69/97/994196997.db2.gz DNWNTDYGYIZNKO-UHFFFAOYSA-N 0 2 386.448 3.194 20 0 GGADLN COc1ccc2c(c1)OC(C)(C)C[N@H+](CC(=O)c1[nH]c(C)c(C(=O)[O-])c1C)C2 ZINC001599629546 994197006 /nfs/dbraw/zinc/19/70/06/994197006.db2.gz DNWNTDYGYIZNKO-UHFFFAOYSA-N 0 2 386.448 3.194 20 0 GGADLN CC(C)N(Cc1ccccc1)C(=O)[C@H](C)[NH2+][C@H](C)c1ncc(C(=O)[O-])s1 ZINC001593204446 994203075 /nfs/dbraw/zinc/20/30/75/994203075.db2.gz RSASCVUNJSFAAT-KGLIPLIRSA-N 0 2 375.494 3.318 20 0 GGADLN C[C@@H]([NH2+][C@H](C)c1ccc(NC(=O)c2ccncc2)cc1)c1nc(C(=O)[O-])co1 ZINC001593204895 994208677 /nfs/dbraw/zinc/20/86/77/994208677.db2.gz XDLMSCWWSWDPKJ-CHWSQXEVSA-N 0 2 380.404 3.432 20 0 GGADLN C[C@@H]([NH2+][C@@H](CO)c1ccc(Br)c(F)c1)c1ncc(C(=O)[O-])s1 ZINC001593210369 994248126 /nfs/dbraw/zinc/24/81/26/994248126.db2.gz QOFQIXMWLHNFFI-HQJQHLMTSA-N 0 2 389.246 3.127 20 0 GGADLN C[C@@H]([NH2+][C@@H](c1ccco1)c1ccccc1)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC001593211198 994262954 /nfs/dbraw/zinc/26/29/54/994262954.db2.gz WWVINEFNZMEBIU-FOIQADDNSA-N 0 2 378.428 3.362 20 0 GGADLN C[C@]([NH2+]CC(=O)N1CCC(Cc2ccccc2)CC1)(C(=O)[O-])c1ccc(F)cc1 ZINC001593231684 994376389 /nfs/dbraw/zinc/37/63/89/994376389.db2.gz RDWPWOCTWIWSGF-HSZRJFAPSA-N 0 2 398.478 3.196 20 0 GGADLN C[C@@H]([NH2+]CC(=O)N[C@@H](c1cccs1)C(C)(C)C)c1ncc(C(=O)[O-])s1 ZINC001593231667 994376472 /nfs/dbraw/zinc/37/64/72/994376472.db2.gz QWSZPQHYZNHHQZ-YGRLFVJLSA-N 0 2 381.523 3.457 20 0 GGADLN C[C@@H]([NH2+]CC(=O)N[C@H](c1cccs1)C(C)(C)C)c1ncc(C(=O)[O-])s1 ZINC001593231666 994376834 /nfs/dbraw/zinc/37/68/34/994376834.db2.gz QWSZPQHYZNHHQZ-QMTHXVAHSA-N 0 2 381.523 3.457 20 0 GGADLN C[C@@]([NH2+][C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)(C(=O)[O-])c1ccccc1 ZINC001593233718 994393561 /nfs/dbraw/zinc/39/35/61/994393561.db2.gz SVGBUFRLXGHTAF-APWZRJJASA-N 0 2 376.815 3.174 20 0 GGADLN C[C@@]([NH2+]CC(=O)Nc1cccc(C(F)(F)F)c1)(C(=O)[O-])c1ccc(F)cc1 ZINC001593236751 994407654 /nfs/dbraw/zinc/40/76/54/994407654.db2.gz IMLAZHZLGCLVCJ-KRWDZBQOSA-N 0 2 384.329 3.373 20 0 GGADLN C[C@]([NH2+]CC(=O)Nc1cccc(C(F)(F)F)c1)(C(=O)[O-])c1ccc(F)cc1 ZINC001593236752 994408083 /nfs/dbraw/zinc/40/80/83/994408083.db2.gz IMLAZHZLGCLVCJ-QGZVFWFLSA-N 0 2 384.329 3.373 20 0 GGADLN C[C@H]([NH2+]CC(=O)Nc1sc2c(c1C(=O)[O-])CCCC2)c1c(F)cncc1F ZINC001593241164 994435809 /nfs/dbraw/zinc/43/58/09/994435809.db2.gz WGNMWUSDSOHIBB-VIFPVBQESA-N 0 2 395.431 3.288 20 0 GGADLN COc1cccc([C@](C)(CC(=O)[O-])[NH2+]Cc2nc(-c3ccccc3F)no2)c1 ZINC001599655307 994570072 /nfs/dbraw/zinc/57/00/72/994570072.db2.gz IXOXGJJONCJQFD-FQEVSTJZSA-N 0 2 385.395 3.364 20 0 GGADLN COc1cccc([C@H](C)N2CC[NH+](Cc3ccccc3OCC(=O)[O-])CC2)c1 ZINC001599655435 994571660 /nfs/dbraw/zinc/57/16/60/994571660.db2.gz QXNWTEYWARSPJF-KRWDZBQOSA-N 0 2 384.476 3.037 20 0 GGADLN C[C@@H]([NH2+]CCOc1ccc(/C=C\C(=O)[O-])cc1)c1noc(Cc2ccccc2)n1 ZINC001593271874 994606639 /nfs/dbraw/zinc/60/66/39/994606639.db2.gz MRMUXUQNCFVDSB-HMWXGYMHSA-N 0 2 393.443 3.488 20 0 GGADLN C[C@H]([NH2+]Cc1cc(C(=O)[O-])ccc1Br)c1nnc2ccccn21 ZINC001593288466 994656573 /nfs/dbraw/zinc/65/65/73/994656573.db2.gz KISYXFKEOCODAO-JTQLQIEISA-N 0 2 375.226 3.041 20 0 GGADLN COc1cccc([C@H]2CCC[N@@H+]2Cc2nc3cc(C(=O)[O-])ccc3c(=O)[nH]2)c1 ZINC001599666991 994745426 /nfs/dbraw/zinc/74/54/26/994745426.db2.gz VXKIHYQFABFSAO-GOSISDBHSA-N 0 2 379.416 3.379 20 0 GGADLN COc1cccc([C@H]2CCC[N@H+]2Cc2nc3cc(C(=O)[O-])ccc3c(=O)[nH]2)c1 ZINC001599666991 994745438 /nfs/dbraw/zinc/74/54/38/994745438.db2.gz VXKIHYQFABFSAO-GOSISDBHSA-N 0 2 379.416 3.379 20 0 GGADLN COc1cccc(C[NH+]2CCN(Cc3ccc(C4(C(=O)[O-])CC4)cc3)CC2)c1 ZINC001599672179 994831716 /nfs/dbraw/zinc/83/17/16/994831716.db2.gz CYALPDQARCQFBU-UHFFFAOYSA-N 0 2 380.488 3.129 20 0 GGADLN COc1cccc(C[NH+]2CCN(Cc3c4ccccc4[nH]c3C(=O)[O-])CC2)c1 ZINC001599672119 994832355 /nfs/dbraw/zinc/83/23/55/994832355.db2.gz AZCCKUAMSICAOR-UHFFFAOYSA-N 0 2 379.460 3.193 20 0 GGADLN COC(=O)[C@@H](c1cccc(C(=O)[O-])c1)[N@@H+]1CCC[C@]2(C1)OCc1ccccc12 ZINC001598711585 995355625 /nfs/dbraw/zinc/35/56/25/995355625.db2.gz HRUBHYPDYUHMEW-DENIHFKCSA-N 0 2 381.428 3.120 20 0 GGADLN COC(=O)[C@@H](c1cccc(C(=O)[O-])c1)[N@H+]1CCC[C@]2(C1)OCc1ccccc12 ZINC001598711585 995355630 /nfs/dbraw/zinc/35/56/30/995355630.db2.gz HRUBHYPDYUHMEW-DENIHFKCSA-N 0 2 381.428 3.120 20 0 GGADLN COC(=O)[C@H](c1cccc(C(=O)[O-])c1)[NH+]1CCC([C@H](O)c2ccccc2C)CC1 ZINC001598713090 995371253 /nfs/dbraw/zinc/37/12/53/995371253.db2.gz NNKVECTZCYDXDU-SFTDATJTSA-N 0 2 397.471 3.353 20 0 GGADLN COC(=O)[C@H](c1cccc(C(=O)[O-])c1)[N@@H+]1CCC[C@H](c2cc(C(C)C)n[nH]2)C1 ZINC001598713929 995381819 /nfs/dbraw/zinc/38/18/19/995381819.db2.gz SVGJYCSMXWRXRD-LPHOPBHVSA-N 0 2 385.464 3.325 20 0 GGADLN COC(=O)[C@H](c1cccc(C(=O)[O-])c1)[N@H+]1CCC[C@H](c2cc(C(C)C)n[nH]2)C1 ZINC001598713929 995381827 /nfs/dbraw/zinc/38/18/27/995381827.db2.gz SVGJYCSMXWRXRD-LPHOPBHVSA-N 0 2 385.464 3.325 20 0 GGADLN COC(=O)[C@H](c1cccc(C(=O)[O-])c1)[N@@H+]1CCC[C@H](c2cc(C(C)C)[nH]n2)C1 ZINC001598713929 995381834 /nfs/dbraw/zinc/38/18/34/995381834.db2.gz SVGJYCSMXWRXRD-LPHOPBHVSA-N 0 2 385.464 3.325 20 0 GGADLN COC(=O)[C@H](c1cccc(C(=O)[O-])c1)[N@H+]1CCC[C@H](c2cc(C(C)C)[nH]n2)C1 ZINC001598713929 995381837 /nfs/dbraw/zinc/38/18/37/995381837.db2.gz SVGJYCSMXWRXRD-LPHOPBHVSA-N 0 2 385.464 3.325 20 0 GGADLN COC(=O)[C@@H](c1cccc(C(=O)[O-])c1)[N@@H+]1CCC[C@H](c2cc(C(C)C)n[nH]2)C1 ZINC001598714220 995385025 /nfs/dbraw/zinc/38/50/25/995385025.db2.gz SVGJYCSMXWRXRD-QFBILLFUSA-N 0 2 385.464 3.325 20 0 GGADLN COC(=O)[C@@H](c1cccc(C(=O)[O-])c1)[N@H+]1CCC[C@H](c2cc(C(C)C)n[nH]2)C1 ZINC001598714220 995385032 /nfs/dbraw/zinc/38/50/32/995385032.db2.gz SVGJYCSMXWRXRD-QFBILLFUSA-N 0 2 385.464 3.325 20 0 GGADLN COC(=O)[C@@H](c1cccc(C(=O)[O-])c1)[N@@H+]1CCC[C@H](c2cc(C(C)C)[nH]n2)C1 ZINC001598714220 995385041 /nfs/dbraw/zinc/38/50/41/995385041.db2.gz SVGJYCSMXWRXRD-QFBILLFUSA-N 0 2 385.464 3.325 20 0 GGADLN COC(=O)[C@@H](c1cccc(C(=O)[O-])c1)[N@H+]1CCC[C@H](c2cc(C(C)C)[nH]n2)C1 ZINC001598714220 995385051 /nfs/dbraw/zinc/38/50/51/995385051.db2.gz SVGJYCSMXWRXRD-QFBILLFUSA-N 0 2 385.464 3.325 20 0 GGADLN COC(=O)[C@@H]1C[C@@H](C(=O)[O-])CC[N@@H+]1Cc1ccc(Oc2cccc(F)c2)cc1 ZINC001598758663 995751284 /nfs/dbraw/zinc/75/12/84/995751284.db2.gz LOQJNIWZYPQHIR-KXBFYZLASA-N 0 2 387.407 3.456 20 0 GGADLN COC(=O)[C@@H]1C[C@@H](C(=O)[O-])CC[N@H+]1Cc1ccc(Oc2cccc(F)c2)cc1 ZINC001598758663 995751291 /nfs/dbraw/zinc/75/12/91/995751291.db2.gz LOQJNIWZYPQHIR-KXBFYZLASA-N 0 2 387.407 3.456 20 0 GGADLN COC(=O)[C@@H]1C[C@H](C(=O)[O-])CC[N@@H+]1Cc1ccc(SC(F)(F)F)cc1 ZINC001598762109 995787631 /nfs/dbraw/zinc/78/76/31/995787631.db2.gz UEDYTEFZIGSWJH-YPMHNXCESA-N 0 2 377.384 3.137 20 0 GGADLN COC(=O)[C@@H]1C[C@H](C(=O)[O-])CC[N@H+]1Cc1ccc(SC(F)(F)F)cc1 ZINC001598762109 995787638 /nfs/dbraw/zinc/78/76/38/995787638.db2.gz UEDYTEFZIGSWJH-YPMHNXCESA-N 0 2 377.384 3.137 20 0 GGADLN C[C@H](Oc1ccc(C[N@@H+]2CC(C)(C)O[C@](C)(C(F)(F)F)C2)cc1)C(=O)[O-] ZINC001593615031 995828656 /nfs/dbraw/zinc/82/86/56/995828656.db2.gz DZOLPHYUBYNBQI-SJCJKPOMSA-N 0 2 375.387 3.470 20 0 GGADLN C[C@H](Oc1ccc(C[N@H+]2CC(C)(C)O[C@](C)(C(F)(F)F)C2)cc1)C(=O)[O-] ZINC001593615031 995828660 /nfs/dbraw/zinc/82/86/60/995828660.db2.gz DZOLPHYUBYNBQI-SJCJKPOMSA-N 0 2 375.387 3.470 20 0 GGADLN C[C@@H](Oc1ccc(C[NH2+][C@@H](C)c2nc(Cc3ccccc3)no2)cc1)C(=O)[O-] ZINC001593617607 995852685 /nfs/dbraw/zinc/85/26/85/995852685.db2.gz KYIOWAGZSPOPKE-LSDHHAIUSA-N 0 2 381.432 3.363 20 0 GGADLN C[C@@H](Oc1ccc(NC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc1F)C(=O)[O-] ZINC001593632271 995919168 /nfs/dbraw/zinc/91/91/68/995919168.db2.gz SQTGJKQOHVMGKE-CYBMUJFWSA-N 0 2 398.394 3.185 20 0 GGADLN C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)[O-] ZINC001593664505 996052527 /nfs/dbraw/zinc/05/25/27/996052527.db2.gz WNJQIFMEZNIVCP-PRHODGIISA-N 0 2 388.276 3.009 20 0 GGADLN C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)[O-] ZINC001593664505 996052531 /nfs/dbraw/zinc/05/25/31/996052531.db2.gz WNJQIFMEZNIVCP-PRHODGIISA-N 0 2 388.276 3.009 20 0 GGADLN C[C@@H](c1ccc(F)cc1)N1CC[C@@H]([N@@H+]2CCOc3cc(C(=O)[O-])ccc3C2)C1=O ZINC001593697779 996157648 /nfs/dbraw/zinc/15/76/48/996157648.db2.gz OPNPYJGRJCGLPW-IFXJQAMLSA-N 0 2 398.434 3.080 20 0 GGADLN C[C@@H](c1ccc(F)cc1)N1CC[C@@H]([N@H+]2CCOc3cc(C(=O)[O-])ccc3C2)C1=O ZINC001593697779 996157651 /nfs/dbraw/zinc/15/76/51/996157651.db2.gz OPNPYJGRJCGLPW-IFXJQAMLSA-N 0 2 398.434 3.080 20 0 GGADLN C[C@@H](c1ccc(F)cc1)N1CC[C@H]([N@@H+]2CCOc3cc(C(=O)[O-])ccc3C2)C1=O ZINC001593697781 996157672 /nfs/dbraw/zinc/15/76/72/996157672.db2.gz OPNPYJGRJCGLPW-LIRRHRJNSA-N 0 2 398.434 3.080 20 0 GGADLN C[C@@H](c1ccc(F)cc1)N1CC[C@H]([N@H+]2CCOc3cc(C(=O)[O-])ccc3C2)C1=O ZINC001593697781 996157674 /nfs/dbraw/zinc/15/76/74/996157674.db2.gz OPNPYJGRJCGLPW-LIRRHRJNSA-N 0 2 398.434 3.080 20 0 GGADLN COC(=O)[C@@H]1CC[N@H+](Cc2cnc(-c3ccc(Cl)cc3)s2)[C@H](C(=O)[O-])C1 ZINC001598803474 996161118 /nfs/dbraw/zinc/16/11/18/996161118.db2.gz LXVBSUOCOHIWGK-DOMZBBRYSA-N 0 2 394.880 3.302 20 0 GGADLN COC(=O)[C@@H]1CC[N@@H+](Cc2cnc(-c3ccc(Cl)cc3)s2)[C@H](C(=O)[O-])C1 ZINC001598803474 996161121 /nfs/dbraw/zinc/16/11/21/996161121.db2.gz LXVBSUOCOHIWGK-DOMZBBRYSA-N 0 2 394.880 3.302 20 0 GGADLN C[C@H](c1cccc(NC(=O)N[C@@H](CC(=O)[O-])C(C)(C)C)c1)[NH+]1CCOCC1 ZINC001593703733 996181299 /nfs/dbraw/zinc/18/12/99/996181299.db2.gz UBBQDLZJHQJEAF-PBHICJAKSA-N 0 2 377.485 3.091 20 0 GGADLN C[C@@H](c1cccc(NC(=O)N[C@@H](CC(=O)[O-])C2CCCC2)c1)[NH+]1CCOCC1 ZINC001593703770 996182016 /nfs/dbraw/zinc/18/20/16/996182016.db2.gz UVHFNSXQAUHKEG-KXBFYZLASA-N 0 2 389.496 3.235 20 0 GGADLN C[C@H](c1ccccc1F)[N@H+](C)CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC001593716728 996232665 /nfs/dbraw/zinc/23/26/65/996232665.db2.gz BXIAWLSMSMAODI-JLTOFOAXSA-N 0 2 397.450 3.112 20 0 GGADLN C[C@H](c1ccccc1F)[N@@H+](C)CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC001593716728 996232672 /nfs/dbraw/zinc/23/26/72/996232672.db2.gz BXIAWLSMSMAODI-JLTOFOAXSA-N 0 2 397.450 3.112 20 0 GGADLN C[C@@H](c1cccnc1)[NH+]1CCN(Cc2ccc(C(=O)[O-])c3cccnc23)CC1 ZINC001593718752 996239412 /nfs/dbraw/zinc/23/94/12/996239412.db2.gz AEIBFPWKTLJQMA-INIZCTEOSA-N 0 2 376.460 3.207 20 0 GGADLN C[C@H](c1nc(-c2cccc(C(=O)[O-])c2)no1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC001593725127 996273524 /nfs/dbraw/zinc/27/35/24/996273524.db2.gz QOZDKOFWOLEHQS-CQSZACIVSA-N 0 2 396.422 3.457 20 0 GGADLN C[C@@H](c1nc(C(=O)[O-])co1)[NH+]1CCC(Oc2ccc(C(F)(F)F)cn2)CC1 ZINC001593725858 996283856 /nfs/dbraw/zinc/28/38/56/996283856.db2.gz VFGQKIVPQITTFL-JTQLQIEISA-N 0 2 385.342 3.391 20 0 GGADLN C[C@H](c1ncc(C(=O)[O-])s1)[N@@H+]1CC[C@@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC001593731509 996303081 /nfs/dbraw/zinc/30/30/81/996303081.db2.gz GHOSTJXPGWQEPK-KZULUSFZSA-N 0 2 381.498 3.378 20 0 GGADLN C[C@H](c1ncc(C(=O)[O-])s1)[N@H+]1CC[C@@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC001593731509 996303088 /nfs/dbraw/zinc/30/30/88/996303088.db2.gz GHOSTJXPGWQEPK-KZULUSFZSA-N 0 2 381.498 3.378 20 0 GGADLN C[C@@H](c1nc(Cc2ccc(F)cc2)no1)[N@@H+]1CC[C@@](C(=O)[O-])(C(F)(F)F)C1 ZINC001593732838 996316229 /nfs/dbraw/zinc/31/62/29/996316229.db2.gz AFDIKVANAVASFP-MGPLVRAMSA-N 0 2 387.333 3.200 20 0 GGADLN C[C@@H](c1nc(Cc2ccc(F)cc2)no1)[N@H+]1CC[C@@](C(=O)[O-])(C(F)(F)F)C1 ZINC001593732838 996316234 /nfs/dbraw/zinc/31/62/34/996316234.db2.gz AFDIKVANAVASFP-MGPLVRAMSA-N 0 2 387.333 3.200 20 0 GGADLN C[C@H](c1ncc(C(=O)[O-])s1)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC001593736506 996327009 /nfs/dbraw/zinc/32/70/09/996327009.db2.gz BFCXNLHAPKLJGZ-CYBMUJFWSA-N 0 2 395.912 3.252 20 0 GGADLN C[C@H](c1nnc(SCC2(CC(=O)[O-])CC2)n1-c1ccc(F)cc1)[NH+](C)C ZINC001593737364 996335149 /nfs/dbraw/zinc/33/51/49/996335149.db2.gz GMASSRFJMYZTIM-GFCCVEGCSA-N 0 2 378.473 3.376 20 0 GGADLN C[C@H](c1nnc(SCc2oncc2C(=O)[O-])n1-c1ccc(F)cc1)[NH+](C)C ZINC001593738505 996347988 /nfs/dbraw/zinc/34/79/88/996347988.db2.gz VXGVZBXSNKYHFW-SNVBAGLBSA-N 0 2 391.428 3.008 20 0 GGADLN COCc1cc(NC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)cc(C(=O)[O-])c1 ZINC001599286062 996980274 /nfs/dbraw/zinc/98/02/74/996980274.db2.gz MUOCDEWBWVZZAE-UHFFFAOYSA-N 0 2 394.431 3.098 20 0 GGADLN COc1ccc(C(=O)[O-])c2c1C[N@H+](Cc1nc3cc(Cl)ccc3n1C)CC2 ZINC001599498574 997066120 /nfs/dbraw/zinc/06/61/20/997066120.db2.gz RNEBYWLRJVRNCP-UHFFFAOYSA-N 0 2 385.851 3.492 20 0 GGADLN COc1ccc(C(=O)[O-])c2c1C[N@@H+](Cc1nc3cc(Cl)ccc3n1C)CC2 ZINC001599498574 997066134 /nfs/dbraw/zinc/06/61/34/997066134.db2.gz RNEBYWLRJVRNCP-UHFFFAOYSA-N 0 2 385.851 3.492 20 0 GGADLN CO[C@]1(C(F)(F)F)CCC[N@@H+]([C@@H](C)C(=O)Nc2cc(C(=O)[O-])ccc2C)C1 ZINC001599084374 997069323 /nfs/dbraw/zinc/06/93/23/997069323.db2.gz SZHMLRBFQJNUSD-YVEFUNNKSA-N 0 2 388.386 3.064 20 0 GGADLN CO[C@]1(C(F)(F)F)CCC[N@H+]([C@@H](C)C(=O)Nc2cc(C(=O)[O-])ccc2C)C1 ZINC001599084374 997069335 /nfs/dbraw/zinc/06/93/35/997069335.db2.gz SZHMLRBFQJNUSD-YVEFUNNKSA-N 0 2 388.386 3.064 20 0 GGADLN COCc1ccc(C[N@@H+]2Cc3cccc(Br)c3C[C@@H]2C(=O)[O-])o1 ZINC001599294750 997120403 /nfs/dbraw/zinc/12/04/03/997120403.db2.gz XIXXYMKSXJBDII-MRXNPFEDSA-N 0 2 380.238 3.200 20 0 GGADLN COCc1ccc(C[N@H+]2Cc3cccc(Br)c3C[C@@H]2C(=O)[O-])o1 ZINC001599294750 997120411 /nfs/dbraw/zinc/12/04/11/997120411.db2.gz XIXXYMKSXJBDII-MRXNPFEDSA-N 0 2 380.238 3.200 20 0 GGADLN COCc1ccc(C[N@@H+]2Cc3cccc(Br)c3C[C@H]2C(=O)[O-])o1 ZINC001599294746 997120542 /nfs/dbraw/zinc/12/05/42/997120542.db2.gz XIXXYMKSXJBDII-INIZCTEOSA-N 0 2 380.238 3.200 20 0 GGADLN COCc1ccc(C[N@H+]2Cc3cccc(Br)c3C[C@H]2C(=O)[O-])o1 ZINC001599294746 997120556 /nfs/dbraw/zinc/12/05/56/997120556.db2.gz XIXXYMKSXJBDII-INIZCTEOSA-N 0 2 380.238 3.200 20 0 GGADLN COc1cc(C[N@H+](C)CC(=O)N(C)c2ccccc2C(=O)[O-])ccc1SC ZINC001599405550 997289364 /nfs/dbraw/zinc/28/93/64/997289364.db2.gz DOAFKOYBPOYNFK-UHFFFAOYSA-N 0 2 388.489 3.210 20 0 GGADLN COc1cc(C[N@@H+](C)CC(=O)N(C)c2ccccc2C(=O)[O-])ccc1SC ZINC001599405550 997289374 /nfs/dbraw/zinc/28/93/74/997289374.db2.gz DOAFKOYBPOYNFK-UHFFFAOYSA-N 0 2 388.489 3.210 20 0 GGADLN COC(=O)c1c(C)[nH]c(C(=O)C[NH2+][C@@]2(C(=O)[O-])CC[C@H](C)c3ccccc32)c1C ZINC001598912213 997391216 /nfs/dbraw/zinc/39/12/16/997391216.db2.gz IADCVPSOMITMRH-YTEVENLXSA-N 0 2 398.459 3.068 20 0 GGADLN COc1ccc([C@H](NC(=O)C[NH2+][C@@H](C(=O)[O-])c2ccc(C)c(C)c2)C2CC2)cc1 ZINC001599520011 997462412 /nfs/dbraw/zinc/46/24/12/997462412.db2.gz KBFAYUGOQLXEGR-FGZHOGPDSA-N 0 2 396.487 3.295 20 0 GGADLN COc1cc(Cl)c(C)cc1NC(=O)CCNc1cc(CC(=O)[O-])cc[nH+]1 ZINC001599418022 997543797 /nfs/dbraw/zinc/54/37/97/997543797.db2.gz JEOZEQBCLDIIJP-UHFFFAOYSA-N 0 2 377.828 3.120 20 0 GGADLN COc1cc(Cl)c(C)cc1NC(=O)C[N@H+](CCc1ccccc1)CC(=O)[O-] ZINC001599418952 997560390 /nfs/dbraw/zinc/56/03/90/997560390.db2.gz XRMCGVAKCZFDAZ-UHFFFAOYSA-N 0 2 390.867 3.225 20 0 GGADLN COc1cc(Cl)c(C)cc1NC(=O)C[N@@H+](CCc1ccccc1)CC(=O)[O-] ZINC001599418952 997560401 /nfs/dbraw/zinc/56/04/01/997560401.db2.gz XRMCGVAKCZFDAZ-UHFFFAOYSA-N 0 2 390.867 3.225 20 0 GGADLN COc1ccc([C@@H]([NH2+]CC(=O)NCc2cccc(Cl)c2)C(=O)[O-])cc1Cl ZINC001599527690 997591437 /nfs/dbraw/zinc/59/14/37/997591437.db2.gz OPKJYWUPKKNVLT-QGZVFWFLSA-N 0 2 397.258 3.034 20 0 GGADLN CO[C@@H]1CCC[C@@H]([C@H]([NH2+]Cc2nnc(-c3ccccc3Cl)o2)C(=O)[O-])C1 ZINC001599112345 997591989 /nfs/dbraw/zinc/59/19/89/997591989.db2.gz LWLBPGVUDLQMFG-HSMVNMDESA-N 0 2 379.844 3.138 20 0 GGADLN CO[C@@H]1CCC[C@H]([C@@H]([NH2+]Cc2nnc(-c3ccccc3Cl)o2)C(=O)[O-])C1 ZINC001599112346 997592239 /nfs/dbraw/zinc/59/22/39/997592239.db2.gz LWLBPGVUDLQMFG-HWWQOWPSSA-N 0 2 379.844 3.138 20 0 GGADLN COc1ccc([C@H]([NH2+]CC(=O)NCCC2CCCCC2)C(=O)[O-])cc1Cl ZINC001599528789 997611175 /nfs/dbraw/zinc/61/11/75/997611175.db2.gz YGVPSPILHUSOLJ-SFHVURJKSA-N 0 2 382.888 3.151 20 0 GGADLN COc1cc(F)cc(C[NH+]2CCN([C@H](C(=O)[O-])c3ccc(Cl)cc3)CC2)c1 ZINC001599426380 997683702 /nfs/dbraw/zinc/68/37/02/997683702.db2.gz NMRWVFZSIXOBDC-IBGZPJMESA-N 0 2 392.858 3.431 20 0 GGADLN COC(=O)c1cc(C[N@@H+]2C[C@@H](C)O[C@@H](c3ccsc3)C2)cc(C(=O)[O-])c1 ZINC001598930706 997747536 /nfs/dbraw/zinc/74/75/36/997747536.db2.gz DTDKCURDQHJMKH-SJKOYZFVSA-N 0 2 375.446 3.195 20 0 GGADLN COC(=O)c1cc(C[N@H+]2C[C@@H](C)O[C@@H](c3ccsc3)C2)cc(C(=O)[O-])c1 ZINC001598930706 997747542 /nfs/dbraw/zinc/74/75/42/997747542.db2.gz DTDKCURDQHJMKH-SJKOYZFVSA-N 0 2 375.446 3.195 20 0 GGADLN COC(=O)c1cc(C[N@H+]2C[C@@H](c3ccsc3)O[C@@H](C)C2)cc(C(=O)[O-])c1 ZINC001598930705 997747889 /nfs/dbraw/zinc/74/78/89/997747889.db2.gz DTDKCURDQHJMKH-SJCJKPOMSA-N 0 2 375.446 3.195 20 0 GGADLN COC(=O)c1cc(C[N@@H+]2C[C@@H](c3ccsc3)O[C@@H](C)C2)cc(C(=O)[O-])c1 ZINC001598930705 997747896 /nfs/dbraw/zinc/74/78/96/997747896.db2.gz DTDKCURDQHJMKH-SJCJKPOMSA-N 0 2 375.446 3.195 20 0 GGADLN C[C@]1(NC(=O)C(F)(F)F)CC[N@H+](Cc2ccc(-c3ccccc3C(=O)[O-])o2)C1 ZINC001594053976 997780434 /nfs/dbraw/zinc/78/04/34/997780434.db2.gz YZTWGAKNUJXXOO-SFHVURJKSA-N 0 2 396.365 3.288 20 0 GGADLN C[C@]1(NC(=O)C(F)(F)F)CC[N@@H+](Cc2ccc(-c3ccccc3C(=O)[O-])o2)C1 ZINC001594053976 997780442 /nfs/dbraw/zinc/78/04/42/997780442.db2.gz 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O=S(=O)(Nc1ccc(CC(F)(F)F)cc1)c1cnn(CC(F)(F)F)c1 ZINC000186998975 565301482 /nfs/dbraw/zinc/30/14/82/565301482.db2.gz POTPNDTYYXYBRR-UHFFFAOYSA-N 0 2 387.305 3.351 20 0 GGADLN O=S(=O)(Nc1ccccc1CC(F)(F)F)c1cnn(CC(F)(F)F)c1 ZINC000187002068 565301787 /nfs/dbraw/zinc/30/17/87/565301787.db2.gz AMKBLCUDUQAUPE-UHFFFAOYSA-N 0 2 387.305 3.351 20 0 GGADLN CSCCc1ccc(NS(=O)(=O)c2cn(C)nc2C(F)(F)F)cc1 ZINC000296107576 565302389 /nfs/dbraw/zinc/30/23/89/565302389.db2.gz XPUDGRKJWKSTQV-UHFFFAOYSA-N 0 2 379.429 3.145 20 0 GGADLN Cc1cc(C)c(S(=O)(=O)Nc2nnc([C@H]3Cc4ccccc4O3)o2)s1 ZINC000296102813 565302454 /nfs/dbraw/zinc/30/24/54/565302454.db2.gz XKUURWAJMSCFNL-CYBMUJFWSA-N 0 2 377.447 3.225 20 0 GGADLN O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)[C@H]1CCCCS1 ZINC000272989398 565303509 /nfs/dbraw/zinc/30/35/09/565303509.db2.gz RQKSFLLSXMWBJL-CYBMUJFWSA-N 0 2 383.520 3.168 20 0 GGADLN Cc1nc(CC(C)C)c(NS(=O)(=O)c2cnn(CC(F)(F)F)c2)s1 ZINC000187025812 565303986 /nfs/dbraw/zinc/30/39/86/565303986.db2.gz 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ZINC000177299351 565842295 /nfs/dbraw/zinc/84/22/95/565842295.db2.gz LCDJSNYWXSAXDI-UHFFFAOYSA-N 0 2 382.330 3.361 20 0 GGADLN Cc1ccc(-c2nnc(NS(=O)(=O)c3cc(F)c(F)c(F)c3)o2)s1 ZINC000194839887 565842339 /nfs/dbraw/zinc/84/23/39/565842339.db2.gz QQYNZZWWHTVKTJ-UHFFFAOYSA-N 0 2 375.353 3.325 20 0 GGADLN O=S(=O)(Nc1nnc(CCc2ccccc2)o1)c1ccc(F)cc1Cl ZINC000194844203 565842446 /nfs/dbraw/zinc/84/24/46/565842446.db2.gz UUQHETCYVSZAPU-UHFFFAOYSA-N 0 2 381.816 3.448 20 0 GGADLN Cc1ccc(-c2nnc(NS(=O)(=O)c3ccc4c(c3)C[C@H](C)O4)o2)s1 ZINC000194839311 565842506 /nfs/dbraw/zinc/84/25/06/565842506.db2.gz RBWYDZXODXXSGX-VIFPVBQESA-N 0 2 377.447 3.231 20 0 GGADLN CC(C)CCc1nnc(NS(=O)(=O)c2ccccc2OC(F)(F)F)o1 ZINC000194878648 565844197 /nfs/dbraw/zinc/84/41/97/565844197.db2.gz RMEKTVFASVRABJ-UHFFFAOYSA-N 0 2 379.360 3.358 20 0 GGADLN CC(C)CCc1nnc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)o1 ZINC000194874086 565844688 /nfs/dbraw/zinc/84/46/88/565844688.db2.gz PIROJKJPHXATGW-UHFFFAOYSA-N 0 2 379.360 3.358 20 0 GGADLN CC(C)(C)Cc1nnc(NS(=O)(=O)c2cc(Br)ccc2F)o1 ZINC000194868984 565844828 /nfs/dbraw/zinc/84/48/28/565844828.db2.gz PFONMTUHZNLHRP-UHFFFAOYSA-N 0 2 392.250 3.361 20 0 GGADLN O=S(=O)(Nc1nnc([C@H]2CCCO2)o1)c1ccc(Cl)c(C(F)(F)F)c1 ZINC000194891765 565845768 /nfs/dbraw/zinc/84/57/68/565845768.db2.gz BUNDBLCCYFWBOF-SNVBAGLBSA-N 0 2 397.762 3.394 20 0 GGADLN O=S(=O)(Nc1nnc([C@@H]2CCCO2)o1)c1ccc(C(F)(F)F)cc1Cl ZINC000194888898 565845969 /nfs/dbraw/zinc/84/59/69/565845969.db2.gz MMJKQGQSOJGYMD-VIFPVBQESA-N 0 2 397.762 3.394 20 0 GGADLN O=S(=O)(Nc1nnc(CC2CCCC2)o1)c1cnc(Cl)c(Cl)c1 ZINC000194902331 565847103 /nfs/dbraw/zinc/84/71/03/565847103.db2.gz LPRJXTQMGWAREE-UHFFFAOYSA-N 0 2 377.253 3.305 20 0 GGADLN COc1ccc(S(=O)(=O)Nc2nnc(CCCc3cccs3)o2)cc1 ZINC000194927499 565847952 /nfs/dbraw/zinc/84/79/52/565847952.db2.gz STHNBAZAWABVTB-UHFFFAOYSA-N 0 2 379.463 3.116 20 0 GGADLN O=S(=O)(Nc1nnc(Cc2ccccc2F)o1)c1ccc(F)c(Cl)c1 ZINC000194947201 565849297 /nfs/dbraw/zinc/84/92/97/565849297.db2.gz 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Cc1ccsc1-c1nc(=NC(=O)N2CCC([C@H]3CCCO3)CC2)s[nH]1 ZINC000333075384 565864915 /nfs/dbraw/zinc/86/49/15/565864915.db2.gz PIVVIQFIJYDTGV-CYBMUJFWSA-N 0 2 378.523 3.420 20 0 GGADLN Cc1nc(C)c(S(=O)(=O)Nc2nnc(Cc3ccc(C)cc3)s2)s1 ZINC000177784661 565872799 /nfs/dbraw/zinc/87/27/99/565872799.db2.gz QFRIBRKGULXTNY-UHFFFAOYSA-N 0 2 380.520 3.311 20 0 GGADLN O=C(Nc1cccc(S(=O)(=O)Nc2nccs2)c1)[C@@H]1CC12CCCC2 ZINC000333368388 565879724 /nfs/dbraw/zinc/87/97/24/565879724.db2.gz VTRPCABUJMDOFM-AWEZNQCLSA-N 0 2 377.491 3.463 20 0 GGADLN COc1cc(Br)c(S(=O)(=O)Nc2ccc(F)cn2)cc1Cl ZINC000177923843 565881072 /nfs/dbraw/zinc/88/10/72/565881072.db2.gz DQDSPSCZGGSJFY-UHFFFAOYSA-N 0 2 395.637 3.446 20 0 GGADLN Cc1cc(S(=O)(=O)Nc2nc3c(s2)COCC3)sc1Br ZINC000177926083 565881587 /nfs/dbraw/zinc/88/15/87/565881587.db2.gz ACYXENCHLCIBPI-UHFFFAOYSA-N 0 2 395.325 3.149 20 0 GGADLN Cc1cc(S(=O)(=O)Nc2cccnc2-n2cccn2)sc1Br ZINC000177922805 565881598 /nfs/dbraw/zinc/88/15/98/565881598.db2.gz IDLRNDGDWFBQON-UHFFFAOYSA-N 0 2 399.295 3.201 20 0 GGADLN CC(C)[C@@H](NS(=O)(=O)NCC(F)(F)F)c1ccc(C(F)(F)F)cc1 ZINC000195430027 565882547 /nfs/dbraw/zinc/88/25/47/565882547.db2.gz PUJXUYBATLINFY-LLVKDONJSA-N 0 2 378.338 3.389 20 0 GGADLN Cc1cc(NS(=O)(=O)c2ccc(Cl)cc2)n(-c2cc(C)nc(C)n2)n1 ZINC000177932126 565882860 /nfs/dbraw/zinc/88/28/60/565882860.db2.gz ICTSLQGBRFCMTK-UHFFFAOYSA-N 0 2 377.857 3.042 20 0 GGADLN O=S(=O)(NCC(F)(F)F)N1CCC(c2ccc(C(F)(F)F)cc2)CC1 ZINC000195444206 565883394 /nfs/dbraw/zinc/88/33/94/565883394.db2.gz HWHMLPDKZLNSFX-UHFFFAOYSA-N 0 2 390.349 3.282 20 0 GGADLN Cc1nnc(Sc2ccc(NS(=O)(=O)c3c(C)n[nH]c3C)c(C)c2)s1 ZINC000195450411 565884355 /nfs/dbraw/zinc/88/43/55/565884355.db2.gz GSGWJVBQWPFZRI-UHFFFAOYSA-N 0 2 395.535 3.447 20 0 GGADLN Cc1n[nH]c(C)c1S(=O)(=O)Nc1ccc(Sc2ncccn2)cc1C ZINC000195450448 565884409 /nfs/dbraw/zinc/88/44/09/565884409.db2.gz KAOXLPZTJPJNFY-UHFFFAOYSA-N 0 2 375.479 3.077 20 0 GGADLN O=C(N=c1nc(-c2cccc(Cl)c2)[nH]s1)N1CC[C@@H](O)C12CCCC2 ZINC000333496324 565885175 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C[C@H]1CCCC[C@@H]1C(=O)Nc1nnc(NS(=O)(=O)c2ccccc2)s1 ZINC000424714980 566562010 /nfs/dbraw/zinc/56/20/10/566562010.db2.gz GJYHLSXBSOOPEK-AAEUAGOBSA-N 0 2 380.495 3.104 20 0 GGADLN CO[C@@H](c1ccc(Br)cc1)[C@@H](C)NC(=O)N=c1cc(C)c(C)n[nH]1 ZINC000539149398 566565108 /nfs/dbraw/zinc/56/51/08/566565108.db2.gz SCLQHYHCSIBFRK-MLGOLLRUSA-N 0 2 393.285 3.176 20 0 GGADLN CCOc1cccc(NS(=O)(=O)c2ccc(Br)c(OC)c2)n1 ZINC000673897363 566566115 /nfs/dbraw/zinc/56/61/15/566566115.db2.gz BWLQUOIANMAJOQ-UHFFFAOYSA-N 0 2 387.255 3.052 20 0 GGADLN COc1cccc(S(O)=CC(=O)N[C@H](C)CSc2ccc(C)cc2)c1 ZINC000424772236 566568365 /nfs/dbraw/zinc/56/83/65/566568365.db2.gz LMCRJPPPHGYIFD-BZQUYTCOSA-N 0 2 377.531 3.408 20 0 GGADLN COC(=O)c1csc(S(=O)(=O)Nc2ccc(-c3nccs3)cc2)c1 ZINC000604534546 566569136 /nfs/dbraw/zinc/56/91/36/566569136.db2.gz LWMQYTULWYVULV-UHFFFAOYSA-N 0 2 380.472 3.459 20 0 GGADLN CCOc1ccc(NS(=O)(=O)c2cc(C(=O)OC)cs2)cc1OCC ZINC000604534550 566569457 /nfs/dbraw/zinc/56/94/57/566569457.db2.gz 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/nfs/dbraw/zinc/57/56/96/566575696.db2.gz WAIISJRVPVJDKV-NSHDSACASA-N 0 2 380.495 3.104 20 0 GGADLN COc1ccc(-c2nc(S(=O)(=O)CCc3ccccc3Cl)n[nH]2)cc1 ZINC000579077535 566578433 /nfs/dbraw/zinc/57/84/33/566578433.db2.gz WNCRINHHZSACLE-UHFFFAOYSA-N 0 2 377.853 3.150 20 0 GGADLN COc1ccc2nc(NS(=O)(=O)c3ccc(C[NH+](C)C)cc3)sc2c1 ZINC000559963281 566579434 /nfs/dbraw/zinc/57/94/34/566579434.db2.gz FKSIXMSWIQMWNI-UHFFFAOYSA-N 0 2 377.491 3.167 20 0 GGADLN O=S(=O)(Nc1cnn(Cc2ccncc2)c1)c1c(Cl)ccc(F)c1F ZINC000560005600 566584194 /nfs/dbraw/zinc/58/41/94/566584194.db2.gz FXABHMWXEZUZKD-UHFFFAOYSA-N 0 2 384.795 3.059 20 0 GGADLN COc1ccc(NS(=O)(=O)c2cc(C)c(Br)s2)c(OC)n1 ZINC000674334974 566584342 /nfs/dbraw/zinc/58/43/42/566584342.db2.gz CZWQUZCWGRPHFN-UHFFFAOYSA-N 0 2 393.284 3.032 20 0 GGADLN COc1ccc(Cn2cc(NS(=O)(=O)c3cc(C)c(C)s3)cn2)cc1 ZINC000560010195 566585292 /nfs/dbraw/zinc/58/52/92/566585292.db2.gz DJLIBUIBPHXIOD-UHFFFAOYSA-N 0 2 377.491 3.419 20 0 GGADLN COC(=O)CCOc1ccc(NS(=O)(=O)c2cc(Cl)ccc2F)cc1 ZINC000560009968 566585425 /nfs/dbraw/zinc/58/54/25/566585425.db2.gz JAFHTWPLZVYMHE-UHFFFAOYSA-N 0 2 387.816 3.222 20 0 GGADLN COc1cc(NS(=O)(=O)c2cc(Cl)ccc2F)cc(OC)c1OC ZINC000560012335 566585768 /nfs/dbraw/zinc/58/57/68/566585768.db2.gz PCTVSCCWLKIDQF-UHFFFAOYSA-N 0 2 375.805 3.306 20 0 GGADLN C[C@@H](CC(=O)N(CCC(=O)[O-])Cc1cccc(Br)c1)n1cc[nH+]c1 ZINC000652072095 566589538 /nfs/dbraw/zinc/58/95/38/566589538.db2.gz MMINTYFMYSGKGB-ZDUSSCGKSA-N 0 2 394.269 3.100 20 0 GGADLN COC(=O)c1ccsc1NS(=O)(=O)c1ccc(Br)c(C)c1 ZINC000539597841 566590606 /nfs/dbraw/zinc/59/06/06/566590606.db2.gz UIBYGRSPRHKFAO-UHFFFAOYSA-N 0 2 390.280 3.406 20 0 GGADLN COc1cc(OC)cc(S(=O)(=O)Nc2cc(OC)c(Cl)cc2OC)c1 ZINC000486515091 566594514 /nfs/dbraw/zinc/59/45/14/566594514.db2.gz GCLHBXFQVNWTRP-UHFFFAOYSA-N 0 2 387.841 3.175 20 0 GGADLN COc1cccc(S(=O)(=O)Nc2nnc(Cc3ccc(F)cc3)s2)c1 ZINC000674486319 566596249 /nfs/dbraw/zinc/59/62/49/566596249.db2.gz MJCWECMHRYDGLK-UHFFFAOYSA-N 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O=S(=O)(Nc1scnc1C1CC1)c1ccc(OCC(F)(F)F)nc1 ZINC000539770796 566601910 /nfs/dbraw/zinc/60/19/10/566601910.db2.gz ZRTASHQJPOYICN-UHFFFAOYSA-N 0 2 379.385 3.157 20 0 GGADLN CCOc1cc(C(=O)N=c2ccn(CCC(F)(F)F)[nH]2)cc(Cl)c1O ZINC000425083101 566602309 /nfs/dbraw/zinc/60/23/09/566602309.db2.gz HKVJFPWGAVONDO-UHFFFAOYSA-N 0 2 377.750 3.267 20 0 GGADLN O=C(Nc1ccc(-n2cncn2)c(F)c1)c1cccc(Br)c1O ZINC000539840510 566606187 /nfs/dbraw/zinc/60/61/87/566606187.db2.gz BIOWJBCBNHXGAA-UHFFFAOYSA-N 0 2 377.173 3.127 20 0 GGADLN O=C(NC1CC1)c1ccc(NC(=O)c2cccc(Br)c2O)cc1 ZINC000539845401 566606307 /nfs/dbraw/zinc/60/63/07/566606307.db2.gz JUJBEWUMACEFFN-UHFFFAOYSA-N 0 2 375.222 3.299 20 0 GGADLN COc1ccc(O)c(C(=O)Nc2nc(-c3ccc(Br)cc3)n[nH]2)c1 ZINC000539840898 566607082 /nfs/dbraw/zinc/60/70/82/566607082.db2.gz PLITXDDUBJKFGV-UHFFFAOYSA-N 0 2 389.209 3.201 20 0 GGADLN CCOc1ccc(S(=O)(=O)Nc2nc(-c3ccccc3)ns2)c(C)c1 ZINC000605432263 566607237 /nfs/dbraw/zinc/60/72/37/566607237.db2.gz PAUVGGOTQZCZDZ-UHFFFAOYSA-N 0 2 375.475 3.135 20 0 GGADLN Cc1nc(CCC(=O)N=c2cccn[nH]2)oc1-c1ccc(Br)cc1 ZINC000605468477 566608243 /nfs/dbraw/zinc/60/82/43/566608243.db2.gz WHMDIMFRZWMHLN-UHFFFAOYSA-N 0 2 387.237 3.196 20 0 GGADLN O=C(N=c1cccn[nH]1)c1cccnc1Sc1ccc(Br)cc1 ZINC000605470647 566608443 /nfs/dbraw/zinc/60/84/43/566608443.db2.gz OJPOQRJVEBJLOV-UHFFFAOYSA-N 0 2 387.262 3.460 20 0 GGADLN O=C(N=c1cccn[nH]1)c1ccc(NC(=O)c2ccc(Br)cc2)cc1 ZINC000605470725 566609031 /nfs/dbraw/zinc/60/90/31/566609031.db2.gz OXXBCTGTVHJQIM-UHFFFAOYSA-N 0 2 397.232 3.166 20 0 GGADLN O=C(N=c1cccn[nH]1)[C@H](Oc1cccc(Br)c1)c1ccccc1 ZINC000605471145 566609044 /nfs/dbraw/zinc/60/90/44/566609044.db2.gz GCTOTEXTKKYQTJ-QGZVFWFLSA-N 0 2 384.233 3.420 20 0 GGADLN O=C(Nc1cccc(-c2n[nH]c(=O)[nH]2)c1)c1cccc(F)c1Br ZINC000513584721 566610120 /nfs/dbraw/zinc/61/01/20/566610120.db2.gz ZJYNDZLARUSICP-UHFFFAOYSA-N 0 2 377.173 3.331 20 0 GGADLN CC(=O)Nc1ncccc1NS(=O)(=O)c1cc(C)c(Br)cc1C ZINC000466958400 566610276 /nfs/dbraw/zinc/61/02/76/566610276.db2.gz 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390.443 3.309 20 0 GGADLN COc1cc(OC)cc([C@@H]([NH2+]Cc2cccc(C(=O)[O-])c2)c2nccn2C)c1 ZINC000820775141 598202637 /nfs/dbraw/zinc/20/26/37/598202637.db2.gz NQWNUPJPWJKFTN-LJQANCHMSA-N 0 2 381.432 3.015 20 0 GGADLN CSCc1ccc(NC(=O)CCc2c(C)[nH]c(=O)c(-c3nn[nH]n3)c2C)cc1 ZINC000737182748 598450097 /nfs/dbraw/zinc/45/00/97/598450097.db2.gz SQIXWCVCUJGSJB-UHFFFAOYSA-N 0 2 398.492 3.018 20 0 GGADLN COc1ccc(-c2nn[nH]n2)cc1CSc1nc(C=Cc2ccc(C)o2)n[nH]1 ZINC000821752765 607378081 /nfs/dbraw/zinc/37/80/81/607378081.db2.gz SPUAEFFFSZQQFT-VURMDHGXSA-N 0 2 395.448 3.358 20 0 GGADLN Cc1cc(C)n(Cc2cccc(C(N)=[NH+]OCc3ccc(C(=O)[O-])cc3)c2)n1 ZINC000738377086 599708944 /nfs/dbraw/zinc/70/89/44/599708944.db2.gz OGOIWMLSRXUAHK-UHFFFAOYSA-N 0 2 378.432 3.293 20 0 GGADLN COc1cc(C[N@H+](C)CC(=O)c2[nH]c(C)c(C(=O)[O-])c2C)ccc1SC ZINC000737880454 599714453 /nfs/dbraw/zinc/71/44/53/599714453.db2.gz GALLCUXHMULBDY-UHFFFAOYSA-N 0 2 376.478 3.375 20 0 GGADLN COc1cc(C[N@@H+](C)CC(=O)c2[nH]c(C)c(C(=O)[O-])c2C)ccc1SC ZINC000737880454 599714455 /nfs/dbraw/zinc/71/44/55/599714455.db2.gz GALLCUXHMULBDY-UHFFFAOYSA-N 0 2 376.478 3.375 20 0 GGADLN C[C@@H](NC(=O)C[NH2+][C@H](C(=O)[O-])c1ccccc1)c1ccc(Br)cc1 ZINC000324435784 599758003 /nfs/dbraw/zinc/75/80/03/599758003.db2.gz RFNOKIWQNWQSQS-PXAZEXFGSA-N 0 2 391.265 3.042 20 0 GGADLN O=C([O-])[C@@H]([NH2+]CC(=O)Nc1nc(-c2ccc(F)cc2)cs1)c1ccccc1 ZINC000739309400 599760433 /nfs/dbraw/zinc/76/04/33/599760433.db2.gz YFHJDAFCPCYTPK-KRWDZBQOSA-N 0 2 385.420 3.303 20 0 GGADLN CCc1[nH]c(C(=O)Nc2cccc([C@@H](C)[NH+]3CCOCC3)c2)c(C)c1C(=O)[O-] ZINC000737245180 599765684 /nfs/dbraw/zinc/76/56/84/599765684.db2.gz IBDCRQBQQDFZHH-CQSZACIVSA-N 0 2 385.464 3.229 20 0 GGADLN Cc1c(Br)c(C(=O)[O-])nn1C[N@@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC000738252355 599778377 /nfs/dbraw/zinc/77/83/77/599778377.db2.gz AELCEDQTSNXOND-GFCCVEGCSA-N 0 2 382.233 3.238 20 0 GGADLN Cc1c(Br)c(C(=O)[O-])nn1C[N@H+]1CC[C@@H](c2cccc(F)c2)C1 ZINC000738252355 599778380 /nfs/dbraw/zinc/77/83/80/599778380.db2.gz AELCEDQTSNXOND-GFCCVEGCSA-N 0 2 382.233 3.238 20 0 GGADLN CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[NH2+][C@H](C(=O)[O-])c1ccccc1 ZINC000737450867 599781547 /nfs/dbraw/zinc/78/15/47/599781547.db2.gz FTAYXFHWOWQPPB-KRWDZBQOSA-N 0 2 381.259 3.367 20 0 GGADLN COc1ccc(-c2csc(NC(=O)C[NH2+][C@@H](C(=O)[O-])c3ccccc3)n2)cc1 ZINC000737913046 599784261 /nfs/dbraw/zinc/78/42/61/599784261.db2.gz XLUQBDZCXDYROJ-GOSISDBHSA-N 0 2 397.456 3.173 20 0 GGADLN O=C([O-])[C@H]([NH2+]CC(=O)Nc1ccccc1C(=O)c1ccccc1)c1ccccc1 ZINC000739306700 599785037 /nfs/dbraw/zinc/78/50/37/599785037.db2.gz HQSUXHHFMJKQNH-OAQYLSRUSA-N 0 2 388.423 3.272 20 0 GGADLN O=C([O-])[C@H]([NH2+]CC(=O)Nc1cc(F)cc(F)c1)c1ccc(Br)cc1 ZINC000739308659 599789651 /nfs/dbraw/zinc/78/96/51/599789651.db2.gz SHHXUHLBPQBQBV-OAHLLOKOSA-N 0 2 399.191 3.081 20 0 GGADLN O=C([O-])[C@@H]([NH2+]CC(=O)Nc1cccc(Cl)c1)c1ccc(Br)cc1 ZINC000739306672 599790506 /nfs/dbraw/zinc/79/05/06/599790506.db2.gz HEMWBABHZMGGQF-HNNXBMFYSA-N 0 2 397.656 3.457 20 0 GGADLN O=C([O-])[C@@H]([NH2+]CC(=O)Nc1ccc(F)cc1F)c1ccc(Br)cc1 ZINC000739305919 599790480 /nfs/dbraw/zinc/79/04/80/599790480.db2.gz ASLNXFAJPDOPEH-HNNXBMFYSA-N 0 2 399.191 3.081 20 0 GGADLN Cc1ccc(NC(=O)C[NH2+][C@H](C(=O)[O-])c2ccc(Br)cc2)c(C)c1 ZINC000738622191 599790524 /nfs/dbraw/zinc/79/05/24/599790524.db2.gz OHDHGPYWVWCEGH-KRWDZBQOSA-N 0 2 391.265 3.420 20 0 GGADLN Cc1ccc(C)c(NC(=O)C[NH2+][C@H](C(=O)[O-])c2ccc(Br)cc2)c1 ZINC000738573003 599790531 /nfs/dbraw/zinc/79/05/31/599790531.db2.gz CYAKPEBZORNVLQ-KRWDZBQOSA-N 0 2 391.265 3.420 20 0 GGADLN Cc1cccc(NC(=O)C[NH2+][C@@H](C(=O)[O-])c2ccc(Br)cc2)c1C ZINC000738734849 599790753 /nfs/dbraw/zinc/79/07/53/599790753.db2.gz QBPOVTOMTPGBHH-QGZVFWFLSA-N 0 2 391.265 3.420 20 0 GGADLN Cc1cc(C)cc(NC(=O)C[NH2+][C@H](C(=O)[O-])c2ccc(Br)cc2)c1 ZINC000738365322 599790768 /nfs/dbraw/zinc/79/07/68/599790768.db2.gz ZIMCDYRXEJQBTE-KRWDZBQOSA-N 0 2 391.265 3.420 20 0 GGADLN O=C([O-])[C@H]([NH2+]CC(=O)Nc1ccc(F)c(F)c1)c1ccc(Br)cc1 ZINC000739307350 599790955 /nfs/dbraw/zinc/79/09/55/599790955.db2.gz NIGBISKGVDBMQI-OAHLLOKOSA-N 0 2 399.191 3.081 20 0 GGADLN O=C([O-])[C@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1)c1ccc(Br)cc1 ZINC000739308698 599791161 /nfs/dbraw/zinc/79/11/61/599791161.db2.gz VASISZHPWCTTKX-OAHLLOKOSA-N 0 2 397.656 3.457 20 0 GGADLN CCN(Cc1ccccc1)C(=O)C[NH2+][C@H](C(=O)[O-])c1ccccc1C(F)(F)F ZINC000737104718 599791566 /nfs/dbraw/zinc/79/15/66/599791566.db2.gz XNFPEGRORLZQDE-SFHVURJKSA-N 0 2 394.393 3.469 20 0 GGADLN CCOc1ccc(NC(=O)C[NH2+][C@@H](C(=O)[O-])c2ccccc2C(F)(F)F)cc1 ZINC000737203571 599791626 /nfs/dbraw/zinc/79/16/26/599791626.db2.gz OWSLSPOADUBPJK-QGZVFWFLSA-N 0 2 396.365 3.458 20 0 GGADLN CC(C)C[C@@H](C)N(C)C(=O)C[NH2+][C@@H](C(=O)[O-])c1ccc(Br)cc1 ZINC000736404094 599791654 /nfs/dbraw/zinc/79/16/54/599791654.db2.gz QCYQKBGKOSAHHQ-MLGOLLRUSA-N 0 2 385.302 3.057 20 0 GGADLN O=C([O-])[C@H]([NH2+]CC(=O)NCCC1CCCCC1)c1ccc(Br)cc1 ZINC000739307224 599792202 /nfs/dbraw/zinc/79/22/02/599792202.db2.gz JZAQOOBXUXXWBQ-QGZVFWFLSA-N 0 2 397.313 3.251 20 0 GGADLN O=C([O-])[C@H]([NH2+]CC(=O)Nc1ccc(F)c(F)c1)c1ccccc1C(F)(F)F ZINC000739307328 599792232 /nfs/dbraw/zinc/79/22/32/599792232.db2.gz MOPIVYMKEIECGR-OAHLLOKOSA-N 0 2 388.292 3.338 20 0 GGADLN O=C([O-])[C@H]([NH2+]CC(=O)N1CCc2ccccc21)c1ccccc1C(F)(F)F ZINC000739508221 599792441 /nfs/dbraw/zinc/79/24/41/599792441.db2.gz MKXQFFHHHUAMLW-QGZVFWFLSA-N 0 2 378.350 3.010 20 0 GGADLN O=C([O-])[C@@H]([NH2+]CC(=O)N1CCc2ccccc21)c1ccccc1C(F)(F)F ZINC000739508220 599792661 /nfs/dbraw/zinc/79/26/61/599792661.db2.gz MKXQFFHHHUAMLW-KRWDZBQOSA-N 0 2 378.350 3.010 20 0 GGADLN C[C@H](c1cccc(NC(=O)NCc2ccc(C(=O)[O-])cc2)c1)[NH+]1CCOCC1 ZINC000736717310 599804650 /nfs/dbraw/zinc/80/46/50/599804650.db2.gz KWMYNUCUTKGYBB-OAHLLOKOSA-N 0 2 383.448 3.100 20 0 GGADLN C[C@@H](c1cccc(NC(=O)NCc2ccc(C(=O)[O-])cc2)c1)[NH+]1CCOCC1 ZINC000736717309 599804788 /nfs/dbraw/zinc/80/47/88/599804788.db2.gz KWMYNUCUTKGYBB-HNNXBMFYSA-N 0 2 383.448 3.100 20 0 GGADLN CC(C)C[C@H](NC(=O)C[N@@H+]1CCC[C@@H]1c1ccccc1C(F)(F)F)C(=O)[O-] ZINC000736411730 599818390 /nfs/dbraw/zinc/81/83/90/599818390.db2.gz IQWRLBXPVDTTKS-JKSUJKDBSA-N 0 2 386.414 3.458 20 0 GGADLN CC(C)C[C@H](NC(=O)C[N@H+]1CCC[C@@H]1c1ccccc1C(F)(F)F)C(=O)[O-] ZINC000736411730 599818391 /nfs/dbraw/zinc/81/83/91/599818391.db2.gz IQWRLBXPVDTTKS-JKSUJKDBSA-N 0 2 386.414 3.458 20 0 GGADLN CC[C@H](C)[C@H](NC(=O)C[N@@H+]1CCC[C@@H]1c1ccccc1C(F)(F)F)C(=O)[O-] ZINC000736877697 599818820 /nfs/dbraw/zinc/81/88/20/599818820.db2.gz KMQPVJDNHNIQTM-MJEQTWJJSA-N 0 2 386.414 3.458 20 0 GGADLN CC[C@H](C)[C@H](NC(=O)C[N@H+]1CCC[C@@H]1c1ccccc1C(F)(F)F)C(=O)[O-] ZINC000736877697 599818821 /nfs/dbraw/zinc/81/88/21/599818821.db2.gz KMQPVJDNHNIQTM-MJEQTWJJSA-N 0 2 386.414 3.458 20 0 GGADLN C[C@@H](c1cccc(NC(=O)N[C@H](CC(=O)[O-])c2ccccc2)c1)[NH+]1CCOCC1 ZINC000736717356 599822546 /nfs/dbraw/zinc/82/25/46/599822546.db2.gz MMFYXCJEXPHSQT-OXJNMPFZSA-N 0 2 397.475 3.417 20 0 GGADLN COc1cc(OC)cc(-c2nn(C[N@@H+]3CCCC[C@H]3CC(=O)[O-])c(=S)o2)c1 ZINC000737902484 599839731 /nfs/dbraw/zinc/83/97/31/599839731.db2.gz MRZJNAZPVMPYGM-ZDUSSCGKSA-N 0 2 393.465 3.176 20 0 GGADLN COc1cc(OC)cc(-c2nn(C[N@H+]3CCCC[C@H]3CC(=O)[O-])c(=S)o2)c1 ZINC000737902484 599839733 /nfs/dbraw/zinc/83/97/33/599839733.db2.gz MRZJNAZPVMPYGM-ZDUSSCGKSA-N 0 2 393.465 3.176 20 0 GGADLN Cc1ccc(OCc2nn(C[N@@H+]3CCCC[C@@H]3CC(=O)[O-])c(=S)o2)cc1 ZINC000738648690 599839785 /nfs/dbraw/zinc/83/97/85/599839785.db2.gz JEWLEPBZSYPVNN-CQSZACIVSA-N 0 2 377.466 3.380 20 0 GGADLN Cc1ccc(OCc2nn(C[N@H+]3CCCC[C@@H]3CC(=O)[O-])c(=S)o2)cc1 ZINC000738648690 599839787 /nfs/dbraw/zinc/83/97/87/599839787.db2.gz JEWLEPBZSYPVNN-CQSZACIVSA-N 0 2 377.466 3.380 20 0 GGADLN COc1ccc(OCc2nn(C[N@@H+]3CCCC[C@@H]3CC(=O)[O-])c(=S)o2)cc1 ZINC000738048938 599841257 /nfs/dbraw/zinc/84/12/57/599841257.db2.gz LAUNECDSRACTTH-CYBMUJFWSA-N 0 2 393.465 3.080 20 0 GGADLN COc1ccc(OCc2nn(C[N@H+]3CCCC[C@@H]3CC(=O)[O-])c(=S)o2)cc1 ZINC000738048938 599841258 /nfs/dbraw/zinc/84/12/58/599841258.db2.gz LAUNECDSRACTTH-CYBMUJFWSA-N 0 2 393.465 3.080 20 0 GGADLN CC(C)[C@@H](NC(=O)[O-])C(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000736369114 599843001 /nfs/dbraw/zinc/84/30/01/599843001.db2.gz QJGFMBOZDLJBTG-GDBMZVCRSA-N 0 2 385.867 3.024 20 0 GGADLN CSc1ccc([C@@H](CC(=O)[O-])NC(=O)Cc2cn3cccc(C)c3[nH+]2)cc1 ZINC000738200966 599845386 /nfs/dbraw/zinc/84/53/86/599845386.db2.gz LOQKFZVKCWSYPQ-QGZVFWFLSA-N 0 2 383.473 3.239 20 0 GGADLN O=C([O-])c1coc(CN2CC[NH+](Cc3ccc(OC(F)(F)F)cc3)CC2)c1 ZINC000740268988 599847549 /nfs/dbraw/zinc/84/75/49/599847549.db2.gz YKSQVTQZQFGZBV-UHFFFAOYSA-N 0 2 384.354 3.194 20 0 GGADLN COc1ccc([C@H]([NH2+]CC(=O)N[C@@H](c2cccs2)C(C)(C)C)C(=O)[O-])cc1 ZINC000737970034 599857947 /nfs/dbraw/zinc/85/79/47/599857947.db2.gz HUYJDBUVTUHNAS-ROUUACIJSA-N 0 2 390.505 3.376 20 0 GGADLN COc1ccc([C@H]([NH2+]CC(=O)N[C@H](c2cccs2)C(C)(C)C)C(=O)[O-])cc1 ZINC000737970035 599858091 /nfs/dbraw/zinc/85/80/91/599858091.db2.gz HUYJDBUVTUHNAS-ZWKOTPCHSA-N 0 2 390.505 3.376 20 0 GGADLN COc1ccc([C@H]([NH2+]CC(=O)N[C@H](c2ccc(F)cc2)C(C)C)C(=O)[O-])cc1 ZINC000737972954 599859664 /nfs/dbraw/zinc/85/96/64/599859664.db2.gz PIRJHVOZGDKHTP-PMACEKPBSA-N 0 2 388.439 3.063 20 0 GGADLN CCN(C(=O)C[NH2+][C@H](C(=O)[O-])c1ccc(OC)cc1)[C@@H](C)c1ccc(F)cc1 ZINC000737060589 599861010 /nfs/dbraw/zinc/86/10/10/599861010.db2.gz NMLRQWHBWCACTP-XOBRGWDASA-N 0 2 388.439 3.159 20 0 GGADLN CC[C@@H]1c2ccsc2CCN1C(=O)C[NH2+][C@H](C(=O)[O-])c1ccc(OC)cc1 ZINC000736950601 599861308 /nfs/dbraw/zinc/86/13/08/599861308.db2.gz PPFPJRJWFCZCFS-APWZRJJASA-N 0 2 388.489 3.008 20 0 GGADLN CC[C@H]1c2ccsc2CCN1C(=O)C[NH2+][C@H](C(=O)[O-])c1ccc(OC)cc1 ZINC000736950604 599861370 /nfs/dbraw/zinc/86/13/70/599861370.db2.gz PPFPJRJWFCZCFS-LPHOPBHVSA-N 0 2 388.489 3.008 20 0 GGADLN CC[C@@H]1c2ccsc2CCN1C(=O)C[NH2+][C@@H](C(=O)[O-])c1ccc(OC)cc1 ZINC000736950610 599861414 /nfs/dbraw/zinc/86/14/14/599861414.db2.gz PPFPJRJWFCZCFS-VQIMIIECSA-N 0 2 388.489 3.008 20 0 GGADLN COc1ccc([C@@H]([NH2+]CC(=O)Nc2cc(Cl)ccc2Cl)C(=O)[O-])cc1 ZINC000737969458 599861624 /nfs/dbraw/zinc/86/16/24/599861624.db2.gz GVLLVIMUTRIDOL-MRXNPFEDSA-N 0 2 383.231 3.356 20 0 GGADLN COc1ccc([C@@H]([NH2+]CC(=O)Nc2cccc(C(F)(F)F)c2)C(=O)[O-])cc1 ZINC000737971262 599861864 /nfs/dbraw/zinc/86/18/64/599861864.db2.gz JRNHMZOVXYGGRU-MRXNPFEDSA-N 0 2 382.338 3.068 20 0 GGADLN COc1ccc([C@@H]([NH2+]CC(=O)N(Cc2ccco2)c2ccccc2)C(=O)[O-])cc1 ZINC000737964881 599862318 /nfs/dbraw/zinc/86/23/18/599862318.db2.gz PANOFIIEMGCYSA-OAQYLSRUSA-N 0 2 394.427 3.237 20 0 GGADLN COc1ccc([C@H]([NH2+]CC(=O)Nc2ccc(Cl)cc2Cl)C(=O)[O-])cc1 ZINC000737972308 599862744 /nfs/dbraw/zinc/86/27/44/599862744.db2.gz NNYKRCKUULNVDM-INIZCTEOSA-N 0 2 383.231 3.356 20 0 GGADLN O=C([O-])c1ccc(F)cc1S(=O)(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000740144449 599865617 /nfs/dbraw/zinc/86/56/17/599865617.db2.gz ORYBLOBTVRWODA-UHFFFAOYSA-N 0 2 395.799 3.164 20 0 GGADLN Cc1cccn2cc(CC(=O)NCc3c4ccccc4sc3C(=O)[O-])[nH+]c12 ZINC000738786054 599870612 /nfs/dbraw/zinc/87/06/12/599870612.db2.gz QWWAVSRLOOKOOA-UHFFFAOYSA-N 0 2 379.441 3.415 20 0 GGADLN CCOc1cc(C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)ccc1OCC(=O)[O-] ZINC000737185425 599907630 /nfs/dbraw/zinc/90/76/30/599907630.db2.gz RICZOCMCIICDTM-UHFFFAOYSA-N 0 2 399.378 3.126 20 0 GGADLN O=C([O-])CC[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ccccc1 ZINC000181652272 599932827 /nfs/dbraw/zinc/93/28/27/599932827.db2.gz RCRNFXBIVIKZSF-MRXNPFEDSA-N 0 2 394.387 3.116 20 0 GGADLN CC(C)Cn1c(-c2ccco2)nn(C[N@H+](C[C@H](C)C(=O)[O-])C2CC2)c1=S ZINC000736455701 599933176 /nfs/dbraw/zinc/93/31/76/599933176.db2.gz RGKUXAZPRGBWJQ-ZDUSSCGKSA-N 0 2 378.498 3.473 20 0 GGADLN CC(C)Cn1c(-c2ccco2)nn(C[N@@H+](C[C@H](C)C(=O)[O-])C2CC2)c1=S ZINC000736455701 599933178 /nfs/dbraw/zinc/93/31/78/599933178.db2.gz RGKUXAZPRGBWJQ-ZDUSSCGKSA-N 0 2 378.498 3.473 20 0 GGADLN Cc1ccc(OCc2nn(C[N@@H+](C[C@@H](C)C(=O)[O-])C3CC3)c(=S)o2)cc1 ZINC000738648677 599934372 /nfs/dbraw/zinc/93/43/72/599934372.db2.gz HXABHBDQZRELMK-CYBMUJFWSA-N 0 2 377.466 3.236 20 0 GGADLN Cc1ccc(OCc2nn(C[N@H+](C[C@@H](C)C(=O)[O-])C3CC3)c(=S)o2)cc1 ZINC000738648677 599934375 /nfs/dbraw/zinc/93/43/75/599934375.db2.gz HXABHBDQZRELMK-CYBMUJFWSA-N 0 2 377.466 3.236 20 0 GGADLN CCCn1c(-c2ccncc2)nn(C[N@H+](C[C@@H](C)C(=O)[O-])C2CC2)c1=S ZINC000737051528 599935260 /nfs/dbraw/zinc/93/52/60/599935260.db2.gz VZZCWIHOLQNIEP-CYBMUJFWSA-N 0 2 375.498 3.029 20 0 GGADLN CCCn1c(-c2ccncc2)nn(C[N@@H+](C[C@@H](C)C(=O)[O-])C2CC2)c1=S ZINC000737051528 599935261 /nfs/dbraw/zinc/93/52/61/599935261.db2.gz VZZCWIHOLQNIEP-CYBMUJFWSA-N 0 2 375.498 3.029 20 0 GGADLN C[C@H](C[N@H+](Cn1nc(-c2ccccc2Cl)n(C)c1=S)C1CC1)C(=O)[O-] ZINC000736584346 599935284 /nfs/dbraw/zinc/93/52/84/599935284.db2.gz WGBSSYDLPLYTDJ-LLVKDONJSA-N 0 2 380.901 3.414 20 0 GGADLN C[C@H](C[N@@H+](Cn1nc(-c2ccccc2Cl)n(C)c1=S)C1CC1)C(=O)[O-] ZINC000736584346 599935286 /nfs/dbraw/zinc/93/52/86/599935286.db2.gz WGBSSYDLPLYTDJ-LLVKDONJSA-N 0 2 380.901 3.414 20 0 GGADLN COc1cc(OC)cc(-c2nn(C[N@H+](C[C@H](C)C(=O)[O-])C3CC3)c(=S)o2)c1 ZINC000737903474 599935912 /nfs/dbraw/zinc/93/59/12/599935912.db2.gz WLHWLCVWEMVCSW-NSHDSACASA-N 0 2 393.465 3.032 20 0 GGADLN COc1cc(OC)cc(-c2nn(C[N@@H+](C[C@H](C)C(=O)[O-])C3CC3)c(=S)o2)c1 ZINC000737903474 599935914 /nfs/dbraw/zinc/93/59/14/599935914.db2.gz WLHWLCVWEMVCSW-NSHDSACASA-N 0 2 393.465 3.032 20 0 GGADLN CC(C)[C@H](C(=O)Nc1cccc(CSCC(=O)[O-])c1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000736805181 599951226 /nfs/dbraw/zinc/95/12/26/599951226.db2.gz ASQNKIJLVHTJIZ-SPYBWZPUSA-N 0 2 394.537 3.077 20 0 GGADLN Cc1nn(C)c(Cl)c1[C@H]1CCC[N@H+]1[C@H](C)C(=O)c1[nH]c(C)c(C(=O)[O-])c1C ZINC000738916028 599974711 /nfs/dbraw/zinc/97/47/11/599974711.db2.gz RYXWOWKZWBXCSP-CHWSQXEVSA-N 0 2 392.887 3.433 20 0 GGADLN Cc1nn(C)c(Cl)c1[C@H]1CCC[N@@H+]1[C@H](C)C(=O)c1[nH]c(C)c(C(=O)[O-])c1C ZINC000738916028 599974713 /nfs/dbraw/zinc/97/47/13/599974713.db2.gz RYXWOWKZWBXCSP-CHWSQXEVSA-N 0 2 392.887 3.433 20 0 GGADLN Cc1nn(C)c(Cl)c1[C@@H]1CCC[N@H+]1[C@H](C)C(=O)c1[nH]c(C)c(C(=O)[O-])c1C ZINC000738916029 599974799 /nfs/dbraw/zinc/97/47/99/599974799.db2.gz RYXWOWKZWBXCSP-OLZOCXBDSA-N 0 2 392.887 3.433 20 0 GGADLN Cc1nn(C)c(Cl)c1[C@@H]1CCC[N@@H+]1[C@H](C)C(=O)c1[nH]c(C)c(C(=O)[O-])c1C ZINC000738916029 599974801 /nfs/dbraw/zinc/97/48/01/599974801.db2.gz RYXWOWKZWBXCSP-OLZOCXBDSA-N 0 2 392.887 3.433 20 0 GGADLN CC[C@H](C)[C@@H](NC(=O)C[N@@H+]1CCC[C@H]1c1nc2ccccc2s1)C(=O)[O-] ZINC000736873967 599987570 /nfs/dbraw/zinc/98/75/70/599987570.db2.gz CYVWEMQKWQJYNX-RVSPLBMKSA-N 0 2 375.494 3.049 20 0 GGADLN CC[C@H](C)[C@@H](NC(=O)C[N@H+]1CCC[C@H]1c1nc2ccccc2s1)C(=O)[O-] ZINC000736873967 599987572 /nfs/dbraw/zinc/98/75/72/599987572.db2.gz CYVWEMQKWQJYNX-RVSPLBMKSA-N 0 2 375.494 3.049 20 0 GGADLN O=C([O-])c1ccc2c(c1)CN(C(=O)Nc1nc(C[NH+]3CCCCC3)cs1)C2 ZINC000740199523 600010658 /nfs/dbraw/zinc/01/06/58/600010658.db2.gz OCBCCWIBMMRWJV-UHFFFAOYSA-N 0 2 386.477 3.375 20 0 GGADLN Cc1cn(C[N@@H+](C)Cc2ccc(C(=O)[O-])cc2)c(=O)n1-c1ccccc1Cl ZINC000738798911 600027063 /nfs/dbraw/zinc/02/70/63/600027063.db2.gz TWYFFSHKDYKKOA-UHFFFAOYSA-N 0 2 385.851 3.389 20 0 GGADLN Cc1cn(C[N@H+](C)Cc2ccc(C(=O)[O-])cc2)c(=O)n1-c1ccccc1Cl ZINC000738798911 600027067 /nfs/dbraw/zinc/02/70/67/600027067.db2.gz TWYFFSHKDYKKOA-UHFFFAOYSA-N 0 2 385.851 3.389 20 0 GGADLN COc1ccc([C@H]2CCC[N@@H+]2CC(=O)c2[nH]c(C)c(C(=O)[O-])c2C)c(OC)c1 ZINC000737987672 600049512 /nfs/dbraw/zinc/04/95/12/600049512.db2.gz XSBALPRFEZWMAC-MRXNPFEDSA-N 0 2 386.448 3.367 20 0 GGADLN COc1ccc([C@H]2CCC[N@H+]2CC(=O)c2[nH]c(C)c(C(=O)[O-])c2C)c(OC)c1 ZINC000737987672 600049516 /nfs/dbraw/zinc/04/95/16/600049516.db2.gz XSBALPRFEZWMAC-MRXNPFEDSA-N 0 2 386.448 3.367 20 0 GGADLN COc1ccc(OC)c([C@H]2CCC[N@@H+]2CC(=O)Nc2ccccc2C(=O)[O-])c1 ZINC000738049371 600049964 /nfs/dbraw/zinc/04/99/64/600049964.db2.gz QDIWFQBVYLUBIO-GOSISDBHSA-N 0 2 384.432 3.178 20 0 GGADLN COc1ccc(OC)c([C@H]2CCC[N@H+]2CC(=O)Nc2ccccc2C(=O)[O-])c1 ZINC000738049371 600049966 /nfs/dbraw/zinc/04/99/66/600049966.db2.gz QDIWFQBVYLUBIO-GOSISDBHSA-N 0 2 384.432 3.178 20 0 GGADLN Cn1cccc1[C@@H]1CCC[N@@H+]1CC(=O)Nc1sc2c(c1C(=O)[O-])CCCC2 ZINC000739042364 600066964 /nfs/dbraw/zinc/06/69/64/600066964.db2.gz GPCSRJRDZGGLAI-HNNXBMFYSA-N 0 2 387.505 3.439 20 0 GGADLN Cn1cccc1[C@@H]1CCC[N@H+]1CC(=O)Nc1sc2c(c1C(=O)[O-])CCCC2 ZINC000739042364 600066967 /nfs/dbraw/zinc/06/69/67/600066967.db2.gz GPCSRJRDZGGLAI-HNNXBMFYSA-N 0 2 387.505 3.439 20 0 GGADLN CC(C)C[C@H](C)N(C)C(=O)C[NH2+][C@@](C)(C(=O)[O-])c1cccc(Br)c1 ZINC000736404304 600076842 /nfs/dbraw/zinc/07/68/42/600076842.db2.gz ZSVZOCMWQALYIM-SCLBCKFNSA-N 0 2 399.329 3.232 20 0 GGADLN CC1CCC(NC(=O)C[NH2+][C@](C)(C(=O)[O-])c2cccc(Br)c2)CC1 ZINC000736767234 600080022 /nfs/dbraw/zinc/08/00/22/600080022.db2.gz AOZIODZZHPHHJQ-WOOZHMMNSA-N 0 2 397.313 3.033 20 0 GGADLN CC[C@@H]1CCCCN1C(=O)C[NH2+][C@](C)(C(=O)[O-])c1cccc(Br)c1 ZINC000736942239 600080894 /nfs/dbraw/zinc/08/08/94/600080894.db2.gz SEWHGJRHIHQKDW-QAPCUYQASA-N 0 2 397.313 3.130 20 0 GGADLN O=C([O-])c1cc(F)ccc1C[NH+]1CCN(C(=O)Cc2ccc(Cl)cc2)CC1 ZINC000740079792 600086625 /nfs/dbraw/zinc/08/66/25/600086625.db2.gz URDGWBCFHUTAAP-UHFFFAOYSA-N 0 2 390.842 3.064 20 0 GGADLN CN(c1ccccc1)C1CC[NH+](Cc2nc3cc(C(=O)[O-])ccc3c(=O)[nH]2)CC1 ZINC000737506491 600090324 /nfs/dbraw/zinc/09/03/24/600090324.db2.gz SNVHSYAJJYHEIG-UHFFFAOYSA-N 0 2 392.459 3.134 20 0 GGADLN Cc1[nH]c(C(=O)C[NH+]2CCC(N3c4ccccc4C[C@H]3C)CC2)c(C)c1C(=O)[O-] ZINC000738233445 600091405 /nfs/dbraw/zinc/09/14/05/600091405.db2.gz NTKHRILMNIXFSZ-CQSZACIVSA-N 0 2 395.503 3.428 20 0 GGADLN Cc1[nH]c(C(=O)[C@H](C)[N@@H+]2CCC[C@@H](c3noc(C(C)C)n3)C2)c(C)c1C(=O)[O-] ZINC000738235312 600092323 /nfs/dbraw/zinc/09/23/23/600092323.db2.gz HXYJDOCKVFBKJE-UONOGXRCSA-N 0 2 388.468 3.287 20 0 GGADLN Cc1[nH]c(C(=O)[C@H](C)[N@H+]2CCC[C@@H](c3noc(C(C)C)n3)C2)c(C)c1C(=O)[O-] ZINC000738235312 600092325 /nfs/dbraw/zinc/09/23/25/600092325.db2.gz HXYJDOCKVFBKJE-UONOGXRCSA-N 0 2 388.468 3.287 20 0 GGADLN Cc1nc(C2CC[NH+](CC(=O)c3[nH]c(C)c(C(=O)[O-])c3C)CC2)sc1C ZINC000738349217 600093090 /nfs/dbraw/zinc/09/30/90/600093090.db2.gz GUNGMFIYUHVCNL-UHFFFAOYSA-N 0 2 375.494 3.465 20 0 GGADLN Cc1[nH]c(C(=O)[C@H](C)N2CC[C@H](CNc3cccc(C)[nH+]3)C2)c(C)c1C(=O)[O-] ZINC000738736417 600094637 /nfs/dbraw/zinc/09/46/37/600094637.db2.gz LHVPQSSFOHGXFP-JKSUJKDBSA-N 0 2 384.480 3.038 20 0 GGADLN Cc1[nH]c(C(=O)[C@H](C)N2CC[C@H](CNc3cc(C)cc[nH+]3)C2)c(C)c1C(=O)[O-] ZINC000738798950 600096640 /nfs/dbraw/zinc/09/66/40/600096640.db2.gz VWYJCQWGEYAVGE-JKSUJKDBSA-N 0 2 384.480 3.038 20 0 GGADLN Cc1ccc2[nH+]c(CSCC(=O)N3Cc4ccc(C(=O)[O-])cc4C3)cn2c1 ZINC000738677474 600104823 /nfs/dbraw/zinc/10/48/23/600104823.db2.gz OJRXPMJSMAHWPP-UHFFFAOYSA-N 0 2 381.457 3.117 20 0 GGADLN COc1cccc([C@@H](C)[NH+]2CCN(C(=O)Nc3ccccc3C(=O)[O-])CC2)c1 ZINC000738090069 600107893 /nfs/dbraw/zinc/10/78/93/600107893.db2.gz GLQXXFIXYYPVNP-OAHLLOKOSA-N 0 2 383.448 3.304 20 0 GGADLN C[C@H](c1cccc(NC(=O)N2Cc3ccc(C(=O)[O-])cc3C2)c1)[NH+]1CCOCC1 ZINC000736717754 600115864 /nfs/dbraw/zinc/11/58/64/600115864.db2.gz OXGRPSMDBOOMPS-OAHLLOKOSA-N 0 2 395.459 3.326 20 0 GGADLN COc1cccc([C@H](C)[NH+]2CCN(C(=O)Nc3ccc(C(=O)[O-])cc3)CC2)c1 ZINC000738092176 600120322 /nfs/dbraw/zinc/12/03/22/600120322.db2.gz OLWIVBHUOSZCDP-HNNXBMFYSA-N 0 2 383.448 3.304 20 0 GGADLN CC(=O)N(c1nc(C[N@@H+]2CCC[C@@H](C(=O)[O-])C2)cs1)c1ccc(F)cc1 ZINC000736129788 600128309 /nfs/dbraw/zinc/12/83/09/600128309.db2.gz FPQLLFKWXQJCPD-CYBMUJFWSA-N 0 2 377.441 3.263 20 0 GGADLN CC(=O)N(c1nc(C[N@H+]2CCC[C@@H](C(=O)[O-])C2)cs1)c1ccc(F)cc1 ZINC000736129788 600128310 /nfs/dbraw/zinc/12/83/10/600128310.db2.gz FPQLLFKWXQJCPD-CYBMUJFWSA-N 0 2 377.441 3.263 20 0 GGADLN O=C([O-])c1c2c(sc1NC(=O)C[N@@H+]1CCCc3sccc3C1)CCC2 ZINC000739290100 600138547 /nfs/dbraw/zinc/13/85/47/600138547.db2.gz QQJAKKPGMYUVAS-UHFFFAOYSA-N 0 2 376.503 3.383 20 0 GGADLN O=C([O-])c1c2c(sc1NC(=O)C[N@H+]1CCCc3sccc3C1)CCC2 ZINC000739290100 600138548 /nfs/dbraw/zinc/13/85/48/600138548.db2.gz QQJAKKPGMYUVAS-UHFFFAOYSA-N 0 2 376.503 3.383 20 0 GGADLN Cc1[nH]c(C(=O)C[N@@H+]2CCC[C@@H]2c2cccc3c2OCCO3)c(C)c1C(=O)[O-] ZINC000738152496 600144720 /nfs/dbraw/zinc/14/47/20/600144720.db2.gz CHLSIYPNSSEHPN-OAHLLOKOSA-N 0 2 384.432 3.121 20 0 GGADLN Cc1[nH]c(C(=O)C[N@H+]2CCC[C@@H]2c2cccc3c2OCCO3)c(C)c1C(=O)[O-] ZINC000738152496 600144723 /nfs/dbraw/zinc/14/47/23/600144723.db2.gz CHLSIYPNSSEHPN-OAHLLOKOSA-N 0 2 384.432 3.121 20 0 GGADLN Cc1[nH]c(C(=O)C[N@@H+]2CCC[C@H]2c2cccc3c2OCCO3)c(C)c1C(=O)[O-] ZINC000738152495 600144840 /nfs/dbraw/zinc/14/48/40/600144840.db2.gz CHLSIYPNSSEHPN-HNNXBMFYSA-N 0 2 384.432 3.121 20 0 GGADLN Cc1[nH]c(C(=O)C[N@H+]2CCC[C@H]2c2cccc3c2OCCO3)c(C)c1C(=O)[O-] ZINC000738152495 600144842 /nfs/dbraw/zinc/14/48/42/600144842.db2.gz CHLSIYPNSSEHPN-HNNXBMFYSA-N 0 2 384.432 3.121 20 0 GGADLN CC(C)OC1CC[NH+](CC(=O)Nc2sc3c(c2C(=O)[O-])CC[C@H](C)C3)CC1 ZINC000736803241 600168329 /nfs/dbraw/zinc/16/83/29/600168329.db2.gz UWEWHWSHUBUYDY-ZDUSSCGKSA-N 0 2 394.537 3.399 20 0 GGADLN COC(=O)c1cc(NC(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)cc(C(=O)[O-])c1 ZINC000737661062 600173893 /nfs/dbraw/zinc/17/38/93/600173893.db2.gz PTIAPXGCCINNHQ-MRXNPFEDSA-N 0 2 390.823 3.066 20 0 GGADLN O=C([O-])c1ccc2[nH]c3c(c2c1)CN(c1cc(N2CCCCC2)[nH+]cn1)CC3 ZINC000516869323 600179829 /nfs/dbraw/zinc/17/98/29/600179829.db2.gz FVHCNPOIPLMDSG-UHFFFAOYSA-N 0 2 377.448 3.209 20 0 GGADLN O=C([O-])c1ccc2[nH]c3c(c2c1)CN(c1cc(N2CCCCC2)nc[nH+]1)CC3 ZINC000516869323 600179833 /nfs/dbraw/zinc/17/98/33/600179833.db2.gz FVHCNPOIPLMDSG-UHFFFAOYSA-N 0 2 377.448 3.209 20 0 GGADLN Cc1ccc2[nH+]c(CSCC(=O)N(C)[C@@H](C(=O)[O-])c3ccccc3)cn2c1 ZINC000738677163 600196191 /nfs/dbraw/zinc/19/61/91/600196191.db2.gz NRNHJXYJERJOCP-LJQANCHMSA-N 0 2 383.473 3.160 20 0 GGADLN O=C([O-])c1ccc(NC(=O)c2cccc(Cn3cc[nH+]c3)c2)c(OC(F)F)c1 ZINC000740157200 600212533 /nfs/dbraw/zinc/21/25/33/600212533.db2.gz UQLHDDBUAKTBFN-UHFFFAOYSA-N 0 2 387.342 3.483 20 0 GGADLN CCc1ccc(O[C@H](C)C(=O)N2CC[NH+](Cc3cccc(C(=O)[O-])c3)CC2)cc1 ZINC000263498419 600261409 /nfs/dbraw/zinc/26/14/09/600261409.db2.gz UNSQKRKYJZNCAP-QGZVFWFLSA-N 0 2 396.487 3.059 20 0 GGADLN CCc1ccccc1O[C@H](C)C(=O)N1CC[NH+](Cc2ccc(C(=O)[O-])cc2)CC1 ZINC000263580185 600262146 /nfs/dbraw/zinc/26/21/46/600262146.db2.gz VQHWQVGQPWDURU-QGZVFWFLSA-N 0 2 396.487 3.059 20 0 GGADLN CC(C)C[C@@H](NC(=O)[O-])C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000736424101 600271369 /nfs/dbraw/zinc/27/13/69/600271369.db2.gz XIGQNOTUAMIHIF-NVXWUHKLSA-N 0 2 399.894 3.242 20 0 GGADLN CC(C)C[C@@H](NC(=O)[O-])C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000736424101 600271370 /nfs/dbraw/zinc/27/13/70/600271370.db2.gz XIGQNOTUAMIHIF-NVXWUHKLSA-N 0 2 399.894 3.242 20 0 GGADLN CC(C)(C)[C@@H]1CCc2c(sc(=O)n2C[NH+]2CCC3(C[C@@H]3C(=O)[O-])CC2)C1 ZINC000736253657 600279301 /nfs/dbraw/zinc/27/93/01/600279301.db2.gz ZRXCIVIMFNTGHX-ZIAGYGMSSA-N 0 2 378.538 3.205 20 0 GGADLN C[C@H](c1cccnc1)[NH+]1CCN(C(=O)Nc2cc(Cl)cc(C(=O)[O-])c2)CC1 ZINC000736723605 600280777 /nfs/dbraw/zinc/28/07/77/600280777.db2.gz DGJWAGHOJVZFQE-CYBMUJFWSA-N 0 2 388.855 3.344 20 0 GGADLN O=C([O-])[C@H]1CC12CC[NH+](Cc1nc3cc(C(F)(F)F)ccc3c(=O)[nH]1)CC2 ZINC000739536587 600294989 /nfs/dbraw/zinc/29/49/89/600294989.db2.gz NNWYIOLGAYDOKG-GFCCVEGCSA-N 0 2 381.354 3.041 20 0 GGADLN Cc1cccc(Cc2cnc(NC(=O)C[NH+]3CCC4(C[C@@H]4C(=O)[O-])CC3)s2)c1 ZINC000738721889 600301341 /nfs/dbraw/zinc/30/13/41/600301341.db2.gz PBUZRPXNKQLMDB-QGZVFWFLSA-N 0 2 399.516 3.168 20 0 GGADLN C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N3CCC4(C[C@@H]4C(=O)[O-])CC3)n2)C1 ZINC000736793117 600317712 /nfs/dbraw/zinc/31/77/12/600317712.db2.gz JTAAOKXSQFZHKV-DZGCQCFKSA-N 0 2 392.525 3.094 20 0 GGADLN C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CCC4(C[C@@H]4C(=O)[O-])CC3)n2)C1 ZINC000736793117 600317713 /nfs/dbraw/zinc/31/77/13/600317713.db2.gz JTAAOKXSQFZHKV-DZGCQCFKSA-N 0 2 392.525 3.094 20 0 GGADLN 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ZINC000829648257 600820400 /nfs/dbraw/zinc/82/04/00/600820400.db2.gz IGOZLKPIRMTALA-QGZVFWFLSA-N 0 2 387.505 3.341 20 0 GGADLN CCN(CC)C(=O)[C@H]1CCC[N@H+]1Cc1csc(-c2cccc(C(=O)[O-])c2)n1 ZINC000829648257 600820403 /nfs/dbraw/zinc/82/04/03/600820403.db2.gz IGOZLKPIRMTALA-QGZVFWFLSA-N 0 2 387.505 3.341 20 0 GGADLN CC(C)C(=O)N[C@H]1CCC[N@H+](Cc2csc(-c3cccc(C(=O)[O-])c3)n2)C1 ZINC000826651388 600821137 /nfs/dbraw/zinc/82/11/37/600821137.db2.gz ALVLKOUFQQHHAM-INIZCTEOSA-N 0 2 387.505 3.245 20 0 GGADLN CC(C)C(=O)N[C@H]1CCC[N@@H+](Cc2csc(-c3cccc(C(=O)[O-])c3)n2)C1 ZINC000826651388 600821140 /nfs/dbraw/zinc/82/11/40/600821140.db2.gz ALVLKOUFQQHHAM-INIZCTEOSA-N 0 2 387.505 3.245 20 0 GGADLN CC(C)C(=O)N[C@@H]1CCC[N@H+](Cc2csc(-c3cccc(C(=O)[O-])c3)n2)C1 ZINC000826651389 600821345 /nfs/dbraw/zinc/82/13/45/600821345.db2.gz ALVLKOUFQQHHAM-MRXNPFEDSA-N 0 2 387.505 3.245 20 0 GGADLN CC(C)C(=O)N[C@@H]1CCC[N@@H+](Cc2csc(-c3cccc(C(=O)[O-])c3)n2)C1 ZINC000826651389 600821347 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ZVIMSPOUNIVXBT-OAHLLOKOSA-N 0 2 388.427 3.403 20 0 GGADLN CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1[nH]c(C)c(C(=O)[O-])c1C ZINC000829692759 600954853 /nfs/dbraw/zinc/95/48/53/600954853.db2.gz OPTPAUHYEPDWCH-UHFFFAOYSA-N 0 2 384.480 3.103 20 0 GGADLN CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)CCc1ccc(C(=O)[O-])cc1 ZINC000829692253 600955223 /nfs/dbraw/zinc/95/52/23/600955223.db2.gz DLEQZYVXDCFBCR-UHFFFAOYSA-N 0 2 395.503 3.478 20 0 GGADLN Cc1[nH]c(C(=O)C[NH+]2CCC(O)(c3cccc(C)c3C)CC2)c(C)c1C(=O)[O-] ZINC000738309439 600974399 /nfs/dbraw/zinc/97/43/99/600974399.db2.gz YQMMRTJFSMJDME-UHFFFAOYSA-N 0 2 384.476 3.113 20 0 GGADLN O=C([O-])[C@H](c1ccc(Cl)cc1Cl)N1CC[NH+](Cc2ccccn2)CC1 ZINC000833172030 600984486 /nfs/dbraw/zinc/98/44/86/600984486.db2.gz QMOCLTNHDCNDDI-KRWDZBQOSA-N 0 2 380.275 3.332 20 0 GGADLN Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)C[NH2+][C@@H](C(=O)[O-])c1ccccc1 ZINC000832908758 600997240 /nfs/dbraw/zinc/99/72/40/600997240.db2.gz BJJIKYKHPVEWCY-OAQYLSRUSA-N 0 2 392.459 3.152 20 0 GGADLN O=C(C[NH2+][C@@H](C(=O)[O-])c1ccccc1)Nc1ccc2c(c1)OC1(CCCC1)O2 ZINC000833110485 600998167 /nfs/dbraw/zinc/99/81/67/600998167.db2.gz RXXSMDDOLPQQHS-LJQANCHMSA-N 0 2 382.416 3.082 20 0 GGADLN O=C([O-])C[C@H]1CSCC[N@@H+]1CC(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000833220918 601014180 /nfs/dbraw/zinc/01/41/80/601014180.db2.gz CVWXVPRNNFMUSC-JTQLQIEISA-N 0 2 396.818 3.189 20 0 GGADLN O=C([O-])C[C@H]1CSCC[N@H+]1CC(=O)Nc1ccc(Cl)cc1C(F)(F)F ZINC000833220918 601014182 /nfs/dbraw/zinc/01/41/82/601014182.db2.gz CVWXVPRNNFMUSC-JTQLQIEISA-N 0 2 396.818 3.189 20 0 GGADLN C[C@H](NC(=O)Nc1cccc(OCC(=O)[O-])c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000827682244 601017908 /nfs/dbraw/zinc/01/79/08/601017908.db2.gz UZEBRLXHJVLXBW-AWEZNQCLSA-N 0 2 380.404 3.218 20 0 GGADLN COc1ccc(OCc2nc(C[N@@H+]3CCSC[C@H]3CC(=O)[O-])cs2)cc1 ZINC000832444589 601022212 /nfs/dbraw/zinc/02/22/12/601022212.db2.gz QVMDSSVKCSGNDW-CQSZACIVSA-N 0 2 394.518 3.123 20 0 GGADLN COc1ccc(OCc2nc(C[N@H+]3CCSC[C@H]3CC(=O)[O-])cs2)cc1 ZINC000832444589 601022215 /nfs/dbraw/zinc/02/22/15/601022215.db2.gz QVMDSSVKCSGNDW-CQSZACIVSA-N 0 2 394.518 3.123 20 0 GGADLN O=C([O-])C[C@H]1CSCC[N@@H+]1CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000833220922 601024893 /nfs/dbraw/zinc/02/48/93/601024893.db2.gz DEUHSENDFFZYJF-JTQLQIEISA-N 0 2 396.818 3.189 20 0 GGADLN O=C([O-])C[C@H]1CSCC[N@H+]1CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000833220922 601024896 /nfs/dbraw/zinc/02/48/96/601024896.db2.gz DEUHSENDFFZYJF-JTQLQIEISA-N 0 2 396.818 3.189 20 0 GGADLN O=C([O-])C[C@@H]1CSCC[N@@H+]1CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000833220923 601024935 /nfs/dbraw/zinc/02/49/35/601024935.db2.gz DEUHSENDFFZYJF-SNVBAGLBSA-N 0 2 396.818 3.189 20 0 GGADLN O=C([O-])C[C@@H]1CSCC[N@H+]1CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1 ZINC000833220923 601024939 /nfs/dbraw/zinc/02/49/39/601024939.db2.gz DEUHSENDFFZYJF-SNVBAGLBSA-N 0 2 396.818 3.189 20 0 GGADLN O=C([O-])C[C@@H]1CSCC[N@@H+]1CC(=O)Nc1cccc(Oc2ccccc2)c1 ZINC000833221618 601026537 /nfs/dbraw/zinc/02/65/37/601026537.db2.gz LWECYCZAWCTTAZ-MRXNPFEDSA-N 0 2 386.473 3.310 20 0 GGADLN O=C([O-])C[C@@H]1CSCC[N@H+]1CC(=O)Nc1cccc(Oc2ccccc2)c1 ZINC000833221618 601026540 /nfs/dbraw/zinc/02/65/40/601026540.db2.gz LWECYCZAWCTTAZ-MRXNPFEDSA-N 0 2 386.473 3.310 20 0 GGADLN CC(C)c1cnc(C[N@H+](C)[C@@H]2CCN([C@@H](C(=O)[O-])c3ccccc3F)C2)o1 ZINC000827138989 601027661 /nfs/dbraw/zinc/02/76/61/601027661.db2.gz ANENSMKWSQWIKE-AUUYWEPGSA-N 0 2 375.444 3.269 20 0 GGADLN CC(C)c1cnc(C[N@@H+](C)[C@@H]2CCN([C@@H](C(=O)[O-])c3ccccc3F)C2)o1 ZINC000827138989 601027665 /nfs/dbraw/zinc/02/76/65/601027665.db2.gz ANENSMKWSQWIKE-AUUYWEPGSA-N 0 2 375.444 3.269 20 0 GGADLN CC(C)c1cnc(C[N@H+](C)[C@@H]2CCN([C@H](C(=O)[O-])c3ccccc3F)C2)o1 ZINC000827138991 601028264 /nfs/dbraw/zinc/02/82/64/601028264.db2.gz ANENSMKWSQWIKE-KUHUBIRLSA-N 0 2 375.444 3.269 20 0 GGADLN CC(C)c1cnc(C[N@@H+](C)[C@@H]2CCN([C@H](C(=O)[O-])c3ccccc3F)C2)o1 ZINC000827138991 601028268 /nfs/dbraw/zinc/02/82/68/601028268.db2.gz ANENSMKWSQWIKE-KUHUBIRLSA-N 0 2 375.444 3.269 20 0 GGADLN CC[C@@](C)([NH2+]Cc1nc(=O)c2c(C)c(C(=O)[O-])sc2[nH]1)c1nc(C)cs1 ZINC000828692982 601042869 /nfs/dbraw/zinc/04/28/69/601042869.db2.gz OZXONEUFLWLUFL-QGZVFWFLSA-N 0 2 392.506 3.171 20 0 GGADLN C[C@@H](c1cccc(NC(=O)NC[C@H](C(=O)[O-])c2ccccc2)c1)[NH+]1CCOCC1 ZINC000827940134 601046155 /nfs/dbraw/zinc/04/61/55/601046155.db2.gz DIFIOJZAPFPLAJ-JXFKEZNVSA-N 0 2 397.475 3.070 20 0 GGADLN O=C([O-])[C@H]1C[C@H](C2CCCCC2)CN1C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000833179982 601079931 /nfs/dbraw/zinc/07/99/31/601079931.db2.gz RHSBWYSEJDSLJW-VQTJNVASSA-N 0 2 381.476 3.427 20 0 GGADLN C[C@@H](C[N@@H+](Cc1ccccc1)Cn1nc(-c2cccnc2)n(C)c1=S)C(=O)[O-] ZINC000736581514 601088946 /nfs/dbraw/zinc/08/89/46/601088946.db2.gz IEICPSMJIVYKFH-HNNXBMFYSA-N 0 2 397.504 3.193 20 0 GGADLN C[C@@H](C[N@H+](Cc1ccccc1)Cn1nc(-c2cccnc2)n(C)c1=S)C(=O)[O-] ZINC000736581514 601088950 /nfs/dbraw/zinc/08/89/50/601088950.db2.gz IEICPSMJIVYKFH-HNNXBMFYSA-N 0 2 397.504 3.193 20 0 GGADLN C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)Nc2ccc(C(C)(C)C(=O)[O-])cc2)CC1 ZINC000827958471 601094632 /nfs/dbraw/zinc/09/46/32/601094632.db2.gz VRIZPATUDVXOIO-INIZCTEOSA-N 0 2 396.491 3.355 20 0 GGADLN COC(=O)c1cc(NC(=O)[C@H](C)[N@@H+]2Cc3ccccc3[C@H]2C)cc(C(=O)[O-])c1 ZINC000831257800 601117563 /nfs/dbraw/zinc/11/75/63/601117563.db2.gz LHWTWRNWSFVYSY-OLZOCXBDSA-N 0 2 382.416 3.075 20 0 GGADLN COC(=O)c1cc(NC(=O)[C@H](C)[N@H+]2Cc3ccccc3[C@H]2C)cc(C(=O)[O-])c1 ZINC000831257800 601117565 /nfs/dbraw/zinc/11/75/65/601117565.db2.gz LHWTWRNWSFVYSY-OLZOCXBDSA-N 0 2 382.416 3.075 20 0 GGADLN O=C([O-])[C@@H]1CCC[C@H](C(=O)N2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)C1 ZINC000739568914 601126357 /nfs/dbraw/zinc/12/63/57/601126357.db2.gz RDFCSERSFMYCGD-JKSUJKDBSA-N 0 2 398.425 3.241 20 0 GGADLN Cc1cccn2cc(CCNC(=O)Nc3ccc(CN(C)C(=O)[O-])cc3)[nH+]c12 ZINC000832982292 601134413 /nfs/dbraw/zinc/13/44/13/601134413.db2.gz YDLUOEPEHXZVSZ-UHFFFAOYSA-N 0 2 381.436 3.117 20 0 GGADLN O=C([O-])CCCc1nc(C[N@H+]2CCCCC[C@@H]2C[C@H](O)c2cccs2)no1 ZINC000833230081 601156891 /nfs/dbraw/zinc/15/68/91/601156891.db2.gz WQSSUHOFZZPLNG-CABCVRRESA-N 0 2 393.509 3.407 20 0 GGADLN O=C([O-])CCCc1nc(C[N@@H+]2CCCCC[C@@H]2C[C@H](O)c2cccs2)no1 ZINC000833230081 601156893 /nfs/dbraw/zinc/15/68/93/601156893.db2.gz WQSSUHOFZZPLNG-CABCVRRESA-N 0 2 393.509 3.407 20 0 GGADLN O=C([O-])CCCc1nc(C[N@H+]2CCCCC[C@@H]2C[C@@H](O)c2cccs2)no1 ZINC000833230083 601156965 /nfs/dbraw/zinc/15/69/65/601156965.db2.gz WQSSUHOFZZPLNG-HUUCEWRRSA-N 0 2 393.509 3.407 20 0 GGADLN O=C([O-])CCCc1nc(C[N@@H+]2CCCCC[C@@H]2C[C@@H](O)c2cccs2)no1 ZINC000833230083 601156967 /nfs/dbraw/zinc/15/69/67/601156967.db2.gz WQSSUHOFZZPLNG-HUUCEWRRSA-N 0 2 393.509 3.407 20 0 GGADLN O=C([O-])CCCc1nc(C[N@H+]2CCCCC[C@H]2C[C@H](O)c2cccs2)no1 ZINC000833230082 601157239 /nfs/dbraw/zinc/15/72/39/601157239.db2.gz WQSSUHOFZZPLNG-GJZGRUSLSA-N 0 2 393.509 3.407 20 0 GGADLN O=C([O-])CCCc1nc(C[N@@H+]2CCCCC[C@H]2C[C@H](O)c2cccs2)no1 ZINC000833230082 601157241 /nfs/dbraw/zinc/15/72/41/601157241.db2.gz WQSSUHOFZZPLNG-GJZGRUSLSA-N 0 2 393.509 3.407 20 0 GGADLN CN1C(=O)N[C@@H](c2ccccc2)C(C(=O)[O-])=C1C[N@@H+]1CC[C@H]1c1cccc(F)c1 ZINC000830908688 601183031 /nfs/dbraw/zinc/18/30/31/601183031.db2.gz ZVHDTISEAHHOLA-PXNSSMCTSA-N 0 2 395.434 3.308 20 0 GGADLN CN1C(=O)N[C@@H](c2ccccc2)C(C(=O)[O-])=C1C[N@H+]1CC[C@H]1c1cccc(F)c1 ZINC000830908688 601183033 /nfs/dbraw/zinc/18/30/33/601183033.db2.gz ZVHDTISEAHHOLA-PXNSSMCTSA-N 0 2 395.434 3.308 20 0 GGADLN Cc1ccc(C(=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@@H]1CC(=O)c1cccs1 ZINC000832914728 601202265 /nfs/dbraw/zinc/20/22/65/601202265.db2.gz FCZHSQZQVOOUCD-OAHLLOKOSA-N 0 2 386.473 3.431 20 0 GGADLN Cc1ccc(C(=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@@H]1CC(=O)c1cccs1 ZINC000832914728 601202267 /nfs/dbraw/zinc/20/22/67/601202267.db2.gz FCZHSQZQVOOUCD-OAHLLOKOSA-N 0 2 386.473 3.431 20 0 GGADLN O=C([O-])c1cc(C(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)ccn1 ZINC000833134607 601244119 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/nfs/dbraw/zinc/82/02/89/601820289.db2.gz NHHLCXXVJGWWQW-MWLCHTKSSA-N 0 2 385.848 3.199 20 0 GGADLN C[C@@H]1C[N@@H+](Cn2nc(Cc3c(F)cccc3Cl)oc2=S)C[C@H]1C(=O)[O-] ZINC000828471633 601820290 /nfs/dbraw/zinc/82/02/90/601820290.db2.gz NHHLCXXVJGWWQW-MWLCHTKSSA-N 0 2 385.848 3.199 20 0 GGADLN C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N3CCC(CCC(=O)[O-])CC3)n2)C1 ZINC000656600735 601838661 /nfs/dbraw/zinc/83/86/61/601838661.db2.gz LCUOMGWWTITEIT-AWEZNQCLSA-N 0 2 394.541 3.484 20 0 GGADLN C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CCC(CCC(=O)[O-])CC3)n2)C1 ZINC000656600735 601838663 /nfs/dbraw/zinc/83/86/63/601838663.db2.gz LCUOMGWWTITEIT-AWEZNQCLSA-N 0 2 394.541 3.484 20 0 GGADLN O=C([O-])Cc1csc(NC(=O)N[C@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)n1 ZINC000833269479 601857774 /nfs/dbraw/zinc/85/77/74/601857774.db2.gz OMWRBINMCUODNU-WBVHZDCISA-N 0 2 397.460 3.017 20 0 GGADLN CCCC[N@@H+]1Cc2cccc(NS(=O)(=O)c3cccc(F)c3C(=O)[O-])c2C1 ZINC000829395390 601861204 /nfs/dbraw/zinc/86/12/04/601861204.db2.gz DOOGZQHNGJYYQI-UHFFFAOYSA-N 0 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C[C@]1(C(=O)[O-])CC[N@H+](Cn2nc(-c3cccnc3)n(-c3ccccc3)c2=S)C1 ZINC000828029077 601888913 /nfs/dbraw/zinc/88/89/13/601888913.db2.gz PIEGLWPIILPXML-FQEVSTJZSA-N 0 2 395.488 3.219 20 0 GGADLN C[C@]1(C(=O)[O-])CC[N@@H+](Cn2nc(-c3cccnc3)n(-c3ccccc3)c2=S)C1 ZINC000828029077 601888915 /nfs/dbraw/zinc/88/89/15/601888915.db2.gz PIEGLWPIILPXML-FQEVSTJZSA-N 0 2 395.488 3.219 20 0 GGADLN C[C@]1(C(=O)[O-])CC[N@H+](Cn2nc(-c3cccc(Br)c3)oc2=S)C1 ZINC000828029035 601893837 /nfs/dbraw/zinc/89/38/37/601893837.db2.gz NLTHGJGDNSPDOP-HNNXBMFYSA-N 0 2 398.282 3.389 20 0 GGADLN C[C@]1(C(=O)[O-])CC[N@@H+](Cn2nc(-c3cccc(Br)c3)oc2=S)C1 ZINC000828029035 601893840 /nfs/dbraw/zinc/89/38/40/601893840.db2.gz NLTHGJGDNSPDOP-HNNXBMFYSA-N 0 2 398.282 3.389 20 0 GGADLN C[C@@]1(C(=O)[O-])CC[N@H+](Cn2nc(COc3ccc(Cl)cc3)oc2=S)C1 ZINC000828035355 601894010 /nfs/dbraw/zinc/89/40/10/601894010.db2.gz LTLRZDCUPUFENC-MRXNPFEDSA-N 0 2 383.857 3.192 20 0 GGADLN C[C@@]1(C(=O)[O-])CC[N@@H+](Cn2nc(COc3ccc(Cl)cc3)oc2=S)C1 ZINC000828035355 601894014 /nfs/dbraw/zinc/89/40/14/601894014.db2.gz LTLRZDCUPUFENC-MRXNPFEDSA-N 0 2 383.857 3.192 20 0 GGADLN C[C@]1(C(=O)[O-])CC[N@H+](Cn2[nH]c(-c3ccc(Br)cc3)nc2=S)C1 ZINC000828028867 601895634 /nfs/dbraw/zinc/89/56/34/601895634.db2.gz GEEAGKGZVLHZBY-HNNXBMFYSA-N 0 2 397.298 3.124 20 0 GGADLN C[C@]1(C(=O)[O-])CC[N@@H+](Cn2[nH]c(-c3ccc(Br)cc3)nc2=S)C1 ZINC000828028867 601895637 /nfs/dbraw/zinc/89/56/37/601895637.db2.gz GEEAGKGZVLHZBY-HNNXBMFYSA-N 0 2 397.298 3.124 20 0 GGADLN COC(=O)c1cc(F)ccc1C[N@H+](C)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000831250611 601899874 /nfs/dbraw/zinc/89/98/74/601899874.db2.gz CCBZOUMQMGRZBA-INIZCTEOSA-N 0 2 385.313 3.287 20 0 GGADLN COC(=O)c1cc(F)ccc1C[N@@H+](C)[C@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000831250611 601899877 /nfs/dbraw/zinc/89/98/77/601899877.db2.gz CCBZOUMQMGRZBA-INIZCTEOSA-N 0 2 385.313 3.287 20 0 GGADLN COC(=O)c1cc(F)ccc1C[N@H+](C)[C@@H](C(=O)[O-])c1cc(F)c(F)c(F)c1 ZINC000831250615 601899937 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3.415 20 0 GGADLN C[N@H+](CC(=O)Nc1ccccc1Br)Cc1ccc(C(=O)[O-])s1 ZINC000830683829 601936895 /nfs/dbraw/zinc/93/68/95/601936895.db2.gz MAHZSOHEILFKRJ-UHFFFAOYSA-N 0 2 383.267 3.279 20 0 GGADLN C[N@@H+](CC(=O)Nc1ccccc1Br)Cc1ccc(C(=O)[O-])s1 ZINC000830683829 601936899 /nfs/dbraw/zinc/93/68/99/601936899.db2.gz MAHZSOHEILFKRJ-UHFFFAOYSA-N 0 2 383.267 3.279 20 0 GGADLN CNC(=O)C[N@H+](Cc1ccc(C(=O)[O-])s1)Cc1cccc(C(F)(F)F)c1 ZINC000830986916 601958491 /nfs/dbraw/zinc/95/84/91/601958491.db2.gz ARUBDUZMZQCOTK-UHFFFAOYSA-N 0 2 386.395 3.213 20 0 GGADLN CNC(=O)C[N@@H+](Cc1ccc(C(=O)[O-])s1)Cc1cccc(C(F)(F)F)c1 ZINC000830986916 601958493 /nfs/dbraw/zinc/95/84/93/601958493.db2.gz ARUBDUZMZQCOTK-UHFFFAOYSA-N 0 2 386.395 3.213 20 0 GGADLN CN(Cc1ccccc1)C(=O)C[NH2+][C@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC000830853136 601972305 /nfs/dbraw/zinc/97/23/05/601972305.db2.gz XYCZSZVSNKIZJB-KRWDZBQOSA-N 0 2 381.259 3.367 20 0 GGADLN O=C([O-])[C@@H]([NH2+]CC(=O)N1CCc2ccccc2C1)c1cc(Cl)cc(Cl)c1 ZINC000833168320 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SEDUBWIHCVXJJZ-HNNXBMFYSA-N 0 2 394.431 3.371 20 0 GGADLN CCn1c(-c2ccccn2)nn(C[N@H+](CCC(=O)[O-])Cc2ccccc2)c1=S ZINC000830403578 602191362 /nfs/dbraw/zinc/19/13/62/602191362.db2.gz RTLRVBGQHHCDMS-UHFFFAOYSA-N 0 2 397.504 3.430 20 0 GGADLN CCn1c(-c2ccccn2)nn(C[N@@H+](CCC(=O)[O-])Cc2ccccc2)c1=S ZINC000830403578 602191366 /nfs/dbraw/zinc/19/13/66/602191366.db2.gz RTLRVBGQHHCDMS-UHFFFAOYSA-N 0 2 397.504 3.430 20 0 GGADLN CC(C)[N@H+](CCC(=O)[O-])Cn1nc(-c2ccco2)n(Cc2ccco2)c1=S ZINC000826947400 602192591 /nfs/dbraw/zinc/19/25/91/602192591.db2.gz SLGZHAYCAXWREE-UHFFFAOYSA-N 0 2 390.465 3.458 20 0 GGADLN CC(C)[N@@H+](CCC(=O)[O-])Cn1nc(-c2ccco2)n(Cc2ccco2)c1=S ZINC000826947400 602192594 /nfs/dbraw/zinc/19/25/94/602192594.db2.gz SLGZHAYCAXWREE-UHFFFAOYSA-N 0 2 390.465 3.458 20 0 GGADLN C[C@@H]1C[N@H+](Cn2nc(-c3ccccn3)n(-c3ccccc3)c2=S)C[C@H]1C(=O)[O-] ZINC000828464354 602198434 /nfs/dbraw/zinc/19/84/34/602198434.db2.gz UDPNLJBQOIKVDK-GDBMZVCRSA-N 0 2 395.488 3.075 20 0 GGADLN C[C@@H]1C[N@@H+](Cn2nc(-c3ccccn3)n(-c3ccccc3)c2=S)C[C@H]1C(=O)[O-] ZINC000828464354 602198437 /nfs/dbraw/zinc/19/84/37/602198437.db2.gz UDPNLJBQOIKVDK-GDBMZVCRSA-N 0 2 395.488 3.075 20 0 GGADLN C[C@]1(C(=O)[O-])CC[N@H+](Cn2nc(-c3ccccn3)n(-c3ccccc3)c2=S)C1 ZINC000828029275 602199538 /nfs/dbraw/zinc/19/95/38/602199538.db2.gz XLDFHERTNWVJDL-FQEVSTJZSA-N 0 2 395.488 3.219 20 0 GGADLN C[C@]1(C(=O)[O-])CC[N@@H+](Cn2nc(-c3ccccn3)n(-c3ccccc3)c2=S)C1 ZINC000828029275 602199541 /nfs/dbraw/zinc/19/95/41/602199541.db2.gz XLDFHERTNWVJDL-FQEVSTJZSA-N 0 2 395.488 3.219 20 0 GGADLN O=C([O-])COc1ccc(NC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)c2ccccc12 ZINC000833256337 602221813 /nfs/dbraw/zinc/22/18/13/602221813.db2.gz ORDFGVWWJGEDQB-UHFFFAOYSA-N 0 2 394.431 3.438 20 0 GGADLN O=C([O-])COc1ccc(NC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)c2ccccc12 ZINC000833256329 602223140 /nfs/dbraw/zinc/22/31/40/602223140.db2.gz OKWHJBJURQOALA-AWEZNQCLSA-N 0 2 394.431 3.438 20 0 GGADLN Cc1nc2ccccn2c1C[NH+]1CCN([C@H](C(=O)[O-])c2ccc(Cl)cc2)CC1 ZINC000833006647 602326502 /nfs/dbraw/zinc/32/65/02/602326502.db2.gz HOIDZQLJLURTLR-FQEVSTJZSA-N 0 2 398.894 3.240 20 0 GGADLN C[C@H]1CCN(C(=O)Nc2cccc(CSCC(=O)[O-])c2)C[C@H]1n1cc[nH+]c1 ZINC000828278067 602352781 /nfs/dbraw/zinc/35/27/81/602352781.db2.gz OIYUQVIJDZFFHP-WMLDXEAASA-N 0 2 388.493 3.316 20 0 GGADLN C[C@@H]1CCN(C(=O)Nc2ccc(C(=O)[O-])cc2OC(F)F)C[C@H]1n1cc[nH+]c1 ZINC000828277601 602352790 /nfs/dbraw/zinc/35/27/90/602352790.db2.gz KNINQZLMZXCMCP-BXUZGUMPSA-N 0 2 394.378 3.298 20 0 GGADLN CC(C)(NC(=O)[O-])C(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000736331312 602357605 /nfs/dbraw/zinc/35/76/05/602357605.db2.gz JGQHYYNPSBOFDT-UHFFFAOYSA-N 0 2 392.459 3.261 20 0 GGADLN COc1cccc([C@H](C)[NH+]2CCN(C(=O)c3cccc(NC(=O)[O-])c3)CC2)c1 ZINC000738090734 602362795 /nfs/dbraw/zinc/36/27/95/602362795.db2.gz IDYMOJORXBXRDB-HNNXBMFYSA-N 0 2 383.448 3.304 20 0 GGADLN COc1cccc([C@@H](C)[NH+]2CCN(C(=O)c3cccc(NC(=O)[O-])c3)CC2)c1 ZINC000738090736 602362815 /nfs/dbraw/zinc/36/28/15/602362815.db2.gz IDYMOJORXBXRDB-OAHLLOKOSA-N 0 2 383.448 3.304 20 0 GGADLN O=C([O-])COc1ccc(NC(=O)NCc2ccn3cc[nH+]c3c2)c2ccccc12 ZINC000833257967 602367189 /nfs/dbraw/zinc/36/71/89/602367189.db2.gz GDCNCRHOIYIUBQ-UHFFFAOYSA-N 0 2 390.399 3.273 20 0 GGADLN O=C([O-])c1ccc(F)c(S(=O)(=O)N(Cc2ccccc2)c2cc[nH+]cc2)c1 ZINC000833319959 602401493 /nfs/dbraw/zinc/40/14/93/602401493.db2.gz SRPFHBSGMUDUBE-UHFFFAOYSA-N 0 2 386.404 3.314 20 0 GGADLN O=C([O-])c1ccc(NC(=O)c2cccc(NC(=O)CCn3cc[nH+]c3)c2)cc1F ZINC000833103690 602403185 /nfs/dbraw/zinc/40/31/85/602403185.db2.gz AXBLZXJIHLTPRM-UHFFFAOYSA-N 0 2 396.378 3.002 20 0 GGADLN O=C([O-])Nc1ccc(-c2nc(-c3cccc(C[NH+]4CCOCC4)c3)no2)cc1 ZINC000738662032 602414829 /nfs/dbraw/zinc/41/48/29/602414829.db2.gz PSIAXIWTKNJWCP-UHFFFAOYSA-N 0 2 380.404 3.326 20 0 GGADLN CN(C)c1ccc([NH+]2CCC(NC(=O)c3ccc(NC(=O)[O-])cc3)CC2)cc1 ZINC000737374889 602783974 /nfs/dbraw/zinc/78/39/74/602783974.db2.gz BHJJHCPWNBABBN-UHFFFAOYSA-N 0 2 382.464 3.241 20 0 GGADLN CCOC(=O)c1c[nH+]c2ccc(OC)cc2c1N1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000829890540 604267438 /nfs/dbraw/zinc/26/74/38/604267438.db2.gz XYGGTQHTCOPKET-INIZCTEOSA-N 0 2 384.432 3.111 20 0 GGADLN CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1ccc(C(=O)[O-])c(F)c1 ZINC000829692501 604296401 /nfs/dbraw/zinc/29/64/01/604296401.db2.gz JYXQXXTZMGAVFG-UHFFFAOYSA-N 0 2 385.439 3.298 20 0 GGADLN CC(C)c1cnc(C[N@H+](C)[C@H]2CCN(C(=O)c3cccc(NC(=O)[O-])c3)C2)o1 ZINC000824475939 604308443 /nfs/dbraw/zinc/30/84/43/604308443.db2.gz CWQPMERVNVWTTB-INIZCTEOSA-N 0 2 386.452 3.234 20 0 GGADLN CC(C)c1cnc(C[N@@H+](C)[C@H]2CCN(C(=O)c3cccc(NC(=O)[O-])c3)C2)o1 ZINC000824475939 604308446 /nfs/dbraw/zinc/30/84/46/604308446.db2.gz CWQPMERVNVWTTB-INIZCTEOSA-N 0 2 386.452 3.234 20 0 GGADLN CC(C)c1cnc(C[N@H+](C)[C@@H]2CCN(C(=O)c3ccc(NC(=O)[O-])cc3)C2)o1 ZINC000824476300 604308772 /nfs/dbraw/zinc/30/87/72/604308772.db2.gz KJNAVXGTGSFRJK-MRXNPFEDSA-N 0 2 386.452 3.234 20 0 GGADLN CC(C)c1cnc(C[N@@H+](C)[C@@H]2CCN(C(=O)c3ccc(NC(=O)[O-])cc3)C2)o1 ZINC000824476300 604308777 /nfs/dbraw/zinc/30/87/77/604308777.db2.gz KJNAVXGTGSFRJK-MRXNPFEDSA-N 0 2 386.452 3.234 20 0 GGADLN CC(C)c1cnc(C[N@H+](C)[C@H]2CCN(C(=O)c3ccc(NC(=O)[O-])cc3)C2)o1 ZINC000824476299 604308820 /nfs/dbraw/zinc/30/88/20/604308820.db2.gz KJNAVXGTGSFRJK-INIZCTEOSA-N 0 2 386.452 3.234 20 0 GGADLN CC(C)c1cnc(C[N@@H+](C)[C@H]2CCN(C(=O)c3ccc(NC(=O)[O-])cc3)C2)o1 ZINC000824476299 604308825 /nfs/dbraw/zinc/30/88/25/604308825.db2.gz KJNAVXGTGSFRJK-INIZCTEOSA-N 0 2 386.452 3.234 20 0 GGADLN CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1c(C)[nH]c(C(=O)[O-])c1C ZINC000829692256 604328628 /nfs/dbraw/zinc/32/86/28/604328628.db2.gz DMRILGCEGRWRIG-UHFFFAOYSA-N 0 2 384.480 3.103 20 0 GGADLN CC(C)(C(=O)[O-])[C@@H](NC(=O)NCc1cc[nH+]c(N2CCCC2)c1)c1ccccc1 ZINC000826102584 604459347 /nfs/dbraw/zinc/45/93/47/604459347.db2.gz CDDYMGDRECQBRL-IBGZPJMESA-N 0 2 396.491 3.333 20 0 GGADLN C[N@H+](Cc1nc(-c2ccc(Br)s2)no1)C1(C(=O)[O-])CCCC1 ZINC000830869876 604462307 /nfs/dbraw/zinc/46/23/07/604462307.db2.gz OSMYRNBCJXCHFG-UHFFFAOYSA-N 0 2 386.271 3.390 20 0 GGADLN C[N@@H+](Cc1nc(-c2ccc(Br)s2)no1)C1(C(=O)[O-])CCCC1 ZINC000830869876 604462312 /nfs/dbraw/zinc/46/23/12/604462312.db2.gz OSMYRNBCJXCHFG-UHFFFAOYSA-N 0 2 386.271 3.390 20 0 GGADLN CC(C)(C(=O)[O-])[C@@H](NC(=O)NC1CCN(c2cccc[nH+]2)CC1)c1ccccc1 ZINC000826095046 604464166 /nfs/dbraw/zinc/46/41/66/604464166.db2.gz HDNVGQNESRPYPH-IBGZPJMESA-N 0 2 396.491 3.202 20 0 GGADLN COC(=O)[C@H](c1cccc(C(=O)[O-])c1)[NH+]1CCC([C@@H](O)c2ccccc2)CC1 ZINC000833700840 604471837 /nfs/dbraw/zinc/47/18/37/604471837.db2.gz FWCDHPCSCDRSLL-PMACEKPBSA-N 0 2 383.444 3.045 20 0 GGADLN COC(=O)[C@@H](c1cccc(C(=O)[O-])c1)[NH+]1CCC([C@H](O)c2ccccc2)CC1 ZINC000833700850 604471914 /nfs/dbraw/zinc/47/19/14/604471914.db2.gz FWCDHPCSCDRSLL-WOJBJXKFSA-N 0 2 383.444 3.045 20 0 GGADLN COC(=O)[C@@H](c1cccc(C(=O)[O-])c1)[N@@H+]1CCCN(c2ccc(C)cc2)CC1 ZINC000833701405 604473642 /nfs/dbraw/zinc/47/36/42/604473642.db2.gz JREKOCIXKNANHP-HXUWFJFHSA-N 0 2 382.460 3.120 20 0 GGADLN COC(=O)[C@@H](c1cccc(C(=O)[O-])c1)[N@H+]1CCCN(c2ccc(C)cc2)CC1 ZINC000833701405 604473643 /nfs/dbraw/zinc/47/36/43/604473643.db2.gz JREKOCIXKNANHP-HXUWFJFHSA-N 0 2 382.460 3.120 20 0 GGADLN COC(=O)[C@H](c1cccc(C(=O)[O-])c1)[N@@H+]1CCCN(c2ccc(C)cc2)CC1 ZINC000833701404 604473865 /nfs/dbraw/zinc/47/38/65/604473865.db2.gz JREKOCIXKNANHP-FQEVSTJZSA-N 0 2 382.460 3.120 20 0 GGADLN COC(=O)[C@H](c1cccc(C(=O)[O-])c1)[N@H+]1CCCN(c2ccc(C)cc2)CC1 ZINC000833701404 604473868 /nfs/dbraw/zinc/47/38/68/604473868.db2.gz JREKOCIXKNANHP-FQEVSTJZSA-N 0 2 382.460 3.120 20 0 GGADLN Cc1[nH]c(C(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c(C)c1C(=O)[O-] ZINC000833740056 604530100 /nfs/dbraw/zinc/53/01/00/604530100.db2.gz NOQSORLXJDULIQ-WMLDXEAASA-N 0 2 393.846 3.297 20 0 GGADLN Cc1[nH]c(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c(C)c1C(=O)[O-] ZINC000833740056 604530103 /nfs/dbraw/zinc/53/01/03/604530103.db2.gz NOQSORLXJDULIQ-WMLDXEAASA-N 0 2 393.846 3.297 20 0 GGADLN C[C@H](Oc1ccc(C[N@@H+]2CCC[C@H]2C(=O)OCc2ccccc2)cc1)C(=O)[O-] ZINC000833539507 604530623 /nfs/dbraw/zinc/53/06/23/604530623.db2.gz GRYDBQTXRFVUPH-JXFKEZNVSA-N 0 2 383.444 3.246 20 0 GGADLN C[C@H](Oc1ccc(C[N@H+]2CCC[C@H]2C(=O)OCc2ccccc2)cc1)C(=O)[O-] ZINC000833539507 604530627 /nfs/dbraw/zinc/53/06/27/604530627.db2.gz GRYDBQTXRFVUPH-JXFKEZNVSA-N 0 2 383.444 3.246 20 0 GGADLN C[C@@H](Oc1ccc(C[N@@H+]2CCC[C@@H]2C(=O)OCc2ccccc2)cc1)C(=O)[O-] ZINC000833539512 604530991 /nfs/dbraw/zinc/53/09/91/604530991.db2.gz GRYDBQTXRFVUPH-OXQOHEQNSA-N 0 2 383.444 3.246 20 0 GGADLN C[C@@H](Oc1ccc(C[N@H+]2CCC[C@@H]2C(=O)OCc2ccccc2)cc1)C(=O)[O-] ZINC000833539512 604530994 /nfs/dbraw/zinc/53/09/94/604530994.db2.gz GRYDBQTXRFVUPH-OXQOHEQNSA-N 0 2 383.444 3.246 20 0 GGADLN C[C@H](Oc1ccc(C[N@@H+]2CCC[C@@H]2C(=O)OCc2ccccc2)cc1)C(=O)[O-] ZINC000833539509 604531260 /nfs/dbraw/zinc/53/12/60/604531260.db2.gz GRYDBQTXRFVUPH-OXJNMPFZSA-N 0 2 383.444 3.246 20 0 GGADLN C[C@H](Oc1ccc(C[N@H+]2CCC[C@@H]2C(=O)OCc2ccccc2)cc1)C(=O)[O-] ZINC000833539509 604531261 /nfs/dbraw/zinc/53/12/61/604531261.db2.gz GRYDBQTXRFVUPH-OXJNMPFZSA-N 0 2 383.444 3.246 20 0 GGADLN C[C@@H](Oc1ccc(C[NH+]2CCN(C(=O)CCC3CCCC3)CC2)cc1)C(=O)[O-] ZINC000833538438 604531665 /nfs/dbraw/zinc/53/16/65/604531665.db2.gz CJAOEJCYALUWAT-QGZVFWFLSA-N 0 2 388.508 3.153 20 0 GGADLN C[C@@H]1CCN(C(=O)N[C@H](c2ccccc2)C(C)(C)C(=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000828278142 604536311 /nfs/dbraw/zinc/53/63/11/604536311.db2.gz PCCDWFUWLOWIEE-KBAYOESNSA-N 0 2 384.480 3.328 20 0 GGADLN CC(C)[C@H](C(=O)Nc1cccc(SCCC(=O)[O-])c1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000833624413 604572262 /nfs/dbraw/zinc/57/22/62/604572262.db2.gz QPLKYBYPEAXPFM-SPYBWZPUSA-N 0 2 394.537 3.326 20 0 GGADLN C[C@H](c1cccc(NC(=O)NCCc2cccc(C(=O)[O-])c2)c1)[NH+]1CCOCC1 ZINC000833548002 604587754 /nfs/dbraw/zinc/58/77/54/604587754.db2.gz JRXCBRMFFNQTSC-MRXNPFEDSA-N 0 2 397.475 3.142 20 0 GGADLN Cn1cc[nH+]c1[C@@H]1CCN(C(=O)Nc2ccc(OCC(=O)[O-])c3ccccc23)C1 ZINC000833759586 604598290 /nfs/dbraw/zinc/59/82/90/604598290.db2.gz DXWGTYJPNLPJIY-CQSZACIVSA-N 0 2 394.431 3.058 20 0 GGADLN C[C@@H]1CCCN(c2cc(N3CCC(Nc4cccc(C(=O)[O-])c4)CC3)[nH+]cn2)C1 ZINC000582609848 604640151 /nfs/dbraw/zinc/64/01/51/604640151.db2.gz ORMFWLZBFRAZAU-MRXNPFEDSA-N 0 2 395.507 3.492 20 0 GGADLN C[C@@H]1CCCN(c2cc(N3CCC(Nc4cccc(C(=O)[O-])c4)CC3)nc[nH+]2)C1 ZINC000582609848 604640156 /nfs/dbraw/zinc/64/01/56/604640156.db2.gz ORMFWLZBFRAZAU-MRXNPFEDSA-N 0 2 395.507 3.492 20 0 GGADLN CC[C@@H](c1ccccc1)[N@H+](CC(=O)[O-])CC(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000829025426 604649580 /nfs/dbraw/zinc/64/95/80/604649580.db2.gz CREZWIUVXOJKMP-CVEARBPZSA-N 0 2 386.414 3.325 20 0 GGADLN CC[C@@H](c1ccccc1)[N@@H+](CC(=O)[O-])CC(=O)N1CCC[C@@H](C(F)(F)F)C1 ZINC000829025426 604649581 /nfs/dbraw/zinc/64/95/81/604649581.db2.gz CREZWIUVXOJKMP-CVEARBPZSA-N 0 2 386.414 3.325 20 0 GGADLN C[N@H+](Cc1nc(-c2cc(F)c(F)c(F)c2)no1)Cc1ccc(C(=O)[O-])cc1 ZINC000830819458 604671293 /nfs/dbraw/zinc/67/12/93/604671293.db2.gz NIJSADOQJSQBLN-UHFFFAOYSA-N 0 2 377.322 3.484 20 0 GGADLN C[N@@H+](Cc1nc(-c2cc(F)c(F)c(F)c2)no1)Cc1ccc(C(=O)[O-])cc1 ZINC000830819458 604671294 /nfs/dbraw/zinc/67/12/94/604671294.db2.gz NIJSADOQJSQBLN-UHFFFAOYSA-N 0 2 377.322 3.484 20 0 GGADLN O=C([O-])CCC[N@@H+](Cc1ccccc1)Cn1nc(-c2ccccc2F)ccc1=O ZINC000833226818 604765536 /nfs/dbraw/zinc/76/55/36/604765536.db2.gz KAIPUUAJTDKCCH-UHFFFAOYSA-N 0 2 395.434 3.374 20 0 GGADLN O=C([O-])CCC[N@H+](Cc1ccccc1)Cn1nc(-c2ccccc2F)ccc1=O ZINC000833226818 604765537 /nfs/dbraw/zinc/76/55/37/604765537.db2.gz KAIPUUAJTDKCCH-UHFFFAOYSA-N 0 2 395.434 3.374 20 0 GGADLN CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)CCc1ccccc1C(=O)[O-] ZINC000833654200 604765843 /nfs/dbraw/zinc/76/58/43/604765843.db2.gz GMMVOWQRQJOAGD-UHFFFAOYSA-N 0 2 395.503 3.478 20 0 GGADLN CC(C)OC[C@@H](C(=O)[O-])[N@H+](C)Cc1cccc2c1N(C(=O)OC(C)(C)C)CC2 ZINC000833504301 604766961 /nfs/dbraw/zinc/76/69/61/604766961.db2.gz BPEXLFKLIYRYLJ-KRWDZBQOSA-N 0 2 392.496 3.294 20 0 GGADLN CC(C)OC[C@@H](C(=O)[O-])[N@@H+](C)Cc1cccc2c1N(C(=O)OC(C)(C)C)CC2 ZINC000833504301 604766963 /nfs/dbraw/zinc/76/69/63/604766963.db2.gz BPEXLFKLIYRYLJ-KRWDZBQOSA-N 0 2 392.496 3.294 20 0 GGADLN C[C@H](Oc1ccc(C[N@@H+]2C[C@H](O)C[C@H]2c2cc(F)ccc2F)cc1)C(=O)[O-] ZINC000833537559 604773294 /nfs/dbraw/zinc/77/32/94/604773294.db2.gz LMLAQBMFXVBMDS-HGQUKEQDSA-N 0 2 377.387 3.125 20 0 GGADLN C[C@H](Oc1ccc(C[N@H+]2C[C@H](O)C[C@H]2c2cc(F)ccc2F)cc1)C(=O)[O-] ZINC000833537559 604773296 /nfs/dbraw/zinc/77/32/96/604773296.db2.gz LMLAQBMFXVBMDS-HGQUKEQDSA-N 0 2 377.387 3.125 20 0 GGADLN Cc1c(C(=O)[O-])sc2[nH]c(C[N@@H+]3CCC[C@@H](Nc4ccccc4)C3)nc(=O)c12 ZINC000832852681 604799178 /nfs/dbraw/zinc/79/91/78/604799178.db2.gz GCAKPUDTLNFDBG-CQSZACIVSA-N 0 2 398.488 3.068 20 0 GGADLN Cc1c(C(=O)[O-])sc2[nH]c(C[N@H+]3CCC[C@@H](Nc4ccccc4)C3)nc(=O)c12 ZINC000832852681 604799179 /nfs/dbraw/zinc/79/91/79/604799179.db2.gz GCAKPUDTLNFDBG-CQSZACIVSA-N 0 2 398.488 3.068 20 0 GGADLN Cc1cc(CNc2ccc(N3C[C@@H](C)O[C@@H](C)C3)[nH+]c2)cc(C)c1OCC(=O)[O-] ZINC000832886601 604807405 /nfs/dbraw/zinc/80/74/05/604807405.db2.gz VJWGRNBPZRSRGE-CALCHBBNSA-N 0 2 399.491 3.388 20 0 GGADLN COc1cccc([C@H](C)[NH+]2CCN(C(=O)c3ccc(C(=O)[O-])c(F)c3)CC2)c1 ZINC000832533145 604819462 /nfs/dbraw/zinc/81/94/62/604819462.db2.gz IUBIRHUPOYDWTK-AWEZNQCLSA-N 0 2 386.423 3.052 20 0 GGADLN C[C@H]1CCN(C(=O)Nc2ccc(OCC(=O)[O-])c(Cl)c2)C[C@H]1n1cc[nH+]c1 ZINC000828278072 604925015 /nfs/dbraw/zinc/92/50/15/604925015.db2.gz OKSIABANHNQCJN-SWLSCSKDSA-N 0 2 392.843 3.115 20 0 GGADLN CN(CCCn1cc[nH+]c1)C(=O)Nc1cc(C(=O)[O-])c(F)cc1Br ZINC000830777085 604959206 /nfs/dbraw/zinc/95/92/06/604959206.db2.gz NSOFOZZDCJMYME-UHFFFAOYSA-N 0 2 399.220 3.037 20 0 GGADLN Cn1c(COc2ccccc2Cl)nn(C[N@@H+]2CCC[C@H]2CC(=O)[O-])c1=S ZINC000833039504 604979546 /nfs/dbraw/zinc/97/95/46/604979546.db2.gz JMVYWMPLWDYBRC-LBPRGKRZSA-N 0 2 396.900 3.080 20 0 GGADLN Cn1c(COc2ccccc2Cl)nn(C[N@H+]2CCC[C@H]2CC(=O)[O-])c1=S ZINC000833039504 604979548 /nfs/dbraw/zinc/97/95/48/604979548.db2.gz JMVYWMPLWDYBRC-LBPRGKRZSA-N 0 2 396.900 3.080 20 0 GGADLN Cn1c(COc2ccc(Cl)cc2)nn(C[N@@H+]2CCC[C@@H]2CC(=O)[O-])c1=S ZINC000833040147 604982784 /nfs/dbraw/zinc/98/27/84/604982784.db2.gz VRQRQEPZYCHZEW-CYBMUJFWSA-N 0 2 396.900 3.080 20 0 GGADLN Cn1c(COc2ccc(Cl)cc2)nn(C[N@H+]2CCC[C@@H]2CC(=O)[O-])c1=S ZINC000833040147 604982787 /nfs/dbraw/zinc/98/27/87/604982787.db2.gz VRQRQEPZYCHZEW-CYBMUJFWSA-N 0 2 396.900 3.080 20 0 GGADLN O=C([O-])C[C@@H]1CCC[N@@H+]1Cn1nc(-c2ccncc2)n(Cc2ccco2)c1=S ZINC000833211426 604983224 /nfs/dbraw/zinc/98/32/24/604983224.db2.gz HMXCRCLGYKTKIM-HNNXBMFYSA-N 0 2 399.476 3.014 20 0 GGADLN O=C([O-])C[C@@H]1CCC[N@H+]1Cn1nc(-c2ccncc2)n(Cc2ccco2)c1=S ZINC000833211426 604983228 /nfs/dbraw/zinc/98/32/28/604983228.db2.gz HMXCRCLGYKTKIM-HNNXBMFYSA-N 0 2 399.476 3.014 20 0 GGADLN 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385.844 3.211 20 0 GGADLN CCOc1ccc(NS(=O)(=O)c2cnn(Cc3ccccc3)c2)cc1OC ZINC000158562858 1424289518 /nfs/dbraw/zinc/28/95/18/1424289518.db2.gz PYUPCJOYCGQIEF-UHFFFAOYSA-N 0 2 387.461 3.140 20 0 GGADLN O=S(=O)(Nc1cccc(OC(F)F)c1)c1cnn(Cc2ccccc2)c1 ZINC000158625684 1424304999 /nfs/dbraw/zinc/30/49/99/1424304999.db2.gz SRUZJUMASQXLOD-UHFFFAOYSA-N 0 2 379.388 3.334 20 0 GGADLN O=C(NC1CCCC1)c1ccc(NS(=O)(=O)c2cccc(F)c2F)cc1 ZINC000158651413 1424310476 /nfs/dbraw/zinc/31/04/76/1424310476.db2.gz GIJMIHMNGGVZLH-UHFFFAOYSA-N 0 2 380.416 3.438 20 0 GGADLN CCOc1ccc(NS(=O)(=O)c2cnn(Cc3ccccc3)c2)cc1F ZINC000158664551 1424313925 /nfs/dbraw/zinc/31/39/25/1424313925.db2.gz XGXNGLZGNBHMQN-UHFFFAOYSA-N 0 2 375.425 3.270 20 0 GGADLN O=C(CCc1ccc(NS(=O)(=O)c2cccc(F)c2F)cc1)N1CCCC1 ZINC000158677907 1424316529 /nfs/dbraw/zinc/31/65/29/1424316529.db2.gz ZMHUUVVYAYZRMH-UHFFFAOYSA-N 0 2 394.443 3.321 20 0 GGADLN COCCn1ccc(NS(=O)(=O)c2ccc(OCC3CCCCC3)cc2)n1 ZINC000158801813 1424346382 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CCC[C@@H](C)c1cc(NS(=O)(=O)c2ccc(F)c(C(=O)OCC)c2)[nH]n1 ZINC000159889063 1424549790 /nfs/dbraw/zinc/54/97/90/1424549790.db2.gz UFUDBKPJEWFMMF-LLVKDONJSA-N 0 2 383.445 3.430 20 0 GGADLN CC[C@H](c1ccccc1)[N@H+](CC(=O)OC)Cc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000825159166 1424552974 /nfs/dbraw/zinc/55/29/74/1424552974.db2.gz KMNKOCLVSUFTMK-GOSISDBHSA-N 0 2 395.463 3.002 20 0 GGADLN CC[C@H](c1ccccc1)[N@@H+](CC(=O)OC)Cc1ccc(OC)c(-c2nnn[n-]2)c1 ZINC000825159166 1424552979 /nfs/dbraw/zinc/55/29/79/1424552979.db2.gz KMNKOCLVSUFTMK-GOSISDBHSA-N 0 2 395.463 3.002 20 0 GGADLN COc1ccc(-c2nnn[n-]2)cc1C[N@@H+]1CCn2cccc2[C@@H]1c1ccccc1 ZINC000826184143 1424578930 /nfs/dbraw/zinc/57/89/30/1424578930.db2.gz MJEFRMOREFVMNI-NRFANRHFSA-N 0 2 386.459 3.282 20 0 GGADLN COc1ccc(-c2nnn[n-]2)cc1C[N@H+]1CCn2cccc2[C@@H]1c1ccccc1 ZINC000826184143 1424578933 /nfs/dbraw/zinc/57/89/33/1424578933.db2.gz MJEFRMOREFVMNI-NRFANRHFSA-N 0 2 386.459 3.282 20 0 GGADLN CCCCn1ncc(NS(=O)(=O)c2ccc(Cl)c(C(=O)OC)c2)c1C ZINC000160147580 1424580020 /nfs/dbraw/zinc/58/00/20/1424580020.db2.gz YVVPKUBCUXURTE-UHFFFAOYSA-N 0 2 385.873 3.232 20 0 GGADLN CCCCn1ncc(NS(=O)(=O)c2ccc(F)c(C(=O)OCC)c2)c1C ZINC000160172969 1424582826 /nfs/dbraw/zinc/58/28/26/1424582826.db2.gz LMXVWEQMHZHJLT-UHFFFAOYSA-N 0 2 383.445 3.108 20 0 GGADLN FC(F)(F)c1ccc(N2CC[C@H](CNc3cccc[nH+]3)C2)c(-c2nnn[n-]2)c1 ZINC000822723294 1424588490 /nfs/dbraw/zinc/58/84/90/1424588490.db2.gz CVNWWGJHDJDOSY-GFCCVEGCSA-N 0 2 389.385 3.219 20 0 GGADLN C[C@@H](ONC(=O)C(C)(C)c1ccccc1)C(=O)N[C@@H]1CCOc2ccccc21 ZINC000160812606 1424636078 /nfs/dbraw/zinc/63/60/78/1424636078.db2.gz HWWIVLYCVJHLKK-CRAIPNDOSA-N 0 2 382.460 3.041 20 0 GGADLN COc1ccccc1[C@H](C)NC(=O)[C@@H](C)ONC(=O)C(C)(C)c1ccccc1 ZINC000160823261 1424636848 /nfs/dbraw/zinc/63/68/48/1424636848.db2.gz NUXKYCLUAHPQSY-JKSUJKDBSA-N 0 2 384.476 3.287 20 0 GGADLN C[C@H](Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824991395 1424735457 /nfs/dbraw/zinc/73/54/57/1424735457.db2.gz 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GGADLN C[C@H]([NH2+]Cc1nnc(-c2ccccc2Cl)o1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824633627 1426024169 /nfs/dbraw/zinc/02/41/69/1426024169.db2.gz PSSWXCCGKOMQGB-NSHDSACASA-N 0 2 381.827 3.421 20 0 GGADLN C[C@@H](Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824991396 1426114526 /nfs/dbraw/zinc/11/45/26/1426114526.db2.gz APRKHIZFRSSNKO-MGPQQGTHSA-N 0 2 397.458 3.188 20 0 GGADLN CCn1c(=O)c2ccc(C(=O)N3Cc4ccccc4C[C@H]3C)cc2[nH]c1=S ZINC000172670573 1426136236 /nfs/dbraw/zinc/13/62/36/1426136236.db2.gz WDABDJFPVVMFPP-CYBMUJFWSA-N 0 2 379.485 3.292 20 0 GGADLN Cc1ccc(-c2ocnc2C(=O)N(C)Cc2nc(=O)c3sccc3[nH]2)cc1 ZINC000172721004 1426159467 /nfs/dbraw/zinc/15/94/67/1426159467.db2.gz DYJOTXJURIKFCY-UHFFFAOYSA-N 0 2 380.429 3.220 20 0 GGADLN CCOc1ccc(NS(=O)(=O)c2cnn(-c3ccccc3F)c2)cc1OC ZINC000172883007 1426237873 /nfs/dbraw/zinc/23/78/73/1426237873.db2.gz IGHXKQBWISDPBV-UHFFFAOYSA-N 0 2 391.424 3.220 20 0 GGADLN CC1(C)Oc2ccc(NS(=O)(=O)c3cnn(-c4ccccc4F)c3)cc2O1 ZINC000172885732 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CCOc1cccc2[nH]cc(CC(=O)N(C)Cc3nc(=O)c4sccc4[nH]3)c21 ZINC000188088870 1431845059 /nfs/dbraw/zinc/84/50/59/1431845059.db2.gz HSARAUSFJRHLNO-UHFFFAOYSA-N 0 2 396.472 3.066 20 0 GGADLN O=S(=O)(Nc1ccc2nnc(C3CCC3)n2c1)c1ccc(C(F)(F)F)nc1 ZINC000188229844 1431863630 /nfs/dbraw/zinc/86/36/30/1431863630.db2.gz QUONZGBEJVADPI-UHFFFAOYSA-N 0 2 397.382 3.211 20 0 GGADLN O=S(=O)(Nc1ccc2nnc(C3CCC3)n2c1)c1cccc2cccnc21 ZINC000188235147 1431864419 /nfs/dbraw/zinc/86/44/19/1431864419.db2.gz VSGTTYZXFNJMSM-UHFFFAOYSA-N 0 2 379.445 3.346 20 0 GGADLN O=C(Nc1cccc(NS(=O)(=O)c2cnc(-c3ccccc3)nc2)c1)C1CC1 ZINC000188338959 1431874709 /nfs/dbraw/zinc/87/47/09/1431874709.db2.gz ZJGVUSCWDFNYAQ-UHFFFAOYSA-N 0 2 394.456 3.293 20 0 GGADLN COc1ccc(OC)c([C@@H]2C[C@H]2C(=O)Nc2nc(-c3ccccc3F)n[nH]2)c1 ZINC000188373887 1431878435 /nfs/dbraw/zinc/87/84/35/1431878435.db2.gz ZOFOCBIGBGLLMN-DZGCQCFKSA-N 0 2 382.395 3.370 20 0 GGADLN CCNC(=O)c1ccc(NS(=O)(=O)c2cnc(-c3ccccc3)nc2)c(C)c1 ZINC000188386837 1431879925 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O=C(NOCc1ccc(F)cc1Br)c1ccc([N+](=O)[O-])cc1O ZINC000188909002 1432006973 /nfs/dbraw/zinc/00/69/73/1432006973.db2.gz QQEKDNSBLFGPCK-UHFFFAOYSA-N 0 2 385.145 3.064 20 0 GGADLN O=C(NNc1ccc([N+](=O)[O-])cc1Br)c1cc(F)c(O)c(F)c1 ZINC000189129698 1432049579 /nfs/dbraw/zinc/04/95/79/1432049579.db2.gz RDJNVOKVGCSZCY-UHFFFAOYSA-N 0 2 388.124 3.098 20 0 GGADLN O=C(Nc1nc(-c2ccccc2F)n[nH]1)c1cn(-c2cccc(Cl)c2)nn1 ZINC000189251453 1432071696 /nfs/dbraw/zinc/07/16/96/1432071696.db2.gz WQRQTTPGZQQDQB-UHFFFAOYSA-N 0 2 383.774 3.097 20 0 GGADLN COCCCn1c(=O)c2ccc(C(=O)NCC(C)(C)C(C)C)cc2[nH]c1=S ZINC000189292151 1432079773 /nfs/dbraw/zinc/07/97/73/1432079773.db2.gz CRHAEAYKYCSHEW-UHFFFAOYSA-N 0 2 391.537 3.134 20 0 GGADLN CCn1c(=O)c2ccc(C(=O)Nc3cnn([C@H](C)C4CC4)c3)cc2[nH]c1=S ZINC000189349474 1432091029 /nfs/dbraw/zinc/09/10/29/1432091029.db2.gz WQLLYUNLDRHPEA-LLVKDONJSA-N 0 2 383.477 3.125 20 0 GGADLN CCc1c(NS(=O)(=O)c2cccc(C(=O)OC)c2)cnn1-c1ccccc1C ZINC000189458173 1432118660 /nfs/dbraw/zinc/11/86/60/1432118660.db2.gz YEBYHPMEVPUMJR-UHFFFAOYSA-N 0 2 399.472 3.331 20 0 GGADLN COC(=O)c1scc(C)c1S(=O)(=O)Nc1ccc(N2CCCC2)c(F)c1 ZINC000189669628 1432198084 /nfs/dbraw/zinc/19/80/84/1432198084.db2.gz CJEAIHAQINRMDB-UHFFFAOYSA-N 0 2 398.481 3.383 20 0 GGADLN Cc1ccc(C(=O)NCC2CC2)cc1NS(=O)(=O)c1c(C)cccc1F ZINC000190146912 1432328062 /nfs/dbraw/zinc/32/80/62/1432328062.db2.gz JWBTUERNDQWDHL-UHFFFAOYSA-N 0 2 376.453 3.383 20 0 GGADLN COc1ccc(N2CC(=O)C(C(=O)NC[C@@H]3CCO[C@H]3c3ccccc3)=N2)cc1 ZINC000190239746 1432347084 /nfs/dbraw/zinc/34/70/84/1432347084.db2.gz URTNGDQPLDPQLX-KKSFZXQISA-N 0 2 393.443 3.094 20 0 GGADLN CCS(=O)(=O)Nc1ccc(NS(=O)(=O)c2cc(C)c(Cl)s2)cc1 ZINC000190244404 1432347922 /nfs/dbraw/zinc/34/79/22/1432347922.db2.gz QIHFXRJVMWILJO-UHFFFAOYSA-N 0 2 394.927 3.272 20 0 GGADLN CCOC(=O)c1ccc(C)c(S(=O)(=O)Nc2cn(-c3ccccc3)nc2C)c1 ZINC000190337675 1432363819 /nfs/dbraw/zinc/36/38/19/1432363819.db2.gz WCMSOMHBJJPAIY-UHFFFAOYSA-N 0 2 399.472 3.467 20 0 GGADLN CCC(=O)c1cccc(S(=O)(=O)Nc2ccnn2Cc2ccc(F)cc2)c1 ZINC000190398735 1432373770 /nfs/dbraw/zinc/37/37/70/1432373770.db2.gz XFPYOXUJPWLMAU-UHFFFAOYSA-N 0 2 387.436 3.464 20 0 GGADLN COC(=O)[C@@H](C)N(C(=O)C1=NN(c2ccc(C(C)C)cc2)CC1=O)C1CCC1 ZINC000190412706 1432376797 /nfs/dbraw/zinc/37/67/97/1432376797.db2.gz HQSDDNVEYKVPNM-CQSZACIVSA-N 0 2 385.464 3.258 20 0 GGADLN COC(=O)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2-n2cccn2)c(C)o1 ZINC000190839403 1432502307 /nfs/dbraw/zinc/50/23/07/1432502307.db2.gz UVKXWIKJDBSVMS-UHFFFAOYSA-N 0 2 395.824 3.015 20 0 GGADLN COc1ccc(C(=O)N(C)Cc2nc(=O)c3sccc3[nH]2)c(OCC2CC2)c1 ZINC000190923206 1432530374 /nfs/dbraw/zinc/53/03/74/1432530374.db2.gz BHPYRNGNPFCMHU-UHFFFAOYSA-N 0 2 399.472 3.054 20 0 GGADLN N#CC(C(=O)[C@H]1CCCN1C(=O)Cc1ccccc1)c1cnc2ccccc2n1 ZINC000190935842 1432533039 /nfs/dbraw/zinc/53/30/39/1432533039.db2.gz GOGQWSCLEPEXTK-DYESRHJHSA-N 0 2 384.439 3.040 20 0 GGADLN N#CC(C(=O)CNC(=O)Cc1cccc2ccccc21)c1cnc2ccccc2n1 ZINC000190971593 1432540757 /nfs/dbraw/zinc/54/07/57/1432540757.db2.gz KHHKXZUWENFIDI-IBGZPJMESA-N 0 2 394.434 3.318 20 0 GGADLN CC(C)(C)OC(=O)N1CC[C@@](F)(C(=O)[C@@H](C#N)c2cnc3ccccc3n2)C1 ZINC000190991066 1432544910 /nfs/dbraw/zinc/54/49/10/1432544910.db2.gz MYHNEELIHHZYNR-RBZFPXEDSA-N 0 2 384.411 3.155 20 0 GGADLN COCCOc1ccc(F)cc1S(=O)(=O)Nc1c[nH]nc1-c1ccccc1 ZINC000190999436 1432546685 /nfs/dbraw/zinc/54/66/85/1432546685.db2.gz BAXZLYIQRLRPTJ-UHFFFAOYSA-N 0 2 391.424 3.042 20 0 GGADLN COCCOc1ccc(F)cc1S(=O)(=O)Nc1cccc2ncccc21 ZINC000191000057 1432546868 /nfs/dbraw/zinc/54/68/68/1432546868.db2.gz GAKMTOWQFHXLSD-UHFFFAOYSA-N 0 2 376.409 3.200 20 0 GGADLN CCOC(=O)c1ccc(C)c(S(=O)(=O)Nc2cccc(C(F)(F)F)n2)c1 ZINC000191540415 1432680519 /nfs/dbraw/zinc/68/05/19/1432680519.db2.gz XTINLFRJZQHYBP-UHFFFAOYSA-N 0 2 388.367 3.386 20 0 GGADLN CCOC(=O)c1ccc(C)c(S(=O)(=O)Nc2cc(C(F)(F)F)ccn2)c1 ZINC000191555475 1432682187 /nfs/dbraw/zinc/68/21/87/1432682187.db2.gz ZDZYLBGAYDDBJI-UHFFFAOYSA-N 0 2 388.367 3.386 20 0 GGADLN Cc1ccnc(-n2nccc2NS(=O)(=O)c2ccc(CC(F)(F)F)cc2)c1 ZINC000191779145 1432724155 /nfs/dbraw/zinc/72/41/55/1432724155.db2.gz OJDUGAPEIVOBIR-UHFFFAOYSA-N 0 2 396.394 3.481 20 0 GGADLN Cc1ccc(Br)nc1C(=O)NNC(=O)Cc1cccc2ccccc21 ZINC000191819738 1432732055 /nfs/dbraw/zinc/73/20/55/1432732055.db2.gz ITUFQEDMCYNCHK-UHFFFAOYSA-N 0 2 398.260 3.309 20 0 GGADLN CC[C@H](C)CC(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)nc(C)n2)cc1 ZINC000191830086 1432734563 /nfs/dbraw/zinc/73/45/63/1432734563.db2.gz ZPQLOGCYPDHTGT-LBPRGKRZSA-N 0 2 376.482 3.269 20 0 GGADLN CCc1cc(C2CC2)nc(NS(=O)(=O)c2c(C)nn(CC(C)C)c2C)n1 ZINC000191841391 1432737861 /nfs/dbraw/zinc/73/78/61/1432737861.db2.gz MADIXMTWAIKGHI-UHFFFAOYSA-N 0 2 377.514 3.187 20 0 GGADLN COc1cccc(OC)c1S(=O)(=O)Nc1cnn(-c2ccc(C)cc2C)c1 ZINC000191897334 1432750600 /nfs/dbraw/zinc/75/06/00/1432750600.db2.gz MVVLSYNGRCZVEG-UHFFFAOYSA-N 0 2 387.461 3.307 20 0 GGADLN C[C@H]1CN(C(=O)c2cc(-c3ccccc3)cc(Cl)c2O)CCS(=O)(=O)C1 ZINC000191899226 1432750894 /nfs/dbraw/zinc/75/08/94/1432750894.db2.gz OAJRQVKCNJICFJ-ZDUSSCGKSA-N 0 2 393.892 3.219 20 0 GGADLN CC(C)c1c(NS(=O)(=O)c2ccc3c(c2)C(=O)OC3)cnn1-c1ccccc1 ZINC000192153809 1432808759 /nfs/dbraw/zinc/80/87/59/1432808759.db2.gz OUVDQJDFZGAACQ-UHFFFAOYSA-N 0 2 397.456 3.467 20 0 GGADLN O=C(Nc1nc(-c2cccc([N+](=O)[O-])c2)n[nH]1)c1nc(Cl)ccc1Cl ZINC000192279250 1432826492 /nfs/dbraw/zinc/82/64/92/1432826492.db2.gz HBUITERKKSVXPQ-UHFFFAOYSA-N 0 2 379.163 3.334 20 0 GGADLN O=C(NNC(=O)c1ccc(Br)cc1Cl)c1ccoc1Cl ZINC000192305709 1432829853 /nfs/dbraw/zinc/82/98/53/1432829853.db2.gz CPVJDQAHVYXEEN-UHFFFAOYSA-N 0 2 378.009 3.424 20 0 GGADLN Cc1occc1-c1nnc(NS(=O)(=O)c2cccc3c2OC(C)(C)C3)o1 ZINC000192625771 1432867999 /nfs/dbraw/zinc/86/79/99/1432867999.db2.gz ZWEGXEZDWRVLLT-UHFFFAOYSA-N 0 2 375.406 3.152 20 0 GGADLN CN(c1ccccc1NS(=O)(=O)c1cnn(CC(F)F)c1)C1CCCC1 ZINC000192629402 1432868419 /nfs/dbraw/zinc/86/84/19/1432868419.db2.gz RALLXFNCPUMZFJ-UHFFFAOYSA-N 0 2 384.452 3.328 20 0 GGADLN CC(C)Oc1ccc(CNC(=O)N(C)Cc2nc(=O)c3sccc3[nH]2)cc1 ZINC000192639309 1432869924 /nfs/dbraw/zinc/86/99/24/1432869924.db2.gz ROCUEXVUTKEISW-UHFFFAOYSA-N 0 2 386.477 3.113 20 0 GGADLN COc1ccc(NC(=O)c2ccc(NC(=O)c3ccc4[nH]nnc4c3)cc2)cc1 ZINC000192646737 1432870960 /nfs/dbraw/zinc/87/09/60/1432870960.db2.gz FJCGIFAFZHQNHJ-UHFFFAOYSA-N 0 2 387.399 3.471 20 0 GGADLN O=C(CSc1nc(=O)cc(O)n1C1CCCC1)N1CCC[C@H]2CCCC[C@@H]21 ZINC000192708757 1432878032 /nfs/dbraw/zinc/87/80/32/1432878032.db2.gz XPCZQDLSWJGLLS-ZBFHGGJFSA-N 0 2 391.537 3.337 20 0 GGADLN O=C(CSc1nc(=O)cc(O)n1C1CCCC1)N1CCC[C@@H]2CCCC[C@H]21 ZINC000192708804 1432878039 /nfs/dbraw/zinc/87/80/39/1432878039.db2.gz XPCZQDLSWJGLLS-GOEBONIOSA-N 0 2 391.537 3.337 20 0 GGADLN CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)c2cc(C)c3ccccc3n2)C1=O ZINC000192749633 1432884348 /nfs/dbraw/zinc/88/43/48/1432884348.db2.gz JAUMAHWOADXCIT-QFIPXVFZSA-N 0 2 388.427 3.045 20 0 GGADLN Cc1ccc(CNC(=O)c2ccccc2NC(=O)c2ccc3[nH]nnc3c2)cc1 ZINC000192767751 1432887721 /nfs/dbraw/zinc/88/77/21/1432887721.db2.gz OXUYXEWXMSWYMA-UHFFFAOYSA-N 0 2 385.427 3.449 20 0 GGADLN CCOc1cc(C(=O)N(C)Cc2nc(=O)c3sccc3[nH]2)cc(Cl)c1O ZINC000192797620 1432892333 /nfs/dbraw/zinc/89/23/33/1432892333.db2.gz TXCIQDUDCVXTIN-UHFFFAOYSA-N 0 2 393.852 3.015 20 0 GGADLN O=S(=O)(Nc1nnc(-c2ccsc2)s1)c1cccc2nsnc21 ZINC000192833891 1432896509 /nfs/dbraw/zinc/89/65/09/1432896509.db2.gz HTXDSVKIFJGEPP-UHFFFAOYSA-N 0 2 381.489 3.072 20 0 GGADLN O=S(=O)(Nc1nnc(-c2ccc3c(c2)CCC3)o1)c1cccc2nsnc21 ZINC000192837521 1432897023 /nfs/dbraw/zinc/89/70/23/1432897023.db2.gz PFVRLCITVMAXIS-UHFFFAOYSA-N 0 2 399.457 3.031 20 0 GGADLN Cc1ccccc1CN(C)C(=O)CSc1nc(=O)cc(O)n1C1CCCC1 ZINC000192938682 1432910508 /nfs/dbraw/zinc/91/05/08/1432910508.db2.gz CJDIJXZDCGSUNC-UHFFFAOYSA-N 0 2 387.505 3.123 20 0 GGADLN CC(C)(C)OC(=O)NC[C@H](NC(=O)c1cc(F)c(O)c(F)c1)C1CCCC1 ZINC000193006438 1432921236 /nfs/dbraw/zinc/92/12/36/1432921236.db2.gz JURNXDUZAXDJOJ-HNNXBMFYSA-N 0 2 384.423 3.484 20 0 GGADLN 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UZBQVILVECUSME-LJQANCHMSA-N 0 2 386.463 3.228 20 0 GGADLN CC(C)Oc1ccccc1C[N@@H+]1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000824334549 1441943830 /nfs/dbraw/zinc/94/38/30/1441943830.db2.gz XNSSVGYVCZQKPI-HXUWFJFHSA-N 0 2 379.464 3.227 20 0 GGADLN CC(C)Oc1ccccc1C[N@H+]1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000824334549 1441943832 /nfs/dbraw/zinc/94/38/32/1441943832.db2.gz XNSSVGYVCZQKPI-HXUWFJFHSA-N 0 2 379.464 3.227 20 0 GGADLN Cc1cc(C)c(-c2nnn[n-]2)c(N[C@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)n1 ZINC000737245821 1442082893 /nfs/dbraw/zinc/08/28/93/1442082893.db2.gz PZWFRGQEXNUMIT-AWEZNQCLSA-N 0 2 399.449 3.233 20 0 GGADLN Cc1cc(C)c(-c2nnn[n-]2)c(N[C@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)n1 ZINC000737245821 1442082895 /nfs/dbraw/zinc/08/28/95/1442082895.db2.gz PZWFRGQEXNUMIT-AWEZNQCLSA-N 0 2 399.449 3.233 20 0 GGADLN COc1ccc([C@@H](OC)[C@@H](C)Nc2[nH+]c3c(cc2-c2nnn[n-]2)CCCC3)cc1 ZINC000826189854 1442100462 /nfs/dbraw/zinc/10/04/62/1442100462.db2.gz HAWPSXAQTRMYIC-YJYMSZOUSA-N 0 2 394.479 3.337 20 0 GGADLN CN(C)c1ccc([NH+]2CCC(Nc3ccc(-c4nnn[n-]4)cc3F)CC2)cc1 ZINC000821589619 1442460566 /nfs/dbraw/zinc/46/05/66/1442460566.db2.gz WFROHLIROAENHU-UHFFFAOYSA-N 0 2 381.459 3.153 20 0 GGADLN Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000826250619 1443306436 /nfs/dbraw/zinc/30/64/36/1443306436.db2.gz JIEOHDHGLAQFCJ-LBPRGKRZSA-N 0 2 397.508 3.116 20 0 GGADLN Cc1cc(-c2nnn[n-]2)ccc1C(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000826250619 1443306440 /nfs/dbraw/zinc/30/64/40/1443306440.db2.gz JIEOHDHGLAQFCJ-LBPRGKRZSA-N 0 2 397.508 3.116 20 0 GGADLN Cc1nn(-c2ccccc2)c(C[N@@H+]2CCc3ccc(F)cc3C2)c1-c1nnn[n-]1 ZINC000826331943 1443331411 /nfs/dbraw/zinc/33/14/11/1443331411.db2.gz FAYQQTLNTFQXDL-UHFFFAOYSA-N 0 2 389.438 3.058 20 0 GGADLN Cc1nn(-c2ccccc2)c(C[N@H+]2CCc3ccc(F)cc3C2)c1-c1nnn[n-]1 ZINC000826331943 1443331419 /nfs/dbraw/zinc/33/14/19/1443331419.db2.gz FAYQQTLNTFQXDL-UHFFFAOYSA-N 0 2 389.438 3.058 20 0 GGADLN COc1c(C)c[nH+]c(CSc2nc3c(c(C)c2-c2nnn[n-]2)CCC3)c1C ZINC000737025771 1443397646 /nfs/dbraw/zinc/39/76/46/1443397646.db2.gz MRMGVGAREBJYJV-UHFFFAOYSA-N 0 2 382.493 3.372 20 0 GGADLN CC(C)c1ccc([C@@H](C)CC(=O)NCCNc2ccc(-c3nnn[n-]3)c[nH+]2)cc1 ZINC000735922080 1443409264 /nfs/dbraw/zinc/40/92/64/1443409264.db2.gz BOSRPVRINUYJTA-HNNXBMFYSA-N 0 2 393.495 3.107 20 0 GGADLN C[C@@H](C[C@@H](O)c1ccc(F)cc1)Nc1[nH+]c2c(cc1-c1nnn[n-]1)CCCC2 ZINC000824390801 1443421597 /nfs/dbraw/zinc/42/15/97/1443421597.db2.gz DQECBIOEFDZRDV-KPZWWZAWSA-N 0 2 382.443 3.204 20 0 GGADLN FC(F)(F)c1cc(NC2CCN(c3cccc[nH+]3)CC2)ccc1-c1nnn[n-]1 ZINC000737632589 1443491058 /nfs/dbraw/zinc/49/10/58/1443491058.db2.gz LNUWXGBRXAHFEX-UHFFFAOYSA-N 0 2 389.385 3.361 20 0 GGADLN Fc1ccc(Cl)c2c1ncc(-c1nnn[n-]1)c2N1CCC(n2cc[nH+]c2)CC1 ZINC000737660858 1443515401 /nfs/dbraw/zinc/51/54/01/1443515401.db2.gz SWVIAARBAGHEAW-UHFFFAOYSA-N 0 2 398.833 3.245 20 0 GGADLN CCc1ccc(-c2noc(C[NH2+][C@@H](C)c3cccc(-c4nnn[n-]4)c3)n2)cc1 ZINC000825700839 1443584054 /nfs/dbraw/zinc/58/40/54/1443584054.db2.gz VPMDFLUMBMFSDP-ZDUSSCGKSA-N 0 2 375.436 3.330 20 0 GGADLN CC(C)C[N@H+](Cc1nnc(C2CC2)n1C1CC1)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000824261805 1443663702 /nfs/dbraw/zinc/66/37/02/1443663702.db2.gz QSNYABOPMIWXCM-UHFFFAOYSA-N 0 2 392.511 3.329 20 0 GGADLN CC(C)C[N@@H+](Cc1nnc(C2CC2)n1C1CC1)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000824261805 1443663704 /nfs/dbraw/zinc/66/37/04/1443663704.db2.gz QSNYABOPMIWXCM-UHFFFAOYSA-N 0 2 392.511 3.329 20 0 GGADLN CC(C)CCn1cccc1C[N@@H+]1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000824249425 1443710496 /nfs/dbraw/zinc/71/04/96/1443710496.db2.gz NJXRZHRDSRTYMI-FQEVSTJZSA-N 0 2 380.496 3.288 20 0 GGADLN CC(C)CCn1cccc1C[N@H+]1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000824249425 1443710499 /nfs/dbraw/zinc/71/04/99/1443710499.db2.gz NJXRZHRDSRTYMI-FQEVSTJZSA-N 0 2 380.496 3.288 20 0 GGADLN Cc1cc[nH+]c(NC[C@@](O)(c2ccc(Cl)cc2)C(F)(F)F)c1-c1nnn[n-]1 ZINC000826313249 1443712477 /nfs/dbraw/zinc/71/24/77/1443712477.db2.gz ZJXOTYFEBFPCIR-OAHLLOKOSA-N 0 2 398.776 3.086 20 0 GGADLN Fc1cccc(OC(F)F)c1CNc1[nH+]c2c(cc1-c1nnn[n-]1)CCC2 ZINC000822791930 1443754984 /nfs/dbraw/zinc/75/49/84/1443754984.db2.gz NMPJKUPSVQUSMU-UHFFFAOYSA-N 0 2 376.342 3.103 20 0 GGADLN C[C@H](NC(=O)Nc1ccc(N2CCCCC2)[nH+]c1)c1cccc(-c2nnn[n-]2)c1 ZINC000820380705 1443767699 /nfs/dbraw/zinc/76/76/99/1443767699.db2.gz YZECBQLMEVXQEJ-AWEZNQCLSA-N 0 2 392.467 3.135 20 0 GGADLN C[N@H+](CC(=O)Nc1ccc(Cl)c(Cl)c1)Cc1ccc(-c2nnn[n-]2)s1 ZINC000825893014 1443773648 /nfs/dbraw/zinc/77/36/48/1443773648.db2.gz ZCLWDIVJYBDTFU-UHFFFAOYSA-N 0 2 397.291 3.306 20 0 GGADLN C[N@@H+](CC(=O)Nc1ccc(Cl)c(Cl)c1)Cc1ccc(-c2nnn[n-]2)s1 ZINC000825893014 1443773650 /nfs/dbraw/zinc/77/36/50/1443773650.db2.gz ZCLWDIVJYBDTFU-UHFFFAOYSA-N 0 2 397.291 3.306 20 0 GGADLN Cc1c(Cl)cnc(NC[C@H](c2c(F)cccc2F)[NH+](C)C)c1-c1nnn[n-]1 ZINC000826239904 1443874283 /nfs/dbraw/zinc/87/42/83/1443874283.db2.gz UPXQFXNIHDSONJ-CYBMUJFWSA-N 0 2 393.829 3.217 20 0 GGADLN Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)c2ccc(-c3nnn[n-]3)cc2C)cc1 ZINC000826246481 1443955828 /nfs/dbraw/zinc/95/58/28/1443955828.db2.gz DZDPTYNVKWLNGR-AWEZNQCLSA-N 0 2 387.447 3.160 20 0 GGADLN COc1ccc(-c2nnn[n-]2)cc1C[N@@H+]1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000826183011 1444015905 /nfs/dbraw/zinc/01/59/05/1444015905.db2.gz AYUAXAUSSNDJGD-GOSISDBHSA-N 0 2 385.855 3.102 20 0 GGADLN COc1ccc(-c2nnn[n-]2)cc1C[N@H+]1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000826183011 1444015908 /nfs/dbraw/zinc/01/59/08/1444015908.db2.gz AYUAXAUSSNDJGD-GOSISDBHSA-N 0 2 385.855 3.102 20 0 GGADLN Cc1sc2nc([C@H](C)[NH2+][C@@H](C)c3ccc(-c4nnn[n-]4)cc3)nc(N)c2c1C ZINC000826350490 1446082836 /nfs/dbraw/zinc/08/28/36/1446082836.db2.gz YPIHONDDFFASBR-QWRGUYRKSA-N 0 2 394.508 3.482 20 0 GGADLN CC(C)c1nc(C[NH+]2CCC(Oc3ccc(-c4nnn[n-]4)cc3)CC2)cs1 ZINC000735940584 1446127219 /nfs/dbraw/zinc/12/72/19/1446127219.db2.gz RGXLNWJHBRBPTB-UHFFFAOYSA-N 0 2 384.509 3.490 20 0 GGADLN C[C@H]1C[N@H+](CCCOc2ccc(-c3nnn[n-]3)cc2)C[C@H](c2ccsc2)O1 ZINC000820761012 1446392981 /nfs/dbraw/zinc/39/29/81/1446392981.db2.gz VKXGZLCCHPLJPT-KBXCAEBGSA-N 0 2 385.493 3.159 20 0 GGADLN C[C@H]1C[N@@H+](CCCOc2ccc(-c3nnn[n-]3)cc2)C[C@H](c2ccsc2)O1 ZINC000820761012 1446392985 /nfs/dbraw/zinc/39/29/85/1446392985.db2.gz VKXGZLCCHPLJPT-KBXCAEBGSA-N 0 2 385.493 3.159 20 0 GGADLN C[C@H](C(=O)Nc1nc(-c2cccc(-c3nnn[n-]3)c2)cs1)[NH+]1CCCCCC1 ZINC000824045212 1446419767 /nfs/dbraw/zinc/41/97/67/1446419767.db2.gz JECHYLCKNWXGIR-CYBMUJFWSA-N 0 2 397.508 3.193 20 0 GGADLN Cc1cc[nH+]c(NCC2(C)CCN(C(=O)OC(C)(C)C)CC2)c1-c1nnn[n-]1 ZINC000826313956 1446452410 /nfs/dbraw/zinc/45/24/10/1446452410.db2.gz ZNGNSPKPBOEBAI-UHFFFAOYSA-N 0 2 387.488 3.019 20 0 GGADLN C[C@H]([NH2+]Cc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1)c1ccc(Cl)cc1 ZINC000820438757 1446513723 /nfs/dbraw/zinc/51/37/23/1446513723.db2.gz WFDDHHMCVSBOQU-NSHDSACASA-N 0 2 381.827 3.421 20 0 GGADLN Cc1sc(NC(=O)C[N@@H+]2CCc3ccccc3[C@H]2C)c(-c2nnn[n-]2)c1C ZINC000822563946 1446521410 /nfs/dbraw/zinc/52/14/10/1446521410.db2.gz RNGSXLSKPKTUHQ-GFCCVEGCSA-N 0 2 382.493 3.103 20 0 GGADLN Cc1sc(NC(=O)C[N@H+]2CCc3ccccc3[C@H]2C)c(-c2nnn[n-]2)c1C ZINC000822563946 1446521414 /nfs/dbraw/zinc/52/14/14/1446521414.db2.gz RNGSXLSKPKTUHQ-GFCCVEGCSA-N 0 2 382.493 3.103 20 0 GGADLN C[C@H]([NH2+]Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1)c1cccc(Cl)c1 ZINC000824633958 1446541789 /nfs/dbraw/zinc/54/17/89/1446541789.db2.gz SBKDXQCZXQBFMU-NSHDSACASA-N 0 2 381.827 3.421 20 0 GGADLN FC(F)(F)c1csc([C@H]2CCCN(c3[nH+]cccc3-c3nnn[n-]3)C2)n1 ZINC000822728718 1446615350 /nfs/dbraw/zinc/61/53/50/1446615350.db2.gz KRTREKGYBQHVMG-VIFPVBQESA-N 0 2 381.387 3.121 20 0 GGADLN O[C@@H](CNc1[nH+]c2c(cc1-c1nnn[n-]1)CCC2)c1cc(Cl)cc(Cl)c1 ZINC000738384578 1446655476 /nfs/dbraw/zinc/65/54/76/1446655476.db2.gz TZFPRHXRNBHMPC-HNNXBMFYSA-N 0 2 391.262 3.203 20 0 GGADLN Cc1ccc([C@H](C)[NH2+]Cc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)cc1F ZINC000826283492 1446683517 /nfs/dbraw/zinc/68/35/17/1446683517.db2.gz SDLSBYXTBGSEKV-LBPRGKRZSA-N 0 2 379.399 3.215 20 0 GGADLN C[N@H+](Cc1ccc(F)c(-c2nnn[n-]2)c1)Cc1ccccc1Br ZINC000821610981 1446759411 /nfs/dbraw/zinc/75/94/11/1446759411.db2.gz MOYGJBSFXKGIMT-UHFFFAOYSA-N 0 2 376.233 3.400 20 0 GGADLN C[N@@H+](Cc1ccc(F)c(-c2nnn[n-]2)c1)Cc1ccccc1Br ZINC000821610981 1446759415 /nfs/dbraw/zinc/75/94/15/1446759415.db2.gz MOYGJBSFXKGIMT-UHFFFAOYSA-N 0 2 376.233 3.400 20 0 GGADLN C[C@H]([NH2+]Cc1ccc(-c2nnn[n-]2)cc1F)c1nc2ccc(Cl)cc2n1C ZINC000824613594 1446789847 /nfs/dbraw/zinc/78/98/47/1446789847.db2.gz VLZAQZQKVZCJCF-JTQLQIEISA-N 0 2 385.834 3.397 20 0 GGADLN C[C@H](c1cccc(F)c1)[NH+]1CCN(Cc2ccc(-c3nnn[n-]3)cc2F)CC1 ZINC000824770037 1446813001 /nfs/dbraw/zinc/81/30/01/1446813001.db2.gz CUBXHSUNYTWWSC-CQSZACIVSA-N 0 2 384.434 3.024 20 0 GGADLN C[C@@H](Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1)c1cccc(-c2nnn[n-]2)c1 ZINC000824993021 1446819134 /nfs/dbraw/zinc/81/91/34/1446819134.db2.gz OPXDYOHXYCHJOT-QLFBSQMISA-N 0 2 379.468 3.048 20 0 GGADLN Cc1cc([C@@H]2C[N@H+](CCCOc3cccc(-c4nnn[n-]4)c3)CCO2)ccc1F ZINC000826266350 1446939105 /nfs/dbraw/zinc/93/91/05/1446939105.db2.gz MCVRDBSUCNNZRV-FQEVSTJZSA-N 0 2 397.454 3.157 20 0 GGADLN Cc1cc([C@@H]2C[N@@H+](CCCOc3cccc(-c4nnn[n-]4)c3)CCO2)ccc1F ZINC000826266350 1446939106 /nfs/dbraw/zinc/93/91/06/1446939106.db2.gz MCVRDBSUCNNZRV-FQEVSTJZSA-N 0 2 397.454 3.157 20 0 GGADLN Cc1ccc(-c2nnn[n-]2)c(NCc2ccc(NC(=O)c3ccco3)cc2)[nH+]1 ZINC000826276363 1447136465 /nfs/dbraw/zinc/13/64/65/1447136465.db2.gz CEYRMKJQTWODOL-UHFFFAOYSA-N 0 2 375.392 3.028 20 0 GGADLN Fc1cc(C[NH+]2CCC(Oc3cccc(-c4nnn[n-]4)c3)CC2)cc(F)c1F ZINC000826372081 1447176831 /nfs/dbraw/zinc/17/68/31/1447176831.db2.gz GUWZDGLRSHIZCP-UHFFFAOYSA-N 0 2 389.381 3.327 20 0 GGADLN CCC[N@H+](Cc1nnc(-c2ccccc2)n1C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000821105045 1447200634 /nfs/dbraw/zinc/20/06/34/1447200634.db2.gz WHVLITFRFDHPQM-UHFFFAOYSA-N 0 2 388.479 3.074 20 0 GGADLN CCC[N@@H+](Cc1nnc(-c2ccccc2)n1C)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000821105045 1447200642 /nfs/dbraw/zinc/20/06/42/1447200642.db2.gz WHVLITFRFDHPQM-UHFFFAOYSA-N 0 2 388.479 3.074 20 0 GGADLN Cc1cc[nH+]c(N[C@@H](C)[C@H](O)c2c(Cl)cccc2Cl)c1-c1nnn[n-]1 ZINC000826311578 1449304599 /nfs/dbraw/zinc/30/45/99/1449304599.db2.gz IRBGCWZQHZKKEW-XPTSAGLGSA-N 0 2 379.251 3.411 20 0 GGADLN COc1ccccc1-c1noc([C@@H](C)[NH2+][C@H](C)c2ccc(-c3nnn[n-]3)cc2)n1 ZINC000821883211 1449365070 /nfs/dbraw/zinc/36/50/70/1449365070.db2.gz SHGWBDQXJQLQTO-CHWSQXEVSA-N 0 2 391.435 3.337 20 0 GGADLN Fc1ccc(C2([NH2+]Cc3nnc(-c4ccc(-c5nnn[n-]5)cc4)o3)CCC2)cc1 ZINC000822767259 1449367996 /nfs/dbraw/zinc/36/79/96/1449367996.db2.gz ZLVQKHQKYGTYMX-UHFFFAOYSA-N 0 2 391.410 3.225 20 0 GGADLN Clc1cccc(NC[C@H](c2cccs2)[NH+]2CCOCC2)c1-c1nnn[n-]1 ZINC000822585517 1449504868 /nfs/dbraw/zinc/50/48/68/1449504868.db2.gz BSPGYCHFZBFXGN-CQSZACIVSA-N 0 2 390.900 3.067 20 0 GGADLN Cc1ccc(-c2nnn[n-]2)c(NCC2(c3ccc(Cl)cc3)CCOCC2)[nH+]1 ZINC000826275566 1449770969 /nfs/dbraw/zinc/77/09/69/1449770969.db2.gz DEPGVOGMIQQOOQ-UHFFFAOYSA-N 0 2 384.871 3.384 20 0 GGADLN C[C@@H]([NH2+][C@@H](c1nccn1C)c1ccc(F)cc1)c1cccc(-c2nnn[n-]2)c1 ZINC000824537247 1449795525 /nfs/dbraw/zinc/79/55/25/1449795525.db2.gz CQAZLRMFRFYUSN-FZKQIMNGSA-N 0 2 377.427 3.180 20 0 GGADLN Cc1cccc(Cl)c1NC(=O)C[N@H+](Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000826298551 1449950255 /nfs/dbraw/zinc/95/02/55/1449950255.db2.gz YGOVXZLMBZABFC-UHFFFAOYSA-N 0 2 396.882 3.432 20 0 GGADLN Cc1cccc(Cl)c1NC(=O)C[N@@H+](Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000826298551 1449950258 /nfs/dbraw/zinc/95/02/58/1449950258.db2.gz YGOVXZLMBZABFC-UHFFFAOYSA-N 0 2 396.882 3.432 20 0 GGADLN Cc1cc(C)cc([C@@H](C)[NH2+]Cc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)c1 ZINC000826264515 1449983076 /nfs/dbraw/zinc/98/30/76/1449983076.db2.gz RBPNWBRITGJGLX-CQSZACIVSA-N 0 2 375.436 3.384 20 0 GGADLN FC(F)(F)c1ccc([C@H]2C[N@H+](Cc3ccc(-c4nnn[n-]4)o3)CCO2)cc1 ZINC000826368683 1450118353 /nfs/dbraw/zinc/11/83/53/1450118353.db2.gz YQPMBRGHUHJZEE-OAHLLOKOSA-N 0 2 379.342 3.052 20 0 GGADLN FC(F)(F)c1ccc([C@H]2C[N@@H+](Cc3ccc(-c4nnn[n-]4)o3)CCO2)cc1 ZINC000826368683 1450118357 /nfs/dbraw/zinc/11/83/57/1450118357.db2.gz YQPMBRGHUHJZEE-OAHLLOKOSA-N 0 2 379.342 3.052 20 0 GGADLN Fc1ccc(N2CC[NH+](Cc3cc(-c4nnn[n-]4)cs3)CC2)c(Cl)c1 ZINC000826375397 1450181308 /nfs/dbraw/zinc/18/13/08/1450181308.db2.gz MCUGEXQMMFQQIO-UHFFFAOYSA-N 0 2 378.864 3.043 20 0 GGADLN Cc1cc[nH+]c(NCc2cccc(NC(=O)c3ccccc3)c2)c1-c1nnn[n-]1 ZINC000826314284 1450192087 /nfs/dbraw/zinc/19/20/87/1450192087.db2.gz OVIMFTPKUZTSNL-UHFFFAOYSA-N 0 2 385.431 3.435 20 0 GGADLN Cc1nn(C)c(Cl)c1[C@H]1CCC[N@@H+]1Cc1cc(-c2nnn[n-]2)ccc1F ZINC000737512514 1450204824 /nfs/dbraw/zinc/20/48/24/1450204824.db2.gz WMBLWNTZPVKWOJ-CQSZACIVSA-N 0 2 375.839 3.038 20 0 GGADLN Cc1nn(C)c(Cl)c1[C@H]1CCC[N@H+]1Cc1cc(-c2nnn[n-]2)ccc1F ZINC000737512514 1450204828 /nfs/dbraw/zinc/20/48/28/1450204828.db2.gz WMBLWNTZPVKWOJ-CQSZACIVSA-N 0 2 375.839 3.038 20 0 GGADLN c1nc([C@H]2CCCO2)sc1C[N@H+](Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000826513325 1450311726 /nfs/dbraw/zinc/31/17/26/1450311726.db2.gz IMVKRCZVXHPPEM-QGZVFWFLSA-N 0 2 382.493 3.339 20 0 GGADLN c1nc([C@H]2CCCO2)sc1C[N@@H+](Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000826513325 1450311731 /nfs/dbraw/zinc/31/17/31/1450311731.db2.gz IMVKRCZVXHPPEM-QGZVFWFLSA-N 0 2 382.493 3.339 20 0 GGADLN CCOc1ccc(CNc2[nH+]c3c(cc2-c2nnn[n-]2)CCCC3)cc1OC ZINC000825638279 1450356633 /nfs/dbraw/zinc/35/66/33/1450356633.db2.gz IVJVRSKCXPBWRO-UHFFFAOYSA-N 0 2 380.452 3.160 20 0 GGADLN FC(F)(F)c1ccccc1[C@@H]1C[N@H+](Cc2ccccc2-c2nnn[n-]2)CCO1 ZINC000826368864 1450369342 /nfs/dbraw/zinc/36/93/42/1450369342.db2.gz DFXGKKMAOKWDIN-KRWDZBQOSA-N 0 2 389.381 3.459 20 0 GGADLN FC(F)(F)c1ccccc1[C@@H]1C[N@@H+](Cc2ccccc2-c2nnn[n-]2)CCO1 ZINC000826368864 1450369347 /nfs/dbraw/zinc/36/93/47/1450369347.db2.gz DFXGKKMAOKWDIN-KRWDZBQOSA-N 0 2 389.381 3.459 20 0 GGADLN Cc1cc[nH+]c(N[C@H]2CCCC[C@H]2CNC(=O)OC(C)(C)C)c1-c1nnn[n-]1 ZINC000826313084 1450393747 /nfs/dbraw/zinc/39/37/47/1450393747.db2.gz WADJDYGLEIIOFL-KBPBESRZSA-N 0 2 387.488 3.066 20 0 GGADLN COc1ccccc1[C@@H]([NH2+]Cc1ccc(-c2nnn[n-]2)s1)c1ccccn1 ZINC000826219187 1450403421 /nfs/dbraw/zinc/40/34/21/1450403421.db2.gz VLNNQKJLAUZXLL-GOSISDBHSA-N 0 2 378.461 3.211 20 0 GGADLN CC[N@H+](CC(=O)N[C@H](C(=O)[O-])c1ccc(F)cc1)Cc1ccccc1Cl ZINC000902862009 939291913 /nfs/dbraw/zinc/29/19/13/939291913.db2.gz DFNOAMNKGUAVNV-SFHVURJKSA-N 0 2 378.831 3.243 20 0 GGADLN CC[N@@H+](CC(=O)N[C@H](C(=O)[O-])c1ccc(F)cc1)Cc1ccccc1Cl ZINC000902862009 939291916 /nfs/dbraw/zinc/29/19/16/939291916.db2.gz DFNOAMNKGUAVNV-SFHVURJKSA-N 0 2 378.831 3.243 20 0 GGADLN CC[N@H+](CC(=O)N[C@@H](C(=O)[O-])c1cc(F)ccc1F)Cc1ccccc1Cl ZINC000908919583 939352295 /nfs/dbraw/zinc/35/22/95/939352295.db2.gz IRYGRBOZBFXWGB-GOSISDBHSA-N 0 2 396.821 3.382 20 0 GGADLN CC[N@@H+](CC(=O)N[C@@H](C(=O)[O-])c1cc(F)ccc1F)Cc1ccccc1Cl ZINC000908919583 939352300 /nfs/dbraw/zinc/35/23/00/939352300.db2.gz IRYGRBOZBFXWGB-GOSISDBHSA-N 0 2 396.821 3.382 20 0 GGADLN CC[N@H+](CC(=O)N[C@@H](C(=O)[O-])c1ccc(OC)cc1)Cc1ccccc1Cl ZINC000909328934 939395776 /nfs/dbraw/zinc/39/57/76/939395776.db2.gz NSJRIGLJCMDUCM-LJQANCHMSA-N 0 2 390.867 3.113 20 0 GGADLN CC[N@@H+](CC(=O)N[C@@H](C(=O)[O-])c1ccc(OC)cc1)Cc1ccccc1Cl ZINC000909328934 939395781 /nfs/dbraw/zinc/39/57/81/939395781.db2.gz NSJRIGLJCMDUCM-LJQANCHMSA-N 0 2 390.867 3.113 20 0 GGADLN O=C([O-])[C@@H](C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1)C1CCCC1 ZINC000663084177 939853533 /nfs/dbraw/zinc/85/35/33/939853533.db2.gz HILXKUVWNAMTOC-SJLPKXTDSA-N 0 2 396.890 3.451 20 0 GGADLN O=C([O-])[C@@H](C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1)C1CCCC1 ZINC000663084177 939853535 /nfs/dbraw/zinc/85/35/35/939853535.db2.gz HILXKUVWNAMTOC-SJLPKXTDSA-N 0 2 396.890 3.451 20 0 GGADLN O=C([O-])[C@H]1CCCCC[N@@H+]1Cc1nnc(-c2ccccc2Br)o1 ZINC000321581367 970784755 /nfs/dbraw/zinc/78/47/55/970784755.db2.gz IVBWHECSMCOYEF-CYBMUJFWSA-N 0 2 380.242 3.328 20 0 GGADLN O=C([O-])[C@H]1CCCCC[N@H+]1Cc1nnc(-c2ccccc2Br)o1 ZINC000321581367 970784760 /nfs/dbraw/zinc/78/47/60/970784760.db2.gz IVBWHECSMCOYEF-CYBMUJFWSA-N 0 2 380.242 3.328 20 0 GGADLN O=C([O-])[C@@H]1CCCCC[N@@H+]1Cc1nnc(-c2ccccc2Br)o1 ZINC000321581370 970784859 /nfs/dbraw/zinc/78/48/59/970784859.db2.gz IVBWHECSMCOYEF-ZDUSSCGKSA-N 0 2 380.242 3.328 20 0 GGADLN O=C([O-])[C@@H]1CCCCC[N@H+]1Cc1nnc(-c2ccccc2Br)o1 ZINC000321581370 970784864 /nfs/dbraw/zinc/78/48/64/970784864.db2.gz IVBWHECSMCOYEF-ZDUSSCGKSA-N 0 2 380.242 3.328 20 0 GGADLN Cc1ccc(NC(=O)C[NH2+][C@](C)(C(=O)[O-])c2ccccc2)c(Br)c1 ZINC001600448658 970810155 /nfs/dbraw/zinc/81/01/55/970810155.db2.gz LMVHQQJUQUINJC-SFHVURJKSA-N 0 2 391.265 3.286 20 0 GGADLN CC[C@H](NC(=O)C[NH2+][C@H](C(=O)[O-])c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC001589564766 948846250 /nfs/dbraw/zinc/84/62/50/948846250.db2.gz LHAYNYBSJGODJW-WMZOPIPTSA-N 0 2 378.831 3.462 20 0 GGADLN CC[C@@H](NC(=O)C[NH2+][C@@H](C(=O)[O-])c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC001589564765 948847276 /nfs/dbraw/zinc/84/72/76/948847276.db2.gz LHAYNYBSJGODJW-SJLPKXTDSA-N 0 2 378.831 3.462 20 0 GGADLN CC[C@]1(C(=O)[O-])CCCN(C(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)C1 ZINC001589593729 949118871 /nfs/dbraw/zinc/11/88/71/949118871.db2.gz GDEFJXTVUOPQGH-IBGZPJMESA-N 0 2 390.871 3.312 20 0 GGADLN O=C([O-])c1ccc(C[N@@H+]2CCCC[C@H]2c2nnc(C3CCOCC3)o2)s1 ZINC001595227433 949319066 /nfs/dbraw/zinc/31/90/66/949319066.db2.gz HSANQHNUJPFZCP-AWEZNQCLSA-N 0 2 377.466 3.451 20 0 GGADLN O=C([O-])c1ccc(C[N@H+]2CCCC[C@H]2c2nnc(C3CCOCC3)o2)s1 ZINC001595227433 949319087 /nfs/dbraw/zinc/31/90/87/949319087.db2.gz HSANQHNUJPFZCP-AWEZNQCLSA-N 0 2 377.466 3.451 20 0 GGADLN CC[N@@H+]1CCc2nc3ccccc3c(C(=O)Nc3ccc(O)c(C(=O)[O-])c3)c2C1 ZINC000170580364 949484149 /nfs/dbraw/zinc/48/41/49/949484149.db2.gz XRDIAEDMMDRUML-UHFFFAOYSA-N 0 2 391.427 3.269 20 0 GGADLN CC[N@H+]1CCc2nc3ccccc3c(C(=O)Nc3ccc(O)c(C(=O)[O-])c3)c2C1 ZINC000170580364 949484169 /nfs/dbraw/zinc/48/41/69/949484169.db2.gz XRDIAEDMMDRUML-UHFFFAOYSA-N 0 2 391.427 3.269 20 0 GGADLN O=C([O-])[C@@H]1CCCC[N@@H+]1CC(=O)N1CCc2sccc2[C@H]1c1ccccc1 ZINC000262237356 950094493 /nfs/dbraw/zinc/09/44/93/950094493.db2.gz ASNUIVZBKLNAMZ-FXAWDEMLSA-N 0 2 384.501 3.161 20 0 GGADLN O=C([O-])[C@@H]1CCCC[N@H+]1CC(=O)N1CCc2sccc2[C@H]1c1ccccc1 ZINC000262237356 950094513 /nfs/dbraw/zinc/09/45/13/950094513.db2.gz ASNUIVZBKLNAMZ-FXAWDEMLSA-N 0 2 384.501 3.161 20 0 GGADLN C[C@@H](C(=O)[O-])[N@H+](CC(=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1)C1CC1 ZINC000263046848 950232330 /nfs/dbraw/zinc/23/23/30/950232330.db2.gz DBFZGZLZWZQBBZ-LBPRGKRZSA-N 0 2 384.398 3.134 20 0 GGADLN C[C@@H](C(=O)[O-])[N@@H+](CC(=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1)C1CC1 ZINC000263046848 950232347 /nfs/dbraw/zinc/23/23/47/950232347.db2.gz DBFZGZLZWZQBBZ-LBPRGKRZSA-N 0 2 384.398 3.134 20 0 GGADLN COc1cc2c(cc1NC(=O)C[N@H+]([C@@H](C)C(=O)[O-])C1CC1)oc1ccccc12 ZINC000263066722 950242524 /nfs/dbraw/zinc/24/25/24/950242524.db2.gz GFPTUCWMKQBFJW-LBPRGKRZSA-N 0 2 382.416 3.471 20 0 GGADLN COc1cc2c(cc1NC(=O)C[N@@H+]([C@@H](C)C(=O)[O-])C1CC1)oc1ccccc12 ZINC000263066722 950242547 /nfs/dbraw/zinc/24/25/47/950242547.db2.gz GFPTUCWMKQBFJW-LBPRGKRZSA-N 0 2 382.416 3.471 20 0 GGADLN C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)C1 ZINC000263196714 950321446 /nfs/dbraw/zinc/32/14/46/950321446.db2.gz WPCPEENBPPMDDF-ZBFHGGJFSA-N 0 2 380.448 3.176 20 0 GGADLN CCOc1ccccc1C[N@@H+]1CCN(C(=O)c2cccc(C(=O)[O-])c2)[C@H](C)C1 ZINC000263397917 950437021 /nfs/dbraw/zinc/43/70/21/950437021.db2.gz FVMVXXSAZLRMSC-MRXNPFEDSA-N 0 2 382.460 3.130 20 0 GGADLN CCOc1ccccc1C[N@H+]1CCN(C(=O)c2cccc(C(=O)[O-])c2)[C@H](C)C1 ZINC000263397917 950437050 /nfs/dbraw/zinc/43/70/50/950437050.db2.gz FVMVXXSAZLRMSC-MRXNPFEDSA-N 0 2 382.460 3.130 20 0 GGADLN O=C([O-])CC[C@H]1Cc2ccccc2N(C(=O)c2cc(-n3cc[nH+]c3)ccc2O)C1 ZINC001595025013 951337263 /nfs/dbraw/zinc/33/72/63/951337263.db2.gz WMDTWZSCWSCWLK-HNNXBMFYSA-N 0 2 391.427 3.262 20 0 GGADLN CCOc1ccccc1[C@@H](CC)NC(=O)C[NH2+][C@H](C(=O)[O-])c1cccc(C)c1 ZINC001593042316 951385809 /nfs/dbraw/zinc/38/58/09/951385809.db2.gz BAUYPKKXWMAXRZ-NQIIRXRSSA-N 0 2 384.476 3.377 20 0 GGADLN CCOc1ccccc1[C@@H](CC)NC(=O)C[NH2+][C@@](C)(C(=O)[O-])c1ccccc1 ZINC001593043453 951390426 /nfs/dbraw/zinc/39/04/26/951390426.db2.gz XTFARCIXGLQDCE-XMSQKQJNSA-N 0 2 384.476 3.242 20 0 GGADLN CCOc1ccccc1[C@H](CC)NC(=O)C[NH2+][C@](C)(C(=O)[O-])c1ccccc1 ZINC001593043442 951390993 /nfs/dbraw/zinc/39/09/93/951390993.db2.gz XTFARCIXGLQDCE-AVRDEDQJSA-N 0 2 384.476 3.242 20 0 GGADLN O=C([O-])CCCC[NH2+]Cc1cc(Br)c(O)c(Br)c1 ZINC001595045900 951439802 /nfs/dbraw/zinc/43/98/02/951439802.db2.gz HYIDHOOZSRLURX-UHFFFAOYSA-N 0 2 381.064 3.262 20 0 GGADLN O=C([O-])CCc1cccc(NC(=O)NCc2ccccc2Cn2cc[nH+]c2)c1 ZINC001595067135 951563518 /nfs/dbraw/zinc/56/35/18/951563518.db2.gz XLSPTAFRQHLZCA-UHFFFAOYSA-N 0 2 378.432 3.270 20 0 GGADLN O=C([O-])Cc1cccc(NC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)c1 ZINC001595132107 952040297 /nfs/dbraw/zinc/04/02/97/952040297.db2.gz HFTYEXNUTXVMJI-UHFFFAOYSA-N 0 2 382.464 3.258 20 0 GGADLN C[C@H]1CCC[N@H+](CC(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)[C@H]1C(=O)[O-] ZINC000424273077 953449516 /nfs/dbraw/zinc/44/95/16/953449516.db2.gz VTHIAJDQIWQNTC-ORAYPTAESA-N 0 2 390.867 3.401 20 0 GGADLN C[C@H]1CCC[N@@H+](CC(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)[C@H]1C(=O)[O-] ZINC000424273077 953449524 /nfs/dbraw/zinc/44/95/24/953449524.db2.gz VTHIAJDQIWQNTC-ORAYPTAESA-N 0 2 390.867 3.401 20 0 GGADLN CCC(CC)(CNC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1)C(=O)[O-] ZINC000424401701 953467226 /nfs/dbraw/zinc/46/72/26/953467226.db2.gz BBZPBHADQMIEQK-ZWKOTPCHSA-N 0 2 384.480 3.302 20 0 GGADLN CCC(CC)(CNC(=O)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1)C(=O)[O-] ZINC000424401698 953467320 /nfs/dbraw/zinc/46/73/20/953467320.db2.gz BBZPBHADQMIEQK-MSOLQXFVSA-N 0 2 384.480 3.302 20 0 GGADLN Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)NC[C@H](CC(C)C)C(=O)[O-])c(C)c1 ZINC000424406040 953471588 /nfs/dbraw/zinc/47/15/88/953471588.db2.gz IVCIYOFYMAMMAT-HKUYNNGSSA-N 0 2 386.496 3.287 20 0 GGADLN Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)NC[C@@H](CC(C)C)C(=O)[O-])c(C)c1 ZINC000424406044 953472743 /nfs/dbraw/zinc/47/27/43/953472743.db2.gz IVCIYOFYMAMMAT-MJGOQNOKSA-N 0 2 386.496 3.287 20 0 GGADLN CCc1ccc([C@H](COC)[NH2+]Cc2ccc(N3CCC[C@@H](C(=O)[O-])C3)o2)o1 ZINC001593636576 953610967 /nfs/dbraw/zinc/61/09/67/953610967.db2.gz DXQNBMVDEIOMTL-PBHICJAKSA-N 0 2 376.453 3.213 20 0 GGADLN CCc1ccc([C@H](NC(=O)C[N@@H+]2CCC[C@@]2(C)C(=O)[O-])c2cccs2)cc1 ZINC001593637372 953618282 /nfs/dbraw/zinc/61/82/82/953618282.db2.gz VKHFXTUDEGPNIF-FPOVZHCZSA-N 0 2 386.517 3.455 20 0 GGADLN CCc1ccc([C@H](NC(=O)C[N@H+]2CCC[C@@]2(C)C(=O)[O-])c2cccs2)cc1 ZINC001593637372 953618288 /nfs/dbraw/zinc/61/82/88/953618288.db2.gz VKHFXTUDEGPNIF-FPOVZHCZSA-N 0 2 386.517 3.455 20 0 GGADLN C[C@@H](C(=O)[O-])C(=O)N1CC[NH+]([C@H](c2ccccc2)c2ccccc2Cl)CC1 ZINC000574637140 953680884 /nfs/dbraw/zinc/68/08/84/953680884.db2.gz CTOCGPAMEVWVJI-DNVCBOLYSA-N 0 2 386.879 3.294 20 0 GGADLN C[C@H]1CC[C@@H](C(=O)[O-])CN1C(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC001589306372 953745265 /nfs/dbraw/zinc/74/52/65/953745265.db2.gz UXASNPWWAHJDTO-GOEBONIOSA-N 0 2 380.448 3.319 20 0 GGADLN O=C([O-])c1ncccc1NC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2 ZINC001594811877 953836704 /nfs/dbraw/zinc/83/67/04/953836704.db2.gz OQYYKSHEAULBJR-UHFFFAOYSA-N 0 2 375.388 3.339 20 0 GGADLN O=C([O-])c1cncc(NC(=O)N[C@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)c1 ZINC001594816526 953865552 /nfs/dbraw/zinc/86/55/52/953865552.db2.gz LNUUDUCRNDMUIR-MSOLQXFVSA-N 0 2 377.404 3.027 20 0 GGADLN O=C([O-])[C@@H]([NH2+][C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)c1ccc(F)cc1 ZINC001594841682 954084494 /nfs/dbraw/zinc/08/44/94/954084494.db2.gz ARDUBHYLFZDGIS-CVEARBPZSA-N 0 2 380.778 3.139 20 0 GGADLN C[C@H]1CCc2c(sc3nc(C[NH2+][C@H](Cc4ccccc4)C(=O)[O-])nc(N)c32)C1 ZINC001589362912 954164053 /nfs/dbraw/zinc/16/40/53/954164053.db2.gz AURTZHQOWUHBBT-SWLSCSKDSA-N 0 2 396.516 3.184 20 0 GGADLN CC(C)[C@H](CNC(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1)C(=O)[O-] ZINC000655861508 954245565 /nfs/dbraw/zinc/24/55/65/954245565.db2.gz QMOOUSGWUZYEOA-BBRMVZONSA-N 0 2 399.894 3.272 20 0 GGADLN O=C([O-])C[N@H+](CC(=O)Nc1ccc(N2CCc3ccccc32)cc1)C1CCC1 ZINC000655933243 954292045 /nfs/dbraw/zinc/29/20/45/954292045.db2.gz FXESCXLCSBVZSJ-UHFFFAOYSA-N 0 2 379.460 3.258 20 0 GGADLN O=C([O-])C[N@@H+](CC(=O)Nc1ccc(N2CCc3ccccc32)cc1)C1CCC1 ZINC000655933243 954292054 /nfs/dbraw/zinc/29/20/54/954292054.db2.gz FXESCXLCSBVZSJ-UHFFFAOYSA-N 0 2 379.460 3.258 20 0 GGADLN CC[N@H+](Cc1nc(=O)c2sc(-c3ccc(F)cc3)cc2[nH]1)[C@@H](C)C(=O)[O-] ZINC000662216290 954385488 /nfs/dbraw/zinc/38/54/88/954385488.db2.gz OGDVOSRZNJYZKA-JTQLQIEISA-N 0 2 375.425 3.086 20 0 GGADLN CC[N@@H+](Cc1nc(=O)c2sc(-c3ccc(F)cc3)cc2[nH]1)[C@@H](C)C(=O)[O-] ZINC000662216290 954385500 /nfs/dbraw/zinc/38/55/00/954385500.db2.gz OGDVOSRZNJYZKA-JTQLQIEISA-N 0 2 375.425 3.086 20 0 GGADLN C[C@@H](C(=O)Nc1ccc(F)cc1Cl)[N@H+]1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000662221145 954388627 /nfs/dbraw/zinc/38/86/27/954388627.db2.gz CSBLZWYFNMGYKE-NHYWBVRUSA-N 0 2 376.815 3.490 20 0 GGADLN C[C@@H](C(=O)Nc1ccc(F)cc1Cl)[N@@H+]1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC000662221145 954388642 /nfs/dbraw/zinc/38/86/42/954388642.db2.gz CSBLZWYFNMGYKE-NHYWBVRUSA-N 0 2 376.815 3.490 20 0 GGADLN CC(C)(C)C[N@H+](CC(=O)[O-])CC(=O)Nc1ncc(Cc2ccc(F)cc2)s1 ZINC000662226788 954395533 /nfs/dbraw/zinc/39/55/33/954395533.db2.gz SRPXNNPZWWFTJY-UHFFFAOYSA-N 0 2 393.484 3.244 20 0 GGADLN CC(C)(C)C[N@@H+](CC(=O)[O-])CC(=O)Nc1ncc(Cc2ccc(F)cc2)s1 ZINC000662226788 954395544 /nfs/dbraw/zinc/39/55/44/954395544.db2.gz SRPXNNPZWWFTJY-UHFFFAOYSA-N 0 2 393.484 3.244 20 0 GGADLN C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)N[C@H](C(=O)[O-])c2ccccc2)C[C@H](C)O1 ZINC001589402135 954440731 /nfs/dbraw/zinc/44/07/31/954440731.db2.gz YUNOIZOIJBQTJF-YRNRMSPPSA-N 0 2 397.475 3.243 20 0 GGADLN C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)N[C@H](C(=O)[O-])c2ccccc2)C[C@H](C)O1 ZINC001589402135 954440738 /nfs/dbraw/zinc/44/07/38/954440738.db2.gz YUNOIZOIJBQTJF-YRNRMSPPSA-N 0 2 397.475 3.243 20 0 GGADLN CC(C)(C)[C@@H](C(=O)[O-])C(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000663083652 954461693 /nfs/dbraw/zinc/46/16/93/954461693.db2.gz CWAVAJMXSMJMME-GOEBONIOSA-N 0 2 384.879 3.307 20 0 GGADLN CC(C)(C)[C@@H](C(=O)[O-])C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000663083652 954461702 /nfs/dbraw/zinc/46/17/02/954461702.db2.gz CWAVAJMXSMJMME-GOEBONIOSA-N 0 2 384.879 3.307 20 0 GGADLN O=C([O-])C1(C(=O)NCc2ccccc2-c2ccc(Cn3cc[nH+]c3)cc2)CCC1 ZINC000663106238 954493862 /nfs/dbraw/zinc/49/38/62/954493862.db2.gz YQKISIUWQWMBJK-UHFFFAOYSA-N 0 2 389.455 3.470 20 0 GGADLN CC(C)(C)[C@H](C(=O)[O-])C(=O)Nc1nc2ccccc2n1CCCn1cc[nH+]c1 ZINC000663109394 954499022 /nfs/dbraw/zinc/49/90/22/954499022.db2.gz ZDCYKQCOVWBRFV-INIZCTEOSA-N 0 2 383.452 3.009 20 0 GGADLN CC(C)(C)[C@@H](C(=O)[O-])C(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000663116071 954510159 /nfs/dbraw/zinc/51/01/59/954510159.db2.gz YWAQZOVFPAWXDV-GDBMZVCRSA-N 0 2 384.879 3.479 20 0 GGADLN COCC[N@H+](CC(=O)[O-])Cc1cn(-c2ccccc2Cl)nc1C(C)(C)C ZINC000666579080 954563890 /nfs/dbraw/zinc/56/38/90/954563890.db2.gz YPTBDTYEGWSKLH-UHFFFAOYSA-N 0 2 379.888 3.356 20 0 GGADLN COCC[N@@H+](CC(=O)[O-])Cc1cn(-c2ccccc2Cl)nc1C(C)(C)C ZINC000666579080 954563898 /nfs/dbraw/zinc/56/38/98/954563898.db2.gz YPTBDTYEGWSKLH-UHFFFAOYSA-N 0 2 379.888 3.356 20 0 GGADLN O=C([O-])[C@@H]1CCCN(c2ccc(C[NH+]3CC(OCCCc4ccccc4)C3)o2)C1 ZINC001594915813 954750414 /nfs/dbraw/zinc/75/04/14/954750414.db2.gz LWVBVWXTPZRNEP-LJQANCHMSA-N 0 2 398.503 3.414 20 0 GGADLN O=C([O-])[C@@H]1CN(C(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)Cc2ccccc21 ZINC001594942435 954904054 /nfs/dbraw/zinc/90/40/54/954904054.db2.gz IVZADKFZWCEARZ-RBUKOAKNSA-N 0 2 375.428 3.142 20 0 GGADLN O=C([O-])[C@@H]1C[N@H+](Cc2nc(-c3cc(F)c(F)c(F)c3)no2)Cc2ccccc21 ZINC001594954940 954983521 /nfs/dbraw/zinc/98/35/21/954983521.db2.gz JRJLQGNQPWJHHP-CYBMUJFWSA-N 0 2 389.333 3.338 20 0 GGADLN O=C([O-])[C@@H]1C[N@@H+](Cc2nc(-c3cc(F)c(F)c(F)c3)no2)Cc2ccccc21 ZINC001594954940 954983531 /nfs/dbraw/zinc/98/35/31/954983531.db2.gz JRJLQGNQPWJHHP-CYBMUJFWSA-N 0 2 389.333 3.338 20 0 GGADLN O=C([O-])C=Cc1cc(C(=O)N[C@@H]2CCc3[nH+]c(C4CCCCC4)[nH]c3C2)co1 ZINC001594970041 955100716 /nfs/dbraw/zinc/10/07/16/955100716.db2.gz QATBCCAEICRNFE-LOWQCSRCSA-N 0 2 383.448 3.436 20 0 GGADLN O=C([O-])C=Cc1cc(C(=O)N[C@@H]2CCc3[nH]c(C4CCCCC4)[nH+]c3C2)co1 ZINC001594970041 955100726 /nfs/dbraw/zinc/10/07/26/955100726.db2.gz QATBCCAEICRNFE-LOWQCSRCSA-N 0 2 383.448 3.436 20 0 GGADLN C[C@@H]1CCC[N@H+](CC(=O)Nc2ccccc2C(=O)Nc2ccccc2)[C@H]1C(=O)[O-] ZINC000818330911 955395448 /nfs/dbraw/zinc/39/54/48/955395448.db2.gz SRHHVIQFPDFOTI-FOIQADDNSA-N 0 2 395.459 3.063 20 0 GGADLN C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2C(=O)Nc2ccccc2)[C@H]1C(=O)[O-] ZINC000818330911 955395462 /nfs/dbraw/zinc/39/54/62/955395462.db2.gz SRHHVIQFPDFOTI-FOIQADDNSA-N 0 2 395.459 3.063 20 0 GGADLN C[C@@H](NC(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2)cc1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001589102466 956012161 /nfs/dbraw/zinc/01/21/61/956012161.db2.gz AFKXVWUTZUVAAW-IHETXDGRSA-N 0 2 384.480 3.368 20 0 GGADLN C[C@@H](c1cccc(NC(=O)N2CCC[C@H](CCC(=O)[O-])C2)c1)[NH+]1CCOCC1 ZINC001589175030 956489400 /nfs/dbraw/zinc/48/94/00/956489400.db2.gz MQCCFUUAVSHKGC-DLBZAZTESA-N 0 2 389.496 3.189 20 0 GGADLN CC(C)c1nnc(NC(=O)C[NH+]2CCC(c3ccccc3C(=O)[O-])CC2)s1 ZINC001603115262 972196323 /nfs/dbraw/zinc/19/63/23/972196323.db2.gz WSDVXDUVORJSHF-UHFFFAOYSA-N 0 2 388.493 3.178 20 0 GGADLN C[C@H](CC(=O)N1CC[C@H](C(=O)[O-])c2cc(Br)ccc21)n1cc[nH+]c1 ZINC000902326958 956704592 /nfs/dbraw/zinc/70/45/92/956704592.db2.gz ZSCLCYIETKMZLC-YPMHNXCESA-N 0 2 392.253 3.202 20 0 GGADLN C[C@@H](CC(=O)N1CC[C@@H](C(=O)[O-])c2cc(Br)ccc21)n1cc[nH+]c1 ZINC000902326956 956704675 /nfs/dbraw/zinc/70/46/75/956704675.db2.gz ZSCLCYIETKMZLC-WCQYABFASA-N 0 2 392.253 3.202 20 0 GGADLN O=C([O-])[C@@H]([NH2+]CC(=O)Nc1ccc(Br)cc1F)c1ccc(F)cc1 ZINC001594697085 956779223 /nfs/dbraw/zinc/77/92/23/956779223.db2.gz QMEYMOUAYZRKNB-HNNXBMFYSA-N 0 2 399.191 3.081 20 0 GGADLN COc1nc(C)cc(C)c1C[N@H+](C)Cc1ccc(N2CCC(C(=O)[O-])CC2)o1 ZINC000904253094 956943455 /nfs/dbraw/zinc/94/34/55/956943455.db2.gz LKNUYFNUUQITSE-UHFFFAOYSA-N 0 2 387.480 3.233 20 0 GGADLN COc1nc(C)cc(C)c1C[N@@H+](C)Cc1ccc(N2CCC(C(=O)[O-])CC2)o1 ZINC000904253094 956943483 /nfs/dbraw/zinc/94/34/83/956943483.db2.gz LKNUYFNUUQITSE-UHFFFAOYSA-N 0 2 387.480 3.233 20 0 GGADLN O=C([O-])C1CCN(c2ccc(C[NH2+]Cc3nc(-c4ccncc4)cs3)o2)CC1 ZINC000904256622 956945522 /nfs/dbraw/zinc/94/55/22/956945522.db2.gz DKIMXHDBBKSZTH-UHFFFAOYSA-N 0 2 398.488 3.389 20 0 GGADLN CC[C@]1(C(=O)[O-])CCCN(C(=O)Nc2nc(C[N@@H+]3CCC[C@H](C)C3)cs2)C1 ZINC000925913478 957132453 /nfs/dbraw/zinc/13/24/53/957132453.db2.gz AZGRAUOJEBEBCI-LIRRHRJNSA-N 0 2 394.541 3.484 20 0 GGADLN CC[C@]1(C(=O)[O-])CCCN(C(=O)Nc2nc(C[N@H+]3CCC[C@H](C)C3)cs2)C1 ZINC000925913478 957132459 /nfs/dbraw/zinc/13/24/59/957132459.db2.gz AZGRAUOJEBEBCI-LIRRHRJNSA-N 0 2 394.541 3.484 20 0 GGADLN Cc1[nH]c(C(=O)[C@H](C)N2CC[NH+](C/C=C/c3ccccc3)CC2)c(C)c1C(=O)[O-] ZINC000023248854 957157049 /nfs/dbraw/zinc/15/70/49/957157049.db2.gz SRXNFLNKJZAZRG-HKMNZKMDSA-N 0 2 395.503 3.232 20 0 GGADLN O=C([O-])c1sc2cccc(F)c2c1C[NH+]1CCN(C[C@H]2CCCO2)CC1 ZINC000022800528 957157071 /nfs/dbraw/zinc/15/70/71/957157071.db2.gz QBYQNPUAZRRREP-CYBMUJFWSA-N 0 2 378.469 3.035 20 0 GGADLN Cn1cc([C@H]([NH2+]Cc2ccc(N3CCC(C(=O)[O-])CC3)o2)c2ccccc2)cn1 ZINC001120370767 957199064 /nfs/dbraw/zinc/19/90/64/957199064.db2.gz DORAQOGAQAPKDF-OAQYLSRUSA-N 0 2 394.475 3.193 20 0 GGADLN CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@@H]1C[C@@H](C(=O)[O-])c2ccccc21 ZINC001121925138 957236038 /nfs/dbraw/zinc/23/60/38/957236038.db2.gz FUTOPNXUOOTSSC-QZTJIDSGSA-N 0 2 384.480 3.180 20 0 GGADLN CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC001121925140 957236310 /nfs/dbraw/zinc/23/63/10/957236310.db2.gz FUTOPNXUOOTSSC-ZWKOTPCHSA-N 0 2 384.480 3.180 20 0 GGADLN O=C([O-])[C@@H]1C[C@@H](NC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)c2ccccc21 ZINC001339845291 957891153 /nfs/dbraw/zinc/89/11/53/957891153.db2.gz KEFBGXBONQUYLY-RTBURBONSA-N 0 2 394.475 3.184 20 0 GGADLN O=C([O-])[C@@H]1C[C@H](NC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)c2ccccc21 ZINC001339845283 957892296 /nfs/dbraw/zinc/89/22/96/957892296.db2.gz KEFBGXBONQUYLY-MOPGFXCFSA-N 0 2 394.475 3.184 20 0 GGADLN COc1cc(Cl)c(C)cc1NC(=O)C[NH2+][C@](C)(C(=O)[O-])c1ccccc1 ZINC001594058610 958066617 /nfs/dbraw/zinc/06/66/17/958066617.db2.gz HZDRQJUBEZIQQY-IBGZPJMESA-N 0 2 376.840 3.185 20 0 GGADLN Cc1cc(NC(=O)C[NH2+][C@](C)(C(=O)[O-])c2ccccc2)ccc1Br ZINC001594316746 958071352 /nfs/dbraw/zinc/07/13/52/958071352.db2.gz LAMQFYBMSBOXDK-SFHVURJKSA-N 0 2 391.265 3.286 20 0 GGADLN COc1cc2c(cc1NC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C(=O)[O-])oc1ccccc12 ZINC001594067557 958149925 /nfs/dbraw/zinc/14/99/25/958149925.db2.gz BYJGZMIXOQHZQU-MLGOLLRUSA-N 0 2 382.416 3.471 20 0 GGADLN COc1cc2c(cc1NC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C(=O)[O-])oc1ccccc12 ZINC001594067557 958149929 /nfs/dbraw/zinc/14/99/29/958149929.db2.gz BYJGZMIXOQHZQU-MLGOLLRUSA-N 0 2 382.416 3.471 20 0 GGADLN CC(C)C[C@H](CNC(=O)N1CCC[C@H](c2c[nH+]cn2C(C)(C)C)C1)C(=O)[O-] ZINC001357121531 958185504 /nfs/dbraw/zinc/18/55/04/958185504.db2.gz XUUBMBITJRAGRZ-JKSUJKDBSA-N 0 2 378.517 3.274 20 0 GGADLN Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)C1=NN(c2ccccc2)[C@H](C(=O)[O-])C1 ZINC001594337925 958281098 /nfs/dbraw/zinc/28/10/98/958281098.db2.gz RUCSEWQUODEQMN-SFHVURJKSA-N 0 2 389.415 3.043 20 0 GGADLN Cc1ccc(C[N@@H+]2CCO[C@@H](CNC(=O)Nc3ccc(C(=O)[O-])c(C)c3)C2)cc1 ZINC001594358713 958428743 /nfs/dbraw/zinc/42/87/43/958428743.db2.gz PCDCZHLLUINTNE-IBGZPJMESA-N 0 2 397.475 3.024 20 0 GGADLN Cc1ccc(C[N@H+]2CCO[C@@H](CNC(=O)Nc3ccc(C(=O)[O-])c(C)c3)C2)cc1 ZINC001594358713 958428748 /nfs/dbraw/zinc/42/87/48/958428748.db2.gz PCDCZHLLUINTNE-IBGZPJMESA-N 0 2 397.475 3.024 20 0 GGADLN C[C@@H](NC(=O)N[C@H](Cc1[nH+]ccn1C)c1ccccc1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001603228386 972354009 /nfs/dbraw/zinc/35/40/09/972354009.db2.gz WWMVEZGOPOJOQD-BZZMCLGOSA-N 0 2 398.507 3.139 20 0 GGADLN Cc1cccc([C@H]([NH2+][C@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)C(=O)[O-])c1 ZINC001594399182 958822866 /nfs/dbraw/zinc/82/28/66/958822866.db2.gz LRJMLUCYANKKTJ-IRXDYDNUSA-N 0 2 376.815 3.308 20 0 GGADLN Cc1cccc([C@H]([NH2+]CC(=O)Nc2ccc(Br)cc2F)C(=O)[O-])c1 ZINC001594399532 958831738 /nfs/dbraw/zinc/83/17/38/958831738.db2.gz PBJZICAQWMAQOE-INIZCTEOSA-N 0 2 395.228 3.251 20 0 GGADLN C[C@@]([NH2+]CC(=O)NCCc1cccc(Cl)c1Cl)(C(=O)[O-])c1ccccc1 ZINC001603247118 972404857 /nfs/dbraw/zinc/40/48/57/972404857.db2.gz HUDYSXZIGKAKLS-IBGZPJMESA-N 0 2 395.286 3.242 20 0 GGADLN C[C@@H](C(=O)[O-])[N@H+](Cc1cc(Br)c(O)c(Br)c1)C1CC1 ZINC001588596882 959378950 /nfs/dbraw/zinc/37/89/50/959378950.db2.gz KALYNTSLOXTYIM-ZETCQYMHSA-N 0 2 393.075 3.355 20 0 GGADLN C[C@@H](C(=O)[O-])[N@@H+](Cc1cc(Br)c(O)c(Br)c1)C1CC1 ZINC001588596882 959378958 /nfs/dbraw/zinc/37/89/58/959378958.db2.gz KALYNTSLOXTYIM-ZETCQYMHSA-N 0 2 393.075 3.355 20 0 GGADLN C[C@@](CNC(=O)[C@H]1CC[C@@H](Nc2cccc[nH+]2)CC1)(C(=O)[O-])c1ccccc1 ZINC001573600079 959431031 /nfs/dbraw/zinc/43/10/31/959431031.db2.gz FBEUGVUYDXKTEO-CECAUBDESA-N 0 2 381.476 3.211 20 0 GGADLN Cc1[nH+]c(NCc2ccc(N3CCC[C@@H](C(=O)[O-])C3)o2)ccc1-c1cnn(C)c1 ZINC001594460204 959446411 /nfs/dbraw/zinc/44/64/11/959446411.db2.gz WGRIFRUVWIHMJU-OAHLLOKOSA-N 0 2 395.463 3.297 20 0 GGADLN Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N1CC[C@@H](C(=O)[O-])c2ccccc21 ZINC001594463179 959476868 /nfs/dbraw/zinc/47/68/68/959476868.db2.gz QILCNAAXTMMPHS-CYBMUJFWSA-N 0 2 385.370 3.228 20 0 GGADLN Cc1nc(NCc2cccc(C(=O)NC[C@H](CC(=O)[O-])CC(C)C)c2)cc[nH+]1 ZINC001594471408 959562246 /nfs/dbraw/zinc/56/22/46/959562246.db2.gz YYWJNMGQUBARAR-KRWDZBQOSA-N 0 2 384.480 3.264 20 0 GGADLN CN(C)c1[nH+]ccc2cc(NC(=O)N[C@@H](C(=O)[O-])c3ccc(F)cc3)ccc21 ZINC001604092838 972499460 /nfs/dbraw/zinc/49/94/60/972499460.db2.gz IZMYOTGUSJIBFE-QGZVFWFLSA-N 0 2 382.395 3.387 20 0 GGADLN C[C@@H]1CCN(C(=O)Nc2ccc(F)c(C(=O)[O-])c2Cl)C[C@@H]1n1cc[nH+]c1 ZINC001573735756 960433618 /nfs/dbraw/zinc/43/36/18/960433618.db2.gz ILSQCVRWEJRWGK-MFKMUULPSA-N 0 2 380.807 3.489 20 0 GGADLN CC(C)(C(=O)N1CC[NH+]([C@@H](C(=O)[O-])c2ccc(Cl)cc2)CC1)C(F)(F)F ZINC001123285030 960439840 /nfs/dbraw/zinc/43/98/40/960439840.db2.gz KZOXMYDTYSSRBI-CYBMUJFWSA-N 0 2 392.805 3.198 20 0 GGADLN CC(C)(C)OC(=O)C[N@H+](Cc1ccc(N2CCC[C@H](C(=O)[O-])C2)o1)C1CCC1 ZINC001588670951 960522169 /nfs/dbraw/zinc/52/21/69/960522169.db2.gz STYWFOIGXHPPCU-HNNXBMFYSA-N 0 2 392.496 3.277 20 0 GGADLN CC(C)(C)OC(=O)C[N@@H+](Cc1ccc(N2CCC[C@H](C(=O)[O-])C2)o1)C1CCC1 ZINC001588670951 960522182 /nfs/dbraw/zinc/52/21/82/960522182.db2.gz STYWFOIGXHPPCU-HNNXBMFYSA-N 0 2 392.496 3.277 20 0 GGADLN Cc1cc(Cl)ccc1Oc1ccc(C[NH+]2CCN(C(=O)C(=O)[O-])CC2)cc1 ZINC001574330658 960881329 /nfs/dbraw/zinc/88/13/29/960881329.db2.gz HIONIENTCWPQHL-UHFFFAOYSA-N 0 2 388.851 3.170 20 0 GGADLN Cc1cccc([C@H]([NH2+]CC(=O)Nc2ccc(C)cc2Br)C(=O)[O-])c1 ZINC001574390643 961173305 /nfs/dbraw/zinc/17/33/05/961173305.db2.gz AGLVAMPKUPLQGS-KRWDZBQOSA-N 0 2 391.265 3.420 20 0 GGADLN Cc1cccc(NC(=O)c2ccccc2NC(=O)C[N@@H+]([C@@H](C)C(=O)[O-])C2CC2)c1 ZINC001574397706 961220280 /nfs/dbraw/zinc/22/02/80/961220280.db2.gz ZKZMCMLARODIPW-HNNXBMFYSA-N 0 2 395.459 3.123 20 0 GGADLN Cc1cccc(NC(=O)c2ccccc2NC(=O)C[N@H+]([C@@H](C)C(=O)[O-])C2CC2)c1 ZINC001574397706 961220296 /nfs/dbraw/zinc/22/02/96/961220296.db2.gz ZKZMCMLARODIPW-HNNXBMFYSA-N 0 2 395.459 3.123 20 0 GGADLN Cc1ccccc1[C@H]1C[N@H+](Cc2ccc(N3CCC[C@H](C(=O)[O-])C3)o2)CCO1 ZINC001574404308 961252488 /nfs/dbraw/zinc/25/24/88/961252488.db2.gz DZCORCFGNKUTGJ-FXAWDEMLSA-N 0 2 384.476 3.463 20 0 GGADLN Cc1ccccc1[C@H]1C[N@@H+](Cc2ccc(N3CCC[C@H](C(=O)[O-])C3)o2)CCO1 ZINC001574404308 961252502 /nfs/dbraw/zinc/25/25/02/961252502.db2.gz DZCORCFGNKUTGJ-FXAWDEMLSA-N 0 2 384.476 3.463 20 0 GGADLN CCNc1cc(CNC(=O)N2CCC(c3ccccc3C(=O)[O-])CC2)cc[nH+]1 ZINC001573887743 961310924 /nfs/dbraw/zinc/31/09/24/961310924.db2.gz GVTAJLLCPYRXNB-UHFFFAOYSA-N 0 2 382.464 3.301 20 0 GGADLN O=C([O-])c1ccc(C(=O)Nc2ccc3nc(C[NH+]4CCCCC4)[nH]c3c2)cc1 ZINC001332518973 961589191 /nfs/dbraw/zinc/58/91/91/961589191.db2.gz ABXPQXZYHBHMEI-UHFFFAOYSA-N 0 2 378.432 3.499 20 0 GGADLN CC(C)[C@H](CNC(=O)[C@H](c1cccc(Br)c1)[NH+]1CCCC1)C(=O)[O-] ZINC001588817512 961603144 /nfs/dbraw/zinc/60/31/44/961603144.db2.gz ZEMKGBYNAWOTID-HOTGVXAUSA-N 0 2 397.313 3.059 20 0 GGADLN O=C([O-])CCCOc1ccc(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccncc2)cc1 ZINC001334981121 961871318 /nfs/dbraw/zinc/87/13/18/961871318.db2.gz QWLITKGIXBNPQP-FQEVSTJZSA-N 0 2 397.475 3.318 20 0 GGADLN O=C([O-])CCCOc1ccc(NC(=O)[C@@H]2CCCC[N@H+]2Cc2ccncc2)cc1 ZINC001334981121 961871345 /nfs/dbraw/zinc/87/13/45/961871345.db2.gz QWLITKGIXBNPQP-FQEVSTJZSA-N 0 2 397.475 3.318 20 0 GGADLN CC(C)C[C@@H](NC(=O)[C@@H](c1cccc(Br)c1)[NH+]1CCCC1)C(=O)[O-] ZINC001588881073 962147954 /nfs/dbraw/zinc/14/79/54/962147954.db2.gz OHUHMEXBRALYPB-HZPDHXFCSA-N 0 2 397.313 3.202 20 0 GGADLN COc1ccc(OC)c2c1C[N@@H+]([C@H](C(=O)[O-])c1ccccc1Cl)C[C@H]2O ZINC001346219982 962326705 /nfs/dbraw/zinc/32/67/05/962326705.db2.gz TZONRFKMYXUEKD-KDOFPFPSSA-N 0 2 377.824 3.032 20 0 GGADLN COc1ccc(OC)c2c1C[N@H+]([C@H](C(=O)[O-])c1ccccc1Cl)C[C@H]2O ZINC001346219982 962326724 /nfs/dbraw/zinc/32/67/24/962326724.db2.gz TZONRFKMYXUEKD-KDOFPFPSSA-N 0 2 377.824 3.032 20 0 GGADLN O=C([O-])CC[C@H]1CCC[N@H+](CC(=O)Nc2ccccc2C(=O)c2ccccc2)C1 ZINC000263192252 962347512 /nfs/dbraw/zinc/34/75/12/962347512.db2.gz VWBGTGUCCBMOAD-QGZVFWFLSA-N 0 2 394.471 3.433 20 0 GGADLN O=C([O-])CC[C@H]1CCC[N@@H+](CC(=O)Nc2ccccc2C(=O)c2ccccc2)C1 ZINC000263192252 962347523 /nfs/dbraw/zinc/34/75/23/962347523.db2.gz VWBGTGUCCBMOAD-QGZVFWFLSA-N 0 2 394.471 3.433 20 0 GGADLN CCOc1ccccc1C[N@@H+]1CCN(C(=O)c2ccc(C(=O)[O-])cc2)[C@@H](C)C1 ZINC000263458214 962646824 /nfs/dbraw/zinc/64/68/24/962646824.db2.gz UZTLHDKLHDNFIM-INIZCTEOSA-N 0 2 382.460 3.130 20 0 GGADLN CCOc1ccccc1C[N@H+]1CCN(C(=O)c2ccc(C(=O)[O-])cc2)[C@@H](C)C1 ZINC000263458214 962646839 /nfs/dbraw/zinc/64/68/39/962646839.db2.gz UZTLHDKLHDNFIM-INIZCTEOSA-N 0 2 382.460 3.130 20 0 GGADLN CC(C)c1nc([C@H](C)[NH2+][C@H]2CCN([C@H](C(=O)[O-])c3ccccc3)C2=O)cs1 ZINC001588974855 962685135 /nfs/dbraw/zinc/68/51/35/962685135.db2.gz NVFBZUSITDYMKP-QRTARXTBSA-N 0 2 387.505 3.344 20 0 GGADLN CCC[N@H+](CC(=O)[O-])CC(=O)Nc1nc(-c2cc(C)c(C)cc2C)cs1 ZINC000263572819 962740005 /nfs/dbraw/zinc/74/00/05/962740005.db2.gz LLXXSWHWWMRHHP-UHFFFAOYSA-N 0 2 375.494 3.470 20 0 GGADLN CCC[N@@H+](CC(=O)[O-])CC(=O)Nc1nc(-c2cc(C)c(C)cc2C)cs1 ZINC000263572819 962740021 /nfs/dbraw/zinc/74/00/21/962740021.db2.gz LLXXSWHWWMRHHP-UHFFFAOYSA-N 0 2 375.494 3.470 20 0 GGADLN CNC(=O)C[N@H+](Cc1ccc(C(=O)[O-])cc1)Cc1cccc(C(F)(F)F)c1 ZINC000263580970 962748297 /nfs/dbraw/zinc/74/82/97/962748297.db2.gz WNUCBLKTCHRFLM-UHFFFAOYSA-N 0 2 380.366 3.152 20 0 GGADLN CNC(=O)C[N@@H+](Cc1ccc(C(=O)[O-])cc1)Cc1cccc(C(F)(F)F)c1 ZINC000263580970 962748309 /nfs/dbraw/zinc/74/83/09/962748309.db2.gz WNUCBLKTCHRFLM-UHFFFAOYSA-N 0 2 380.366 3.152 20 0 GGADLN O=C([O-])c1ccc(CNC(=O)[C@@H]2CCCC[N@@H+]2Cc2cccc(F)c2)s1 ZINC001517365600 962776377 /nfs/dbraw/zinc/77/63/77/962776377.db2.gz PRZHVQNUILQIEP-INIZCTEOSA-N 0 2 376.453 3.256 20 0 GGADLN O=C([O-])c1ccc(CNC(=O)[C@@H]2CCCC[N@H+]2Cc2cccc(F)c2)s1 ZINC001517365600 962776396 /nfs/dbraw/zinc/77/63/96/962776396.db2.gz PRZHVQNUILQIEP-INIZCTEOSA-N 0 2 376.453 3.256 20 0 GGADLN O=C([O-])c1ccc(CNC(=O)[C@H]2CCCC[N@@H+]2Cc2cccc(F)c2)s1 ZINC001517365601 962777387 /nfs/dbraw/zinc/77/73/87/962777387.db2.gz PRZHVQNUILQIEP-MRXNPFEDSA-N 0 2 376.453 3.256 20 0 GGADLN O=C([O-])c1ccc(CNC(=O)[C@H]2CCCC[N@H+]2Cc2cccc(F)c2)s1 ZINC001517365601 962777411 /nfs/dbraw/zinc/77/74/11/962777411.db2.gz PRZHVQNUILQIEP-MRXNPFEDSA-N 0 2 376.453 3.256 20 0 GGADLN O=C([O-])COc1cccc(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2cccc(F)c2)c1 ZINC001520161281 962818539 /nfs/dbraw/zinc/81/85/39/962818539.db2.gz TVCWMFXYIYFCSJ-IBGZPJMESA-N 0 2 386.423 3.282 20 0 GGADLN O=C([O-])COc1cccc(NC(=O)[C@@H]2CCCC[N@H+]2Cc2cccc(F)c2)c1 ZINC001520161281 962818566 /nfs/dbraw/zinc/81/85/66/962818566.db2.gz TVCWMFXYIYFCSJ-IBGZPJMESA-N 0 2 386.423 3.282 20 0 GGADLN C[C@H](C(=O)[O-])[N@H+](CC(=O)NCc1ccc(-c2ccc(Cl)cc2)o1)C1CC1 ZINC000263192342 967860517 /nfs/dbraw/zinc/86/05/17/967860517.db2.gz VYZOZEGYPUIUOA-GFCCVEGCSA-N 0 2 376.840 3.154 20 0 GGADLN C[C@H](C(=O)[O-])[N@@H+](CC(=O)NCc1ccc(-c2ccc(Cl)cc2)o1)C1CC1 ZINC000263192342 967860528 /nfs/dbraw/zinc/86/05/28/967860528.db2.gz VYZOZEGYPUIUOA-GFCCVEGCSA-N 0 2 376.840 3.154 20 0 GGADLN C[C@H](C(=O)[O-])[N@H+](CC(=O)N1CCc2sccc2[C@@H]1c1ccccc1)C1CC1 ZINC000263211186 967861041 /nfs/dbraw/zinc/86/10/41/967861041.db2.gz ZBZDKQVBLNRAAO-VLIAUNLRSA-N 0 2 384.501 3.160 20 0 GGADLN C[C@H](C(=O)[O-])[N@@H+](CC(=O)N1CCc2sccc2[C@@H]1c1ccccc1)C1CC1 ZINC000263211186 967861052 /nfs/dbraw/zinc/86/10/52/967861052.db2.gz ZBZDKQVBLNRAAO-VLIAUNLRSA-N 0 2 384.501 3.160 20 0 GGADLN CN(CCCC(=O)[O-])C(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000414615404 968337027 /nfs/dbraw/zinc/33/70/27/968337027.db2.gz PJBHMNSLKBBGJY-OAHLLOKOSA-N 0 2 385.867 3.122 20 0 GGADLN C[C@H]1CCC[N@H+](CC(=O)Nc2cc(C(C)(C)C)nn2-c2ccccc2)[C@H]1C(=O)[O-] ZINC000424269809 968355798 /nfs/dbraw/zinc/35/57/98/968355798.db2.gz PTHGCGPVLPNUSG-MGPUTAFESA-N 0 2 398.507 3.293 20 0 GGADLN C[C@H]1CCC[N@@H+](CC(=O)Nc2cc(C(C)(C)C)nn2-c2ccccc2)[C@H]1C(=O)[O-] ZINC000424269809 968355804 /nfs/dbraw/zinc/35/58/04/968355804.db2.gz PTHGCGPVLPNUSG-MGPUTAFESA-N 0 2 398.507 3.293 20 0 GGADLN C[C@H]1CCC[N@H+](CC(=O)Nc2cc(C(C)(C)C)nn2-c2ccccc2)[C@@H]1C(=O)[O-] ZINC000424269815 968356811 /nfs/dbraw/zinc/35/68/11/968356811.db2.gz PTHGCGPVLPNUSG-YWZLYKJASA-N 0 2 398.507 3.293 20 0 GGADLN 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JRTWYPLPCLXPLB-JQWIXIFHSA-N 0 2 397.378 3.032 20 0 GGADLN COc1cc(-c2noc(C[N@H+]3CC[C@H](C)C[C@H]3C(=O)[O-])n2)ccc1OC(F)F ZINC000583029966 974935236 /nfs/dbraw/zinc/93/52/36/974935236.db2.gz JRTWYPLPCLXPLB-JQWIXIFHSA-N 0 2 397.378 3.032 20 0 GGADLN O=C([O-])c1ccccc1OCCN1CC[NH+](Cc2cc3ccccc3[nH]2)CC1 ZINC000629379263 975091638 /nfs/dbraw/zinc/09/16/38/975091638.db2.gz YUIOCWZAHICQIJ-UHFFFAOYSA-N 0 2 379.460 3.063 20 0 GGADLN O=C([O-])[C@H](Cc1ccccc1)NC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC000630097463 975099601 /nfs/dbraw/zinc/09/96/01/975099601.db2.gz YIHJFXBXZRNGIA-RBUKOAKNSA-N 0 2 386.879 3.117 20 0 GGADLN O=C([O-])[C@H](Cc1ccccc1)NC(=O)[C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1 ZINC000630097463 975099607 /nfs/dbraw/zinc/09/96/07/975099607.db2.gz YIHJFXBXZRNGIA-RBUKOAKNSA-N 0 2 386.879 3.117 20 0 GGADLN O=C([O-])c1ccc(CNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)c(F)c1 ZINC000630211565 975162171 /nfs/dbraw/zinc/16/21/71/975162171.db2.gz XYXMHUCBESMLNT-SFHVURJKSA-N 0 2 390.842 3.458 20 0 GGADLN O=C([O-])c1ccc(CNC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)c(F)c1 ZINC000630211565 975162178 /nfs/dbraw/zinc/16/21/78/975162178.db2.gz XYXMHUCBESMLNT-SFHVURJKSA-N 0 2 390.842 3.458 20 0 GGADLN O=C([O-])c1ccc(CNC(=O)[C@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)c(F)c1 ZINC000630211563 975162206 /nfs/dbraw/zinc/16/22/06/975162206.db2.gz XYXMHUCBESMLNT-GOSISDBHSA-N 0 2 390.842 3.458 20 0 GGADLN O=C([O-])c1ccc(CNC(=O)[C@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)c(F)c1 ZINC000630211563 975162213 /nfs/dbraw/zinc/16/22/13/975162213.db2.gz XYXMHUCBESMLNT-GOSISDBHSA-N 0 2 390.842 3.458 20 0 GGADLN O=C([O-])CC1(CC(=O)N2CC[NH+](Cc3cc4ccccc4[nH]3)CC2)CCCC1 ZINC000634946678 975281865 /nfs/dbraw/zinc/28/18/65/975281865.db2.gz WYPDEXSRLDBCHA-UHFFFAOYSA-N 0 2 383.492 3.237 20 0 GGADLN CC(C)(C)c1ccc([C@H](CC(=O)[O-])NC(=O)Cc2cn3c([nH+]2)CCCC3)cc1 ZINC000652056965 975459991 /nfs/dbraw/zinc/45/99/91/975459991.db2.gz ORBLVJLDFYOLDX-SFHVURJKSA-N 0 2 383.492 3.392 20 0 GGADLN CC(C)(C)c1ccc([C@@H](CC(=O)[O-])NC(=O)Cc2cn3c([nH+]2)CCCC3)cc1 ZINC000652056964 975460092 /nfs/dbraw/zinc/46/00/92/975460092.db2.gz ORBLVJLDFYOLDX-GOSISDBHSA-N 0 2 383.492 3.392 20 0 GGADLN C[N@H+](Cc1c(Cl)cccc1C(=O)[O-])[C@@H]1CCN(c2ccccc2F)C1=O ZINC000652413811 975526426 /nfs/dbraw/zinc/52/64/26/975526426.db2.gz PRSLHTUDULFELI-QGZVFWFLSA-N 0 2 376.815 3.415 20 0 GGADLN C[N@@H+](Cc1c(Cl)cccc1C(=O)[O-])[C@@H]1CCN(c2ccccc2F)C1=O ZINC000652413811 975526430 /nfs/dbraw/zinc/52/64/30/975526430.db2.gz PRSLHTUDULFELI-QGZVFWFLSA-N 0 2 376.815 3.415 20 0 GGADLN COc1cc(-c2noc(C[N@@H+]3CCc4cccc(C(=O)[O-])c4C3)n2)ccc1C ZINC000652488369 975556162 /nfs/dbraw/zinc/55/61/62/975556162.db2.gz QDPZVJRKZUYYBU-UHFFFAOYSA-N 0 2 379.416 3.310 20 0 GGADLN COc1cc(-c2noc(C[N@H+]3CCc4cccc(C(=O)[O-])c4C3)n2)ccc1C ZINC000652488369 975556172 /nfs/dbraw/zinc/55/61/72/975556172.db2.gz QDPZVJRKZUYYBU-UHFFFAOYSA-N 0 2 379.416 3.310 20 0 GGADLN CC(C)OC[C@@H](C(=O)[O-])[N@H+](C)Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1 ZINC001591710522 975585407 /nfs/dbraw/zinc/58/54/07/975585407.db2.gz BDCSGWVONCPFBA-KRWDZBQOSA-N 0 2 399.413 3.260 20 0 GGADLN CC(C)OC[C@@H](C(=O)[O-])[N@@H+](C)Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1 ZINC001591710522 975585418 /nfs/dbraw/zinc/58/54/18/975585418.db2.gz BDCSGWVONCPFBA-KRWDZBQOSA-N 0 2 399.413 3.260 20 0 GGADLN CC(C)Oc1c(NC(=O)NC[C@@H]2c3ccccc3C[N@H+]2C)cccc1C(=O)[O-] ZINC001591746465 975784972 /nfs/dbraw/zinc/78/49/72/975784972.db2.gz HUGPXPWHNZJXBC-GOSISDBHSA-N 0 2 383.448 3.480 20 0 GGADLN CC(C)Oc1c(NC(=O)NC[C@@H]2c3ccccc3C[N@@H+]2C)cccc1C(=O)[O-] ZINC001591746465 975784976 /nfs/dbraw/zinc/78/49/76/975784976.db2.gz HUGPXPWHNZJXBC-GOSISDBHSA-N 0 2 383.448 3.480 20 0 GGADLN CC[N@@H+]1CC[C@@H](NC(=O)NCCCCC(=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000666539757 975967622 /nfs/dbraw/zinc/96/76/22/975967622.db2.gz ZAPSXPFBPZTGED-WBVHZDCISA-N 0 2 385.867 3.169 20 0 GGADLN CC[N@H+]1CC[C@@H](NC(=O)NCCCCC(=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000666539757 975967629 /nfs/dbraw/zinc/96/76/29/975967629.db2.gz ZAPSXPFBPZTGED-WBVHZDCISA-N 0 2 385.867 3.169 20 0 GGADLN CC[N@@H+]1CC[C@@H](NC(=O)NCCCCC(=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000666539755 975967851 /nfs/dbraw/zinc/96/78/51/975967851.db2.gz ZAPSXPFBPZTGED-NVXWUHKLSA-N 0 2 385.867 3.169 20 0 GGADLN CC[N@H+]1CC[C@@H](NC(=O)NCCCCC(=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000666539755 975967858 /nfs/dbraw/zinc/96/78/58/975967858.db2.gz ZAPSXPFBPZTGED-NVXWUHKLSA-N 0 2 385.867 3.169 20 0 GGADLN CC(C)c1[nH]c(C[N@@H+]2CCCN(C(=O)c3cccc(F)c3)CC2)cc1C(=O)[O-] ZINC001591912297 976341526 /nfs/dbraw/zinc/34/15/26/976341526.db2.gz JEXJPTIOWGYBKR-UHFFFAOYSA-N 0 2 387.455 3.324 20 0 GGADLN CC(C)c1[nH]c(C[N@H+]2CCCN(C(=O)c3cccc(F)c3)CC2)cc1C(=O)[O-] ZINC001591912297 976341540 /nfs/dbraw/zinc/34/15/40/976341540.db2.gz JEXJPTIOWGYBKR-UHFFFAOYSA-N 0 2 387.455 3.324 20 0 GGADLN C[C@@H](C1CC1)N(C(=O)C[NH2+][C@H](C(=O)[O-])c1ccc(C(F)(F)F)cc1)C1CC1 ZINC001592178664 977084755 /nfs/dbraw/zinc/08/47/55/977084755.db2.gz RWAIHYMGNMTCKI-GTNSWQLSSA-N 0 2 384.398 3.210 20 0 GGADLN C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)C[N@H+](C)Cc1ccc(C(=O)[O-])cn1 ZINC001592181533 977107064 /nfs/dbraw/zinc/10/70/64/977107064.db2.gz VZKYOSPEHCFJCB-INIZCTEOSA-N 0 2 381.476 3.039 20 0 GGADLN C[C@@H](C1CC1)N(Cc1ccccc1)C(=O)C[N@@H+](C)Cc1ccc(C(=O)[O-])cn1 ZINC001592181533 977107068 /nfs/dbraw/zinc/10/70/68/977107068.db2.gz VZKYOSPEHCFJCB-INIZCTEOSA-N 0 2 381.476 3.039 20 0 GGADLN C[C@H](C1CC1)N(Cc1ccccc1)C(=O)C[N@H+](C)Cc1ccc(C(=O)[O-])cn1 ZINC001592181534 977107145 /nfs/dbraw/zinc/10/71/45/977107145.db2.gz VZKYOSPEHCFJCB-MRXNPFEDSA-N 0 2 381.476 3.039 20 0 GGADLN C[C@H](C1CC1)N(Cc1ccccc1)C(=O)C[N@@H+](C)Cc1ccc(C(=O)[O-])cn1 ZINC001592181534 977107149 /nfs/dbraw/zinc/10/71/49/977107149.db2.gz VZKYOSPEHCFJCB-MRXNPFEDSA-N 0 2 381.476 3.039 20 0 GGADLN C[C@@H](CC(=O)Nc1cccc(C(=O)[O-])c1)[NH2+]c1ccc(N2CCOC[C@H]2C)cc1 ZINC001592274166 977547254 /nfs/dbraw/zinc/54/72/54/977547254.db2.gz KSVAZVFAVUWRAE-JKSUJKDBSA-N 0 2 397.475 3.439 20 0 GGADLN C[C@@H](CC(=O)Nc1cccc(C(=O)[O-])c1)[NH2+]c1ccc(N2CCOC[C@@H]2C)cc1 ZINC001592274162 977547520 /nfs/dbraw/zinc/54/75/20/977547520.db2.gz KSVAZVFAVUWRAE-HOTGVXAUSA-N 0 2 397.475 3.439 20 0 GGADLN C[C@](CC(=O)[O-])([NH2+]Cc1csc(-c2ccc3c(c2)OCO3)n1)c1ccccn1 ZINC001592329188 977754642 /nfs/dbraw/zinc/75/46/42/977754642.db2.gz DJLVYSAUGVLCOK-HXUWFJFHSA-N 0 2 397.456 3.414 20 0 GGADLN C[C@](CC(=O)[O-])([NH2+]Cc1nc(-c2cc(F)c(F)c(F)c2)no1)c1ccncc1 ZINC001592329630 977761191 /nfs/dbraw/zinc/76/11/91/977761191.db2.gz JSJMCFGUIYWZNF-GOSISDBHSA-N 0 2 392.337 3.029 20 0 GGADLN C[C@@](CCF)([NH2+]Cc1nc(=O)c2sc(-c3ccc(F)cc3)cc2[nH]1)C(=O)[O-] ZINC001592506352 978318739 /nfs/dbraw/zinc/31/87/39/978318739.db2.gz MCNHEUDBFYALHB-SFHVURJKSA-N 0 2 393.415 3.083 20 0 GGADLN C[C@](CCF)([NH2+]Cc1nc(=O)c2sc(-c3ccc(F)cc3)cc2[nH]1)C(=O)[O-] ZINC001592506351 978319026 /nfs/dbraw/zinc/31/90/26/978319026.db2.gz MCNHEUDBFYALHB-GOSISDBHSA-N 0 2 393.415 3.083 20 0 GGADLN C[C@H](C[N@H+](C)Cc1coc(-c2ccc(C(=O)[O-])cc2)n1)NC(=O)OC(C)(C)C ZINC001592586484 978508951 /nfs/dbraw/zinc/50/89/51/978508951.db2.gz LKDSQKOEMZTBMZ-CYBMUJFWSA-N 0 2 389.452 3.385 20 0 GGADLN C[C@H](C[N@@H+](C)Cc1coc(-c2ccc(C(=O)[O-])cc2)n1)NC(=O)OC(C)(C)C ZINC001592586484 978508952 /nfs/dbraw/zinc/50/89/52/978508952.db2.gz LKDSQKOEMZTBMZ-CYBMUJFWSA-N 0 2 389.452 3.385 20 0 GGADLN C[C@@H]1C[N@H+](Cn2nc(-c3cccnc3)n(-c3ccccc3)c2=S)C[C@@H]1C(=O)[O-] ZINC000828462858 978983665 /nfs/dbraw/zinc/98/36/65/978983665.db2.gz NFJGHFQCZYEHKK-PBHICJAKSA-N 0 2 395.488 3.075 20 0 GGADLN C[C@@H]1C[N@@H+](Cn2nc(-c3cccnc3)n(-c3ccccc3)c2=S)C[C@@H]1C(=O)[O-] ZINC000828462858 978983669 /nfs/dbraw/zinc/98/36/69/978983669.db2.gz NFJGHFQCZYEHKK-PBHICJAKSA-N 0 2 395.488 3.075 20 0 GGADLN Cn1cc[nH+]c1C[C@H](NC(=O)Nc1cc(C(=O)[O-])ccc1F)c1ccccc1 ZINC000833058530 979075841 /nfs/dbraw/zinc/07/58/41/979075841.db2.gz PWUNWQUAWAQHKM-INIZCTEOSA-N 0 2 382.395 3.363 20 0 GGADLN O=C([O-])C[C@H]1CCCN1C(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000833210736 979117825 /nfs/dbraw/zinc/11/78/25/979117825.db2.gz PFHPRAOAISOFGT-CJNGLKHVSA-N 0 2 397.878 3.265 20 0 GGADLN O=C([O-])C[C@H]1CCC[N@@H+]1Cn1nc(-c2cccnc2)n(-c2ccccc2)c1=S ZINC000833212214 979120235 /nfs/dbraw/zinc/12/02/35/979120235.db2.gz VLNCCMYITHGOHZ-QGZVFWFLSA-N 0 2 395.488 3.362 20 0 GGADLN O=C([O-])C[C@H]1CCC[N@H+]1Cn1nc(-c2cccnc2)n(-c2ccccc2)c1=S ZINC000833212214 979120238 /nfs/dbraw/zinc/12/02/38/979120238.db2.gz VLNCCMYITHGOHZ-QGZVFWFLSA-N 0 2 395.488 3.362 20 0 GGADLN O=C([O-])C[C@@H]1CCC[N@@H+]1Cn1nc(COc2ccc(Cl)cc2)oc1=S ZINC000833212136 979120444 /nfs/dbraw/zinc/12/04/44/979120444.db2.gz TXOITNKNUUPORV-LBPRGKRZSA-N 0 2 383.857 3.335 20 0 GGADLN O=C([O-])C[C@@H]1CCC[N@H+]1Cn1nc(COc2ccc(Cl)cc2)oc1=S ZINC000833212136 979120447 /nfs/dbraw/zinc/12/04/47/979120447.db2.gz TXOITNKNUUPORV-LBPRGKRZSA-N 0 2 383.857 3.335 20 0 GGADLN C[C@H](CNC(=O)OC(C)(C)C)[N@H+](C)Cc1coc(-c2ccc(C(=O)[O-])cc2)n1 ZINC001592688579 979129347 /nfs/dbraw/zinc/12/93/47/979129347.db2.gz FGFPHHDNPAHOHZ-CYBMUJFWSA-N 0 2 389.452 3.385 20 0 GGADLN C[C@H](CNC(=O)OC(C)(C)C)[N@@H+](C)Cc1coc(-c2ccc(C(=O)[O-])cc2)n1 ZINC001592688579 979129350 /nfs/dbraw/zinc/12/93/50/979129350.db2.gz FGFPHHDNPAHOHZ-CYBMUJFWSA-N 0 2 389.452 3.385 20 0 GGADLN CCC(CC)(CC(=O)[O-])NC(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1 ZINC001595049825 979276406 /nfs/dbraw/zinc/27/64/06/979276406.db2.gz GXLRLYBFUFCKFN-OAHLLOKOSA-N 0 2 377.485 3.235 20 0 GGADLN CCOc1ccccc1C[N@@H+]1CCN(C(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)[C@@H](C)C1 ZINC000842680196 979325381 /nfs/dbraw/zinc/32/53/81/979325381.db2.gz XYMASTLVVCFZMM-RCCFBDPRSA-N 0 2 388.508 3.009 20 0 GGADLN CCOc1ccccc1C[N@H+]1CCN(C(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)[C@@H](C)C1 ZINC000842680196 979325389 /nfs/dbraw/zinc/32/53/89/979325389.db2.gz XYMASTLVVCFZMM-RCCFBDPRSA-N 0 2 388.508 3.009 20 0 GGADLN CCOc1ccccc1C[N@@H+]1CCN(C(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)[C@H](C)C1 ZINC000842680192 979325888 /nfs/dbraw/zinc/32/58/88/979325888.db2.gz XYMASTLVVCFZMM-KZNAEPCWSA-N 0 2 388.508 3.009 20 0 GGADLN CCOc1ccccc1C[N@H+]1CCN(C(=O)[C@@H]2CCC[C@@H](C(=O)[O-])C2)[C@H](C)C1 ZINC000842680192 979325899 /nfs/dbraw/zinc/32/58/99/979325899.db2.gz XYMASTLVVCFZMM-KZNAEPCWSA-N 0 2 388.508 3.009 20 0 GGADLN COc1cccc([C@H]2C[N@H+](CCOc3ccc(/C=C/C(=O)[O-])cc3)CCO2)c1 ZINC000846244914 979421164 /nfs/dbraw/zinc/42/11/64/979421164.db2.gz VPIAMNSWWMXXNN-TYOLEZHBSA-N 0 2 383.444 3.245 20 0 GGADLN COc1cccc([C@H]2C[N@@H+](CCOc3ccc(/C=C/C(=O)[O-])cc3)CCO2)c1 ZINC000846244914 979421169 /nfs/dbraw/zinc/42/11/69/979421169.db2.gz VPIAMNSWWMXXNN-TYOLEZHBSA-N 0 2 383.444 3.245 20 0 GGADLN COc1cccc([C@H]2C[N@H+](CCOc3ccc(/C=C\C(=O)[O-])cc3)CCO2)c1 ZINC000846244912 979421334 /nfs/dbraw/zinc/42/13/34/979421334.db2.gz VPIAMNSWWMXXNN-PWYGHMFVSA-N 0 2 383.444 3.245 20 0 GGADLN COc1cccc([C@H]2C[N@@H+](CCOc3ccc(/C=C\C(=O)[O-])cc3)CCO2)c1 ZINC000846244912 979421336 /nfs/dbraw/zinc/42/13/36/979421336.db2.gz VPIAMNSWWMXXNN-PWYGHMFVSA-N 0 2 383.444 3.245 20 0 GGADLN C[C@](Cc1ccc(Cl)cc1)([NH2+]Cc1nnc(-c2ccccc2O)o1)C(=O)[O-] ZINC001592840295 979605191 /nfs/dbraw/zinc/60/51/91/979605191.db2.gz VQYUIWMTWAATDU-LJQANCHMSA-N 0 2 387.823 3.271 20 0 GGADLN C[C@](Cc1ccc(Cl)cc1)(NC(=O)c1cccc(Cn2cc[nH+]c2)c1)C(=O)[O-] ZINC001592840891 979610449 /nfs/dbraw/zinc/61/04/49/979610449.db2.gz TVXMAGAWLFITQW-OAQYLSRUSA-N 0 2 397.862 3.401 20 0 GGADLN O=C([O-])c1cn([C@H]2CCC[N@H+](Cc3cc(C(F)(F)F)ccc3Cl)C2)nn1 ZINC000859817314 979649197 /nfs/dbraw/zinc/64/91/97/979649197.db2.gz OIDGANBBISTBJD-LBPRGKRZSA-N 0 2 388.777 3.486 20 0 GGADLN O=C([O-])c1cn([C@H]2CCC[N@@H+](Cc3cc(C(F)(F)F)ccc3Cl)C2)nn1 ZINC000859817314 979649200 /nfs/dbraw/zinc/64/92/00/979649200.db2.gz OIDGANBBISTBJD-LBPRGKRZSA-N 0 2 388.777 3.486 20 0 GGADLN C[C@H](Cc1ccc(NC(=O)Cc2c[nH+]cn2Cc2ccccc2)cc1)C(=O)[O-] ZINC001592859430 979682537 /nfs/dbraw/zinc/68/25/37/979682537.db2.gz SNPRMCSCZKXPGM-MRXNPFEDSA-N 0 2 377.444 3.376 20 0 GGADLN C[C@@H](Cc1ccc(NC(=O)NCc2ccccc2-n2cc[nH+]c2)cc1)C(=O)[O-] ZINC001592871069 979722440 /nfs/dbraw/zinc/72/24/40/979722440.db2.gz ARMQTTQYICVNJJ-HNNXBMFYSA-N 0 2 378.432 3.457 20 0 GGADLN CC[C@H](C[NH2+]Cc1cc(Br)c(O)c(Br)c1)C(=O)[O-] ZINC001595167634 979723909 /nfs/dbraw/zinc/72/39/09/979723909.db2.gz XZSWTBPJEAURTP-MRVPVSSYSA-N 0 2 381.064 3.118 20 0 GGADLN CC[C@@](COC)([NH2+]Cc1nc(=O)c2c(-c3ccccc3)csc2[nH]1)C(=O)[O-] ZINC001595199324 979938516 /nfs/dbraw/zinc/93/85/16/979938516.db2.gz AWMLMAUIJSWLCM-IBGZPJMESA-N 0 2 387.461 3.033 20 0 GGADLN C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CCC(c2c[nH]c3ccc(C(=O)[O-])cc32)CC1 ZINC001592931567 979983654 /nfs/dbraw/zinc/98/36/54/979983654.db2.gz XKIAFHBPUAMVTC-AWEZNQCLSA-N 0 2 395.463 3.040 20 0 GGADLN C[C@H](Cn1cc[nH+]c1)NC(=O)N1CCC(c2c[nH]c3ccc(C(=O)[O-])cc32)CC1 ZINC001592931569 979983770 /nfs/dbraw/zinc/98/37/70/979983770.db2.gz XKIAFHBPUAMVTC-CQSZACIVSA-N 0 2 395.463 3.040 20 0 GGADLN Cc1ccc(S(=O)(=O)C2CC[NH+]([C@H](C(=O)[O-])c3ccccc3F)CC2)cc1 ZINC000872165391 980059921 /nfs/dbraw/zinc/05/99/21/980059921.db2.gz DMYQULAZESKSRM-IBGZPJMESA-N 0 2 391.464 3.198 20 0 GGADLN C[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)[N@H+](C)Cc1ccc(C(=O)[O-])cn1 ZINC001592989262 980171632 /nfs/dbraw/zinc/17/16/32/980171632.db2.gz CSBHIMJGRIVALF-JKSUJKDBSA-N 0 2 395.503 3.356 20 0 GGADLN C[C@H](C(=O)N[C@@H](C)c1ccc2c(c1)CCCC2)[N@@H+](C)Cc1ccc(C(=O)[O-])cn1 ZINC001592989262 980171634 /nfs/dbraw/zinc/17/16/34/980171634.db2.gz CSBHIMJGRIVALF-JKSUJKDBSA-N 0 2 395.503 3.356 20 0 GGADLN C[C@@H](NC(=O)C[NH2+][C@H](C(=O)[O-])c1ccc(C(F)(F)F)cc1)c1ccc(F)cc1 ZINC001593027723 980293448 /nfs/dbraw/zinc/29/34/48/980293448.db2.gz HVAMPEBLCVYYMR-DIFFPNOSSA-N 0 2 398.356 3.437 20 0 GGADLN CCS(=O)(=O)C1CC[NH+](Cc2ccc(-c3ccc(C(=O)[O-])cc3)o2)CC1 ZINC000901464559 980299304 /nfs/dbraw/zinc/29/93/04/980299304.db2.gz JYIDQFNDTPSASB-UHFFFAOYSA-N 0 2 377.462 3.044 20 0 GGADLN O=C([O-])C[C@@H]1C[N@H+](Cc2ccccc2OCc2ccc(F)cc2F)CCO1 ZINC000901506229 980326129 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0 2 382.247 3.307 20 0 GGADLN C[N@@H+]1CC[C@@H](NC(=O)Cc2ccccc2C(=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000901619452 980409599 /nfs/dbraw/zinc/40/95/99/980409599.db2.gz VJXFJBASUCRHRJ-IEBWSBKVSA-N 0 2 390.842 3.281 20 0 GGADLN C[N@H+]1CC[C@@H](NC(=O)Cc2ccccc2C(=O)[O-])[C@H]1c1ccc(Cl)c(F)c1 ZINC000901619452 980409606 /nfs/dbraw/zinc/40/96/06/980409606.db2.gz VJXFJBASUCRHRJ-IEBWSBKVSA-N 0 2 390.842 3.281 20 0 GGADLN O=C([O-])C[C@H]1COCC[N@@H+]1Cc1cnc(-c2ccc(Br)cc2)s1 ZINC000902002468 980680493 /nfs/dbraw/zinc/68/04/93/980680493.db2.gz QFCYRLCGJYAUFY-ZDUSSCGKSA-N 0 2 397.294 3.248 20 0 GGADLN O=C([O-])C[C@H]1COCC[N@H+]1Cc1cnc(-c2ccc(Br)cc2)s1 ZINC000902002468 980680498 /nfs/dbraw/zinc/68/04/98/980680498.db2.gz QFCYRLCGJYAUFY-ZDUSSCGKSA-N 0 2 397.294 3.248 20 0 GGADLN CC[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1cccc(C(=O)[O-])n1 ZINC000902063265 980718029 /nfs/dbraw/zinc/71/80/29/980718029.db2.gz VOGUBGXMSOUUEB-UHFFFAOYSA-N 0 2 381.354 3.259 20 0 GGADLN CC[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1cccc(C(=O)[O-])n1 ZINC000902063265 980718032 /nfs/dbraw/zinc/71/80/32/980718032.db2.gz VOGUBGXMSOUUEB-UHFFFAOYSA-N 0 2 381.354 3.259 20 0 GGADLN O=C([O-])c1ccccc1-c1ccc(C[NH+]2CCN(C(=O)N3CCCCC3)CC2)o1 ZINC000902089284 980727804 /nfs/dbraw/zinc/72/78/04/980727804.db2.gz UHNYZTZJEHVPTK-UHFFFAOYSA-N 0 2 397.475 3.368 20 0 GGADLN CC[C@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)Nc2cc(C(=O)[O-])n(C)c2)CC1 ZINC001595360311 980750678 /nfs/dbraw/zinc/75/06/78/980750678.db2.gz SVHAMGFNPGWGRI-QGZVFWFLSA-N 0 2 388.443 3.163 20 0 GGADLN CC[C@H](c1ccc(F)cc1F)N1CC[NH+](Cc2ccc(C(=O)[O-])cn2)CC1 ZINC001595360516 980752352 /nfs/dbraw/zinc/75/23/52/980752352.db2.gz XLASKVXBVDTWFB-LJQANCHMSA-N 0 2 375.419 3.327 20 0 GGADLN CC[C@@H](c1ccc(F)cc1F)N1CC[NH+](Cc2ccc(C(=O)[O-])cn2)CC1 ZINC001595360515 980752539 /nfs/dbraw/zinc/75/25/39/980752539.db2.gz XLASKVXBVDTWFB-IBGZPJMESA-N 0 2 375.419 3.327 20 0 GGADLN CC[C@@H](c1ccccc1)[N@H+](CC(=O)[O-])CC(=O)NC(=O)Nc1ccc(C)cc1C ZINC001595361494 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QNNDNHZHQUBGSD-NEPJUHHUSA-N 0 2 382.551 3.337 20 0 GGADLN CC[C@H]1C[N@H+](CC(=O)Nc2sc3c(c2C(=O)[O-])CC[C@@H](C)C3)CCCO1 ZINC001595484284 981218642 /nfs/dbraw/zinc/21/86/42/981218642.db2.gz WPCWQWVDZWESLI-OLZOCXBDSA-N 0 2 380.510 3.011 20 0 GGADLN CC[C@H]1C[N@@H+](CC(=O)Nc2sc3c(c2C(=O)[O-])CC[C@@H](C)C3)CCCO1 ZINC001595484284 981218644 /nfs/dbraw/zinc/21/86/44/981218644.db2.gz WPCWQWVDZWESLI-OLZOCXBDSA-N 0 2 380.510 3.011 20 0 GGADLN C[C@H](c1ccsc1)[NH+]1CCN(C(=O)[C@@]2(C(=O)[O-])C[C@H]2c2ccccc2)CC1 ZINC000907835587 981228890 /nfs/dbraw/zinc/22/88/90/981228890.db2.gz MDTANGDEVRVCFT-FYINFDKHSA-N 0 2 384.501 3.212 20 0 GGADLN O=C([O-])[C@H](CNC(=O)c1ccc(NCCn2cc[nH+]c2)cc1)CC1CCCC1 ZINC000908290359 981297856 /nfs/dbraw/zinc/29/78/56/981297856.db2.gz WWYCXLLPJBPHDW-SFHVURJKSA-N 0 2 384.480 3.006 20 0 GGADLN C[N@@H+]1CCC[C@H]1c1cc(C(=O)N[C@H](CC(=O)[O-])c2ccc(C(C)(C)C)cc2)[nH]n1 ZINC000909007473 981402662 /nfs/dbraw/zinc/40/26/62/981402662.db2.gz XFXIMQNQZHIEIF-APWZRJJASA-N 0 2 398.507 3.420 20 0 GGADLN C[N@H+]1CCC[C@H]1c1cc(C(=O)N[C@H](CC(=O)[O-])c2ccc(C(C)(C)C)cc2)[nH]n1 ZINC000909007473 981402664 /nfs/dbraw/zinc/40/26/64/981402664.db2.gz XFXIMQNQZHIEIF-APWZRJJASA-N 0 2 398.507 3.420 20 0 GGADLN CCC[C@H](C)[N@@H+]1Cc2cccc(NS(=O)(=O)c3ccc(C(=O)[O-])nc3)c2C1 ZINC001595581106 981522252 /nfs/dbraw/zinc/52/22/52/981522252.db2.gz SBDLUZPJZGKIBB-ZDUSSCGKSA-N 0 2 389.477 3.085 20 0 GGADLN CCC[C@H](C)[N@H+]1Cc2cccc(NS(=O)(=O)c3ccc(C(=O)[O-])nc3)c2C1 ZINC001595581106 981522255 /nfs/dbraw/zinc/52/22/55/981522255.db2.gz SBDLUZPJZGKIBB-ZDUSSCGKSA-N 0 2 389.477 3.085 20 0 GGADLN CC(C)[C@@H](C(=O)Nc1ccc(C[C@@H](C)C(=O)[O-])cc1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000909518594 981524451 /nfs/dbraw/zinc/52/44/51/981524451.db2.gz CBCCRVXUYLHZDN-NNFUDEMPSA-N 0 2 376.497 3.022 20 0 GGADLN CCC(CC)[C@H](C(=O)Nc1ccc(C[C@@H](C)C(=O)[O-])cc1)[NH+]1CCOCC1 ZINC000909525796 981531764 /nfs/dbraw/zinc/53/17/64/981531764.db2.gz YBBIKSUUUBKJFY-DNVCBOLYSA-N 0 2 376.497 3.025 20 0 GGADLN O=C([O-])[C@@H]1CN(C(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)C[C@@H]1c1ccccc1 ZINC000909828193 981647158 /nfs/dbraw/zinc/64/71/58/981647158.db2.gz CGKBNUGBKUXHGG-VAMGGRTRSA-N 0 2 389.455 3.259 20 0 GGADLN O=C([O-])[C@@H]1CN(C(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)C[C@@H]1c1ccccc1 ZINC000909828197 981647173 /nfs/dbraw/zinc/64/71/73/981647173.db2.gz CGKBNUGBKUXHGG-XUVXKRRUSA-N 0 2 389.455 3.259 20 0 GGADLN O=C([O-])Cc1ccc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)cc1F ZINC000909848072 981675184 /nfs/dbraw/zinc/67/51/84/981675184.db2.gz XQCVCQQCZKSNOD-LJQANCHMSA-N 0 2 388.464 3.181 20 0 GGADLN O=C([O-])[C@@]1(c2ccccc2)CCN(C(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)C1 ZINC000909857228 981682826 /nfs/dbraw/zinc/68/28/26/981682826.db2.gz NKXKPZYLBQRPBM-CVDCTZTESA-N 0 2 389.455 3.187 20 0 GGADLN CCC[C@@H]1C(=O)NCC[N@H+]1Cc1ccccc1OCc1ccc(C(=O)[O-])cc1 ZINC001595620221 981687220 /nfs/dbraw/zinc/68/72/20/981687220.db2.gz ZRWIFHNQRANJTQ-LJQANCHMSA-N 0 2 382.460 3.064 20 0 GGADLN CCC[C@@H]1C(=O)NCC[N@@H+]1Cc1ccccc1OCc1ccc(C(=O)[O-])cc1 ZINC001595620221 981687225 /nfs/dbraw/zinc/68/72/25/981687225.db2.gz ZRWIFHNQRANJTQ-LJQANCHMSA-N 0 2 382.460 3.064 20 0 GGADLN CC[N@H+](CC(=O)N[C@@H](C)c1ncc(C(=O)[O-])s1)Cc1ccccc1Cl ZINC000910151009 981765890 /nfs/dbraw/zinc/76/58/90/981765890.db2.gz XZWPRNARZNMXQU-NSHDSACASA-N 0 2 381.885 3.194 20 0 GGADLN CC[N@@H+](CC(=O)N[C@@H](C)c1ncc(C(=O)[O-])s1)Cc1ccccc1Cl ZINC000910151009 981765895 /nfs/dbraw/zinc/76/58/95/981765895.db2.gz XZWPRNARZNMXQU-NSHDSACASA-N 0 2 381.885 3.194 20 0 GGADLN Cc1nc(N2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)ccc1C(=O)[O-] ZINC000910276409 981837150 /nfs/dbraw/zinc/83/71/50/981837150.db2.gz CHUKGZHYXORLHV-UHFFFAOYSA-N 0 2 379.382 3.429 20 0 GGADLN COc1cccc([C@@H](C)[NH+]2CCN(C(=O)c3cc(C)cc(C(=O)[O-])c3)CC2)c1 ZINC000910683396 982060621 /nfs/dbraw/zinc/06/06/21/982060621.db2.gz GNVCORHYOCDZPD-MRXNPFEDSA-N 0 2 382.460 3.221 20 0 GGADLN C[C@H]1CCN(C(=O)c2cc(Br)cc(C(=O)[O-])c2)C[C@@H]1n1cc[nH+]c1 ZINC000910685605 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2 389.452 3.461 20 0 GGADLN CCC(CC)[C@@H](C(=O)Nc1ccc(SC)c(C(=O)[O-])c1)[NH+]1CCOCC1 ZINC000910947702 982172576 /nfs/dbraw/zinc/17/25/76/982172576.db2.gz KDQVWMKBWJNHOP-KRWDZBQOSA-N 0 2 380.510 3.182 20 0 GGADLN C[C@H](Sc1ccccc1C(=O)N1CC[NH+](Cc2cccs2)CC1)C(=O)[O-] ZINC000911118101 982247499 /nfs/dbraw/zinc/24/74/99/982247499.db2.gz DZPAUSSDJXMPEP-AWEZNQCLSA-N 0 2 390.530 3.271 20 0 GGADLN CCCC[N@@H+]1Cc2cccc(NS(=O)(=O)c3cccc(CC(=O)[O-])c3)c2C1 ZINC001595751914 982437421 /nfs/dbraw/zinc/43/74/21/982437421.db2.gz YAGSLQFAZYOJSB-UHFFFAOYSA-N 0 2 388.489 3.230 20 0 GGADLN CCCC[N@H+]1Cc2cccc(NS(=O)(=O)c3cccc(CC(=O)[O-])c3)c2C1 ZINC001595751914 982437427 /nfs/dbraw/zinc/43/74/27/982437427.db2.gz YAGSLQFAZYOJSB-UHFFFAOYSA-N 0 2 388.489 3.230 20 0 GGADLN C[C@H](c1ccsc1)[NH+]1CCN(C(=O)C23CCC(C(=O)[O-])(CC2)CC3)CC1 ZINC000911509403 982464609 /nfs/dbraw/zinc/46/46/09/982464609.db2.gz CLLVIFQRELOMJD-APMMTJHUSA-N 0 2 376.522 3.379 20 0 GGADLN O=C([O-])[C@@H]1CC[C@H](C(=O)N(CCn2cc[nH+]c2)Cc2cccc(Cl)c2)C1 ZINC000911540274 982483814 /nfs/dbraw/zinc/48/38/14/982483814.db2.gz CENMNGFIKFVEBG-JKSUJKDBSA-N 0 2 375.856 3.066 20 0 GGADLN CCOc1ccccc1C[N@@H+]1CCN(C(=O)Cc2cccc(C(=O)[O-])c2)[C@@H](C)C1 ZINC000911571688 982509735 /nfs/dbraw/zinc/50/97/35/982509735.db2.gz CGXBXTYIIDJKLM-KRWDZBQOSA-N 0 2 396.487 3.059 20 0 GGADLN CCOc1ccccc1C[N@H+]1CCN(C(=O)Cc2cccc(C(=O)[O-])c2)[C@@H](C)C1 ZINC000911571688 982509749 /nfs/dbraw/zinc/50/97/49/982509749.db2.gz CGXBXTYIIDJKLM-KRWDZBQOSA-N 0 2 396.487 3.059 20 0 GGADLN CC[C@@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccc(C(=O)[O-])o1 ZINC001594931571 982568229 /nfs/dbraw/zinc/56/82/29/982568229.db2.gz RVYPOADFKNNEGK-PBHICJAKSA-N 0 2 385.464 3.054 20 0 GGADLN CC[C@@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccc(C(=O)[O-])o1 ZINC001594931571 982568234 /nfs/dbraw/zinc/56/82/34/982568234.db2.gz RVYPOADFKNNEGK-PBHICJAKSA-N 0 2 385.464 3.054 20 0 GGADLN O=C([O-])CC[C@@H]1CC[C@H](C(=O)Nc2ccccc2-c2[nH+]cc3n2CCCC3)O1 ZINC000911702832 982605570 /nfs/dbraw/zinc/60/55/70/982605570.db2.gz INRKQGXEAFFVNJ-MAUKXSAKSA-N 0 2 383.448 3.237 20 0 GGADLN CCCCn1c(SC[C@H]2CC(C(=O)[O-])=C(C)O2)nnc1[C@H](CC)[NH+](C)C ZINC001595804059 982627874 /nfs/dbraw/zinc/62/78/74/982627874.db2.gz ZEXDVWQZGAIFTH-HIFRSBDPSA-N 0 2 382.530 3.331 20 0 GGADLN CCCCn1c(SC[C@H]2CC(C(=O)[O-])=C(C)O2)nnc1[C@@H](CC)[NH+](C)C ZINC001595804060 982627895 /nfs/dbraw/zinc/62/78/95/982627895.db2.gz ZEXDVWQZGAIFTH-UKRRQHHQSA-N 0 2 382.530 3.331 20 0 GGADLN O=C([O-])c1ccoc1CSc1ccccc1C(=O)N[C@@H]1CCc2c[nH+]cn2C1 ZINC000911777279 982643813 /nfs/dbraw/zinc/64/38/13/982643813.db2.gz RVQJXTOQCRCWME-CYBMUJFWSA-N 0 2 397.456 3.211 20 0 GGADLN CCC[N@H+](CC(=O)Nc1ccc(Cl)cc1)Cc1snc(OC)c1C(=O)[O-] ZINC001595846291 982772703 /nfs/dbraw/zinc/77/27/03/982772703.db2.gz QTWIUJHNBAABGR-UHFFFAOYSA-N 0 2 397.884 3.354 20 0 GGADLN CCC[N@@H+](CC(=O)Nc1ccc(Cl)cc1)Cc1snc(OC)c1C(=O)[O-] ZINC001595846291 982772711 /nfs/dbraw/zinc/77/27/11/982772711.db2.gz QTWIUJHNBAABGR-UHFFFAOYSA-N 0 2 397.884 3.354 20 0 GGADLN CC(C)(C(=O)[O-])c1ccc(NC(=O)[C@H]2CCCC[N@@H+]2Cc2cccnc2)cc1 ZINC001119641230 983010463 /nfs/dbraw/zinc/01/04/63/983010463.db2.gz UJRIRHNLORTUHU-LJQANCHMSA-N 0 2 381.476 3.437 20 0 GGADLN CC(C)(C(=O)[O-])c1ccc(NC(=O)[C@H]2CCCC[N@H+]2Cc2cccnc2)cc1 ZINC001119641230 983010470 /nfs/dbraw/zinc/01/04/70/983010470.db2.gz UJRIRHNLORTUHU-LJQANCHMSA-N 0 2 381.476 3.437 20 0 GGADLN CCCOc1ccc2c(c1)CC[N@@H+](CC(=O)Nc1cc(C(=O)[O-])ccc1C)C2 ZINC001595967273 983178638 /nfs/dbraw/zinc/17/86/38/983178638.db2.gz JLPRXLCAFGBCMU-UHFFFAOYSA-N 0 2 382.460 3.479 20 0 GGADLN CCCOc1ccc2c(c1)CC[N@H+](CC(=O)Nc1cc(C(=O)[O-])ccc1C)C2 ZINC001595967273 983178641 /nfs/dbraw/zinc/17/86/41/983178641.db2.gz JLPRXLCAFGBCMU-UHFFFAOYSA-N 0 2 382.460 3.479 20 0 GGADLN CCCOc1cccc(CNC(=O)C[NH2+][C@H](C(=O)[O-])c2ccc(C)c(C)c2)c1 ZINC001595969279 983190625 /nfs/dbraw/zinc/19/06/25/983190625.db2.gz QHVRUXCFWQGKMT-NRFANRHFSA-N 0 2 384.476 3.124 20 0 GGADLN CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1cc(F)c(C(=O)[O-])c(F)c1 ZINC001596116046 983446396 /nfs/dbraw/zinc/44/63/96/983446396.db2.gz RCZLVVOTEHFTSH-UHFFFAOYSA-N 0 2 380.395 3.366 20 0 GGADLN CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1cc(C(=O)[O-])c(F)cc1F ZINC001596116024 983446481 /nfs/dbraw/zinc/44/64/81/983446481.db2.gz PXWCKIUVBIGZCY-UHFFFAOYSA-N 0 2 380.395 3.366 20 0 GGADLN CCN(C(=O)C[N@@H+]1CCc2ccc(C(=O)[O-])cc2C1)c1nc2ccccc2s1 ZINC001596143139 983496249 /nfs/dbraw/zinc/49/62/49/983496249.db2.gz KOVRUUAIHNXFCX-UHFFFAOYSA-N 0 2 395.484 3.406 20 0 GGADLN CCN(C(=O)C[N@H+]1CCc2ccc(C(=O)[O-])cc2C1)c1nc2ccccc2s1 ZINC001596143139 983496251 /nfs/dbraw/zinc/49/62/51/983496251.db2.gz KOVRUUAIHNXFCX-UHFFFAOYSA-N 0 2 395.484 3.406 20 0 GGADLN CCN(C(=O)C[NH2+][C@@](C)(C(=O)[O-])c1ccc(F)cc1)[C@@H](C)c1ccc(F)cc1 ZINC001596144337 983499944 /nfs/dbraw/zinc/49/99/44/983499944.db2.gz ZEHSBBOQTXSHJH-LHSJRXKWSA-N 0 2 390.430 3.464 20 0 GGADLN CC[N@H+](CC(=O)Nc1c(F)cccc1F)Cc1ccccc1O[C@H](C)C(=O)[O-] ZINC001596208461 983598688 /nfs/dbraw/zinc/59/86/88/983598688.db2.gz YYUXPKUYFQBYCM-CYBMUJFWSA-N 0 2 392.402 3.277 20 0 GGADLN CC[N@@H+](CC(=O)Nc1c(F)cccc1F)Cc1ccccc1O[C@H](C)C(=O)[O-] ZINC001596208461 983598689 /nfs/dbraw/zinc/59/86/89/983598689.db2.gz YYUXPKUYFQBYCM-CYBMUJFWSA-N 0 2 392.402 3.277 20 0 GGADLN CCN(CC)C(=O)OC[C@H]1CCCC[N@@H+]1Cc1nc2cc(C(=O)[O-])ccc2[nH]1 ZINC001596250032 983653635 /nfs/dbraw/zinc/65/36/35/983653635.db2.gz JJBQIRBTDHYHGK-OAHLLOKOSA-N 0 2 388.468 3.094 20 0 GGADLN CCN(CC)C(=O)OC[C@H]1CCCC[N@H+]1Cc1nc2cc(C(=O)[O-])ccc2[nH]1 ZINC001596250032 983653638 /nfs/dbraw/zinc/65/36/38/983653638.db2.gz JJBQIRBTDHYHGK-OAHLLOKOSA-N 0 2 388.468 3.094 20 0 GGADLN CC[NH+](CC)Cc1csc(NC(=O)Cn2cc(C(=O)[O-])c3ccccc32)n1 ZINC001596277790 983698774 /nfs/dbraw/zinc/69/87/74/983698774.db2.gz ILGSOGBQPSGYTF-UHFFFAOYSA-N 0 2 386.477 3.277 20 0 GGADLN CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)c1cc(F)cc(C(=O)[O-])c1 ZINC001596298099 983719911 /nfs/dbraw/zinc/71/99/11/983719911.db2.gz CXVXJLPTQJHZJN-UHFFFAOYSA-N 0 2 385.439 3.298 20 0 GGADLN CC[N@@H+]1CC[C@@H](NC(=O)CC(C)(C)CC(=O)[O-])[C@@H]1c1cc(F)c(F)c(F)c1 ZINC001596409616 983994677 /nfs/dbraw/zinc/99/46/77/983994677.db2.gz PUYPIQLFTCBWDN-KDOFPFPSSA-N 0 2 386.414 3.246 20 0 GGADLN CC[N@H+]1CC[C@@H](NC(=O)CC(C)(C)CC(=O)[O-])[C@@H]1c1cc(F)c(F)c(F)c1 ZINC001596409616 983994679 /nfs/dbraw/zinc/99/46/79/983994679.db2.gz PUYPIQLFTCBWDN-KDOFPFPSSA-N 0 2 386.414 3.246 20 0 GGADLN CC[N@@H+]1CC[C@H](NC(=O)c2ccc(C(=O)[O-])n2C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001596410829 984003914 /nfs/dbraw/zinc/00/39/14/984003914.db2.gz VBTXKOMBKZWVGT-YOEHRIQHSA-N 0 2 393.846 3.081 20 0 GGADLN CC[N@H+]1CC[C@H](NC(=O)c2ccc(C(=O)[O-])n2C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001596410829 984003924 /nfs/dbraw/zinc/00/39/24/984003924.db2.gz VBTXKOMBKZWVGT-YOEHRIQHSA-N 0 2 393.846 3.081 20 0 GGADLN CCNC(=O)OC[C@@H]1CCCC[N@@H+]1Cc1coc(-c2ccc(C(=O)[O-])cc2)n1 ZINC001596478021 984204932 /nfs/dbraw/zinc/20/49/32/984204932.db2.gz MEYQIIGOIBYWPC-KRWDZBQOSA-N 0 2 387.436 3.140 20 0 GGADLN CCNC(=O)OC[C@@H]1CCCC[N@H+]1Cc1coc(-c2ccc(C(=O)[O-])cc2)n1 ZINC001596478021 984204940 /nfs/dbraw/zinc/20/49/40/984204940.db2.gz MEYQIIGOIBYWPC-KRWDZBQOSA-N 0 2 387.436 3.140 20 0 GGADLN CCNc1cc(CNC(=O)NC[C@@H]2CCCc3ccc(C(=O)[O-])cc32)cc[nH+]1 ZINC001596499771 984250709 /nfs/dbraw/zinc/25/07/09/984250709.db2.gz REOJESPHXVDEGQ-KRWDZBQOSA-N 0 2 382.464 3.131 20 0 GGADLN CCNc1cc(CNC(=O)Nc2cc(C(=O)[O-])ccc2N2CCCC2)cc[nH+]1 ZINC001596501166 984253160 /nfs/dbraw/zinc/25/31/60/984253160.db2.gz GNEFMJVIEDEZGV-UHFFFAOYSA-N 0 2 383.452 3.134 20 0 GGADLN CCOC(=O)C1(C(=O)c2ccccc2)CC[NH+](Cc2cc(C(=O)[O-])c(C)[nH]2)CC1 ZINC001596541734 984382815 /nfs/dbraw/zinc/38/28/15/984382815.db2.gz BAFVIUGAKHZHHG-UHFFFAOYSA-N 0 2 398.459 3.050 20 0 GGADLN Cc1[nH]c(C(=O)[C@H](C)[N@@H+]2CC[C@H](C(=O)OC(C)(C)C)[C@@H](C)C2)c(C)c1C(=O)[O-] ZINC001599943311 985482278 /nfs/dbraw/zinc/48/22/78/985482278.db2.gz AMWLJOSKVSIJAR-CQDKDKBSSA-N 0 2 392.496 3.201 20 0 GGADLN Cc1[nH]c(C(=O)[C@H](C)[N@H+]2CC[C@H](C(=O)OC(C)(C)C)[C@@H](C)C2)c(C)c1C(=O)[O-] ZINC001599943311 985482283 /nfs/dbraw/zinc/48/22/83/985482283.db2.gz AMWLJOSKVSIJAR-CQDKDKBSSA-N 0 2 392.496 3.201 20 0 GGADLN Cc1[nH]c(C(=O)C[N@@H+](Cc2cccc(F)c2)C[C@@H]2CCCO2)c(C)c1C(=O)[O-] ZINC001599944981 985509674 /nfs/dbraw/zinc/50/96/74/985509674.db2.gz SAMVKUMMNKTMSP-KRWDZBQOSA-N 0 2 388.439 3.333 20 0 GGADLN Cc1[nH]c(C(=O)C[N@H+](Cc2cccc(F)c2)C[C@@H]2CCCO2)c(C)c1C(=O)[O-] ZINC001599944981 985509684 /nfs/dbraw/zinc/50/96/84/985509684.db2.gz SAMVKUMMNKTMSP-KRWDZBQOSA-N 0 2 388.439 3.333 20 0 GGADLN Cc1[nH]c(C(=O)[C@@H](C)[NH2+][C@H](c2cnn(C)c2)c2ccccc2)c(C)c1C(=O)[O-] ZINC001599944936 985510058 /nfs/dbraw/zinc/51/00/58/985510058.db2.gz RKZRLHQUGFFSPJ-KUHUBIRLSA-N 0 2 380.448 3.014 20 0 GGADLN Cc1[nH]c(C(=O)C[NH+]2CCC(c3nc(C4CCC4)no3)CC2)c(C)c1C(=O)[O-] ZINC001599945293 985516017 /nfs/dbraw/zinc/51/60/17/985516017.db2.gz MRUIHWZWKKTYCW-UHFFFAOYSA-N 0 2 386.452 3.043 20 0 GGADLN Cc1[nH]c(C(=O)C[N@@H+]2CCCC[C@H]2CCC(=O)OC(C)(C)C)c(C)c1C(=O)[O-] ZINC001599945385 985517943 /nfs/dbraw/zinc/51/79/43/985517943.db2.gz MZUGUPYBEZCVCF-HNNXBMFYSA-N 0 2 392.496 3.489 20 0 GGADLN Cc1[nH]c(C(=O)C[N@H+]2CCCC[C@H]2CCC(=O)OC(C)(C)C)c(C)c1C(=O)[O-] ZINC001599945385 985517953 /nfs/dbraw/zinc/51/79/53/985517953.db2.gz MZUGUPYBEZCVCF-HNNXBMFYSA-N 0 2 392.496 3.489 20 0 GGADLN Cc1[nH]c(C(=O)C[N@@H+]2CCCC[C@@H]2CC(=O)OC(C)(C)C)c(C)c1C(=O)[O-] ZINC001599945513 985520351 /nfs/dbraw/zinc/52/03/51/985520351.db2.gz OFZFNUKSTLXLMM-CQSZACIVSA-N 0 2 378.469 3.099 20 0 GGADLN Cc1[nH]c(C(=O)C[N@H+]2CCCC[C@@H]2CC(=O)OC(C)(C)C)c(C)c1C(=O)[O-] ZINC001599945513 985520356 /nfs/dbraw/zinc/52/03/56/985520356.db2.gz OFZFNUKSTLXLMM-CQSZACIVSA-N 0 2 378.469 3.099 20 0 GGADLN Cc1[nH]c(C(=O)[C@H](C)[N@@H+]2CC[C@@H](Oc3ccc(C4CC4)cn3)C2)c(C)c1C(=O)[O-] ZINC001599946889 985542390 /nfs/dbraw/zinc/54/23/90/985542390.db2.gz XTGIDJLPQBSKMV-WMLDXEAASA-N 0 2 397.475 3.327 20 0 GGADLN Cc1[nH]c(C(=O)[C@H](C)[N@H+]2CC[C@@H](Oc3ccc(C4CC4)cn3)C2)c(C)c1C(=O)[O-] ZINC001599946889 985542395 /nfs/dbraw/zinc/54/23/95/985542395.db2.gz XTGIDJLPQBSKMV-WMLDXEAASA-N 0 2 397.475 3.327 20 0 GGADLN Cc1[nH]c(C(=O)[C@@H](C)[N@@H+]2CC[C@H](Oc3ccc(C4CC4)cn3)C2)c(C)c1C(=O)[O-] ZINC001599946887 985542665 /nfs/dbraw/zinc/54/26/65/985542665.db2.gz XTGIDJLPQBSKMV-PBHICJAKSA-N 0 2 397.475 3.327 20 0 GGADLN Cc1[nH]c(C(=O)[C@@H](C)[N@H+]2CC[C@H](Oc3ccc(C4CC4)cn3)C2)c(C)c1C(=O)[O-] ZINC001599946887 985542670 /nfs/dbraw/zinc/54/26/70/985542670.db2.gz XTGIDJLPQBSKMV-PBHICJAKSA-N 0 2 397.475 3.327 20 0 GGADLN CCO[C@@H]1CCC[N@H+](CC(=O)Nc2sc3c(c2C(=O)[O-])CC[C@@H](C)C3)C1 ZINC001596854641 985600087 /nfs/dbraw/zinc/60/00/87/985600087.db2.gz GUUNXUXVNUYKBN-CHWSQXEVSA-N 0 2 380.510 3.011 20 0 GGADLN CCO[C@@H]1CCC[N@@H+](CC(=O)Nc2sc3c(c2C(=O)[O-])CC[C@@H](C)C3)C1 ZINC001596854641 985600098 /nfs/dbraw/zinc/60/00/98/985600098.db2.gz GUUNXUXVNUYKBN-CHWSQXEVSA-N 0 2 380.510 3.011 20 0 GGADLN Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)N[C@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC001599955240 985678059 /nfs/dbraw/zinc/67/80/59/985678059.db2.gz FZZMHGBHDXRDGR-AWEZNQCLSA-N 0 2 384.480 3.388 20 0 GGADLN Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)N[C@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC001599955240 985678066 /nfs/dbraw/zinc/67/80/66/985678066.db2.gz FZZMHGBHDXRDGR-AWEZNQCLSA-N 0 2 384.480 3.388 20 0 GGADLN CCOCN(C(=O)C[NH2+][C@@H](C(=O)[O-])c1ccccc1)c1c(C)cccc1CC ZINC001596945875 986089484 /nfs/dbraw/zinc/08/94/84/986089484.db2.gz SEKLTPUDKKWTPL-HXUWFJFHSA-N 0 2 384.476 3.300 20 0 GGADLN CC(=O)c1cccc(NC(=O)C[NH2+][C@H](C(=O)[O-])c2ccc(C(F)(F)F)cc2)c1 ZINC001589311479 986097044 /nfs/dbraw/zinc/09/70/44/986097044.db2.gz TTYRNFCMRNCODT-KRWDZBQOSA-N 0 2 394.349 3.262 20 0 GGADLN C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)N[C@@](C)(CC(=O)[O-])C2CC2)C[C@H](C)O1 ZINC001594546229 986215192 /nfs/dbraw/zinc/21/51/92/986215192.db2.gz YVRPMHPXBQPCRI-ZSDSOXJFSA-N 0 2 389.496 3.061 20 0 GGADLN C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)N[C@@](C)(CC(=O)[O-])C2CC2)C[C@H](C)O1 ZINC001594546229 986215200 /nfs/dbraw/zinc/21/52/00/986215200.db2.gz YVRPMHPXBQPCRI-ZSDSOXJFSA-N 0 2 389.496 3.061 20 0 GGADLN C[C@@H]1CN(c2ccc(C(=O)[O-])cc2)CC[N@@H+]1Cc1cn2cc(Cl)ccc2n1 ZINC001594568530 986372338 /nfs/dbraw/zinc/37/23/38/986372338.db2.gz KNKFTSKOYMQAJS-CQSZACIVSA-N 0 2 384.867 3.397 20 0 GGADLN C[C@@H]1CN(c2ccc(C(=O)[O-])cc2)CC[N@H+]1Cc1cn2cc(Cl)ccc2n1 ZINC001594568530 986372347 /nfs/dbraw/zinc/37/23/47/986372347.db2.gz KNKFTSKOYMQAJS-CQSZACIVSA-N 0 2 384.867 3.397 20 0 GGADLN C[C@@H](C(=O)N1CCSc2ccccc21)[N@@H+]1CCc2cc(C(=O)[O-])ccc2C1 ZINC001589364566 986385785 /nfs/dbraw/zinc/38/57/85/986385785.db2.gz JHMGHJFBFCJRBD-AWEZNQCLSA-N 0 2 382.485 3.270 20 0 GGADLN C[C@@H](C(=O)N1CCSc2ccccc21)[N@H+]1CCc2cc(C(=O)[O-])ccc2C1 ZINC001589364566 986385795 /nfs/dbraw/zinc/38/57/95/986385795.db2.gz JHMGHJFBFCJRBD-AWEZNQCLSA-N 0 2 382.485 3.270 20 0 GGADLN C[C@@H]1CN(c2cccc(Cl)c2)CC[N@@H+]1CC(=O)Nc1ccccc1C(=O)[O-] ZINC001594575304 986410782 /nfs/dbraw/zinc/41/07/82/986410782.db2.gz KGRQNYBAGTYDDP-CQSZACIVSA-N 0 2 387.867 3.187 20 0 GGADLN C[C@@H]1CN(c2cccc(Cl)c2)CC[N@H+]1CC(=O)Nc1ccccc1C(=O)[O-] ZINC001594575304 986410784 /nfs/dbraw/zinc/41/07/84/986410784.db2.gz KGRQNYBAGTYDDP-CQSZACIVSA-N 0 2 387.867 3.187 20 0 GGADLN C[C@H](C(=O)N1c2ccccc2CC[C@H]1C)[N@@H+]1CCOc2cc(C(=O)[O-])ccc2C1 ZINC001589373396 986421199 /nfs/dbraw/zinc/42/11/99/986421199.db2.gz COVKTEOYXJZIQF-HZPDHXFCSA-N 0 2 394.471 3.336 20 0 GGADLN C[C@H](C(=O)N1c2ccccc2CC[C@H]1C)[N@H+]1CCOc2cc(C(=O)[O-])ccc2C1 ZINC001589373396 986421203 /nfs/dbraw/zinc/42/12/03/986421203.db2.gz COVKTEOYXJZIQF-HZPDHXFCSA-N 0 2 394.471 3.336 20 0 GGADLN CCOc1ccc([C@H]2CCCN2C(=O)C[NH2+][C@@](C)(C(=O)[O-])c2ccccc2)cc1 ZINC001597081617 986625913 /nfs/dbraw/zinc/62/59/13/986625913.db2.gz MHVMXBWNEUSCQM-NFBKMPQASA-N 0 2 396.487 3.338 20 0 GGADLN CCOc1ccc([C@@H]2CCCN2C(=O)C[NH2+][C@@](C)(C(=O)[O-])c2ccccc2)cc1 ZINC001597081619 986626302 /nfs/dbraw/zinc/62/63/02/986626302.db2.gz MHVMXBWNEUSCQM-NZQKXSOJSA-N 0 2 396.487 3.338 20 0 GGADLN CCOc1ccc(C[NH+]2CCN([C@@H](C)c3ncc(C(=O)[O-])s3)CC2)cc1 ZINC001597101744 986720033 /nfs/dbraw/zinc/72/00/33/986720033.db2.gz CDISSWIHVYQKHD-AWEZNQCLSA-N 0 2 375.494 3.119 20 0 GGADLN C[C@H](C(=O)Nc1ccc(F)cc1Cl)[N@@H+]1CC[C@@](C(=O)[O-])(C(F)(F)F)C1 ZINC001589435038 986742381 /nfs/dbraw/zinc/74/23/81/986742381.db2.gz DTWZWRXJFBXNMZ-XLKFXECMSA-N 0 2 382.741 3.145 20 0 GGADLN C[C@H](C(=O)Nc1ccc(F)cc1Cl)[N@H+]1CC[C@@](C(=O)[O-])(C(F)(F)F)C1 ZINC001589435038 986742392 /nfs/dbraw/zinc/74/23/92/986742392.db2.gz DTWZWRXJFBXNMZ-XLKFXECMSA-N 0 2 382.741 3.145 20 0 GGADLN C[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)[N@H+](C)Cc1ccc(C(=O)[O-])cn1 ZINC001589439195 986770493 /nfs/dbraw/zinc/77/04/93/986770493.db2.gz FQRBKLFOJNNZGK-LLVKDONJSA-N 0 2 381.354 3.258 20 0 GGADLN C[C@H](C(=O)Nc1cccc(C(F)(F)F)c1)[N@@H+](C)Cc1ccc(C(=O)[O-])cn1 ZINC001589439195 986770503 /nfs/dbraw/zinc/77/05/03/986770503.db2.gz FQRBKLFOJNNZGK-LLVKDONJSA-N 0 2 381.354 3.258 20 0 GGADLN C[C@H](C(=O)Nc1ccccc1Cl)[N@@H+]1CC[C@H](c2ncc(C(=O)[O-])s2)C1 ZINC001589443859 986792534 /nfs/dbraw/zinc/79/25/34/986792534.db2.gz CNXOJSLSRMKYTA-MNOVXSKESA-N 0 2 379.869 3.311 20 0 GGADLN C[C@H](C(=O)Nc1ccccc1Cl)[N@H+]1CC[C@H](c2ncc(C(=O)[O-])s2)C1 ZINC001589443859 986792545 /nfs/dbraw/zinc/79/25/45/986792545.db2.gz CNXOJSLSRMKYTA-MNOVXSKESA-N 0 2 379.869 3.311 20 0 GGADLN C[C@H](C(=O)Nc1ccccc1C(F)(F)F)[N@H+](C)Cc1ccc(C(=O)[O-])cn1 ZINC001589445616 986814115 /nfs/dbraw/zinc/81/41/15/986814115.db2.gz TXGAVKHOLHCYLG-LLVKDONJSA-N 0 2 381.354 3.258 20 0 GGADLN C[C@H](C(=O)Nc1ccccc1C(F)(F)F)[N@@H+](C)Cc1ccc(C(=O)[O-])cn1 ZINC001589445616 986814123 /nfs/dbraw/zinc/81/41/23/986814123.db2.gz TXGAVKHOLHCYLG-LLVKDONJSA-N 0 2 381.354 3.258 20 0 GGADLN CCOc1ccccc1C[N@@H+]1CCN(C(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)[C@H](C)C1 ZINC001597172014 986999445 /nfs/dbraw/zinc/99/94/45/986999445.db2.gz BFHAKELGOIELRN-KZNAEPCWSA-N 0 2 388.508 3.009 20 0 GGADLN CCOc1ccccc1C[N@H+]1CCN(C(=O)[C@H]2CC[C@H](C(=O)[O-])CC2)[C@H](C)C1 ZINC001597172014 986999455 /nfs/dbraw/zinc/99/94/55/986999455.db2.gz BFHAKELGOIELRN-KZNAEPCWSA-N 0 2 388.508 3.009 20 0 GGADLN CCOc1ccccc1C[N@@H+]1CCN(C(=O)[C@H]2CCCC[C@H]2C(=O)[O-])[C@@H](C)C1 ZINC001597173107 987012929 /nfs/dbraw/zinc/01/29/29/987012929.db2.gz YQTFWDATZMCIFF-YTQUADARSA-N 0 2 388.508 3.009 20 0 GGADLN CCOc1ccccc1C[N@H+]1CCN(C(=O)[C@H]2CCCC[C@H]2C(=O)[O-])[C@@H](C)C1 ZINC001597173107 987012941 /nfs/dbraw/zinc/01/29/41/987012941.db2.gz YQTFWDATZMCIFF-YTQUADARSA-N 0 2 388.508 3.009 20 0 GGADLN C[C@@H](C(=O)[O-])c1ccc(NC(=O)N2CC[NH+](CCOc3ccccc3)CC2)cc1 ZINC001589511090 987138160 /nfs/dbraw/zinc/13/81/60/987138160.db2.gz YSRRIIJOHFQXFO-QGZVFWFLSA-N 0 2 397.475 3.103 20 0 GGADLN CC(C)(C(=O)[O-])[C@@H](NC(=O)NCCCCNc1cccc[nH+]1)c1ccccc1 ZINC001589592826 987404041 /nfs/dbraw/zinc/40/40/41/987404041.db2.gz CQAOYOLMISUFNM-SFHVURJKSA-N 0 2 384.480 3.425 20 0 GGADLN CC(C)(C(=O)[O-])[C@H]1CCC[N@H+](CN2Cc3c(cccc3Br)C2=O)C1 ZINC001589616200 987476208 /nfs/dbraw/zinc/47/62/08/987476208.db2.gz MYBHKRRTRXOGCL-LBPRGKRZSA-N 0 2 395.297 3.185 20 0 GGADLN CC(C)(C(=O)[O-])[C@H]1CCC[N@@H+](CN2Cc3c(cccc3Br)C2=O)C1 ZINC001589616200 987476209 /nfs/dbraw/zinc/47/62/09/987476209.db2.gz MYBHKRRTRXOGCL-LBPRGKRZSA-N 0 2 395.297 3.185 20 0 GGADLN CC(C)(C(=O)[O-])c1csc(NC(=O)c2ccc(NCCn3cc[nH+]c3)cc2)n1 ZINC001589656845 987623703 /nfs/dbraw/zinc/62/37/03/987623703.db2.gz ASOINKDJICOHJR-UHFFFAOYSA-N 0 2 399.476 3.066 20 0 GGADLN CCc1cc(NC[C@H](Oc2ccc(Br)cc2)C(=O)[O-])nc(CC)[nH+]1 ZINC001597483065 987984123 /nfs/dbraw/zinc/98/41/23/987984123.db2.gz FSJQJZXHUNVVAG-AWEZNQCLSA-N 0 2 394.269 3.308 20 0 GGADLN CC(C)(C)CCNC(=O)C[NH2+][C@@](C)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001589776681 988136478 /nfs/dbraw/zinc/13/64/78/988136478.db2.gz BIJAYKRKWWXOSS-QGZVFWFLSA-N 0 2 375.296 3.435 20 0 GGADLN CCc1ccc(CNC(=O)C[NH2+][C@H](C(=O)[O-])c2ccc(OC)c(Cl)c2)s1 ZINC001597527349 988174491 /nfs/dbraw/zinc/17/44/91/988174491.db2.gz IMYCDCFHIIDOOH-KRWDZBQOSA-N 0 2 396.896 3.004 20 0 GGADLN CCc1cccc(NC(=O)C[NH2+][C@H](C(=O)[O-])c2ccc(Br)cc2)c1 ZINC001597594979 988437184 /nfs/dbraw/zinc/43/71/84/988437184.db2.gz DJHUUGIRIXWMEA-KRWDZBQOSA-N 0 2 391.265 3.366 20 0 GGADLN CCc1cccc(NC(=O)C[NH2+][C@@H](C(=O)[O-])c2ccc(Br)cc2)c1 ZINC001597594980 988437277 /nfs/dbraw/zinc/43/72/77/988437277.db2.gz DJHUUGIRIXWMEA-QGZVFWFLSA-N 0 2 391.265 3.366 20 0 GGADLN CSc1cccc(NC(=O)C[N@@H+]2CCN(c3ccc(C(=O)[O-])cc3)C[C@@H]2C)c1 ZINC001599824730 988578505 /nfs/dbraw/zinc/57/85/05/988578505.db2.gz MWYYDNKMHCRXKK-HNNXBMFYSA-N 0 2 399.516 3.256 20 0 GGADLN CSc1cccc(NC(=O)C[N@H+]2CCN(c3ccc(C(=O)[O-])cc3)C[C@@H]2C)c1 ZINC001599824730 988578512 /nfs/dbraw/zinc/57/85/12/988578512.db2.gz MWYYDNKMHCRXKK-HNNXBMFYSA-N 0 2 399.516 3.256 20 0 GGADLN CC(C)(C)OC(=O)C[N@H+](CCOc1ccccc1C(F)(F)F)CCC(=O)[O-] ZINC001589892914 988590121 /nfs/dbraw/zinc/59/01/21/988590121.db2.gz YNEBMECEESMZOW-UHFFFAOYSA-N 0 2 391.386 3.203 20 0 GGADLN CC(C)(C)OC(=O)C[N@@H+](CCOc1ccccc1C(F)(F)F)CCC(=O)[O-] ZINC001589892914 988590128 /nfs/dbraw/zinc/59/01/28/988590128.db2.gz YNEBMECEESMZOW-UHFFFAOYSA-N 0 2 391.386 3.203 20 0 GGADLN CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1C[N@@H+]1Cc2ccc(C(=O)[O-])cc2C1 ZINC001589929472 988685768 /nfs/dbraw/zinc/68/57/68/988685768.db2.gz BTXAPEBKHYAXAB-OAHLLOKOSA-N 0 2 382.407 3.345 20 0 GGADLN CC(C)(C)OC(=O)N1CC(F)(F)C[C@@H]1C[N@H+]1Cc2ccc(C(=O)[O-])cc2C1 ZINC001589929472 988685770 /nfs/dbraw/zinc/68/57/70/988685770.db2.gz BTXAPEBKHYAXAB-OAHLLOKOSA-N 0 2 382.407 3.345 20 0 GGADLN CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1C[N@@H+]1Cc2ccc(C(=O)[O-])cc2C1 ZINC001589929471 988685941 /nfs/dbraw/zinc/68/59/41/988685941.db2.gz BTXAPEBKHYAXAB-HNNXBMFYSA-N 0 2 382.407 3.345 20 0 GGADLN CC(C)(C)OC(=O)N1CC(F)(F)C[C@H]1C[N@H+]1Cc2ccc(C(=O)[O-])cc2C1 ZINC001589929471 988685942 /nfs/dbraw/zinc/68/59/42/988685942.db2.gz BTXAPEBKHYAXAB-HNNXBMFYSA-N 0 2 382.407 3.345 20 0 GGADLN C[C@@H](NC(=O)C[NH2+][C@H](C(=O)[O-])c1ccc(Br)cc1)c1ccccc1 ZINC001599838897 988790030 /nfs/dbraw/zinc/79/00/30/988790030.db2.gz CXBPYEUGSHHHEA-PXAZEXFGSA-N 0 2 391.265 3.042 20 0 GGADLN CCc1nc2c(s1)[C@@H]([N@H+](C)CN1Cc3ccc(C(=O)[O-])cc3C1=O)CCC2 ZINC001597691425 988883368 /nfs/dbraw/zinc/88/33/68/988883368.db2.gz RZHQGNSMIWYEEL-INIZCTEOSA-N 0 2 385.489 3.326 20 0 GGADLN CCc1nc2c(s1)[C@@H]([N@@H+](C)CN1Cc3ccc(C(=O)[O-])cc3C1=O)CCC2 ZINC001597691425 988883387 /nfs/dbraw/zinc/88/33/87/988883387.db2.gz RZHQGNSMIWYEEL-INIZCTEOSA-N 0 2 385.489 3.326 20 0 GGADLN C[C@@H]1CN(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)C[C@H]1CC(=O)[O-] ZINC001599859890 989150946 /nfs/dbraw/zinc/15/09/46/989150946.db2.gz WTBVZVDEAQVVCP-GDBMZVCRSA-N 0 2 382.464 3.461 20 0 GGADLN C[C@@H]1CN(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)C[C@H]1CC(=O)[O-] ZINC001599861174 989169435 /nfs/dbraw/zinc/16/94/35/989169435.db2.gz RWHNFNKFSCUPPS-GDBMZVCRSA-N 0 2 380.448 3.176 20 0 GGADLN CCc1oc(C[NH+]2CCN(Cc3ccc(O)c(Cl)c3)CC2)cc1C(=O)[O-] ZINC001597798672 989370242 /nfs/dbraw/zinc/37/02/42/989370242.db2.gz HTGGLUHSNHIWFR-UHFFFAOYSA-N 0 2 378.856 3.217 20 0 GGADLN CCc1oc(C[NH+]2CCN([C@H](CO)c3ccc(Cl)cc3)CC2)cc1C(=O)[O-] ZINC001597799001 989376381 /nfs/dbraw/zinc/37/63/81/989376381.db2.gz KRYLMPNOCZFXPZ-GOSISDBHSA-N 0 2 392.883 3.045 20 0 GGADLN CCn1c(-c2ccncc2)nn(C[N@@H+]2CCC[C@H](C(C)(C)C(=O)[O-])C2)c1=S ZINC001597827967 989488889 /nfs/dbraw/zinc/48/88/89/989488889.db2.gz ZAXORKYXTYICSD-HNNXBMFYSA-N 0 2 389.525 3.276 20 0 GGADLN CCn1c(-c2ccncc2)nn(C[N@H+]2CCC[C@H](C(C)(C)C(=O)[O-])C2)c1=S ZINC001597827967 989488893 /nfs/dbraw/zinc/48/88/93/989488893.db2.gz ZAXORKYXTYICSD-HNNXBMFYSA-N 0 2 389.525 3.276 20 0 GGADLN CCn1c(-c2ccncc2)nn(C[N@@H+]2CCC[C@@H](C(C)(C)C(=O)[O-])C2)c1=S ZINC001597827969 989489043 /nfs/dbraw/zinc/48/90/43/989489043.db2.gz ZAXORKYXTYICSD-OAHLLOKOSA-N 0 2 389.525 3.276 20 0 GGADLN CCn1c(-c2ccncc2)nn(C[N@H+]2CCC[C@@H](C(C)(C)C(=O)[O-])C2)c1=S ZINC001597827969 989489045 /nfs/dbraw/zinc/48/90/45/989489045.db2.gz ZAXORKYXTYICSD-OAHLLOKOSA-N 0 2 389.525 3.276 20 0 GGADLN CC(C)(C)OC(=O)NC[C@@]12CC[C@@H]1CCC[N@@H+]2Cc1nc(C(=O)[O-])cs1 ZINC001590168956 989490615 /nfs/dbraw/zinc/49/06/15/989490615.db2.gz JOEAUJABVDCSAW-SGTLLEGYSA-N 0 2 381.498 3.111 20 0 GGADLN CC(C)(C)OC(=O)NC[C@@]12CC[C@@H]1CCC[N@H+]2Cc1nc(C(=O)[O-])cs1 ZINC001590168956 989490616 /nfs/dbraw/zinc/49/06/16/989490616.db2.gz JOEAUJABVDCSAW-SGTLLEGYSA-N 0 2 381.498 3.111 20 0 GGADLN CCn1c([C@H](C)[N@H+](C)Cc2ccccc2)nnc1N1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC001597839827 989532802 /nfs/dbraw/zinc/53/28/02/989532802.db2.gz JALSUANEEDFJRQ-RYRKJORJSA-N 0 2 385.512 3.038 20 0 GGADLN CCn1c([C@H](C)[N@@H+](C)Cc2ccccc2)nnc1N1CC[C@H](C(=O)[O-])[C@H](C)C1 ZINC001597839827 989532809 /nfs/dbraw/zinc/53/28/09/989532809.db2.gz JALSUANEEDFJRQ-RYRKJORJSA-N 0 2 385.512 3.038 20 0 GGADLN CC(C)(C)OC(=O)N[C@@H]1CN(c2ccc(C(=O)[O-])c[nH+]2)C[C@H]1c1ccccc1 ZINC001590267678 989665275 /nfs/dbraw/zinc/66/52/75/989665275.db2.gz JVZGGPQITVUKSM-DLBZAZTESA-N 0 2 383.448 3.277 20 0 GGADLN CC(C)(C)c1ccc(CCNC(=O)C[NH2+][C@](C)(C(=O)[O-])c2ccccc2)cc1 ZINC001590484906 990081597 /nfs/dbraw/zinc/08/15/97/990081597.db2.gz IRICZJXHGDOZKL-QHCPKHFHSA-N 0 2 382.504 3.232 20 0 GGADLN CC(C)(C)c1ccccc1NC(=O)C[NH2+][C@@H](C(=O)[O-])c1ccc2c(c1)CCO2 ZINC001590505214 990119514 /nfs/dbraw/zinc/11/95/14/990119514.db2.gz GLROENUCYHAQHL-HXUWFJFHSA-N 0 2 382.460 3.273 20 0 GGADLN CN(C(=O)[C@H]1CCc2[nH+]ccn2C1)[C@@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC001598004436 990150567 /nfs/dbraw/zinc/15/05/67/990150567.db2.gz ZPMKGXMHUFQCPM-ZUZCIYMTSA-N 0 2 382.247 3.037 20 0 GGADLN CN(C(=O)C[NH+]1CCC(C(=O)c2ccc(F)cc2)CC1)c1ccccc1C(=O)[O-] ZINC001598023345 990221688 /nfs/dbraw/zinc/22/16/88/990221688.db2.gz MFCNACFUABEMGK-UHFFFAOYSA-N 0 2 398.434 3.082 20 0 GGADLN CC(C)(CCNC(=O)[C@H](c1cccc(Br)c1)[NH+]1CCCC1)C(=O)[O-] ZINC001590670464 990371182 /nfs/dbraw/zinc/37/11/82/990371182.db2.gz XXHVUAGUJCPQHI-HNNXBMFYSA-N 0 2 397.313 3.203 20 0 GGADLN C[NH+](C)Cc1cc(NS(=O)(=O)c2cccc(F)c2C(=O)[O-])ccc1Cl ZINC001598249286 991029543 /nfs/dbraw/zinc/02/95/43/991029543.db2.gz ZKUIAGIFCLHBRB-UHFFFAOYSA-N 0 2 386.832 3.040 20 0 GGADLN COc1ccccc1-c1noc([C@@H](C)[NH2+][C@@H](Cc2ccc(F)cc2)C(=O)[O-])n1 ZINC001599696181 991152385 /nfs/dbraw/zinc/15/23/85/991152385.db2.gz PSBRSDZCKKZVBG-WBMJQRKESA-N 0 2 385.395 3.231 20 0 GGADLN COc1ccccc1[C@@H](C)N(C)C(=O)C[NH2+][C@@H](C(=O)[O-])c1ccc(C)c(C)c1 ZINC001599696768 991159786 /nfs/dbraw/zinc/15/97/86/991159786.db2.gz AXZLWQMDIPAFRZ-IIBYNOLFSA-N 0 2 384.476 3.247 20 0 GGADLN CN(C)c1cc(C(=O)[O-])ccc1NC(=O)N[C@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001598298238 991231798 /nfs/dbraw/zinc/23/17/98/991231798.db2.gz IVHIYFHEHRDXJB-GOSISDBHSA-N 0 2 393.447 3.210 20 0 GGADLN COc1ccccc1C[NH+]1CCN(C(=O)Nc2cc(C(=O)[O-])c(C)cc2C)CC1 ZINC001599711123 991371566 /nfs/dbraw/zinc/37/15/66/991371566.db2.gz HCCPJEAQGLHTKL-UHFFFAOYSA-N 0 2 397.475 3.360 20 0 GGADLN COc1ccccc1NC(=O)C[NH2+][C@H](C(=O)[O-])c1cccc(C(F)(F)F)c1 ZINC001599714228 991425322 /nfs/dbraw/zinc/42/53/22/991425322.db2.gz FABFOGQJUXWASH-INIZCTEOSA-N 0 2 382.338 3.068 20 0 GGADLN COc1ccccc1O[C@H]1CCC[N@H+](CC(=O)Nc2cc(C(=O)[O-])ccc2C)C1 ZINC001599714355 991428027 /nfs/dbraw/zinc/42/80/27/991428027.db2.gz FAJUCSJUDCVHIK-KRWDZBQOSA-N 0 2 398.459 3.184 20 0 GGADLN COc1ccccc1O[C@H]1CCC[N@@H+](CC(=O)Nc2cc(C(=O)[O-])ccc2C)C1 ZINC001599714355 991428033 /nfs/dbraw/zinc/42/80/33/991428033.db2.gz FAJUCSJUDCVHIK-KRWDZBQOSA-N 0 2 398.459 3.184 20 0 GGADLN CN(C)c1nc(C(F)(F)F)ccc1C[N@@H+]1CCOc2cc(C(=O)[O-])ccc2C1 ZINC001598349062 991442867 /nfs/dbraw/zinc/44/28/67/991442867.db2.gz UENZPLFPFTYVIY-UHFFFAOYSA-N 0 2 395.381 3.259 20 0 GGADLN CN(C)c1nc(C(F)(F)F)ccc1C[N@H+]1CCOc2cc(C(=O)[O-])ccc2C1 ZINC001598349062 991442871 /nfs/dbraw/zinc/44/28/71/991442871.db2.gz UENZPLFPFTYVIY-UHFFFAOYSA-N 0 2 395.381 3.259 20 0 GGADLN COc1nc(C[N@@H+]2Cc3cccc(Br)c3C[C@@H]2C(=O)[O-])ccc1C ZINC001599730241 991699766 /nfs/dbraw/zinc/69/97/66/991699766.db2.gz KZPWPJPTBDEGGO-MRXNPFEDSA-N 0 2 391.265 3.173 20 0 GGADLN COc1nc(C[N@H+]2Cc3cccc(Br)c3C[C@@H]2C(=O)[O-])ccc1C ZINC001599730241 991699770 /nfs/dbraw/zinc/69/97/70/991699770.db2.gz KZPWPJPTBDEGGO-MRXNPFEDSA-N 0 2 391.265 3.173 20 0 GGADLN CC(C)C[C@@H](C(=O)N[C@@H](C(=O)[O-])c1ccc(Br)cc1)n1cc[nH+]c1 ZINC001591117450 991776206 /nfs/dbraw/zinc/77/62/06/991776206.db2.gz BCQUHPUBZDZFSG-LSDHHAIUSA-N 0 2 394.269 3.175 20 0 GGADLN CC(C)C[C@H](C(=O)N1C[C@@H](c2ccc(F)cc2F)[C@H](C(=O)[O-])C1)n1cc[nH+]c1 ZINC001591117862 991778803 /nfs/dbraw/zinc/77/88/03/991778803.db2.gz HRQOQYSRAVBJDD-LZLYRXPVSA-N 0 2 391.418 3.075 20 0 GGADLN CC(C)C[C@H](C(=O)N1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)[O-])C1)n1cc[nH+]c1 ZINC001591117877 991779628 /nfs/dbraw/zinc/77/96/28/991779628.db2.gz HVZMHVMQEBSLND-RCCFBDPRSA-N 0 2 389.883 3.451 20 0 GGADLN C[N@H+](C[C@@H](O)CCC1(O)CCC1)[C@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC001598432724 991802147 /nfs/dbraw/zinc/80/21/47/991802147.db2.gz JRWISWVSOZJXBL-NHYWBVRUSA-N 0 2 376.280 3.107 20 0 GGADLN C[N@@H+](C[C@@H](O)CCC1(O)CCC1)[C@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC001598432724 991802162 /nfs/dbraw/zinc/80/21/62/991802162.db2.gz JRWISWVSOZJXBL-NHYWBVRUSA-N 0 2 376.280 3.107 20 0 GGADLN COc1nsc(C[NH+]2CCC(Cc3ncc(C(=O)[O-])s3)CC2)c1Cl ZINC001599740004 991833985 /nfs/dbraw/zinc/83/39/85/991833985.db2.gz FDGDUJDPOXQEOZ-UHFFFAOYSA-N 0 2 387.914 3.415 20 0 GGADLN COc1nsc(C[N@H+](C)Cc2csc(Br)c2)c1C(=O)[O-] ZINC001599740706 991849942 /nfs/dbraw/zinc/84/99/42/991849942.db2.gz CYYIBJPYFPQEJO-UHFFFAOYSA-N 0 2 377.285 3.306 20 0 GGADLN COc1nsc(C[N@@H+](C)Cc2csc(Br)c2)c1C(=O)[O-] ZINC001599740706 991849950 /nfs/dbraw/zinc/84/99/50/991849950.db2.gz CYYIBJPYFPQEJO-UHFFFAOYSA-N 0 2 377.285 3.306 20 0 GGADLN CC(C)C[C@@H]1C[N@H+](Cc2ccc(Cl)cc2)CCN1C(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC001591211217 992054375 /nfs/dbraw/zinc/05/43/75/992054375.db2.gz WQAAFRRXKXXKEH-FGTMMUONSA-N 0 2 378.900 3.120 20 0 GGADLN CC(C)C[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2)CCN1C(=O)[C@H]1C[C@H]1C(=O)[O-] ZINC001591211217 992054387 /nfs/dbraw/zinc/05/43/87/992054387.db2.gz WQAAFRRXKXXKEH-FGTMMUONSA-N 0 2 378.900 3.120 20 0 GGADLN CC(C)CO[C@@H]1CC[N@H+](CC(=O)Nc2sc3c(c2C(=O)[O-])CC[C@H](C)C3)C1 ZINC001591390797 992445548 /nfs/dbraw/zinc/44/55/48/992445548.db2.gz LOYMFCGMRZUFIH-UONOGXRCSA-N 0 2 394.537 3.257 20 0 GGADLN CC(C)CO[C@@H]1CC[N@@H+](CC(=O)Nc2sc3c(c2C(=O)[O-])CC[C@H](C)C3)C1 ZINC001591390797 992445551 /nfs/dbraw/zinc/44/55/51/992445551.db2.gz LOYMFCGMRZUFIH-UONOGXRCSA-N 0 2 394.537 3.257 20 0 GGADLN CC(C)C[C@@H](C(=O)[O-])[N@H+](C)CC(=O)Nc1ccc(Br)cc1Cl ZINC001591428881 992519040 /nfs/dbraw/zinc/51/90/40/992519040.db2.gz RRJALFWPFSWIBP-ZDUSSCGKSA-N 0 2 391.693 3.472 20 0 GGADLN CC(C)C[C@@H](C(=O)[O-])[N@@H+](C)CC(=O)Nc1ccc(Br)cc1Cl ZINC001591428881 992519047 /nfs/dbraw/zinc/51/90/47/992519047.db2.gz RRJALFWPFSWIBP-ZDUSSCGKSA-N 0 2 391.693 3.472 20 0 GGADLN C[N@H+](Cc1ccc(C(=O)[O-])cn1)[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC001598515684 992614327 /nfs/dbraw/zinc/61/43/27/992614327.db2.gz PBOXONDVVZPZPE-MRXNPFEDSA-N 0 2 394.258 3.324 20 0 GGADLN C[N@@H+](Cc1ccc(C(=O)[O-])cn1)[C@@H]1CCN(c2ccc(Cl)cc2Cl)C1=O ZINC001598515684 992614329 /nfs/dbraw/zinc/61/43/29/992614329.db2.gz PBOXONDVVZPZPE-MRXNPFEDSA-N 0 2 394.258 3.324 20 0 GGADLN CC(C)[N@H+](Cc1cnc(C(=O)[O-])cn1)Cc1cc(Br)ccc1F ZINC001591604338 992843001 /nfs/dbraw/zinc/84/30/01/992843001.db2.gz PPQVHSYNYCDNNB-UHFFFAOYSA-N 0 2 382.233 3.487 20 0 GGADLN CC(C)[N@@H+](Cc1cnc(C(=O)[O-])cn1)Cc1cc(Br)ccc1F ZINC001591604338 992843006 /nfs/dbraw/zinc/84/30/06/992843006.db2.gz PPQVHSYNYCDNNB-UHFFFAOYSA-N 0 2 382.233 3.487 20 0 GGADLN C[N@@H+](Cc1nc(C(=O)[O-])cs1)C[C@@H](O)COc1cc(Cl)cc(Cl)c1 ZINC001598536904 992851092 /nfs/dbraw/zinc/85/10/92/992851092.db2.gz RRPRWZJXHJHUNN-LLVKDONJSA-N 0 2 391.276 3.020 20 0 GGADLN C[N@H+](Cc1nc(C(=O)[O-])cs1)C[C@@H](O)COc1cc(Cl)cc(Cl)c1 ZINC001598536904 992851093 /nfs/dbraw/zinc/85/10/93/992851093.db2.gz RRPRWZJXHJHUNN-LLVKDONJSA-N 0 2 391.276 3.020 20 0 GGADLN C[N@@H+]1CC[C@@H](NC(=O)Nc2cccc(C(=O)[O-])c2)[C@@H]1c1ccc(F)c(F)c1 ZINC001598585073 993370359 /nfs/dbraw/zinc/37/03/59/993370359.db2.gz CKVYJMIVKRKPFP-SJORKVTESA-N 0 2 375.375 3.230 20 0 GGADLN C[N@H+]1CC[C@@H](NC(=O)Nc2cccc(C(=O)[O-])c2)[C@@H]1c1ccc(F)c(F)c1 ZINC001598585073 993370365 /nfs/dbraw/zinc/37/03/65/993370365.db2.gz CKVYJMIVKRKPFP-SJORKVTESA-N 0 2 375.375 3.230 20 0 GGADLN C[N@@H+]1CC[C@@H](NC(=O)NCC2(C(=O)[O-])CCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001598586406 993389441 /nfs/dbraw/zinc/38/94/41/993389441.db2.gz OCZKDRFEWFBUIO-CVEARBPZSA-N 0 2 397.878 3.169 20 0 GGADLN C[N@H+]1CC[C@@H](NC(=O)NCC2(C(=O)[O-])CCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001598586406 993389447 /nfs/dbraw/zinc/38/94/47/993389447.db2.gz OCZKDRFEWFBUIO-CVEARBPZSA-N 0 2 397.878 3.169 20 0 GGADLN C[N@@H+]1CC[C@H](NC(=O)Nc2cc(C(=O)[O-])cs2)[C@@H]1c1ccc(F)c(F)c1 ZINC001598586681 993394019 /nfs/dbraw/zinc/39/40/19/993394019.db2.gz QGLNPPJJXNBCRP-ZFWWWQNUSA-N 0 2 381.404 3.291 20 0 GGADLN C[N@H+]1CC[C@H](NC(=O)Nc2cc(C(=O)[O-])cs2)[C@@H]1c1ccc(F)c(F)c1 ZINC001598586681 993394024 /nfs/dbraw/zinc/39/40/24/993394024.db2.gz QGLNPPJJXNBCRP-ZFWWWQNUSA-N 0 2 381.404 3.291 20 0 GGADLN COc1ccc(OC2CC[NH+](CC(=O)c3[nH]c(C)c(C(=O)[O-])c3C)CC2)cc1 ZINC001599606589 993894462 /nfs/dbraw/zinc/89/44/62/993894462.db2.gz IXIMDIZMFWNUEX-UHFFFAOYSA-N 0 2 386.448 3.064 20 0 GGADLN C[C@@H](NC(=O)[C@H]1CC[C@@H](Nc2cccc[nH+]2)CC1)c1ccc(OCC(=O)[O-])cc1 ZINC001593142054 993934845 /nfs/dbraw/zinc/93/48/45/993934845.db2.gz PQQRNPJEZYJDLU-NXHRZFHOSA-N 0 2 397.475 3.393 20 0 GGADLN C[C@@H]([NH2+][C@@H](C)c1ccc(-n2cncn2)cc1Cl)c1ncc(C(=O)[O-])s1 ZINC001593196724 994156613 /nfs/dbraw/zinc/15/66/13/994156613.db2.gz IKPAKRZNDXKKLO-VHSXEESVSA-N 0 2 377.857 3.487 20 0 GGADLN C[C@@H]([NH2+][C@](C)(CO)c1cccc(Br)c1)c1ncc(C(=O)[O-])s1 ZINC001593198519 994173363 /nfs/dbraw/zinc/17/33/63/994173363.db2.gz SBTGHHLNFATKQX-RFAUZJTJSA-N 0 2 385.283 3.162 20 0 GGADLN C[C@H]([NH2+][C@](C)(CO)c1cccc(Br)c1)c1ncc(C(=O)[O-])s1 ZINC001593198517 994173539 /nfs/dbraw/zinc/17/35/39/994173539.db2.gz SBTGHHLNFATKQX-BJOHPYRUSA-N 0 2 385.283 3.162 20 0 GGADLN C[C@@H](NC(=O)[C@H](C)[NH2+][C@H](C)c1ncc(C(=O)[O-])s1)c1ccc(Cl)cc1 ZINC001593203797 994191028 /nfs/dbraw/zinc/19/10/28/994191028.db2.gz HVOWSMDHHCHFNC-OUAUKWLOSA-N 0 2 381.885 3.411 20 0 GGADLN C[C@H]([NH2+][C@H](C[C@H]1CCCO1)C(=O)[O-])c1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC001593204022 994194343 /nfs/dbraw/zinc/19/43/43/994194343.db2.gz LDLLAVGTDZKSHH-ZLKJLUDKSA-N 0 2 399.369 3.428 20 0 GGADLN C[C@H]([NH2+][C@@H](C[C@H]1CCCO1)C(=O)[O-])c1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC001593204020 994194619 /nfs/dbraw/zinc/19/46/19/994194619.db2.gz LDLLAVGTDZKSHH-GDLCADMTSA-N 0 2 399.369 3.428 20 0 GGADLN COc1ccc2c(c1)OCC[N@H+]([C@@H](C(=O)[O-])c1ccccc1Br)C2 ZINC001599629443 994196025 /nfs/dbraw/zinc/19/60/25/994196025.db2.gz CXLMMTIPHTZEHB-QGZVFWFLSA-N 0 2 392.249 3.478 20 0 GGADLN COc1ccc2c(c1)OCC[N@@H+]([C@@H](C(=O)[O-])c1ccccc1Br)C2 ZINC001599629443 994196030 /nfs/dbraw/zinc/19/60/30/994196030.db2.gz CXLMMTIPHTZEHB-QGZVFWFLSA-N 0 2 392.249 3.478 20 0 GGADLN C[C@@H]([NH2+][C@H](C)c1ncc(C(=O)[O-])s1)C(=O)Nc1ccc(N2CCCC2)cc1 ZINC001593204115 994196684 /nfs/dbraw/zinc/19/66/84/994196684.db2.gz MHPFOJRMTGPQBX-CHWSQXEVSA-N 0 2 388.493 3.119 20 0 GGADLN COc1ccc2c(c1)C[N@H+]([C@H](C(=O)[O-])c1ccccc1Br)CCO2 ZINC001599630775 994214410 /nfs/dbraw/zinc/21/44/10/994214410.db2.gz QQJWXOHSSRJXNL-KRWDZBQOSA-N 0 2 392.249 3.478 20 0 GGADLN COc1ccc2c(c1)C[N@@H+]([C@H](C(=O)[O-])c1ccccc1Br)CCO2 ZINC001599630775 994214419 /nfs/dbraw/zinc/21/44/19/994214419.db2.gz QQJWXOHSSRJXNL-KRWDZBQOSA-N 0 2 392.249 3.478 20 0 GGADLN C[C@H]([NH2+]C1(c2ncc(Br)cn2)CCC1)c1cncc(C(=O)[O-])c1 ZINC001593210192 994244326 /nfs/dbraw/zinc/24/43/26/994244326.db2.gz NIYZFQSHPOZPQB-JTQLQIEISA-N 0 2 377.242 3.062 20 0 GGADLN COc1cccc(-c2nc(C[N@@H+]3Cc4cc(O)ccc4C[C@H]3C(=O)[O-])co2)c1 ZINC001599639141 994332686 /nfs/dbraw/zinc/33/26/86/994332686.db2.gz LJZXMMCMUNNFIA-IBGZPJMESA-N 0 2 380.400 3.067 20 0 GGADLN COc1cccc(-c2nc(C[N@H+]3Cc4cc(O)ccc4C[C@H]3C(=O)[O-])co2)c1 ZINC001599639141 994332696 /nfs/dbraw/zinc/33/26/96/994332696.db2.gz LJZXMMCMUNNFIA-IBGZPJMESA-N 0 2 380.400 3.067 20 0 GGADLN COc1cccc(-c2nnc(C[NH2+][C@](C)(Cc3ccc(F)cc3)C(=O)[O-])o2)c1 ZINC001599639401 994336846 /nfs/dbraw/zinc/33/68/46/994336846.db2.gz PQNSINJSTSQDIO-HXUWFJFHSA-N 0 2 385.395 3.060 20 0 GGADLN C[C@H]([NH2+]CC(=O)N[C@@H](c1cccs1)C(C)(C)C)c1ncc(C(=O)[O-])s1 ZINC001593231664 994376683 /nfs/dbraw/zinc/37/66/83/994376683.db2.gz QWSZPQHYZNHHQZ-HZMBPMFUSA-N 0 2 381.523 3.457 20 0 GGADLN COc1cccc([C@@H](C(=O)[O-])[N@@H+]2CCOc3ccc(Br)cc3C2)c1 ZINC001599649546 994475828 /nfs/dbraw/zinc/47/58/28/994475828.db2.gz FQDVMXIPBIYMGO-KRWDZBQOSA-N 0 2 392.249 3.478 20 0 GGADLN COc1cccc([C@@H](C(=O)[O-])[N@H+]2CCOc3ccc(Br)cc3C2)c1 ZINC001599649546 994475832 /nfs/dbraw/zinc/47/58/32/994475832.db2.gz FQDVMXIPBIYMGO-KRWDZBQOSA-N 0 2 392.249 3.478 20 0 GGADLN COc1cccc([C@@](C)(CC(=O)[O-])NC(=O)c2cccc(Cn3cc[nH+]c3)c2)c1 ZINC001599653114 994536771 /nfs/dbraw/zinc/53/67/71/994536771.db2.gz RFTIIUWKAQNELC-JOCHJYFZSA-N 0 2 393.443 3.060 20 0 GGADLN CNC(=O)c1ccc(C[N@H+](C)Cc2coc(-c3ccc(C(=O)[O-])cc3)n2)cc1 ZINC001598657227 994541531 /nfs/dbraw/zinc/54/15/31/994541531.db2.gz ABACUUHJBWLLNU-UHFFFAOYSA-N 0 2 379.416 3.031 20 0 GGADLN CNC(=O)c1ccc(C[N@@H+](C)Cc2coc(-c3ccc(C(=O)[O-])cc3)n2)cc1 ZINC001598657227 994541538 /nfs/dbraw/zinc/54/15/38/994541538.db2.gz ABACUUHJBWLLNU-UHFFFAOYSA-N 0 2 379.416 3.031 20 0 GGADLN COc1cccc([C@@H]2CCC[N@@H+]2Cc2nc(=O)c3c(C)c(C(=O)[O-])sc3[nH]2)c1 ZINC001599665004 994715737 /nfs/dbraw/zinc/71/57/37/994715737.db2.gz HOYMFBHTFNULKE-AWEZNQCLSA-N 0 2 399.472 3.337 20 0 GGADLN COc1cccc([C@@H]2CCC[N@H+]2Cc2nc(=O)c3c(C)c(C(=O)[O-])sc3[nH]2)c1 ZINC001599665004 994715744 /nfs/dbraw/zinc/71/57/44/994715744.db2.gz HOYMFBHTFNULKE-AWEZNQCLSA-N 0 2 399.472 3.337 20 0 GGADLN C[C@H]([NH2+]Cc1nc2cc(C(=O)[O-])ccc2c(=O)[nH]1)c1ccccc1OC(F)F ZINC001593311115 994777841 /nfs/dbraw/zinc/77/78/41/994777841.db2.gz CCTVFOPGKBPNQL-JTQLQIEISA-N 0 2 389.358 3.486 20 0 GGADLN CNc1cc(CNC(=O)Nc2ccc(Br)c(C(=O)[O-])c2C)cc[nH+]1 ZINC001598675917 994843428 /nfs/dbraw/zinc/84/34/28/994843428.db2.gz JQZPQEYUWQETGW-UHFFFAOYSA-N 0 2 393.241 3.214 20 0 GGADLN CNc1cc(CNC(=O)Nc2ccc(N3CCCCC3)c(C(=O)[O-])c2)cc[nH+]1 ZINC001598676552 994854337 /nfs/dbraw/zinc/85/43/37/994854337.db2.gz WYFIMRVINMBKPI-UHFFFAOYSA-N 0 2 383.452 3.134 20 0 GGADLN COc1cccc(Cn2c(NC[C@@H]3[C@H](C(=O)[O-])C3(F)F)[nH+]c3ccccc32)c1 ZINC001599677207 994916398 /nfs/dbraw/zinc/91/63/98/994916398.db2.gz ONSXYEPUXFJZMR-RHSMWYFYSA-N 0 2 387.386 3.471 20 0 GGADLN COC(=O)[C@@H](Cc1ccccc1Br)[NH2+]C1CCC(CC(=O)[O-])CC1 ZINC001598705734 995283998 /nfs/dbraw/zinc/28/39/98/995283998.db2.gz XSWHHSRNDHOLAI-LDZOIKDWSA-N 0 2 398.297 3.156 20 0 GGADLN COC(=O)[C@@H](c1cccc(C(=O)[O-])c1)[N@@H+]1CCC[C@@]2(C1)OCc1ccccc12 ZINC001598711590 995355286 /nfs/dbraw/zinc/35/52/86/995355286.db2.gz HRUBHYPDYUHMEW-KNQAVFIVSA-N 0 2 381.428 3.120 20 0 GGADLN COC(=O)[C@@H](c1cccc(C(=O)[O-])c1)[N@H+]1CCC[C@@]2(C1)OCc1ccccc12 ZINC001598711590 995355291 /nfs/dbraw/zinc/35/52/91/995355291.db2.gz HRUBHYPDYUHMEW-KNQAVFIVSA-N 0 2 381.428 3.120 20 0 GGADLN COC(=O)[C@@H](c1cccc(C(=O)[O-])c1)[N@@H+]1CCC[C@@H](c2cc(C(C)C)n[nH]2)C1 ZINC001598714221 995385295 /nfs/dbraw/zinc/38/52/95/995385295.db2.gz SVGJYCSMXWRXRD-VQIMIIECSA-N 0 2 385.464 3.325 20 0 GGADLN COC(=O)[C@@H](c1cccc(C(=O)[O-])c1)[N@H+]1CCC[C@@H](c2cc(C(C)C)n[nH]2)C1 ZINC001598714221 995385300 /nfs/dbraw/zinc/38/53/00/995385300.db2.gz SVGJYCSMXWRXRD-VQIMIIECSA-N 0 2 385.464 3.325 20 0 GGADLN COC(=O)[C@@H](c1cccc(C(=O)[O-])c1)[N@@H+]1CCC[C@@H](c2cc(C(C)C)[nH]n2)C1 ZINC001598714221 995385308 /nfs/dbraw/zinc/38/53/08/995385308.db2.gz SVGJYCSMXWRXRD-VQIMIIECSA-N 0 2 385.464 3.325 20 0 GGADLN COC(=O)[C@@H](c1cccc(C(=O)[O-])c1)[N@H+]1CCC[C@@H](c2cc(C(C)C)[nH]n2)C1 ZINC001598714221 995385314 /nfs/dbraw/zinc/38/53/14/995385314.db2.gz SVGJYCSMXWRXRD-VQIMIIECSA-N 0 2 385.464 3.325 20 0 GGADLN COC(=O)[C@@H](c1cccc(C(=O)[O-])c1)[N@@H+]1CC[C@@H](c2ccc(OC)c(F)c2)C1 ZINC001598714257 995385914 /nfs/dbraw/zinc/38/59/14/995385914.db2.gz UEPCSEQIZCEXLE-VQIMIIECSA-N 0 2 387.407 3.236 20 0 GGADLN COC(=O)[C@@H](c1cccc(C(=O)[O-])c1)[N@H+]1CC[C@@H](c2ccc(OC)c(F)c2)C1 ZINC001598714257 995385918 /nfs/dbraw/zinc/38/59/18/995385918.db2.gz UEPCSEQIZCEXLE-VQIMIIECSA-N 0 2 387.407 3.236 20 0 GGADLN COC(=O)[C@@H]1C[C@@H](C(=O)[O-])CC[N@@H+]1Cc1ccc(Oc2cccnc2)c(C)c1 ZINC001598755352 995707414 /nfs/dbraw/zinc/70/74/14/995707414.db2.gz DBXQASLQMMUAPP-WMZOPIPTSA-N 0 2 384.432 3.021 20 0 GGADLN COC(=O)[C@@H]1C[C@@H](C(=O)[O-])CC[N@H+]1Cc1ccc(Oc2cccnc2)c(C)c1 ZINC001598755352 995707419 /nfs/dbraw/zinc/70/74/19/995707419.db2.gz DBXQASLQMMUAPP-WMZOPIPTSA-N 0 2 384.432 3.021 20 0 GGADLN COC(=O)[C@@H]1C[C@H](C(=O)[O-])CC[N@@H+]1Cc1ccc(-c2cccc(F)c2F)o1 ZINC001598755512 995709205 /nfs/dbraw/zinc/70/92/05/995709205.db2.gz DSFYGAPAKCPQFH-ABAIWWIYSA-N 0 2 379.359 3.063 20 0 GGADLN COC(=O)[C@@H]1C[C@H](C(=O)[O-])CC[N@H+]1Cc1ccc(-c2cccc(F)c2F)o1 ZINC001598755512 995709210 /nfs/dbraw/zinc/70/92/10/995709210.db2.gz DSFYGAPAKCPQFH-ABAIWWIYSA-N 0 2 379.359 3.063 20 0 GGADLN COC(=O)[C@@H]1C[C@H](C(=O)[O-])CC[N@@H+]1Cc1ccc(Oc2cccc(F)c2)cc1 ZINC001598758657 995751594 /nfs/dbraw/zinc/75/15/94/995751594.db2.gz LOQJNIWZYPQHIR-BEFAXECRSA-N 0 2 387.407 3.456 20 0 GGADLN COC(=O)[C@@H]1C[C@H](C(=O)[O-])CC[N@H+]1Cc1ccc(Oc2cccc(F)c2)cc1 ZINC001598758657 995751600 /nfs/dbraw/zinc/75/16/00/995751600.db2.gz LOQJNIWZYPQHIR-BEFAXECRSA-N 0 2 387.407 3.456 20 0 GGADLN COC(=O)[C@@H]1C[C@H](C(=O)[O-])CC[N@@H+]1Cc1cnc(-c2ccc(Cl)cc2)s1 ZINC001598759175 995756498 /nfs/dbraw/zinc/75/64/98/995756498.db2.gz MMZMDRJPXSSVSO-DOMZBBRYSA-N 0 2 394.880 3.302 20 0 GGADLN COC(=O)[C@@H]1C[C@H](C(=O)[O-])CC[N@H+]1Cc1cnc(-c2ccc(Cl)cc2)s1 ZINC001598759175 995756504 /nfs/dbraw/zinc/75/65/04/995756504.db2.gz MMZMDRJPXSSVSO-DOMZBBRYSA-N 0 2 394.880 3.302 20 0 GGADLN COC(=O)[C@H]1C[C@H](C(=O)[O-])CC[N@@H+]1Cc1cnc(-c2ccc(Cl)cc2)s1 ZINC001598759176 995756755 /nfs/dbraw/zinc/75/67/55/995756755.db2.gz MMZMDRJPXSSVSO-IUODEOHRSA-N 0 2 394.880 3.302 20 0 GGADLN COC(=O)[C@H]1C[C@H](C(=O)[O-])CC[N@H+]1Cc1cnc(-c2ccc(Cl)cc2)s1 ZINC001598759176 995756763 /nfs/dbraw/zinc/75/67/63/995756763.db2.gz MMZMDRJPXSSVSO-IUODEOHRSA-N 0 2 394.880 3.302 20 0 GGADLN COC(=O)[C@@H]1C[C@H](C(=O)[O-])CC[N@@H+]1Cc1ccc(-c2ccc(Cl)cc2)o1 ZINC001598761376 995781091 /nfs/dbraw/zinc/78/10/91/995781091.db2.gz RNYOKFHSZWCHDP-CJNGLKHVSA-N 0 2 377.824 3.438 20 0 GGADLN COC(=O)[C@@H]1C[C@H](C(=O)[O-])CC[N@H+]1Cc1ccc(-c2ccc(Cl)cc2)o1 ZINC001598761376 995781099 /nfs/dbraw/zinc/78/10/99/995781099.db2.gz RNYOKFHSZWCHDP-CJNGLKHVSA-N 0 2 377.824 3.438 20 0 GGADLN C[C@H](Oc1ccc(C[N@@H+]2CC(C)(C)O[C@@](C)(C(F)(F)F)C2)cc1)C(=O)[O-] ZINC001593615033 995829192 /nfs/dbraw/zinc/82/91/92/995829192.db2.gz DZOLPHYUBYNBQI-YVEFUNNKSA-N 0 2 375.387 3.470 20 0 GGADLN C[C@H](Oc1ccc(C[N@H+]2CC(C)(C)O[C@@](C)(C(F)(F)F)C2)cc1)C(=O)[O-] ZINC001593615033 995829195 /nfs/dbraw/zinc/82/91/95/995829195.db2.gz DZOLPHYUBYNBQI-YVEFUNNKSA-N 0 2 375.387 3.470 20 0 GGADLN C[C@H]([NH2+]Cc1ccc(O[C@@H](C)C(=O)[O-])cc1)c1nc(Cc2ccccc2)no1 ZINC001593617605 995853085 /nfs/dbraw/zinc/85/30/85/995853085.db2.gz KYIOWAGZSPOPKE-GJZGRUSLSA-N 0 2 381.432 3.363 20 0 GGADLN C[C@@H](Oc1ccccc1C[N@H+](C)CC(=O)N(C)[C@@H](C)c1ccccc1)C(=O)[O-] ZINC001593644469 995961914 /nfs/dbraw/zinc/96/19/14/995961914.db2.gz KUKMIFLTBSBATD-DLBZAZTESA-N 0 2 384.476 3.190 20 0 GGADLN C[C@@H](Oc1ccccc1C[N@@H+](C)CC(=O)N(C)[C@@H](C)c1ccccc1)C(=O)[O-] ZINC001593644469 995961922 /nfs/dbraw/zinc/96/19/22/995961922.db2.gz KUKMIFLTBSBATD-DLBZAZTESA-N 0 2 384.476 3.190 20 0 GGADLN C[C@H](Oc1ccccc1C[N@@H+]1CCc2c(ncn2-c2ccccc2)C1)C(=O)[O-] ZINC001593645482 995974801 /nfs/dbraw/zinc/97/48/01/995974801.db2.gz KKUFAFIGYWIRLI-INIZCTEOSA-N 0 2 377.444 3.283 20 0 GGADLN C[C@H](Oc1ccccc1C[N@H+]1CCc2c(ncn2-c2ccccc2)C1)C(=O)[O-] ZINC001593645482 995974804 /nfs/dbraw/zinc/97/48/04/995974804.db2.gz KKUFAFIGYWIRLI-INIZCTEOSA-N 0 2 377.444 3.283 20 0 GGADLN C[C@@H](Oc1ccccc1CN1CC[NH+](Cc2cc3ccccc3[nH]2)CC1)C(=O)[O-] ZINC001593646734 995989047 /nfs/dbraw/zinc/98/90/47/995989047.db2.gz VKPNTPWJOIZPQG-QGZVFWFLSA-N 0 2 393.487 3.338 20 0 GGADLN C[C@H](Oc1ccccc1CN1CC[NH+](Cc2cc3ccccc3[nH]2)CC1)C(=O)[O-] ZINC001593646733 995989218 /nfs/dbraw/zinc/98/92/18/995989218.db2.gz VKPNTPWJOIZPQG-KRWDZBQOSA-N 0 2 393.487 3.338 20 0 GGADLN C[C@H](Sc1cc(Cl)ccc1Cl)C(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)[O-] ZINC001593664506 996052545 /nfs/dbraw/zinc/05/25/45/996052545.db2.gz WNJQIFMEZNIVCP-QPUJVOFHSA-N 0 2 388.276 3.009 20 0 GGADLN C[C@H](Sc1cc(Cl)ccc1Cl)C(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)[O-] ZINC001593664506 996052550 /nfs/dbraw/zinc/05/25/50/996052550.db2.gz WNJQIFMEZNIVCP-QPUJVOFHSA-N 0 2 388.276 3.009 20 0 GGADLN C[C@@H](Sc1ccccc1C(=O)N1CCC(Nc2cccc[nH+]2)CC1)C(=O)[O-] ZINC001593667162 996056300 /nfs/dbraw/zinc/05/63/00/996056300.db2.gz BRLFRBGRCMGXKY-CQSZACIVSA-N 0 2 385.489 3.364 20 0 GGADLN C[C@H](Sc1ccccc1C(=O)NCc1cccc(Cn2cc[nH+]c2)c1)C(=O)[O-] ZINC001593673324 996083608 /nfs/dbraw/zinc/08/36/08/996083608.db2.gz SLNNDCXIIJNQLP-HNNXBMFYSA-N 0 2 395.484 3.427 20 0 GGADLN COC(=O)[C@@H]1CC[N@H+](Cc2ccc(-c3ccc(Cl)cc3)o2)[C@H](C(=O)[O-])C1 ZINC001598802346 996149581 /nfs/dbraw/zinc/14/95/81/996149581.db2.gz XEGGGSMYPFJOTG-CJNGLKHVSA-N 0 2 377.824 3.438 20 0 GGADLN COC(=O)[C@@H]1CC[N@@H+](Cc2ccc(-c3ccc(Cl)cc3)o2)[C@H](C(=O)[O-])C1 ZINC001598802346 996149582 /nfs/dbraw/zinc/14/95/82/996149582.db2.gz XEGGGSMYPFJOTG-CJNGLKHVSA-N 0 2 377.824 3.438 20 0 GGADLN COC(=O)[C@H]1CC[N@H+](Cc2ccc(-c3ccc(Cl)cc3)o2)[C@H](C(=O)[O-])C1 ZINC001598802345 996149907 /nfs/dbraw/zinc/14/99/07/996149907.db2.gz XEGGGSMYPFJOTG-BBRMVZONSA-N 0 2 377.824 3.438 20 0 GGADLN COC(=O)[C@H]1CC[N@@H+](Cc2ccc(-c3ccc(Cl)cc3)o2)[C@H](C(=O)[O-])C1 ZINC001598802345 996149912 /nfs/dbraw/zinc/14/99/12/996149912.db2.gz XEGGGSMYPFJOTG-BBRMVZONSA-N 0 2 377.824 3.438 20 0 GGADLN C[C@@H](c1ccc(F)cc1)N(C)C(=O)C[NH2+][C@](C)(C(=O)[O-])c1ccc(F)cc1 ZINC001593694577 996151326 /nfs/dbraw/zinc/15/13/26/996151326.db2.gz ZCYRJCUVRFUWRG-RBZFPXEDSA-N 0 2 376.403 3.074 20 0 GGADLN C[C@H](c1cccc(NC(=O)N[C@@H](CC(=O)[O-])C2CCCC2)c1)[NH+]1CCOCC1 ZINC001593703767 996181402 /nfs/dbraw/zinc/18/14/02/996181402.db2.gz UVHFNSXQAUHKEG-BEFAXECRSA-N 0 2 389.496 3.235 20 0 GGADLN C[C@@H](c1ccccc1)N(C)C(=O)C[N@H+](C)Cc1cc(C(=O)[O-])c2n1CCCC2 ZINC001593705110 996187562 /nfs/dbraw/zinc/18/75/62/996187562.db2.gz GNQUGJMTSJYZDC-INIZCTEOSA-N 0 2 383.492 3.174 20 0 GGADLN C[C@@H](c1ccccc1)N(C)C(=O)C[N@@H+](C)Cc1cc(C(=O)[O-])c2n1CCCC2 ZINC001593705110 996187567 /nfs/dbraw/zinc/18/75/67/996187567.db2.gz GNQUGJMTSJYZDC-INIZCTEOSA-N 0 2 383.492 3.174 20 0 GGADLN C[C@@H](c1ccccc1F)[N@H+](C)CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC001593716729 996232463 /nfs/dbraw/zinc/23/24/63/996232463.db2.gz BXIAWLSMSMAODI-VBKZILBWSA-N 0 2 397.450 3.112 20 0 GGADLN C[C@@H](c1ccccc1F)[N@@H+](C)CC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC001593716729 996232469 /nfs/dbraw/zinc/23/24/69/996232469.db2.gz BXIAWLSMSMAODI-VBKZILBWSA-N 0 2 397.450 3.112 20 0 GGADLN C[C@H](c1cccnc1)[NH+]1CCN(Cc2ccnc3c(C(=O)[O-])cccc23)CC1 ZINC001593719526 996243979 /nfs/dbraw/zinc/24/39/79/996243979.db2.gz OAQRLALOHBSPAT-MRXNPFEDSA-N 0 2 376.460 3.207 20 0 GGADLN C[C@H](c1ccsc1)[NH+]1CCN(C(=O)Nc2ccc(OCC(=O)[O-])cc2)CC1 ZINC001593725594 996279643 /nfs/dbraw/zinc/27/96/43/996279643.db2.gz XYBNNHZBZGQANT-CQSZACIVSA-N 0 2 389.477 3.122 20 0 GGADLN C[C@H](c1nc(C(=O)[O-])co1)[NH+]1CCC(Oc2ccc(C(F)(F)F)cn2)CC1 ZINC001593725859 996283382 /nfs/dbraw/zinc/28/33/82/996283382.db2.gz VFGQKIVPQITTFL-SNVBAGLBSA-N 0 2 385.342 3.391 20 0 GGADLN C[C@@H](c1ncc(C(=O)[O-])s1)[N@@H+]1CC[C@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC001593731510 996303378 /nfs/dbraw/zinc/30/33/78/996303378.db2.gz GHOSTJXPGWQEPK-SGTLLEGYSA-N 0 2 381.498 3.378 20 0 GGADLN C[C@@H](c1ncc(C(=O)[O-])s1)[N@H+]1CC[C@]12CCCN(C(=O)OC(C)(C)C)C2 ZINC001593731510 996303381 /nfs/dbraw/zinc/30/33/81/996303381.db2.gz GHOSTJXPGWQEPK-SGTLLEGYSA-N 0 2 381.498 3.378 20 0 GGADLN C[C@H](c1nc(Cc2ccc(F)cc2)no1)[N@@H+]1CC[C@@](C(=O)[O-])(C(F)(F)F)C1 ZINC001593732840 996316157 /nfs/dbraw/zinc/31/61/57/996316157.db2.gz AFDIKVANAVASFP-QLJPJBMISA-N 0 2 387.333 3.200 20 0 GGADLN C[C@H](c1nc(Cc2ccc(F)cc2)no1)[N@H+]1CC[C@@](C(=O)[O-])(C(F)(F)F)C1 ZINC001593732840 996316162 /nfs/dbraw/zinc/31/61/62/996316162.db2.gz AFDIKVANAVASFP-QLJPJBMISA-N 0 2 387.333 3.200 20 0 GGADLN C[C@@H](c1nnc(SCC2(CC(=O)[O-])CC2)n1-c1ccc(F)cc1)[NH+](C)C ZINC001593737366 996335089 /nfs/dbraw/zinc/33/50/89/996335089.db2.gz GMASSRFJMYZTIM-LBPRGKRZSA-N 0 2 378.473 3.376 20 0 GGADLN C[C@@H](c1nnc(N2CCC[C@@H](CCC(=O)[O-])C2)n1C)[N@H+](C)Cc1ccccc1 ZINC001593738413 996347339 /nfs/dbraw/zinc/34/73/39/996347339.db2.gz TVDCXFAZRHCPDE-WMZOPIPTSA-N 0 2 385.512 3.089 20 0 GGADLN C[C@@H](c1nnc(N2CCC[C@@H](CCC(=O)[O-])C2)n1C)[N@@H+](C)Cc1ccccc1 ZINC001593738413 996347345 /nfs/dbraw/zinc/34/73/45/996347345.db2.gz TVDCXFAZRHCPDE-WMZOPIPTSA-N 0 2 385.512 3.089 20 0 GGADLN CC1(C)[C@@H](c2ccccc2F)CC[N@@H+]1CC(=O)Nc1nc(CC(=O)[O-])cs1 ZINC001593841522 996599220 /nfs/dbraw/zinc/59/92/20/996599220.db2.gz BMTUFIPZANSCJU-CQSZACIVSA-N 0 2 391.468 3.116 20 0 GGADLN CC1(C)[C@@H](c2ccccc2F)CC[N@H+]1CC(=O)Nc1nc(CC(=O)[O-])cs1 ZINC001593841522 996599225 /nfs/dbraw/zinc/59/92/25/996599225.db2.gz BMTUFIPZANSCJU-CQSZACIVSA-N 0 2 391.468 3.116 20 0 GGADLN CC1(C)C[C@H](O)CC[N@H+](CC(=O)Nc2c(Cl)cc(Cl)cc2C(=O)[O-])C1 ZINC001593861905 996657294 /nfs/dbraw/zinc/65/72/94/996657294.db2.gz NAJUMTZKTIJWIP-LLVKDONJSA-N 0 2 389.279 3.113 20 0 GGADLN CC1(C)C[C@H](O)CC[N@@H+](CC(=O)Nc2c(Cl)cc(Cl)cc2C(=O)[O-])C1 ZINC001593861905 996657297 /nfs/dbraw/zinc/65/72/97/996657297.db2.gz NAJUMTZKTIJWIP-LLVKDONJSA-N 0 2 389.279 3.113 20 0 GGADLN COCc1cc(NC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)cc(C(=O)[O-])c1 ZINC001599284130 996944998 /nfs/dbraw/zinc/94/49/98/996944998.db2.gz PWXWYSIDZUALQI-SFHVURJKSA-N 0 2 379.416 3.415 20 0 GGADLN CC1(C)C[N@@H+]([C@@H]2CCN(c3sccc3C(=O)[O-])C2=O)Cc2ccccc2O1 ZINC001593941176 996959829 /nfs/dbraw/zinc/95/98/29/996959829.db2.gz YIJRTQRTNZZUCO-OAHLLOKOSA-N 0 2 386.473 3.225 20 0 GGADLN CC1(C)C[N@H+]([C@@H]2CCN(c3sccc3C(=O)[O-])C2=O)Cc2ccccc2O1 ZINC001593941176 996959842 /nfs/dbraw/zinc/95/98/42/996959842.db2.gz YIJRTQRTNZZUCO-OAHLLOKOSA-N 0 2 386.473 3.225 20 0 GGADLN COCc1cc(NC(=O)c2ccc(NCCn3cc[nH+]c3)cc2)cc(C(=O)[O-])c1 ZINC001599288664 997025420 /nfs/dbraw/zinc/02/54/20/997025420.db2.gz LCAYXMSIQLCOJD-UHFFFAOYSA-N 0 2 394.431 3.092 20 0 GGADLN COC[C@]1(C(=O)[O-])CCCC[N@@H+]1CC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC001599188145 997068607 /nfs/dbraw/zinc/06/86/07/997068607.db2.gz MBUVTOQKURLIGY-QFIPXVFZSA-N 0 2 398.459 3.373 20 0 GGADLN COC[C@]1(C(=O)[O-])CCCC[N@H+]1CC(=O)Nc1ccc(Oc2ccccc2)cc1 ZINC001599188145 997068625 /nfs/dbraw/zinc/06/86/25/997068625.db2.gz MBUVTOQKURLIGY-QFIPXVFZSA-N 0 2 398.459 3.373 20 0 GGADLN COC(=O)[C@@H]1CC[C@@H](c2ccccc2)[N@@H+]1Cc1ccc(O[C@H](C)C(=O)[O-])cc1 ZINC001598895623 997076374 /nfs/dbraw/zinc/07/63/74/997076374.db2.gz IDNGRRCPMBAUDF-XPGWFJOJSA-N 0 2 383.444 3.417 20 0 GGADLN COC(=O)[C@@H]1CC[C@@H](c2ccccc2)[N@H+]1Cc1ccc(O[C@H](C)C(=O)[O-])cc1 ZINC001598895623 997076385 /nfs/dbraw/zinc/07/63/85/997076385.db2.gz IDNGRRCPMBAUDF-XPGWFJOJSA-N 0 2 383.444 3.417 20 0 GGADLN COc1cc(C)[nH+]c(CS[C@H]2CCN(c3sccc3C(=O)[O-])C2=O)c1 ZINC001599394120 997092407 /nfs/dbraw/zinc/09/24/07/997092407.db2.gz BHYHYBYEDRQAOZ-AWEZNQCLSA-N 0 2 378.475 3.197 20 0 GGADLN COCc1ccccc1/C=C(/C)C[N@H+](CCC(=O)[O-])CC(=O)OC(C)(C)C ZINC001599297668 997174674 /nfs/dbraw/zinc/17/46/74/997174674.db2.gz NDKHEQKLMZTPPE-VBKFSLOCSA-N 0 2 377.481 3.355 20 0 GGADLN COCc1ccccc1/C=C(/C)C[N@@H+](CCC(=O)[O-])CC(=O)OC(C)(C)C ZINC001599297668 997174681 /nfs/dbraw/zinc/17/46/81/997174681.db2.gz NDKHEQKLMZTPPE-VBKFSLOCSA-N 0 2 377.481 3.355 20 0 GGADLN COc1cc(C[N@H+](C)CN2Cc3ccc(C(=O)[O-])cc3C2=O)ccc1SC ZINC001599405341 997287598 /nfs/dbraw/zinc/28/75/98/997287598.db2.gz VNQZJJHSQKYDOF-UHFFFAOYSA-N 0 2 386.473 3.161 20 0 GGADLN COc1cc(C[N@@H+](C)CN2Cc3ccc(C(=O)[O-])cc3C2=O)ccc1SC ZINC001599405341 997287609 /nfs/dbraw/zinc/28/76/09/997287609.db2.gz VNQZJJHSQKYDOF-UHFFFAOYSA-N 0 2 386.473 3.161 20 0 GGADLN COC(=O)c1[nH]c2ccccc2c1C[N@@H+]1CCOc2cc(C(=O)[O-])ccc2C1 ZINC001598909655 997336704 /nfs/dbraw/zinc/33/67/04/997336704.db2.gz OBPYXJDTBCWQHC-UHFFFAOYSA-N 0 2 380.400 3.047 20 0 GGADLN COC(=O)c1[nH]c2ccccc2c1C[N@H+]1CCOc2cc(C(=O)[O-])ccc2C1 ZINC001598909655 997336718 /nfs/dbraw/zinc/33/67/18/997336718.db2.gz OBPYXJDTBCWQHC-UHFFFAOYSA-N 0 2 380.400 3.047 20 0 GGADLN COc1cc(C[N@@H+]2CCN(c3ccc(C(=O)[O-])cc3)C[C@@H]2C)c(Cl)cc1O ZINC001599408378 997373050 /nfs/dbraw/zinc/37/30/50/997373050.db2.gz SUUNIBFRYDOQLG-ZDUSSCGKSA-N 0 2 390.867 3.463 20 0 GGADLN COc1cc(C[N@H+]2CCN(c3ccc(C(=O)[O-])cc3)C[C@@H]2C)c(Cl)cc1O ZINC001599408378 997373065 /nfs/dbraw/zinc/37/30/65/997373065.db2.gz SUUNIBFRYDOQLG-ZDUSSCGKSA-N 0 2 390.867 3.463 20 0 GGADLN COc1cc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1OCc1ccc(C(=O)[O-])o1 ZINC001599408450 997374847 /nfs/dbraw/zinc/37/48/47/997374847.db2.gz XUTQHLCNLQZAQI-OKILXGFUSA-N 0 2 375.421 3.175 20 0 GGADLN COc1cc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1OCc1ccc(C(=O)[O-])o1 ZINC001599408450 997374857 /nfs/dbraw/zinc/37/48/57/997374857.db2.gz XUTQHLCNLQZAQI-OKILXGFUSA-N 0 2 375.421 3.175 20 0 GGADLN COc1ccc([C@@H](NC(=O)C[NH2+][C@H](C(=O)[O-])c2ccc(C)c(C)c2)C2CC2)cc1 ZINC001599520012 997463020 /nfs/dbraw/zinc/46/30/20/997463020.db2.gz KBFAYUGOQLXEGR-VXKWHMMOSA-N 0 2 396.487 3.295 20 0 GGADLN COC(=O)c1c(C)c(C(=O)[O-])sc1NC(=O)C[N@H+]1CC=C(C(C)(C)C)CC1 ZINC001598915854 997464277 /nfs/dbraw/zinc/46/42/77/997464277.db2.gz NZMFKSQNNLMCFH-UHFFFAOYSA-N 0 2 394.493 3.158 20 0 GGADLN COC(=O)c1c(C)c(C(=O)[O-])sc1NC(=O)C[N@@H+]1CC=C(C(C)(C)C)CC1 ZINC001598915854 997464283 /nfs/dbraw/zinc/46/42/83/997464283.db2.gz NZMFKSQNNLMCFH-UHFFFAOYSA-N 0 2 394.493 3.158 20 0 GGADLN COc1cc(C[NH2+][C@@H](CO)c2cccc(F)c2)c(Br)cc1C(=O)[O-] ZINC001599416341 997518897 /nfs/dbraw/zinc/51/88/97/997518897.db2.gz UAYBUSNSPPTMED-HNNXBMFYSA-N 0 2 398.228 3.118 20 0 GGADLN COc1cc(Cl)c(C[NH+]2CCN(c3ccc(C(=O)[O-])s3)CC2)cc1OC ZINC001599418795 997557857 /nfs/dbraw/zinc/55/78/57/997557857.db2.gz NYKUPFXGLHUBQI-UHFFFAOYSA-N 0 2 396.896 3.439 20 0 GGADLN COc1cc(Cl)c(C)cc1NC(=O)C[NH2+][C@H](C)c1ncc(C(=O)[O-])s1 ZINC001599418970 997561510 /nfs/dbraw/zinc/56/15/10/997561510.db2.gz XUYNMTJSIIFRGH-SECBINFHSA-N 0 2 383.857 3.101 20 0 GGADLN COc1ccc([C@H]([NH2+]CC(=O)Nc2c(C)cccc2C)C(=O)[O-])cc1Cl ZINC001599528440 997605119 /nfs/dbraw/zinc/60/51/19/997605119.db2.gz VFOBQLANDRHDLS-SFHVURJKSA-N 0 2 376.840 3.319 20 0 GGADLN COc1cc(F)c([C@@H](C)[NH2+]CC(=O)c2[nH]c(C)c(C(=O)[O-])c2C)cc1OC ZINC001599425807 997672495 /nfs/dbraw/zinc/67/24/95/997672495.db2.gz NPTWXVLZTUPLBU-SNVBAGLBSA-N 0 2 378.400 3.020 20 0 GGADLN COc1cc(F)cc(C[NH+]2CCN([C@@H](C(=O)[O-])c3ccc(Cl)cc3)CC2)c1 ZINC001599426381 997683976 /nfs/dbraw/zinc/68/39/76/997683976.db2.gz NMRWVFZSIXOBDC-LJQANCHMSA-N 0 2 392.858 3.431 20 0 GGADLN COc1ccc(C)cc1C[NH+]1CCN(C(=O)Nc2cccc(C(=O)[O-])c2)CC1 ZINC001599533447 997700561 /nfs/dbraw/zinc/70/05/61/997700561.db2.gz LTZRLFZKOALBHL-UHFFFAOYSA-N 0 2 383.448 3.052 20 0 GGADLN COc1ccc([C@H]2CC[N@H+](CC(=O)Nc3ccsc3C(=O)[O-])C2)cc1F ZINC001599537997 997780111 /nfs/dbraw/zinc/78/01/11/997780111.db2.gz FUOBCEBWXXOKGL-LBPRGKRZSA-N 0 2 378.425 3.022 20 0 GGADLN COc1ccc([C@H]2CC[N@@H+](CC(=O)Nc3ccsc3C(=O)[O-])C2)cc1F ZINC001599537997 997780120 /nfs/dbraw/zinc/78/01/20/997780120.db2.gz FUOBCEBWXXOKGL-LBPRGKRZSA-N 0 2 378.425 3.022 20 0 GGADLN CO[C@H]1CC[N@H+](CC(=O)N2c3ccccc3CCc3ccccc32)[C@H](C(=O)[O-])C1 ZINC001599123519 997787745 /nfs/dbraw/zinc/78/77/45/997787745.db2.gz SMJKYXURUGPMPX-RXVVDRJESA-N 0 2 394.471 3.014 20 0 GGADLN CO[C@H]1CC[N@@H+](CC(=O)N2c3ccccc3CCc3ccccc32)[C@H](C(=O)[O-])C1 ZINC001599123519 997787757 /nfs/dbraw/zinc/78/77/57/997787757.db2.gz SMJKYXURUGPMPX-RXVVDRJESA-N 0 2 394.471 3.014 20 0 GGADLN CO[C@H]1CC[N@H+](CC(=O)N2c3ccccc3CCc3ccccc32)[C@@H](C(=O)[O-])C1 ZINC001599123517 997787868 /nfs/dbraw/zinc/78/78/68/997787868.db2.gz SMJKYXURUGPMPX-GHTZIAJQSA-N 0 2 394.471 3.014 20 0 GGADLN CO[C@H]1CC[N@@H+](CC(=O)N2c3ccccc3CCc3ccccc32)[C@@H](C(=O)[O-])C1 ZINC001599123517 997787881 /nfs/dbraw/zinc/78/78/81/997787881.db2.gz SMJKYXURUGPMPX-GHTZIAJQSA-N 0 2 394.471 3.014 20 0 GGADLN COc1ccc([C@H]2C[N@H+](Cc3cc(C(=O)[O-])sc3C)CCO2)cc1OC ZINC001599540184 997824587 /nfs/dbraw/zinc/82/45/87/997824587.db2.gz IOCZBUKGWNZZSQ-QGZVFWFLSA-N 0 2 377.462 3.345 20 0 GGADLN COc1ccc([C@H]2C[N@@H+](Cc3cc(C(=O)[O-])sc3C)CCO2)cc1OC ZINC001599540184 997824605 /nfs/dbraw/zinc/82/46/05/997824605.db2.gz IOCZBUKGWNZZSQ-QGZVFWFLSA-N 0 2 377.462 3.345 20 0 GGADLN COc1cc(NC(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)ccc1C(=O)[O-] ZINC001599435074 997829766 /nfs/dbraw/zinc/82/97/66/997829766.db2.gz LXWOKHPYGAKPQS-ZDUSSCGKSA-N 0 2 389.477 3.366 20 0 GGADLN COc1cc(NC(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)ccc1C(=O)[O-] ZINC001599435072 997830428 /nfs/dbraw/zinc/83/04/28/997830428.db2.gz LXWOKHPYGAKPQS-CYBMUJFWSA-N 0 2 389.477 3.366 20 0 GGADLN COc1cc(NC(=O)N[C@H](Cc2[nH+]ccn2C)c2ccccc2)ccc1C(=O)[O-] ZINC001599438699 997894586 /nfs/dbraw/zinc/89/45/86/997894586.db2.gz ZARPNMCAZILRDK-QGZVFWFLSA-N 0 2 394.431 3.232 20 0 GGADLN COc1c(NC(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)cccc1C(=O)[O-] ZINC001599340392 997912982 /nfs/dbraw/zinc/91/29/82/997912982.db2.gz PQADHDSJJRIHIW-ZDUSSCGKSA-N 0 2 389.477 3.366 20 0 GGADLN COc1c(N[C@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)ncnc1C(=O)[O-] ZINC001599342745 997948518 /nfs/dbraw/zinc/94/85/18/997948518.db2.gz FRQWCFQXASMBQQ-ZDUSSCGKSA-N 0 2 394.834 3.052 20 0 GGADLN COc1c(N[C@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)ncnc1C(=O)[O-] ZINC001599342745 997948526 /nfs/dbraw/zinc/94/85/26/997948526.db2.gz FRQWCFQXASMBQQ-ZDUSSCGKSA-N 0 2 394.834 3.052 20 0 GGADLN COc1cc(NC2CC[NH+]([C@H](C)c3nc(C(=O)[O-])co3)CC2)cc(OC)c1 ZINC001599442920 997959828 /nfs/dbraw/zinc/95/98/28/997959828.db2.gz LONUKWIEJZRGKU-GFCCVEGCSA-N 0 2 375.425 3.028 20 0 GGADLN COc1cc(NC2CC[NH+]([C@@H](C)c3nc(C(=O)[O-])co3)CC2)cc(OC)c1 ZINC001599442921 997959897 /nfs/dbraw/zinc/95/98/97/997959897.db2.gz LONUKWIEJZRGKU-LBPRGKRZSA-N 0 2 375.425 3.028 20 0 GGADLN COc1cc(-c2noc(C[N@@H+]3CCCCC[C@@H]3C(=O)[O-])n2)ccc1OC(F)F ZINC001599347252 998029573 /nfs/dbraw/zinc/02/95/73/998029573.db2.gz UYFAGKYUJQSWKE-GFCCVEGCSA-N 0 2 397.378 3.176 20 0 GGADLN COc1cc(-c2noc(C[N@H+]3CCCCC[C@@H]3C(=O)[O-])n2)ccc1OC(F)F ZINC001599347252 998029585 /nfs/dbraw/zinc/02/95/85/998029585.db2.gz UYFAGKYUJQSWKE-GFCCVEGCSA-N 0 2 397.378 3.176 20 0 GGADLN CO[C@H]1C[N@H+](Cc2coc(-c3ccc(Br)cc3)n2)[C@@](C)(C(=O)[O-])C1 ZINC001599135594 998035969 /nfs/dbraw/zinc/03/59/69/998035969.db2.gz VVFHFKJPRKYOJI-RHSMWYFYSA-N 0 2 395.253 3.168 20 0 GGADLN CO[C@H]1C[N@@H+](Cc2coc(-c3ccc(Br)cc3)n2)[C@@](C)(C(=O)[O-])C1 ZINC001599135594 998035981 /nfs/dbraw/zinc/03/59/81/998035981.db2.gz VVFHFKJPRKYOJI-RHSMWYFYSA-N 0 2 395.253 3.168 20 0 GGADLN COc1ccc(C[N@H+](C)[C@H](C)C(=O)Nc2c(C)csc2C(=O)[O-])c(OC)c1 ZINC001599558331 998137817 /nfs/dbraw/zinc/13/78/17/998137817.db2.gz FTHMACSSRPMAET-GFCCVEGCSA-N 0 2 392.477 3.231 20 0 GGADLN COc1ccc(C[N@@H+](C)[C@H](C)C(=O)Nc2c(C)csc2C(=O)[O-])c(OC)c1 ZINC001599558331 998137825 /nfs/dbraw/zinc/13/78/25/998137825.db2.gz FTHMACSSRPMAET-GFCCVEGCSA-N 0 2 392.477 3.231 20 0 GGADLN COc1ccc(C[NH+]2CCN([C@@H](C(=O)[O-])c3ccc(Cl)cc3)CC2)cc1F ZINC001599560487 998183754 /nfs/dbraw/zinc/18/37/54/998183754.db2.gz IOTNGTBIWFKCEK-LJQANCHMSA-N 0 2 392.858 3.431 20 0 GGADLN COc1ccc(C[N@@H+]2CC[C@H]2C(=O)Nc2ccc(OCCCC(=O)[O-])cc2)cc1 ZINC001599561311 998200381 /nfs/dbraw/zinc/20/03/81/998200381.db2.gz UKKCREKHOCMYDI-FQEVSTJZSA-N 0 2 398.459 3.152 20 0 GGADLN COc1ccc(C[N@H+]2CC[C@H]2C(=O)Nc2ccc(OCCCC(=O)[O-])cc2)cc1 ZINC001599561311 998200393 /nfs/dbraw/zinc/20/03/93/998200393.db2.gz UKKCREKHOCMYDI-FQEVSTJZSA-N 0 2 398.459 3.152 20 0 GGADLN COc1ccc(C[N@@H+]2CC[C@@H]2C(=O)Nc2ccc(OCCCC(=O)[O-])cc2)cc1 ZINC001599561313 998200496 /nfs/dbraw/zinc/20/04/96/998200496.db2.gz UKKCREKHOCMYDI-HXUWFJFHSA-N 0 2 398.459 3.152 20 0 GGADLN COc1ccc(C[N@H+]2CC[C@@H]2C(=O)Nc2ccc(OCCCC(=O)[O-])cc2)cc1 ZINC001599561313 998200508 /nfs/dbraw/zinc/20/05/08/998200508.db2.gz UKKCREKHOCMYDI-HXUWFJFHSA-N 0 2 398.459 3.152 20 0 GGADLN COc1cc(C(=O)[O-])cc(NC(=O)C[C@H](c2[nH]cc[nH+]2)c2ccccc2)c1OC ZINC001599359941 998243939 /nfs/dbraw/zinc/24/39/39/998243939.db2.gz YBCQSMJLIGUXOL-HNNXBMFYSA-N 0 2 395.415 3.286 20 0 GGADLN COc1cc2c(cc1Cl)C[N@H+](Cc1c(C)nn(CCC(=O)[O-])c1C)CC2 ZINC001599463814 998323073 /nfs/dbraw/zinc/32/30/73/998323073.db2.gz VIUJWSRDAJHYOT-UHFFFAOYSA-N 0 2 377.872 3.195 20 0 GGADLN COc1cc2c(cc1Cl)C[N@@H+](Cc1c(C)nn(CCC(=O)[O-])c1C)CC2 ZINC001599463814 998323082 /nfs/dbraw/zinc/32/30/82/998323082.db2.gz VIUJWSRDAJHYOT-UHFFFAOYSA-N 0 2 377.872 3.195 20 0 GGADLN COc1cc2c(cc1OC)[C@H](CC(=O)[O-])[N@H+](Cc1ccnn1CC1CCC1)CC2 ZINC001599465093 998345893 /nfs/dbraw/zinc/34/58/93/998345893.db2.gz DYYRDUATFHWQLZ-IBGZPJMESA-N 0 2 399.491 3.275 20 0 GGADLN COc1cc2c(cc1OC)[C@H](CC(=O)[O-])[N@@H+](Cc1ccnn1CC1CCC1)CC2 ZINC001599465093 998345899 /nfs/dbraw/zinc/34/58/99/998345899.db2.gz DYYRDUATFHWQLZ-IBGZPJMESA-N 0 2 399.491 3.275 20 0 GGADLN COc1cc2ccccc2cc1-c1nnc(C[NH2+][C@H](C[C@H]2CCCO2)C(=O)[O-])o1 ZINC001599466648 998373302 /nfs/dbraw/zinc/37/33/02/998373302.db2.gz OLNPCHFMUVFPCB-NVXWUHKLSA-N 0 2 397.431 3.010 20 0 GGADLN COc1cc(C(=O)[O-])ccc1NC(=O)N1CC[NH+]([C@H](C)c2ccsc2)CC1 ZINC001599371377 998415746 /nfs/dbraw/zinc/41/57/46/998415746.db2.gz PZAKJZFDOPCOOG-CYBMUJFWSA-N 0 2 389.477 3.366 20 0 GGADLN COc1ccc(Cc2nn(C[N@@H+]3CCCC[C@@H]3CC(=O)[O-])c(=S)o2)cc1 ZINC001599576313 998448822 /nfs/dbraw/zinc/44/88/22/998448822.db2.gz DBJXOKLUIBRUBF-CQSZACIVSA-N 0 2 377.466 3.092 20 0 GGADLN COc1ccc(Cc2nn(C[N@H+]3CCCC[C@@H]3CC(=O)[O-])c(=S)o2)cc1 ZINC001599576313 998448830 /nfs/dbraw/zinc/44/88/30/998448830.db2.gz DBJXOKLUIBRUBF-CQSZACIVSA-N 0 2 377.466 3.092 20 0 GGADLN COc1ccc(-c2nn(C[N@@H+]3CC[C@H](C(=O)[O-])C3)c(=S)n2CC(C)C)cc1 ZINC001599471513 998458658 /nfs/dbraw/zinc/45/86/58/998458658.db2.gz VGSZEUAIWWOHJR-HNNXBMFYSA-N 0 2 390.509 3.110 20 0 GGADLN COc1ccc(-c2nn(C[N@H+]3CC[C@H](C(=O)[O-])C3)c(=S)n2CC(C)C)cc1 ZINC001599471513 998458664 /nfs/dbraw/zinc/45/86/64/998458664.db2.gz VGSZEUAIWWOHJR-HNNXBMFYSA-N 0 2 390.509 3.110 20 0 GGADLN C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)[C@H](c1c(F)cccc1Cl)[NH+]1CCCCC1 ZINC001594143153 998461918 /nfs/dbraw/zinc/46/19/18/998461918.db2.gz YYHDSZAKMPJNAT-XNJGSVPQSA-N 0 2 382.863 3.328 20 0 GGADLN COc1ccc(Cl)cc1CN1CC[NH+](Cc2cc(C)c(C(=O)[O-])[nH]2)CC1 ZINC001599577637 998470645 /nfs/dbraw/zinc/47/06/45/998470645.db2.gz GIVNNRTVBPHXAD-UHFFFAOYSA-N 0 2 377.872 3.001 20 0 GGADLN COc1ccc(-n2c(C[N@H+]3C[C@H](OC)C[C@]3(C)C(=O)[O-])nc3ccccc32)cc1 ZINC001599474122 998500285 /nfs/dbraw/zinc/50/02/85/998500285.db2.gz WRVODVDESXQZDQ-VGOFRKELSA-N 0 2 395.459 3.098 20 0 GGADLN COc1ccc(-n2c(C[N@@H+]3C[C@H](OC)C[C@]3(C)C(=O)[O-])nc3ccccc32)cc1 ZINC001599474122 998500297 /nfs/dbraw/zinc/50/02/97/998500297.db2.gz WRVODVDESXQZDQ-VGOFRKELSA-N 0 2 395.459 3.098 20 0 GGADLN COCCn1c2ccccc2[nH+]c1NCc1cc(C)c(OCC(=O)[O-])c(C)c1 ZINC001599269076 998518972 /nfs/dbraw/zinc/51/89/72/998518972.db2.gz XUKUMXUTNWYSMJ-UHFFFAOYSA-N 0 2 383.448 3.375 20 0 GGADLN COc1ccc(Br)c([C@H](C(=O)[O-])N(C)Cc2[nH]c(C)c(C)[nH+]2)c1 ZINC001599475226 998519757 /nfs/dbraw/zinc/51/97/57/998519757.db2.gz IKNCOWCUJJCJOH-OAHLLOKOSA-N 0 2 382.258 3.055 20 0 GGADLN COc1ccc(Br)c(C[N@@H+]2CCOc3ccccc3[C@@H]2C(=O)[O-])c1 ZINC001599475635 998527116 /nfs/dbraw/zinc/52/71/16/998527116.db2.gz YBAZCBOGQHUANZ-QGZVFWFLSA-N 0 2 392.249 3.478 20 0 GGADLN COc1ccc(Br)c(C[N@H+]2CCOc3ccccc3[C@@H]2C(=O)[O-])c1 ZINC001599475635 998527128 /nfs/dbraw/zinc/52/71/28/998527128.db2.gz YBAZCBOGQHUANZ-QGZVFWFLSA-N 0 2 392.249 3.478 20 0 GGADLN C[C@@H]1[C@H](C(=O)[O-])CCN1C(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC001594151860 998533512 /nfs/dbraw/zinc/53/35/12/998533512.db2.gz ZSZIGUPXBXLIAK-XJKCOSOUSA-N 0 2 397.878 3.121 20 0 GGADLN COC(=O)c1ccc(C[NH+]2CCN(c3ccc(C(=O)[O-])s3)CC2)cc1Cl ZINC001598974748 998582785 /nfs/dbraw/zinc/58/27/85/998582785.db2.gz QCWUGCMUEWFLMS-UHFFFAOYSA-N 0 2 394.880 3.209 20 0 GGADLN COC(=O)c1ccc(F)c(C[N@@H+]2CCN(c3ccc(C(=O)[O-])cc3)C[C@H]2C)c1 ZINC001598977431 998616936 /nfs/dbraw/zinc/61/69/36/998616936.db2.gz XSDDDHMRPFZUJY-CQSZACIVSA-N 0 2 386.423 3.021 20 0 GGADLN COC(=O)c1ccc(F)c(C[N@H+]2CCN(c3ccc(C(=O)[O-])cc3)C[C@H]2C)c1 ZINC001598977431 998616940 /nfs/dbraw/zinc/61/69/40/998616940.db2.gz XSDDDHMRPFZUJY-CQSZACIVSA-N 0 2 386.423 3.021 20 0 GGADLN C[C@@H]1[C@@H](C(=O)[O-])CC[N@@H+]1Cn1[nH]c(-c2ccc(Br)cc2)nc1=S ZINC001594168994 998651762 /nfs/dbraw/zinc/65/17/62/998651762.db2.gz YODOZAJTCSDUSD-SKDRFNHKSA-N 0 2 397.298 3.123 20 0 GGADLN C[C@@H]1[C@@H](C(=O)[O-])CC[N@H+]1Cn1[nH]c(-c2ccc(Br)cc2)nc1=S ZINC001594168994 998651764 /nfs/dbraw/zinc/65/17/64/998651764.db2.gz YODOZAJTCSDUSD-SKDRFNHKSA-N 0 2 397.298 3.123 20 0 GGADLN COC(=O)c1ccc(F)c2c1C[N@H+](Cc1c3ccccc3[nH]c1C(=O)[O-])CC2 ZINC001598982365 998669470 /nfs/dbraw/zinc/66/94/70/998669470.db2.gz GUUFSESGYPCHJE-UHFFFAOYSA-N 0 2 382.391 3.350 20 0 GGADLN COC(=O)c1ccc(F)c2c1C[N@@H+](Cc1c3ccccc3[nH]c1C(=O)[O-])CC2 ZINC001598982365 998669472 /nfs/dbraw/zinc/66/94/72/998669472.db2.gz GUUFSESGYPCHJE-UHFFFAOYSA-N 0 2 382.391 3.350 20 0 GGADLN COC(=O)c1ccc2[nH]c(C[NH2+][C@H](C(=O)[O-])c3cccc4ccccc43)nc2c1 ZINC001598987929 998711021 /nfs/dbraw/zinc/71/10/21/998711021.db2.gz KUAPKTGQOJHLPK-FQEVSTJZSA-N 0 2 389.411 3.418 20 0 GGADLN COC(=O)c1ccc2[nH]c(C[NH2+][C@@H](C(=O)[O-])c3cccc4ccccc43)nc2c1 ZINC001598987932 998711136 /nfs/dbraw/zinc/71/11/36/998711136.db2.gz KUAPKTGQOJHLPK-HXUWFJFHSA-N 0 2 389.411 3.418 20 0 GGADLN COC(=O)c1cccc([C@H](C(=O)[O-])[N@@H+]2CCc3[nH]c4ccc(F)cc4c3C2)c1 ZINC001598994430 998766341 /nfs/dbraw/zinc/76/63/41/998766341.db2.gz IIIZDOCUBDXBRU-LJQANCHMSA-N 0 2 382.391 3.278 20 0 GGADLN COC(=O)c1cccc([C@H](C(=O)[O-])[N@H+]2CCc3[nH]c4ccc(F)cc4c3C2)c1 ZINC001598994430 998766346 /nfs/dbraw/zinc/76/63/46/998766346.db2.gz IIIZDOCUBDXBRU-LJQANCHMSA-N 0 2 382.391 3.278 20 0 GGADLN COC(=O)c1cccc([C@@H](C(=O)[O-])[N@@H+]2CCc3[nH]c4ccc(F)cc4c3C2)c1 ZINC001598994428 998766395 /nfs/dbraw/zinc/76/63/95/998766395.db2.gz IIIZDOCUBDXBRU-IBGZPJMESA-N 0 2 382.391 3.278 20 0 GGADLN COC(=O)c1cccc([C@@H](C(=O)[O-])[N@H+]2CCc3[nH]c4ccc(F)cc4c3C2)c1 ZINC001598994428 998766401 /nfs/dbraw/zinc/76/64/01/998766401.db2.gz IIIZDOCUBDXBRU-IBGZPJMESA-N 0 2 382.391 3.278 20 0 GGADLN COC(=O)c1cccc([C@H](C(=O)[O-])[N@@H+]2CCC[C@@H](Oc3ccccc3OC)C2)c1 ZINC001598997525 998793411 /nfs/dbraw/zinc/79/34/11/998793411.db2.gz TYIZVFPXRFEKEI-YLJYHZDGSA-N 0 2 399.443 3.151 20 0 GGADLN COC(=O)c1cccc([C@H](C(=O)[O-])[N@H+]2CCC[C@@H](Oc3ccccc3OC)C2)c1 ZINC001598997525 998793414 /nfs/dbraw/zinc/79/34/14/998793414.db2.gz TYIZVFPXRFEKEI-YLJYHZDGSA-N 0 2 399.443 3.151 20 0 GGADLN COC(=O)c1cccc2c1OCC[N@@H+]([C@H](C(=O)[O-])c1cccc(Cl)c1)C2 ZINC001599002400 998829547 /nfs/dbraw/zinc/82/95/47/998829547.db2.gz ILBSDCJESGCTSO-INIZCTEOSA-N 0 2 375.808 3.147 20 0 GGADLN COC(=O)c1cccc2c1OCC[N@H+]([C@H](C(=O)[O-])c1cccc(Cl)c1)C2 ZINC001599002400 998829550 /nfs/dbraw/zinc/82/95/50/998829550.db2.gz ILBSDCJESGCTSO-INIZCTEOSA-N 0 2 375.808 3.147 20 0 GGADLN COC(=O)c1ccccc1-c1ccc(C[NH2+]C(C)(C)c2nocc2C(=O)[O-])o1 ZINC001599002445 998830514 /nfs/dbraw/zinc/83/05/14/998830514.db2.gz JKTZRQUUVUUSNX-UHFFFAOYSA-N 0 2 384.388 3.444 20 0 GGADLN COC(=O)c1cnc([C@H]2CC[N@@H+]([C@@H](C(=O)[O-])c3ccccc3Cl)C2)s1 ZINC001599009515 998885396 /nfs/dbraw/zinc/88/53/96/998885396.db2.gz OFXMZRUNFWZRTK-IINYFYTJSA-N 0 2 380.853 3.198 20 0 GGADLN COC(=O)c1cnc([C@H]2CC[N@H+]([C@@H](C(=O)[O-])c3ccccc3Cl)C2)s1 ZINC001599009515 998885404 /nfs/dbraw/zinc/88/54/04/998885404.db2.gz OFXMZRUNFWZRTK-IINYFYTJSA-N 0 2 380.853 3.198 20 0 GGADLN COC(=O)c1cnc([C@@H]2CC[N@@H+]([C@H](C(=O)[O-])c3ccccc3Cl)C2)s1 ZINC001599009517 998885560 /nfs/dbraw/zinc/88/55/60/998885560.db2.gz OFXMZRUNFWZRTK-YGRLFVJLSA-N 0 2 380.853 3.198 20 0 GGADLN COC(=O)c1cnc([C@@H]2CC[N@H+]([C@H](C(=O)[O-])c3ccccc3Cl)C2)s1 ZINC001599009517 998885565 /nfs/dbraw/zinc/88/55/65/998885565.db2.gz OFXMZRUNFWZRTK-YGRLFVJLSA-N 0 2 380.853 3.198 20 0 GGADLN COC(=O)c1nc([C@H]2CCC[N@@H+]2Cc2ccc(OCC(=O)[O-])cc2)sc1C ZINC001599015230 998932858 /nfs/dbraw/zinc/93/28/58/998932858.db2.gz AWEFFLKMTUHVKI-OAHLLOKOSA-N 0 2 390.461 3.039 20 0 GGADLN COC(=O)c1nc([C@H]2CCC[N@H+]2Cc2ccc(OCC(=O)[O-])cc2)sc1C ZINC001599015230 998932861 /nfs/dbraw/zinc/93/28/61/998932861.db2.gz AWEFFLKMTUHVKI-OAHLLOKOSA-N 0 2 390.461 3.039 20 0 GGADLN CC1CC(n2nnc3c2C[N@@H+]([C@@H](C(=O)[O-])c2ccccc2C(F)(F)F)CC3)C1 ZINC001594272439 999053994 /nfs/dbraw/zinc/05/39/94/999053994.db2.gz PHXJURGNFAQZCG-VCMHEYGDSA-N 0 2 394.397 3.452 20 0 GGADLN CC1CC(n2nnc3c2C[N@H+]([C@@H](C(=O)[O-])c2ccccc2C(F)(F)F)CC3)C1 ZINC001594272439 999053997 /nfs/dbraw/zinc/05/39/97/999053997.db2.gz PHXJURGNFAQZCG-VCMHEYGDSA-N 0 2 394.397 3.452 20 0 GGADLN C[C@@H]1C[C@@H]1c1ccc(C[N@H+](CC(=O)Nc2nc(CC(=O)[O-])cs2)C2CC2)o1 ZINC001594279624 999084905 /nfs/dbraw/zinc/08/49/05/999084905.db2.gz JONIMJRNTIMTAX-ABAIWWIYSA-N 0 2 389.477 3.090 20 0 GGADLN C[C@@H]1C[C@@H]1c1ccc(C[N@@H+](CC(=O)Nc2nc(CC(=O)[O-])cs2)C2CC2)o1 ZINC001594279624 999084911 /nfs/dbraw/zinc/08/49/11/999084911.db2.gz JONIMJRNTIMTAX-ABAIWWIYSA-N 0 2 389.477 3.090 20 0 GGADLN CC1CCC(N(C(=O)C[NH2+][C@](C)(C(=O)[O-])c2ccc(F)cc2)C2CC2)CC1 ZINC001594307432 999187391 /nfs/dbraw/zinc/18/73/91/999187391.db2.gz YHWWGRRYIRRKAO-FXMMLYEBSA-N 0 2 376.472 3.285 20 0 GGADLN C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)NCc3ccc(C(=O)[O-])s3)n2)C1 ZINC001594383554 999448867 /nfs/dbraw/zinc/44/88/67/999448867.db2.gz AKOXPIQJKBUHSW-LLVKDONJSA-N 0 2 394.522 3.456 20 0 GGADLN C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)NCc3ccc(C(=O)[O-])s3)n2)C1 ZINC001594383554 999448869 /nfs/dbraw/zinc/44/88/69/999448869.db2.gz AKOXPIQJKBUHSW-LLVKDONJSA-N 0 2 394.522 3.456 20 0 GGADLN C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N[C@@H]3CCC[C@H]3CC(=O)[O-])n2)C1 ZINC001594384090 999453093 /nfs/dbraw/zinc/45/30/93/999453093.db2.gz JUQIVWREGLHHTP-VNHYZAJKSA-N 0 2 380.514 3.140 20 0 GGADLN C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N[C@@H]3CCC[C@H]3CC(=O)[O-])n2)C1 ZINC001594384090 999453096 /nfs/dbraw/zinc/45/30/96/999453096.db2.gz JUQIVWREGLHHTP-VNHYZAJKSA-N 0 2 380.514 3.140 20 0 GGADLN C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)c3ccc(/C=C/C(=O)[O-])o3)n2)C1 ZINC001594385371 999463090 /nfs/dbraw/zinc/46/30/90/999463090.db2.gz ZTUBFJRNDQAPIS-HOSRBBHYSA-N 0 2 375.450 3.318 20 0 GGADLN C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)c3ccc(/C=C/C(=O)[O-])o3)n2)C1 ZINC001594385371 999463092 /nfs/dbraw/zinc/46/30/92/999463092.db2.gz ZTUBFJRNDQAPIS-HOSRBBHYSA-N 0 2 375.450 3.318 20 0 GGADLN C[C@H]1CCC[N@H+](Cc2csc(NC(=O)c3ccc(/C=C\C(=O)[O-])o3)n2)C1 ZINC001594385373 999463100 /nfs/dbraw/zinc/46/31/00/999463100.db2.gz ZTUBFJRNDQAPIS-HWPRWLFBSA-N 0 2 375.450 3.318 20 0 GGADLN C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)c3ccc(/C=C\C(=O)[O-])o3)n2)C1 ZINC001594385373 999463102 /nfs/dbraw/zinc/46/31/02/999463102.db2.gz ZTUBFJRNDQAPIS-HWPRWLFBSA-N 0 2 375.450 3.318 20 0 GGADLN C[C@H]1CCC[N@H+](Cc2csc(NC(=O)c3ccc(/C=C/C(=O)[O-])o3)n2)C1 ZINC001594385375 999463155 /nfs/dbraw/zinc/46/31/55/999463155.db2.gz ZTUBFJRNDQAPIS-PZBABLGHSA-N 0 2 375.450 3.318 20 0 GGADLN C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)c3ccc(/C=C/C(=O)[O-])o3)n2)C1 ZINC001594385375 999463158 /nfs/dbraw/zinc/46/31/58/999463158.db2.gz ZTUBFJRNDQAPIS-PZBABLGHSA-N 0 2 375.450 3.318 20 0 GGADLN C[C@@H]1CCN(C(=O)Nc2cc(F)c(Cl)c(C(=O)[O-])c2)C[C@@H]1n1cc[nH+]c1 ZINC001594402446 999507755 /nfs/dbraw/zinc/50/77/55/999507755.db2.gz AABPYKZFOLAHRG-YGRLFVJLSA-N 0 2 380.807 3.489 20 0 GGADLN C[C@@H]1CC[N@H+](CC(=O)Nc2ccc(OCc3ccccc3)cc2)[C@@H](C(=O)[O-])C1 ZINC001594414739 999549852 /nfs/dbraw/zinc/54/98/52/999549852.db2.gz NZDOXPPTPVANPP-OXQOHEQNSA-N 0 2 382.460 3.389 20 0 GGADLN C[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(OCc3ccccc3)cc2)[C@@H](C(=O)[O-])C1 ZINC001594414739 999549855 /nfs/dbraw/zinc/54/98/55/999549855.db2.gz NZDOXPPTPVANPP-OXQOHEQNSA-N 0 2 382.460 3.389 20 0 GGADLN C[C@@H]1CCSCC[N@@H+]1CC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)[O-] ZINC001594440436 999625998 /nfs/dbraw/zinc/62/59/98/999625998.db2.gz SIVDGHZBRUUSTP-SECBINFHSA-N 0 2 377.293 3.458 20 0 GGADLN C[C@@H]1CCSCC[N@H+]1CC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)[O-] ZINC001594440436 999626000 /nfs/dbraw/zinc/62/60/00/999626000.db2.gz SIVDGHZBRUUSTP-SECBINFHSA-N 0 2 377.293 3.458 20 0 GGADLN C[C@@H]1CCc2c(sc(NC(=O)C[N@@H+]3CC[C@H](C(F)(F)F)C3)c2C(=O)[O-])C1 ZINC001594443151 999630504 /nfs/dbraw/zinc/63/05/04/999630504.db2.gz AKZQXJSQGGCSEC-ZJUUUORDSA-N 0 2 390.427 3.394 20 0 GGADLN C[C@@H]1CCc2c(sc(NC(=O)C[N@H+]3CC[C@H](C(F)(F)F)C3)c2C(=O)[O-])C1 ZINC001594443151 999630506 /nfs/dbraw/zinc/63/05/06/999630506.db2.gz AKZQXJSQGGCSEC-ZJUUUORDSA-N 0 2 390.427 3.394 20 0 GGADLN C[C@H]1CCc2c(sc(NC(=O)C[N@@H+]3CCCC[C@@]34CCOC4)c2C(=O)[O-])C1 ZINC001594443643 999631442 /nfs/dbraw/zinc/63/14/42/999631442.db2.gz HFNCPERYWRRRJU-RBZFPXEDSA-N 0 2 392.521 3.155 20 0 GGADLN C[C@H]1CCc2c(sc(NC(=O)C[N@H+]3CCCC[C@@]34CCOC4)c2C(=O)[O-])C1 ZINC001594443643 999631443 /nfs/dbraw/zinc/63/14/43/999631443.db2.gz HFNCPERYWRRRJU-RBZFPXEDSA-N 0 2 392.521 3.155 20 0 GGADLN C[C@@H]1CN(C(=O)C(C)(C)C)C[C@@H](C)[NH+]1CCOc1ccc(C(=O)[O-])cc1Cl ZINC001594459664 999670519 /nfs/dbraw/zinc/67/05/19/999670519.db2.gz VFIMXGQZFZAXPE-ZIAGYGMSSA-N 0 2 396.915 3.384 20 0 GGADLN O=C([O-])[C@H](Cc1cc2ccccc2o1)[NH2+]Cc1nccn1Cc1ccccc1 ZINC001601658965 1126223885 /nfs/dbraw/zinc/22/38/85/1126223885.db2.gz XSSUREPLNGUCMM-IBGZPJMESA-N 0 2 375.428 3.463 20 0 GGADLN CCOC(=O)c1ncc(C[NH2+][C@](CC)(C(=O)[O-])c2ccc(Cl)cc2)s1 ZINC001605582591 1126230342 /nfs/dbraw/zinc/23/03/42/1126230342.db2.gz LKKJNHPBDUSXBV-KRWDZBQOSA-N 0 2 382.869 3.453 20 0 GGADLN C[C@](Cc1ccc(F)cc1)([NH2+]Cc1nc(-c2ccc(F)c(F)c2)no1)C(=O)[O-] ZINC001604223051 1126228742 /nfs/dbraw/zinc/22/87/42/1126228742.db2.gz SSYNDBWYAPRUGQ-LJQANCHMSA-N 0 2 391.349 3.330 20 0 GGADLN COc1cc(Br)c(S(=O)(=O)Nc2nc(C)cs2)cc1OC ZINC000061031910 531849134 /nfs/dbraw/zinc/84/91/34/531849134.db2.gz NWLLFJUVAZYQOL-UHFFFAOYSA-N 0 2 393.284 3.032 20 0 GGADLN CN(C(=O)c1cc(F)c(O)c(F)c1)C1CCN(c2ncnc3ccccc32)CC1 ZINC000359866548 212120132 /nfs/dbraw/zinc/12/01/32/212120132.db2.gz IQCHBYVTVPUOKS-UHFFFAOYSA-N 0 2 398.413 3.355 20 0 GGADLN O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)c1cc(Cl)ccn1 ZINC000006800770 220962881 /nfs/dbraw/zinc/96/28/81/220962881.db2.gz ZJITYKHPICIEDC-UHFFFAOYSA-N 0 2 394.865 3.245 20 0 GGADLN COc1cc(Cl)c(C)cc1NC(=O)C[C@H]1SC(N2CCCCC2)=NC1=O ZINC000007850186 221014182 /nfs/dbraw/zinc/01/41/82/221014182.db2.gz BVPNCECLRVIIOO-OAHLLOKOSA-N 0 2 395.912 3.470 20 0 GGADLN COc1cc(Cl)c(C)cc1NC(=O)CC1SC(N2CCCCC2)=NC1=O ZINC000007850186 221014186 /nfs/dbraw/zinc/01/41/86/221014186.db2.gz BVPNCECLRVIIOO-OAHLLOKOSA-N 0 2 395.912 3.470 20 0 GGADLN O=S(=O)(Nc1ccc(I)cc1)c1cc(F)ccc1F ZINC000008105160 221027001 /nfs/dbraw/zinc/02/70/01/221027001.db2.gz PCJDNXFEALUABD-UHFFFAOYSA-N 0 2 395.168 3.370 20 0 GGADLN O=S(=O)(Nc1cc(Cl)ccc1N1CCOCC1)c1cc(F)ccc1F ZINC000008107418 221027070 /nfs/dbraw/zinc/02/70/70/221027070.db2.gz LLBZAJSHDWNHQM-UHFFFAOYSA-N 0 2 388.823 3.256 20 0 GGADLN COC(=O)c1sc2ccccc2c1S(=O)(=O)Nc1ccc2c(c1)OCO2 ZINC000009646354 221087276 /nfs/dbraw/zinc/08/72/76/221087276.db2.gz HLXXJSLCZDUNRN-UHFFFAOYSA-N 0 2 391.426 3.217 20 0 GGADLN COC(=O)c1sccc1S(=O)(=O)Nc1cc(OC)c(Cl)cc1OC ZINC000009691270 221090081 /nfs/dbraw/zinc/09/00/81/221090081.db2.gz MIKSYRRQEPTYPL-UHFFFAOYSA-N 0 2 391.854 3.006 20 0 GGADLN CCn1c(=O)c2ccc(C(=O)NCC3(c4ccccc4)CC3)cc2[nH]c1=S ZINC000011750500 221122524 /nfs/dbraw/zinc/12/25/24/221122524.db2.gz AIOJFWGZWZEQHT-UHFFFAOYSA-N 0 2 379.485 3.167 20 0 GGADLN O=C(c1ccc(NS(=O)(=O)c2ccc(Cl)s2)cc1)N1CCC(=O)CC1 ZINC000012532572 221202887 /nfs/dbraw/zinc/20/28/87/221202887.db2.gz XMJAJMOHJLCEHU-UHFFFAOYSA-N 0 2 398.893 3.007 20 0 GGADLN COc1ccc(CN(C)Cc2nc(=O)c3sccc3[nH]2)c(OC)c1OC ZINC000012762221 221228064 /nfs/dbraw/zinc/22/80/64/221228064.db2.gz SCDQKMVSPBBNHG-UHFFFAOYSA-N 0 2 375.450 3.055 20 0 GGADLN COc1cc(C(=O)N(C)Cc2nc(=O)c3sccc3[nH]2)ccc1OC(C)C ZINC000012877815 221241004 /nfs/dbraw/zinc/24/10/04/221241004.db2.gz CNZUBCNSPUMTJG-UHFFFAOYSA-N 0 2 387.461 3.053 20 0 GGADLN O=c1cc(C[NH+]2CCN(c3ccccc3O)CC2)c2cc(Cl)c([O-])cc2o1 ZINC000013038273 221259448 /nfs/dbraw/zinc/25/94/48/221259448.db2.gz PSESDEOICUVLSV-UHFFFAOYSA-N 0 2 386.835 3.180 20 0 GGADLN CCOc1ccc(S(=O)(=O)Nc2ncn(Cc3ccc(Cl)cc3)n2)cc1 ZINC000014250674 221307285 /nfs/dbraw/zinc/30/72/85/221307285.db2.gz IYDOGYOQRWBPJH-UHFFFAOYSA-N 0 2 392.868 3.179 20 0 GGADLN O=S(=O)(Nc1ncn(Cc2ccc(Cl)cc2)n1)c1ccc(Cl)s1 ZINC000014250714 221307459 /nfs/dbraw/zinc/30/74/59/221307459.db2.gz AZCUTCOBMNBUQF-UHFFFAOYSA-N 0 2 389.289 3.496 20 0 GGADLN O=S(=O)(Nc1cccc(I)c1)c1ccc(F)cc1F ZINC000016130786 221357287 /nfs/dbraw/zinc/35/72/87/221357287.db2.gz PQVVUXWVYBZNMM-UHFFFAOYSA-N 0 2 395.168 3.370 20 0 GGADLN Cc1c(N2CCc3ccccc3C2)c(N)cc2c(=O)c(C(=O)O)cn(C3CC3)c12 ZINC000100896385 136189274 /nfs/dbraw/zinc/18/92/74/136189274.db2.gz LLVLMYRWABCVEU-UHFFFAOYSA-N 0 2 389.455 3.488 20 0 GGADLN Cc1noc(C)c1S(=O)(=O)Nc1ccccc1-c1nnc2n1CCCCC2 ZINC000024346182 221613443 /nfs/dbraw/zinc/61/34/43/221613443.db2.gz HMHQWBFCZUFUHJ-UHFFFAOYSA-N 0 2 387.465 3.077 20 0 GGADLN CCc1cc(=O)[nH]c(-c2cccc(NS(=O)(=O)c3ccc(C)s3)c2)n1 ZINC000055621116 222024833 /nfs/dbraw/zinc/02/48/33/222024833.db2.gz QIZYTEJJNZAHNI-UHFFFAOYSA-N 0 2 375.475 3.170 20 0 GGADLN O=S(=O)(Nc1ccccc1OC[C@@H]1CCCCO1)c1ccc(Cl)nc1 ZINC000057124674 222027730 /nfs/dbraw/zinc/02/77/30/222027730.db2.gz LHJGTNVUTHEPMX-ZDUSSCGKSA-N 0 2 382.869 3.484 20 0 GGADLN O=C1CCc2cc(S(=O)(=O)Nc3cccc(-c4cnco4)c3)c(F)cc2N1 ZINC000057119301 222028604 /nfs/dbraw/zinc/02/86/04/222028604.db2.gz SPUWKLMRRFUVHO-UHFFFAOYSA-N 0 2 387.392 3.166 20 0 GGADLN CC(=O)N1CCc2sc(S(=O)(=O)Nc3ccc(F)c(Cl)c3)cc2C1 ZINC000065196125 222109039 /nfs/dbraw/zinc/10/90/39/222109039.db2.gz RTZBLPMMOYEJNI-UHFFFAOYSA-N 0 2 388.873 3.246 20 0 GGADLN O=S(=O)(Nc1c2c(nn1-c1ccccc1)CCC2)c1cc(F)ccc1F ZINC000058190427 222044558 /nfs/dbraw/zinc/04/45/58/222044558.db2.gz LFZDIAGKUCLVGA-UHFFFAOYSA-N 0 2 375.400 3.440 20 0 GGADLN C[N@@H+]1CCN(C(=O)c2ccc3c(c2)[n-]c(=S)[nH]c3=O)[C@@H](c2ccccc2)C1 ZINC000063809382 222067716 /nfs/dbraw/zinc/06/77/16/222067716.db2.gz CMDABKNZRTVYEW-QGZVFWFLSA-N 0 2 380.473 3.127 20 0 GGADLN 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ZINC000162018640 565301895 /nfs/dbraw/zinc/30/18/95/565301895.db2.gz BMHRLYVZMMJUTF-UHFFFAOYSA-N 0 2 394.259 3.111 20 0 GGADLN O=S(=O)(Nc1cncc(Br)c1)c1cnc(-c2ccccc2)nc1 ZINC000187014763 565303023 /nfs/dbraw/zinc/30/30/23/565303023.db2.gz HPOYWRHSQGWQBH-UHFFFAOYSA-N 0 2 391.250 3.102 20 0 GGADLN O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)[C@@H]1CCCCS1 ZINC000272989400 565303364 /nfs/dbraw/zinc/30/33/64/565303364.db2.gz RQKSFLLSXMWBJL-ZDUSSCGKSA-N 0 2 383.520 3.168 20 0 GGADLN CC(C)OCCCC(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000273123715 565307983 /nfs/dbraw/zinc/30/79/83/565307983.db2.gz FLZZHLVIAPLVDE-UHFFFAOYSA-N 0 2 383.495 3.088 20 0 GGADLN Cc1cc(NS(=O)(=O)c2cc(Br)cc(C(F)(F)F)c2)n(C)n1 ZINC000162318703 565312876 /nfs/dbraw/zinc/31/28/76/565312876.db2.gz DSBGACCRXZGLPD-UHFFFAOYSA-N 0 2 398.204 3.311 20 0 GGADLN CS(=O)(=O)Nc1ccc(NC(=O)c2cc(F)cc(Cl)c2O)cc1Cl ZINC000162366971 565314964 /nfs/dbraw/zinc/31/49/64/565314964.db2.gz JZOBSBLAPBWFFG-UHFFFAOYSA-N 0 2 393.223 3.462 20 0 GGADLN Cc1cc(C)nc(NS(=O)(=O)c2cccc(I)c2)c1 ZINC000162359322 565314985 /nfs/dbraw/zinc/31/49/85/565314985.db2.gz GIABGCDSGVLMCS-UHFFFAOYSA-N 0 2 388.230 3.104 20 0 GGADLN O=S(=O)(Nc1ccc(-c2cncnc2)cn1)c1ccc(Br)cc1 ZINC000374081699 565318843 /nfs/dbraw/zinc/31/88/43/565318843.db2.gz JEPBHIOQFRQOLO-UHFFFAOYSA-N 0 2 391.250 3.102 20 0 GGADLN CCOC(=O)Cc1cnc(NS(=O)(=O)c2cc(C)c(Cl)s2)s1 ZINC000296535667 565322176 /nfs/dbraw/zinc/32/21/76/565322176.db2.gz DQCCJRZZBHFCGC-UHFFFAOYSA-N 0 2 380.900 3.073 20 0 GGADLN CCn1c(SCC(=O)NOCCC(F)(F)F)nnc1-c1cccs1 ZINC000162817141 565329375 /nfs/dbraw/zinc/32/93/75/565329375.db2.gz YDQBYLJSRHRHGB-UHFFFAOYSA-N 0 2 380.417 3.119 20 0 GGADLN CC(=O)NCCc1ccc(S(=O)(=O)Nc2cccc(OC(C)C)c2)s1 ZINC000296709484 565330788 /nfs/dbraw/zinc/33/07/88/565330788.db2.gz LUQOWVSWWJTIBM-UHFFFAOYSA-N 0 2 382.507 3.015 20 0 GGADLN COc1ccc(Cl)cc1S(=O)(=O)Nc1ncc(C2CCOCC2)s1 ZINC000296702917 565330931 /nfs/dbraw/zinc/33/09/31/565330931.db2.gz LBTDWCNCHCOQPA-UHFFFAOYSA-N 0 2 388.898 3.500 20 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565357781 /nfs/dbraw/zinc/35/77/81/565357781.db2.gz JXHQEXLGWKLPHM-CYBMUJFWSA-N 0 2 377.447 3.450 20 0 GGADLN O=C(c1ccc(Cl)c(Cl)c1O)N1CC[C@@H]2[C@@H](CCC(=O)N2C2CC2)C1 ZINC000164340695 565358822 /nfs/dbraw/zinc/35/88/22/565358822.db2.gz LOUSUYXAGCZLJW-IINYFYTJSA-N 0 2 383.275 3.315 20 0 GGADLN COC[C@@H](C)n1ccc(NS(=O)(=O)c2ccc(F)cc2C(F)(F)F)n1 ZINC000187949751 565365232 /nfs/dbraw/zinc/36/52/32/565365232.db2.gz YLASXCRYDIQPOX-SECBINFHSA-N 0 2 381.351 3.049 20 0 GGADLN CSc1ccc(S(=O)(=O)Nc2cc(C3CCOCC3)n[nH]2)cc1Cl ZINC000274296182 565366782 /nfs/dbraw/zinc/36/67/82/565366782.db2.gz GKZKNFBWNJSGQR-UHFFFAOYSA-N 0 2 387.914 3.480 20 0 GGADLN CSc1ccc(S(=O)(=O)Nc2cc(C3CCOCC3)[nH]n2)cc1Cl ZINC000274296182 565366786 /nfs/dbraw/zinc/36/67/86/565366786.db2.gz GKZKNFBWNJSGQR-UHFFFAOYSA-N 0 2 387.914 3.480 20 0 GGADLN Cc1cnc(NS(=O)(=O)c2cc(Cl)ccc2OC[C@@H]2CCOC2)s1 ZINC000188002874 565370268 /nfs/dbraw/zinc/37/02/68/565370268.db2.gz HWGPITSBVYHGIC-LLVKDONJSA-N 0 2 388.898 3.321 20 0 GGADLN O=S(=O)(Nc1cccnc1)c1cc(Cl)ccc1OC[C@@H]1CCCCO1 ZINC000188020001 565371019 /nfs/dbraw/zinc/37/10/19/565371019.db2.gz DDYOWKDTFAVSAR-HNNXBMFYSA-N 0 2 382.869 3.484 20 0 GGADLN Cc1cccnc1NS(=O)(=O)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000188027580 565371973 /nfs/dbraw/zinc/37/19/73/565371973.db2.gz CMMKHHKFJQLWEC-CYBMUJFWSA-N 0 2 382.869 3.260 20 0 GGADLN Cc1ccc(NS(=O)(=O)c2cc(Cl)ccc2OC[C@@H]2CCOC2)cn1 ZINC000188094821 565377870 /nfs/dbraw/zinc/37/78/70/565377870.db2.gz LCUNFLWSOYJLFH-CYBMUJFWSA-N 0 2 382.869 3.260 20 0 GGADLN O=S(=O)(Nc1cc(F)cc(Cl)c1O)c1cncc(Br)c1 ZINC000167725053 565379190 /nfs/dbraw/zinc/37/91/90/565379190.db2.gz LZDSFQNLQNAKOT-UHFFFAOYSA-N 0 2 381.610 3.143 20 0 GGADLN CC(C)(C)c1cccc(NS(=O)(=O)c2cnn(CC(F)(F)F)c2)c1O ZINC000274755193 565379446 /nfs/dbraw/zinc/37/94/46/565379446.db2.gz FVAIKHXJHIBIPE-UHFFFAOYSA-N 0 2 377.388 3.249 20 0 GGADLN CCOc1ccc(NS(=O)(=O)c2cnn(CC(F)(F)F)c2)cc1Cl ZINC000274777507 565380684 /nfs/dbraw/zinc/38/06/84/565380684.db2.gz WRYAIXWZVAISOD-UHFFFAOYSA-N 0 2 383.779 3.298 20 0 GGADLN COCCCOc1ccc(Cl)cc1S(=O)(=O)Nc1nc(C)cs1 ZINC000274764874 565381031 /nfs/dbraw/zinc/38/10/31/565381031.db2.gz ULMDVMMSBQDSBH-UHFFFAOYSA-N 0 2 376.887 3.321 20 0 GGADLN CC[C@@H](C)Oc1cccc(NS(=O)(=O)c2cnn(CC(F)(F)F)c2)c1 ZINC000274767189 565381087 /nfs/dbraw/zinc/38/10/87/565381087.db2.gz SWLGTMRYFCXRSG-LLVKDONJSA-N 0 2 377.388 3.424 20 0 GGADLN O=S(=O)(Nc1cccc(F)n1)c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000274985950 565388552 /nfs/dbraw/zinc/38/85/52/565388552.db2.gz CKMFMHFWDSEWPR-NSHDSACASA-N 0 2 386.832 3.090 20 0 GGADLN O=S(=O)(C[C@H]1CCCCO1)Nc1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000275010862 565389101 /nfs/dbraw/zinc/38/91/01/565389101.db2.gz JNRDHFXONAFBAN-DZGCQCFKSA-N 0 2 389.901 3.066 20 0 GGADLN O=S(=O)(C[C@H]1CCCCO1)Nc1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000275010866 565389759 /nfs/dbraw/zinc/38/97/59/565389759.db2.gz JNRDHFXONAFBAN-UKRRQHHQSA-N 0 2 389.901 3.066 20 0 GGADLN Cc1cncc(NS(=O)(=O)c2cc(Cl)ccc2OC[C@H]2CCOC2)c1 ZINC000275028633 565390318 /nfs/dbraw/zinc/39/03/18/565390318.db2.gz OMKYWWQXWVGUJP-ZDUSSCGKSA-N 0 2 382.869 3.260 20 0 GGADLN Cc1cc(Br)cc(S(=O)(=O)Nc2cnn(CC(F)F)c2)c1 ZINC000188441412 565401126 /nfs/dbraw/zinc/40/11/26/565401126.db2.gz NNKOFJSEKRANJL-UHFFFAOYSA-N 0 2 380.214 3.020 20 0 GGADLN Cc1cc(Br)cc(S(=O)(=O)Nc2cnn(CC(F)(F)F)c2)c1 ZINC000188444415 565401487 /nfs/dbraw/zinc/40/14/87/565401487.db2.gz NRFJJOJHZYWINJ-UHFFFAOYSA-N 0 2 398.204 3.317 20 0 GGADLN O=S(=O)(Nc1nc2c(s1)CSCC2)c1ccccc1Br ZINC000375715887 565402275 /nfs/dbraw/zinc/40/22/75/565402275.db2.gz ZWOHNKUTGPHWAL-UHFFFAOYSA-N 0 2 391.337 3.496 20 0 GGADLN COc1ccc(Cl)c(S(=O)(=O)Nc2nc3c(s2)CSCC3)c1 ZINC000375714073 565402306 /nfs/dbraw/zinc/40/23/06/565402306.db2.gz JBFWQIPBDZNRCT-UHFFFAOYSA-N 0 2 376.912 3.395 20 0 GGADLN C[C@H](Cc1ccc(F)c(Br)c1)NC(=O)c1cccc2[nH]nnc21 ZINC000188509230 565405817 /nfs/dbraw/zinc/40/58/17/565405817.db2.gz WYBZZCHEWHMJEU-SECBINFHSA-N 0 2 377.217 3.221 20 0 GGADLN COC(=O)c1scc(C)c1NS(=O)(=O)c1ccc(F)c2ncccc12 ZINC000188509948 565405947 /nfs/dbraw/zinc/40/59/47/565405947.db2.gz ZMJGMCAGRUQSBJ-UHFFFAOYSA-N 0 2 380.422 3.331 20 0 GGADLN CC1(C)C[C@H](O)CCN(C(=O)c2cc(Cl)cc(Br)c2O)C1 ZINC000298364725 565410765 /nfs/dbraw/zinc/41/07/65/565410765.db2.gz LUGICKLJUXJXCP-SNVBAGLBSA-N 0 2 376.678 3.431 20 0 GGADLN COc1ccc(S(=O)(=O)Nc2nc3c(s2)C(=O)CC(C)(C)C3)cc1F ZINC000171147217 565412562 /nfs/dbraw/zinc/41/25/62/565412562.db2.gz ORQNCDPLLMEUJP-UHFFFAOYSA-N 0 2 384.454 3.247 20 0 GGADLN Cc1cc(NS(=O)(=O)c2ccc(Br)cc2)n(-c2ccccn2)n1 ZINC000171147676 565412767 /nfs/dbraw/zinc/41/27/67/565412767.db2.gz GELUXSWHILBXAK-UHFFFAOYSA-N 0 2 393.266 3.139 20 0 GGADLN CC(=O)Nc1ccc2nc(NS(=O)(=O)Cc3ccc(F)cc3)sc2c1 ZINC000171152288 565413884 /nfs/dbraw/zinc/41/38/84/565413884.db2.gz HXKMKRIUQRUEAR-UHFFFAOYSA-N 0 2 379.438 3.336 20 0 GGADLN O=S(=O)(Nc1ccnn1C[C@H]1CCOC1)c1cccc(Cl)c1Cl ZINC000171156069 565414109 /nfs/dbraw/zinc/41/41/09/565414109.db2.gz HRZCNCUSTSSTCK-SNVBAGLBSA-N 0 2 376.265 3.027 20 0 GGADLN O=S(=O)(Nc1ccnn1C[C@H]1CCOC1)c1cc(Cl)cc(Cl)c1 ZINC000171156193 565414129 /nfs/dbraw/zinc/41/41/29/565414129.db2.gz BEPJXLVQZSJFCX-SNVBAGLBSA-N 0 2 376.265 3.027 20 0 GGADLN COC(=O)c1scc(C)c1S(=O)(=O)Nc1ccc2c(c1)C(=O)CCC2 ZINC000276115455 565436869 /nfs/dbraw/zinc/43/68/69/565436869.db2.gz YAIZIYVYIDJVRX-UHFFFAOYSA-N 0 2 379.459 3.163 20 0 GGADLN C[C@@H]1CN(C(=O)c2cccc(NS(=O)(=O)c3cccs3)c2)CCS1 ZINC000171569977 565438155 /nfs/dbraw/zinc/43/81/55/565438155.db2.gz VLZUBNYLRRCYPA-GFCCVEGCSA-N 0 2 382.532 3.126 20 0 GGADLN CN(Cc1nc(=O)c2sccc2[nH]1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000171618251 565440819 /nfs/dbraw/zinc/44/08/19/565440819.db2.gz YGYHXDAGNAINRH-DZGCQCFKSA-N 0 2 396.299 3.382 20 0 GGADLN CCC(CC)c1nnc(NS(=O)(=O)c2c(C)csc2C(=O)OC)s1 ZINC000276238106 565441510 /nfs/dbraw/zinc/44/15/10/565441510.db2.gz UDMWAYCBJDDNIW-UHFFFAOYSA-N 0 2 389.524 3.399 20 0 GGADLN CCCCCc1nnc(NS(=O)(=O)c2c(C)csc2C(=O)OC)s1 ZINC000276228665 565441713 /nfs/dbraw/zinc/44/17/13/565441713.db2.gz 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565580568 /nfs/dbraw/zinc/58/05/68/565580568.db2.gz LYXKTZIYIMNSCD-PSASIEDQSA-N 0 2 392.091 3.149 20 0 GGADLN C[C@@H]1C[N@H+](Cc2ncc(Br)cc2Br)CC[C@@H]1C(=O)[O-] ZINC000311555953 565580608 /nfs/dbraw/zinc/58/06/08/565580608.db2.gz LYXKTZIYIMNSCD-SCZZXKLOSA-N 0 2 392.091 3.149 20 0 GGADLN C[C@@H]1C[N@@H+](Cc2ncc(Br)cc2Br)CC[C@@H]1C(=O)[O-] ZINC000311555953 565580615 /nfs/dbraw/zinc/58/06/15/565580615.db2.gz LYXKTZIYIMNSCD-SCZZXKLOSA-N 0 2 392.091 3.149 20 0 GGADLN Cn1nc([C@H]2CCCO2)cc1NS(=O)(=O)c1cc(Cl)sc1Cl ZINC000278877479 565583106 /nfs/dbraw/zinc/58/31/06/565583106.db2.gz OFCVTJJTYAVKPQ-MRVPVSSYSA-N 0 2 382.294 3.441 20 0 GGADLN O=C(c1cccc(Cl)c1Cl)N1CCN(C(=O)[C@@H](F)C(F)(F)F)CC1 ZINC000278904471 565584139 /nfs/dbraw/zinc/58/41/39/565584139.db2.gz QAEMSQJILPSDOM-LLVKDONJSA-N 0 2 387.160 3.178 20 0 GGADLN O=C(c1cccc(Cl)c1Cl)N1CCN(C(=O)C(F)C(F)(F)F)CC1 ZINC000278904471 565584145 /nfs/dbraw/zinc/58/41/45/565584145.db2.gz QAEMSQJILPSDOM-LLVKDONJSA-N 0 2 387.160 3.178 20 0 GGADLN O=C(c1cccc(Cl)c1Cl)N1CCN(C(=O)[C@H](F)C(F)(F)F)CC1 ZINC000278904474 565584432 /nfs/dbraw/zinc/58/44/32/565584432.db2.gz QAEMSQJILPSDOM-NSHDSACASA-N 0 2 387.160 3.178 20 0 GGADLN O=C(c1cccc(Cl)c1Cl)N1CCN(C(=O)C(F)C(F)(F)F)CC1 ZINC000278904474 565584434 /nfs/dbraw/zinc/58/44/34/565584434.db2.gz QAEMSQJILPSDOM-NSHDSACASA-N 0 2 387.160 3.178 20 0 GGADLN C[C@H]1CCCN(C(=O)C(=O)Nc2cc(Br)cc(Cl)c2O)C1 ZINC000407987804 565589213 /nfs/dbraw/zinc/58/92/13/565589213.db2.gz FFQZNATXRHWWNU-QMMMGPOBSA-N 0 2 375.650 3.005 20 0 GGADLN CC1CCN(C(=O)C(=O)Nc2cc(Br)cc(Cl)c2O)CC1 ZINC000407992801 565589516 /nfs/dbraw/zinc/58/95/16/565589516.db2.gz UWMVKISBNUFCMS-UHFFFAOYSA-N 0 2 375.650 3.005 20 0 GGADLN CC(=O)Nc1cc(F)c(S(=O)(=O)Nc2ncc(C)s2)c(F)c1Cl ZINC000173995474 565605190 /nfs/dbraw/zinc/60/51/90/565605190.db2.gz JRZHXOPNNVOPTD-UHFFFAOYSA-N 0 2 381.813 3.142 20 0 GGADLN O=S(=O)(Nc1ncccc1OC(F)F)c1ccc(Br)c(F)c1 ZINC000174003529 565605861 /nfs/dbraw/zinc/60/58/61/565605861.db2.gz LQOZGNOSIHKGOJ-UHFFFAOYSA-N 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CSc1nnc(CNC(=O)N=c2nc(-c3cccc(Cl)c3)[nH]s2)s1 ZINC000446282199 566339832 /nfs/dbraw/zinc/33/98/32/566339832.db2.gz FOZRGJLGEWJBCD-UHFFFAOYSA-N 0 2 398.926 3.176 20 0 GGADLN O=C(N=c1nc(-c2ccccc2Cl)[nH]s1)N1CCc2ncsc2C1 ZINC000446289098 566340179 /nfs/dbraw/zinc/34/01/79/566340179.db2.gz PFUJUJXWYWFZLI-UHFFFAOYSA-N 0 2 377.882 3.327 20 0 GGADLN O=C(N=c1nc(-c2cccc(Cl)c2)[nH]s1)N1CCc2ncsc2C1 ZINC000446284170 566340307 /nfs/dbraw/zinc/34/03/07/566340307.db2.gz KSQVWLITANLJCP-UHFFFAOYSA-N 0 2 377.882 3.327 20 0 GGADLN O=C1CCOc2ccc(S(=O)(=O)Nc3nc(CC(F)(F)F)cs3)cc21 ZINC000556907574 566343196 /nfs/dbraw/zinc/34/31/96/566343196.db2.gz FMAQEMVSBSHBAO-UHFFFAOYSA-N 0 2 392.380 3.014 20 0 GGADLN O=S(=O)(N[C@@H]1CCCc2cn[nH]c21)c1cc(Cl)ccc1C(F)(F)F ZINC000509878310 566344097 /nfs/dbraw/zinc/34/40/97/566344097.db2.gz MPWYWGPFOVWEDQ-LLVKDONJSA-N 0 2 379.791 3.438 20 0 GGADLN O=S(=O)(N[C@H]1CCCc2cn[nH]c21)c1cc(Cl)ccc1C(F)(F)F ZINC000509878311 566344499 /nfs/dbraw/zinc/34/44/99/566344499.db2.gz MPWYWGPFOVWEDQ-NSHDSACASA-N 0 2 379.791 3.438 20 0 GGADLN Cc1nc(C)n(-c2ccccc2NS(=O)(=O)c2cc(Cl)ccc2F)n1 ZINC000576452784 566346540 /nfs/dbraw/zinc/34/65/40/566346540.db2.gz ZQDUQIIQWYAWQX-UHFFFAOYSA-N 0 2 380.832 3.477 20 0 GGADLN C[C@@H]1CN(Cc2csc(NS(=O)(=O)CCC3CCCC3)n2)C[C@@H](C)O1 ZINC000576464659 566348229 /nfs/dbraw/zinc/34/82/29/566348229.db2.gz XYVLJCAENUYGGJ-ZIAGYGMSSA-N 0 2 387.571 3.074 20 0 GGADLN CC[C@@H](CS(=O)(=O)Nc1cc(-c2ccc(Br)s2)[nH]n1)OC ZINC000421150976 566349042 /nfs/dbraw/zinc/34/90/42/566349042.db2.gz JJLKRMIOTNNLPW-QMMMGPOBSA-N 0 2 394.316 3.067 20 0 GGADLN C[C@@H]1SCC[C@H]1NC(=O)c1cccc(NS(=O)(=O)c2cccs2)c1 ZINC000649174442 566349472 /nfs/dbraw/zinc/34/94/72/566349472.db2.gz HMGVNJGEKSHHOG-SMDDNHRTSA-N 0 2 382.532 3.173 20 0 GGADLN C[C@H]1Oc2ccccc2N(CC(=O)Nc2cc(Cl)cc(Cl)c2O)C1=O ZINC000536096402 566349445 /nfs/dbraw/zinc/34/94/45/566349445.db2.gz VLDVRPGZBIEJGY-SECBINFHSA-N 0 2 381.215 3.452 20 0 GGADLN CC[C@@H](CS(=O)(=O)Nc1cc(Cl)ccc1OC[C@H]1CCCO1)OC ZINC000421149381 566349749 /nfs/dbraw/zinc/34/97/49/566349749.db2.gz FSKIZQCWELDGGT-UONOGXRCSA-N 0 2 377.890 3.065 20 0 GGADLN COc1ccc(Br)cc1NS(=O)(=O)C[C@@H](CC(C)C)OC ZINC000421152250 566349878 /nfs/dbraw/zinc/34/98/78/566349878.db2.gz JSKIPLGJOPFQCN-GFCCVEGCSA-N 0 2 380.304 3.261 20 0 GGADLN CC[C@H](CS(=O)(=O)Nc1cc(-c2ccc(Br)s2)[nH]n1)OC ZINC000421150975 566350109 /nfs/dbraw/zinc/35/01/09/566350109.db2.gz JJLKRMIOTNNLPW-MRVPVSSYSA-N 0 2 394.316 3.067 20 0 GGADLN CC[C@H](CS(=O)(=O)Nc1cc(Cl)ccc1-c1nc(C2CC2)no1)OC ZINC000421155567 566351350 /nfs/dbraw/zinc/35/13/50/566351350.db2.gz OAELPHMXGDRFFD-GFCCVEGCSA-N 0 2 385.873 3.434 20 0 GGADLN CCOc1cc(Br)c(F)cc1NS(=O)(=O)C[C@@H](CC)OC ZINC000421163524 566351944 /nfs/dbraw/zinc/35/19/44/566351944.db2.gz IISFEORKUGJQII-SECBINFHSA-N 0 2 384.267 3.154 20 0 GGADLN CC[C@H]1CCc2nc(NS(=O)(=O)c3ccc(CNC(C)=O)s3)sc2C1 ZINC000576517348 566352948 /nfs/dbraw/zinc/35/29/48/566352948.db2.gz HGXXURCYQUFVRZ-NSHDSACASA-N 0 2 399.563 3.156 20 0 GGADLN COc1cccc(SC)c1NS(=O)(=O)C[C@@H](Cc1ccccc1)OC ZINC000421166979 566353312 /nfs/dbraw/zinc/35/33/12/566353312.db2.gz RSNSUWSWYYRNLI-OAHLLOKOSA-N 0 2 381.519 3.417 20 0 GGADLN COC(=O)c1ccc(S(=O)(=O)Nc2ccc3c(c2)C(=O)CCCC3)s1 ZINC000421177910 566353345 /nfs/dbraw/zinc/35/33/45/566353345.db2.gz WFKAIDYFFZWCOA-UHFFFAOYSA-N 0 2 379.459 3.245 20 0 GGADLN COC(=O)c1csc(S(=O)(=O)Nc2ccc3c(c2)C(=O)CCCC3)c1 ZINC000421179229 566353755 /nfs/dbraw/zinc/35/37/55/566353755.db2.gz ZLWAHAOAPMZDGX-UHFFFAOYSA-N 0 2 379.459 3.245 20 0 GGADLN CC[C@@H]1CCc2nc(NS(=O)(=O)c3ccc(CNC(C)=O)s3)sc2C1 ZINC000576517342 566354396 /nfs/dbraw/zinc/35/43/96/566354396.db2.gz HGXXURCYQUFVRZ-LLVKDONJSA-N 0 2 399.563 3.156 20 0 GGADLN COC(=O)C(C)(C)c1ccc(S(=O)(=O)Nc2cccc(SC)n2)cc1 ZINC000576530970 566355525 /nfs/dbraw/zinc/35/55/25/566355525.db2.gz WDBKEEXWTRYVBI-UHFFFAOYSA-N 0 2 380.491 3.055 20 0 GGADLN O=S(=O)(Nc1nc2c(s1)COCC2)c1cc(Cl)ccc1OC(F)F ZINC000421222749 566356198 /nfs/dbraw/zinc/35/61/98/566356198.db2.gz CXNRNDMWWAJXOX-UHFFFAOYSA-N 0 2 396.824 3.271 20 0 GGADLN CO[C@@H](CC(C)C)CS(=O)(=O)[N-]c1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000421226582 566356433 /nfs/dbraw/zinc/35/64/33/566356433.db2.gz MUIQRAQCRWVKGH-HOCLYGCPSA-N 0 2 389.587 3.178 20 0 GGADLN CO[C@@H](CC(C)C)CS(=O)(=O)[N-]c1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000421226582 566356436 /nfs/dbraw/zinc/35/64/36/566356436.db2.gz MUIQRAQCRWVKGH-HOCLYGCPSA-N 0 2 389.587 3.178 20 0 GGADLN CCc1nc(C(=O)Nc2nc(-c3ccc(Br)cc3F)n[nH]2)co1 ZINC000483064491 566356538 /nfs/dbraw/zinc/35/65/38/566356538.db2.gz WMDZMUJIKGRLKQ-UHFFFAOYSA-N 0 2 380.177 3.176 20 0 GGADLN CO[C@H](CC(C)C)CS(=O)(=O)[N-]c1nc(C[N@@H+]2CCC[C@@H](C)C2)cs1 ZINC000421226580 566356565 /nfs/dbraw/zinc/35/65/65/566356565.db2.gz MUIQRAQCRWVKGH-GDBMZVCRSA-N 0 2 389.587 3.178 20 0 GGADLN CO[C@H](CC(C)C)CS(=O)(=O)[N-]c1nc(C[N@H+]2CCC[C@@H](C)C2)cs1 ZINC000421226580 566356571 /nfs/dbraw/zinc/35/65/71/566356571.db2.gz MUIQRAQCRWVKGH-GDBMZVCRSA-N 0 2 389.587 3.178 20 0 GGADLN COC(=O)c1cc(S(=O)(=O)Nc2[nH]nc(C)c2-c2ccccc2)cs1 ZINC000536192629 566356806 /nfs/dbraw/zinc/35/68/06/566356806.db2.gz NRIJHBKSTOGJHE-UHFFFAOYSA-N 0 2 377.447 3.034 20 0 GGADLN Cc1cccc(S(=O)(=O)Nc2cccc3[nH]c(=O)oc32)c1Br ZINC000576559506 566357312 /nfs/dbraw/zinc/35/73/12/566357312.db2.gz XICXRRLVWOVOHP-UHFFFAOYSA-N 0 2 383.223 3.405 20 0 GGADLN COCCOc1ccccc1S(=O)(=O)Nc1nc2c(s1)CCC2(C)C ZINC000421231957 566357280 /nfs/dbraw/zinc/35/72/80/566357280.db2.gz KOEGWLPZRRZZHY-UHFFFAOYSA-N 0 2 382.507 3.193 20 0 GGADLN COCc1ccc(OC)c(S(=O)(=O)Nc2nc3c(s2)CCC3(C)C)c1 ZINC000421234791 566357387 /nfs/dbraw/zinc/35/73/87/566357387.db2.gz QJAAZKWFWJZGHE-UHFFFAOYSA-N 0 2 382.507 3.323 20 0 GGADLN COC(=O)c1cc(F)cc(S(=O)(=O)Nc2nc(C(C)C)c(C)s2)c1F ZINC000600668652 566357542 /nfs/dbraw/zinc/35/75/42/566357542.db2.gz OGGNFALJQJQAQM-UHFFFAOYSA-N 0 2 390.433 3.441 20 0 GGADLN COC(=O)c1cc(F)cc(S(=O)(=O)N[C@@H](C(C)(C)C)C(F)(F)F)c1F ZINC000600666834 566357847 /nfs/dbraw/zinc/35/78/47/566357847.db2.gz GTZCMMHRRHPOQH-LBPRGKRZSA-N 0 2 389.342 3.007 20 0 GGADLN COC(=O)c1scc(C)c1S(=O)(=O)Nc1nc2c(s1)CCC2(C)C ZINC000421231720 566358189 /nfs/dbraw/zinc/35/81/89/566358189.db2.gz KEIDEISDMBVWMD-UHFFFAOYSA-N 0 2 386.520 3.324 20 0 GGADLN CC[C@H](CS(=O)(=O)Nc1nc(C)c(Cc2c(F)cccc2F)s1)OC ZINC000421236944 566358241 /nfs/dbraw/zinc/35/82/41/566358241.db2.gz AVYRBANIFWMQKF-LLVKDONJSA-N 0 2 390.477 3.487 20 0 GGADLN COc1cc(SC)ccc1NS(=O)(=O)c1cc(OC)c(OC)cc1F ZINC000446637378 566358415 /nfs/dbraw/zinc/35/84/15/566358415.db2.gz KEARHFVBEBJONY-UHFFFAOYSA-N 0 2 387.454 3.374 20 0 GGADLN COC(=O)c1cc(F)cc(S(=O)(=O)Nc2ccc(SC)cc2OC)c1 ZINC000446633045 566358466 /nfs/dbraw/zinc/35/84/66/566358466.db2.gz WMWCICOYXSPYRQ-UHFFFAOYSA-N 0 2 385.438 3.144 20 0 GGADLN COc1cc(SC)ccc1NS(=O)(=O)c1cc2c(cc1Cl)NC(=O)C2 ZINC000446621268 566358778 /nfs/dbraw/zinc/35/87/78/566358778.db2.gz WCBBOHMJSVTUAB-UHFFFAOYSA-N 0 2 398.893 3.366 20 0 GGADLN Cc1ccc(-c2n[nH]c(=O)[nH]2)cc1NC(=O)c1cc(Br)ccc1O ZINC000670383279 566359026 /nfs/dbraw/zinc/35/90/26/566359026.db2.gz JOFDHNLZQZSYRB-UHFFFAOYSA-N 0 2 389.209 3.206 20 0 GGADLN COc1cc(SC)ccc1NS(=O)(=O)c1cnc2c(Cl)c(C)nn2c1 ZINC000446620037 566359685 /nfs/dbraw/zinc/35/96/85/566359685.db2.gz LXUYQSCXAILFNI-UHFFFAOYSA-N 0 2 398.897 3.222 20 0 GGADLN COC(=O)c1ccc(F)cc1S(=O)(=O)Nc1ccc(SC)cc1OC ZINC000446626409 566359914 /nfs/dbraw/zinc/35/99/14/566359914.db2.gz XGRFRHXOOVRGJT-UHFFFAOYSA-N 0 2 385.438 3.144 20 0 GGADLN COc1cc(C(=O)Nc2cccc(-c3n[nH]c(=O)[nH]3)c2)sc1Br ZINC000557086176 566360402 /nfs/dbraw/zinc/36/04/02/566360402.db2.gz YACVLDVHXQKZTL-UHFFFAOYSA-N 0 2 395.238 3.262 20 0 GGADLN CC(C)(C)c1nnc(NS(=O)(=O)c2cc(Cl)ccc2OC(F)F)o1 ZINC000421252608 566360362 /nfs/dbraw/zinc/36/03/62/566360362.db2.gz UOHNFMMRCMSFLN-UHFFFAOYSA-N 0 2 381.788 3.423 20 0 GGADLN CN(C(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1)C1CC(C)(C)C1 ZINC000576599111 566361050 /nfs/dbraw/zinc/36/10/50/566361050.db2.gz QVTMBTGESCKDMP-UHFFFAOYSA-N 0 2 379.507 3.205 20 0 GGADLN CCN(C[C@H](C)OC)C(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1 ZINC000462869658 566363131 /nfs/dbraw/zinc/36/31/31/566363131.db2.gz XJIMWUFEJYGVQG-ZDUSSCGKSA-N 0 2 382.507 3.046 20 0 GGADLN Cc1nc(N2C[C@@H](c3ccc(Br)cc3)[C@H](C(=O)[O-])C2)c(C)c(C)[nH+]1 ZINC000649408631 566364434 /nfs/dbraw/zinc/36/44/34/566364434.db2.gz YHPVLUYSUJIGJL-JKSUJKDBSA-N 0 2 390.281 3.469 20 0 GGADLN O=c1[nH]c2cccc(NS(=O)(=O)c3cc(Br)ccc3F)c2o1 ZINC000576630721 566364697 /nfs/dbraw/zinc/36/46/97/566364697.db2.gz YQAFHCOXKGXUBX-UHFFFAOYSA-N 0 2 387.186 3.236 20 0 GGADLN COc1cc(Cl)ccc1S(=O)(=O)Nc1ccc(Br)cn1 ZINC000649449769 566365140 /nfs/dbraw/zinc/36/51/40/566365140.db2.gz LKJRPOPFGOTQJU-UHFFFAOYSA-N 0 2 377.647 3.307 20 0 GGADLN CS(=O)(=O)c1c(Cl)cccc1NS(=O)(=O)Cc1ccccc1Cl ZINC000446771782 566365330 /nfs/dbraw/zinc/36/53/30/566365330.db2.gz ZVPYZJLYGUAIFI-UHFFFAOYSA-N 0 2 394.301 3.339 20 0 GGADLN COC(=O)c1ccsc1NS(=O)(=O)Cc1ccc(Br)cc1 ZINC000446757224 566365813 /nfs/dbraw/zinc/36/58/13/566365813.db2.gz RZFOSCRZQAGYRM-UHFFFAOYSA-N 0 2 390.280 3.239 20 0 GGADLN COc1cc(Cl)ccc1S(=O)(=O)Nc1ccccc1N1CCCC1=O ZINC000649467497 566365903 /nfs/dbraw/zinc/36/59/03/566365903.db2.gz VPJGRVUZZJOKTF-UHFFFAOYSA-N 0 2 380.853 3.276 20 0 GGADLN COc1ccc(-c2nnc(NS(=O)(=O)c3cc(F)cc(Cl)c3)o2)cc1 ZINC000446780432 566366204 /nfs/dbraw/zinc/36/62/04/566366204.db2.gz JXPXIROCKUTKNB-UHFFFAOYSA-N 0 2 383.788 3.339 20 0 GGADLN O=S(=O)(Nc1nnc(Cc2ccc(F)cc2)o1)c1cc(F)cc(Cl)c1 ZINC000446768533 566366380 /nfs/dbraw/zinc/36/63/80/566366380.db2.gz MCTOLTWPHVEQIO-UHFFFAOYSA-N 0 2 385.779 3.393 20 0 GGADLN COc1cc(Cl)ccc1S(=O)(=O)Nc1cc(Cl)ccc1-n1cncn1 ZINC000649467196 566366512 /nfs/dbraw/zinc/36/65/12/566366512.db2.gz ZVRBGIMQUCDUFR-UHFFFAOYSA-N 0 2 399.259 3.384 20 0 GGADLN COc1ccc(-c2nnc(NS(=O)(=O)c3ccccc3SC)o2)cc1 ZINC000446776085 566366648 /nfs/dbraw/zinc/36/66/48/566366648.db2.gz MACZXSGBRGMCIV-UHFFFAOYSA-N 0 2 377.447 3.268 20 0 GGADLN Cc1c(Br)scc1C(=O)N=c1nc(-c2cccnc2)[nH]s1 ZINC000483252304 566367852 /nfs/dbraw/zinc/36/78/52/566367852.db2.gz HPZVFMSZYVKHNH-UHFFFAOYSA-N 0 2 381.280 3.407 20 0 GGADLN C[C@H]1C[N@H+](Cc2c(F)ccc(I)c2F)CC[C@@H]1C(=O)[O-] ZINC000600798508 566368067 /nfs/dbraw/zinc/36/80/67/566368067.db2.gz CEJZUWISOGOIRS-IUCAKERBSA-N 0 2 395.187 3.112 20 0 GGADLN C[C@H]1C[N@@H+](Cc2c(F)ccc(I)c2F)CC[C@@H]1C(=O)[O-] ZINC000600798508 566368068 /nfs/dbraw/zinc/36/80/68/566368068.db2.gz CEJZUWISOGOIRS-IUCAKERBSA-N 0 2 395.187 3.112 20 0 GGADLN CCOC(=O)c1sc(NS(=O)(=O)c2c(C)cc(C)cc2OC)nc1C ZINC000446825805 566368243 /nfs/dbraw/zinc/36/82/43/566368243.db2.gz DYNDOFLWLIIIBG-UHFFFAOYSA-N 0 2 384.479 3.054 20 0 GGADLN COC(=O)c1ccc(S(=O)(=O)Nc2cc(Cl)c(Cl)cn2)cc1F ZINC000446819193 566368614 /nfs/dbraw/zinc/36/86/14/566368614.db2.gz WCZTXJVBGQQIGA-UHFFFAOYSA-N 0 2 379.196 3.115 20 0 GGADLN COC(=O)c1sccc1NC(=O)C(=O)Nc1cc(Cl)c(O)c(Cl)c1 ZINC000446872722 566368934 /nfs/dbraw/zinc/36/89/34/566368934.db2.gz UPBPVABZOIMBOE-UHFFFAOYSA-N 0 2 389.216 3.124 20 0 GGADLN O=C(Nc1ccc2c(c1)OCCO2)C(=O)Nc1cc(Cl)c(O)c(Cl)c1 ZINC000446850740 566369603 /nfs/dbraw/zinc/36/96/03/566369603.db2.gz CJYJJTBAQYPHDF-UHFFFAOYSA-N 0 2 383.187 3.047 20 0 GGADLN COC(=O)c1cccc(NC(=O)C(=O)Nc2cc(Cl)c(O)c(Cl)c2)c1 ZINC000446869208 566369947 /nfs/dbraw/zinc/36/99/47/566369947.db2.gz XQNHXNWDTFZQQI-UHFFFAOYSA-N 0 2 383.187 3.063 20 0 GGADLN O=S(=O)(Nc1nnc(Cc2ccsc2)o1)c1ccc2c(c1)CCCC2 ZINC000446951998 566372831 /nfs/dbraw/zinc/37/28/31/566372831.db2.gz KIIFYRNNCUIPAC-UHFFFAOYSA-N 0 2 375.475 3.402 20 0 GGADLN COc1ccc2c(c1)[nH]nc2NS(=O)(=O)c1ccc(C)c(Br)c1 ZINC000446958805 566372948 /nfs/dbraw/zinc/37/29/48/566372948.db2.gz RTGMLSDFYJIJFO-UHFFFAOYSA-N 0 2 396.266 3.443 20 0 GGADLN Cc1cc(S(=O)(=O)Nc2c[nH]nc2-c2nccs2)ccc1Br ZINC000446944653 566372984 /nfs/dbraw/zinc/37/29/84/566372984.db2.gz VZDIQUBETAGDIS-UHFFFAOYSA-N 0 2 399.295 3.405 20 0 GGADLN O=S(=O)(Nc1c[nH]nc1-c1nccs1)c1cccc(OC(F)(F)F)c1 ZINC000446948622 566373052 /nfs/dbraw/zinc/37/30/52/566373052.db2.gz 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COC(=O)c1ccc(S(=O)(=O)N[C@@H](c2ccccc2)C(F)(F)F)s1 ZINC000515751621 566730795 /nfs/dbraw/zinc/73/07/95/566730795.db2.gz UUIPIUMPCCYDAK-LBPRGKRZSA-N 0 2 379.381 3.117 20 0 GGADLN CC[C@@H](C)Oc1cccc(NS(=O)(=O)c2cn(C)nc2C(F)(F)F)c1 ZINC000450992047 566730758 /nfs/dbraw/zinc/73/07/58/566730758.db2.gz LWCWOHIFJAYYQL-SNVBAGLBSA-N 0 2 377.388 3.417 20 0 GGADLN CC[C@@H](C)Oc1ccc(NS(=O)(=O)c2cn(C)nc2C(F)(F)F)cc1 ZINC000450988625 566730838 /nfs/dbraw/zinc/73/08/38/566730838.db2.gz BGNIAKYFORIJFO-SNVBAGLBSA-N 0 2 377.388 3.417 20 0 GGADLN Cc1csc(S(=O)(=O)Nc2ccc(OCCO)cc2C(F)(F)F)c1 ZINC000450990263 566730853 /nfs/dbraw/zinc/73/08/53/566730853.db2.gz GZKUAGMWPUNAKV-UHFFFAOYSA-N 0 2 381.397 3.247 20 0 GGADLN O=S(=O)(Nc1nnc(Cc2ccc(F)cc2)s1)c1cncc(Cl)c1 ZINC000677233234 566731557 /nfs/dbraw/zinc/73/15/57/566731557.db2.gz FJNBDPSCNHDNTO-UHFFFAOYSA-N 0 2 384.845 3.117 20 0 GGADLN CCCCOc1cccc(NS(=O)(=O)c2cn(C)nc2C(F)(F)F)c1 ZINC000450993516 566732076 /nfs/dbraw/zinc/73/20/76/566732076.db2.gz QOHBWTFCRIEWQJ-UHFFFAOYSA-N 0 2 377.388 3.419 20 0 GGADLN COCCc1ncc(C[NH2+][C@@H](C(=O)[O-])c2ccccc2Br)s1 ZINC000630452938 566732114 /nfs/dbraw/zinc/73/21/14/566732114.db2.gz HGLJBHQRCVJGAT-CQSZACIVSA-N 0 2 385.283 3.010 20 0 GGADLN COCCc1ncc(C[NH2+][C@H](C(=O)[O-])c2ccccc2Br)s1 ZINC000630452937 566732515 /nfs/dbraw/zinc/73/25/15/566732515.db2.gz HGLJBHQRCVJGAT-AWEZNQCLSA-N 0 2 385.283 3.010 20 0 GGADLN COc1cc(Br)c(C[NH2+][C@H](C(=O)[O-])c2cccs2)cc1OC ZINC000426817557 566732653 /nfs/dbraw/zinc/73/26/53/566732653.db2.gz BZHWOCXUUDTWSC-AWEZNQCLSA-N 0 2 386.267 3.443 20 0 GGADLN C[C@H]1C[NH+](Cc2cccc([N-]S(=O)(=O)c3sccc3F)c2)C[C@H](C)O1 ZINC000451002418 566732929 /nfs/dbraw/zinc/73/29/29/566732929.db2.gz JPVPCOUZWXWSHG-STQMWFEESA-N 0 2 384.498 3.297 20 0 GGADLN CC(C)(C)c1ncc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2O)cn1 ZINC000450994528 566733108 /nfs/dbraw/zinc/73/31/08/566733108.db2.gz ZJUGUXCBRPUTRQ-UHFFFAOYSA-N 0 2 375.372 3.299 20 0 GGADLN CO[C@@H](C)CS(=O)(=O)Nc1nc(C)c(Cc2ccc(F)c(F)c2F)s1 ZINC000451009799 566733835 /nfs/dbraw/zinc/73/38/35/566733835.db2.gz LYECTIFKUFXULY-QMMMGPOBSA-N 0 2 394.440 3.236 20 0 GGADLN O=C(Cc1ccc(NS(=O)(=O)c2cccs2)cc1)N[C@@H]1CCC[C@@H]1F ZINC000580913754 566733986 /nfs/dbraw/zinc/73/39/86/566733986.db2.gz IYMDNSMCCUYZGJ-LSDHHAIUSA-N 0 2 382.482 3.098 20 0 GGADLN O=C(c1cc(Br)cc(Cl)c1O)N1CCO[C@@H](C(F)(F)F)C1 ZINC000608760532 566734125 /nfs/dbraw/zinc/73/41/25/566734125.db2.gz IZPWYZCLTUKTRJ-SECBINFHSA-N 0 2 388.567 3.211 20 0 GGADLN O=S(=O)(N[C@@H](C1CC1)C(F)(F)F)c1cccc(Br)c1F ZINC000561730833 566734281 /nfs/dbraw/zinc/73/42/81/566734281.db2.gz UVJSBRUHCCIQEI-JTQLQIEISA-N 0 2 376.169 3.207 20 0 GGADLN COC(=O)c1ncccc1S(=O)(=O)Nc1cccc(Cl)c1OC(C)C ZINC000451007038 566734532 /nfs/dbraw/zinc/73/45/32/566734532.db2.gz BPFMBDLEAZVELL-UHFFFAOYSA-N 0 2 384.841 3.110 20 0 GGADLN Cc1csc(S(=O)(=O)Nc2ccc(C(=O)N3CCSCC3)cc2C)c1 ZINC000451006077 566734756 /nfs/dbraw/zinc/73/47/56/566734756.db2.gz ZLEAVPNIYWIXJO-UHFFFAOYSA-N 0 2 396.559 3.355 20 0 GGADLN O=C([O-])c1ccc(C[NH2+]Cc2ncc(Br)cc2F)nc1C1CC1 ZINC000630459761 566735066 /nfs/dbraw/zinc/73/50/66/566735066.db2.gz IGVOBBYDZYQHGH-UHFFFAOYSA-N 0 2 380.217 3.244 20 0 GGADLN COc1ccc(S(=O)(=O)Nc2cc(C)nn2-c2ccccn2)c(Cl)c1 ZINC000561761012 566737389 /nfs/dbraw/zinc/73/73/89/566737389.db2.gz SAHXEYBQQZHRHA-UHFFFAOYSA-N 0 2 378.841 3.039 20 0 GGADLN CCOC(=O)[C@@H]1CCCc2sc(NS(=O)(=O)c3cc(C)cs3)nc21 ZINC000451027609 566738004 /nfs/dbraw/zinc/73/80/04/566738004.db2.gz BBYCCKVWLKDWIG-SNVBAGLBSA-N 0 2 386.520 3.297 20 0 GGADLN CCOC(=O)[C@H]1CCCc2sc(NS(=O)(=O)c3sccc3C)nc21 ZINC000451034085 566738885 /nfs/dbraw/zinc/73/88/85/566738885.db2.gz VZSBBPVKOLAZSJ-JTQLQIEISA-N 0 2 386.520 3.297 20 0 GGADLN C[C@@H](C1CC1)n1cc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2O)cn1 ZINC000451034542 566738912 /nfs/dbraw/zinc/73/89/12/566738912.db2.gz XIKHDSAMCKFJFK-VIFPVBQESA-N 0 2 375.372 3.379 20 0 GGADLN Cc1cc(Br)cc(NS(=O)(=O)c2cn(C)nc2C(F)(F)F)c1 ZINC000451028200 566738964 /nfs/dbraw/zinc/73/89/64/566738964.db2.gz CVHZWHLJRFOBNI-UHFFFAOYSA-N 0 2 398.204 3.311 20 0 GGADLN Cc1c(S(=O)(=O)Nc2cc(F)ccc2O)cnn1-c1ccc(Cl)cc1 ZINC000468872052 566740016 /nfs/dbraw/zinc/74/00/16/566740016.db2.gz HHEWQKZWKTYRKX-UHFFFAOYSA-N 0 2 381.816 3.480 20 0 GGADLN COC(=O)c1ccc(Cl)cc1S(=O)(=O)Nc1cccc2c1ccn2C ZINC000608875650 566740689 /nfs/dbraw/zinc/74/06/89/566740689.db2.gz PZFQZQJJKAUKHL-UHFFFAOYSA-N 0 2 378.837 3.419 20 0 GGADLN COC(=O)C(C)(C)c1csc(NS(=O)(=O)Cc2cc(C)cc(C)c2)n1 ZINC000451036330 566741299 /nfs/dbraw/zinc/74/12/99/566741299.db2.gz HTGQBQFXXNDKMP-UHFFFAOYSA-N 0 2 382.507 3.152 20 0 GGADLN COCCc1ccccc1NS(=O)(=O)c1cc(C(F)(F)F)ccc1O ZINC000451044059 566742176 /nfs/dbraw/zinc/74/21/76/566742176.db2.gz USFAWBSXPREYFR-UHFFFAOYSA-N 0 2 375.368 3.401 20 0 GGADLN OC[C@@H](N=c1nc(-c2ccccc2)o[nH]1)c1ccc(Br)c(F)c1 ZINC000488711689 566742933 /nfs/dbraw/zinc/74/29/33/566742933.db2.gz HYJRRRVJRCYCRM-CQSZACIVSA-N 0 2 378.201 3.206 20 0 GGADLN CCOC(=O)c1sc(NS(=O)(=O)c2cccc(Cl)c2F)nc1C ZINC000608927437 566743285 /nfs/dbraw/zinc/74/32/85/566743285.db2.gz QIPMYQJWKOXLGP-UHFFFAOYSA-N 0 2 378.834 3.222 20 0 GGADLN COC(=O)c1sc(NS(=O)(=O)c2ccc(OCC(C)C)cc2)nc1C ZINC000608928510 566743549 /nfs/dbraw/zinc/74/35/49/566743549.db2.gz DUJDQPXOXMGYEL-UHFFFAOYSA-N 0 2 384.479 3.074 20 0 GGADLN COc1cc(Cl)ccc1S(=O)(=O)Nc1cncc(Br)c1 ZINC000677418891 566745183 /nfs/dbraw/zinc/74/51/83/566745183.db2.gz QPNLXIIVCNQXHB-UHFFFAOYSA-N 0 2 377.647 3.307 20 0 GGADLN COc1cc(C)c(S(=O)(=O)Nc2nc(CC(F)(F)F)cs2)cc1OC ZINC000451059997 566745738 /nfs/dbraw/zinc/74/57/38/566745738.db2.gz VUIUEPVPCTWBMD-UHFFFAOYSA-N 0 2 396.412 3.374 20 0 GGADLN COC(=O)c1cc(S(=O)(=O)Nc2cc(Cl)cc(Cl)c2O)cs1 ZINC000541793003 566747693 /nfs/dbraw/zinc/74/76/93/566747693.db2.gz KTQCLSNZBNDPIU-UHFFFAOYSA-N 0 2 382.246 3.348 20 0 GGADLN Cc1csc(Sc2ccc(NS(=O)(=O)c3cnn(C)c3C)cc2)n1 ZINC000427112354 566748112 /nfs/dbraw/zinc/74/81/12/566748112.db2.gz BTDOXBAUXOVTTN-UHFFFAOYSA-N 0 2 380.520 3.445 20 0 GGADLN CCc1sc(NS(=O)(=O)C[C@@H](C)OC)nc1-c1ncccc1Cl ZINC000451075944 566748321 /nfs/dbraw/zinc/74/83/21/566748321.db2.gz CZDGQJZOCQOSPS-SECBINFHSA-N 0 2 375.903 3.198 20 0 GGADLN C[C@H](NC(=O)N=c1nc(-c2cccc(Cl)c2)[nH]s1)C(=O)OC(C)(C)C ZINC000541796786 566749625 /nfs/dbraw/zinc/74/96/25/566749625.db2.gz KITLAUZBXJRNKL-VIFPVBQESA-N 0 2 382.873 3.132 20 0 GGADLN Cc1csc(C(=O)N=c2nc(-c3cccnc3)[nH]s2)c1Br ZINC000488837649 566750076 /nfs/dbraw/zinc/75/00/76/566750076.db2.gz YVZWIYVLMFDPMR-UHFFFAOYSA-N 0 2 381.280 3.407 20 0 GGADLN CC(=O)Nc1cc(F)c(S(=O)(=O)N[C@H](C(C)(C)C)C(F)(F)F)c(F)c1 ZINC000541826128 566752733 /nfs/dbraw/zinc/75/27/33/566752733.db2.gz UINZPKFIJZFLAD-GFCCVEGCSA-N 0 2 388.358 3.179 20 0 GGADLN Cc1c(NS(=O)(=O)c2ccc(Cl)cc2Cl)cnn1[C@H]1CCOC1 ZINC000451092873 566753469 /nfs/dbraw/zinc/75/34/69/566753469.db2.gz CZVGECRXDHLNSJ-NSHDSACASA-N 0 2 376.265 3.261 20 0 GGADLN O=S(=O)(CCc1ccc2c(c1)CCO2)Nc1cc(-c2cccs2)n[nH]1 ZINC000581166252 566755368 /nfs/dbraw/zinc/75/53/68/566755368.db2.gz BXWRWOSIGGHQAB-UHFFFAOYSA-N 0 2 375.475 3.058 20 0 GGADLN CC(C)(C)n1cc(NS(=O)(=O)c2cccc(OC(F)(F)F)c2F)cn1 ZINC000427196394 566755507 /nfs/dbraw/zinc/75/55/07/566755507.db2.gz KUHAYRQTUIFCIF-UHFFFAOYSA-N 0 2 381.351 3.477 20 0 GGADLN Cc1c(NS(=O)(=O)c2ccc(C(F)(F)F)s2)cnn1[C@H]1CCOC1 ZINC000451096014 566755866 /nfs/dbraw/zinc/75/58/66/566755866.db2.gz MZEBXEQNZNHDTJ-VIFPVBQESA-N 0 2 381.401 3.034 20 0 GGADLN COC(=O)c1scc(C)c1S(=O)(=O)Nc1ccc(C(=O)C(C)C)cc1 ZINC000451098299 566757026 /nfs/dbraw/zinc/75/70/26/566757026.db2.gz RWSSBXGMDMMQNM-UHFFFAOYSA-N 0 2 381.475 3.483 20 0 GGADLN CCOc1cccc(S(=O)(=O)Nc2nc(C(C)C)c(C(=O)OC)s2)c1 ZINC000451099885 566757283 /nfs/dbraw/zinc/75/72/83/566757283.db2.gz ZVELOPOBBMATMD-UHFFFAOYSA-N 0 2 384.479 3.253 20 0 GGADLN CO[C@H]1CC[N@H+](Cc2ncc(-c3ccccc3Br)o2)[C@H](C(=O)[O-])C1 ZINC000516315039 566757461 /nfs/dbraw/zinc/75/74/61/566757461.db2.gz HETMFFVGCWOYEQ-FZMZJTMJSA-N 0 2 395.253 3.168 20 0 GGADLN CO[C@H]1CC[N@@H+](Cc2ncc(-c3ccccc3Br)o2)[C@H](C(=O)[O-])C1 ZINC000516315039 566757471 /nfs/dbraw/zinc/75/74/71/566757471.db2.gz HETMFFVGCWOYEQ-FZMZJTMJSA-N 0 2 395.253 3.168 20 0 GGADLN Cc1c(S(=O)(=O)Nc2cc(Cl)ccc2Sc2nccn2C)cnn1C ZINC000427205691 566757561 /nfs/dbraw/zinc/75/75/61/566757561.db2.gz WDYAZZVLSCRFAP-UHFFFAOYSA-N 0 2 397.913 3.067 20 0 GGADLN CCOC(=O)Cc1cnc(NS(=O)(=O)Cc2ccc(C(F)F)cc2)s1 ZINC000451102110 566758720 /nfs/dbraw/zinc/75/87/20/566758720.db2.gz BEZZDMVNUBWRJE-UHFFFAOYSA-N 0 2 390.433 3.128 20 0 GGADLN O=C(Nc1n[nH]c(Cc2cccc(F)c2)n1)c1cccc(Br)c1O ZINC000541904438 566759551 /nfs/dbraw/zinc/75/95/51/566759551.db2.gz VKLUVYFKJJPGHB-UHFFFAOYSA-N 0 2 391.200 3.255 20 0 GGADLN CC(C)Oc1ccc(Cl)cc1NS(=O)(=O)c1cnn([C@H]2CCOC2)c1 ZINC000516358706 566759863 /nfs/dbraw/zinc/75/98/63/566759863.db2.gz UFKMZMKQHIXGPG-ZDUSSCGKSA-N 0 2 385.873 3.086 20 0 GGADLN O=C(Nc1ccc2c(c1)C(=O)NCC2)c1cc(Br)cc(Cl)c1O ZINC000677698248 566760039 /nfs/dbraw/zinc/76/00/39/566760039.db2.gz MTJPGYQUQMBLPH-UHFFFAOYSA-N 0 2 395.640 3.346 20 0 GGADLN 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567140973 /nfs/dbraw/zinc/14/09/73/567140973.db2.gz BAZBRGZQQHMSQA-UHFFFAOYSA-N 0 2 386.568 3.195 20 0 GGADLN Cc1ccc(Cl)c(S(=O)(=O)Nc2cnn(C[C@@H]3CCCO3)c2)c1Cl ZINC000614837344 567143635 /nfs/dbraw/zinc/14/36/35/567143635.db2.gz HTXTUWTUHGTBTA-LBPRGKRZSA-N 0 2 390.292 3.478 20 0 GGADLN Cc1ccc(Br)cc1S(=O)(=O)Nc1ccccc1-c1nnc[nH]1 ZINC000498021109 567143937 /nfs/dbraw/zinc/14/39/37/567143937.db2.gz ASKQNWOGGQMZSI-UHFFFAOYSA-N 0 2 393.266 3.343 20 0 GGADLN Cc1ccc(Br)c(S(=O)(=O)Nc2cccc3c2oc(=O)n3C)c1 ZINC000498032047 567145386 /nfs/dbraw/zinc/14/53/86/567145386.db2.gz ODPDHSAFLJAWKN-UHFFFAOYSA-N 0 2 397.250 3.003 20 0 GGADLN O=S(=O)(Nc1ccccc1-c1nc[nH]n1)c1cc(Br)ccc1F ZINC000498034214 567145733 /nfs/dbraw/zinc/14/57/33/567145733.db2.gz ZGLHMIXBXRVZEQ-UHFFFAOYSA-N 0 2 397.229 3.174 20 0 GGADLN Cc1n[nH]c(C(F)F)c1NS(=O)(=O)Cc1ccc(OC(F)(F)F)cc1 ZINC000683708942 567146591 /nfs/dbraw/zinc/14/65/91/567146591.db2.gz CTRKHQOEPRHHJI-UHFFFAOYSA-N 0 2 385.314 3.496 20 0 GGADLN COc1cccc(S(=O)(=O)Nc2nnc(Cc3ccc(Cl)cc3)o2)c1 ZINC000683714165 567146979 /nfs/dbraw/zinc/14/69/79/567146979.db2.gz ZCDVPXAPRJEPAZ-UHFFFAOYSA-N 0 2 379.825 3.123 20 0 GGADLN CC[C@H](C)[C@@H](NS(=O)(=O)CCCOc1ccc(OC)cc1)C(F)(F)F ZINC000683719045 567147151 /nfs/dbraw/zinc/14/71/51/567147151.db2.gz ZNWPBEXPHJQUKL-SWLSCSKDSA-N 0 2 383.432 3.361 20 0 GGADLN O=S(=O)(Cc1ccc(OC(F)(F)F)cc1)Nc1nc2c(s1)COCC2 ZINC000683708415 567147205 /nfs/dbraw/zinc/14/72/05/567147205.db2.gz LMVRAXOQSCYZIN-UHFFFAOYSA-N 0 2 394.396 3.056 20 0 GGADLN CC(=O)N[C@H](C)c1ccc(S(=O)(=O)Nc2nc(C3CCC3)cs2)s1 ZINC000683718754 567147255 /nfs/dbraw/zinc/14/72/55/567147255.db2.gz PLOCCFMKWNANRK-SECBINFHSA-N 0 2 385.536 3.470 20 0 GGADLN CC(=O)Nc1nc(C)c(S(=O)(=O)Nc2ccc(C)c(OC(C)C)c2)s1 ZINC000683731679 567149078 /nfs/dbraw/zinc/14/90/78/567149078.db2.gz LGPXDGGUXFKOKU-UHFFFAOYSA-N 0 2 383.495 3.306 20 0 GGADLN Cc1cc(NS(=O)(=O)c2ccc(F)cc2Cl)n(Cc2ccccn2)n1 ZINC000432347916 567151809 /nfs/dbraw/zinc/15/18/09/567151809.db2.gz 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LSOBSEYZWGKVHR-CQSZACIVSA-N 0 2 399.191 3.081 20 0 GGADLN CN(CC1CCCCC1)C(=O)C[NH2+][C@@H](C(=O)[O-])c1ccc(Br)cc1 ZINC000737408778 599791678 /nfs/dbraw/zinc/79/16/78/599791678.db2.gz BNOVGGWYKAHZTR-QGZVFWFLSA-N 0 2 397.313 3.203 20 0 GGADLN O=C([O-])[C@@H]([NH2+]CC(=O)N(C1CC1)C1CCCC1)c1ccc(Br)cc1 ZINC000739510018 599792715 /nfs/dbraw/zinc/79/27/15/599792715.db2.gz WTTHXTAATSKZSO-KRWDZBQOSA-N 0 2 395.297 3.098 20 0 GGADLN O=C([O-])[C@H](c1ccc(Cl)cc1)[NH+]1CCN(C(=O)c2cccc(F)c2F)CC1 ZINC000739514298 599817667 /nfs/dbraw/zinc/81/76/67/599817667.db2.gz WUBFHQFBARIPTD-KRWDZBQOSA-N 0 2 394.805 3.202 20 0 GGADLN COc1ccccc1C[NH+]1CCN(C(=O)Nc2cccc(NC(=O)[O-])c2)CC1 ZINC000738133685 599820071 /nfs/dbraw/zinc/82/00/71/599820071.db2.gz QVXSDWJFLVRANY-UHFFFAOYSA-N 0 2 384.436 3.135 20 0 GGADLN C[C@H](c1cccc(NC(=O)N(C)Cc2ccc(C(=O)[O-])cc2)c1)[NH+]1CCOCC1 ZINC000736718059 599822565 /nfs/dbraw/zinc/82/25/65/599822565.db2.gz PZHBWAJZFGBFNA-MRXNPFEDSA-N 0 2 397.475 3.442 20 0 GGADLN O=C([O-])CCc1ccc(NC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)cc1 ZINC000739760643 599826384 /nfs/dbraw/zinc/82/63/84/599826384.db2.gz VDTLHAHSZVMENK-UHFFFAOYSA-N 0 2 382.464 3.411 20 0 GGADLN COc1ccccc1C[NH+]1CCN(C(=O)Nc2ccc(CCC(=O)[O-])cc2)CC1 ZINC000738128038 599829903 /nfs/dbraw/zinc/82/99/03/599829903.db2.gz HHLIATYEPWDJNL-UHFFFAOYSA-N 0 2 397.475 3.062 20 0 GGADLN CC(C)c1nn(C[N@@H+]2CCCC[C@@H]2CC(=O)[O-])c(=S)n1Cc1ccco1 ZINC000736533233 599839245 /nfs/dbraw/zinc/83/92/45/599839245.db2.gz TZTSMKQBRCGGMS-CQSZACIVSA-N 0 2 378.498 3.465 20 0 GGADLN CC(C)c1nn(C[N@H+]2CCCC[C@@H]2CC(=O)[O-])c(=S)n1Cc1ccco1 ZINC000736533233 599839246 /nfs/dbraw/zinc/83/92/46/599839246.db2.gz TZTSMKQBRCGGMS-CQSZACIVSA-N 0 2 378.498 3.465 20 0 GGADLN Cc1ccc(OCc2nn(C[N@@H+]3CCCC[C@H]3CC(=O)[O-])c(=S)o2)cc1 ZINC000738648689 599839689 /nfs/dbraw/zinc/83/96/89/599839689.db2.gz JEWLEPBZSYPVNN-AWEZNQCLSA-N 0 2 377.466 3.380 20 0 GGADLN Cc1ccc(OCc2nn(C[N@H+]3CCCC[C@H]3CC(=O)[O-])c(=S)o2)cc1 ZINC000738648689 599839690 /nfs/dbraw/zinc/83/96/90/599839690.db2.gz JEWLEPBZSYPVNN-AWEZNQCLSA-N 0 2 377.466 3.380 20 0 GGADLN CCCn1c(-c2ccncc2)nn(C[N@@H+]2CCCC[C@H]2CC(=O)[O-])c1=S ZINC000737051093 599839699 /nfs/dbraw/zinc/83/96/99/599839699.db2.gz PQBHZBCMCLXUNS-HNNXBMFYSA-N 0 2 375.498 3.173 20 0 GGADLN CCCn1c(-c2ccncc2)nn(C[N@H+]2CCCC[C@H]2CC(=O)[O-])c1=S ZINC000737051093 599839700 /nfs/dbraw/zinc/83/97/00/599839700.db2.gz PQBHZBCMCLXUNS-HNNXBMFYSA-N 0 2 375.498 3.173 20 0 GGADLN COc1ccccc1CC1CC[NH+](Cn2nc(C(=O)[O-])c(Cl)c2C)CC1 ZINC000738125466 599841642 /nfs/dbraw/zinc/84/16/42/599841642.db2.gz CTLRMZNQDWNJQZ-UHFFFAOYSA-N 0 2 377.872 3.464 20 0 GGADLN O=C([O-])C[C@H]1CCCC[N@@H+]1Cn1nc(C2CC2)n(Cc2ccco2)c1=S ZINC000739640124 599841841 /nfs/dbraw/zinc/84/18/41/599841841.db2.gz QODNNPKGNZPTGW-CQSZACIVSA-N 0 2 376.482 3.219 20 0 GGADLN O=C([O-])C[C@H]1CCCC[N@H+]1Cn1nc(C2CC2)n(Cc2ccco2)c1=S ZINC000739640124 599841842 /nfs/dbraw/zinc/84/18/42/599841842.db2.gz QODNNPKGNZPTGW-CQSZACIVSA-N 0 2 376.482 3.219 20 0 GGADLN COc1ccc([C@@H]([NH2+]CC(=O)N[C@H](c2cccs2)C(C)(C)C)C(=O)[O-])cc1 ZINC000737970032 599858078 /nfs/dbraw/zinc/85/80/78/599858078.db2.gz HUYJDBUVTUHNAS-QZTJIDSGSA-N 0 2 390.505 3.376 20 0 GGADLN COc1ccc([C@@H]([NH2+]CC(=O)Nc2ccccc2C(F)(F)F)C(=O)[O-])cc1 ZINC000737970123 599859920 /nfs/dbraw/zinc/85/99/20/599859920.db2.gz IIRRBDYJHIMAPY-MRXNPFEDSA-N 0 2 382.338 3.068 20 0 GGADLN COc1ccc([C@@H]([NH2+]CC(=O)Nc2ccc(Cl)c(Cl)c2)C(=O)[O-])cc1 ZINC000737970112 599860397 /nfs/dbraw/zinc/86/03/97/599860397.db2.gz IGPHZZKEARUTOY-MRXNPFEDSA-N 0 2 383.231 3.356 20 0 GGADLN COc1ccc([C@@H]([NH2+]CC(=O)Nc2c(Cl)cccc2Cl)C(=O)[O-])cc1 ZINC000737975496 599860842 /nfs/dbraw/zinc/86/08/42/599860842.db2.gz YJJKPNCNKFBGBZ-OAHLLOKOSA-N 0 2 383.231 3.356 20 0 GGADLN CC[C@H]1c2ccsc2CCN1C(=O)C[NH2+][C@@H](C(=O)[O-])c1ccc(OC)cc1 ZINC000736950607 599861336 /nfs/dbraw/zinc/86/13/36/599861336.db2.gz PPFPJRJWFCZCFS-QFBILLFUSA-N 0 2 388.489 3.008 20 0 GGADLN CC[C@H](NC(=O)C[NH2+][C@H](C(=O)[O-])c1ccc(OC)cc1)c1ccc(Cl)cc1 ZINC000736911396 599862333 /nfs/dbraw/zinc/86/23/33/599862333.db2.gz VPNRGMUUSHCXQN-HKUYNNGSSA-N 0 2 390.867 3.331 20 0 GGADLN COc1ccc([C@@H]([NH2+]CC(=O)Nc2cccc(Cl)c2Cl)C(=O)[O-])cc1 ZINC000737974892 599863453 /nfs/dbraw/zinc/86/34/53/599863453.db2.gz XLNOGKKYOUYWTF-MRXNPFEDSA-N 0 2 383.231 3.356 20 0 GGADLN COc1ccc([C@H]([NH2+]CC(=O)NCC2(c3ccccc3)CCCC2)C(=O)[O-])cc1 ZINC000737974655 599864122 /nfs/dbraw/zinc/86/41/22/599864122.db2.gz VUHCZZBFPJBARS-NRFANRHFSA-N 0 2 396.487 3.039 20 0 GGADLN Cc1[nH]c(C(=O)C[NH+]2CCC([C@@H](O)c3ccc(F)cc3)CC2)c(C)c1C(=O)[O-] ZINC000738152220 599867236 /nfs/dbraw/zinc/86/72/36/599867236.db2.gz ATJKBHIZWQEBNL-FQEVSTJZSA-N 0 2 388.439 3.097 20 0 GGADLN Cc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000738546323 599885971 /nfs/dbraw/zinc/88/59/71/599885971.db2.gz SZVPKJDUNUQUPF-UHFFFAOYSA-N 0 2 391.836 3.333 20 0 GGADLN O=C([O-])c1ccc(S(=O)(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)cc1 ZINC000738690889 599886004 /nfs/dbraw/zinc/88/60/04/599886004.db2.gz YXLKFHZMNIKFQI-UHFFFAOYSA-N 0 2 397.456 3.385 20 0 GGADLN Cc1sc(NC(=O)C[N@@H+]2CCCO[C@H](c3ccccc3)C2)c(C(=O)[O-])c1C ZINC000738397236 599894602 /nfs/dbraw/zinc/89/46/02/599894602.db2.gz DHXKJKJKEDNOJU-INIZCTEOSA-N 0 2 388.489 3.465 20 0 GGADLN Cc1sc(NC(=O)C[N@H+]2CCCO[C@H](c3ccccc3)C2)c(C(=O)[O-])c1C ZINC000738397236 599894603 /nfs/dbraw/zinc/89/46/03/599894603.db2.gz DHXKJKJKEDNOJU-INIZCTEOSA-N 0 2 388.489 3.465 20 0 GGADLN CC(C)[C@H](NC(=O)[O-])C(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000736369116 599914254 /nfs/dbraw/zinc/91/42/54/599914254.db2.gz QJGFMBOZDLJBTG-HOCLYGCPSA-N 0 2 385.867 3.024 20 0 GGADLN O=C([O-])CC[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)c([N+](=O)[O-])c1)c1ccccc1 ZINC000181652292 599932984 /nfs/dbraw/zinc/93/29/84/599932984.db2.gz RCRNFXBIVIKZSF-INIZCTEOSA-N 0 2 394.387 3.116 20 0 GGADLN Cc1ccc(OCc2nn(C[N@@H+](C[C@H](C)C(=O)[O-])C3CC3)c(=S)o2)cc1 ZINC000738648678 599934383 /nfs/dbraw/zinc/93/43/83/599934383.db2.gz HXABHBDQZRELMK-ZDUSSCGKSA-N 0 2 377.466 3.236 20 0 GGADLN Cc1ccc(OCc2nn(C[N@H+](C[C@H](C)C(=O)[O-])C3CC3)c(=S)o2)cc1 ZINC000738648678 599934386 /nfs/dbraw/zinc/93/43/86/599934386.db2.gz HXABHBDQZRELMK-ZDUSSCGKSA-N 0 2 377.466 3.236 20 0 GGADLN CCOc1ccccc1-c1nn(C[N@H+](C[C@H](C)C(=O)[O-])C2CC2)c(=S)o1 ZINC000737212686 599935021 /nfs/dbraw/zinc/93/50/21/599935021.db2.gz HTMVSBMYSSOFNT-LBPRGKRZSA-N 0 2 377.466 3.414 20 0 GGADLN CCOc1ccccc1-c1nn(C[N@@H+](C[C@H](C)C(=O)[O-])C2CC2)c(=S)o1 ZINC000737212686 599935023 /nfs/dbraw/zinc/93/50/23/599935023.db2.gz HTMVSBMYSSOFNT-LBPRGKRZSA-N 0 2 377.466 3.414 20 0 GGADLN CC(C)[C@@H](C(=O)Nc1cccc(CSCC(=O)[O-])c1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000736805173 599951443 /nfs/dbraw/zinc/95/14/43/599951443.db2.gz ASQNKIJLVHTJIZ-CLCXKQKWSA-N 0 2 394.537 3.077 20 0 GGADLN O=C([O-])[C@@H](CNc1[nH+]cnc2c1cnn2-c1ccccc1)Cc1cccc(F)c1 ZINC000739504369 599956017 /nfs/dbraw/zinc/95/60/17/599956017.db2.gz XMDMCWBZORGOEQ-OAHLLOKOSA-N 0 2 391.406 3.310 20 0 GGADLN CC(C)C[C@@H](NC(=O)C[N@@H+]1CCC[C@H]1c1nc2ccccc2s1)C(=O)[O-] ZINC000736412057 599987596 /nfs/dbraw/zinc/98/75/96/599987596.db2.gz KSWBTFWHQLGTRM-CABCVRRESA-N 0 2 375.494 3.049 20 0 GGADLN CC(C)C[C@@H](NC(=O)C[N@H+]1CCC[C@H]1c1nc2ccccc2s1)C(=O)[O-] ZINC000736412057 599987597 /nfs/dbraw/zinc/98/75/97/599987597.db2.gz KSWBTFWHQLGTRM-CABCVRRESA-N 0 2 375.494 3.049 20 0 GGADLN COc1c(C)c[nH+]c(CNC(=O)Nc2cccc(CSCC(=O)[O-])c2)c1C ZINC000737839171 600019969 /nfs/dbraw/zinc/01/99/69/600019969.db2.gz FESJIWHFEDSPDD-UHFFFAOYSA-N 0 2 389.477 3.347 20 0 GGADLN Cc1[nH]c(=O)c(-c2nn[nH]n2)c(C)c1CCC(=O)OC[C@H]1CCCC(C)(C)C1 ZINC000826232868 607414190 /nfs/dbraw/zinc/41/41/90/607414190.db2.gz LPBCQNDKVDBROK-AWEZNQCLSA-N 0 2 387.484 3.276 20 0 GGADLN COc1ccc(C[N@H+](Cc2nc(=O)c3c(C)c(C(=O)[O-])sc3[nH]2)C2CC2)cc1 ZINC000738003203 600049348 /nfs/dbraw/zinc/04/93/48/600049348.db2.gz IPLYNSIWIXFXCB-UHFFFAOYSA-N 0 2 399.472 3.164 20 0 GGADLN COc1ccc(C[N@@H+](Cc2nc(=O)c3c(C)c(C(=O)[O-])sc3[nH]2)C2CC2)cc1 ZINC000738003203 600049351 /nfs/dbraw/zinc/04/93/51/600049351.db2.gz IPLYNSIWIXFXCB-UHFFFAOYSA-N 0 2 399.472 3.164 20 0 GGADLN O=C([O-])c1ccc(CCC(=O)N2CC[NH+](C/C=C\c3ccccc3)CC2)cc1 ZINC000740123129 600063338 /nfs/dbraw/zinc/06/33/38/600063338.db2.gz ZGXBPNGLFPYMHY-DAXSKMNVSA-N 0 2 378.472 3.175 20 0 GGADLN C[C@]([NH2+]CC(=O)Nc1cccc(F)c1)(C(=O)[O-])c1cccc(Br)c1 ZINC000736661635 600078346 /nfs/dbraw/zinc/07/83/46/600078346.db2.gz GNTAQCWQOXVXFV-QGZVFWFLSA-N 0 2 395.228 3.116 20 0 GGADLN C[C@@H]1CCCC[C@H]1NC(=O)C[NH2+][C@](C)(C(=O)[O-])c1cccc(Br)c1 ZINC000736787248 600079136 /nfs/dbraw/zinc/07/91/36/600079136.db2.gz YDDPFBBHCCVTQO-DWQUBVKVSA-N 0 2 397.313 3.033 20 0 GGADLN Cc1ccccc1NC(=O)C[NH2+][C@](C)(C(=O)[O-])c1cccc(Br)c1 ZINC000738778763 600080634 /nfs/dbraw/zinc/08/06/34/600080634.db2.gz UYOMGSHSRSWAOR-SFHVURJKSA-N 0 2 391.265 3.286 20 0 GGADLN Cc1[nH]c(C(=O)[C@H](C)[N@@H+]2CCC[C@H](c3noc(C(C)C)n3)C2)c(C)c1C(=O)[O-] ZINC000738235310 600092209 /nfs/dbraw/zinc/09/22/09/600092209.db2.gz HXYJDOCKVFBKJE-KBPBESRZSA-N 0 2 388.468 3.287 20 0 GGADLN Cc1[nH]c(C(=O)[C@H](C)[N@H+]2CCC[C@H](c3noc(C(C)C)n3)C2)c(C)c1C(=O)[O-] ZINC000738235310 600092214 /nfs/dbraw/zinc/09/22/14/600092214.db2.gz HXYJDOCKVFBKJE-KBPBESRZSA-N 0 2 388.468 3.287 20 0 GGADLN Cc1csc([C@H]2CCC[N@H+](Cc3nc4cc(C(=O)[O-])ccc4c(=O)[nH]3)C2)n1 ZINC000738816910 600092642 /nfs/dbraw/zinc/09/26/42/600092642.db2.gz RLTKMKICYFPBBU-ZDUSSCGKSA-N 0 2 384.461 3.178 20 0 GGADLN Cc1csc([C@H]2CCC[N@@H+](Cc3nc4cc(C(=O)[O-])ccc4c(=O)[nH]3)C2)n1 ZINC000738816910 600092646 /nfs/dbraw/zinc/09/26/46/600092646.db2.gz RLTKMKICYFPBBU-ZDUSSCGKSA-N 0 2 384.461 3.178 20 0 GGADLN COc1cccc([C@@H](C)[NH+]2CCN(C(=O)Nc3cccc(C(=O)[O-])c3)CC2)c1 ZINC000738093718 600108252 /nfs/dbraw/zinc/10/82/52/600108252.db2.gz YHXKDZFJMINEPV-OAHLLOKOSA-N 0 2 383.448 3.304 20 0 GGADLN COc1cccc([C@@H](C)[NH+]2CCN(C(=O)Nc3ccc(CC(=O)[O-])cc3)CC2)c1 ZINC000738090882 600121291 /nfs/dbraw/zinc/12/12/91/600121291.db2.gz JCYBXVHLGCMDAI-MRXNPFEDSA-N 0 2 397.475 3.233 20 0 GGADLN CC[C@@]([NH2+]CC(=O)Nc1cc(Cl)ccc1OC)(C(=O)[O-])c1ccccc1 ZINC000736915974 600131073 /nfs/dbraw/zinc/13/10/73/600131073.db2.gz GLUGYZRXMJOOAR-IBGZPJMESA-N 0 2 376.840 3.267 20 0 GGADLN CC[C@]([NH2+]CC(=O)Nc1cc(Cl)ccc1OC)(C(=O)[O-])c1ccccc1 ZINC000736915976 600131153 /nfs/dbraw/zinc/13/11/53/600131153.db2.gz GLUGYZRXMJOOAR-LJQANCHMSA-N 0 2 376.840 3.267 20 0 GGADLN Cc1ccc(C2=NN(C(=O)C[N@@H+](C)C(C)(C)C(=O)[O-])[C@@H](c3ccco3)C2)cc1 ZINC000738582499 600137857 /nfs/dbraw/zinc/13/78/57/600137857.db2.gz JUJGFBVNUSZJBG-QGZVFWFLSA-N 0 2 383.448 3.061 20 0 GGADLN Cc1ccc(C2=NN(C(=O)C[N@H+](C)C(C)(C)C(=O)[O-])[C@@H](c3ccco3)C2)cc1 ZINC000738582499 600137859 /nfs/dbraw/zinc/13/78/59/600137859.db2.gz JUJGFBVNUSZJBG-QGZVFWFLSA-N 0 2 383.448 3.061 20 0 GGADLN Cc1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)[NH+]1CCC(C(=O)OC(C)(C)C)CC1 ZINC000738518373 600144226 /nfs/dbraw/zinc/14/42/26/600144226.db2.gz 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GGADLN COC(=O)c1ccc2c(c1)C[N@@H+](C[C@H](C)CN1Cc3ccc(C(=O)[O-])cc3C1)C2 ZINC000737703230 600208448 /nfs/dbraw/zinc/20/84/48/600208448.db2.gz UJOBAYVFQNKZHO-OAHLLOKOSA-N 0 2 394.471 3.139 20 0 GGADLN COC(=O)c1ccc2c(c1)C[N@H+](C[C@H](C)CN1Cc3ccc(C(=O)[O-])cc3C1)C2 ZINC000737703230 600208449 /nfs/dbraw/zinc/20/84/49/600208449.db2.gz UJOBAYVFQNKZHO-OAHLLOKOSA-N 0 2 394.471 3.139 20 0 GGADLN Cc1ccc([C@H]2CSCC[N@@H+]2CC(=O)NCc2ccc(NC(=O)[O-])cc2)cc1 ZINC000738582419 600218610 /nfs/dbraw/zinc/21/86/10/600218610.db2.gz JMWDYEGZQKYFRN-LJQANCHMSA-N 0 2 399.516 3.491 20 0 GGADLN Cc1ccc([C@H]2CSCC[N@H+]2CC(=O)NCc2ccc(NC(=O)[O-])cc2)cc1 ZINC000738582419 600218611 /nfs/dbraw/zinc/21/86/11/600218611.db2.gz JMWDYEGZQKYFRN-LJQANCHMSA-N 0 2 399.516 3.491 20 0 GGADLN O=C([O-])Cc1ccc(S(=O)(=O)Nc2ccc([NH+]3CCCCCC3)cc2)cc1 ZINC000739886341 600244570 /nfs/dbraw/zinc/24/45/70/600244570.db2.gz BFNLRZMAUAPYJY-UHFFFAOYSA-N 0 2 388.489 3.495 20 0 GGADLN CCc1ccc(O[C@H](C)C(=O)N2CC[NH+](Cc3ccc(C(=O)[O-])cc3)CC2)cc1 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3.439 20 0 GGADLN O=C([O-])[C@H]1CCC[C@H](C(=O)N2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)C1 ZINC000739568912 601126355 /nfs/dbraw/zinc/12/63/55/601126355.db2.gz RDFCSERSFMYCGD-HOTGVXAUSA-N 0 2 398.425 3.241 20 0 GGADLN CC(=O)N(c1nc(C[N@@H+]2CC[C@H](C(=O)[O-])C2)cs1)c1ccc(Cl)cc1 ZINC000817695070 601149517 /nfs/dbraw/zinc/14/95/17/601149517.db2.gz UMYVSHMBRPUSAS-LBPRGKRZSA-N 0 2 379.869 3.388 20 0 GGADLN CC(=O)N(c1nc(C[N@H+]2CC[C@H](C(=O)[O-])C2)cs1)c1ccc(Cl)cc1 ZINC000817695070 601149519 /nfs/dbraw/zinc/14/95/19/601149519.db2.gz UMYVSHMBRPUSAS-LBPRGKRZSA-N 0 2 379.869 3.388 20 0 GGADLN O=C([O-])c1ccc2c(=O)[nH]c(C[N@H+]3CCC[C@H]3C[C@H](O)c3cccs3)nc2c1 ZINC000833325042 601157081 /nfs/dbraw/zinc/15/70/81/601157081.db2.gz IWHKNGSQRQYGSE-BBRMVZONSA-N 0 2 399.472 3.183 20 0 GGADLN O=C([O-])c1ccc2c(=O)[nH]c(C[N@@H+]3CCC[C@H]3C[C@H](O)c3cccs3)nc2c1 ZINC000833325042 601157083 /nfs/dbraw/zinc/15/70/83/601157083.db2.gz IWHKNGSQRQYGSE-BBRMVZONSA-N 0 2 399.472 3.183 20 0 GGADLN 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Cc1[nH+]c2cc(NS(=O)(=O)c3cc(Cl)cc(C(=O)[O-])c3)ccc2n1C ZINC000833003981 601340279 /nfs/dbraw/zinc/34/02/79/601340279.db2.gz DLWCTIZANOOEON-UHFFFAOYSA-N 0 2 379.825 3.034 20 0 GGADLN COc1ccc(CCn2c(C)cc(C(=O)Cn3cc(C(=O)[O-])[nH+]c3C)c2C)cc1 ZINC000832304854 601402106 /nfs/dbraw/zinc/40/21/06/601402106.db2.gz XWNUSGMAPIXSCD-UHFFFAOYSA-N 0 2 395.459 3.442 20 0 GGADLN CCc1oc(C(=O)[O-])cc1C[NH+]1CCN(Cc2cc(F)ccc2OC)CC1 ZINC000830375553 601411427 /nfs/dbraw/zinc/41/14/27/601411427.db2.gz PPXUHQBIFCGLJL-UHFFFAOYSA-N 0 2 376.428 3.006 20 0 GGADLN CCc1oc(C(=O)[O-])cc1C[NH+]1CCN(C(=O)Cc2ccc(Cl)cc2)CC1 ZINC000830369942 601414089 /nfs/dbraw/zinc/41/40/89/601414089.db2.gz VJJAMVUSYLIVFC-UHFFFAOYSA-N 0 2 390.867 3.081 20 0 GGADLN CCc1oc(C(=O)[O-])cc1C[N@H+](C)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000566359946 601418076 /nfs/dbraw/zinc/41/80/76/601418076.db2.gz MXHPSHOOZZEKDI-OAHLLOKOSA-N 0 2 376.840 3.431 20 0 GGADLN CCc1oc(C(=O)[O-])cc1C[N@@H+](C)[C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000566359946 601418077 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NPODKKNNBMOAPD-PUTJDCORSA-N 0 2 377.243 3.058 20 0 GGADLN C[C@H]1CCC[N@H+](Cc2csc(NC(=O)Nc3cc(C(=O)[O-])n(C)c3)n2)C1 ZINC000828265669 601526079 /nfs/dbraw/zinc/52/60/79/601526079.db2.gz GATMPHQFRVIFLN-NSHDSACASA-N 0 2 377.470 3.056 20 0 GGADLN C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)Nc3cc(C(=O)[O-])n(C)c3)n2)C1 ZINC000828265669 601526081 /nfs/dbraw/zinc/52/60/81/601526081.db2.gz GATMPHQFRVIFLN-NSHDSACASA-N 0 2 377.470 3.056 20 0 GGADLN O=C([O-])[C@@]1(F)CC[N@H+](CC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000833104921 601552118 /nfs/dbraw/zinc/55/21/18/601552118.db2.gz GAONDRQWFKGFQK-RHSMWYFYSA-N 0 2 389.254 3.156 20 0 GGADLN O=C([O-])[C@@]1(F)CC[N@@H+](CC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000833104921 601552119 /nfs/dbraw/zinc/55/21/19/601552119.db2.gz GAONDRQWFKGFQK-RHSMWYFYSA-N 0 2 389.254 3.156 20 0 GGADLN O=C([O-])[C@]1(F)CC[N@H+](CC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000833104923 601552354 /nfs/dbraw/zinc/55/23/54/601552354.db2.gz GAONDRQWFKGFQK-YOEHRIQHSA-N 0 2 389.254 3.156 20 0 GGADLN O=C([O-])[C@]1(F)CC[N@@H+](CC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000833104923 601552356 /nfs/dbraw/zinc/55/23/56/601552356.db2.gz GAONDRQWFKGFQK-YOEHRIQHSA-N 0 2 389.254 3.156 20 0 GGADLN COc1ccc(-n2ccn(C[N@H+](CCC(=O)[O-])Cc3ccncc3)c2=S)cc1 ZINC000832139145 601559442 /nfs/dbraw/zinc/55/94/42/601559442.db2.gz ZYOSXJJPDJIOAV-UHFFFAOYSA-N 0 2 398.488 3.346 20 0 GGADLN COc1ccc(-n2ccn(C[N@@H+](CCC(=O)[O-])Cc3ccncc3)c2=S)cc1 ZINC000832139145 601559445 /nfs/dbraw/zinc/55/94/45/601559445.db2.gz ZYOSXJJPDJIOAV-UHFFFAOYSA-N 0 2 398.488 3.346 20 0 GGADLN CC[N@H+](CC(=O)Nc1sc2c(c1C(=O)[O-])CC[C@@H](C)C2)Cc1ccncc1 ZINC000829624562 601566341 /nfs/dbraw/zinc/56/63/41/601566341.db2.gz YHFHNOQDZOMWIX-CYBMUJFWSA-N 0 2 387.505 3.427 20 0 GGADLN CC[N@@H+](CC(=O)Nc1sc2c(c1C(=O)[O-])CC[C@@H](C)C2)Cc1ccncc1 ZINC000829624562 601566342 /nfs/dbraw/zinc/56/63/42/601566342.db2.gz YHFHNOQDZOMWIX-CYBMUJFWSA-N 0 2 387.505 3.427 20 0 GGADLN O=C([O-])[C@H]1CCCC[N@@H+]1CC(=O)Nc1cccc(CSc2ccccn2)c1 ZINC000833107497 601576296 /nfs/dbraw/zinc/57/62/96/601576296.db2.gz VSYQEVMOUYLKSR-QGZVFWFLSA-N 0 2 385.489 3.252 20 0 GGADLN O=C([O-])[C@H]1CCCC[N@H+]1CC(=O)Nc1cccc(CSc2ccccn2)c1 ZINC000833107497 601576298 /nfs/dbraw/zinc/57/62/98/601576298.db2.gz VSYQEVMOUYLKSR-QGZVFWFLSA-N 0 2 385.489 3.252 20 0 GGADLN Cc1ccc2[nH+]c(CSCC(=O)N[C@@H](c3ccccc3)[C@H](C)C(=O)[O-])cn2c1 ZINC000832961044 601608333 /nfs/dbraw/zinc/60/83/33/601608333.db2.gz ZIAAMFHGZHZKBW-MGPUTAFESA-N 0 2 397.500 3.454 20 0 GGADLN CC(=O)c1ccc(N2CC[NH+](Cc3cc(C(=O)[O-])sc3C)CC2)c(F)c1 ZINC000825951791 601615677 /nfs/dbraw/zinc/61/56/77/601615677.db2.gz OWKVGBCMQIMLRF-UHFFFAOYSA-N 0 2 376.453 3.419 20 0 GGADLN O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1CC(=O)Nc1nc(-c2ccco2)cs1 ZINC000833106515 601619070 /nfs/dbraw/zinc/61/90/70/601619070.db2.gz PESGVZYGQOKXHZ-XBFCOCLRSA-N 0 2 375.450 3.059 20 0 GGADLN O=C([O-])[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1CC(=O)Nc1nc(-c2ccco2)cs1 ZINC000833106515 601619071 /nfs/dbraw/zinc/61/90/71/601619071.db2.gz PESGVZYGQOKXHZ-XBFCOCLRSA-N 0 2 375.450 3.059 20 0 GGADLN CC[C@@]([NH2+]CC(=O)Nc1nc(-c2ccco2)cs1)(C(=O)[O-])c1ccccc1 ZINC000828982982 601632818 /nfs/dbraw/zinc/63/28/18/601632818.db2.gz LUKMCLOSJSXEIW-IBGZPJMESA-N 0 2 385.445 3.321 20 0 GGADLN Cc1[nH+]c(C(=O)[O-])cn1CC(=O)N(CCc1ccccc1)Cc1ccccc1 ZINC000832994862 601639803 /nfs/dbraw/zinc/63/98/03/601639803.db2.gz OUZWUOPDSLLYOX-UHFFFAOYSA-N 0 2 377.444 3.161 20 0 GGADLN Cc1sc(C(=O)[O-])cc1COC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000833031509 601731140 /nfs/dbraw/zinc/73/11/40/601731140.db2.gz MLGHSSFKZADHEU-KRWDZBQOSA-N 0 2 389.473 3.089 20 0 GGADLN Cc1sc(C(=O)[O-])cc1COC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000833031509 601731142 /nfs/dbraw/zinc/73/11/42/601731142.db2.gz MLGHSSFKZADHEU-KRWDZBQOSA-N 0 2 389.473 3.089 20 0 GGADLN C[C@@H]1C[N@H+](Cn2nc(-c3ccccc3)n(Cc3ccco3)c2=S)C[C@H]1C(=O)[O-] ZINC000828462009 601814205 /nfs/dbraw/zinc/81/42/05/601814205.db2.gz FYLDJOGPKYEJCM-RHSMWYFYSA-N 0 2 398.488 3.332 20 0 GGADLN C[C@@H]1C[N@@H+](Cn2nc(-c3ccccc3)n(Cc3ccco3)c2=S)C[C@H]1C(=O)[O-] ZINC000828462009 601814207 /nfs/dbraw/zinc/81/42/07/601814207.db2.gz FYLDJOGPKYEJCM-RHSMWYFYSA-N 0 2 398.488 3.332 20 0 GGADLN C[C@@H]1C[N@H+](Cn2nc(-c3ccc(Br)cc3)oc2=S)C[C@@H]1C(=O)[O-] ZINC000828462538 601815397 /nfs/dbraw/zinc/81/53/97/601815397.db2.gz KNDONGRFWXMRMV-SKDRFNHKSA-N 0 2 398.282 3.245 20 0 GGADLN C[C@@H]1C[N@@H+](Cn2nc(-c3ccc(Br)cc3)oc2=S)C[C@@H]1C(=O)[O-] ZINC000828462538 601815399 /nfs/dbraw/zinc/81/53/99/601815399.db2.gz KNDONGRFWXMRMV-SKDRFNHKSA-N 0 2 398.282 3.245 20 0 GGADLN C[C@@H]1C[N@H+](Cn2nc(-c3ccc(OC(F)F)cc3)oc2=S)C[C@H]1C(=O)[O-] ZINC000828465392 601816579 /nfs/dbraw/zinc/81/65/79/601816579.db2.gz XRVOJRLVWXXGAH-BXKDBHETSA-N 0 2 385.392 3.084 20 0 GGADLN C[C@@H]1C[N@@H+](Cn2nc(-c3ccc(OC(F)F)cc3)oc2=S)C[C@H]1C(=O)[O-] ZINC000828465392 601816580 /nfs/dbraw/zinc/81/65/80/601816580.db2.gz XRVOJRLVWXXGAH-BXKDBHETSA-N 0 2 385.392 3.084 20 0 GGADLN C[C@@H]1C[N@H+](Cn2nc(-c3ccncc3)n(-c3ccccc3)c2=S)C[C@@H]1C(=O)[O-] ZINC000828461916 601818762 /nfs/dbraw/zinc/81/87/62/601818762.db2.gz FFLZKXCBILOFGY-PBHICJAKSA-N 0 2 395.488 3.075 20 0 GGADLN C[C@@H]1C[N@@H+](Cn2nc(-c3ccncc3)n(-c3ccccc3)c2=S)C[C@@H]1C(=O)[O-] ZINC000828461916 601818763 /nfs/dbraw/zinc/81/87/63/601818763.db2.gz FFLZKXCBILOFGY-PBHICJAKSA-N 0 2 395.488 3.075 20 0 GGADLN O=C([O-])c1sccc1C[NH+]1CCN(Cc2nc(-c3ccccc3)co2)CC1 ZINC000833348574 601825208 /nfs/dbraw/zinc/82/52/08/601825208.db2.gz MAZDMLMUZVGUNR-UHFFFAOYSA-N 0 2 383.473 3.419 20 0 GGADLN O=C([O-])CCC1CCN(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)CC1 ZINC000656600466 601838460 /nfs/dbraw/zinc/83/84/60/601838460.db2.gz CDQIZLLZLPUDPC-UHFFFAOYSA-N 0 2 380.514 3.238 20 0 GGADLN O=C([O-])CCC1CC[NH+](CC(=O)Nc2cc3c(cc2Cl)OCCCO3)CC1 ZINC000662218934 601842998 /nfs/dbraw/zinc/84/29/98/601842998.db2.gz XVKXAPBPOGONRV-UHFFFAOYSA-N 0 2 396.871 3.017 20 0 GGADLN O=C([O-])CCC1CC[NH+](CC(=O)Nc2nc(-c3cccs3)cs2)CC1 ZINC000833224378 601845262 /nfs/dbraw/zinc/84/52/62/601845262.db2.gz AXRCJDQGQJBYPQ-UHFFFAOYSA-N 0 2 379.507 3.387 20 0 GGADLN O=C([O-])c1c(F)cccc1S(=O)(=O)Nc1ccc(-n2cc[nH+]c2)c(Cl)c1 ZINC000833294514 601847729 /nfs/dbraw/zinc/84/77/29/601847729.db2.gz IHQILWMSPIAZCM-UHFFFAOYSA-N 0 2 395.799 3.164 20 0 GGADLN O=C([O-])Cc1csc(NC(=O)N[C@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)n1 ZINC000833269476 601858155 /nfs/dbraw/zinc/85/81/55/601858155.db2.gz OMWRBINMCUODNU-RDJZCZTQSA-N 0 2 397.460 3.017 20 0 GGADLN O=C([O-])c1cccc(N2CC(=O)N(C[N@@H+]3CCC[C@@H]3c3cccs3)C2=O)c1 ZINC000833330424 601872631 /nfs/dbraw/zinc/87/26/31/601872631.db2.gz SJPDZCJZRBXWHI-OAHLLOKOSA-N 0 2 385.445 3.010 20 0 GGADLN O=C([O-])c1cccc(N2CC(=O)N(C[N@H+]3CCC[C@@H]3c3cccs3)C2=O)c1 ZINC000833330424 601872634 /nfs/dbraw/zinc/87/26/34/601872634.db2.gz SJPDZCJZRBXWHI-OAHLLOKOSA-N 0 2 385.445 3.010 20 0 GGADLN CC(C)[N@@H+](Cc1ccc(F)cc1)CN1C(=O)CN(c2cccc(C(=O)[O-])c2)C1=O ZINC000826951388 601875076 /nfs/dbraw/zinc/87/50/76/601875076.db2.gz IBMYPRXDRJEFOX-UHFFFAOYSA-N 0 2 399.422 3.161 20 0 GGADLN CC(C)[N@H+](Cc1ccc(F)cc1)CN1C(=O)CN(c2cccc(C(=O)[O-])c2)C1=O ZINC000826951388 601875078 /nfs/dbraw/zinc/87/50/78/601875078.db2.gz IBMYPRXDRJEFOX-UHFFFAOYSA-N 0 2 399.422 3.161 20 0 GGADLN CC(C)[N@@H+](Cc1cccc(F)c1)CN1C(=O)CN(c2cccc(C(=O)[O-])c2)C1=O ZINC000826951334 601875167 /nfs/dbraw/zinc/87/51/67/601875167.db2.gz GHCOULDHJJZMFC-UHFFFAOYSA-N 0 2 399.422 3.161 20 0 GGADLN CC(C)[N@H+](Cc1cccc(F)c1)CN1C(=O)CN(c2cccc(C(=O)[O-])c2)C1=O ZINC000826951334 601875168 /nfs/dbraw/zinc/87/51/68/601875168.db2.gz GHCOULDHJJZMFC-UHFFFAOYSA-N 0 2 399.422 3.161 20 0 GGADLN CC[C@H]1c2ccccc2CC[N@H+]1CN1C(=O)CN(c2cccc(C(=O)[O-])c2)C1=O ZINC000829170598 601879709 /nfs/dbraw/zinc/87/97/09/601879709.db2.gz XADDPSKSZFKBIH-IBGZPJMESA-N 0 2 393.443 3.120 20 0 GGADLN CC[C@H]1c2ccccc2CC[N@@H+]1CN1C(=O)CN(c2cccc(C(=O)[O-])c2)C1=O ZINC000829170598 601879712 /nfs/dbraw/zinc/87/97/12/601879712.db2.gz XADDPSKSZFKBIH-IBGZPJMESA-N 0 2 393.443 3.120 20 0 GGADLN C[C@]1(C(=O)[O-])CC[N@H+](Cn2nc(-c3ccc(OC(F)F)cc3)oc2=S)C1 ZINC000828029037 601890890 /nfs/dbraw/zinc/89/08/90/601890890.db2.gz NVPHPOCJQHQQGI-INIZCTEOSA-N 0 2 385.392 3.228 20 0 GGADLN C[C@]1(C(=O)[O-])CC[N@@H+](Cn2nc(-c3ccc(OC(F)F)cc3)oc2=S)C1 ZINC000828029037 601890892 /nfs/dbraw/zinc/89/08/92/601890892.db2.gz NVPHPOCJQHQQGI-INIZCTEOSA-N 0 2 385.392 3.228 20 0 GGADLN C[C@@]1(C(=O)[O-])CC[N@H+](Cn2[nH]c(-c3ccccc3Br)nc2=S)C1 ZINC000828028968 601893860 /nfs/dbraw/zinc/89/38/60/601893860.db2.gz KIMAHXYLKSODCF-OAHLLOKOSA-N 0 2 397.298 3.124 20 0 GGADLN C[C@@]1(C(=O)[O-])CC[N@@H+](Cn2[nH]c(-c3ccccc3Br)nc2=S)C1 ZINC000828028968 601893861 /nfs/dbraw/zinc/89/38/61/601893861.db2.gz KIMAHXYLKSODCF-OAHLLOKOSA-N 0 2 397.298 3.124 20 0 GGADLN C[C@@]1(C(=O)[O-])CC[N@H+](Cn2nc(-c3cccc(Br)c3)oc2=S)C1 ZINC000828029036 601893987 /nfs/dbraw/zinc/89/39/87/601893987.db2.gz NLTHGJGDNSPDOP-OAHLLOKOSA-N 0 2 398.282 3.389 20 0 GGADLN C[C@@]1(C(=O)[O-])CC[N@@H+](Cn2nc(-c3cccc(Br)c3)oc2=S)C1 ZINC000828029036 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CC(C)c1nn(C)c(N(C)C)c1C[N@H+]1CCc2[nH]c3ccc(C(=O)[O-])cc3c2C1 ZINC000833511818 604549847 /nfs/dbraw/zinc/54/98/47/604549847.db2.gz HPGSHGGBXAPALL-UHFFFAOYSA-N 0 2 395.507 3.347 20 0 GGADLN CCc1ncc(C[NH+]2CCN([C@H](C(=O)[O-])c3ccc(Cl)cc3)CC2)s1 ZINC000833677405 604576630 /nfs/dbraw/zinc/57/66/30/604576630.db2.gz OYEBEPYLXMQNDZ-KRWDZBQOSA-N 0 2 379.913 3.302 20 0 GGADLN Cn1cc[nH+]c1[C@H]1CCN(C(=O)c2cc(NC(=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000833759815 604578904 /nfs/dbraw/zinc/57/89/04/604578904.db2.gz ITWDJIJTUUWQBB-JTQLQIEISA-N 0 2 382.342 3.159 20 0 GGADLN Cc1cc([C@H](C)OC(=O)C[C@H]2C[N@H+](Cc3ccccc3)CCO2)oc1C(=O)[O-] ZINC000832874472 604590036 /nfs/dbraw/zinc/59/00/36/604590036.db2.gz KKUXACYGUFYQMW-RDJZCZTQSA-N 0 2 387.432 3.182 20 0 GGADLN Cc1cc([C@H](C)OC(=O)C[C@H]2C[N@@H+](Cc3ccccc3)CCO2)oc1C(=O)[O-] ZINC000832874472 604590037 /nfs/dbraw/zinc/59/00/37/604590037.db2.gz KKUXACYGUFYQMW-RDJZCZTQSA-N 0 2 387.432 3.182 20 0 GGADLN Cn1cc[nH+]c1[C@@H]1CCN(C(=O)Nc2cccc(CSCCC(=O)[O-])c2)C1 ZINC000833760576 604594725 /nfs/dbraw/zinc/59/47/25/604594725.db2.gz QDXHRUSLHZSZTM-OAHLLOKOSA-N 0 2 388.493 3.149 20 0 GGADLN CC(=O)N(c1nc(C[N@@H+]2CC[C@@H](C(=O)[O-])C2)cs1)c1cccc(Cl)c1 ZINC000819731270 604603964 /nfs/dbraw/zinc/60/39/64/604603964.db2.gz HDRYWVZHXIGKET-GFCCVEGCSA-N 0 2 379.869 3.388 20 0 GGADLN CC(=O)N(c1nc(C[N@H+]2CC[C@@H](C(=O)[O-])C2)cs1)c1cccc(Cl)c1 ZINC000819731270 604603965 /nfs/dbraw/zinc/60/39/65/604603965.db2.gz HDRYWVZHXIGKET-GFCCVEGCSA-N 0 2 379.869 3.388 20 0 GGADLN COc1ccccc1N(C(C)=O)c1nc(C[N@@H+]2CCC[C@@H](C(=O)[O-])C2)cs1 ZINC000738129206 604606075 /nfs/dbraw/zinc/60/60/75/604606075.db2.gz LECHQDQCILCZBS-CQSZACIVSA-N 0 2 389.477 3.133 20 0 GGADLN COc1ccccc1N(C(C)=O)c1nc(C[N@H+]2CCC[C@@H](C(=O)[O-])C2)cs1 ZINC000738129206 604606076 /nfs/dbraw/zinc/60/60/76/604606076.db2.gz LECHQDQCILCZBS-CQSZACIVSA-N 0 2 389.477 3.133 20 0 GGADLN C[C@@H](Oc1ccc(C[N@@H+]2CCCC[C@H]2c2nnc3n2CCCC3)cc1)C(=O)[O-] ZINC000833544091 604622747 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HYZLUHNSKZEIRL-UHFFFAOYSA-N 0 2 377.268 3.377 20 0 GGADLN Cn1cc[nH+]c1C[C@H](NC(=O)CCc1ccccc1C(=O)[O-])c1ccccc1 ZINC000833759781 604766591 /nfs/dbraw/zinc/76/65/91/604766591.db2.gz HWZMNVZYGLPEOF-IBGZPJMESA-N 0 2 377.444 3.151 20 0 GGADLN Cc1cc2ccccc2[nH+]c1NCc1ccc(CS(=O)(=O)CC(=O)[O-])cc1 ZINC000832906359 604779191 /nfs/dbraw/zinc/77/91/91/604779191.db2.gz AULHZHMJMGQYOB-UHFFFAOYSA-N 0 2 384.457 3.155 20 0 GGADLN Cc1cccc(C)c1-n1nnnc1C[N@H+](CCCC(=O)[O-])Cc1ccccc1 ZINC000582851596 604782011 /nfs/dbraw/zinc/78/20/11/604782011.db2.gz PHUJKTULBKIBLA-UHFFFAOYSA-N 0 2 379.464 3.146 20 0 GGADLN Cc1cccc(C)c1-n1nnnc1C[N@@H+](CCCC(=O)[O-])Cc1ccccc1 ZINC000582851596 604782019 /nfs/dbraw/zinc/78/20/19/604782019.db2.gz PHUJKTULBKIBLA-UHFFFAOYSA-N 0 2 379.464 3.146 20 0 GGADLN Cc1cccc(C2=CC[N@@H+]([C@H]3CC(=O)N(c4ccsc4C(=O)[O-])C3=O)CC2)c1 ZINC000833752265 604793026 /nfs/dbraw/zinc/79/30/26/604793026.db2.gz FLPYWTFGCPGCGU-KRWDZBQOSA-N 0 2 396.468 3.176 20 0 GGADLN Cc1cccc(C2=CC[N@H+]([C@H]3CC(=O)N(c4ccsc4C(=O)[O-])C3=O)CC2)c1 ZINC000833752265 604793027 /nfs/dbraw/zinc/79/30/27/604793027.db2.gz FLPYWTFGCPGCGU-KRWDZBQOSA-N 0 2 396.468 3.176 20 0 GGADLN O=C([O-])c1ccc2c(c1)nc(C[N@@H+]1CCC[C@@H](Nc3ccccc3)C1)[nH]c2=O ZINC000833324548 604799897 /nfs/dbraw/zinc/79/98/97/604799897.db2.gz ATCOPKNIDGHMCJ-MRXNPFEDSA-N 0 2 378.432 3.110 20 0 GGADLN O=C([O-])c1ccc2c(c1)nc(C[N@H+]1CCC[C@@H](Nc3ccccc3)C1)[nH]c2=O ZINC000833324548 604799900 /nfs/dbraw/zinc/79/99/00/604799900.db2.gz ATCOPKNIDGHMCJ-MRXNPFEDSA-N 0 2 378.432 3.110 20 0 GGADLN O=C([O-])c1ccc2c(c1)nc(C[N@@H+]1CCC[C@H](Nc3ccccc3)C1)[nH]c2=O ZINC000833324543 604800538 /nfs/dbraw/zinc/80/05/38/604800538.db2.gz ATCOPKNIDGHMCJ-INIZCTEOSA-N 0 2 378.432 3.110 20 0 GGADLN O=C([O-])c1ccc2c(c1)nc(C[N@H+]1CCC[C@H](Nc3ccccc3)C1)[nH]c2=O ZINC000833324543 604800542 /nfs/dbraw/zinc/80/05/42/604800542.db2.gz ATCOPKNIDGHMCJ-INIZCTEOSA-N 0 2 378.432 3.110 20 0 GGADLN C[C@H](C(=O)Nc1ccc(OC(F)F)cc1)[N@@H+]1CCc2ccc(C(=O)[O-])cc2C1 ZINC000833408672 604849633 /nfs/dbraw/zinc/84/96/33/604849633.db2.gz HSZIUQCKLFNTDI-GFCCVEGCSA-N 0 2 390.386 3.372 20 0 GGADLN C[C@H](C(=O)Nc1ccc(OC(F)F)cc1)[N@H+]1CCc2ccc(C(=O)[O-])cc2C1 ZINC000833408672 604849635 /nfs/dbraw/zinc/84/96/35/604849635.db2.gz HSZIUQCKLFNTDI-GFCCVEGCSA-N 0 2 390.386 3.372 20 0 GGADLN CC(C)(C(=O)[O-])[C@H]1CCC[N@H+](Cn2ncn(-c3ccccc3F)c2=S)C1 ZINC000833419003 604866413 /nfs/dbraw/zinc/86/64/13/604866413.db2.gz CSXJZFIHYVXPHB-ZDUSSCGKSA-N 0 2 378.473 3.323 20 0 GGADLN CC(C)(C(=O)[O-])[C@H]1CCC[N@@H+](Cn2ncn(-c3ccccc3F)c2=S)C1 ZINC000833419003 604866414 /nfs/dbraw/zinc/86/64/14/604866414.db2.gz CSXJZFIHYVXPHB-ZDUSSCGKSA-N 0 2 378.473 3.323 20 0 GGADLN CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)C1 ZINC000833418596 604876996 /nfs/dbraw/zinc/87/69/96/604876996.db2.gz RXCKVBIGZLTHNG-CQSZACIVSA-N 0 2 394.541 3.484 20 0 GGADLN C[C@@H](c1cccc(F)c1)[NH+]1CCN(C(=O)CCc2ccccc2C(=O)[O-])CC1 ZINC000833547147 604882664 /nfs/dbraw/zinc/88/26/64/604882664.db2.gz AWLLEGHMCIQQON-INIZCTEOSA-N 0 2 384.451 3.362 20 0 GGADLN COc1ccccc1N(C(C)=O)c1nc(Cn2cc(C(=O)[O-])[nH+]c2C)cs1 ZINC000833736275 604885061 /nfs/dbraw/zinc/88/50/61/604885061.db2.gz CYVVYMFPWCJPGQ-UHFFFAOYSA-N 0 2 386.433 3.088 20 0 GGADLN CC(C)C[C@@H](NC(=O)C[NH2+][C@@H](c1cccc(Cl)c1)c1ccccn1)C(=O)[O-] ZINC000833480079 604962204 /nfs/dbraw/zinc/96/22/04/604962204.db2.gz GGALEXKRPZHBAW-MJGOQNOKSA-N 0 2 389.883 3.030 20 0 GGADLN COc1ccc(Cl)cc1-c1nc(=S)n(C[N@@H+]2CCC[C@@H]2CC(=O)[O-])[nH]1 ZINC000832362433 604975790 /nfs/dbraw/zinc/97/57/90/604975790.db2.gz HMTKAMCYNZNYNJ-LLVKDONJSA-N 0 2 382.873 3.166 20 0 GGADLN COc1ccc(Cl)cc1-c1nc(=S)n(C[N@H+]2CCC[C@@H]2CC(=O)[O-])[nH]1 ZINC000832362433 604975795 /nfs/dbraw/zinc/97/57/95/604975795.db2.gz HMTKAMCYNZNYNJ-LLVKDONJSA-N 0 2 382.873 3.166 20 0 GGADLN CCn1c(COc2ccc(C)cc2)nn(C[N@@H+]2CCC[C@H]2CC(=O)[O-])c1=S ZINC000830411722 604975828 /nfs/dbraw/zinc/97/58/28/604975828.db2.gz HMGLSCARVMVMFM-HNNXBMFYSA-N 0 2 390.509 3.218 20 0 GGADLN CCn1c(COc2ccc(C)cc2)nn(C[N@H+]2CCC[C@H]2CC(=O)[O-])c1=S ZINC000830411722 604975832 /nfs/dbraw/zinc/97/58/32/604975832.db2.gz HMGLSCARVMVMFM-HNNXBMFYSA-N 0 2 390.509 3.218 20 0 GGADLN O=C([O-])C[C@H]1CCC[N@@H+]1Cn1nc(-c2ccncc2)n(-c2ccccc2)c1=S ZINC000833212141 604977002 /nfs/dbraw/zinc/97/70/02/604977002.db2.gz UBWXSVNJARAQGM-QGZVFWFLSA-N 0 2 395.488 3.362 20 0 GGADLN O=C([O-])C[C@H]1CCC[N@H+]1Cn1nc(-c2ccncc2)n(-c2ccccc2)c1=S ZINC000833212141 604977003 /nfs/dbraw/zinc/97/70/03/604977003.db2.gz UBWXSVNJARAQGM-QGZVFWFLSA-N 0 2 395.488 3.362 20 0 GGADLN O=C([O-])C[C@@H]1CCC[N@@H+]1Cn1nc(-c2ccccc2F)n(C2CC2)c1=S ZINC000833211926 604977129 /nfs/dbraw/zinc/97/71/29/604977129.db2.gz RXVJJMVHQFQUBB-ZDUSSCGKSA-N 0 2 376.457 3.452 20 0 GGADLN O=C([O-])C[C@@H]1CCC[N@H+]1Cn1nc(-c2ccccc2F)n(C2CC2)c1=S ZINC000833211926 604977130 /nfs/dbraw/zinc/97/71/30/604977130.db2.gz RXVJJMVHQFQUBB-ZDUSSCGKSA-N 0 2 376.457 3.452 20 0 GGADLN CC(C)(C(=O)[O-])[C@H]1CCCN(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)C1 ZINC000833418175 604977236 /nfs/dbraw/zinc/97/72/36/604977236.db2.gz ZBXZNHXBSNKBMO-KRWDZBQOSA-N 0 2 388.512 3.104 20 0 GGADLN CC(C)(C(=O)[O-])[C@@H]1CCCN(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)C1 ZINC000833417446 604981550 /nfs/dbraw/zinc/98/15/50/604981550.db2.gz RMNFGLNQEHPQAW-OAHLLOKOSA-N 0 2 388.443 3.044 20 0 GGADLN Cn1cc[nH+]c1C[C@H](NC(=O)N1CCC[C@@H](C(C)(C)C(=O)[O-])C1)c1ccccc1 ZINC000833759842 604987252 /nfs/dbraw/zinc/98/72/52/604987252.db2.gz JOXZHBBTBZKHJW-MSOLQXFVSA-N 0 2 398.507 3.236 20 0 GGADLN Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)NCc2ccc(C(=O)[O-])cc2)c(C)c1 ZINC000833749062 604991476 /nfs/dbraw/zinc/99/14/76/604991476.db2.gz LKUOPTYNCBDPIJ-FQEVSTJZSA-N 0 2 392.459 3.439 20 0 GGADLN Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)Nc2cc(C(=O)[O-])n(C)c2)c(C)c1 ZINC000833749132 605007049 /nfs/dbraw/zinc/00/70/49/605007049.db2.gz NJJCDFQNJZMIAM-QGZVFWFLSA-N 0 2 381.436 3.100 20 0 GGADLN COCC1(C)CC[NH+](CC(=O)Nc2c(Cl)cc(Cl)cc2C(=O)[O-])CC1 ZINC000833722868 605021329 /nfs/dbraw/zinc/02/13/29/605021329.db2.gz OBHLKQGCYKPKHN-UHFFFAOYSA-N 0 2 389.279 3.379 20 0 GGADLN C[C@@H]1CCCC[N@@H+]1Cc1ccc(NS(=O)(=O)c2csnc2C(=O)[O-])cc1 ZINC000833616035 605051449 /nfs/dbraw/zinc/05/14/49/605051449.db2.gz VPLCPHLEQNXTGZ-GFCCVEGCSA-N 0 2 395.506 3.017 20 0 GGADLN C[C@@H]1CCCC[N@H+]1Cc1ccc(NS(=O)(=O)c2csnc2C(=O)[O-])cc1 ZINC000833616035 605051453 /nfs/dbraw/zinc/05/14/53/605051453.db2.gz VPLCPHLEQNXTGZ-GFCCVEGCSA-N 0 2 395.506 3.017 20 0 GGADLN CCc1[nH]c(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(F)c(F)c2)c(C)c1C(=O)[O-] ZINC000833668454 605086426 /nfs/dbraw/zinc/08/64/26/605086426.db2.gz QTJZQNYVJXIMGT-YJBOKZPZSA-N 0 2 391.418 3.037 20 0 GGADLN CCc1[nH]c(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(F)c(F)c2)c(C)c1C(=O)[O-] ZINC000833668454 605086431 /nfs/dbraw/zinc/08/64/31/605086431.db2.gz QTJZQNYVJXIMGT-YJBOKZPZSA-N 0 2 391.418 3.037 20 0 GGADLN 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CCOc1ccccc1[C@@H](CC)NC(=O)C[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000131379167 1416548169 /nfs/dbraw/zinc/54/81/69/1416548169.db2.gz FYAAKHJJBQCTQA-UYAOXDASSA-N 0 2 398.551 3.341 20 0 GGADLN Cc1cc(C(=O)N2CCCC2)ccc1NS(=O)(=O)c1cc(F)ccc1F ZINC000131517138 1416569971 /nfs/dbraw/zinc/56/99/71/1416569971.db2.gz DNTJVKYPIFQGMH-UHFFFAOYSA-N 0 2 380.416 3.310 20 0 GGADLN COc1ccc(-c2nc(CN(C)Cc3nc(=O)c4sccc4[nH]3)co2)cc1 ZINC000131768862 1416616319 /nfs/dbraw/zinc/61/63/19/1416616319.db2.gz VWLQPEONAQAQRU-UHFFFAOYSA-N 0 2 382.445 3.280 20 0 GGADLN CC(C)n1cc(S(=O)(=O)[N-]c2ccc3c(c2)[nH+]c(C(C)(C)C)n3C)cn1 ZINC000131875161 1416639214 /nfs/dbraw/zinc/63/92/14/1416639214.db2.gz MDGFRPZOTGPYKH-UHFFFAOYSA-N 0 2 375.498 3.449 20 0 GGADLN CC(C)n1cc(S(=O)(=O)Nc2ccc3c(c2)nc(C(C)(C)C)n3C)cn1 ZINC000131875161 1416639222 /nfs/dbraw/zinc/63/92/22/1416639222.db2.gz MDGFRPZOTGPYKH-UHFFFAOYSA-N 0 2 375.498 3.449 20 0 GGADLN CC(C)(C)c1nc2cc(NS(=O)(=O)c3cnn([C@H]4CCOC4)c3)ccc2o1 ZINC000131909112 1416648650 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CC(C)c1cccc(N2CC(=O)C(C(=O)N3CCN(c4nccs4)CC3)=N2)c1 ZINC000155143059 1423193535 /nfs/dbraw/zinc/19/35/35/1423193535.db2.gz ANPOSHWXINTLBB-UHFFFAOYSA-N 0 2 397.504 3.120 20 0 GGADLN O=C(CCCn1cc[nH+]c1)Nc1ccc(Oc2cccc(-c3nnn[n-]3)c2)cc1 ZINC000737837452 1423299350 /nfs/dbraw/zinc/29/93/50/1423299350.db2.gz HDORBTYFCVROLH-UHFFFAOYSA-N 0 2 389.419 3.274 20 0 GGADLN CCn1c(=O)c2ccc(C(=O)N3CCC[C@H]3[C@@H]3CCCCC3=O)cc2[nH]c1=S ZINC000155486341 1423383001 /nfs/dbraw/zinc/38/30/01/1423383001.db2.gz QYBAPJSXEKYCRQ-RDJZCZTQSA-N 0 2 399.516 3.069 20 0 GGADLN CCn1c(=O)c2ccc(C(=O)N3CCC[C@@H]3[C@H]3CCCCC3=O)cc2[nH]c1=S ZINC000155486440 1423383066 /nfs/dbraw/zinc/38/30/66/1423383066.db2.gz QYBAPJSXEKYCRQ-NVXWUHKLSA-N 0 2 399.516 3.069 20 0 GGADLN Cc1ccc(C)c(C(=O)Nc2nnc(NS(=O)(=O)c3ccccc3)s2)c1 ZINC000155818361 1423546853 /nfs/dbraw/zinc/54/68/53/1423546853.db2.gz GGIGNUUIWCXGIG-UHFFFAOYSA-N 0 2 388.474 3.208 20 0 GGADLN Cc1ccc(C(=O)Nc2nnc(NS(=O)(=O)c3ccccc3)s2)c(C)c1 ZINC000155818608 1423546924 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CC(C)(C)c1ccc(C=CC(=O)OCCNc2[nH+]cccc2-c2nnn[n-]2)cc1 ZINC000735651961 1423607150 /nfs/dbraw/zinc/60/71/50/1423607150.db2.gz ZBNFWPREXQCXSX-FLIBITNWSA-N 0 2 392.463 3.228 20 0 GGADLN C[C@H]1CCN(c2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)C[C@H]1n1cc[nH+]c1 ZINC000820727775 1423619713 /nfs/dbraw/zinc/61/97/13/1423619713.db2.gz ORFQUJZCMCZIQA-XHDPSFHLSA-N 0 2 377.374 3.170 20 0 GGADLN O=C(N[C@@H](C[C@H]1CCOC1)c1ccccc1)C1=NN(c2ccccc2)CC1=O ZINC000155991018 1423624005 /nfs/dbraw/zinc/62/40/05/1423624005.db2.gz VZISQLBPGNSTCM-APWZRJJASA-N 0 2 377.444 3.476 20 0 GGADLN CC(C)(C)ONC(=O)c1ccc2c(c1)[nH]c(=S)n(CCc1ccccc1)c2=O ZINC000156033174 1423642785 /nfs/dbraw/zinc/64/27/85/1423642785.db2.gz UYQPXFAPAXSHKC-UHFFFAOYSA-N 0 2 397.500 3.388 20 0 GGADLN CCOC(=O)[C@@H](C(=O)COc1cccc(C(F)(F)F)n1)c1nc(C)cs1 ZINC000179952188 1429659794 /nfs/dbraw/zinc/65/97/94/1429659794.db2.gz YOVALMCVIZWLGT-ZDUSSCGKSA-N 0 2 388.367 3.160 20 0 GGADLN CCC[N@@H+](Cc1ccc(-c2nnn[n-]2)cc1)Cn1c(=O)sc2c1CC[C@H](C)C2 ZINC000736480895 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1427608003 /nfs/dbraw/zinc/60/80/03/1427608003.db2.gz IMYMAMSFWCUSIU-UHFFFAOYSA-N 0 2 375.436 3.111 20 0 GGADLN O=C(c1cc(Cl)c2ccccc2c1[O-])N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000175230940 1427614890 /nfs/dbraw/zinc/61/48/90/1427614890.db2.gz OZQUTEYAVYVUCZ-HNNXBMFYSA-N 0 2 388.895 3.383 20 0 GGADLN CCS[C@H]1CCCC[C@H]1NC(=O)c1ccc2c(c1)[nH]c(=S)n(CC)c2=O ZINC000175255269 1427628247 /nfs/dbraw/zinc/62/82/47/1427628247.db2.gz YZAWBBDKXMKCHB-ZBFHGGJFSA-N 0 2 391.562 3.499 20 0 GGADLN C[C@H](NC(=O)C1=NN(c2ccccc2)CC1=O)c1noc(Cc2ccccc2)n1 ZINC000175281243 1427644810 /nfs/dbraw/zinc/64/48/10/1427644810.db2.gz BHZILPWIBXOGAB-AWEZNQCLSA-N 0 2 389.415 3.043 20 0 GGADLN c1cn(-c2ccccc2)nc1C[N@H+]1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000823868338 1427652732 /nfs/dbraw/zinc/65/27/32/1427652732.db2.gz WTVZVOAMEMDRSH-UHFFFAOYSA-N 0 2 383.459 3.342 20 0 GGADLN c1cn(-c2ccccc2)nc1C[N@@H+]1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000823868338 1427652735 /nfs/dbraw/zinc/65/27/35/1427652735.db2.gz 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COC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2nnc(CC3CCCC3)o2)c1 ZINC000278131108 1435362603 /nfs/dbraw/zinc/36/26/03/1435362603.db2.gz CFKBTVKTMGLIHN-UHFFFAOYSA-N 0 2 399.856 3.043 20 0 GGADLN CCC(CC)n1ccc(CS(=O)(=O)c2n[nH]c(-c3ccccc3F)n2)n1 ZINC000278279788 1435376077 /nfs/dbraw/zinc/37/60/77/1435376077.db2.gz YVKRVSDSKLJJHD-UHFFFAOYSA-N 0 2 377.445 3.142 20 0 GGADLN Cc1nn(C)c(C)c1S(=O)(=O)Nc1cccc(-c2ncc3n2CCCC3)c1 ZINC000278299977 1435377569 /nfs/dbraw/zinc/37/75/69/1435377569.db2.gz DIPFQNBBEIRZLV-UHFFFAOYSA-N 0 2 385.493 3.038 20 0 GGADLN COCCc1ccc(S(=O)(=O)Nc2nnc(-c3ccc(C)cc3C)o2)cc1 ZINC000278357144 1435383207 /nfs/dbraw/zinc/38/32/07/1435383207.db2.gz JFHKQSUIFRMQQN-UHFFFAOYSA-N 0 2 387.461 3.343 20 0 GGADLN CCn1nc(C)c(S(=O)(=O)Nc2nnc(C[C@H](C)CC(C)(C)C)o2)c1C ZINC000278372397 1435384679 /nfs/dbraw/zinc/38/46/79/1435384679.db2.gz KVFCYFYOIHCMPC-NSHDSACASA-N 0 2 383.518 3.318 20 0 GGADLN COc1cc(C)cc(C)c1S(=O)(=O)Nc1nnc(CCc2ccccc2)o1 ZINC000278400720 1435387501 /nfs/dbraw/zinc/38/75/01/1435387501.db2.gz OEGDDKYVUISIMU-UHFFFAOYSA-N 0 2 387.461 3.281 20 0 GGADLN COC(=O)c1ccc(Cl)cc1S(=O)(=O)Nc1nnc(CC2CCCC2)o1 ZINC000278403582 1435388072 /nfs/dbraw/zinc/38/80/72/1435388072.db2.gz ORJPIFNAWQDLSY-UHFFFAOYSA-N 0 2 399.856 3.043 20 0 GGADLN Cn1nc([C@H]2CCCO2)cc1NS(=O)(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000278555189 1435399772 /nfs/dbraw/zinc/39/97/72/1435399772.db2.gz ALARKDJSLVYAMB-CYBMUJFWSA-N 0 2 393.362 3.230 20 0 GGADLN Cc1ccc(S(=O)(=O)Nc2cc([C@H]3CCCO3)nn2C)cc1C(F)(F)F ZINC000278581412 1435402173 /nfs/dbraw/zinc/40/21/73/1435402173.db2.gz CSWXJJCAMTXWOU-CQSZACIVSA-N 0 2 389.399 3.400 20 0 GGADLN C[C@@H](C(=O)Nc1ccc2c(c1)OCO2)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278945826 1435443485 /nfs/dbraw/zinc/44/34/85/1435443485.db2.gz UZEPVJHEGPDQJQ-HNNXBMFYSA-N 0 2 396.491 3.155 20 0 GGADLN CCn1nccc1C1CCN(C(=O)C2=NN(c3ccc(Cl)cc3)CC2=O)CC1 ZINC000279607044 1435518350 /nfs/dbraw/zinc/51/83/50/1435518350.db2.gz WKLQJAGRKDNPJJ-UHFFFAOYSA-N 0 2 399.882 3.468 20 0 GGADLN Cn1nc([C@H]2CCCOC2)cc1NS(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000279832905 1435548518 /nfs/dbraw/zinc/54/85/18/1435548518.db2.gz CHKCPRKVWDUJFB-NSHDSACASA-N 0 2 389.399 3.134 20 0 GGADLN Cc1cc2sc(NS(=O)(=O)c3cnn(C4CCOCC4)c3)nc2cc1F ZINC000280234753 1435614869 /nfs/dbraw/zinc/61/48/69/1435614869.db2.gz HPXRZXQWUFDNII-UHFFFAOYSA-N 0 2 396.469 3.093 20 0 GGADLN COC(=O)Nc1cccc(NS(=O)(=O)c2c(C)csc2C(=O)OC)c1C ZINC000280606172 1435688108 /nfs/dbraw/zinc/68/81/08/1435688108.db2.gz PXBNCQJJNJKLAS-UHFFFAOYSA-N 0 2 398.462 3.131 20 0 GGADLN Cc1cc(S(=O)(=O)Nc2ccc(O[C@@H]3CCN(C)C3=O)cc2C)sc1C ZINC000281140473 1435783241 /nfs/dbraw/zinc/78/32/41/1435783241.db2.gz APFGQKQLUWVRDA-MRXNPFEDSA-N 0 2 394.518 3.084 20 0 GGADLN CCc1c(NS(=O)(=O)c2cc(Cl)cc(C(N)=O)c2)cnn1CCC(C)C ZINC000282145815 1435836277 /nfs/dbraw/zinc/83/62/77/1435836277.db2.gz ZYBCVXGGBATXGP-UHFFFAOYSA-N 0 2 398.916 3.045 20 0 GGADLN CC[C@](O)(C(=O)N(C)Cc1nc(=O)c2sccc2[nH]1)c1cccc(Cl)c1 ZINC000282207416 1435838466 /nfs/dbraw/zinc/83/84/66/1435838466.db2.gz XTCUBPQMLKKSDZ-GOSISDBHSA-N 0 2 391.880 3.307 20 0 GGADLN C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCN2C(=O)C2=NN(c3ccc(F)cc3)CC2=O)C1 ZINC000282289549 1435841867 /nfs/dbraw/zinc/84/18/67/1435841867.db2.gz XEFDIFUOWUNKSD-RNJTYBCJSA-N 0 2 387.455 3.119 20 0 GGADLN Cc1cccc(OCc2nnc(N(C)Cc3nc(=O)c4sccc4[nH]3)n2C)c1 ZINC000283662717 1435899979 /nfs/dbraw/zinc/89/99/79/1435899979.db2.gz YYDAIDSZLBODGT-UHFFFAOYSA-N 0 2 396.476 3.049 20 0 GGADLN CC(C)c1c(NS(=O)(=O)c2cnn(CC(F)F)c2)cnn1-c1ccccc1 ZINC000284028857 1435975931 /nfs/dbraw/zinc/97/59/31/1435975931.db2.gz WHSVHHBATMABOT-UHFFFAOYSA-N 0 2 395.435 3.258 20 0 GGADLN COc1cc(Br)ccc1CCCNc1ccc(-c2nnn[n-]2)c[nH+]1 ZINC000826177203 1441429105 /nfs/dbraw/zinc/42/91/05/1441429105.db2.gz WSRCUKDIZLNDJH-UHFFFAOYSA-N 0 2 389.257 3.078 20 0 GGADLN CC[NH+](CC)[C@H](C(=O)OCc1cc(-c2nnn[n-]2)ccc1OC)c1ccccc1 ZINC000821175651 1441456327 /nfs/dbraw/zinc/45/63/27/1441456327.db2.gz RKFUKCCDAGVNRS-IBGZPJMESA-N 0 2 395.463 3.002 20 0 GGADLN Clc1ccc(O[C@H]2CCN(c3[nH+]cccc3-c3nnn[n-]3)C2)cc1Cl ZINC000822579223 1441485855 /nfs/dbraw/zinc/48/58/55/1441485855.db2.gz YFPPFFGMYCCUBX-NSHDSACASA-N 0 2 377.235 3.226 20 0 GGADLN CC(C)[C@@H](Sc1ccccc1)C(=O)OCCNc1[nH+]cccc1-c1nnn[n-]1 ZINC000735734585 1441528565 /nfs/dbraw/zinc/52/85/65/1441528565.db2.gz HBOVPEUITJPZLI-MRXNPFEDSA-N 0 2 398.492 3.034 20 0 GGADLN c1ccc(N2CCC(Nc3[nH+]c4c(cc3-c3nnn[n-]3)CCCC4)CC2)cc1 ZINC000826522015 1441542173 /nfs/dbraw/zinc/54/21/73/1441542173.db2.gz HZSUUMDDHHATNL-UHFFFAOYSA-N 0 2 375.480 3.221 20 0 GGADLN COc1ccc(Oc2cc(CNc3[nH+]ccc(C)c3-c3nnn[n-]3)ccn2)cc1 ZINC000826211484 1441582985 /nfs/dbraw/zinc/58/29/85/1441582985.db2.gz GUKKHRQRABPTLV-UHFFFAOYSA-N 0 2 389.419 3.378 20 0 GGADLN CC(C)C[C@H](C(=O)OCCNc1[nH+]cccc1-c1nnn[n-]1)c1ccccc1 ZINC000735755842 1441659629 /nfs/dbraw/zinc/65/96/29/1441659629.db2.gz HYMUTVDOVCTXLB-KRWDZBQOSA-N 0 2 380.452 3.047 20 0 GGADLN CC(C)(C)OC(=O)N1CC[N@H+](Cc2cccc(-c3nnn[n-]3)c2)[C@@H]2CCCC=C21 ZINC001139857475 1441744319 /nfs/dbraw/zinc/74/43/19/1441744319.db2.gz LKBISUIPPKCTMW-QGZVFWFLSA-N 0 2 396.495 3.356 20 0 GGADLN CC(C)(C)OC(=O)N1CC[N@@H+](Cc2cccc(-c3nnn[n-]3)c2)[C@@H]2CCCC=C21 ZINC001139857475 1441744323 /nfs/dbraw/zinc/74/43/23/1441744323.db2.gz LKBISUIPPKCTMW-QGZVFWFLSA-N 0 2 396.495 3.356 20 0 GGADLN Fc1cc(-c2nnn[n-]2)ccc1C[NH2+][C@H]1CCCc2cn(C3CCCC3)nc21 ZINC000826371289 1441747227 /nfs/dbraw/zinc/74/72/27/1441747227.db2.gz AEFVGSIMUHVUHV-SFHVURJKSA-N 0 2 381.459 3.485 20 0 GGADLN FC(F)(F)c1ccccc1C[N@@H+]1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826368772 1442099638 /nfs/dbraw/zinc/09/96/38/1442099638.db2.gz AQVXDROAZGAROV-QGZVFWFLSA-N 0 2 389.381 3.459 20 0 GGADLN FC(F)(F)c1ccccc1C[N@H+]1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826368772 1442099642 /nfs/dbraw/zinc/09/96/42/1442099642.db2.gz AQVXDROAZGAROV-QGZVFWFLSA-N 0 2 389.381 3.459 20 0 GGADLN CCOc1ccc([C@@H](C)[NH2+]Cc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)cc1 ZINC000825632492 1442202683 /nfs/dbraw/zinc/20/26/83/1442202683.db2.gz UZGMXUNDHYTTIM-CYBMUJFWSA-N 0 2 391.435 3.166 20 0 GGADLN FC(F)(F)c1csc([C@@H]2CCCN(c3[nH+]cccc3-c3nnn[n-]3)C2)n1 ZINC000822728717 1442243672 /nfs/dbraw/zinc/24/36/72/1442243672.db2.gz KRTREKGYBQHVMG-SECBINFHSA-N 0 2 381.387 3.121 20 0 GGADLN Cc1c(C(=O)OCCNc2[nH+]cccc2-c2nnn[n-]2)oc2c1c(C)ccc2C ZINC000737328868 1442266993 /nfs/dbraw/zinc/26/69/93/1442266993.db2.gz IDEVQCUYFHNENK-UHFFFAOYSA-N 0 2 392.419 3.202 20 0 GGADLN Clc1ccc([C@@H]2C[N@H+](CCCOc3cccc(-c4nnn[n-]4)c3)CCO2)cc1 ZINC000822574199 1442311234 /nfs/dbraw/zinc/31/12/34/1442311234.db2.gz PYMCPYCBJBEVHU-IBGZPJMESA-N 0 2 399.882 3.363 20 0 GGADLN Clc1ccc([C@@H]2C[N@@H+](CCCOc3cccc(-c4nnn[n-]4)c3)CCO2)cc1 ZINC000822574199 1442311239 /nfs/dbraw/zinc/31/12/39/1442311239.db2.gz PYMCPYCBJBEVHU-IBGZPJMESA-N 0 2 399.882 3.363 20 0 GGADLN CC[C@@H](CC(=O)OCCNc1[nH+]cccc1-c1nnn[n-]1)c1ccc(C)cc1 ZINC000736333447 1443392660 /nfs/dbraw/zinc/39/26/60/1443392660.db2.gz QIIZTHHCRNJYSK-HNNXBMFYSA-N 0 2 380.452 3.109 20 0 GGADLN Brc1cc(CN(c2[nH+]cccc2-c2nnn[n-]2)C2CC2)cs1 ZINC000823826291 1443400441 /nfs/dbraw/zinc/40/04/41/1443400441.db2.gz GNHWSDGXICXMST-UHFFFAOYSA-N 0 2 377.271 3.255 20 0 GGADLN Cc1ccc(N2CCC(C(=O)O[C@H](C)c3ccc(-c4nnn[n-]4)cc3)CC2)[nH+]c1 ZINC000822240935 1443442348 /nfs/dbraw/zinc/44/23/48/1443442348.db2.gz FSBGCKHIELWXOX-OAHLLOKOSA-N 0 2 392.463 3.091 20 0 GGADLN Cc1sc2nc([C@H](C)[NH2+][C@H](C)c3ccc(-c4nnn[n-]4)cc3)nc(N)c2c1C ZINC000826350489 1443481058 /nfs/dbraw/zinc/48/10/58/1443481058.db2.gz YPIHONDDFFASBR-MNOVXSKESA-N 0 2 394.508 3.482 20 0 GGADLN C[C@@H](c1ccc(F)cc1)[N@H+](C)Cc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000820562817 1443672522 /nfs/dbraw/zinc/67/25/22/1443672522.db2.gz JBNSEFZOTYOGNM-LBPRGKRZSA-N 0 2 379.399 3.249 20 0 GGADLN C[C@@H](c1ccc(F)cc1)[N@@H+](C)Cc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000820562817 1443672525 /nfs/dbraw/zinc/67/25/25/1443672525.db2.gz JBNSEFZOTYOGNM-LBPRGKRZSA-N 0 2 379.399 3.249 20 0 GGADLN CCOC(=O)[C@@H](Cc1ccccc1)[N@H+](Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000736590928 1443709239 /nfs/dbraw/zinc/70/92/39/1443709239.db2.gz LYYBUVDQSVVKLL-HXUWFJFHSA-N 0 2 391.475 3.006 20 0 GGADLN CCOC(=O)[C@@H](Cc1ccccc1)[N@@H+](Cc1ccc(-c2nnn[n-]2)cc1)C1CC1 ZINC000736590928 1443709242 /nfs/dbraw/zinc/70/92/42/1443709242.db2.gz LYYBUVDQSVVKLL-HXUWFJFHSA-N 0 2 391.475 3.006 20 0 GGADLN Cc1ccc(-c2nnn[n-]2)c(NCc2cccc(COCc3ccco3)c2)[nH+]1 ZINC000826276972 1443726813 /nfs/dbraw/zinc/72/68/13/1443726813.db2.gz FAOPPRNRKUTGMF-UHFFFAOYSA-N 0 2 376.420 3.492 20 0 GGADLN Cc1cc[nH+]c(N[C@H]2CCOc3ccc(Br)cc32)c1-c1nnn[n-]1 ZINC000826313026 1443782881 /nfs/dbraw/zinc/78/28/81/1443782881.db2.gz UXPPWGFTLHCDQL-LBPRGKRZSA-N 0 2 387.241 3.268 20 0 GGADLN FC(F)(F)CC[N@@H+](Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1)CC1CC1 ZINC000822714330 1443943273 /nfs/dbraw/zinc/94/32/73/1443943273.db2.gz LHLJIHLWQHJQGK-UHFFFAOYSA-N 0 2 393.373 3.081 20 0 GGADLN FC(F)(F)CC[N@H+](Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1)CC1CC1 ZINC000822714330 1443943274 /nfs/dbraw/zinc/94/32/74/1443943274.db2.gz LHLJIHLWQHJQGK-UHFFFAOYSA-N 0 2 393.373 3.081 20 0 GGADLN C[C@H](C(=O)Nc1ccccc1-c1nnn[n-]1)[N@H+](C)Cc1ccc(Cl)c(F)c1 ZINC000824047075 1444033833 /nfs/dbraw/zinc/03/38/33/1444033833.db2.gz WQPZIFGYSKTRPL-LLVKDONJSA-N 0 2 388.834 3.118 20 0 GGADLN C[C@H](C(=O)Nc1ccccc1-c1nnn[n-]1)[N@@H+](C)Cc1ccc(Cl)c(F)c1 ZINC000824047075 1444033836 /nfs/dbraw/zinc/03/38/36/1444033836.db2.gz WQPZIFGYSKTRPL-LLVKDONJSA-N 0 2 388.834 3.118 20 0 GGADLN CC[N@H+](C)[C@@H](C(=O)OCc1ccc(Cl)cc1-c1nnn[n-]1)c1ccccc1 ZINC000825390260 1446261997 /nfs/dbraw/zinc/26/19/97/1446261997.db2.gz BOCUUTSVIKSWAF-QGZVFWFLSA-N 0 2 385.855 3.256 20 0 GGADLN CC[N@@H+](C)[C@@H](C(=O)OCc1ccc(Cl)cc1-c1nnn[n-]1)c1ccccc1 ZINC000825390260 1446261999 /nfs/dbraw/zinc/26/19/99/1446261999.db2.gz BOCUUTSVIKSWAF-QGZVFWFLSA-N 0 2 385.855 3.256 20 0 GGADLN Cc1cc(NCc2cccc(N(C)C)[nH+]2)n2c3ccccc3nc2c1-c1nnn[n-]1 ZINC000826271291 1446267912 /nfs/dbraw/zinc/26/79/12/1446267912.db2.gz LQAOHLSXXAHFCM-UHFFFAOYSA-N 0 2 399.462 3.049 20 0 GGADLN Clc1cccc(N2CC[C@H](Nc3[nH+]c4c(cc3-c3nnn[n-]3)CCC4)C2)c1 ZINC000822586004 1446280649 /nfs/dbraw/zinc/28/06/49/1446280649.db2.gz QILDGTNRDOHUPW-AWEZNQCLSA-N 0 2 381.871 3.095 20 0 GGADLN C[NH+](C)[C@@H](CNc1c(F)cc(-c2nnn[n-]2)cc1F)c1c(F)cccc1F ZINC000736758828 1446328375 /nfs/dbraw/zinc/32/83/75/1446328375.db2.gz IVMBWMATXKMOPQ-AWEZNQCLSA-N 0 2 380.349 3.138 20 0 GGADLN c1ccc(-c2nc(N3CCC(Oc4ccc(-c5nnn[n-]5)cc4)CC3)cc[nH+]2)cc1 ZINC000738424137 1446354327 /nfs/dbraw/zinc/35/43/27/1446354327.db2.gz WNCPCKXRUUJVMH-UHFFFAOYSA-N 0 2 399.458 3.372 20 0 GGADLN Clc1ccccc1[C@@H]1C[N@H+](Cc2cn3ccccc3c2-c2nnn[n-]2)CCO1 ZINC000737585068 1446451970 /nfs/dbraw/zinc/45/19/70/1446451970.db2.gz XWRNYGJVNNZNIC-SFHVURJKSA-N 0 2 394.866 3.346 20 0 GGADLN Clc1ccccc1[C@@H]1C[N@@H+](Cc2cn3ccccc3c2-c2nnn[n-]2)CCO1 ZINC000737585068 1446451972 /nfs/dbraw/zinc/45/19/72/1446451972.db2.gz XWRNYGJVNNZNIC-SFHVURJKSA-N 0 2 394.866 3.346 20 0 GGADLN C[C@@H](c1cccc(F)c1)[NH+]1CCN(Cc2ccc(-c3nnn[n-]3)cc2F)CC1 ZINC000824770036 1446496478 /nfs/dbraw/zinc/49/64/78/1446496478.db2.gz CUBXHSUNYTWWSC-AWEZNQCLSA-N 0 2 384.434 3.024 20 0 GGADLN c1sc(C2CC2)nc1C[NH+]1CCC(Oc2cccc(-c3nnn[n-]3)c2)CC1 ZINC000826517495 1446558764 /nfs/dbraw/zinc/55/87/64/1446558764.db2.gz FIZMKSSGYBRBQB-UHFFFAOYSA-N 0 2 382.493 3.244 20 0 GGADLN CC[C@@H]1c2ccsc2CC[N@H+]1Cc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000821000474 1446619284 /nfs/dbraw/zinc/61/92/84/1446619284.db2.gz FLDLTJKNFZVBFQ-OAHLLOKOSA-N 0 2 393.476 3.488 20 0 GGADLN CC[C@@H]1c2ccsc2CC[N@@H+]1Cc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000821000474 1446619288 /nfs/dbraw/zinc/61/92/88/1446619288.db2.gz FLDLTJKNFZVBFQ-OAHLLOKOSA-N 0 2 393.476 3.488 20 0 GGADLN CCC(CC)(CNc1[nH+]c(C)ccc1-c1nnn[n-]1)NC(=O)OC(C)(C)C ZINC000825089446 1446640210 /nfs/dbraw/zinc/64/02/10/1446640210.db2.gz GAHWLTLJRDTIOG-UHFFFAOYSA-N 0 2 375.477 3.066 20 0 GGADLN Cc1cccc(C2(C(=O)OCCNc3[nH+]cccc3-c3nnn[n-]3)CCCC2)c1 ZINC000737389092 1446737607 /nfs/dbraw/zinc/73/76/07/1446737607.db2.gz ILIYMWRWLUZCTD-UHFFFAOYSA-N 0 2 392.463 3.037 20 0 GGADLN Cc1cc([C@@H](C)[NH2+]Cc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)ccc1F ZINC000826262586 1446771468 /nfs/dbraw/zinc/77/14/68/1446771468.db2.gz SMNSCLZZRRBMAL-GFCCVEGCSA-N 0 2 379.399 3.215 20 0 GGADLN C[C@@H](c1ccc(-c2nn[n-]n2)cc1)[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000820556085 1446777972 /nfs/dbraw/zinc/77/79/72/1446777972.db2.gz RIGQQVWPPZKCIE-PKOBYXMFSA-N 0 2 376.508 3.382 20 0 GGADLN C[C@@H](c1ccc(-c2nn[n-]n2)cc1)[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000820556085 1446777980 /nfs/dbraw/zinc/77/79/80/1446777980.db2.gz RIGQQVWPPZKCIE-PKOBYXMFSA-N 0 2 376.508 3.382 20 0 GGADLN c1coc(-c2cc(C[NH+]3CCC(Oc4cccc(-c5nnn[n-]5)c4)CC3)no2)c1 ZINC000738418479 1446905981 /nfs/dbraw/zinc/90/59/81/1446905981.db2.gz JJKUDFCXCBYZAP-UHFFFAOYSA-N 0 2 392.419 3.158 20 0 GGADLN CCc1ccc(-c2noc(C[NH2+][C@H](C)c3ccc(-c4nnn[n-]4)cc3)n2)cc1 ZINC000825700904 1446907914 /nfs/dbraw/zinc/90/79/14/1446907914.db2.gz YNNAOVNEZUYZCD-CYBMUJFWSA-N 0 2 375.436 3.330 20 0 GGADLN CCN(CC1CCN(c2cccc[nH+]2)CC1)c1cccc(F)c1-c1nnn[n-]1 ZINC000821207346 1446940613 /nfs/dbraw/zinc/94/06/13/1446940613.db2.gz LTQKIQFVNUWMSV-UHFFFAOYSA-N 0 2 381.459 3.144 20 0 GGADLN C[N@@H+]1CCCC[C@@H]1C(=O)OCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000736860545 1446964007 /nfs/dbraw/zinc/96/40/07/1446964007.db2.gz SELPNDHBCSKEDZ-LJQANCHMSA-N 0 2 377.448 3.061 20 0 GGADLN C[N@H+]1CCCC[C@@H]1C(=O)OCc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000736860545 1446964011 /nfs/dbraw/zinc/96/40/11/1446964011.db2.gz SELPNDHBCSKEDZ-LJQANCHMSA-N 0 2 377.448 3.061 20 0 GGADLN COc1ccccc1[C@H](Nc1[nH+]c2c(cc1-c1nnn[n-]1)CCC2)c1ccccn1 ZINC000826218800 1447006465 /nfs/dbraw/zinc/00/64/65/1447006465.db2.gz LERHTCKQUQUFIN-FQEVSTJZSA-N 0 2 399.458 3.356 20 0 GGADLN Cc1cc[nH+]c(NC[C@]2(C)CCCN(C(=O)OC(C)(C)C)C2)c1-c1nnn[n-]1 ZINC000826313866 1447145978 /nfs/dbraw/zinc/14/59/78/1447145978.db2.gz WENHDUSYAIQOKY-IBGZPJMESA-N 0 2 387.488 3.019 20 0 GGADLN COc1ccc(-c2nnn[n-]2)cc1C[N@@H+]1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000826182509 1447179328 /nfs/dbraw/zinc/17/93/28/1447179328.db2.gz MBRDMPLGOUGPIT-UHFFFAOYSA-N 0 2 387.447 3.041 20 0 GGADLN Fc1ccc(-c2c[nH]c([C@@H]3CCC[N@@H+]3Cc3ccc(-c4nnn[n-]4)o3)n2)cc1 ZINC000826372648 1447310454 /nfs/dbraw/zinc/31/04/54/1447310454.db2.gz GPWBZMGWYNHPEM-INIZCTEOSA-N 0 2 379.399 3.326 20 0 GGADLN Fc1ccc(-c2c[nH]c([C@@H]3CCC[N@H+]3Cc3ccc(-c4nnn[n-]4)o3)n2)cc1 ZINC000826372648 1447310456 /nfs/dbraw/zinc/31/04/56/1447310456.db2.gz GPWBZMGWYNHPEM-INIZCTEOSA-N 0 2 379.399 3.326 20 0 GGADLN COc1ccccc1[C@@H]1CCCC[N@@H+]1CC(=O)Nc1sccc1-c1nnn[n-]1 ZINC000821891046 1449072449 /nfs/dbraw/zinc/07/24/49/1449072449.db2.gz UEZVFZUFJUHZSB-HNNXBMFYSA-N 0 2 398.492 3.103 20 0 GGADLN COc1ccccc1[C@@H]1CCCC[N@H+]1CC(=O)Nc1sccc1-c1nnn[n-]1 ZINC000821891046 1449072455 /nfs/dbraw/zinc/07/24/55/1449072455.db2.gz UEZVFZUFJUHZSB-HNNXBMFYSA-N 0 2 398.492 3.103 20 0 GGADLN Cc1cc[nH+]c(NCc2ccc(COCC(F)(F)F)cc2)c1-c1nnn[n-]1 ZINC000826314416 1449203660 /nfs/dbraw/zinc/20/36/60/1449203660.db2.gz VWMOEESVMCCQOF-UHFFFAOYSA-N 0 2 378.358 3.261 20 0 GGADLN CN(C(=O)c1cccc(Cn2cc[nH+]c2)c1)c1cc(Cl)ccc1-c1nnn[n-]1 ZINC000821574529 1449256836 /nfs/dbraw/zinc/25/68/36/1449256836.db2.gz KJSQEAPUZYKJNT-UHFFFAOYSA-N 0 2 393.838 3.042 20 0 GGADLN Cc1ccc([C@@H]2CCCCC[N@@H+]2CC(=O)NCc2cccc(-c3nnn[n-]3)c2)o1 ZINC000737329868 1449417288 /nfs/dbraw/zinc/41/72/88/1449417288.db2.gz LGLGAYWQOLGWTI-SFHVURJKSA-N 0 2 394.479 3.002 20 0 GGADLN Cc1ccc([C@@H]2CCCCC[N@H+]2CC(=O)NCc2cccc(-c3nnn[n-]3)c2)o1 ZINC000737329868 1449417291 /nfs/dbraw/zinc/41/72/91/1449417291.db2.gz LGLGAYWQOLGWTI-SFHVURJKSA-N 0 2 394.479 3.002 20 0 GGADLN Clc1cc(NC[C@@H](c2cccs2)[NH+]2CCOCC2)ccc1-c1nnn[n-]1 ZINC000737565039 1449423863 /nfs/dbraw/zinc/42/38/63/1449423863.db2.gz MXTIZOJLJWJOQL-HNNXBMFYSA-N 0 2 390.900 3.067 20 0 GGADLN c1[nH]c(CNc2cc[nH+]c(-c3ccccc3)n2)nc1-c1cccc(-c2nnn[n-]2)c1 ZINC000826519283 1449451636 /nfs/dbraw/zinc/45/16/36/1449451636.db2.gz RUOPJQMQANPJDG-UHFFFAOYSA-N 0 2 395.430 3.326 20 0 GGADLN FC(F)(F)c1ccc(NCCNc2ccc(-c3nnn[n-]3)c(Cl)c2)[nH+]c1 ZINC000737636424 1449510513 /nfs/dbraw/zinc/51/05/13/1449510513.db2.gz RMSFNJRNSQHWKR-UHFFFAOYSA-N 0 2 383.765 3.458 20 0 GGADLN Fc1ccccc1SCC[N@@H+]1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826378631 1449602653 /nfs/dbraw/zinc/60/26/53/1449602653.db2.gz SWZRYPZKPBPLKR-QGZVFWFLSA-N 0 2 385.468 3.171 20 0 GGADLN Fc1ccccc1SCC[N@H+]1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826378631 1449602657 /nfs/dbraw/zinc/60/26/57/1449602657.db2.gz SWZRYPZKPBPLKR-QGZVFWFLSA-N 0 2 385.468 3.171 20 0 GGADLN Cc1[nH+]ccn1-c1ccc(CNc2ncc(-c3nnn[n-]3)cc2Cl)cc1F ZINC000737503083 1449643504 /nfs/dbraw/zinc/64/35/04/1449643504.db2.gz ROZPNCSQNLYXNG-UHFFFAOYSA-N 0 2 384.806 3.160 20 0 GGADLN Cc1nn(-c2ccccc2)c(C[N@@H+]2CC[C@@H]2c2cccc(F)c2)c1-c1nnn[n-]1 ZINC000826332205 1449814361 /nfs/dbraw/zinc/81/43/61/1449814361.db2.gz MRSJHAJFJZHNRT-GOSISDBHSA-N 0 2 389.438 3.447 20 0 GGADLN Cc1nn(-c2ccccc2)c(C[N@H+]2CC[C@@H]2c2cccc(F)c2)c1-c1nnn[n-]1 ZINC000826332205 1449814366 /nfs/dbraw/zinc/81/43/66/1449814366.db2.gz MRSJHAJFJZHNRT-GOSISDBHSA-N 0 2 389.438 3.447 20 0 GGADLN Cc1ccc([C@@H](CNc2ccc(-c3nnn[n-]3)c(Cl)c2)[NH+]2CCOCC2)cc1 ZINC000737318485 1449974483 /nfs/dbraw/zinc/97/44/83/1449974483.db2.gz CIQTYAZZUYDFOX-LJQANCHMSA-N 0 2 398.898 3.314 20 0 GGADLN COc1ccccc1[C@@H](Nc1[nH+]c2c(cc1-c1nnn[n-]1)CCC2)c1ccccn1 ZINC000826218801 1449996482 /nfs/dbraw/zinc/99/64/82/1449996482.db2.gz LERHTCKQUQUFIN-HXUWFJFHSA-N 0 2 399.458 3.356 20 0 GGADLN COc1ccc(C[N@H+](Cc2ccco2)Cc2cccnc2)cc1-c1nnn[n-]1 ZINC000826193356 1450253915 /nfs/dbraw/zinc/25/39/15/1450253915.db2.gz BCIXAWMSDZCPJI-UHFFFAOYSA-N 0 2 376.420 3.066 20 0 GGADLN COc1ccc(C[N@@H+](Cc2ccco2)Cc2cccnc2)cc1-c1nnn[n-]1 ZINC000826193356 1450253918 /nfs/dbraw/zinc/25/39/18/1450253918.db2.gz BCIXAWMSDZCPJI-UHFFFAOYSA-N 0 2 376.420 3.066 20 0 GGADLN O[C@@H](CN(Cc1ccccc1)c1[nH+]cccc1-c1nnn[n-]1)c1ccsc1 ZINC000823675810 1450442196 /nfs/dbraw/zinc/44/21/96/1450442196.db2.gz ZTGQILXUMXFVIG-KRWDZBQOSA-N 0 2 378.461 3.063 20 0 GGADLN CCOc1cc2c(cc1[C@@H]1C[C@@H]1Nc1[nH+]ccc(C)c1-c1nnn[n-]1)O[C@@H](C)C2 ZINC000825616044 1450496130 /nfs/dbraw/zinc/49/61/30/1450496130.db2.gz UOQBIXSPMXZEIT-NOLJZWGESA-N 0 2 392.463 3.260 20 0 GGADLN O=C([O-])[C@H](NC(=O)NCCc1cn2c([nH+]1)CCCC2)c1cccc2ccccc21 ZINC000908844501 939334040 /nfs/dbraw/zinc/33/40/40/939334040.db2.gz FAFWKYWQKWDLJT-HXUWFJFHSA-N 0 2 392.459 3.040 20 0 GGADLN C[C@](NC(=O)NCCCCn1cc[nH+]c1)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC000908862090 939340055 /nfs/dbraw/zinc/34/00/55/939340055.db2.gz KGHNCENNSJPJFG-QGZVFWFLSA-N 0 2 399.278 3.269 20 0 GGADLN CC[C@@](NC(=O)NCCCCn1cc[nH+]c1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000908862173 939340064 /nfs/dbraw/zinc/34/00/64/939340064.db2.gz NCSASCIPAFYNNE-SFHVURJKSA-N 0 2 378.860 3.006 20 0 GGADLN Cc1cc(CNC(=O)N[C@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)cc(C)[nH+]1 ZINC000909026199 939372009 /nfs/dbraw/zinc/37/20/09/939372009.db2.gz PHOJFRXCKGNTEB-HNNXBMFYSA-N 0 2 381.354 3.342 20 0 GGADLN CC[N@H+](CC(=O)N[C@H](C(=O)[O-])c1cccc(OC)c1)Cc1ccccc1Cl ZINC000909946406 939745908 /nfs/dbraw/zinc/74/59/08/939745908.db2.gz ANQYYGSYBVVOII-IBGZPJMESA-N 0 2 390.867 3.113 20 0 GGADLN CC[N@@H+](CC(=O)N[C@H](C(=O)[O-])c1cccc(OC)c1)Cc1ccccc1Cl ZINC000909946406 939745910 /nfs/dbraw/zinc/74/59/10/939745910.db2.gz ANQYYGSYBVVOII-IBGZPJMESA-N 0 2 390.867 3.113 20 0 GGADLN O=C([O-])[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000322470745 970891084 /nfs/dbraw/zinc/89/10/84/970891084.db2.gz LTVBXNQAYNBCDR-GFCCVEGCSA-N 0 2 397.147 3.196 20 0 GGADLN O=C([O-])[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000322470745 970891092 /nfs/dbraw/zinc/89/10/92/970891092.db2.gz LTVBXNQAYNBCDR-GFCCVEGCSA-N 0 2 397.147 3.196 20 0 GGADLN O=C([O-])[C@H]1C[N@H+](CC(=O)Nc2nc3ccc(F)cc3s2)Cc2ccccc21 ZINC001601319467 970973812 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3.403 20 0 GGADLN Cc1cccc(S(=O)(=O)Nc2cc(Cl)ccc2-c2nn[nH]n2)c1Cl ZINC000826303737 947873812 /nfs/dbraw/zinc/87/38/12/947873812.db2.gz CBIHSAXRHILFSH-UHFFFAOYSA-N 0 2 384.248 3.283 20 0 GGADLN CC[C@]1(C(=O)[O-])CCC[N@@H+]([C@H](C(=O)OC)c2cccc(Br)c2)C1 ZINC001589605297 949246406 /nfs/dbraw/zinc/24/64/06/949246406.db2.gz RAJDRGGBCJNALP-YOEHRIQHSA-N 0 2 384.270 3.240 20 0 GGADLN CC[C@]1(C(=O)[O-])CCC[N@H+]([C@H](C(=O)OC)c2cccc(Br)c2)C1 ZINC001589605297 949246418 /nfs/dbraw/zinc/24/64/18/949246418.db2.gz RAJDRGGBCJNALP-YOEHRIQHSA-N 0 2 384.270 3.240 20 0 GGADLN O=C([O-])c1ccc(C[NH+]2CCC(O)(c3scnc3Br)CC2)cc1 ZINC001595227447 949319132 /nfs/dbraw/zinc/31/91/32/949319132.db2.gz JJOFYMLXJLZRIT-UHFFFAOYSA-N 0 2 397.294 3.087 20 0 GGADLN CCC[N@H+](CC(=O)[O-])[C@@H](C)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 ZINC001589667623 949907565 /nfs/dbraw/zinc/90/75/65/949907565.db2.gz GCGYPRGZPOLTDD-JTQLQIEISA-N 0 2 383.420 3.212 20 0 GGADLN CCC[N@@H+](CC(=O)[O-])[C@@H](C)C(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1 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/nfs/dbraw/zinc/11/85/63/957118563.db2.gz YFMRDDWJTYTCGV-CQLKUDPESA-N 0 2 394.340 3.286 20 0 GGADLN CC[C@@]1(C(=O)[O-])CCC[N@H+]([C@H](C)C(=O)Nc2c(F)c(F)c(F)c(F)c2F)C1 ZINC000923469763 957118572 /nfs/dbraw/zinc/11/85/72/957118572.db2.gz YFMRDDWJTYTCGV-CQLKUDPESA-N 0 2 394.340 3.286 20 0 GGADLN CC[C@@]1(C(=O)[O-])CCC[N@@H+]([C@@H](C)C(=O)Nc2c(F)c(F)c(F)c(F)c2F)C1 ZINC000923469769 957119061 /nfs/dbraw/zinc/11/90/61/957119061.db2.gz YFMRDDWJTYTCGV-WNWIJWBNSA-N 0 2 394.340 3.286 20 0 GGADLN CC[C@@]1(C(=O)[O-])CCC[N@H+]([C@@H](C)C(=O)Nc2c(F)c(F)c(F)c(F)c2F)C1 ZINC000923469769 957119071 /nfs/dbraw/zinc/11/90/71/957119071.db2.gz YFMRDDWJTYTCGV-WNWIJWBNSA-N 0 2 394.340 3.286 20 0 GGADLN Cn1cc([C@@H]([NH2+]Cc2ccc(N3CCC(C(=O)[O-])CC3)o2)c2ccccc2)cn1 ZINC001120370766 957199284 /nfs/dbraw/zinc/19/92/84/957199284.db2.gz DORAQOGAQAPKDF-NRFANRHFSA-N 0 2 394.475 3.193 20 0 GGADLN CCCn1cc[nH+]c1CCCN(C)C(=O)N[C@H]1C[C@H](C(=O)[O-])c2ccccc21 ZINC001121925139 957236117 /nfs/dbraw/zinc/23/61/17/957236117.db2.gz FUTOPNXUOOTSSC-ROUUACIJSA-N 0 2 384.480 3.180 20 0 GGADLN Cc1cc(NC(=O)C[NH2+][C@@](C)(C(=O)[O-])c2ccccc2)ccc1Br ZINC001594316745 958071694 /nfs/dbraw/zinc/07/16/94/958071694.db2.gz LAMQFYBMSBOXDK-GOSISDBHSA-N 0 2 391.265 3.286 20 0 GGADLN CC(C)(C)n1c[nH+]cc1[C@H]1CCCN(C(=O)NCc2ccc(C(=O)[O-])cc2)C1 ZINC001357120663 958184132 /nfs/dbraw/zinc/18/41/32/958184132.db2.gz LDMSVHSLBBRUKB-KRWDZBQOSA-N 0 2 384.480 3.426 20 0 GGADLN Cc1ccc(-c2[nH]cc[nH+]2)cc1NC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)[O-])C1 ZINC001594337922 958282061 /nfs/dbraw/zinc/28/20/61/958282061.db2.gz RUCSEWQUODEQMN-GOSISDBHSA-N 0 2 389.415 3.043 20 0 GGADLN Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)/C=C\c2ccc(C(=O)[O-])o2)c(C)c1 ZINC001594351022 958356031 /nfs/dbraw/zinc/35/60/31/958356031.db2.gz SLVFRYSJIDWDAQ-GNJLHFKMSA-N 0 2 379.416 3.362 20 0 GGADLN Cc1ccc(C2=NN(C(=O)C[N@@H+](CC(=O)[O-])C(C)C)[C@@H](c3ccco3)C2)cc1 ZINC001594353653 958387143 /nfs/dbraw/zinc/38/71/43/958387143.db2.gz RKTIPCCSLDXRLZ-GOSISDBHSA-N 0 2 383.448 3.061 20 0 GGADLN Cc1ccc(C2=NN(C(=O)C[N@H+](CC(=O)[O-])C(C)C)[C@@H](c3ccco3)C2)cc1 ZINC001594353653 958387144 /nfs/dbraw/zinc/38/71/44/958387144.db2.gz RKTIPCCSLDXRLZ-GOSISDBHSA-N 0 2 383.448 3.061 20 0 GGADLN Cc1ccc(C[N@@H+]2CCO[C@H](CNC(=O)Nc3ccc(C(=O)[O-])c(C)c3)C2)cc1 ZINC001594358716 958429776 /nfs/dbraw/zinc/42/97/76/958429776.db2.gz PCDCZHLLUINTNE-LJQANCHMSA-N 0 2 397.475 3.024 20 0 GGADLN Cc1ccc(C[N@H+]2CCO[C@H](CNC(=O)Nc3ccc(C(=O)[O-])c(C)c3)C2)cc1 ZINC001594358716 958429784 /nfs/dbraw/zinc/42/97/84/958429784.db2.gz PCDCZHLLUINTNE-LJQANCHMSA-N 0 2 397.475 3.024 20 0 GGADLN C[C@@H](NC(=O)NC[C@@](C)(C(=O)[O-])c1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC001603228366 972353251 /nfs/dbraw/zinc/35/32/51/972353251.db2.gz WJYAGVBBWNQGAZ-OPAMFIHVSA-N 0 2 392.459 3.275 20 0 GGADLN C[C@H](NC(=O)NC[C@@](C)(C(=O)[O-])c1ccccc1)c1ccc(-n2cc[nH+]c2)cc1 ZINC001603228365 972353388 /nfs/dbraw/zinc/35/33/88/972353388.db2.gz WJYAGVBBWNQGAZ-KSFYIVLOSA-N 0 2 392.459 3.275 20 0 GGADLN C[C@@H](NC(=O)N[C@@H](Cc1[nH+]ccn1C)c1ccccc1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC001603228389 972354166 /nfs/dbraw/zinc/35/41/66/972354166.db2.gz WWMVEZGOPOJOQD-SPUZQDLCSA-N 0 2 398.507 3.139 20 0 GGADLN Cc1ccc2nc(NC(=O)C[N@H+]3Cc4ccccc4[C@@H](C(=O)[O-])C3)sc2c1 ZINC001594385379 958655345 /nfs/dbraw/zinc/65/53/45/958655345.db2.gz JKSBAGKLOOMBPK-HNNXBMFYSA-N 0 2 381.457 3.227 20 0 GGADLN Cc1ccc2nc(NC(=O)C[N@@H+]3Cc4ccccc4[C@@H](C(=O)[O-])C3)sc2c1 ZINC001594385379 958655352 /nfs/dbraw/zinc/65/53/52/958655352.db2.gz JKSBAGKLOOMBPK-HNNXBMFYSA-N 0 2 381.457 3.227 20 0 GGADLN CC(C)(C)CC[C@@H](NC(=O)Nc1ccccc1OCCn1cc[nH+]c1)C(=O)[O-] ZINC001573394118 958708066 /nfs/dbraw/zinc/70/80/66/958708066.db2.gz AHXATWHWRYGRDJ-MRXNPFEDSA-N 0 2 388.468 3.363 20 0 GGADLN Cc1cccc([C@H](NC(=O)Nc2nc(C[NH+]3CCCCC3)cs2)C(=O)[O-])c1 ZINC001594394008 958754617 /nfs/dbraw/zinc/75/46/17/958754617.db2.gz PRXZHWYLJMTMSM-INIZCTEOSA-N 0 2 388.493 3.385 20 0 GGADLN Cc1cccc([C@@H]([NH2+]CC(=O)NCCc2ccc(C(C)(C)C)cc2)C(=O)[O-])c1 ZINC001594399111 958820176 /nfs/dbraw/zinc/82/01/76/958820176.db2.gz KCXRTLWWABASAS-OAQYLSRUSA-N 0 2 382.504 3.367 20 0 GGADLN Cc1cccc([C@H]([NH2+]CC(=O)NCCc2ccc(C(C)(C)C)cc2)C(=O)[O-])c1 ZINC001594399110 958821871 /nfs/dbraw/zinc/82/18/71/958821871.db2.gz KCXRTLWWABASAS-NRFANRHFSA-N 0 2 382.504 3.367 20 0 GGADLN Cc1cccc([C@H]([NH2+]CC(=O)Nc2ccc(Br)cc2)C(=O)[O-])c1 ZINC001594399210 958823981 /nfs/dbraw/zinc/82/39/81/958823981.db2.gz MGDYMMJBGISZEA-INIZCTEOSA-N 0 2 377.238 3.112 20 0 GGADLN Cc1cccc([C@@H]([NH2+]CC(=O)Nc2ccc(Br)cc2F)C(=O)[O-])c1 ZINC001594399533 958832127 /nfs/dbraw/zinc/83/21/27/958832127.db2.gz PBJZICAQWMAQOE-MRXNPFEDSA-N 0 2 395.228 3.251 20 0 GGADLN Cc1ccccc1Cn1c2ccccc2[nH+]c1NCc1cc(C(=O)[O-])nn1C ZINC001594418106 959031128 /nfs/dbraw/zinc/03/11/28/959031128.db2.gz LEPPCSRSBVVSBI-UHFFFAOYSA-N 0 2 375.432 3.437 20 0 GGADLN C[C@H](C(=O)Nc1c(F)c(F)c(F)c(F)c1F)[N@@H+]1CCC[C@@H](CCC(=O)[O-])C1 ZINC001588557535 959069750 /nfs/dbraw/zinc/06/97/50/959069750.db2.gz JIVNBAVBGBKFLH-BDAKNGLRSA-N 0 2 394.340 3.286 20 0 GGADLN C[C@H](C(=O)Nc1c(F)c(F)c(F)c(F)c1F)[N@H+]1CCC[C@@H](CCC(=O)[O-])C1 ZINC001588557535 959069761 /nfs/dbraw/zinc/06/97/61/959069761.db2.gz JIVNBAVBGBKFLH-BDAKNGLRSA-N 0 2 394.340 3.286 20 0 GGADLN C[C@@H](C(=O)Nc1c(F)c(F)c(F)c(F)c1F)[N@@H+]1CCC[C@@H](CCC(=O)[O-])C1 ZINC001588557547 959070474 /nfs/dbraw/zinc/07/04/74/959070474.db2.gz JIVNBAVBGBKFLH-IUCAKERBSA-N 0 2 394.340 3.286 20 0 GGADLN C[C@@H](C(=O)Nc1c(F)c(F)c(F)c(F)c1F)[N@H+]1CCC[C@@H](CCC(=O)[O-])C1 ZINC001588557547 959070494 /nfs/dbraw/zinc/07/04/94/959070494.db2.gz JIVNBAVBGBKFLH-IUCAKERBSA-N 0 2 394.340 3.286 20 0 GGADLN C[C@@H]1CCC[C@H](C(=O)[O-])[N@@H+]1CC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC001594213708 959311330 /nfs/dbraw/zinc/31/13/30/959311330.db2.gz KVSSZWSSEYXYBW-GDBMZVCRSA-N 0 2 388.464 3.384 20 0 GGADLN C[C@@H]1CCC[C@H](C(=O)[O-])[N@H+]1CC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC001594213708 959311339 /nfs/dbraw/zinc/31/13/39/959311339.db2.gz KVSSZWSSEYXYBW-GDBMZVCRSA-N 0 2 388.464 3.384 20 0 GGADLN C[C@H](C[N@H+](C)Cc1cc(Br)c(O)c(Br)c1)C(=O)[O-] ZINC001573588716 959387757 /nfs/dbraw/zinc/38/77/57/959387757.db2.gz VNKYXAJQZAJIBG-SSDOTTSWSA-N 0 2 381.064 3.070 20 0 GGADLN C[C@H](C[N@@H+](C)Cc1cc(Br)c(O)c(Br)c1)C(=O)[O-] ZINC001573588716 959387775 /nfs/dbraw/zinc/38/77/75/959387775.db2.gz VNKYXAJQZAJIBG-SSDOTTSWSA-N 0 2 381.064 3.070 20 0 GGADLN CC[N@@H+]1CCc2nc3ccccc3c(C(=O)Nc3ccc(C(=O)[O-])c(O)c3)c2C1 ZINC000170580363 959416735 /nfs/dbraw/zinc/41/67/35/959416735.db2.gz KBUKYGLFQZJSBL-UHFFFAOYSA-N 0 2 391.427 3.269 20 0 GGADLN CC[N@H+]1CCc2nc3ccccc3c(C(=O)Nc3ccc(C(=O)[O-])c(O)c3)c2C1 ZINC000170580363 959416747 /nfs/dbraw/zinc/41/67/47/959416747.db2.gz KBUKYGLFQZJSBL-UHFFFAOYSA-N 0 2 391.427 3.269 20 0 GGADLN C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)Nc2ccc(C(=O)[O-])cc2F)CC1 ZINC001573644156 959631051 /nfs/dbraw/zinc/63/10/51/959631051.db2.gz WLSQOZRFDRIHBF-LBPRGKRZSA-N 0 2 377.441 3.496 20 0 GGADLN Cc1[nH]c(C(=O)[C@H](C)N2CC[NH+](C/C=C\c3ccccc3)CC2)c(C)c1C(=O)[O-] ZINC000206051382 959661231 /nfs/dbraw/zinc/66/12/31/959661231.db2.gz SRXNFLNKJZAZRG-VOCYLRNQSA-N 0 2 395.503 3.232 20 0 GGADLN C[NH+](C)Cc1csc(CNC(=O)Nc2ccc(F)c(C(=O)[O-])c2Cl)n1 ZINC001604074900 972467487 /nfs/dbraw/zinc/46/74/87/972467487.db2.gz MVZMMNKQRUFDRY-UHFFFAOYSA-N 0 2 386.836 3.017 20 0 GGADLN CC(C)(C)CC[C@H]([NH2+]Cc1ncc(I)s1)C(=O)[O-] ZINC001588653088 960398207 /nfs/dbraw/zinc/39/82/07/960398207.db2.gz MPTMPXLFDZGRTM-QMMMGPOBSA-N 0 2 382.267 3.117 20 0 GGADLN CC(C)(C(=O)N1CC[NH+]([C@H](C(=O)[O-])c2ccc(Cl)cc2)CC1)C(F)(F)F ZINC001123285031 960440153 /nfs/dbraw/zinc/44/01/53/960440153.db2.gz KZOXMYDTYSSRBI-ZDUSSCGKSA-N 0 2 392.805 3.198 20 0 GGADLN CC(C)(C)OC(=O)C[N@H+](Cc1ccc(N2CCC(C(=O)[O-])CC2)o1)C1CCC1 ZINC001588670610 960514842 /nfs/dbraw/zinc/51/48/42/960514842.db2.gz GSMQOPBHLAMQNJ-UHFFFAOYSA-N 0 2 392.496 3.277 20 0 GGADLN CC(C)(C)OC(=O)C[N@@H+](Cc1ccc(N2CCC(C(=O)[O-])CC2)o1)C1CCC1 ZINC001588670610 960514852 /nfs/dbraw/zinc/51/48/52/960514852.db2.gz GSMQOPBHLAMQNJ-UHFFFAOYSA-N 0 2 392.496 3.277 20 0 GGADLN O=C([O-])COc1ccccc1C[NH+]1CCN(c2ncc(Cl)cc2Cl)CC1 ZINC001231797019 960629579 /nfs/dbraw/zinc/62/95/79/960629579.db2.gz PXTUVWVQUIDLBK-UHFFFAOYSA-N 0 2 396.274 3.174 20 0 GGADLN O=C([O-])c1ccc(F)c(S(=O)(=O)Nc2cccc(C[NH+]3CCCCC3)c2)c1 ZINC001260215131 960707757 /nfs/dbraw/zinc/70/77/57/960707757.db2.gz KEJKHBWDWQKMMQ-UHFFFAOYSA-N 0 2 392.452 3.311 20 0 GGADLN O=C([O-])c1c[nH]c2cc(NC(=O)[C@@H]3CCCC[N@@H+]3Cc3cccnc3)ccc12 ZINC001262178918 960823117 /nfs/dbraw/zinc/82/31/17/960823117.db2.gz VROOFNKURJNXMJ-IBGZPJMESA-N 0 2 378.432 3.254 20 0 GGADLN O=C([O-])c1c[nH]c2cc(NC(=O)[C@@H]3CCCC[N@H+]3Cc3cccnc3)ccc12 ZINC001262178918 960823132 /nfs/dbraw/zinc/82/31/32/960823132.db2.gz VROOFNKURJNXMJ-IBGZPJMESA-N 0 2 378.432 3.254 20 0 GGADLN O=C([O-])CC1(CNC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(Cl)cc2)CCCC1 ZINC001263633232 960893191 /nfs/dbraw/zinc/89/31/91/960893191.db2.gz LHQYHQXWGHYKHZ-KRWDZBQOSA-N 0 2 378.900 3.456 20 0 GGADLN O=C([O-])CC1(CNC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(Cl)cc2)CCCC1 ZINC001263633232 960893215 /nfs/dbraw/zinc/89/32/15/960893215.db2.gz LHQYHQXWGHYKHZ-KRWDZBQOSA-N 0 2 378.900 3.456 20 0 GGADLN Cc1ccccc1[C@@H]1C[N@H+](Cc2ccc(N3CCC[C@@H](C(=O)[O-])C3)o2)CCO1 ZINC001574404310 961252972 /nfs/dbraw/zinc/25/29/72/961252972.db2.gz DZCORCFGNKUTGJ-XLIONFOSSA-N 0 2 384.476 3.463 20 0 GGADLN Cc1ccccc1[C@@H]1C[N@@H+](Cc2ccc(N3CCC[C@@H](C(=O)[O-])C3)o2)CCO1 ZINC001574404310 961252990 /nfs/dbraw/zinc/25/29/90/961252990.db2.gz DZCORCFGNKUTGJ-XLIONFOSSA-N 0 2 384.476 3.463 20 0 GGADLN O=C([O-])[C@@H]1C[N@H+](Cc2noc(-c3ccccc3)n2)C[C@H]1c1ccc(F)cc1F ZINC001329712118 961303575 /nfs/dbraw/zinc/30/35/75/961303575.db2.gz IGPGEKSUNFJGQQ-JKSUJKDBSA-N 0 2 385.370 3.315 20 0 GGADLN O=C([O-])[C@@H]1C[N@@H+](Cc2noc(-c3ccccc3)n2)C[C@H]1c1ccc(F)cc1F ZINC001329712118 961303586 /nfs/dbraw/zinc/30/35/86/961303586.db2.gz IGPGEKSUNFJGQQ-JKSUJKDBSA-N 0 2 385.370 3.315 20 0 GGADLN Cc1nc(NCc2cccc(C(=O)N[C@](C)(C(=O)[O-])c3ccccc3)c2)cc[nH+]1 ZINC001574428478 961378458 /nfs/dbraw/zinc/37/84/58/961378458.db2.gz FEAILGDJBJQCKQ-QFIPXVFZSA-N 0 2 390.443 3.127 20 0 GGADLN CCOc1ccc(CN(CCCn2cc[nH+]c2)C(=O)c2ccc(C(=O)[O-])o2)cc1 ZINC001332202485 961529044 /nfs/dbraw/zinc/52/90/44/961529044.db2.gz JHSVIUWKUYKEGW-UHFFFAOYSA-N 0 2 397.431 3.306 20 0 GGADLN CN(C)c1[nH+]ccc2cc(NC(=O)NC[C@@](C)(C(=O)[O-])c3ccccc3)ccc21 ZINC001573996675 961841373 /nfs/dbraw/zinc/84/13/73/961841373.db2.gz BKBAAQOJGSKMPH-JOCHJYFZSA-N 0 2 392.459 3.465 20 0 GGADLN CC(C)[N@H+](CC(=O)OC(C)(C)C)Cc1ccc(N2CCC(C(=O)[O-])CC2)o1 ZINC001588918340 962357719 /nfs/dbraw/zinc/35/77/19/962357719.db2.gz RZJPPEQTZWYSLH-UHFFFAOYSA-N 0 2 380.485 3.133 20 0 GGADLN CC(C)[N@@H+](CC(=O)OC(C)(C)C)Cc1ccc(N2CCC(C(=O)[O-])CC2)o1 ZINC001588918340 962357738 /nfs/dbraw/zinc/35/77/38/962357738.db2.gz RZJPPEQTZWYSLH-UHFFFAOYSA-N 0 2 380.485 3.133 20 0 GGADLN O=C([O-])[C@@H]1CCCN(c2ccc(C[NH2+]Cc3ccn(-c4ccccc4)n3)o2)C1 ZINC001574651845 962438971 /nfs/dbraw/zinc/43/89/71/962438971.db2.gz LLRQPQSRJZJTTJ-MRXNPFEDSA-N 0 2 380.448 3.056 20 0 GGADLN O=C([O-])[C@@H]1CCCN(c2ccc(C[N@@H+]3CCO[C@H](c4ccccc4F)C3)o2)C1 ZINC001574652029 962446776 /nfs/dbraw/zinc/44/67/76/962446776.db2.gz RTALJWHQCAHCLB-BEFAXECRSA-N 0 2 388.439 3.293 20 0 GGADLN O=C([O-])[C@@H]1CCCN(c2ccc(C[N@H+]3CCO[C@H](c4ccccc4F)C3)o2)C1 ZINC001574652029 962446790 /nfs/dbraw/zinc/44/67/90/962446790.db2.gz RTALJWHQCAHCLB-BEFAXECRSA-N 0 2 388.439 3.293 20 0 GGADLN O=C([O-])[C@H]1CCN(C(=O)Cc2c[nH+]cn2Cc2ccccc2)c2ccccc21 ZINC001574656204 962459800 /nfs/dbraw/zinc/45/98/00/962459800.db2.gz QNIQKOPRLCINJM-IBGZPJMESA-N 0 2 375.428 3.079 20 0 GGADLN O=C([O-])c1cc2cccnc2c(NC(=O)[C@H]2CCCC[N@@H+]2Cc2cccnc2)c1 ZINC001350902226 962606008 /nfs/dbraw/zinc/60/60/08/962606008.db2.gz GZCGFWIDFAJVGQ-LJQANCHMSA-N 0 2 390.443 3.321 20 0 GGADLN O=C([O-])c1cc2cccnc2c(NC(=O)[C@H]2CCCC[N@H+]2Cc2cccnc2)c1 ZINC001350902226 962606021 /nfs/dbraw/zinc/60/60/21/962606021.db2.gz GZCGFWIDFAJVGQ-LJQANCHMSA-N 0 2 390.443 3.321 20 0 GGADLN CC(C)c1nc([C@H](C)[NH2+][C@@H]2CCN([C@@H](C(=O)[O-])c3ccccc3)C2=O)cs1 ZINC001588974856 962685461 /nfs/dbraw/zinc/68/54/61/962685461.db2.gz NVFBZUSITDYMKP-YSVLISHTSA-N 0 2 387.505 3.344 20 0 GGADLN O=C([O-])c1ccc(C[NH+]2CCN(C(=O)c3ccc(F)cc3Cl)CC2)cc1 ZINC000263581029 962747412 /nfs/dbraw/zinc/74/74/12/962747412.db2.gz WPVLYAHNUOTIQF-UHFFFAOYSA-N 0 2 376.815 3.135 20 0 GGADLN CCC[N@H+](CC(=O)[O-])Cc1nc(=O)c2sc(-c3ccc(F)cc3)cc2[nH]1 ZINC000263582098 962748519 /nfs/dbraw/zinc/74/85/19/962748519.db2.gz YCLTWRAOPFLNAY-UHFFFAOYSA-N 0 2 375.425 3.500 20 0 GGADLN CCC[N@@H+](CC(=O)[O-])Cc1nc(=O)c2sc(-c3ccc(F)cc3)cc2[nH]1 ZINC000263582098 962748535 /nfs/dbraw/zinc/74/85/35/962748535.db2.gz YCLTWRAOPFLNAY-UHFFFAOYSA-N 0 2 375.425 3.500 20 0 GGADLN COc1cc(C[N@@H+]2CCc3ccccc3[C@H]2C(=O)[O-])c(Br)cn1 ZINC001574185294 962826212 /nfs/dbraw/zinc/82/62/12/962826212.db2.gz PUQCISXUHOUVGD-INIZCTEOSA-N 0 2 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O=C([O-])c1cccc(CNC(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC000666563427 968846660 /nfs/dbraw/zinc/84/66/60/968846660.db2.gz DMRXRXNPDUFLNM-KRWDZBQOSA-N 0 2 382.464 3.007 20 0 GGADLN COc1cccc([C@H](C)[NH+]2CCN(C(=O)Nc3cccc(CC(=O)[O-])c3)CC2)c1 ZINC000738113775 969140079 /nfs/dbraw/zinc/14/00/79/969140079.db2.gz BGLOJQAPWYZIBD-INIZCTEOSA-N 0 2 397.475 3.233 20 0 GGADLN Cc1ccc(S(=O)(=O)C2CC[NH+](Cc3ccc(C(=O)[O-])s3)CC2)cc1 ZINC000872166546 969350603 /nfs/dbraw/zinc/35/06/03/969350603.db2.gz YCFNTJISPGEROG-UHFFFAOYSA-N 0 2 379.503 3.193 20 0 GGADLN Cc1cc(Oc2cc(Cl)ccc2C[N@H+](C)CC(=O)NCC(=O)[O-])ccc1F ZINC000883411426 969406669 /nfs/dbraw/zinc/40/66/69/969406669.db2.gz YFLIZNSGAMFSPE-UHFFFAOYSA-N 0 2 394.830 3.212 20 0 GGADLN Cc1cc(Oc2cc(Cl)ccc2C[N@@H+](C)CC(=O)NCC(=O)[O-])ccc1F ZINC000883411426 969406675 /nfs/dbraw/zinc/40/66/75/969406675.db2.gz YFLIZNSGAMFSPE-UHFFFAOYSA-N 0 2 394.830 3.212 20 0 GGADLN C[C@@H](c1cccc(NC(=O)N2CCCC[C@H]2CCC(=O)[O-])c1)[NH+]1CCOCC1 ZINC000899310150 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20 0 GGADLN C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)[C@H]1C(=O)[O-] ZINC001603409645 973084305 /nfs/dbraw/zinc/08/43/05/973084305.db2.gz LBORAKQGHFTUDS-AUUYWEPGSA-N 0 2 388.464 3.242 20 0 GGADLN Cc1cccc(C)c1NC(=O)C[N@@H+](C)Cc1ccc(N2CCC[C@@H](C(=O)[O-])C2)o1 ZINC001605335838 973222309 /nfs/dbraw/zinc/22/23/09/973222309.db2.gz SAEAWUBXKVYACU-QGZVFWFLSA-N 0 2 399.491 3.268 20 0 GGADLN Cc1cccc(C)c1NC(=O)C[N@H+](C)Cc1ccc(N2CCC[C@@H](C(=O)[O-])C2)o1 ZINC001605335838 973222321 /nfs/dbraw/zinc/22/23/21/973222321.db2.gz SAEAWUBXKVYACU-QGZVFWFLSA-N 0 2 399.491 3.268 20 0 GGADLN C[C@@H]1C[N@H+](Cc2ccc(N3CCC[C@@H](C(=O)[O-])C3)o2)C[C@@H](CC(F)(F)F)O1 ZINC001603460743 973291469 /nfs/dbraw/zinc/29/14/69/973291469.db2.gz ISOHQRMDNOKBQC-UMVBOHGHSA-N 0 2 390.402 3.122 20 0 GGADLN C[C@@H]1C[N@@H+](Cc2ccc(N3CCC[C@@H](C(=O)[O-])C3)o2)C[C@@H](CC(F)(F)F)O1 ZINC001603460743 973291474 /nfs/dbraw/zinc/29/14/74/973291474.db2.gz ISOHQRMDNOKBQC-UMVBOHGHSA-N 0 2 390.402 3.122 20 0 GGADLN C[C@@H]1C[N@H+](Cc2ccc(N3CCC[C@H](C(=O)[O-])C3)o2)C[C@@H](CC(F)(F)F)O1 ZINC001603460744 973291522 /nfs/dbraw/zinc/29/15/22/973291522.db2.gz ISOHQRMDNOKBQC-VNHYZAJKSA-N 0 2 390.402 3.122 20 0 GGADLN C[C@@H]1C[N@@H+](Cc2ccc(N3CCC[C@H](C(=O)[O-])C3)o2)C[C@@H](CC(F)(F)F)O1 ZINC001603460744 973291532 /nfs/dbraw/zinc/29/15/32/973291532.db2.gz ISOHQRMDNOKBQC-VNHYZAJKSA-N 0 2 390.402 3.122 20 0 GGADLN C[C@@H]1C[N@H+](Cc2ccc(N3CCC[C@@H](C(=O)[O-])C3)o2)C[C@H](CC(F)(F)F)O1 ZINC001603460742 973292097 /nfs/dbraw/zinc/29/20/97/973292097.db2.gz ISOHQRMDNOKBQC-NFAWXSAZSA-N 0 2 390.402 3.122 20 0 GGADLN C[C@@H]1C[N@@H+](Cc2ccc(N3CCC[C@@H](C(=O)[O-])C3)o2)C[C@H](CC(F)(F)F)O1 ZINC001603460742 973292103 /nfs/dbraw/zinc/29/21/03/973292103.db2.gz ISOHQRMDNOKBQC-NFAWXSAZSA-N 0 2 390.402 3.122 20 0 GGADLN CC[C@H](C(=O)OC(C)(C)C)[N@H+](C)Cc1ccc(N2CCC[C@@H](C(=O)[O-])C2)o1 ZINC001603504591 973479906 /nfs/dbraw/zinc/47/99/06/973479906.db2.gz DPEPSGDFEFWQAQ-GDBMZVCRSA-N 0 2 380.485 3.133 20 0 GGADLN 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ZINC000424449533 974036549 /nfs/dbraw/zinc/03/65/49/974036549.db2.gz LKUSLNZPMIXOTA-CVEARBPZSA-N 0 2 399.894 3.415 20 0 GGADLN CC[N@H+]1CC[C@@H](NC(=O)NCCC(C)(C)C(=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000424449533 974036559 /nfs/dbraw/zinc/03/65/59/974036559.db2.gz LKUSLNZPMIXOTA-CVEARBPZSA-N 0 2 399.894 3.415 20 0 GGADLN O=C([O-])[C@@H]([NH2+]CC(=O)NCC1(c2ccccc2)CCCC1)c1ccc(F)cc1 ZINC001605698490 974118035 /nfs/dbraw/zinc/11/80/35/974118035.db2.gz DZLXQIFAUMNLKO-FQEVSTJZSA-N 0 2 384.451 3.169 20 0 GGADLN CC[N@@H+]1CC[C@H](NC(=O)c2cccc(C(=O)[O-])c2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000455772676 974151601 /nfs/dbraw/zinc/15/16/01/974151601.db2.gz BVMXKAMJQGVZJA-WMZOPIPTSA-N 0 2 392.377 3.367 20 0 GGADLN CC[N@H+]1CC[C@H](NC(=O)c2cccc(C(=O)[O-])c2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000455772676 974151605 /nfs/dbraw/zinc/15/16/05/974151605.db2.gz BVMXKAMJQGVZJA-WMZOPIPTSA-N 0 2 392.377 3.367 20 0 GGADLN CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(C(=O)[O-])cc2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000455793755 974151956 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375.472 3.490 20 0 GGADLN O=C([O-])c1cn(C2CC[NH+](Cc3csc(CCc4ccccc4)n3)CC2)nn1 ZINC000570942924 974720606 /nfs/dbraw/zinc/72/06/06/974720606.db2.gz OJBVNOQHYRVKLY-UHFFFAOYSA-N 0 2 397.504 3.055 20 0 GGADLN C[C@H](c1nc2ccccc2n1C(F)F)[NH+]1CCC(n2cc(C(=O)[O-])nn2)CC1 ZINC000573221502 974762182 /nfs/dbraw/zinc/76/21/82/974762182.db2.gz FQMHRMCXFZDIFY-LLVKDONJSA-N 0 2 390.394 3.119 20 0 GGADLN O=C([O-])C1(C(=O)N2CC[NH+](Cc3ccc(-c4ccccc4F)s3)CC2)CC1 ZINC000580333784 974892597 /nfs/dbraw/zinc/89/25/97/974892597.db2.gz ZQWLQCRIISHFNT-UHFFFAOYSA-N 0 2 388.464 3.063 20 0 GGADLN COc1cc(-c2noc(C[N@@H+]3CC[C@@H](C)C[C@@H]3C(=O)[O-])n2)ccc1OC(F)F ZINC000583029968 974935133 /nfs/dbraw/zinc/93/51/33/974935133.db2.gz JRTWYPLPCLXPLB-ZYHUDNBSSA-N 0 2 397.378 3.032 20 0 GGADLN COc1cc(-c2noc(C[N@H+]3CC[C@@H](C)C[C@@H]3C(=O)[O-])n2)ccc1OC(F)F ZINC000583029968 974935139 /nfs/dbraw/zinc/93/51/39/974935139.db2.gz JRTWYPLPCLXPLB-ZYHUDNBSSA-N 0 2 397.378 3.032 20 0 GGADLN O=C([O-])c1ccc(OC[C@H](O)C[N@H+](Cc2c(F)cccc2F)C2CC2)cc1 ZINC000583505021 974942184 /nfs/dbraw/zinc/94/21/84/974942184.db2.gz OSYRPVXUZFAMKM-OAHLLOKOSA-N 0 2 377.387 3.067 20 0 GGADLN O=C([O-])c1ccc(OC[C@H](O)C[N@@H+](Cc2c(F)cccc2F)C2CC2)cc1 ZINC000583505021 974942187 /nfs/dbraw/zinc/94/21/87/974942187.db2.gz OSYRPVXUZFAMKM-OAHLLOKOSA-N 0 2 377.387 3.067 20 0 GGADLN CN(C)c1nc(N2CCC(c3ncc(C(=O)[O-])s3)CC2)[nH+]c2ccccc21 ZINC000629383886 975092770 /nfs/dbraw/zinc/09/27/70/975092770.db2.gz JYSHSLALQYHJHG-UHFFFAOYSA-N 0 2 383.477 3.235 20 0 GGADLN O=C([O-])[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC000630097459 975099419 /nfs/dbraw/zinc/09/94/19/975099419.db2.gz YIHJFXBXZRNGIA-MOPGFXCFSA-N 0 2 386.879 3.117 20 0 GGADLN O=C([O-])[C@@H](Cc1ccccc1)NC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(Cl)cc1 ZINC000630097459 975099426 /nfs/dbraw/zinc/09/94/26/975099426.db2.gz YIHJFXBXZRNGIA-MOPGFXCFSA-N 0 2 386.879 3.117 20 0 GGADLN C[C@H]1CN(C(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)CC[C@H]1C(=O)[O-] ZINC000630565483 975267976 /nfs/dbraw/zinc/26/79/76/975267976.db2.gz NBJVZGZOFSKNLT-GOEBONIOSA-N 0 2 380.448 3.176 20 0 GGADLN COc1cccc([C@@H](C(=O)[O-])N2CC[NH+](Cc3cc4ccccc4[nH]3)CC2)c1 ZINC000634693088 975272895 /nfs/dbraw/zinc/27/28/95/975272895.db2.gz PYVCIRWYAIFLCC-NRFANRHFSA-N 0 2 379.460 3.120 20 0 GGADLN O=C([O-])c1ccc(N[C@H]2CC(=O)N(Cc3ccccc3C(F)(F)F)C2)[nH+]c1 ZINC000647453012 975363762 /nfs/dbraw/zinc/36/37/62/975363762.db2.gz TZFLRBFRHJBMRL-ZDUSSCGKSA-N 0 2 379.338 3.012 20 0 GGADLN CC[N@@H+]1CC[C@H](NC(=O)c2ccc(C(=O)[O-])cn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000647739604 975375636 /nfs/dbraw/zinc/37/56/36/975375636.db2.gz JXMOWZYZYLJKPQ-DOTOQJQBSA-N 0 2 391.830 3.138 20 0 GGADLN CC[N@H+]1CC[C@H](NC(=O)c2ccc(C(=O)[O-])cn2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000647739604 975375640 /nfs/dbraw/zinc/37/56/40/975375640.db2.gz JXMOWZYZYLJKPQ-DOTOQJQBSA-N 0 2 391.830 3.138 20 0 GGADLN O=C([O-])C1(C(=O)N2CC[NH+]([C@@H](c3ccccc3)c3ccccc3Cl)CC2)CC1 ZINC000649462657 975422251 /nfs/dbraw/zinc/42/22/51/975422251.db2.gz OGUZYQKZXMWFQB-IBGZPJMESA-N 0 2 398.890 3.438 20 0 GGADLN CC(C)Nc1nn(C[N@H+]2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)c(=S)s1 ZINC001591671994 975431483 /nfs/dbraw/zinc/43/14/83/975431483.db2.gz IMJJFAHDXPLDNC-UONOGXRCSA-N 0 2 378.523 3.252 20 0 GGADLN CC(C)Nc1nn(C[N@@H+]2C[C@@H](c3ccccc3)[C@H](C(=O)[O-])C2)c(=S)s1 ZINC001591671994 975431487 /nfs/dbraw/zinc/43/14/87/975431487.db2.gz IMJJFAHDXPLDNC-UONOGXRCSA-N 0 2 378.523 3.252 20 0 GGADLN CC(C)Nc1nn(C[N@@H+]2CC[C@](C(=O)[O-])(c3ccccc3)C2)c(=S)s1 ZINC001591672240 975433985 /nfs/dbraw/zinc/43/39/85/975433985.db2.gz OXTRODXFJBQOFN-QGZVFWFLSA-N 0 2 378.523 3.180 20 0 GGADLN CC(C)Nc1nn(C[N@H+]2CC[C@](C(=O)[O-])(c3ccccc3)C2)c(=S)s1 ZINC001591672240 975433989 /nfs/dbraw/zinc/43/39/89/975433989.db2.gz OXTRODXFJBQOFN-QGZVFWFLSA-N 0 2 378.523 3.180 20 0 GGADLN O=C([O-])[C@@H]1CC[C@H](C(=O)N[C@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)C1 ZINC000653298819 975579672 /nfs/dbraw/zinc/57/96/72/975579672.db2.gz LDHPXLSIHWROKG-ZENOOKHLSA-N 0 2 382.863 3.061 20 0 GGADLN O=C([O-])[C@@H]1CC[C@H](C(=O)N[C@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)C1 ZINC000653298819 975579683 /nfs/dbraw/zinc/57/96/83/975579683.db2.gz LDHPXLSIHWROKG-ZENOOKHLSA-N 0 2 382.863 3.061 20 0 GGADLN O=C([O-])[C@@H]1CC[C@H](C(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)C1 ZINC000653308818 975582834 /nfs/dbraw/zinc/58/28/34/975582834.db2.gz RCFPIGQGOPVLFA-ZENOOKHLSA-N 0 2 382.863 3.233 20 0 GGADLN Cc1ccccc1Cc1noc(C[N@@H+]2C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C2)n1 ZINC000656757853 975684250 /nfs/dbraw/zinc/68/42/50/975684250.db2.gz VEAKTJPQTKPROM-KGLIPLIRSA-N 0 2 383.370 3.054 20 0 GGADLN Cc1ccccc1Cc1noc(C[N@H+]2C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C2)n1 ZINC000656757853 975684257 /nfs/dbraw/zinc/68/42/57/975684257.db2.gz VEAKTJPQTKPROM-KGLIPLIRSA-N 0 2 383.370 3.054 20 0 GGADLN O=C([O-])[C@@H]1C[N@H+](CC(=O)Nc2ccccc2C(F)(F)F)Cc2ccccc21 ZINC000662220996 975901483 /nfs/dbraw/zinc/90/14/83/975901483.db2.gz BOZCODRENOLBSU-CQSZACIVSA-N 0 2 378.350 3.328 20 0 GGADLN O=C([O-])[C@@H]1C[N@@H+](CC(=O)Nc2ccccc2C(F)(F)F)Cc2ccccc21 ZINC000662220996 975901486 /nfs/dbraw/zinc/90/14/86/975901486.db2.gz BOZCODRENOLBSU-CQSZACIVSA-N 0 2 378.350 3.328 20 0 GGADLN O=C([O-])CCCCNC(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000666516481 975964891 /nfs/dbraw/zinc/96/48/91/975964891.db2.gz WBNQDJVXOFQGAC-OAHLLOKOSA-N 0 2 385.867 3.170 20 0 GGADLN COc1cc(C[N@@H+]2CCO[C@H](C(=O)[O-])C2)ccc1OCc1ccc(Cl)cc1 ZINC000666580728 975974753 /nfs/dbraw/zinc/97/47/53/975974753.db2.gz QCOLWJRKBYLIPY-IBGZPJMESA-N 0 2 391.851 3.213 20 0 GGADLN COc1cc(C[N@H+]2CCO[C@H](C(=O)[O-])C2)ccc1OCc1ccc(Cl)cc1 ZINC000666580728 975974761 /nfs/dbraw/zinc/97/47/61/975974761.db2.gz QCOLWJRKBYLIPY-IBGZPJMESA-N 0 2 391.851 3.213 20 0 GGADLN CC(C)S(=O)(=O)CCC[N@H+](C)[C@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC001591820942 976067343 /nfs/dbraw/zinc/06/73/43/976067343.db2.gz YYGTZKMHUSARTG-AWEZNQCLSA-N 0 2 382.309 3.264 20 0 GGADLN CC(C)S(=O)(=O)CCC[N@@H+](C)[C@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC001591820942 976067354 /nfs/dbraw/zinc/06/73/54/976067354.db2.gz YYGTZKMHUSARTG-AWEZNQCLSA-N 0 2 382.309 3.264 20 0 GGADLN CC(C)S(=O)(=O)CCC[N@H+](C)[C@@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC001591820946 976068065 /nfs/dbraw/zinc/06/80/65/976068065.db2.gz YYGTZKMHUSARTG-CQSZACIVSA-N 0 2 382.309 3.264 20 0 GGADLN CC(C)S(=O)(=O)CCC[N@@H+](C)[C@@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC001591820946 976068080 /nfs/dbraw/zinc/06/80/80/976068080.db2.gz YYGTZKMHUSARTG-CQSZACIVSA-N 0 2 382.309 3.264 20 0 GGADLN CC(C)[C@H](NC(=O)C[N@H+]1CC=C(c2ccc(Cl)c(Cl)c2)CC1)C(=O)[O-] ZINC001591865947 976165019 /nfs/dbraw/zinc/16/50/19/976165019.db2.gz FMHAZPVZGXYBPJ-KRWDZBQOSA-N 0 2 385.291 3.308 20 0 GGADLN CC(C)[C@H](NC(=O)C[N@@H+]1CC=C(c2ccc(Cl)c(Cl)c2)CC1)C(=O)[O-] ZINC001591865947 976165023 /nfs/dbraw/zinc/16/50/23/976165023.db2.gz FMHAZPVZGXYBPJ-KRWDZBQOSA-N 0 2 385.291 3.308 20 0 GGADLN CC(C)[C@H](NC(=O)C[N@H+](Cc1ccccc1Br)C(C)(C)C)C(=O)[O-] ZINC001591866336 976168597 /nfs/dbraw/zinc/16/85/97/976168597.db2.gz GCJUBWDSEFCIME-INIZCTEOSA-N 0 2 399.329 3.275 20 0 GGADLN CC(C)[C@H](NC(=O)C[N@@H+](Cc1ccccc1Br)C(C)(C)C)C(=O)[O-] ZINC001591866336 976168608 /nfs/dbraw/zinc/16/86/08/976168608.db2.gz GCJUBWDSEFCIME-INIZCTEOSA-N 0 2 399.329 3.275 20 0 GGADLN CC(C)[C@H](NC(=O)C[N@H+]1CC=C(c2ccccc2C(F)(F)F)CC1)C(=O)[O-] ZINC001591868601 976191613 /nfs/dbraw/zinc/19/16/13/976191613.db2.gz XCECGTTYJPPUEV-KRWDZBQOSA-N 0 2 384.398 3.020 20 0 GGADLN CC(C)[C@H](NC(=O)C[N@@H+]1CC=C(c2ccccc2C(F)(F)F)CC1)C(=O)[O-] ZINC001591868601 976191620 /nfs/dbraw/zinc/19/16/20/976191620.db2.gz XCECGTTYJPPUEV-KRWDZBQOSA-N 0 2 384.398 3.020 20 0 GGADLN CC(C)c1[nH]c(C[N@@H+]2CC[C@@H](F)[C@H](NC(=O)OC(C)(C)C)C2)cc1C(=O)[O-] ZINC001591912761 976351349 /nfs/dbraw/zinc/35/13/49/976351349.db2.gz RPHHRVBTWLNTKS-HUUCEWRRSA-N 0 2 383.464 3.273 20 0 GGADLN CC(C)c1[nH]c(C[N@H+]2CC[C@@H](F)[C@H](NC(=O)OC(C)(C)C)C2)cc1C(=O)[O-] ZINC001591912761 976351364 /nfs/dbraw/zinc/35/13/64/976351364.db2.gz RPHHRVBTWLNTKS-HUUCEWRRSA-N 0 2 383.464 3.273 20 0 GGADLN CC(C)c1ccc(-c2nc(C(=O)N[C@H](Cn3cc[nH+]c3)C(=O)[O-])cs2)cc1 ZINC001591935591 976453639 /nfs/dbraw/zinc/45/36/39/976453639.db2.gz CVEWCHWDBVJDMP-OAHLLOKOSA-N 0 2 384.461 3.013 20 0 GGADLN CC(C)c1ccc(C[NH+]2CCN(C(=O)c3ccsc3CC(=O)[O-])CC2)cc1 ZINC001591953824 976520586 /nfs/dbraw/zinc/52/05/86/976520586.db2.gz DIGTUVITDJVFLJ-UHFFFAOYSA-N 0 2 386.517 3.457 20 0 GGADLN CC(C)c1noc([C@H](C)[N@@H+]2C[C@H](C(=O)OC(C)(C)C)C3(CC(C(=O)[O-])C3)C2)n1 ZINC001592093838 976850441 /nfs/dbraw/zinc/85/04/41/976850441.db2.gz UTTKLQGICKBJAL-ZLSHJHNNSA-N 0 2 393.484 3.009 20 0 GGADLN CC(C)c1noc([C@H](C)[N@H+]2C[C@H](C(=O)OC(C)(C)C)C3(CC(C(=O)[O-])C3)C2)n1 ZINC001592093838 976850449 /nfs/dbraw/zinc/85/04/49/976850449.db2.gz UTTKLQGICKBJAL-ZLSHJHNNSA-N 0 2 393.484 3.009 20 0 GGADLN C[C@@H](CC(=O)Nc1cccc(C(=O)[O-])c1)[NH2+]c1ccc(N2CCOCC2)cc1 ZINC001592274012 977546234 /nfs/dbraw/zinc/54/62/34/977546234.db2.gz IOFOKLHZSNHENE-HNNXBMFYSA-N 0 2 383.448 3.051 20 0 GGADLN C[C@H](CC(=O)Nc1cccc(C(=O)[O-])c1)[NH2+]c1ccc(N2CCOC[C@@H]2C)cc1 ZINC001592274160 977547503 /nfs/dbraw/zinc/54/75/03/977547503.db2.gz KSVAZVFAVUWRAE-CVEARBPZSA-N 0 2 397.475 3.439 20 0 GGADLN C[C@@](CC(=O)[O-])([NH2+]Cc1nc2ccc(Br)cc2[nH]1)c1ccncc1 ZINC001592330815 977770134 /nfs/dbraw/zinc/77/01/34/977770134.db2.gz YWJOBBFFPGJVAM-KRWDZBQOSA-N 0 2 389.253 3.200 20 0 GGADLN C[C@@H](C[N@H+](C)Cc1coc(-c2ccc(C(=O)[O-])cc2)n1)NC(=O)OC(C)(C)C ZINC001592586485 978509261 /nfs/dbraw/zinc/50/92/61/978509261.db2.gz LKDSQKOEMZTBMZ-ZDUSSCGKSA-N 0 2 389.452 3.385 20 0 GGADLN C[C@@H](C[N@@H+](C)Cc1coc(-c2ccc(C(=O)[O-])cc2)n1)NC(=O)OC(C)(C)C ZINC001592586485 978509267 /nfs/dbraw/zinc/50/92/67/978509267.db2.gz LKDSQKOEMZTBMZ-ZDUSSCGKSA-N 0 2 389.452 3.385 20 0 GGADLN C[C@H](CN(Cc1ccccc1)C(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F)C(=O)[O-] ZINC001592602201 978538943 /nfs/dbraw/zinc/53/89/43/978538943.db2.gz KJFSSOBXKUZPIB-UKRRQHHQSA-N 0 2 383.370 3.126 20 0 GGADLN C[C@@H](CN1CCOCC1)[N@H+](Cc1ccccc1)[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC001592623141 978592306 /nfs/dbraw/zinc/59/23/06/978592306.db2.gz DEHGBXUXMOEDDU-HOTGVXAUSA-N 0 2 389.521 3.125 20 0 GGADLN C[C@@H](CN1CCOCC1)[N@@H+](Cc1ccccc1)[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC001592623141 978592312 /nfs/dbraw/zinc/59/23/12/978592312.db2.gz DEHGBXUXMOEDDU-HOTGVXAUSA-N 0 2 389.521 3.125 20 0 GGADLN COC[C@@]1(C(=O)[O-])CCC[N@@H+]1Cc1nc2ccc(Br)cc2s1 ZINC000818629726 978922056 /nfs/dbraw/zinc/92/20/56/978922056.db2.gz KMPJNPXKZABJKD-OAHLLOKOSA-N 0 2 385.283 3.124 20 0 GGADLN COC[C@@]1(C(=O)[O-])CCC[N@H+]1Cc1nc2ccc(Br)cc2s1 ZINC000818629726 978922057 /nfs/dbraw/zinc/92/20/57/978922057.db2.gz KMPJNPXKZABJKD-OAHLLOKOSA-N 0 2 385.283 3.124 20 0 GGADLN C[C@H]1C[N@H+](Cn2nc(-c3cccnc3)n(-c3ccccc3)c2=S)C[C@H]1C(=O)[O-] ZINC000828462863 978983989 /nfs/dbraw/zinc/98/39/89/978983989.db2.gz NFJGHFQCZYEHKK-WMLDXEAASA-N 0 2 395.488 3.075 20 0 GGADLN C[C@H]1C[N@@H+](Cn2nc(-c3cccnc3)n(-c3ccccc3)c2=S)C[C@H]1C(=O)[O-] ZINC000828462863 978983994 /nfs/dbraw/zinc/98/39/94/978983994.db2.gz NFJGHFQCZYEHKK-WMLDXEAASA-N 0 2 395.488 3.075 20 0 GGADLN C[C@@H]1C[N@H+](Cn2nc(COc3ccc(Cl)cc3)oc2=S)C[C@H]1C(=O)[O-] ZINC000828473191 978984589 /nfs/dbraw/zinc/98/45/89/978984589.db2.gz UKASHUOLTLSNAG-ZWNOBZJWSA-N 0 2 383.857 3.048 20 0 GGADLN C[C@@H]1C[N@@H+](Cn2nc(COc3ccc(Cl)cc3)oc2=S)C[C@H]1C(=O)[O-] ZINC000828473191 978984592 /nfs/dbraw/zinc/98/45/92/978984592.db2.gz UKASHUOLTLSNAG-ZWNOBZJWSA-N 0 2 383.857 3.048 20 0 GGADLN CCOc1ccccc1C[N@@H+]1CCN(C(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)[C@H](C)C1 ZINC000842680189 979325473 /nfs/dbraw/zinc/32/54/73/979325473.db2.gz XYMASTLVVCFZMM-KURKYZTESA-N 0 2 388.508 3.009 20 0 GGADLN CCOc1ccccc1C[N@H+]1CCN(C(=O)[C@@H]2CCC[C@H](C(=O)[O-])C2)[C@H](C)C1 ZINC000842680189 979325481 /nfs/dbraw/zinc/32/54/81/979325481.db2.gz XYMASTLVVCFZMM-KURKYZTESA-N 0 2 388.508 3.009 20 0 GGADLN C[C@@H](Cc1ccc(NC(=O)N2CC[NH+]([C@@H](C)c3cccnc3)CC2)cc1)C(=O)[O-] ZINC001592861661 979700874 /nfs/dbraw/zinc/70/08/74/979700874.db2.gz VKRKRMSZGYDWGG-IRXDYDNUSA-N 0 2 396.491 3.256 20 0 GGADLN C[C@H](Cc1ccc(NC(=O)N2CC[NH+]([C@H](C)c3cccnc3)CC2)cc1)C(=O)[O-] ZINC001592861660 979701113 /nfs/dbraw/zinc/70/11/13/979701113.db2.gz VKRKRMSZGYDWGG-IAGOWNOFSA-N 0 2 396.491 3.256 20 0 GGADLN CC[C@@H](C[NH2+]Cc1cc(Br)c(O)c(Br)c1)C(=O)[O-] ZINC001595167635 979723665 /nfs/dbraw/zinc/72/36/65/979723665.db2.gz XZSWTBPJEAURTP-QMMMGPOBSA-N 0 2 381.064 3.118 20 0 GGADLN C[C@@H](Cc1ccc(NC(=O)NCc2cc[nH+]c(N3CCCC3)c2)cc1)C(=O)[O-] ZINC001592874082 979739058 /nfs/dbraw/zinc/73/90/58/979739058.db2.gz XIAGBRUVWFNQHN-HNNXBMFYSA-N 0 2 382.464 3.267 20 0 GGADLN CC[C@@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)NC2CCC(C(=O)[O-])CC2)CC1 ZINC000874405140 980182845 /nfs/dbraw/zinc/18/28/45/980182845.db2.gz OYPGMSZXKPVNKL-KVZIAJEVSA-N 0 2 391.487 3.247 20 0 GGADLN C[C@@H](NC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1)c1ccc(OCC(=O)[O-])cc1 ZINC001593014816 980257231 /nfs/dbraw/zinc/25/72/31/980257231.db2.gz UMSPHXCOEVJDAS-BEFAXECRSA-N 0 2 393.443 3.273 20 0 GGADLN CC[N@@H+](Cc1cc(C)c(OCC(=O)[O-])c(C)c1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000901416274 980261944 /nfs/dbraw/zinc/26/19/44/980261944.db2.gz FNOGRPIHNCKUEP-UHFFFAOYSA-N 0 2 395.459 3.438 20 0 GGADLN CC[N@H+](Cc1cc(C)c(OCC(=O)[O-])c(C)c1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000901416274 980261955 /nfs/dbraw/zinc/26/19/55/980261955.db2.gz FNOGRPIHNCKUEP-UHFFFAOYSA-N 0 2 395.459 3.438 20 0 GGADLN CC[N@@H+](Cc1ccc(O[C@@H](C)C(=O)[O-])cc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000901417543 980264019 /nfs/dbraw/zinc/26/40/19/980264019.db2.gz QTJBELJDSNXSLF-AWEZNQCLSA-N 0 2 381.432 3.209 20 0 GGADLN CC[N@H+](Cc1ccc(O[C@@H](C)C(=O)[O-])cc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000901417543 980264023 /nfs/dbraw/zinc/26/40/23/980264023.db2.gz QTJBELJDSNXSLF-AWEZNQCLSA-N 0 2 381.432 3.209 20 0 GGADLN CCN(CC)C(=O)N1CC[NH+](Cc2ccc(-c3ccc(C(=O)[O-])cc3)o2)CC1 ZINC000901422356 980268205 /nfs/dbraw/zinc/26/82/05/980268205.db2.gz PGONSPWLCUGECI-UHFFFAOYSA-N 0 2 385.464 3.224 20 0 GGADLN C[C@H](NC(=O)C[N@H+](C)Cc1ccc(C(=O)[O-])cn1)c1ccc(Cl)cc1Cl ZINC001593025486 980280560 /nfs/dbraw/zinc/28/05/60/980280560.db2.gz BNVIKLYZCJPUJQ-NSHDSACASA-N 0 2 396.274 3.396 20 0 GGADLN C[C@H](NC(=O)C[N@@H+](C)Cc1ccc(C(=O)[O-])cn1)c1ccc(Cl)cc1Cl ZINC001593025486 980280562 /nfs/dbraw/zinc/28/05/62/980280562.db2.gz BNVIKLYZCJPUJQ-NSHDSACASA-N 0 2 396.274 3.396 20 0 GGADLN C[C@@H](NC(=O)C[NH2+][C@@](C)(C(=O)[O-])c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC001593029615 980300618 /nfs/dbraw/zinc/30/06/18/980300618.db2.gz VKRKTNNEKBCAAL-CWTRNNRKSA-N 0 2 378.831 3.246 20 0 GGADLN C[C@@H](NC(=O)C[NH2+][C@](C)(C(=O)[O-])c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC001593029613 980301092 /nfs/dbraw/zinc/30/10/92/980301092.db2.gz VKRKTNNEKBCAAL-BLVKFPJESA-N 0 2 378.831 3.246 20 0 GGADLN O=C([O-])C[C@H]1C[N@H+](Cc2cn(Cc3ccccc3)nc2-c2cccs2)CCO1 ZINC000901501168 980319784 /nfs/dbraw/zinc/31/97/84/980319784.db2.gz FNWCKDGMSKXINX-SFHVURJKSA-N 0 2 397.500 3.335 20 0 GGADLN O=C([O-])C[C@H]1C[N@@H+](Cc2cn(Cc3ccccc3)nc2-c2cccs2)CCO1 ZINC000901501168 980319788 /nfs/dbraw/zinc/31/97/88/980319788.db2.gz FNWCKDGMSKXINX-SFHVURJKSA-N 0 2 397.500 3.335 20 0 GGADLN COc1cc(C[N@@H+]2CC[C@](F)(C(=O)[O-])C2)cc(OC)c1OCc1ccccc1 ZINC000901515574 980333155 /nfs/dbraw/zinc/33/31/55/980333155.db2.gz MTCREAMDWBQTQI-OAQYLSRUSA-N 0 2 389.423 3.281 20 0 GGADLN COc1cc(C[N@H+]2CC[C@](F)(C(=O)[O-])C2)cc(OC)c1OCc1ccccc1 ZINC000901515574 980333165 /nfs/dbraw/zinc/33/31/65/980333165.db2.gz MTCREAMDWBQTQI-OAQYLSRUSA-N 0 2 389.423 3.281 20 0 GGADLN CC[C@]([NH2+]CC(=O)N(C)Cc1cccs1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595284472 980358225 /nfs/dbraw/zinc/35/82/25/980358225.db2.gz WJYNPKSCLZDABW-GOSISDBHSA-N 0 2 380.897 3.340 20 0 GGADLN C[C@@H](NC(=O)N1CCC(CCCn2cc[nH+]c2)CC1)c1ncc(C(=O)[O-])s1 ZINC001593053659 980361029 /nfs/dbraw/zinc/36/10/29/980361029.db2.gz KKUFNLFTSVQNSB-CYBMUJFWSA-N 0 2 391.497 3.001 20 0 GGADLN CC[C@@]([NH2+]CC(=O)Nc1ccccc1OC)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595286580 980364018 /nfs/dbraw/zinc/36/40/18/980364018.db2.gz GUOCRJLZGAAKFU-IBGZPJMESA-N 0 2 376.840 3.267 20 0 GGADLN C[C@H](Oc1ccc(CN2CC[NH+](Cc3cc4ccccc4[nH]3)CC2)cc1)C(=O)[O-] ZINC000901544583 980373764 /nfs/dbraw/zinc/37/37/64/980373764.db2.gz XCZLOPAYBVRFQU-KRWDZBQOSA-N 0 2 393.487 3.338 20 0 GGADLN C[N@H+](Cc1ccc(OCC(=O)[O-])cc1)Cc1ncc(Br)cc1F ZINC000901832732 980552338 /nfs/dbraw/zinc/55/23/38/980552338.db2.gz PVPOBFFJRXDJNC-UHFFFAOYSA-N 0 2 383.217 3.079 20 0 GGADLN C[N@@H+](Cc1ccc(OCC(=O)[O-])cc1)Cc1ncc(Br)cc1F ZINC000901832732 980552340 /nfs/dbraw/zinc/55/23/40/980552340.db2.gz PVPOBFFJRXDJNC-UHFFFAOYSA-N 0 2 383.217 3.079 20 0 GGADLN O=C([O-])C[C@@H]1COCC[N@@H+]1Cc1ccccc1OCc1ccc(F)cc1F ZINC000902001283 980678206 /nfs/dbraw/zinc/67/82/06/980678206.db2.gz DCDFNNNOAOTNBZ-QGZVFWFLSA-N 0 2 377.387 3.219 20 0 GGADLN O=C([O-])C[C@@H]1COCC[N@H+]1Cc1ccccc1OCc1ccc(F)cc1F ZINC000902001283 980678212 /nfs/dbraw/zinc/67/82/12/980678212.db2.gz DCDFNNNOAOTNBZ-QGZVFWFLSA-N 0 2 377.387 3.219 20 0 GGADLN CCc1cnc(C[N@@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2CC(=O)[O-])s1 ZINC000902001484 980678580 /nfs/dbraw/zinc/67/85/80/980678580.db2.gz SIXVDQDGTBKAOY-HNNXBMFYSA-N 0 2 376.478 3.297 20 0 GGADLN CCc1cnc(C[N@H+]2CCc3cc(OC)c(OC)cc3[C@@H]2CC(=O)[O-])s1 ZINC000902001484 980678585 /nfs/dbraw/zinc/67/85/85/980678585.db2.gz SIXVDQDGTBKAOY-HNNXBMFYSA-N 0 2 376.478 3.297 20 0 GGADLN C[C@H]([NH2+]Cc1cc(C(=O)[O-])co1)c1cc2c(cc1Br)OCCO2 ZINC000902150422 980758321 /nfs/dbraw/zinc/75/83/21/980758321.db2.gz IBXCJDBKXBHJRA-VIFPVBQESA-N 0 2 382.210 3.362 20 0 GGADLN Cc1cccc(NC(=O)N2CC[NH+](Cc3ccc(O[C@H](C)C(=O)[O-])cc3)CC2)c1 ZINC000902207679 980783679 /nfs/dbraw/zinc/78/36/79/980783679.db2.gz GMMCZUHUEQFJDV-QGZVFWFLSA-N 0 2 397.475 3.197 20 0 GGADLN O=C([O-])COc1ccc(C[N@@H+]2CCO[C@@H](c3cccc(OC(F)F)c3)C2)cc1 ZINC000902382366 980864983 /nfs/dbraw/zinc/86/49/83/980864983.db2.gz OQGBDSNASRFHNZ-GOSISDBHSA-N 0 2 393.386 3.325 20 0 GGADLN O=C([O-])COc1ccc(C[N@H+]2CCO[C@@H](c3cccc(OC(F)F)c3)C2)cc1 ZINC000902382366 980864985 /nfs/dbraw/zinc/86/49/85/980864985.db2.gz OQGBDSNASRFHNZ-GOSISDBHSA-N 0 2 393.386 3.325 20 0 GGADLN CCC1CCC([NH2+]Cc2nc(COc3ccc(F)cc3)no2)(C(=O)[O-])CC1 ZINC001595431236 981051949 /nfs/dbraw/zinc/05/19/49/981051949.db2.gz NMUNUNGCDMNZGP-UHFFFAOYSA-N 0 2 377.416 3.301 20 0 GGADLN O=C([O-])c1ccc2c(c1)OCC[N@@H+](CCOc1ccccc1Br)C2 ZINC000903958936 981076045 /nfs/dbraw/zinc/07/60/45/981076045.db2.gz RJKMFFRXBOCSRD-UHFFFAOYSA-N 0 2 392.249 3.421 20 0 GGADLN O=C([O-])c1ccc2c(c1)OCC[N@H+](CCOc1ccccc1Br)C2 ZINC000903958936 981076048 /nfs/dbraw/zinc/07/60/48/981076048.db2.gz RJKMFFRXBOCSRD-UHFFFAOYSA-N 0 2 392.249 3.421 20 0 GGADLN O=C([O-])c1cnc([C@H]2CC[N@H+](Cc3c(F)cncc3Br)C2)s1 ZINC000905750396 981137714 /nfs/dbraw/zinc/13/77/14/981137714.db2.gz QZQKNNBMGAKGKK-QMMMGPOBSA-N 0 2 386.246 3.127 20 0 GGADLN O=C([O-])c1cnc([C@H]2CC[N@@H+](Cc3c(F)cncc3Br)C2)s1 ZINC000905750396 981137717 /nfs/dbraw/zinc/13/77/17/981137717.db2.gz QZQKNNBMGAKGKK-QMMMGPOBSA-N 0 2 386.246 3.127 20 0 GGADLN O=C([O-])c1cc2n(n1)CCC[C@H]2[NH2+]Cc1nc2cc(Br)ccc2o1 ZINC000905796746 981155141 /nfs/dbraw/zinc/15/51/41/981155141.db2.gz UUQRZOBYQOTRAS-SNVBAGLBSA-N 0 2 391.225 3.110 20 0 GGADLN CC[C@@H]1C[N@H+](CC(=O)Nc2sc3c(c2C(=O)[O-])CC[C@@H](C)C3)CCS1 ZINC001595483759 981213885 /nfs/dbraw/zinc/21/38/85/981213885.db2.gz QNNDNHZHQUBGSD-VXGBXAGGSA-N 0 2 382.551 3.337 20 0 GGADLN CC[C@@H]1C[N@@H+](CC(=O)Nc2sc3c(c2C(=O)[O-])CC[C@@H](C)C3)CCS1 ZINC001595483759 981213886 /nfs/dbraw/zinc/21/38/86/981213886.db2.gz QNNDNHZHQUBGSD-VXGBXAGGSA-N 0 2 382.551 3.337 20 0 GGADLN CC[C@@H]1C[N@H+](CC(=O)Nc2sc3c(c2C(=O)[O-])CC[C@@H](C)C3)CCCO1 ZINC001595484283 981218311 /nfs/dbraw/zinc/21/83/11/981218311.db2.gz WPCWQWVDZWESLI-CHWSQXEVSA-N 0 2 380.510 3.011 20 0 GGADLN CC[C@@H]1C[N@@H+](CC(=O)Nc2sc3c(c2C(=O)[O-])CC[C@@H](C)C3)CCCO1 ZINC001595484283 981218317 /nfs/dbraw/zinc/21/83/17/981218317.db2.gz WPCWQWVDZWESLI-CHWSQXEVSA-N 0 2 380.510 3.011 20 0 GGADLN O=C([O-])[C@]1(C(=O)N2CC[NH+](C/C=C/c3ccccc3)CC2)C[C@H]1c1ccccc1 ZINC000907800533 981223127 /nfs/dbraw/zinc/22/31/27/981223127.db2.gz REQCYTICNGUHKO-XPLMIQBISA-N 0 2 390.483 3.103 20 0 GGADLN C[C@H](c1ccsc1)[NH+]1CCN(C(=O)[C@]2(C(=O)[O-])C[C@@H]2c2ccccc2)CC1 ZINC000907835582 981228636 /nfs/dbraw/zinc/22/86/36/981228636.db2.gz MDTANGDEVRVCFT-FPDPHYFHSA-N 0 2 384.501 3.212 20 0 GGADLN CC[C@@H]1C[N@H+](Cc2csc(-c3ccc(C(=O)[O-])cc3)n2)C[C@]2(CCOC2)O1 ZINC001595491530 981250310 /nfs/dbraw/zinc/25/03/10/981250310.db2.gz YLIXBPYTKDYCSS-XLIONFOSSA-N 0 2 388.489 3.278 20 0 GGADLN CC[C@@H]1C[N@@H+](Cc2csc(-c3ccc(C(=O)[O-])cc3)n2)C[C@]2(CCOC2)O1 ZINC001595491530 981250315 /nfs/dbraw/zinc/25/03/15/981250315.db2.gz YLIXBPYTKDYCSS-XLIONFOSSA-N 0 2 388.489 3.278 20 0 GGADLN O=C([O-])c1ccc2c(c1)N(C(=O)[C@H](c1ccccc1)[NH+]1CCSCC1)CC2 ZINC000908066108 981259559 /nfs/dbraw/zinc/25/95/59/981259559.db2.gz WTUGLEFLNANFJS-IBGZPJMESA-N 0 2 382.485 3.064 20 0 GGADLN O=C([O-])c1ccc2c(c1)N(C(=O)[C@@H](c1ccccc1)[NH+]1CCSCC1)CC2 ZINC000908066110 981259750 /nfs/dbraw/zinc/25/97/50/981259750.db2.gz WTUGLEFLNANFJS-LJQANCHMSA-N 0 2 382.485 3.064 20 0 GGADLN O=C([O-])C[C@H](NC(=O)Cc1cn2c([nH+]1)CCCC2)c1ccc(C(F)(F)F)cc1 ZINC000908416369 981313717 /nfs/dbraw/zinc/31/37/17/981313717.db2.gz VWMFADRZDHYFLE-HNNXBMFYSA-N 0 2 395.381 3.113 20 0 GGADLN C[C@@H](CN(Cc1ccccc1)C(=O)Cc1c[nH+]cn1Cc1ccccc1)C(=O)[O-] ZINC000908839188 981373504 /nfs/dbraw/zinc/37/35/04/981373504.db2.gz BYUXNBXQBVIMQX-SFHVURJKSA-N 0 2 391.471 3.223 20 0 GGADLN C[N@@H+]1CCC[C@H]1c1cc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(C(C)(C)C)cc2)[nH]n1 ZINC000909007474 981402502 /nfs/dbraw/zinc/40/25/02/981402502.db2.gz XFXIMQNQZHIEIF-LPHOPBHVSA-N 0 2 398.507 3.420 20 0 GGADLN C[N@H+]1CCC[C@H]1c1cc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(C(C)(C)C)cc2)[nH]n1 ZINC000909007474 981402506 /nfs/dbraw/zinc/40/25/06/981402506.db2.gz XFXIMQNQZHIEIF-LPHOPBHVSA-N 0 2 398.507 3.420 20 0 GGADLN CCC(CC)[C@@H](C(=O)Nc1cccc(CSCC(=O)[O-])c1)[NH+]1CCOCC1 ZINC000909229846 981438757 /nfs/dbraw/zinc/43/87/57/981438757.db2.gz MVSCUSAJNFQVRK-IBGZPJMESA-N 0 2 394.537 3.080 20 0 GGADLN COc1cc(NC(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)ccc1C(=O)[O-] ZINC000909731065 981583902 /nfs/dbraw/zinc/58/39/02/981583902.db2.gz YVHMVENNIUZHCP-SFHVURJKSA-N 0 2 386.473 3.122 20 0 GGADLN C[C@@H](C(=O)[O-])c1ccc(NC(=O)[C@@H](C)[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000909840278 981660823 /nfs/dbraw/zinc/66/08/23/981660823.db2.gz LJIJEFPMCYYAJW-HZPDHXFCSA-N 0 2 399.466 3.163 20 0 GGADLN CCC[C@]1(CO)CC[N@H+](CC(=O)Nc2c(Cl)cc(Cl)cc2C(=O)[O-])C1 ZINC001595618110 981661937 /nfs/dbraw/zinc/66/19/37/981661937.db2.gz LNHXXHDAUMDQNE-KRWDZBQOSA-N 0 2 389.279 3.115 20 0 GGADLN CCC[C@]1(CO)CC[N@@H+](CC(=O)Nc2c(Cl)cc(Cl)cc2C(=O)[O-])C1 ZINC001595618110 981661939 /nfs/dbraw/zinc/66/19/39/981661939.db2.gz LNHXXHDAUMDQNE-KRWDZBQOSA-N 0 2 389.279 3.115 20 0 GGADLN CC[N@H+](CC(=O)NCc1ccc(C(=O)[O-])cc1F)Cc1ccccc1Cl ZINC000909987350 981730870 /nfs/dbraw/zinc/73/08/70/981730870.db2.gz RAHCEZDRRUWBPA-UHFFFAOYSA-N 0 2 378.831 3.316 20 0 GGADLN CC[N@@H+](CC(=O)NCc1ccc(C(=O)[O-])cc1F)Cc1ccccc1Cl ZINC000909987350 981730880 /nfs/dbraw/zinc/73/08/80/981730880.db2.gz RAHCEZDRRUWBPA-UHFFFAOYSA-N 0 2 378.831 3.316 20 0 GGADLN O=C([O-])c1cnc(C2CCN(C(=O)c3ccc(Cn4cc[nH+]c4)cc3)CC2)s1 ZINC000910214710 981788477 /nfs/dbraw/zinc/78/84/77/981788477.db2.gz AGJLAKDZHYDYSM-UHFFFAOYSA-N 0 2 396.472 3.106 20 0 GGADLN Cc1[nH+]c(NC[C@H](c2cccc(Cl)c2)N2CCOCC2)ccc1C(=O)[O-] ZINC000910288288 981843711 /nfs/dbraw/zinc/84/37/11/981843711.db2.gz NZSPLDGBOFEYKV-QGZVFWFLSA-N 0 2 375.856 3.227 20 0 GGADLN CC[N@H+](CC(=O)N1CCc2cc(C(=O)[O-])ccc2C1)Cc1ccccc1Cl ZINC000910502341 981968295 /nfs/dbraw/zinc/96/82/95/981968295.db2.gz FBNWGBCFGMKUDU-UHFFFAOYSA-N 0 2 386.879 3.445 20 0 GGADLN CC[N@@H+](CC(=O)N1CCc2cc(C(=O)[O-])ccc2C1)Cc1ccccc1Cl ZINC000910502341 981968299 /nfs/dbraw/zinc/96/82/99/981968299.db2.gz FBNWGBCFGMKUDU-UHFFFAOYSA-N 0 2 386.879 3.445 20 0 GGADLN COc1cccc([C@H](C)[NH+]2CCN(C(=O)c3cc(C)cc(C(=O)[O-])c3)CC2)c1 ZINC000910683394 982060454 /nfs/dbraw/zinc/06/04/54/982060454.db2.gz GNVCORHYOCDZPD-INIZCTEOSA-N 0 2 382.460 3.221 20 0 GGADLN Cc1sc([C@@H]2CCCN2C(=O)c2cccc(Cn3cc[nH+]c3)c2)nc1C(=O)[O-] ZINC000910721770 982084131 /nfs/dbraw/zinc/08/41/31/982084131.db2.gz MCTIGHNNGJYMOZ-INIZCTEOSA-N 0 2 396.472 3.372 20 0 GGADLN CCCCCC(=O)NC1CC[NH+](CC(=O)c2c[nH]c3ccc(C(=O)[O-])cc23)CC1 ZINC001595665006 982088745 /nfs/dbraw/zinc/08/87/45/982088745.db2.gz HVCNHZCSJOCFNG-UHFFFAOYSA-N 0 2 399.491 3.210 20 0 GGADLN O=C([O-])c1nc(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccc(F)cc2)sc1C1CC1 ZINC000910734514 982096359 /nfs/dbraw/zinc/09/63/59/982096359.db2.gz QEFWUIYQBWNDSF-AWEZNQCLSA-N 0 2 389.452 3.461 20 0 GGADLN O=C([O-])c1nc(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccc(F)cc2)sc1C1CC1 ZINC000910734514 982096371 /nfs/dbraw/zinc/09/63/71/982096371.db2.gz QEFWUIYQBWNDSF-AWEZNQCLSA-N 0 2 389.452 3.461 20 0 GGADLN CCOc1ccc(C[NH+]2CCN(C(=O)CCc3ccccc3C(=O)[O-])CC2)cc1 ZINC000911132086 982252366 /nfs/dbraw/zinc/25/23/66/982252366.db2.gz HIPSHPCQRFURHK-UHFFFAOYSA-N 0 2 396.487 3.061 20 0 GGADLN C[C@@H](Sc1ccccc1C(=O)NCc1cc[nH+]c(N2CCCC2)c1)C(=O)[O-] ZINC000911152242 982262105 /nfs/dbraw/zinc/26/21/05/982262105.db2.gz MEEMTGUQKQHRSM-CQSZACIVSA-N 0 2 385.489 3.177 20 0 GGADLN O=C([O-])c1cccc(C(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)n1 ZINC000911192648 982278320 /nfs/dbraw/zinc/27/83/20/982278320.db2.gz XLMJERDPLSZDTE-INIZCTEOSA-N 0 2 391.830 3.139 20 0 GGADLN C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)c2cccc(CC(=O)[O-])c2)C[C@H](C)O1 ZINC000911204609 982283066 /nfs/dbraw/zinc/28/30/66/982283066.db2.gz AXSCJLPYASRLMR-IYBDPMFKSA-N 0 2 382.460 3.175 20 0 GGADLN C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)c2cccc(CC(=O)[O-])c2)C[C@H](C)O1 ZINC000911204609 982283072 /nfs/dbraw/zinc/28/30/72/982283072.db2.gz AXSCJLPYASRLMR-IYBDPMFKSA-N 0 2 382.460 3.175 20 0 GGADLN O=C([O-])CC[C@@H]1CC[C@H](C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)O1 ZINC000911233359 982303604 /nfs/dbraw/zinc/30/36/04/982303604.db2.gz LHNUFBBWCVXAQN-ZWKOTPCHSA-N 0 2 383.448 3.237 20 0 GGADLN O=C([O-])[C@@H]1CO[C@H](CCC(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)C1 ZINC000911232949 982303851 /nfs/dbraw/zinc/30/38/51/982303851.db2.gz CUINYIFDXXPATI-MAUKXSAKSA-N 0 2 383.448 3.095 20 0 GGADLN CN1CC[NH+](Cc2cccc(NC(=O)c3cc(C(=O)[O-])ccc3Cl)c2)CC1 ZINC000911261464 982320606 /nfs/dbraw/zinc/32/06/06/982320606.db2.gz FOTKKDLTEMGRNZ-UHFFFAOYSA-N 0 2 387.867 3.038 20 0 GGADLN C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)C23CCC(C(=O)[O-])(CC2)CC3)CC1 ZINC000911509404 982464439 /nfs/dbraw/zinc/46/44/39/982464439.db2.gz CLLVIFQRELOMJD-VMEOHVCESA-N 0 2 376.522 3.379 20 0 GGADLN CCCCNc1cc(N2CCC(Nc3cccc(C(=O)[O-])c3)CC2)nc(N)[nH+]1 ZINC001595763538 982472798 /nfs/dbraw/zinc/47/27/98/982472798.db2.gz OMPALISLSJNBIP-UHFFFAOYSA-N 0 2 384.484 3.050 20 0 GGADLN CCCCNc1cc(N2CCC(Nc3cccc(C(=O)[O-])c3)CC2)[nH+]c(N)n1 ZINC001595763538 982472801 /nfs/dbraw/zinc/47/28/01/982472801.db2.gz OMPALISLSJNBIP-UHFFFAOYSA-N 0 2 384.484 3.050 20 0 GGADLN CCOc1ccccc1C[N@@H+]1CCN(C(=O)Cc2ccc(C(=O)[O-])cc2)[C@H](C)C1 ZINC000911573488 982511376 /nfs/dbraw/zinc/51/13/76/982511376.db2.gz KGVRONCPXKQEEA-QGZVFWFLSA-N 0 2 396.487 3.059 20 0 GGADLN CCOc1ccccc1C[N@H+]1CCN(C(=O)Cc2ccc(C(=O)[O-])cc2)[C@H](C)C1 ZINC000911573488 982511388 /nfs/dbraw/zinc/51/13/88/982511388.db2.gz KGVRONCPXKQEEA-QGZVFWFLSA-N 0 2 396.487 3.059 20 0 GGADLN CCOc1ccccc1C[N@@H+]1CCN(C(=O)c2oc(C(=O)[O-])cc2C)[C@@H](C)C1 ZINC000911573494 982511455 /nfs/dbraw/zinc/51/14/55/982511455.db2.gz KJJUOUOKLZJHNH-HNNXBMFYSA-N 0 2 386.448 3.031 20 0 GGADLN CCOc1ccccc1C[N@H+]1CCN(C(=O)c2oc(C(=O)[O-])cc2C)[C@@H](C)C1 ZINC000911573494 982511463 /nfs/dbraw/zinc/51/14/63/982511463.db2.gz KJJUOUOKLZJHNH-HNNXBMFYSA-N 0 2 386.448 3.031 20 0 GGADLN CCOc1ccccc1C[N@@H+]1CCN(C(=O)c2cccc(CC(=O)[O-])c2)[C@@H](C)C1 ZINC000911574788 982512579 /nfs/dbraw/zinc/51/25/79/982512579.db2.gz RLAFNAQVUPABGN-KRWDZBQOSA-N 0 2 396.487 3.059 20 0 GGADLN CCOc1ccccc1C[N@H+]1CCN(C(=O)c2cccc(CC(=O)[O-])c2)[C@@H](C)C1 ZINC000911574788 982512586 /nfs/dbraw/zinc/51/25/86/982512586.db2.gz RLAFNAQVUPABGN-KRWDZBQOSA-N 0 2 396.487 3.059 20 0 GGADLN CC[C@@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccc(C(=O)[O-])o1 ZINC001594931572 982567620 /nfs/dbraw/zinc/56/76/20/982567620.db2.gz RVYPOADFKNNEGK-RHSMWYFYSA-N 0 2 385.464 3.054 20 0 GGADLN CC[C@@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccc(C(=O)[O-])o1 ZINC001594931572 982567635 /nfs/dbraw/zinc/56/76/35/982567635.db2.gz RVYPOADFKNNEGK-RHSMWYFYSA-N 0 2 385.464 3.054 20 0 GGADLN CC[C@@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cc(C(=O)[O-])co1 ZINC001594931919 982571764 /nfs/dbraw/zinc/57/17/64/982571764.db2.gz ZIFAUBVJPQTYIC-RDTXWAMCSA-N 0 2 385.464 3.054 20 0 GGADLN CC[C@@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cc(C(=O)[O-])co1 ZINC001594931919 982571772 /nfs/dbraw/zinc/57/17/72/982571772.db2.gz ZIFAUBVJPQTYIC-RDTXWAMCSA-N 0 2 385.464 3.054 20 0 GGADLN O=C([O-])c1ccoc1CSc1ccccc1C(=O)N[C@H]1CCn2c[nH+]cc2C1 ZINC000911693297 982603004 /nfs/dbraw/zinc/60/30/04/982603004.db2.gz VDSFJQWCSTYWOZ-ZDUSSCGKSA-N 0 2 397.456 3.211 20 0 GGADLN O=C([O-])[C@@H]1CO[C@H](CCC(=O)Nc2ccccc2-c2[nH+]cc3n2CCCC3)C1 ZINC000911704490 982605744 /nfs/dbraw/zinc/60/57/44/982605744.db2.gz VQLDKZNOUXFMBC-GOEBONIOSA-N 0 2 383.448 3.095 20 0 GGADLN O=C([O-])c1ccccc1CCC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000911708256 982606369 /nfs/dbraw/zinc/60/63/69/982606369.db2.gz SCWZEGUSOCXAHC-UHFFFAOYSA-N 0 2 381.476 3.256 20 0 GGADLN CCCCn1c(SCc2ncccc2C(=O)[O-])nnc1[C@H](CC)[NH+](C)C ZINC001595802120 982616975 /nfs/dbraw/zinc/61/69/75/982616975.db2.gz DKWQKKAKOMDNCF-HNNXBMFYSA-N 0 2 377.514 3.476 20 0 GGADLN CCCN(CC(F)(F)F)C(=O)C[NH2+][C@@](CC)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595862876 982802086 /nfs/dbraw/zinc/80/20/86/982802086.db2.gz OFMQMJADYQPXMS-MRXNPFEDSA-N 0 2 394.821 3.420 20 0 GGADLN O=C([O-])CCC1(NC(=O)c2ccc(NCCn3cc[nH+]c3)cc2)CCCCC1 ZINC000923218424 982850320 /nfs/dbraw/zinc/85/03/20/982850320.db2.gz RKDBZJTUOFPCAV-UHFFFAOYSA-N 0 2 384.480 3.293 20 0 GGADLN CC(C)(C(=O)[O-])c1ccc(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2cccnc2)cc1 ZINC001119641229 983010143 /nfs/dbraw/zinc/01/01/43/983010143.db2.gz UJRIRHNLORTUHU-IBGZPJMESA-N 0 2 381.476 3.437 20 0 GGADLN CC(C)(C(=O)[O-])c1ccc(NC(=O)[C@@H]2CCCC[N@H+]2Cc2cccnc2)cc1 ZINC001119641229 983010153 /nfs/dbraw/zinc/01/01/53/983010153.db2.gz UJRIRHNLORTUHU-IBGZPJMESA-N 0 2 381.476 3.437 20 0 GGADLN CCCn1c[nH+]cc1CN1Cc2cccc(Br)c2C[C@H]1C(=O)[O-] ZINC001596118058 983450802 /nfs/dbraw/zinc/45/08/02/983450802.db2.gz HZOBDHZYMZNBHL-INIZCTEOSA-N 0 2 378.270 3.067 20 0 GGADLN CCN(C(=O)C[NH2+][C@H](C(=O)[O-])c1cccc(OC)c1)c1nc2ccccc2s1 ZINC001596143188 983496619 /nfs/dbraw/zinc/49/66/19/983496619.db2.gz LPKQURZBORAYPE-SFHVURJKSA-N 0 2 399.472 3.073 20 0 GGADLN CCN(C(C)=O)c1nc(C[NH2+][C@@](C)(CC(=O)[O-])c2cccc(F)c2)cs1 ZINC001596178196 983547871 /nfs/dbraw/zinc/54/78/71/983547871.db2.gz OTOBTCUAJADKMS-SFHVURJKSA-N 0 2 379.457 3.135 20 0 GGADLN CC[N@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1ccc(C(=O)[O-])n1C ZINC001596209779 983601444 /nfs/dbraw/zinc/60/14/44/983601444.db2.gz SEKWCTUEXDTMGK-UHFFFAOYSA-N 0 2 383.370 3.203 20 0 GGADLN CC[N@@H+](CC(=O)Nc1ccccc1C(F)(F)F)Cc1ccc(C(=O)[O-])n1C ZINC001596209779 983601447 /nfs/dbraw/zinc/60/14/47/983601447.db2.gz SEKWCTUEXDTMGK-UHFFFAOYSA-N 0 2 383.370 3.203 20 0 GGADLN CC[N@H+](CC(=O)Nc1ccc2c(c1)OCCO2)[C@H](C)c1cc(C)c(C(=O)[O-])o1 ZINC001596209815 983601853 /nfs/dbraw/zinc/60/18/53/983601853.db2.gz VFLPSWOEONQXDB-CYBMUJFWSA-N 0 2 388.420 3.079 20 0 GGADLN CC[N@@H+](CC(=O)Nc1ccc2c(c1)OCCO2)[C@H](C)c1cc(C)c(C(=O)[O-])o1 ZINC001596209815 983601855 /nfs/dbraw/zinc/60/18/55/983601855.db2.gz VFLPSWOEONQXDB-CYBMUJFWSA-N 0 2 388.420 3.079 20 0 GGADLN CC[N@@H+]1CC[C@H](NC(=O)CC(C)(C)CC(=O)[O-])[C@H]1c1cc(F)c(F)c(F)c1 ZINC001596409614 983994886 /nfs/dbraw/zinc/99/48/86/983994886.db2.gz PUYPIQLFTCBWDN-KBXCAEBGSA-N 0 2 386.414 3.246 20 0 GGADLN CC[N@H+]1CC[C@H](NC(=O)CC(C)(C)CC(=O)[O-])[C@H]1c1cc(F)c(F)c(F)c1 ZINC001596409614 983994891 /nfs/dbraw/zinc/99/48/91/983994891.db2.gz PUYPIQLFTCBWDN-KBXCAEBGSA-N 0 2 386.414 3.246 20 0 GGADLN CC[N@@H+]1CC[C@@H](NC(=O)CC(C)(C)CC(=O)[O-])[C@H]1c1cc(F)c(F)c(F)c1 ZINC001596409621 983995040 /nfs/dbraw/zinc/99/50/40/983995040.db2.gz PUYPIQLFTCBWDN-RDTXWAMCSA-N 0 2 386.414 3.246 20 0 GGADLN CC[N@H+]1CC[C@@H](NC(=O)CC(C)(C)CC(=O)[O-])[C@H]1c1cc(F)c(F)c(F)c1 ZINC001596409621 983995045 /nfs/dbraw/zinc/99/50/45/983995045.db2.gz PUYPIQLFTCBWDN-RDTXWAMCSA-N 0 2 386.414 3.246 20 0 GGADLN CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(C(=O)[O-])n2C)[C@H]1c1ccc(Cl)c(F)c1 ZINC001596410827 984004191 /nfs/dbraw/zinc/00/41/91/984004191.db2.gz VBTXKOMBKZWVGT-RHSMWYFYSA-N 0 2 393.846 3.081 20 0 GGADLN CC[N@H+]1CC[C@@H](NC(=O)c2ccc(C(=O)[O-])n2C)[C@H]1c1ccc(Cl)c(F)c1 ZINC001596410827 984004203 /nfs/dbraw/zinc/00/42/03/984004203.db2.gz VBTXKOMBKZWVGT-RHSMWYFYSA-N 0 2 393.846 3.081 20 0 GGADLN CCNC(=O)OC[C@H]1CCCC[N@@H+]1Cc1coc(-c2ccc(C(=O)[O-])cc2)n1 ZINC001596478022 984204791 /nfs/dbraw/zinc/20/47/91/984204791.db2.gz MEYQIIGOIBYWPC-QGZVFWFLSA-N 0 2 387.436 3.140 20 0 GGADLN CCNC(=O)OC[C@H]1CCCC[N@H+]1Cc1coc(-c2ccc(C(=O)[O-])cc2)n1 ZINC001596478022 984204798 /nfs/dbraw/zinc/20/47/98/984204798.db2.gz MEYQIIGOIBYWPC-QGZVFWFLSA-N 0 2 387.436 3.140 20 0 GGADLN CCNc1cc(CNC(=O)N2CCC[C@@H]2c2nc(C(=O)[O-])c(C)s2)cc[nH+]1 ZINC001596499583 984251026 /nfs/dbraw/zinc/25/10/26/984251026.db2.gz OYSJSCFIIQAWRQ-CYBMUJFWSA-N 0 2 389.481 3.023 20 0 GGADLN CCOC(=O)[C@H](c1ccc(Cl)cc1)[N@H+](CC)C[C@@H]1CC(C(=O)[O-])=C(C)O1 ZINC001596542409 984387477 /nfs/dbraw/zinc/38/74/77/984387477.db2.gz BITNJGPJGFIVKY-RDJZCZTQSA-N 0 2 381.856 3.414 20 0 GGADLN CCOC(=O)[C@H](c1ccc(Cl)cc1)[N@@H+](CC)C[C@@H]1CC(C(=O)[O-])=C(C)O1 ZINC001596542409 984387484 /nfs/dbraw/zinc/38/74/84/984387484.db2.gz BITNJGPJGFIVKY-RDJZCZTQSA-N 0 2 381.856 3.414 20 0 GGADLN C/C(=C\C(=O)Nc1ccc(Cl)cc1SCCC(=O)[O-])C[NH+]1CCOCC1 ZINC001588944136 984645007 /nfs/dbraw/zinc/64/50/07/984645007.db2.gz QDRBXCYHXTZXNW-JLHYYAGUSA-N 0 2 398.912 3.124 20 0 GGADLN CC(=O)N(c1nc(C[N@@H+]2CCC[C@@H]3C[C@@]32C(=O)[O-])cs1)c1ccc(F)cc1 ZINC001589052273 985146587 /nfs/dbraw/zinc/14/65/87/985146587.db2.gz XILLUVNTIAVGCT-YJYMSZOUSA-N 0 2 389.452 3.406 20 0 GGADLN CC(=O)N(c1nc(C[N@H+]2CCC[C@@H]3C[C@@]32C(=O)[O-])cs1)c1ccc(F)cc1 ZINC001589052273 985146591 /nfs/dbraw/zinc/14/65/91/985146591.db2.gz XILLUVNTIAVGCT-YJYMSZOUSA-N 0 2 389.452 3.406 20 0 GGADLN Cc1[nH]c(C(=O)[C@H](C)[N@@H+]2CC[C@H](C(=O)OC(C)(C)C)[C@H](C)C2)c(C)c1C(=O)[O-] ZINC001599943313 985482771 /nfs/dbraw/zinc/48/27/71/985482771.db2.gz AMWLJOSKVSIJAR-UGFHNGPFSA-N 0 2 392.496 3.201 20 0 GGADLN Cc1[nH]c(C(=O)[C@H](C)[N@H+]2CC[C@H](C(=O)OC(C)(C)C)[C@H](C)C2)c(C)c1C(=O)[O-] ZINC001599943313 985482776 /nfs/dbraw/zinc/48/27/76/985482776.db2.gz AMWLJOSKVSIJAR-UGFHNGPFSA-N 0 2 392.496 3.201 20 0 GGADLN Cc1[nH]c(C(=O)C[N@@H+](Cc2cccs2)C[C@@H]2CCCO2)c(C)c1C(=O)[O-] ZINC001599944438 985500517 /nfs/dbraw/zinc/50/05/17/985500517.db2.gz MGGMXRNFROJJMA-AWEZNQCLSA-N 0 2 376.478 3.255 20 0 GGADLN Cc1[nH]c(C(=O)C[N@H+](Cc2cccs2)C[C@@H]2CCCO2)c(C)c1C(=O)[O-] ZINC001599944438 985500523 /nfs/dbraw/zinc/50/05/23/985500523.db2.gz MGGMXRNFROJJMA-AWEZNQCLSA-N 0 2 376.478 3.255 20 0 GGADLN Cc1[nH]c(C(=O)[C@@H](C)[NH+]2CCC(C(=O)c3ccccc3)CC2)c(C)c1C(=O)[O-] ZINC001599944975 985510104 /nfs/dbraw/zinc/51/01/04/985510104.db2.gz LWPKBMWZQOUBCX-OAHLLOKOSA-N 0 2 382.460 3.496 20 0 GGADLN Cc1[nH]c(C(=O)[C@H](C)[N@@H+]2CCCN(c3ccccc3F)CC2)c(C)c1C(=O)[O-] ZINC001599946835 985540590 /nfs/dbraw/zinc/54/05/90/985540590.db2.gz XCXGPCSBVKQHSZ-HNNXBMFYSA-N 0 2 387.455 3.252 20 0 GGADLN Cc1[nH]c(C(=O)[C@H](C)[N@H+]2CCCN(c3ccccc3F)CC2)c(C)c1C(=O)[O-] ZINC001599946835 985540595 /nfs/dbraw/zinc/54/05/95/985540595.db2.gz XCXGPCSBVKQHSZ-HNNXBMFYSA-N 0 2 387.455 3.252 20 0 GGADLN Cc1[nH]c(C(=O)[C@@H](C)[N@@H+]2CC[C@@H](Oc3ccc(C4CC4)cn3)C2)c(C)c1C(=O)[O-] ZINC001599946888 985541939 /nfs/dbraw/zinc/54/19/39/985541939.db2.gz XTGIDJLPQBSKMV-RHSMWYFYSA-N 0 2 397.475 3.327 20 0 GGADLN Cc1[nH]c(C(=O)[C@@H](C)[N@H+]2CC[C@@H](Oc3ccc(C4CC4)cn3)C2)c(C)c1C(=O)[O-] ZINC001599946888 985541947 /nfs/dbraw/zinc/54/19/47/985541947.db2.gz XTGIDJLPQBSKMV-RHSMWYFYSA-N 0 2 397.475 3.327 20 0 GGADLN Cc1[nH]c(C(=O)[C@H](C)[N@@H+]2CC[C@H](Oc3ccc(C4CC4)cn3)C2)c(C)c1C(=O)[O-] ZINC001599946890 985542772 /nfs/dbraw/zinc/54/27/72/985542772.db2.gz XTGIDJLPQBSKMV-YOEHRIQHSA-N 0 2 397.475 3.327 20 0 GGADLN Cc1[nH]c(C(=O)[C@H](C)[N@H+]2CC[C@H](Oc3ccc(C4CC4)cn3)C2)c(C)c1C(=O)[O-] ZINC001599946890 985542776 /nfs/dbraw/zinc/54/27/76/985542776.db2.gz XTGIDJLPQBSKMV-YOEHRIQHSA-N 0 2 397.475 3.327 20 0 GGADLN Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001599955793 985686765 /nfs/dbraw/zinc/68/67/65/985686765.db2.gz PPQHUPWZHAENOC-WMLDXEAASA-N 0 2 393.846 3.297 20 0 GGADLN Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001599955793 985686772 /nfs/dbraw/zinc/68/67/72/985686772.db2.gz PPQHUPWZHAENOC-WMLDXEAASA-N 0 2 393.846 3.297 20 0 GGADLN Cc1[nH]c(C(=O)[O-])cc1C(=O)C[N@@H+]1CCCN(c2ccccc2Cl)CC1 ZINC001599958796 985738642 /nfs/dbraw/zinc/73/86/42/985738642.db2.gz JFYYJXHSJBCGFQ-UHFFFAOYSA-N 0 2 375.856 3.070 20 0 GGADLN Cc1[nH]c(C(=O)[O-])cc1C(=O)C[N@H+]1CCCN(c2ccccc2Cl)CC1 ZINC001599958796 985738651 /nfs/dbraw/zinc/73/86/51/985738651.db2.gz JFYYJXHSJBCGFQ-UHFFFAOYSA-N 0 2 375.856 3.070 20 0 GGADLN Cc1[nH]c(C[NH+]2CCN(Cc3csc(-c4ccccc4)n3)CC2)cc1C(=O)[O-] ZINC001599962321 985810067 /nfs/dbraw/zinc/81/00/67/985810067.db2.gz GQPQGWCYMNDDBT-UHFFFAOYSA-N 0 2 396.516 3.463 20 0 GGADLN CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[N@H+](C)Cc2ccc(OCC(=O)[O-])cc2)c1C ZINC001589249210 985869096 /nfs/dbraw/zinc/86/90/96/985869096.db2.gz MMABGMURNMHZRE-AWEZNQCLSA-N 0 2 386.448 3.001 20 0 GGADLN CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)[N@@H+](C)Cc2ccc(OCC(=O)[O-])cc2)c1C ZINC001589249210 985869112 /nfs/dbraw/zinc/86/91/12/985869112.db2.gz MMABGMURNMHZRE-AWEZNQCLSA-N 0 2 386.448 3.001 20 0 GGADLN Cc1c(Br)c(C(=O)[O-])nn1C[N@@H+]1CC[C@@H](COc2ccccc2)C1 ZINC001599970105 985991437 /nfs/dbraw/zinc/99/14/37/985991437.db2.gz MMLJDLONLAWTAW-CYBMUJFWSA-N 0 2 394.269 3.011 20 0 GGADLN Cc1c(Br)c(C(=O)[O-])nn1C[N@H+]1CC[C@@H](COc2ccccc2)C1 ZINC001599970105 985991455 /nfs/dbraw/zinc/99/14/55/985991455.db2.gz MMLJDLONLAWTAW-CYBMUJFWSA-N 0 2 394.269 3.011 20 0 GGADLN Cc1c(Br)c(C(=O)[O-])nn1C[N@@H+]1CC[C@H](COc2ccccc2)C1 ZINC001599970106 985992478 /nfs/dbraw/zinc/99/24/78/985992478.db2.gz MMLJDLONLAWTAW-ZDUSSCGKSA-N 0 2 394.269 3.011 20 0 GGADLN Cc1c(Br)c(C(=O)[O-])nn1C[N@H+]1CC[C@H](COc2ccccc2)C1 ZINC001599970106 985992487 /nfs/dbraw/zinc/99/24/87/985992487.db2.gz MMLJDLONLAWTAW-ZDUSSCGKSA-N 0 2 394.269 3.011 20 0 GGADLN CCOCc1ccccc1CNC(=O)C[N@@H+]1[C@H](C(=O)[O-])CC[C@H]1c1ccccc1 ZINC001596950364 986110865 /nfs/dbraw/zinc/11/08/65/986110865.db2.gz YAIGSIDHEAFDKX-SFTDATJTSA-N 0 2 396.487 3.130 20 0 GGADLN CCOCc1ccccc1CNC(=O)C[N@H+]1[C@H](C(=O)[O-])CC[C@H]1c1ccccc1 ZINC001596950364 986110871 /nfs/dbraw/zinc/11/08/71/986110871.db2.gz YAIGSIDHEAFDKX-SFTDATJTSA-N 0 2 396.487 3.130 20 0 GGADLN C[C@H]1C[NH+](Cc2cc(C(=O)[O-])c3n2CCCC3)C[C@H](C)N1C(=O)OC(C)(C)C ZINC001594535182 986146617 /nfs/dbraw/zinc/14/66/17/986146617.db2.gz MCKWHMCAZPJTHL-GJZGRUSLSA-N 0 2 391.512 3.352 20 0 GGADLN C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)N[C@@H]2CCC[C@H]2CC(=O)[O-])C[C@H](C)O1 ZINC001594543751 986193792 /nfs/dbraw/zinc/19/37/92/986193792.db2.gz AVLFKTAJSYDOPZ-UIBIWLFHSA-N 0 2 389.496 3.061 20 0 GGADLN C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)N[C@@H]2CCC[C@H]2CC(=O)[O-])C[C@H](C)O1 ZINC001594543751 986193802 /nfs/dbraw/zinc/19/38/02/986193802.db2.gz AVLFKTAJSYDOPZ-UIBIWLFHSA-N 0 2 389.496 3.061 20 0 GGADLN C[C@H]1C[NH+](Cc2ccccc2NC(=O)NCCCCCC(=O)[O-])C[C@H](C)O1 ZINC001594545419 986208144 /nfs/dbraw/zinc/20/81/44/986208144.db2.gz RNZYMDBTEIKRRR-HOTGVXAUSA-N 0 2 377.485 3.062 20 0 GGADLN C[C@H](C(=O)N1c2ccccc2CC[C@@H]1C)[N@@H+]1CCOc2cc(C(=O)[O-])ccc2C1 ZINC001589373397 986421287 /nfs/dbraw/zinc/42/12/87/986421287.db2.gz COVKTEOYXJZIQF-JKSUJKDBSA-N 0 2 394.471 3.336 20 0 GGADLN C[C@H](C(=O)N1c2ccccc2CC[C@@H]1C)[N@H+]1CCOc2cc(C(=O)[O-])ccc2C1 ZINC001589373397 986421292 /nfs/dbraw/zinc/42/12/92/986421292.db2.gz COVKTEOYXJZIQF-JKSUJKDBSA-N 0 2 394.471 3.336 20 0 GGADLN C[C@H](C(=O)N1c2ccccc2CC[C@H]1C)[N@@H+]1CCOc2c(cccc2C(=O)[O-])C1 ZINC001589373837 986423519 /nfs/dbraw/zinc/42/35/19/986423519.db2.gz GJCWAKOCVMMFPW-HZPDHXFCSA-N 0 2 394.471 3.336 20 0 GGADLN C[C@H](C(=O)N1c2ccccc2CC[C@H]1C)[N@H+]1CCOc2c(cccc2C(=O)[O-])C1 ZINC001589373837 986423523 /nfs/dbraw/zinc/42/35/23/986423523.db2.gz GJCWAKOCVMMFPW-HZPDHXFCSA-N 0 2 394.471 3.336 20 0 GGADLN C[C@H]1CN=C(N2CC[NH+](Cc3ccc(-c4ccccc4C(=O)[O-])o3)CC2)S1 ZINC001594584900 986469614 /nfs/dbraw/zinc/46/96/14/986469614.db2.gz OXKARCAEHRVLIA-AWEZNQCLSA-N 0 2 385.489 3.254 20 0 GGADLN CCOc1ccc([C@H]2CCCN2C(=O)C[NH2+][C@](C)(C(=O)[O-])c2ccccc2)cc1 ZINC001597081621 986625891 /nfs/dbraw/zinc/62/58/91/986625891.db2.gz MHVMXBWNEUSCQM-OFNKIYASSA-N 0 2 396.487 3.338 20 0 GGADLN C[C@H](C(=O)Nc1cc(F)ccc1F)[N@@H+]1CCC[C@H](c2ncc(C(=O)[O-])s2)C1 ZINC001589431319 986727621 /nfs/dbraw/zinc/72/76/21/986727621.db2.gz GWXQZUBULHQGDD-MNOVXSKESA-N 0 2 395.431 3.326 20 0 GGADLN C[C@H](C(=O)Nc1cc(F)ccc1F)[N@H+]1CCC[C@H](c2ncc(C(=O)[O-])s2)C1 ZINC001589431319 986727627 /nfs/dbraw/zinc/72/76/27/986727627.db2.gz GWXQZUBULHQGDD-MNOVXSKESA-N 0 2 395.431 3.326 20 0 GGADLN C[C@@H](C(=O)Nc1ccc(F)cc1Cl)[N@@H+]1CC[C@](C(=O)[O-])(C(F)(F)F)C1 ZINC001589435037 986741821 /nfs/dbraw/zinc/74/18/21/986741821.db2.gz DTWZWRXJFBXNMZ-RTHLEPHNSA-N 0 2 382.741 3.145 20 0 GGADLN C[C@@H](C(=O)Nc1ccc(F)cc1Cl)[N@H+]1CC[C@](C(=O)[O-])(C(F)(F)F)C1 ZINC001589435037 986741832 /nfs/dbraw/zinc/74/18/32/986741832.db2.gz DTWZWRXJFBXNMZ-RTHLEPHNSA-N 0 2 382.741 3.145 20 0 GGADLN CCOc1ccc(NC(=O)C[NH2+][C@H](C(=O)[O-])c2ccc(OC)c(Cl)c2)cc1 ZINC001597111048 986758858 /nfs/dbraw/zinc/75/88/58/986758858.db2.gz CWXLCYXSOLSEPD-SFHVURJKSA-N 0 2 392.839 3.101 20 0 GGADLN CCOc1ccc(NC(=O)C[N@@H+]2CCc3ccc(C(=O)[O-])cc3C2)cc1OCC ZINC001597111015 986759420 /nfs/dbraw/zinc/75/94/20/986759420.db2.gz AVWBOPPRFWZLDP-UHFFFAOYSA-N 0 2 398.459 3.179 20 0 GGADLN CCOc1ccc(NC(=O)C[N@H+]2CCc3ccc(C(=O)[O-])cc3C2)cc1OCC ZINC001597111015 986759433 /nfs/dbraw/zinc/75/94/33/986759433.db2.gz AVWBOPPRFWZLDP-UHFFFAOYSA-N 0 2 398.459 3.179 20 0 GGADLN C[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)[N@H+](C)Cc1ccc(C(=O)[O-])cn1 ZINC001589439197 986771080 /nfs/dbraw/zinc/77/10/80/986771080.db2.gz FQRBKLFOJNNZGK-NSHDSACASA-N 0 2 381.354 3.258 20 0 GGADLN C[C@@H](C(=O)Nc1cccc(C(F)(F)F)c1)[N@@H+](C)Cc1ccc(C(=O)[O-])cn1 ZINC001589439197 986771092 /nfs/dbraw/zinc/77/10/92/986771092.db2.gz FQRBKLFOJNNZGK-NSHDSACASA-N 0 2 381.354 3.258 20 0 GGADLN C[C@@H](C(=O)Nc1ccccc1Cl)[N@H+]1C[C@H](C(F)(F)F)C[C@H](C(=O)[O-])C1 ZINC001589443852 986791004 /nfs/dbraw/zinc/79/10/04/986791004.db2.gz CERYFYIOOKMNOA-GARJFASQSA-N 0 2 378.778 3.252 20 0 GGADLN C[C@@H](C(=O)Nc1ccccc1Cl)[N@@H+]1C[C@H](C(F)(F)F)C[C@H](C(=O)[O-])C1 ZINC001589443852 986791014 /nfs/dbraw/zinc/79/10/14/986791014.db2.gz CERYFYIOOKMNOA-GARJFASQSA-N 0 2 378.778 3.252 20 0 GGADLN C[C@H](C(=O)Nc1cccc2ncccc21)[N@@H+]1CCOc2cc(C(=O)[O-])ccc2C1 ZINC001589444491 986799038 /nfs/dbraw/zinc/79/90/38/986799038.db2.gz HQQLPENYQYSKLL-CQSZACIVSA-N 0 2 391.427 3.155 20 0 GGADLN C[C@H](C(=O)Nc1cccc2ncccc21)[N@H+]1CCOc2cc(C(=O)[O-])ccc2C1 ZINC001589444491 986799049 /nfs/dbraw/zinc/79/90/49/986799049.db2.gz HQQLPENYQYSKLL-CQSZACIVSA-N 0 2 391.427 3.155 20 0 GGADLN C[C@@H](C(=O)Nc1cccc2ncccc21)[N@@H+]1CCOc2c(cccc2C(=O)[O-])C1 ZINC001589445283 986810616 /nfs/dbraw/zinc/81/06/16/986810616.db2.gz PUDQGLLEVANGQY-AWEZNQCLSA-N 0 2 391.427 3.155 20 0 GGADLN C[C@@H](C(=O)Nc1cccc2ncccc21)[N@H+]1CCOc2c(cccc2C(=O)[O-])C1 ZINC001589445283 986810621 /nfs/dbraw/zinc/81/06/21/986810621.db2.gz PUDQGLLEVANGQY-AWEZNQCLSA-N 0 2 391.427 3.155 20 0 GGADLN C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)[N@H+](C)Cc1ccc(C(=O)[O-])cn1 ZINC001589445617 986814312 /nfs/dbraw/zinc/81/43/12/986814312.db2.gz TXGAVKHOLHCYLG-NSHDSACASA-N 0 2 381.354 3.258 20 0 GGADLN C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)[N@@H+](C)Cc1ccc(C(=O)[O-])cn1 ZINC001589445617 986814317 /nfs/dbraw/zinc/81/43/17/986814317.db2.gz TXGAVKHOLHCYLG-NSHDSACASA-N 0 2 381.354 3.258 20 0 GGADLN CCOc1ccc(NC(=O)c2cccc(Cn3cc[nH+]c3)c2)c(C(=O)[O-])c1F ZINC001597122601 986818747 /nfs/dbraw/zinc/81/87/47/986818747.db2.gz INVAKOFATVERCW-UHFFFAOYSA-N 0 2 383.379 3.420 20 0 GGADLN C[C@H](C(=O)Nc1nc2ccccc2s1)[N@@H+]1CCc2cc(C(=O)[O-])ccc2C1 ZINC001589448358 986822426 /nfs/dbraw/zinc/82/24/26/986822426.db2.gz HGSYBQNYIVXJFX-GFCCVEGCSA-N 0 2 381.457 3.380 20 0 GGADLN C[C@H](C(=O)Nc1nc2ccccc2s1)[N@H+]1CCc2cc(C(=O)[O-])ccc2C1 ZINC001589448358 986822438 /nfs/dbraw/zinc/82/24/38/986822438.db2.gz HGSYBQNYIVXJFX-GFCCVEGCSA-N 0 2 381.457 3.380 20 0 GGADLN CCOc1ccc2nc(NC(=O)C[NH2+][C@@](C)(C(=O)[O-])c3ccccc3)sc2c1 ZINC001597143902 986902500 /nfs/dbraw/zinc/90/25/00/986902500.db2.gz NGIICIUTUAGOCL-HXUWFJFHSA-N 0 2 399.472 3.223 20 0 GGADLN CCOc1ccccc1C[N@@H+]1CCN(C(=O)[C@H]2CCCC[C@H]2C(=O)[O-])[C@H](C)C1 ZINC001597173105 987012867 /nfs/dbraw/zinc/01/28/67/987012867.db2.gz YQTFWDATZMCIFF-NZSAHSFTSA-N 0 2 388.508 3.009 20 0 GGADLN CCOc1ccccc1C[N@H+]1CCN(C(=O)[C@H]2CCCC[C@H]2C(=O)[O-])[C@H](C)C1 ZINC001597173105 987012877 /nfs/dbraw/zinc/01/28/77/987012877.db2.gz YQTFWDATZMCIFF-NZSAHSFTSA-N 0 2 388.508 3.009 20 0 GGADLN C[C@H](C(=O)[O-])c1ccc(NC(=O)N2CC[NH+]([C@@H](C)c3cccnc3)CC2)cc1 ZINC001589510470 987135805 /nfs/dbraw/zinc/13/58/05/987135805.db2.gz UNAIALQQFKQUGA-HOTGVXAUSA-N 0 2 382.464 3.180 20 0 GGADLN CC(C)(C(=O)[O-])[C@@H](NC(=O)C[C@@H](n1cc[nH+]c1)C(F)(F)F)c1ccccc1 ZINC001589592163 987400761 /nfs/dbraw/zinc/40/07/61/987400761.db2.gz QOTTWOLMDOECQK-HIFRSBDPSA-N 0 2 383.370 3.345 20 0 GGADLN CCc1[nH]c(C(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)c(C)c1C(=O)[O-] ZINC001597361941 987524587 /nfs/dbraw/zinc/52/45/87/987524587.db2.gz XIWNUJDYFCTXEY-UHFFFAOYSA-N 0 2 384.480 3.136 20 0 GGADLN CC(C)(C(=O)[O-])[NH+]1CCN(Cc2nc3ccc(Br)cc3s2)CC1 ZINC001589631551 987538746 /nfs/dbraw/zinc/53/87/46/987538746.db2.gz RMVJTFISXNOMSU-UHFFFAOYSA-N 0 2 398.326 3.040 20 0 GGADLN CC(C)(C(=O)[O-])c1ccc(NC(=O)Cc2c[nH+]cn2Cc2ccccc2)cc1 ZINC001589634259 987550187 /nfs/dbraw/zinc/55/01/87/987550187.db2.gz YVQUNVMJCMPMJB-UHFFFAOYSA-N 0 2 377.444 3.475 20 0 GGADLN CCc1[nH]c(C[N@H+](C)CC(=O)Nc2ccccc2Br)cc1C(=O)[O-] ZINC001597380696 987578926 /nfs/dbraw/zinc/57/89/26/987578926.db2.gz WTPURQRHZAQPOH-UHFFFAOYSA-N 0 2 394.269 3.108 20 0 GGADLN CCc1[nH]c(C[N@@H+](C)CC(=O)Nc2ccccc2Br)cc1C(=O)[O-] ZINC001597380696 987578934 /nfs/dbraw/zinc/57/89/34/987578934.db2.gz WTPURQRHZAQPOH-UHFFFAOYSA-N 0 2 394.269 3.108 20 0 GGADLN CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)c1cc(Br)cc(C(=O)[O-])c1 ZINC001589711458 987838718 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395.484 3.469 20 0 GGADLN CC(C)(C)OC(=O)C[N@H+](CCC(=O)[O-])C[C@@H]1CCC[C@@H](c2ccccc2)O1 ZINC001589883875 988563295 /nfs/dbraw/zinc/56/32/95/988563295.db2.gz USSNGWXADVZFEP-ROUUACIJSA-N 0 2 377.481 3.415 20 0 GGADLN CC(C)(C)OC(=O)C[N@@H+](CCC(=O)[O-])C[C@@H]1CCC[C@@H](c2ccccc2)O1 ZINC001589883875 988563301 /nfs/dbraw/zinc/56/33/01/988563301.db2.gz USSNGWXADVZFEP-ROUUACIJSA-N 0 2 377.481 3.415 20 0 GGADLN CSc1ccccc1NC(=O)C[N@H+](C)Cc1ccccc1O[C@@H](C)C(=O)[O-] ZINC001599825272 988588026 /nfs/dbraw/zinc/58/80/26/988588026.db2.gz PPAFRTOCTJERHZ-AWEZNQCLSA-N 0 2 388.489 3.331 20 0 GGADLN CSc1ccccc1NC(=O)C[N@@H+](C)Cc1ccccc1O[C@@H](C)C(=O)[O-] ZINC001599825272 988588034 /nfs/dbraw/zinc/58/80/34/988588034.db2.gz PPAFRTOCTJERHZ-AWEZNQCLSA-N 0 2 388.489 3.331 20 0 GGADLN CCc1nc(C2CC[NH+](Cc3ccc(C(=O)[O-])cc3Br)CC2)n[nH]1 ZINC001597663165 988740930 /nfs/dbraw/zinc/74/09/30/988740930.db2.gz LZICOKLYMVRDQW-UHFFFAOYSA-N 0 2 393.285 3.207 20 0 GGADLN CCc1nc(NC(=O)CSCc2cn3cc(C)ccc3[nH+]2)sc1C(=O)[O-] ZINC001597680892 988812744 /nfs/dbraw/zinc/81/27/44/988812744.db2.gz ZAVYCKXWYCFTQJ-UHFFFAOYSA-N 0 2 390.490 3.232 20 0 GGADLN CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](Cc3cccc(C(=O)[O-])c3Cl)[C@@H]2C1 ZINC001590074325 989161131 /nfs/dbraw/zinc/16/11/31/989161131.db2.gz ILDVESRWKXVCDZ-IUODEOHRSA-N 0 2 380.872 3.479 20 0 GGADLN CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](Cc3cccc(C(=O)[O-])c3Cl)[C@@H]2C1 ZINC001590074325 989161133 /nfs/dbraw/zinc/16/11/33/989161133.db2.gz ILDVESRWKXVCDZ-IUODEOHRSA-N 0 2 380.872 3.479 20 0 GGADLN CCc1oc(C(=O)[O-])cc1C[NH2+][C@@H](c1ccc(C)cc1)[C@H](C)S(C)(=O)=O ZINC001597767396 989220107 /nfs/dbraw/zinc/22/01/07/989220107.db2.gz LJCGJNVRWRGWCS-SCLBCKFNSA-N 0 2 379.478 3.113 20 0 GGADLN CCc1oc(C(=O)[O-])cc1COC(=O)Cn1c(C)[nH+]c2cc(F)c(F)cc21 ZINC001597772319 989237718 /nfs/dbraw/zinc/23/77/18/989237718.db2.gz GQVVSEUZQGEHKE-UHFFFAOYSA-N 0 2 378.331 3.220 20 0 GGADLN CCc1oc(C(=O)[O-])cc1S(=O)(=O)N(Cc1ccccc1)c1cc[nH+]cc1 ZINC001597778957 989264600 /nfs/dbraw/zinc/26/46/00/989264600.db2.gz YICRUKHAJHJEFD-UHFFFAOYSA-N 0 2 386.429 3.331 20 0 GGADLN CCc1oc(C[NH2+][C@H](c2ccc(Cl)cc2)[C@H]2CN(C)CCO2)cc1C(=O)[O-] ZINC001597798227 989361901 /nfs/dbraw/zinc/36/19/01/989361901.db2.gz AJXAWEOHAIANPJ-RTBURBONSA-N 0 2 392.883 3.355 20 0 GGADLN CCc1oc(CN[C@H](c2ccc(Cl)cc2)[C@H]2C[N@H+](C)CCO2)cc1C(=O)[O-] ZINC001597798227 989361909 /nfs/dbraw/zinc/36/19/09/989361909.db2.gz AJXAWEOHAIANPJ-RTBURBONSA-N 0 2 392.883 3.355 20 0 GGADLN CCc1oc(CN[C@H](c2ccc(Cl)cc2)[C@H]2C[N@@H+](C)CCO2)cc1C(=O)[O-] ZINC001597798227 989361918 /nfs/dbraw/zinc/36/19/18/989361918.db2.gz AJXAWEOHAIANPJ-RTBURBONSA-N 0 2 392.883 3.355 20 0 GGADLN CCc1onc(C)c1C[NH+]1CCN([C@@H](C(=O)[O-])c2ccc(Cl)cc2)CC1 ZINC001597813804 989437264 /nfs/dbraw/zinc/43/72/64/989437264.db2.gz OYGGBVQJKGBKFU-GOSISDBHSA-N 0 2 377.872 3.142 20 0 GGADLN C[C@@H]1C[C@H](C(=O)[O-])CC[N@@H+]1CC(=O)Nc1cc(C(F)(F)F)ccc1Cl ZINC001599878270 989449073 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399.285 3.246 20 0 GGADLN CC(C)(C)OC(=O)N[C@@H]1CC[N@@H+](Cc2cc(C(=O)[O-])ccc2Br)C1 ZINC001590263030 989653135 /nfs/dbraw/zinc/65/31/35/989653135.db2.gz CFJQZNDJYHMHKD-CYBMUJFWSA-N 0 2 399.285 3.246 20 0 GGADLN CC(C)(C)OC(=O)Nc1cccc2c1CC[N@H+](Cc1cnc(C(=O)[O-])cn1)C2 ZINC001590318671 989749229 /nfs/dbraw/zinc/74/92/29/989749229.db2.gz HSCWETZEUPFPTH-UHFFFAOYSA-N 0 2 384.436 3.080 20 0 GGADLN CC(C)(C)OC(=O)Nc1cccc2c1CC[N@@H+](Cc1cnc(C(=O)[O-])cn1)C2 ZINC001590318671 989749232 /nfs/dbraw/zinc/74/92/32/989749232.db2.gz HSCWETZEUPFPTH-UHFFFAOYSA-N 0 2 384.436 3.080 20 0 GGADLN CN(C(=O)[C@@H]1CCc2[nH+]ccn2C1)[C@H](C(=O)[O-])c1cccc(Cl)c1Cl ZINC001598004425 990150768 /nfs/dbraw/zinc/15/07/68/990150768.db2.gz ZPMKGXMHUFQCPM-BMIGLBTASA-N 0 2 382.247 3.037 20 0 GGADLN CN(C(=O)C[N@@H+]1CCc2cccc(C(=O)[O-])c2C1)c1nc2ccccc2s1 ZINC001598023471 990222767 /nfs/dbraw/zinc/22/27/67/990222767.db2.gz UPTCPULNOSFJDT-UHFFFAOYSA-N 0 2 381.457 3.016 20 0 GGADLN CN(C(=O)C[N@H+]1CCc2cccc(C(=O)[O-])c2C1)c1nc2ccccc2s1 ZINC001598023471 990222773 /nfs/dbraw/zinc/22/27/73/990222773.db2.gz UPTCPULNOSFJDT-UHFFFAOYSA-N 0 2 381.457 3.016 20 0 GGADLN CC(C)(C)n1c[nH+]cc1[C@@H]1CCCN(C(=O)N[C@H]2C[C@H]3C[C@H](C(=O)[O-])C[C@H]32)C1 ZINC001590603137 990263787 /nfs/dbraw/zinc/26/37/87/990263787.db2.gz QJOOUPCNQAWYJJ-UUAJXVIYSA-N 0 2 388.512 3.026 20 0 GGADLN COc1cccc([C@H]([NH2+]CC(=O)Nc2ccc(SC(F)F)cc2)C(=O)[O-])c1 ZINC001599686911 991002383 /nfs/dbraw/zinc/00/23/83/991002383.db2.gz PLQMLYDLZAWOEO-INIZCTEOSA-N 0 2 396.415 3.364 20 0 GGADLN COc1ccccc1-c1nnc(C[NH2+][C@H](C)c2ccc(OCC(=O)[O-])cc2)o1 ZINC001599694492 991126666 /nfs/dbraw/zinc/12/66/66/991126666.db2.gz DDXFKLDIPPKEDK-CYBMUJFWSA-N 0 2 383.404 3.059 20 0 GGADLN COc1ccccc1-c1noc([C@H](C)[NH2+]Cc2ccc(O[C@H](C)C(=O)[O-])cc2)n1 ZINC001599696028 991150799 /nfs/dbraw/zinc/15/07/99/991150799.db2.gz NKZJSMBIIBTTSV-UONOGXRCSA-N 0 2 397.431 3.448 20 0 GGADLN COc1ccccc1-c1noc([C@H](C)[NH2+][C@H](Cc2ccc(F)cc2)C(=O)[O-])n1 ZINC001599696178 991152700 /nfs/dbraw/zinc/15/27/00/991152700.db2.gz PSBRSDZCKKZVBG-BLLLJJGKSA-N 0 2 385.395 3.231 20 0 GGADLN COc1ccccc1[C@H](C)N(C)C(=O)C[NH2+][C@H](C(=O)[O-])c1ccc(C)c(C)c1 ZINC001599696769 991160123 /nfs/dbraw/zinc/16/01/23/991160123.db2.gz AXZLWQMDIPAFRZ-KKSFZXQISA-N 0 2 384.476 3.247 20 0 GGADLN CN(C)c1cc(C(=O)[O-])ccc1NC(=O)NCc1cccc(Cn2cc[nH+]c2)c1 ZINC001598300109 991241817 /nfs/dbraw/zinc/24/18/17/991241817.db2.gz DPLRQLQNPKJQED-UHFFFAOYSA-N 0 2 393.447 3.017 20 0 GGADLN CN(C)c1cc(C(=O)[O-])ccc1NC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC001598300477 991244375 /nfs/dbraw/zinc/24/43/75/991244375.db2.gz LZNXJDXXVVCWTO-UHFFFAOYSA-N 0 2 393.447 3.017 20 0 GGADLN COc1ccccc1C[C@@H](CNc1nc(C)[nH+]c(C)c1Br)C(=O)[O-] ZINC001599708286 991327059 /nfs/dbraw/zinc/32/70/59/991327059.db2.gz YCDCOFQSRHBHSC-ZDUSSCGKSA-N 0 2 394.269 3.220 20 0 GGADLN CN(C)c1ccc([NH+]2CCC(NC(=O)CCc3ccccc3C(=O)[O-])CC2)cc1 ZINC001598322114 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3.268 20 0 GGADLN CC(C)N(Cc1ccccc1)C(=O)[C@H](C)[NH2+][C@@H](C)c1ncc(C(=O)[O-])s1 ZINC001593204445 994201526 /nfs/dbraw/zinc/20/15/26/994201526.db2.gz RSASCVUNJSFAAT-KBPBESRZSA-N 0 2 375.494 3.318 20 0 GGADLN C[C@@H]([NH2+]C1(c2ncc(Br)cn2)CCC1)c1cncc(C(=O)[O-])c1 ZINC001593210193 994244700 /nfs/dbraw/zinc/24/47/00/994244700.db2.gz NIYZFQSHPOZPQB-SNVBAGLBSA-N 0 2 377.242 3.062 20 0 GGADLN COc1cccc(-c2nc(C[N@@H+]3Cc4cc(O)ccc4C[C@@H]3C(=O)[O-])co2)c1 ZINC001599639143 994332109 /nfs/dbraw/zinc/33/21/09/994332109.db2.gz LJZXMMCMUNNFIA-LJQANCHMSA-N 0 2 380.400 3.067 20 0 GGADLN COc1cccc(-c2nc(C[N@H+]3Cc4cc(O)ccc4C[C@@H]3C(=O)[O-])co2)c1 ZINC001599639143 994332114 /nfs/dbraw/zinc/33/21/14/994332114.db2.gz LJZXMMCMUNNFIA-LJQANCHMSA-N 0 2 380.400 3.067 20 0 GGADLN COc1cccc(-c2csc(C[NH2+][C@@H](Cc3cncs3)C(=O)[O-])n2)c1 ZINC001599639979 994344193 /nfs/dbraw/zinc/34/41/93/994344193.db2.gz FTWOJRCHFPKQPU-AWEZNQCLSA-N 0 2 375.475 3.061 20 0 GGADLN C[C@H]([NH2+]CC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-])c1c(F)cccc1Cl ZINC001593230145 994358618 /nfs/dbraw/zinc/35/86/18/994358618.db2.gz GOUCTPBRQZHCOQ-SJCJKPOMSA-N 0 2 390.842 3.168 20 0 GGADLN COc1cccc(-c2noc([C@@H](C)[NH2+]Cc3ccc(OCC(=O)[O-])cc3)n2)c1 ZINC001599641310 994362885 /nfs/dbraw/zinc/36/28/85/994362885.db2.gz BGPDUXLTCCRZTC-CYBMUJFWSA-N 0 2 383.404 3.059 20 0 GGADLN C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[NH2+][C@@H](C)c1ncc(C(=O)[O-])s1 ZINC001593231269 994372400 /nfs/dbraw/zinc/37/24/00/994372400.db2.gz OLAYBDJTRGFKSF-WDEREUQCSA-N 0 2 381.885 3.365 20 0 GGADLN C[C@@H]([NH2+]CC(=O)N(Cc1ccco1)c1ccccc1)c1ncc(C(=O)[O-])s1 ZINC001593232381 994385143 /nfs/dbraw/zinc/38/51/43/994385143.db2.gz VOANZPMOMHNUSI-CYBMUJFWSA-N 0 2 385.445 3.318 20 0 GGADLN COc1cccc([C@H](C(=O)[O-])[NH+]2CCN(c3nccc4sccc43)CC2)c1 ZINC001599650956 994499016 /nfs/dbraw/zinc/49/90/16/994499016.db2.gz OXVYNRRKUSNLEO-GOSISDBHSA-N 0 2 383.473 3.253 20 0 GGADLN COc1cccc([C@@H](C(=O)[O-])[NH+]2CCN(c3nccc4sccc43)CC2)c1 ZINC001599650957 994499037 /nfs/dbraw/zinc/49/90/37/994499037.db2.gz OXVYNRRKUSNLEO-SFHVURJKSA-N 0 2 383.473 3.253 20 0 GGADLN COc1cccc([C@@](C)(CC(=O)[O-])[NH2+]Cc2nc(Cc3cccc(F)c3)no2)c1 ZINC001599655262 994568199 /nfs/dbraw/zinc/56/81/99/994568199.db2.gz HPPRVGZCECWXCS-OAQYLSRUSA-N 0 2 399.422 3.288 20 0 GGADLN COc1cccc([C@@H](C)N2CC[NH+](Cc3ccccc3OCC(=O)[O-])CC2)c1 ZINC001599655436 994571370 /nfs/dbraw/zinc/57/13/70/994571370.db2.gz QXNWTEYWARSPJF-QGZVFWFLSA-N 0 2 384.476 3.037 20 0 GGADLN C[C@@H]([NH2+]CCS(=O)(=O)c1ccc(C(C)(C)C)cc1)c1ncc(C(=O)[O-])s1 ZINC001593272754 994613904 /nfs/dbraw/zinc/61/39/04/994613904.db2.gz TXVRJVHRZCEAJU-GFCCVEGCSA-N 0 2 396.534 3.263 20 0 GGADLN C[C@@H]([NH2+]Cc1cc(C(=O)[O-])ccc1Br)c1nnc2ccccn21 ZINC001593288467 994656221 /nfs/dbraw/zinc/65/62/21/994656221.db2.gz KISYXFKEOCODAO-SNVBAGLBSA-N 0 2 375.226 3.041 20 0 GGADLN COc1cccc([C@H]2CCC[N@@H+]2Cc2nc(=O)c3c(C)c(C(=O)[O-])sc3[nH]2)c1 ZINC001599665005 994715333 /nfs/dbraw/zinc/71/53/33/994715333.db2.gz HOYMFBHTFNULKE-CQSZACIVSA-N 0 2 399.472 3.337 20 0 GGADLN COc1cccc([C@H]2CCC[N@H+]2Cc2nc(=O)c3c(C)c(C(=O)[O-])sc3[nH]2)c1 ZINC001599665005 994715342 /nfs/dbraw/zinc/71/53/42/994715342.db2.gz HOYMFBHTFNULKE-CQSZACIVSA-N 0 2 399.472 3.337 20 0 GGADLN C[C@@H]([NH2+]Cc1nc(Cc2ccc(F)cc2)no1)c1ccc(OCC(=O)[O-])cc1 ZINC001593311378 994781472 /nfs/dbraw/zinc/78/14/72/994781472.db2.gz GBLKMLCWJDZIEX-CYBMUJFWSA-N 0 2 385.395 3.114 20 0 GGADLN COc1cccc(Cn2c(NCc3cc(C(=O)[O-])no3)[nH+]c3ccccc32)c1 ZINC001599676207 994901530 /nfs/dbraw/zinc/90/15/30/994901530.db2.gz DUKPNXLGJFYUOY-UHFFFAOYSA-N 0 2 378.388 3.392 20 0 GGADLN COc1cccc(Cn2c(NC[C@H]3[C@H](C(=O)[O-])C3(F)F)[nH+]c3ccccc32)c1 ZINC001599677235 994918043 /nfs/dbraw/zinc/91/80/43/994918043.db2.gz ONSXYEPUXFJZMR-WMLDXEAASA-N 0 2 387.386 3.471 20 0 GGADLN COC(=O)[C@@H](c1cccc(C(=O)[O-])c1)[NH+]1CCC([C@@H](O)c2ccccc2C)CC1 ZINC001598713082 995371135 /nfs/dbraw/zinc/37/11/35/995371135.db2.gz NNKVECTZCYDXDU-NHCUHLMSSA-N 0 2 397.471 3.353 20 0 GGADLN COC(=O)[C@@H](c1cccc(C(=O)[O-])c1)[N@@H+]1CC[C@H](c2ccc(OC)c(F)c2)C1 ZINC001598714254 995386009 /nfs/dbraw/zinc/38/60/09/995386009.db2.gz UEPCSEQIZCEXLE-QFBILLFUSA-N 0 2 387.407 3.236 20 0 GGADLN COC(=O)[C@@H](c1cccc(C(=O)[O-])c1)[N@H+]1CC[C@H](c2ccc(OC)c(F)c2)C1 ZINC001598714254 995386014 /nfs/dbraw/zinc/38/60/14/995386014.db2.gz UEPCSEQIZCEXLE-QFBILLFUSA-N 0 2 387.407 3.236 20 0 GGADLN COC(=O)[C@H]1C[C@@H](C(=O)[O-])CC[N@@H+]1Cc1ccc(Oc2cccnc2)c(C)c1 ZINC001598755342 995707379 /nfs/dbraw/zinc/70/73/79/995707379.db2.gz DBXQASLQMMUAPP-FUHWJXTLSA-N 0 2 384.432 3.021 20 0 GGADLN COC(=O)[C@H]1C[C@@H](C(=O)[O-])CC[N@H+]1Cc1ccc(Oc2cccnc2)c(C)c1 ZINC001598755342 995707383 /nfs/dbraw/zinc/70/73/83/995707383.db2.gz DBXQASLQMMUAPP-FUHWJXTLSA-N 0 2 384.432 3.021 20 0 GGADLN COC(=O)[C@H]1C[C@H](C(=O)[O-])CC[N@@H+]1Cc1ccc(Oc2cccc(F)c2)cc1 ZINC001598758659 995751204 /nfs/dbraw/zinc/75/12/04/995751204.db2.gz LOQJNIWZYPQHIR-DNVCBOLYSA-N 0 2 387.407 3.456 20 0 GGADLN COC(=O)[C@H]1C[C@H](C(=O)[O-])CC[N@H+]1Cc1ccc(Oc2cccc(F)c2)cc1 ZINC001598758659 995751212 /nfs/dbraw/zinc/75/12/12/995751212.db2.gz LOQJNIWZYPQHIR-DNVCBOLYSA-N 0 2 387.407 3.456 20 0 GGADLN C[C@@H](Oc1ccc(C[NH+]2CC(O)(c3cccc4ccccc43)C2)cc1)C(=O)[O-] ZINC001593616357 995848027 /nfs/dbraw/zinc/84/80/27/995848027.db2.gz XZFJVCDDNYEGMN-MRXNPFEDSA-N 0 2 377.440 3.395 20 0 GGADLN COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])C[N@@H+]1Cc1ccccc1OCc1ccccc1 ZINC001598776267 995932792 /nfs/dbraw/zinc/93/27/92/995932792.db2.gz JILCVNUUYATUKA-MOPGFXCFSA-N 0 2 383.444 3.104 20 0 GGADLN COC(=O)[C@@H]1CC[C@@H](C(=O)[O-])C[N@H+]1Cc1ccccc1OCc1ccccc1 ZINC001598776267 995932794 /nfs/dbraw/zinc/93/27/94/995932794.db2.gz JILCVNUUYATUKA-MOPGFXCFSA-N 0 2 383.444 3.104 20 0 GGADLN C[C@H](Sc1ccccc1C(=O)NCc1ccc(-n2cc[nH+]c2)cc1)C(=O)[O-] ZINC001593672392 996075779 /nfs/dbraw/zinc/07/57/79/996075779.db2.gz BXTIZNYCNHCVOL-AWEZNQCLSA-N 0 2 381.457 3.368 20 0 GGADLN C[C@@H](Sc1ccccc1C(=O)NCc1ccc(-n2cc[nH+]c2)cc1)C(=O)[O-] ZINC001593672393 996075981 /nfs/dbraw/zinc/07/59/81/996075981.db2.gz BXTIZNYCNHCVOL-CQSZACIVSA-N 0 2 381.457 3.368 20 0 GGADLN COC(=O)[C@@H]1CC[N@H+](Cc2ccc(-c3cccc(F)c3F)o2)[C@H](C(=O)[O-])C1 ZINC001598802688 996153241 /nfs/dbraw/zinc/15/32/41/996153241.db2.gz ZEQINOPAROWIHQ-ABAIWWIYSA-N 0 2 379.359 3.063 20 0 GGADLN COC(=O)[C@@H]1CC[N@@H+](Cc2ccc(-c3cccc(F)c3F)o2)[C@H](C(=O)[O-])C1 ZINC001598802688 996153243 /nfs/dbraw/zinc/15/32/43/996153243.db2.gz ZEQINOPAROWIHQ-ABAIWWIYSA-N 0 2 379.359 3.063 20 0 GGADLN COC(=O)[C@H]1CC[N@H+](Cc2ccc(-c3cccc(F)c3F)o2)[C@@H](C(=O)[O-])C1 ZINC001598802694 996153252 /nfs/dbraw/zinc/15/32/52/996153252.db2.gz ZEQINOPAROWIHQ-XHDPSFHLSA-N 0 2 379.359 3.063 20 0 GGADLN COC(=O)[C@H]1CC[N@@H+](Cc2ccc(-c3cccc(F)c3F)o2)[C@@H](C(=O)[O-])C1 ZINC001598802694 996153256 /nfs/dbraw/zinc/15/32/56/996153256.db2.gz ZEQINOPAROWIHQ-XHDPSFHLSA-N 0 2 379.359 3.063 20 0 GGADLN COC(=O)[C@@H]1CC[N@H+](Cc2cnc(-c3ccc(Cl)cc3)s2)[C@@H](C(=O)[O-])C1 ZINC001598803475 996162110 /nfs/dbraw/zinc/16/21/10/996162110.db2.gz LXVBSUOCOHIWGK-IUODEOHRSA-N 0 2 394.880 3.302 20 0 GGADLN COC(=O)[C@@H]1CC[N@@H+](Cc2cnc(-c3ccc(Cl)cc3)s2)[C@@H](C(=O)[O-])C1 ZINC001598803475 996162112 /nfs/dbraw/zinc/16/21/12/996162112.db2.gz LXVBSUOCOHIWGK-IUODEOHRSA-N 0 2 394.880 3.302 20 0 GGADLN C[C@@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+]1CCC[C@@H](c2ncc(C(=O)[O-])s2)C1 ZINC001593700038 996173844 /nfs/dbraw/zinc/17/38/44/996173844.db2.gz SXFUJZOQPRFLTA-GXTWGEPZSA-N 0 2 394.518 3.185 20 0 GGADLN C[C@@H](c1ccc(S(C)(=O)=O)cc1)[N@H+]1CCC[C@@H](c2ncc(C(=O)[O-])s2)C1 ZINC001593700038 996173849 /nfs/dbraw/zinc/17/38/49/996173849.db2.gz SXFUJZOQPRFLTA-GXTWGEPZSA-N 0 2 394.518 3.185 20 0 GGADLN C[C@@H](c1cccc(NC(=O)NCc2ccc(C(=O)[O-])s2)c1)[NH+]1CCOCC1 ZINC001593703385 996179815 /nfs/dbraw/zinc/17/98/15/996179815.db2.gz OQGPUNSDNLWOEM-ZDUSSCGKSA-N 0 2 389.477 3.161 20 0 GGADLN C[C@H](c1cccnc1)[NH+]1CCN(Cc2ccc(C(=O)[O-])c3cccnc23)CC1 ZINC001593718753 996239371 /nfs/dbraw/zinc/23/93/71/996239371.db2.gz AEIBFPWKTLJQMA-MRXNPFEDSA-N 0 2 376.460 3.207 20 0 GGADLN C[C@H](c1ccsc1)[NH+]1CCN(C(=O)Nc2ccc3[nH]nc(C(=O)[O-])c3c2)CC1 ZINC001593725649 996280391 /nfs/dbraw/zinc/28/03/91/996280391.db2.gz ZKQPMRSYSOKSCH-GFCCVEGCSA-N 0 2 399.476 3.233 20 0 GGADLN C[C@@H](c1ccsc1)[NH+]1CCN(C(=O)Nc2ccc3[nH]nc(C(=O)[O-])c3c2)CC1 ZINC001593725650 996281130 /nfs/dbraw/zinc/28/11/30/996281130.db2.gz ZKQPMRSYSOKSCH-LBPRGKRZSA-N 0 2 399.476 3.233 20 0 GGADLN C[C@@H](c1nc(C(=O)[O-])co1)[N@H+](C)C[C@H](O)COc1cc(Cl)cc(Cl)c1 ZINC001593725889 996283600 /nfs/dbraw/zinc/28/36/00/996283600.db2.gz VUGKUXSUFOYAPR-CABZTGNLSA-N 0 2 389.235 3.112 20 0 GGADLN C[C@@H](c1nc(C(=O)[O-])co1)[N@@H+](C)C[C@H](O)COc1cc(Cl)cc(Cl)c1 ZINC001593725889 996283607 /nfs/dbraw/zinc/28/36/07/996283607.db2.gz VUGKUXSUFOYAPR-CABZTGNLSA-N 0 2 389.235 3.112 20 0 GGADLN C[C@H](c1ncc(C(=O)[O-])s1)[N@@H+]1CCC[C@H]1COC(=O)NC1CCCCC1 ZINC001593731166 996299941 /nfs/dbraw/zinc/29/99/41/996299941.db2.gz CIWSSJJODIDDCU-OCCSQVGLSA-N 0 2 381.498 3.426 20 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C[C@H](c1nc(Cc2ccc(F)cc2)no1)[N@@H+]1CC[C@](C(=O)[O-])(C(F)(F)F)C1 ZINC001593732837 996316193 /nfs/dbraw/zinc/31/61/93/996316193.db2.gz AFDIKVANAVASFP-HWPZZCPQSA-N 0 2 387.333 3.200 20 0 GGADLN C[C@H](c1nc(Cc2ccc(F)cc2)no1)[N@H+]1CC[C@](C(=O)[O-])(C(F)(F)F)C1 ZINC001593732837 996316200 /nfs/dbraw/zinc/31/62/00/996316200.db2.gz AFDIKVANAVASFP-HWPZZCPQSA-N 0 2 387.333 3.200 20 0 GGADLN C[C@@H](c1nc(Cc2ccccc2)no1)[N@H+]1C[C@H](C(F)(F)F)C[C@H](C(=O)[O-])C1 ZINC001593733598 996319200 /nfs/dbraw/zinc/31/92/00/996319200.db2.gz HZQLWKBXSQICBT-FPMFFAJLSA-N 0 2 383.370 3.306 20 0 GGADLN C[C@@H](c1nc(Cc2ccccc2)no1)[N@@H+]1C[C@H](C(F)(F)F)C[C@H](C(=O)[O-])C1 ZINC001593733598 996319205 /nfs/dbraw/zinc/31/92/05/996319205.db2.gz HZQLWKBXSQICBT-FPMFFAJLSA-N 0 2 383.370 3.306 20 0 GGADLN C[C@@H](c1ncc(C(=O)[O-])s1)N1CC[NH+](CCOc2ccc(Cl)cc2)CC1 ZINC001593736507 996326596 /nfs/dbraw/zinc/32/65/96/996326596.db2.gz BFCXNLHAPKLJGZ-ZDUSSCGKSA-N 0 2 395.912 3.252 20 0 GGADLN C[C@@H](c1nnc(SCc2oncc2C(=O)[O-])n1-c1ccc(F)cc1)[NH+](C)C ZINC001593738504 996347926 /nfs/dbraw/zinc/34/79/26/996347926.db2.gz VXGVZBXSNKYHFW-JTQLQIEISA-N 0 2 391.428 3.008 20 0 GGADLN COC[C@@H]([NH2+]CC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)[O-])c1ccco1 ZINC001599175206 996829105 /nfs/dbraw/zinc/82/91/05/996829105.db2.gz ZYLXJHGRKVYSFD-GFCCVEGCSA-N 0 2 387.219 3.200 20 0 GGADLN COCc1cc(NC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)cc(C(=O)[O-])c1 ZINC001599284129 996945370 /nfs/dbraw/zinc/94/53/70/996945370.db2.gz PWXWYSIDZUALQI-GOSISDBHSA-N 0 2 379.416 3.415 20 0 GGADLN COCc1cc(NC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)cc(C(=O)[O-])c1 ZINC001599285737 996974713 /nfs/dbraw/zinc/97/47/13/996974713.db2.gz HGDQXLVTKMVPBJ-UHFFFAOYSA-N 0 2 398.394 3.178 20 0 GGADLN COC[C@@]1(C(=O)[O-])CCC[N@@H+]1Cc1cc(Cl)ccc1OCc1cccnc1 ZINC001599193058 997159169 /nfs/dbraw/zinc/15/91/69/997159169.db2.gz SPCRKCQZYCVPMJ-HXUWFJFHSA-N 0 2 390.867 3.380 20 0 GGADLN COC[C@@]1(C(=O)[O-])CCC[N@H+]1Cc1cc(Cl)ccc1OCc1cccnc1 ZINC001599193058 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HTPSTNNHPIWUMM-JOCHJYFZSA-N 0 2 395.459 3.100 20 0 GGADLN COC[C@@]1(C(=O)[O-])CCC[N@H+]1Cc1nc2ccccc2n1-c1ccc(OC)cc1 ZINC001599194466 997189766 /nfs/dbraw/zinc/18/97/66/997189766.db2.gz HTPSTNNHPIWUMM-JOCHJYFZSA-N 0 2 395.459 3.100 20 0 GGADLN COc1cc(C[N@H+](C)CC(=O)Nc2ccccc2C(=O)[O-])ccc1OC(F)F ZINC001599405563 997291383 /nfs/dbraw/zinc/29/13/83/997291383.db2.gz DXRYSHORZHTNST-UHFFFAOYSA-N 0 2 394.374 3.065 20 0 GGADLN COc1cc(C[N@@H+](C)CC(=O)Nc2ccccc2C(=O)[O-])ccc1OC(F)F ZINC001599405563 997291395 /nfs/dbraw/zinc/29/13/95/997291395.db2.gz DXRYSHORZHTNST-UHFFFAOYSA-N 0 2 394.374 3.065 20 0 GGADLN COc1cc(C[N@H+](C)CC(=O)c2[nH]c(C)c(C(=O)[O-])c2C)ccc1OC(F)F ZINC001599405748 997294753 /nfs/dbraw/zinc/29/47/53/997294753.db2.gz JFYFHRJGVKLNKQ-UHFFFAOYSA-N 0 2 396.390 3.254 20 0 GGADLN COc1cc(C[N@@H+](C)CC(=O)c2[nH]c(C)c(C(=O)[O-])c2C)ccc1OC(F)F ZINC001599405748 997294761 /nfs/dbraw/zinc/29/47/61/997294761.db2.gz JFYFHRJGVKLNKQ-UHFFFAOYSA-N 0 2 396.390 3.254 20 0 GGADLN COc1cc(C[N@H+](CC(=O)[O-])Cc2cn(C)nc2-c2ccccc2)cc(OC)c1 ZINC001599405843 997298515 /nfs/dbraw/zinc/29/85/15/997298515.db2.gz LVKKXXRIPMFBSP-UHFFFAOYSA-N 0 2 395.459 3.191 20 0 GGADLN COc1cc(C[N@@H+](CC(=O)[O-])Cc2cn(C)nc2-c2ccccc2)cc(OC)c1 ZINC001599405843 997298526 /nfs/dbraw/zinc/29/85/26/997298526.db2.gz LVKKXXRIPMFBSP-UHFFFAOYSA-N 0 2 395.459 3.191 20 0 GGADLN COc1cc(C[N@@H+]2CCC[C@H]2c2ccnn2C)c(Br)cc1C(=O)[O-] ZINC001599407054 997328352 /nfs/dbraw/zinc/32/83/52/997328352.db2.gz FXMXHMSISDPWHJ-HNNXBMFYSA-N 0 2 394.269 3.227 20 0 GGADLN COc1cc(C[N@H+]2CCC[C@H]2c2ccnn2C)c(Br)cc1C(=O)[O-] ZINC001599407054 997328363 /nfs/dbraw/zinc/32/83/63/997328363.db2.gz FXMXHMSISDPWHJ-HNNXBMFYSA-N 0 2 394.269 3.227 20 0 GGADLN COC(=O)c1[nH]c2ccccc2c1C[N@@H+]1CCOc2c(cccc2C(=O)[O-])C1 ZINC001598909615 997334897 /nfs/dbraw/zinc/33/48/97/997334897.db2.gz LRPXTWCDNDRBLG-UHFFFAOYSA-N 0 2 380.400 3.047 20 0 GGADLN COC(=O)c1[nH]c2ccccc2c1C[N@H+]1CCOc2c(cccc2C(=O)[O-])C1 ZINC001598909615 997334906 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3.176 20 0 GGADLN COc1ccc([C@H](NC(=O)C[N@@H+]2CCc3ccc(C(=O)[O-])cc3C2)C(C)C)cc1 ZINC001599521230 997483986 /nfs/dbraw/zinc/48/39/86/997483986.db2.gz VHIHKTQYDIAWLM-JOCHJYFZSA-N 0 2 396.487 3.265 20 0 GGADLN COc1ccc([C@H](NC(=O)C[N@H+]2CCc3ccc(C(=O)[O-])cc3C2)C(C)C)cc1 ZINC001599521230 997483991 /nfs/dbraw/zinc/48/39/91/997483991.db2.gz VHIHKTQYDIAWLM-JOCHJYFZSA-N 0 2 396.487 3.265 20 0 GGADLN COc1cc(C[NH2+]Cc2ccc(/C=C/C(=O)[O-])o2)c(Br)cc1O ZINC001599415656 997503373 /nfs/dbraw/zinc/50/33/73/997503373.db2.gz YAWQSJAITCTKRI-SNAWJCMRSA-N 0 2 382.210 3.144 20 0 GGADLN COc1cc(C[NH2+]Cc2ccc(/C=C\C(=O)[O-])o2)c(Br)cc1O ZINC001599415655 997503569 /nfs/dbraw/zinc/50/35/69/997503569.db2.gz YAWQSJAITCTKRI-PLNGDYQASA-N 0 2 382.210 3.144 20 0 GGADLN COc1cc(C[NH2+][C@H](CO)c2cccc(F)c2)c(Br)cc1C(=O)[O-] ZINC001599416342 997518857 /nfs/dbraw/zinc/51/88/57/997518857.db2.gz UAYBUSNSPPTMED-OAHLLOKOSA-N 0 2 398.228 3.118 20 0 GGADLN COc1cc(C[NH2+][C@H](C)c2nccnc2C)c(Br)cc1C(=O)[O-] ZINC001599416421 997520343 /nfs/dbraw/zinc/52/03/43/997520343.db2.gz XGZHRWDEZWYQJM-SNVBAGLBSA-N 0 2 380.242 3.105 20 0 GGADLN CO[C@@H]1CCC[C@H]([C@H]([NH2+]Cc2nnc(-c3ccccc3Cl)o2)C(=O)[O-])C1 ZINC001599112347 997592335 /nfs/dbraw/zinc/59/23/35/997592335.db2.gz LWLBPGVUDLQMFG-OZVIIMIRSA-N 0 2 379.844 3.138 20 0 GGADLN COc1ccc([C@@H]([NH2+]CC(=O)Nc2c(C)cccc2C)C(=O)[O-])cc1Cl ZINC001599528438 997605080 /nfs/dbraw/zinc/60/50/80/997605080.db2.gz VFOBQLANDRHDLS-GOSISDBHSA-N 0 2 376.840 3.319 20 0 GGADLN COc1ccc([C@H]([NH2+]CC(=O)Nc2ccc(C)cc2C)C(=O)[O-])cc1Cl ZINC001599528785 997611044 /nfs/dbraw/zinc/61/10/44/997611044.db2.gz YGRFMAOCJVXLLW-SFHVURJKSA-N 0 2 376.840 3.319 20 0 GGADLN COc1cc(F)cc(C[NH+]2CCN([C@@H](C(=O)[O-])c3cccc(Cl)c3)CC2)c1 ZINC001599426062 997677861 /nfs/dbraw/zinc/67/78/61/997677861.db2.gz CLYUKBORXPLBBT-LJQANCHMSA-N 0 2 392.858 3.431 20 0 GGADLN COc1ccc(C)cc1NC(=O)C[NH2+][C@@]1(C(=O)[O-])CC[C@H](C)c2ccccc21 ZINC001599535503 997736806 /nfs/dbraw/zinc/73/68/06/997736806.db2.gz VSBMKHUMPTXSFF-NYHFZMIOSA-N 0 2 382.460 3.409 20 0 GGADLN COc1ccc(C)cc1NC(=O)C[NH2+][C@]1(C(=O)[O-])CC[C@H](C)c2ccccc21 ZINC001599535504 997737139 /nfs/dbraw/zinc/73/71/39/997737139.db2.gz VSBMKHUMPTXSFF-OYHNWAKOSA-N 0 2 382.460 3.409 20 0 GGADLN COc1c(C)c[nH+]c(CN(C)C(=O)Cn2cc(C(=O)[O-])c3ccccc32)c1C ZINC001599334347 997806309 /nfs/dbraw/zinc/80/63/09/997806309.db2.gz UVVNMZQDYSSBQV-UHFFFAOYSA-N 0 2 381.432 3.019 20 0 GGADLN COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)Nc2ccsc2C(=O)[O-])c(OC)c1 ZINC001599539691 997813694 /nfs/dbraw/zinc/81/36/94/997813694.db2.gz OZIDHZLYUSMRIH-HNNXBMFYSA-N 0 2 390.461 3.239 20 0 GGADLN COc1ccc([C@@H]2CCC[N@H+]2CC(=O)Nc2ccsc2C(=O)[O-])c(OC)c1 ZINC001599539691 997813706 /nfs/dbraw/zinc/81/37/06/997813706.db2.gz OZIDHZLYUSMRIH-HNNXBMFYSA-N 0 2 390.461 3.239 20 0 GGADLN COc1cc(NC(=O)CSCc2cn3cc(C)ccc3[nH+]2)ccc1C(=O)[O-] ZINC001599434279 997814227 /nfs/dbraw/zinc/81/42/27/997814227.db2.gz BIKBXDYRJCWFKE-UHFFFAOYSA-N 0 2 385.445 3.221 20 0 GGADLN COc1ccc([C@H]2C[N@@H+]([C@H](C)c3cc(C)c(C(=O)[O-])o3)CCO2)cc1OC ZINC001599539948 997818870 /nfs/dbraw/zinc/81/88/70/997818870.db2.gz AXONCSLSLSLRCS-FZKQIMNGSA-N 0 2 375.421 3.438 20 0 GGADLN COc1ccc([C@H]2C[N@H+]([C@H](C)c3cc(C)c(C(=O)[O-])o3)CCO2)cc1OC ZINC001599539948 997818877 /nfs/dbraw/zinc/81/88/77/997818877.db2.gz AXONCSLSLSLRCS-FZKQIMNGSA-N 0 2 375.421 3.438 20 0 GGADLN COc1ccc([C@@H]2CN(C(=O)OC(C)(C)C)CC[N@@H+]2C/C=C(/C)C(=O)[O-])cc1 ZINC001599540319 997827920 /nfs/dbraw/zinc/82/79/20/997827920.db2.gz NFOIJLVOXAOQCE-BXBOZWQASA-N 0 2 390.480 3.320 20 0 GGADLN COc1ccc([C@@H]2CN(C(=O)OC(C)(C)C)CC[N@H+]2C/C=C(/C)C(=O)[O-])cc1 ZINC001599540319 997827930 /nfs/dbraw/zinc/82/79/30/997827930.db2.gz NFOIJLVOXAOQCE-BXBOZWQASA-N 0 2 390.480 3.320 20 0 GGADLN COc1cc(NC(=O)N[C@@H](Cn2cc[nH+]c2)c2ccccc2)ccc1C(=O)[O-] ZINC001599437893 997880133 /nfs/dbraw/zinc/88/01/33/997880133.db2.gz QXBXGYLDRJIWRJ-KRWDZBQOSA-N 0 2 380.404 3.153 20 0 GGADLN COc1cc(NC(=O)N[C@H](Cn2cc[nH+]c2)c2ccccc2)ccc1C(=O)[O-] ZINC001599437895 997880740 /nfs/dbraw/zinc/88/07/40/997880740.db2.gz QXBXGYLDRJIWRJ-QGZVFWFLSA-N 0 2 380.404 3.153 20 0 GGADLN COc1c(NC(=O)c2cccc(CNc3cc[nH+]c(C)n3)c2)cccc1C(=O)[O-] ZINC001599341532 997931547 /nfs/dbraw/zinc/93/15/47/997931547.db2.gz FJNVJNVIPPHRIT-UHFFFAOYSA-N 0 2 392.415 3.356 20 0 GGADLN CO[C@H]1C[N@H+](CC(=O)Nc2ccc(Oc3cccc(C)c3)cc2)[C@@](C)(C(=O)[O-])C1 ZINC001599131488 997953347 /nfs/dbraw/zinc/95/33/47/997953347.db2.gz NVKJWYBEHOYGCL-DENIHFKCSA-N 0 2 398.459 3.290 20 0 GGADLN CO[C@H]1C[N@@H+](CC(=O)Nc2ccc(Oc3cccc(C)c3)cc2)[C@@](C)(C(=O)[O-])C1 ZINC001599131488 997953360 /nfs/dbraw/zinc/95/33/60/997953360.db2.gz NVKJWYBEHOYGCL-DENIHFKCSA-N 0 2 398.459 3.290 20 0 GGADLN CO[C@@H]1C[N@H+](CC(=O)Nc2ccc(Oc3cccc(C)c3)cc2)[C@@](C)(C(=O)[O-])C1 ZINC001599131490 997953834 /nfs/dbraw/zinc/95/38/34/997953834.db2.gz NVKJWYBEHOYGCL-SIKLNZKXSA-N 0 2 398.459 3.290 20 0 GGADLN CO[C@@H]1C[N@@H+](CC(=O)Nc2ccc(Oc3cccc(C)c3)cc2)[C@@](C)(C(=O)[O-])C1 ZINC001599131490 997953844 /nfs/dbraw/zinc/95/38/44/997953844.db2.gz NVKJWYBEHOYGCL-SIKLNZKXSA-N 0 2 398.459 3.290 20 0 GGADLN CO[C@H]1C[N@H+](CC(=O)Nc2ccc(Oc3cccc(C)c3)cc2)[C@](C)(C(=O)[O-])C1 ZINC001599131489 997954139 /nfs/dbraw/zinc/95/41/39/997954139.db2.gz NVKJWYBEHOYGCL-KNQAVFIVSA-N 0 2 398.459 3.290 20 0 GGADLN CO[C@H]1C[N@@H+](CC(=O)Nc2ccc(Oc3cccc(C)c3)cc2)[C@](C)(C(=O)[O-])C1 ZINC001599131489 997954153 /nfs/dbraw/zinc/95/41/53/997954153.db2.gz NVKJWYBEHOYGCL-KNQAVFIVSA-N 0 2 398.459 3.290 20 0 GGADLN COc1cc(OC)cc([C@@H](C(=O)[O-])[N@@H+]2CCc3c(ncn3-c3ccccc3)C2)c1 ZINC001599450833 998095136 /nfs/dbraw/zinc/09/51/36/998095136.db2.gz LFZFGZMFJOOPOX-NRFANRHFSA-N 0 2 393.443 3.074 20 0 GGADLN COc1cc(OC)cc([C@@H](C(=O)[O-])[N@H+]2CCc3c(ncn3-c3ccccc3)C2)c1 ZINC001599450833 998095146 /nfs/dbraw/zinc/09/51/46/998095146.db2.gz LFZFGZMFJOOPOX-NRFANRHFSA-N 0 2 393.443 3.074 20 0 GGADLN 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C[C@@H]1CC[N@@H+](CC(=O)N[C@H](c2ccc(F)cc2)C2CCCC2)[C@H](C(=O)[O-])C1 ZINC001594414900 999552199 /nfs/dbraw/zinc/55/21/99/999552199.db2.gz SASSXLOYBIVHMD-WNYOCNMUSA-N 0 2 376.472 3.358 20 0 GGADLN C[C@@H]1CCc2c(sc(NC(=O)CO[NH+]=C(N)c3ccccc3)c2C(=O)[O-])C1 ZINC001594443505 999631400 /nfs/dbraw/zinc/63/14/00/999631400.db2.gz GQCGNSLYPLGZMG-LLVKDONJSA-N 0 2 387.461 3.056 20 0 GGADLN C[C@@H]1CCc2c(sc(NC(=O)C[N@@H+]3CCCC[C@@]34CCOC4)c2C(=O)[O-])C1 ZINC001594443648 999631402 /nfs/dbraw/zinc/63/14/02/999631402.db2.gz HFNCPERYWRRRJU-XCLFUZPHSA-N 0 2 392.521 3.155 20 0 GGADLN C[C@@H]1CCc2c(sc(NC(=O)C[N@H+]3CCCC[C@@]34CCOC4)c2C(=O)[O-])C1 ZINC001594443648 999631403 /nfs/dbraw/zinc/63/14/03/999631403.db2.gz HFNCPERYWRRRJU-XCLFUZPHSA-N 0 2 392.521 3.155 20 0 GGADLN C[C@H]1CCc2c(sc(NC(=O)C[N@@H+]3CCSC(C)(C)C3)c2C(=O)[O-])C1 ZINC001594444294 999633448 /nfs/dbraw/zinc/63/34/48/999633448.db2.gz OCTYDWOQLXAWQD-NSHDSACASA-N 0 2 382.551 3.337 20 0 GGADLN C[C@H]1CCc2c(sc(NC(=O)C[N@H+]3CCSC(C)(C)C3)c2C(=O)[O-])C1 ZINC001594444294 999633449 /nfs/dbraw/zinc/63/34/49/999633449.db2.gz OCTYDWOQLXAWQD-NSHDSACASA-N 0 2 382.551 3.337 20 0 GGADLN Cc1cnn(C[C@@H]([NH2+]Cc2ccc(-c3nc4ccccc4s3)o2)C(=O)[O-])c1 ZINC000426724268 1126082909 /nfs/dbraw/zinc/08/29/09/1126082909.db2.gz QVGXYTYSOPBWEE-OAHLLOKOSA-N 0 2 382.445 3.304 20 0 GGADLN Cc1cnn(C[C@H]([NH2+]Cc2ccc(-c3nc4ccccc4s3)o2)C(=O)[O-])c1 ZINC000426724267 1126082964 /nfs/dbraw/zinc/08/29/64/1126082964.db2.gz QVGXYTYSOPBWEE-HNNXBMFYSA-N 0 2 382.445 3.304 20 0 GGADLN CC(C)c1nc(C[NH2+][C@@H](Cc2ccc3c(c2)OCCCO3)C(=O)[O-])cs1 ZINC001339024545 1126181051 /nfs/dbraw/zinc/18/10/51/1126181051.db2.gz KOVYOVPJYVPSRM-HNNXBMFYSA-N 0 2 376.478 3.213 20 0 GGADLN O=C([O-])[C@@H](Cc1ccc(F)cc1)[NH2+]Cc1nc(-c2cccc(Cl)c2)no1 ZINC001601659864 1126224296 /nfs/dbraw/zinc/22/42/96/1126224296.db2.gz LRSFVAXIJUWNLB-OAHLLOKOSA-N 0 2 375.787 3.315 20 0 GGADLN CCOC(=O)c1ncc(C[NH2+][C@@](CC)(C(=O)[O-])c2ccc(Cl)cc2)s1 ZINC001605582592 1126230304 /nfs/dbraw/zinc/23/03/04/1126230304.db2.gz LKKJNHPBDUSXBV-QGZVFWFLSA-N 0 2 382.869 3.453 20 0 GGADLN COc1cccc(C[C@@H]([NH2+]Cc2nc(C)c(Br)s2)C(=O)[O-])c1 ZINC001607321459 1126233180 /nfs/dbraw/zinc/23/31/80/1126233180.db2.gz HHBFBDOJCXFNSD-GFCCVEGCSA-N 0 2 385.283 3.008 20 0 GGADLN O=C([O-])[C@@H](Cc1ccc(F)cc1)[NH2+]Cc1nc(-c2ccc(Cl)cc2)no1 ZINC001608540804 1126236764 /nfs/dbraw/zinc/23/67/64/1126236764.db2.gz PHOZNLZLCVGSRR-OAHLLOKOSA-N 0 2 375.787 3.315 20 0 GGADLN O=C([O-])[C@H](Cc1ccccc1)[NH2+]Cc1csc(CC(=O)Nc2ccccc2)n1 ZINC001608371331 1126236292 /nfs/dbraw/zinc/23/62/92/1126236292.db2.gz GTOVDYAFHQXDMS-SFHVURJKSA-N 0 2 395.484 3.110 20 0 GGADLN COC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)OC(=O)c2ccc3ncsc3c2)c1C ZINC000004546748 204052340 /nfs/dbraw/zinc/05/23/40/204052340.db2.gz XICAJUZVTIBBRF-LLVKDONJSA-N 0 2 386.429 3.456 20 0 GGADLN CC(=O)c1ccc(OCCCC(=O)OCC(=O)c2ccc3c(c2)OCCO3)cc1 ZINC000004549366 204052451 /nfs/dbraw/zinc/05/24/51/204052451.db2.gz MBBVEWYTKGIIEP-UHFFFAOYSA-N 0 2 398.411 3.246 20 0 GGADLN COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)OC(=O)c2ccc3ncsc3c2)c1C ZINC000004546751 204052491 /nfs/dbraw/zinc/05/24/91/204052491.db2.gz XICAJUZVTIBBRF-NSHDSACASA-N 0 2 386.429 3.456 20 0 GGADLN Cc1cc(NS(=O)(=O)c2ccc(NC(=O)CC(C)(C)C)cc2)nc(C)n1 ZINC000006509047 204181512 /nfs/dbraw/zinc/18/15/12/204181512.db2.gz WYHZCSIRLQSMGC-UHFFFAOYSA-N 0 2 376.482 3.269 20 0 GGADLN CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)Cc1ccc(Cl)cc1Cl ZINC000040025199 205047305 /nfs/dbraw/zinc/04/73/05/205047305.db2.gz YIJNWHDFASDXDI-UHFFFAOYSA-N 0 2 382.272 3.493 20 0 GGADLN CC(C)(C)c1ncc(NS(=O)(=O)c2ccccc2OC(F)(F)F)cn1 ZINC000063850275 205187873 /nfs/dbraw/zinc/18/78/73/205187873.db2.gz HHZMMWWMIMXHSZ-UHFFFAOYSA-N 0 2 375.372 3.474 20 0 GGADLN CC(=O)N1C=Cc2ccccc2[C@@H]1CC(=O)Nc1ccc(-c2nc(=O)o[nH]2)cc1 ZINC000058180903 205167978 /nfs/dbraw/zinc/16/79/78/205167978.db2.gz KEFRMLFPUYVANZ-SFHVURJKSA-N 0 2 390.399 3.345 20 0 GGADLN O=S(=O)(Nc1ccc(Cl)c(CN2CCOCC2)c1)c1ccccc1F ZINC000225478393 206051402 /nfs/dbraw/zinc/05/14/02/206051402.db2.gz GCIYHSKHMKEFCR-UHFFFAOYSA-N 0 2 384.860 3.112 20 0 GGADLN CCOC(=O)c1ccsc1NS(=O)(=O)c1ccc(Br)cc1 ZINC000040692341 564428119 /nfs/dbraw/zinc/42/81/19/564428119.db2.gz YSLMYDAGMQHBAY-UHFFFAOYSA-N 0 2 390.280 3.488 20 0 GGADLN C[S@](=O)Cc1cccc(NS(=O)(=O)c2ccc(Br)s2)c1 ZINC000115313058 564190368 /nfs/dbraw/zinc/19/03/68/564190368.db2.gz UBPIGBRHRAJJMY-LJQANCHMSA-N 0 2 394.337 3.190 20 0 GGADLN C[S@](=O)Cc1cccc(NS(=O)(=O)c2sccc2Br)c1 ZINC000115313095 564190946 /nfs/dbraw/zinc/19/09/46/564190946.db2.gz KBBPOVRSYFQBOL-LJQANCHMSA-N 0 2 394.337 3.190 20 0 GGADLN O=S(=O)(Nc1cc(Cl)ccc1N1CCOCC1)c1c(F)cccc1F ZINC000003532678 564198242 /nfs/dbraw/zinc/19/82/42/564198242.db2.gz UJKUOFSQQDXOMQ-UHFFFAOYSA-N 0 2 388.823 3.256 20 0 GGADLN O=S(=O)(Nc1cnn(Cc2ccncc2)c1)c1cc(Cl)ccc1Cl ZINC000116430421 564210602 /nfs/dbraw/zinc/21/06/02/564210602.db2.gz YXVSCXJTJCGANW-UHFFFAOYSA-N 0 2 383.260 3.434 20 0 GGADLN O=C1CCc2cc(S(=O)(=O)Nc3ccc4scnc4c3)c(F)cc2N1 ZINC000116569372 564212372 /nfs/dbraw/zinc/21/23/72/564212372.db2.gz LGCSKKBYUIZPPM-UHFFFAOYSA-N 0 2 377.422 3.121 20 0 GGADLN O=C1NCCc2ccc(S(=O)(=O)Nc3nc4cc(Cl)ccc4s3)cc21 ZINC000116600066 564213274 /nfs/dbraw/zinc/21/32/74/564213274.db2.gz XVRMXJRHZZYWHX-UHFFFAOYSA-N 0 2 393.877 3.036 20 0 GGADLN CN(C)c1ccc(NS(=O)(=O)c2cc(Br)ccc2Cl)nc1 ZINC000116602367 564213304 /nfs/dbraw/zinc/21/33/04/564213304.db2.gz XBSDFRVWNYGSEZ-UHFFFAOYSA-N 0 2 390.690 3.364 20 0 GGADLN Cc1c(CS(C)(=O)=O)cccc1NS(=O)(=O)c1ccc(Cl)cc1F ZINC000116711335 564214999 /nfs/dbraw/zinc/21/49/99/564214999.db2.gz FWGDSXLDROFMPB-UHFFFAOYSA-N 0 2 391.873 3.133 20 0 GGADLN O=S(=O)(Nc1cnn(CC(F)F)c1)c1ccc(OC(F)F)c(Cl)c1 ZINC000116710393 564215074 /nfs/dbraw/zinc/21/50/74/564215074.db2.gz KZNVSHKASKYEBL-UHFFFAOYSA-N 0 2 387.742 3.204 20 0 GGADLN Cc1ccc(S(=O)(=O)Nc2cnn(CC(F)F)c2)c(Br)c1 ZINC000116710713 564215092 /nfs/dbraw/zinc/21/50/92/564215092.db2.gz VAXZEZTUWXJLRT-UHFFFAOYSA-N 0 2 380.214 3.020 20 0 GGADLN O=C(Nc1nc(-c2ccc(Br)cc2F)n[nH]1)c1ccc(F)cn1 ZINC000507015022 564216225 /nfs/dbraw/zinc/21/62/25/564216225.db2.gz LRZBWNYZVCKOBS-UHFFFAOYSA-N 0 2 380.152 3.160 20 0 GGADLN CC(C)Cc1nnc(NS(=O)(=O)c2ccc(Br)cc2)s1 ZINC000005909294 564219372 /nfs/dbraw/zinc/21/93/72/564219372.db2.gz KDEAXLBQVBADPX-UHFFFAOYSA-N 0 2 376.301 3.300 20 0 GGADLN COC(=O)c1ccccc1S(=O)(=O)Nc1ccccc1OC(F)(F)F ZINC000005985514 564220565 /nfs/dbraw/zinc/22/05/65/564220565.db2.gz QHPXABPLQCYRAY-UHFFFAOYSA-N 0 2 375.324 3.173 20 0 GGADLN O=S(=O)(Nc1ccc(-c2nc[nH]n2)cc1)c1cc(Br)ccc1F ZINC000117739541 564231294 /nfs/dbraw/zinc/23/12/94/564231294.db2.gz ZCHGBKJZIOPRCJ-UHFFFAOYSA-N 0 2 397.229 3.174 20 0 GGADLN C[S@](=O)c1cccc(NS(=O)(=O)c2sccc2Br)c1 ZINC000117739202 564231324 /nfs/dbraw/zinc/23/13/24/564231324.db2.gz SGXSRQXLAXIPEU-GOSISDBHSA-N 0 2 380.310 3.049 20 0 GGADLN C[S@](=O)c1cccc(NS(=O)(=O)c2cc(Br)ccc2F)c1 ZINC000117739279 564231369 /nfs/dbraw/zinc/23/13/69/564231369.db2.gz YYPVKNWHESZVSL-HXUWFJFHSA-N 0 2 392.271 3.126 20 0 GGADLN COc1cc(NS(=O)(=O)c2ccc(Cl)cc2F)cc(OC)c1OC ZINC000007053879 564232110 /nfs/dbraw/zinc/23/21/10/564232110.db2.gz VRSUJWFGZQAJDQ-UHFFFAOYSA-N 0 2 375.805 3.306 20 0 GGADLN CCOC(=O)c1sc(NS(=O)(=O)c2ccc(OC)c(OC)c2)cc1C ZINC000007419719 564237396 /nfs/dbraw/zinc/23/73/96/564237396.db2.gz ZMCLCRRQTLBDFK-UHFFFAOYSA-N 0 2 385.463 3.051 20 0 GGADLN Cc1cc(S(=O)(=O)Nc2cnn(CC(F)(F)F)c2)ccc1Br ZINC000118301193 564238681 /nfs/dbraw/zinc/23/86/81/564238681.db2.gz LABTWCSIMLTSQG-UHFFFAOYSA-N 0 2 398.204 3.317 20 0 GGADLN O=S(=O)(Nc1cnn(CC(F)(F)F)c1)c1ccccc1OC(F)(F)F ZINC000118301573 564238705 /nfs/dbraw/zinc/23/87/05/564238705.db2.gz GCCYABNFDKVRFJ-UHFFFAOYSA-N 0 2 389.277 3.145 20 0 GGADLN CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)c1ccccc1Br ZINC000010720889 564259915 /nfs/dbraw/zinc/25/99/15/564259915.db2.gz ZMAOTUIUOQRMHP-UHFFFAOYSA-N 0 2 378.251 3.019 20 0 GGADLN CC(=O)Nc1ccc(NS(=O)(=O)c2c(C)noc2C)c(C(F)(F)F)c1 ZINC000011265638 564262639 /nfs/dbraw/zinc/26/26/39/564262639.db2.gz MRBWHUYZPJNHIH-UHFFFAOYSA-N 0 2 377.344 3.069 20 0 GGADLN CS(=O)(=O)c1cccc(NS(=O)(=O)c2c(Cl)cccc2Cl)c1 ZINC000012507891 564268283 /nfs/dbraw/zinc/26/82/83/564268283.db2.gz JIAXOHWBESLCKU-UHFFFAOYSA-N 0 2 380.274 3.198 20 0 GGADLN C[C@@H]1CCC[C@H](C)N1C(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000119402071 564269283 /nfs/dbraw/zinc/26/92/83/564269283.db2.gz GSMZOSJMNDHHCU-BETUJISGSA-N 0 2 379.507 3.347 20 0 GGADLN CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)c1ccc(Br)cc1F ZINC000012763401 564270378 /nfs/dbraw/zinc/27/03/78/564270378.db2.gz ZUEVMOYLMBGRKO-UHFFFAOYSA-N 0 2 396.241 3.158 20 0 GGADLN Cc1n[nH]c(C)c1S(=O)(=O)Nc1ccc2nc(N3CCCC3)sc2c1 ZINC000012652221 564270516 /nfs/dbraw/zinc/27/05/16/564270516.db2.gz BPXIMOCOFZLXNC-UHFFFAOYSA-N 0 2 377.495 3.037 20 0 GGADLN CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)Nc1cccc(Br)c1 ZINC000119431915 564271063 /nfs/dbraw/zinc/27/10/63/564271063.db2.gz POACHESXKNGRST-UHFFFAOYSA-N 0 2 393.266 3.411 20 0 GGADLN O=S(=O)(Nc1cccc(Cl)c1N1CCOCC1)c1cc(F)ccc1F ZINC000014097870 564279304 /nfs/dbraw/zinc/27/93/04/564279304.db2.gz AOAXKJRZIRZOSA-UHFFFAOYSA-N 0 2 388.823 3.256 20 0 GGADLN O=S(=O)(Nc1cccc(Cl)c1N1CCOCC1)c1ccc(F)cc1F ZINC000014097779 564279659 /nfs/dbraw/zinc/27/96/59/564279659.db2.gz VRCXJWDZNNRHAT-UHFFFAOYSA-N 0 2 388.823 3.256 20 0 GGADLN Cc1ccc(C)c(S(=O)(=O)Nc2ncn(Cc3ccc(Cl)cc3)n2)c1 ZINC000014250693 564280307 /nfs/dbraw/zinc/28/03/07/564280307.db2.gz POBMMENJWHEGKW-UHFFFAOYSA-N 0 2 376.869 3.397 20 0 GGADLN Cc1ccc(S(=O)(=O)Nc2ncn(Cc3ccc(Cl)cc3)n2)c(C)c1 ZINC000014250695 564280660 /nfs/dbraw/zinc/28/06/60/564280660.db2.gz CGSGDFDJVKCYFQ-UHFFFAOYSA-N 0 2 376.869 3.397 20 0 GGADLN COc1ccc(S(=O)(=O)Nc2nnc(/C=C/c3ccco3)s2)cc1C ZINC000119756068 564286803 /nfs/dbraw/zinc/28/68/03/564286803.db2.gz HNBPYVBGSRWORX-VMPITWQZSA-N 0 2 377.447 3.419 20 0 GGADLN COCc1ncc(C(=O)Nc2c(O)c(Cl)cc(Cl)c2Cl)c(N)n1 ZINC000474739456 564287564 /nfs/dbraw/zinc/28/75/64/564287564.db2.gz LCNICYDRKWJVFF-UHFFFAOYSA-N 0 2 377.615 3.123 20 0 GGADLN O=S(=O)(Nc1cccc(I)c1)c1ccccc1F ZINC000016130799 564292312 /nfs/dbraw/zinc/29/23/12/564292312.db2.gz IEFFYPIXEGHXNA-UHFFFAOYSA-N 0 2 377.178 3.231 20 0 GGADLN NC(=O)CSc1ccccc1NS(=O)(=O)c1c(Cl)cccc1Cl ZINC000017320167 564298544 /nfs/dbraw/zinc/29/85/44/564298544.db2.gz LYAMFKMZPDTGIW-UHFFFAOYSA-N 0 2 391.301 3.372 20 0 GGADLN O=C(CCC(F)(F)F)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000120047637 564302179 /nfs/dbraw/zinc/30/21/79/564302179.db2.gz XPODWRLRCIPFML-UHFFFAOYSA-N 0 2 379.385 3.225 20 0 GGADLN CC[C@@H](C)C[C@H](C)NC(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000120064392 564302685 /nfs/dbraw/zinc/30/26/85/564302685.db2.gz DBGKKIHHLXWGOC-OLZOCXBDSA-N 0 2 381.523 3.498 20 0 GGADLN CC[C@H](C)C[C@@H](C)NC(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000120064240 564302827 /nfs/dbraw/zinc/30/28/27/564302827.db2.gz DBGKKIHHLXWGOC-QWHCGFSZSA-N 0 2 381.523 3.498 20 0 GGADLN CC[C@@H](C)C[C@@H](C)NC(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000120064086 564302847 /nfs/dbraw/zinc/30/28/47/564302847.db2.gz DBGKKIHHLXWGOC-CHWSQXEVSA-N 0 2 381.523 3.498 20 0 GGADLN CC[C@@H]1CCC[C@@H]1NC(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000120225495 564310951 /nfs/dbraw/zinc/31/09/51/564310951.db2.gz PENWXSMAUYMCJL-DOMZBBRYSA-N 0 2 379.507 3.252 20 0 GGADLN CCOc1ccc(S(=O)(=O)Nc2nc3c(s2)C(=O)CC(C)(C)C3)cc1 ZINC000120232797 564311124 /nfs/dbraw/zinc/31/11/24/564311124.db2.gz DARBGINNMGPJHH-UHFFFAOYSA-N 0 2 380.491 3.498 20 0 GGADLN CCOC(=O)c1cc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2Cl)[nH]n1 ZINC000120264702 564312833 /nfs/dbraw/zinc/31/28/33/564312833.db2.gz NYYCXMAUNOMOCC-UHFFFAOYSA-N 0 2 397.762 3.059 20 0 GGADLN COC(=O)c1sccc1S(=O)(=O)Nc1ccc(Br)cc1C ZINC000022021458 564314299 /nfs/dbraw/zinc/31/42/99/564314299.db2.gz LSBAQBDQNRCBQF-UHFFFAOYSA-N 0 2 390.280 3.406 20 0 GGADLN COCCOc1cc(NS(=O)(=O)c2ccc(Cl)cc2F)ccc1OC ZINC000024956103 564334772 /nfs/dbraw/zinc/33/47/72/564334772.db2.gz WMASZPLTPYLIHT-UHFFFAOYSA-N 0 2 389.832 3.314 20 0 GGADLN 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Cn1cnnc1Sc1ccc(NS(=O)(=O)c2cccs2)cc1Cl ZINC000156536624 565093376 /nfs/dbraw/zinc/09/33/76/565093376.db2.gz RYEIIYLOXJSGIF-UHFFFAOYSA-N 0 2 386.911 3.482 20 0 GGADLN CCOC(=O)c1cc(Cl)cc(S(=O)(=O)Nc2c(C)nn(CC)c2C)c1 ZINC000292020111 565093675 /nfs/dbraw/zinc/09/36/75/565093675.db2.gz ZVMSSIKYCCAXDY-UHFFFAOYSA-N 0 2 385.873 3.151 20 0 GGADLN CC(C)(CNC(=O)c1cc(-c2ccccc2)cc(Cl)c1O)S(C)(=O)=O ZINC000156543176 565094021 /nfs/dbraw/zinc/09/40/21/565094021.db2.gz AKNPOHVHIRYZRW-UHFFFAOYSA-N 0 2 381.881 3.266 20 0 GGADLN CCc1nn(C)c(CC)c1S(=O)(=O)Nc1cc(C(F)(F)F)ccc1O ZINC000156574999 565094926 /nfs/dbraw/zinc/09/49/26/565094926.db2.gz HARINTHERKHMCD-UHFFFAOYSA-N 0 2 377.388 3.070 20 0 GGADLN CCc1nn(C)c(CC)c1S(=O)(=O)Nc1cccc(-c2nccs2)c1 ZINC000156560972 565094977 /nfs/dbraw/zinc/09/49/77/565094977.db2.gz PXFJRFUWBLPOKL-UHFFFAOYSA-N 0 2 376.507 3.469 20 0 GGADLN COCc1cc(C(=O)OC)cc(S(=O)(=O)Nc2ncsc2C(C)C)c1 ZINC000292115891 565098398 /nfs/dbraw/zinc/09/83/98/565098398.db2.gz 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Cc1c(Br)cccc1S(=O)(=O)Nc1ccn(CC(F)(F)F)n1 ZINC000269423157 565189488 /nfs/dbraw/zinc/18/94/88/565189488.db2.gz MJDJSJHQDUMZOL-UHFFFAOYSA-N 0 2 398.204 3.317 20 0 GGADLN O=S(=O)(Nc1cc(Cl)ccn1)c1ccc(OC[C@@H]2CCOC2)c(F)c1 ZINC000185271448 565192003 /nfs/dbraw/zinc/19/20/03/565192003.db2.gz ICEUOXQRCSUDST-LLVKDONJSA-N 0 2 386.832 3.090 20 0 GGADLN CCOCC(C)(C)NC(=O)c1cccc(NS(=O)(=O)c2cccs2)c1 ZINC000293990130 565193058 /nfs/dbraw/zinc/19/30/58/565193058.db2.gz WJYKAEDJYRKEPX-UHFFFAOYSA-N 0 2 382.507 3.094 20 0 GGADLN CC(C)(C)c1ccc(S(=O)(=O)Nc2cccc(N3CCNC3=O)c2)s1 ZINC000269585751 565195447 /nfs/dbraw/zinc/19/54/47/565195447.db2.gz CFBBIRSDTQMRJG-UHFFFAOYSA-N 0 2 379.507 3.376 20 0 GGADLN O=C(CCNS(=O)(=O)c1cccs1)Nc1cc(Cl)c(O)c(Cl)c1 ZINC000159230045 565197734 /nfs/dbraw/zinc/19/77/34/565197734.db2.gz XDOXHAASBYGNNH-UHFFFAOYSA-N 0 2 395.289 3.068 20 0 GGADLN O=C1CCOc2c(NS(=O)(=O)c3ccccc3Br)cccc21 ZINC000371603497 565202370 /nfs/dbraw/zinc/20/23/70/565202370.db2.gz ZNYSGMFUBDPVNW-UHFFFAOYSA-N 0 2 382.235 3.215 20 0 GGADLN O=C(Cc1ccc(NS(=O)(=O)c2cccs2)cc1)N1CCC[C@H]1CF ZINC000294234171 565204012 /nfs/dbraw/zinc/20/40/12/565204012.db2.gz XBBBJCAQHMHIJX-HNNXBMFYSA-N 0 2 382.482 3.052 20 0 GGADLN Cc1ncc(S(=O)(=O)Nc2ccc(C(=O)N3CCC(C)CC3)cc2)s1 ZINC000269990767 565206063 /nfs/dbraw/zinc/20/60/63/565206063.db2.gz URGRKNHYCICDGL-UHFFFAOYSA-N 0 2 379.507 3.124 20 0 GGADLN Cc1nc(NS(=O)(=O)c2cc(Br)cc3c2OCC3)sc1C ZINC000185596438 565209725 /nfs/dbraw/zinc/20/97/25/565209725.db2.gz JASUBYYUUZFQTR-UHFFFAOYSA-N 0 2 389.296 3.258 20 0 GGADLN Cc1cc(Br)c(S(=O)(=O)Nc2nnc(C(F)F)s2)s1 ZINC000270160553 565210291 /nfs/dbraw/zinc/21/02/91/565210291.db2.gz YSNGLDMTVLQZMZ-UHFFFAOYSA-N 0 2 390.256 3.409 20 0 GGADLN CCc1onc(C)c1NS(=O)(=O)c1cc(Br)cc(OC)c1 ZINC000185605619 565210696 /nfs/dbraw/zinc/21/06/96/565210696.db2.gz FDHDJWCYTSOVCB-UHFFFAOYSA-N 0 2 375.244 3.117 20 0 GGADLN CSc1ccc(S(=O)(=O)Nc2cccnc2-n2cccn2)cc1Cl ZINC000185613203 565210774 /nfs/dbraw/zinc/21/07/74/565210774.db2.gz NHVYBVDCRUCMAG-UHFFFAOYSA-N 0 2 380.882 3.443 20 0 GGADLN CSc1ccc(S(=O)(=O)Nc2nc3c(s2)COCC3)cc1Cl ZINC000185619948 565211146 /nfs/dbraw/zinc/21/11/46/565211146.db2.gz YLZFWFONSPTUKI-UHFFFAOYSA-N 0 2 376.912 3.392 20 0 GGADLN O=C(Nc1nncs1)c1cc(Br)c(O)c(Br)c1 ZINC000159590576 565211975 /nfs/dbraw/zinc/21/19/75/565211975.db2.gz HXQUFYMUDLPSOS-UHFFFAOYSA-N 0 2 379.033 3.021 20 0 GGADLN CSc1ccc(S(=O)(=O)Nc2ncn(-c3ccccc3)n2)cc1Cl ZINC000185697314 565216928 /nfs/dbraw/zinc/21/69/28/565216928.db2.gz IGDKRPPCMUJWIG-UHFFFAOYSA-N 0 2 380.882 3.443 20 0 GGADLN COc1cc(Br)c(S(=O)(=O)Nc2nccc(C)n2)cc1Cl ZINC000185695043 565217250 /nfs/dbraw/zinc/21/72/50/565217250.db2.gz KRCVNNOYEBRCRU-UHFFFAOYSA-N 0 2 392.662 3.010 20 0 GGADLN Cc1nc(NS(=O)(=O)c2ccccc2Br)nc2c1CCCC2 ZINC000185719850 565218050 /nfs/dbraw/zinc/21/80/50/565218050.db2.gz WGICEAFOPRDKNW-UHFFFAOYSA-N 0 2 382.283 3.227 20 0 GGADLN O=S(=O)(Nc1nnc(-c2ccsc2)s1)c1cc(F)c(F)c(F)c1 ZINC000159911615 565224270 /nfs/dbraw/zinc/22/42/70/565224270.db2.gz CKMSWSNDQYKEPF-UHFFFAOYSA-N 0 2 377.394 3.485 20 0 GGADLN Cc1c(C(F)(F)F)nn(C)c1NS(=O)(=O)c1cccc(Br)c1 ZINC000185955190 565230853 /nfs/dbraw/zinc/23/08/53/565230853.db2.gz KGELIHPNVDOYHY-UHFFFAOYSA-N 0 2 398.204 3.311 20 0 GGADLN CC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2c(C)c(C(F)(F)F)nn2C)c1 ZINC000185954638 565231316 /nfs/dbraw/zinc/23/13/16/565231316.db2.gz ZRCGYVYBNZQASB-UHFFFAOYSA-N 0 2 395.790 3.404 20 0 GGADLN COc1cc(Br)cc(S(=O)(=O)Nc2nc(C)c(C)s2)c1 ZINC000186091389 565239295 /nfs/dbraw/zinc/23/92/95/565239295.db2.gz RNPOWOXKPFPJMO-UHFFFAOYSA-N 0 2 377.285 3.332 20 0 GGADLN C[C@]1(CCCC(=O)Nc2c(O)c(Cl)cc(Cl)c2Cl)NC(=O)NC1=O ZINC000271165192 565241541 /nfs/dbraw/zinc/24/15/41/565241541.db2.gz SBSDRWDTWGQQRZ-CQSZACIVSA-N 0 2 394.642 3.059 20 0 GGADLN C[C@@]1(CCCC(=O)Nc2c(O)c(Cl)cc(Cl)c2Cl)NC(=O)NC1=O ZINC000271165183 565241676 /nfs/dbraw/zinc/24/16/76/565241676.db2.gz SBSDRWDTWGQQRZ-AWEZNQCLSA-N 0 2 394.642 3.059 20 0 GGADLN O=S(=O)(Nc1nnc(C(F)F)s1)c1ccc(OC(F)(F)F)cc1 ZINC000160483428 565246381 /nfs/dbraw/zinc/24/63/81/565246381.db2.gz VIMLKRXEPQWPGU-UHFFFAOYSA-N 0 2 375.300 3.175 20 0 GGADLN Cc1ccc(Br)cc1NS(=O)(=O)c1cn(C)nc1C(F)(F)F ZINC000295149854 565248320 /nfs/dbraw/zinc/24/83/20/565248320.db2.gz FDFDTWXPOVUSOY-UHFFFAOYSA-N 0 2 398.204 3.311 20 0 GGADLN Cn1cc(S(=O)(=O)Nc2ccccc2NC(C)(C)C)c(C(F)(F)F)n1 ZINC000295169543 565249505 /nfs/dbraw/zinc/24/95/05/565249505.db2.gz GCXQBJDLOZEVKF-UHFFFAOYSA-N 0 2 376.404 3.450 20 0 GGADLN O=S(=O)(Nc1nnc(C2CCOCC2)s1)c1cccc(C(F)(F)F)c1 ZINC000295191364 565250134 /nfs/dbraw/zinc/25/01/34/565250134.db2.gz LBOUGYFOVOUCJE-UHFFFAOYSA-N 0 2 393.412 3.252 20 0 GGADLN COC(=O)c1scc(C)c1S(=O)(=O)Nc1ccc([C@@H]2CCOC2)cc1 ZINC000295184012 565250485 /nfs/dbraw/zinc/25/04/85/565250485.db2.gz JLJAQRIWEAPHNF-CYBMUJFWSA-N 0 2 381.475 3.148 20 0 GGADLN O=S(=O)(Nc1nncs1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000160561886 565250531 /nfs/dbraw/zinc/25/05/31/565250531.db2.gz YPPLSZCGASLKCB-UHFFFAOYSA-N 0 2 377.291 3.377 20 0 GGADLN O=S(=O)(Nc1nnc(C2CCOCC2)s1)c1ccc2c(c1)CCCC2 ZINC000295192741 565250839 /nfs/dbraw/zinc/25/08/39/565250839.db2.gz LLDASNXBKSWJSR-UHFFFAOYSA-N 0 2 379.507 3.112 20 0 GGADLN Cc1cc(C)c(C)c(S(=O)(=O)Nc2nnc(C3CCOCC3)s2)c1C ZINC000295218046 565251606 /nfs/dbraw/zinc/25/16/06/565251606.db2.gz QPFQOSDBGRQSBR-UHFFFAOYSA-N 0 2 381.523 3.467 20 0 GGADLN C[C@@H]([NH2+][C@@H]1CCN(CC[NH+]2CCOCC2)C1)c1cc(Cl)sc1Cl ZINC000372780000 565253912 /nfs/dbraw/zinc/25/39/12/565253912.db2.gz JCDHGJICXANCBV-CHWSQXEVSA-N 0 2 378.369 3.112 20 0 GGADLN C[C@H]([NH2+][C@H]1CCN(CC[NH+]2CCOCC2)C1)c1cc(Cl)sc1Cl ZINC000372780003 565254230 /nfs/dbraw/zinc/25/42/30/565254230.db2.gz JCDHGJICXANCBV-STQMWFEESA-N 0 2 378.369 3.112 20 0 GGADLN COC(=O)C(C)(C)c1csc(NS(=O)(=O)c2cc(F)ccc2Cl)n1 ZINC000295239573 565254353 /nfs/dbraw/zinc/25/43/53/565254353.db2.gz UUNTZUPYORDRSQ-UHFFFAOYSA-N 0 2 392.861 3.187 20 0 GGADLN Cc1cc(S(=O)(=O)Nc2cc(C(C)C)nn2-c2ncccn2)sc1C ZINC000271450636 565254471 /nfs/dbraw/zinc/25/44/71/565254471.db2.gz RTXUFMYRRUMAIC-UHFFFAOYSA-N 0 2 377.495 3.265 20 0 GGADLN CCOC(=O)[C@@H]1CCCc2sc(NS(=O)(=O)Cc3ccccc3)nc21 ZINC000295259932 565254969 /nfs/dbraw/zinc/25/49/69/565254969.db2.gz XZJLKQDLSQYBNC-CYBMUJFWSA-N 0 2 380.491 3.068 20 0 GGADLN CO[C@@H](C)CS(=O)(=O)Nc1ccc(Br)cc1C(F)(F)F ZINC000295272213 565256403 /nfs/dbraw/zinc/25/64/03/565256403.db2.gz JSUPMTFZUORBKV-ZETCQYMHSA-N 0 2 376.194 3.245 20 0 GGADLN O=C(CNC(=O)c1cc(F)c(O)c(F)c1)Nc1cc(Cl)ccc1Cl ZINC000186408855 565259184 /nfs/dbraw/zinc/25/91/84/565259184.db2.gz REPDVGGSUSJRDI-UHFFFAOYSA-N 0 2 375.158 3.346 20 0 GGADLN CC[C@@H]1CCc2nc(NS(=O)(=O)c3c(OC)cccc3OC)sc2C1 ZINC000186393066 565259701 /nfs/dbraw/zinc/25/97/01/565259701.db2.gz CHNXDDXQCWAXSN-LLVKDONJSA-N 0 2 382.507 3.476 20 0 GGADLN CCC(CC)c1nnc(NS(=O)(=O)c2cnn(CC(F)(F)F)c2)s1 ZINC000186436021 565261044 /nfs/dbraw/zinc/26/10/44/565261044.db2.gz AFPUPJHNWUYFCK-UHFFFAOYSA-N 0 2 383.421 3.001 20 0 GGADLN Cc1noc([C@H]2CCCCN2C(=O)c2cc(Br)c(F)cc2O)n1 ZINC000295349403 565261184 /nfs/dbraw/zinc/26/11/84/565261184.db2.gz NZXRNSKYUQZYMD-GFCCVEGCSA-N 0 2 384.205 3.353 20 0 GGADLN CSc1cccc(NS(=O)(=O)c2ccc(CCNC(C)=O)s2)c1C ZINC000271619518 565261256 /nfs/dbraw/zinc/26/12/56/565261256.db2.gz MJUDEIDIDYBLBX-UHFFFAOYSA-N 0 2 384.548 3.258 20 0 GGADLN COc1ccc(-c2nnc(NS(=O)(=O)c3c(C)cccc3F)s2)cc1 ZINC000186497651 565263978 /nfs/dbraw/zinc/26/39/78/565263978.db2.gz ZOYOEUHWJGULLQ-UHFFFAOYSA-N 0 2 379.438 3.462 20 0 GGADLN CC(F)(F)CCNC(=O)Cc1ccc(NS(=O)(=O)c2cccs2)cc1 ZINC000295426876 565265891 /nfs/dbraw/zinc/26/58/91/565265891.db2.gz DJWXTXMEZHKEBS-UHFFFAOYSA-N 0 2 388.461 3.253 20 0 GGADLN CC(C)n1cnnc1CN(C)C(=O)c1cc(Br)cc(Cl)c1O ZINC000295478541 565268298 /nfs/dbraw/zinc/26/82/98/565268298.db2.gz ZNNALOIZAMDIJF-UHFFFAOYSA-N 0 2 387.665 3.253 20 0 GGADLN Cc1ccccc1CS(=O)(=O)Nc1ncn(Cc2ccc(Cl)cc2)n1 ZINC000186598519 565271039 /nfs/dbraw/zinc/27/10/39/565271039.db2.gz WMTRWFBSCRIKIT-UHFFFAOYSA-N 0 2 376.869 3.230 20 0 GGADLN CS[C@@H]1CCN(C(=O)Cc2ccc(NS(=O)(=O)c3cccs3)cc2)C1 ZINC000295545518 565272838 /nfs/dbraw/zinc/27/28/38/565272838.db2.gz LMFPJJPPSRUGQB-OAHLLOKOSA-N 0 2 396.559 3.055 20 0 GGADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)c1cc(Br)cs1 ZINC000186650014 565274466 /nfs/dbraw/zinc/27/44/66/565274466.db2.gz BHOKGTQHFXHRNV-UHFFFAOYSA-N 0 2 393.266 3.138 20 0 GGADLN COc1cc(C)c(Br)cc1S(=O)(=O)Nc1nc(C)c(C)o1 ZINC000272155792 565279744 /nfs/dbraw/zinc/27/97/44/565279744.db2.gz MZFULCFOTKDLJR-UHFFFAOYSA-N 0 2 375.244 3.172 20 0 GGADLN Cn1cc(S(=O)(=O)Nc2cccc(CC(F)(F)F)c2)c(C(F)(F)F)n1 ZINC000295697937 565281331 /nfs/dbraw/zinc/28/13/31/565281331.db2.gz DWTIBQHUQKNSDY-UHFFFAOYSA-N 0 2 387.305 3.345 20 0 GGADLN COc1cc(S(=O)(=O)Nc2c(C)[nH]nc2C(F)F)ccc1Br ZINC000272393896 565286176 /nfs/dbraw/zinc/28/61/76/565286176.db2.gz DGIGHMZSYSSORY-UHFFFAOYSA-N 0 2 396.213 3.228 20 0 GGADLN CCn1cc(NS(=O)(=O)c2cc(Br)cc(C(F)(F)F)c2)cn1 ZINC000161590387 565287304 /nfs/dbraw/zinc/28/73/04/565287304.db2.gz LUWODKSMXOWABJ-UHFFFAOYSA-N 0 2 398.204 3.485 20 0 GGADLN Cc1[nH]nc(C(F)F)c1NS(=O)(=O)c1cc2c(c(Cl)c1)O[C@@H](C)C2 ZINC000272459476 565287749 /nfs/dbraw/zinc/28/77/49/565287749.db2.gz NWLSQBGYMZTFNM-LURJTMIESA-N 0 2 377.800 3.433 20 0 GGADLN Cc1[nH]nc(C(F)F)c1NS(=O)(=O)c1cc2c(c(Cl)c1)O[C@H](C)C2 ZINC000272459478 565288129 /nfs/dbraw/zinc/28/81/29/565288129.db2.gz NWLSQBGYMZTFNM-ZCFIWIBFSA-N 0 2 377.800 3.433 20 0 GGADLN Cc1cc(S(=O)(=O)Nc2cnn(C3CCOCC3)c2C)sc1Cl ZINC000295847183 565289228 /nfs/dbraw/zinc/28/92/28/565289228.db2.gz BQWUZHHBEYZWEF-UHFFFAOYSA-N 0 2 375.903 3.367 20 0 GGADLN C[C@H](Cc1cccc(Cl)c1)C(=O)N(C)Cc1nc(=O)c2sccc2[nH]1 ZINC000161770786 565292742 /nfs/dbraw/zinc/29/27/42/565292742.db2.gz JGWBWZFMSBPHCR-LLVKDONJSA-N 0 2 375.881 3.475 20 0 GGADLN Cn1nc([C@@H]2CCCOC2)cc1NS(=O)(=O)c1c(Cl)ccc(F)c1F ZINC000295945359 565294720 /nfs/dbraw/zinc/29/47/20/565294720.db2.gz LMAKIITUZSLIQC-SECBINFHSA-N 0 2 391.827 3.047 20 0 GGADLN COc1cc(Cl)c(C)cc1NS(=O)(=O)c1cnn(CC(F)(F)F)c1 ZINC000186912907 565295495 /nfs/dbraw/zinc/29/54/95/565295495.db2.gz VQNRTLXFBGQKFZ-UHFFFAOYSA-N 0 2 383.779 3.217 20 0 GGADLN Cc1ccc(NS(=O)(=O)c2cnn(CC(F)(F)F)c2)cc1Br ZINC000186931359 565296669 /nfs/dbraw/zinc/29/66/69/565296669.db2.gz JYACSLPXWLBEFE-UHFFFAOYSA-N 0 2 398.204 3.317 20 0 GGADLN Cc1ccc(Br)cc1NS(=O)(=O)c1cnn(CC(F)(F)F)c1 ZINC000186954437 565297467 /nfs/dbraw/zinc/29/74/67/565297467.db2.gz SDGCOMIWKVHHGV-UHFFFAOYSA-N 0 2 398.204 3.317 20 0 GGADLN O=C(c1cccc(NS(=O)(=O)c2cccs2)c1)N1CCC(CF)CC1 ZINC000296013808 565297520 /nfs/dbraw/zinc/29/75/20/565297520.db2.gz UCWKOKJSHOTXLG-UHFFFAOYSA-N 0 2 382.482 3.371 20 0 GGADLN Cc1cccc(F)c1S(=O)(=O)Nc1ccc(Cl)c(C(=O)NC2CC2)c1 ZINC000186957475 565297641 /nfs/dbraw/zinc/29/76/41/565297641.db2.gz KAWOIJBKMARWAZ-UHFFFAOYSA-N 0 2 382.844 3.481 20 0 GGADLN O=C(c1cc(Cl)cc(Br)c1O)N1CCC(CCCO)CC1 ZINC000272855634 565299096 /nfs/dbraw/zinc/29/90/96/565299096.db2.gz RAAGYJLASPXLSQ-UHFFFAOYSA-N 0 2 376.678 3.433 20 0 GGADLN CSCCc1ccc(NS(=O)(=O)c2cnn(CC(F)(F)F)c2)cc1 ZINC000186982541 565299761 /nfs/dbraw/zinc/29/97/61/565299761.db2.gz OIXWSWFWYYFUGU-UHFFFAOYSA-N 0 2 379.429 3.152 20 0 GGADLN CCCCc1nnc(NS(=O)(=O)c2cnc(-c3ccccc3)nc2)s1 ZINC000186994281 565299905 /nfs/dbraw/zinc/29/99/05/565299905.db2.gz DCBSTPOQIVDBJB-UHFFFAOYSA-N 0 2 375.479 3.139 20 0 GGADLN O=S(=O)(Nc1ccccc1OCC1CC1)c1cnn(CC(F)(F)F)c1 ZINC000186998134 565301686 /nfs/dbraw/zinc/30/16/86/565301686.db2.gz GPMHDDCVLWAENJ-UHFFFAOYSA-N 0 2 375.372 3.035 20 0 GGADLN CCOc1cc(Cl)ccc1NS(=O)(=O)c1cnn(CC(F)(F)F)c1 ZINC000187023089 565302328 /nfs/dbraw/zinc/30/23/28/565302328.db2.gz RIMVTGCNDUHLHA-UHFFFAOYSA-N 0 2 383.779 3.298 20 0 GGADLN COc1cc(N2CCOC(C)(C)C2)ccc1NS(=O)(=O)c1cccs1 ZINC000162042435 565302325 /nfs/dbraw/zinc/30/23/25/565302325.db2.gz PDUVLVOAILVZFF-UHFFFAOYSA-N 0 2 382.507 3.173 20 0 GGADLN O=S(=O)(Nc1ncc(C2CCCCC2)s1)c1cnn([C@H]2CCOC2)c1 ZINC000272956739 565303345 /nfs/dbraw/zinc/30/33/45/565303345.db2.gz YXLOVXUNOMYFSA-ZDUSSCGKSA-N 0 2 382.511 3.150 20 0 GGADLN Cc1c(C(F)(F)F)nn(C)c1NS(=O)(=O)c1c(Cl)ccc(F)c1F ZINC000296133058 565303571 /nfs/dbraw/zinc/30/35/71/565303571.db2.gz ZEYNEYNDZXMCRY-UHFFFAOYSA-N 0 2 389.733 3.480 20 0 GGADLN Cc1cc(Br)cc(S(=O)(=O)Nc2ncn(-c3ccccc3)n2)c1 ZINC000187032489 565304078 /nfs/dbraw/zinc/30/40/78/565304078.db2.gz ANFRNUWNKOJILG-UHFFFAOYSA-N 0 2 393.266 3.139 20 0 GGADLN CSc1c(F)cc(NS(=O)(=O)c2cnn(CC(F)(F)F)c2)cc1F ZINC000187045872 565304790 /nfs/dbraw/zinc/30/47/90/565304790.db2.gz ZCIHHHCIEVBQOM-UHFFFAOYSA-N 0 2 387.355 3.246 20 0 GGADLN CC(=O)NCCc1ccc(S(=O)(=O)Nc2ccc3occ(C)c3c2)s1 ZINC000187078109 565308050 /nfs/dbraw/zinc/30/80/50/565308050.db2.gz HCRCLVMGEXZUKI-UHFFFAOYSA-N 0 2 378.475 3.282 20 0 GGADLN C[C@@H]1CN(C(=O)[C@@H]2C[C@H]2c2ccc(Cl)s2)CC[N@@H+]1C1CC[NH+](C)CC1 ZINC000373904802 565308574 /nfs/dbraw/zinc/30/85/74/565308574.db2.gz JANLEQLNISSGSL-FVQBIDKESA-N 0 2 381.973 3.132 20 0 GGADLN CC(C)OCCS(=O)(=O)Nc1cnn(-c2ccccc2)c1C(F)(F)F ZINC000273209347 565311846 /nfs/dbraw/zinc/31/18/46/565311846.db2.gz PCZLFJGSASITQG-UHFFFAOYSA-N 0 2 377.388 3.058 20 0 GGADLN COc1ccc(-c2nsc(NS(=O)(=O)c3ccccc3F)n2)cc1F ZINC000187146770 565312147 /nfs/dbraw/zinc/31/21/47/565312147.db2.gz CTVAAZFULXVAOL-UHFFFAOYSA-N 0 2 383.401 3.293 20 0 GGADLN Cn1nccc1NS(=O)(=O)c1cc(Br)cc(C(F)(F)F)c1 ZINC000162320008 565312261 /nfs/dbraw/zinc/31/22/61/565312261.db2.gz CTCHBEBEDIBZOP-UHFFFAOYSA-N 0 2 384.177 3.002 20 0 GGADLN COc1ccc(-c2nsc(NS(=O)(=O)c3ccc(C)cc3)n2)cc1F ZINC000187145389 565312479 /nfs/dbraw/zinc/31/24/79/565312479.db2.gz NQEVENORCMXVAT-UHFFFAOYSA-N 0 2 379.438 3.462 20 0 GGADLN COc1ccc(-c2nsc(NS(=O)(=O)c3cccc(C)c3)n2)cc1F ZINC000187145416 565312516 /nfs/dbraw/zinc/31/25/16/565312516.db2.gz LTVNTAJMNNXZCI-UHFFFAOYSA-N 0 2 379.438 3.462 20 0 GGADLN COc1cc(Cl)c(C)cc1NC(=O)C[C@H]1SC(N(C)C2CC2)=NC1=O ZINC000273323195 565316540 /nfs/dbraw/zinc/31/65/40/565316540.db2.gz GUMUVSUQLGWFNO-CQSZACIVSA-N 0 2 381.885 3.078 20 0 GGADLN COc1cc(Cl)c(C)cc1NC(=O)CC1SC(N(C)C2CC2)=NC1=O ZINC000273323195 565316544 /nfs/dbraw/zinc/31/65/44/565316544.db2.gz GUMUVSUQLGWFNO-CQSZACIVSA-N 0 2 381.885 3.078 20 0 GGADLN COc1cc(Cl)c(C)cc1NC(=O)C[C@@H]1SC(N(C)C2CC2)=NC1=O ZINC000273323193 565316606 /nfs/dbraw/zinc/31/66/06/565316606.db2.gz GUMUVSUQLGWFNO-AWEZNQCLSA-N 0 2 381.885 3.078 20 0 GGADLN COc1cc(Cl)c(C)cc1NC(=O)CC1SC(N(C)C2CC2)=NC1=O ZINC000273323193 565316612 /nfs/dbraw/zinc/31/66/12/565316612.db2.gz GUMUVSUQLGWFNO-AWEZNQCLSA-N 0 2 381.885 3.078 20 0 GGADLN Cc1nc(-c2ccc(S(=O)(=O)Nc3cc(C(N)=O)ccc3C)s2)cs1 ZINC000162776842 565328159 /nfs/dbraw/zinc/32/81/59/565328159.db2.gz QHKBPOYCFVJWNJ-UHFFFAOYSA-N 0 2 393.515 3.388 20 0 GGADLN COc1ccc(Cl)cc1S(=O)(=O)Nc1cnn(C2CCOCC2)c1C ZINC000296715334 565330895 /nfs/dbraw/zinc/33/08/95/565330895.db2.gz MKWLSNNIOMQGNV-UHFFFAOYSA-N 0 2 385.873 3.006 20 0 GGADLN COc1cc(C)cc(C)c1S(=O)(=O)Nc1ncc(C2CCOCC2)s1 ZINC000296723899 565332028 /nfs/dbraw/zinc/33/20/28/565332028.db2.gz NGHZLKRPSVRCGZ-UHFFFAOYSA-N 0 2 382.507 3.463 20 0 GGADLN CC(C)(C)c1nnc(NC(=O)C(=O)Nc2cc(Cl)c(O)c(Cl)c2)s1 ZINC000187538931 565339215 /nfs/dbraw/zinc/33/92/15/565339215.db2.gz PVSOTZYNWQAQRT-UHFFFAOYSA-N 0 2 389.264 3.425 20 0 GGADLN CC(C)c1nnc(NS(=O)(=O)c2cc(F)c(Br)cc2F)o1 ZINC000163235373 565339894 /nfs/dbraw/zinc/33/98/94/565339894.db2.gz XSBXKWTZBYOSQK-UHFFFAOYSA-N 0 2 382.186 3.035 20 0 GGADLN O=S(=O)(Nc1ccc(F)nc1)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000187573429 565341812 /nfs/dbraw/zinc/34/18/12/565341812.db2.gz WZKQLHJVDUVTGN-LLVKDONJSA-N 0 2 386.832 3.090 20 0 GGADLN COC(=O)Cc1sc(NS(=O)(=O)CCC2CC2)nc1-c1ccccc1 ZINC000273939736 565346961 /nfs/dbraw/zinc/34/69/61/565346961.db2.gz JYEGQWOCFUPPNO-UHFFFAOYSA-N 0 2 380.491 3.067 20 0 GGADLN C[C@@H](CCS(C)(=O)=O)NC(=O)c1cc(-c2ccccc2)cc(Cl)c1O ZINC000163550033 565348823 /nfs/dbraw/zinc/34/88/23/565348823.db2.gz JSTAGPNTJFYXFU-LBPRGKRZSA-N 0 2 381.881 3.266 20 0 GGADLN Cc1nc(-c2ccc(S(=O)(=O)Nc3ccc4c(c3)CC(=O)N4)s2)cs1 ZINC000163599258 565348870 /nfs/dbraw/zinc/34/88/70/565348870.db2.gz NVCVJMPGEKLDBD-UHFFFAOYSA-N 0 2 391.499 3.475 20 0 GGADLN COC(=O)c1cc(Cl)ccc1S(=O)(=O)Nc1cnn([C@H](C)C2CC2)c1 ZINC000187726361 565350779 /nfs/dbraw/zinc/35/07/79/565350779.db2.gz BSCIFMFYUCIYMJ-SNVBAGLBSA-N 0 2 383.857 3.095 20 0 GGADLN COC(=O)c1ccsc1NS(=O)(=O)Cc1ccccc1C(F)(F)F ZINC000187745799 565352788 /nfs/dbraw/zinc/35/27/88/565352788.db2.gz WDQFGZTZORRKGG-UHFFFAOYSA-N 0 2 379.381 3.495 20 0 GGADLN C[C@@H](NC(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1)C1CCC1 ZINC000164127802 565356175 /nfs/dbraw/zinc/35/61/75/565356175.db2.gz FCHABHLIDAFCTN-LLVKDONJSA-N 0 2 380.495 3.254 20 0 GGADLN C[C@H](NC(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1)C1CCC1 ZINC000164127692 565356730 /nfs/dbraw/zinc/35/67/30/565356730.db2.gz FCHABHLIDAFCTN-NSHDSACASA-N 0 2 380.495 3.254 20 0 GGADLN O=S(=O)(Nc1cccc(-c2nc([C@@H]3CCCO3)no2)c1)c1cccs1 ZINC000274121135 565357599 /nfs/dbraw/zinc/35/75/99/565357599.db2.gz JXHQEXLGWKLPHM-ZDUSSCGKSA-N 0 2 377.447 3.450 20 0 GGADLN COC[C@H](C)n1ccc(NS(=O)(=O)c2ccc(F)cc2C(F)(F)F)n1 ZINC000187949725 565365166 /nfs/dbraw/zinc/36/51/66/565365166.db2.gz YLASXCRYDIQPOX-VIFPVBQESA-N 0 2 381.351 3.049 20 0 GGADLN COC[C@H](C)n1ccc(NS(=O)(=O)c2ccc(SC)c(Cl)c2)n1 ZINC000187958638 565366172 /nfs/dbraw/zinc/36/61/72/565366172.db2.gz DVZMIMFOVFVZHV-JTQLQIEISA-N 0 2 375.903 3.267 20 0 GGADLN COC[C@@H](C)n1ccc(NS(=O)(=O)c2ccc(C)c(C(F)(F)F)c2)n1 ZINC000187967192 565366420 /nfs/dbraw/zinc/36/64/20/565366420.db2.gz KKTQAIWFPNPMQM-LLVKDONJSA-N 0 2 377.388 3.219 20 0 GGADLN O=S(=O)(Nc1ncccc1N1CCOCC1)c1cccc(Cl)c1Cl ZINC000375071476 565366736 /nfs/dbraw/zinc/36/67/36/565366736.db2.gz ULSCXQQNLYAZNS-UHFFFAOYSA-N 0 2 388.276 3.026 20 0 GGADLN O=S(=O)(Nc1cnc2c(c1)COCC2)c1ccc(Cl)c(F)c1Cl ZINC000375074538 565367002 /nfs/dbraw/zinc/36/70/02/565367002.db2.gz MURXRFPAXGUQJJ-UHFFFAOYSA-N 0 2 377.224 3.401 20 0 GGADLN CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)Nc1nc(C(C)(C)C)ns1 ZINC000274334003 565367782 /nfs/dbraw/zinc/36/77/82/565367782.db2.gz JRVRGGYEVMSRNQ-UHFFFAOYSA-N 0 2 378.483 3.210 20 0 GGADLN CCC[C@H]1CCc2nc(NS(=O)(=O)c3cnn(CC(F)F)c3)sc2C1 ZINC000188019030 565370786 /nfs/dbraw/zinc/37/07/86/565370786.db2.gz VSZZRCVPLMNFEW-JTQLQIEISA-N 0 2 390.481 3.311 20 0 GGADLN Cc1ccc(NS(=O)(=O)c2cc(Cl)ccc2OC[C@H]2CCOC2)nc1 ZINC000188028660 565372526 /nfs/dbraw/zinc/37/25/26/565372526.db2.gz ZQLMMVIOVLUEMT-ZDUSSCGKSA-N 0 2 382.869 3.260 20 0 GGADLN Cn1cnnc1-c1cccc(NS(=O)(=O)c2c(Cl)ccc(F)c2F)c1 ZINC000375188632 565373900 /nfs/dbraw/zinc/37/39/00/565373900.db2.gz PZTIQGHQISFEMM-UHFFFAOYSA-N 0 2 384.795 3.215 20 0 GGADLN O=C(CSc1n[nH]c(=O)[nH]1)Nc1ccc(Br)c(C(F)(F)F)c1 ZINC000188056486 565374902 /nfs/dbraw/zinc/37/49/02/565374902.db2.gz WETKPJXHHKTSGY-UHFFFAOYSA-N 0 2 397.176 3.022 20 0 GGADLN Cc1c2nc(NS(=O)(=O)c3cnn(CC(F)F)c3)sc2ccc1F ZINC000188078611 565377041 /nfs/dbraw/zinc/37/70/41/565377041.db2.gz DBFSZAJIPHWJSM-UHFFFAOYSA-N 0 2 376.385 3.006 20 0 GGADLN O=S(=O)(Nc1cccc(Cl)n1)c1ccc(OC[C@@H]2CCOC2)c(F)c1 ZINC000274743983 565379294 /nfs/dbraw/zinc/37/92/94/565379294.db2.gz MCMSCCULPYVJHP-LLVKDONJSA-N 0 2 386.832 3.090 20 0 GGADLN CC(C)Oc1cc(F)ccc1NS(=O)(=O)c1cnn(CC(F)(F)F)c1 ZINC000274751600 565379644 /nfs/dbraw/zinc/37/96/44/565379644.db2.gz OIVVYSCKSBNMFT-UHFFFAOYSA-N 0 2 381.351 3.173 20 0 GGADLN CC[C@H](C)Oc1cccc(NS(=O)(=O)c2cnn(CC(F)(F)F)c2)c1 ZINC000274767192 565380258 /nfs/dbraw/zinc/38/02/58/565380258.db2.gz SWLGTMRYFCXRSG-NSHDSACASA-N 0 2 377.388 3.424 20 0 GGADLN COC(=O)c1[nH]c(C)cc1NS(=O)(=O)c1cc(Cl)c(OC)cc1Cl ZINC000170633580 565383666 /nfs/dbraw/zinc/38/36/66/565383666.db2.gz GSVXAMRFBBSLAE-UHFFFAOYSA-N 0 2 393.248 3.226 20 0 GGADLN COC(=O)[C@@H](NS(=O)(=O)c1ccc(Cl)c(F)c1Cl)c1ccsc1 ZINC000188187235 565386259 /nfs/dbraw/zinc/38/62/59/565386259.db2.gz OHQYAODBYYQODX-LBPRGKRZSA-N 0 2 398.264 3.387 20 0 GGADLN COc1ccc(Cl)cc1NS(=O)(=O)c1cc2c(cc1Cl)NC(=O)C2 ZINC000170688168 565387138 /nfs/dbraw/zinc/38/71/38/565387138.db2.gz GPNWWXYQHJCXOS-UHFFFAOYSA-N 0 2 387.244 3.297 20 0 GGADLN O=S(=O)(Nc1cccc(F)n1)c1cc(Cl)ccc1OC[C@@H]1CCOC1 ZINC000274985947 565388311 /nfs/dbraw/zinc/38/83/11/565388311.db2.gz CKMFMHFWDSEWPR-LLVKDONJSA-N 0 2 386.832 3.090 20 0 GGADLN O=S(=O)(Nc1ccccc1O)c1cc(Cl)ccc1OC[C@H]1CCOC1 ZINC000275011350 565389665 /nfs/dbraw/zinc/38/96/65/565389665.db2.gz NFYNETIJRHVXIK-LBPRGKRZSA-N 0 2 383.853 3.262 20 0 GGADLN Cc1oncc1NS(=O)(=O)c1cc(Cl)ccc1OC[C@H]1CCCCO1 ZINC000275041844 565390237 /nfs/dbraw/zinc/39/02/37/565390237.db2.gz VUYIEURCKJRANG-CYBMUJFWSA-N 0 2 386.857 3.385 20 0 GGADLN O=C(Cc1ccc(F)c(Br)c1)Nc1ccc(-c2nc(=O)o[nH]2)cc1 ZINC000170747377 565390322 /nfs/dbraw/zinc/39/03/22/565390322.db2.gz HTOHQDOTYCBZNB-UHFFFAOYSA-N 0 2 392.184 3.113 20 0 GGADLN CC(C)n1cnc(S(=O)(=O)Nc2nnc(Cc3ccc(Cl)cc3)s2)c1 ZINC000188253531 565390857 /nfs/dbraw/zinc/39/08/57/565390857.db2.gz CHPQNEJQFLDYDQ-UHFFFAOYSA-N 0 2 397.913 3.361 20 0 GGADLN Cc1noc(C)c1S(=O)(=O)Nc1nnc(Cc2ccc(Cl)cc2)s1 ZINC000188254541 565390916 /nfs/dbraw/zinc/39/09/16/565390916.db2.gz FGYOSOSQMJYNDN-UHFFFAOYSA-N 0 2 384.870 3.188 20 0 GGADLN Cc1nc(NS(=O)(=O)c2cc(Cl)ccc2OC[C@@H]2CCOC2)oc1C ZINC000275033630 565391091 /nfs/dbraw/zinc/39/10/91/565391091.db2.gz PVZKRODMRHHGRS-GFCCVEGCSA-N 0 2 386.857 3.161 20 0 GGADLN COC(=O)[C@@H]1CCN(C(=O)c2cc(Br)cc(Cl)c2O)C[C@@H]1C ZINC000188269230 565391673 /nfs/dbraw/zinc/39/16/73/565391673.db2.gz JNSHFHUVACVVAM-WCBMZHEXSA-N 0 2 390.661 3.079 20 0 GGADLN COC(=O)[C@@H]1CCN(C(=O)c2cc(Br)cc(Cl)c2O)C[C@H]1C ZINC000188269201 565392379 /nfs/dbraw/zinc/39/23/79/565392379.db2.gz JNSHFHUVACVVAM-PSASIEDQSA-N 0 2 390.661 3.079 20 0 GGADLN CCCS(=O)(=O)c1ccccc1S[C@@H](C)C(=O)NOCCC(F)(F)F ZINC000275094533 565392816 /nfs/dbraw/zinc/39/28/16/565392816.db2.gz RTPVMRSXGPORKH-NSHDSACASA-N 0 2 399.456 3.351 20 0 GGADLN CCCS(=O)(=O)c1ccccc1S[C@H](C)C(=O)NOCCC(F)(F)F ZINC000275094522 565393198 /nfs/dbraw/zinc/39/31/98/565393198.db2.gz RTPVMRSXGPORKH-LLVKDONJSA-N 0 2 399.456 3.351 20 0 GGADLN O=C1CCCc2cc(S(=O)(=O)Nc3nc4c(s3)CSCC4)ccc2N1 ZINC000375715248 565402121 /nfs/dbraw/zinc/40/21/21/565402121.db2.gz BHUXCPZLFBCSFL-UHFFFAOYSA-N 0 2 395.531 3.008 20 0 GGADLN CC1(C)C[C@@H](O)CCN(C(=O)c2cc(Cl)cc(Br)c2O)C1 ZINC000298364720 565411014 /nfs/dbraw/zinc/41/10/14/565411014.db2.gz LUGICKLJUXJXCP-JTQLQIEISA-N 0 2 376.678 3.431 20 0 GGADLN O=S(=O)(Nc1ccc(OC2COC2)cc1)c1sccc1Br ZINC000188593481 565412055 /nfs/dbraw/zinc/41/20/55/565412055.db2.gz YTHCDRWEOMINLD-UHFFFAOYSA-N 0 2 390.280 3.089 20 0 GGADLN Cc1cc(NS(=O)(=O)c2ccc(Br)s2)n(-c2ccccn2)n1 ZINC000171148067 565412325 /nfs/dbraw/zinc/41/23/25/565412325.db2.gz BHUFTDLXKAMRPB-UHFFFAOYSA-N 0 2 399.295 3.201 20 0 GGADLN COCc1cccc(S(=O)(=O)Nc2nc3c(s2)C(=O)CC(C)(C)C3)c1 ZINC000171147270 565412338 /nfs/dbraw/zinc/41/23/38/565412338.db2.gz VYMYJHVSVBNLSA-UHFFFAOYSA-N 0 2 380.491 3.245 20 0 GGADLN CCOC(=O)c1sc(NS(=O)(=O)c2ccc(F)cc2Cl)nc1C ZINC000171149620 565412431 /nfs/dbraw/zinc/41/24/31/565412431.db2.gz PSNUCCYCIZPJFH-UHFFFAOYSA-N 0 2 378.834 3.222 20 0 GGADLN COc1ccc(S(=O)(=O)Nc2ccnn2Cc2sccc2C)cc1F ZINC000171150681 565412525 /nfs/dbraw/zinc/41/25/25/565412525.db2.gz YURQKKHLIKBSRQ-UHFFFAOYSA-N 0 2 381.454 3.250 20 0 GGADLN CCOC(=O)c1sc(NS(=O)(=O)c2ccccc2C(F)(F)F)nc1C ZINC000171149533 565413012 /nfs/dbraw/zinc/41/30/12/565413012.db2.gz PWFNHWBLUZAJOU-UHFFFAOYSA-N 0 2 394.396 3.448 20 0 GGADLN COCc1cccc(S(=O)(=O)Nc2nc(CN3CCCCC3)cs2)c1 ZINC000171150064 565413151 /nfs/dbraw/zinc/41/31/51/565413151.db2.gz XVUYSBZOHSFJAN-UHFFFAOYSA-N 0 2 381.523 3.076 20 0 GGADLN O=S(=O)(Nc1ccnn1C[C@@H]1CCOC1)c1cccc(Cl)c1Cl ZINC000171156065 565413896 /nfs/dbraw/zinc/41/38/96/565413896.db2.gz HRZCNCUSTSSTCK-JTQLQIEISA-N 0 2 376.265 3.027 20 0 GGADLN O=S(=O)(Nc1ccnn1C[C@@H]1CCOC1)c1c(Cl)cccc1Cl ZINC000171156121 565414366 /nfs/dbraw/zinc/41/43/66/565414366.db2.gz DMGVYWSBYKILLD-JTQLQIEISA-N 0 2 376.265 3.027 20 0 GGADLN CN(C)c1noc(CCC(=O)Nc2c(O)c(Cl)cc(Cl)c2Cl)n1 ZINC000275640519 565422115 /nfs/dbraw/zinc/42/21/15/565422115.db2.gz MRDRLEVWHXTPSR-UHFFFAOYSA-N 0 2 379.631 3.373 20 0 GGADLN CS(=O)(=O)c1cccc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2F)c1 ZINC000171262494 565422580 /nfs/dbraw/zinc/42/25/80/565422580.db2.gz SYUNIHCZYYLUDJ-UHFFFAOYSA-N 0 2 397.371 3.049 20 0 GGADLN O=S(=O)(Nc1ccc2c[nH]nc2c1)c1cc(Br)c(F)cc1F ZINC000171262084 565423126 /nfs/dbraw/zinc/42/31/26/565423126.db2.gz PNRAZSNHFQHTGQ-UHFFFAOYSA-N 0 2 388.193 3.404 20 0 GGADLN O=S(=O)(Nc1ccnn1Cc1ccccn1)c1c(Cl)cccc1Cl ZINC000171343517 565427204 /nfs/dbraw/zinc/42/72/04/565427204.db2.gz MAMLBDBSKVQIME-UHFFFAOYSA-N 0 2 383.260 3.434 20 0 GGADLN O=S(=O)(Nc1ccnn1Cc1ccccn1)c1cc(Cl)cc(Cl)c1 ZINC000171343541 565427240 /nfs/dbraw/zinc/42/72/40/565427240.db2.gz SFYAETPMOAJABC-UHFFFAOYSA-N 0 2 383.260 3.434 20 0 GGADLN C[C@H]([NH2+]C1CCN(CC[NH+]2CCOCC2)CC1)c1cc(Cl)ccc1Cl ZINC000376339996 565432350 /nfs/dbraw/zinc/43/23/50/565432350.db2.gz JEVXCPNDMATCOY-HNNXBMFYSA-N 0 2 386.367 3.441 20 0 GGADLN O=S(=O)(Nc1cnn(Cc2ccccn2)c1)c1ccc(Cl)c(Cl)c1 ZINC000171476799 565433991 /nfs/dbraw/zinc/43/39/91/565433991.db2.gz IIRUZYUFVOTOHD-UHFFFAOYSA-N 0 2 383.260 3.434 20 0 GGADLN Cc1n[nH]c(NC(=O)Cc2csc(-c3cccc(Br)c3)n2)n1 ZINC000171547344 565436986 /nfs/dbraw/zinc/43/69/86/565436986.db2.gz MBQRQHATQJFEEV-UHFFFAOYSA-N 0 2 378.255 3.180 20 0 GGADLN CN(Cc1nc(=O)c2sccc2[nH]1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC000171618257 565440719 /nfs/dbraw/zinc/44/07/19/565440719.db2.gz YGYHXDAGNAINRH-ZFWWWQNUSA-N 0 2 396.299 3.382 20 0 GGADLN O=C(CCc1cc(Br)cs1)Nc1ccc(-c2nc(=O)o[nH]2)cc1 ZINC000171709295 565445685 /nfs/dbraw/zinc/44/56/85/565445685.db2.gz XAAYWIYNLKYLRC-UHFFFAOYSA-N 0 2 394.250 3.425 20 0 GGADLN CCCCCOCC(=O)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000299326834 565447299 /nfs/dbraw/zinc/44/72/99/565447299.db2.gz NFJJEMGIJOWZSL-UHFFFAOYSA-N 0 2 383.495 3.089 20 0 GGADLN O=S(=O)(Nc1ncccc1OC(F)F)c1ccc(OC(F)(F)F)cc1 ZINC000171772751 565449737 /nfs/dbraw/zinc/44/97/37/565449737.db2.gz MYDMWGSNXFAKLX-UHFFFAOYSA-N 0 2 384.282 3.382 20 0 GGADLN O=S(=O)(Nc1ncccc1OC(F)F)c1ccc(Br)cc1 ZINC000171772602 565449789 /nfs/dbraw/zinc/44/97/89/565449789.db2.gz LXLMZUDFXQHUSI-UHFFFAOYSA-N 0 2 379.182 3.246 20 0 GGADLN Cc1cccc(S(=O)(=O)Nc2cc(Br)cnc2-n2cccn2)c1 ZINC000171779480 565450303 /nfs/dbraw/zinc/45/03/03/565450303.db2.gz LAIFYQATLBHFEY-UHFFFAOYSA-N 0 2 393.266 3.139 20 0 GGADLN O=S(=O)(Nc1cccc(C2SCCS2)c1)c1cnn(CC(F)F)c1 ZINC000276504313 565451706 /nfs/dbraw/zinc/45/17/06/565451706.db2.gz CSYGJYBWGMRSFG-UHFFFAOYSA-N 0 2 391.490 3.428 20 0 GGADLN CC(C)c1ccc(Cl)c(S(=O)(=O)Nc2cccnc2-n2cncn2)c1 ZINC000376772989 565454315 /nfs/dbraw/zinc/45/43/15/565454315.db2.gz OCZVDWBAORJYBF-UHFFFAOYSA-N 0 2 377.857 3.240 20 0 GGADLN Cc1cc(S(=O)(=O)Nc2nc3ccc(Br)cn3n2)cc(C)c1F ZINC000189258145 565454581 /nfs/dbraw/zinc/45/45/81/565454581.db2.gz ICWPTWONUDSDDB-UHFFFAOYSA-N 0 2 399.245 3.049 20 0 GGADLN CCn1cc(S(=O)(=O)Nc2c(C)c(C)nn2-c2ccc(Cl)cc2)cn1 ZINC000276605900 565454725 /nfs/dbraw/zinc/45/47/25/565454725.db2.gz GRONADFWRKPAID-UHFFFAOYSA-N 0 2 379.873 3.160 20 0 GGADLN O=C(NC1CCSCC1)c1cccc(NS(=O)(=O)c2cccs2)c1 ZINC000299646848 565457778 /nfs/dbraw/zinc/45/77/78/565457778.db2.gz VJCAVGXPGOWACJ-UHFFFAOYSA-N 0 2 382.532 3.174 20 0 GGADLN O=S(=O)(Nc1ccn(CC(F)(F)F)n1)c1ccc(CC(F)(F)F)cc1 ZINC000189315855 565457809 /nfs/dbraw/zinc/45/78/09/565457809.db2.gz HNJMSDNPEVOGFM-UHFFFAOYSA-N 0 2 387.305 3.351 20 0 GGADLN CCc1c(NS(=O)(=O)c2c(C)noc2C)cnn1-c1cccc(Cl)c1 ZINC000189456227 565465851 /nfs/dbraw/zinc/46/58/51/565465851.db2.gz DJCDSRSTJFCRQT-UHFFFAOYSA-N 0 2 380.857 3.494 20 0 GGADLN CC(C)(NC(=O)C(F)(F)F)C(=O)Nc1ccc(Sc2nncs2)cc1 ZINC000276984433 565470208 /nfs/dbraw/zinc/47/02/08/565470208.db2.gz HRGYGWFSMZDWOC-UHFFFAOYSA-N 0 2 390.412 3.085 20 0 GGADLN CCc1nn(C)cc1NS(=O)(=O)c1cccc(Cl)c1Br ZINC000276989224 565470321 /nfs/dbraw/zinc/47/03/21/565470321.db2.gz ZSCXZBMRBUXYFP-UHFFFAOYSA-N 0 2 378.679 3.199 20 0 GGADLN Cc1ccc(S(=O)(=O)Nc2nc3c(s2)COCC3)cc1C(F)(F)F ZINC000172316154 565477881 /nfs/dbraw/zinc/47/78/81/565477881.db2.gz RDRPULNCCBFFLK-UHFFFAOYSA-N 0 2 378.397 3.344 20 0 GGADLN CC(=O)N1CCCc2ccc(S(=O)(=O)Nc3nc(C(C)C)cs3)cc21 ZINC000172351229 565480302 /nfs/dbraw/zinc/48/03/02/565480302.db2.gz LQSIBBHBEYAXER-UHFFFAOYSA-N 0 2 379.507 3.366 20 0 GGADLN C[C@@H]1CSCCN1C(=O)Cc1ccc(NS(=O)(=O)c2cccs2)cc1 ZINC000172452790 565485737 /nfs/dbraw/zinc/48/57/37/565485737.db2.gz FFVLITDJVXUVGW-CYBMUJFWSA-N 0 2 396.559 3.055 20 0 GGADLN C[C@H](C(=O)Nc1cc(Cl)ccc1Cl)N1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000377584323 565486931 /nfs/dbraw/zinc/48/69/31/565486931.db2.gz OLCWMFPZXOYRME-NXEZZACHSA-N 0 2 384.267 3.024 20 0 GGADLN Cc1cnc(CNC(=O)c2cccc(NS(=O)(=O)c3cccs3)c2)s1 ZINC000172726039 565500824 /nfs/dbraw/zinc/50/08/24/565500824.db2.gz ROUXTAGZRFBOBZ-UHFFFAOYSA-N 0 2 393.515 3.244 20 0 GGADLN CC(C)[C@]1(CO)CCN(C(=O)N=c2nc(-c3cccc(Cl)c3)[nH]s2)C1 ZINC000377847739 565502457 /nfs/dbraw/zinc/50/24/57/565502457.db2.gz PMKWZGAHZDCOLN-QGZVFWFLSA-N 0 2 380.901 3.153 20 0 GGADLN CC(C)[C@]1(CO)CCN(C(=O)c2cc(Br)cc(Cl)c2O)C1 ZINC000378034661 565509204 /nfs/dbraw/zinc/50/92/04/565509204.db2.gz ASCUNEPMYCBNQP-OAHLLOKOSA-N 0 2 376.678 3.289 20 0 GGADLN CCn1nc(C)c(NS(=O)(=O)c2ccc(F)cc2Br)c1C ZINC000172904547 565512240 /nfs/dbraw/zinc/51/22/40/565512240.db2.gz QEDZILWDGFOJOF-UHFFFAOYSA-N 0 2 376.251 3.222 20 0 GGADLN CCn1nc(C)c(NS(=O)(=O)c2cc(Cl)c(NC(C)=O)cc2F)c1C ZINC000172904167 565512352 /nfs/dbraw/zinc/51/23/52/565512352.db2.gz STXMGQXEPYHZQJ-UHFFFAOYSA-N 0 2 388.852 3.072 20 0 GGADLN Cc1nnc(-c2cccc(NS(=O)(=O)c3ccc(Cl)nc3Cl)c2)n1C ZINC000378197003 565515826 /nfs/dbraw/zinc/51/58/26/565515826.db2.gz SYMLKRPINPWISU-UHFFFAOYSA-N 0 2 398.275 3.293 20 0 GGADLN CC(=O)Nc1cc(F)c(S(=O)(=O)NCc2ccc(C)cc2)c(F)c1Cl ZINC000172967452 565516058 /nfs/dbraw/zinc/51/60/58/565516058.db2.gz LZWFJPLFXLZKMK-UHFFFAOYSA-N 0 2 388.823 3.364 20 0 GGADLN CC(=O)Nc1cc(F)c(S(=O)(=O)NCc2ccc(F)cc2)c(F)c1Cl ZINC000172965481 565516150 /nfs/dbraw/zinc/51/61/50/565516150.db2.gz FPQZTLNUJSWIIF-UHFFFAOYSA-N 0 2 392.786 3.194 20 0 GGADLN CC(=O)Nc1cc(F)c(S(=O)(=O)NCc2ccccc2C)c(F)c1Cl ZINC000172982095 565517291 /nfs/dbraw/zinc/51/72/91/565517291.db2.gz JKWKQFZFBDOXQS-UHFFFAOYSA-N 0 2 388.823 3.364 20 0 GGADLN CC(=O)Nc1cc(F)c(S(=O)(=O)N[C@H]2CCC[C@@H](C)C2)c(F)c1Cl ZINC000173018854 565520219 /nfs/dbraw/zinc/52/02/19/565520219.db2.gz UHYNNFQSAKNCNF-SCZZXKLOSA-N 0 2 380.844 3.434 20 0 GGADLN CC(=O)Nc1cc(F)c(S(=O)(=O)N[C@@H]2CCC[C@@H](C)C2)c(F)c1Cl ZINC000173018864 565520446 /nfs/dbraw/zinc/52/04/46/565520446.db2.gz UHYNNFQSAKNCNF-PSASIEDQSA-N 0 2 380.844 3.434 20 0 GGADLN CS(=O)(=O)c1ccccc1NS(=O)(=O)Cc1c(Cl)cccc1Cl ZINC000190423138 565531002 /nfs/dbraw/zinc/53/10/02/565531002.db2.gz OKBYVIMKIJYBAB-UHFFFAOYSA-N 0 2 394.301 3.339 20 0 GGADLN Cc1cc(N2CC[C@H](Nc3nc(C(C)C)no3)C2=O)ccc1Br ZINC000302151437 565533549 /nfs/dbraw/zinc/53/35/49/565533549.db2.gz BSOJCWCDHLKWQL-ZDUSSCGKSA-N 0 2 379.258 3.481 20 0 GGADLN CC(=O)Nc1cc(F)c(S(=O)(=O)NC23CCC(CC2)C3)c(F)c1Cl ZINC000378644921 565537615 /nfs/dbraw/zinc/53/76/15/565537615.db2.gz DDSPLORNDZDVGZ-UHFFFAOYSA-N 0 2 378.828 3.188 20 0 GGADLN COc1ccc(NC(C)=O)cc1S(=O)(=O)Nc1nc(C2CCC2)cs1 ZINC000278123234 565540546 /nfs/dbraw/zinc/54/05/46/565540546.db2.gz BFKSANOMCPWJQO-UHFFFAOYSA-N 0 2 381.479 3.178 20 0 GGADLN Cc1cc(Br)c(S(=O)(=O)Nc2nnc(CC(C)C)o2)s1 ZINC000278123218 565540819 /nfs/dbraw/zinc/54/08/19/565540819.db2.gz BFFYCASNVAPGLD-UHFFFAOYSA-N 0 2 380.289 3.201 20 0 GGADLN C[C@H]1CCC[N@H+](CC(=O)Nc2ccc(Br)cc2Cl)[C@H]1C(=O)[O-] ZINC000389141762 565553073 /nfs/dbraw/zinc/55/30/73/565553073.db2.gz SHABYDSVJNMCTC-LKFCYVNXSA-N 0 2 389.677 3.226 20 0 GGADLN C[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(Br)cc2Cl)[C@H]1C(=O)[O-] ZINC000389141762 565553077 /nfs/dbraw/zinc/55/30/77/565553077.db2.gz SHABYDSVJNMCTC-LKFCYVNXSA-N 0 2 389.677 3.226 20 0 GGADLN C[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(Br)cc2Cl)[C@@H]1C(=O)[O-] ZINC000389141763 565553396 /nfs/dbraw/zinc/55/33/96/565553396.db2.gz SHABYDSVJNMCTC-OTYXRUKQSA-N 0 2 389.677 3.226 20 0 GGADLN C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(Br)cc2Cl)[C@@H]1C(=O)[O-] ZINC000389141763 565553402 /nfs/dbraw/zinc/55/34/02/565553402.db2.gz SHABYDSVJNMCTC-OTYXRUKQSA-N 0 2 389.677 3.226 20 0 GGADLN C[C@@H]1CCC[N@H+](CC(=O)Nc2ccc(Br)cc2Cl)[C@H]1C(=O)[O-] ZINC000389141765 565553524 /nfs/dbraw/zinc/55/35/24/565553524.db2.gz SHABYDSVJNMCTC-YMTOWFKASA-N 0 2 389.677 3.226 20 0 GGADLN C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(Br)cc2Cl)[C@H]1C(=O)[O-] ZINC000389141765 565553528 /nfs/dbraw/zinc/55/35/28/565553528.db2.gz SHABYDSVJNMCTC-YMTOWFKASA-N 0 2 389.677 3.226 20 0 GGADLN Cc1cc(S(=O)(=O)Nc2ccc3c(c2)N(C(N)=O)CCC3)sc1Cl ZINC000278381849 565554351 /nfs/dbraw/zinc/55/43/51/565554351.db2.gz HTRSBVKARPZHBH-UHFFFAOYSA-N 0 2 385.898 3.342 20 0 GGADLN CC(C)(C)c1nnc(NS(=O)(=O)c2ccc(OCC(F)(F)F)cc2)o1 ZINC000278392127 565555601 /nfs/dbraw/zinc/55/56/01/565555601.db2.gz MZTSIAMESCWWDD-UHFFFAOYSA-N 0 2 379.360 3.109 20 0 GGADLN COC(=O)c1scc(C)c1S(=O)(=O)Nc1nnc(C2CCCCC2)o1 ZINC000278446707 565558656 /nfs/dbraw/zinc/55/86/56/565558656.db2.gz XBZJJSIPPSLZHD-UHFFFAOYSA-N 0 2 385.467 3.075 20 0 GGADLN COC(=O)c1sccc1S(=O)(=O)Nc1ccc(Cl)cc1-n1cccn1 ZINC000190840527 565562850 /nfs/dbraw/zinc/56/28/50/565562850.db2.gz UVGIKXVEAFYHDJ-UHFFFAOYSA-N 0 2 397.865 3.175 20 0 GGADLN COc1cc(C)cc(C)c1S(=O)(=O)Nc1nnc(CC(F)(F)F)s1 ZINC000278522418 565563667 /nfs/dbraw/zinc/56/36/67/565563667.db2.gz SHOPQJIKTDRWRX-UHFFFAOYSA-N 0 2 381.401 3.069 20 0 GGADLN O=S(=O)(Nc1noc(C2CC2)n1)c1cccc(Cl)c1Br ZINC000278518662 565563818 /nfs/dbraw/zinc/56/38/18/565563818.db2.gz GDAYHCIJHACNED-UHFFFAOYSA-N 0 2 378.635 3.164 20 0 GGADLN CCOC(=O)c1c(C)c(C)sc1NS(=O)(=O)c1ccc2c(c1)CCO2 ZINC000392194119 565564372 /nfs/dbraw/zinc/56/43/72/565564372.db2.gz QEUCKRXIJNPEDP-UHFFFAOYSA-N 0 2 381.475 3.277 20 0 GGADLN COC(=O)c1cc(Cl)ccc1S(=O)(=O)Nc1cccc2ccn(C)c21 ZINC000190849237 565564454 /nfs/dbraw/zinc/56/44/54/565564454.db2.gz HDLYAGDADPPGCC-UHFFFAOYSA-N 0 2 378.837 3.419 20 0 GGADLN COC(=O)c1ccc(Cl)cc1S(=O)(=O)Nc1cccc2ccn(C)c21 ZINC000190851453 565564555 /nfs/dbraw/zinc/56/45/55/565564555.db2.gz LMOLGJSGUDARDP-UHFFFAOYSA-N 0 2 378.837 3.419 20 0 GGADLN O=S(=O)(Cc1ccc(F)c(Cl)c1)Nc1nnc(CC(F)(F)F)s1 ZINC000278539796 565564546 /nfs/dbraw/zinc/56/45/46/565564546.db2.gz WYDKBUMKHXZYNA-UHFFFAOYSA-N 0 2 389.783 3.377 20 0 GGADLN CCOC(=O)c1sc(NS(=O)(=O)c2ccc3c(c2)CCCC3)nc1C ZINC000303142236 565567711 /nfs/dbraw/zinc/56/77/11/565567711.db2.gz LBBUFMMHJWXNRB-UHFFFAOYSA-N 0 2 380.491 3.308 20 0 GGADLN COc1ccccc1-c1n[nH]c(NC(=O)c2cc(Br)ccc2O)n1 ZINC000303163226 565569017 /nfs/dbraw/zinc/56/90/17/565569017.db2.gz HJEPABVCNWCBTE-UHFFFAOYSA-N 0 2 389.209 3.201 20 0 GGADLN CC1(C(=O)[O-])CC[NH+](Cc2c(Br)cncc2Br)CC1 ZINC000394105501 565569825 /nfs/dbraw/zinc/56/98/25/565569825.db2.gz HAVCJMVPGKNQDR-UHFFFAOYSA-N 0 2 392.091 3.293 20 0 GGADLN COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)Nc1cc(C(C)C)n[nH]1 ZINC000190993203 565576354 /nfs/dbraw/zinc/57/63/54/565576354.db2.gz ZINLYAPOTKGNGB-LLVKDONJSA-N 0 2 387.889 3.401 20 0 GGADLN O=S(=O)(Nc1cccnn1)c1cc(Br)cc(C(F)(F)F)c1 ZINC000191040112 565579343 /nfs/dbraw/zinc/57/93/43/565579343.db2.gz SAILGWPMXHCWIY-UHFFFAOYSA-N 0 2 382.161 3.059 20 0 GGADLN COC(=O)c1scc(C)c1S(=O)(=O)Nc1cc(C2CCCC2)nn1C ZINC000191092580 565582084 /nfs/dbraw/zinc/58/20/84/565582084.db2.gz XUZMBSFGGQDIKA-UHFFFAOYSA-N 0 2 383.495 3.035 20 0 GGADLN Cn1nc([C@@H]2CCCO2)cc1NS(=O)(=O)c1c(Cl)cccc1Cl ZINC000278893660 565584223 /nfs/dbraw/zinc/58/42/23/565584223.db2.gz PZDZMOLIJMRZKF-LBPRGKRZSA-N 0 2 376.265 3.379 20 0 GGADLN Cn1nc([C@H]2CCCO2)cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1 ZINC000278940703 565586734 /nfs/dbraw/zinc/58/67/34/565586734.db2.gz WFXJBTBAVCXMSE-CYBMUJFWSA-N 0 2 376.265 3.379 20 0 GGADLN CC1(C(=O)[O-])CC[NH+](CC(=O)Nc2ccc(Br)cc2Cl)CC1 ZINC000316370117 565591655 /nfs/dbraw/zinc/59/16/55/565591655.db2.gz HQLASPHKXDLETM-UHFFFAOYSA-N 0 2 389.677 3.228 20 0 GGADLN CCn1nc(NS(=O)(=O)c2ccc(OC(F)F)c(F)c2)cc1C1CC1 ZINC000279074329 565593062 /nfs/dbraw/zinc/59/30/62/565593062.db2.gz KRRAWGJJGHVFEG-UHFFFAOYSA-N 0 2 375.372 3.322 20 0 GGADLN CC1(C)CCC(CC(=O)N2CCc3nc(NS(C)(=O)=O)sc3C2)CC1 ZINC000408063961 565593353 /nfs/dbraw/zinc/59/33/53/565593353.db2.gz XXVMURINDZOFPG-UHFFFAOYSA-N 0 2 385.555 3.006 20 0 GGADLN O=S(=O)(NC1(C(F)(F)F)CCOCC1)c1cc(Cl)sc1Cl ZINC000408220094 565599345 /nfs/dbraw/zinc/59/93/45/565599345.db2.gz SOKVYJSJRWJJRF-UHFFFAOYSA-N 0 2 384.228 3.445 20 0 GGADLN COc1cc(Cl)c(S(=O)(=O)Nc2nc(C)cc(C3CC3)n2)cc1OC ZINC000279173029 565599507 /nfs/dbraw/zinc/59/95/07/565599507.db2.gz QXJHNKZBSHTRMH-UHFFFAOYSA-N 0 2 383.857 3.134 20 0 GGADLN Cc1ccc(NC(=O)C[N@@H+]2CCCC[C@@H]2CCC(=O)[O-])c(Br)c1 ZINC000320635471 565603515 /nfs/dbraw/zinc/60/35/15/565603515.db2.gz LMZDOWHJNGPZEK-CYBMUJFWSA-N 0 2 383.286 3.415 20 0 GGADLN Cc1ccc(NC(=O)C[N@H+]2CCCC[C@@H]2CCC(=O)[O-])c(Br)c1 ZINC000320635471 565603521 /nfs/dbraw/zinc/60/35/21/565603521.db2.gz LMZDOWHJNGPZEK-CYBMUJFWSA-N 0 2 383.286 3.415 20 0 GGADLN O=S(=O)(Nc1cnc(-c2ccccc2)nc1)c1cncc(Br)c1 ZINC000321135506 565604714 /nfs/dbraw/zinc/60/47/14/565604714.db2.gz MZECLTPZNGTKEM-UHFFFAOYSA-N 0 2 391.250 3.102 20 0 GGADLN CCc1nc(NS(=O)(=O)c2cnn(-c3ccccc3OC)c2)sc1C ZINC000173997654 565605641 /nfs/dbraw/zinc/60/56/41/565605641.db2.gz HFDZDHRJKDTENT-UHFFFAOYSA-N 0 2 378.479 3.009 20 0 GGADLN CCc1cnc(NS(=O)(=O)c2c(F)cc(NC(C)=O)c(Cl)c2F)s1 ZINC000174019603 565606996 /nfs/dbraw/zinc/60/69/96/565606996.db2.gz PNPJLJOOVSUBGM-UHFFFAOYSA-N 0 2 395.840 3.396 20 0 GGADLN CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H](C(N)=O)c1ccc(Br)cc1 ZINC000191490453 565607773 /nfs/dbraw/zinc/60/77/73/565607773.db2.gz IQCAUPCYKRGJQH-KRWDZBQOSA-N 0 2 393.329 3.147 20 0 GGADLN CCOC(=O)c1sc(NS(=O)(=O)c2cc(C)c(Cl)s2)nc1C ZINC000191536739 565611801 /nfs/dbraw/zinc/61/18/01/565611801.db2.gz CDIZDOMZUNEUTB-UHFFFAOYSA-N 0 2 380.900 3.452 20 0 GGADLN Cc1cc(NS(=O)(=O)c2cc(C)c(Cl)s2)n(-c2ccc(C)nn2)n1 ZINC000191545839 565612429 /nfs/dbraw/zinc/61/24/29/565612429.db2.gz 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CCC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2cnn(CC(F)(F)F)c2)c1 ZINC000280023945 565646840 /nfs/dbraw/zinc/64/68/40/565646840.db2.gz VCZRXVUSWHLRFS-UHFFFAOYSA-N 0 2 395.790 3.492 20 0 GGADLN O=C(N=c1nc(-c2ccccc2Cl)[nH]s1)N1CCC[C@@H]1[C@@H]1CCCO1 ZINC000328949821 565648591 /nfs/dbraw/zinc/64/85/91/565648591.db2.gz CEFQTORUAZVMBD-KGLIPLIRSA-N 0 2 378.885 3.456 20 0 GGADLN Cn1nc([C@@H]2CCCOC2)cc1NS(=O)(=O)c1c(Cl)cccc1Cl ZINC000280065980 565649374 /nfs/dbraw/zinc/64/93/74/565649374.db2.gz LQZXOUYAIYVEIH-SNVBAGLBSA-N 0 2 390.292 3.422 20 0 GGADLN O=S(=O)(NCC(F)(F)F)N1CCC(c2nc3cc(Cl)ccc3o2)CC1 ZINC000192016207 565649678 /nfs/dbraw/zinc/64/96/78/565649678.db2.gz MMAMPWJRZFMWKS-UHFFFAOYSA-N 0 2 397.806 3.057 20 0 GGADLN COc1ccccc1CN(Cc1cccs1)S(=O)(=O)NCC(F)(F)F ZINC000192003713 565649736 /nfs/dbraw/zinc/64/97/36/565649736.db2.gz HLWAFSYPVLHLQM-UHFFFAOYSA-N 0 2 394.440 3.156 20 0 GGADLN Cc1nc(S(=O)(=O)NC2CCC(F)(F)CC2)sc1Br ZINC000329099805 565654598 /nfs/dbraw/zinc/65/45/98/565654598.db2.gz 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CC(C)c1nn(C)cc1NS(=O)(=O)c1ccc(Br)c(F)c1 ZINC000330367706 565703290 /nfs/dbraw/zinc/70/32/90/565703290.db2.gz DOIITVDZKHNWGT-UHFFFAOYSA-N 0 2 376.251 3.246 20 0 GGADLN CSC(C)(C)CNC(=O)Cc1ccc(NS(=O)(=O)c2cccs2)cc1 ZINC000175513622 565703865 /nfs/dbraw/zinc/70/38/65/565703865.db2.gz HMAVKPNOWSWGLV-UHFFFAOYSA-N 0 2 398.575 3.349 20 0 GGADLN CCOC(=O)c1nc(NS(=O)(=O)c2ccc(Cl)s2)sc1C(C)=O ZINC000280938780 565704092 /nfs/dbraw/zinc/70/40/92/565704092.db2.gz IEVBZUDADPULPL-UHFFFAOYSA-N 0 2 394.883 3.038 20 0 GGADLN CC(C)(C)c1nc(=NC(=O)c2csc(I)c2)s[nH]1 ZINC000330376981 565704308 /nfs/dbraw/zinc/70/43/08/565704308.db2.gz PQGFOHBKPUISEB-UHFFFAOYSA-N 0 2 393.275 3.176 20 0 GGADLN O=S(=O)(NC1(c2nnc[nH]2)CCC1)c1c(Cl)cc(Cl)cc1Cl ZINC000281132413 565713395 /nfs/dbraw/zinc/71/33/95/565713395.db2.gz IVEFSDHZJVZTRO-UHFFFAOYSA-N 0 2 381.672 3.123 20 0 GGADLN CCOC(=O)c1ccc(S(=O)(=O)Nc2cc(C)c(Br)cn2)cc1 ZINC000175657118 565714740 /nfs/dbraw/zinc/71/47/40/565714740.db2.gz LQPUQBKQQHWSNA-UHFFFAOYSA-N 0 2 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ZINC000194741783 565833939 /nfs/dbraw/zinc/83/39/39/565833939.db2.gz VMFFXUDAMXBQDU-UHFFFAOYSA-N 0 2 380.651 3.239 20 0 GGADLN Cn1cc(-c2nnc(NS(=O)(=O)c3cc4cc(Cl)ccc4s3)o2)cn1 ZINC000194754932 565835169 /nfs/dbraw/zinc/83/51/69/565835169.db2.gz WTDZIUZBRCRMTG-UHFFFAOYSA-N 0 2 395.853 3.139 20 0 GGADLN CN(C)C(=O)c1ccc(S(=O)(=O)Nc2nc3ccc(Cl)cc3s2)cc1 ZINC000194786876 565837240 /nfs/dbraw/zinc/83/72/40/565837240.db2.gz BAOFJKQUJKLFLD-UHFFFAOYSA-N 0 2 395.893 3.452 20 0 GGADLN CN(C)C(=O)c1ccc(S(=O)(=O)Nc2nc3cc(Cl)ccc3s2)cc1 ZINC000194788425 565837619 /nfs/dbraw/zinc/83/76/19/565837619.db2.gz KENBXJTVTWUCAZ-UHFFFAOYSA-N 0 2 395.893 3.452 20 0 GGADLN O=S(=O)(Nc1ccc2nc(C3CC3)sc2c1)c1cnn(CC(F)F)c1 ZINC000283962057 565837642 /nfs/dbraw/zinc/83/76/42/565837642.db2.gz RTQFOTZHIFTZGK-UHFFFAOYSA-N 0 2 384.433 3.436 20 0 GGADLN COc1ccc(S(=O)(=O)Nc2nc(-c3ccccc3Cl)ns2)cn1 ZINC000194799092 565838718 /nfs/dbraw/zinc/83/87/18/565838718.db2.gz MQDJRGNCPSDQGE-UHFFFAOYSA-N 0 2 382.854 3.063 20 0 GGADLN O=S(=O)(Nc1nnc(Cc2ccc(F)cc2)o1)c1ccc(Cl)cc1F ZINC000194807219 565839432 /nfs/dbraw/zinc/83/94/32/565839432.db2.gz USLMGXNQGPTVOQ-UHFFFAOYSA-N 0 2 385.779 3.393 20 0 GGADLN O=S(=O)(Nc1nnc(Cc2ccc(F)cc2)o1)c1ccc(F)c(Cl)c1 ZINC000194808229 565839518 /nfs/dbraw/zinc/83/95/18/565839518.db2.gz QLJKBLMJEPIQLP-UHFFFAOYSA-N 0 2 385.779 3.393 20 0 GGADLN O=S(=O)(Nc1nnc(Cc2ccc(Cl)cc2)o1)c1ccc(F)cc1F ZINC000194818801 565840614 /nfs/dbraw/zinc/84/06/14/565840614.db2.gz QKXCVKRIQFQBMR-UHFFFAOYSA-N 0 2 385.779 3.393 20 0 GGADLN CC(C)CCc1nnc(NS(=O)(=O)c2ccc(F)c(Br)c2)o1 ZINC000194874206 565844771 /nfs/dbraw/zinc/84/47/71/565844771.db2.gz WZQFZOKOJNUJSB-UHFFFAOYSA-N 0 2 392.250 3.361 20 0 GGADLN CC(C)CCc1nnc(NS(=O)(=O)c2cccc(OC(F)(F)F)c2)o1 ZINC000194873983 565844948 /nfs/dbraw/zinc/84/49/48/565844948.db2.gz SJSVYXHAZCQBRS-UHFFFAOYSA-N 0 2 379.360 3.358 20 0 GGADLN C[C@H](CC(=O)N1CCc2nc(NS(C)(=O)=O)sc2C1)C1CCCCC1 ZINC000332577718 565844990 /nfs/dbraw/zinc/84/49/90/565844990.db2.gz 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CC(C)c1ccc(Cl)c(S(=O)(=O)Nc2ncn(CC(F)(F)F)n2)c1 ZINC000284856823 565873587 /nfs/dbraw/zinc/87/35/87/565873587.db2.gz HXLMPVYUZQLKRX-UHFFFAOYSA-N 0 2 382.795 3.418 20 0 GGADLN Cc1ccc(CCN(Cc2ccco2)S(=O)(=O)NCC(F)(F)F)cc1 ZINC000195316542 565875102 /nfs/dbraw/zinc/87/51/02/565875102.db2.gz HCUFJBFWYBELQS-UHFFFAOYSA-N 0 2 376.400 3.029 20 0 GGADLN COCc1cnc(NS(=O)(=O)c2ccc(C)c(Br)c2)s1 ZINC000284950368 565879022 /nfs/dbraw/zinc/87/90/22/565879022.db2.gz BHWFEVQAJYVNOT-UHFFFAOYSA-N 0 2 377.285 3.161 20 0 GGADLN O=C(Nc1cccc(S(=O)(=O)Nc2nccs2)c1)[C@H]1CC12CCCC2 ZINC000333368390 565879691 /nfs/dbraw/zinc/87/96/91/565879691.db2.gz VTRPCABUJMDOFM-CQSZACIVSA-N 0 2 377.491 3.463 20 0 GGADLN O=S(=O)(Nc1cnn(Cc2ccncc2)c1)c1c(Cl)cccc1Cl ZINC000195426853 565882063 /nfs/dbraw/zinc/88/20/63/565882063.db2.gz PMKQCQXFBAHVGD-UHFFFAOYSA-N 0 2 383.260 3.434 20 0 GGADLN CC(C)[C@H](NS(=O)(=O)NCC(F)(F)F)c1ccc(C(F)(F)F)cc1 ZINC000195430022 565882144 /nfs/dbraw/zinc/88/21/44/565882144.db2.gz PUJXUYBATLINFY-NSHDSACASA-N 0 2 378.338 3.389 20 0 GGADLN COCc1cnc(NS(=O)(=O)c2ccc(Br)cc2C)s1 ZINC000285010820 565882103 /nfs/dbraw/zinc/88/21/03/565882103.db2.gz GWXDWIJIWCDJQC-UHFFFAOYSA-N 0 2 377.285 3.161 20 0 GGADLN Cc1cc(NS(=O)(=O)c2cccc(Cl)c2)n(-c2cc(C)nc(C)n2)n1 ZINC000177932184 565882211 /nfs/dbraw/zinc/88/22/11/565882211.db2.gz JTCGWVRFWNRABR-UHFFFAOYSA-N 0 2 377.857 3.042 20 0 GGADLN O=S(=O)(NCC(F)(F)F)N[C@@H](c1cccc(C(F)(F)F)c1)C1CC1 ZINC000195442951 565883930 /nfs/dbraw/zinc/88/39/30/565883930.db2.gz RRNNXNGQENYAGR-LLVKDONJSA-N 0 2 376.322 3.143 20 0 GGADLN Cc1c(Br)ccc(C(=O)N2CCCC[C@@H]2c2n[nH]c(=O)[nH]2)c1F ZINC000333472150 565884109 /nfs/dbraw/zinc/88/41/09/565884109.db2.gz DLIZMHJCQWZASX-LLVKDONJSA-N 0 2 383.221 3.088 20 0 GGADLN COc1ccc(S(=O)(=O)Nc2cc3n(n2)CCCC3)c(Cl)c1Cl ZINC000285029456 565884473 /nfs/dbraw/zinc/88/44/73/565884473.db2.gz IUPCPBKQXNLTFE-UHFFFAOYSA-N 0 2 376.265 3.336 20 0 GGADLN CC(C)Oc1ccc2ccccc2c1CNS(=O)(=O)NCC(F)(F)F ZINC000195456118 565884513 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CCOC(=O)C(C)(C)c1csc(NS(=O)(=O)c2ccc(C)cc2F)n1 ZINC000571359985 567556652 /nfs/dbraw/zinc/55/66/52/567556652.db2.gz XCRQIPAUJFTZJS-UHFFFAOYSA-N 0 2 386.470 3.232 20 0 GGADLN CN=c1[nH]nc(CC(=O)N2CCC(c3c(Cl)cccc3Cl)CC2)s1 ZINC000644525228 567556748 /nfs/dbraw/zinc/55/67/48/567556748.db2.gz LKUYPCHRWJNDCQ-UHFFFAOYSA-N 0 2 385.320 3.257 20 0 GGADLN C[C@H]1Cc2cc(S(=O)(=O)Nc3nc4cc(Cl)ccn4n3)cc(Cl)c2O1 ZINC000571371351 567558097 /nfs/dbraw/zinc/55/80/97/567558097.db2.gz MDIMBQKSYFFXBK-QMMMGPOBSA-N 0 2 399.259 3.160 20 0 GGADLN CN(C)c1ccc(NS(=O)(=O)c2cc(Cl)ccc2Br)nc1 ZINC000438980300 567558651 /nfs/dbraw/zinc/55/86/51/567558651.db2.gz SJXZSPHORJGAPW-UHFFFAOYSA-N 0 2 390.690 3.364 20 0 GGADLN COCCOc1ccc(NS(=O)(=O)c2ccc(Cl)cc2Cl)cn1 ZINC000438980458 567558736 /nfs/dbraw/zinc/55/87/36/567558736.db2.gz RZULXXZVEBJWOY-UHFFFAOYSA-N 0 2 377.249 3.214 20 0 GGADLN O=C(Nc1n[nH]c(-c2ccccn2)n1)c1cc(Cl)cc(Br)c1O ZINC000438983444 567558975 /nfs/dbraw/zinc/55/89/75/567558975.db2.gz 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567572817 /nfs/dbraw/zinc/57/28/17/567572817.db2.gz WJGBQONIFVSYDD-UHFFFAOYSA-N 0 2 398.204 3.311 20 0 GGADLN COc1cc(OC)c(S(=O)(=O)Nc2ncsc2C)cc1Br ZINC000530140517 567572990 /nfs/dbraw/zinc/57/29/90/567572990.db2.gz LGFUHIFIINNOEM-UHFFFAOYSA-N 0 2 393.284 3.032 20 0 GGADLN COc1cc(Cl)c(S(=O)(=O)Nc2ccc(OC(F)F)nc2)cc1OC ZINC000571574812 567572852 /nfs/dbraw/zinc/57/28/52/567572852.db2.gz FGXFKSWHLDLSIU-UHFFFAOYSA-N 0 2 394.783 3.154 20 0 GGADLN O=C(Cc1ccc(F)cc1Br)Nc1cccc(-c2n[nH]c(=O)[nH]2)c1 ZINC000552279792 567573452 /nfs/dbraw/zinc/57/34/52/567573452.db2.gz GLULXSRUXWILEP-UHFFFAOYSA-N 0 2 391.200 3.260 20 0 GGADLN O=S(=O)(Nc1nnc(CC(F)(F)F)s1)c1ccc(F)cc1Cl ZINC000480003723 567574241 /nfs/dbraw/zinc/57/42/41/567574241.db2.gz KCZVQDYIKSFURG-UHFFFAOYSA-N 0 2 375.756 3.236 20 0 GGADLN COC(=O)c1ccc(S(=O)(=O)Nc2nnc(-c3ccc(Cl)cc3)s2)o1 ZINC000479997607 567574337 /nfs/dbraw/zinc/57/43/37/567574337.db2.gz WYKOAIAMJVQIEA-UHFFFAOYSA-N 0 2 399.837 3.039 20 0 GGADLN O=C(N=c1nc(-c2cccc(Cl)c2)[nH]s1)N1CC[C@@H](COC(F)F)C1 ZINC000480026176 567576060 /nfs/dbraw/zinc/57/60/60/567576060.db2.gz NPMRFZRGVGSVEG-SECBINFHSA-N 0 2 388.827 3.373 20 0 GGADLN Cc1ccc(C(=O)Nc2nc(-c3ccc(Br)cc3F)n[nH]2)n1C ZINC000439252278 567576235 /nfs/dbraw/zinc/57/62/35/567576235.db2.gz YEWLMCXWKJFKAC-UHFFFAOYSA-N 0 2 378.205 3.273 20 0 GGADLN CCc1nnc(NS(=O)(=O)c2ccc(OCCOC)c(C(C)C)c2)s1 ZINC000530152956 567576894 /nfs/dbraw/zinc/57/68/94/567576894.db2.gz GZRNQPYWSUZAOD-UHFFFAOYSA-N 0 2 385.511 3.050 20 0 GGADLN C[C@H]1Oc2cc(F)ccc2[C@@H]1NC(=O)N=c1nc(-c2ccsc2)[nH]s1 ZINC000480077656 567579020 /nfs/dbraw/zinc/57/90/20/567579020.db2.gz MYJMEOGKPQNVRH-AMIZOPFISA-N 0 2 376.438 3.471 20 0 GGADLN C[C@@H]1Oc2cc(F)ccc2[C@H]1NC(=O)N=c1nc(-c2ccsc2)[nH]s1 ZINC000480077659 567579097 /nfs/dbraw/zinc/57/90/97/567579097.db2.gz MYJMEOGKPQNVRH-SDBXPKJASA-N 0 2 376.438 3.471 20 0 GGADLN CO[C@]1(C(=O)[O-])CC[N@H+](Cc2csc(COc3ccc(Cl)cc3)n2)C1 ZINC000530172196 567579662 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Cn1cc(NS(=O)(=O)c2ccc(CC(F)(F)F)cc2)c(C(F)(F)F)n1 ZINC000480196862 567587142 /nfs/dbraw/zinc/58/71/42/567587142.db2.gz OOIATXRJAJBUNC-UHFFFAOYSA-N 0 2 387.305 3.345 20 0 GGADLN Cc1cc(S(=O)(=O)Nc2noc(COc3ccc(F)cc3)n2)sc1C ZINC000480202190 567587219 /nfs/dbraw/zinc/58/72/19/567587219.db2.gz PGXAAWNFYZAMNA-UHFFFAOYSA-N 0 2 383.426 3.267 20 0 GGADLN CCOC(=O)c1cc(CC)sc1NS(=O)(=O)c1cccc(COC)c1 ZINC000480201411 567587362 /nfs/dbraw/zinc/58/73/62/567587362.db2.gz NZHDOYZEDAQIBH-UHFFFAOYSA-N 0 2 383.491 3.434 20 0 GGADLN COC(=O)[C@@H](c1ccccc1Br)[N@@H+]1CCC[C@@H](CCC(=O)[O-])C1 ZINC000595879531 567588269 /nfs/dbraw/zinc/58/82/69/567588269.db2.gz SMDCQKMDYIVDDF-BLLLJJGKSA-N 0 2 384.270 3.240 20 0 GGADLN COC(=O)[C@@H](c1ccccc1Br)[N@H+]1CCC[C@@H](CCC(=O)[O-])C1 ZINC000595879531 567588275 /nfs/dbraw/zinc/58/82/75/567588275.db2.gz SMDCQKMDYIVDDF-BLLLJJGKSA-N 0 2 384.270 3.240 20 0 GGADLN COC(=O)[C@@H](c1ccccc1Br)[NH+]1CCC(CCC(=O)[O-])CC1 ZINC000595882588 567588936 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COC(=O)c1sccc1S(=O)(=O)Nc1cc(F)ccc1OCC1CC1 ZINC000480252412 567592010 /nfs/dbraw/zinc/59/20/10/567592010.db2.gz URMQXZUSCOCWNV-UHFFFAOYSA-N 0 2 385.438 3.263 20 0 GGADLN CCOC(=O)c1cc(CC)sc1NS(=O)(=O)c1ccc2c(c1)COC2 ZINC000480237027 567592073 /nfs/dbraw/zinc/59/20/73/567592073.db2.gz PJVLKGHZWJXJAX-UHFFFAOYSA-N 0 2 381.475 3.318 20 0 GGADLN CC(C)Oc1ccc(NC(=O)c2cccc(Br)c2O)cc1C(N)=O ZINC000530317586 567592101 /nfs/dbraw/zinc/59/21/01/567592101.db2.gz IHQUYJNOCJIJKA-UHFFFAOYSA-N 0 2 393.237 3.293 20 0 GGADLN O=S(=O)(Nc1ccc(OCC(F)(F)F)nc1)c1cnc2ccsc2c1 ZINC000439567266 567593298 /nfs/dbraw/zinc/59/32/98/567593298.db2.gz HROPLZYAPDZLGY-UHFFFAOYSA-N 0 2 389.380 3.433 20 0 GGADLN Cc1cccc(Cc2cnc(NC(=O)CSc3n[nH]c(=O)[nH]3)s2)c1Cl ZINC000480270666 567593514 /nfs/dbraw/zinc/59/35/14/567593514.db2.gz NQHXSBAMAWRKLH-UHFFFAOYSA-N 0 2 395.897 3.250 20 0 GGADLN CCOC(=O)c1c(C)c(C)sc1NS(=O)(=O)c1ccc2c(c1)OCO2 ZINC000480271211 567593583 /nfs/dbraw/zinc/59/35/83/567593583.db2.gz ZULAGTBGQNISSS-UHFFFAOYSA-N 0 2 383.447 3.071 20 0 GGADLN C[C@@H]1C(=O)CC[C@H]1CC(=O)Nc1nc(-c2ccc(Br)cc2F)n[nH]1 ZINC000530422387 567600003 /nfs/dbraw/zinc/60/00/03/567600003.db2.gz RKMSOHMGSHNUOQ-IUCAKERBSA-N 0 2 395.232 3.317 20 0 GGADLN COC(=O)c1oc(S(=O)(=O)Nc2nc3c(cc(C)cc3C)s2)cc1C ZINC000596038871 567601670 /nfs/dbraw/zinc/60/16/70/567601670.db2.gz PSNXFYOFMGSQHF-UHFFFAOYSA-N 0 2 380.447 3.402 20 0 GGADLN O=C(N=c1nc(-c2cccc(Cl)c2)[nH]s1)NC[C@H](O)C1CCCCC1 ZINC000571961313 567601976 /nfs/dbraw/zinc/60/19/76/567601976.db2.gz FKOLBMYYJWYMEW-AWEZNQCLSA-N 0 2 380.901 3.343 20 0 GGADLN CC[C@@H](NC(=O)N=c1ccc(-c2cnn(C)c2)n[nH]1)c1ccc(Cl)s1 ZINC000571959207 567602575 /nfs/dbraw/zinc/60/25/75/567602575.db2.gz OFIATQMBBHANTH-LLVKDONJSA-N 0 2 376.873 3.287 20 0 GGADLN O=S(=O)(Nc1cccc(-c2nnco2)c1)c1cccc(Br)c1F ZINC000571988941 567604205 /nfs/dbraw/zinc/60/42/05/567604205.db2.gz LYAQVSJDDNYXBR-UHFFFAOYSA-N 0 2 398.213 3.439 20 0 GGADLN Cn1cc(Br)c(C(=O)N=c2nc(-c3ccccc3Cl)[nH]s2)n1 ZINC000572020986 567606400 /nfs/dbraw/zinc/60/64/00/567606400.db2.gz HNNYIGKJUIEKDE-UHFFFAOYSA-N 0 2 398.673 3.029 20 0 GGADLN C[C@@H]1CCN(Cc2cc(Br)c(O)c(Br)c2)C[C@H]1CO ZINC000621738181 567608236 /nfs/dbraw/zinc/60/82/36/567608236.db2.gz ZZXGGDCAIMTGGA-KOLCDFICSA-N 0 2 393.119 3.368 20 0 GGADLN Cc1nn(C)cc1S(=O)(=O)Nc1ccc(Oc2ccc(Cl)cc2)nc1 ZINC000572036517 567608923 /nfs/dbraw/zinc/60/89/23/567608923.db2.gz XBQUAEUKKNOCLI-UHFFFAOYSA-N 0 2 378.841 3.370 20 0 GGADLN Brc1cnn(CCCCNc2nc(-c3ccccc3)ns2)c1 ZINC000480505394 567609049 /nfs/dbraw/zinc/60/90/49/567609049.db2.gz ZYVHHKKNWIMIDZ-UHFFFAOYSA-N 0 2 378.299 3.478 20 0 GGADLN CCCN1C[C@@H](c2nc(-c3cc(F)c(O)c(Br)c3)no2)CC1=O ZINC000621808803 567611616 /nfs/dbraw/zinc/61/16/16/567611616.db2.gz XKKFJYROYBVPSV-VIFPVBQESA-N 0 2 384.205 3.070 20 0 GGADLN C[C@H](Cc1nc(-c2cc(F)c(O)c(Br)c2)no1)c1cnn(C)c1 ZINC000621808647 567611889 /nfs/dbraw/zinc/61/18/89/567611889.db2.gz QSHUXWSRHHWLLC-MRVPVSSYSA-N 0 2 381.205 3.424 20 0 GGADLN 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O=C(CSc1nc(=O)cc(O)n1C1CCCC1)Nc1ccc(F)cc1F ZINC000102137453 570841822 /nfs/dbraw/zinc/84/18/22/570841822.db2.gz IZQHDQPHEYCTCF-UHFFFAOYSA-N 0 2 381.404 3.073 20 0 GGADLN COc1ccc(C)cc1NC(=O)CSc1nc(=O)cc(O)n1C1CCCC1 ZINC000102796605 570864225 /nfs/dbraw/zinc/86/42/25/570864225.db2.gz MKQTWSKVAYNZBL-UHFFFAOYSA-N 0 2 389.477 3.112 20 0 GGADLN COC(=O)c1ccc(C(=O)OC)c(S(=O)(=O)Nc2cc(Cl)ccc2C)c1 ZINC000016149036 570915421 /nfs/dbraw/zinc/91/54/21/570915421.db2.gz RIFJHQPLAQLIAO-UHFFFAOYSA-N 0 2 397.836 3.022 20 0 GGADLN O=S(=O)(Nc1cc(F)ccc1OC[C@@H]1CCCO1)c1c[nH]c2ncccc12 ZINC000107532488 570974943 /nfs/dbraw/zinc/97/49/43/570974943.db2.gz DGORLQRRPKEWQU-ZDUSSCGKSA-N 0 2 391.424 3.061 20 0 GGADLN O=S(=O)(Nc1cc(F)ccc1OC[C@H]1CCCO1)c1c[nH]c2ncccc12 ZINC000107532492 570975086 /nfs/dbraw/zinc/97/50/86/570975086.db2.gz DGORLQRRPKEWQU-CYBMUJFWSA-N 0 2 391.424 3.061 20 0 GGADLN C[C@@H](OC(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1)c1cccnc1 ZINC000084661165 571029854 /nfs/dbraw/zinc/02/98/54/571029854.db2.gz YPEIOABPBKYUFH-GFCCVEGCSA-N 0 2 389.458 3.257 20 0 GGADLN C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)N2CCC[C@H](CC(=O)[O-])C2)C[C@H](C)O1 ZINC000818112663 597117579 /nfs/dbraw/zinc/11/75/79/597117579.db2.gz GYXPNMINMYWSHH-IXDOHACOSA-N 0 2 389.496 3.014 20 0 GGADLN C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)N2CCC[C@H](CC(=O)[O-])C2)C[C@H](C)O1 ZINC000818112663 597117581 /nfs/dbraw/zinc/11/75/81/597117581.db2.gz GYXPNMINMYWSHH-IXDOHACOSA-N 0 2 389.496 3.014 20 0 GGADLN Cn1cc[nH+]c1C[C@@H](NC(=O)Nc1cccc(CC(=O)[O-])c1)c1ccccc1 ZINC000819077963 597197144 /nfs/dbraw/zinc/19/71/44/597197144.db2.gz AQTQNBBKMMLGJL-GOSISDBHSA-N 0 2 378.432 3.153 20 0 GGADLN O=C([O-])c1cccc(CNC(=O)N[C@@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)c1 ZINC000821442613 598191437 /nfs/dbraw/zinc/19/14/37/598191437.db2.gz WRQDXLVAQYGYAB-WOJBJXKFSA-N 0 2 390.443 3.309 20 0 GGADLN O=C([O-])c1cccc(CNC(=O)N[C@@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)c1 ZINC000821442611 598191452 /nfs/dbraw/zinc/19/14/52/598191452.db2.gz WRQDXLVAQYGYAB-VQTJNVASSA-N 0 2 390.443 3.309 20 0 GGADLN Cc1ccn(CC(=O)Nc2c(C(C)C)cccc2C(C)C)c(=O)c1-c1nn[nH]n1 ZINC000822369359 607349521 /nfs/dbraw/zinc/34/95/21/607349521.db2.gz HCXFIWWUGTZBRD-UHFFFAOYSA-N 0 2 394.479 3.222 20 0 GGADLN Cc1[nH]c(=O)c(-c2nn[nH]n2)c(C)c1CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000737201324 598608518 /nfs/dbraw/zinc/60/85/18/598608518.db2.gz RKVGVDYQPVBNPZ-UHFFFAOYSA-N 0 2 397.826 3.073 20 0 GGADLN COc1c(C)cc(C[N@H+](C)Cn2nc(C(=O)[O-])c(Br)c2C)cc1C ZINC000737838727 599704778 /nfs/dbraw/zinc/70/47/78/599704778.db2.gz APVZRZBZQGYNJV-UHFFFAOYSA-N 0 2 396.285 3.367 20 0 GGADLN COc1c(C)cc(C[N@@H+](C)Cn2nc(C(=O)[O-])c(Br)c2C)cc1C ZINC000737838727 599704779 /nfs/dbraw/zinc/70/47/79/599704779.db2.gz APVZRZBZQGYNJV-UHFFFAOYSA-N 0 2 396.285 3.367 20 0 GGADLN CN(CCCC(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1)C(=O)[O-] ZINC000737422864 599732922 /nfs/dbraw/zinc/73/29/22/599732922.db2.gz PSFDAMMEVVZXHG-HNNXBMFYSA-N 0 2 385.867 3.122 20 0 GGADLN Cc1cc(NC(=O)C[NH2+][C@@H](C(=O)[O-])c2ccccc2)ccc1Br ZINC000320653904 599757200 /nfs/dbraw/zinc/75/72/00/599757200.db2.gz PKJWYISRTSJPJA-MRXNPFEDSA-N 0 2 377.238 3.112 20 0 GGADLN O=C([O-])[C@H]([NH2+]CC(=O)Nc1ccc(Br)cc1Cl)c1ccccc1 ZINC000390623658 599759646 /nfs/dbraw/zinc/75/96/46/599759646.db2.gz HKQZLRJOCBXSMV-OAHLLOKOSA-N 0 2 397.656 3.457 20 0 GGADLN COc1ccc2cc(CN(C)C(=O)C[NH2+][C@@H](C(=O)[O-])c3ccccc3)ccc2c1 ZINC000738079702 599759778 /nfs/dbraw/zinc/75/97/78/599759778.db2.gz QFCXDDQLCLBNIT-JOCHJYFZSA-N 0 2 392.455 3.222 20 0 GGADLN CCc1[nH]c(C(=O)Nc2cccc([C@H](C)[NH+]3CCOCC3)c2)c(C)c1C(=O)[O-] ZINC000737245177 599765640 /nfs/dbraw/zinc/76/56/40/599765640.db2.gz IBDCRQBQQDFZHH-AWEZNQCLSA-N 0 2 385.464 3.229 20 0 GGADLN O=C([O-])CCc1ccc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)cc1 ZINC000739752681 599771735 /nfs/dbraw/zinc/77/17/35/599771735.db2.gz IPMJZINYIYCJMU-HXUWFJFHSA-N 0 2 384.501 3.432 20 0 GGADLN O=C([O-])CC[N@@H+](Cc1ccccc1)Cn1ncn(-c2ccccc2F)c1=S ZINC000739723011 599777811 /nfs/dbraw/zinc/77/78/11/599777811.db2.gz BMJHGWGACVINMD-UHFFFAOYSA-N 0 2 386.452 3.477 20 0 GGADLN O=C([O-])CC[N@H+](Cc1ccccc1)Cn1ncn(-c2ccccc2F)c1=S ZINC000739723011 599777814 /nfs/dbraw/zinc/77/78/14/599777814.db2.gz BMJHGWGACVINMD-UHFFFAOYSA-N 0 2 386.452 3.477 20 0 GGADLN O=C([O-])[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1ccc(COc2ccc(Cl)cc2)cc1 ZINC000739451896 599779383 /nfs/dbraw/zinc/77/93/83/599779383.db2.gz FMESQHIFRWKECM-SFHVURJKSA-N 0 2 399.834 3.068 20 0 GGADLN O=C([O-])[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1ccc(COc2ccc(Cl)cc2)cc1 ZINC000739451896 599779385 /nfs/dbraw/zinc/77/93/85/599779385.db2.gz FMESQHIFRWKECM-SFHVURJKSA-N 0 2 399.834 3.068 20 0 GGADLN Cc1ccc(-c2csc(NC(=O)C[NH2+][C@H](C(=O)[O-])c3ccccc3)n2)cc1 ZINC000738493672 599783420 /nfs/dbraw/zinc/78/34/20/599783420.db2.gz WHODJTRDCDCQCR-SFHVURJKSA-N 0 2 381.457 3.473 20 0 GGADLN CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[NH2+][C@@H](C(=O)[O-])c1ccccc1 ZINC000737472127 599784661 /nfs/dbraw/zinc/78/46/61/599784661.db2.gz NJWXJGUYOUBSED-QGZVFWFLSA-N 0 2 381.259 3.367 20 0 GGADLN O=C([O-])[C@@H]([NH2+]CC(=O)N[C@@H](c1cccs1)c1ccccc1)c1ccccc1 ZINC000739306107 599785040 /nfs/dbraw/zinc/78/50/40/599785040.db2.gz FALTVNWIGUPXKR-UXHICEINSA-N 0 2 380.469 3.369 20 0 GGADLN Cc1nc(-c2cccc(NC(=O)C[NH2+][C@H](C(=O)[O-])c3ccccc3)c2)cs1 ZINC000738831919 599786550 /nfs/dbraw/zinc/78/65/50/599786550.db2.gz KTBDMRGFLDTNGW-IBGZPJMESA-N 0 2 381.457 3.473 20 0 GGADLN C[C@@H]1CCCC[C@H]1N(C)C(=O)C[NH2+][C@H](C(=O)[O-])c1ccc(Br)cc1 ZINC000736787353 599788262 /nfs/dbraw/zinc/78/82/62/599788262.db2.gz ZJISUHCGISRHIF-VMGRFDJRSA-N 0 2 397.313 3.202 20 0 GGADLN CC1CCC(N(C)C(=O)C[NH2+][C@@H](C(=O)[O-])c2ccc(Br)cc2)CC1 ZINC000736761093 599789036 /nfs/dbraw/zinc/78/90/36/599789036.db2.gz HTOBJPQTELTOGI-MWHAMWOXSA-N 0 2 397.313 3.202 20 0 GGADLN CC1CCC(N(C)C(=O)C[NH2+][C@H](C(=O)[O-])c2ccc(Br)cc2)CC1 ZINC000736761094 599789076 /nfs/dbraw/zinc/78/90/76/599789076.db2.gz HTOBJPQTELTOGI-QOJXUVEWSA-N 0 2 397.313 3.202 20 0 GGADLN O=C([O-])[C@H]([NH2+]CC(=O)NC1CCCCCC1)c1ccc(Br)cc1 ZINC000739309450 599789602 /nfs/dbraw/zinc/78/96/02/599789602.db2.gz ZDWNKGUOXZTUMK-MRXNPFEDSA-N 0 2 383.286 3.003 20 0 GGADLN C[C@@H]1CCC[C@H](NC(=O)C[NH2+][C@H](C(=O)[O-])c2ccc(Br)cc2)[C@@H]1C ZINC000736774397 599790234 /nfs/dbraw/zinc/79/02/34/599790234.db2.gz GYJFVHMWRNEQMK-LVRJZDEYSA-N 0 2 397.313 3.105 20 0 GGADLN Cc1cccc(NC(=O)C[NH2+][C@H](C(=O)[O-])c2ccc(Br)cc2)c1 ZINC000738736453 599790659 /nfs/dbraw/zinc/79/06/59/599790659.db2.gz YMOWCTXRVHQNKP-INIZCTEOSA-N 0 2 377.238 3.112 20 0 GGADLN Cc1ccc(C)c(NC(=O)C[NH2+][C@@H](C(=O)[O-])c2ccc(Br)cc2)c1 ZINC000738573005 599790688 /nfs/dbraw/zinc/79/06/88/599790688.db2.gz CYAKPEBZORNVLQ-QGZVFWFLSA-N 0 2 391.265 3.420 20 0 GGADLN O=C([O-])[C@@H]([NH2+]CC(=O)Nc1ccccc1Cl)c1ccc(Br)cc1 ZINC000739307276 599790792 /nfs/dbraw/zinc/79/07/92/599790792.db2.gz LJWMPXSDUGWNMC-HNNXBMFYSA-N 0 2 397.656 3.457 20 0 GGADLN O=C([O-])[C@@H]([NH2+]CC(=O)Nc1c(F)cccc1F)c1ccc(Br)cc1 ZINC000739307291 599791221 /nfs/dbraw/zinc/79/12/21/599791221.db2.gz LSOBSEYZWGKVHR-AWEZNQCLSA-N 0 2 399.191 3.081 20 0 GGADLN CCOc1ccc(NC(=O)C[NH2+][C@H](C(=O)[O-])c2ccccc2C(F)(F)F)cc1 ZINC000737203568 599791560 /nfs/dbraw/zinc/79/15/60/599791560.db2.gz OWSLSPOADUBPJK-KRWDZBQOSA-N 0 2 396.365 3.458 20 0 GGADLN CC(C)C[C@H](C)N(C)C(=O)C[NH2+][C@H](C(=O)[O-])c1ccc(Br)cc1 ZINC000736404093 599791588 /nfs/dbraw/zinc/79/15/88/599791588.db2.gz QCYQKBGKOSAHHQ-LRDDRELGSA-N 0 2 385.302 3.057 20 0 GGADLN CC(C)C[C@@H](C)N(C)C(=O)C[NH2+][C@H](C(=O)[O-])c1ccc(Br)cc1 ZINC000736404095 599791692 /nfs/dbraw/zinc/79/16/92/599791692.db2.gz QCYQKBGKOSAHHQ-WBMJQRKESA-N 0 2 385.302 3.057 20 0 GGADLN O=C([O-])[C@@H]([NH2+]CC(=O)N1CCCc2ccccc21)c1ccccc1C(F)(F)F ZINC000739510251 599792563 /nfs/dbraw/zinc/79/25/63/599792563.db2.gz YNMWBNMCJYEDLV-SFHVURJKSA-N 0 2 392.377 3.400 20 0 GGADLN O=C([O-])[C@H]([NH2+]CC(=O)N(C1CC1)C1CCCC1)c1ccc(Br)cc1 ZINC000739510020 599792741 /nfs/dbraw/zinc/79/27/41/599792741.db2.gz WTTHXTAATSKZSO-QGZVFWFLSA-N 0 2 395.297 3.098 20 0 GGADLN O=C([O-])[C@H]([NH2+]CC(=O)N1CCCc2ccccc21)c1ccccc1C(F)(F)F ZINC000739510250 599792792 /nfs/dbraw/zinc/79/27/92/599792792.db2.gz YNMWBNMCJYEDLV-GOSISDBHSA-N 0 2 392.377 3.400 20 0 GGADLN C[C@H](c1cccc(NC(=O)N[C@@H](CC(=O)[O-])c2ccccc2)c1)[NH+]1CCOCC1 ZINC000736717358 599822507 /nfs/dbraw/zinc/82/25/07/599822507.db2.gz MMFYXCJEXPHSQT-UZLBHIALSA-N 0 2 397.475 3.417 20 0 GGADLN C[C@H](c1cccc(NC(=O)N[C@H](CC(=O)[O-])c2ccccc2)c1)[NH+]1CCOCC1 ZINC000736717357 599822572 /nfs/dbraw/zinc/82/25/72/599822572.db2.gz MMFYXCJEXPHSQT-OXQOHEQNSA-N 0 2 397.475 3.417 20 0 GGADLN CC(C)c1nn(C[N@@H+]2CCCC[C@H]2CC(=O)[O-])c(=S)n1Cc1ccco1 ZINC000736533232 599838967 /nfs/dbraw/zinc/83/89/67/599838967.db2.gz TZTSMKQBRCGGMS-AWEZNQCLSA-N 0 2 378.498 3.465 20 0 GGADLN CC(C)c1nn(C[N@H+]2CCCC[C@H]2CC(=O)[O-])c(=S)n1Cc1ccco1 ZINC000736533232 599838969 /nfs/dbraw/zinc/83/89/69/599838969.db2.gz TZTSMKQBRCGGMS-AWEZNQCLSA-N 0 2 378.498 3.465 20 0 GGADLN CCCn1c(-c2ccncc2)nn(C[N@@H+]2CCCC[C@@H]2CC(=O)[O-])c1=S ZINC000737051097 599839809 /nfs/dbraw/zinc/83/98/09/599839809.db2.gz PQBHZBCMCLXUNS-OAHLLOKOSA-N 0 2 375.498 3.173 20 0 GGADLN CCCn1c(-c2ccncc2)nn(C[N@H+]2CCCC[C@@H]2CC(=O)[O-])c1=S ZINC000737051097 599839811 /nfs/dbraw/zinc/83/98/11/599839811.db2.gz PQBHZBCMCLXUNS-OAHLLOKOSA-N 0 2 375.498 3.173 20 0 GGADLN COc1ccc(OCc2nn(C[N@@H+]3CCCC[C@H]3CC(=O)[O-])c(=S)o2)cc1 ZINC000738048940 599841124 /nfs/dbraw/zinc/84/11/24/599841124.db2.gz LAUNECDSRACTTH-ZDUSSCGKSA-N 0 2 393.465 3.080 20 0 GGADLN COc1ccc(OCc2nn(C[N@H+]3CCCC[C@H]3CC(=O)[O-])c(=S)o2)cc1 ZINC000738048940 599841126 /nfs/dbraw/zinc/84/11/26/599841126.db2.gz LAUNECDSRACTTH-ZDUSSCGKSA-N 0 2 393.465 3.080 20 0 GGADLN CSc1ccc([C@H](CC(=O)[O-])NC(=O)Cc2cn3cccc(C)c3[nH+]2)cc1 ZINC000738200962 599845466 /nfs/dbraw/zinc/84/54/66/599845466.db2.gz LOQKFZVKCWSYPQ-KRWDZBQOSA-N 0 2 383.473 3.239 20 0 GGADLN COc1ccc([C@H]([NH2+]CC(=O)N(C)[C@H](C)c2ccc(Cl)cc2)C(=O)[O-])cc1 ZINC000737965496 599857566 /nfs/dbraw/zinc/85/75/66/599857566.db2.gz XPGINYLHWNOSHY-YJYMSZOUSA-N 0 2 390.867 3.284 20 0 GGADLN COc1ccc([C@@H]([NH2+]CC(=O)N(C)[C@H](C)c2ccc(Cl)cc2)C(=O)[O-])cc1 ZINC000737965489 599857599 /nfs/dbraw/zinc/85/75/99/599857599.db2.gz XPGINYLHWNOSHY-BFUOFWGJSA-N 0 2 390.867 3.284 20 0 GGADLN COc1ccc([C@@H]([NH2+]CC(=O)N[C@@H](c2ccccc2)C2CCCC2)C(=O)[O-])cc1 ZINC000737970471 599860090 /nfs/dbraw/zinc/86/00/90/599860090.db2.gz JJMBOCRUPRLEPE-FCHUYYIVSA-N 0 2 396.487 3.458 20 0 GGADLN COc1ccc([C@H]([NH2+]CC(=O)Nc2cc(C)c(Cl)cc2OC)C(=O)[O-])cc1 ZINC000737969363 599860309 /nfs/dbraw/zinc/86/03/09/599860309.db2.gz GCFIQPZZISXWMY-SFHVURJKSA-N 0 2 392.839 3.020 20 0 GGADLN COc1ccc([C@H]([NH2+]CC(=O)N[C@H](c2ccccc2)C2CCCC2)C(=O)[O-])cc1 ZINC000737970486 599860540 /nfs/dbraw/zinc/86/05/40/599860540.db2.gz JJMBOCRUPRLEPE-YADHBBJMSA-N 0 2 396.487 3.458 20 0 GGADLN COc1ccc([C@H]([NH2+]CC(=O)Nc2c(Cl)cccc2Cl)C(=O)[O-])cc1 ZINC000737975468 599860589 /nfs/dbraw/zinc/86/05/89/599860589.db2.gz YJJKPNCNKFBGBZ-HNNXBMFYSA-N 0 2 383.231 3.356 20 0 GGADLN COc1ccc([C@@H]([NH2+]CC(=O)N(C)[C@H](C)c2cc3ccccc3o2)C(=O)[O-])cc1 ZINC000737964017 599861169 /nfs/dbraw/zinc/86/11/69/599861169.db2.gz DJWDJAKEBLFVMC-SPLOXXLWSA-N 0 2 396.443 3.376 20 0 GGADLN CCN(C(=O)C[NH2+][C@H](C(=O)[O-])c1ccc(OC)cc1)[C@H](C)c1ccc(F)cc1 ZINC000737060587 599861293 /nfs/dbraw/zinc/86/12/93/599861293.db2.gz NMLRQWHBWCACTP-VLIAUNLRSA-N 0 2 388.439 3.159 20 0 GGADLN COc1ccc([C@H]([NH2+]CC(=O)N(C)[C@H](C)c2cc3ccccc3o2)C(=O)[O-])cc1 ZINC000737964019 599861367 /nfs/dbraw/zinc/86/13/67/599861367.db2.gz DJWDJAKEBLFVMC-SZNDQCEHSA-N 0 2 396.443 3.376 20 0 GGADLN CC[C@H](NC(=O)C[NH2+][C@@H](C(=O)[O-])c1ccc(OC)cc1)c1ccc(Cl)cc1 ZINC000736911399 599862154 /nfs/dbraw/zinc/86/21/54/599862154.db2.gz VPNRGMUUSHCXQN-PKOBYXMFSA-N 0 2 390.867 3.331 20 0 GGADLN COc1ccc([C@@H]([NH2+]CC(=O)Nc2ccc(C(F)(F)F)cc2)C(=O)[O-])cc1 ZINC000737970016 599862793 /nfs/dbraw/zinc/86/27/93/599862793.db2.gz HOBXJBSNBNMRBD-MRXNPFEDSA-N 0 2 382.338 3.068 20 0 GGADLN 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RYXWOWKZWBXCSP-QWHCGFSZSA-N 0 2 392.887 3.433 20 0 GGADLN Cc1nn(C)c(Cl)c1[C@H]1CCC[N@@H+]1[C@@H](C)C(=O)c1[nH]c(C)c(C(=O)[O-])c1C ZINC000738916031 599974480 /nfs/dbraw/zinc/97/44/80/599974480.db2.gz RYXWOWKZWBXCSP-QWHCGFSZSA-N 0 2 392.887 3.433 20 0 GGADLN O=C([O-])[C@H]1C[N@H+](Cc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)CCO1 ZINC000676231158 599974726 /nfs/dbraw/zinc/97/47/26/599974726.db2.gz IDYNFVNRFWCCES-LJQANCHMSA-N 0 2 397.862 3.478 20 0 GGADLN O=C([O-])[C@H]1C[N@@H+](Cc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)CCO1 ZINC000676231158 599974729 /nfs/dbraw/zinc/97/47/29/599974729.db2.gz IDYNFVNRFWCCES-LJQANCHMSA-N 0 2 397.862 3.478 20 0 GGADLN O=C([O-])c1cc(Cl)cc(Cl)c1NC(=O)C[NH+]1CCC(n2cccn2)CC1 ZINC000739279380 599977752 /nfs/dbraw/zinc/97/77/52/599977752.db2.gz WOARQGOWSSQQHT-UHFFFAOYSA-N 0 2 397.262 3.164 20 0 GGADLN COc1cc2c(cc1OC)[C@H](CC(=O)[O-])[N@H+](Cc1nc3ccccc3o1)CC2 ZINC000574644217 599984581 /nfs/dbraw/zinc/98/45/81/599984581.db2.gz CVFIIQVHHMIHOW-INIZCTEOSA-N 0 2 382.416 3.419 20 0 GGADLN 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ZINC000736793182 600010536 /nfs/dbraw/zinc/01/05/36/600010536.db2.gz KMBIDNLQJZZIKU-IYXRBSQSSA-N 0 2 380.514 3.140 20 0 GGADLN C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)NC3CCC(C(=O)[O-])CC3)n2)C1 ZINC000736793182 600010540 /nfs/dbraw/zinc/01/05/40/600010540.db2.gz KMBIDNLQJZZIKU-IYXRBSQSSA-N 0 2 380.514 3.140 20 0 GGADLN CCOc1ccc(C[NH+]2CCN(C(=O)Nc3ccc(C(=O)[O-])c(C)c3)CC2)cc1 ZINC000737206116 600016405 /nfs/dbraw/zinc/01/64/05/600016405.db2.gz ZOIZBVLPEGZWDF-UHFFFAOYSA-N 0 2 397.475 3.442 20 0 GGADLN C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)NC2CCC(C(=O)[O-])CC2)C[C@H](C)O1 ZINC000736812499 600027406 /nfs/dbraw/zinc/02/74/06/600027406.db2.gz AXDQTFRSOZLSHJ-SFYZZRBRSA-N 0 2 389.496 3.061 20 0 GGADLN C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)NC2CCC(C(=O)[O-])CC2)C[C@H](C)O1 ZINC000736812499 600027412 /nfs/dbraw/zinc/02/74/12/600027412.db2.gz AXDQTFRSOZLSHJ-SFYZZRBRSA-N 0 2 389.496 3.061 20 0 GGADLN CC[C@@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cn1nc(C(=O)[O-])c2c(C)onc2c1=O ZINC000736929120 600033906 /nfs/dbraw/zinc/03/39/06/600033906.db2.gz OUMRXGIJQNAZBV-HOTGVXAUSA-N 0 2 396.447 3.007 20 0 GGADLN CC[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cn1nc(C(=O)[O-])c2c(C)onc2c1=O ZINC000736929120 600033910 /nfs/dbraw/zinc/03/39/10/600033910.db2.gz OUMRXGIJQNAZBV-HOTGVXAUSA-N 0 2 396.447 3.007 20 0 GGADLN CC[N@H+](CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-])Cc1ccc(Cl)s1 ZINC000737068779 600046339 /nfs/dbraw/zinc/04/63/39/600046339.db2.gz SVPIUXWJLUADDI-MRXNPFEDSA-N 0 2 392.908 3.262 20 0 GGADLN CC[N@@H+](CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-])Cc1ccc(Cl)s1 ZINC000737068779 600046340 /nfs/dbraw/zinc/04/63/40/600046340.db2.gz SVPIUXWJLUADDI-MRXNPFEDSA-N 0 2 392.908 3.262 20 0 GGADLN COc1ccc(OC)c([C@@H]2CCC[N@@H+]2CC(=O)Nc2cc(C(=O)[O-])ccc2C)c1 ZINC000738050397 600049502 /nfs/dbraw/zinc/04/95/02/600049502.db2.gz YWBDLPYFZLMAHQ-IBGZPJMESA-N 0 2 398.459 3.486 20 0 GGADLN COc1ccc(OC)c([C@@H]2CCC[N@H+]2CC(=O)Nc2cc(C(=O)[O-])ccc2C)c1 ZINC000738050397 600049505 /nfs/dbraw/zinc/04/95/05/600049505.db2.gz YWBDLPYFZLMAHQ-IBGZPJMESA-N 0 2 398.459 3.486 20 0 GGADLN COc1ccc(OC)c([C@@H]2CCC[N@@H+]2CC(=O)c2[nH]c(C)c(C(=O)[O-])c2C)c1 ZINC000738047359 600049569 /nfs/dbraw/zinc/04/95/69/600049569.db2.gz DZGLRGFCKLDPAJ-INIZCTEOSA-N 0 2 386.448 3.367 20 0 GGADLN COc1ccc(OC)c([C@@H]2CCC[N@H+]2CC(=O)c2[nH]c(C)c(C(=O)[O-])c2C)c1 ZINC000738047359 600049571 /nfs/dbraw/zinc/04/95/71/600049571.db2.gz DZGLRGFCKLDPAJ-INIZCTEOSA-N 0 2 386.448 3.367 20 0 GGADLN CC(C)C[C@H](C)N(C)C(=O)C[NH2+][C@](C)(C(=O)[O-])c1cccc(Br)c1 ZINC000736404305 600076956 /nfs/dbraw/zinc/07/69/56/600076956.db2.gz ZSVZOCMWQALYIM-UGSOOPFHSA-N 0 2 399.329 3.232 20 0 GGADLN Cc1cccc(NC(=O)C[NH2+][C@@](C)(C(=O)[O-])c2cccc(Br)c2)c1 ZINC000738735857 600077547 /nfs/dbraw/zinc/07/75/47/600077547.db2.gz UDAVRHRMBANUKC-GOSISDBHSA-N 0 2 391.265 3.286 20 0 GGADLN C[C@]([NH2+]CC(=O)NC1CCCCCC1)(C(=O)[O-])c1cccc(Br)c1 ZINC000736662287 600078472 /nfs/dbraw/zinc/07/84/72/600078472.db2.gz NICNWLPMHDRPIV-GOSISDBHSA-N 0 2 397.313 3.178 20 0 GGADLN CN(C(=O)C[NH2+][C@@](C)(C(=O)[O-])c1cccc(Br)c1)c1ccccc1 ZINC000737322952 600080798 /nfs/dbraw/zinc/08/07/98/600080798.db2.gz SRJLIVIDTCSSOD-GOSISDBHSA-N 0 2 391.265 3.002 20 0 GGADLN O=C([O-])c1ccc2c(c1)C[N@@H+](Cc1cccc(C(=O)NCc3ccco3)c1)C2 ZINC000740203646 600084499 /nfs/dbraw/zinc/08/44/99/600084499.db2.gz UIHWOHXOLUVIRJ-UHFFFAOYSA-N 0 2 376.412 3.424 20 0 GGADLN O=C([O-])c1ccc2c(c1)C[N@H+](Cc1cccc(C(=O)NCc3ccco3)c1)C2 ZINC000740203646 600084501 /nfs/dbraw/zinc/08/45/01/600084501.db2.gz UIHWOHXOLUVIRJ-UHFFFAOYSA-N 0 2 376.412 3.424 20 0 GGADLN Cc1[nH]c(C(=O)C[NH+]2CCC(N3c4ccccc4C[C@@H]3C)CC2)c(C)c1C(=O)[O-] ZINC000738233435 600091090 /nfs/dbraw/zinc/09/10/90/600091090.db2.gz NTKHRILMNIXFSZ-AWEZNQCLSA-N 0 2 395.503 3.428 20 0 GGADLN O=C([O-])c1cc(F)ccc1C[NH+]1CCN(C(=O)Cc2ccccc2Cl)CC1 ZINC000740079681 600091555 /nfs/dbraw/zinc/09/15/55/600091555.db2.gz QXIJTXPUJYLJIB-UHFFFAOYSA-N 0 2 390.842 3.064 20 0 GGADLN Cc1[nH]c(C(=O)[C@@H](C)[N@@H+]2CCC[C@H](c3noc(C(C)C)n3)C2)c(C)c1C(=O)[O-] ZINC000738235311 600091823 /nfs/dbraw/zinc/09/18/23/600091823.db2.gz HXYJDOCKVFBKJE-KGLIPLIRSA-N 0 2 388.468 3.287 20 0 GGADLN Cc1[nH]c(C(=O)[C@@H](C)[N@H+]2CCC[C@H](c3noc(C(C)C)n3)C2)c(C)c1C(=O)[O-] ZINC000738235311 600091826 /nfs/dbraw/zinc/09/18/26/600091826.db2.gz HXYJDOCKVFBKJE-KGLIPLIRSA-N 0 2 388.468 3.287 20 0 GGADLN COC(=O)c1cc(F)ccc1C[N@@H+]1CCN(c2ccc(C(=O)[O-])cc2)C[C@@H]1C ZINC000737654094 600092044 /nfs/dbraw/zinc/09/20/44/600092044.db2.gz NFLOOWWSLREEKE-AWEZNQCLSA-N 0 2 386.423 3.021 20 0 GGADLN COC(=O)c1cc(F)ccc1C[N@H+]1CCN(c2ccc(C(=O)[O-])cc2)C[C@@H]1C ZINC000737654094 600092047 /nfs/dbraw/zinc/09/20/47/600092047.db2.gz NFLOOWWSLREEKE-AWEZNQCLSA-N 0 2 386.423 3.021 20 0 GGADLN O=C([O-])c1cc(F)ccc1C[NH+]1CCN(C(=O)CCCc2ccccc2)CC1 ZINC000740079260 600092828 /nfs/dbraw/zinc/09/28/28/600092828.db2.gz MSQIWHQTMKYSJD-UHFFFAOYSA-N 0 2 384.451 3.191 20 0 GGADLN Cc1nc(C)c([C@H](C)[N@H+](C)CC(=O)NCc2ccc(NC(=O)[O-])cc2)s1 ZINC000738843734 600093467 /nfs/dbraw/zinc/09/34/67/600093467.db2.gz AATHHQAVMNOXDO-LBPRGKRZSA-N 0 2 376.482 3.159 20 0 GGADLN Cc1nc(C)c([C@H](C)[N@@H+](C)CC(=O)NCc2ccc(NC(=O)[O-])cc2)s1 ZINC000738843734 600093472 /nfs/dbraw/zinc/09/34/72/600093472.db2.gz AATHHQAVMNOXDO-LBPRGKRZSA-N 0 2 376.482 3.159 20 0 GGADLN O=C([O-])c1ccc(Cl)cc1S(=O)(=O)Nc1ccc(-n2cc[nH+]c2)cc1 ZINC000740133798 600106062 /nfs/dbraw/zinc/10/60/62/600106062.db2.gz DQHHENRSGWNTCO-UHFFFAOYSA-N 0 2 377.809 3.025 20 0 GGADLN O=C([O-])C1CCN(C(=O)C[N@@H+]2CCc3sccc3[C@@H]2c2cccs2)CC1 ZINC000566359739 600114032 /nfs/dbraw/zinc/11/40/32/600114032.db2.gz WPPARZXIDGUBOL-GOSISDBHSA-N 0 2 390.530 3.080 20 0 GGADLN O=C([O-])C1CCN(C(=O)C[N@H+]2CCc3sccc3[C@@H]2c2cccs2)CC1 ZINC000566359739 600114036 /nfs/dbraw/zinc/11/40/36/600114036.db2.gz WPPARZXIDGUBOL-GOSISDBHSA-N 0 2 390.530 3.080 20 0 GGADLN O=C([O-])CCSCc1cccc(NC(=O)NCc2cn3c([nH+]2)CCCC3)c1 ZINC000739753606 600124427 /nfs/dbraw/zinc/12/44/27/600124427.db2.gz DJABEMGSBNVHFX-UHFFFAOYSA-N 0 2 388.493 3.249 20 0 GGADLN O=C([O-])c1ccc(-c2nc(C[N@H+]3CCC[C@H]3[C@H](O)C(F)(F)F)cs2)cc1 ZINC000740099389 600133843 /nfs/dbraw/zinc/13/38/43/600133843.db2.gz XOYJSVYPMCJDDT-KBPBESRZSA-N 0 2 386.395 3.396 20 0 GGADLN O=C([O-])c1ccc(-c2nc(C[N@@H+]3CCC[C@H]3[C@H](O)C(F)(F)F)cs2)cc1 ZINC000740099389 600133845 /nfs/dbraw/zinc/13/38/45/600133845.db2.gz XOYJSVYPMCJDDT-KBPBESRZSA-N 0 2 386.395 3.396 20 0 GGADLN O=C([O-])c1cc(Cl)cc(Cl)c1NC(=O)CN1CCC(n2cc[nH+]c2)CC1 ZINC000739279415 600148287 /nfs/dbraw/zinc/14/82/87/600148287.db2.gz YSCRTXQDNFOJFH-UHFFFAOYSA-N 0 2 397.262 3.164 20 0 GGADLN O=C([O-])C1([NH2+]Cc2nc(Cc3cccc(Br)c3)no2)CCCCC1 ZINC000739520627 600152045 /nfs/dbraw/zinc/15/20/45/600152045.db2.gz WUMIOFUVNQNTJP-UHFFFAOYSA-N 0 2 394.269 3.300 20 0 GGADLN Cc1cccn2cc(CC(=O)Nc3ccc(C(=O)[O-])cc3OC(F)F)[nH+]c12 ZINC000738785964 600210321 /nfs/dbraw/zinc/21/03/21/600210321.db2.gz PJMSVPATSURSBS-UHFFFAOYSA-N 0 2 375.331 3.124 20 0 GGADLN Cc1ccc([C@@H]2CSCC[N@@H+]2CC(=O)NCc2ccc(NC(=O)[O-])cc2)cc1 ZINC000738582417 600218844 /nfs/dbraw/zinc/21/88/44/600218844.db2.gz JMWDYEGZQKYFRN-IBGZPJMESA-N 0 2 399.516 3.491 20 0 GGADLN Cc1ccc([C@@H]2CSCC[N@H+]2CC(=O)NCc2ccc(NC(=O)[O-])cc2)cc1 ZINC000738582417 600218846 /nfs/dbraw/zinc/21/88/46/600218846.db2.gz JMWDYEGZQKYFRN-IBGZPJMESA-N 0 2 399.516 3.491 20 0 GGADLN CCc1ccc(O[C@@H](C)C(=O)N2CC[NH+](Cc3cccc(C(=O)[O-])c3)CC2)cc1 ZINC000263498418 600261670 /nfs/dbraw/zinc/26/16/70/600261670.db2.gz UNSQKRKYJZNCAP-KRWDZBQOSA-N 0 2 396.487 3.059 20 0 GGADLN O=C([O-])c1ccc(NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)c(OC(F)F)c1 ZINC000740156213 600277293 /nfs/dbraw/zinc/27/72/93/600277293.db2.gz JOHFSZPAUAAMEM-UHFFFAOYSA-N 0 2 387.342 3.483 20 0 GGADLN Cc1c(Cl)c(C(=O)[O-])nn1C[NH+]1CCC(CN2CCc3ccccc32)CC1 ZINC000738287241 600281174 /nfs/dbraw/zinc/28/11/74/600281174.db2.gz DTAAWVZJBYBIHY-UHFFFAOYSA-N 0 2 388.899 3.275 20 0 GGADLN CCOC[C@@H]1CCC[N@H+](CC(=O)Nc2c(Cl)cc(Cl)cc2C(=O)[O-])C1 ZINC000737164310 600286515 /nfs/dbraw/zinc/28/65/15/600286515.db2.gz KVOACCVEFJCOFR-LLVKDONJSA-N 0 2 389.279 3.379 20 0 GGADLN CCOC[C@@H]1CCC[N@@H+](CC(=O)Nc2c(Cl)cc(Cl)cc2C(=O)[O-])C1 ZINC000737164310 600286516 /nfs/dbraw/zinc/28/65/16/600286516.db2.gz KVOACCVEFJCOFR-LLVKDONJSA-N 0 2 389.279 3.379 20 0 GGADLN CC(=O)c1oc2ccccc2c1NC(=O)[C@@H](C)[NH+]1CCC2(C[C@H]2C(=O)[O-])CC1 ZINC000736195867 600287872 /nfs/dbraw/zinc/28/78/72/600287872.db2.gz GJGPAHAUMWFLRF-DOMZBBRYSA-N 0 2 384.432 3.149 20 0 GGADLN O=C([O-])[C@@H]1CC12CC[NH+](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)CC2 ZINC000739279115 600303562 /nfs/dbraw/zinc/30/35/62/600303562.db2.gz TXOUWPPGDAOGPM-NSHDSACASA-N 0 2 390.789 3.484 20 0 GGADLN C[N@H+](CC(=O)Nc1ccc(Br)c(C(F)(F)F)c1)C(C)(C)C(=O)[O-] ZINC000737394390 600307999 /nfs/dbraw/zinc/30/79/99/600307999.db2.gz DVRAWXGZKVUVLP-UHFFFAOYSA-N 0 2 397.191 3.201 20 0 GGADLN C[N@@H+](CC(=O)Nc1ccc(Br)c(C(F)(F)F)c1)C(C)(C)C(=O)[O-] ZINC000737394390 600308001 /nfs/dbraw/zinc/30/80/01/600308001.db2.gz DVRAWXGZKVUVLP-UHFFFAOYSA-N 0 2 397.191 3.201 20 0 GGADLN Cc1cc(NC(=O)c2cccc(NC(=O)CCn3cc[nH+]c3)c2)sc1C(=O)[O-] ZINC000738451761 600370510 /nfs/dbraw/zinc/37/05/10/600370510.db2.gz JQTBRYUZBOKHMV-UHFFFAOYSA-N 0 2 398.444 3.232 20 0 GGADLN CCc1ncc(C[NH+]2CCN([C@H](C(=O)[O-])c3cccc(Cl)c3)CC2)s1 ZINC000737284276 600405325 /nfs/dbraw/zinc/40/53/25/600405325.db2.gz GCJBCWCEMLAFKV-KRWDZBQOSA-N 0 2 379.913 3.302 20 0 GGADLN CCc1ncc(C[NH+]2CCN([C@@H](C(=O)[O-])c3cccc(Cl)c3)CC2)s1 ZINC000737284278 600405664 /nfs/dbraw/zinc/40/56/64/600405664.db2.gz GCJBCWCEMLAFKV-QGZVFWFLSA-N 0 2 379.913 3.302 20 0 GGADLN CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F ZINC000736243564 600407605 /nfs/dbraw/zinc/40/76/05/600407605.db2.gz WQIFIRBJDUBZJR-AWEZNQCLSA-N 0 2 396.394 3.419 20 0 GGADLN CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)Nc1ccc(C(=O)[O-])cc1OC(F)F ZINC000736243567 600407839 /nfs/dbraw/zinc/40/78/39/600407839.db2.gz WQIFIRBJDUBZJR-CQSZACIVSA-N 0 2 396.394 3.419 20 0 GGADLN Cc1cc(Br)ccc1NC(=O)C[NH2+][C@H](C(=O)[O-])c1ccc(F)cc1 ZINC000738313151 600417506 /nfs/dbraw/zinc/41/75/06/600417506.db2.gz GPHUCMRQYPNBPX-INIZCTEOSA-N 0 2 395.228 3.251 20 0 GGADLN CC[N@H+](CCC(=O)[O-])Cn1nc(-c2ccco2)n(Cc2ccccc2)c1=S ZINC000737095690 600423009 /nfs/dbraw/zinc/42/30/09/600423009.db2.gz ANGAYNLWGZRDHG-UHFFFAOYSA-N 0 2 386.477 3.476 20 0 GGADLN CC[N@@H+](CCC(=O)[O-])Cn1nc(-c2ccco2)n(Cc2ccccc2)c1=S ZINC000737095690 600423010 /nfs/dbraw/zinc/42/30/10/600423010.db2.gz ANGAYNLWGZRDHG-UHFFFAOYSA-N 0 2 386.477 3.476 20 0 GGADLN CC[N@H+](CCC(=O)[O-])Cn1nc(-c2cccs2)n(C[C@@H]2CCCO2)c1=S ZINC000737096033 600425289 /nfs/dbraw/zinc/42/52/89/600425289.db2.gz IWDKXUZBCXSWES-ZDUSSCGKSA-N 0 2 396.538 3.076 20 0 GGADLN CC[N@@H+](CCC(=O)[O-])Cn1nc(-c2cccs2)n(C[C@@H]2CCCO2)c1=S ZINC000737096033 600425291 /nfs/dbraw/zinc/42/52/91/600425291.db2.gz IWDKXUZBCXSWES-ZDUSSCGKSA-N 0 2 396.538 3.076 20 0 GGADLN CC[N@H+](CCC(=O)[O-])Cn1nc(-c2ccc(Br)cc2)oc1=S ZINC000737097355 600425512 /nfs/dbraw/zinc/42/55/12/600425512.db2.gz XTWYZENQXUFJJE-UHFFFAOYSA-N 0 2 386.271 3.389 20 0 GGADLN CC[N@@H+](CCC(=O)[O-])Cn1nc(-c2ccc(Br)cc2)oc1=S ZINC000737097355 600425513 /nfs/dbraw/zinc/42/55/13/600425513.db2.gz XTWYZENQXUFJJE-UHFFFAOYSA-N 0 2 386.271 3.389 20 0 GGADLN O=C([O-])[C@@H]([NH2+]CC(=O)Nc1ccc(Br)cc1)c1cccc(Cl)c1 ZINC000739306095 600425970 /nfs/dbraw/zinc/42/59/70/600425970.db2.gz DXFKHAROSVUDGP-HNNXBMFYSA-N 0 2 397.656 3.457 20 0 GGADLN CC[N@H+](CCC(=O)[O-])Cn1nc(-c2cccnc2)n(-c2ccccc2)c1=S ZINC000737096331 600426079 /nfs/dbraw/zinc/42/60/79/600426079.db2.gz NCBLIYMXVATTGA-UHFFFAOYSA-N 0 2 383.477 3.219 20 0 GGADLN CC[N@@H+](CCC(=O)[O-])Cn1nc(-c2cccnc2)n(-c2ccccc2)c1=S ZINC000737096331 600426080 /nfs/dbraw/zinc/42/60/80/600426080.db2.gz NCBLIYMXVATTGA-UHFFFAOYSA-N 0 2 383.477 3.219 20 0 GGADLN O=C([O-])c1sccc1NC(=O)C[N@H+]1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000739275286 600431227 /nfs/dbraw/zinc/43/12/27/600431227.db2.gz ZLNKCFSLRFTETE-UHFFFAOYSA-N 0 2 382.445 3.050 20 0 GGADLN O=C([O-])c1sccc1NC(=O)C[N@@H+]1CC=C(c2c[nH]c3ncccc23)CC1 ZINC000739275286 600431230 /nfs/dbraw/zinc/43/12/30/600431230.db2.gz ZLNKCFSLRFTETE-UHFFFAOYSA-N 0 2 382.445 3.050 20 0 GGADLN CC[C@H]1C(=O)NCC[N@H+]1Cc1nc2ccccc2c(-c2ccccc2)c1C(=O)[O-] ZINC000736941332 600470613 /nfs/dbraw/zinc/47/06/13/600470613.db2.gz QASOREFWBQOCLI-IBGZPJMESA-N 0 2 389.455 3.310 20 0 GGADLN CC[C@H]1C(=O)NCC[N@@H+]1Cc1nc2ccccc2c(-c2ccccc2)c1C(=O)[O-] ZINC000736941332 600470615 /nfs/dbraw/zinc/47/06/15/600470615.db2.gz QASOREFWBQOCLI-IBGZPJMESA-N 0 2 389.455 3.310 20 0 GGADLN Cc1cn2cc(NC(=O)N3CCN(c4ccc(C(=O)[O-])cc4)C[C@@H]3C)ccc2[nH+]1 ZINC000738798401 600480578 /nfs/dbraw/zinc/48/05/78/600480578.db2.gz JUPAOYNMQUGPBO-HNNXBMFYSA-N 0 2 393.447 3.084 20 0 GGADLN Cc1[nH+]c2n(c1C)CCN(C(=O)Nc1cccc(CSCCC(=O)[O-])c1)C2 ZINC000738876379 600482293 /nfs/dbraw/zinc/48/22/93/600482293.db2.gz KECQQHRVEOJGAE-UHFFFAOYSA-N 0 2 388.493 3.256 20 0 GGADLN CC[C@]([NH2+]CC(=O)Nc1nc2ccc(F)cc2s1)(C(=O)[O-])c1ccccc1 ZINC000736919413 600499878 /nfs/dbraw/zinc/49/98/78/600499878.db2.gz YPQOIYJTGMDXBU-LJQANCHMSA-N 0 2 387.436 3.354 20 0 GGADLN CC(=O)N(c1nc(C[N@H+](Cc2ccccc2)C[C@@H](C)C(=O)[O-])cs1)C1CC1 ZINC000736129782 600505741 /nfs/dbraw/zinc/50/57/41/600505741.db2.gz FKYDSFIDICAAJL-CQSZACIVSA-N 0 2 387.505 3.381 20 0 GGADLN CC(=O)N(c1nc(C[N@@H+](Cc2ccccc2)C[C@@H](C)C(=O)[O-])cs1)C1CC1 ZINC000736129782 600505742 /nfs/dbraw/zinc/50/57/42/600505742.db2.gz FKYDSFIDICAAJL-CQSZACIVSA-N 0 2 387.505 3.381 20 0 GGADLN O=C([O-])c1ccc(NC(=O)N2CC[NH+](Cc3cccs3)CC2)cc1Cl ZINC000740150537 600517266 /nfs/dbraw/zinc/51/72/66/600517266.db2.gz SSZZHMAOVQKMGT-UHFFFAOYSA-N 0 2 379.869 3.449 20 0 GGADLN C[C@H](c1nc(-c2cccnc2)no1)[N@@H+]1CCN(c2ccc(C(=O)[O-])cc2)C[C@H]1C ZINC000736824697 600612731 /nfs/dbraw/zinc/61/27/31/600612731.db2.gz PLFIIJJIGKNSLZ-HUUCEWRRSA-N 0 2 393.447 3.102 20 0 GGADLN C[C@H](c1nc(-c2cccnc2)no1)[N@H+]1CCN(c2ccc(C(=O)[O-])cc2)C[C@H]1C ZINC000736824697 600612732 /nfs/dbraw/zinc/61/27/32/600612732.db2.gz PLFIIJJIGKNSLZ-HUUCEWRRSA-N 0 2 393.447 3.102 20 0 GGADLN CCN(CC)C(=O)[C@H]1CCC[N@@H+]1Cc1csc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000737078558 600613746 /nfs/dbraw/zinc/61/37/46/600613746.db2.gz OJMNVRUJAFSJND-QGZVFWFLSA-N 0 2 387.505 3.341 20 0 GGADLN CCN(CC)C(=O)[C@H]1CCC[N@H+]1Cc1csc(-c2ccc(C(=O)[O-])cc2)n1 ZINC000737078558 600613747 /nfs/dbraw/zinc/61/37/47/600613747.db2.gz OJMNVRUJAFSJND-QGZVFWFLSA-N 0 2 387.505 3.341 20 0 GGADLN O=C([O-])c1cc(Cl)cc(NC(=O)c2ccc(-n3cc[nH+]c3)c([N+](=O)[O-])c2)c1 ZINC000181867005 600620830 /nfs/dbraw/zinc/62/08/30/600620830.db2.gz UXQNMDKUGZNXMD-UHFFFAOYSA-N 0 2 386.751 3.384 20 0 GGADLN O=C([O-])c1ccc2c(c1)CN(C(=O)Nc1ccccc1OCCn1cc[nH+]c1)C2 ZINC000740199556 600627496 /nfs/dbraw/zinc/62/74/96/600627496.db2.gz QEUYXTMHDLHXEM-UHFFFAOYSA-N 0 2 392.415 3.208 20 0 GGADLN O=C([O-])Nc1ccc(CNC(=O)C[N@@H+]2CCSC[C@H]2c2ccccc2)cc1 ZINC000740024152 600630260 /nfs/dbraw/zinc/63/02/60/600630260.db2.gz AEHKVVQNEPUBQU-SFHVURJKSA-N 0 2 385.489 3.183 20 0 GGADLN O=C([O-])Nc1ccc(CNC(=O)C[N@H+]2CCSC[C@H]2c2ccccc2)cc1 ZINC000740024152 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O=C([O-])c1c(C2CC2)csc1NC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000738668567 601806407 /nfs/dbraw/zinc/80/64/07/601806407.db2.gz CEHQBPIVZVQNOW-INIZCTEOSA-N 0 2 386.473 3.163 20 0 GGADLN O=C([O-])c1c(C2CC2)csc1NC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000738668567 601806408 /nfs/dbraw/zinc/80/64/08/601806408.db2.gz CEHQBPIVZVQNOW-INIZCTEOSA-N 0 2 386.473 3.163 20 0 GGADLN O=C([O-])c1c(C2CC2)csc1NC(=O)[C@H]1C[N@H+](Cc2ccccc2)CCO1 ZINC000738668571 601806448 /nfs/dbraw/zinc/80/64/48/601806448.db2.gz CEHQBPIVZVQNOW-MRXNPFEDSA-N 0 2 386.473 3.163 20 0 GGADLN O=C([O-])c1c(C2CC2)csc1NC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CCO1 ZINC000738668571 601806449 /nfs/dbraw/zinc/80/64/49/601806449.db2.gz CEHQBPIVZVQNOW-MRXNPFEDSA-N 0 2 386.473 3.163 20 0 GGADLN O=C([O-])c1sccc1C[NH+]1CCN(C(=O)c2cccc(C(F)(F)F)c2)CC1 ZINC000833348209 601808183 /nfs/dbraw/zinc/80/81/83/601808183.db2.gz DLYRBOKIUFPXKH-UHFFFAOYSA-N 0 2 398.406 3.423 20 0 GGADLN C[C@H]1C[N@H+](Cn2nc(-c3ccc(Br)cc3)oc2=S)C[C@H]1C(=O)[O-] ZINC000828462536 601815185 /nfs/dbraw/zinc/81/51/85/601815185.db2.gz KNDONGRFWXMRMV-JOYOIKCWSA-N 0 2 398.282 3.245 20 0 GGADLN C[C@H]1C[N@@H+](Cn2nc(-c3ccc(Br)cc3)oc2=S)C[C@H]1C(=O)[O-] ZINC000828462536 601815187 /nfs/dbraw/zinc/81/51/87/601815187.db2.gz KNDONGRFWXMRMV-JOYOIKCWSA-N 0 2 398.282 3.245 20 0 GGADLN C[C@H]1C[N@H+](Cn2nc(-c3ccc(Br)cc3)oc2=S)C[C@@H]1C(=O)[O-] ZINC000828462534 601815386 /nfs/dbraw/zinc/81/53/86/601815386.db2.gz KNDONGRFWXMRMV-CABZTGNLSA-N 0 2 398.282 3.245 20 0 GGADLN C[C@H]1C[N@@H+](Cn2nc(-c3ccc(Br)cc3)oc2=S)C[C@@H]1C(=O)[O-] ZINC000828462534 601815388 /nfs/dbraw/zinc/81/53/88/601815388.db2.gz KNDONGRFWXMRMV-CABZTGNLSA-N 0 2 398.282 3.245 20 0 GGADLN C[C@@H]1C[N@H+](Cn2nc(-c3ccco3)n(Cc3ccccc3)c2=S)C[C@@H]1C(=O)[O-] ZINC000828461600 601816532 /nfs/dbraw/zinc/81/65/32/601816532.db2.gz ANDOAQMRQNEFKC-ZBFHGGJFSA-N 0 2 398.488 3.332 20 0 GGADLN C[C@@H]1C[N@@H+](Cn2nc(-c3ccco3)n(Cc3ccccc3)c2=S)C[C@@H]1C(=O)[O-] ZINC000828461600 601816534 /nfs/dbraw/zinc/81/65/34/601816534.db2.gz ANDOAQMRQNEFKC-ZBFHGGJFSA-N 0 2 398.488 3.332 20 0 GGADLN C[C@@H]1C[N@H+](Cn2nc(-c3cccc(Br)c3)oc2=S)C[C@H]1C(=O)[O-] ZINC000828461531 601817124 /nfs/dbraw/zinc/81/71/24/601817124.db2.gz ACROWNVVRJSUCW-BXKDBHETSA-N 0 2 398.282 3.245 20 0 GGADLN C[C@@H]1C[N@@H+](Cn2nc(-c3cccc(Br)c3)oc2=S)C[C@H]1C(=O)[O-] ZINC000828461531 601817125 /nfs/dbraw/zinc/81/71/25/601817125.db2.gz ACROWNVVRJSUCW-BXKDBHETSA-N 0 2 398.282 3.245 20 0 GGADLN C[C@H]1C[N@H+](Cn2nc(-c3ccccc3Br)oc2=S)C[C@@H]1C(=O)[O-] ZINC000828465330 601819309 /nfs/dbraw/zinc/81/93/09/601819309.db2.gz WZTLFTVKROOEGU-ONGXEEELSA-N 0 2 398.282 3.245 20 0 GGADLN C[C@H]1C[N@@H+](Cn2nc(-c3ccccc3Br)oc2=S)C[C@@H]1C(=O)[O-] ZINC000828465330 601819311 /nfs/dbraw/zinc/81/93/11/601819311.db2.gz WZTLFTVKROOEGU-ONGXEEELSA-N 0 2 398.282 3.245 20 0 GGADLN C[C@H]1C[N@H+](Cn2nc(Cc3c(F)cccc3Cl)oc2=S)C[C@@H]1C(=O)[O-] ZINC000828471637 601820337 /nfs/dbraw/zinc/82/03/37/601820337.db2.gz NHHLCXXVJGWWQW-ONGXEEELSA-N 0 2 385.848 3.199 20 0 GGADLN C[C@H]1C[N@@H+](Cn2nc(Cc3c(F)cccc3Cl)oc2=S)C[C@@H]1C(=O)[O-] ZINC000828471637 601820338 /nfs/dbraw/zinc/82/03/38/601820338.db2.gz NHHLCXXVJGWWQW-ONGXEEELSA-N 0 2 385.848 3.199 20 0 GGADLN CNC(=O)C[N@H+](Cc1ccsc1C(=O)[O-])Cc1cccc(C(F)(F)F)c1 ZINC000830987212 601828186 /nfs/dbraw/zinc/82/81/86/601828186.db2.gz GQOLYZNXUFTUCB-UHFFFAOYSA-N 0 2 386.395 3.213 20 0 GGADLN CNC(=O)C[N@@H+](Cc1ccsc1C(=O)[O-])Cc1cccc(C(F)(F)F)c1 ZINC000830987212 601828187 /nfs/dbraw/zinc/82/81/87/601828187.db2.gz GQOLYZNXUFTUCB-UHFFFAOYSA-N 0 2 386.395 3.213 20 0 GGADLN C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N3CCC(CCC(=O)[O-])CC3)n2)C1 ZINC000656600736 601838502 /nfs/dbraw/zinc/83/85/02/601838502.db2.gz LCUOMGWWTITEIT-CQSZACIVSA-N 0 2 394.541 3.484 20 0 GGADLN C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CCC(CCC(=O)[O-])CC3)n2)C1 ZINC000656600736 601838504 /nfs/dbraw/zinc/83/85/04/601838504.db2.gz LCUOMGWWTITEIT-CQSZACIVSA-N 0 2 394.541 3.484 20 0 GGADLN O=C([O-])Cc1csc(NC(=O)N[C@@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)n1 ZINC000833269472 601858068 /nfs/dbraw/zinc/85/80/68/601858068.db2.gz OMWRBINMCUODNU-NVXWUHKLSA-N 0 2 397.460 3.017 20 0 GGADLN O=C([O-])c1cccc(N2CC(=O)N(C[N@@H+]3CCC[C@H]3c3ccsc3)C2=O)c1 ZINC000833330451 601874573 /nfs/dbraw/zinc/87/45/73/601874573.db2.gz UCUFBCHOUPJQRT-INIZCTEOSA-N 0 2 385.445 3.010 20 0 GGADLN O=C([O-])c1cccc(N2CC(=O)N(C[N@H+]3CCC[C@H]3c3ccsc3)C2=O)c1 ZINC000833330451 601874575 /nfs/dbraw/zinc/87/45/75/601874575.db2.gz UCUFBCHOUPJQRT-INIZCTEOSA-N 0 2 385.445 3.010 20 0 GGADLN C[C@]1(C(=O)[O-])CC[N@H+](Cn2nc(-c3ccc(Br)cc3)oc2=S)C1 ZINC000828029043 601888949 /nfs/dbraw/zinc/88/89/49/601888949.db2.gz NXYKYHBRDOZCOC-HNNXBMFYSA-N 0 2 398.282 3.389 20 0 GGADLN C[C@]1(C(=O)[O-])CC[N@@H+](Cn2nc(-c3ccc(Br)cc3)oc2=S)C1 ZINC000828029043 601888950 /nfs/dbraw/zinc/88/89/50/601888950.db2.gz NXYKYHBRDOZCOC-HNNXBMFYSA-N 0 2 398.282 3.389 20 0 GGADLN COc1ccc(Cl)cc1-c1nc(=S)n(C[N@@H+]2CC[C@](C)(C(=O)[O-])C2)[nH]1 ZINC000832363141 601889680 /nfs/dbraw/zinc/88/96/80/601889680.db2.gz WSBJQTHGBDYTGG-INIZCTEOSA-N 0 2 382.873 3.024 20 0 GGADLN COc1ccc(Cl)cc1-c1nc(=S)n(C[N@H+]2CC[C@](C)(C(=O)[O-])C2)[nH]1 ZINC000832363141 601889681 /nfs/dbraw/zinc/88/96/81/601889681.db2.gz WSBJQTHGBDYTGG-INIZCTEOSA-N 0 2 382.873 3.024 20 0 GGADLN C[C@@]1(C(=O)[O-])CC[N@H+](Cn2nc(-c3ccc(OC(F)F)cc3)oc2=S)C1 ZINC000828029038 601890716 /nfs/dbraw/zinc/89/07/16/601890716.db2.gz NVPHPOCJQHQQGI-MRXNPFEDSA-N 0 2 385.392 3.228 20 0 GGADLN C[C@@]1(C(=O)[O-])CC[N@@H+](Cn2nc(-c3ccc(OC(F)F)cc3)oc2=S)C1 ZINC000828029038 601890719 /nfs/dbraw/zinc/89/07/19/601890719.db2.gz NVPHPOCJQHQQGI-MRXNPFEDSA-N 0 2 385.392 3.228 20 0 GGADLN C[C@]1(C(=O)[O-])CC[N@H+](Cn2nc(Cc3c(F)cccc3Cl)oc2=S)C1 ZINC000828035679 601896005 /nfs/dbraw/zinc/89/60/05/601896005.db2.gz WPXOHCUBEKTUOZ-INIZCTEOSA-N 0 2 385.848 3.343 20 0 GGADLN C[C@]1(C(=O)[O-])CC[N@@H+](Cn2nc(Cc3c(F)cccc3Cl)oc2=S)C1 ZINC000828035679 601896006 /nfs/dbraw/zinc/89/60/06/601896006.db2.gz WPXOHCUBEKTUOZ-INIZCTEOSA-N 0 2 385.848 3.343 20 0 GGADLN NC(=[NH+]OCC(=O)N[C@@H](c1ccccc1)C1CCCC1)c1cccc(C(=O)[O-])c1 ZINC000833078656 601903358 /nfs/dbraw/zinc/90/33/58/601903358.db2.gz NLJPLKOPTARPPZ-FQEVSTJZSA-N 0 2 395.459 3.279 20 0 GGADLN O=C([O-])c1ccc2c(=O)[nH]c(C[NH+]3CCC4(CC3)OCc3ccccc34)nc2c1 ZINC000833324735 601911340 /nfs/dbraw/zinc/91/13/40/601911340.db2.gz DRWUFUZIZTZOHD-UHFFFAOYSA-N 0 2 391.427 3.055 20 0 GGADLN O=C([O-])c1ccc(C[NH+]2CCN(C(=O)c3ccc(F)cc3Cl)CC2)s1 ZINC000833314525 601949168 /nfs/dbraw/zinc/94/91/68/601949168.db2.gz UBQJVFJEHNSVIY-UHFFFAOYSA-N 0 2 382.844 3.197 20 0 GGADLN COC(=O)c1ccc(CN2CC[N@H+](Cc3ccc(C(=O)[O-])s3)[C@H](C)C2)s1 ZINC000831379618 601961828 /nfs/dbraw/zinc/96/18/28/601961828.db2.gz SBTNEHREZXSCKY-GFCCVEGCSA-N 0 2 394.518 3.001 20 0 GGADLN COC(=O)c1ccc(CN2CC[N@@H+](Cc3ccc(C(=O)[O-])s3)[C@H](C)C2)s1 ZINC000831379618 601961830 /nfs/dbraw/zinc/96/18/30/601961830.db2.gz SBTNEHREZXSCKY-GFCCVEGCSA-N 0 2 394.518 3.001 20 0 GGADLN C[C@H]([NH2+][C@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1)C(=O)NCc1ccccc1 ZINC000827709494 601972330 /nfs/dbraw/zinc/97/23/30/601972330.db2.gz AELONZOKOPGRIF-ZBEGNZNMSA-N 0 2 381.259 3.414 20 0 GGADLN CN(Cc1ccccc1)C(=O)C[NH2+][C@@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1 ZINC000830853139 601972669 /nfs/dbraw/zinc/97/26/69/601972669.db2.gz XYCZSZVSNKIZJB-QGZVFWFLSA-N 0 2 381.259 3.367 20 0 GGADLN O=C([O-])Nc1cc(C(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)cc(C(F)(F)F)c1 ZINC000833280904 601999797 /nfs/dbraw/zinc/99/97/97/601999797.db2.gz CPIMYSISWNAYLH-CQSZACIVSA-N 0 2 382.342 3.469 20 0 GGADLN O=C([O-])[C@@H](c1cc(Cl)cc(Cl)c1)N1CC[NH+](Cc2ccccn2)CC1 ZINC000833169234 602033839 /nfs/dbraw/zinc/03/38/39/602033839.db2.gz AFDVMTOHJZXLLR-QGZVFWFLSA-N 0 2 380.275 3.332 20 0 GGADLN O=C([O-])[C@@H]1CC[N@H+](Cn2cc(Br)c(-c3ccc(Cl)cc3)n2)C1 ZINC000833191594 602122194 /nfs/dbraw/zinc/12/21/94/602122194.db2.gz PAZJCRFQSIPZMK-LLVKDONJSA-N 0 2 384.661 3.330 20 0 GGADLN O=C([O-])[C@@H]1CC[N@@H+](Cn2cc(Br)c(-c3ccc(Cl)cc3)n2)C1 ZINC000833191594 602122195 /nfs/dbraw/zinc/12/21/95/602122195.db2.gz PAZJCRFQSIPZMK-LLVKDONJSA-N 0 2 384.661 3.330 20 0 GGADLN Cc1ccc(-c2nn(C[N@@H+]3CC[C@@H](C(=O)[O-])C3)cc2Br)cc1C ZINC000832909087 602122252 /nfs/dbraw/zinc/12/22/52/602122252.db2.gz VWUCKFHPNTVNKY-CQSZACIVSA-N 0 2 378.270 3.293 20 0 GGADLN Cc1ccc(-c2nn(C[N@H+]3CC[C@@H](C(=O)[O-])C3)cc2Br)cc1C ZINC000832909087 602122254 /nfs/dbraw/zinc/12/22/54/602122254.db2.gz VWUCKFHPNTVNKY-CQSZACIVSA-N 0 2 378.270 3.293 20 0 GGADLN C[C@@H](CC(=O)[O-])C(=O)N(CCCn1cc[nH+]c1)Cc1c(F)cccc1Cl ZINC000827247634 602156888 /nfs/dbraw/zinc/15/68/88/602156888.db2.gz OZESQBOHBJOJEB-ZDUSSCGKSA-N 0 2 381.835 3.205 20 0 GGADLN CCn1c(-c2ccc(F)cc2)nn(C[N@H+](C[C@H](C)C(=O)[O-])C2CC2)c1=S ZINC000830403138 602192809 /nfs/dbraw/zinc/19/28/09/602192809.db2.gz KRRKIEZWPBYOAR-LBPRGKRZSA-N 0 2 378.473 3.383 20 0 GGADLN CCn1c(-c2ccc(F)cc2)nn(C[N@@H+](C[C@H](C)C(=O)[O-])C2CC2)c1=S ZINC000830403138 602192810 /nfs/dbraw/zinc/19/28/10/602192810.db2.gz KRRKIEZWPBYOAR-LBPRGKRZSA-N 0 2 378.473 3.383 20 0 GGADLN C[C@@H](C[N@H+](Cn1nc(-c2cccc(Cl)c2)n(C)c1=S)C1CC1)C(=O)[O-] ZINC000827456506 602192846 /nfs/dbraw/zinc/19/28/46/602192846.db2.gz YJWVYIHLEULIRY-NSHDSACASA-N 0 2 380.901 3.414 20 0 GGADLN C[C@@H](C[N@@H+](Cn1nc(-c2cccc(Cl)c2)n(C)c1=S)C1CC1)C(=O)[O-] ZINC000827456506 602192848 /nfs/dbraw/zinc/19/28/48/602192848.db2.gz YJWVYIHLEULIRY-NSHDSACASA-N 0 2 380.901 3.414 20 0 GGADLN C[C@H](C[N@@H+](Cc1ccccc1)Cn1nc(-c2ccccn2)n(C)c1=S)C(=O)[O-] ZINC000827455908 602193700 /nfs/dbraw/zinc/19/37/00/602193700.db2.gz PBEFVHKDBFGTHI-OAHLLOKOSA-N 0 2 397.504 3.193 20 0 GGADLN C[C@H](C[N@H+](Cc1ccccc1)Cn1nc(-c2ccccn2)n(C)c1=S)C(=O)[O-] ZINC000827455908 602193703 /nfs/dbraw/zinc/19/37/03/602193703.db2.gz PBEFVHKDBFGTHI-OAHLLOKOSA-N 0 2 397.504 3.193 20 0 GGADLN CCn1c(COc2ccc(C)cc2)nn(C[N@@H+]2CC[C@@](C)(C(=O)[O-])C2)c1=S ZINC000830411075 602200387 /nfs/dbraw/zinc/20/03/87/602200387.db2.gz APCWQQUEWJTBOM-LJQANCHMSA-N 0 2 390.509 3.076 20 0 GGADLN CCn1c(COc2ccc(C)cc2)nn(C[N@H+]2CC[C@@](C)(C(=O)[O-])C2)c1=S ZINC000830411075 602200390 /nfs/dbraw/zinc/20/03/90/602200390.db2.gz APCWQQUEWJTBOM-LJQANCHMSA-N 0 2 390.509 3.076 20 0 GGADLN O=C([O-])COc1ccc(NC(=O)NCCCNc2cccc[nH+]2)c2ccccc12 ZINC000833257586 602225423 /nfs/dbraw/zinc/22/54/23/602225423.db2.gz QYOSCTDIPBCOOU-UHFFFAOYSA-N 0 2 394.431 3.322 20 0 GGADLN COc1cccc(C=C2CC[NH+](CC(=O)NC3(C(=O)[O-])CCCCC3)CC2)c1 ZINC000832545587 602230736 /nfs/dbraw/zinc/23/07/36/602230736.db2.gz JZLWLXIPDUGLTR-UHFFFAOYSA-N 0 2 386.492 3.078 20 0 GGADLN Cc1ccc(C(=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@H](CC(=O)OC(C)(C)C)C1 ZINC000832916256 602231186 /nfs/dbraw/zinc/23/11/86/602231186.db2.gz NGXRHMRNCIMAQZ-OAHLLOKOSA-N 0 2 390.480 3.076 20 0 GGADLN Cc1ccc(C(=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@H](CC(=O)OC(C)(C)C)C1 ZINC000832916256 602231187 /nfs/dbraw/zinc/23/11/87/602231187.db2.gz NGXRHMRNCIMAQZ-OAHLLOKOSA-N 0 2 390.480 3.076 20 0 GGADLN Cc1nnc([C@@H]2CCC[N@H+](Cc3csc(-c4cccc(C(=O)[O-])c4)n3)C2)[nH]1 ZINC000832996934 602234000 /nfs/dbraw/zinc/23/40/00/602234000.db2.gz JNOUIGYAKJTHFR-OAHLLOKOSA-N 0 2 383.477 3.314 20 0 GGADLN Cc1nnc([C@@H]2CCC[N@@H+](Cc3csc(-c4cccc(C(=O)[O-])c4)n3)C2)[nH]1 ZINC000832996934 602234003 /nfs/dbraw/zinc/23/40/03/602234003.db2.gz JNOUIGYAKJTHFR-OAHLLOKOSA-N 0 2 383.477 3.314 20 0 GGADLN Cc1n[nH]c([C@@H]2CCC[N@H+](Cc3csc(-c4cccc(C(=O)[O-])c4)n3)C2)n1 ZINC000832996934 602234008 /nfs/dbraw/zinc/23/40/08/602234008.db2.gz JNOUIGYAKJTHFR-OAHLLOKOSA-N 0 2 383.477 3.314 20 0 GGADLN Cc1n[nH]c([C@@H]2CCC[N@@H+](Cc3csc(-c4cccc(C(=O)[O-])c4)n3)C2)n1 ZINC000832996934 602234013 /nfs/dbraw/zinc/23/40/13/602234013.db2.gz JNOUIGYAKJTHFR-OAHLLOKOSA-N 0 2 383.477 3.314 20 0 GGADLN O=C([O-])c1c(N2CCc3sccc3C2)nc[nH+]c1N1CCc2sccc2C1 ZINC000833294014 602294023 /nfs/dbraw/zinc/29/40/23/602294023.db2.gz KPTCWDZQKZHMLF-UHFFFAOYSA-N 0 2 398.513 3.423 20 0 GGADLN O=C([O-])C[N@H+](Cc1nnc(-c2ccc(Br)s2)o1)C1CCCC1 ZINC000314473314 602336832 /nfs/dbraw/zinc/33/68/32/602336832.db2.gz NTTXGLGEMDMVQS-UHFFFAOYSA-N 0 2 386.271 3.390 20 0 GGADLN O=C([O-])C[N@@H+](Cc1nnc(-c2ccc(Br)s2)o1)C1CCCC1 ZINC000314473314 602336835 /nfs/dbraw/zinc/33/68/35/602336835.db2.gz NTTXGLGEMDMVQS-UHFFFAOYSA-N 0 2 386.271 3.390 20 0 GGADLN O=C(C[N@@H+]1CCCC[C@H]1c1nc2ccccc2o1)NC1(C(=O)[O-])CCCCC1 ZINC000833105165 602342779 /nfs/dbraw/zinc/34/27/79/602342779.db2.gz JCGPOXSQQFZXMM-INIZCTEOSA-N 0 2 385.464 3.259 20 0 GGADLN O=C(C[N@H+]1CCCC[C@H]1c1nc2ccccc2o1)NC1(C(=O)[O-])CCCCC1 ZINC000833105165 602342782 /nfs/dbraw/zinc/34/27/82/602342782.db2.gz JCGPOXSQQFZXMM-INIZCTEOSA-N 0 2 385.464 3.259 20 0 GGADLN CC(C)c1cnc(C[N@H+](C)[C@H]2CCN(C(=O)Nc3ccc(C(=O)[O-])cc3)C2)o1 ZINC000827140060 602351027 /nfs/dbraw/zinc/35/10/27/602351027.db2.gz XOJCNPSBSBRHSV-INIZCTEOSA-N 0 2 386.452 3.234 20 0 GGADLN CC(C)c1cnc(C[N@@H+](C)[C@H]2CCN(C(=O)Nc3ccc(C(=O)[O-])cc3)C2)o1 ZINC000827140060 602351030 /nfs/dbraw/zinc/35/10/30/602351030.db2.gz XOJCNPSBSBRHSV-INIZCTEOSA-N 0 2 386.452 3.234 20 0 GGADLN CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)N1CC[C@@H](C)[C@H](n2cc[nH+]c2)C1 ZINC000827041674 602352364 /nfs/dbraw/zinc/35/23/64/602352364.db2.gz FPUIZGRGSKBDOR-RHSMWYFYSA-N 0 2 386.452 3.484 20 0 GGADLN C[C@@H]1CCN(C(=O)Nc2cccc(CSCC(=O)[O-])c2)C[C@H]1n1cc[nH+]c1 ZINC000828278066 602352737 /nfs/dbraw/zinc/35/27/37/602352737.db2.gz OIYUQVIJDZFFHP-RHSMWYFYSA-N 0 2 388.493 3.316 20 0 GGADLN COc1cccc([C@@H](C)[NH+]2CCN(C(=O)c3ccc(NC(=O)[O-])cc3)CC2)c1 ZINC000738089818 602362853 /nfs/dbraw/zinc/36/28/53/602362853.db2.gz DMGYBAZOMOLZSN-OAHLLOKOSA-N 0 2 383.448 3.304 20 0 GGADLN CN(C)c1ccc([NH+]2CCC(NC(=O)c3cccc(NC(=O)[O-])c3)CC2)cc1 ZINC000737375746 602783620 /nfs/dbraw/zinc/78/36/20/602783620.db2.gz MYINBRPOUZIAIV-UHFFFAOYSA-N 0 2 382.464 3.241 20 0 GGADLN O=C([O-])C1CCC(NC(=O)N[C@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)CC1 ZINC000263454560 604275607 /nfs/dbraw/zinc/27/56/07/604275607.db2.gz GZJQSXQSIGOIOH-HWMSQKFYSA-N 0 2 382.464 3.054 20 0 GGADLN C[C@H]1CN(c2ccc(C(=O)[O-])cc2)CC[N@@H+]1Cc1csc(N(C)C2CC2)n1 ZINC000828495312 604336771 /nfs/dbraw/zinc/33/67/71/604336771.db2.gz VOYZNOVKBGSGLD-AWEZNQCLSA-N 0 2 386.521 3.151 20 0 GGADLN C[C@H]1CN(c2ccc(C(=O)[O-])cc2)CC[N@H+]1Cc1csc(N(C)C2CC2)n1 ZINC000828495312 604336775 /nfs/dbraw/zinc/33/67/75/604336775.db2.gz VOYZNOVKBGSGLD-AWEZNQCLSA-N 0 2 386.521 3.151 20 0 GGADLN O=C([O-])[C@@H](c1cccc(Cl)c1)[NH+]1CCN(C(=O)c2cccc(F)c2F)CC1 ZINC000833173251 604342287 /nfs/dbraw/zinc/34/22/87/604342287.db2.gz PRDRXXPWWUPELV-QGZVFWFLSA-N 0 2 394.805 3.202 20 0 GGADLN O=C([O-])[C@H](c1cccc(Cl)c1)N1CC[NH+](C[C@H]2CC2(Cl)Cl)CC1 ZINC000833173744 604357497 /nfs/dbraw/zinc/35/74/97/604357497.db2.gz VMOVNPFWUSJDRD-OCCSQVGLSA-N 0 2 377.699 3.277 20 0 GGADLN O=C([O-])[C@H](c1cccc(Cl)c1)N1CC[NH+](C[C@@H]2CC2(Cl)Cl)CC1 ZINC000833173742 604357652 /nfs/dbraw/zinc/35/76/52/604357652.db2.gz VMOVNPFWUSJDRD-JSGCOSHPSA-N 0 2 377.699 3.277 20 0 GGADLN COC(=O)[C@@H](c1cccc(C(=O)[O-])c1)[NH+]1CCC(OCCc2ccccc2)CC1 ZINC000833700679 604473433 /nfs/dbraw/zinc/47/34/33/604473433.db2.gz DUTDCOUXRYWBMU-OAQYLSRUSA-N 0 2 397.471 3.323 20 0 GGADLN CCc1csc([C@H]2CCC[N@@H+]([C@@H](C(=O)OC)c3cccc(C(=O)[O-])c3)C2)n1 ZINC000833675979 604473607 /nfs/dbraw/zinc/47/36/07/604473607.db2.gz DGEPJALZLKOXMD-DOTOQJQBSA-N 0 2 388.489 3.497 20 0 GGADLN CCc1csc([C@H]2CCC[N@H+]([C@@H](C(=O)OC)c3cccc(C(=O)[O-])c3)C2)n1 ZINC000833675979 604473610 /nfs/dbraw/zinc/47/36/10/604473610.db2.gz DGEPJALZLKOXMD-DOTOQJQBSA-N 0 2 388.489 3.497 20 0 GGADLN CCc1csc([C@@H]2CCC[N@@H+]([C@@H](C(=O)OC)c3cccc(C(=O)[O-])c3)C2)n1 ZINC000833675980 604473776 /nfs/dbraw/zinc/47/37/76/604473776.db2.gz DGEPJALZLKOXMD-NVXWUHKLSA-N 0 2 388.489 3.497 20 0 GGADLN CCc1csc([C@@H]2CCC[N@H+]([C@@H](C(=O)OC)c3cccc(C(=O)[O-])c3)C2)n1 ZINC000833675980 604473777 /nfs/dbraw/zinc/47/37/77/604473777.db2.gz DGEPJALZLKOXMD-NVXWUHKLSA-N 0 2 388.489 3.497 20 0 GGADLN COC(=O)[C@@H](c1cccc(C(=O)[O-])c1)[NH+]1CCC(c2cccc(OC)c2)CC1 ZINC000833702792 604475535 /nfs/dbraw/zinc/47/55/35/604475535.db2.gz ZVFCQGRNIHELCC-HXUWFJFHSA-N 0 2 383.444 3.487 20 0 GGADLN COC(=O)[C@@H](c1cccc(C(=O)[O-])c1)[NH+]1CCC2(CC1)OCc1ccccc12 ZINC000833701011 604478345 /nfs/dbraw/zinc/47/83/45/604478345.db2.gz FZFPBZOJLDDDGO-LJQANCHMSA-N 0 2 381.428 3.120 20 0 GGADLN COc1c(C)c[nH+]c(CNC(=O)N[C@H](c2ccccc2)C(C)(C)C(=O)[O-])c1C ZINC000831852282 604486172 /nfs/dbraw/zinc/48/61/72/604486172.db2.gz WJGVTMJMCXWNND-GOSISDBHSA-N 0 2 385.464 3.358 20 0 GGADLN CC(C)c1cnc(C[N@H+](C)[C@H]2CCN(C(=O)Nc3cc(C(=O)[O-])cs3)C2)o1 ZINC000827140086 604501713 /nfs/dbraw/zinc/50/17/13/604501713.db2.gz XXDXNLFGZLZXCX-ZDUSSCGKSA-N 0 2 392.481 3.296 20 0 GGADLN CC(C)c1cnc(C[N@@H+](C)[C@H]2CCN(C(=O)Nc3cc(C(=O)[O-])cs3)C2)o1 ZINC000827140086 604501715 /nfs/dbraw/zinc/50/17/15/604501715.db2.gz XXDXNLFGZLZXCX-ZDUSSCGKSA-N 0 2 392.481 3.296 20 0 GGADLN C[N@@H+]1CC[C@H](NC(=O)c2cccc(C(=O)[O-])c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000263456839 604513460 /nfs/dbraw/zinc/51/34/60/604513460.db2.gz USXSKYNKKKLTSF-DLBZAZTESA-N 0 2 376.815 3.353 20 0 GGADLN C[N@H+]1CC[C@H](NC(=O)c2cccc(C(=O)[O-])c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000263456839 604513464 /nfs/dbraw/zinc/51/34/64/604513464.db2.gz USXSKYNKKKLTSF-DLBZAZTESA-N 0 2 376.815 3.353 20 0 GGADLN COc1ccc(C)cc1C[NH+]1CCN(C(=O)Nc2cc(C(=O)[O-])cs2)CC1 ZINC000832258799 604522072 /nfs/dbraw/zinc/52/20/72/604522072.db2.gz NJPWDOHBQCAMRJ-UHFFFAOYSA-N 0 2 389.477 3.113 20 0 GGADLN C[N@@H+]1CC[C@@H](NC(=O)c2ccc(C(=O)[O-])cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000263418382 604528285 /nfs/dbraw/zinc/52/82/85/604528285.db2.gz KMSYJFYAIGYWAW-SJORKVTESA-N 0 2 376.815 3.353 20 0 GGADLN C[N@H+]1CC[C@@H](NC(=O)c2ccc(C(=O)[O-])cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000263418382 604528288 /nfs/dbraw/zinc/52/82/88/604528288.db2.gz KMSYJFYAIGYWAW-SJORKVTESA-N 0 2 376.815 3.353 20 0 GGADLN CC(C)C[C@H](NC(=O)[O-])C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000833478401 604529126 /nfs/dbraw/zinc/52/91/26/604529126.db2.gz DZCSOYRTTOIRBF-OWCLPIDISA-N 0 2 385.867 3.023 20 0 GGADLN CC(C)C[C@H](NC(=O)[O-])C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000833478401 604529131 /nfs/dbraw/zinc/52/91/31/604529131.db2.gz DZCSOYRTTOIRBF-OWCLPIDISA-N 0 2 385.867 3.023 20 0 GGADLN C[C@@H](Oc1ccc(C[N@@H+]2CCC[C@H]2C(=O)OCc2ccccc2)cc1)C(=O)[O-] ZINC000833539514 604530550 /nfs/dbraw/zinc/53/05/50/604530550.db2.gz GRYDBQTXRFVUPH-UZLBHIALSA-N 0 2 383.444 3.246 20 0 GGADLN C[C@@H](Oc1ccc(C[N@H+]2CCC[C@H]2C(=O)OCc2ccccc2)cc1)C(=O)[O-] ZINC000833539514 604530552 /nfs/dbraw/zinc/53/05/52/604530552.db2.gz GRYDBQTXRFVUPH-UZLBHIALSA-N 0 2 383.444 3.246 20 0 GGADLN C[C@@H](Oc1ccc(C[N@H+](C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)cc1)C(=O)[O-] ZINC000833537746 604530867 /nfs/dbraw/zinc/53/08/67/604530867.db2.gz OMKBBHWYEFCCAO-LSDHHAIUSA-N 0 2 391.489 3.135 20 0 GGADLN C[C@@H](Oc1ccc(C[N@@H+](C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)cc1)C(=O)[O-] ZINC000833537746 604530869 /nfs/dbraw/zinc/53/08/69/604530869.db2.gz OMKBBHWYEFCCAO-LSDHHAIUSA-N 0 2 391.489 3.135 20 0 GGADLN C[C@@H](Oc1ccc(C[N@H+](C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)cc1)C(=O)[O-] ZINC000833537745 604531130 /nfs/dbraw/zinc/53/11/30/604531130.db2.gz OMKBBHWYEFCCAO-HUUCEWRRSA-N 0 2 391.489 3.135 20 0 GGADLN C[C@@H](Oc1ccc(C[N@@H+](C)[C@H](C)c2ccc(S(C)(=O)=O)cc2)cc1)C(=O)[O-] ZINC000833537745 604531135 /nfs/dbraw/zinc/53/11/35/604531135.db2.gz OMKBBHWYEFCCAO-HUUCEWRRSA-N 0 2 391.489 3.135 20 0 GGADLN C[C@H](Oc1ccc(C[NH+]2CCN(C(=O)CCC3CCCC3)CC2)cc1)C(=O)[O-] ZINC000833538436 604531909 /nfs/dbraw/zinc/53/19/09/604531909.db2.gz CJAOEJCYALUWAT-KRWDZBQOSA-N 0 2 388.508 3.153 20 0 GGADLN C[C@@H]1CCN(C(=O)N[C@@H](c2ccccc2)C(C)(C)C(=O)[O-])C[C@H]1n1cc[nH+]c1 ZINC000828278150 604536183 /nfs/dbraw/zinc/53/61/83/604536183.db2.gz PCCDWFUWLOWIEE-NXHRZFHOSA-N 0 2 384.480 3.328 20 0 GGADLN C[C@@H](C(=O)[O-])[C@@H]([NH2+]Cc1nnc(C(=O)Nc2ccccc2)s1)c1ccccc1 ZINC000833407794 604617241 /nfs/dbraw/zinc/61/72/41/604617241.db2.gz PUILVDOTGHGEEW-CXAGYDPISA-N 0 2 396.472 3.342 20 0 GGADLN C[C@@H](Oc1ccc(C[NH+]2CCN(C(=O)CC3CCCCC3)CC2)cc1)C(=O)[O-] ZINC000833540460 604623023 /nfs/dbraw/zinc/62/30/23/604623023.db2.gz KHGKYHPINOMKBO-QGZVFWFLSA-N 0 2 388.508 3.153 20 0 GGADLN C[C@H]1CCCN(c2cc(N3CCC(Nc4cccc(C(=O)[O-])c4)CC3)[nH+]cn2)C1 ZINC000582609844 604639925 /nfs/dbraw/zinc/63/99/25/604639925.db2.gz ORMFWLZBFRAZAU-INIZCTEOSA-N 0 2 395.507 3.492 20 0 GGADLN C[C@H]1CCCN(c2cc(N3CCC(Nc4cccc(C(=O)[O-])c4)CC3)nc[nH+]2)C1 ZINC000582609844 604639932 /nfs/dbraw/zinc/63/99/32/604639932.db2.gz ORMFWLZBFRAZAU-INIZCTEOSA-N 0 2 395.507 3.492 20 0 GGADLN O=C([O-])C1(CNC(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)CCCC1 ZINC000833766430 604661500 /nfs/dbraw/zinc/66/15/00/604661500.db2.gz CPSNPAMMFHZNNO-UHFFFAOYSA-N 0 2 380.448 3.368 20 0 GGADLN C[C@H](c1cccc(NC(=O)CCc2ccccc2C(=O)[O-])c1)[NH+]1CCOCC1 ZINC000833547385 604739540 /nfs/dbraw/zinc/73/95/40/604739540.db2.gz CMRVSSULRVDOIN-MRXNPFEDSA-N 0 2 382.460 3.349 20 0 GGADLN O=C([O-])C[C@H]1CCCN1C(=O)[C@H](c1ccc(Br)cc1)[NH+]1CCCC1 ZINC000833207250 604752017 /nfs/dbraw/zinc/75/20/17/604752017.db2.gz KXCMTUZNBWVCDG-WBVHZDCISA-N 0 2 395.297 3.052 20 0 GGADLN CCc1ccc(C[NH+]2CCN(C(=O)CCc3ccccc3C(=O)[O-])CC2)s1 ZINC000833670477 604755521 /nfs/dbraw/zinc/75/55/21/604755521.db2.gz QUCBGEVXVUNWTH-UHFFFAOYSA-N 0 2 386.517 3.286 20 0 GGADLN O=C([O-])[C@@H](O)C1CC[NH+](Cc2cc(Br)cc(C(F)(F)F)c2)CC1 ZINC000833770707 604763067 /nfs/dbraw/zinc/76/30/67/604763067.db2.gz LXKYVRKRYHKUSM-ZDUSSCGKSA-N 0 2 396.203 3.125 20 0 GGADLN COc1ccc(C)cc1NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(C(=O)[O-])cc1F ZINC000833730531 604766544 /nfs/dbraw/zinc/76/65/44/604766544.db2.gz FTIPDEMEKVSJSE-SFHVURJKSA-N 0 2 386.423 3.444 20 0 GGADLN COc1ccc(C)cc1NC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(C(=O)[O-])cc1F ZINC000833730531 604766545 /nfs/dbraw/zinc/76/65/45/604766545.db2.gz FTIPDEMEKVSJSE-SFHVURJKSA-N 0 2 386.423 3.444 20 0 GGADLN C[C@H](Oc1ccc(C[N@@H+]2C[C@@H](O)C[C@H]2c2cc(F)ccc2F)cc1)C(=O)[O-] ZINC000833537561 604773280 /nfs/dbraw/zinc/77/32/80/604773280.db2.gz 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CCN(CC)C(=O)CCC1CCN(C(=O)C2=NN(c3ccccc3)CC2=O)CC1 ZINC000180638359 1429947739 /nfs/dbraw/zinc/94/77/39/1429947739.db2.gz NEKNJUZKEDPDBN-UHFFFAOYSA-N 0 2 398.507 3.079 20 0 GGADLN CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)c1ccnc(OC2CCCCC2)c1 ZINC000180659738 1429961672 /nfs/dbraw/zinc/96/16/72/1429961672.db2.gz PBOWSOUBOASYBZ-UHFFFAOYSA-N 0 2 398.488 3.363 20 0 GGADLN CCOc1ccc2c(c1)CN(C(=O)C1=NN(c3ccc(OC)cc3)CC1=O)CC2 ZINC000180721307 1430000247 /nfs/dbraw/zinc/00/02/47/1430000247.db2.gz PYLNMZUPLXEBAP-UHFFFAOYSA-N 0 2 393.443 3.184 20 0 GGADLN COc1ccc(N2CC(=O)C(C(=O)N(C)[C@@H](C)c3sc(C)nc3C)=N2)cc1 ZINC000180761592 1430024450 /nfs/dbraw/zinc/02/44/50/1430024450.db2.gz BBSKZFDVKNYPIY-LBPRGKRZSA-N 0 2 386.477 3.493 20 0 GGADLN CCN(C[C@H](O)c1ccc(C)cc1)C(=O)C1=NN(c2ccc(F)cc2)CC1=O ZINC000180841769 1430066622 /nfs/dbraw/zinc/06/66/22/1430066622.db2.gz USNDULXAKFGDLN-SFHVURJKSA-N 0 2 383.423 3.221 20 0 GGADLN COc1ccc(N2CC(=O)C(C(=O)NCCc3cc4ccccc4[nH]3)=N2)cc1 ZINC000180873007 1430080737 /nfs/dbraw/zinc/08/07/37/1430080737.db2.gz SHFWNCVKPSGLHA-UHFFFAOYSA-N 0 2 376.416 3.040 20 0 GGADLN Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)C=Cc2ccccc2-c2nnn[n-]2)cc1 ZINC000822477091 1430097292 /nfs/dbraw/zinc/09/72/92/1430097292.db2.gz GCXDQCZNVBLYEJ-HMVFGEFZSA-N 0 2 399.458 3.251 20 0 GGADLN Cc1cc(S(=O)(=O)Nc2ccccc2S(=O)(=O)C(C)C)cnc1Cl ZINC000180977416 1430148247 /nfs/dbraw/zinc/14/82/47/1430148247.db2.gz RYQYRVNWXCCTIJ-UHFFFAOYSA-N 0 2 388.898 3.026 20 0 GGADLN CC[C@](C)([NH2+]Cc1ccc(-c2nnn[n-]2)cc1OC(F)F)c1nccs1 ZINC000820853907 1430156352 /nfs/dbraw/zinc/15/63/52/1430156352.db2.gz PTBQGHGZCPPXFO-INIZCTEOSA-N 0 2 380.424 3.340 20 0 GGADLN COc1ccc([C@@H]2CCN(C(=O)C3=NN(c4ccc(OC)cc4)CC3=O)C2)cc1 ZINC000181005128 1430162794 /nfs/dbraw/zinc/16/27/94/1430162794.db2.gz FTCDZTYTZNTRSK-MRXNPFEDSA-N 0 2 393.443 3.225 20 0 GGADLN O=C([N-]S(=O)(=O)c1ccccc1C(F)(F)F)c1ccc(-n2cc[nH+]c2)cc1 ZINC000181014715 1430167846 /nfs/dbraw/zinc/16/78/46/1430167846.db2.gz FVLOPOOBFMUXCD-UHFFFAOYSA-N 0 2 395.362 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COC[C@@H](Cc1ccccc1)N(C)C(=O)C1=NN(c2ccc(F)cc2)CC1=O ZINC000191420292 1432658791 /nfs/dbraw/zinc/65/87/91/1432658791.db2.gz FKDDKCQQNBVANF-GOSISDBHSA-N 0 2 383.423 3.047 20 0 GGADLN C[C@@H]1CN(c2ccccc2F)CCN1C(=O)C1=NN(c2ccc(F)cc2)CC1=O ZINC000191466774 1432667191 /nfs/dbraw/zinc/66/71/91/1432667191.db2.gz NBEUNSFQQKHYCK-CQSZACIVSA-N 0 2 398.413 3.207 20 0 GGADLN C[C@H]1CN(c2ccccc2F)CCN1C(=O)C1=NN(c2ccccc2)CC1=O ZINC000191470977 1432667509 /nfs/dbraw/zinc/66/75/09/1432667509.db2.gz ZDAYYWBZTPNPIY-HNNXBMFYSA-N 0 2 380.423 3.068 20 0 GGADLN Cc1cc(F)ccc1N1CC(=O)C(C(=O)N2CCC[C@]2(CO)CC(C)C)=N1 ZINC000191505115 1432674739 /nfs/dbraw/zinc/67/47/39/1432674739.db2.gz MGDJYSQZSSPNAT-HXUWFJFHSA-N 0 2 375.444 3.039 20 0 GGADLN CCOC(=O)c1oc2ccc(S(=O)(=O)Nc3c(C)n[nH]c3C)cc2c1C ZINC000191548054 1432681091 /nfs/dbraw/zinc/68/10/91/1432681091.db2.gz GQBSVBOUWHORMU-UHFFFAOYSA-N 0 2 377.422 3.059 20 0 GGADLN COc1ccc(NS(=O)(=O)c2cc(C(=O)NCC=C(C)C)ccc2F)cc1 ZINC000191734574 1432714433 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3.120 20 0 GGADLN C[C@@H]1CCN(C(=O)c2cc(-c3ccccc3)cc(Cl)c2O)CCS1(=O)=O ZINC000192323510 1432831701 /nfs/dbraw/zinc/83/17/01/1432831701.db2.gz TWXHVQHSPWDMIK-CYBMUJFWSA-N 0 2 393.892 3.362 20 0 GGADLN O=C(NCC(F)(F)F)c1ccc(NS(=O)(=O)c2ccc(F)cc2F)cc1 ZINC000192551879 1432858606 /nfs/dbraw/zinc/85/86/06/1432858606.db2.gz SQISHHHBDNIOML-UHFFFAOYSA-N 0 2 394.321 3.058 20 0 GGADLN CC[C@@H]1CN(Cc2nc(=O)c3sc(-c4ccc(OC)cc4)cc3[nH]2)CCO1 ZINC000192609429 1432865769 /nfs/dbraw/zinc/86/57/69/1432865769.db2.gz JMMKPJMHKATVNL-CQSZACIVSA-N 0 2 385.489 3.271 20 0 GGADLN CC1(C)Cc2cccc(S(=O)(=O)Nc3nnc(-c4ccccn4)s3)c2O1 ZINC000192619663 1432867111 /nfs/dbraw/zinc/86/71/11/1432867111.db2.gz CRQFROXESTVJCU-UHFFFAOYSA-N 0 2 388.474 3.114 20 0 GGADLN CC(C)c1nnc2ccc(NS(=O)(=O)c3cccc4c3OC(C)(C)C4)cn21 ZINC000192626002 1432867843 /nfs/dbraw/zinc/86/78/43/1432867843.db2.gz RSNUALIXCLGVIF-UHFFFAOYSA-N 0 2 386.477 3.367 20 0 GGADLN Cc1nn(C)c(C)c1S(=O)(=O)Nc1ncc(Cc2ccc(C)c(F)c2)s1 ZINC000192669534 1432873583 /nfs/dbraw/zinc/87/35/83/1432873583.db2.gz MRLOHIMDTXPFCJ-UHFFFAOYSA-N 0 2 394.497 3.333 20 0 GGADLN CCn1c(=O)c2ccc(C(=O)NCCO[C@@H]3CCCC[C@@H]3C)cc2[nH]c1=S ZINC000192695774 1432876418 /nfs/dbraw/zinc/87/64/18/1432876418.db2.gz FCTARNCSJBBCAW-SUMWQHHRSA-N 0 2 389.521 3.030 20 0 GGADLN CC(C)CCC[C@@H](C)NC(=O)CSc1nc(=O)cc(O)n1C1CCCC1 ZINC000192708859 1432877978 /nfs/dbraw/zinc/87/79/78/1432877978.db2.gz RFXNANOESUNYOR-CQSZACIVSA-N 0 2 381.542 3.487 20 0 GGADLN O=C(CSc1nc(=O)cc(O)n1C1CCCC1)N1CCC[C@@H]2CCCC[C@@H]21 ZINC000192708772 1432878021 /nfs/dbraw/zinc/87/80/21/1432878021.db2.gz XPCZQDLSWJGLLS-HOCLYGCPSA-N 0 2 391.537 3.337 20 0 GGADLN Cc1nn(C)c(C)c1S(=O)(=O)Nc1ncc(Cc2ccc(F)c(F)c2)s1 ZINC000192816716 1432894422 /nfs/dbraw/zinc/89/44/22/1432894422.db2.gz OFYUQRBTKFONDS-UHFFFAOYSA-N 0 2 398.460 3.163 20 0 GGADLN CC1CCC(N(C)C(=O)CSc2nc(=O)cc(O)n2C2CCCC2)CC1 ZINC000192938717 1432910615 /nfs/dbraw/zinc/91/06/15/1432910615.db2.gz KPJAHUJUVVMCHY-UHFFFAOYSA-N 0 2 379.526 3.193 20 0 GGADLN COc1ccc([C@@H](NC(=O)N(C)Cc2nc(=O)c3sccc3[nH]2)C2CC2)cc1 ZINC000192990247 1432918070 /nfs/dbraw/zinc/91/80/70/1432918070.db2.gz SPYMFIHPULXRKN-KRWDZBQOSA-N 0 2 398.488 3.286 20 0 GGADLN C[C@H]1Cc2ccccc2N1C(=O)CSc1nc(=O)cc(O)n1C1CCCC1 ZINC000193037225 1432925847 /nfs/dbraw/zinc/92/58/47/1432925847.db2.gz SJQIUHDSJRQWJZ-ZDUSSCGKSA-N 0 2 385.489 3.134 20 0 GGADLN O=C(CSc1nc(=O)cc(O)n1C1CCCC1)NCc1ccc(Cl)cc1 ZINC000193037064 1432925858 /nfs/dbraw/zinc/92/58/58/1432925858.db2.gz BHXZDRPXSMHKGI-UHFFFAOYSA-N 0 2 393.896 3.126 20 0 GGADLN CC(C)CN(CC(C)C)C(=O)CSc1nc(=O)cc(O)n1C1CCCC1 ZINC000193038188 1432925878 /nfs/dbraw/zinc/92/58/78/1432925878.db2.gz FZYPGRWOXOCADK-UHFFFAOYSA-N 0 2 381.542 3.297 20 0 GGADLN O=S(=O)(Nc1nnc(-c2cccs2)o1)c1cnc(-c2ccccc2)nc1 ZINC000193121353 1432939701 /nfs/dbraw/zinc/93/97/01/1432939701.db2.gz JKQHGZXXEBJBQP-UHFFFAOYSA-N 0 2 385.430 3.056 20 0 GGADLN CCOc1ccc(-c2nnc(NS(=O)(=O)c3cc(C)cc(F)c3)o2)cc1 ZINC000193121208 1432939710 /nfs/dbraw/zinc/93/97/10/1432939710.db2.gz LWMBRGYVWQYKJR-UHFFFAOYSA-N 0 2 377.397 3.384 20 0 GGADLN O=C(NCC1CC1)c1ccc2c(c1)[nH]c(=S)n(CCc1ccccc1)c2=O ZINC000193226853 1432962471 /nfs/dbraw/zinc/96/24/71/1432962471.db2.gz BMHWSNKHASOROR-UHFFFAOYSA-N 0 2 379.485 3.442 20 0 GGADLN Cc1ccc(S(=O)(=O)Nc2ccc(-c3nnc4n3CCC4)cc2)c(Cl)n1 ZINC000193310162 1432977164 /nfs/dbraw/zinc/97/71/64/1432977164.db2.gz CGXZPCKDBLSNSN-UHFFFAOYSA-N 0 2 389.868 3.049 20 0 GGADLN CCOCCOCc1cccc(NS(=O)(=O)c2ccc(C)nc2Cl)c1 ZINC000193315162 1432978062 /nfs/dbraw/zinc/97/80/62/1432978062.db2.gz UBZGKAJOJWOPTQ-UHFFFAOYSA-N 0 2 384.885 3.397 20 0 GGADLN Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)N3CCCCC3)c2)c(Cl)n1 ZINC000193316755 1432978391 /nfs/dbraw/zinc/97/83/91/1432978391.db2.gz XJJXVMSBPSHCBG-UHFFFAOYSA-N 0 2 393.896 3.470 20 0 GGADLN CC[C@H](C)NC(=O)c1ccc(NS(=O)(=O)c2ccc(C)nc2Cl)cc1 ZINC000193318332 1432978744 /nfs/dbraw/zinc/97/87/44/1432978744.db2.gz QPGWJJGWBHGQLI-NSHDSACASA-N 0 2 381.885 3.373 20 0 GGADLN CC(C)(C)n1cc(NS(=O)(=O)c2cc(Br)cnc2Cl)cn1 ZINC000193320302 1432978957 /nfs/dbraw/zinc/97/89/57/1432978957.db2.gz FJMYUXTZHHQYRC-UHFFFAOYSA-N 0 2 393.694 3.250 20 0 GGADLN Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)N3CCCC3)c2C)c(Cl)n1 ZINC000193321566 1432978989 /nfs/dbraw/zinc/97/89/89/1432978989.db2.gz RTPFAELSCSIRNB-UHFFFAOYSA-N 0 2 393.896 3.389 20 0 GGADLN Cc1ccsc1Cn1nccc1NS(=O)(=O)c1ccc(C)nc1Cl ZINC000193324250 1432979370 /nfs/dbraw/zinc/97/93/70/1432979370.db2.gz VOJRAMSBCAIRQD-UHFFFAOYSA-N 0 2 382.898 3.459 20 0 GGADLN Cc1ccc(S(=O)(=O)Nc2ccc(C)c(C(=O)NC(C)C)c2)c(Cl)n1 ZINC000193326740 1432979635 /nfs/dbraw/zinc/97/96/35/1432979635.db2.gz NNRCKRBLWPAQKZ-UHFFFAOYSA-N 0 2 381.885 3.291 20 0 GGADLN COCCn1ccc2ccc(NS(=O)(=O)c3ccc(C)nc3Cl)cc21 ZINC000193338770 1432981815 /nfs/dbraw/zinc/98/18/15/1432981815.db2.gz BBVIUANHANHBIH-UHFFFAOYSA-N 0 2 379.869 3.445 20 0 GGADLN O=S(=O)(Nc1ccccc1S(=O)(=O)Nc1ccccc1)c1ccccc1 ZINC000193338315 1432981901 /nfs/dbraw/zinc/98/19/01/1432981901.db2.gz ZWEUBBGFMCNZHE-UHFFFAOYSA-N 0 2 388.470 3.288 20 0 GGADLN O=C(NNC(=O)c1ccc(Cl)cc1Cl)c1ccoc1Br ZINC000193367070 1432986396 /nfs/dbraw/zinc/98/63/96/1432986396.db2.gz QPPHASOVKSUWJQ-UHFFFAOYSA-N 0 2 378.009 3.424 20 0 GGADLN CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)c1nc(-c2ccccc2)cs1 ZINC000193782063 1433058346 /nfs/dbraw/zinc/05/83/46/1433058346.db2.gz ZKWFQTBAXPJTCH-UHFFFAOYSA-N 0 2 382.470 3.380 20 0 GGADLN C[C@@H]1CCCC[C@H]1N(C)C(=O)CSc1nc(=O)cc(O)n1C1CCCC1 ZINC000193783523 1433058641 /nfs/dbraw/zinc/05/86/41/1433058641.db2.gz TUTWBMFKGAGWOX-UKRRQHHQSA-N 0 2 379.526 3.193 20 0 GGADLN C[C@H]1CCCC[C@@H]1N(C)C(=O)CSc1nc(=O)cc(O)n1C1CCCC1 ZINC000193783504 1433058661 /nfs/dbraw/zinc/05/86/61/1433058661.db2.gz TUTWBMFKGAGWOX-ZFWWWQNUSA-N 0 2 379.526 3.193 20 0 GGADLN O=C(CSc1nc(=O)cc(O)n1C1CCCC1)N(Cc1ccccc1)C1CC1 ZINC000193785202 1433059012 /nfs/dbraw/zinc/05/90/12/1433059012.db2.gz IYCZWZXSQKSYNY-UHFFFAOYSA-N 0 2 399.516 3.347 20 0 GGADLN CC(=O)Nc1ccc2nc(NS(=O)(=O)c3ccc(C)nc3Cl)sc2c1 ZINC000193812035 1433065145 /nfs/dbraw/zinc/06/51/45/1433065145.db2.gz GGDNLTBKHOIMSE-UHFFFAOYSA-N 0 2 396.881 3.412 20 0 GGADLN C[C@H](NC(=O)C1=NN(c2ccc(Cl)cc2)CC1=O)c1ccc(NC(N)=O)cc1 ZINC000193813733 1433065396 /nfs/dbraw/zinc/06/53/96/1433065396.db2.gz QVJDLYDDSZKITB-NSHDSACASA-N 0 2 399.838 3.213 20 0 GGADLN Cc1ccc(S(=O)(=O)Nc2nnc(Cc3cccc(F)c3)s2)c(Cl)n1 ZINC000193816695 1433066006 /nfs/dbraw/zinc/06/60/06/1433066006.db2.gz UGMDBHLZPOWRGI-UHFFFAOYSA-N 0 2 398.872 3.426 20 0 GGADLN COc1ccc(Br)cc1NC(=O)[C@@H](NC(=O)C(F)(F)F)C(C)C ZINC000193886233 1433078528 /nfs/dbraw/zinc/07/85/28/1433078528.db2.gz VYJVJGXSHPEAFB-NSHDSACASA-N 0 2 397.191 3.099 20 0 GGADLN O=C([N-]OCc1ccccc1)C(=O)Nc1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000193964484 1433093208 /nfs/dbraw/zinc/09/32/08/1433093208.db2.gz QREAEKJRTHNMIZ-UHFFFAOYSA-N 0 2 390.443 3.073 20 0 GGADLN CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)Nc1ccnn1-c1cccc(Cl)c1 ZINC000194028959 1433103871 /nfs/dbraw/zinc/10/38/71/1433103871.db2.gz UYKKOXDKEKRDCR-ZDUSSCGKSA-N 0 2 388.777 3.167 20 0 GGADLN O=C(C1=NN(c2ccc(Cl)cc2)CC1=O)N1CC[C@H](OCc2ccncc2)C1 ZINC000194133180 1433123290 /nfs/dbraw/zinc/12/32/90/1433123290.db2.gz RFFIZHLOZKHRFE-KRWDZBQOSA-N 0 2 398.850 3.058 20 0 GGADLN O=C(C1=NN(c2ccc(Cl)cc2)CC1=O)N1CCOC2(CCCCC2)C1 ZINC000194206843 1433139102 /nfs/dbraw/zinc/13/91/02/1433139102.db2.gz LADDPTKYINKXKG-UHFFFAOYSA-N 0 2 375.856 3.407 20 0 GGADLN Cc1c(NS(=O)(=O)c2cc(C)c(F)c([N+](=O)[O-])c2)cnn1C1CCCC1 ZINC000194224385 1433142387 /nfs/dbraw/zinc/14/23/87/1433142387.db2.gz YLVOLUZGKHRQSH-UHFFFAOYSA-N 0 2 382.417 3.463 20 0 GGADLN Cc1c(NS(=O)(=O)c2cc([N+](=O)[O-])cc(C)c2F)cnn1C1CCCC1 ZINC000194230053 1433144142 /nfs/dbraw/zinc/14/41/42/1433144142.db2.gz SDUJSZDPRGCGFL-UHFFFAOYSA-N 0 2 382.417 3.463 20 0 GGADLN C[C@@H](NC(=O)C1=NN(c2ccc(Cl)cc2)CC1=O)c1nc(C(C)(C)C)no1 ZINC000194230546 1433144679 /nfs/dbraw/zinc/14/46/79/1433144679.db2.gz ZESULGAFHDROAF-SNVBAGLBSA-N 0 2 389.843 3.403 20 0 GGADLN CCc1noc(-c2ccc(C)c(NC(=O)[C@@H](NC(=O)C(F)(F)F)C(C)C)c2)n1 ZINC000194279219 1433154381 /nfs/dbraw/zinc/15/43/81/1433154381.db2.gz CYAFYCBGKGNOFF-AWEZNQCLSA-N 0 2 398.385 3.249 20 0 GGADLN O=C(N[C@H]1CCOC2(CCCC2)C1)C1=NN(c2ccc(Cl)cc2)CC1=O ZINC000194362671 1433167182 /nfs/dbraw/zinc/16/71/82/1433167182.db2.gz SWQFDAVWEMOQTR-AWEZNQCLSA-N 0 2 375.856 3.453 20 0 GGADLN C[C@H](NC(=O)C1=NN(c2ccc(Cl)cc2)CC1=O)[C@@H](O)c1ccc(F)cc1 ZINC000194373768 1433168578 /nfs/dbraw/zinc/16/85/78/1433168578.db2.gz YIOUXNHPAUUSKP-BBATYDOGSA-N 0 2 389.814 3.222 20 0 GGADLN C[C@@H](NC(=O)C1=NN(c2ccc(Cl)cc2)CC1=O)[C@@H](O)c1ccc(F)cc1 ZINC000194373778 1433168619 /nfs/dbraw/zinc/16/86/19/1433168619.db2.gz YIOUXNHPAUUSKP-ADLMAVQZSA-N 0 2 389.814 3.222 20 0 GGADLN Cc1cc(C(F)(F)F)ccc1CNC(=O)[C@@H](NC(=O)C(F)(F)F)C(C)C ZINC000194564429 1433198202 /nfs/dbraw/zinc/19/82/02/1433198202.db2.gz SYWJYRWOPGKALK-LBPRGKRZSA-N 0 2 384.320 3.333 20 0 GGADLN CN(C)C(=O)c1ccc(S(=O)(=O)Nc2ccccc2OC(F)(F)F)cc1 ZINC000194600609 1433203972 /nfs/dbraw/zinc/20/39/72/1433203972.db2.gz MLEMRQWQBHTATE-UHFFFAOYSA-N 0 2 388.367 3.088 20 0 GGADLN CCOC(=O)c1ccccc1S(=O)(=O)Nc1cnc(Br)c(C)c1 ZINC000194660207 1433212475 /nfs/dbraw/zinc/21/24/75/1433212475.db2.gz LWYDBIDBYMZERP-UHFFFAOYSA-N 0 2 399.266 3.130 20 0 GGADLN CCn1c(=O)c2ccc(C(=O)Nc3nccn3-c3ccccc3)cc2[nH]c1=S ZINC000194725407 1433220622 /nfs/dbraw/zinc/22/06/22/1433220622.db2.gz BVYSMOWOCJDTMK-UHFFFAOYSA-N 0 2 391.456 3.143 20 0 GGADLN O=S(=O)(Nc1ccnn1Cc1ccc(F)cc1)c1cc(F)c(F)c(F)c1 ZINC000194765803 1433227011 /nfs/dbraw/zinc/22/70/11/1433227011.db2.gz PVUOBKJLSASVTG-UHFFFAOYSA-N 0 2 385.342 3.289 20 0 GGADLN Cc1ccccc1-c1nnc(NS(=O)(=O)c2cnn(-c3ccccc3)c2)o1 ZINC000194778959 1433229959 /nfs/dbraw/zinc/22/99/59/1433229959.db2.gz OTRRVHSKJYQPNS-UHFFFAOYSA-N 0 2 381.417 3.032 20 0 GGADLN Cc1ccccc1-c1nnc(NS(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)o1 ZINC000194777180 1433230000 /nfs/dbraw/zinc/23/00/00/1433230000.db2.gz ILLMDMQPERJNKK-UHFFFAOYSA-N 0 2 394.796 3.407 20 0 GGADLN 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/nfs/dbraw/zinc/21/75/45/1446217545.db2.gz VKXGZLCCHPLJPT-KDOFPFPSSA-N 0 2 385.493 3.159 20 0 GGADLN C[C@@H]1C[N@@H+](CCCOc2ccc(-c3nnn[n-]3)cc2)C[C@@H](c2ccsc2)O1 ZINC000820761014 1446217551 /nfs/dbraw/zinc/21/75/51/1446217551.db2.gz VKXGZLCCHPLJPT-KDOFPFPSSA-N 0 2 385.493 3.159 20 0 GGADLN CCc1c(C)sc(NC(=O)c2cccc(Cn3cc[nH+]c3)c2)c1-c1nnn[n-]1 ZINC000736676920 1446280985 /nfs/dbraw/zinc/28/09/85/1446280985.db2.gz VTEJJNQKBDUCCJ-UHFFFAOYSA-N 0 2 393.476 3.296 20 0 GGADLN Brc1ccc([C@@H]2CCCN2c2[nH+]cccc2-c2nnn[n-]2)s1 ZINC000823827204 1446368027 /nfs/dbraw/zinc/36/80/27/1446368027.db2.gz XIARLMMPCGGDJO-JTQLQIEISA-N 0 2 377.271 3.427 20 0 GGADLN Cn1ccnc1[C@@H]([NH2+]Cc1cccc(-c2nnn[n-]2)c1)c1ccc(Cl)cc1 ZINC000826363780 1446403332 /nfs/dbraw/zinc/40/33/32/1446403332.db2.gz BLHSKHYEWNBLIY-KRWDZBQOSA-N 0 2 379.855 3.133 20 0 GGADLN CC(C)n1ncc2cc(C[N@H+](C)Cc3ccc(-c4nnn[n-]4)cc3)c(Cl)nc21 ZINC000824378090 1446412746 /nfs/dbraw/zinc/41/27/46/1446412746.db2.gz YHWCEBDBHZDVNY-UHFFFAOYSA-N 0 2 396.886 3.478 20 0 GGADLN CC(C)n1ncc2cc(C[N@@H+](C)Cc3ccc(-c4nnn[n-]4)cc3)c(Cl)nc21 ZINC000824378090 1446412748 /nfs/dbraw/zinc/41/27/48/1446412748.db2.gz YHWCEBDBHZDVNY-UHFFFAOYSA-N 0 2 396.886 3.478 20 0 GGADLN Cn1cc[nH+]c1C[C@H](Nc1c(F)cc(-c2nnn[n-]2)cc1F)c1ccccc1 ZINC000822698773 1446425050 /nfs/dbraw/zinc/42/50/50/1446425050.db2.gz DZLMOLDCBPNNAT-INIZCTEOSA-N 0 2 381.390 3.274 20 0 GGADLN CCOc1ccc(C2(CNc3[nH+]c(C)ccc3-c3nnn[n-]3)CCOCC2)cc1 ZINC000825637969 1446569220 /nfs/dbraw/zinc/56/92/20/1446569220.db2.gz DIDXSDSOTBWBEV-UHFFFAOYSA-N 0 2 394.479 3.129 20 0 GGADLN Cc1ccc(C=Cc2[nH]n(CN(C)c3ccc(-c4nnn[n-]4)cc3)c(=S)[nH+]2)o1 ZINC000826285527 1446616719 /nfs/dbraw/zinc/61/67/19/1446616719.db2.gz BVNPYYCPBULOKY-KTKRTIGZSA-N 0 2 394.464 3.287 20 0 GGADLN CCOc1cc2c(cc1[C@@H]1C[C@H]1Nc1[nH+]ccc(C)c1-c1nnn[n-]1)O[C@@H](C)C2 ZINC000825616041 1446636689 /nfs/dbraw/zinc/63/66/89/1446636689.db2.gz UOQBIXSPMXZEIT-DUVNUKRYSA-N 0 2 392.463 3.260 20 0 GGADLN COCCCOc1cccc(CNc2[nH+]c3c(cc2-c2nnn[n-]2)CCCC3)c1 ZINC000826157253 1446769434 /nfs/dbraw/zinc/76/94/34/1446769434.db2.gz NADNUKBSSIPIND-UHFFFAOYSA-N 0 2 394.479 3.168 20 0 GGADLN Fc1ccc(C[N@@H+]2CCc3cccc(Br)c3C2)c(-c2nnn[n-]2)c1 ZINC000737650611 1446853394 /nfs/dbraw/zinc/85/33/94/1446853394.db2.gz TZLUZTHKTFWBBY-UHFFFAOYSA-N 0 2 388.244 3.327 20 0 GGADLN Fc1ccc(C[N@H+]2CCc3cccc(Br)c3C2)c(-c2nnn[n-]2)c1 ZINC000737650611 1446853396 /nfs/dbraw/zinc/85/33/96/1446853396.db2.gz TZLUZTHKTFWBBY-UHFFFAOYSA-N 0 2 388.244 3.327 20 0 GGADLN C[C@H]([NH2+]Cc1nc(-c2cccc(Cl)c2)no1)c1cccc(-c2nnn[n-]2)c1 ZINC000824626432 1446996118 /nfs/dbraw/zinc/99/61/18/1446996118.db2.gz OHHATBPLWGQWLJ-NSHDSACASA-N 0 2 381.827 3.421 20 0 GGADLN Cc1cc([NH+](C)C)ccc1NCc1cn(C)nc1-c1ccc(-c2nnn[n-]2)cc1 ZINC000826268675 1447072357 /nfs/dbraw/zinc/07/23/57/1447072357.db2.gz ITPWRQJXJLJOLQ-UHFFFAOYSA-N 0 2 388.479 3.254 20 0 GGADLN Clc1ccc2ncc(C[N@H+]3CC=C(c4ccc(-c5nnn[n-]5)cc4)CC3)n2c1 ZINC000826352578 1447084608 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ZINC000819883006 1449149597 /nfs/dbraw/zinc/14/95/97/1449149597.db2.gz DTBVIVZFGJNVEN-CQSZACIVSA-N 0 2 388.431 3.174 20 0 GGADLN C[C@H]([NH2+]Cc1nnc(-c2cccc(Cl)c2)o1)c1cccc(-c2nnn[n-]2)c1 ZINC000824633000 1449196165 /nfs/dbraw/zinc/19/61/65/1449196165.db2.gz GFVOFRYFDOQEQI-NSHDSACASA-N 0 2 381.827 3.421 20 0 GGADLN COc1ccc(Cl)cc1C[C@@H]1CCCN(c2[nH+]cccc2-c2nnn[n-]2)C1 ZINC000737100043 1449370549 /nfs/dbraw/zinc/37/05/49/1449370549.db2.gz QGPZDWCSTMXYDI-ZDUSSCGKSA-N 0 2 384.871 3.383 20 0 GGADLN Cc1c([C@H](C)Nc2[nH+]ccc(C)c2-c2nnn[n-]2)cnn1-c1ccc(F)cc1 ZINC000826311450 1449514236 /nfs/dbraw/zinc/51/42/36/1449514236.db2.gz FGYHXBXICQEVKN-LBPRGKRZSA-N 0 2 378.415 3.376 20 0 GGADLN Brc1cc(-c2nnn[n-]2)ccc1C[N@@H+]1CCOc2ccccc2C1 ZINC000823821506 1449531411 /nfs/dbraw/zinc/53/14/11/1449531411.db2.gz VOXGMWFOFRXJKO-UHFFFAOYSA-N 0 2 386.253 3.024 20 0 GGADLN Brc1cc(-c2nnn[n-]2)ccc1C[N@H+]1CCOc2ccccc2C1 ZINC000823821506 1449531415 /nfs/dbraw/zinc/53/14/15/1449531415.db2.gz VOXGMWFOFRXJKO-UHFFFAOYSA-N 0 2 386.253 3.024 20 0 GGADLN c1cn(Cc2ccccc2)c(C[N@H+]2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)n1 ZINC000823868120 1449572626 /nfs/dbraw/zinc/57/26/26/1449572626.db2.gz NVTBJNDHHWCRBR-UHFFFAOYSA-N 0 2 397.486 3.401 20 0 GGADLN c1cn(Cc2ccccc2)c(C[N@@H+]2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)n1 ZINC000823868120 1449572632 /nfs/dbraw/zinc/57/26/32/1449572632.db2.gz NVTBJNDHHWCRBR-UHFFFAOYSA-N 0 2 397.486 3.401 20 0 GGADLN CC(C)Sc1ccccc1C(=O)OCCNc1[nH+]cccc1-c1nnn[n-]1 ZINC000735921309 1449574779 /nfs/dbraw/zinc/57/47/79/1449574779.db2.gz ORYUHJYFCMBTBS-UHFFFAOYSA-N 0 2 384.465 3.031 20 0 GGADLN C[C@H]1C[C@H]([NH+](C)Cc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)CC[N@H+]1C ZINC000736231781 1449610953 /nfs/dbraw/zinc/61/09/53/1449610953.db2.gz XRXKNUDHAXRIFE-QFBILLFUSA-N 0 2 376.508 3.448 20 0 GGADLN C[C@H]1C[C@H]([N@H+](C)Cc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)CC[NH+]1C ZINC000736231781 1449610959 /nfs/dbraw/zinc/61/09/59/1449610959.db2.gz XRXKNUDHAXRIFE-QFBILLFUSA-N 0 2 376.508 3.448 20 0 GGADLN C[C@H]1C[C@H]([N@@H+](C)Cc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)CC[NH+]1C ZINC000736231781 1449610963 /nfs/dbraw/zinc/61/09/63/1449610963.db2.gz XRXKNUDHAXRIFE-QFBILLFUSA-N 0 2 376.508 3.448 20 0 GGADLN C[C@H](C(=O)Nc1cccc(F)c1)[N@H+]1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000824045001 1449623712 /nfs/dbraw/zinc/62/37/12/1449623712.db2.gz CQIUZOJPVMCRHO-CQSZACIVSA-N 0 2 392.438 3.122 20 0 GGADLN C[C@H](C(=O)Nc1cccc(F)c1)[N@@H+]1CC=C(c2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000824045001 1449623717 /nfs/dbraw/zinc/62/37/17/1449623717.db2.gz CQIUZOJPVMCRHO-CQSZACIVSA-N 0 2 392.438 3.122 20 0 GGADLN O=C(OCCNc1[nH+]cccc1-c1nnn[n-]1)c1sccc1-c1ccccc1 ZINC000738224415 1449657975 /nfs/dbraw/zinc/65/79/75/1449657975.db2.gz POCPHFJLBQEXFH-UHFFFAOYSA-N 0 2 392.444 3.259 20 0 GGADLN Cc1cc(NCc2cn(C)nc2-c2ccc(-c3nnn[n-]3)cc2)nc(C(C)C)[nH+]1 ZINC000826271544 1449790694 /nfs/dbraw/zinc/79/06/94/1449790694.db2.gz WGVDBMGPFWBSRB-UHFFFAOYSA-N 0 2 389.467 3.101 20 0 GGADLN O=C(OCCNc1[nH+]cccc1-c1nnn[n-]1)c1ccc(-c2ccccc2)cc1 ZINC000738223325 1449962150 /nfs/dbraw/zinc/96/21/50/1449962150.db2.gz HMDLUHXRICLZGO-UHFFFAOYSA-N 0 2 386.415 3.198 20 0 GGADLN COC[C@H]([NH2+][C@@H](C)c1ccc(-c2nnn[n-]2)cc1F)c1ccc(F)c(F)c1 ZINC000826150999 1450053972 /nfs/dbraw/zinc/05/39/72/1450053972.db2.gz QYBLPPDJDWXVCV-BTDLBPIBSA-N 0 2 377.370 3.322 20 0 GGADLN CCCCCC[C@](C)(CC)C(=O)N1CCN(c2[nH+]cccc2-c2nnn[n-]2)CC1 ZINC000821049002 1450063353 /nfs/dbraw/zinc/06/33/53/1450063353.db2.gz ITVUPMAHPGAEGN-NRFANRHFSA-N 0 2 399.543 3.297 20 0 GGADLN C[C@H](C[C@@H](O)c1ccc(F)cc1)Nc1[nH+]c2c(cc1-c1nnn[n-]1)CCCC2 ZINC000824390805 1450085301 /nfs/dbraw/zinc/08/53/01/1450085301.db2.gz DQECBIOEFDZRDV-KZULUSFZSA-N 0 2 382.443 3.204 20 0 GGADLN C[C@H](c1ccc(F)cc1)[N@H+](C)Cc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000820562816 1450135574 /nfs/dbraw/zinc/13/55/74/1450135574.db2.gz JBNSEFZOTYOGNM-GFCCVEGCSA-N 0 2 379.399 3.249 20 0 GGADLN C[C@H](c1ccc(F)cc1)[N@@H+](C)Cc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000820562816 1450135578 /nfs/dbraw/zinc/13/55/78/1450135578.db2.gz JBNSEFZOTYOGNM-GFCCVEGCSA-N 0 2 379.399 3.249 20 0 GGADLN COc1cccc(-c2noc([C@H](C)[NH2+][C@H](C)c3ccc(-c4nnn[n-]4)cc3)n2)c1 ZINC000821853923 1450429398 /nfs/dbraw/zinc/42/93/98/1450429398.db2.gz CYDRPACYRDYGSO-OLZOCXBDSA-N 0 2 391.435 3.337 20 0 GGADLN FC(F)Oc1ccc(NCCSCc2ccccc2-c2nnn[n-]2)[nH+]c1 ZINC000826369789 1450451006 /nfs/dbraw/zinc/45/10/06/1450451006.db2.gz QMNRFZXYHSNRJE-UHFFFAOYSA-N 0 2 378.408 3.208 20 0 GGADLN C[NH+](C)[C@@H](CNc1c(-c2nnn[n-]2)cnc2ccccc21)c1ccccc1Cl ZINC000736762766 1450508422 /nfs/dbraw/zinc/50/84/22/1450508422.db2.gz XCWLJQUBMCKYQX-SFHVURJKSA-N 0 2 393.882 3.205 20 0 GGADLN C[C@](NC(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1)(C(=O)[O-])C1CC1 ZINC000780399006 939116050 /nfs/dbraw/zinc/11/60/50/939116050.db2.gz RGGQJCMJENIPBY-DNVCBOLYSA-N 0 2 397.878 3.169 20 0 GGADLN C[C@@](NC(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1)(C(=O)[O-])C1CC1 ZINC000780399005 939116159 /nfs/dbraw/zinc/11/61/59/939116159.db2.gz RGGQJCMJENIPBY-BEFAXECRSA-N 0 2 397.878 3.169 20 0 GGADLN O=C([O-])C1(NC(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)CCCC1 ZINC000780398612 939116190 /nfs/dbraw/zinc/11/61/90/939116190.db2.gz OHJILYWDMLCRTM-HNNXBMFYSA-N 0 2 397.878 3.313 20 0 GGADLN O=C([O-])[C@H](NC(=O)c1ccc(-n2cc[nH+]c2)cc1)c1ccc(OC(F)F)cc1 ZINC000539604554 939284514 /nfs/dbraw/zinc/28/45/14/939284514.db2.gz WGBFTOLWHAOFPX-MRXNPFEDSA-N 0 2 387.342 3.029 20 0 GGADLN O=C([O-])[C@@H](NC(=O)c1ccc(-n2cc[nH+]c2)cc1)c1ccc(OC(F)F)cc1 ZINC000539604553 939284533 /nfs/dbraw/zinc/28/45/33/939284533.db2.gz WGBFTOLWHAOFPX-INIZCTEOSA-N 0 2 387.342 3.029 20 0 GGADLN Cc1cc(CNC(=O)N[C@@H](C(=O)[O-])c2cccc(C(F)(F)F)c2)cc(C)[nH+]1 ZINC000909026203 939372029 /nfs/dbraw/zinc/37/20/29/939372029.db2.gz PHOJFRXCKGNTEB-OAHLLOKOSA-N 0 2 381.354 3.342 20 0 GGADLN Cc1cc(C)c(CNC(=O)N[C@@H](C(=O)[O-])c2ccc(C(F)(F)F)cc2)c[nH+]1 ZINC000909166460 939386898 /nfs/dbraw/zinc/38/68/98/939386898.db2.gz HPIAZKKNRFDWQM-OAHLLOKOSA-N 0 2 381.354 3.342 20 0 GGADLN Cc1cc(C)c(CNC(=O)N[C@H](C(=O)[O-])c2ccc(C(F)(F)F)cc2)c[nH+]1 ZINC000909166453 939386964 /nfs/dbraw/zinc/38/69/64/939386964.db2.gz HPIAZKKNRFDWQM-HNNXBMFYSA-N 0 2 381.354 3.342 20 0 GGADLN CC[C@H](C(=O)N[C@@](CC)(C(=O)[O-])c1ccc(Cl)cc1)[N@@H+]1CCO[C@H](CC)C1 ZINC000909609696 939723750 /nfs/dbraw/zinc/72/37/50/939723750.db2.gz VRKGUDPDYSBQSH-MBOZVWFJSA-N 0 2 396.915 3.036 20 0 GGADLN CC[C@H](C(=O)N[C@@](CC)(C(=O)[O-])c1ccc(Cl)cc1)[N@H+]1CCO[C@H](CC)C1 ZINC000909609696 939723751 /nfs/dbraw/zinc/72/37/51/939723751.db2.gz VRKGUDPDYSBQSH-MBOZVWFJSA-N 0 2 396.915 3.036 20 0 GGADLN O=C([O-])[C@H](C(=O)Nc1nc2ccccc2n1CCCn1cc[nH+]c1)C1CCCC1 ZINC000663107820 939855742 /nfs/dbraw/zinc/85/57/42/939855742.db2.gz NUZXCZMEMWHLMK-SFHVURJKSA-N 0 2 395.463 3.153 20 0 GGADLN C[C@@H]1CC[N@H+](Cc2nnc(-c3ccccc3Br)o2)[C@@H](C(=O)[O-])C1 ZINC000322910727 970944099 /nfs/dbraw/zinc/94/40/99/970944099.db2.gz FRNPBJMJIBJUHD-ZWNOBZJWSA-N 0 2 380.242 3.184 20 0 GGADLN C[C@@H]1CC[N@@H+](Cc2nnc(-c3ccccc3Br)o2)[C@@H](C(=O)[O-])C1 ZINC000322910727 970944105 /nfs/dbraw/zinc/94/41/05/970944105.db2.gz FRNPBJMJIBJUHD-ZWNOBZJWSA-N 0 2 380.242 3.184 20 0 GGADLN O=C([O-])[C@@H](Cc1c[nH]c[nH+]1)NC(=O)c1sc2cc(Cl)ccc2c1Cl ZINC000323895211 971053188 /nfs/dbraw/zinc/05/31/88/971053188.db2.gz OIKVPKLWMFQFGJ-SNVBAGLBSA-N 0 2 384.244 3.357 20 0 GGADLN O=C([O-])[C@@H](Cc1c[nH+]c[nH]1)NC(=O)c1sc2cc(Cl)ccc2c1Cl ZINC000323895211 971053198 /nfs/dbraw/zinc/05/31/98/971053198.db2.gz OIKVPKLWMFQFGJ-SNVBAGLBSA-N 0 2 384.244 3.357 20 0 GGADLN C[N@H+](Cc1nnc(-c2ccc(Br)o2)o1)Cc1ccc(C(=O)[O-])cc1 ZINC000324167738 971091297 /nfs/dbraw/zinc/09/12/97/971091297.db2.gz DQPPPZVDNBWLIT-UHFFFAOYSA-N 0 2 392.209 3.422 20 0 GGADLN C[N@@H+](Cc1nnc(-c2ccc(Br)o2)o1)Cc1ccc(C(=O)[O-])cc1 ZINC000324167738 971091302 /nfs/dbraw/zinc/09/13/02/971091302.db2.gz DQPPPZVDNBWLIT-UHFFFAOYSA-N 0 2 392.209 3.422 20 0 GGADLN O=C([O-])c1ccc(Br)c(NC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)c1 ZINC001611531026 971098598 /nfs/dbraw/zinc/09/85/98/971098598.db2.gz PCMGSPQFYMTBNL-UHFFFAOYSA-N 0 2 393.241 3.282 20 0 GGADLN O=C([O-])c1ccc(Br)c(NC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)c1 ZINC001611531026 971098607 /nfs/dbraw/zinc/09/86/07/971098607.db2.gz PCMGSPQFYMTBNL-UHFFFAOYSA-N 0 2 393.241 3.282 20 0 GGADLN O=C([O-])[C@@]1(C(F)(F)F)CC[N@H+](CC(=O)Nc2ccc(Cl)c(Cl)c2)C1 ZINC000324505587 971126677 /nfs/dbraw/zinc/12/66/77/971126677.db2.gz OZQYSIDKMGDZLZ-CYBMUJFWSA-N 0 2 385.169 3.271 20 0 GGADLN O=C([O-])[C@@]1(C(F)(F)F)CC[N@@H+](CC(=O)Nc2ccc(Cl)c(Cl)c2)C1 ZINC000324505587 971126678 /nfs/dbraw/zinc/12/66/78/971126678.db2.gz OZQYSIDKMGDZLZ-CYBMUJFWSA-N 0 2 385.169 3.271 20 0 GGADLN CCC[N@H+](CC(=O)[O-])CC(=O)N1N=C(c2ccc(C)cc2)C[C@@H]1c1ccco1 ZINC001589667812 949915594 /nfs/dbraw/zinc/91/55/94/949915594.db2.gz WEQIKCPVWMZGOV-GOSISDBHSA-N 0 2 383.448 3.062 20 0 GGADLN CCC[N@@H+](CC(=O)[O-])CC(=O)N1N=C(c2ccc(C)cc2)C[C@@H]1c1ccco1 ZINC001589667812 949915614 /nfs/dbraw/zinc/91/56/14/949915614.db2.gz WEQIKCPVWMZGOV-GOSISDBHSA-N 0 2 383.448 3.062 20 0 GGADLN CCC[N@H+](CC(=O)OC(C)(C)C)Cc1ccc(N2CCC[C@H](C(=O)[O-])C2)o1 ZINC001589672113 949941917 /nfs/dbraw/zinc/94/19/17/949941917.db2.gz TXIGCEZSBXAVBP-HNNXBMFYSA-N 0 2 380.485 3.134 20 0 GGADLN CCC[N@@H+](CC(=O)OC(C)(C)C)Cc1ccc(N2CCC[C@H](C(=O)[O-])C2)o1 ZINC001589672113 949941934 /nfs/dbraw/zinc/94/19/34/949941934.db2.gz TXIGCEZSBXAVBP-HNNXBMFYSA-N 0 2 380.485 3.134 20 0 GGADLN CC[N@H+](CC(=O)Nc1cc(-c2ccccc2)nn1-c1ccccc1)[C@@H](C)C(=O)[O-] ZINC001589718690 950381206 /nfs/dbraw/zinc/38/12/06/950381206.db2.gz CZRPGHZKNJRUDJ-INIZCTEOSA-N 0 2 392.459 3.273 20 0 GGADLN CC[N@@H+](CC(=O)Nc1cc(-c2ccccc2)nn1-c1ccccc1)[C@@H](C)C(=O)[O-] ZINC001589718690 950381229 /nfs/dbraw/zinc/38/12/29/950381229.db2.gz CZRPGHZKNJRUDJ-INIZCTEOSA-N 0 2 392.459 3.273 20 0 GGADLN COc1ccc(Br)c([C@@H](CO)[N@H+](C)Cc2cccc(C(=O)[O-])c2)c1 ZINC000263404799 950443499 /nfs/dbraw/zinc/44/34/99/950443499.db2.gz JHHAJMXDQDEYPS-QGZVFWFLSA-N 0 2 394.265 3.321 20 0 GGADLN COc1ccc(Br)c([C@@H](CO)[N@@H+](C)Cc2cccc(C(=O)[O-])c2)c1 ZINC000263404799 950443504 /nfs/dbraw/zinc/44/35/04/950443504.db2.gz JHHAJMXDQDEYPS-QGZVFWFLSA-N 0 2 394.265 3.321 20 0 GGADLN C[C@H]1CCC[N@H+](Cc2csc(NC(=O)NCc3ccc(C(=O)[O-])cc3)n2)C1 ZINC000263457522 950473712 /nfs/dbraw/zinc/47/37/12/950473712.db2.gz CLOQCMCFWZSJKY-ZDUSSCGKSA-N 0 2 388.493 3.395 20 0 GGADLN C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)NCc3ccc(C(=O)[O-])cc3)n2)C1 ZINC000263457522 950473727 /nfs/dbraw/zinc/47/37/27/950473727.db2.gz CLOQCMCFWZSJKY-ZDUSSCGKSA-N 0 2 388.493 3.395 20 0 GGADLN CCOCN(C(=O)C[NH2+][C@](C)(C(=O)[O-])c1ccccc1)c1c(C)cccc1CC ZINC001591977416 951251860 /nfs/dbraw/zinc/25/18/60/951251860.db2.gz QFGLYVWAQLOSSB-QHCPKHFHSA-N 0 2 398.503 3.474 20 0 GGADLN CCOCN(C(=O)C[NH2+][C@@](C)(C(=O)[O-])c1ccccc1)c1c(C)cccc1CC ZINC001591977414 951252292 /nfs/dbraw/zinc/25/22/92/951252292.db2.gz QFGLYVWAQLOSSB-HSZRJFAPSA-N 0 2 398.503 3.474 20 0 GGADLN O=C([O-])CC[C@@H]1Cc2ccccc2N(C(=O)c2cc(-n3cc[nH+]c3)ccc2O)C1 ZINC001595025014 951337628 /nfs/dbraw/zinc/33/76/28/951337628.db2.gz WMDTWZSCWSCWLK-OAHLLOKOSA-N 0 2 391.427 3.262 20 0 GGADLN CCOc1ccccc1C[N@@H+]1CCN(C(=O)[C@@H](C(=O)[O-])C2CCCC2)[C@@H](C)C1 ZINC001593042431 951388421 /nfs/dbraw/zinc/38/84/21/951388421.db2.gz GWKRJCSBUXNOPF-JXFKEZNVSA-N 0 2 388.508 3.009 20 0 GGADLN CCOc1ccccc1C[N@H+]1CCN(C(=O)[C@@H](C(=O)[O-])C2CCCC2)[C@@H](C)C1 ZINC001593042431 951388428 /nfs/dbraw/zinc/38/84/28/951388428.db2.gz GWKRJCSBUXNOPF-JXFKEZNVSA-N 0 2 388.508 3.009 20 0 GGADLN O=C([O-])CCCCCNC(=O)[C@H](c1cccc(Br)c1)[NH+]1CCCC1 ZINC001595035864 951403382 /nfs/dbraw/zinc/40/33/82/951403382.db2.gz FLQKPRBYNWWYPK-KRWDZBQOSA-N 0 2 397.313 3.347 20 0 GGADLN O=C([O-])C[N@@H+](Cc1cc(Br)c(O)c(Br)c1)C1CCC1 ZINC001595072752 951613124 /nfs/dbraw/zinc/61/31/24/951613124.db2.gz JMZQGSBIZGGZBA-UHFFFAOYSA-N 0 2 393.075 3.356 20 0 GGADLN O=C([O-])C[N@H+](Cc1cc(Br)c(O)c(Br)c1)C1CCC1 ZINC001595072752 951613129 /nfs/dbraw/zinc/61/31/29/951613129.db2.gz JMZQGSBIZGGZBA-UHFFFAOYSA-N 0 2 393.075 3.356 20 0 GGADLN O=C([O-])Cc1ccccc1NC(=O)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC001595136473 952056422 /nfs/dbraw/zinc/05/64/22/952056422.db2.gz UMVVWQFFVMIZSF-MRXNPFEDSA-N 0 2 382.464 3.258 20 0 GGADLN O=C([O-])[C@@H]1CC[C@@H]1C(=O)N(CCCn1cc[nH+]c1)Cc1c(F)cccc1Cl ZINC001595172260 952226727 /nfs/dbraw/zinc/22/67/27/952226727.db2.gz RJSPRLVJRHILEY-UONOGXRCSA-N 0 2 393.846 3.205 20 0 GGADLN CC(C)(CCNC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1)C(=O)[O-] ZINC000424420469 953479877 /nfs/dbraw/zinc/47/98/77/953479877.db2.gz ZZUDUDCVBJQVCK-OAHLLOKOSA-N 0 2 399.894 3.244 20 0 GGADLN CC(C)(CCNC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1)C(=O)[O-] ZINC000424420469 953479884 /nfs/dbraw/zinc/47/98/84/953479884.db2.gz ZZUDUDCVBJQVCK-OAHLLOKOSA-N 0 2 399.894 3.244 20 0 GGADLN CCC(CC)(CNC(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1)C(=O)[O-] ZINC000424471088 953491039 /nfs/dbraw/zinc/49/10/39/953491039.db2.gz MTUDIIIKIPJXHU-ZDUSSCGKSA-N 0 2 382.530 3.388 20 0 GGADLN CCC(CC)(CNC(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1)C(=O)[O-] ZINC000424471088 953491045 /nfs/dbraw/zinc/49/10/45/953491045.db2.gz MTUDIIIKIPJXHU-ZDUSSCGKSA-N 0 2 382.530 3.388 20 0 GGADLN CCc1ccc([C@H](NC(=O)C[N@@H+]2CCC[C@]2(C)C(=O)[O-])c2cccs2)cc1 ZINC001593637373 953617873 /nfs/dbraw/zinc/61/78/73/953617873.db2.gz VKHFXTUDEGPNIF-PZJWPPBQSA-N 0 2 386.517 3.455 20 0 GGADLN CCc1ccc([C@H](NC(=O)C[N@H+]2CCC[C@]2(C)C(=O)[O-])c2cccs2)cc1 ZINC001593637373 953617884 /nfs/dbraw/zinc/61/78/84/953617884.db2.gz VKHFXTUDEGPNIF-PZJWPPBQSA-N 0 2 386.517 3.455 20 0 GGADLN CCc1ccc([C@@H](NC(=O)C[N@@H+]2CCC[C@@]2(C)C(=O)[O-])c2cccs2)cc1 ZINC001593637371 953618081 /nfs/dbraw/zinc/61/80/81/953618081.db2.gz VKHFXTUDEGPNIF-CTNGQTDRSA-N 0 2 386.517 3.455 20 0 GGADLN CCc1ccc([C@@H](NC(=O)C[N@H+]2CCC[C@@]2(C)C(=O)[O-])c2cccs2)cc1 ZINC001593637371 953618089 /nfs/dbraw/zinc/61/80/89/953618089.db2.gz VKHFXTUDEGPNIF-CTNGQTDRSA-N 0 2 386.517 3.455 20 0 GGADLN C[C@@H](C(=O)[O-])C(=O)N1CC[NH+]([C@@H](c2ccccc2)c2ccccc2Cl)CC1 ZINC000574637139 953680628 /nfs/dbraw/zinc/68/06/28/953680628.db2.gz CTOCGPAMEVWVJI-BEFAXECRSA-N 0 2 386.879 3.294 20 0 GGADLN Cc1ccc2[nH+]c(CSCC(=O)NC[C@](C)(C(=O)[O-])c3ccccc3)cn2c1 ZINC000593921517 953756676 /nfs/dbraw/zinc/75/66/76/953756676.db2.gz IGHDSDMFBXTRTF-NRFANRHFSA-N 0 2 397.500 3.035 20 0 GGADLN CCn1c(C[NH2+]Cc2ccc(N3CCC[C@@H](C(=O)[O-])C3)o2)nc2ccccc21 ZINC001593661241 953804900 /nfs/dbraw/zinc/80/49/00/953804900.db2.gz ZPTCDUYNFNWVOJ-OAHLLOKOSA-N 0 2 382.464 3.240 20 0 GGADLN Cn1nc(C(=O)[O-])cc1C[NH2+]Cc1nc2c(s1)C[C@@H](c1ccccc1)CC2 ZINC000635307379 953878779 /nfs/dbraw/zinc/87/87/79/953878779.db2.gz BHLIITVRGJKTSP-AWEZNQCLSA-N 0 2 382.489 3.137 20 0 GGADLN Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)N2CCC(C)(C(=O)[O-])CC2)c(C)c1 ZINC000646153564 953933779 /nfs/dbraw/zinc/93/37/79/953933779.db2.gz MASACEBIQLRIIN-SFHVURJKSA-N 0 2 384.480 3.138 20 0 GGADLN O=C([O-])[C@H]([NH2+][C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)c1ccc(F)cc1 ZINC001594841691 954084827 /nfs/dbraw/zinc/08/48/27/954084827.db2.gz ARDUBHYLFZDGIS-JKSUJKDBSA-N 0 2 380.778 3.139 20 0 GGADLN C[C@@H]1CCc2c(sc3nc(C[NH2+][C@H](Cc4ccccc4)C(=O)[O-])nc(N)c32)C1 ZINC001589362910 954164829 /nfs/dbraw/zinc/16/48/29/954164829.db2.gz AURTZHQOWUHBBT-IUODEOHRSA-N 0 2 396.516 3.184 20 0 GGADLN CC(C)[C@@H](CNC(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1)C(=O)[O-] ZINC000655861510 954245574 /nfs/dbraw/zinc/24/55/74/954245574.db2.gz QMOOUSGWUZYEOA-CZUORRHYSA-N 0 2 399.894 3.272 20 0 GGADLN C[C@@H](NC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655901334 954281622 /nfs/dbraw/zinc/28/16/22/954281622.db2.gz JIBFNEUZSJNBSZ-XJHIDQIASA-N 0 2 399.535 3.162 20 0 GGADLN C[C@H](NC(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655901336 954282234 /nfs/dbraw/zinc/28/22/34/954282234.db2.gz JIBFNEUZSJNBSZ-YYOILKIBSA-N 0 2 399.535 3.162 20 0 GGADLN O=C([O-])C1(CNC(=O)N(CCn2cc[nH+]c2)Cc2cccc(Cl)c2)CCC1 ZINC000659422865 954348112 /nfs/dbraw/zinc/34/81/12/954348112.db2.gz MXGMAKBFIWQCIH-UHFFFAOYSA-N 0 2 390.871 3.003 20 0 GGADLN O=C([O-])CN1CC[C@H]([N@@H+]2Cc3cc(Cl)ccc3C[C@@H]2c2ccccc2)C1=O ZINC000662206136 954379731 /nfs/dbraw/zinc/37/97/31/954379731.db2.gz ONFRZXWGVHWAGV-RBUKOAKNSA-N 0 2 384.863 3.125 20 0 GGADLN O=C([O-])CN1CC[C@H]([N@H+]2Cc3cc(Cl)ccc3C[C@@H]2c2ccccc2)C1=O ZINC000662206136 954379743 /nfs/dbraw/zinc/37/97/43/954379743.db2.gz ONFRZXWGVHWAGV-RBUKOAKNSA-N 0 2 384.863 3.125 20 0 GGADLN C[C@H](C(=O)Nc1ccc(F)cc1Cl)[N@H+]1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000662221144 954389603 /nfs/dbraw/zinc/38/96/03/954389603.db2.gz CSBLZWYFNMGYKE-IAQYHMDHSA-N 0 2 376.815 3.490 20 0 GGADLN C[C@H](C(=O)Nc1ccc(F)cc1Cl)[N@@H+]1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC000662221144 954389612 /nfs/dbraw/zinc/38/96/12/954389612.db2.gz CSBLZWYFNMGYKE-IAQYHMDHSA-N 0 2 376.815 3.490 20 0 GGADLN O=C([O-])CC1(C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)CCOCC1 ZINC000663066503 954439440 /nfs/dbraw/zinc/43/94/40/954439440.db2.gz 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YBWIGLKNSADJLF-FQEVSTJZSA-N 0 2 398.503 3.414 20 0 GGADLN O=C([O-])C1CCN(c2ccc(C[NH+]3CC(OCCCc4ccccc4)C3)o2)CC1 ZINC000904247667 956940996 /nfs/dbraw/zinc/94/09/96/956940996.db2.gz NZUWGZOGJWIBSI-UHFFFAOYSA-N 0 2 398.503 3.414 20 0 GGADLN CCOc1ccc(C[NH+]2CCN(C(=O)c3cc(C)cc(C(=O)[O-])c3)CC2)cc1 ZINC000911132479 957056326 /nfs/dbraw/zinc/05/63/26/957056326.db2.gz OMKKUILIURLHMJ-UHFFFAOYSA-N 0 2 382.460 3.050 20 0 GGADLN CC[C@]1(C(=O)[O-])CCC[N@@H+]([C@H](C)C(=O)Nc2c(F)c(F)c(F)c(F)c2F)C1 ZINC000923469767 957118753 /nfs/dbraw/zinc/11/87/53/957118753.db2.gz YFMRDDWJTYTCGV-RBHXEPJQSA-N 0 2 394.340 3.286 20 0 GGADLN CC[C@]1(C(=O)[O-])CCC[N@H+]([C@H](C)C(=O)Nc2c(F)c(F)c(F)c(F)c2F)C1 ZINC000923469767 957118759 /nfs/dbraw/zinc/11/87/59/957118759.db2.gz YFMRDDWJTYTCGV-RBHXEPJQSA-N 0 2 394.340 3.286 20 0 GGADLN O=C([O-])c1sc2cccc(F)c2c1C[NH+]1CCN(C[C@@H]2CCCO2)CC1 ZINC000022800523 957157023 /nfs/dbraw/zinc/15/70/23/957157023.db2.gz QBYQNPUAZRRREP-ZDUSSCGKSA-N 0 2 378.469 3.035 20 0 GGADLN 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O=C([O-])[C@@H]1CCCN(c2ccc(C[N@H+]3CCO[C@@H](c4ccccc4F)C3)o2)C1 ZINC001574652030 962446551 /nfs/dbraw/zinc/44/65/51/962446551.db2.gz RTALJWHQCAHCLB-DNVCBOLYSA-N 0 2 388.439 3.293 20 0 GGADLN O=C([O-])[C@@H]1CCCN(c2ccc(C[NH2+][C@H]3COc4ccc(Cl)cc43)o2)C1 ZINC001574652387 962449088 /nfs/dbraw/zinc/44/90/88/962449088.db2.gz WJNSWEZIZOAPPP-WBMJQRKESA-N 0 2 376.840 3.457 20 0 GGADLN O=C([O-])[C@@H]1CN(C(=O)N[C@H](Cn2cc[nH+]c2)c2ccccc2)Cc2ccccc21 ZINC001574658038 962480649 /nfs/dbraw/zinc/48/06/49/962480649.db2.gz QFBMRYRUWGTRMQ-WOJBJXKFSA-N 0 2 390.443 3.018 20 0 GGADLN O=C([O-])CC[C@@H](Cc1ccccc1)NC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC000263401250 962563668 /nfs/dbraw/zinc/56/36/68/962563668.db2.gz GQAOVUQEINZVDA-FQEVSTJZSA-N 0 2 391.471 3.066 20 0 GGADLN COC[C@]1(C(=O)[O-])C[N@H+](Cc2ccc(Oc3ccccc3F)c(F)c2)CCO1 ZINC001574145198 962611809 /nfs/dbraw/zinc/61/18/09/962611809.db2.gz FHMDZFGPJULAJB-FQEVSTJZSA-N 0 2 393.386 3.059 20 0 GGADLN COC[C@]1(C(=O)[O-])C[N@@H+](Cc2ccc(Oc3ccccc3F)c(F)c2)CCO1 ZINC001574145198 962611826 /nfs/dbraw/zinc/61/18/26/962611826.db2.gz FHMDZFGPJULAJB-FQEVSTJZSA-N 0 2 393.386 3.059 20 0 GGADLN COC[C@@]1(C(=O)[O-])C[N@H+](Cc2ccc(Oc3ccccc3F)c(F)c2)CCO1 ZINC001574145200 962612477 /nfs/dbraw/zinc/61/24/77/962612477.db2.gz FHMDZFGPJULAJB-HXUWFJFHSA-N 0 2 393.386 3.059 20 0 GGADLN COC[C@@]1(C(=O)[O-])C[N@@H+](Cc2ccc(Oc3ccccc3F)c(F)c2)CCO1 ZINC001574145200 962612489 /nfs/dbraw/zinc/61/24/89/962612489.db2.gz FHMDZFGPJULAJB-HXUWFJFHSA-N 0 2 393.386 3.059 20 0 GGADLN O=C([O-])CSCc1cccc(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccncc2)c1 ZINC001354041546 962695882 /nfs/dbraw/zinc/69/58/82/962695882.db2.gz PYQULIRZSKAGFC-IBGZPJMESA-N 0 2 399.516 3.393 20 0 GGADLN O=C([O-])CSCc1cccc(NC(=O)[C@@H]2CCCC[N@H+]2Cc2ccncc2)c1 ZINC001354041546 962695892 /nfs/dbraw/zinc/69/58/92/962695892.db2.gz PYQULIRZSKAGFC-IBGZPJMESA-N 0 2 399.516 3.393 20 0 GGADLN O=C([O-])C[N@H+](CC(=O)N1Cc2ccccc2[C@@H](c2ccccc2)C1)C1CCC1 ZINC001574711327 962716465 /nfs/dbraw/zinc/71/64/65/962716465.db2.gz WHNMRPFYBIQPBF-OAQYLSRUSA-N 0 2 378.472 3.100 20 0 GGADLN O=C([O-])C[N@@H+](CC(=O)N1Cc2ccccc2[C@@H](c2ccccc2)C1)C1CCC1 ZINC001574711327 962716485 /nfs/dbraw/zinc/71/64/85/962716485.db2.gz WHNMRPFYBIQPBF-OAQYLSRUSA-N 0 2 378.472 3.100 20 0 GGADLN O=C([O-])c1ccc(CNC(=O)N2CCC(c3[nH+]cc4n3CCCC4)CC2)cc1 ZINC000263474208 967895702 /nfs/dbraw/zinc/89/57/02/967895702.db2.gz MCJLRMDRCBMTIF-UHFFFAOYSA-N 0 2 382.464 3.007 20 0 GGADLN O=C([O-])CC1(C(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)CCC1 ZINC000570216565 968444490 /nfs/dbraw/zinc/44/44/90/968444490.db2.gz RKSYHSFLSVQEPK-OAHLLOKOSA-N 0 2 382.863 3.377 20 0 GGADLN Cc1ccc2[nH+]c(CSCC(=O)N3CC[C@@H](C(=O)[O-])c4ccccc43)cn2c1 ZINC000591349592 968485817 /nfs/dbraw/zinc/48/58/17/968485817.db2.gz DOTFUSZGECWCCH-QGZVFWFLSA-N 0 2 395.484 3.481 20 0 GGADLN Cc1ccc2[nH+]c(CSCC(=O)N3CC[C@H](C(=O)[O-])c4ccccc43)cn2c1 ZINC000591349591 968486568 /nfs/dbraw/zinc/48/65/68/968486568.db2.gz DOTFUSZGECWCCH-KRWDZBQOSA-N 0 2 395.484 3.481 20 0 GGADLN Cc1ccc2[nH+]c(CSCC(=O)N[C@H]3C[C@H](C(=O)[O-])c4ccccc43)cn2c1 ZINC000593924075 968494783 /nfs/dbraw/zinc/49/47/83/968494783.db2.gz UUJKFVVNEVSHCY-ROUUACIJSA-N 0 2 395.484 3.305 20 0 GGADLN O=C([O-])[C@H]1CC(=O)N(C2CC[NH+](Cc3csc(C4CCCCC4)n3)CC2)C1 ZINC000650499606 968598838 /nfs/dbraw/zinc/59/88/38/968598838.db2.gz XBNKHULGCQDEIT-HNNXBMFYSA-N 0 2 391.537 3.088 20 0 GGADLN CC[C@@H](C(=O)[O-])[N@H+](C)CC(=O)Nc1nc(-c2cc(C)c(C)cc2C)cs1 ZINC000650517771 968604651 /nfs/dbraw/zinc/60/46/51/968604651.db2.gz XROANAJZNRVVAA-INIZCTEOSA-N 0 2 375.494 3.469 20 0 GGADLN CC[C@@H](C(=O)[O-])[N@@H+](C)CC(=O)Nc1nc(-c2cc(C)c(C)cc2C)cs1 ZINC000650517771 968604656 /nfs/dbraw/zinc/60/46/56/968604656.db2.gz XROANAJZNRVVAA-INIZCTEOSA-N 0 2 375.494 3.469 20 0 GGADLN O=C([O-])[C@@]1(C(=O)Nc2nc3ccccc3n2CCCn2cc[nH+]c2)CC=CCC1 ZINC000653306200 968648308 /nfs/dbraw/zinc/64/83/08/968648308.db2.gz GBOIYIVBXUWPEZ-NRFANRHFSA-N 0 2 393.447 3.073 20 0 GGADLN 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Cc1cccc(C)c1NC(=O)C[N@H+](C)Cc1ccc(N2CCC[C@H](C(=O)[O-])C2)o1 ZINC001605335837 973222180 /nfs/dbraw/zinc/22/21/80/973222180.db2.gz SAEAWUBXKVYACU-KRWDZBQOSA-N 0 2 399.491 3.268 20 0 GGADLN C[C@H]1C[N@H+](Cc2ccc(N3CCC(C(=O)[O-])CC3)o2)CCN1Cc1ccccc1 ZINC001603460460 973287812 /nfs/dbraw/zinc/28/78/12/973287812.db2.gz GNRBKHMZZSUCHW-SFHVURJKSA-N 0 2 397.519 3.287 20 0 GGADLN C[C@H]1C[N@@H+](Cc2ccc(N3CCC(C(=O)[O-])CC3)o2)CCN1Cc1ccccc1 ZINC001603460460 973287819 /nfs/dbraw/zinc/28/78/19/973287819.db2.gz GNRBKHMZZSUCHW-SFHVURJKSA-N 0 2 397.519 3.287 20 0 GGADLN O=C([O-])CC[C@@H]1C[C@H](C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)CO1 ZINC001606112017 973328249 /nfs/dbraw/zinc/32/82/49/973328249.db2.gz RUQOOUPDYODKPR-MAUKXSAKSA-N 0 2 383.448 3.095 20 0 GGADLN O=C([O-])CN1CC[C@H]([NH2+][C@@H](c2ccccc2)c2cc(Cl)ccc2Cl)C1=O ZINC001606244028 973523950 /nfs/dbraw/zinc/52/39/50/973523950.db2.gz RDJIRAAIBPIGHX-WMZOPIPTSA-N 0 2 393.270 3.358 20 0 GGADLN 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GQVJTGLFQRSOPC-UHFFFAOYSA-N 0 2 379.460 3.221 20 0 GGADLN C[N@@H+](Cc1ccn(CCc2ccccc2)n1)Cc1ccc(OCC(=O)[O-])cc1 ZINC000563288348 974528917 /nfs/dbraw/zinc/52/89/17/974528917.db2.gz GQVJTGLFQRSOPC-UHFFFAOYSA-N 0 2 379.460 3.221 20 0 GGADLN O=C([O-])c1cn([C@H]2CCC[N@H+](Cc3csc(CCc4ccccc4)n3)C2)nn1 ZINC000577380656 974834622 /nfs/dbraw/zinc/83/46/22/974834622.db2.gz GVHPZQHQGWTZKN-KRWDZBQOSA-N 0 2 397.504 3.055 20 0 GGADLN O=C([O-])c1cn([C@H]2CCC[N@@H+](Cc3csc(CCc4ccccc4)n3)C2)nn1 ZINC000577380656 974834627 /nfs/dbraw/zinc/83/46/27/974834627.db2.gz GVHPZQHQGWTZKN-KRWDZBQOSA-N 0 2 397.504 3.055 20 0 GGADLN C[N@H+](Cc1nn(-c2ccccc2)c2c1CCC2)Cc1ccc(OCC(=O)[O-])cc1 ZINC000578515948 974857040 /nfs/dbraw/zinc/85/70/40/974857040.db2.gz QQMYMGSSPCVHRF-UHFFFAOYSA-N 0 2 391.471 3.456 20 0 GGADLN C[N@@H+](Cc1nn(-c2ccccc2)c2c1CCC2)Cc1ccc(OCC(=O)[O-])cc1 ZINC000578515948 974857045 /nfs/dbraw/zinc/85/70/45/974857045.db2.gz QQMYMGSSPCVHRF-UHFFFAOYSA-N 0 2 391.471 3.456 20 0 GGADLN C[C@@H](c1cn(-c2ccccc2)nn1)[NH+]1CCC(c2ncc(C(=O)[O-])s2)CC1 ZINC000629370969 975086166 /nfs/dbraw/zinc/08/61/66/975086166.db2.gz DBSWNPHJNGNZSW-ZDUSSCGKSA-N 0 2 383.477 3.363 20 0 GGADLN O=C([O-])c1cccc(OCCN2CC[NH+](Cc3cc4ccccc4[nH]3)CC2)c1 ZINC000629376817 975091131 /nfs/dbraw/zinc/09/11/31/975091131.db2.gz AQIJPSJMOMNWES-UHFFFAOYSA-N 0 2 379.460 3.063 20 0 GGADLN O=C([O-])c1ccc(CCC(=O)N2CC[NH+](Cc3cc4ccccc4[nH]3)CC2)cc1 ZINC000630302995 975240750 /nfs/dbraw/zinc/24/07/50/975240750.db2.gz IVLLHJUYGZJMRQ-UHFFFAOYSA-N 0 2 391.471 3.143 20 0 GGADLN O=C([O-])c1ccc(N2CCC(C(=O)N(Cc3ccccc3)C3CC3)CC2)[nH+]c1 ZINC000647450386 975363183 /nfs/dbraw/zinc/36/31/83/975363183.db2.gz NCZQKQLVEQYTCL-UHFFFAOYSA-N 0 2 379.460 3.187 20 0 GGADLN O=C([O-])c1ccc(N2CCC(O)(Cc3ccc(OC(F)(F)F)cc3)CC2)[nH+]c1 ZINC000647452562 975363809 /nfs/dbraw/zinc/36/38/09/975363809.db2.gz BIFMYPGFVFMQEF-UHFFFAOYSA-N 0 2 396.365 3.252 20 0 GGADLN O=C([O-])c1ccc(N2CCC[C@H](c3n[nH]cc3NC(=O)C3CCCC3)C2)[nH+]c1 ZINC000647452604 975364391 /nfs/dbraw/zinc/36/43/91/975364391.db2.gz DJGXVUUPRGRWER-HNNXBMFYSA-N 0 2 383.452 3.016 20 0 GGADLN CC(C)Nc1nn(C[N@@H+]2CC[C@@](C(=O)[O-])(c3ccccc3)C2)c(=S)s1 ZINC001591672237 975433897 /nfs/dbraw/zinc/43/38/97/975433897.db2.gz OXTRODXFJBQOFN-KRWDZBQOSA-N 0 2 378.523 3.180 20 0 GGADLN CC(C)Nc1nn(C[N@H+]2CC[C@@](C(=O)[O-])(c3ccccc3)C2)c(=S)s1 ZINC001591672237 975433900 /nfs/dbraw/zinc/43/39/00/975433900.db2.gz OXTRODXFJBQOFN-KRWDZBQOSA-N 0 2 378.523 3.180 20 0 GGADLN O=C([O-])[C@@H]1CC[C@H](C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(F)cc3Cl)C2)C1 ZINC000653298818 975579039 /nfs/dbraw/zinc/57/90/39/975579039.db2.gz LDHPXLSIHWROKG-WOSRLPQWSA-N 0 2 382.863 3.061 20 0 GGADLN O=C([O-])[C@@H]1CC[C@H](C(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3Cl)C2)C1 ZINC000653298818 975579051 /nfs/dbraw/zinc/57/90/51/975579051.db2.gz LDHPXLSIHWROKG-WOSRLPQWSA-N 0 2 382.863 3.061 20 0 GGADLN COc1cc(-c2noc(C[N@H+](CCc3ccccc3)CC(=O)[O-])n2)ccc1C ZINC000653357869 975592521 /nfs/dbraw/zinc/59/25/21/975592521.db2.gz CXKQLXYQYPLZAA-UHFFFAOYSA-N 0 2 381.432 3.183 20 0 GGADLN COc1cc(-c2noc(C[N@@H+](CCc3ccccc3)CC(=O)[O-])n2)ccc1C ZINC000653357869 975592528 /nfs/dbraw/zinc/59/25/28/975592528.db2.gz CXKQLXYQYPLZAA-UHFFFAOYSA-N 0 2 381.432 3.183 20 0 GGADLN CC(C)Oc1c(NC(=O)N2CC[C@@H](C)[C@H](n3cc[nH+]c3)C2)cccc1C(=O)[O-] ZINC001591744283 975767500 /nfs/dbraw/zinc/76/75/00/975767500.db2.gz LGPOCNPHSNSSHQ-RHSMWYFYSA-N 0 2 386.452 3.484 20 0 GGADLN CC(C)Oc1c(NC(=O)N2CC[C@H](C)[C@@H](n3cc[nH+]c3)C2)cccc1C(=O)[O-] ZINC001591744285 975767963 /nfs/dbraw/zinc/76/79/63/975767963.db2.gz LGPOCNPHSNSSHQ-YOEHRIQHSA-N 0 2 386.452 3.484 20 0 GGADLN CC(C)Oc1c(NC(=O)NC[C@H]2c3ccccc3C[N@H+]2C)cccc1C(=O)[O-] ZINC001591746466 975784694 /nfs/dbraw/zinc/78/46/94/975784694.db2.gz HUGPXPWHNZJXBC-SFHVURJKSA-N 0 2 383.448 3.480 20 0 GGADLN CC(C)Oc1c(NC(=O)NC[C@H]2c3ccccc3C[N@@H+]2C)cccc1C(=O)[O-] ZINC001591746466 975784706 /nfs/dbraw/zinc/78/47/06/975784706.db2.gz HUGPXPWHNZJXBC-SFHVURJKSA-N 0 2 383.448 3.480 20 0 GGADLN CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)N1CCC(c2c[nH+]cn2C)CC1 ZINC001591763417 975869448 /nfs/dbraw/zinc/86/94/48/975869448.db2.gz TXYAWEVYTJJOHU-UHFFFAOYSA-N 0 2 386.452 3.317 20 0 GGADLN CC(C)c1nc(NC(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)sc1C(=O)[O-] ZINC001592021939 976717310 /nfs/dbraw/zinc/71/73/10/976717310.db2.gz JDQMPEWABHSLAQ-QMMMGPOBSA-N 0 2 376.360 3.293 20 0 GGADLN CC(C)c1nc(NC(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)sc1C(=O)[O-] ZINC001592021937 976717362 /nfs/dbraw/zinc/71/73/62/976717362.db2.gz JDQMPEWABHSLAQ-MRVPVSSYSA-N 0 2 376.360 3.293 20 0 GGADLN CC(C)n1c[nH+]cc1CN1CCOc2c(Br)cc(C(=O)[O-])cc2C1 ZINC001592145526 977002891 /nfs/dbraw/zinc/00/28/91/977002891.db2.gz LLWGEZUTNBEPRT-UHFFFAOYSA-N 0 2 394.269 3.319 20 0 GGADLN C[C@H](C1CC1)N(Cc1ccccc1)C(=O)C[NH2+]C(C)(C)c1nocc1C(=O)[O-] ZINC001592180311 977090234 /nfs/dbraw/zinc/09/02/34/977090234.db2.gz BZDDOCGFGKOCOU-CQSZACIVSA-N 0 2 385.464 3.025 20 0 GGADLN C[C@@](CC(=O)[O-])([NH2+]Cc1nn(-c2ccccc2)c2c1CCC2)c1ccccn1 ZINC001592329450 977758918 /nfs/dbraw/zinc/75/89/18/977758918.db2.gz IHXZIVRGZCQLSX-QFIPXVFZSA-N 0 2 376.460 3.236 20 0 GGADLN C[C@@](CC(=O)[O-])([NH2+]Cc1nc(Cl)ccc1Br)c1ccncc1 ZINC001592329453 977759055 /nfs/dbraw/zinc/75/90/55/977759055.db2.gz IJMXBTUKWJNKJQ-HNNXBMFYSA-N 0 2 384.661 3.372 20 0 GGADLN C[C@](CC(=O)[O-])([NH2+]Cc1nn(-c2ccc(F)cc2)c2c1CCC2)c1ccccn1 ZINC001592329680 977761405 /nfs/dbraw/zinc/76/14/05/977761405.db2.gz KVQVOINFAQICKD-JOCHJYFZSA-N 0 2 394.450 3.375 20 0 GGADLN O=C([O-])c1ccccc1OCC[NH+]1CCN(Cc2nc3ccccc3s2)CC1 ZINC000768781734 978739597 /nfs/dbraw/zinc/73/95/97/978739597.db2.gz LIWSBCGFIZHWCO-UHFFFAOYSA-N 0 2 397.500 3.191 20 0 GGADLN C[C@H](c1cccc(F)c1)[NH+]1CCN(C(=O)CCc2ccc(C(=O)[O-])cc2)CC1 ZINC000827942189 978967502 /nfs/dbraw/zinc/96/75/02/978967502.db2.gz QRTKIOZVSDZRLJ-MRXNPFEDSA-N 0 2 384.451 3.362 20 0 GGADLN C[C@@H]1C[N@H+](Cn2nc(-c3cccnc3)n(-c3ccccc3)c2=S)C[C@H]1C(=O)[O-] ZINC000828462860 978984062 /nfs/dbraw/zinc/98/40/62/978984062.db2.gz NFJGHFQCZYEHKK-RHSMWYFYSA-N 0 2 395.488 3.075 20 0 GGADLN C[C@@H]1C[N@@H+](Cn2nc(-c3cccnc3)n(-c3ccccc3)c2=S)C[C@H]1C(=O)[O-] ZINC000828462860 978984064 /nfs/dbraw/zinc/98/40/64/978984064.db2.gz NFJGHFQCZYEHKK-RHSMWYFYSA-N 0 2 395.488 3.075 20 0 GGADLN C[C@H]1C[N@H+](Cn2nc(-c3cccnc3)n(-c3ccccc3)c2=S)C[C@@H]1C(=O)[O-] ZINC000828462865 978984161 /nfs/dbraw/zinc/98/41/61/978984161.db2.gz NFJGHFQCZYEHKK-YOEHRIQHSA-N 0 2 395.488 3.075 20 0 GGADLN C[C@H]1C[N@@H+](Cn2nc(-c3cccnc3)n(-c3ccccc3)c2=S)C[C@@H]1C(=O)[O-] ZINC000828462865 978984164 /nfs/dbraw/zinc/98/41/64/978984164.db2.gz NFJGHFQCZYEHKK-YOEHRIQHSA-N 0 2 395.488 3.075 20 0 GGADLN CCn1c(-c2ccc(Cl)cc2)nn(C[N@@H+]2C[C@H](C)[C@H](C(=O)[O-])C2)c1=S ZINC000830403577 979017257 /nfs/dbraw/zinc/01/72/57/979017257.db2.gz RQPPGSIUWWWZQW-SMDDNHRTSA-N 0 2 380.901 3.364 20 0 GGADLN CCn1c(-c2ccc(Cl)cc2)nn(C[N@H+]2C[C@H](C)[C@H](C(=O)[O-])C2)c1=S ZINC000830403577 979017259 /nfs/dbraw/zinc/01/72/59/979017259.db2.gz RQPPGSIUWWWZQW-SMDDNHRTSA-N 0 2 380.901 3.364 20 0 GGADLN CCn1c(-c2ccc(Cl)cc2)nn(C[N@H+]2C[C@H](C(=O)[O-])[C@H](C)C2)c1=S ZINC000830403576 979017327 /nfs/dbraw/zinc/01/73/27/979017327.db2.gz RQPPGSIUWWWZQW-RISCZKNCSA-N 0 2 380.901 3.364 20 0 GGADLN CCn1c(-c2ccc(Cl)cc2)nn(C[N@@H+]2C[C@H](C(=O)[O-])[C@H](C)C2)c1=S ZINC000830403576 979017329 /nfs/dbraw/zinc/01/73/29/979017329.db2.gz RQPPGSIUWWWZQW-RISCZKNCSA-N 0 2 380.901 3.364 20 0 GGADLN O=C([O-])c1cc(NC(=O)NCCCCn2cc[nH+]c2)c(Br)cc1F ZINC000833137265 979090988 /nfs/dbraw/zinc/09/09/88/979090988.db2.gz BHBKFBRPBHLLAT-UHFFFAOYSA-N 0 2 399.220 3.085 20 0 GGADLN O=C([O-])C[C@@H]1CCC[N@@H+]1Cn1[nH]c(-c2ccccc2Br)nc1=S ZINC000833212244 979120148 /nfs/dbraw/zinc/12/01/48/979120148.db2.gz XRUNXRWEMPYCTR-JTQLQIEISA-N 0 2 397.298 3.267 20 0 GGADLN O=C([O-])C[C@@H]1CCC[N@H+]1Cn1[nH]c(-c2ccccc2Br)nc1=S ZINC000833212244 979120151 /nfs/dbraw/zinc/12/01/51/979120151.db2.gz XRUNXRWEMPYCTR-JTQLQIEISA-N 0 2 397.298 3.267 20 0 GGADLN CCC(CC)(CC(=O)[O-])NC(=O)Nc1cccc([C@H](C)[NH+]2CCOCC2)c1 ZINC001595049824 979276242 /nfs/dbraw/zinc/27/62/42/979276242.db2.gz GXLRLYBFUFCKFN-HNNXBMFYSA-N 0 2 377.485 3.235 20 0 GGADLN C[NH+]1CCN(c2ccc(NC3CCC(C(=O)[O-])CC3)cc2Br)CC1 ZINC000840994700 979292297 /nfs/dbraw/zinc/29/22/97/979292297.db2.gz LKBIJBGWFSWBLH-UHFFFAOYSA-N 0 2 396.329 3.256 20 0 GGADLN O=C([O-])c1ccc(N2CCC(O)(c3cccc(OC(F)(F)F)c3)CC2)[nH+]c1 ZINC000843034784 979329440 /nfs/dbraw/zinc/32/94/40/979329440.db2.gz PXLCGWFNHQGFMI-UHFFFAOYSA-N 0 2 382.338 3.166 20 0 GGADLN COc1ccc(OC)c2c1C[N@H+](Cc1c(Cl)cccc1C(=O)[O-])C[C@@H]2O ZINC000846233779 979416176 /nfs/dbraw/zinc/41/61/76/979416176.db2.gz YCPQSIVXVAZMJI-HNNXBMFYSA-N 0 2 377.824 3.105 20 0 GGADLN COc1ccc(OC)c2c1C[N@@H+](Cc1c(Cl)cccc1C(=O)[O-])C[C@@H]2O ZINC000846233779 979416180 /nfs/dbraw/zinc/41/61/80/979416180.db2.gz YCPQSIVXVAZMJI-HNNXBMFYSA-N 0 2 377.824 3.105 20 0 GGADLN COc1cccc([C@@H]2C[N@H+](CCOc3ccc(/C=C\C(=O)[O-])cc3)CCO2)c1 ZINC000846244916 979422112 /nfs/dbraw/zinc/42/21/12/979422112.db2.gz VPIAMNSWWMXXNN-UKSYNSBOSA-N 0 2 383.444 3.245 20 0 GGADLN COc1cccc([C@@H]2C[N@@H+](CCOc3ccc(/C=C\C(=O)[O-])cc3)CCO2)c1 ZINC000846244916 979422118 /nfs/dbraw/zinc/42/21/18/979422118.db2.gz VPIAMNSWWMXXNN-UKSYNSBOSA-N 0 2 383.444 3.245 20 0 GGADLN O=C([O-])Cc1ccccc1C[N@@H+]1CCOc2ccc(Br)cc2C1 ZINC000846259198 979429490 /nfs/dbraw/zinc/42/94/90/979429490.db2.gz MRFYASISFGWSNK-UHFFFAOYSA-N 0 2 376.250 3.471 20 0 GGADLN O=C([O-])Cc1ccccc1C[N@H+]1CCOc2ccc(Br)cc2C1 ZINC000846259198 979429494 /nfs/dbraw/zinc/42/94/94/979429494.db2.gz MRFYASISFGWSNK-UHFFFAOYSA-N 0 2 376.250 3.471 20 0 GGADLN CC(C)c1ccc(C[NH+]2CCN(C(=O)c3cccc(OCC(=O)[O-])c3)CC2)cc1 ZINC000851690914 979564474 /nfs/dbraw/zinc/56/44/74/979564474.db2.gz MYZOARWFMKAMOH-UHFFFAOYSA-N 0 2 396.487 3.231 20 0 GGADLN C[C@@](Cc1ccc(Cl)cc1)([NH2+]Cc1nnc(-c2cccc(O)c2)o1)C(=O)[O-] ZINC001592839786 979600320 /nfs/dbraw/zinc/60/03/20/979600320.db2.gz PWSNCNWNKDZGAC-IBGZPJMESA-N 0 2 387.823 3.271 20 0 GGADLN CCS(=O)(=O)c1c(Cl)cccc1C[N@@H+]1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000859812270 979642781 /nfs/dbraw/zinc/64/27/81/979642781.db2.gz LUFAYNJHWVGVGF-CQSZACIVSA-N 0 2 387.929 3.456 20 0 GGADLN CCS(=O)(=O)c1c(Cl)cccc1C[N@H+]1CCC[C@@H](C(C)(C)C(=O)[O-])C1 ZINC000859812270 979642785 /nfs/dbraw/zinc/64/27/85/979642785.db2.gz LUFAYNJHWVGVGF-CQSZACIVSA-N 0 2 387.929 3.456 20 0 GGADLN COc1sc(C[NH2+][C@H](C(=O)[O-])c2ccc3c(c2)CCO3)cc1Br ZINC000859816661 979647961 /nfs/dbraw/zinc/64/79/61/979647961.db2.gz IGDKJPVGKBNZFE-AWEZNQCLSA-N 0 2 398.278 3.370 20 0 GGADLN O=C([O-])c1cnc(C2CC[NH+](Cc3cncc(Br)c3)CC2)s1 ZINC000863473442 979669768 /nfs/dbraw/zinc/66/97/68/979669768.db2.gz NKCOYYNVSSSWOB-UHFFFAOYSA-N 0 2 382.283 3.378 20 0 GGADLN C[C@@H](Cc1ccc(NC(=O)Cc2c[nH+]cn2Cc2ccccc2)cc1)C(=O)[O-] ZINC001592859429 979682619 /nfs/dbraw/zinc/68/26/19/979682619.db2.gz SNPRMCSCZKXPGM-INIZCTEOSA-N 0 2 377.444 3.376 20 0 GGADLN C[C@H](Cc1ccc(NC(=O)NCc2ccccc2-n2cc[nH+]c2)cc1)C(=O)[O-] ZINC001592871071 979722222 /nfs/dbraw/zinc/72/22/22/979722222.db2.gz ARMQTTQYICVNJJ-OAHLLOKOSA-N 0 2 378.432 3.457 20 0 GGADLN C[C@H](Cc1ccc(NC(=O)NCc2cc[nH+]c(N3CCCC3)c2)cc1)C(=O)[O-] ZINC001592874083 979738937 /nfs/dbraw/zinc/73/89/37/979738937.db2.gz XIAGBRUVWFNQHN-OAHLLOKOSA-N 0 2 382.464 3.267 20 0 GGADLN C[C@@H](Cn1cc[nH+]c1)Nc1cc(C(=O)[O-])nc2ccc(Br)cc21 ZINC001592930737 979972891 /nfs/dbraw/zinc/97/28/91/979972891.db2.gz NLXRVBRYWLTLHJ-JTQLQIEISA-N 0 2 375.226 3.393 20 0 GGADLN C[C@H](Cn1cc[nH+]c1)Nc1cc(C(=O)[O-])nc2ccc(Br)cc21 ZINC001592930900 979976383 /nfs/dbraw/zinc/97/63/83/979976383.db2.gz NLXRVBRYWLTLHJ-SNVBAGLBSA-N 0 2 375.226 3.393 20 0 GGADLN COc1ccccc1[C@@H]1C[N@H+](CCOc2ccc(/C=C\C(=O)[O-])cc2)CCO1 ZINC000872163714 980056837 /nfs/dbraw/zinc/05/68/37/980056837.db2.gz KXGBRNJQWDIKPU-OMCJBDSBSA-N 0 2 383.444 3.245 20 0 GGADLN COc1ccccc1[C@@H]1C[N@@H+](CCOc2ccc(/C=C\C(=O)[O-])cc2)CCO1 ZINC000872163714 980056848 /nfs/dbraw/zinc/05/68/48/980056848.db2.gz KXGBRNJQWDIKPU-OMCJBDSBSA-N 0 2 383.444 3.245 20 0 GGADLN Cc1ccc(S(=O)(=O)C2CC[NH+](Cc3cc(C(=O)[O-])cs3)CC2)cc1 ZINC000872165936 980060711 /nfs/dbraw/zinc/06/07/11/980060711.db2.gz OYUMDFBJLBARIM-UHFFFAOYSA-N 0 2 379.503 3.193 20 0 GGADLN C[C@H](NC(=O)[C@H](C)[N@H+](C)Cc1ccc(C(=O)[O-])cn1)c1ccc2c(c1)CCCC2 ZINC001592989260 980171656 /nfs/dbraw/zinc/17/16/56/980171656.db2.gz CSBHIMJGRIVALF-HOTGVXAUSA-N 0 2 395.503 3.356 20 0 GGADLN C[C@H](NC(=O)[C@H](C)[N@@H+](C)Cc1ccc(C(=O)[O-])cn1)c1ccc2c(c1)CCCC2 ZINC001592989260 980171658 /nfs/dbraw/zinc/17/16/58/980171658.db2.gz CSBHIMJGRIVALF-HOTGVXAUSA-N 0 2 395.503 3.356 20 0 GGADLN C[C@H](NC(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1)c1ccc(OCC(=O)[O-])cc1 ZINC001593014819 980257328 /nfs/dbraw/zinc/25/73/28/980257328.db2.gz UMSPHXCOEVJDAS-KXBFYZLASA-N 0 2 393.443 3.273 20 0 GGADLN CCN(CC)C(=O)C[N@H+](C)Cc1ccccc1OCc1ccc(C(=O)[O-])cc1 ZINC000901415314 980260514 /nfs/dbraw/zinc/26/05/14/980260514.db2.gz HELVOARWYNYACN-UHFFFAOYSA-N 0 2 384.476 3.264 20 0 GGADLN CCN(CC)C(=O)C[N@@H+](C)Cc1ccccc1OCc1ccc(C(=O)[O-])cc1 ZINC000901415314 980260518 /nfs/dbraw/zinc/26/05/18/980260518.db2.gz HELVOARWYNYACN-UHFFFAOYSA-N 0 2 384.476 3.264 20 0 GGADLN C[C@@H](NC(=O)C[NH2+][C@@H](C(=O)[O-])c1ccc(C(F)(F)F)cc1)c1ccc(F)cc1 ZINC001593027725 980293469 /nfs/dbraw/zinc/29/34/69/980293469.db2.gz HVAMPEBLCVYYMR-PIGZYNQJSA-N 0 2 398.356 3.437 20 0 GGADLN COc1cc(C[N@@H+]2CCO[C@H](CC(=O)[O-])C2)ccc1OCc1ccc(F)cc1 ZINC000901503322 980323203 /nfs/dbraw/zinc/32/32/03/980323203.db2.gz QTZYFYFCXSNDEP-GOSISDBHSA-N 0 2 389.423 3.089 20 0 GGADLN COc1cc(C[N@H+]2CCO[C@H](CC(=O)[O-])C2)ccc1OCc1ccc(F)cc1 ZINC000901503322 980323208 /nfs/dbraw/zinc/32/32/08/980323208.db2.gz QTZYFYFCXSNDEP-GOSISDBHSA-N 0 2 389.423 3.089 20 0 GGADLN O=C([O-])[C@@H]([NH2+]Cc1cnc(N2CCOCC2)s1)c1ccc2ccccc2c1 ZINC000901514413 980331309 /nfs/dbraw/zinc/33/13/09/980331309.db2.gz GQBRNOYNXQULSV-SFHVURJKSA-N 0 2 383.473 3.048 20 0 GGADLN COc1cc(C[N@@H+]2CC[C@@](F)(C(=O)[O-])C2)cc(OC)c1OCc1ccccc1 ZINC000901515572 980333057 /nfs/dbraw/zinc/33/30/57/980333057.db2.gz MTCREAMDWBQTQI-NRFANRHFSA-N 0 2 389.423 3.281 20 0 GGADLN COc1cc(C[N@H+]2CC[C@@](F)(C(=O)[O-])C2)cc(OC)c1OCc1ccccc1 ZINC000901515572 980333063 /nfs/dbraw/zinc/33/30/63/980333063.db2.gz MTCREAMDWBQTQI-NRFANRHFSA-N 0 2 389.423 3.281 20 0 GGADLN CC[C@@]([NH2+]CC(=O)N1CCC(c2ccccc2)=N1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595282072 980341242 /nfs/dbraw/zinc/34/12/42/980341242.db2.gz CVKUEUGFBDQWHQ-NRFANRHFSA-N 0 2 399.878 3.256 20 0 GGADLN COc1c(Cl)cc(Cl)cc1C[N@@H+]1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC000901523424 980343720 /nfs/dbraw/zinc/34/37/20/980343720.db2.gz FUFPQTKZVQZBBH-GFCCVEGCSA-N 0 2 385.251 3.129 20 0 GGADLN COc1c(Cl)cc(Cl)cc1C[N@H+]1CCC[C@@H](n2cc(C(=O)[O-])nn2)C1 ZINC000901523424 980343726 /nfs/dbraw/zinc/34/37/26/980343726.db2.gz FUFPQTKZVQZBBH-GFCCVEGCSA-N 0 2 385.251 3.129 20 0 GGADLN CC[C@]([NH2+]CC(=O)Nc1ccccc1OC)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595286582 980364233 /nfs/dbraw/zinc/36/42/33/980364233.db2.gz GUOCRJLZGAAKFU-LJQANCHMSA-N 0 2 376.840 3.267 20 0 GGADLN O=C([O-])c1c[nH]c2cc(NCc3ccc(OCC[NH+]4CCOCC4)cc3)ccc21 ZINC000901541288 980370024 /nfs/dbraw/zinc/37/00/24/980370024.db2.gz UIGNUNDYPIBTLP-UHFFFAOYSA-N 0 2 395.459 3.189 20 0 GGADLN CC[C@@]([NH2+]CC(=O)Nc1cccnc1Cl)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595288022 980373029 /nfs/dbraw/zinc/37/30/29/980373029.db2.gz ZIACSDHGWAKHDT-KRWDZBQOSA-N 0 2 382.247 3.307 20 0 GGADLN CO[C@]1(C(F)(F)F)CC[N@H+](Cc2ccc(C(=O)[O-])c(Br)c2)C1 ZINC000901553990 980379263 /nfs/dbraw/zinc/37/92/63/980379263.db2.gz TYPCHECPXAVSOB-CYBMUJFWSA-N 0 2 382.176 3.301 20 0 GGADLN CO[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccc(C(=O)[O-])c(Br)c2)C1 ZINC000901553990 980379268 /nfs/dbraw/zinc/37/92/68/980379268.db2.gz TYPCHECPXAVSOB-CYBMUJFWSA-N 0 2 382.176 3.301 20 0 GGADLN CO[C@@]1(C(F)(F)F)CC[N@H+](Cc2ccc(C(=O)[O-])c(Br)c2)C1 ZINC000901553991 980380074 /nfs/dbraw/zinc/38/00/74/980380074.db2.gz TYPCHECPXAVSOB-ZDUSSCGKSA-N 0 2 382.176 3.301 20 0 GGADLN CO[C@@]1(C(F)(F)F)CC[N@@H+](Cc2ccc(C(=O)[O-])c(Br)c2)C1 ZINC000901553991 980380076 /nfs/dbraw/zinc/38/00/76/980380076.db2.gz TYPCHECPXAVSOB-ZDUSSCGKSA-N 0 2 382.176 3.301 20 0 GGADLN CCOc1ccccc1C[N@@H+]1CCN(C(=O)/C=C\c2ccc(C(=O)[O-])o2)[C@@H](C)C1 ZINC000901622691 980410171 /nfs/dbraw/zinc/41/01/71/980410171.db2.gz ITMUAJCYTQRKPA-SLWQEBJJSA-N 0 2 398.459 3.123 20 0 GGADLN CCOc1ccccc1C[N@H+]1CCN(C(=O)/C=C\c2ccc(C(=O)[O-])o2)[C@@H](C)C1 ZINC000901622691 980410172 /nfs/dbraw/zinc/41/01/72/980410172.db2.gz ITMUAJCYTQRKPA-SLWQEBJJSA-N 0 2 398.459 3.123 20 0 GGADLN COc1cc(Br)c(C[NH2+]Cc2cc(C)c(C(=O)[O-])o2)cc1OC ZINC000901942203 980642018 /nfs/dbraw/zinc/64/20/18/980642018.db2.gz GJRCFKHMIXSTLD-UHFFFAOYSA-N 0 2 384.226 3.356 20 0 GGADLN COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])[N@H+](Cc1c(C3CCC3)cnn1C)CC2 ZINC000902000715 980675492 /nfs/dbraw/zinc/67/54/92/980675492.db2.gz DUYPQBFHUYUATD-GOSISDBHSA-N 0 2 399.491 3.279 20 0 GGADLN COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])[N@@H+](Cc1c(C3CCC3)cnn1C)CC2 ZINC000902000715 980675497 /nfs/dbraw/zinc/67/54/97/980675497.db2.gz DUYPQBFHUYUATD-GOSISDBHSA-N 0 2 399.491 3.279 20 0 GGADLN CCc1cnc(C[N@@H+]2CCc3cc(OC)c(OC)cc3[C@H]2CC(=O)[O-])s1 ZINC000902001485 980678663 /nfs/dbraw/zinc/67/86/63/980678663.db2.gz SIXVDQDGTBKAOY-OAHLLOKOSA-N 0 2 376.478 3.297 20 0 GGADLN CCc1cnc(C[N@H+]2CCc3cc(OC)c(OC)cc3[C@H]2CC(=O)[O-])s1 ZINC000902001485 980678667 /nfs/dbraw/zinc/67/86/67/980678667.db2.gz SIXVDQDGTBKAOY-OAHLLOKOSA-N 0 2 376.478 3.297 20 0 GGADLN O=C([O-])C[C@H]1COCC[N@@H+]1Cc1cn(-c2ccccc2)nc1-c1cccs1 ZINC000902002192 980680738 /nfs/dbraw/zinc/68/07/38/980680738.db2.gz MUGJDVAWHGKSLQ-KRWDZBQOSA-N 0 2 383.473 3.276 20 0 GGADLN O=C([O-])C[C@H]1COCC[N@H+]1Cc1cn(-c2ccccc2)nc1-c1cccs1 ZINC000902002192 980680740 /nfs/dbraw/zinc/68/07/40/980680740.db2.gz MUGJDVAWHGKSLQ-KRWDZBQOSA-N 0 2 383.473 3.276 20 0 GGADLN O=C([O-])C[C@@H]1COCC[N@@H+]1Cc1cnc(-c2ccc(Br)cc2)s1 ZINC000902002467 980680852 /nfs/dbraw/zinc/68/08/52/980680852.db2.gz QFCYRLCGJYAUFY-CYBMUJFWSA-N 0 2 397.294 3.248 20 0 GGADLN O=C([O-])C[C@@H]1COCC[N@H+]1Cc1cnc(-c2ccc(Br)cc2)s1 ZINC000902002467 980680854 /nfs/dbraw/zinc/68/08/54/980680854.db2.gz QFCYRLCGJYAUFY-CYBMUJFWSA-N 0 2 397.294 3.248 20 0 GGADLN CC[C@H](c1ccc(F)cc1F)N1CC[NH+](Cc2ccc(C(=O)[O-])n2C)CC1 ZINC001595359560 980742317 /nfs/dbraw/zinc/74/23/17/980742317.db2.gz DKZBLINRMMVRAC-GOSISDBHSA-N 0 2 377.435 3.270 20 0 GGADLN CC[C@H](c1ccc(F)cc1F)[NH+]1CCN(Cc2ccc(C(=O)[O-])n2C)CC1 ZINC001595359560 980742320 /nfs/dbraw/zinc/74/23/20/980742320.db2.gz DKZBLINRMMVRAC-GOSISDBHSA-N 0 2 377.435 3.270 20 0 GGADLN CC[C@@H](c1ccccc1)[N@H+](CC(=O)[O-])CC(=O)Nc1cc(OC)ccc1OC ZINC001595360274 980750723 /nfs/dbraw/zinc/75/07/23/980750723.db2.gz FOVUQVCHMJVOES-SFHVURJKSA-N 0 2 386.448 3.180 20 0 GGADLN CC[C@@H](c1ccccc1)[N@@H+](CC(=O)[O-])CC(=O)Nc1cc(OC)ccc1OC ZINC001595360274 980750725 /nfs/dbraw/zinc/75/07/25/980750725.db2.gz FOVUQVCHMJVOES-SFHVURJKSA-N 0 2 386.448 3.180 20 0 GGADLN CC[C@H](c1ccccc1)[N@H+](CC(=O)[O-])CC(=O)Nc1cc(OC)cc(OC)c1 ZINC001595361120 980759572 /nfs/dbraw/zinc/75/95/72/980759572.db2.gz SEKGRCVYWVJGAO-LJQANCHMSA-N 0 2 386.448 3.180 20 0 GGADLN CC[C@H](c1ccccc1)[N@@H+](CC(=O)[O-])CC(=O)Nc1cc(OC)cc(OC)c1 ZINC001595361120 980759575 /nfs/dbraw/zinc/75/95/75/980759575.db2.gz SEKGRCVYWVJGAO-LJQANCHMSA-N 0 2 386.448 3.180 20 0 GGADLN O=C([O-])COc1ccc(C[N@@H+]2CCO[C@H](c3cccc(OC(F)F)c3)C2)cc1 ZINC000902382367 980864618 /nfs/dbraw/zinc/86/46/18/980864618.db2.gz OQGBDSNASRFHNZ-SFHVURJKSA-N 0 2 393.386 3.325 20 0 GGADLN O=C([O-])COc1ccc(C[N@H+]2CCO[C@H](c3cccc(OC(F)F)c3)C2)cc1 ZINC000902382367 980864633 /nfs/dbraw/zinc/86/46/33/980864633.db2.gz OQGBDSNASRFHNZ-SFHVURJKSA-N 0 2 393.386 3.325 20 0 GGADLN O=C([O-])[C@@H]([NH2+]Cc1nccn1CC(F)(F)F)c1ccccc1OC(F)(F)F ZINC000902565563 980935148 /nfs/dbraw/zinc/93/51/48/980935148.db2.gz GAKGLSPQYXEXHO-LBPRGKRZSA-N 0 2 397.275 3.260 20 0 GGADLN O=C([O-])c1ccc(Br)c(C[N@@H+]2CCO[C@H](C(F)(F)F)CC2)c1 ZINC000903912975 981035215 /nfs/dbraw/zinc/03/52/15/981035215.db2.gz KRZOOXIWIQGXGX-LBPRGKRZSA-N 0 2 382.176 3.301 20 0 GGADLN O=C([O-])c1ccc(Br)c(C[N@H+]2CCO[C@H](C(F)(F)F)CC2)c1 ZINC000903912975 981035220 /nfs/dbraw/zinc/03/52/20/981035220.db2.gz KRZOOXIWIQGXGX-LBPRGKRZSA-N 0 2 382.176 3.301 20 0 GGADLN O=C([O-])c1ccc(Br)c(C[N@@H+]2CCO[C@@H](C(F)(F)F)CC2)c1 ZINC000903912974 981035338 /nfs/dbraw/zinc/03/53/38/981035338.db2.gz KRZOOXIWIQGXGX-GFCCVEGCSA-N 0 2 382.176 3.301 20 0 GGADLN O=C([O-])c1ccc(Br)c(C[N@H+]2CCO[C@@H](C(F)(F)F)CC2)c1 ZINC000903912974 981035340 /nfs/dbraw/zinc/03/53/40/981035340.db2.gz KRZOOXIWIQGXGX-GFCCVEGCSA-N 0 2 382.176 3.301 20 0 GGADLN O=C([O-])C1(CCCCNC(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)CCC1 ZINC000908332592 981300500 /nfs/dbraw/zinc/30/05/00/981300500.db2.gz BXWIIUORTUYXJD-SFHVURJKSA-N 0 2 390.549 3.318 20 0 GGADLN C[N@@H+]1CCC[C@@H]1c1cc(C(=O)N[C@H](CC(=O)[O-])c2ccc(C(C)(C)C)cc2)[nH]n1 ZINC000909007476 981402609 /nfs/dbraw/zinc/40/26/09/981402609.db2.gz XFXIMQNQZHIEIF-VQIMIIECSA-N 0 2 398.507 3.420 20 0 GGADLN C[N@H+]1CCC[C@@H]1c1cc(C(=O)N[C@H](CC(=O)[O-])c2ccc(C(C)(C)C)cc2)[nH]n1 ZINC000909007476 981402612 /nfs/dbraw/zinc/40/26/12/981402612.db2.gz XFXIMQNQZHIEIF-VQIMIIECSA-N 0 2 398.507 3.420 20 0 GGADLN CC[N@@H+]1CCc2nc3ccccc3c(C(=O)NCCCCCCC(=O)[O-])c2C1 ZINC000909143780 981426862 /nfs/dbraw/zinc/42/68/62/981426862.db2.gz ZPTZUSFOBKZMSF-UHFFFAOYSA-N 0 2 383.492 3.378 20 0 GGADLN CC[N@H+]1CCc2nc3ccccc3c(C(=O)NCCCCCCC(=O)[O-])c2C1 ZINC000909143780 981426867 /nfs/dbraw/zinc/42/68/67/981426867.db2.gz ZPTZUSFOBKZMSF-UHFFFAOYSA-N 0 2 383.492 3.378 20 0 GGADLN CC[C@@H](C(=O)NCc1c2ccccc2sc1C(=O)[O-])[N@@H+]1CCO[C@H](CC)C1 ZINC000909214254 981433731 /nfs/dbraw/zinc/43/37/31/981433731.db2.gz MFUIEGLLTQPWSK-CJNGLKHVSA-N 0 2 390.505 3.105 20 0 GGADLN CC[C@@H](C(=O)NCc1c2ccccc2sc1C(=O)[O-])[N@H+]1CCO[C@H](CC)C1 ZINC000909214254 981433735 /nfs/dbraw/zinc/43/37/35/981433735.db2.gz MFUIEGLLTQPWSK-CJNGLKHVSA-N 0 2 390.505 3.105 20 0 GGADLN Cc1cccc(C[C@@H](CNC(=O)C[C@@H](c2[nH]cc[nH+]2)c2ccccc2)C(=O)[O-])c1 ZINC000909240210 981442692 /nfs/dbraw/zinc/44/26/92/981442692.db2.gz ZAWBOKDIXHXNQJ-VQTJNVASSA-N 0 2 391.471 3.300 20 0 GGADLN Cc1cn(C(C)(C)C(=O)NC[C@@H](Cc2cccc3ccccc32)C(=O)[O-])c[nH+]1 ZINC000909269340 981455789 /nfs/dbraw/zinc/45/57/89/981455789.db2.gz YYMFECLAIDFRNC-GOSISDBHSA-N 0 2 379.460 3.140 20 0 GGADLN CCC[C@H](C)[N@@H+]1Cc2cccc(NS(=O)(=O)c3cncc(C(=O)[O-])c3)c2C1 ZINC001595580214 981514549 /nfs/dbraw/zinc/51/45/49/981514549.db2.gz BKXTUTPWZALHHP-ZDUSSCGKSA-N 0 2 389.477 3.085 20 0 GGADLN CCC[C@H](C)[N@H+]1Cc2cccc(NS(=O)(=O)c3cncc(C(=O)[O-])c3)c2C1 ZINC001595580214 981514551 /nfs/dbraw/zinc/51/45/51/981514551.db2.gz BKXTUTPWZALHHP-ZDUSSCGKSA-N 0 2 389.477 3.085 20 0 GGADLN CCC[C@@H](C)[N@@H+]1Cc2cccc(NS(=O)(=O)c3cncc(C(=O)[O-])c3)c2C1 ZINC001595580213 981514569 /nfs/dbraw/zinc/51/45/69/981514569.db2.gz BKXTUTPWZALHHP-CYBMUJFWSA-N 0 2 389.477 3.085 20 0 GGADLN CCC[C@@H](C)[N@H+]1Cc2cccc(NS(=O)(=O)c3cncc(C(=O)[O-])c3)c2C1 ZINC001595580213 981514572 /nfs/dbraw/zinc/51/45/72/981514572.db2.gz BKXTUTPWZALHHP-CYBMUJFWSA-N 0 2 389.477 3.085 20 0 GGADLN CCC[C@@H](C)[N@@H+]1Cc2cccc(NS(=O)(=O)c3cc(C(=O)[O-])n(C)c3)c2C1 ZINC001595580297 981516202 /nfs/dbraw/zinc/51/62/02/981516202.db2.gz DGNCRVDZPWVNPO-CYBMUJFWSA-N 0 2 391.493 3.028 20 0 GGADLN CCC[C@@H](C)[N@H+]1Cc2cccc(NS(=O)(=O)c3cc(C(=O)[O-])n(C)c3)c2C1 ZINC001595580297 981516206 /nfs/dbraw/zinc/51/62/06/981516206.db2.gz DGNCRVDZPWVNPO-CYBMUJFWSA-N 0 2 391.493 3.028 20 0 GGADLN COc1cc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)ccc1C(=O)[O-] ZINC000909731064 981584198 /nfs/dbraw/zinc/58/41/98/981584198.db2.gz YVHMVENNIUZHCP-GOSISDBHSA-N 0 2 386.473 3.122 20 0 GGADLN CC[N@H+](CC(=O)N1CC[C@@](C(=O)[O-])(C(F)(F)F)C1)Cc1ccccc1Cl ZINC000909767697 981610401 /nfs/dbraw/zinc/61/04/01/981610401.db2.gz MXSPPDDXVHNIGH-MRXNPFEDSA-N 0 2 392.805 3.028 20 0 GGADLN CC[N@@H+](CC(=O)N1CC[C@@](C(=O)[O-])(C(F)(F)F)C1)Cc1ccccc1Cl ZINC000909767697 981610405 /nfs/dbraw/zinc/61/04/05/981610405.db2.gz MXSPPDDXVHNIGH-MRXNPFEDSA-N 0 2 392.805 3.028 20 0 GGADLN CC[C@@H](C(=O)[O-])C(=O)N1CC[NH+](Cc2ccc(-c3ccccc3F)s2)CC1 ZINC001594745032 981628982 /nfs/dbraw/zinc/62/89/82/981628982.db2.gz IOSKBMBJTCHEIR-OAHLLOKOSA-N 0 2 390.480 3.309 20 0 GGADLN C[C@@H](C(=O)[O-])c1ccc(NC(=O)[C@H](C)[NH+]2CCN(c3ccc(F)cc3)CC2)cc1 ZINC000909840274 981661171 /nfs/dbraw/zinc/66/11/71/981661171.db2.gz LJIJEFPMCYYAJW-CVEARBPZSA-N 0 2 399.466 3.163 20 0 GGADLN C[C@H](NC(=O)[C@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)c1ncc(C(=O)[O-])s1 ZINC000910159810 981768582 /nfs/dbraw/zinc/76/85/82/981768582.db2.gz KRPCEDHVJRPAPF-SWLSCSKDSA-N 0 2 391.468 3.212 20 0 GGADLN C[C@H](NC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(F)cc1)c1ncc(C(=O)[O-])s1 ZINC000910159810 981768586 /nfs/dbraw/zinc/76/85/86/981768586.db2.gz KRPCEDHVJRPAPF-SWLSCSKDSA-N 0 2 391.468 3.212 20 0 GGADLN C[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccc(F)cc1)c1ncc(C(=O)[O-])s1 ZINC000910159811 981768699 /nfs/dbraw/zinc/76/86/99/981768699.db2.gz KRPCEDHVJRPAPF-WFASDCNBSA-N 0 2 391.468 3.212 20 0 GGADLN C[C@H](NC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(F)cc1)c1ncc(C(=O)[O-])s1 ZINC000910159811 981768701 /nfs/dbraw/zinc/76/87/01/981768701.db2.gz KRPCEDHVJRPAPF-WFASDCNBSA-N 0 2 391.468 3.212 20 0 GGADLN O=C([O-])[C@H](CNC(=O)c1ccc(NCCn2cc[nH+]c2)cc1)C1CCCCC1 ZINC000910230765 981794786 /nfs/dbraw/zinc/79/47/86/981794786.db2.gz LWJYKGCUTSQLMY-LJQANCHMSA-N 0 2 384.480 3.006 20 0 GGADLN Cc1[nH+]c(NC[C@@H](c2cccc(Cl)c2)N2CCOCC2)ccc1C(=O)[O-] ZINC000910288286 981842337 /nfs/dbraw/zinc/84/23/37/981842337.db2.gz NZSPLDGBOFEYKV-KRWDZBQOSA-N 0 2 375.856 3.227 20 0 GGADLN COc1cccc([C@@H](C)[NH+]2CCN(C(=O)c3ccc(C)c(C(=O)[O-])c3)CC2)c1 ZINC000910683296 982061202 /nfs/dbraw/zinc/06/12/02/982061202.db2.gz FVYFDQQRPXUNDL-MRXNPFEDSA-N 0 2 382.460 3.221 20 0 GGADLN C[C@H]1CCN(C(=O)c2cc(Br)cc(C(=O)[O-])c2)C[C@H]1n1cc[nH+]c1 ZINC000910685607 982061781 /nfs/dbraw/zinc/06/17/81/982061781.db2.gz CHOGQSRJFKWCDX-XHDPSFHLSA-N 0 2 392.253 3.067 20 0 GGADLN COc1cccc([C@@H](C)[NH+]2CCN(C(=O)c3ccccc3CCC(=O)[O-])CC2)c1 ZINC000910685358 982061808 /nfs/dbraw/zinc/06/18/08/982061808.db2.gz WKEMQGKKVUMJLO-QGZVFWFLSA-N 0 2 396.487 3.231 20 0 GGADLN COc1cccc([C@H](C)[NH+]2CCN(C(=O)c3ccccc3CCC(=O)[O-])CC2)c1 ZINC000910685357 982062039 /nfs/dbraw/zinc/06/20/39/982062039.db2.gz WKEMQGKKVUMJLO-KRWDZBQOSA-N 0 2 396.487 3.231 20 0 GGADLN C[C@@H]1CCN(C(=O)c2cc(Br)cc(C(=O)[O-])c2)C[C@@H]1n1cc[nH+]c1 ZINC000910685601 982062297 /nfs/dbraw/zinc/06/22/97/982062297.db2.gz CHOGQSRJFKWCDX-ABAIWWIYSA-N 0 2 392.253 3.067 20 0 GGADLN Cc1sc([C@@H]2CCCN2C(=O)Cc2cn3cccc(C)c3[nH+]2)nc1C(=O)[O-] ZINC000910721794 982083829 /nfs/dbraw/zinc/08/38/29/982083829.db2.gz MQFOPPBQMGBSHI-AWEZNQCLSA-N 0 2 384.461 3.012 20 0 GGADLN O=C([O-])/C=C/c1ccc(C(=O)N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)o1 ZINC000911137597 982256378 /nfs/dbraw/zinc/25/63/78/982256378.db2.gz ZZPZBTICJQBIDR-VQHVLOKHSA-N 0 2 388.851 3.379 20 0 GGADLN O=C([O-])/C=C/c1ccc(C(=O)N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)o1 ZINC000911137597 982256381 /nfs/dbraw/zinc/25/63/81/982256381.db2.gz ZZPZBTICJQBIDR-VQHVLOKHSA-N 0 2 388.851 3.379 20 0 GGADLN O=C([O-])c1coc(C(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)c1 ZINC000911189790 982276243 /nfs/dbraw/zinc/27/62/43/982276243.db2.gz AHRBDQWTYAETFI-CQSZACIVSA-N 0 2 380.803 3.337 20 0 GGADLN C[C@@H]1C[NH+](Cc2ccccc2NC(=O)Cc2cccc(C(=O)[O-])c2)C[C@@H](C)O1 ZINC000911207167 982284815 /nfs/dbraw/zinc/28/48/15/982284815.db2.gz NICLVGGRUPLZCM-HZPDHXFCSA-N 0 2 382.460 3.175 20 0 GGADLN O=C([O-])CCc1ccccc1C(=O)N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000911234344 982305161 /nfs/dbraw/zinc/30/51/61/982305161.db2.gz HMNXUYYKNYVUBO-RMKNXTFCSA-N 0 2 378.472 3.175 20 0 GGADLN O=C([O-])c1ccccc1CCC(=O)N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000911234162 982305256 /nfs/dbraw/zinc/30/52/56/982305256.db2.gz FMZBEHWXKLFYQU-TWGQIWQCSA-N 0 2 378.472 3.175 20 0 GGADLN O=C([O-])[C@@H]1CC[C@@H]1C(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000911320223 982344334 /nfs/dbraw/zinc/34/43/34/982344334.db2.gz QFGNTLBFHXKGPL-LEWJYISDSA-N 0 2 389.455 3.325 20 0 GGADLN O=C([O-])CCc1ccccc1C(=O)NCc1cc[nH+]c(N2CCCCCC2)c1 ZINC000911351458 982373916 /nfs/dbraw/zinc/37/39/16/982373916.db2.gz XHMPSHLCGPMNKR-UHFFFAOYSA-N 0 2 381.476 3.409 20 0 GGADLN CCCCN(c1cc[nH+]cc1)S(=O)(=O)c1cccc2c1ccnc2C(=O)[O-] ZINC001595748043 982417444 /nfs/dbraw/zinc/41/74/44/982417444.db2.gz QGWQCAPDMXIGBA-UHFFFAOYSA-N 0 2 385.445 3.323 20 0 GGADLN CCOc1ccccc1C[N@@H+]1CCN(C(=O)Cc2cccc(C(=O)[O-])c2)[C@H](C)C1 ZINC000911571690 982510373 /nfs/dbraw/zinc/51/03/73/982510373.db2.gz CGXBXTYIIDJKLM-QGZVFWFLSA-N 0 2 396.487 3.059 20 0 GGADLN CCOc1ccccc1C[N@H+]1CCN(C(=O)Cc2cccc(C(=O)[O-])c2)[C@H](C)C1 ZINC000911571690 982510380 /nfs/dbraw/zinc/51/03/80/982510380.db2.gz CGXBXTYIIDJKLM-QGZVFWFLSA-N 0 2 396.487 3.059 20 0 GGADLN CC[C@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1Cc1cc(C(=O)[O-])n(C)c1 ZINC001594931820 982570628 /nfs/dbraw/zinc/57/06/28/982570628.db2.gz XJKJPCBXHMMULT-HRAATJIYSA-N 0 2 384.524 3.159 20 0 GGADLN CC[C@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1Cc1cc(C(=O)[O-])n(C)c1 ZINC001594931820 982570639 /nfs/dbraw/zinc/57/06/39/982570639.db2.gz XJKJPCBXHMMULT-HRAATJIYSA-N 0 2 384.524 3.159 20 0 GGADLN CC[C@@H](C)[C@@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cc(C(=O)[O-])co1 ZINC001594931917 982572511 /nfs/dbraw/zinc/57/25/11/982572511.db2.gz ZIFAUBVJPQTYIC-KDOFPFPSSA-N 0 2 385.464 3.054 20 0 GGADLN CC[C@@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1cc(C(=O)[O-])co1 ZINC001594931917 982572519 /nfs/dbraw/zinc/57/25/19/982572519.db2.gz ZIFAUBVJPQTYIC-KDOFPFPSSA-N 0 2 385.464 3.054 20 0 GGADLN O=C([O-])c1ccoc1CSc1ccccc1C(=O)N[C@@H]1CCn2c[nH+]cc2C1 ZINC000911693296 982603065 /nfs/dbraw/zinc/60/30/65/982603065.db2.gz VDSFJQWCSTYWOZ-CYBMUJFWSA-N 0 2 397.456 3.211 20 0 GGADLN CCCCn1c(SCC2(C(=O)[O-])CCOCC2)nnc1[C@H](CC)[NH+](C)C ZINC001595802273 982618346 /nfs/dbraw/zinc/61/83/46/982618346.db2.gz GHCXBVBTXVGBGM-AWEZNQCLSA-N 0 2 384.546 3.064 20 0 GGADLN O=C([O-])c1ccoc1CSc1ccccc1C(=O)N[C@H]1CCc2c[nH+]cn2C1 ZINC000911777282 982643597 /nfs/dbraw/zinc/64/35/97/982643597.db2.gz RVQJXTOQCRCWME-ZDUSSCGKSA-N 0 2 397.456 3.211 20 0 GGADLN CCCN(C(=O)c1cccs1)C1CC[NH+](Cc2ncc(C(=O)[O-])s2)CC1 ZINC001595830307 982717637 /nfs/dbraw/zinc/71/76/37/982717637.db2.gz NNOHSFQWJOXKLL-UHFFFAOYSA-N 0 2 393.534 3.420 20 0 GGADLN CCC[N@H+](CC(=O)[O-])CC(=O)N1N=C(c2cccs2)C[C@@H]1c1cccs1 ZINC001595854353 982782826 /nfs/dbraw/zinc/78/28/26/982782826.db2.gz KODSNGMZCWGPFJ-CQSZACIVSA-N 0 2 391.518 3.284 20 0 GGADLN CCC[N@@H+](CC(=O)[O-])CC(=O)N1N=C(c2cccs2)C[C@@H]1c1cccs1 ZINC001595854353 982782835 /nfs/dbraw/zinc/78/28/35/982782835.db2.gz KODSNGMZCWGPFJ-CQSZACIVSA-N 0 2 391.518 3.284 20 0 GGADLN CCCc1c(C(=O)NCCn2c[nH+]cc2-c2ccccc2)[nH]c(C)c1C(=O)[O-] ZINC001596038031 983325452 /nfs/dbraw/zinc/32/54/52/983325452.db2.gz VNJBVDFNOFHRLM-UHFFFAOYSA-N 0 2 380.448 3.267 20 0 GGADLN CCCc1c(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)[nH]c(C)c1C(=O)[O-] ZINC001596042056 983328354 /nfs/dbraw/zinc/32/83/54/983328354.db2.gz MIFFSXOEFHHAQX-UHFFFAOYSA-N 0 2 384.411 3.229 20 0 GGADLN CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1ccc(CC(=O)[O-])c(F)c1 ZINC001596117874 983450232 /nfs/dbraw/zinc/45/02/32/983450232.db2.gz DGLRYKUGTXIDHL-UHFFFAOYSA-N 0 2 376.432 3.156 20 0 GGADLN CCCn1c[nH+]cc1CN(C)[C@@H](C(=O)[O-])c1cc(OC)ccc1Br ZINC001596118242 983451663 /nfs/dbraw/zinc/45/16/63/983451663.db2.gz OBSGPTORKYSPIN-MRXNPFEDSA-N 0 2 396.285 3.322 20 0 GGADLN CCN(C(=O)C[NH2+][C@](C)(C(=O)[O-])c1ccccc1)c1nc2ccccc2s1 ZINC001596142493 983493998 /nfs/dbraw/zinc/49/39/98/983493998.db2.gz ALXAUQMSFLYEIZ-FQEVSTJZSA-N 0 2 383.473 3.239 20 0 GGADLN CCN(C(=O)C[NH2+][C@H](C(=O)[O-])c1cccc(OC)c1)[C@H](C)c1ccc(F)cc1 ZINC001596144228 983499586 /nfs/dbraw/zinc/49/95/86/983499586.db2.gz WOBWJGVDCCOWSN-VLIAUNLRSA-N 0 2 388.439 3.159 20 0 GGADLN CC[N@H+](CC(=O)Nc1ccc2c(c1)OCCO2)[C@@H](C)c1cc(C)c(C(=O)[O-])o1 ZINC001596209816 983601838 /nfs/dbraw/zinc/60/18/38/983601838.db2.gz VFLPSWOEONQXDB-ZDUSSCGKSA-N 0 2 388.420 3.079 20 0 GGADLN CC[N@@H+](CC(=O)Nc1ccc2c(c1)OCCO2)[C@@H](C)c1cc(C)c(C(=O)[O-])o1 ZINC001596209816 983601840 /nfs/dbraw/zinc/60/18/40/983601840.db2.gz VFLPSWOEONQXDB-ZDUSSCGKSA-N 0 2 388.420 3.079 20 0 GGADLN CC[NH+](CC)Cc1nc(C2(NCc3cc(C)c(C(=O)[O-])o3)CCCC2)no1 ZINC001596277837 983699149 /nfs/dbraw/zinc/69/91/49/983699149.db2.gz NIBNJHWDNZSLDF-UHFFFAOYSA-N 0 2 376.457 3.070 20 0 GGADLN CC[N@H+](Cc1c(C)nn(CCC(=O)[O-])c1C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001596351061 983805655 /nfs/dbraw/zinc/80/56/55/983805655.db2.gz VBOFIZRFURAZHB-HXUWFJFHSA-N 0 2 384.524 3.071 20 0 GGADLN CC[N@@H+](Cc1c(C)nn(CCC(=O)[O-])c1C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC001596351061 983805659 /nfs/dbraw/zinc/80/56/59/983805659.db2.gz VBOFIZRFURAZHB-HXUWFJFHSA-N 0 2 384.524 3.071 20 0 GGADLN CC[N@H+](Cc1c(C)nn(CCC(=O)[O-])c1C)[C@H]1CCN(Cc2ccccc2)C1 ZINC001596351059 983806284 /nfs/dbraw/zinc/80/62/84/983806284.db2.gz VBOFIZRFURAZHB-FQEVSTJZSA-N 0 2 384.524 3.071 20 0 GGADLN CC[N@@H+](Cc1c(C)nn(CCC(=O)[O-])c1C)[C@H]1CCN(Cc2ccccc2)C1 ZINC001596351059 983806288 /nfs/dbraw/zinc/80/62/88/983806288.db2.gz VBOFIZRFURAZHB-FQEVSTJZSA-N 0 2 384.524 3.071 20 0 GGADLN CC[N@@H+]1CC[C@H](NC(=O)c2ccc(C(=O)[O-])n2C)[C@H]1c1ccc(Cl)c(F)c1 ZINC001596410828 984003893 /nfs/dbraw/zinc/00/38/93/984003893.db2.gz VBTXKOMBKZWVGT-WMLDXEAASA-N 0 2 393.846 3.081 20 0 GGADLN CC[N@H+]1CC[C@H](NC(=O)c2ccc(C(=O)[O-])n2C)[C@H]1c1ccc(Cl)c(F)c1 ZINC001596410828 984003900 /nfs/dbraw/zinc/00/39/00/984003900.db2.gz VBTXKOMBKZWVGT-WMLDXEAASA-N 0 2 393.846 3.081 20 0 GGADLN CCOC(=O)N1CCC[N@@H+]([C@@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)CC1 ZINC001596651968 984686353 /nfs/dbraw/zinc/68/63/53/984686353.db2.gz TYPJZNYXNLELGX-CQSZACIVSA-N 0 2 375.252 3.283 20 0 GGADLN CCOC(=O)N1CCC[N@H+]([C@@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)CC1 ZINC001596651968 984686354 /nfs/dbraw/zinc/68/63/54/984686354.db2.gz TYPJZNYXNLELGX-CQSZACIVSA-N 0 2 375.252 3.283 20 0 GGADLN C[C@H](NC(=O)[C@H](C)[NH2+]Cc1sc(Sc2ccccc2)nc1Cl)C(=O)[O-] ZINC001599900466 984813869 /nfs/dbraw/zinc/81/38/69/984813869.db2.gz SFFGHPVVISTWLA-UWVGGRQHSA-N 0 2 399.925 3.015 20 0 GGADLN CCOC(=O)c1ncc(C[N@@H+]2CCCC[C@H]2c2ccc(C(=O)[O-])n2C)s1 ZINC001596752090 985109252 /nfs/dbraw/zinc/10/92/52/985109252.db2.gz ZZINUMKBENQZGN-AWEZNQCLSA-N 0 2 377.466 3.084 20 0 GGADLN CCOC(=O)c1ncc(C[N@H+]2CCCC[C@H]2c2ccc(C(=O)[O-])n2C)s1 ZINC001596752090 985109256 /nfs/dbraw/zinc/10/92/56/985109256.db2.gz ZZINUMKBENQZGN-AWEZNQCLSA-N 0 2 377.466 3.084 20 0 GGADLN CCOC(=O)c1oc2ccccc2c1C[N@@H+]1CCCC[C@@]1(COC)C(=O)[O-] ZINC001596755250 985125094 /nfs/dbraw/zinc/12/50/94/985125094.db2.gz QCQFBGIVSAXGQL-HXUWFJFHSA-N 0 2 375.421 3.065 20 0 GGADLN CCOC(=O)c1oc2ccccc2c1C[N@H+]1CCCC[C@@]1(COC)C(=O)[O-] ZINC001596755250 985125098 /nfs/dbraw/zinc/12/50/98/985125098.db2.gz QCQFBGIVSAXGQL-HXUWFJFHSA-N 0 2 375.421 3.065 20 0 GGADLN CC(=O)N(c1nc(C[NH2+][C@](C)(CC(=O)[O-])c2cccc(F)c2)cs1)C1CC1 ZINC001589054705 985153739 /nfs/dbraw/zinc/15/37/39/985153739.db2.gz STYFTXUAOFDBTA-LJQANCHMSA-N 0 2 391.468 3.277 20 0 GGADLN C[C@H]1C[N@H+](Cc2cnc(-c3ccc(Br)cc3)s2)C[C@@H](C(=O)[O-])O1 ZINC001599930308 985303224 /nfs/dbraw/zinc/30/32/24/985303224.db2.gz OTZCAPZSOWEHKN-HZMBPMFUSA-N 0 2 397.294 3.247 20 0 GGADLN C[C@H]1C[N@@H+](Cc2cnc(-c3ccc(Br)cc3)s2)C[C@@H](C(=O)[O-])O1 ZINC001599930308 985303237 /nfs/dbraw/zinc/30/32/37/985303237.db2.gz OTZCAPZSOWEHKN-HZMBPMFUSA-N 0 2 397.294 3.247 20 0 GGADLN Cc1[nH]c(C(=O)C[N@@H+](Cc2cccs2)C[C@H]2CCCO2)c(C)c1C(=O)[O-] ZINC001599944439 985500013 /nfs/dbraw/zinc/50/00/13/985500013.db2.gz MGGMXRNFROJJMA-CQSZACIVSA-N 0 2 376.478 3.255 20 0 GGADLN Cc1[nH]c(C(=O)C[N@H+](Cc2cccs2)C[C@H]2CCCO2)c(C)c1C(=O)[O-] ZINC001599944439 985500023 /nfs/dbraw/zinc/50/00/23/985500023.db2.gz MGGMXRNFROJJMA-CQSZACIVSA-N 0 2 376.478 3.255 20 0 GGADLN Cc1[nH]c(C(=O)C[N@H+](CCc2ccccn2)Cc2cccnc2)c(C)c1C(=O)[O-] ZINC001599945316 985516501 /nfs/dbraw/zinc/51/65/01/985516501.db2.gz TVKYJYAFOMXQJK-UHFFFAOYSA-N 0 2 392.459 3.047 20 0 GGADLN Cc1[nH]c(C(=O)C[N@@H+](CCc2ccccn2)Cc2cccnc2)c(C)c1C(=O)[O-] ZINC001599945316 985516505 /nfs/dbraw/zinc/51/65/05/985516505.db2.gz TVKYJYAFOMXQJK-UHFFFAOYSA-N 0 2 392.459 3.047 20 0 GGADLN Cc1[nH]c(C(=O)C[N@@H+]2CCCC[C@@H]2CCC(=O)OC(C)(C)C)c(C)c1C(=O)[O-] ZINC001599945394 985517834 /nfs/dbraw/zinc/51/78/34/985517834.db2.gz MZUGUPYBEZCVCF-OAHLLOKOSA-N 0 2 392.496 3.489 20 0 GGADLN Cc1[nH]c(C(=O)C[N@H+]2CCCC[C@@H]2CCC(=O)OC(C)(C)C)c(C)c1C(=O)[O-] ZINC001599945394 985517843 /nfs/dbraw/zinc/51/78/43/985517843.db2.gz MZUGUPYBEZCVCF-OAHLLOKOSA-N 0 2 392.496 3.489 20 0 GGADLN CC(C)[C@@H](C(=O)Nc1cc(F)c(Cl)c(C(=O)[O-])c1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001594500340 985676085 /nfs/dbraw/zinc/67/60/85/985676085.db2.gz IBCQEGVYUZCMFF-UVWXRNBGSA-N 0 2 386.851 3.250 20 0 GGADLN Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC001599955796 985686382 /nfs/dbraw/zinc/68/63/82/985686382.db2.gz PPQHUPWZHAENOC-YOEHRIQHSA-N 0 2 393.846 3.297 20 0 GGADLN Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC001599955796 985686387 /nfs/dbraw/zinc/68/63/87/985686387.db2.gz PPQHUPWZHAENOC-YOEHRIQHSA-N 0 2 393.846 3.297 20 0 GGADLN Cc1[nH]c(C(=O)[O-])cc1C(=O)C[N@@H+](C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC001599957200 985708722 /nfs/dbraw/zinc/70/87/22/985708722.db2.gz IIOZNOQTJXLINU-NVXWUHKLSA-N 0 2 397.258 3.101 20 0 GGADLN Cc1[nH]c(C(=O)[O-])cc1C(=O)C[N@H+](C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC001599957200 985708731 /nfs/dbraw/zinc/70/87/31/985708731.db2.gz IIOZNOQTJXLINU-NVXWUHKLSA-N 0 2 397.258 3.101 20 0 GGADLN Cc1[nH]c(C(=O)[O-])cc1C(=O)C[N@H+](Cc1ccccc1)[C@H](CO)c1ccccc1 ZINC001599958419 985730160 /nfs/dbraw/zinc/73/01/60/985730160.db2.gz BMQRJVCMHJSHHQ-OAQYLSRUSA-N 0 2 392.455 3.440 20 0 GGADLN Cc1[nH]c(C(=O)[O-])cc1C(=O)C[N@@H+](Cc1ccccc1)[C@H](CO)c1ccccc1 ZINC001599958419 985730167 /nfs/dbraw/zinc/73/01/67/985730167.db2.gz BMQRJVCMHJSHHQ-OAQYLSRUSA-N 0 2 392.455 3.440 20 0 GGADLN Cc1[nH]c(C(=O)[O-])cc1C(=O)C[N@H+](Cc1ccccc1)[C@@H](CO)c1ccccc1 ZINC001599958417 985730425 /nfs/dbraw/zinc/73/04/25/985730425.db2.gz BMQRJVCMHJSHHQ-NRFANRHFSA-N 0 2 392.455 3.440 20 0 GGADLN Cc1[nH]c(C(=O)[O-])cc1C(=O)C[N@@H+](Cc1ccccc1)[C@@H](CO)c1ccccc1 ZINC001599958417 985730432 /nfs/dbraw/zinc/73/04/32/985730432.db2.gz BMQRJVCMHJSHHQ-NRFANRHFSA-N 0 2 392.455 3.440 20 0 GGADLN Cc1[nH]c(C(=O)[O-])cc1C(=O)C[NH2+]C(C)(C)c1ccccc1Br ZINC001599958572 985733655 /nfs/dbraw/zinc/73/36/55/985733655.db2.gz FDVSQTNUEXMQPY-UHFFFAOYSA-N 0 2 379.254 3.491 20 0 GGADLN CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[N@H+](C)Cc2ccc(OCC(=O)[O-])cc2)c1C ZINC001589249211 985868170 /nfs/dbraw/zinc/86/81/70/985868170.db2.gz MMABGMURNMHZRE-CQSZACIVSA-N 0 2 386.448 3.001 20 0 GGADLN CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)[N@@H+](C)Cc2ccc(OCC(=O)[O-])cc2)c1C ZINC001589249211 985868190 /nfs/dbraw/zinc/86/81/90/985868190.db2.gz MMABGMURNMHZRE-CQSZACIVSA-N 0 2 386.448 3.001 20 0 GGADLN CC(=O)c1ccc(NC(=O)C[NH2+][C@@]2(C(=O)[O-])CC[C@@H](C)c3ccccc32)cc1 ZINC001589301311 986058179 /nfs/dbraw/zinc/05/81/79/986058179.db2.gz UCNHRBLBYYXVAW-PEBXRYMYSA-N 0 2 380.444 3.295 20 0 GGADLN C[C@@H]1C[N@H+](Cc2cn(-c3ccc(Cl)c(Cl)c3)nc2C(=O)[O-])[C@H](C)CO1 ZINC001594547428 986224866 /nfs/dbraw/zinc/22/48/66/986224866.db2.gz KCGDGPKSAMLIAC-GHMZBOCLSA-N 0 2 384.263 3.487 20 0 GGADLN C[C@@H]1C[N@@H+](Cc2cn(-c3ccc(Cl)c(Cl)c3)nc2C(=O)[O-])[C@H](C)CO1 ZINC001594547428 986224880 /nfs/dbraw/zinc/22/48/80/986224880.db2.gz KCGDGPKSAMLIAC-GHMZBOCLSA-N 0 2 384.263 3.487 20 0 GGADLN C[C@H]1C[N@H+](Cc2cn(-c3ccc(Cl)c(Cl)c3)nc2C(=O)[O-])[C@@H](C)CO1 ZINC001594547431 986225537 /nfs/dbraw/zinc/22/55/37/986225537.db2.gz KCGDGPKSAMLIAC-QWRGUYRKSA-N 0 2 384.263 3.487 20 0 GGADLN C[C@H]1C[N@@H+](Cc2cn(-c3ccc(Cl)c(Cl)c3)nc2C(=O)[O-])[C@@H](C)CO1 ZINC001594547431 986225549 /nfs/dbraw/zinc/22/55/49/986225549.db2.gz KCGDGPKSAMLIAC-QWRGUYRKSA-N 0 2 384.263 3.487 20 0 GGADLN C[C@H]1C[N@H+](Cc2csc(-c3ccc(C(=O)[O-])cc3)n2)CC2(CCOCC2)O1 ZINC001594547549 986227179 /nfs/dbraw/zinc/22/71/79/986227179.db2.gz LEJBVNFQFXFOEG-AWEZNQCLSA-N 0 2 388.489 3.278 20 0 GGADLN C[C@H]1C[N@@H+](Cc2csc(-c3ccc(C(=O)[O-])cc3)n2)CC2(CCOCC2)O1 ZINC001594547549 986227194 /nfs/dbraw/zinc/22/71/94/986227194.db2.gz LEJBVNFQFXFOEG-AWEZNQCLSA-N 0 2 388.489 3.278 20 0 GGADLN C[C@H]1CN(c2ccc(C(=O)[O-])cc2)CC[N@@H+]1Cc1nc(-c2ccccc2)c[nH]1 ZINC001594566804 986353951 /nfs/dbraw/zinc/35/39/51/986353951.db2.gz APXHDWHXSNZZPX-INIZCTEOSA-N 0 2 376.460 3.486 20 0 GGADLN C[C@H]1CN(c2ccc(C(=O)[O-])cc2)CC[N@H+]1Cc1nc(-c2ccccc2)c[nH]1 ZINC001594566804 986353961 /nfs/dbraw/zinc/35/39/61/986353961.db2.gz APXHDWHXSNZZPX-INIZCTEOSA-N 0 2 376.460 3.486 20 0 GGADLN C[C@H]1CN(c2ccc(C(=O)[O-])cc2)CC[N@@H+]1CC(=O)Nc1cccc(Cl)c1 ZINC001594568169 986367877 /nfs/dbraw/zinc/36/78/77/986367877.db2.gz IIZIMCMPBAFWNY-AWEZNQCLSA-N 0 2 387.867 3.187 20 0 GGADLN C[C@H]1CN(c2ccc(C(=O)[O-])cc2)CC[N@H+]1CC(=O)Nc1cccc(Cl)c1 ZINC001594568169 986367886 /nfs/dbraw/zinc/36/78/86/986367886.db2.gz IIZIMCMPBAFWNY-AWEZNQCLSA-N 0 2 387.867 3.187 20 0 GGADLN C[C@@H]1CN(c2ccc(C(=O)[O-])cc2)CC[N@@H+]1CC(=O)Nc1cccc(Cl)c1 ZINC001594568170 986368512 /nfs/dbraw/zinc/36/85/12/986368512.db2.gz IIZIMCMPBAFWNY-CQSZACIVSA-N 0 2 387.867 3.187 20 0 GGADLN C[C@@H]1CN(c2ccc(C(=O)[O-])cc2)CC[N@H+]1CC(=O)Nc1cccc(Cl)c1 ZINC001594568170 986368517 /nfs/dbraw/zinc/36/85/17/986368517.db2.gz IIZIMCMPBAFWNY-CQSZACIVSA-N 0 2 387.867 3.187 20 0 GGADLN C[C@@H](C(=O)N1CCSc2ccccc21)[N@@H+]1CCc2c(cccc2C(=O)[O-])C1 ZINC001589364314 986383340 /nfs/dbraw/zinc/38/33/40/986383340.db2.gz FHCGWEPVRSLIET-AWEZNQCLSA-N 0 2 382.485 3.270 20 0 GGADLN C[C@@H](C(=O)N1CCSc2ccccc21)[N@H+]1CCc2c(cccc2C(=O)[O-])C1 ZINC001589364314 986383349 /nfs/dbraw/zinc/38/33/49/986383349.db2.gz FHCGWEPVRSLIET-AWEZNQCLSA-N 0 2 382.485 3.270 20 0 GGADLN C[C@H]1CN(c2ccc(C(=O)[O-])cc2)CC[N@@H+]1Cc1nnc(-c2ccccc2)o1 ZINC001594570697 986396204 /nfs/dbraw/zinc/39/62/04/986396204.db2.gz XSDRUKRZRZPNFU-HNNXBMFYSA-N 0 2 378.432 3.146 20 0 GGADLN C[C@H]1CN(c2ccc(C(=O)[O-])cc2)CC[N@H+]1Cc1nnc(-c2ccccc2)o1 ZINC001594570697 986396212 /nfs/dbraw/zinc/39/62/12/986396212.db2.gz XSDRUKRZRZPNFU-HNNXBMFYSA-N 0 2 378.432 3.146 20 0 GGADLN C[C@@H]1CN(c2ccc(NCc3cc(C(=O)[O-])c4n3CCCC4)c[nH+]2)C[C@H](C)O1 ZINC001594574904 986408872 /nfs/dbraw/zinc/40/88/72/986408872.db2.gz GNKAABWBMWHTGE-GASCZTMLSA-N 0 2 384.480 3.143 20 0 GGADLN C[C@@H]1CN(c2ccc(NCc3c4ccccc4[nH]c3C(=O)[O-])c[nH+]2)C[C@@H](C)O1 ZINC001594575562 986411970 /nfs/dbraw/zinc/41/19/70/986411970.db2.gz MTAAPERFHVUJMA-ZIAGYGMSSA-N 0 2 380.448 3.487 20 0 GGADLN C[C@@H]1CN(c2ccc(NCc3c4ccccc4[nH]c3C(=O)[O-])c[nH+]2)C[C@H](C)O1 ZINC001594575560 986412170 /nfs/dbraw/zinc/41/21/70/986412170.db2.gz MTAAPERFHVUJMA-OKILXGFUSA-N 0 2 380.448 3.487 20 0 GGADLN CCOc1cc(C[N@H+](C)Cc2cnccn2)ccc1OCc1ccc(C(=O)[O-])o1 ZINC001597031649 986449962 /nfs/dbraw/zinc/44/99/62/986449962.db2.gz AAMAZWZGKFIRJD-UHFFFAOYSA-N 0 2 397.431 3.378 20 0 GGADLN CCOc1cc(C[N@@H+](C)Cc2cnccn2)ccc1OCc1ccc(C(=O)[O-])o1 ZINC001597031649 986449964 /nfs/dbraw/zinc/44/99/64/986449964.db2.gz AAMAZWZGKFIRJD-UHFFFAOYSA-N 0 2 397.431 3.378 20 0 GGADLN CCOc1ccc(CN(C)C(=O)C[NH2+][C@H](C(=O)[O-])c2cc(C)cc(C)c2)cc1 ZINC001597100512 986706173 /nfs/dbraw/zinc/70/61/73/986706173.db2.gz NMNYCHQDCVBYKP-NRFANRHFSA-N 0 2 384.476 3.076 20 0 GGADLN C[C@@H](C(=O)Nc1cc(F)ccc1F)[N@@H+]1CCC[C@H](c2ncc(C(=O)[O-])s2)C1 ZINC001589431323 986727709 /nfs/dbraw/zinc/72/77/09/986727709.db2.gz GWXQZUBULHQGDD-QWRGUYRKSA-N 0 2 395.431 3.326 20 0 GGADLN C[C@@H](C(=O)Nc1cc(F)ccc1F)[N@H+]1CCC[C@H](c2ncc(C(=O)[O-])s2)C1 ZINC001589431323 986727712 /nfs/dbraw/zinc/72/77/12/986727712.db2.gz GWXQZUBULHQGDD-QWRGUYRKSA-N 0 2 395.431 3.326 20 0 GGADLN C[C@H](C(=O)Nc1ccc(F)cc1Cl)[N@@H+]1CC[C@](C(=O)[O-])(C(F)(F)F)C1 ZINC001589435035 986742854 /nfs/dbraw/zinc/74/28/54/986742854.db2.gz DTWZWRXJFBXNMZ-CLAHSXSESA-N 0 2 382.741 3.145 20 0 GGADLN C[C@H](C(=O)Nc1ccc(F)cc1Cl)[N@H+]1CC[C@](C(=O)[O-])(C(F)(F)F)C1 ZINC001589435035 986742862 /nfs/dbraw/zinc/74/28/62/986742862.db2.gz DTWZWRXJFBXNMZ-CLAHSXSESA-N 0 2 382.741 3.145 20 0 GGADLN C[C@@H](C(=O)Nc1ccccc1C(=O)c1ccccc1)[NH+]1CCC(CC(=O)[O-])CC1 ZINC001589445446 986812933 /nfs/dbraw/zinc/81/29/33/986812933.db2.gz SFDLKUMZAQXGTN-INIZCTEOSA-N 0 2 394.471 3.431 20 0 GGADLN C[C@@H](C(=O)Nc1nc2ccccc2s1)[N@H+]1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC001589449071 986834449 /nfs/dbraw/zinc/83/44/49/986834449.db2.gz YMAMGCXGOMTUOS-WFASDCNBSA-N 0 2 381.457 3.307 20 0 GGADLN C[C@@H](C(=O)Nc1nc2ccccc2s1)[N@@H+]1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC001589449071 986834460 /nfs/dbraw/zinc/83/44/60/986834460.db2.gz YMAMGCXGOMTUOS-WFASDCNBSA-N 0 2 381.457 3.307 20 0 GGADLN C[C@@H]1SCC[N@H+](CN2Cc3ccc(C(=O)[O-])cc3C2=O)[C@@H]1c1ccccc1 ZINC001594664469 986951298 /nfs/dbraw/zinc/95/12/98/986951298.db2.gz PXUMPLDGDZBJKZ-LIRRHRJNSA-N 0 2 382.485 3.477 20 0 GGADLN C[C@@H]1SCC[N@@H+](CN2Cc3ccc(C(=O)[O-])cc3C2=O)[C@@H]1c1ccccc1 ZINC001594664469 986951308 /nfs/dbraw/zinc/95/13/08/986951308.db2.gz PXUMPLDGDZBJKZ-LIRRHRJNSA-N 0 2 382.485 3.477 20 0 GGADLN CCOc1cccc(N2CC[NH+](Cc3cc(C(=O)[O-])ccc3Cl)CC2)n1 ZINC001597159458 986960198 /nfs/dbraw/zinc/96/01/98/986960198.db2.gz HIAYDAXLQPGELK-UHFFFAOYSA-N 0 2 375.856 3.154 20 0 GGADLN CCOc1cccc(N2CC[NH+](Cc3ccc(C(=O)[O-])c(Cl)c3)CC2)n1 ZINC001597159905 986963274 /nfs/dbraw/zinc/96/32/74/986963274.db2.gz ORQSRNLZOTUILC-UHFFFAOYSA-N 0 2 375.856 3.154 20 0 GGADLN C[C@H](C(=O)[O-])[N@H+](Cc1nc(-c2ccc(Br)s2)no1)C1CCC1 ZINC001589486723 987034204 /nfs/dbraw/zinc/03/42/04/987034204.db2.gz LKEKKMPHERXWJN-MRVPVSSYSA-N 0 2 386.271 3.388 20 0 GGADLN C[C@H](C(=O)[O-])[N@@H+](Cc1nc(-c2ccc(Br)s2)no1)C1CCC1 ZINC001589486723 987034215 /nfs/dbraw/zinc/03/42/15/987034215.db2.gz LKEKKMPHERXWJN-MRVPVSSYSA-N 0 2 386.271 3.388 20 0 GGADLN C[C@@H](C(=O)[O-])c1ccc(NC(=O)NCc2ccccc2Cn2cc[nH+]c2)cc1 ZINC001589513105 987155349 /nfs/dbraw/zinc/15/53/49/987155349.db2.gz ZKUQHZHVHSPHNI-OAHLLOKOSA-N 0 2 378.432 3.441 20 0 GGADLN CCS(=O)(=O)c1ccc(C[N@@H+]2CCC[C@H](c3ncc(C(=O)[O-])s3)C2)cc1 ZINC001597234214 987196811 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CC(C)(C)n1c[nH+]cc1[C@H]1CCCN(C(=O)N[C@@H]2CCC[C@H]2CC(=O)[O-])C1 ZINC001590603186 990265269 /nfs/dbraw/zinc/26/52/69/990265269.db2.gz SFAJGPJRGGJMBB-HRCADAONSA-N 0 2 376.501 3.171 20 0 GGADLN CC(C)(C)n1c[nH+]cc1[C@@H]1CCCN(C(=O)NCc2ccccc2CC(=O)[O-])C1 ZINC001590603231 990266575 /nfs/dbraw/zinc/26/65/75/990266575.db2.gz VEUJZWAGHKHTES-GOSISDBHSA-N 0 2 398.507 3.354 20 0 GGADLN C[NH+](C)[C@@H](C(=O)Nc1sc2c(c1C(=O)[O-])CCOC2)c1ccc(Cl)cc1 ZINC001598166174 990682778 /nfs/dbraw/zinc/68/27/78/990682778.db2.gz UDTAIPFBPPUJFD-OAHLLOKOSA-N 0 2 394.880 3.414 20 0 GGADLN COc1ccccc1[C@H](C)N(C)C(=O)C[NH2+][C@@H](C(=O)[O-])c1ccc(C)c(C)c1 ZINC001599696766 991160088 /nfs/dbraw/zinc/16/00/88/991160088.db2.gz AXZLWQMDIPAFRZ-HRAATJIYSA-N 0 2 384.476 3.247 20 0 GGADLN COc1ccccc1[C@H](C)N(C)C(=O)C[NH2+][C@@H](C(=O)[O-])c1ccc(F)c(C)c1 ZINC001599697919 991176214 /nfs/dbraw/zinc/17/62/14/991176214.db2.gz IESKFIQHGYDNLT-VBKZILBWSA-N 0 2 388.439 3.078 20 0 GGADLN 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ZINC001599711205 991373965 /nfs/dbraw/zinc/37/39/65/991373965.db2.gz LBFIQBTWEIANSD-UHFFFAOYSA-N 0 2 394.265 3.150 20 0 GGADLN COc1ccccc1C[NH+]1CCN([C@H](C(=O)[O-])c2c(F)cccc2Cl)CC1 ZINC001599711748 991382186 /nfs/dbraw/zinc/38/21/86/991382186.db2.gz MCMCWBNVJSSYJG-IBGZPJMESA-N 0 2 392.858 3.431 20 0 GGADLN COc1ccccc1O[C@@H]1CCC[N@H+](CC(=O)Nc2cc(C(=O)[O-])ccc2C)C1 ZINC001599714358 991428167 /nfs/dbraw/zinc/42/81/67/991428167.db2.gz FAJUCSJUDCVHIK-QGZVFWFLSA-N 0 2 398.459 3.184 20 0 GGADLN COc1ccccc1O[C@@H]1CCC[N@@H+](CC(=O)Nc2cc(C(=O)[O-])ccc2C)C1 ZINC001599714358 991428173 /nfs/dbraw/zinc/42/81/73/991428173.db2.gz FAJUCSJUDCVHIK-QGZVFWFLSA-N 0 2 398.459 3.184 20 0 GGADLN CN(C)c1[nH+]cc(CN2C[C@@H](C(=O)[O-])Oc3cc(F)ccc32)c2ccccc21 ZINC001598353766 991460225 /nfs/dbraw/zinc/46/02/25/991460225.db2.gz KISCEVVXNFSLAX-IBGZPJMESA-N 0 2 381.407 3.292 20 0 GGADLN CN(C)c1[nH+]ccc2cc(NC(=O)N[C@](C)(CC(=O)[O-])c3cccnc3)ccc21 ZINC001598358510 991476224 /nfs/dbraw/zinc/47/62/24/991476224.db2.gz 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VGSAFRRXSWSORQ-FQEVSTJZSA-N 0 2 384.451 3.074 20 0 GGADLN C[N@@H+](Cc1ccccc1OCc1ccc(C(=O)[O-])cc1)C[C@H](O)C(F)(F)F ZINC001598530339 992770803 /nfs/dbraw/zinc/77/08/03/992770803.db2.gz ACIWOGYZBXXGHM-KRWDZBQOSA-N 0 2 383.366 3.319 20 0 GGADLN C[N@H+](Cc1ccccc1OCc1ccc(C(=O)[O-])cc1)C[C@H](O)C(F)(F)F ZINC001598530339 992770804 /nfs/dbraw/zinc/77/08/04/992770804.db2.gz ACIWOGYZBXXGHM-KRWDZBQOSA-N 0 2 383.366 3.319 20 0 GGADLN C[N@@H+](Cc1ccccc1OCc1ccc(C(=O)[O-])cc1)C[C@@H](O)C(F)(F)F ZINC001598530340 992771108 /nfs/dbraw/zinc/77/11/08/992771108.db2.gz ACIWOGYZBXXGHM-QGZVFWFLSA-N 0 2 383.366 3.319 20 0 GGADLN C[N@H+](Cc1ccccc1OCc1ccc(C(=O)[O-])cc1)C[C@@H](O)C(F)(F)F ZINC001598530340 992771116 /nfs/dbraw/zinc/77/11/16/992771116.db2.gz ACIWOGYZBXXGHM-QGZVFWFLSA-N 0 2 383.366 3.319 20 0 GGADLN Cn1cc(C[N@H+](C)Cc2cn(-c3ccc(Cl)c(Cl)c3)nc2C(=O)[O-])cn1 ZINC001598532775 992804261 /nfs/dbraw/zinc/80/42/61/992804261.db2.gz AOOOTJRSPPKYJW-UHFFFAOYSA-N 0 2 394.262 3.243 20 0 GGADLN Cn1cc(C[N@@H+](C)Cc2cn(-c3ccc(Cl)c(Cl)c3)nc2C(=O)[O-])cn1 ZINC001598532775 992804270 /nfs/dbraw/zinc/80/42/70/992804270.db2.gz AOOOTJRSPPKYJW-UHFFFAOYSA-N 0 2 394.262 3.243 20 0 GGADLN C[N@@H+](Cc1ncc(C(=O)[O-])s1)C[C@@H](O)COc1cc(Cl)cc(Cl)c1 ZINC001598538337 992867911 /nfs/dbraw/zinc/86/79/11/992867911.db2.gz QDSFGVTWPRYPJC-LLVKDONJSA-N 0 2 391.276 3.020 20 0 GGADLN C[N@H+](Cc1ncc(C(=O)[O-])s1)C[C@@H](O)COc1cc(Cl)cc(Cl)c1 ZINC001598538337 992867915 /nfs/dbraw/zinc/86/79/15/992867915.db2.gz QDSFGVTWPRYPJC-LLVKDONJSA-N 0 2 391.276 3.020 20 0 GGADLN CC(C)[N@@H+]1Cc2cccc(NS(=O)(=O)c3ccc(F)c(C(=O)[O-])c3)c2C1 ZINC001591636055 992947670 /nfs/dbraw/zinc/94/76/70/992947670.db2.gz XRGMKXSMFIGUBK-UHFFFAOYSA-N 0 2 378.425 3.049 20 0 GGADLN CC(C)[N@H+]1Cc2cccc(NS(=O)(=O)c3ccc(F)c(C(=O)[O-])c3)c2C1 ZINC001591636055 992947681 /nfs/dbraw/zinc/94/76/81/992947681.db2.gz XRGMKXSMFIGUBK-UHFFFAOYSA-N 0 2 378.425 3.049 20 0 GGADLN C[N@@H+]1CC[C@@H](NC(=O)Nc2cccc(C(=O)[O-])c2)[C@H]1c1ccc(F)c(F)c1 ZINC001598585071 993370883 /nfs/dbraw/zinc/37/08/83/993370883.db2.gz CKVYJMIVKRKPFP-IAGOWNOFSA-N 0 2 375.375 3.230 20 0 GGADLN C[N@H+]1CC[C@@H](NC(=O)Nc2cccc(C(=O)[O-])c2)[C@H]1c1ccc(F)c(F)c1 ZINC001598585071 993370887 /nfs/dbraw/zinc/37/08/87/993370887.db2.gz CKVYJMIVKRKPFP-IAGOWNOFSA-N 0 2 375.375 3.230 20 0 GGADLN C[N@@H+]1CC[C@@H](NC(=O)c2ccc(C(=O)[O-])cc2F)[C@H]1c1ccc(Cl)c(F)c1 ZINC001598587083 993399364 /nfs/dbraw/zinc/39/93/64/993399364.db2.gz RRROEPLMUMKCCA-IAGOWNOFSA-N 0 2 394.805 3.492 20 0 GGADLN C[N@H+]1CC[C@@H](NC(=O)c2ccc(C(=O)[O-])cc2F)[C@H]1c1ccc(Cl)c(F)c1 ZINC001598587083 993399369 /nfs/dbraw/zinc/39/93/69/993399369.db2.gz RRROEPLMUMKCCA-IAGOWNOFSA-N 0 2 394.805 3.492 20 0 GGADLN Cn1cc(NC(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)cc1C(=O)[O-] ZINC001598587135 993400594 /nfs/dbraw/zinc/40/05/94/993400594.db2.gz SXOZGHAFJXMFJT-GOEBONIOSA-N 0 2 394.834 3.083 20 0 GGADLN Cn1cc(NC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)cc1C(=O)[O-] ZINC001598587135 993400596 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GYCWUMHQQVQMOC-HNNXBMFYSA-N 0 2 378.432 3.173 20 0 GGADLN COc1ccc(OC)c([C@@H]2CCC[N@@H+]2CC(=O)Nc2ccsc2C(=O)[O-])c1 ZINC001599602345 993833946 /nfs/dbraw/zinc/83/39/46/993833946.db2.gz FTUMAWZSEGQHSY-HNNXBMFYSA-N 0 2 390.461 3.239 20 0 GGADLN COc1ccc(OC)c([C@@H]2CCC[N@H+]2CC(=O)Nc2ccsc2C(=O)[O-])c1 ZINC001599602345 993833955 /nfs/dbraw/zinc/83/39/55/993833955.db2.gz FTUMAWZSEGQHSY-HNNXBMFYSA-N 0 2 390.461 3.239 20 0 GGADLN C[C@@H]([NH2+][C@H](C(=O)[O-])c1cccc(Br)c1)C(=O)Nc1ccccc1 ZINC001593194821 994141793 /nfs/dbraw/zinc/14/17/93/994141793.db2.gz ODVHEMAYFFAODR-ABAIWWIYSA-N 0 2 377.238 3.192 20 0 GGADLN C[C@@H]([NH2+][C@@](C)(CO)c1cccc(Br)c1)c1ncc(C(=O)[O-])s1 ZINC001593198518 994173508 /nfs/dbraw/zinc/17/35/08/994173508.db2.gz SBTGHHLNFATKQX-PSLIRLAXSA-N 0 2 385.283 3.162 20 0 GGADLN C[C@@H]([NH2+][C@@H](C)c1ncc(C(=O)[O-])s1)C(=O)Nc1ccc(OC(F)F)cc1 ZINC001593202682 994181849 /nfs/dbraw/zinc/18/18/49/994181849.db2.gz AJWXWMIKAGHDCV-BDAKNGLRSA-N 0 2 385.392 3.121 20 0 GGADLN C[C@@H]([NH2+][C@@H](C)c1ncc(C(=O)[O-])s1)C(=O)N1CCSc2ccccc21 ZINC001593203694 994189775 /nfs/dbraw/zinc/18/97/75/994189775.db2.gz GLNGZMDKAZPCML-WDEREUQCSA-N 0 2 377.491 3.019 20 0 GGADLN C[C@H]([NH2+][C@@H](C)c1ncc(C(=O)[O-])s1)C(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC001593203795 994190682 /nfs/dbraw/zinc/19/06/82/994190682.db2.gz HVOWSMDHHCHFNC-DCAQKATOSA-N 0 2 381.885 3.411 20 0 GGADLN C[C@H]([NH2+][C@H](C[C@@H]1CCCO1)C(=O)[O-])c1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC001593204021 994194229 /nfs/dbraw/zinc/19/42/29/994194229.db2.gz LDLLAVGTDZKSHH-LEWSCRJBSA-N 0 2 399.369 3.428 20 0 GGADLN C[C@H]([NH2+][C@@H](C)c1ncc(C(=O)[O-])s1)C(=O)N(C)Cc1c(F)cccc1Cl ZINC001593204154 994197114 /nfs/dbraw/zinc/19/71/14/994197114.db2.gz NAIVKEQKPUFHEO-UWVGGRQHSA-N 0 2 399.875 3.332 20 0 GGADLN C[C@@H]([NH2+][C@@H](C)c1ncc(-c2ccccc2)o1)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC001593204309 994200936 /nfs/dbraw/zinc/20/09/36/994200936.db2.gz PMRGGMUGJIJIGY-CABCVRRESA-N 0 2 393.443 3.395 20 0 GGADLN CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)[NH2+][C@@H](C)c1ncc(C(=O)[O-])s1 ZINC001593204447 994203048 /nfs/dbraw/zinc/20/30/48/994203048.db2.gz RSASCVUNJSFAAT-UONOGXRCSA-N 0 2 375.494 3.318 20 0 GGADLN C[C@@H]([NH2+][C@@H](c1cnn(C)c1)c1ccc(F)cc1)c1ccccc1OCC(=O)[O-] ZINC001593210808 994255773 /nfs/dbraw/zinc/25/57/73/994255773.db2.gz SLSQLOWXUFYCPT-SPLOXXLWSA-N 0 2 383.423 3.463 20 0 GGADLN C[C@@H]([NH2+][C@H](c1cnn(C)c1)c1ccc(F)cc1)c1ccccc1OCC(=O)[O-] ZINC001593210810 994255920 /nfs/dbraw/zinc/25/59/20/994255920.db2.gz SLSQLOWXUFYCPT-SZNDQCEHSA-N 0 2 383.423 3.463 20 0 GGADLN C[C@]([NH2+]CC(=O)N1CCc2ccccc21)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001593229941 994355613 /nfs/dbraw/zinc/35/56/13/994355613.db2.gz DGUCEMRKNMFZOJ-LJQANCHMSA-N 0 2 393.270 3.472 20 0 GGADLN COc1cccc(-c2nc(C[N@H+](C)Cc3ccc(OCC(=O)[O-])cc3)co2)c1 ZINC001599640830 994355944 /nfs/dbraw/zinc/35/59/44/994355944.db2.gz VAKNQUVMDJAMLZ-UHFFFAOYSA-N 0 2 382.416 3.446 20 0 GGADLN COc1cccc(-c2nc(C[N@@H+](C)Cc3ccc(OCC(=O)[O-])cc3)co2)c1 ZINC001599640830 994355950 /nfs/dbraw/zinc/35/59/50/994355950.db2.gz VAKNQUVMDJAMLZ-UHFFFAOYSA-N 0 2 382.416 3.446 20 0 GGADLN COc1cccc(-c2noc([C@@H](C)[NH2+]Cc3[nH]cc(C(=O)[O-])c3C3CC3)n2)c1 ZINC001599641909 994370536 /nfs/dbraw/zinc/37/05/36/994370536.db2.gz NMRWEQDCXAVSIE-LLVKDONJSA-N 0 2 382.420 3.500 20 0 GGADLN COc1cccc(-c2noc([C@H](C)[NH2+]Cc3[nH]cc(C(=O)[O-])c3C3CC3)n2)c1 ZINC001599641910 994370847 /nfs/dbraw/zinc/37/08/47/994370847.db2.gz NMRWEQDCXAVSIE-NSHDSACASA-N 0 2 382.420 3.500 20 0 GGADLN C[C@@H]([NH2+][C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O)c1ncc(C(=O)[O-])s1 ZINC001593231104 994370986 /nfs/dbraw/zinc/37/09/86/994370986.db2.gz IRMVUPMFTDMTIW-PRHODGIISA-N 0 2 383.832 3.090 20 0 GGADLN C[C@H]([NH2+][C@@H]1CCN(c2ccc(F)c(Cl)c2)C1=O)c1ncc(C(=O)[O-])s1 ZINC001593231105 994371587 /nfs/dbraw/zinc/37/15/87/994371587.db2.gz IRMVUPMFTDMTIW-QPUJVOFHSA-N 0 2 383.832 3.090 20 0 GGADLN C[C@@H]([NH2+]CC(=O)N(C)c1ccccc1C(=O)[O-])c1nc(C(F)(F)F)cs1 ZINC001593231300 994372550 /nfs/dbraw/zinc/37/25/50/994372550.db2.gz OQSZOWRRUMGDLO-SECBINFHSA-N 0 2 387.383 3.174 20 0 GGADLN C[C@H]([NH2+]CC(=O)N(C)c1ccccc1C(=O)[O-])c1nc(C(F)(F)F)cs1 ZINC001593231302 994372647 /nfs/dbraw/zinc/37/26/47/994372647.db2.gz OQSZOWRRUMGDLO-VIFPVBQESA-N 0 2 387.383 3.174 20 0 GGADLN C[C@@]([NH2+]CC(=O)N1CCC(Cc2ccccc2)CC1)(C(=O)[O-])c1ccc(F)cc1 ZINC001593231685 994376573 /nfs/dbraw/zinc/37/65/73/994376573.db2.gz RDWPWOCTWIWSGF-QHCPKHFHSA-N 0 2 398.478 3.196 20 0 GGADLN C[C@H]([NH2+]CC(=O)N[C@H](c1cccs1)C(C)(C)C)c1ncc(C(=O)[O-])s1 ZINC001593231665 994376698 /nfs/dbraw/zinc/37/66/98/994376698.db2.gz QWSZPQHYZNHHQZ-IINYFYTJSA-N 0 2 381.523 3.457 20 0 GGADLN C[C@]([NH2+][C@@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)(C(=O)[O-])c1ccccc1 ZINC001593233721 994393120 /nfs/dbraw/zinc/39/31/20/994393120.db2.gz SVGBUFRLXGHTAF-VQIMIIECSA-N 0 2 376.815 3.174 20 0 GGADLN C[C@@]([NH2+]CC(=O)NCc1ccccc1)(C(=O)[O-])c1ccc(Cl)c(Cl)c1 ZINC001593236982 994411087 /nfs/dbraw/zinc/41/10/87/994411087.db2.gz MADKPWCHOXTBIW-SFHVURJKSA-N 0 2 381.259 3.199 20 0 GGADLN C[C@@]([NH2+]CC(=O)Nc1ccc2c(c1)OC1(CCCC1)O2)(C(=O)[O-])c1ccccc1 ZINC001593237627 994414476 /nfs/dbraw/zinc/41/44/76/994414476.db2.gz RTCTUFNKOHIIQW-NRFANRHFSA-N 0 2 396.443 3.256 20 0 GGADLN COc1cccc([C@](C)(CC(=O)[O-])NC(=O)c2cccc(Cn3cc[nH+]c3)c2)c1 ZINC001599653115 994536807 /nfs/dbraw/zinc/53/68/07/994536807.db2.gz RFTIIUWKAQNELC-QFIPXVFZSA-N 0 2 393.443 3.060 20 0 GGADLN COc1cccc([C@](C)(CC(=O)[O-])[NH2+]Cc2nc(Cc3cccc(F)c3)no2)c1 ZINC001599655261 994568461 /nfs/dbraw/zinc/56/84/61/994568461.db2.gz HPPRVGZCECWXCS-NRFANRHFSA-N 0 2 399.422 3.288 20 0 GGADLN COc1cccc([C@@H](C)N2CC[NH+](Cc3ccc(OCC(=O)[O-])cc3)CC2)c1 ZINC001599655689 994575788 /nfs/dbraw/zinc/57/57/88/994575788.db2.gz XDYBPORSMFNKHW-QGZVFWFLSA-N 0 2 384.476 3.037 20 0 GGADLN C[C@H]([NH2+]CCS(=O)(=O)c1ccc(C(C)(C)C)cc1)c1ncc(C(=O)[O-])s1 ZINC001593272760 994613786 /nfs/dbraw/zinc/61/37/86/994613786.db2.gz TXVRJVHRZCEAJU-LBPRGKRZSA-N 0 2 396.534 3.263 20 0 GGADLN C[C@@H]([NH2+]Cc1cc(NC(=O)OC(C)(C)C)ccn1)c1ncc(C(=O)[O-])s1 ZINC001593292808 994679732 /nfs/dbraw/zinc/67/97/32/994679732.db2.gz ORFMDXQTCBSHBJ-SNVBAGLBSA-N 0 2 378.454 3.434 20 0 GGADLN C[C@H]([NH2+]Cc1ccc(C(=O)[O-])c(Br)c1)c1nc(C(F)(F)F)n[nH]1 ZINC001593293888 994686863 /nfs/dbraw/zinc/68/68/63/994686863.db2.gz YFIOIMIMRDQYKQ-LURJTMIESA-N 0 2 393.163 3.135 20 0 GGADLN COc1cccc(C2CC[NH+](Cc3nc4cc(C(=O)[O-])ccc4c(=O)[nH]3)CC2)c1 ZINC001599664271 994704238 /nfs/dbraw/zinc/70/42/38/994704238.db2.gz CDQWNAAUWODAAL-UHFFFAOYSA-N 0 2 393.443 3.422 20 0 GGADLN C[C@H]([NH2+]Cc1ccc(C(=O)[O-])cc1Br)c1nnc2ccccn21 ZINC001593297644 994705837 /nfs/dbraw/zinc/70/58/37/994705837.db2.gz XKTHDTGUBGSPOB-JTQLQIEISA-N 0 2 375.226 3.041 20 0 GGADLN C[C@H]([NH2+]Cc1nc(Cc2ccc(F)cc2)no1)c1ccc(OCC(=O)[O-])cc1 ZINC001593311380 994780789 /nfs/dbraw/zinc/78/07/89/994780789.db2.gz GBLKMLCWJDZIEX-ZDUSSCGKSA-N 0 2 385.395 3.114 20 0 GGADLN COc1cccc(OC)c1OC1CC[NH+]([C@H](C)c2ncc(C(=O)[O-])s2)CC1 ZINC001599681812 994995107 /nfs/dbraw/zinc/99/51/07/994995107.db2.gz HDSPMNWPVZWQSL-GFCCVEGCSA-N 0 2 392.477 3.463 20 0 GGADLN COC(=O)[C@H](Cc1ccccc1Br)[NH2+]C1CCC(CC(=O)[O-])CC1 ZINC001598705736 995283696 /nfs/dbraw/zinc/28/36/96/995283696.db2.gz XSWHHSRNDHOLAI-PXCJXSSVSA-N 0 2 398.297 3.156 20 0 GGADLN COC(=O)[C@H](c1cccc(C(=O)[O-])c1)[N@@H+]1CCC[C@@]2(C1)OCc1ccccc12 ZINC001598711599 995355733 /nfs/dbraw/zinc/35/57/33/995355733.db2.gz HRUBHYPDYUHMEW-UGKGYDQZSA-N 0 2 381.428 3.120 20 0 GGADLN COC(=O)[C@H](c1cccc(C(=O)[O-])c1)[N@H+]1CCC[C@@]2(C1)OCc1ccccc12 ZINC001598711599 995355740 /nfs/dbraw/zinc/35/57/40/995355740.db2.gz HRUBHYPDYUHMEW-UGKGYDQZSA-N 0 2 381.428 3.120 20 0 GGADLN COC(=O)[C@H](c1cccc(C(=O)[O-])c1)[N@@H+]1CC[C@@H](c2ccc(OC)c(F)c2)C1 ZINC001598714250 995385524 /nfs/dbraw/zinc/38/55/24/995385524.db2.gz UEPCSEQIZCEXLE-APWZRJJASA-N 0 2 387.407 3.236 20 0 GGADLN COC(=O)[C@H](c1cccc(C(=O)[O-])c1)[N@H+]1CC[C@@H](c2ccc(OC)c(F)c2)C1 ZINC001598714250 995385531 /nfs/dbraw/zinc/38/55/31/995385531.db2.gz UEPCSEQIZCEXLE-APWZRJJASA-N 0 2 387.407 3.236 20 0 GGADLN COC(=O)[C@H]1C[C@H](C(=O)[O-])CC[N@@H+]1Cc1ccc(Oc2cccnc2)c(C)c1 ZINC001598755347 995707965 /nfs/dbraw/zinc/70/79/65/995707965.db2.gz DBXQASLQMMUAPP-SJLPKXTDSA-N 0 2 384.432 3.021 20 0 GGADLN COC(=O)[C@H]1C[C@H](C(=O)[O-])CC[N@H+]1Cc1ccc(Oc2cccnc2)c(C)c1 ZINC001598755347 995707970 /nfs/dbraw/zinc/70/79/70/995707970.db2.gz DBXQASLQMMUAPP-SJLPKXTDSA-N 0 2 384.432 3.021 20 0 GGADLN COC(=O)[C@H]1C[C@H](C(=O)[O-])CC[N@@H+]1Cc1ccc(-c2cccc(F)c2F)o1 ZINC001598755517 995709347 /nfs/dbraw/zinc/70/93/47/995709347.db2.gz DSFYGAPAKCPQFH-IAQYHMDHSA-N 0 2 379.359 3.063 20 0 GGADLN COC(=O)[C@H]1C[C@H](C(=O)[O-])CC[N@H+]1Cc1ccc(-c2cccc(F)c2F)o1 ZINC001598755517 995709352 /nfs/dbraw/zinc/70/93/52/995709352.db2.gz DSFYGAPAKCPQFH-IAQYHMDHSA-N 0 2 379.359 3.063 20 0 GGADLN COC(=O)[C@@H]1C[C@@H](C(=O)[O-])CC[N@@H+]1Cc1ccc(-c2cccc(F)c2F)o1 ZINC001598755521 995709787 /nfs/dbraw/zinc/70/97/87/995709787.db2.gz DSFYGAPAKCPQFH-NHYWBVRUSA-N 0 2 379.359 3.063 20 0 GGADLN COC(=O)[C@@H]1C[C@@H](C(=O)[O-])CC[N@H+]1Cc1ccc(-c2cccc(F)c2F)o1 ZINC001598755521 995709792 /nfs/dbraw/zinc/70/97/92/995709792.db2.gz DSFYGAPAKCPQFH-NHYWBVRUSA-N 0 2 379.359 3.063 20 0 GGADLN COC(=O)[C@H]1C[C@@H](C(=O)[O-])CC[N@@H+]1Cc1ccc(-c2cccc(F)c2F)o1 ZINC001598755524 995710223 /nfs/dbraw/zinc/71/02/23/995710223.db2.gz DSFYGAPAKCPQFH-XHDPSFHLSA-N 0 2 379.359 3.063 20 0 GGADLN COC(=O)[C@H]1C[C@@H](C(=O)[O-])CC[N@H+]1Cc1ccc(-c2cccc(F)c2F)o1 ZINC001598755524 995710232 /nfs/dbraw/zinc/71/02/32/995710232.db2.gz DSFYGAPAKCPQFH-XHDPSFHLSA-N 0 2 379.359 3.063 20 0 GGADLN COC(=O)[C@H]1C[C@H](C(=O)[O-])CC[N@@H+]1Cc1ccc(SC(F)(F)F)cc1 ZINC001598762107 995787908 /nfs/dbraw/zinc/78/79/08/995787908.db2.gz UEDYTEFZIGSWJH-DGCLKSJQSA-N 0 2 377.384 3.137 20 0 GGADLN COC(=O)[C@H]1C[C@H](C(=O)[O-])CC[N@H+]1Cc1ccc(SC(F)(F)F)cc1 ZINC001598762107 995787915 /nfs/dbraw/zinc/78/79/15/995787915.db2.gz UEDYTEFZIGSWJH-DGCLKSJQSA-N 0 2 377.384 3.137 20 0 GGADLN C[C@@H](Oc1ccc(C[N@@H+]2CC(C)(C)O[C@@](C)(C(F)(F)F)C2)cc1)C(=O)[O-] ZINC001593615032 995828465 /nfs/dbraw/zinc/82/84/65/995828465.db2.gz DZOLPHYUBYNBQI-SJKOYZFVSA-N 0 2 375.387 3.470 20 0 GGADLN C[C@@H](Oc1ccc(C[N@H+]2CC(C)(C)O[C@@](C)(C(F)(F)F)C2)cc1)C(=O)[O-] ZINC001593615032 995828470 /nfs/dbraw/zinc/82/84/70/995828470.db2.gz DZOLPHYUBYNBQI-SJKOYZFVSA-N 0 2 375.387 3.470 20 0 GGADLN C[C@H](Oc1ccc(NC(=O)NCc2ccc(-n3cc[nH+]c3)cc2)cc1F)C(=O)[O-] ZINC001593632272 995919182 /nfs/dbraw/zinc/91/91/82/995919182.db2.gz SQTGJKQOHVMGKE-ZDUSSCGKSA-N 0 2 398.394 3.185 20 0 GGADLN COC(=O)[C@H]1CC[C@@H](C(=O)[O-])C[N@@H+]1Cc1ccccc1OCc1ccccc1 ZINC001598776270 995932625 /nfs/dbraw/zinc/93/26/25/995932625.db2.gz JILCVNUUYATUKA-RTBURBONSA-N 0 2 383.444 3.104 20 0 GGADLN COC(=O)[C@H]1CC[C@@H](C(=O)[O-])C[N@H+]1Cc1ccccc1OCc1ccccc1 ZINC001598776270 995932628 /nfs/dbraw/zinc/93/26/28/995932628.db2.gz JILCVNUUYATUKA-RTBURBONSA-N 0 2 383.444 3.104 20 0 GGADLN C[C@H](c1ccccc1)N(C)C(=O)C[N@@H+](C)Cc1ccccc1O[C@@H](C)C(=O)[O-] ZINC001593644472 995961647 /nfs/dbraw/zinc/96/16/47/995961647.db2.gz KUKMIFLTBSBATD-SJORKVTESA-N 0 2 384.476 3.190 20 0 GGADLN C[C@H](c1ccccc1)N(C)C(=O)C[N@H+](C)Cc1ccccc1O[C@@H](C)C(=O)[O-] ZINC001593644472 995961649 /nfs/dbraw/zinc/96/16/49/995961649.db2.gz KUKMIFLTBSBATD-SJORKVTESA-N 0 2 384.476 3.190 20 0 GGADLN C[C@@H](Oc1ccccc1C[N@H+](C)CC(=O)N(C)[C@H](C)c1ccccc1)C(=O)[O-] ZINC001593644470 995961768 /nfs/dbraw/zinc/96/17/68/995961768.db2.gz KUKMIFLTBSBATD-IAGOWNOFSA-N 0 2 384.476 3.190 20 0 GGADLN C[C@@H](Oc1ccccc1C[N@@H+](C)CC(=O)N(C)[C@H](C)c1ccccc1)C(=O)[O-] ZINC001593644470 995961776 /nfs/dbraw/zinc/96/17/76/995961776.db2.gz KUKMIFLTBSBATD-IAGOWNOFSA-N 0 2 384.476 3.190 20 0 GGADLN C[C@@H](Sc1ccccc1C(=O)NCc1cccc(Cn2cc[nH+]c2)c1)C(=O)[O-] ZINC001593673327 996083755 /nfs/dbraw/zinc/08/37/55/996083755.db2.gz SLNNDCXIIJNQLP-OAHLLOKOSA-N 0 2 395.484 3.427 20 0 GGADLN C[C@H](Sc1ccccc1C(=O)NCc1ccccc1Cn1cc[nH+]c1)C(=O)[O-] ZINC001593673417 996084726 /nfs/dbraw/zinc/08/47/26/996084726.db2.gz VBDJBQBHRVYYIM-HNNXBMFYSA-N 0 2 395.484 3.427 20 0 GGADLN C[C@@H](Sc1ccccc1C(=O)NCc1ccccc1Cn1cc[nH+]c1)C(=O)[O-] ZINC001593673419 996085017 /nfs/dbraw/zinc/08/50/17/996085017.db2.gz VBDJBQBHRVYYIM-OAHLLOKOSA-N 0 2 395.484 3.427 20 0 GGADLN C[C@H](c1ccc(Br)cc1)N1CC[NH+](Cc2oncc2C(=O)[O-])CC1 ZINC001593686438 996123320 /nfs/dbraw/zinc/12/33/20/996123320.db2.gz PEZBTUGHQZEQLW-GFCCVEGCSA-N 0 2 394.269 3.014 20 0 GGADLN COC(=O)[C@@H]1CC[N@H+](Cc2ccc(-c3ccc(Cl)cc3)o2)[C@@H](C(=O)[O-])C1 ZINC001598802347 996149586 /nfs/dbraw/zinc/14/95/86/996149586.db2.gz XEGGGSMYPFJOTG-CZUORRHYSA-N 0 2 377.824 3.438 20 0 GGADLN COC(=O)[C@@H]1CC[N@@H+](Cc2ccc(-c3ccc(Cl)cc3)o2)[C@@H](C(=O)[O-])C1 ZINC001598802347 996149588 /nfs/dbraw/zinc/14/95/88/996149588.db2.gz XEGGGSMYPFJOTG-CZUORRHYSA-N 0 2 377.824 3.438 20 0 GGADLN C[C@@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+]1CCC[C@H](c2ncc(C(=O)[O-])s2)C1 ZINC001593700039 996174071 /nfs/dbraw/zinc/17/40/71/996174071.db2.gz SXFUJZOQPRFLTA-JSGCOSHPSA-N 0 2 394.518 3.185 20 0 GGADLN C[C@@H](c1ccc(S(C)(=O)=O)cc1)[N@H+]1CCC[C@H](c2ncc(C(=O)[O-])s2)C1 ZINC001593700039 996174074 /nfs/dbraw/zinc/17/40/74/996174074.db2.gz SXFUJZOQPRFLTA-JSGCOSHPSA-N 0 2 394.518 3.185 20 0 GGADLN C[C@@H](c1cccc(NC(=O)N[C@H](CC(=O)[O-])C2CCCC2)c1)[NH+]1CCOCC1 ZINC001593703769 996181206 /nfs/dbraw/zinc/18/12/06/996181206.db2.gz UVHFNSXQAUHKEG-HNAYVOBHSA-N 0 2 389.496 3.235 20 0 GGADLN C[C@@H](c1cccc(NC(=O)N[C@H](CC(=O)[O-])C(C)(C)C)c1)[NH+]1CCOCC1 ZINC001593703736 996181320 /nfs/dbraw/zinc/18/13/20/996181320.db2.gz UBBQDLZJHQJEAF-WMLDXEAASA-N 0 2 377.485 3.091 20 0 GGADLN C[C@H](c1cccc(NC(=O)N[C@H](CC(=O)[O-])C2CCCC2)c1)[NH+]1CCOCC1 ZINC001593703768 996181368 /nfs/dbraw/zinc/18/13/68/996181368.db2.gz UVHFNSXQAUHKEG-DNVCBOLYSA-N 0 2 389.496 3.235 20 0 GGADLN C[C@H](c1ccccc1F)[N@H+](C)CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC001593716730 996232387 /nfs/dbraw/zinc/23/23/87/996232387.db2.gz BXIAWLSMSMAODI-VLIAUNLRSA-N 0 2 397.450 3.112 20 0 GGADLN C[C@H](c1ccccc1F)[N@@H+](C)CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC001593716730 996232391 /nfs/dbraw/zinc/23/23/91/996232391.db2.gz BXIAWLSMSMAODI-VLIAUNLRSA-N 0 2 397.450 3.112 20 0 GGADLN C[C@@H](c1ccccc1F)[N@H+](C)CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC001593716731 996232402 /nfs/dbraw/zinc/23/24/02/996232402.db2.gz BXIAWLSMSMAODI-XOBRGWDASA-N 0 2 397.450 3.112 20 0 GGADLN C[C@@H](c1ccccc1F)[N@@H+](C)CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-] ZINC001593716731 996232407 /nfs/dbraw/zinc/23/24/07/996232407.db2.gz BXIAWLSMSMAODI-XOBRGWDASA-N 0 2 397.450 3.112 20 0 GGADLN C[C@@H](c1nc(C(=O)[O-])co1)[N@H+](C)C[C@@H](O)COc1cc(Cl)cc(Cl)c1 ZINC001593725890 996283370 /nfs/dbraw/zinc/28/33/70/996283370.db2.gz VUGKUXSUFOYAPR-JOYOIKCWSA-N 0 2 389.235 3.112 20 0 GGADLN C[C@@H](c1nc(C(=O)[O-])co1)[N@@H+](C)C[C@@H](O)COc1cc(Cl)cc(Cl)c1 ZINC001593725890 996283374 /nfs/dbraw/zinc/28/33/74/996283374.db2.gz VUGKUXSUFOYAPR-JOYOIKCWSA-N 0 2 389.235 3.112 20 0 GGADLN C[C@H](c1nc(C(=O)[O-])co1)[N@H+](C)C[C@@H](O)COc1cc(Cl)cc(Cl)c1 ZINC001593725888 996283495 /nfs/dbraw/zinc/28/34/95/996283495.db2.gz VUGKUXSUFOYAPR-BXKDBHETSA-N 0 2 389.235 3.112 20 0 GGADLN C[C@H](c1nc(C(=O)[O-])co1)[N@@H+](C)C[C@@H](O)COc1cc(Cl)cc(Cl)c1 ZINC001593725888 996283501 /nfs/dbraw/zinc/28/35/01/996283501.db2.gz VUGKUXSUFOYAPR-BXKDBHETSA-N 0 2 389.235 3.112 20 0 GGADLN C[C@@H](c1nc2ccccc2c(=O)[nH]1)[NH+]1CCC(c2ncc(C(=O)[O-])s2)CC1 ZINC001593733929 996321474 /nfs/dbraw/zinc/32/14/74/996321474.db2.gz NWXWSLGPVYSVCK-NSHDSACASA-N 0 2 384.461 3.431 20 0 GGADLN C[C@@H](c1nnc(-c2ccc3ccccc3c2)o1)N1CC[NH+](C(C)(C)C(=O)[O-])CC1 ZINC001593737163 996332790 /nfs/dbraw/zinc/33/27/90/996332790.db2.gz DAZHGVNKRBKOPS-HNNXBMFYSA-N 0 2 394.475 3.432 20 0 GGADLN C[C@H](c1nnc(N2CCC[C@@H](CCC(=O)[O-])C2)n1C)[N@H+](C)Cc1ccccc1 ZINC001593738410 996346847 /nfs/dbraw/zinc/34/68/47/996346847.db2.gz TVDCXFAZRHCPDE-AEFFLSMTSA-N 0 2 385.512 3.089 20 0 GGADLN C[C@H](c1nnc(N2CCC[C@@H](CCC(=O)[O-])C2)n1C)[N@@H+](C)Cc1ccccc1 ZINC001593738410 996346854 /nfs/dbraw/zinc/34/68/54/996346854.db2.gz TVDCXFAZRHCPDE-AEFFLSMTSA-N 0 2 385.512 3.089 20 0 GGADLN C[C@@H](c1nnc(N2CCC[C@H](CCC(=O)[O-])C2)n1C)[N@H+](C)Cc1ccccc1 ZINC001593738411 996347079 /nfs/dbraw/zinc/34/70/79/996347079.db2.gz TVDCXFAZRHCPDE-FUHWJXTLSA-N 0 2 385.512 3.089 20 0 GGADLN C[C@@H](c1nnc(N2CCC[C@H](CCC(=O)[O-])C2)n1C)[N@@H+](C)Cc1ccccc1 ZINC001593738411 996347084 /nfs/dbraw/zinc/34/70/84/996347084.db2.gz TVDCXFAZRHCPDE-FUHWJXTLSA-N 0 2 385.512 3.089 20 0 GGADLN C[C@@]1(C(=O)[O-])CCC[N@H+](Cn2nc(C3CC3)n(Cc3ccco3)c2=S)C1 ZINC001593778207 996486477 /nfs/dbraw/zinc/48/64/77/996486477.db2.gz DWQLVFXVRZRRCC-GOSISDBHSA-N 0 2 376.482 3.077 20 0 GGADLN C[C@@]1(C(=O)[O-])CCC[N@@H+](Cn2nc(C3CC3)n(Cc3ccco3)c2=S)C1 ZINC001593778207 996486481 /nfs/dbraw/zinc/48/64/81/996486481.db2.gz DWQLVFXVRZRRCC-GOSISDBHSA-N 0 2 376.482 3.077 20 0 GGADLN COC[C@H]([NH2+]CC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)[O-])c1ccco1 ZINC001599175207 996829444 /nfs/dbraw/zinc/82/94/44/996829444.db2.gz ZYLXJHGRKVYSFD-LBPRGKRZSA-N 0 2 387.219 3.200 20 0 GGADLN CC1(C)C[N@@H+]([C@H]2CCN(c3sccc3C(=O)[O-])C2=O)CC[C@@H]1C(F)(F)F ZINC001593940098 996942580 /nfs/dbraw/zinc/94/25/80/996942580.db2.gz DYGUHNRXGWJOIL-RYUDHWBXSA-N 0 2 390.427 3.462 20 0 GGADLN CC1(C)C[N@H+]([C@H]2CCN(c3sccc3C(=O)[O-])C2=O)CC[C@@H]1C(F)(F)F ZINC001593940098 996942591 /nfs/dbraw/zinc/94/25/91/996942591.db2.gz DYGUHNRXGWJOIL-RYUDHWBXSA-N 0 2 390.427 3.462 20 0 GGADLN CC1(C)C[N@@H+]([C@@H]2CCN(c3sccc3C(=O)[O-])C2=O)CC[C@@H]1C(F)(F)F ZINC001593940096 996942720 /nfs/dbraw/zinc/94/27/20/996942720.db2.gz DYGUHNRXGWJOIL-NEPJUHHUSA-N 0 2 390.427 3.462 20 0 GGADLN CC1(C)C[N@H+]([C@@H]2CCN(c3sccc3C(=O)[O-])C2=O)CC[C@@H]1C(F)(F)F ZINC001593940096 996942724 /nfs/dbraw/zinc/94/27/24/996942724.db2.gz DYGUHNRXGWJOIL-NEPJUHHUSA-N 0 2 390.427 3.462 20 0 GGADLN COCc1cc(NC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)cc(C(=O)[O-])c1 ZINC001599286281 996983343 /nfs/dbraw/zinc/98/33/43/996983343.db2.gz PZWREFIHLPYOPG-UHFFFAOYSA-N 0 2 398.463 3.238 20 0 GGADLN CO[C@]1(C(F)(F)F)CCC[N@@H+]([C@H](C)C(=O)Nc2cc(C(=O)[O-])ccc2C)C1 ZINC001599084373 997069059 /nfs/dbraw/zinc/06/90/59/997069059.db2.gz SZHMLRBFQJNUSD-SJKOYZFVSA-N 0 2 388.386 3.064 20 0 GGADLN CO[C@]1(C(F)(F)F)CCC[N@H+]([C@H](C)C(=O)Nc2cc(C(=O)[O-])ccc2C)C1 ZINC001599084373 997069070 /nfs/dbraw/zinc/06/90/70/997069070.db2.gz SZHMLRBFQJNUSD-SJKOYZFVSA-N 0 2 388.386 3.064 20 0 GGADLN COc1ccc(C(=O)[O-])cc1C[N@H+]1[C@H](C)CN(C(=O)OC(C)(C)C)C[C@@H]1C ZINC001599500834 997115743 /nfs/dbraw/zinc/11/57/43/997115743.db2.gz MCXWLEAPYNOELL-OKILXGFUSA-N 0 2 378.469 3.223 20 0 GGADLN COc1ccc(C(=O)[O-])cc1C[N@@H+]1[C@H](C)CN(C(=O)OC(C)(C)C)C[C@@H]1C ZINC001599500834 997115748 /nfs/dbraw/zinc/11/57/48/997115748.db2.gz MCXWLEAPYNOELL-OKILXGFUSA-N 0 2 378.469 3.223 20 0 GGADLN COc1ccc(C(=O)[O-])cc1C[N@@H+]1CCc2c(ncn2-c2ccc(F)cc2)C1 ZINC001599501064 997121795 /nfs/dbraw/zinc/12/17/95/997121795.db2.gz PYNFSIIRDPBASR-UHFFFAOYSA-N 0 2 381.407 3.277 20 0 GGADLN COc1ccc(C(=O)[O-])cc1C[N@H+]1CCc2c(ncn2-c2ccc(F)cc2)C1 ZINC001599501064 997121804 /nfs/dbraw/zinc/12/18/04/997121804.db2.gz PYNFSIIRDPBASR-UHFFFAOYSA-N 0 2 381.407 3.277 20 0 GGADLN COc1cc(/C=C\C(=O)[O-])ccc1OC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC001599396021 997128150 /nfs/dbraw/zinc/12/81/50/997128150.db2.gz GJTWNYUJPUTUJV-NTMALXAHSA-N 0 2 392.411 3.186 20 0 GGADLN COC[C@]1(C(=O)[O-])CCC[N@@H+]1Cc1cc(Cl)ccc1OCc1cccnc1 ZINC001599193057 997159199 /nfs/dbraw/zinc/15/91/99/997159199.db2.gz SPCRKCQZYCVPMJ-FQEVSTJZSA-N 0 2 390.867 3.380 20 0 GGADLN COC[C@]1(C(=O)[O-])CCC[N@H+]1Cc1cc(Cl)ccc1OCc1cccnc1 ZINC001599193057 997159201 /nfs/dbraw/zinc/15/92/01/997159201.db2.gz SPCRKCQZYCVPMJ-FQEVSTJZSA-N 0 2 390.867 3.380 20 0 GGADLN COCc1ccccc1/C=C(\C)C[N@H+](CCC(=O)[O-])CC(=O)OC(C)(C)C ZINC001599297666 997174795 /nfs/dbraw/zinc/17/47/95/997174795.db2.gz NDKHEQKLMZTPPE-FOWTUZBSSA-N 0 2 377.481 3.355 20 0 GGADLN COCc1ccccc1/C=C(\C)C[N@@H+](CCC(=O)[O-])CC(=O)OC(C)(C)C ZINC001599297666 997174799 /nfs/dbraw/zinc/17/47/99/997174799.db2.gz NDKHEQKLMZTPPE-FOWTUZBSSA-N 0 2 377.481 3.355 20 0 GGADLN COCc1ncc2c(n1)CC[N@@H+](Cc1ccc(-c3ccc(C(=O)[O-])cc3)o1)C2 ZINC001599304155 997285125 /nfs/dbraw/zinc/28/51/25/997285125.db2.gz HQOCIUZSCYMYKJ-UHFFFAOYSA-N 0 2 379.416 3.140 20 0 GGADLN COCc1ncc2c(n1)CC[N@H+](Cc1ccc(-c3ccc(C(=O)[O-])cc3)o1)C2 ZINC001599304155 997285138 /nfs/dbraw/zinc/28/51/38/997285138.db2.gz HQOCIUZSCYMYKJ-UHFFFAOYSA-N 0 2 379.416 3.140 20 0 GGADLN COc1cc(C[N@H+](CC(=O)[O-])Cc2c[nH]nc2-c2cccs2)cc(OC)c1 ZINC001599405646 997292336 /nfs/dbraw/zinc/29/23/36/997292336.db2.gz FDIOMZNNYSSEBZ-UHFFFAOYSA-N 0 2 387.461 3.242 20 0 GGADLN COc1cc(C[N@@H+](CC(=O)[O-])Cc2c[nH]nc2-c2cccs2)cc(OC)c1 ZINC001599405646 997292349 /nfs/dbraw/zinc/29/23/49/997292349.db2.gz FDIOMZNNYSSEBZ-UHFFFAOYSA-N 0 2 387.461 3.242 20 0 GGADLN COCc1ncc2c(n1)CC[N@@H+](Cc1ccc(-c3ccccc3C(=O)[O-])o1)C2 ZINC001599304665 997293648 /nfs/dbraw/zinc/29/36/48/997293648.db2.gz WJOXJMQYBZXXQZ-UHFFFAOYSA-N 0 2 379.416 3.140 20 0 GGADLN COCc1ncc2c(n1)CC[N@H+](Cc1ccc(-c3ccccc3C(=O)[O-])o1)C2 ZINC001599304665 997293664 /nfs/dbraw/zinc/29/36/64/997293664.db2.gz WJOXJMQYBZXXQZ-UHFFFAOYSA-N 0 2 379.416 3.140 20 0 GGADLN COc1cc(C[N@H+](C)CC(=O)Nc2cccc(C(=O)[O-])c2)ccc1OC(F)F ZINC001599406120 997306565 /nfs/dbraw/zinc/30/65/65/997306565.db2.gz SUXCWUVTAGODRL-UHFFFAOYSA-N 0 2 394.374 3.065 20 0 GGADLN COc1cc(C[N@@H+](C)CC(=O)Nc2cccc(C(=O)[O-])c2)ccc1OC(F)F ZINC001599406120 997306577 /nfs/dbraw/zinc/30/65/77/997306577.db2.gz SUXCWUVTAGODRL-UHFFFAOYSA-N 0 2 394.374 3.065 20 0 GGADLN COc1cc(C[NH+]2CC3(C2)CC(F)(F)C3)c(Br)cc1C(=O)[O-] ZINC001599407071 997331257 /nfs/dbraw/zinc/33/12/57/997331257.db2.gz MXKJEBSZHWWUKE-UHFFFAOYSA-N 0 2 376.197 3.387 20 0 GGADLN COc1cc(C[N@@H+]2CCC[C@H]2c2nc(C(=O)[O-])c(C)s2)cc2c1OCO2 ZINC001599407871 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ACYKNOCNUVZRFE-UHFFFAOYSA-N 0 2 376.821 3.476 20 0 GGADLN O=C(Cc1ccc(NS(=O)(=O)c2cccs2)cc1)N[C@H]1CC=CCC1 ZINC000172392283 565482677 /nfs/dbraw/zinc/48/26/77/565482677.db2.gz PAVRKBNQBRLSAI-HNNXBMFYSA-N 0 2 376.503 3.316 20 0 GGADLN Cc1ccc(NC(=O)N2CCN(C(=O)[C@@H](F)C(F)(F)F)CC2)cc1Cl ZINC000277317556 565489258 /nfs/dbraw/zinc/48/92/58/565489258.db2.gz FNXFUJJIOXXNBO-GFCCVEGCSA-N 0 2 381.757 3.225 20 0 GGADLN Cc1ccc(NC(=O)N2CCN(C(=O)C(F)C(F)(F)F)CC2)cc1Cl ZINC000277317556 565489262 /nfs/dbraw/zinc/48/92/62/565489262.db2.gz FNXFUJJIOXXNBO-GFCCVEGCSA-N 0 2 381.757 3.225 20 0 GGADLN COC[C@@H](C)n1ccc(NC(=O)c2cc(Br)cc(Cl)c2O)n1 ZINC000189843515 565492482 /nfs/dbraw/zinc/49/24/82/565492482.db2.gz GRRKESMMWBFQGX-MRVPVSSYSA-N 0 2 388.649 3.464 20 0 GGADLN COC(=O)c1scc(C)c1S(=O)(=O)Nc1cnoc1-c1ccccc1 ZINC000190049273 565504309 /nfs/dbraw/zinc/50/43/09/565504309.db2.gz FHJDEOOINSEIDR-UHFFFAOYSA-N 0 2 378.431 3.299 20 0 GGADLN O=C1CCCc2ccc(S(=O)(=O)Nc3nc4c(s3)CSCC4)cc21 ZINC000377981851 565508192 /nfs/dbraw/zinc/50/81/92/565508192.db2.gz DYNIMGRSUHPWMX-UHFFFAOYSA-N 0 2 380.516 3.252 20 0 GGADLN COC(=O)c1sccc1S(=O)(=O)Nc1ccccc1CC(F)(F)F ZINC000172901651 565512487 /nfs/dbraw/zinc/51/24/87/565512487.db2.gz KRHXBKDQTCWCAF-UHFFFAOYSA-N 0 2 379.381 3.440 20 0 GGADLN CC(=O)Nc1cc(F)c(S(=O)(=O)N[C@H]2CCCC[C@@H]2C)c(F)c1Cl ZINC000172966904 565516199 /nfs/dbraw/zinc/51/61/99/565516199.db2.gz DLNJTFJBQJRQRE-KWQFWETISA-N 0 2 380.844 3.434 20 0 GGADLN CC(=O)Nc1cc(F)c(S(=O)(=O)NCc2cccs2)c(F)c1Cl ZINC000172969643 565516796 /nfs/dbraw/zinc/51/67/96/565516796.db2.gz BZPDWKQQNVRLEL-UHFFFAOYSA-N 0 2 380.825 3.117 20 0 GGADLN CC(C)n1cc(Br)cc1C(=O)Nc1ccc(-c2nc(=O)o[nH]2)cc1 ZINC000172976777 565517276 /nfs/dbraw/zinc/51/72/76/565517276.db2.gz VOYJWYJGWYKQDE-UHFFFAOYSA-N 0 2 391.225 3.427 20 0 GGADLN Cc1cc(S(=O)(=O)Nc2cc(F)cc(N3CCOCC3)c2)sc1Cl ZINC000190272154 565519821 /nfs/dbraw/zinc/51/98/21/565519821.db2.gz XRNUSAGJVZXNAH-UHFFFAOYSA-N 0 2 390.889 3.486 20 0 GGADLN CC(=O)Nc1cc(F)c(S(=O)(=O)NCc2cccc(F)c2)c(F)c1Cl ZINC000173020526 565519966 /nfs/dbraw/zinc/51/99/66/565519966.db2.gz CSBDTDXIZKJSRP-UHFFFAOYSA-N 0 2 392.786 3.194 20 0 GGADLN CC(=O)Nc1cc(F)c(S(=O)(=O)N[C@@H]2CCC[C@H](C)C2)c(F)c1Cl ZINC000173018871 565520281 /nfs/dbraw/zinc/52/02/81/565520281.db2.gz UHYNNFQSAKNCNF-WCBMZHEXSA-N 0 2 380.844 3.434 20 0 GGADLN Cc1cc(S(=O)(=O)Nc2ccc(CS(C)(=O)=O)c(F)c2)sc1Cl ZINC000190322524 565522273 /nfs/dbraw/zinc/52/22/73/565522273.db2.gz AVRZOCOIEMWPEK-UHFFFAOYSA-N 0 2 397.902 3.194 20 0 GGADLN CCOC(=O)C(C)(C)n1cc(NS(=O)(=O)c2cc(C)c(Cl)s2)cn1 ZINC000190326231 565522452 /nfs/dbraw/zinc/52/24/52/565522452.db2.gz JZSRCQPFHDTNJO-UHFFFAOYSA-N 0 2 391.902 3.005 20 0 GGADLN O=S(=O)(Nc1nnc(-c2cccs2)o1)c1ccc(Br)cc1 ZINC000190351130 565524643 /nfs/dbraw/zinc/52/46/43/565524643.db2.gz DDZCXRHVCCAHSA-UHFFFAOYSA-N 0 2 386.252 3.361 20 0 GGADLN O=S(=O)(Nc1nnc(-c2cccs2)o1)c1ccc(OCC(F)F)cc1 ZINC000190353112 565525539 /nfs/dbraw/zinc/52/55/39/565525539.db2.gz JPPFSBPXBRUCPT-UHFFFAOYSA-N 0 2 387.389 3.243 20 0 GGADLN Cc1nn(C)c(C)c1S(=O)(=O)Nc1cc(Br)c(F)cc1C ZINC000190383251 565527875 /nfs/dbraw/zinc/52/78/75/565527875.db2.gz ULKMWSACJPAGCO-UHFFFAOYSA-N 0 2 376.251 3.048 20 0 GGADLN O=S(=O)(Nc1cccnc1N1CCCC1)c1ccccc1Br ZINC000386005172 565546688 /nfs/dbraw/zinc/54/66/88/565546688.db2.gz OJEISVARXGUKST-UHFFFAOYSA-N 0 2 382.283 3.245 20 0 GGADLN CCn1cc(NS(=O)(=O)c2cc(Cl)c(Br)cc2F)cn1 ZINC000190723636 565554336 /nfs/dbraw/zinc/55/43/36/565554336.db2.gz NZUCJEFGQSAFCN-UHFFFAOYSA-N 0 2 382.642 3.259 20 0 GGADLN O=C([O-])C[N@H+](Cc1nc(-c2cccc(Br)c2)no1)C1CCCC1 ZINC000390326990 565556061 /nfs/dbraw/zinc/55/60/61/565556061.db2.gz RVAZFVBXSJLPNS-UHFFFAOYSA-N 0 2 380.242 3.328 20 0 GGADLN O=C([O-])C[N@@H+](Cc1nc(-c2cccc(Br)c2)no1)C1CCCC1 ZINC000390326990 565556062 /nfs/dbraw/zinc/55/60/62/565556062.db2.gz RVAZFVBXSJLPNS-UHFFFAOYSA-N 0 2 380.242 3.328 20 0 GGADLN CSc1ccc(S(=O)(=O)Nc2nnc([C@H]3CCCO3)o2)cc1Cl ZINC000278413166 565556857 /nfs/dbraw/zinc/55/68/57/565556857.db2.gz QHIIPDLJFMVMFL-SNVBAGLBSA-N 0 2 375.859 3.097 20 0 GGADLN CC(=O)N1CCc2cc(S(=O)(=O)Nc3nc(C4CCC4)cs3)ccc21 ZINC000278429155 565557836 /nfs/dbraw/zinc/55/78/36/565557836.db2.gz SWBNTLWAPXYGGX-UHFFFAOYSA-N 0 2 377.491 3.120 20 0 GGADLN Cc1cc(S(=O)(=O)Nc2nnc(CCOc3ccccc3)o2)sc1C ZINC000278440555 565558742 /nfs/dbraw/zinc/55/87/42/565558742.db2.gz VXDJIUOHIMGMFK-UHFFFAOYSA-N 0 2 379.463 3.170 20 0 GGADLN O=C(NC1CC1)c1cccc(S(=O)(=O)Nc2nc(C3CCC3)cs2)c1 ZINC000278448828 565559145 /nfs/dbraw/zinc/55/91/45/565559145.db2.gz XKNKXBITKYRSMS-UHFFFAOYSA-N 0 2 377.491 3.104 20 0 GGADLN CC(C)[N@@H+]1CCc2nc([N-]S(=O)(=O)Cc3c(F)cccc3F)sc2C1 ZINC000278502783 565562566 /nfs/dbraw/zinc/56/25/66/565562566.db2.gz ODXPRYLIUBQGJX-UHFFFAOYSA-N 0 2 387.477 3.130 20 0 GGADLN CC(C)[N@H+]1CCc2nc([N-]S(=O)(=O)Cc3c(F)cccc3F)sc2C1 ZINC000278502783 565562569 /nfs/dbraw/zinc/56/25/69/565562569.db2.gz ODXPRYLIUBQGJX-UHFFFAOYSA-N 0 2 387.477 3.130 20 0 GGADLN Cc1[nH]ncc1CCCNS(=O)(=O)c1ccc(Cl)cc1C(F)(F)F ZINC000392005061 565562768 /nfs/dbraw/zinc/56/27/68/565562768.db2.gz OUBDIWNBNOJECC-UHFFFAOYSA-N 0 2 381.807 3.301 20 0 GGADLN COC(C)(C)C[C@@H](C)NS(=O)(=O)c1c(F)cc(NC(C)=O)c(Cl)c1F ZINC000173522665 565563463 /nfs/dbraw/zinc/56/34/63/565563463.db2.gz CXMYDSHMGUMSIK-MRVPVSSYSA-N 0 2 398.859 3.059 20 0 GGADLN Cn1nc([C@H]2CCCO2)cc1NS(=O)(=O)c1cc(Cl)cc(Cl)c1 ZINC000278570466 565566137 /nfs/dbraw/zinc/56/61/37/565566137.db2.gz BRDPOYRWPIEUJH-CYBMUJFWSA-N 0 2 376.265 3.379 20 0 GGADLN CCOC(=O)c1csc(NS(=O)(=O)c2cc(Cl)c(OC)cc2C)n1 ZINC000278581544 565566856 /nfs/dbraw/zinc/56/68/56/565566856.db2.gz CUYOFICJENPIFQ-UHFFFAOYSA-N 0 2 390.870 3.091 20 0 GGADLN C[C@H](CNC(=O)N(C)Cc1nc(=O)c2sccc2[nH]1)Cc1cccs1 ZINC000173642145 565572909 /nfs/dbraw/zinc/57/29/09/565572909.db2.gz KZKAKSBCFUBFRZ-NSHDSACASA-N 0 2 376.507 3.066 20 0 GGADLN CC(C)c1ccccc1S(=O)(=O)Nc1nc2ccc(Br)cn2n1 ZINC000191025761 565577969 /nfs/dbraw/zinc/57/79/69/565577969.db2.gz PDKOMTRJPRNOAD-UHFFFAOYSA-N 0 2 395.282 3.416 20 0 GGADLN CSc1ccc(S(=O)(=O)Nc2cc([C@@H]3CCCO3)nn2C)cc1Cl ZINC000278837641 565580837 /nfs/dbraw/zinc/58/08/37/565580837.db2.gz KPSJOAPDFQBYMH-ZDUSSCGKSA-N 0 2 387.914 3.448 20 0 GGADLN Cn1nc([C@@H]2CCCO2)cc1NS(=O)(=O)c1cc(Cl)sc1Cl ZINC000278877481 565583033 /nfs/dbraw/zinc/58/30/33/565583033.db2.gz OFCVTJJTYAVKPQ-QMMMGPOBSA-N 0 2 382.294 3.441 20 0 GGADLN C[C@H]([NH2+]Cc1cc(Br)cc2c1OCC2)c1ncc(C(=O)[O-])s1 ZINC000314975831 565588855 /nfs/dbraw/zinc/58/88/55/565588855.db2.gz OIKUNGQCNKFMOD-QMMMGPOBSA-N 0 2 383.267 3.390 20 0 GGADLN CN(Cc1nccs1)C(=O)c1cccc(NS(=O)(=O)c2cccs2)c1 ZINC000173865253 565594259 /nfs/dbraw/zinc/59/42/59/565594259.db2.gz ZIICFUDBWXMWDT-UHFFFAOYSA-N 0 2 393.515 3.278 20 0 GGADLN O=S(=O)(Nc1cccc2cc(Br)cnc21)c1cncc(F)c1 ZINC000317487495 565594474 /nfs/dbraw/zinc/59/44/74/565594474.db2.gz AWDAVGBQYNFXQY-UHFFFAOYSA-N 0 2 382.214 3.332 20 0 GGADLN COc1ccc(S(=O)(=O)Nc2cc(C(C)(C)C)n[nH]2)cc1Br ZINC000317821053 565595945 /nfs/dbraw/zinc/59/59/45/565595945.db2.gz HXRVKKLIQGJFGU-UHFFFAOYSA-N 0 2 388.287 3.279 20 0 GGADLN COc1ccc(S(=O)(=O)Nc2cc(C(C)(C)C)[nH]n2)cc1Br ZINC000317821053 565595951 /nfs/dbraw/zinc/59/59/51/565595951.db2.gz HXRVKKLIQGJFGU-UHFFFAOYSA-N 0 2 388.287 3.279 20 0 GGADLN C[C@H]1CSCCN(C(=O)c2cccc(NS(=O)(=O)c3cccs3)c2)C1 ZINC000191322151 565596764 /nfs/dbraw/zinc/59/67/64/565596764.db2.gz OMPBUPRQKNWQRU-CYBMUJFWSA-N 0 2 396.559 3.374 20 0 GGADLN COC(=O)c1cccc(NS(=O)(=O)c2ccc(Br)cc2F)c1 ZINC000318575200 565597438 /nfs/dbraw/zinc/59/74/38/565597438.db2.gz KJLCSFFHADPAJD-UHFFFAOYSA-N 0 2 388.214 3.176 20 0 GGADLN CC1(C)CCCC[C@@H]1CC(=O)N1CCc2nc(NS(C)(=O)=O)sc2C1 ZINC000408194140 565598145 /nfs/dbraw/zinc/59/81/45/565598145.db2.gz GVYYATNBSOXUEZ-GFCCVEGCSA-N 0 2 385.555 3.006 20 0 GGADLN CC1(C)CCCC[C@H]1CC(=O)N1CCc2nc(NS(C)(=O)=O)sc2C1 ZINC000408194142 565598320 /nfs/dbraw/zinc/59/83/20/565598320.db2.gz GVYYATNBSOXUEZ-LBPRGKRZSA-N 0 2 385.555 3.006 20 0 GGADLN Cc1ccc(NC(=O)C[NH+]2CCC(CCC(=O)[O-])CC2)c(Br)c1 ZINC000321002857 565604081 /nfs/dbraw/zinc/60/40/81/565604081.db2.gz KXDZTMODERFQQB-UHFFFAOYSA-N 0 2 383.286 3.273 20 0 GGADLN CC(=O)Nc1cc(F)c(S(=O)(=O)Nc2nc(C)c(C)s2)c(F)c1Cl ZINC000173996387 565605291 /nfs/dbraw/zinc/60/52/91/565605291.db2.gz XKMULKXLAXCUFN-UHFFFAOYSA-N 0 2 395.840 3.451 20 0 GGADLN CC(=O)Nc1cc(F)c(S(=O)(=O)Nc2nc(C)cs2)c(F)c1Cl ZINC000173994808 565605515 /nfs/dbraw/zinc/60/55/15/565605515.db2.gz GTZCFWJAGBUWAK-UHFFFAOYSA-N 0 2 381.813 3.142 20 0 GGADLN CC(=O)Nc1cc(F)c(S(=O)(=O)Nc2ncc(C(C)C)s2)c(F)c1 ZINC000174011368 565606242 /nfs/dbraw/zinc/60/62/42/565606242.db2.gz PDXKFURXXMCJOV-UHFFFAOYSA-N 0 2 375.422 3.304 20 0 GGADLN CC(=O)N1CCCc2ccc(S(=O)(=O)Nc3ncc(C(C)C)s3)cc21 ZINC000174013614 565607041 /nfs/dbraw/zinc/60/70/41/565607041.db2.gz DNKRFUXPXQDTOA-UHFFFAOYSA-N 0 2 379.507 3.366 20 0 GGADLN COc1ccc(S(=O)(=O)Nc2ccnn2-c2ccc(Cl)cc2)cc1F ZINC000174030288 565607473 /nfs/dbraw/zinc/60/74/73/565607473.db2.gz MZKBBBCZITVCKB-UHFFFAOYSA-N 0 2 381.816 3.474 20 0 GGADLN COCc1cccc(S(=O)(=O)Nc2ccnn2-c2ccc(Cl)cc2)c1 ZINC000174030249 565608096 /nfs/dbraw/zinc/60/80/96/565608096.db2.gz LLIVEQDGQNLDBD-UHFFFAOYSA-N 0 2 377.853 3.473 20 0 GGADLN C[C@@H]1CC[N@H+](Cc2nc(-c3cccc(Br)c3)no2)[C@@H](C(=O)[O-])C1 ZINC000322779936 565610761 /nfs/dbraw/zinc/61/07/61/565610761.db2.gz MLDPKVINTHUPJK-ZWNOBZJWSA-N 0 2 380.242 3.184 20 0 GGADLN C[C@@H]1CC[N@@H+](Cc2nc(-c3cccc(Br)c3)no2)[C@@H](C(=O)[O-])C1 ZINC000322779936 565610765 /nfs/dbraw/zinc/61/07/65/565610765.db2.gz MLDPKVINTHUPJK-ZWNOBZJWSA-N 0 2 380.242 3.184 20 0 GGADLN Cc1cc(S(=O)(=O)[N-]c2ccc(C[NH+]3CCOCC3)cc2)sc1Cl ZINC000191552056 565612343 /nfs/dbraw/zinc/61/23/43/565612343.db2.gz IRKNHEJKQCQHNU-UHFFFAOYSA-N 0 2 386.926 3.343 20 0 GGADLN COC(=O)COc1cccc(NS(=O)(=O)c2cc(C)c(Cl)s2)c1 ZINC000323394754 565614191 /nfs/dbraw/zinc/61/41/91/565614191.db2.gz SKLOFWKNFAIVRR-UHFFFAOYSA-N 0 2 375.855 3.063 20 0 GGADLN Cc1[nH]ncc1CCCNS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl ZINC000324402166 565618233 /nfs/dbraw/zinc/61/82/33/565618233.db2.gz HREMCWREKRBAIO-UHFFFAOYSA-N 0 2 381.807 3.301 20 0 GGADLN Cc1nc(NS(=O)(=O)c2ccn(C)n2)sc1Cc1ccccc1Cl ZINC000409516212 565621531 /nfs/dbraw/zinc/62/15/31/565621531.db2.gz HHJBTZBBWNJQHZ-UHFFFAOYSA-N 0 2 382.898 3.230 20 0 GGADLN Cc1ccc(C(=O)Nc2nc(-c3ccc(Br)cc3F)n[nH]2)cn1 ZINC000409545193 565623489 /nfs/dbraw/zinc/62/34/89/565623489.db2.gz WIXIRFCQQAOVQQ-UHFFFAOYSA-N 0 2 376.189 3.329 20 0 GGADLN C[S@@](=O)c1ccc(NS(=O)(=O)c2ccc(Br)s2)cc1 ZINC000174260423 565624474 /nfs/dbraw/zinc/62/44/74/565624474.db2.gz BCMGOLUCWPQHSO-GOSISDBHSA-N 0 2 380.310 3.049 20 0 GGADLN O=C1CCc2cc(Br)c(S(=O)(=O)Nc3ccsc3)cc2N1 ZINC000174253843 565624542 /nfs/dbraw/zinc/62/45/42/565624542.db2.gz UFIWDPABKOEGMY-UHFFFAOYSA-N 0 2 387.280 3.196 20 0 GGADLN C[S@@](=O)c1ccc(NS(=O)(=O)c2cc(C(F)(F)F)ccc2F)cc1 ZINC000174259752 565624762 /nfs/dbraw/zinc/62/47/62/565624762.db2.gz XUPQESLODXZPSK-HSZRJFAPSA-N 0 2 381.372 3.383 20 0 GGADLN C[S@](=O)c1ccc(NS(=O)(=O)c2ccc(Br)s2)cc1 ZINC000174260436 565624862 /nfs/dbraw/zinc/62/48/62/565624862.db2.gz BCMGOLUCWPQHSO-SFHVURJKSA-N 0 2 380.310 3.049 20 0 GGADLN CCCCNc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1cnn(C)c1 ZINC000174266982 565626334 /nfs/dbraw/zinc/62/63/34/565626334.db2.gz OEXFFWGEQUVFGA-UHFFFAOYSA-N 0 2 376.404 3.452 20 0 GGADLN CC(=O)Nc1cc(F)c(S(=O)(=O)Nc2cccnc2C)c(F)c1Cl ZINC000174329088 565629146 /nfs/dbraw/zinc/62/91/46/565629146.db2.gz QWPAGSQJPNILEM-UHFFFAOYSA-N 0 2 375.784 3.081 20 0 GGADLN COC(=O)Cc1cccc(NC(=O)c2cc(Br)cc(Cl)c2O)n1 ZINC000191776469 565630649 /nfs/dbraw/zinc/63/06/49/565630649.db2.gz RZGRUOHRFRSCBA-UHFFFAOYSA-N 0 2 399.628 3.171 20 0 GGADLN Cc1cc(F)c(Br)cc1S(=O)(=O)Nc1noc(C(C)(C)C)n1 ZINC000191791351 565633265 /nfs/dbraw/zinc/63/32/65/565633265.db2.gz SMQRRMKMEFTSBO-UHFFFAOYSA-N 0 2 392.250 3.378 20 0 GGADLN CCc1cc(C2CC2)nc(NS(=O)(=O)c2ccccc2Br)n1 ZINC000191844223 565637104 /nfs/dbraw/zinc/63/71/04/565637104.db2.gz WWAMZURAAIKIQU-UHFFFAOYSA-N 0 2 382.283 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566902675 /nfs/dbraw/zinc/90/26/75/566902675.db2.gz PSHBNTMDTARDIQ-UHFFFAOYSA-N 0 2 377.647 3.307 20 0 GGADLN COC(=O)c1ccc(NS(=O)(=O)c2cccc(F)c2)c(OC(F)F)c1 ZINC000518949989 566910573 /nfs/dbraw/zinc/91/05/73/566910573.db2.gz DNZKWWNCXCIBEL-UHFFFAOYSA-N 0 2 375.324 3.015 20 0 GGADLN O=S(=O)(Nc1cnn(C(F)F)c1)c1cccc(Cl)c1Br ZINC000491584903 566911161 /nfs/dbraw/zinc/91/11/61/566911161.db2.gz YINZOQFIYQBNAO-UHFFFAOYSA-N 0 2 386.605 3.495 20 0 GGADLN CCc1c(NS(=O)(=O)c2csc(C(=O)OC)c2)cnn1CCC(C)C ZINC000491593679 566911381 /nfs/dbraw/zinc/91/13/81/566911381.db2.gz IFZNHXZMNSAVGF-UHFFFAOYSA-N 0 2 385.511 3.141 20 0 GGADLN COc1ncccc1NS(=O)(=O)c1cccc(Cl)c1Br ZINC000491594036 566911412 /nfs/dbraw/zinc/91/14/12/566911412.db2.gz MABQOVMNRUIXQH-UHFFFAOYSA-N 0 2 377.647 3.307 20 0 GGADLN O=S(=O)(Nc1cc(F)cc(F)c1)c1cc(Br)cc2c1OCC2 ZINC000680489182 566912371 /nfs/dbraw/zinc/91/23/71/566912371.db2.gz UWZSEZAFCCJGAZ-UHFFFAOYSA-N 0 2 390.205 3.463 20 0 GGADLN O=C(NCc1ccno1)c1ccc(NS(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000680511441 566915175 /nfs/dbraw/zinc/91/51/75/566915175.db2.gz XYWOWWQQLMXMMM-UHFFFAOYSA-N 0 2 397.865 3.120 20 0 GGADLN COC(=O)c1cc(F)cc(S(=O)(=O)Nc2cc(Cl)c(Cl)cn2)c1 ZINC000543858459 566917599 /nfs/dbraw/zinc/91/75/99/566917599.db2.gz ZYHDCAXTHVFZKV-UHFFFAOYSA-N 0 2 379.196 3.115 20 0 GGADLN CN(Cc1ccc(Br)cc1Cl)C(=O)N=c1nc2n([nH]1)CCCC2 ZINC000583068051 566918248 /nfs/dbraw/zinc/91/82/48/566918248.db2.gz MBXHYKKCUCPKMD-UHFFFAOYSA-N 0 2 398.692 3.116 20 0 GGADLN CCOC(=O)c1c(F)cccc1NS(=O)(=O)c1cnc2ccsc2c1 ZINC000611444427 566919033 /nfs/dbraw/zinc/91/90/33/566919033.db2.gz STWCCZRLBCMFPJ-UHFFFAOYSA-N 0 2 380.422 3.413 20 0 GGADLN COc1ccc(OC(F)F)c(NS(=O)(=O)C[C@@H](OC)C2CCCC2)c1 ZINC000656619871 566924341 /nfs/dbraw/zinc/92/43/41/566924341.db2.gz ZGITZLFHEXBMOP-OAHLLOKOSA-N 0 2 379.425 3.244 20 0 GGADLN CCCOc1ccc(Br)cc1S(=O)(=O)Nc1cnn(C)c1C ZINC000656624688 566925991 /nfs/dbraw/zinc/92/59/91/566925991.db2.gz SSYLKSLHORAPFE-UHFFFAOYSA-N 0 2 388.287 3.081 20 0 GGADLN CO[C@@H](CS(=O)(=O)Nc1ccc(Br)cc1O)C1CCCC1 ZINC000656625044 566926027 /nfs/dbraw/zinc/92/60/27/566926027.db2.gz VAFVHGSZFNZKGG-AWEZNQCLSA-N 0 2 378.288 3.102 20 0 GGADLN CO[C@H](CS(=O)(=O)Nc1ccc(Br)cc1O)C1CCCC1 ZINC000656625045 566926047 /nfs/dbraw/zinc/92/60/47/566926047.db2.gz VAFVHGSZFNZKGG-CQSZACIVSA-N 0 2 378.288 3.102 20 0 GGADLN CSc1ccc(C)c(NS(=O)(=O)c2cc3c(s2)CCN(C(C)=O)C3)c1 ZINC000656627124 566926597 /nfs/dbraw/zinc/92/65/97/566926597.db2.gz SMFPAJWBTMHVFO-UHFFFAOYSA-N 0 2 396.559 3.484 20 0 GGADLN CSc1cc(Cl)ccc1NS(=O)(=O)c1cnn(C2CCOCC2)c1 ZINC000656632938 566927957 /nfs/dbraw/zinc/92/79/57/566927957.db2.gz NENUGKANHKMFPD-UHFFFAOYSA-N 0 2 387.914 3.411 20 0 GGADLN CCOc1ccc(Br)cc1-c1noc(C(=O)Nc2cc(C)on2)n1 ZINC000680714153 566927982 /nfs/dbraw/zinc/92/79/82/566927982.db2.gz VQYLHTNBNPPXAV-UHFFFAOYSA-N 0 2 393.197 3.447 20 0 GGADLN CSc1cc(C)ccc1NS(=O)(=O)c1cc2c(s1)CCN(C(C)=O)C2 ZINC000656631126 566928287 /nfs/dbraw/zinc/92/82/87/566928287.db2.gz HBRMGXCOTXKMNT-UHFFFAOYSA-N 0 2 396.559 3.484 20 0 GGADLN O=C(N=c1ccc(C2CC2)n[nH]1)[C@@H]1C[C@]12CCc1cc(Br)ccc12 ZINC000543999008 566928331 /nfs/dbraw/zinc/92/83/31/566928331.db2.gz SKSPUAVXRCTEQG-KXBFYZLASA-N 0 2 384.277 3.381 20 0 GGADLN O=S(=O)(CC[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)c1ccccc1 ZINC000583199030 566929193 /nfs/dbraw/zinc/92/91/93/566929193.db2.gz VKQPHNCBFXTCHW-QGZVFWFLSA-N 0 2 378.563 3.024 20 0 GGADLN C[C@H](Cc1ccc(F)c(Br)c1)C(=O)N=c1ccc(C2CC2)n[nH]1 ZINC000429530624 566935582 /nfs/dbraw/zinc/93/55/82/566935582.db2.gz VFGZTKLMVCKROJ-SNVBAGLBSA-N 0 2 378.245 3.495 20 0 GGADLN CC(=O)Nc1cc(F)c(S(=O)(=O)NC[C@H]2CCCCS2)c(F)c1Cl ZINC000544099994 566937451 /nfs/dbraw/zinc/93/74/51/566937451.db2.gz NLSROBPYQYBAGX-SECBINFHSA-N 0 2 398.884 3.141 20 0 GGADLN Cc1ncc(S(=O)(=O)Nc2ccc(-c3nc(C4CC4)no3)cc2C)s1 ZINC000544098905 566937839 /nfs/dbraw/zinc/93/78/39/566937839.db2.gz MYZHSPKBZYVXAC-UHFFFAOYSA-N 0 2 376.463 3.488 20 0 GGADLN C[C@@]1(NC(=O)N=c2ccc(-c3ccc(Br)s3)n[nH]2)CCCOC1 ZINC000564032283 566939374 /nfs/dbraw/zinc/93/93/74/566939374.db2.gz CLGVJBAIMNCGIF-OAHLLOKOSA-N 0 2 397.298 3.080 20 0 GGADLN O=S(=O)(CCc1ccc(F)cc1)Nc1nc(CN2CCCCC2)cs1 ZINC000656729425 566939429 /nfs/dbraw/zinc/93/94/29/566939429.db2.gz VUFHOLXCVRTKHR-UHFFFAOYSA-N 0 2 383.514 3.253 20 0 GGADLN CCCOc1ccc(Br)cc1S(=O)(=O)Nc1cc(C)nn1C ZINC000656729058 566939584 /nfs/dbraw/zinc/93/95/84/566939584.db2.gz SLWAPWUQLYRJAE-UHFFFAOYSA-N 0 2 388.287 3.081 20 0 GGADLN O=S(=O)(NCCCC(F)(F)F)c1cc(F)c(Br)cc1F ZINC000583335984 566941580 /nfs/dbraw/zinc/94/15/80/566941580.db2.gz OAGHYCWKJKNRNF-UHFFFAOYSA-N 0 2 382.148 3.348 20 0 GGADLN NC(=O)[C@H]1CCC[C@@H](C(=O)Nc2nc(-c3cc(Cl)ccc3Cl)n[nH]2)C1 ZINC000471287108 566943010 /nfs/dbraw/zinc/94/30/10/566943010.db2.gz HSBGVOLVVFDKAV-DTWKUNHWSA-N 0 2 382.251 3.009 20 0 GGADLN CN(C)c1cccc(S(=O)(=O)Nc2nc(-c3ccccc3Cl)ns2)c1 ZINC000493107987 566943328 /nfs/dbraw/zinc/94/33/28/566943328.db2.gz UKWJNYSCGHJTQH-UHFFFAOYSA-N 0 2 394.909 3.147 20 0 GGADLN NC(=O)[C@@H]1CCC[C@@H](C(=O)Nc2nc(-c3cc(Cl)ccc3Cl)n[nH]2)C1 ZINC000471287110 566943487 /nfs/dbraw/zinc/94/34/87/566943487.db2.gz HSBGVOLVVFDKAV-RKDXNWHRSA-N 0 2 382.251 3.009 20 0 GGADLN COCc1cccc2sc(NS(=O)(=O)c3cccc(N(C)C)c3)nc21 ZINC000493135336 566943579 /nfs/dbraw/zinc/94/35/79/566943579.db2.gz VUZYJGSDXBEXGR-UHFFFAOYSA-N 0 2 377.491 3.310 20 0 GGADLN CCn1ncc(C)c1NS(=O)(=O)c1cc(Cl)ccc1Br ZINC000656741022 566944294 /nfs/dbraw/zinc/94/42/94/566944294.db2.gz BFEFBEZPCIOVKM-UHFFFAOYSA-N 0 2 378.679 3.428 20 0 GGADLN O=S(=O)(N[C@@H](C1CC1)C(F)(F)F)c1cc(Br)c(F)cc1F ZINC000519534003 566944418 /nfs/dbraw/zinc/94/44/18/566944418.db2.gz XLTQGWKHTZALCZ-JTQLQIEISA-N 0 2 394.159 3.347 20 0 GGADLN CCc1cc(Br)c(C)nc1NS(=O)(=O)c1cccc2c1OCO2 ZINC000656738584 566945105 /nfs/dbraw/zinc/94/51/05/566945105.db2.gz ZUISUMSGVMJZBA-UHFFFAOYSA-N 0 2 399.266 3.244 20 0 GGADLN COCn1nc(C)c(S(=O)(=O)Nc2cc(C)ccc2C(F)(F)F)c1C ZINC000656741908 566946721 /nfs/dbraw/zinc/94/67/21/566946721.db2.gz RRPKGSMQOXMAKH-UHFFFAOYSA-N 0 2 377.388 3.232 20 0 GGADLN CCOc1ccc(Br)cc1S(=O)(=O)Nc1c(C)cnn1CC ZINC000656742038 566946819 /nfs/dbraw/zinc/94/68/19/566946819.db2.gz UNWDDRPYSBXVQA-UHFFFAOYSA-N 0 2 388.287 3.173 20 0 GGADLN C[C@H](c1nc(-c2cccs2)no1)[N@@H+]1C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C1 ZINC000656756867 566948014 /nfs/dbraw/zinc/94/80/14/566948014.db2.gz ITCOQOAPTBHPMR-BBBLOLIVSA-N 0 2 375.372 3.444 20 0 GGADLN C[C@H](c1nc(-c2cccs2)no1)[N@H+]1C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C1 ZINC000656756867 566948019 /nfs/dbraw/zinc/94/80/19/566948019.db2.gz ITCOQOAPTBHPMR-BBBLOLIVSA-N 0 2 375.372 3.444 20 0 GGADLN CCSc1n[n-]c(=NC(=O)N2CC[NH+](Cc3ccc(Cl)cc3)CC2)s1 ZINC000519561686 566948267 /nfs/dbraw/zinc/94/82/67/566948267.db2.gz IUGZWABJSGPNEO-UHFFFAOYSA-N 0 2 397.957 3.075 20 0 GGADLN COC(=O)c1sc(NS(=O)(=O)c2ccc(OCC(F)F)cc2)cc1C ZINC000612005564 566948228 /nfs/dbraw/zinc/94/82/28/566948228.db2.gz MRCQFYBEISQPSR-UHFFFAOYSA-N 0 2 391.417 3.288 20 0 GGADLN COC(=O)c1csc(NS(=O)(=O)c2ccc(OCC(F)F)cc2)c1C ZINC000612006047 566948504 /nfs/dbraw/zinc/94/85/04/566948504.db2.gz GUAGFZSLIJGPGD-UHFFFAOYSA-N 0 2 391.417 3.288 20 0 GGADLN CCc1nnnn1-c1ccccc1NS(=O)(=O)c1ccc(Cl)cc1Cl ZINC000564128729 566948518 /nfs/dbraw/zinc/94/85/18/566948518.db2.gz GHDFYHUMHKNVDM-UHFFFAOYSA-N 0 2 398.275 3.332 20 0 GGADLN CCOc1ccc(Br)cc1S(=O)(=O)Nc1nc(C)cs1 ZINC000612038242 566949513 /nfs/dbraw/zinc/94/95/13/566949513.db2.gz OECQWJJWOZPAQD-UHFFFAOYSA-N 0 2 377.285 3.414 20 0 GGADLN CCOC(=O)C(C)(C)c1csc(NS(=O)(=O)c2cccc(F)c2C)n1 ZINC000564143545 566949854 /nfs/dbraw/zinc/94/98/54/566949854.db2.gz HJRDVIMGLIQUQV-UHFFFAOYSA-N 0 2 386.470 3.232 20 0 GGADLN CC(=O)Nc1ccc(S(=O)(=O)Nc2cc(F)cc(Cl)c2O)c(F)c1 ZINC000681131980 566951893 /nfs/dbraw/zinc/95/18/93/566951893.db2.gz YYBJUHSTWWTBAD-UHFFFAOYSA-N 0 2 376.768 3.083 20 0 GGADLN Cc1ccc(OCc2nc(C[N@@H+]3CCSC[C@@H]3CC(=O)[O-])cs2)cc1 ZINC000583445871 566952391 /nfs/dbraw/zinc/95/23/91/566952391.db2.gz DXRWEEWGXYYVJQ-HNNXBMFYSA-N 0 2 378.519 3.423 20 0 GGADLN Cc1ccc(OCc2nc(C[N@H+]3CCSC[C@@H]3CC(=O)[O-])cs2)cc1 ZINC000583445871 566952397 /nfs/dbraw/zinc/95/23/97/566952397.db2.gz DXRWEEWGXYYVJQ-HNNXBMFYSA-N 0 2 378.519 3.423 20 0 GGADLN CC[C@@H](NC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1O)C(F)F ZINC000452239835 566953812 /nfs/dbraw/zinc/95/38/12/566953812.db2.gz DDEMFUJTKQRICH-LLVKDONJSA-N 0 2 390.433 3.028 20 0 GGADLN C[C@@H]1[C@@H](C)[C@H](C)CN1C(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000564189299 566953796 /nfs/dbraw/zinc/95/37/96/566953796.db2.gz RWMLHVGKVVFQFH-FRRDWIJNSA-N 0 2 379.507 3.060 20 0 GGADLN C[C@@H]1CC[C@H](CNC(=O)N=c2ccc(-c3ccc(Br)s3)n[nH]2)O1 ZINC000583483486 566954104 /nfs/dbraw/zinc/95/41/04/566954104.db2.gz WRXTYRZBJRTYPA-NXEZZACHSA-N 0 2 397.298 3.079 20 0 GGADLN COc1ccc(OC)c(S(=O)(=O)Nc2nnc(-c3ccsc3)s2)c1 ZINC000471503792 566955785 /nfs/dbraw/zinc/95/57/85/566955785.db2.gz IVKUHNGLELSLEX-UHFFFAOYSA-N 0 2 383.476 3.085 20 0 GGADLN O=S(=O)(Nc1nnc(-c2ccco2)s1)c1ccc(Br)s1 ZINC000471494414 566955929 /nfs/dbraw/zinc/95/59/29/566955929.db2.gz BVOXSOJATZWXFC-UHFFFAOYSA-N 0 2 392.281 3.423 20 0 GGADLN O=S(=O)(Nc1nnc(-c2ccco2)s1)c1cccc(OC(F)(F)F)c1 ZINC000471499099 566956312 /nfs/dbraw/zinc/95/63/12/566956312.db2.gz IPHCRCKYPUMLMM-UHFFFAOYSA-N 0 2 391.352 3.498 20 0 GGADLN O=C(c1cc(F)cc(Br)c1O)N1CCC2(CCC(O)CC2)CC1 ZINC000452258414 566957170 /nfs/dbraw/zinc/95/71/70/566957170.db2.gz LAEPNEVYQKPBLI-UHFFFAOYSA-N 0 2 386.261 3.451 20 0 GGADLN Cc1c(NC(=O)c2cc(F)cc(Br)c2O)cnn1C1CCOCC1 ZINC000452260680 566957327 /nfs/dbraw/zinc/95/73/27/566957327.db2.gz SJCRQCSAGQVEEL-UHFFFAOYSA-N 0 2 398.232 3.403 20 0 GGADLN COC(=O)[C@H](NS(=O)(=O)c1ccc(Cl)cc1Cl)c1cccs1 ZINC000429873246 566961128 /nfs/dbraw/zinc/96/11/28/566961128.db2.gz XZACSMULFBGESQ-GFCCVEGCSA-N 0 2 380.274 3.248 20 0 GGADLN COC(=O)c1cc(S(=O)(=O)Nc2ccc(Cl)cc2-n2cccn2)cs1 ZINC000471573480 566961210 /nfs/dbraw/zinc/96/12/10/566961210.db2.gz IUWMYUBLKRMXKU-UHFFFAOYSA-N 0 2 397.865 3.175 20 0 GGADLN 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Cc1ncc(S(=O)(=O)Nc2cccc(-n3cc(C(F)(F)F)cn3)c2)s1 ZINC000479539169 567543339 /nfs/dbraw/zinc/54/33/39/567543339.db2.gz DCEVIRMLTNVCNV-UHFFFAOYSA-N 0 2 388.396 3.457 20 0 GGADLN COC(=O)c1csc(S(=O)(=O)Nc2cnn(-c3ccc(Cl)cc3)c2)c1 ZINC000479546911 567543398 /nfs/dbraw/zinc/54/33/98/567543398.db2.gz REBOBTNAZOEKHL-UHFFFAOYSA-N 0 2 397.865 3.175 20 0 GGADLN Cc1cc(Br)c(S(=O)(=O)Nc2ccc([S@@](C)=O)cc2)s1 ZINC000438767194 567543520 /nfs/dbraw/zinc/54/35/20/567543520.db2.gz VCRHUWFVWWKZNV-LJQANCHMSA-N 0 2 394.337 3.357 20 0 GGADLN COC(=O)c1csc(S(=O)(=O)Nc2cccc(CC(F)(F)F)c2)c1 ZINC000438765204 567543718 /nfs/dbraw/zinc/54/37/18/567543718.db2.gz IDRRKOYIBUMYCT-UHFFFAOYSA-N 0 2 379.381 3.440 20 0 GGADLN CCc1cccc(Cc2cnc(NS(=O)(=O)c3c(C)cnn3C)s2)c1 ZINC000551940443 567544843 /nfs/dbraw/zinc/54/48/43/567544843.db2.gz CBUVXHGHVWSNBI-UHFFFAOYSA-N 0 2 376.507 3.139 20 0 GGADLN CCCOc1ccccc1NS(=O)(=O)c1cc2oc(=O)[nH]c2cc1Cl ZINC000438784866 567545068 /nfs/dbraw/zinc/54/50/68/567545068.db2.gz 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Cc1cnn(C)c1S(=O)(=O)Nc1ncc(Cc2ccc(C)c(F)c2)s1 ZINC000552022477 567550255 /nfs/dbraw/zinc/55/02/55/567550255.db2.gz SVRKXACQDUPTRI-UHFFFAOYSA-N 0 2 380.470 3.024 20 0 GGADLN O=S(=O)(Nc1cc2n(n1)CCCC2)c1ccc(OC(F)F)c(Cl)c1 ZINC000552028573 567551408 /nfs/dbraw/zinc/55/14/08/567551408.db2.gz VGHFGRZIGFVMOA-UHFFFAOYSA-N 0 2 377.800 3.275 20 0 GGADLN Cc1nn(C(C)C)c(C)c1S(=O)(=O)Nc1nc(C2CCOCC2)cs1 ZINC000552036224 567551607 /nfs/dbraw/zinc/55/16/07/567551607.db2.gz GIWBHMCCAXBTNQ-UHFFFAOYSA-N 0 2 384.527 3.232 20 0 GGADLN CCN(CC)C(=O)CCCNC(=O)c1cc(Cl)cc(Br)c1O ZINC000438895195 567552121 /nfs/dbraw/zinc/55/21/21/567552121.db2.gz MGFUGEOGDDTOHR-UHFFFAOYSA-N 0 2 391.693 3.187 20 0 GGADLN O=C(Nc1cc[nH]n1)c1ccc(NS(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000620977313 567554026 /nfs/dbraw/zinc/55/40/26/567554026.db2.gz IIDAELBMDYBGQQ-UHFFFAOYSA-N 0 2 382.854 3.178 20 0 GGADLN CN(C[C@H]1CC1(C)C)C(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000621049420 567556601 /nfs/dbraw/zinc/55/66/01/567556601.db2.gz IUCKVTNHHJNMNA-CYBMUJFWSA-N 0 2 379.507 3.062 20 0 GGADLN CN(C[C@@H]1CC1(C)C)C(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000621049421 567556754 /nfs/dbraw/zinc/55/67/54/567556754.db2.gz IUCKVTNHHJNMNA-ZDUSSCGKSA-N 0 2 379.507 3.062 20 0 GGADLN CS(=O)(=O)c1ccccc1NS(=O)(=O)c1ccc(Cl)cc1Cl ZINC000438992344 567560371 /nfs/dbraw/zinc/56/03/71/567560371.db2.gz QYIYKSKRBPSROT-UHFFFAOYSA-N 0 2 380.274 3.198 20 0 GGADLN COc1cc(NS(=O)(=O)c2ccc(C(C)(C)C)s2)ccc1NC(N)=O ZINC000439042406 567562045 /nfs/dbraw/zinc/56/20/45/567562045.db2.gz KJTUOGFCLFEQIY-UHFFFAOYSA-N 0 2 383.495 3.346 20 0 GGADLN Cn1nnnc1-c1cccc(NS(=O)(=O)c2ccc(C(C)(C)C)s2)c1 ZINC000439058560 567563305 /nfs/dbraw/zinc/56/33/05/567563305.db2.gz UWKUTDDOLMROCZ-UHFFFAOYSA-N 0 2 377.495 3.037 20 0 GGADLN COC(=O)COc1ccc(NS(=O)(=O)c2ccc(C(C)(C)C)s2)cc1 ZINC000439046795 567563873 /nfs/dbraw/zinc/56/38/73/567563873.db2.gz ZQCRMBGKAHDPHN-UHFFFAOYSA-N 0 2 383.491 3.398 20 0 GGADLN Cc1cscc1NS(=O)(=O)c1cc2[nH]c(=O)[nH]c2cc1Br ZINC000439050873 567563984 /nfs/dbraw/zinc/56/39/84/567563984.db2.gz OMIOUGQGMVORDB-UHFFFAOYSA-N 0 2 388.268 3.202 20 0 GGADLN O=S(=O)(Nc1cnn(CC2CC2)c1)c1cccc(OC(F)(F)F)c1F ZINC000644616381 567564594 /nfs/dbraw/zinc/56/45/94/567564594.db2.gz WVSNPFYGISCEKE-UHFFFAOYSA-N 0 2 379.335 3.132 20 0 GGADLN COC(=O)c1cc(NC(=O)c2cc(Br)cc(Cl)c2O)cn1C ZINC000439114832 567566657 /nfs/dbraw/zinc/56/66/57/567566657.db2.gz HPHBLCAKSFGQPQ-UHFFFAOYSA-N 0 2 387.617 3.186 20 0 GGADLN O=S(=O)(Nc1nc(C(F)(F)F)c[nH]1)c1ccc(Br)c(F)c1 ZINC000571490247 567566690 /nfs/dbraw/zinc/56/66/90/567566690.db2.gz YAIDUBHLKCLHPT-UHFFFAOYSA-N 0 2 388.140 3.131 20 0 GGADLN O=C(COCc1cccnc1)Nc1nc(-c2cc(Cl)ccc2Cl)n[nH]1 ZINC000505267635 567567045 /nfs/dbraw/zinc/56/70/45/567567045.db2.gz ZUGSXBSTPYDRRS-UHFFFAOYSA-N 0 2 378.219 3.329 20 0 GGADLN CC(C)OCc1ccc(NS(=O)(=O)c2cc(C(F)(F)F)nn2C)cc1 ZINC000530133537 567571311 /nfs/dbraw/zinc/57/13/11/567571311.db2.gz GXKZEJURSUVNTP-UHFFFAOYSA-N 0 2 377.388 3.165 20 0 GGADLN COc1cc(Cl)c(C)cc1NS(=O)(=O)c1cc(C(F)(F)F)nn1C ZINC000530133131 567571381 /nfs/dbraw/zinc/57/13/81/567571381.db2.gz DUUOHZXICDXCLK-UHFFFAOYSA-N 0 2 383.779 3.210 20 0 GGADLN CNC(=O)c1ccc(NS(=O)(=O)c2ccc(C(C)(C)C)s2)c(OC)c1 ZINC000530143316 567573010 /nfs/dbraw/zinc/57/30/10/567573010.db2.gz KPSBTOWKZHLYIO-UHFFFAOYSA-N 0 2 382.507 3.215 20 0 GGADLN Cn1nc(C(F)(F)F)cc1S(=O)(=O)Nc1ccccc1OCC1CC1 ZINC000530135850 567573117 /nfs/dbraw/zinc/57/31/17/567573117.db2.gz ZFKBZRWFVWMZRJ-UHFFFAOYSA-N 0 2 375.372 3.029 20 0 GGADLN O=S(=O)(Nc1nnc(CC(F)(F)F)s1)c1ccc2c(c1)CCCC2 ZINC000479986561 567573633 /nfs/dbraw/zinc/57/36/33/567573633.db2.gz IWNPDLCVIRTBBR-UHFFFAOYSA-N 0 2 377.413 3.323 20 0 GGADLN O=C(Cc1ccccc1O)Nc1nc(-c2ccc(Br)cc2F)n[nH]1 ZINC000439243395 567574936 /nfs/dbraw/zinc/57/49/36/567574936.db2.gz DUFUFRRZNXXXTB-UHFFFAOYSA-N 0 2 391.200 3.260 20 0 GGADLN CCc1nnsc1C(=O)Nc1nc(-c2ccc(Br)cc2F)n[nH]1 ZINC000439244176 567575056 /nfs/dbraw/zinc/57/50/56/567575056.db2.gz GOXHQMCEDNNDCW-UHFFFAOYSA-N 0 2 397.233 3.040 20 0 GGADLN O=C(COC1CCCC1)Nc1nc(-c2ccc(Br)cc2F)n[nH]1 ZINC000439249745 567575786 /nfs/dbraw/zinc/57/57/86/567575786.db2.gz SPKDFHWEMKZTSS-UHFFFAOYSA-N 0 2 383.221 3.271 20 0 GGADLN O=C(N=c1nc(-c2ccsc2)[nH]s1)NC[C@H](CO)c1ccccc1Cl ZINC000480020253 567575941 /nfs/dbraw/zinc/57/59/41/567575941.db2.gz NXUMANATMZSMIJ-LLVKDONJSA-N 0 2 394.909 3.240 20 0 GGADLN Cn1nc(C(F)(F)F)cc1S(=O)(=O)Nc1nc2c(s1)CCCCCC2 ZINC000530153843 567576078 /nfs/dbraw/zinc/57/60/78/567576078.db2.gz QBRTUDTZRZDHDJ-UHFFFAOYSA-N 0 2 394.444 3.355 20 0 GGADLN CC[C@@H]1CCc2nc(NS(=O)(=O)c3cc(C(F)(F)F)nn3C)sc2C1 ZINC000530150964 567576096 /nfs/dbraw/zinc/57/60/96/567576096.db2.gz BDMPQMHWNYEXOI-MRVPVSSYSA-N 0 2 394.444 3.211 20 0 GGADLN O=S(=O)(Nc1nnc(CC(F)(F)F)s1)c1cnc2ccsc2c1 ZINC000480023066 567576356 /nfs/dbraw/zinc/57/63/56/567576356.db2.gz XBIFUOKTNRPIKW-UHFFFAOYSA-N 0 2 380.398 3.053 20 0 GGADLN COc1cc(C)c(Br)cc1S(=O)(=O)Nc1nccc(C2CC2)n1 ZINC000530157123 567577547 /nfs/dbraw/zinc/57/75/47/567577547.db2.gz MGOGCWYTGBHWGH-UHFFFAOYSA-N 0 2 398.282 3.234 20 0 GGADLN O=C(N=c1nc(-c2ccccc2Cl)[nH]s1)N1CCOC[C@H]1CC(F)F ZINC000480077448 567579047 /nfs/dbraw/zinc/57/90/47/567579047.db2.gz KPKSNLNXDISMMG-SECBINFHSA-N 0 2 388.827 3.168 20 0 GGADLN COc1cc(Br)c(C[N@@H+]2CCc3occc3[C@@H]2C(=O)[O-])cc1OC ZINC000530170510 567579719 /nfs/dbraw/zinc/57/97/19/567579719.db2.gz SRZUYYRWFBQUQQ-MRXNPFEDSA-N 0 2 396.237 3.243 20 0 GGADLN COc1cc(Br)c(C[N@H+]2CCc3occc3[C@@H]2C(=O)[O-])cc1OC ZINC000530170510 567579724 /nfs/dbraw/zinc/57/97/24/567579724.db2.gz SRZUYYRWFBQUQQ-MRXNPFEDSA-N 0 2 396.237 3.243 20 0 GGADLN O=C(Nc1nc(-c2c(F)cccc2F)n[nH]1)c1ncccc1Br ZINC000480119212 567581629 /nfs/dbraw/zinc/58/16/29/567581629.db2.gz XMBMYDHOSNQAHP-UHFFFAOYSA-N 0 2 380.152 3.160 20 0 GGADLN COC(=O)c1cc(S(=O)(=O)Nc2cc(Cl)c(Cl)cc2OC)c(C)o1 ZINC000480189379 567585807 /nfs/dbraw/zinc/58/58/07/567585807.db2.gz IQLLKFQUXSZTTM-UHFFFAOYSA-N 0 2 394.232 3.491 20 0 GGADLN CCCCn1ncc(NS(=O)(=O)c2ccc(C(=O)OC)s2)c1C(C)C ZINC000480203217 567587520 /nfs/dbraw/zinc/58/75/20/567587520.db2.gz USXKDBDUWKAOJM-UHFFFAOYSA-N 0 2 385.511 3.456 20 0 GGADLN COC(=O)c1cc(NS(=O)(=O)c2ccc(F)cc2F)cc(Cl)c1F ZINC000480211103 567588714 /nfs/dbraw/zinc/58/87/14/567588714.db2.gz SSNYBVMQWFTESJ-UHFFFAOYSA-N 0 2 379.743 3.345 20 0 GGADLN CCOC(=O)c1ccsc1NS(=O)(=O)c1ccc(NC(=O)CC)cc1 ZINC000480208215 567589034 /nfs/dbraw/zinc/58/90/34/567589034.db2.gz WCUGFBVPRDFQJI-UHFFFAOYSA-N 0 2 382.463 3.074 20 0 GGADLN COc1ccc(S(=O)(=O)Nc2ccc(Br)c(OC)c2)c(F)c1 ZINC000480207418 567589289 /nfs/dbraw/zinc/58/92/89/567589289.db2.gz DHMLZQQQHVTIRX-UHFFFAOYSA-N 0 2 390.230 3.406 20 0 GGADLN Cc1noc(C23CC(C2)CN3C(=O)c2cc(Br)cc(Cl)c2O)n1 ZINC000530275474 567589367 /nfs/dbraw/zinc/58/93/67/567589367.db2.gz UHODFQLFEQYBNA-UHFFFAOYSA-N 0 2 398.644 3.261 20 0 GGADLN O=C1NCCCN1c1cc(NS(=O)(=O)c2ccc(Cl)s2)ccc1F ZINC000571798648 567589704 /nfs/dbraw/zinc/58/97/04/567589704.db2.gz VMHZCCZUZDHFAR-UHFFFAOYSA-N 0 2 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IYEBUZVLYXATSQ-ZDUSSCGKSA-N 0 2 379.092 3.264 20 0 GGADLN Clc1cc(Cl)cc(-c2n[n-]c(=NC[C@@H]3C[N@@H+](C4CC4)CCO3)s2)c1 ZINC000444072823 567789759 /nfs/dbraw/zinc/78/97/59/567789759.db2.gz FVEFPEPPSLPINJ-CQSZACIVSA-N 0 2 385.320 3.209 20 0 GGADLN Clc1cc(Cl)cc(-c2n[n-]c(=NC[C@@H]3C[N@H+](C4CC4)CCO3)s2)c1 ZINC000444072823 567789762 /nfs/dbraw/zinc/78/97/62/567789762.db2.gz FVEFPEPPSLPINJ-CQSZACIVSA-N 0 2 385.320 3.209 20 0 GGADLN COc1ccc(Br)cc1[C@@H]([NH2+]Cc1ccnn1CC(C)C)C(=O)[O-] ZINC000647645988 567794615 /nfs/dbraw/zinc/79/46/15/567794615.db2.gz RNGUGWHJCJRMNX-MRXNPFEDSA-N 0 2 396.285 3.226 20 0 GGADLN Cc1c2cc(F)ccc2oc1S(=O)(=O)Nc1nc2cc(Cl)ccn2n1 ZINC000574733493 567794537 /nfs/dbraw/zinc/79/45/37/567794537.db2.gz ZQBQKGIGAFNIBE-UHFFFAOYSA-N 0 2 380.788 3.377 20 0 GGADLN COc1nn(C)cc1NCc1cc(Br)c(O)c(Br)c1 ZINC000668047763 567794773 /nfs/dbraw/zinc/79/47/73/567794773.db2.gz LCPVHHCWTBKNMZ-UHFFFAOYSA-N 0 2 391.063 3.271 20 0 GGADLN Oc1c(Br)cc(C[N@H+](C2CC2)C2COC2)cc1Br ZINC000668200496 567800651 /nfs/dbraw/zinc/80/06/51/567800651.db2.gz ZJWLJZPMGYIYJO-UHFFFAOYSA-N 0 2 377.076 3.280 20 0 GGADLN Oc1c(Br)cc(CN(C2CC2)C2COC2)cc1Br ZINC000668200496 567800654 /nfs/dbraw/zinc/80/06/54/567800654.db2.gz ZJWLJZPMGYIYJO-UHFFFAOYSA-N 0 2 377.076 3.280 20 0 GGADLN [O-]c1c(Br)cc(C[N@H+](C2CC2)C2COC2)cc1Br ZINC000668200496 567800656 /nfs/dbraw/zinc/80/06/56/567800656.db2.gz ZJWLJZPMGYIYJO-UHFFFAOYSA-N 0 2 377.076 3.280 20 0 GGADLN CC(=O)Nc1cc(F)c(S(=O)(=O)N[C@H](C2CC2)C2CCC2)c(F)c1Cl ZINC000668228077 567802068 /nfs/dbraw/zinc/80/20/68/567802068.db2.gz OVQKSELDLSFEAL-HNNXBMFYSA-N 0 2 392.855 3.434 20 0 GGADLN C[C@@H]1C[C@H](O)CN(Cc2cc(Br)c(O)c(Br)c2)C1 ZINC000668228313 567802384 /nfs/dbraw/zinc/80/23/84/567802384.db2.gz FUKGDYRKYVQUEK-SCZZXKLOSA-N 0 2 379.092 3.120 20 0 GGADLN Oc1c(Br)cc(CN2CCO[C@@H](CF)C2)cc1Br ZINC000668237243 567802508 /nfs/dbraw/zinc/80/25/08/567802508.db2.gz IVPGKVVDYHIBKG-VIFPVBQESA-N 0 2 383.055 3.088 20 0 GGADLN CC(=O)N1CCCc2ccc(S(=O)(=O)Nc3scnc3C3CC3)cc21 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O=C(NN1C(=O)NC2(CCCCC2)C1=O)c1ccc(-c2ccccc2Cl)o1 ZINC000008278322 570370883 /nfs/dbraw/zinc/37/08/83/570370883.db2.gz OZUVTSRXTABPBO-UHFFFAOYSA-N 0 2 387.823 3.500 20 0 GGADLN CCOc1cc2c(cc1NS(=O)(=O)c1cc(OC)ccc1OC)O[C@H](C)C2 ZINC000012560897 570865277 /nfs/dbraw/zinc/86/52/77/570865277.db2.gz IVEAGIPLCADKDJ-GFCCVEGCSA-N 0 2 393.461 3.227 20 0 GGADLN CCn1c(=O)c2ccc(C(=O)N(C)[C@H]3CCc4ccccc43)cc2[nH]c1=S ZINC000102832875 570866385 /nfs/dbraw/zinc/86/63/85/570866385.db2.gz PYAVHSNMDOJCKL-SFHVURJKSA-N 0 2 379.485 3.465 20 0 GGADLN O=C(NCc1coc(-c2cccs2)n1)N1CC[NH+](Cc2ccsc2)CC1 ZINC000012696643 570964837 /nfs/dbraw/zinc/96/48/37/570964837.db2.gz XEMNYWDWVJOIJN-UHFFFAOYSA-N 0 2 388.518 3.492 20 0 GGADLN C[C@H](OC(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1)c1cccnc1 ZINC000084661162 571029895 /nfs/dbraw/zinc/02/98/95/571029895.db2.gz YPEIOABPBKYUFH-LBPRGKRZSA-N 0 2 389.458 3.257 20 0 GGADLN O=S(=O)(Nc1ccc(Cl)c(Cl)c1)c1ccc(-c2nn[nH]n2)cc1F ZINC000738345980 598842466 /nfs/dbraw/zinc/84/24/66/598842466.db2.gz UOYBHHROVTUQKL-UHFFFAOYSA-N 0 2 388.211 3.113 20 0 GGADLN Cc1ccc(-c2nn[nH]n2)cc1S(=O)(=O)Nc1ncc(-c2ccccc2)s1 ZINC000737301917 598968890 /nfs/dbraw/zinc/96/88/90/598968890.db2.gz WQJNKLCXMWDZTD-UHFFFAOYSA-N 0 2 398.473 3.099 20 0 GGADLN COc1cccc(Nc2nn(C[NH+]3CCC(C(=O)[O-])CC3)c(=S)s2)c1 ZINC000739952247 596915660 /nfs/dbraw/zinc/91/56/60/596915660.db2.gz JRVMKCPJTJOXHU-UHFFFAOYSA-N 0 2 380.495 3.180 20 0 GGADLN CC(=O)N(c1nc(C[NH+]2CCC(C(=O)[O-])CC2)cs1)c1ccc(F)cc1 ZINC000738512253 596916789 /nfs/dbraw/zinc/91/67/89/596916789.db2.gz IFZNSJSPLCGMRE-UHFFFAOYSA-N 0 2 377.441 3.263 20 0 GGADLN O=C([O-])C[C@@H]1CCC[N@H+](Cn2nc(C3CC3)n(Cc3ccccc3)c2=S)C1 ZINC000819385191 597048476 /nfs/dbraw/zinc/04/84/76/597048476.db2.gz BNLQNRWEIKIXIP-INIZCTEOSA-N 0 2 386.521 3.484 20 0 GGADLN O=C([O-])C[C@@H]1CCC[N@@H+](Cn2nc(C3CC3)n(Cc3ccccc3)c2=S)C1 ZINC000819385191 597048479 /nfs/dbraw/zinc/04/84/79/597048479.db2.gz BNLQNRWEIKIXIP-INIZCTEOSA-N 0 2 386.521 3.484 20 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O=C(Nc1cccc(CNCc2ccc(-c3nn[nH]n3)o2)c1)C1CCCCC1 ZINC000823363892 599418516 /nfs/dbraw/zinc/41/85/16/599418516.db2.gz QMLQOXSKRDDSPK-UHFFFAOYSA-N 0 2 380.452 3.268 20 0 GGADLN CC(C)C(=O)N[C@H]1CCC[N@H+](Cc2csc(-c3ccc(C(=O)[O-])cc3)n2)C1 ZINC000736345481 599715983 /nfs/dbraw/zinc/71/59/83/599715983.db2.gz PZLQIQHXWICEEB-INIZCTEOSA-N 0 2 387.505 3.245 20 0 GGADLN CC(C)C(=O)N[C@H]1CCC[N@@H+](Cc2csc(-c3ccc(C(=O)[O-])cc3)n2)C1 ZINC000736345481 599715986 /nfs/dbraw/zinc/71/59/86/599715986.db2.gz PZLQIQHXWICEEB-INIZCTEOSA-N 0 2 387.505 3.245 20 0 GGADLN Cc1sc(NC(=O)C[N@H+](C)C[C@H]2OCCc3ccccc32)c(C(=O)[O-])c1C ZINC000738398616 599719273 /nfs/dbraw/zinc/71/92/73/599719273.db2.gz LQEGTWHIMHQAKY-MRXNPFEDSA-N 0 2 388.489 3.247 20 0 GGADLN Cc1sc(NC(=O)C[N@@H+](C)C[C@H]2OCCc3ccccc32)c(C(=O)[O-])c1C ZINC000738398616 599719275 /nfs/dbraw/zinc/71/92/75/599719275.db2.gz LQEGTWHIMHQAKY-MRXNPFEDSA-N 0 2 388.489 3.247 20 0 GGADLN CN(CCCC(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1)C(=O)[O-] ZINC000737422866 599732882 /nfs/dbraw/zinc/73/28/82/599732882.db2.gz PSFDAMMEVVZXHG-OAHLLOKOSA-N 0 2 385.867 3.122 20 0 GGADLN O=C([O-])[C@@H]([NH2+]CC(=O)Nc1ccc(Br)cc1Cl)c1ccccc1 ZINC000390623656 599759591 /nfs/dbraw/zinc/75/95/91/599759591.db2.gz HKQZLRJOCBXSMV-HNNXBMFYSA-N 0 2 397.656 3.457 20 0 GGADLN Cc1nn(C[N@@H+](C[C@@H](C)C(=O)[O-])C2CC2)c(=S)n1CCc1cccs1 ZINC000738922007 599768214 /nfs/dbraw/zinc/76/82/14/599768214.db2.gz BQSBTNQMFSFEDG-GFCCVEGCSA-N 0 2 380.539 3.169 20 0 GGADLN Cc1nn(C[N@H+](C[C@@H](C)C(=O)[O-])C2CC2)c(=S)n1CCc1cccs1 ZINC000738922007 599768216 /nfs/dbraw/zinc/76/82/16/599768216.db2.gz BQSBTNQMFSFEDG-GFCCVEGCSA-N 0 2 380.539 3.169 20 0 GGADLN O=C([O-])[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1cc(-c2ccccc2)nc2ccccc21 ZINC000739451969 599776394 /nfs/dbraw/zinc/77/63/94/599776394.db2.gz MJSHHFLTQYIPGF-FQEVSTJZSA-N 0 2 386.411 3.051 20 0 GGADLN O=C([O-])[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1cc(-c2ccccc2)nc2ccccc21 ZINC000739451969 599776396 /nfs/dbraw/zinc/77/63/96/599776396.db2.gz MJSHHFLTQYIPGF-FQEVSTJZSA-N 0 2 386.411 3.051 20 0 GGADLN O=C([O-])[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1sc2cc(Cl)ccc2c1Cl ZINC000323895210 599778117 /nfs/dbraw/zinc/77/81/17/599778117.db2.gz OIKVPKLWMFQFGJ-JTQLQIEISA-N 0 2 384.244 3.357 20 0 GGADLN O=C([O-])[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1sc2cc(Cl)ccc2c1Cl ZINC000323895210 599778119 /nfs/dbraw/zinc/77/81/19/599778119.db2.gz OIKVPKLWMFQFGJ-JTQLQIEISA-N 0 2 384.244 3.357 20 0 GGADLN Cc1c(Br)c(C(=O)[O-])nn1C[N@@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC000738252358 599778204 /nfs/dbraw/zinc/77/82/04/599778204.db2.gz AELCEDQTSNXOND-LBPRGKRZSA-N 0 2 382.233 3.238 20 0 GGADLN Cc1c(Br)c(C(=O)[O-])nn1C[N@H+]1CC[C@H](c2cccc(F)c2)C1 ZINC000738252358 599778206 /nfs/dbraw/zinc/77/82/06/599778206.db2.gz AELCEDQTSNXOND-LBPRGKRZSA-N 0 2 382.233 3.238 20 0 GGADLN CN(Cc1cc(Cl)cc(Cl)c1)C(=O)C[NH2+][C@@H](C(=O)[O-])c1ccccc1 ZINC000737450868 599781377 /nfs/dbraw/zinc/78/13/77/599781377.db2.gz FTAYXFHWOWQPPB-QGZVFWFLSA-N 0 2 381.259 3.367 20 0 GGADLN O=C([O-])[C@H]([NH2+]CC(=O)NCC1(c2ccc(F)cc2)CCCC1)c1ccccc1 ZINC000739307325 599782101 /nfs/dbraw/zinc/78/21/01/599782101.db2.gz MMEDUKUEYSVFOO-HXUWFJFHSA-N 0 2 384.451 3.169 20 0 GGADLN CN(Cc1ccc(Cl)c(Cl)c1)C(=O)C[NH2+][C@H](C(=O)[O-])c1ccccc1 ZINC000737472125 599784691 /nfs/dbraw/zinc/78/46/91/599784691.db2.gz NJWXJGUYOUBSED-KRWDZBQOSA-N 0 2 381.259 3.367 20 0 GGADLN O=C([O-])[C@@H]([NH2+]CC(=O)Nc1ccccc1C(=O)c1ccccc1)c1ccccc1 ZINC000739306698 599785299 /nfs/dbraw/zinc/78/52/99/599785299.db2.gz HQSUXHHFMJKQNH-NRFANRHFSA-N 0 2 388.423 3.272 20 0 GGADLN O=C([O-])[C@H]([NH2+]CC(=O)Nc1ccc(N2CCCCCC2)cc1)c1ccccc1 ZINC000739307581 599785383 /nfs/dbraw/zinc/78/53/83/599785383.db2.gz OXDGWBZACPQGKZ-OAQYLSRUSA-N 0 2 381.476 3.421 20 0 GGADLN O=C(C[NH2+][C@H](C(=O)[O-])c1ccccc1)NCc1ccccc1OC1CCCC1 ZINC000739307312 599787425 /nfs/dbraw/zinc/78/74/25/599787425.db2.gz LYAPMGKBNOTPKK-NRFANRHFSA-N 0 2 382.460 3.040 20 0 GGADLN Cc1ccc(NC(=O)C[NH2+][C@@H](C(=O)[O-])c2ccc(Br)cc2)c(F)c1 ZINC000738622531 599789350 /nfs/dbraw/zinc/78/93/50/599789350.db2.gz WRVOAASPXRXSCA-MRXNPFEDSA-N 0 2 395.228 3.251 20 0 GGADLN O=C([O-])[C@@H]([NH2+]CC(=O)NCCC1=CCCCC1)c1ccc(Br)cc1 ZINC000739306572 599789599 /nfs/dbraw/zinc/78/95/99/599789599.db2.gz FPRNRTWSNHMDKX-KRWDZBQOSA-N 0 2 395.297 3.171 20 0 GGADLN C[C@H](NC(=O)C[NH2+][C@H](C(=O)[O-])c1ccc(Br)cc1)c1cccs1 ZINC000736639550 599790219 /nfs/dbraw/zinc/79/02/19/599790219.db2.gz VIHMUADNKKTYAC-BONVTDFDSA-N 0 2 397.294 3.103 20 0 GGADLN C[C@@H]1CCC[C@H](NC(=O)C[NH2+][C@@H](C(=O)[O-])c2ccc(Br)cc2)[C@H]1C ZINC000736774398 599790247 /nfs/dbraw/zinc/79/02/47/599790247.db2.gz GYJFVHMWRNEQMK-PZNPJNSTSA-N 0 2 397.313 3.105 20 0 GGADLN Cc1ccc(NC(=O)C[NH2+][C@H](C(=O)[O-])c2ccc(Br)cc2)cc1 ZINC000738621721 599790556 /nfs/dbraw/zinc/79/05/56/599790556.db2.gz JIJORVPKDSTYGH-INIZCTEOSA-N 0 2 377.238 3.112 20 0 GGADLN O=C([O-])[C@@H]([NH2+]CC(=O)NC1CCCCCCC1)c1ccc(Br)cc1 ZINC000739307248 599790681 /nfs/dbraw/zinc/79/06/81/599790681.db2.gz KSXAEEWDJDXJGW-KRWDZBQOSA-N 0 2 397.313 3.394 20 0 GGADLN Cc1cccc(NC(=O)C[NH2+][C@@H](C(=O)[O-])c2ccc(Br)cc2)c1 ZINC000738736456 599790760 /nfs/dbraw/zinc/79/07/60/599790760.db2.gz YMOWCTXRVHQNKP-MRXNPFEDSA-N 0 2 377.238 3.112 20 0 GGADLN Cc1ccc(NC(=O)C[NH2+][C@@H](C(=O)[O-])c2ccc(Br)cc2)c(C)c1 ZINC000738622193 599790770 /nfs/dbraw/zinc/79/07/70/599790770.db2.gz OHDHGPYWVWCEGH-QGZVFWFLSA-N 0 2 391.265 3.420 20 0 GGADLN O=C([O-])[C@@H]([NH2+]CC(=O)Nc1ccc(F)c(F)c1)c1ccc(Br)cc1 ZINC000739307349 599790996 /nfs/dbraw/zinc/79/09/96/599790996.db2.gz NIGBISKGVDBMQI-HNNXBMFYSA-N 0 2 399.191 3.081 20 0 GGADLN CC(C)N(C(=O)C[NH2+][C@@H](C(=O)[O-])c1ccc(Br)cc1)C1CCCC1 ZINC000736453972 599791534 /nfs/dbraw/zinc/79/15/34/599791534.db2.gz AYGQUKADFYECAY-QGZVFWFLSA-N 0 2 397.313 3.344 20 0 GGADLN O=C([O-])[C@@H]([NH2+]CC(=O)NCCC1CCCCC1)c1ccc(Br)cc1 ZINC000739307220 599792129 /nfs/dbraw/zinc/79/21/29/599792129.db2.gz JZAQOOBXUXXWBQ-KRWDZBQOSA-N 0 2 397.313 3.251 20 0 GGADLN Cc1c(C(=O)[O-])sc2[nH]c(C[N@@H+]3CC[C@@H](c4cccc(F)c4)C3)nc(=O)c12 ZINC000738288441 599796823 /nfs/dbraw/zinc/79/68/23/599796823.db2.gz CNLRIRSUAZJYKN-GFCCVEGCSA-N 0 2 387.436 3.120 20 0 GGADLN Cc1c(C(=O)[O-])sc2[nH]c(C[N@H+]3CC[C@@H](c4cccc(F)c4)C3)nc(=O)c12 ZINC000738288441 599796824 /nfs/dbraw/zinc/79/68/24/599796824.db2.gz CNLRIRSUAZJYKN-GFCCVEGCSA-N 0 2 387.436 3.120 20 0 GGADLN C[C@@H](c1cccc(NC(=O)N[C@@H](CC(=O)[O-])c2ccccc2)c1)[NH+]1CCOCC1 ZINC000736717355 599822615 /nfs/dbraw/zinc/82/26/15/599822615.db2.gz MMFYXCJEXPHSQT-JXFKEZNVSA-N 0 2 397.475 3.417 20 0 GGADLN O=C([O-])CCc1ccc(NC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)cc1 ZINC000739759503 599829878 /nfs/dbraw/zinc/82/98/78/599829878.db2.gz CIHMTSIEGZXUOU-UHFFFAOYSA-N 0 2 382.395 3.350 20 0 GGADLN Cc1cccc(OCc2nn(C[N@@H+]3CCCC[C@H]3CC(=O)[O-])c(=S)o2)c1 ZINC000738737828 599841756 /nfs/dbraw/zinc/84/17/56/599841756.db2.gz MXOKMBFAEKTGBA-AWEZNQCLSA-N 0 2 377.466 3.380 20 0 GGADLN Cc1cccc(OCc2nn(C[N@H+]3CCCC[C@H]3CC(=O)[O-])c(=S)o2)c1 ZINC000738737828 599841757 /nfs/dbraw/zinc/84/17/57/599841757.db2.gz MXOKMBFAEKTGBA-AWEZNQCLSA-N 0 2 377.466 3.380 20 0 GGADLN COc1ccc([C@H]([NH2+]CC(=O)N(C)[C@@H](C)c2ccc(Cl)cc2)C(=O)[O-])cc1 ZINC000737965491 599857495 /nfs/dbraw/zinc/85/74/95/599857495.db2.gz XPGINYLHWNOSHY-DJJJIMSYSA-N 0 2 390.867 3.284 20 0 GGADLN COc1ccc([C@H]([NH2+]CC(=O)N[C@@H](C)c2cccc3ccccc32)C(=O)[O-])cc1 ZINC000737968621 599857941 /nfs/dbraw/zinc/85/79/41/599857941.db2.gz CLTLFJAAKRSCEM-NYHFZMIOSA-N 0 2 392.455 3.441 20 0 GGADLN COc1ccc([C@H]([NH2+]CC(=O)N[C@H](C)c2cccc3ccccc32)C(=O)[O-])cc1 ZINC000737968625 599857953 /nfs/dbraw/zinc/85/79/53/599857953.db2.gz CLTLFJAAKRSCEM-QRQCRPRQSA-N 0 2 392.455 3.441 20 0 GGADLN COc1ccc([C@H]([NH2+]CC(=O)N[C@@H](c2ccccc2)C2CCCC2)C(=O)[O-])cc1 ZINC000737970479 599860065 /nfs/dbraw/zinc/86/00/65/599860065.db2.gz JJMBOCRUPRLEPE-VXKWHMMOSA-N 0 2 396.487 3.458 20 0 GGADLN COc1ccc([C@H]([NH2+]CC(=O)Nc2ccc(Cl)c(Cl)c2)C(=O)[O-])cc1 ZINC000737970101 599860246 /nfs/dbraw/zinc/86/02/46/599860246.db2.gz IGPHZZKEARUTOY-INIZCTEOSA-N 0 2 383.231 3.356 20 0 GGADLN CC[C@@H](NC(=O)C[NH2+][C@@H](C(=O)[O-])c1ccc(OC)cc1)c1ccc(Cl)cc1 ZINC000736911397 599862296 /nfs/dbraw/zinc/86/22/96/599862296.db2.gz VPNRGMUUSHCXQN-IEBWSBKVSA-N 0 2 390.867 3.331 20 0 GGADLN COc1ccc([C@@H]([NH2+]CC(=O)N[C@H](C)c2ccc3c(c2)CCCC3)C(=O)[O-])cc1 ZINC000737975311 599863159 /nfs/dbraw/zinc/86/31/59/599863159.db2.gz XWLVDGLWVFBILR-IVZQSRNASA-N 0 2 396.487 3.167 20 0 GGADLN COc1ccc([C@@H]([NH2+]CC(=O)Nc2ccccc2SC(F)F)C(=O)[O-])cc1 ZINC000737973503 599863286 /nfs/dbraw/zinc/86/32/86/599863286.db2.gz QJINRKNGHJZAII-MRXNPFEDSA-N 0 2 396.415 3.364 20 0 GGADLN COc1ccc([C@H]([NH2+]CC(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)C(=O)[O-])cc1 ZINC000737975313 599863456 /nfs/dbraw/zinc/86/34/56/599863456.db2.gz XWLVDGLWVFBILR-NYHFZMIOSA-N 0 2 396.487 3.167 20 0 GGADLN O=C([O-])c1ccc(C(=O)Nc2nc3ccccc3n2CCCn2cc[nH+]c2)cc1 ZINC000740120054 599919984 /nfs/dbraw/zinc/91/99/84/599919984.db2.gz CMTUUKAQWXYCCE-UHFFFAOYSA-N 0 2 389.415 3.274 20 0 GGADLN O=C([O-])c1ccc(OCCNc2[nH+]cnc3c2cnn3-c2ccccc2)cc1 ZINC000740168154 599923311 /nfs/dbraw/zinc/92/33/11/599923311.db2.gz OLRFFGGLHNWUMO-UHFFFAOYSA-N 0 2 375.388 3.005 20 0 GGADLN C[C@@H](C[N@H+](Cn1nc(N2CCC(C)CC2)n(C2CC2)c1=S)C1CC1)C(=O)[O-] ZINC000736803537 599933732 /nfs/dbraw/zinc/93/37/32/599933732.db2.gz XMNZMEAISYOFRR-AWEZNQCLSA-N 0 2 393.557 3.128 20 0 GGADLN C[C@@H](C[N@@H+](Cn1nc(N2CCC(C)CC2)n(C2CC2)c1=S)C1CC1)C(=O)[O-] ZINC000736803537 599933735 /nfs/dbraw/zinc/93/37/35/599933735.db2.gz XMNZMEAISYOFRR-AWEZNQCLSA-N 0 2 393.557 3.128 20 0 GGADLN CCCn1c(-c2ccncc2)nn(C[N@H+](C[C@H](C)C(=O)[O-])C2CC2)c1=S ZINC000737051530 599935174 /nfs/dbraw/zinc/93/51/74/599935174.db2.gz VZZCWIHOLQNIEP-ZDUSSCGKSA-N 0 2 375.498 3.029 20 0 GGADLN CCCn1c(-c2ccncc2)nn(C[N@@H+](C[C@H](C)C(=O)[O-])C2CC2)c1=S ZINC000737051530 599935176 /nfs/dbraw/zinc/93/51/76/599935176.db2.gz VZZCWIHOLQNIEP-ZDUSSCGKSA-N 0 2 375.498 3.029 20 0 GGADLN C[C@@H](C[N@H+](Cn1nc(C2CC2)n(Cc2ccco2)c1=S)C1CC1)C(=O)[O-] ZINC000736580940 599935305 /nfs/dbraw/zinc/93/53/05/599935305.db2.gz FVLRGSPTKLYFNG-LBPRGKRZSA-N 0 2 376.482 3.075 20 0 GGADLN C[C@@H](C[N@@H+](Cn1nc(C2CC2)n(Cc2ccco2)c1=S)C1CC1)C(=O)[O-] ZINC000736580940 599935306 /nfs/dbraw/zinc/93/53/06/599935306.db2.gz FVLRGSPTKLYFNG-LBPRGKRZSA-N 0 2 376.482 3.075 20 0 GGADLN COc1cc(OC)cc(-c2nn(C[N@H+](C[C@@H](C)C(=O)[O-])C3CC3)c(=S)o2)c1 ZINC000737903473 599935732 /nfs/dbraw/zinc/93/57/32/599935732.db2.gz WLHWLCVWEMVCSW-LLVKDONJSA-N 0 2 393.465 3.032 20 0 GGADLN COc1cc(OC)cc(-c2nn(C[N@@H+](C[C@@H](C)C(=O)[O-])C3CC3)c(=S)o2)c1 ZINC000737903473 599935735 /nfs/dbraw/zinc/93/57/35/599935735.db2.gz WLHWLCVWEMVCSW-LLVKDONJSA-N 0 2 393.465 3.032 20 0 GGADLN O=C([O-])[C@H](CNc1[nH+]cnc2c1cnn2-c1ccccc1)Cc1cccc(F)c1 ZINC000739504366 599955913 /nfs/dbraw/zinc/95/59/13/599955913.db2.gz XMDMCWBZORGOEQ-HNNXBMFYSA-N 0 2 391.406 3.310 20 0 GGADLN Cc1oc(C(=O)[O-])cc1C[N@H+](CCO)Cc1cc(Br)ccc1F ZINC000738958684 599964058 /nfs/dbraw/zinc/96/40/58/599964058.db2.gz XPQBLUABFFKQRR-UHFFFAOYSA-N 0 2 386.217 3.182 20 0 GGADLN Cc1oc(C(=O)[O-])cc1C[N@@H+](CCO)Cc1cc(Br)ccc1F ZINC000738958684 599964060 /nfs/dbraw/zinc/96/40/60/599964060.db2.gz XPQBLUABFFKQRR-UHFFFAOYSA-N 0 2 386.217 3.182 20 0 GGADLN CC(C)C[C@H](NC(=O)C[N@@H+]1CCC[C@@H]1c1nc2ccccc2s1)C(=O)[O-] ZINC000736412060 599987619 /nfs/dbraw/zinc/98/76/19/599987619.db2.gz KSWBTFWHQLGTRM-LSDHHAIUSA-N 0 2 375.494 3.049 20 0 GGADLN CC(C)C[C@H](NC(=O)C[N@H+]1CCC[C@@H]1c1nc2ccccc2s1)C(=O)[O-] ZINC000736412060 599987620 /nfs/dbraw/zinc/98/76/20/599987620.db2.gz KSWBTFWHQLGTRM-LSDHHAIUSA-N 0 2 375.494 3.049 20 0 GGADLN COc1ccccc1C[NH+]1CCN(C(=O)Nc2ccc(C(=O)[O-])c(C)c2)CC1 ZINC000738133755 600012258 /nfs/dbraw/zinc/01/22/58/600012258.db2.gz SQDAIDPJLJLOEV-UHFFFAOYSA-N 0 2 383.448 3.052 20 0 GGADLN CC[C@H](c1ccccc1)[C@@H]1CCC[N@@H+]1Cn1nc(C(=O)[O-])c2c(C)onc2c1=O ZINC000736929116 600033621 /nfs/dbraw/zinc/03/36/21/600033621.db2.gz OUMRXGIJQNAZBV-CVEARBPZSA-N 0 2 396.447 3.007 20 0 GGADLN CC[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1Cn1nc(C(=O)[O-])c2c(C)onc2c1=O ZINC000736929116 600033624 /nfs/dbraw/zinc/03/36/24/600033624.db2.gz OUMRXGIJQNAZBV-CVEARBPZSA-N 0 2 396.447 3.007 20 0 GGADLN C[C@H](c1cccc(NC(=O)CCc2ccc(C(=O)[O-])cc2)c1)[NH+]1CCOCC1 ZINC000736716865 600044960 /nfs/dbraw/zinc/04/49/60/600044960.db2.gz JIGHHDIRMWCDND-MRXNPFEDSA-N 0 2 382.460 3.349 20 0 GGADLN COc1ccc([C@H]2CCC[N@@H+]2CC(=O)Nc2ccc(C(=O)[O-])cc2)c(OC)c1 ZINC000737987639 600049467 /nfs/dbraw/zinc/04/94/67/600049467.db2.gz WTJIPOCJNUIMDZ-GOSISDBHSA-N 0 2 384.432 3.178 20 0 GGADLN COc1ccc([C@H]2CCC[N@H+]2CC(=O)Nc2ccc(C(=O)[O-])cc2)c(OC)c1 ZINC000737987639 600049469 /nfs/dbraw/zinc/04/94/69/600049469.db2.gz WTJIPOCJNUIMDZ-GOSISDBHSA-N 0 2 384.432 3.178 20 0 GGADLN COc1ccc(OC)c([C@H]2CCC[N@@H+]2CC(=O)Nc2ccc(C(=O)[O-])cc2)c1 ZINC000738047183 600049667 /nfs/dbraw/zinc/04/96/67/600049667.db2.gz ANOIGNBDZFBWJO-GOSISDBHSA-N 0 2 384.432 3.178 20 0 GGADLN COc1ccc(OC)c([C@H]2CCC[N@H+]2CC(=O)Nc2ccc(C(=O)[O-])cc2)c1 ZINC000738047183 600049669 /nfs/dbraw/zinc/04/96/69/600049669.db2.gz ANOIGNBDZFBWJO-GOSISDBHSA-N 0 2 384.432 3.178 20 0 GGADLN COc1ccc(OC)c([C@H]2CCC[N@@H+]2CC(=O)c2[nH]c(C)c(C(=O)[O-])c2C)c1 ZINC000738047360 600049696 /nfs/dbraw/zinc/04/96/96/600049696.db2.gz DZGLRGFCKLDPAJ-MRXNPFEDSA-N 0 2 386.448 3.367 20 0 GGADLN COc1ccc(OC)c([C@H]2CCC[N@H+]2CC(=O)c2[nH]c(C)c(C(=O)[O-])c2C)c1 ZINC000738047360 600049698 /nfs/dbraw/zinc/04/96/98/600049698.db2.gz DZGLRGFCKLDPAJ-MRXNPFEDSA-N 0 2 386.448 3.367 20 0 GGADLN COc1ccc([C@@H]2CCC[N@@H+]2CC(=O)Nc2cc(C(=O)[O-])ccc2C)c(OC)c1 ZINC000737987020 600049779 /nfs/dbraw/zinc/04/97/79/600049779.db2.gz PVFYQFXDEXFQOU-IBGZPJMESA-N 0 2 398.459 3.486 20 0 GGADLN COc1ccc([C@@H]2CCC[N@H+]2CC(=O)Nc2cc(C(=O)[O-])ccc2C)c(OC)c1 ZINC000737987020 600049783 /nfs/dbraw/zinc/04/97/83/600049783.db2.gz PVFYQFXDEXFQOU-IBGZPJMESA-N 0 2 398.459 3.486 20 0 GGADLN COc1ccc(OC)c([C@@H]2CCC[N@@H+]2CC(=O)Nc2ccc(C(=O)[O-])cc2)c1 ZINC000738047186 600049894 /nfs/dbraw/zinc/04/98/94/600049894.db2.gz ANOIGNBDZFBWJO-SFHVURJKSA-N 0 2 384.432 3.178 20 0 GGADLN COc1ccc(OC)c([C@@H]2CCC[N@H+]2CC(=O)Nc2ccc(C(=O)[O-])cc2)c1 ZINC000738047186 600049897 /nfs/dbraw/zinc/04/98/97/600049897.db2.gz ANOIGNBDZFBWJO-SFHVURJKSA-N 0 2 384.432 3.178 20 0 GGADLN COc1ccc(OC)c([C@@H]2CCC[N@@H+]2CC(=O)Nc2ccccc2C(=O)[O-])c1 ZINC000738049372 600049954 /nfs/dbraw/zinc/04/99/54/600049954.db2.gz QDIWFQBVYLUBIO-SFHVURJKSA-N 0 2 384.432 3.178 20 0 GGADLN COc1ccc(OC)c([C@@H]2CCC[N@H+]2CC(=O)Nc2ccccc2C(=O)[O-])c1 ZINC000738049372 600049956 /nfs/dbraw/zinc/04/99/56/600049956.db2.gz QDIWFQBVYLUBIO-SFHVURJKSA-N 0 2 384.432 3.178 20 0 GGADLN COc1ccc(OC)c([C@H]2CCC[N@@H+]2CC(=O)Nc2cccc(C(=O)[O-])c2)c1 ZINC000738050460 600049993 /nfs/dbraw/zinc/04/99/93/600049993.db2.gz ZWXZQYGQJBVSLX-GOSISDBHSA-N 0 2 384.432 3.178 20 0 GGADLN COc1ccc(OC)c([C@H]2CCC[N@H+]2CC(=O)Nc2cccc(C(=O)[O-])c2)c1 ZINC000738050460 600049994 /nfs/dbraw/zinc/04/99/94/600049994.db2.gz ZWXZQYGQJBVSLX-GOSISDBHSA-N 0 2 384.432 3.178 20 0 GGADLN CCc1[nH]c(C(=O)N2CC[NH+]([C@H](C)c3cccc(OC)c3)CC2)c(C)c1C(=O)[O-] ZINC000737239538 600077405 /nfs/dbraw/zinc/07/74/05/600077405.db2.gz BUKKXPJQBNQJAX-OAHLLOKOSA-N 0 2 399.491 3.111 20 0 GGADLN CCc1[nH]c(C(=O)N2CC[NH+]([C@@H](C)c3cccc(OC)c3)CC2)c(C)c1C(=O)[O-] ZINC000737239537 600077430 /nfs/dbraw/zinc/07/74/30/600077430.db2.gz BUKKXPJQBNQJAX-HNNXBMFYSA-N 0 2 399.491 3.111 20 0 GGADLN C[C@@]([NH2+]CC(=O)Nc1cccc(F)c1)(C(=O)[O-])c1cccc(Br)c1 ZINC000736661627 600078666 /nfs/dbraw/zinc/07/86/66/600078666.db2.gz GNTAQCWQOXVXFV-KRWDZBQOSA-N 0 2 395.228 3.116 20 0 GGADLN COc1cc(C(N)=[NH+]OCc2ccc(F)cc2C(=O)[O-])ccc1OC(F)F ZINC000737867541 600080477 /nfs/dbraw/zinc/08/04/77/600080477.db2.gz LGWKIPCJIQUZBT-UHFFFAOYSA-N 0 2 384.310 3.181 20 0 GGADLN CN(C(=O)C[NH2+][C@](C)(C(=O)[O-])c1cccc(Br)c1)c1ccccc1 ZINC000737322954 600081073 /nfs/dbraw/zinc/08/10/73/600081073.db2.gz SRJLIVIDTCSSOD-SFHVURJKSA-N 0 2 391.265 3.002 20 0 GGADLN Cc1cc(C)n(Cc2cccc(C(N)=[NH+]OCc3ccc(F)cc3C(=O)[O-])c2)n1 ZINC000738376632 600081566 /nfs/dbraw/zinc/08/15/66/600081566.db2.gz DMBJDDZWSJBUHD-UHFFFAOYSA-N 0 2 396.422 3.432 20 0 GGADLN Cc1ccc(C)n1C1CC[NH+](Cc2nc3cc(C(=O)[O-])ccc3c(=O)[nH]2)CC1 ZINC000738579804 600091426 /nfs/dbraw/zinc/09/14/26/600091426.db2.gz VEJNRAYDFWUIBT-UHFFFAOYSA-N 0 2 380.448 3.289 20 0 GGADLN COC(=O)c1cc(F)ccc1C[N@@H+]1CCN(c2ccc(C(=O)[O-])cc2)C[C@H]1C ZINC000737654096 600091973 /nfs/dbraw/zinc/09/19/73/600091973.db2.gz NFLOOWWSLREEKE-CQSZACIVSA-N 0 2 386.423 3.021 20 0 GGADLN COC(=O)c1cc(F)ccc1C[N@H+]1CCN(c2ccc(C(=O)[O-])cc2)C[C@H]1C ZINC000737654096 600091974 /nfs/dbraw/zinc/09/19/74/600091974.db2.gz NFLOOWWSLREEKE-CQSZACIVSA-N 0 2 386.423 3.021 20 0 GGADLN Cc1csc([C@@H]2CCC[N@H+](Cc3nc4cc(C(=O)[O-])ccc4c(=O)[nH]3)C2)n1 ZINC000738816908 600092804 /nfs/dbraw/zinc/09/28/04/600092804.db2.gz RLTKMKICYFPBBU-CYBMUJFWSA-N 0 2 384.461 3.178 20 0 GGADLN Cc1csc([C@@H]2CCC[N@@H+](Cc3nc4cc(C(=O)[O-])ccc4c(=O)[nH]3)C2)n1 ZINC000738816908 600092807 /nfs/dbraw/zinc/09/28/07/600092807.db2.gz RLTKMKICYFPBBU-CYBMUJFWSA-N 0 2 384.461 3.178 20 0 GGADLN Cc1[nH]c(C(=O)[C@H](C)N2CC[C@@H](CNc3cc(C)cc[nH+]3)C2)c(C)c1C(=O)[O-] ZINC000738798948 600096679 /nfs/dbraw/zinc/09/66/79/600096679.db2.gz VWYJCQWGEYAVGE-HOTGVXAUSA-N 0 2 384.480 3.038 20 0 GGADLN O=C([O-])c1ccc(-c2nc(C[N@H+]3CCC[C@@H]3[C@@H](O)C(F)(F)F)cs2)cc1 ZINC000740099396 600133895 /nfs/dbraw/zinc/13/38/95/600133895.db2.gz XOYJSVYPMCJDDT-ZIAGYGMSSA-N 0 2 386.395 3.396 20 0 GGADLN O=C([O-])c1ccc(-c2nc(C[N@@H+]3CCC[C@@H]3[C@@H](O)C(F)(F)F)cs2)cc1 ZINC000740099396 600133897 /nfs/dbraw/zinc/13/38/97/600133897.db2.gz XOYJSVYPMCJDDT-ZIAGYGMSSA-N 0 2 386.395 3.396 20 0 GGADLN C[N@H+](CC(=O)N1N=C(c2cccs2)C[C@@H]1c1cccs1)C(C)(C)C(=O)[O-] ZINC000737388200 600137518 /nfs/dbraw/zinc/13/75/18/600137518.db2.gz FFVCGGWAXKYEBG-CYBMUJFWSA-N 0 2 391.518 3.282 20 0 GGADLN C[N@@H+](CC(=O)N1N=C(c2cccs2)C[C@@H]1c1cccs1)C(C)(C)C(=O)[O-] ZINC000737388200 600137521 /nfs/dbraw/zinc/13/75/21/600137521.db2.gz FFVCGGWAXKYEBG-CYBMUJFWSA-N 0 2 391.518 3.282 20 0 GGADLN Cc1c(Br)c(C(=O)[O-])nn1C[N@@H+]1CC[C@@H](c2ccccc2F)C1 ZINC000738252907 600140796 /nfs/dbraw/zinc/14/07/96/600140796.db2.gz KMSGGCHZIVNRDC-LLVKDONJSA-N 0 2 382.233 3.238 20 0 GGADLN Cc1c(Br)c(C(=O)[O-])nn1C[N@H+]1CC[C@@H](c2ccccc2F)C1 ZINC000738252907 600140799 /nfs/dbraw/zinc/14/07/99/600140799.db2.gz KMSGGCHZIVNRDC-LLVKDONJSA-N 0 2 382.233 3.238 20 0 GGADLN O=C([O-])C1([NH2+]Cc2nnc(-c3ccccc3Br)o2)CCCCC1 ZINC000739519172 600150970 /nfs/dbraw/zinc/15/09/70/600150970.db2.gz FJRJLCDYNSOOFR-UHFFFAOYSA-N 0 2 380.242 3.376 20 0 GGADLN Cc1ccc([C@@H](CNC(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)C(=O)[O-])cc1 ZINC000738553390 600156317 /nfs/dbraw/zinc/15/63/17/600156317.db2.gz TZWJHYGJCHUALG-WOJBJXKFSA-N 0 2 398.528 3.070 20 0 GGADLN O=C([O-])c1ccc(Cl)cc1S(=O)(=O)Nc1ccc(-n2cc[nH+]c2)c(F)c1 ZINC000740134766 600179939 /nfs/dbraw/zinc/17/99/39/600179939.db2.gz KYVMXPHEVALDFA-UHFFFAOYSA-N 0 2 395.799 3.164 20 0 GGADLN Cc1ccc2[nH+]c(CSCC(=O)N(C)[C@H](C(=O)[O-])c3ccccc3)cn2c1 ZINC000738677162 600196195 /nfs/dbraw/zinc/19/61/95/600196195.db2.gz NRNHJXYJERJOCP-IBGZPJMESA-N 0 2 383.473 3.160 20 0 GGADLN CC(C)C[C@H](NC(=O)[O-])C(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000736424102 600271273 /nfs/dbraw/zinc/27/12/73/600271273.db2.gz XIGQNOTUAMIHIF-RDJZCZTQSA-N 0 2 399.894 3.242 20 0 GGADLN CC(C)C[C@H](NC(=O)[O-])C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000736424102 600271274 /nfs/dbraw/zinc/27/12/74/600271274.db2.gz XIGQNOTUAMIHIF-RDJZCZTQSA-N 0 2 399.894 3.242 20 0 GGADLN CC(C)C[C@@H](NC(=O)[O-])C(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000736424100 600271577 /nfs/dbraw/zinc/27/15/77/600271577.db2.gz XIGQNOTUAMIHIF-DOTOQJQBSA-N 0 2 399.894 3.242 20 0 GGADLN CC(C)C[C@@H](NC(=O)[O-])C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000736424100 600271581 /nfs/dbraw/zinc/27/15/81/600271581.db2.gz XIGQNOTUAMIHIF-DOTOQJQBSA-N 0 2 399.894 3.242 20 0 GGADLN CC(=O)c1oc2ccccc2c1NC(=O)[C@H](C)[NH+]1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000736195873 600287889 /nfs/dbraw/zinc/28/78/89/600287889.db2.gz GJGPAHAUMWFLRF-SWLSCSKDSA-N 0 2 384.432 3.149 20 0 GGADLN O=C([O-])[C@H]1CC12CC[NH+](Cc1nc(=O)c3c(-c4ccco4)csc3[nH]1)CC2 ZINC000739537016 600296417 /nfs/dbraw/zinc/29/64/17/600296417.db2.gz RRYAIUPCBBOYGA-GFCCVEGCSA-N 0 2 385.445 3.344 20 0 GGADLN O=C([O-])NCc1ccc(NC(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)cc1 ZINC000739987010 600309093 /nfs/dbraw/zinc/30/90/93/600309093.db2.gz SQYHMYPXKNSBEN-SFHVURJKSA-N 0 2 385.489 3.183 20 0 GGADLN C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N3CCC4(C[C@@H]4C(=O)[O-])CC3)n2)C1 ZINC000736793122 600317647 /nfs/dbraw/zinc/31/76/47/600317647.db2.gz JTAAOKXSQFZHKV-UKRRQHHQSA-N 0 2 392.525 3.094 20 0 GGADLN C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N3CCC4(C[C@@H]4C(=O)[O-])CC3)n2)C1 ZINC000736793122 600317649 /nfs/dbraw/zinc/31/76/49/600317649.db2.gz JTAAOKXSQFZHKV-UKRRQHHQSA-N 0 2 392.525 3.094 20 0 GGADLN Cn1cc(-c2nc(C[N@H+](CCC(=O)[O-])Cc3ccc(F)c(F)c3)cs2)cn1 ZINC000652474528 600325838 /nfs/dbraw/zinc/32/58/38/600325838.db2.gz GXDSHECTHCCPHK-UHFFFAOYSA-N 0 2 392.431 3.299 20 0 GGADLN Cn1cc(-c2nc(C[N@@H+](CCC(=O)[O-])Cc3ccc(F)c(F)c3)cs2)cn1 ZINC000652474528 600325841 /nfs/dbraw/zinc/32/58/41/600325841.db2.gz GXDSHECTHCCPHK-UHFFFAOYSA-N 0 2 392.431 3.299 20 0 GGADLN CCc1nc(NC(=O)C[N@H+](CCC(=O)[O-])Cc2ccc(F)c(F)c2)sc1C ZINC000737282693 600326479 /nfs/dbraw/zinc/32/64/79/600326479.db2.gz KKTRLDRWDZHQAO-UHFFFAOYSA-N 0 2 397.447 3.208 20 0 GGADLN CCc1nc(NC(=O)C[N@@H+](CCC(=O)[O-])Cc2ccc(F)c(F)c2)sc1C ZINC000737282693 600326483 /nfs/dbraw/zinc/32/64/83/600326483.db2.gz KKTRLDRWDZHQAO-UHFFFAOYSA-N 0 2 397.447 3.208 20 0 GGADLN Cc1ccc(NC(=O)C[N@H+](CCC(=O)[O-])Cc2ccc(F)c(F)c2)c(F)c1 ZINC000738621370 600326550 /nfs/dbraw/zinc/32/65/50/600326550.db2.gz GLTJVHLDZIDQMX-UHFFFAOYSA-N 0 2 380.366 3.328 20 0 GGADLN Cc1ccc(NC(=O)C[N@@H+](CCC(=O)[O-])Cc2ccc(F)c(F)c2)c(F)c1 ZINC000738621370 600326554 /nfs/dbraw/zinc/32/65/54/600326554.db2.gz GLTJVHLDZIDQMX-UHFFFAOYSA-N 0 2 380.366 3.328 20 0 GGADLN CC(C)(C)c1cc(NC(=O)C[N@H+](CCC(=O)[O-])Cc2ccc(F)c(F)c2)on1 ZINC000736294728 600327537 /nfs/dbraw/zinc/32/75/37/600327537.db2.gz PHUSGCGJCWIHHF-UHFFFAOYSA-N 0 2 395.406 3.166 20 0 GGADLN CC(C)(C)c1cc(NC(=O)C[N@@H+](CCC(=O)[O-])Cc2ccc(F)c(F)c2)on1 ZINC000736294728 600327539 /nfs/dbraw/zinc/32/75/39/600327539.db2.gz PHUSGCGJCWIHHF-UHFFFAOYSA-N 0 2 395.406 3.166 20 0 GGADLN CN(Cc1ccc(NC(=O)N2CC[NH+](Cc3ccsc3)CC2)cc1)C(=O)[O-] ZINC000737484226 600345357 /nfs/dbraw/zinc/34/53/57/600345357.db2.gz WICKVLUXXIVWOL-UHFFFAOYSA-N 0 2 388.493 3.208 20 0 GGADLN O=C([O-])c1cccc(NC(=O)N[C@@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)c1 ZINC000739478998 600355231 /nfs/dbraw/zinc/35/52/31/600355231.db2.gz DUCKIXWLGZJQMF-OAHLLOKOSA-N 0 2 389.402 3.449 20 0 GGADLN O=C([O-])c1cccc(NC(=O)N[C@@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)c1 ZINC000739478998 600355234 /nfs/dbraw/zinc/35/52/34/600355234.db2.gz DUCKIXWLGZJQMF-OAHLLOKOSA-N 0 2 389.402 3.449 20 0 GGADLN C[C@@H](C(=O)Nc1nc(-c2c[nH]c(C(=O)[O-])c2)cs1)[N@@H+]1CCc2ccccc2C1 ZINC000736220165 600358916 /nfs/dbraw/zinc/35/89/16/600358916.db2.gz YUEUXZVFTWWQDO-LBPRGKRZSA-N 0 2 396.472 3.222 20 0 GGADLN C[C@@H](C(=O)Nc1nc(-c2c[nH]c(C(=O)[O-])c2)cs1)[N@H+]1CCc2ccccc2C1 ZINC000736220165 600358918 /nfs/dbraw/zinc/35/89/18/600358918.db2.gz YUEUXZVFTWWQDO-LBPRGKRZSA-N 0 2 396.472 3.222 20 0 GGADLN O=C([O-])c1ccc(NC(=O)N[C@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)cc1 ZINC000739467469 600379402 /nfs/dbraw/zinc/37/94/02/600379402.db2.gz WJDARNHBFPAULU-HNNXBMFYSA-N 0 2 389.402 3.449 20 0 GGADLN O=C([O-])c1ccc(NC(=O)N[C@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)cc1 ZINC000739467469 600379405 /nfs/dbraw/zinc/37/94/05/600379405.db2.gz WJDARNHBFPAULU-HNNXBMFYSA-N 0 2 389.402 3.449 20 0 GGADLN O=C([O-])[C@H](c1cccc(Cl)c1)[NH+]1CCN(C(=O)c2ccc(F)cc2F)CC1 ZINC000739518594 600404504 /nfs/dbraw/zinc/40/45/04/600404504.db2.gz UQYVZGCHEZLLEI-KRWDZBQOSA-N 0 2 394.805 3.202 20 0 GGADLN O=C([O-])c1ccc(NC(=O)N2CCC[C@H](c3[nH]cc[nH+]3)C2)c(OC(F)F)c1 ZINC000740147649 600407699 /nfs/dbraw/zinc/40/76/99/600407699.db2.gz OAEWWAOUNYTYDV-NSHDSACASA-N 0 2 380.351 3.121 20 0 GGADLN O=C([O-])c1ccc(NC(=O)N2CCC(n3cc[nH+]c3)CC2)c(OC(F)F)c1 ZINC000740146856 600409336 /nfs/dbraw/zinc/40/93/36/600409336.db2.gz HMXHRMPVYADZBP-UHFFFAOYSA-N 0 2 380.351 3.052 20 0 GGADLN Cc1ccc2[nH+]c(CSCC(=O)NCCc3ccc(NC(=O)[O-])cc3)cn2c1 ZINC000738677164 600412101 /nfs/dbraw/zinc/41/21/01/600412101.db2.gz OACREYPOYWWTNM-UHFFFAOYSA-N 0 2 398.488 3.325 20 0 GGADLN O=C([O-])Nc1ccc(CNC(=O)C[N@@H+]2CCS[C@@H](c3ccccc3)C2)cc1 ZINC000740025357 600412732 /nfs/dbraw/zinc/41/27/32/600412732.db2.gz RTEIARPZOGHYNT-GOSISDBHSA-N 0 2 385.489 3.183 20 0 GGADLN O=C([O-])Nc1ccc(CNC(=O)C[N@H+]2CCS[C@@H](c3ccccc3)C2)cc1 ZINC000740025357 600412735 /nfs/dbraw/zinc/41/27/35/600412735.db2.gz RTEIARPZOGHYNT-GOSISDBHSA-N 0 2 385.489 3.183 20 0 GGADLN Cc1cc(Br)ccc1NC(=O)C[NH2+][C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC000738313155 600417280 /nfs/dbraw/zinc/41/72/80/600417280.db2.gz GPHUCMRQYPNBPX-MRXNPFEDSA-N 0 2 395.228 3.251 20 0 GGADLN O=C([O-])[C@@H]1CCC[N@H+](Cn2[nH]c(-c3ccc(Br)cc3)nc2=S)C1 ZINC000739582888 600422439 /nfs/dbraw/zinc/42/24/39/600422439.db2.gz NNSHPMGQDCZYJD-LLVKDONJSA-N 0 2 397.298 3.124 20 0 GGADLN O=C([O-])[C@@H]1CCC[N@@H+](Cn2[nH]c(-c3ccc(Br)cc3)nc2=S)C1 ZINC000739582888 600422440 /nfs/dbraw/zinc/42/24/40/600422440.db2.gz NNSHPMGQDCZYJD-LLVKDONJSA-N 0 2 397.298 3.124 20 0 GGADLN CC[N@H+](CCC(=O)[O-])Cn1nc(-c2ccncc2)n(Cc2ccccc2)c1=S ZINC000737096199 600424793 /nfs/dbraw/zinc/42/47/93/600424793.db2.gz LNNICFQHXJONFJ-UHFFFAOYSA-N 0 2 397.504 3.278 20 0 GGADLN CC[N@@H+](CCC(=O)[O-])Cn1nc(-c2ccncc2)n(Cc2ccccc2)c1=S ZINC000737096199 600424796 /nfs/dbraw/zinc/42/47/96/600424796.db2.gz LNNICFQHXJONFJ-UHFFFAOYSA-N 0 2 397.504 3.278 20 0 GGADLN CC(=O)N1CCCCC[C@H]1C1CC[NH+](Cn2nc(C(=O)[O-])c(Cl)c2C)CC1 ZINC000736134633 600426555 /nfs/dbraw/zinc/42/65/55/600426555.db2.gz KEBBIXIWCHYCCT-INIZCTEOSA-N 0 2 396.919 3.004 20 0 GGADLN Cc1ccc(Br)cc1NC(=O)C[NH2+][C@@H](C(=O)[O-])c1ccc(F)cc1 ZINC000738501650 600432053 /nfs/dbraw/zinc/43/20/53/600432053.db2.gz XFTQXTUULJTHSE-MRXNPFEDSA-N 0 2 395.228 3.251 20 0 GGADLN O=C([O-])[C@@H]([NH2+][C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O)c1ccc(F)cc1 ZINC000739506939 600438733 /nfs/dbraw/zinc/43/87/33/600438733.db2.gz HXIYYDPVSIJYJP-CVEARBPZSA-N 0 2 396.340 3.365 20 0 GGADLN O=C([O-])c1ccc(NC(=O)C[N@@H+]2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)cc1 ZINC000739282462 600441382 /nfs/dbraw/zinc/44/13/82/600441382.db2.gz BKVHLJWSMLOTGZ-MRXNPFEDSA-N 0 2 384.407 3.057 20 0 GGADLN O=C([O-])c1ccc(NC(=O)C[N@H+]2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)cc1 ZINC000739282462 600441383 /nfs/dbraw/zinc/44/13/83/600441383.db2.gz BKVHLJWSMLOTGZ-MRXNPFEDSA-N 0 2 384.407 3.057 20 0 GGADLN O=C([O-])c1cccc(NC(=O)C[N@@H+]2CCC[C@H](C(=O)c3ccc(F)cc3)C2)c1 ZINC000739284945 600441499 /nfs/dbraw/zinc/44/14/99/600441499.db2.gz ZJVJCDATYRNNJW-INIZCTEOSA-N 0 2 384.407 3.057 20 0 GGADLN O=C([O-])c1cccc(NC(=O)C[N@H+]2CCC[C@H](C(=O)c3ccc(F)cc3)C2)c1 ZINC000739284945 600441502 /nfs/dbraw/zinc/44/15/02/600441502.db2.gz ZJVJCDATYRNNJW-INIZCTEOSA-N 0 2 384.407 3.057 20 0 GGADLN CC[C@@H](O)[C@H]1CCCC[N@@H+]1CC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)[O-] ZINC000736923928 600441498 /nfs/dbraw/zinc/44/14/98/600441498.db2.gz KTYCSZQJWMOVKO-ZIAGYGMSSA-N 0 2 389.279 3.256 20 0 GGADLN CC[C@@H](O)[C@H]1CCCC[N@H+]1CC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)[O-] ZINC000736923928 600441500 /nfs/dbraw/zinc/44/15/00/600441500.db2.gz KTYCSZQJWMOVKO-ZIAGYGMSSA-N 0 2 389.279 3.256 20 0 GGADLN CC[C@H](O)[C@H]1CCCC[N@@H+]1CC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)[O-] ZINC000736923923 600441584 /nfs/dbraw/zinc/44/15/84/600441584.db2.gz KTYCSZQJWMOVKO-KGLIPLIRSA-N 0 2 389.279 3.256 20 0 GGADLN CC[C@H](O)[C@H]1CCCC[N@H+]1CC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)[O-] ZINC000736923923 600441585 /nfs/dbraw/zinc/44/15/85/600441585.db2.gz KTYCSZQJWMOVKO-KGLIPLIRSA-N 0 2 389.279 3.256 20 0 GGADLN COc1cc(F)c([C@@H](C)[NH2+][C@@H](C)C(=O)c2[nH]c(C)c(C(=O)[O-])c2C)cc1OC ZINC000737889698 600450340 /nfs/dbraw/zinc/45/03/40/600450340.db2.gz OUWVQEUFIZSBDW-PWSUYJOCSA-N 0 2 392.427 3.408 20 0 GGADLN Cc1cn2cc(NC(=O)NCc3ccc(OCCCC(=O)[O-])cc3)ccc2[nH+]1 ZINC000738798381 600480657 /nfs/dbraw/zinc/48/06/57/600480657.db2.gz JLSSCJQXEAZYES-UHFFFAOYSA-N 0 2 382.420 3.208 20 0 GGADLN O=C([O-])[C@@H]1CCCN(C(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)C1 ZINC000262991801 600487963 /nfs/dbraw/zinc/48/79/63/600487963.db2.gz LXKUMOUZQXFQHB-CJNGLKHVSA-N 0 2 397.878 3.122 20 0 GGADLN O=C([O-])c1ccc(-c2nc(C[N@@H+]3CCC[C@H](N4CCCCC4=O)C3)cs2)cc1 ZINC000740096788 600501491 /nfs/dbraw/zinc/50/14/91/600501491.db2.gz DRSRLUTYACHKKC-SFHVURJKSA-N 0 2 399.516 3.485 20 0 GGADLN O=C([O-])c1ccc(-c2nc(C[N@H+]3CCC[C@H](N4CCCCC4=O)C3)cs2)cc1 ZINC000740096788 600501495 /nfs/dbraw/zinc/50/14/95/600501495.db2.gz DRSRLUTYACHKKC-SFHVURJKSA-N 0 2 399.516 3.485 20 0 GGADLN Cc1cn2cc(NS(=O)(=O)c3cc(C(F)(F)F)ccc3C(=O)[O-])ccc2[nH+]1 ZINC000738797873 600513482 /nfs/dbraw/zinc/51/34/82/600513482.db2.gz BQYIFTQZWPNPOL-UHFFFAOYSA-N 0 2 399.350 3.161 20 0 GGADLN Cc1cc(CNc2ccc([NH+]3CCC(O)CC3)cc2)cc(C)c1OCC(=O)[O-] ZINC000738391375 600524322 /nfs/dbraw/zinc/52/43/22/600524322.db2.gz AZTOEICWZAZIAO-UHFFFAOYSA-N 0 2 384.476 3.340 20 0 GGADLN C[C@H](c1cccnc1)[NH+]1CCN(C(=O)Nc2ccc(CCC(=O)[O-])cc2)CC1 ZINC000736726258 600544008 /nfs/dbraw/zinc/54/40/08/600544008.db2.gz SAMSXSPNKWVPHR-MRXNPFEDSA-N 0 2 382.464 3.010 20 0 GGADLN CC(C)([NH2+]CC(=O)Nc1sc2c(c1C(=O)[O-])CCCC2)c1nccs1 ZINC000736339027 600556342 /nfs/dbraw/zinc/55/63/42/600556342.db2.gz CLNWKASDAINEEW-UHFFFAOYSA-N 0 2 379.507 3.245 20 0 GGADLN O=C([O-])C1CCN(C(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)CC1 ZINC000739592362 600560164 /nfs/dbraw/zinc/56/01/64/600560164.db2.gz UNPGRJHCUNEMRP-INIZCTEOSA-N 0 2 397.878 3.122 20 0 GGADLN COc1cc(OC)cc(-c2nn(C[N@H+](CCC(=O)[O-])C(C)C)c(=S)o2)c1 ZINC000737902506 600610274 /nfs/dbraw/zinc/61/02/74/600610274.db2.gz MYVJNSUZLVAUDZ-UHFFFAOYSA-N 0 2 381.454 3.032 20 0 GGADLN COc1cc(OC)cc(-c2nn(C[N@@H+](CCC(=O)[O-])C(C)C)c(=S)o2)c1 ZINC000737902506 600610276 /nfs/dbraw/zinc/61/02/76/600610276.db2.gz MYVJNSUZLVAUDZ-UHFFFAOYSA-N 0 2 381.454 3.032 20 0 GGADLN C[C@@H](c1nc(-c2cccnc2)no1)[N@@H+]1CCN(c2ccc(C(=O)[O-])cc2)C[C@H]1C ZINC000736824695 600612623 /nfs/dbraw/zinc/61/26/23/600612623.db2.gz PLFIIJJIGKNSLZ-CABCVRRESA-N 0 2 393.447 3.102 20 0 GGADLN C[C@@H](c1nc(-c2cccnc2)no1)[N@H+]1CCN(c2ccc(C(=O)[O-])cc2)C[C@H]1C ZINC000736824695 600612626 /nfs/dbraw/zinc/61/26/26/600612626.db2.gz PLFIIJJIGKNSLZ-CABCVRRESA-N 0 2 393.447 3.102 20 0 GGADLN Cc1oc(CN(C)C(=O)Nc2ccccc2OCCn2cc[nH+]c2)cc1C(=O)[O-] ZINC000738967691 600626903 /nfs/dbraw/zinc/62/69/03/600626903.db2.gz PRVDKYFMSVBWBT-UHFFFAOYSA-N 0 2 398.419 3.226 20 0 GGADLN COc1cccc(F)c1[C@@H](C)[NH2+][C@H]1CCN(c2sccc2C(=O)[O-])C1=O ZINC000832558496 600694173 /nfs/dbraw/zinc/69/41/73/600694173.db2.gz MPHYEIWLDWWSSQ-MFKMUULPSA-N 0 2 378.425 3.050 20 0 GGADLN Cc1cc(C)cc(-n2ccn(C[N@@H+]3CCSC[C@@H]3CC(=O)[O-])c2=S)c1 ZINC000738358906 600703557 /nfs/dbraw/zinc/70/35/57/600703557.db2.gz ZYBXRYTYGAKFAW-INIZCTEOSA-N 0 2 377.535 3.475 20 0 GGADLN Cc1cc(C)cc(-n2ccn(C[N@H+]3CCSC[C@@H]3CC(=O)[O-])c2=S)c1 ZINC000738358906 600703558 /nfs/dbraw/zinc/70/35/58/600703558.db2.gz ZYBXRYTYGAKFAW-INIZCTEOSA-N 0 2 377.535 3.475 20 0 GGADLN Cc1ccc(C)c(-n2ccn(C[N@@H+]3CCSC[C@H]3CC(=O)[O-])c2=S)c1 ZINC000738573103 600705185 /nfs/dbraw/zinc/70/51/85/600705185.db2.gz HVJVXNSMUYRIKR-OAHLLOKOSA-N 0 2 377.535 3.475 20 0 GGADLN Cc1ccc(C)c(-n2ccn(C[N@H+]3CCSC[C@H]3CC(=O)[O-])c2=S)c1 ZINC000738573103 600705187 /nfs/dbraw/zinc/70/51/87/600705187.db2.gz HVJVXNSMUYRIKR-OAHLLOKOSA-N 0 2 377.535 3.475 20 0 GGADLN O=C([O-])[C@H]1CCC[N@H+](Cn2[nH]c(-c3ccc(Br)cc3)nc2=S)C1 ZINC000739582889 600715262 /nfs/dbraw/zinc/71/52/62/600715262.db2.gz NNSHPMGQDCZYJD-NSHDSACASA-N 0 2 397.298 3.124 20 0 GGADLN O=C([O-])[C@H]1CCC[N@@H+](Cn2[nH]c(-c3ccc(Br)cc3)nc2=S)C1 ZINC000739582889 600715264 /nfs/dbraw/zinc/71/52/64/600715264.db2.gz NNSHPMGQDCZYJD-NSHDSACASA-N 0 2 397.298 3.124 20 0 GGADLN Cc1oc(C(=O)[O-])cc1C[N@@H+]1CCCC[C@@H]1C(=O)Nc1ccc2c(c1)CCO2 ZINC000738962635 600718499 /nfs/dbraw/zinc/71/84/99/600718499.db2.gz CNZBYNHFWYNEBM-QGZVFWFLSA-N 0 2 384.432 3.214 20 0 GGADLN Cc1oc(C(=O)[O-])cc1C[N@H+]1CCCC[C@@H]1C(=O)Nc1ccc2c(c1)CCO2 ZINC000738962635 600718501 /nfs/dbraw/zinc/71/85/01/600718501.db2.gz CNZBYNHFWYNEBM-QGZVFWFLSA-N 0 2 384.432 3.214 20 0 GGADLN O=C([O-])CC[N@H+](Cn1[nH]c(/C=C\c2ccccc2)nc1=S)C1CCOCC1 ZINC000833236109 600720665 /nfs/dbraw/zinc/72/06/65/600720665.db2.gz MEERIKOFIRVUNH-SREVYHEPSA-N 0 2 388.493 3.024 20 0 GGADLN O=C([O-])CC[N@@H+](Cn1[nH]c(/C=C\c2ccccc2)nc1=S)C1CCOCC1 ZINC000833236109 600720666 /nfs/dbraw/zinc/72/06/66/600720666.db2.gz MEERIKOFIRVUNH-SREVYHEPSA-N 0 2 388.493 3.024 20 0 GGADLN O=C([O-])[C@@H]([NH2+][C@H]1CCCN(c2ccccc2Cl)C1=O)c1ccc(F)cc1 ZINC000833168034 600754845 /nfs/dbraw/zinc/75/48/45/600754845.db2.gz SKXUKEJYYZQMFL-RDJZCZTQSA-N 0 2 376.815 3.390 20 0 GGADLN C[C@H](NC(=O)N1Cc2ccc(C(=O)[O-])cc2C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000827653222 600778344 /nfs/dbraw/zinc/77/83/44/600778344.db2.gz MKVATZMVUQKEFE-AWEZNQCLSA-N 0 2 376.416 3.357 20 0 GGADLN C[C@@H](NC(=O)N1Cc2ccc(C(=O)[O-])cc2C1)c1cccc(-n2cc[nH+]c2)c1 ZINC000827653224 600778474 /nfs/dbraw/zinc/77/84/74/600778474.db2.gz MKVATZMVUQKEFE-CQSZACIVSA-N 0 2 376.416 3.357 20 0 GGADLN C[C@@H](NC(=O)N(C)Cc1ccc(C(=O)[O-])cc1)c1cccc(-n2cc[nH+]c2)c1 ZINC000827645325 600778491 /nfs/dbraw/zinc/77/84/91/600778491.db2.gz JIUHBAYXHKFITB-OAHLLOKOSA-N 0 2 378.432 3.473 20 0 GGADLN O=C([O-])c1ccsc1N1CC[C@H]([N@H+]2CC=C(c3ccc(F)cc3)CC2)C1=O ZINC000833336125 600793052 /nfs/dbraw/zinc/79/30/52/600793052.db2.gz KUXHJHBNCBLOLK-KRWDZBQOSA-N 0 2 386.448 3.480 20 0 GGADLN O=C([O-])c1ccsc1N1CC[C@H]([N@@H+]2CC=C(c3ccc(F)cc3)CC2)C1=O ZINC000833336125 600793054 /nfs/dbraw/zinc/79/30/54/600793054.db2.gz KUXHJHBNCBLOLK-KRWDZBQOSA-N 0 2 386.448 3.480 20 0 GGADLN O=C([O-])CCN(Cc1cccc(F)c1F)C(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC000833234197 600793659 /nfs/dbraw/zinc/79/36/59/600793659.db2.gz OKADSHDJLLOTGI-UHFFFAOYSA-N 0 2 399.397 3.327 20 0 GGADLN C[C@@H](NC(=O)CO[NH+]=C(N)c1cccc(C(=O)[O-])c1)c1ccc2ccccc2c1 ZINC000827636615 600806388 /nfs/dbraw/zinc/80/63/88/600806388.db2.gz MWURRCRENRFLQU-CQSZACIVSA-N 0 2 391.427 3.262 20 0 GGADLN NC(=[NH+]OCc1cccc(C(=O)N2CCCCC2)c1)c1cccc(C(=O)[O-])c1 ZINC000833078929 600807656 /nfs/dbraw/zinc/80/76/56/600807656.db2.gz SYMATGQMCXYJJK-UHFFFAOYSA-N 0 2 381.432 3.058 20 0 GGADLN NC(=[NH+]OCc1ccc(I)cc1)c1cccc(C(=O)[O-])c1 ZINC000833078865 600807695 /nfs/dbraw/zinc/80/76/95/600807695.db2.gz SCIZDRLZAALPKS-UHFFFAOYSA-N 0 2 396.184 3.036 20 0 GGADLN CC[C@@H](NC(=O)CO[NH+]=C(N)c1cccc(C(=O)[O-])c1)c1ccc(Cl)cc1 ZINC000828939656 600808794 /nfs/dbraw/zinc/80/87/94/600808794.db2.gz MGQRLJCFSPDHRQ-MRXNPFEDSA-N 0 2 389.839 3.152 20 0 GGADLN NC(=[NH+]OCC(=O)Nc1ccc(Cl)c(Cl)c1)c1cccc(C(=O)[O-])c1 ZINC000833078097 600809508 /nfs/dbraw/zinc/80/95/08/600809508.db2.gz BZVQPRMSFUARKG-UHFFFAOYSA-N 0 2 382.203 3.177 20 0 GGADLN Cc1csc(N2CC[NH+](CCOc3ccc(C(=O)[O-])cc3Cl)CC2)n1 ZINC000832989885 600818554 /nfs/dbraw/zinc/81/85/54/600818554.db2.gz RPHMSJVGEVMBLA-UHFFFAOYSA-N 0 2 381.885 3.004 20 0 GGADLN CCCC(=O)N[C@H]1CCC[N@H+](Cc2csc(-c3cccc(C(=O)[O-])c3)n2)C1 ZINC000829177229 600822291 /nfs/dbraw/zinc/82/22/91/600822291.db2.gz MVOABQURKIMHIR-INIZCTEOSA-N 0 2 387.505 3.389 20 0 GGADLN CCCC(=O)N[C@H]1CCC[N@@H+](Cc2csc(-c3cccc(C(=O)[O-])c3)n2)C1 ZINC000829177229 600822292 /nfs/dbraw/zinc/82/22/92/600822292.db2.gz MVOABQURKIMHIR-INIZCTEOSA-N 0 2 387.505 3.389 20 0 GGADLN C[C@H]1CN(c2ccc(C(=O)[O-])cc2)CC[N@@H+]1Cc1ccn(-c2ccc(F)cc2)n1 ZINC000828493301 600822295 /nfs/dbraw/zinc/82/22/95/600822295.db2.gz BHFCJJBQGIVNNZ-INIZCTEOSA-N 0 2 394.450 3.420 20 0 GGADLN C[C@H]1CN(c2ccc(C(=O)[O-])cc2)CC[N@H+]1Cc1ccn(-c2ccc(F)cc2)n1 ZINC000828493301 600822297 /nfs/dbraw/zinc/82/22/97/600822297.db2.gz BHFCJJBQGIVNNZ-INIZCTEOSA-N 0 2 394.450 3.420 20 0 GGADLN CC(C)c1[nH+]c2c(n1C)CCN(CCOc1ccc(C(=O)[O-])cc1Cl)C2 ZINC000827153739 600826516 /nfs/dbraw/zinc/82/65/16/600826516.db2.gz XXJMYWMXUOFXTO-UHFFFAOYSA-N 0 2 377.872 3.332 20 0 GGADLN O=C([O-])c1cccc(-c2nc(C[N@@H+]3CCC[C@H](N4CCCC4=O)C3)cs2)c1 ZINC000833326084 600829489 /nfs/dbraw/zinc/82/94/89/600829489.db2.gz HSNYVEYQPHCRBD-KRWDZBQOSA-N 0 2 385.489 3.095 20 0 GGADLN O=C([O-])c1cccc(-c2nc(C[N@H+]3CCC[C@H](N4CCCC4=O)C3)cs2)c1 ZINC000833326084 600829492 /nfs/dbraw/zinc/82/94/92/600829492.db2.gz HSNYVEYQPHCRBD-KRWDZBQOSA-N 0 2 385.489 3.095 20 0 GGADLN C[C@H](c1ccc(Cl)cc1)[NH+]1CCN(Cc2noc(CCCC(=O)[O-])n2)CC1 ZINC000827935265 600837834 /nfs/dbraw/zinc/83/78/34/600837834.db2.gz OOLWSSVVSCGJOC-CQSZACIVSA-N 0 2 392.887 3.009 20 0 GGADLN CCO[C@H](C)c1nc(CN2CC[NH+](Cc3cc(C(=O)[O-])c(C)o3)CC2)cs1 ZINC000829900493 600839213 /nfs/dbraw/zinc/83/92/13/600839213.db2.gz BIXSZHRNUVIJJI-CQSZACIVSA-N 0 2 393.509 3.158 20 0 GGADLN Cc1cc(C[N@@H+]2CCN(C(=O)Cc3cccc(Cl)c3)[C@H](C)C2)oc1C(=O)[O-] ZINC000832882955 600848150 /nfs/dbraw/zinc/84/81/50/600848150.db2.gz ODKUICHCZOLHGX-CQSZACIVSA-N 0 2 390.867 3.215 20 0 GGADLN Cc1cc(C[N@H+]2CCN(C(=O)Cc3cccc(Cl)c3)[C@H](C)C2)oc1C(=O)[O-] ZINC000832882955 600848151 /nfs/dbraw/zinc/84/81/51/600848151.db2.gz ODKUICHCZOLHGX-CQSZACIVSA-N 0 2 390.867 3.215 20 0 GGADLN CCc1ccc(N2CC[NH+]([C@@H](C)C(=O)Nc3cc(C(=O)[O-])ccc3C)CC2)cc1 ZINC000830254032 600850896 /nfs/dbraw/zinc/85/08/96/600850896.db2.gz RVHNPPVRSZYOCB-KRWDZBQOSA-N 0 2 395.503 3.405 20 0 GGADLN O=C([O-])C[C@H]1CN(C(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)c2ccccc21 ZINC000739642314 600855837 /nfs/dbraw/zinc/85/58/37/600855837.db2.gz PBTDQHFJPBNOQT-UWJYYQICSA-N 0 2 396.512 3.382 20 0 GGADLN O=C([O-])c1ccc(C(=O)N2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)cc1 ZINC000647115199 600913023 /nfs/dbraw/zinc/91/30/23/600913023.db2.gz OWJRTDYWJKMNBX-UHFFFAOYSA-N 0 2 392.377 3.362 20 0 GGADLN CC[N@@H+]1CCc2nc3ccccc3c(C(=O)NC[C@@H](CC(C)C)C(=O)[O-])c2C1 ZINC000737122725 600926685 /nfs/dbraw/zinc/92/66/85/600926685.db2.gz MOVSJMRJRARSAY-OAHLLOKOSA-N 0 2 383.492 3.090 20 0 GGADLN CC[N@H+]1CCc2nc3ccccc3c(C(=O)NC[C@@H](CC(C)C)C(=O)[O-])c2C1 ZINC000737122725 600926686 /nfs/dbraw/zinc/92/66/86/600926686.db2.gz MOVSJMRJRARSAY-OAHLLOKOSA-N 0 2 383.492 3.090 20 0 GGADLN CCc1[nH]c(C(=O)N[C@@H](Cc2[nH+]ccn2C)c2ccccc2)c(C)c1C(=O)[O-] ZINC000830190884 600931967 /nfs/dbraw/zinc/93/19/67/600931967.db2.gz DGNGNSJTCSZTLK-INIZCTEOSA-N 0 2 380.448 3.031 20 0 GGADLN CCc1[nH]c(C(=O)N[C@H](Cc2[nH+]ccn2C)c2ccccc2)c(C)c1C(=O)[O-] ZINC000830190885 600932086 /nfs/dbraw/zinc/93/20/86/600932086.db2.gz DGNGNSJTCSZTLK-MRXNPFEDSA-N 0 2 380.448 3.031 20 0 GGADLN CC(C)[C@H](C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000736810888 600933514 /nfs/dbraw/zinc/93/35/14/600933514.db2.gz WTNYGBYAFFGNGR-IIDMSEBBSA-N 0 2 376.497 3.121 20 0 GGADLN CC(C)[C@H](C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000736810892 600933571 /nfs/dbraw/zinc/93/35/71/600933571.db2.gz WTNYGBYAFFGNGR-RVKKMQEKSA-N 0 2 376.497 3.121 20 0 GGADLN CC(C)[C@H](C(=O)Nc1ccc(C(C)(C)C(=O)[O-])cc1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000736810892 600933572 /nfs/dbraw/zinc/93/35/72/600933572.db2.gz WTNYGBYAFFGNGR-RVKKMQEKSA-N 0 2 376.497 3.121 20 0 GGADLN C[C@H](NC(=O)Cn1cc(C(=O)[O-])c2ccccc21)c1cccc(-n2cc[nH+]c2)c1 ZINC000827638033 600935975 /nfs/dbraw/zinc/93/59/75/600935975.db2.gz ZVIMSPOUNIVXBT-HNNXBMFYSA-N 0 2 388.427 3.403 20 0 GGADLN O=C([O-])c1ccnc(NC(=O)C[NH+](Cc2ccccc2)Cc2ccccc2)c1 ZINC000833106256 600954324 /nfs/dbraw/zinc/95/43/24/600954324.db2.gz ILTHGOHBQPCSJD-UHFFFAOYSA-N 0 2 375.428 3.421 20 0 GGADLN CCc1nc(C)c([C@H](C)[N@H+](C)CC(=O)NCc2ccc(NC(=O)[O-])cc2)s1 ZINC000737281305 600966020 /nfs/dbraw/zinc/96/60/20/600966020.db2.gz IECXDBBVBHJLKU-ZDUSSCGKSA-N 0 2 390.509 3.413 20 0 GGADLN CCc1nc(C)c([C@H](C)[N@@H+](C)CC(=O)NCc2ccc(NC(=O)[O-])cc2)s1 ZINC000737281305 600966022 /nfs/dbraw/zinc/96/60/22/600966022.db2.gz IECXDBBVBHJLKU-ZDUSSCGKSA-N 0 2 390.509 3.413 20 0 GGADLN O=C([O-])[C@@H](c1ccc(Cl)cc1Cl)N1CC[NH+](Cc2ccccn2)CC1 ZINC000833172031 600984363 /nfs/dbraw/zinc/98/43/63/600984363.db2.gz QMOCLTNHDCNDDI-QGZVFWFLSA-N 0 2 380.275 3.332 20 0 GGADLN Cc1cccc(Cc2cnc(NC(=O)C[NH2+][C@H](C(=O)[O-])c3ccccc3)s2)c1 ZINC000832966946 600997127 /nfs/dbraw/zinc/99/71/27/600997127.db2.gz HNSABLFBFSBFSM-IBGZPJMESA-N 0 2 395.484 3.396 20 0 GGADLN O=C([O-])[C@@H]([NH2+]CC(=O)Nc1ncc(Cc2ccc(F)cc2)s1)c1ccccc1 ZINC000833109911 600997183 /nfs/dbraw/zinc/99/71/83/600997183.db2.gz CTKJITMREIRDJY-SFHVURJKSA-N 0 2 399.447 3.227 20 0 GGADLN O=C([O-])[C@H](CNC(=O)Nc1nc(C[NH+]2CCCCC2)cs1)c1ccccc1 ZINC000833136193 600999149 /nfs/dbraw/zinc/99/91/49/600999149.db2.gz XOHCQXIXHCSUAN-MRXNPFEDSA-N 0 2 388.493 3.119 20 0 GGADLN CC[C@]([NH2+]CC(=O)N(C)c1nc2ccccc2s1)(C(=O)[O-])c1ccccc1 ZINC000828983659 601003360 /nfs/dbraw/zinc/00/33/60/601003360.db2.gz ZIUYDEJWDGJQLT-HXUWFJFHSA-N 0 2 383.473 3.239 20 0 GGADLN CN(C(=O)C[NH2+][C@](C)(C(=O)[O-])c1cccc(Br)c1)C1CCCCC1 ZINC000830486284 601006211 /nfs/dbraw/zinc/00/62/11/601006211.db2.gz XUQUEKCZRJZTTB-SFHVURJKSA-N 0 2 397.313 3.130 20 0 GGADLN CN(C)c1ccc([NH+]2CCC(NC(=O)Nc3cccc(C(=O)[O-])c3)CC2)cc1 ZINC000830639754 601008830 /nfs/dbraw/zinc/00/88/30/601008830.db2.gz OZKSPCWDRAOTJA-UHFFFAOYSA-N 0 2 382.464 3.241 20 0 GGADLN CC[C@@](C)([NH2+]CC(=O)Nc1sc2c(c1C(=O)[O-])CCC2)c1nccs1 ZINC000828691719 601015699 /nfs/dbraw/zinc/01/56/99/601015699.db2.gz CGJYWSHTMWPMSR-QGZVFWFLSA-N 0 2 379.507 3.245 20 0 GGADLN CC(C)C[C@H](CNC(=O)Nc1ccccc1C[NH+]1C[C@H](C)O[C@@H](C)C1)C(=O)[O-] ZINC000424464417 601019155 /nfs/dbraw/zinc/01/91/55/601019155.db2.gz DGYQFUXVHVUCLF-XYJFISCASA-N 0 2 391.512 3.164 20 0 GGADLN O=C([O-])C[C@@H]1CSCC[N@@H+]1CC(=O)Nc1ccccc1Oc1ccccc1 ZINC000833221334 601026392 /nfs/dbraw/zinc/02/63/92/601026392.db2.gz JEVCPBLSVVOGHG-OAHLLOKOSA-N 0 2 386.473 3.310 20 0 GGADLN O=C([O-])C[C@@H]1CSCC[N@H+]1CC(=O)Nc1ccccc1Oc1ccccc1 ZINC000833221334 601026396 /nfs/dbraw/zinc/02/63/96/601026396.db2.gz JEVCPBLSVVOGHG-OAHLLOKOSA-N 0 2 386.473 3.310 20 0 GGADLN Cn1cc[nH+]c1C[C@H](NC(=O)Nc1ccc(F)c(C(=O)[O-])c1)c1ccccc1 ZINC000833058716 601026960 /nfs/dbraw/zinc/02/69/60/601026960.db2.gz SEJRBWDWIVXUIV-KRWDZBQOSA-N 0 2 382.395 3.363 20 0 GGADLN CC(C)c1nc(CN(C)[C@H]2CC[N@@H+]([C@@H](C(=O)[O-])c3cccc(Cl)c3)C2)no1 ZINC000827153755 601028041 /nfs/dbraw/zinc/02/80/41/601028041.db2.gz YMITYRBBOOSFJM-DOTOQJQBSA-N 0 2 392.887 3.178 20 0 GGADLN CC(C)c1nc(CN(C)[C@H]2CC[N@H+]([C@@H](C(=O)[O-])c3cccc(Cl)c3)C2)no1 ZINC000827153755 601028046 /nfs/dbraw/zinc/02/80/46/601028046.db2.gz YMITYRBBOOSFJM-DOTOQJQBSA-N 0 2 392.887 3.178 20 0 GGADLN CC(C)c1nc(CN(C)[C@H]2CC[N@@H+]([C@H](C(=O)[O-])c3cccc(Cl)c3)C2)no1 ZINC000827153757 601028159 /nfs/dbraw/zinc/02/81/59/601028159.db2.gz YMITYRBBOOSFJM-RDJZCZTQSA-N 0 2 392.887 3.178 20 0 GGADLN CC(C)c1nc(CN(C)[C@H]2CC[N@H+]([C@H](C(=O)[O-])c3cccc(Cl)c3)C2)no1 ZINC000827153757 601028163 /nfs/dbraw/zinc/02/81/63/601028163.db2.gz YMITYRBBOOSFJM-RDJZCZTQSA-N 0 2 392.887 3.178 20 0 GGADLN CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)Nc1ccc(CC(=O)[O-])cc1 ZINC000829692619 601031760 /nfs/dbraw/zinc/03/17/60/601031760.db2.gz MCOQIHNYDRHHEP-UHFFFAOYSA-N 0 2 396.491 3.479 20 0 GGADLN CC(C)n1c2ccccc2nc1[C@@H]1CCC[N@@H+]1CC(=O)N1CCC(C(=O)[O-])CC1 ZINC000554613937 601044342 /nfs/dbraw/zinc/04/43/42/601044342.db2.gz UEUPQGLOPURWEA-IBGZPJMESA-N 0 2 398.507 3.077 20 0 GGADLN CC(C)n1c2ccccc2nc1[C@@H]1CCC[N@H+]1CC(=O)N1CCC(C(=O)[O-])CC1 ZINC000554613937 601044348 /nfs/dbraw/zinc/04/43/48/601044348.db2.gz UEUPQGLOPURWEA-IBGZPJMESA-N 0 2 398.507 3.077 20 0 GGADLN CC(C)n1c2ccccc2nc1[C@H]1CCC[N@@H+]1CC(=O)N1CCC(C(=O)[O-])CC1 ZINC000554613938 601044466 /nfs/dbraw/zinc/04/44/66/601044466.db2.gz UEUPQGLOPURWEA-LJQANCHMSA-N 0 2 398.507 3.077 20 0 GGADLN CC(C)n1c2ccccc2nc1[C@H]1CCC[N@H+]1CC(=O)N1CCC(C(=O)[O-])CC1 ZINC000554613938 601044468 /nfs/dbraw/zinc/04/44/68/601044468.db2.gz UEUPQGLOPURWEA-LJQANCHMSA-N 0 2 398.507 3.077 20 0 GGADLN O=C([O-])[C@@H]1C[C@@H](C2CCCCC2)CN1C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000833179981 601079750 /nfs/dbraw/zinc/07/97/50/601079750.db2.gz RHSBWYSEJDSLJW-UXHICEINSA-N 0 2 381.476 3.427 20 0 GGADLN C[C@@H](C[N@@H+](Cc1ccccc1)Cn1nc(-c2ccncc2)n(C)c1=S)C(=O)[O-] ZINC000736580558 601088434 /nfs/dbraw/zinc/08/84/34/601088434.db2.gz DEAUGVBLCRIHCO-HNNXBMFYSA-N 0 2 397.504 3.193 20 0 GGADLN C[C@@H](C[N@H+](Cc1ccccc1)Cn1nc(-c2ccncc2)n(C)c1=S)C(=O)[O-] ZINC000736580558 601088438 /nfs/dbraw/zinc/08/84/38/601088438.db2.gz DEAUGVBLCRIHCO-HNNXBMFYSA-N 0 2 397.504 3.193 20 0 GGADLN C[C@H](C[N@@H+](Cc1ccccc1)Cn1nc(-c2cccnc2)n(C)c1=S)C(=O)[O-] ZINC000736581515 601088922 /nfs/dbraw/zinc/08/89/22/601088922.db2.gz IEICPSMJIVYKFH-OAHLLOKOSA-N 0 2 397.504 3.193 20 0 GGADLN C[C@H](C[N@H+](Cc1ccccc1)Cn1nc(-c2cccnc2)n(C)c1=S)C(=O)[O-] ZINC000736581515 601088926 /nfs/dbraw/zinc/08/89/26/601088926.db2.gz IEICPSMJIVYKFH-OAHLLOKOSA-N 0 2 397.504 3.193 20 0 GGADLN C[C@H](C[N@@H+](Cc1ccccc1)Cn1nc(-c2ccccc2)ccc1=O)C(=O)[O-] ZINC000736584331 601089740 /nfs/dbraw/zinc/08/97/40/601089740.db2.gz VNXXMXHYPWAXTE-QGZVFWFLSA-N 0 2 377.444 3.091 20 0 GGADLN C[C@H](C[N@H+](Cc1ccccc1)Cn1nc(-c2ccccc2)ccc1=O)C(=O)[O-] ZINC000736584331 601089743 /nfs/dbraw/zinc/08/97/43/601089743.db2.gz VNXXMXHYPWAXTE-QGZVFWFLSA-N 0 2 377.444 3.091 20 0 GGADLN C[C@@H](C[N@@H+](Cc1ccccc1)Cn1nc(-c2ccccc2F)ccc1=O)C(=O)[O-] ZINC000736584877 601089938 /nfs/dbraw/zinc/08/99/38/601089938.db2.gz YRZLFTUOECQIDU-INIZCTEOSA-N 0 2 395.434 3.230 20 0 GGADLN C[C@@H](C[N@H+](Cc1ccccc1)Cn1nc(-c2ccccc2F)ccc1=O)C(=O)[O-] ZINC000736584877 601089941 /nfs/dbraw/zinc/08/99/41/601089941.db2.gz YRZLFTUOECQIDU-INIZCTEOSA-N 0 2 395.434 3.230 20 0 GGADLN Cn1cccc1[C@H]1CCCC[N@@H+]1CC(=O)Nc1sc2c(c1C(=O)[O-])CCC2 ZINC000833059588 601118971 /nfs/dbraw/zinc/11/89/71/601118971.db2.gz TWEKQBZQPWBTAJ-OAHLLOKOSA-N 0 2 387.505 3.439 20 0 GGADLN Cn1cccc1[C@H]1CCCC[N@H+]1CC(=O)Nc1sc2c(c1C(=O)[O-])CCC2 ZINC000833059588 601118972 /nfs/dbraw/zinc/11/89/72/601118972.db2.gz TWEKQBZQPWBTAJ-OAHLLOKOSA-N 0 2 387.505 3.439 20 0 GGADLN O=C([O-])[C@@H]1CCC[C@@H](C(=O)N2CC[NH+](Cc3ccc(C(F)(F)F)cc3)CC2)C1 ZINC000739568913 601126345 /nfs/dbraw/zinc/12/63/45/601126345.db2.gz RDFCSERSFMYCGD-HZPDHXFCSA-N 0 2 398.425 3.241 20 0 GGADLN Cc1cccn2cc(CCNC(=O)Nc3ccc(C(C)(C)C(=O)[O-])cc3)[nH+]c12 ZINC000832982305 601135719 /nfs/dbraw/zinc/13/57/19/601135719.db2.gz ZMWTWKCJYJBIOI-UHFFFAOYSA-N 0 2 380.448 3.369 20 0 GGADLN Cc1cc(N2CCN(C(=O)Nc3ccc(C)c(C(=O)[O-])c3)CC2)nc(C(C)C)[nH+]1 ZINC000832891536 601144981 /nfs/dbraw/zinc/14/49/81/601144981.db2.gz XWFCGWXAJHWATI-UHFFFAOYSA-N 0 2 397.479 3.269 20 0 GGADLN CC(=O)N(c1nc(C[N@@H+]2CC[C@@H](C(=O)[O-])C2)cs1)c1ccc(Cl)cc1 ZINC000817695068 601149439 /nfs/dbraw/zinc/14/94/39/601149439.db2.gz UMYVSHMBRPUSAS-GFCCVEGCSA-N 0 2 379.869 3.388 20 0 GGADLN CC(=O)N(c1nc(C[N@H+]2CC[C@@H](C(=O)[O-])C2)cs1)c1ccc(Cl)cc1 ZINC000817695068 601149441 /nfs/dbraw/zinc/14/94/41/601149441.db2.gz UMYVSHMBRPUSAS-GFCCVEGCSA-N 0 2 379.869 3.388 20 0 GGADLN CN1C(=O)N[C@H](c2ccccc2)C(C(=O)[O-])=C1C[N@@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000830908690 601182894 /nfs/dbraw/zinc/18/28/94/601182894.db2.gz ZVHDTISEAHHOLA-YLJYHZDGSA-N 0 2 395.434 3.308 20 0 GGADLN CN1C(=O)N[C@H](c2ccccc2)C(C(=O)[O-])=C1C[N@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000830908690 601182896 /nfs/dbraw/zinc/18/28/96/601182896.db2.gz ZVHDTISEAHHOLA-YLJYHZDGSA-N 0 2 395.434 3.308 20 0 GGADLN Cc1ccc2[nH+]c(CSCC(=O)NC3(CC(=O)[O-])CCCCC3)cn2c1 ZINC000595998796 601185812 /nfs/dbraw/zinc/18/58/12/601185812.db2.gz FIWOBIBGNBWGMN-UHFFFAOYSA-N 0 2 375.494 3.170 20 0 GGADLN O=C([O-])c1ccc(N2CCCC2)c(NC(=O)N2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000833318240 601192382 /nfs/dbraw/zinc/19/23/82/601192382.db2.gz KSRCMICNBZKYST-UHFFFAOYSA-N 0 2 383.452 3.120 20 0 GGADLN Cc1c(Br)c(C(=O)[O-])nn1C[N@H+]1CCSC2(CCCCC2)C1 ZINC000832849379 601230395 /nfs/dbraw/zinc/23/03/95/601230395.db2.gz YOWAQRDRSLSFJO-UHFFFAOYSA-N 0 2 388.331 3.361 20 0 GGADLN Cc1c(Br)c(C(=O)[O-])nn1C[N@@H+]1CCSC2(CCCCC2)C1 ZINC000832849379 601230394 /nfs/dbraw/zinc/23/03/94/601230394.db2.gz YOWAQRDRSLSFJO-UHFFFAOYSA-N 0 2 388.331 3.361 20 0 GGADLN Cc1cc(C(=O)[O-])cc(S(=O)(=O)N[C@H](C)c2cccc(-n3cc[nH+]c3)c2)c1C ZINC000544941771 601255579 /nfs/dbraw/zinc/25/55/79/601255579.db2.gz BZDBMTDODCHFKS-OAHLLOKOSA-N 0 2 399.472 3.227 20 0 GGADLN O=C([O-])COc1ccc(NC(=O)[C@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)cc1 ZINC000833255378 601276212 /nfs/dbraw/zinc/27/62/12/601276212.db2.gz FLUIHTDQKRVLBO-LJQANCHMSA-N 0 2 386.423 3.282 20 0 GGADLN O=C([O-])COc1ccc(NC(=O)[C@H]2CCCC[N@H+]2Cc2ccc(F)cc2)cc1 ZINC000833255378 601276214 /nfs/dbraw/zinc/27/62/14/601276214.db2.gz FLUIHTDQKRVLBO-LJQANCHMSA-N 0 2 386.423 3.282 20 0 GGADLN O=C([O-])COc1ccc(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2ccc(F)cc2)cc1 ZINC000833255374 601276293 /nfs/dbraw/zinc/27/62/93/601276293.db2.gz FLUIHTDQKRVLBO-IBGZPJMESA-N 0 2 386.423 3.282 20 0 GGADLN O=C([O-])COc1ccc(NC(=O)[C@@H]2CCCC[N@H+]2Cc2ccc(F)cc2)cc1 ZINC000833255374 601276296 /nfs/dbraw/zinc/27/62/96/601276296.db2.gz FLUIHTDQKRVLBO-IBGZPJMESA-N 0 2 386.423 3.282 20 0 GGADLN Cc1ccc(C(=O)[O-])cc1NC(=O)C[N@@H+](C)[C@H](C)c1ccc([S@@](C)=O)cc1 ZINC000832915545 601355840 /nfs/dbraw/zinc/35/58/40/601355840.db2.gz KDFHTHLULNDPDT-LOKFHWFJSA-N 0 2 388.489 3.062 20 0 GGADLN Cc1ccc(C(=O)[O-])cc1NC(=O)C[N@H+](C)[C@H](C)c1ccc([S@@](C)=O)cc1 ZINC000832915545 601355843 /nfs/dbraw/zinc/35/58/43/601355843.db2.gz KDFHTHLULNDPDT-LOKFHWFJSA-N 0 2 388.489 3.062 20 0 GGADLN O=C([O-])c1cc(S(=O)(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)ccc1F ZINC000738679451 601358334 /nfs/dbraw/zinc/35/83/34/601358334.db2.gz UZGNFTRGTDHXMG-UHFFFAOYSA-N 0 2 395.799 3.164 20 0 GGADLN Cc1cc(C(=O)C[N@H+](CC(=O)[O-])C2CCOCC2)c(C)n1CCc1ccccc1 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386.452 3.071 20 0 GGADLN C[C@H](c1cccc(NC(=O)N2CCC(CCC(=O)[O-])CC2)c1)[NH+]1CCOCC1 ZINC000656602143 601486265 /nfs/dbraw/zinc/48/62/65/601486265.db2.gz JVPGZMDNGBYGBV-MRXNPFEDSA-N 0 2 389.496 3.189 20 0 GGADLN Cc1cc(C(=O)NCc2cc[nH+]c(N3CCCCC3)c2)cc(C)c1OCC(=O)[O-] ZINC000832864295 601534737 /nfs/dbraw/zinc/53/47/37/601534737.db2.gz ACQUQZBFVPHCOJ-UHFFFAOYSA-N 0 2 397.475 3.082 20 0 GGADLN Cc1cc(C(=O)Nc2ccc(-n3cc[nH+]c3)c(F)c2)cc(C)c1OCC(=O)[O-] ZINC000832864788 601536008 /nfs/dbraw/zinc/53/60/08/601536008.db2.gz IDEGZSCFYWLRST-UHFFFAOYSA-N 0 2 383.379 3.344 20 0 GGADLN Cc1cc(C(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)cc(C)c1OCC(=O)[O-] ZINC000832864402 601536717 /nfs/dbraw/zinc/53/67/17/601536717.db2.gz ZPQVPEWGGDOYLB-UHFFFAOYSA-N 0 2 397.406 3.022 20 0 GGADLN COc1cc2c(cc1OC)[C@H](CC(=O)[O-])[N@H+](Cc1nc(C)c(C)s1)CC2 ZINC000570933356 601545741 /nfs/dbraw/zinc/54/57/41/601545741.db2.gz GILUBMVKVDELNF-HNNXBMFYSA-N 0 2 376.478 3.351 20 0 GGADLN COc1cc2c(cc1OC)[C@H](CC(=O)[O-])[N@@H+](Cc1nc(C)c(C)s1)CC2 ZINC000570933356 601545742 /nfs/dbraw/zinc/54/57/42/601545742.db2.gz GILUBMVKVDELNF-HNNXBMFYSA-N 0 2 376.478 3.351 20 0 GGADLN O=C([O-])[C@H]1c2ccccc2CC[N@H+]1Cc1nc(=O)c2c3c(sc2[nH]1)CCC3 ZINC000662238235 601547459 /nfs/dbraw/zinc/54/74/59/601547459.db2.gz QYSLSMCPOJZOFD-QGZVFWFLSA-N 0 2 381.457 3.070 20 0 GGADLN O=C([O-])[C@H]1c2ccccc2CC[N@@H+]1Cc1nc(=O)c2c3c(sc2[nH]1)CCC3 ZINC000662238235 601547460 /nfs/dbraw/zinc/54/74/60/601547460.db2.gz QYSLSMCPOJZOFD-QGZVFWFLSA-N 0 2 381.457 3.070 20 0 GGADLN O=C([O-])[C@@]1(F)CC[N@H+](CC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000833104922 601552440 /nfs/dbraw/zinc/55/24/40/601552440.db2.gz GAONDRQWFKGFQK-WMLDXEAASA-N 0 2 389.254 3.156 20 0 GGADLN O=C([O-])[C@@]1(F)CC[N@@H+](CC(=O)N2CCC[C@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000833104922 601552442 /nfs/dbraw/zinc/55/24/42/601552442.db2.gz GAONDRQWFKGFQK-WMLDXEAASA-N 0 2 389.254 3.156 20 0 GGADLN O=C([O-])[C@@]1(F)CC[N@H+](CC(=O)N[C@@H](c2ccccc2)c2cccc(Cl)c2)C1 ZINC000833104439 601553083 /nfs/dbraw/zinc/55/30/83/601553083.db2.gz BSCPRZMUKZYGIU-AZUAARDMSA-N 0 2 390.842 3.044 20 0 GGADLN O=C([O-])[C@@]1(F)CC[N@@H+](CC(=O)N[C@@H](c2ccccc2)c2cccc(Cl)c2)C1 ZINC000833104439 601553085 /nfs/dbraw/zinc/55/30/85/601553085.db2.gz BSCPRZMUKZYGIU-AZUAARDMSA-N 0 2 390.842 3.044 20 0 GGADLN O=C([O-])[C@]1(F)CC[N@H+](CC(=O)N[C@@H](c2ccccc2)c2cccc(Cl)c2)C1 ZINC000833104443 601553298 /nfs/dbraw/zinc/55/32/98/601553298.db2.gz BSCPRZMUKZYGIU-ICSRJNTNSA-N 0 2 390.842 3.044 20 0 GGADLN O=C([O-])[C@]1(F)CC[N@@H+](CC(=O)N[C@@H](c2ccccc2)c2cccc(Cl)c2)C1 ZINC000833104443 601553300 /nfs/dbraw/zinc/55/33/00/601553300.db2.gz BSCPRZMUKZYGIU-ICSRJNTNSA-N 0 2 390.842 3.044 20 0 GGADLN Cc1[nH]c(C(=O)C[N@@H+]2CC[C@H](OCCCc3ccccc3)C2)c(C)c1C(=O)[O-] ZINC000832843850 601583774 /nfs/dbraw/zinc/58/37/74/601583774.db2.gz HUNJDRBFDDJILT-SFHVURJKSA-N 0 2 384.476 3.236 20 0 GGADLN Cc1[nH]c(C(=O)C[N@H+]2CC[C@H](OCCCc3ccccc3)C2)c(C)c1C(=O)[O-] ZINC000832843850 601583776 /nfs/dbraw/zinc/58/37/76/601583776.db2.gz HUNJDRBFDDJILT-SFHVURJKSA-N 0 2 384.476 3.236 20 0 GGADLN Cc1sc(C(=O)[O-])cc1C[NH+]1CCN(C(=O)c2ccc(Cl)cc2)CC1 ZINC000833033069 601618102 /nfs/dbraw/zinc/61/81/02/601618102.db2.gz UHERRCXZVWDGKM-UHFFFAOYSA-N 0 2 378.881 3.366 20 0 GGADLN COc1cc(C(=O)N2CC[NH+](Cc3cc(C(=O)[O-])sc3C)CC2)ccc1C ZINC000831866553 601620069 /nfs/dbraw/zinc/62/00/69/601620069.db2.gz SBEVGSIADYISOI-UHFFFAOYSA-N 0 2 388.489 3.030 20 0 GGADLN Cc1sc(C(=O)[O-])cc1C[NH+]1CCN(C(=O)c2ccc(C)c(F)c2)CC1 ZINC000832910846 601620102 /nfs/dbraw/zinc/62/01/02/601620102.db2.gz GLUOBLOFSRBZNW-UHFFFAOYSA-N 0 2 376.453 3.160 20 0 GGADLN Cc1sc(C(=O)[O-])cc1C[NH+]1CCN(C(=O)N(C)Cc2ccccc2)CC1 ZINC000833033276 601620372 /nfs/dbraw/zinc/62/03/72/601620372.db2.gz YEZBUEBDRDOQOB-UHFFFAOYSA-N 0 2 387.505 3.124 20 0 GGADLN Cc1sc(C(=O)[O-])cc1C[NH+]1CCN(C(=O)Cc2ccccc2Cl)CC1 ZINC000833032453 601622653 /nfs/dbraw/zinc/62/26/53/601622653.db2.gz GABSLLOSZJNHRB-UHFFFAOYSA-N 0 2 392.908 3.295 20 0 GGADLN COc1c(C)c[nH+]c(CN(C)C(=O)c2cc(C)c(OCC(=O)[O-])c(C)c2)c1C ZINC000831847902 601679227 /nfs/dbraw/zinc/67/92/27/601679227.db2.gz VBMLXZWHSMNVMM-UHFFFAOYSA-N 0 2 386.448 3.059 20 0 GGADLN C[NH+](C)[C@@H](C(=O)Nc1nc(CCCC(=O)[O-])cs1)c1cccc(Cl)c1 ZINC000830579915 601785320 /nfs/dbraw/zinc/78/53/20/601785320.db2.gz CYZQZZIXUUKBNV-OAHLLOKOSA-N 0 2 381.885 3.445 20 0 GGADLN Cc1ccc2[nH+]c(CSCC(=O)N[C@@H](C(=O)[O-])C3CCCCC3)cn2c1 ZINC000832959594 601787464 /nfs/dbraw/zinc/78/74/64/601787464.db2.gz IXMGEGYWOWCJQZ-GOSISDBHSA-N 0 2 375.494 3.026 20 0 GGADLN C[C@@H]1C[N@H+](Cn2nc(-c3ccco3)n(Cc3ccccc3)c2=S)C[C@H]1C(=O)[O-] ZINC000828461593 601816415 /nfs/dbraw/zinc/81/64/15/601816415.db2.gz ANDOAQMRQNEFKC-GDBMZVCRSA-N 0 2 398.488 3.332 20 0 GGADLN C[C@@H]1C[N@@H+](Cn2nc(-c3ccco3)n(Cc3ccccc3)c2=S)C[C@H]1C(=O)[O-] ZINC000828461593 601816417 /nfs/dbraw/zinc/81/64/17/601816417.db2.gz ANDOAQMRQNEFKC-GDBMZVCRSA-N 0 2 398.488 3.332 20 0 GGADLN C[C@@H]1C[N@H+](Cn2nc(-c3ccccc3F)n(C3CC3)c2=S)C[C@H]1C(=O)[O-] ZINC000828462122 601816582 /nfs/dbraw/zinc/81/65/82/601816582.db2.gz HBADUJXKWZRRKF-BXUZGUMPSA-N 0 2 376.457 3.165 20 0 GGADLN C[C@@H]1C[N@@H+](Cn2nc(-c3ccccc3F)n(C3CC3)c2=S)C[C@H]1C(=O)[O-] ZINC000828462122 601816583 /nfs/dbraw/zinc/81/65/83/601816583.db2.gz HBADUJXKWZRRKF-BXUZGUMPSA-N 0 2 376.457 3.165 20 0 GGADLN C[C@H]1C[N@H+](Cn2nc(-c3cccc(Br)c3)oc2=S)C[C@H]1C(=O)[O-] ZINC000828461533 601817107 /nfs/dbraw/zinc/81/71/07/601817107.db2.gz ACROWNVVRJSUCW-JOYOIKCWSA-N 0 2 398.282 3.245 20 0 GGADLN C[C@H]1C[N@@H+](Cn2nc(-c3cccc(Br)c3)oc2=S)C[C@H]1C(=O)[O-] ZINC000828461533 601817108 /nfs/dbraw/zinc/81/71/08/601817108.db2.gz ACROWNVVRJSUCW-JOYOIKCWSA-N 0 2 398.282 3.245 20 0 GGADLN C[C@H]1C[N@H+](Cn2nc(-c3ccncc3)n(-c3ccccc3)c2=S)C[C@H]1C(=O)[O-] ZINC000828461918 601818777 /nfs/dbraw/zinc/81/87/77/601818777.db2.gz FFLZKXCBILOFGY-WMLDXEAASA-N 0 2 395.488 3.075 20 0 GGADLN C[C@H]1C[N@@H+](Cn2nc(-c3ccncc3)n(-c3ccccc3)c2=S)C[C@H]1C(=O)[O-] ZINC000828461918 601818779 /nfs/dbraw/zinc/81/87/79/601818779.db2.gz FFLZKXCBILOFGY-WMLDXEAASA-N 0 2 395.488 3.075 20 0 GGADLN C[C@@H]1C[N@H+](Cn2nc(-c3ccccc3Br)oc2=S)C[C@H]1C(=O)[O-] ZINC000828465329 601819546 /nfs/dbraw/zinc/81/95/46/601819546.db2.gz WZTLFTVKROOEGU-MWLCHTKSSA-N 0 2 398.282 3.245 20 0 GGADLN C[C@@H]1C[N@@H+](Cn2nc(-c3ccccc3Br)oc2=S)C[C@H]1C(=O)[O-] ZINC000828465329 601819547 /nfs/dbraw/zinc/81/95/47/601819547.db2.gz WZTLFTVKROOEGU-MWLCHTKSSA-N 0 2 398.282 3.245 20 0 GGADLN C[C@H]1C[N@H+](Cn2nc(Cc3c(F)cccc3Cl)oc2=S)C[C@H]1C(=O)[O-] ZINC000828471625 601820396 /nfs/dbraw/zinc/82/03/96/601820396.db2.gz NHHLCXXVJGWWQW-GXSJLCMTSA-N 0 2 385.848 3.199 20 0 GGADLN C[C@H]1C[N@@H+](Cn2nc(Cc3c(F)cccc3Cl)oc2=S)C[C@H]1C(=O)[O-] ZINC000828471625 601820398 /nfs/dbraw/zinc/82/03/98/601820398.db2.gz NHHLCXXVJGWWQW-GXSJLCMTSA-N 0 2 385.848 3.199 20 0 GGADLN O=C([O-])c1sccc1C[NH+]1CCN(C(=O)c2ccc(Cl)cc2F)CC1 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MHNCPGIDOSHRFA-UHFFFAOYSA-N 0 2 382.441 3.484 20 0 GGADLN O=C([O-])c1cccc(CS(=O)(=O)N(Cc2ccccc2)c2cc[nH+]cc2)c1 ZINC000833329966 602396892 /nfs/dbraw/zinc/39/68/92/602396892.db2.gz XHBWQDRVSQNAEI-UHFFFAOYSA-N 0 2 382.441 3.316 20 0 GGADLN O=C([O-])Cc1ccc(S(=O)(=O)N(Cc2ccccc2)c2cc[nH+]cc2)cc1 ZINC000833267252 602401469 /nfs/dbraw/zinc/40/14/69/602401469.db2.gz SGLQTPXQAKIFRV-UHFFFAOYSA-N 0 2 382.441 3.104 20 0 GGADLN C[C@@H](C(=O)Nc1ccc(NC(=O)[O-])cc1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000736218129 602591154 /nfs/dbraw/zinc/59/11/54/602591154.db2.gz KTEBEKCNUBDZCD-AWEZNQCLSA-N 0 2 386.427 3.065 20 0 GGADLN C[C@H](C(=O)Nc1ccc(NC(=O)[O-])cc1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000736218130 602591222 /nfs/dbraw/zinc/59/12/22/602591222.db2.gz KTEBEKCNUBDZCD-CQSZACIVSA-N 0 2 386.427 3.065 20 0 GGADLN O=C([O-])C1CCC(NC(=O)N[C@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)CC1 ZINC000263454563 604275729 /nfs/dbraw/zinc/27/57/29/604275729.db2.gz GZJQSXQSIGOIOH-VHZYLWGESA-N 0 2 382.464 3.054 20 0 GGADLN CCc1ccc(C[NH+]2CCN(C(=O)c3ccc(C(=O)[O-])c(F)c3)CC2)s1 ZINC000830249512 604282901 /nfs/dbraw/zinc/28/29/01/604282901.db2.gz IEAGYVGURYAIBZ-UHFFFAOYSA-N 0 2 376.453 3.106 20 0 GGADLN C[C@H]1C[NH+](Cc2ccccc2NC(=O)c2ccc(C(=O)[O-])c(F)c2)C[C@H](C)O1 ZINC000828461994 604283913 /nfs/dbraw/zinc/28/39/13/604283913.db2.gz FYCFQGWQDIPBPR-KBPBESRZSA-N 0 2 386.423 3.385 20 0 GGADLN O=C([O-])[C@@H](c1cccc(Cl)c1)N1CC[NH+](C[C@H]2CC2(Cl)Cl)CC1 ZINC000833173745 604357719 /nfs/dbraw/zinc/35/77/19/604357719.db2.gz VMOVNPFWUSJDRD-TZMCWYRMSA-N 0 2 377.699 3.277 20 0 GGADLN Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)Nc1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000832847703 604366872 /nfs/dbraw/zinc/36/68/72/604366872.db2.gz YSTAEKJLIOFGRA-UHFFFAOYSA-N 0 2 376.482 3.270 20 0 GGADLN Cc1cc([C@@H](C)[NH+]2CCN(C(=O)Cc3c[nH]c4ccccc34)CC2)oc1C(=O)[O-] ZINC000832870806 604384604 /nfs/dbraw/zinc/38/46/04/604384604.db2.gz MHHHMKZIHOVQJP-OAHLLOKOSA-N 0 2 395.459 3.215 20 0 GGADLN COC(=O)c1ccc2c(c1)C[N@@H+](CC[C@H](C)N1Cc3ccc(C(=O)[O-])cc3C1)C2 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CQDRRQCUKVBNHW-FQEVSTJZSA-N 0 2 383.444 3.390 20 0 GGADLN O=C([O-])c1cccc(NC2CCN(C(=O)Nc3ccc4[nH+]ccn4c3)CC2)c1 ZINC000833332370 604474785 /nfs/dbraw/zinc/47/47/85/604474785.db2.gz RRSGGYXMVPIJFU-UHFFFAOYSA-N 0 2 379.420 3.141 20 0 GGADLN COC(=O)[C@@H](c1cccc(C(=O)[O-])c1)[NH+]1CCC(OC2CCCCC2)CC1 ZINC000833702582 604475500 /nfs/dbraw/zinc/47/55/00/604475500.db2.gz VPCYSBQEPQMHPF-LJQANCHMSA-N 0 2 375.465 3.413 20 0 GGADLN COC(=O)[C@H](c1cccc(C(=O)[O-])c1)[NH+]1CCC(c2cccc(OC)c2)CC1 ZINC000833702791 604475875 /nfs/dbraw/zinc/47/58/75/604475875.db2.gz ZVFCQGRNIHELCC-FQEVSTJZSA-N 0 2 383.444 3.487 20 0 GGADLN COC(=O)[C@H](c1cccc(C(=O)[O-])c1)[NH+]1CCC2(CC1)OCc1ccccc12 ZINC000833701010 604478437 /nfs/dbraw/zinc/47/84/37/604478437.db2.gz FZFPBZOJLDDDGO-IBGZPJMESA-N 0 2 381.428 3.120 20 0 GGADLN COc1cccc([C@H](C)[NH+]2CCN(C(=O)Nc3cc(C(=O)[O-])cs3)CC2)c1 ZINC000832534450 604507475 /nfs/dbraw/zinc/50/74/75/604507475.db2.gz YKXZJOYFAOZCIK-ZDUSSCGKSA-N 0 2 389.477 3.366 20 0 GGADLN C[C@H]1CCc2c(sc(NC(=O)C[NH+]3CCC(C(F)F)CC3)c2C(=O)[O-])C1 ZINC000828310207 604507693 /nfs/dbraw/zinc/50/76/93/604507693.db2.gz LBIQKPJBHOPEEK-JTQLQIEISA-N 0 2 386.464 3.487 20 0 GGADLN CN(C)c1ccc([NH+]2CCC(NC(=O)Nc3cc(C(=O)[O-])cs3)CC2)cc1 ZINC000830639784 604509352 /nfs/dbraw/zinc/50/93/52/604509352.db2.gz PSJGYNCDATXPMO-UHFFFAOYSA-N 0 2 388.493 3.303 20 0 GGADLN C[N@@H+]1CC[C@@H](NC(=O)c2cccc(C(=O)[O-])c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000263456842 604513555 /nfs/dbraw/zinc/51/35/55/604513555.db2.gz USXSKYNKKKLTSF-IAGOWNOFSA-N 0 2 376.815 3.353 20 0 GGADLN C[N@H+]1CC[C@@H](NC(=O)c2cccc(C(=O)[O-])c2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000263456842 604513557 /nfs/dbraw/zinc/51/35/57/604513557.db2.gz USXSKYNKKKLTSF-IAGOWNOFSA-N 0 2 376.815 3.353 20 0 GGADLN O=C([O-])C[C@@H]1CCCN1C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000833211391 604515223 /nfs/dbraw/zinc/51/52/23/604515223.db2.gz RRSZALQZAPYAMI-CVEARBPZSA-N 0 2 397.878 3.092 20 0 GGADLN O=C([O-])C[C@@H]1CCCN1C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000833211391 604515225 /nfs/dbraw/zinc/51/52/25/604515225.db2.gz RRSZALQZAPYAMI-CVEARBPZSA-N 0 2 397.878 3.092 20 0 GGADLN Cc1[nH]c(C(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c(C)c1C(=O)[O-] ZINC000833740055 604530069 /nfs/dbraw/zinc/53/00/69/604530069.db2.gz NOQSORLXJDULIQ-RHSMWYFYSA-N 0 2 393.846 3.297 20 0 GGADLN Cc1[nH]c(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)c(C)c1C(=O)[O-] ZINC000833740055 604530074 /nfs/dbraw/zinc/53/00/74/604530074.db2.gz NOQSORLXJDULIQ-RHSMWYFYSA-N 0 2 393.846 3.297 20 0 GGADLN Cc1[nH]c(C(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)c(C)c1C(=O)[O-] ZINC000833740054 604530324 /nfs/dbraw/zinc/53/03/24/604530324.db2.gz NOQSORLXJDULIQ-PBHICJAKSA-N 0 2 393.846 3.297 20 0 GGADLN Cc1[nH]c(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)c(C)c1C(=O)[O-] ZINC000833740054 604530327 /nfs/dbraw/zinc/53/03/27/604530327.db2.gz NOQSORLXJDULIQ-PBHICJAKSA-N 0 2 393.846 3.297 20 0 GGADLN C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@@H+](C)Cc1ccc(O[C@@H](C)C(=O)[O-])cc1 ZINC000833537743 604531057 /nfs/dbraw/zinc/53/10/57/604531057.db2.gz OMKBBHWYEFCCAO-CABCVRRESA-N 0 2 391.489 3.135 20 0 GGADLN C[C@H](c1ccc(S(C)(=O)=O)cc1)[N@H+](C)Cc1ccc(O[C@@H](C)C(=O)[O-])cc1 ZINC000833537743 604531061 /nfs/dbraw/zinc/53/10/61/604531061.db2.gz OMKBBHWYEFCCAO-CABCVRRESA-N 0 2 391.489 3.135 20 0 GGADLN CCc1ccc(C(=O)N2CC[NH+](Cc3ccc(O[C@H](C)C(=O)[O-])cc3)CC2)cc1 ZINC000833670356 604535977 /nfs/dbraw/zinc/53/59/77/604535977.db2.gz UTMORMROXPDNGL-QGZVFWFLSA-N 0 2 396.487 3.059 20 0 GGADLN C[C@@H](NC(=O)NCCc1cccc(C(=O)[O-])c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000833522883 604563867 /nfs/dbraw/zinc/56/38/67/604563867.db2.gz SZFQUTWHQMVDPO-OAHLLOKOSA-N 0 2 378.432 3.173 20 0 GGADLN CC(C)[C@@H](C(=O)Nc1cccc(SCCC(=O)[O-])c1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000833624407 604572361 /nfs/dbraw/zinc/57/23/61/604572361.db2.gz QPLKYBYPEAXPFM-CLCXKQKWSA-N 0 2 394.537 3.326 20 0 GGADLN Cc1cc([C@@H](C)OC(=O)C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)oc1C(=O)[O-] ZINC000832874469 604590002 /nfs/dbraw/zinc/59/00/02/604590002.db2.gz KKUXACYGUFYQMW-NVXWUHKLSA-N 0 2 387.432 3.182 20 0 GGADLN Cc1cc([C@@H](C)OC(=O)C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)oc1C(=O)[O-] ZINC000832874469 604590005 /nfs/dbraw/zinc/59/00/05/604590005.db2.gz KKUXACYGUFYQMW-NVXWUHKLSA-N 0 2 387.432 3.182 20 0 GGADLN Cc1cc([C@H](C)OC(=O)C[C@@H]2C[N@H+](Cc3ccccc3)CCO2)oc1C(=O)[O-] ZINC000832874467 604590046 /nfs/dbraw/zinc/59/00/46/604590046.db2.gz KKUXACYGUFYQMW-DOTOQJQBSA-N 0 2 387.432 3.182 20 0 GGADLN Cc1cc([C@H](C)OC(=O)C[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)oc1C(=O)[O-] ZINC000832874467 604590050 /nfs/dbraw/zinc/59/00/50/604590050.db2.gz KKUXACYGUFYQMW-DOTOQJQBSA-N 0 2 387.432 3.182 20 0 GGADLN O=C([O-])C[C@H](NC(=O)c1cccc2[nH+]ccn21)c1ccc(Br)cc1 ZINC000833200522 604593291 /nfs/dbraw/zinc/59/32/91/604593291.db2.gz RXNSRPHWUSEDQA-ZDUSSCGKSA-N 0 2 388.221 3.043 20 0 GGADLN COc1ccccc1N(C(C)=O)c1nc(C[N@@H+]2CCC[C@H](C(=O)[O-])C2)cs1 ZINC000738129198 604608351 /nfs/dbraw/zinc/60/83/51/604608351.db2.gz LECHQDQCILCZBS-AWEZNQCLSA-N 0 2 389.477 3.133 20 0 GGADLN COc1ccccc1N(C(C)=O)c1nc(C[N@H+]2CCC[C@H](C(=O)[O-])C2)cs1 ZINC000738129198 604608352 /nfs/dbraw/zinc/60/83/52/604608352.db2.gz LECHQDQCILCZBS-AWEZNQCLSA-N 0 2 389.477 3.133 20 0 GGADLN C[C@H](C(=O)[O-])[C@@H]([NH2+]Cc1nnc(C(=O)Nc2ccccc2)s1)c1ccccc1 ZINC000833407798 604619309 /nfs/dbraw/zinc/61/93/09/604619309.db2.gz PUILVDOTGHGEEW-SUMWQHHRSA-N 0 2 396.472 3.342 20 0 GGADLN C[C@H](Oc1ccc(C[N@@H+]2CCCC[C@@H]2c2nnc3n2CCCC3)cc1)C(=O)[O-] ZINC000833544090 604622423 /nfs/dbraw/zinc/62/24/23/604622423.db2.gz WUNJWLVIUYAOQB-MAUKXSAKSA-N 0 2 384.480 3.194 20 0 GGADLN C[C@H](Oc1ccc(C[N@H+]2CCCC[C@@H]2c2nnc3n2CCCC3)cc1)C(=O)[O-] ZINC000833544090 604622424 /nfs/dbraw/zinc/62/24/24/604622424.db2.gz WUNJWLVIUYAOQB-MAUKXSAKSA-N 0 2 384.480 3.194 20 0 GGADLN O=C([O-])c1cccc(NC2CCN(c3cc(N4CCCCC4)[nH+]cn3)CC2)c1 ZINC000563213271 604639035 /nfs/dbraw/zinc/63/90/35/604639035.db2.gz CFEJBTIIIFBVAX-UHFFFAOYSA-N 0 2 381.480 3.246 20 0 GGADLN O=C([O-])c1cccc(NC2CCN(c3cc(N4CCCCC4)nc[nH+]3)CC2)c1 ZINC000563213271 604639038 /nfs/dbraw/zinc/63/90/38/604639038.db2.gz CFEJBTIIIFBVAX-UHFFFAOYSA-N 0 2 381.480 3.246 20 0 GGADLN CC[C@H](c1ccccc1)[N@H+](CC(=O)[O-])CC(=O)Nc1cccc(NC(C)=O)c1 ZINC000829025383 604649613 /nfs/dbraw/zinc/64/96/13/604649613.db2.gz BLYLAUGNTHRCDS-LJQANCHMSA-N 0 2 383.448 3.121 20 0 GGADLN CC[C@H](c1ccccc1)[N@@H+](CC(=O)[O-])CC(=O)Nc1cccc(NC(C)=O)c1 ZINC000829025383 604649615 /nfs/dbraw/zinc/64/96/15/604649615.db2.gz BLYLAUGNTHRCDS-LJQANCHMSA-N 0 2 383.448 3.121 20 0 GGADLN CC[C@@H](c1ccccc1)[N@H+](CC(=O)[O-])CC(=O)Nc1ccnn1C1CCCC1 ZINC000829025423 604649755 /nfs/dbraw/zinc/64/97/55/604649755.db2.gz CIVKMLSSTGABID-SFHVURJKSA-N 0 2 384.480 3.475 20 0 GGADLN CC[C@@H](c1ccccc1)[N@@H+](CC(=O)[O-])CC(=O)Nc1ccnn1C1CCCC1 ZINC000829025423 604649757 /nfs/dbraw/zinc/64/97/57/604649757.db2.gz CIVKMLSSTGABID-SFHVURJKSA-N 0 2 384.480 3.475 20 0 GGADLN C[C@@H](c1cccc(NC(=O)CCc2ccccc2C(=O)[O-])c1)[NH+]1CCOCC1 ZINC000833547383 604739269 /nfs/dbraw/zinc/73/92/69/604739269.db2.gz CMRVSSULRVDOIN-INIZCTEOSA-N 0 2 382.460 3.349 20 0 GGADLN COc1ccc(C)cc1NC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(C(=O)[O-])cc1F ZINC000833730530 604766494 /nfs/dbraw/zinc/76/64/94/604766494.db2.gz FTIPDEMEKVSJSE-GOSISDBHSA-N 0 2 386.423 3.444 20 0 GGADLN COc1ccc(C)cc1NC(=O)[C@H]1CCC[N@H+]1Cc1ccc(C(=O)[O-])cc1F ZINC000833730530 604766496 /nfs/dbraw/zinc/76/64/96/604766496.db2.gz FTIPDEMEKVSJSE-GOSISDBHSA-N 0 2 386.423 3.444 20 0 GGADLN C[C@H](Oc1ccc(C[N@@H+]2C[C@@H](O)C[C@@H]2c2cc(F)ccc2F)cc1)C(=O)[O-] ZINC000833537562 604772777 /nfs/dbraw/zinc/77/27/77/604772777.db2.gz LMLAQBMFXVBMDS-VRHCTWJESA-N 0 2 377.387 3.125 20 0 GGADLN C[C@H](Oc1ccc(C[N@H+]2C[C@@H](O)C[C@@H]2c2cc(F)ccc2F)cc1)C(=O)[O-] ZINC000833537562 604772781 /nfs/dbraw/zinc/77/27/81/604772781.db2.gz LMLAQBMFXVBMDS-VRHCTWJESA-N 0 2 377.387 3.125 20 0 GGADLN CC(C)c1cnc(C[N@H+](C)[C@@H]2CCN(c3nc(Cl)c(C(=O)[O-])s3)C2)o1 ZINC000833511326 604832242 /nfs/dbraw/zinc/83/22/42/604832242.db2.gz MIMAUBPWTKOUPV-SNVBAGLBSA-N 0 2 384.889 3.317 20 0 GGADLN CC(C)c1cnc(C[N@@H+](C)[C@@H]2CCN(c3nc(Cl)c(C(=O)[O-])s3)C2)o1 ZINC000833511326 604832248 /nfs/dbraw/zinc/83/22/48/604832248.db2.gz MIMAUBPWTKOUPV-SNVBAGLBSA-N 0 2 384.889 3.317 20 0 GGADLN Cc1cc(N2CCCC2)ccc1NC(=O)C[N@@H+]1CCc2ccc(C(=O)[O-])cc2C1 ZINC000833746225 604847602 /nfs/dbraw/zinc/84/76/02/604847602.db2.gz UVRSSTAOTBCVFR-UHFFFAOYSA-N 0 2 393.487 3.290 20 0 GGADLN Cc1cc(N2CCCC2)ccc1NC(=O)C[N@H+]1CCc2ccc(C(=O)[O-])cc2C1 ZINC000833746225 604847606 /nfs/dbraw/zinc/84/76/06/604847606.db2.gz UVRSSTAOTBCVFR-UHFFFAOYSA-N 0 2 393.487 3.290 20 0 GGADLN C[C@@H](C(=O)Nc1nc2ccccc2s1)[N@@H+]1CCc2ccc(C(=O)[O-])cc2C1 ZINC000833412332 604849711 /nfs/dbraw/zinc/84/97/11/604849711.db2.gz UZZUGCOEHULVQF-LBPRGKRZSA-N 0 2 381.457 3.380 20 0 GGADLN C[C@@H](C(=O)Nc1nc2ccccc2s1)[N@H+]1CCc2ccc(C(=O)[O-])cc2C1 ZINC000833412332 604849712 /nfs/dbraw/zinc/84/97/12/604849712.db2.gz UZZUGCOEHULVQF-LBPRGKRZSA-N 0 2 381.457 3.380 20 0 GGADLN C[C@H](C(=O)Nc1nc2ccccc2s1)[N@@H+]1CCc2ccc(C(=O)[O-])cc2C1 ZINC000833412331 604849921 /nfs/dbraw/zinc/84/99/21/604849921.db2.gz UZZUGCOEHULVQF-GFCCVEGCSA-N 0 2 381.457 3.380 20 0 GGADLN C[C@H](C(=O)Nc1nc2ccccc2s1)[N@H+]1CCc2ccc(C(=O)[O-])cc2C1 ZINC000833412331 604849925 /nfs/dbraw/zinc/84/99/25/604849925.db2.gz UZZUGCOEHULVQF-GFCCVEGCSA-N 0 2 381.457 3.380 20 0 GGADLN C[C@@H]1CCN(C(=O)Nc2ccc(OCC(=O)[O-])c(Cl)c2)C[C@@H]1n1cc[nH+]c1 ZINC000828278069 604925110 /nfs/dbraw/zinc/92/51/10/604925110.db2.gz OKSIABANHNQCJN-DOMZBBRYSA-N 0 2 392.843 3.115 20 0 GGADLN Cc1cnc(C[N@@H+](C)[C@@H]2CCN(C(=O)Nc3ccc(Cl)c(C(=O)[O-])c3)C2)o1 ZINC000832986352 604946991 /nfs/dbraw/zinc/94/69/91/604946991.db2.gz VJVUGYWEVOSZED-CYBMUJFWSA-N 0 2 392.843 3.073 20 0 GGADLN Cc1cnc(C[N@H+](C)[C@@H]2CCN(C(=O)Nc3ccc(Cl)c(C(=O)[O-])c3)C2)o1 ZINC000832986352 604946993 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1426700947 /nfs/dbraw/zinc/70/09/47/1426700947.db2.gz SSJBHLICUFKRON-UHFFFAOYSA-N 0 2 388.479 3.308 20 0 GGADLN Cn1cccc1[C@@H]1CCCC[N@@H+]1CC(=O)Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000822694041 1426727933 /nfs/dbraw/zinc/72/79/33/1426727933.db2.gz SJFGYMRWSDVTIM-KRWDZBQOSA-N 0 2 399.886 3.024 20 0 GGADLN Cn1cccc1[C@@H]1CCCC[N@H+]1CC(=O)Nc1cc(Cl)ccc1-c1nnn[n-]1 ZINC000822694041 1426727936 /nfs/dbraw/zinc/72/79/36/1426727936.db2.gz SJFGYMRWSDVTIM-KRWDZBQOSA-N 0 2 399.886 3.024 20 0 GGADLN Cc1ccc(NS(=O)(=O)c2cc(F)c(F)cc2F)cc1N1CCOC1=O ZINC000173577527 1426743761 /nfs/dbraw/zinc/74/37/61/1426743761.db2.gz ZUMSUBWWANEHDO-UHFFFAOYSA-N 0 2 386.351 3.170 20 0 GGADLN Cc1cc[nH+]c(N[C@@H](C)c2ccc(NC(=O)NC3CC3)cc2)c1-c1nnn[n-]1 ZINC000826312094 1426813441 /nfs/dbraw/zinc/81/34/41/1426813441.db2.gz VTFOJZURCAXZLC-LBPRGKRZSA-N 0 2 378.440 3.027 20 0 GGADLN CC(C)(C)c1cn2c([nH+]1)CC[C@@H](Nc1cc(-c3nnn[n-]3)nc3ccccc31)C2 ZINC000819958564 1426817252 /nfs/dbraw/zinc/81/72/52/1426817252.db2.gz OUQJJXDCXKBVSK-CYBMUJFWSA-N 0 2 388.479 3.336 20 0 GGADLN Cc1nc(-c2ccccc2)oc1C(=O)Nn1cnc2sc(C)c(C)c2c1=O ZINC000173726853 1426832548 /nfs/dbraw/zinc/83/25/48/1426832548.db2.gz RSOYXMLLOUEWCV-UHFFFAOYSA-N 0 2 380.429 3.422 20 0 GGADLN COc1ccccc1-n1cc(S(=O)(=O)Nc2nc3c(s2)CCCC3)cn1 ZINC000173995351 1426932479 /nfs/dbraw/zinc/93/24/79/1426932479.db2.gz YRJWVTPYJJJPPI-UHFFFAOYSA-N 0 2 390.490 3.017 20 0 GGADLN Cc1cc(S(=O)(=O)Nc2cc(C(C)C)nn2-c2ncccn2)cc(C)c1F ZINC000174005367 1426937829 /nfs/dbraw/zinc/93/78/29/1426937829.db2.gz PFNWFICBPUWWCG-UHFFFAOYSA-N 0 2 389.456 3.342 20 0 GGADLN Cc1ccccc1-n1nccc1NS(=O)(=O)c1cnn(-c2ccccc2F)c1 ZINC000174005467 1426938855 /nfs/dbraw/zinc/93/88/55/1426938855.db2.gz RZPMBGPMCLPMOL-UHFFFAOYSA-N 0 2 397.435 3.306 20 0 GGADLN O=C(Nc1ccc(NS(=O)(=O)c2ccc(F)cc2F)cn1)c1ccccc1 ZINC000174009471 1426941553 /nfs/dbraw/zinc/94/15/53/1426941553.db2.gz AAYWNRNLVNGPHZ-UHFFFAOYSA-N 0 2 389.383 3.413 20 0 GGADLN CCn1c(=O)c2ccc(C(=O)N3C[C@H](C)Oc4cc(F)ccc43)cc2[nH]c1=S ZINC000174011713 1426941988 /nfs/dbraw/zinc/94/19/88/1426941988.db2.gz XKKQIDJEMHVPDQ-NSHDSACASA-N 0 2 399.447 3.272 20 0 GGADLN Cc1ccccc1-c1cc(NS(=O)(=O)c2cnn(-c3ccccc3)c2)n(C)n1 ZINC000174012206 1426943389 /nfs/dbraw/zinc/94/33/89/1426943389.db2.gz DSZYBUFBALLHIY-UHFFFAOYSA-N 0 2 393.472 3.382 20 0 GGADLN COc1ccc(S(=O)(=O)Nc2ccnn2-c2ccc(Cl)cc2)cc1OC ZINC000174030169 1426955182 /nfs/dbraw/zinc/95/51/82/1426955182.db2.gz FMHUPTJFKWDGTH-UHFFFAOYSA-N 0 2 393.852 3.344 20 0 GGADLN CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)c1cc(Oc2ccccc2)ccn1 ZINC000174211580 1427053542 /nfs/dbraw/zinc/05/35/42/1427053542.db2.gz QPALNCYOPWWYKU-UHFFFAOYSA-N 0 2 392.440 3.444 20 0 GGADLN CCc1nnnn1-c1ccccc1NS(=O)(=O)c1ccccc1C(F)(F)F ZINC000174257938 1427072901 /nfs/dbraw/zinc/07/29/01/1427072901.db2.gz HTVXNWAEJDKJCU-UHFFFAOYSA-N 0 2 397.382 3.044 20 0 GGADLN CN(C(=O)C1CC1)c1ccccc1C(=O)Nc1nc(-c2ccccc2F)n[nH]1 ZINC000174292643 1427088495 /nfs/dbraw/zinc/08/84/95/1427088495.db2.gz KOJLFCHESZJDAA-UHFFFAOYSA-N 0 2 379.395 3.236 20 0 GGADLN CCOC(=O)c1ccc(Br)c(S(=O)(=O)Nc2cccnc2C)c1 ZINC000174329479 1427104632 /nfs/dbraw/zinc/10/46/32/1427104632.db2.gz UDXQVHRADUVXNL-UHFFFAOYSA-N 0 2 399.266 3.130 20 0 GGADLN CCOc1ccc(-c2noc(C[NH2+][C@H](C)c3cccc(-c4nnn[n-]4)c3)n2)cc1 ZINC000825632357 1427143530 /nfs/dbraw/zinc/14/35/30/1427143530.db2.gz PNLKYMQJIFUTCV-CYBMUJFWSA-N 0 2 391.435 3.166 20 0 GGADLN CCS[C@H]1CC[C@@H](N(C)C(=O)c2ccc3c(c2)[nH]c(=S)n(CC)c3=O)C1 ZINC000174430385 1427152865 /nfs/dbraw/zinc/15/28/65/1427152865.db2.gz PEAJOGPNGGKFCX-KGLIPLIRSA-N 0 2 391.562 3.451 20 0 GGADLN CCn1c(=O)c2ccc(C(=O)OCc3cccc(N(C)C)c3)cc2[nH]c1=S ZINC000174476031 1427173968 /nfs/dbraw/zinc/17/39/68/1427173968.db2.gz ZRHFRYZHFBZQGN-UHFFFAOYSA-N 0 2 383.473 3.128 20 0 GGADLN CC(C)Oc1cc(C[N@H+](Cc2cccc(-c3nnn[n-]3)c2F)C2CC2)ccn1 ZINC000824319440 1427183904 /nfs/dbraw/zinc/18/39/04/1427183904.db2.gz QHIAATXKQGEBPG-UHFFFAOYSA-N 0 2 382.443 3.353 20 0 GGADLN CC(C)Oc1cc(C[N@@H+](Cc2cccc(-c3nnn[n-]3)c2F)C2CC2)ccn1 ZINC000824319440 1427183909 /nfs/dbraw/zinc/18/39/09/1427183909.db2.gz QHIAATXKQGEBPG-UHFFFAOYSA-N 0 2 382.443 3.353 20 0 GGADLN COc1ccccc1-n1cc(S(=O)(=O)Nc2ccc3ncsc3c2)cn1 ZINC000174677317 1427304178 /nfs/dbraw/zinc/30/41/78/1427304178.db2.gz DVNFWKSWTOYJTA-UHFFFAOYSA-N 0 2 386.458 3.291 20 0 GGADLN COc1ccccc1-n1cc(S(=O)(=O)Nc2ccc(OC(C)C)cc2)cn1 ZINC000174679651 1427305990 /nfs/dbraw/zinc/30/59/90/1427305990.db2.gz DFPGOWUIOMPTHE-UHFFFAOYSA-N 0 2 387.461 3.469 20 0 GGADLN COc1ccccc1-n1cc(S(=O)(=O)Nc2ccc(-c3cnco3)cc2)cn1 ZINC000174682880 1427307714 /nfs/dbraw/zinc/30/77/14/1427307714.db2.gz AEFOLLHPYHQXFY-UHFFFAOYSA-N 0 2 396.428 3.337 20 0 GGADLN COc1ccccc1-n1cc(S(=O)(=O)Nc2ccc(-c3cc[nH]n3)cc2)cn1 ZINC000174687017 1427309203 /nfs/dbraw/zinc/30/92/03/1427309203.db2.gz JQAQQOZOYIRIEB-UHFFFAOYSA-N 0 2 395.444 3.072 20 0 GGADLN COc1ccccc1-n1cc(S(=O)(=O)Nc2cc(F)c(F)c(F)c2)cn1 ZINC000174735335 1427339134 /nfs/dbraw/zinc/33/91/34/1427339134.db2.gz OVXLAKNRKCWDDE-UHFFFAOYSA-N 0 2 383.351 3.099 20 0 GGADLN CCc1nnc(-c2ccc(NS(=O)(=O)c3cnn(-c4ccccc4)c3)cc2)o1 ZINC000174766382 1427355279 /nfs/dbraw/zinc/35/52/79/1427355279.db2.gz NOPGAKWBUIQGPT-UHFFFAOYSA-N 0 2 395.444 3.286 20 0 GGADLN COCCCn1c(=O)c2ccc(C(=O)N[C@@H]3CCCC3(C)C)cc2[nH]c1=S ZINC000174975307 1427474975 /nfs/dbraw/zinc/47/49/75/1427474975.db2.gz FCTCHULFRNWDPW-MRXNPFEDSA-N 0 2 389.521 3.404 20 0 GGADLN CCOc1cc(C(=O)N(C)C)ccc1NS(=O)(=O)c1cccc(F)c1C ZINC000174999991 1427489539 /nfs/dbraw/zinc/48/95/39/1427489539.db2.gz WXBJYFGYLDXKKK-UHFFFAOYSA-N 0 2 380.441 3.035 20 0 GGADLN O=C1CCCc2ccc(NS(=O)(=O)c3cnn(-c4ccccc4F)c3)cc21 ZINC000175011315 1427495820 /nfs/dbraw/zinc/49/58/20/1427495820.db2.gz RZCDUYQNSBRNRK-UHFFFAOYSA-N 0 2 385.420 3.331 20 0 GGADLN C[NH+](C)[C@H](CNc1cc(-c2nnn[n-]2)c2ccccc2n1)c1c(F)cccc1F ZINC000736759217 1427521237 /nfs/dbraw/zinc/52/12/37/1427521237.db2.gz KFBBBDUODDIGSB-QGZVFWFLSA-N 0 2 395.417 3.408 20 0 GGADLN CCn1c(=O)c2ccc(C(=O)NC(C)(C)c3ncc(C)s3)cc2[nH]c1=S ZINC000175145574 1427568061 /nfs/dbraw/zinc/56/80/61/1427568061.db2.gz AMDIVPOLJLPRAB-UHFFFAOYSA-N 0 2 388.518 3.135 20 0 GGADLN Cc1c(Cl)cccc1NC(=O)CCNc1[nH+]c2c(cc1-c1nnn[n-]1)CCC2 ZINC000737215520 1427592971 /nfs/dbraw/zinc/59/29/71/1427592971.db2.gz KMWZGFYEGRXZLA-UHFFFAOYSA-N 0 2 397.870 3.153 20 0 GGADLN CCCNC(=O)C1CCN(C(=O)C2=NN(c3ccc(C(C)C)cc3)CC2=O)CC1 ZINC000175208646 1427601207 /nfs/dbraw/zinc/60/12/07/1427601207.db2.gz ZMKJDZKFOUECJN-UHFFFAOYSA-N 0 2 398.507 3.080 20 0 GGADLN CCS[C@H]1CCCC[C@@H]1NC(=O)c1ccc2c(c1)[nH]c(=S)n(CC)c2=O ZINC000175255281 1427628134 /nfs/dbraw/zinc/62/81/34/1427628134.db2.gz YZAWBBDKXMKCHB-HOCLYGCPSA-N 0 2 391.562 3.499 20 0 GGADLN CC(C)c1ccc(N2CC(=O)C(C(=O)NCc3ccc([S@](C)=O)cc3)=N2)cc1 ZINC000175279813 1427644247 /nfs/dbraw/zinc/64/42/47/1427644247.db2.gz PGLRYVUODQNIIL-NDEPHWFRSA-N 0 2 397.500 3.369 20 0 GGADLN Cn1c(=O)c2ccc(C(=O)Oc3ccc(N4CCCC4)cc3)cc2[nH]c1=S ZINC000175305359 1427663792 /nfs/dbraw/zinc/66/37/92/1427663792.db2.gz WZPPDQTYGCSSJW-UHFFFAOYSA-N 0 2 381.457 3.042 20 0 GGADLN CC(C)[N@H+](Cc1nccn1CC(F)(F)F)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000735874196 1427808126 /nfs/dbraw/zinc/80/81/26/1427808126.db2.gz OHIOHVYQNZZKKU-UHFFFAOYSA-N 0 2 379.390 3.036 20 0 GGADLN CC(C)[N@@H+](Cc1nccn1CC(F)(F)F)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000735874196 1427808127 /nfs/dbraw/zinc/80/81/27/1427808127.db2.gz OHIOHVYQNZZKKU-UHFFFAOYSA-N 0 2 379.390 3.036 20 0 GGADLN CCSCC[C@@H](C)N(C)C(=O)c1ccc2c(c1)[nH]c(=S)n(CC)c2=O ZINC000175569035 1427817578 /nfs/dbraw/zinc/81/75/78/1427817578.db2.gz REHGILSJMVUACA-GFCCVEGCSA-N 0 2 379.551 3.309 20 0 GGADLN Cc1nc(C)c(C(=O)Nn2cnc3sc(C)c(-c4ccccc4)c3c2=O)o1 ZINC000175598272 1427827293 /nfs/dbraw/zinc/82/72/93/1427827293.db2.gz WDLZOCQKTDESMT-UHFFFAOYSA-N 0 2 380.429 3.422 20 0 GGADLN Cc1cc(S(=O)(=O)Nc2ccc(Sc3nncn3C)cc2)c(F)cc1F ZINC000175763752 1427883248 /nfs/dbraw/zinc/88/32/48/1427883248.db2.gz PKQLQCOQKPQDFJ-UHFFFAOYSA-N 0 2 396.444 3.354 20 0 GGADLN COc1cc(NS(=O)(=O)c2cc(C)c(F)cc2F)ccc1N1CCCC1=O ZINC000175763885 1427883442 /nfs/dbraw/zinc/88/34/42/1427883442.db2.gz MDOYDNXARUKRJM-UHFFFAOYSA-N 0 2 396.415 3.209 20 0 GGADLN Cc1cc(S(=O)(=O)Nc2ccccc2Sc2nncn2C)c(F)cc1F ZINC000175763776 1427883583 /nfs/dbraw/zinc/88/35/83/1427883583.db2.gz YZYYKYFKNKLCFD-UHFFFAOYSA-N 0 2 396.444 3.354 20 0 GGADLN CCn1c(=O)c2ccc(C(=O)N3C[C@H](C)Oc4ccc(C)cc43)cc2[nH]c1=S ZINC000175772312 1427887789 /nfs/dbraw/zinc/88/77/89/1427887789.db2.gz KIKBQBPHLZATII-ZDUSSCGKSA-N 0 2 395.484 3.441 20 0 GGADLN CC(C)c1ccc(N2CC(=O)C(C(=O)NC3CCN(CC(F)F)CC3)=N2)cc1 ZINC000175794078 1427895636 /nfs/dbraw/zinc/89/56/36/1427895636.db2.gz JHUYMDIKNLUZGO-UHFFFAOYSA-N 0 2 392.450 3.161 20 0 GGADLN O=C(OCc1ccc(-c2nnn[n-]2)cc1F)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000738232195 1427931767 /nfs/dbraw/zinc/93/17/67/1427931767.db2.gz QKGOCIZCIIOBHS-IBGZPJMESA-N 0 2 395.438 3.104 20 0 GGADLN O=C(OCc1ccc(-c2nnn[n-]2)cc1F)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000738232195 1427931770 /nfs/dbraw/zinc/93/17/70/1427931770.db2.gz QKGOCIZCIIOBHS-IBGZPJMESA-N 0 2 395.438 3.104 20 0 GGADLN Cc1ccc(CN2C(=O)CC[C@@H]2C(=O)Nc2nc(-c3ccccc3F)n[nH]2)cc1 ZINC000175970466 1428005168 /nfs/dbraw/zinc/00/51/68/1428005168.db2.gz ZPQQEIHYDDNKLM-QGZVFWFLSA-N 0 2 393.422 3.049 20 0 GGADLN CC(C)C(=O)N(C)Cc1ccc(C(=O)Nc2nc(-c3ccccc3F)n[nH]2)cc1 ZINC000175971610 1428005924 /nfs/dbraw/zinc/00/59/24/1428005924.db2.gz KEONWGKOZYFDHQ-UHFFFAOYSA-N 0 2 395.438 3.478 20 0 GGADLN COCCn1nc(C)c(NS(=O)(=O)c2ccc(C)c(C(F)(F)F)c2)c1C ZINC000175974095 1428006660 /nfs/dbraw/zinc/00/66/60/1428006660.db2.gz DBWOPKBSVPLADZ-UHFFFAOYSA-N 0 2 391.415 3.274 20 0 GGADLN COCCn1nc(C)c(NS(=O)(=O)c2cc(C(F)(F)F)ccc2C)c1C ZINC000175974522 1428007553 /nfs/dbraw/zinc/00/75/53/1428007553.db2.gz DPSLGQYEBZTUHJ-UHFFFAOYSA-N 0 2 391.415 3.274 20 0 GGADLN CCCO[C@@H]1CCCN(C(=O)C2=NN(c3ccc(F)cc3C)CC2=O)CC1 ZINC000176032188 1428037083 /nfs/dbraw/zinc/03/70/83/1428037083.db2.gz NVEKDPDONXLRFC-MRXNPFEDSA-N 0 2 375.444 3.447 20 0 GGADLN Cc1ccc([C@@H]2COCCN2C(=O)C2=NN(c3ccc(F)cc3C)CC2=O)o1 ZINC000176096494 1428080578 /nfs/dbraw/zinc/08/05/78/1428080578.db2.gz KSXNEALPSOAYPC-INIZCTEOSA-N 0 2 385.395 3.141 20 0 GGADLN COC(=O)c1cc(S(=O)(=O)Nc2cccc3cccnc32)cc(F)c1F ZINC000176168594 1428135387 /nfs/dbraw/zinc/13/53/87/1428135387.db2.gz HFTLENBLXDDZQY-UHFFFAOYSA-N 0 2 378.356 3.100 20 0 GGADLN CC[C@@H]([NH2+][C@H](C)c1ccc(-c2nnn[n-]2)c(F)c1)c1nnc2n1CCCCC2 ZINC000825141255 1428182077 /nfs/dbraw/zinc/18/20/77/1428182077.db2.gz NCNMKFGGTLAHCE-MLGOLLRUSA-N 0 2 384.463 3.126 20 0 GGADLN Cc1cc(F)ccc1N1CC(=O)C(C(=O)N2CCO[C@@H](c3ccccc3)C2)=N1 ZINC000176266578 1428207420 /nfs/dbraw/zinc/20/74/20/1428207420.db2.gz QBFQIBKXDVYWKK-LJQANCHMSA-N 0 2 381.407 3.239 20 0 GGADLN COCc1ccc(CNS(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1 ZINC000180173865 1429780600 /nfs/dbraw/zinc/78/06/00/1429780600.db2.gz VQBYYUIBXMHXFP-UHFFFAOYSA-N 0 2 381.322 3.007 20 0 GGADLN CC(=O)Nc1cc(F)c(S(=O)(=O)Nc2ccnc(Cl)c2)c(F)c1Cl ZINC000180251614 1429815160 /nfs/dbraw/zinc/81/51/60/1429815160.db2.gz AFJVRXWMQHNLDU-UHFFFAOYSA-N 0 2 396.202 3.426 20 0 GGADLN Cc1cc(S(=O)(=O)Nc2noc(COc3ccc(F)cc3)n2)c(F)cc1F ZINC000180306890 1429831710 /nfs/dbraw/zinc/83/17/10/1429831710.db2.gz KKJAXLKXOUNCNK-UHFFFAOYSA-N 0 2 399.350 3.175 20 0 GGADLN Cc1ccc(F)c(S(=O)(=O)Nc2noc(COc3ccc(F)cc3)n2)c1 ZINC000180309730 1429832388 /nfs/dbraw/zinc/83/23/88/1429832388.db2.gz KEDUREVBEWWCOE-UHFFFAOYSA-N 0 2 381.360 3.036 20 0 GGADLN O=S(=O)(Nc1noc(COc2ccc(F)cc2)n1)c1ccc2c(c1)CCC2 ZINC000180310012 1429832508 /nfs/dbraw/zinc/83/25/08/1429832508.db2.gz NZLHOQLBLGRLJK-UHFFFAOYSA-N 0 2 389.408 3.077 20 0 GGADLN Cc1nn(-c2ccccc2)cc1NS(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000180349344 1429842406 /nfs/dbraw/zinc/84/24/06/1429842406.db2.gz AATNLJJZEZKYGX-UHFFFAOYSA-N 0 2 385.445 3.143 20 0 GGADLN CC(C)(C(=O)NO[C@@H]1CCCN(c2ccc(C#N)cc2)C1=O)c1ccccc1 ZINC000180374053 1429849717 /nfs/dbraw/zinc/84/97/17/1429849717.db2.gz KGXLTWYPWXOFOM-LJQANCHMSA-N 0 2 377.444 3.079 20 0 GGADLN C[N@H+](CC(F)F)C1CCN(c2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)CC1 ZINC000821595394 1429868416 /nfs/dbraw/zinc/86/84/16/1429868416.db2.gz WFWYSZJKDMIPEI-UHFFFAOYSA-N 0 2 390.360 3.051 20 0 GGADLN C[N@@H+](CC(F)F)C1CCN(c2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)CC1 ZINC000821595394 1429868423 /nfs/dbraw/zinc/86/84/23/1429868423.db2.gz WFWYSZJKDMIPEI-UHFFFAOYSA-N 0 2 390.360 3.051 20 0 GGADLN C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)NCc1ccc(-n2cc[nH+]c2)cc1 ZINC000180475411 1429878217 /nfs/dbraw/zinc/87/82/17/1429878217.db2.gz DUEMVDONNODZAG-GOSISDBHSA-N 0 2 377.492 3.192 20 0 GGADLN Cc1cccc(S(=O)(=O)Nc2ccc(C(=O)NCC(F)(F)F)cc2)c1F ZINC000180477427 1429878601 /nfs/dbraw/zinc/87/86/01/1429878601.db2.gz XBZHJQRTZWNTTC-UHFFFAOYSA-N 0 2 390.358 3.227 20 0 GGADLN Cc1oncc1C(=O)Nc1ccc(NS(=O)(=O)c2cccc(C)c2F)cc1 ZINC000180488045 1429881085 /nfs/dbraw/zinc/88/10/85/1429881085.db2.gz PZERYAXNMAAIPL-UHFFFAOYSA-N 0 2 389.408 3.484 20 0 GGADLN Cc1cccc(S(=O)(=O)Nc2ccc(OCCO)cc2C(F)(F)F)c1F ZINC000180491256 1429881822 /nfs/dbraw/zinc/88/18/22/1429881822.db2.gz KPYRDZASNQEULC-UHFFFAOYSA-N 0 2 393.358 3.325 20 0 GGADLN Cc1cccc(S(=O)(=O)Nc2cccc(CN3CCCCC3=O)c2)c1F ZINC000180500718 1429883749 /nfs/dbraw/zinc/88/37/49/1429883749.db2.gz FKAYNJSMVWIARQ-UHFFFAOYSA-N 0 2 376.453 3.447 20 0 GGADLN Cc1cccc(S(=O)(=O)Nc2ccc(C(=O)N3CCCC3)cc2C)c1F ZINC000180500817 1429883760 /nfs/dbraw/zinc/88/37/60/1429883760.db2.gz NBMXKSBSALGMNU-UHFFFAOYSA-N 0 2 376.453 3.479 20 0 GGADLN CCn1c(=O)c2ccc(C(=O)Nc3cc(C(F)(F)F)ccn3)cc2[nH]c1=S ZINC000180558150 1429897409 /nfs/dbraw/zinc/89/74/09/1429897409.db2.gz UTJHBJMVVZHJIT-UHFFFAOYSA-N 0 2 394.378 3.371 20 0 GGADLN COc1ccc([C@H](C)N(C)C(=O)C2=NN(c3ccc(OC)cc3)CC2=O)cc1 ZINC000180623297 1429938705 /nfs/dbraw/zinc/93/87/05/1429938705.db2.gz YPWAXBPYKPSPDA-AWEZNQCLSA-N 0 2 381.432 3.428 20 0 GGADLN COc1ccc(N2CC(=O)C(C(=O)NCc3coc(-c4cccs4)n3)=N2)cc1 ZINC000180708437 1429990534 /nfs/dbraw/zinc/99/05/34/1429990534.db2.gz VZGIRVATGFSCAC-UHFFFAOYSA-N 0 2 396.428 3.233 20 0 GGADLN COc1ccc(N2CC(=O)C(C(=O)NCc3cc(-c4ccccc4)on3)=N2)cc1 ZINC000180736335 1430008673 /nfs/dbraw/zinc/00/86/73/1430008673.db2.gz JJDCPWSEVZRJGQ-UHFFFAOYSA-N 0 2 390.399 3.172 20 0 GGADLN COc1cccc2c1CCN(C(=O)C1=NN(c3ccc(F)cc3C)CC1=O)C2 ZINC000180743704 1430013160 /nfs/dbraw/zinc/01/31/60/1430013160.db2.gz BGCCEOMMXVAZFT-UHFFFAOYSA-N 0 2 381.407 3.233 20 0 GGADLN O=C([N-]S(=O)(=O)c1c(Cl)cccc1Cl)c1ccc(-n2cc[nH+]c2)cc1 ZINC000180774661 1430032368 /nfs/dbraw/zinc/03/23/68/1430032368.db2.gz AOVUOOUFQJYJBH-UHFFFAOYSA-N 0 2 396.255 3.298 20 0 GGADLN COc1ccc(N2CC(=O)C(C(=O)N[C@@H](c3ncccc3C)C(C)C)=N2)cc1 ZINC000180784911 1430038095 /nfs/dbraw/zinc/03/80/95/1430038095.db2.gz VKAPLUBQLJKMHY-GOSISDBHSA-N 0 2 380.448 3.417 20 0 GGADLN COc1ccc(N2CC(=O)C(C(=O)NC3(c4nccs4)CCCC3)=N2)cc1 ZINC000180788357 1430040999 /nfs/dbraw/zinc/04/09/99/1430040999.db2.gz GIFTWSMLDYOHRQ-UHFFFAOYSA-N 0 2 384.461 3.242 20 0 GGADLN COc1ccc(N2CC(=O)C(C(=O)NC[C@H]3CCCO[C@H]3C(C)(C)C)=N2)cc1 ZINC000180794651 1430044169 /nfs/dbraw/zinc/04/41/69/1430044169.db2.gz YUUUMCGDLIODIP-AUUYWEPGSA-N 0 2 387.480 3.158 20 0 GGADLN COc1ccc(N2CC(=O)C(C(=O)NC[C@H]3CCCO[C@@H]3C(C)(C)C)=N2)cc1 ZINC000180794633 1430044462 /nfs/dbraw/zinc/04/44/62/1430044462.db2.gz YUUUMCGDLIODIP-KUHUBIRLSA-N 0 2 387.480 3.158 20 0 GGADLN COc1ccc(N2CC(=O)C(C(=O)N3CCc4c(Cl)cccc4C3)=N2)cc1 ZINC000180801969 1430049238 /nfs/dbraw/zinc/04/92/38/1430049238.db2.gz NBLALVQNBLIFKU-UHFFFAOYSA-N 0 2 383.835 3.438 20 0 GGADLN CC(=O)c1cc(S(=O)(=O)Nc2ncc(C)s2)ccc1Br ZINC000180803727 1430050163 /nfs/dbraw/zinc/05/01/63/1430050163.db2.gz NKHWBOIMBFWRFE-UHFFFAOYSA-N 0 2 375.269 3.217 20 0 GGADLN COc1ccc(N2CC(=O)C(C(=O)N[C@@H](c3ncc(C)s3)C3CC3)=N2)cc1 ZINC000180814885 1430055200 /nfs/dbraw/zinc/05/52/00/1430055200.db2.gz MUTBTGFIUIQABC-MRXNPFEDSA-N 0 2 384.461 3.233 20 0 GGADLN CC(=O)c1cc(S(=O)(=O)Nc2cc(C(C)C)n[nH]2)ccc1Br ZINC000180818609 1430055841 /nfs/dbraw/zinc/05/58/41/1430055841.db2.gz RUDBTOJNZHSREU-UHFFFAOYSA-N 0 2 386.271 3.299 20 0 GGADLN O=C(NC1(c2cccc(F)c2)CCOCC1)C1=NN(c2ccc(F)cc2)CC1=O ZINC000180826274 1430059663 /nfs/dbraw/zinc/05/96/63/1430059663.db2.gz WMNSZQRTZIAKQN-UHFFFAOYSA-N 0 2 399.397 3.292 20 0 GGADLN CCN(C[C@@H](O)c1ccc(C)cc1)C(=O)C1=NN(c2ccc(OC)cc2)CC1=O ZINC000180841866 1430066592 /nfs/dbraw/zinc/06/65/92/1430066592.db2.gz DBRQETCEINGRRL-LJQANCHMSA-N 0 2 395.459 3.091 20 0 GGADLN O=C(c1ccc(C(F)(F)F)cc1O)N1CCC[C@H](c2n[nH]c(C3CC3)n2)C1 ZINC000180853184 1430070983 /nfs/dbraw/zinc/07/09/83/1430070983.db2.gz ZBBXUWYWSDRPMY-NSHDSACASA-N 0 2 380.370 3.426 20 0 GGADLN O=C(c1ccc(C(F)(F)F)cc1O)N1CCC[C@@H](c2n[nH]c(C3CC3)n2)C1 ZINC000180853199 1430071028 /nfs/dbraw/zinc/07/10/28/1430071028.db2.gz ZBBXUWYWSDRPMY-LLVKDONJSA-N 0 2 380.370 3.426 20 0 GGADLN CCOCCC1(CNC(=O)C2=NN(c3ccc(OC)cc3)CC2=O)CCCC1 ZINC000180864883 1430075697 /nfs/dbraw/zinc/07/56/97/1430075697.db2.gz ZKCWSODMSUGCSS-UHFFFAOYSA-N 0 2 387.480 3.303 20 0 GGADLN C[C@@H]1C[C@@H]([N@H+](C)Cc2cc(F)ccc2-c2nn[n-]n2)CC[NH+]1Cc1ccccc1 ZINC000820655342 1430097709 /nfs/dbraw/zinc/09/77/09/1430097709.db2.gz ASOXVODUZPXHOD-UZLBHIALSA-N 0 2 394.498 3.491 20 0 GGADLN C[C@@H]1C[C@@H]([N@@H+](C)Cc2cc(F)ccc2-c2nn[n-]n2)CC[NH+]1Cc1ccccc1 ZINC000820655342 1430097712 /nfs/dbraw/zinc/09/77/12/1430097712.db2.gz ASOXVODUZPXHOD-UZLBHIALSA-N 0 2 394.498 3.491 20 0 GGADLN CCn1c(=O)c2ccc(C(=O)OCc3nc(C4CC4)cs3)cc2[nH]c1=S ZINC000180934922 1430123644 /nfs/dbraw/zinc/12/36/44/1430123644.db2.gz IAISRIQSAKQPPV-UHFFFAOYSA-N 0 2 387.486 3.396 20 0 GGADLN COc1ccc(N2CC(=O)C(C(=O)N3CCC(OCCC(C)C)CC3)=N2)cc1 ZINC000180938476 1430124889 /nfs/dbraw/zinc/12/48/89/1430124889.db2.gz HJEHLVITACDYIS-UHFFFAOYSA-N 0 2 387.480 3.254 20 0 GGADLN Cc1nnc(C(C)C)n1C1CC2CCC(C1)[NH+]2Cc1cccc(-c2nnn[n-]2)c1 ZINC001139853666 1430136574 /nfs/dbraw/zinc/13/65/74/1430136574.db2.gz YIEOUVUKECOECG-REPLKXPHSA-N 0 2 392.511 3.258 20 0 GGADLN C[N@H+](Cc1ccc(Cl)nc1)Cc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000821611140 1430188085 /nfs/dbraw/zinc/18/80/85/1430188085.db2.gz SBSUMHMLXQMZFK-UHFFFAOYSA-N 0 2 380.786 3.149 20 0 GGADLN C[N@@H+](Cc1ccc(Cl)nc1)Cc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000821611140 1430188087 /nfs/dbraw/zinc/18/80/87/1430188087.db2.gz SBSUMHMLXQMZFK-UHFFFAOYSA-N 0 2 380.786 3.149 20 0 GGADLN CCN(C[C@H]1COc2ccccc2O1)C(=O)C1=NN(c2ccc(F)cc2)CC1=O ZINC000181055435 1430189813 /nfs/dbraw/zinc/18/98/13/1430189813.db2.gz ZUSIMABEXPYYLK-INIZCTEOSA-N 0 2 397.406 3.019 20 0 GGADLN C[C@H](C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)[N@H+](C)Cc1ccsc1 ZINC000735550811 1430199949 /nfs/dbraw/zinc/19/99/49/1430199949.db2.gz LSBGQROZIPOVMS-SNVBAGLBSA-N 0 2 376.873 3.041 20 0 GGADLN C[C@H](C(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)[N@@H+](C)Cc1ccsc1 ZINC000735550811 1430199951 /nfs/dbraw/zinc/19/99/51/1430199951.db2.gz LSBGQROZIPOVMS-SNVBAGLBSA-N 0 2 376.873 3.041 20 0 GGADLN Cn1nc(C2CCCC2)cc1NS(=O)(=O)c1ccc2c(c1)OCCCO2 ZINC000181103462 1430210717 /nfs/dbraw/zinc/21/07/17/1430210717.db2.gz VWZJPLDBUCIYJY-UHFFFAOYSA-N 0 2 377.466 3.040 20 0 GGADLN Cn1nc(C2CCCC2)cc1NS(=O)(=O)c1ccc(N2CCCC2=O)cc1 ZINC000181103555 1430211227 /nfs/dbraw/zinc/21/12/27/1430211227.db2.gz FAGBGNPQNQRTCP-UHFFFAOYSA-N 0 2 388.493 3.005 20 0 GGADLN Cc1cc(F)cc2c1[nH+]cc(-c1nnn[n-]1)c2N1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000822204187 1430220298 /nfs/dbraw/zinc/22/02/98/1430220298.db2.gz HFMVFSODMNUEOC-LBPRGKRZSA-N 0 2 398.442 3.030 20 0 GGADLN Cc1oc(-c2ccc(Cl)c(Cl)c2)nc1C(=O)NNC(=O)c1cccnc1 ZINC000181131172 1430220335 /nfs/dbraw/zinc/22/03/35/1430220335.db2.gz GDFUCVBZFPRSHW-UHFFFAOYSA-N 0 2 391.214 3.427 20 0 GGADLN COc1ccc(N2CC(=O)C(C(=O)N3C[C@@H](C)OC[C@@H]3c3ccccc3)=N2)cc1 ZINC000181142542 1430224517 /nfs/dbraw/zinc/22/45/17/1430224517.db2.gz DFMUAZZXDYMWES-DNVCBOLYSA-N 0 2 393.443 3.189 20 0 GGADLN COc1ccc(S(=O)(=O)Nc2ccnn2CCc2ccccc2)c(C)c1F ZINC000181145889 1430226114 /nfs/dbraw/zinc/22/61/14/1430226114.db2.gz UCRPIDMYIPWFEW-UHFFFAOYSA-N 0 2 389.452 3.383 20 0 GGADLN Cc1cc(NS(=O)(=O)c2ccc(C#N)cc2Cl)cnc1Br ZINC000181176691 1430238783 /nfs/dbraw/zinc/23/87/83/1430238783.db2.gz YZKMMZDQHUYQOW-UHFFFAOYSA-N 0 2 386.658 3.478 20 0 GGADLN O=S(=O)(C[C@H]1CCCCO1)Nc1ccn(-c2cccc(C(F)(F)F)c2)n1 ZINC000181192629 1430244188 /nfs/dbraw/zinc/24/41/88/1430244188.db2.gz JEMYWJHVIUMTAU-CQSZACIVSA-N 0 2 389.399 3.202 20 0 GGADLN O=S(=O)(C[C@@H]1CCCCO1)Nc1ccn(-c2cccc(C(F)(F)F)c2)n1 ZINC000181192611 1430244208 /nfs/dbraw/zinc/24/42/08/1430244208.db2.gz JEMYWJHVIUMTAU-AWEZNQCLSA-N 0 2 389.399 3.202 20 0 GGADLN COc1ccc(N2CC(=O)C(C(=O)N3C[C@H](C)O[C@@H](c4ccsc4)C3)=N2)cc1 ZINC000181195140 1430245283 /nfs/dbraw/zinc/24/52/83/1430245283.db2.gz KDNRNTHAIANIDB-SCLBCKFNSA-N 0 2 399.472 3.250 20 0 GGADLN COC(=O)Nc1ccc(NS(=O)(=O)c2cc(F)c(F)cc2F)cc1F ZINC000181206297 1430247648 /nfs/dbraw/zinc/24/76/48/1430247648.db2.gz CSJJDNIPFOVMEI-UHFFFAOYSA-N 0 2 378.303 3.222 20 0 GGADLN COc1ccc(N2CC(=O)C(C(=O)N[C@@H](C)CC(=O)c3ccc(F)cc3)=N2)cc1 ZINC000181207965 1430247941 /nfs/dbraw/zinc/24/79/41/1430247941.db2.gz LLYHQLHVBHZHDO-ZDUSSCGKSA-N 0 2 397.406 3.117 20 0 GGADLN Cc1cc(F)ccc1N1CC(=O)C(C(=O)N2CCO[C@@H](Cc3ccccc3)C2)=N1 ZINC000181248020 1430256144 /nfs/dbraw/zinc/25/61/44/1430256144.db2.gz FDPQZBNTXSYQAD-SFHVURJKSA-N 0 2 395.434 3.109 20 0 GGADLN O=C(NC[C@@H]1CC(=O)N(C2CC2)C1)c1cc(-c2ccccc2)cc(Cl)c1O ZINC000181261233 1430258276 /nfs/dbraw/zinc/25/82/76/1430258276.db2.gz HVIFHGZGKRIJOX-ZDUSSCGKSA-N 0 2 384.863 3.453 20 0 GGADLN O=C(NC[C@H]1CC(=O)N(C2CC2)C1)c1cc(-c2ccccc2)cc(Cl)c1O ZINC000181261247 1430258330 /nfs/dbraw/zinc/25/83/30/1430258330.db2.gz HVIFHGZGKRIJOX-CYBMUJFWSA-N 0 2 384.863 3.453 20 0 GGADLN COc1ccc(S(=O)(=O)Nc2cc(C)nn2Cc2ccccc2)c(C)c1F ZINC000181316252 1430271166 /nfs/dbraw/zinc/27/11/66/1430271166.db2.gz AXSIWTMZNIFNPN-UHFFFAOYSA-N 0 2 389.452 3.497 20 0 GGADLN COc1ccc(S(=O)(=O)Nc2c(C)cnn2-c2ccccc2)c(C)c1F ZINC000181325599 1430273185 /nfs/dbraw/zinc/27/31/85/1430273185.db2.gz QRUOPDADPKBVAK-UHFFFAOYSA-N 0 2 375.425 3.438 20 0 GGADLN CCC(CC)[C@H]1C[C@@H](NC(=O)C2=NN(c3ccc(OC)cc3)CC2=O)CCO1 ZINC000181326242 1430273431 /nfs/dbraw/zinc/27/34/31/1430273431.db2.gz ASCSWIIXRPAMTL-HNAYVOBHSA-N 0 2 387.480 3.300 20 0 GGADLN CCC(=O)Nc1ccc(NS(=O)(=O)c2c(C)nn(CC(C)C)c2C)cc1 ZINC000181677626 1430340241 /nfs/dbraw/zinc/34/02/41/1430340241.db2.gz IOKWVYYCQPPGGJ-UHFFFAOYSA-N 0 2 378.498 3.305 20 0 GGADLN CC(=O)Nc1cc(NS(=O)(=O)c2c(C)nn(CC(C)C)c2C)ccc1C ZINC000181677457 1430340309 /nfs/dbraw/zinc/34/03/09/1430340309.db2.gz BFCZIWLNQCJDAK-UHFFFAOYSA-N 0 2 378.498 3.224 20 0 GGADLN Cc1nn(CC(C)C)c(C)c1S(=O)(=O)Nc1ccc(C(=O)NC(C)C)cc1 ZINC000181680128 1430340594 /nfs/dbraw/zinc/34/05/94/1430340594.db2.gz FMADPOGEKOEXLI-UHFFFAOYSA-N 0 2 392.525 3.095 20 0 GGADLN CCn1ncc2ccc(NS(=O)(=O)c3c(C)nn(CC(C)C)c3C)cc21 ZINC000181684452 1430341538 /nfs/dbraw/zinc/34/15/38/1430341538.db2.gz LAKMZECELXBALP-UHFFFAOYSA-N 0 2 375.498 3.326 20 0 GGADLN CCCc1c(NS(=O)(=O)c2c(C)n[nH]c2C)cnn1-c1cccc(F)c1 ZINC000181778518 1430358226 /nfs/dbraw/zinc/35/82/26/1430358226.db2.gz MQSANPNHNZGFCD-UHFFFAOYSA-N 0 2 377.445 3.105 20 0 GGADLN COc1ccccc1S(=O)(=O)Nc1ccc(Br)cc1C(C)=O ZINC000181806124 1430364336 /nfs/dbraw/zinc/36/43/36/1430364336.db2.gz JAGZQMJDNLWANL-UHFFFAOYSA-N 0 2 384.251 3.461 20 0 GGADLN Cn1ncc2c1[nH]cc(C(=O)N(Cc1ccc3c(c1)CCO3)C1CCCC1)c2=O ZINC000181927135 1430384530 /nfs/dbraw/zinc/38/45/30/1430384530.db2.gz VBEVRVQTNYNEMA-UHFFFAOYSA-N 0 2 392.459 3.194 20 0 GGADLN COCCCN1Cc2cccc(NS(=O)(=O)c3ccc(C)cc3F)c2C1 ZINC000182016945 1430396767 /nfs/dbraw/zinc/39/67/67/1430396767.db2.gz CTVLYAPCLBPQSC-UHFFFAOYSA-N 0 2 378.469 3.287 20 0 GGADLN CCCN(C(=O)c1c[nH]c2c(cnn2C)c1=O)[C@H]1C[C@@H](OCC)C12CCCC2 ZINC000182053288 1430402513 /nfs/dbraw/zinc/40/25/13/1430402513.db2.gz BCTXYXIRAMXNBO-DLBZAZTESA-N 0 2 386.496 3.264 20 0 GGADLN Cc1cc(F)ccc1N1CC(=O)C(C(=O)N2CCCCC[C@H]2c2ncon2)=N1 ZINC000182101058 1430411632 /nfs/dbraw/zinc/41/16/32/1430411632.db2.gz UQSYVOFKGAOKGX-HNNXBMFYSA-N 0 2 385.399 3.166 20 0 GGADLN CS(=O)(=O)Nc1cc(F)ccc1NC(=O)c1ccc(C(F)(F)F)cc1O ZINC000182116330 1430414601 /nfs/dbraw/zinc/41/46/01/1430414601.db2.gz FSWLWOAUJISQSA-UHFFFAOYSA-N 0 2 392.330 3.174 20 0 GGADLN Cn1cc[nH+]c1C([O-])=C(C#N)C(=O)CCc1nc2ccccc2n1-c1ccccc1 ZINC000182176588 1430424786 /nfs/dbraw/zinc/42/47/86/1430424786.db2.gz IPSRTIVAIYHOQC-QGZVFWFLSA-N 0 2 397.438 3.283 20 0 GGADLN CCc1n[nH]c(NC(=O)c2ccc(S(=O)(=O)Nc3cccc(C)c3C)cc2)n1 ZINC000182269477 1430440462 /nfs/dbraw/zinc/44/04/62/1430440462.db2.gz VGGLTHSLHGSFSG-UHFFFAOYSA-N 0 2 399.476 3.037 20 0 GGADLN CC(C)(C)c1cc(NS(=O)(=O)c2ccc3c(c2)OCO3)n(C(C)(C)C)n1 ZINC000182353518 1430452729 /nfs/dbraw/zinc/45/27/29/1430452729.db2.gz PCZYNMHPMDRQDM-UHFFFAOYSA-N 0 2 379.482 3.465 20 0 GGADLN Cc1cc(F)c([N+](=O)[O-])cc1S(=O)(=O)Nc1cnn(-c2ccccc2F)c1 ZINC000182403435 1430461033 /nfs/dbraw/zinc/46/10/33/1430461033.db2.gz GFVYBTXMFCBHSZ-UHFFFAOYSA-N 0 2 394.359 3.168 20 0 GGADLN Cc1c(NS(=O)(=O)c2cc([N+](=O)[O-])c(F)cc2C)cnn1-c1ccccc1 ZINC000182411011 1430462755 /nfs/dbraw/zinc/46/27/55/1430462755.db2.gz GOEOPPYGBJIFGO-UHFFFAOYSA-N 0 2 390.396 3.337 20 0 GGADLN CC(C)c1ccc(N2CC(=O)C(C(=O)N3CCC[C@H](C4(C)OCCO4)C3)=N2)cc1 ZINC000182420103 1430464684 /nfs/dbraw/zinc/46/46/84/1430464684.db2.gz UQTRVLVLQPSTSD-KRWDZBQOSA-N 0 2 399.491 3.317 20 0 GGADLN CCOC(=O)c1[nH]c(C)c(S(=O)(=O)Nc2cnoc2-c2ccccc2)c1C ZINC000182488399 1430476093 /nfs/dbraw/zinc/47/60/93/1430476093.db2.gz FPPZCWZKIPCAKE-UHFFFAOYSA-N 0 2 389.433 3.264 20 0 GGADLN CCc1cc(=O)c2cc(NS(=O)(=O)c3cc(F)c(F)cc3F)ccc2[nH]1 ZINC000182499808 1430478544 /nfs/dbraw/zinc/47/85/44/1430478544.db2.gz DMGWVEJIDILFRT-UHFFFAOYSA-N 0 2 382.363 3.309 20 0 GGADLN CCn1c(=O)c2ccc(C(=O)N(C)C[C@@H](C)c3nccs3)cc2[nH]c1=S ZINC000182511882 1430481215 /nfs/dbraw/zinc/48/12/15/1430481215.db2.gz IVRYGBBOVVTEIM-LLVKDONJSA-N 0 2 388.518 3.037 20 0 GGADLN Cc1ccc(Cn2nccc2NS(=O)(=O)c2c(C)nn(CC(C)C)c2C)o1 ZINC000182531731 1430484492 /nfs/dbraw/zinc/48/44/92/1430484492.db2.gz CNKAATHBQOJPQV-UHFFFAOYSA-N 0 2 391.497 3.103 20 0 GGADLN O=S(=O)(Nc1nnc(-c2ccccn2)s1)c1ccc(OCC(F)F)cc1 ZINC000182535964 1430485673 /nfs/dbraw/zinc/48/56/73/1430485673.db2.gz QPYSKGSJWDLJGM-UHFFFAOYSA-N 0 2 398.416 3.045 20 0 GGADLN COCc1cccc(S(=O)(=O)Nc2cc(CCc3ccccc3C)n[nH]2)c1 ZINC000182572396 1430495359 /nfs/dbraw/zinc/49/53/59/1430495359.db2.gz WTODLZQTEYVFQH-UHFFFAOYSA-N 0 2 385.489 3.451 20 0 GGADLN Cc1n[nH]c(NC(=O)[C@@H]2CC(=O)N(C(C)(C)C)[C@H]2c2ccc(Cl)c(F)c2)n1 ZINC000182632186 1430506238 /nfs/dbraw/zinc/50/62/38/1430506238.db2.gz NOZZOIBCHIXXCN-ABAIWWIYSA-N 0 2 393.850 3.232 20 0 GGADLN CCn1c(=O)c2ccc(C(=O)Nc3ccc(O)c(Cl)c3)cc2[nH]c1=S ZINC000182869811 1430557950 /nfs/dbraw/zinc/55/79/50/1430557950.db2.gz NQHWJTCVVMFYHN-UHFFFAOYSA-N 0 2 375.837 3.316 20 0 GGADLN COc1cc(Br)c(F)cc1S(=O)(=O)Nc1ccnc(Cl)c1 ZINC000182934891 1430575629 /nfs/dbraw/zinc/57/56/29/1430575629.db2.gz VWZAJMYISGZVOJ-UHFFFAOYSA-N 0 2 395.637 3.446 20 0 GGADLN CCCOC(=O)c1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccn2)cc1 ZINC000182946675 1430578426 /nfs/dbraw/zinc/57/84/26/1430578426.db2.gz VAGANYHSRXMFIQ-UHFFFAOYSA-N 0 2 388.367 3.468 20 0 GGADLN O=[N+]([O-])c1cc(S(=O)(=O)Nc2cc(C(F)(F)F)ccn2)ccc1Cl ZINC000182950168 1430578940 /nfs/dbraw/zinc/57/89/40/1430578940.db2.gz NTTITPPYEOUGGD-UHFFFAOYSA-N 0 2 381.719 3.463 20 0 GGADLN CN(C)C(=O)c1cccc(S(=O)(=O)Nc2ccc3cccc(Cl)c3n2)c1 ZINC000182962943 1430581526 /nfs/dbraw/zinc/58/15/26/1430581526.db2.gz VUQFGXQQFYAKIP-UHFFFAOYSA-N 0 2 389.864 3.391 20 0 GGADLN C[C@H](C#N)Oc1ccccc1NS(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1 ZINC000183134863 1430624874 /nfs/dbraw/zinc/62/48/74/1430624874.db2.gz MVQYCXLJWUECNB-SNVBAGLBSA-N 0 2 381.797 3.340 20 0 GGADLN CCCc1cnc(NS(=O)(=O)c2ccc(C(=O)N3CCCC3)c(F)c2)s1 ZINC000183201345 1430646554 /nfs/dbraw/zinc/64/65/54/1430646554.db2.gz RPFZJDAKJNDPOX-UHFFFAOYSA-N 0 2 397.497 3.272 20 0 GGADLN CCc1ncc(NC(=O)NNC(=O)c2sc3ccccc3c2Cl)cn1 ZINC000183326252 1430680174 /nfs/dbraw/zinc/68/01/74/1430680174.db2.gz CBUUOMVARLHYCR-UHFFFAOYSA-N 0 2 375.841 3.374 20 0 GGADLN O=C(N[C@H]1CN(C(=O)c2ccco2)CC[C@@H]1c1ccc(F)cc1)C(F)(F)F ZINC000183328094 1430680562 /nfs/dbraw/zinc/68/05/62/1430680562.db2.gz VWNWMCIUFCYEEY-KGLIPLIRSA-N 0 2 384.329 3.096 20 0 GGADLN Cc1ccc(C(=O)NNC(=O)Nc2ccc(Cl)cc2C(=O)c2ccc[nH]2)o1 ZINC000183360156 1430688866 /nfs/dbraw/zinc/68/88/66/1430688866.db2.gz PEIXPQSQQZOLMR-UHFFFAOYSA-N 0 2 386.795 3.267 20 0 GGADLN CSc1nnc(CCCNC(=O)c2cc(F)c(O)c(F)c2)n1CC(C)C ZINC000183401892 1430702103 /nfs/dbraw/zinc/70/21/03/1430702103.db2.gz BMYJSWOPQCBIGE-UHFFFAOYSA-N 0 2 384.452 3.002 20 0 GGADLN CCCC(=O)Nc1ccc(Cl)c(NC(=O)NNC(=O)c2ccc(C)o2)c1 ZINC000183425819 1430708530 /nfs/dbraw/zinc/70/85/30/1430708530.db2.gz NKTDSQKUCAYIAU-UHFFFAOYSA-N 0 2 378.816 3.447 20 0 GGADLN O=C(NCc1cccc(NC(=O)N2CCCC2)c1)c1cc(F)c(O)c(F)c1 ZINC000183450817 1430714776 /nfs/dbraw/zinc/71/47/76/1430714776.db2.gz AELDYCPKFHMTKO-UHFFFAOYSA-N 0 2 375.375 3.228 20 0 GGADLN O=C(N[C@@H]1CCN(c2ccccc2OC(F)F)C1)c1cc(F)c(O)c(F)c1 ZINC000183635818 1430760054 /nfs/dbraw/zinc/76/00/54/1430760054.db2.gz MPNXJOPNGAXFFD-LLVKDONJSA-N 0 2 384.329 3.281 20 0 GGADLN Cc1ccc(-c2nc(CCNC(=O)[C@@H](NC(=O)C(F)(F)F)C(C)C)co2)cc1 ZINC000183655620 1430764814 /nfs/dbraw/zinc/76/48/14/1430764814.db2.gz FGUKJVDMOQPTFA-HNNXBMFYSA-N 0 2 397.397 3.012 20 0 GGADLN CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)Nc1ccc2[nH]c(C(F)F)nc2c1 ZINC000183668218 1430767840 /nfs/dbraw/zinc/76/78/40/1430767840.db2.gz QFDSMVFSXAKJGH-JTQLQIEISA-N 0 2 378.301 3.142 20 0 GGADLN CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)N(C)Cc1ccccc1Br ZINC000183707934 1430778216 /nfs/dbraw/zinc/77/82/16/1430778216.db2.gz GTKTXOQEBSEQJX-LBPRGKRZSA-N 0 2 395.219 3.111 20 0 GGADLN O=C(NN1Cc2ccccc2C1=O)c1[nH]nc(-c2ccccc2)c1Br ZINC000183831528 1430802560 /nfs/dbraw/zinc/80/25/60/1430802560.db2.gz XGLHIDKKVGATJG-UHFFFAOYSA-N 0 2 397.232 3.140 20 0 GGADLN CCOc1cc(NC2CCN(C(=O)c3cc(F)cc(Cl)c3O)CC2)ncn1 ZINC000183857339 1430805803 /nfs/dbraw/zinc/80/58/03/1430805803.db2.gz IKIQXSCVGHYEGK-UHFFFAOYSA-N 0 2 394.834 3.090 20 0 GGADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)Nc1ccc(F)cc1Cl ZINC000183916089 1430812716 /nfs/dbraw/zinc/81/27/16/1430812716.db2.gz VYNVNPIOYLQTQB-UHFFFAOYSA-N 0 2 375.791 3.498 20 0 GGADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)Nc1ccc(Cl)cc1F ZINC000183922739 1430813695 /nfs/dbraw/zinc/81/36/95/1430813695.db2.gz MPZAYTKFRHBTQL-UHFFFAOYSA-N 0 2 375.791 3.498 20 0 GGADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)Nc1ccccc1N1CCCC1 ZINC000183970487 1430820746 /nfs/dbraw/zinc/82/07/46/1430820746.db2.gz GJVWUYGRMQJRPI-UHFFFAOYSA-N 0 2 392.463 3.306 20 0 GGADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)Nc1cc(Cl)ccc1F ZINC000183974089 1430821164 /nfs/dbraw/zinc/82/11/64/1430821164.db2.gz JWZIBOZRTNSGRJ-UHFFFAOYSA-N 0 2 375.791 3.498 20 0 GGADLN Cc1ccc(S(=O)(=O)Nc2ccccc2Sc2nncn2C)c(Cl)n1 ZINC000184049781 1430834112 /nfs/dbraw/zinc/83/41/12/1430834112.db2.gz BYLFUCVEKCKNLA-UHFFFAOYSA-N 0 2 395.897 3.124 20 0 GGADLN CCN(CC)C(=O)c1ccc(NS(=O)(=O)c2ccc(C)nc2Cl)cc1 ZINC000184049234 1430834148 /nfs/dbraw/zinc/83/41/48/1430834148.db2.gz ITUDMUZMTMFGNW-UHFFFAOYSA-N 0 2 381.885 3.326 20 0 GGADLN Cc1ccc(S(=O)(=O)Nc2cccc(N3CCCCC3=O)c2)c(Cl)n1 ZINC000184050992 1430834498 /nfs/dbraw/zinc/83/44/98/1430834498.db2.gz 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CCOc1ccc(-c2nnc(NS(=O)(=O)c3cccc(F)c3F)o2)cc1 ZINC000190347150 1432365420 /nfs/dbraw/zinc/36/54/20/1432365420.db2.gz BTZUCOQONUFXLG-UHFFFAOYSA-N 0 2 381.360 3.214 20 0 GGADLN CCOc1ccc(-c2nnc(NS(=O)(=O)c3ccc(F)c(C)c3)o2)cc1 ZINC000190347427 1432365578 /nfs/dbraw/zinc/36/55/78/1432365578.db2.gz MWXHHVVQIJBPSS-UHFFFAOYSA-N 0 2 377.397 3.384 20 0 GGADLN O=[N+]([O-])c1ccc(S(=O)(=O)Nc2nnc(-c3cccs3)o2)c(Cl)c1 ZINC000190350842 1432365747 /nfs/dbraw/zinc/36/57/47/1432365747.db2.gz WWPUXINZHPBHRU-UHFFFAOYSA-N 0 2 386.798 3.161 20 0 GGADLN CC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2nnc(-c3cccs3)o2)c1 ZINC000190348571 1432365916 /nfs/dbraw/zinc/36/59/16/1432365916.db2.gz ZCXIODJSTFBGST-UHFFFAOYSA-N 0 2 383.838 3.455 20 0 GGADLN O=C(Nc1cc(Cl)c(O)c(Cl)c1)[C@@H]1CC=CC[C@H]1C(=O)N1CCOCC1 ZINC000190374427 1432369317 /nfs/dbraw/zinc/36/93/17/1432369317.db2.gz VWRIWRCZZKAYPW-CHWSQXEVSA-N 0 2 399.274 3.079 20 0 GGADLN CCc1nc(C2CC[NH+]([C@@H](C)C(=O)NC34CC5CC(CC(C5)C3)C4)CC2)n[nH]1 ZINC000190644739 1432429883 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20 0 GGADLN O=S(=O)(c1ccc(O)c(-c2nc([C@@H]3CCC(F)(F)C3)no2)c1)N1CCCC1 ZINC000281431196 1435808685 /nfs/dbraw/zinc/80/86/85/1435808685.db2.gz PIVSIVJPQJDHTI-LLVKDONJSA-N 0 2 399.419 3.130 20 0 GGADLN CC(C)Cn1c(-c2cccn2C)nnc1N(C)Cc1nc(=O)c2sccc2[nH]1 ZINC000283026602 1435871067 /nfs/dbraw/zinc/87/10/67/1435871067.db2.gz MRXGWVVMUXOAPD-UHFFFAOYSA-N 0 2 397.508 3.286 20 0 GGADLN CC(C)Cn1c(-c2ccc[nH]2)nnc1N(C)Cc1nc(=O)c2sccc2[nH]1 ZINC000283150238 1435876873 /nfs/dbraw/zinc/87/68/73/1435876873.db2.gz XLRPEFXTAVZTBJ-UHFFFAOYSA-N 0 2 383.481 3.276 20 0 GGADLN CCn1c(Cc2ccccc2F)nnc1N(C)Cc1nc(=O)c2sccc2[nH]1 ZINC000283452836 1435890528 /nfs/dbraw/zinc/89/05/28/1435890528.db2.gz KZFQZESUQKXSJY-UHFFFAOYSA-N 0 2 398.467 3.375 20 0 GGADLN Cc1nnc(N(C)Cc2nc(=O)c3sccc3[nH]2)n1CCc1ccccc1 ZINC000283521124 1435893695 /nfs/dbraw/zinc/89/36/95/1435893695.db2.gz FSFHSEUKCRBKEE-UHFFFAOYSA-N 0 2 380.477 3.176 20 0 GGADLN CCn1c(-c2cccc(C)n2)nnc1N(C)Cc1nc(=O)c2sccc2[nH]1 ZINC000283578607 1435896377 /nfs/dbraw/zinc/89/63/77/1435896377.db2.gz WGOIIFJYYFOTBS-UHFFFAOYSA-N 0 2 381.465 3.015 20 0 GGADLN CCc1c(NS(=O)(=O)c2cnn(CC(F)F)c2)cnn1-c1ccccc1C ZINC000283812045 1435928591 /nfs/dbraw/zinc/92/85/91/1435928591.db2.gz INMGYIPURFIXEQ-UHFFFAOYSA-N 0 2 395.435 3.006 20 0 GGADLN CCn1c(-c2ccccc2OC)nnc1N(C)Cc1nc(=O)c2sccc2[nH]1 ZINC000284082592 1435987290 /nfs/dbraw/zinc/98/72/90/1435987290.db2.gz SDMMYOYYMADZTG-UHFFFAOYSA-N 0 2 396.476 3.320 20 0 GGADLN O=C(CC[N@@H+](CC(F)F)CC1CCC1)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826406650 1441556090 /nfs/dbraw/zinc/55/60/90/1441556090.db2.gz HAAYFYPTMOAZGL-UHFFFAOYSA-N 0 2 398.845 3.216 20 0 GGADLN O=C(CC[N@H+](CC(F)F)CC1CCC1)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000826406650 1441556094 /nfs/dbraw/zinc/55/60/94/1441556094.db2.gz HAAYFYPTMOAZGL-UHFFFAOYSA-N 0 2 398.845 3.216 20 0 GGADLN C[C@H](C(=O)OCc1ccc(Cl)cc1-c1nnn[n-]1)[N@@H+]1CCc2ccccc2C1 ZINC000824052799 1441655580 /nfs/dbraw/zinc/65/55/80/1441655580.db2.gz RULVVTSFGVLVHR-CYBMUJFWSA-N 0 2 397.866 3.010 20 0 GGADLN C[C@H](C(=O)OCc1ccc(Cl)cc1-c1nnn[n-]1)[N@H+]1CCc2ccccc2C1 ZINC000824052799 1441655582 /nfs/dbraw/zinc/65/55/82/1441655582.db2.gz RULVVTSFGVLVHR-CYBMUJFWSA-N 0 2 397.866 3.010 20 0 GGADLN C[C@@H]1COc2ccccc2C[N@@H+]1Cc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000825006432 1441881484 /nfs/dbraw/zinc/88/14/84/1441881484.db2.gz IVSOOGGNBAFAIE-GFCCVEGCSA-N 0 2 387.390 3.251 20 0 GGADLN C[C@@H]1COc2ccccc2C[N@H+]1Cc1ccc(-c2nnn[n-]2)cc1OC(F)F ZINC000825006432 1441881485 /nfs/dbraw/zinc/88/14/85/1441881485.db2.gz IVSOOGGNBAFAIE-GFCCVEGCSA-N 0 2 387.390 3.251 20 0 GGADLN Fc1ccc(Br)c(C[NH2+]Cc2ccc(-c3nnn[n-]3)cc2F)c1 ZINC000822761217 1441890492 /nfs/dbraw/zinc/89/04/92/1441890492.db2.gz CKVWMGGZSOHRTF-UHFFFAOYSA-N 0 2 380.196 3.197 20 0 GGADLN Cc1cc[nH+]c(N[C@H](C)c2noc(-c3ccc(Cl)cc3)n2)c1-c1nnn[n-]1 ZINC000826311447 1441904616 /nfs/dbraw/zinc/90/46/16/1441904616.db2.gz FGHVAMVTWHBHJT-SNVBAGLBSA-N 0 2 382.815 3.447 20 0 GGADLN COC[C@@H]([NH2+][C@@H](C)c1ccc(-c2nnn[n-]2)cc1F)c1ccc(F)c(F)c1 ZINC000826151000 1442046142 /nfs/dbraw/zinc/04/61/42/1442046142.db2.gz QYBLPPDJDWXVCV-DYZYQPBXSA-N 0 2 377.370 3.322 20 0 GGADLN COc1ccc(CC[C@H]2CCCCN2c2[nH+]cccc2-c2nnn[n-]2)cc1OC ZINC000821790493 1442061794 /nfs/dbraw/zinc/06/17/94/1442061794.db2.gz OZSMSHKZEWPFEQ-MRXNPFEDSA-N 0 2 394.479 3.271 20 0 GGADLN CC[C@H]([NH2+]Cc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1)c1ccccc1OC ZINC000825146498 1442064769 /nfs/dbraw/zinc/06/47/69/1442064769.db2.gz CLNXPYBMKXQXNF-INIZCTEOSA-N 0 2 391.435 3.166 20 0 GGADLN OCC[N@H+](Cc1ccc(Cl)c(Cl)c1)Cc1ccc(-c2nnn[n-]2)cc1F ZINC000826509647 1442212313 /nfs/dbraw/zinc/21/23/13/1442212313.db2.gz CECLZOLSKOJKKD-UHFFFAOYSA-N 0 2 396.253 3.307 20 0 GGADLN OCC[N@@H+](Cc1ccc(Cl)c(Cl)c1)Cc1ccc(-c2nnn[n-]2)cc1F ZINC000826509647 1442212317 /nfs/dbraw/zinc/21/23/17/1442212317.db2.gz CECLZOLSKOJKKD-UHFFFAOYSA-N 0 2 396.253 3.307 20 0 GGADLN Cc1cc[nH+]c(N[C@H](C)[C@H](O)c2c(Cl)cccc2Cl)c1-c1nnn[n-]1 ZINC000826311577 1442229026 /nfs/dbraw/zinc/22/90/26/1442229026.db2.gz IRBGCWZQHZKKEW-OTYXRUKQSA-N 0 2 379.251 3.411 20 0 GGADLN C[N@@H+]1CC[C@H](Nc2ncc(-c3nnn[n-]3)cc2Cl)[C@@H]1c1ccc(F)c(F)c1 ZINC000826029080 1442355100 /nfs/dbraw/zinc/35/51/00/1442355100.db2.gz NZQRBLYVPBMVBJ-GJZGRUSLSA-N 0 2 391.813 3.051 20 0 GGADLN C[N@H+]1CC[C@H](Nc2ncc(-c3nnn[n-]3)cc2Cl)[C@@H]1c1ccc(F)c(F)c1 ZINC000826029080 1442355105 /nfs/dbraw/zinc/35/51/05/1442355105.db2.gz NZQRBLYVPBMVBJ-GJZGRUSLSA-N 0 2 391.813 3.051 20 0 GGADLN FC(F)(F)c1ccccc1OCCNc1[nH+]c2c(cc1-c1nnn[n-]1)CCC2 ZINC000737636944 1442391081 /nfs/dbraw/zinc/39/10/81/1442391081.db2.gz WFFUMAJCKVPTTK-UHFFFAOYSA-N 0 2 390.369 3.260 20 0 GGADLN Cc1cc(C[NH2+]Cc2cccc(OCc3ccccc3-c3nnn[n-]3)c2)no1 ZINC000737264876 1442392277 /nfs/dbraw/zinc/39/22/77/1442392277.db2.gz QKCMZOBPQRPILE-UHFFFAOYSA-N 0 2 376.420 3.032 20 0 GGADLN O=C(OCc1ccc(F)c(-c2nnn[n-]2)c1)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000823421963 1443108583 /nfs/dbraw/zinc/10/85/83/1443108583.db2.gz LGHIAPHIUSFIDJ-IBGZPJMESA-N 0 2 395.438 3.104 20 0 GGADLN O=C(OCc1ccc(F)c(-c2nnn[n-]2)c1)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000823421963 1443108587 /nfs/dbraw/zinc/10/85/87/1443108587.db2.gz LGHIAPHIUSFIDJ-IBGZPJMESA-N 0 2 395.438 3.104 20 0 GGADLN C[C@H]([NH2+]Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1)c1ccc(Cl)cc1 ZINC000820438385 1443155514 /nfs/dbraw/zinc/15/55/14/1443155514.db2.gz OISOJZZDCBPRBP-NSHDSACASA-N 0 2 381.827 3.421 20 0 GGADLN COC(=O)[C@@H](c1ccc(-c2nnn[n-]2)cc1)[N@H+](C)CCCCc1ccccc1 ZINC000736899493 1443177159 /nfs/dbraw/zinc/17/71/59/1443177159.db2.gz AUTDFVVBFQDIDU-LJQANCHMSA-N 0 2 379.464 3.036 20 0 GGADLN COC(=O)[C@@H](c1ccc(-c2nnn[n-]2)cc1)[N@@H+](C)CCCCc1ccccc1 ZINC000736899493 1443177161 /nfs/dbraw/zinc/17/71/61/1443177161.db2.gz AUTDFVVBFQDIDU-LJQANCHMSA-N 0 2 379.464 3.036 20 0 GGADLN C[C@@H]1C[C@@H]1c1ccc(C[N@H+](Cc2cnc3ccc(-c4nnn[n-]4)cn23)C2CC2)o1 ZINC000824900047 1443534793 /nfs/dbraw/zinc/53/47/93/1443534793.db2.gz SCSHJNGYYJPPJU-ACJLOTCBSA-N 0 2 389.463 3.395 20 0 GGADLN C[C@@H]1C[C@@H]1c1ccc(C[N@@H+](Cc2cnc3ccc(-c4nnn[n-]4)cn23)C2CC2)o1 ZINC000824900047 1443534797 /nfs/dbraw/zinc/53/47/97/1443534797.db2.gz SCSHJNGYYJPPJU-ACJLOTCBSA-N 0 2 389.463 3.395 20 0 GGADLN CCc1ccc(-c2noc(C[NH2+][C@@H](C)c3ccc(-c4nnn[n-]4)cc3)n2)cc1 ZINC000825700905 1443567556 /nfs/dbraw/zinc/56/75/56/1443567556.db2.gz YNNAOVNEZUYZCD-ZDUSSCGKSA-N 0 2 375.436 3.330 20 0 GGADLN FC(F)Oc1cc(-c2nnn[n-]2)ccc1C[NH2+]C1(c2nccs2)CCCC1 ZINC000822732888 1443615414 /nfs/dbraw/zinc/61/54/14/1443615414.db2.gz NTBSEIARNMNGPL-UHFFFAOYSA-N 0 2 392.435 3.484 20 0 GGADLN O[C@@H](CNc1[nH+]c2c(cc1-c1nnn[n-]1)CCCC2)c1ccc(Cl)c(F)c1 ZINC000826503630 1443626261 /nfs/dbraw/zinc/62/62/61/1443626261.db2.gz BQRVKOLFRBHENG-INIZCTEOSA-N 0 2 388.834 3.079 20 0 GGADLN COc1cc(-c2noc(C[NH2+][C@@H](C)c3ccc(-c4nnn[n-]4)cc3)n2)ccc1C ZINC000826176600 1443636840 /nfs/dbraw/zinc/63/68/40/1443636840.db2.gz VWBQURYJSYEIQZ-ZDUSSCGKSA-N 0 2 391.435 3.085 20 0 GGADLN Fc1c(C[N@H+]2CC=C(c3c[nH]c4ncccc34)CC2)cccc1-c1nnn[n-]1 ZINC000826370249 1443642868 /nfs/dbraw/zinc/64/28/68/1443642868.db2.gz KBPVTGQJSASGNZ-UHFFFAOYSA-N 0 2 375.411 3.171 20 0 GGADLN Fc1c(C[N@@H+]2CC=C(c3c[nH]c4ncccc34)CC2)cccc1-c1nnn[n-]1 ZINC000826370249 1443642870 /nfs/dbraw/zinc/64/28/70/1443642870.db2.gz KBPVTGQJSASGNZ-UHFFFAOYSA-N 0 2 375.411 3.171 20 0 GGADLN Cc1ccc(CNc2[nH+]c(C)ccc2-c2nnn[n-]2)c(OC[C@@H]2CCCO2)c1 ZINC000826288764 1443678220 /nfs/dbraw/zinc/67/82/20/1443678220.db2.gz VRWABBWWYUILFY-INIZCTEOSA-N 0 2 380.452 3.048 20 0 GGADLN C[C@H](Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824991397 1443718013 /nfs/dbraw/zinc/71/80/13/1443718013.db2.gz APRKHIZFRSSNKO-MJBXVCDLSA-N 0 2 397.458 3.188 20 0 GGADLN O=C(C[N@H+]1CCCC[C@@H]1c1ccc(F)cc1)Nc1sccc1-c1nnn[n-]1 ZINC000822998019 1443771915 /nfs/dbraw/zinc/77/19/15/1443771915.db2.gz YQBXFRJYFFWMED-OAHLLOKOSA-N 0 2 386.456 3.233 20 0 GGADLN O=C(C[N@@H+]1CCCC[C@@H]1c1ccc(F)cc1)Nc1sccc1-c1nnn[n-]1 ZINC000822998019 1443771917 /nfs/dbraw/zinc/77/19/17/1443771917.db2.gz YQBXFRJYFFWMED-OAHLLOKOSA-N 0 2 386.456 3.233 20 0 GGADLN C[C@H](Nc1ccc(N2C[C@@H](C)O[C@H](C)C2)[nH+]c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824991707 1443780447 /nfs/dbraw/zinc/78/04/47/1443780447.db2.gz FNWLSMVGPHVTTQ-MCIONIFRSA-N 0 2 397.458 3.188 20 0 GGADLN Clc1cc(N[C@@H](C[NH+]2CCOCC2)c2ccccc2)ccc1-c1nnn[n-]1 ZINC000737566485 1443940947 /nfs/dbraw/zinc/94/09/47/1443940947.db2.gz TZOIYQOLLFSRDZ-SFHVURJKSA-N 0 2 384.871 3.006 20 0 GGADLN c1ccc(-c2nc(N3CCCN(c4ccccc4-c4nnn[n-]4)CC3)cc[nH+]2)cc1 ZINC000738424257 1443972629 /nfs/dbraw/zinc/97/26/29/1443972629.db2.gz XWEAVVJCCIFTBY-UHFFFAOYSA-N 0 2 398.474 3.040 20 0 GGADLN C[C@H]([NH2+]Cc1nnc(-c2ccc(Cl)cc2)o1)c1cccc(-c2nnn[n-]2)c1 ZINC000824633609 1443975639 /nfs/dbraw/zinc/97/56/39/1443975639.db2.gz PQCLHPPMMZRJRS-NSHDSACASA-N 0 2 381.827 3.421 20 0 GGADLN COc1ccccc1[C@H]1CCCC[N@@H+]1CC(=O)Nc1sccc1-c1nnn[n-]1 ZINC000821891047 1446156027 /nfs/dbraw/zinc/15/60/27/1446156027.db2.gz UEZVFZUFJUHZSB-OAHLLOKOSA-N 0 2 398.492 3.103 20 0 GGADLN COc1ccccc1[C@H]1CCCC[N@H+]1CC(=O)Nc1sccc1-c1nnn[n-]1 ZINC000821891047 1446156032 /nfs/dbraw/zinc/15/60/32/1446156032.db2.gz UEZVFZUFJUHZSB-OAHLLOKOSA-N 0 2 398.492 3.103 20 0 GGADLN C[C@@H]([NH2+]Cc1nnc(-c2ccc(Cl)cc2)o1)c1ccc(-c2nnn[n-]2)cc1 ZINC000824633653 1446282477 /nfs/dbraw/zinc/28/24/77/1446282477.db2.gz PZJXFWXZPRBXSA-LLVKDONJSA-N 0 2 381.827 3.421 20 0 GGADLN Cc1cccc(OCC[N@@H+](C)Cn2ccc(-c3ccc(-c4nnn[n-]4)cc3)n2)c1 ZINC000737411595 1446381165 /nfs/dbraw/zinc/38/11/65/1446381165.db2.gz MKVVAVJVMWZDNR-UHFFFAOYSA-N 0 2 389.463 3.007 20 0 GGADLN Cc1cccc(OCC[N@H+](C)Cn2ccc(-c3ccc(-c4nnn[n-]4)cc3)n2)c1 ZINC000737411595 1446381170 /nfs/dbraw/zinc/38/11/70/1446381170.db2.gz MKVVAVJVMWZDNR-UHFFFAOYSA-N 0 2 389.463 3.007 20 0 GGADLN Cc1ccc(-c2nnn[n-]2)c(NC[C@H](C)Oc2cccc(Br)c2)[nH+]1 ZINC000826275776 1446447137 /nfs/dbraw/zinc/44/71/37/1446447137.db2.gz KIINMKMOCHLPIA-NSHDSACASA-N 0 2 389.257 3.212 20 0 GGADLN Fc1cccc2c1CC[N@@H+](Cc1ccc(-c3nnn[n-]3)cc1OC(F)F)C2 ZINC000826377878 1446487790 /nfs/dbraw/zinc/48/77/90/1446487790.db2.gz KMPAPYQEHBORLI-UHFFFAOYSA-N 0 2 375.354 3.166 20 0 GGADLN Fc1cccc2c1CC[N@H+](Cc1ccc(-c3nnn[n-]3)cc1OC(F)F)C2 ZINC000826377878 1446487794 /nfs/dbraw/zinc/48/77/94/1446487794.db2.gz KMPAPYQEHBORLI-UHFFFAOYSA-N 0 2 375.354 3.166 20 0 GGADLN CC[C@@](C)([NH2+]Cc1ccc(-c2nnn[n-]2)cc1OC(F)F)c1nccs1 ZINC000820853911 1446504181 /nfs/dbraw/zinc/50/41/81/1446504181.db2.gz PTBQGHGZCPPXFO-MRXNPFEDSA-N 0 2 380.424 3.340 20 0 GGADLN Clc1ccc2nc(C[N@H+]3CC=C(c4ccc(-c5nnn[n-]5)cc4)CC3)cn2c1 ZINC000826352967 1446512859 /nfs/dbraw/zinc/51/28/59/1446512859.db2.gz VZTPFJOCYQMBKY-UHFFFAOYSA-N 0 2 391.866 3.457 20 0 GGADLN Clc1ccc2nc(C[N@@H+]3CC=C(c4ccc(-c5nnn[n-]5)cc4)CC3)cn2c1 ZINC000826352967 1446512862 /nfs/dbraw/zinc/51/28/62/1446512862.db2.gz VZTPFJOCYQMBKY-UHFFFAOYSA-N 0 2 391.866 3.457 20 0 GGADLN COc1ccc(-c2noc([C@H](C)[NH2+][C@H](C)c3ccc(-c4nnn[n-]4)cc3)n2)cc1 ZINC000821766367 1446515980 /nfs/dbraw/zinc/51/59/80/1446515980.db2.gz UXNZPPQATFMNAD-OLZOCXBDSA-N 0 2 391.435 3.337 20 0 GGADLN C[C@@H]1C[N@H+](CCCOc2cccc(-c3nnn[n-]3)c2)C[C@H](c2ccsc2)O1 ZINC000820759200 1446641518 /nfs/dbraw/zinc/64/15/18/1446641518.db2.gz ITKAORVDFDQHEZ-RDTXWAMCSA-N 0 2 385.493 3.159 20 0 GGADLN C[C@@H]1C[N@@H+](CCCOc2cccc(-c3nnn[n-]3)c2)C[C@H](c2ccsc2)O1 ZINC000820759200 1446641521 /nfs/dbraw/zinc/64/15/21/1446641521.db2.gz ITKAORVDFDQHEZ-RDTXWAMCSA-N 0 2 385.493 3.159 20 0 GGADLN C[C@H](Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824991709 1446708484 /nfs/dbraw/zinc/70/84/84/1446708484.db2.gz FNWLSMVGPHVTTQ-MJBXVCDLSA-N 0 2 397.458 3.188 20 0 GGADLN CCCc1sc(C(=O)OCCNc2[nH+]cccc2-c2nnn[n-]2)cc1CC ZINC000736501098 1446781816 /nfs/dbraw/zinc/78/18/16/1446781816.db2.gz XOSUJMPRUHIFAV-UHFFFAOYSA-N 0 2 386.481 3.107 20 0 GGADLN c1sc(C2CCN(c3[nH+]cccc3-c3nnn[n-]3)CC2)nc1-c1ccncc1 ZINC000823808921 1446967478 /nfs/dbraw/zinc/96/74/78/1446967478.db2.gz FOBWQXYANUKXOR-UHFFFAOYSA-N 0 2 390.476 3.164 20 0 GGADLN Cc1oc(NC(=O)[C@H](C)[N@@H+]2Cc3ccccc3C(C)(C)C2)c(-c2nnn[n-]2)c1C ZINC000826341567 1446993121 /nfs/dbraw/zinc/99/31/21/1446993121.db2.gz KPBJYUIPVRSHAQ-ZDUSSCGKSA-N 0 2 394.479 3.197 20 0 GGADLN Cc1oc(NC(=O)[C@H](C)[N@H+]2Cc3ccccc3C(C)(C)C2)c(-c2nnn[n-]2)c1C ZINC000826341567 1446993124 /nfs/dbraw/zinc/99/31/24/1446993124.db2.gz KPBJYUIPVRSHAQ-ZDUSSCGKSA-N 0 2 394.479 3.197 20 0 GGADLN Cc1ccc([C@@H]2CCCCC[N@@H+]2CC(=O)Nc2cccc(-c3nnn[n-]3)c2)o1 ZINC000737329775 1447015627 /nfs/dbraw/zinc/01/56/27/1447015627.db2.gz KZWXMXMXOIZOKE-KRWDZBQOSA-N 0 2 380.452 3.324 20 0 GGADLN Cc1ccc([C@@H]2CCCCC[N@H+]2CC(=O)Nc2cccc(-c3nnn[n-]3)c2)o1 ZINC000737329775 1447015633 /nfs/dbraw/zinc/01/56/33/1447015633.db2.gz KZWXMXMXOIZOKE-KRWDZBQOSA-N 0 2 380.452 3.324 20 0 GGADLN Cc1cc(-c2noc(C[NH2+][C@H](C)c3ccc(-c4nnn[n-]4)cc3)n2)ccc1F ZINC000826256536 1447126285 /nfs/dbraw/zinc/12/62/85/1447126285.db2.gz OKVIGRQYCWWHLP-GFCCVEGCSA-N 0 2 379.399 3.215 20 0 GGADLN COc1ccc([C@@H](C)[N@H+](C)Cc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)cc1 ZINC000821777998 1447214779 /nfs/dbraw/zinc/21/47/79/1447214779.db2.gz RILXADHEVGXUJU-CYBMUJFWSA-N 0 2 391.435 3.118 20 0 GGADLN COc1ccc([C@@H](C)[N@@H+](C)Cc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)cc1 ZINC000821777998 1447214784 /nfs/dbraw/zinc/21/47/84/1447214784.db2.gz RILXADHEVGXUJU-CYBMUJFWSA-N 0 2 391.435 3.118 20 0 GGADLN FC(F)(F)c1cccc(OC2C[NH+](Cc3cccc(-c4nnn[n-]4)c3)C2)c1 ZINC001139853196 1447278518 /nfs/dbraw/zinc/27/85/18/1447278518.db2.gz FSDVCJXPXDCYIH-UHFFFAOYSA-N 0 2 375.354 3.149 20 0 GGADLN Cc1cc(NCc2cn(C)nc2-c2ccc(-c3nnn[n-]3)cc2)ccc1[NH+](C)C ZINC000826271451 1447342161 /nfs/dbraw/zinc/34/21/61/1447342161.db2.gz RRSPXLJMPNQWHL-UHFFFAOYSA-N 0 2 388.479 3.254 20 0 GGADLN Cc1nn(C)c(Cl)c1[C@@H]1CCC[N@@H+]1Cc1cccc(-c2nnn[n-]2)c1F ZINC000826333620 1449257797 /nfs/dbraw/zinc/25/77/97/1449257797.db2.gz OXNFLHHIBBOWOH-ZDUSSCGKSA-N 0 2 375.839 3.038 20 0 GGADLN Cc1nn(C)c(Cl)c1[C@@H]1CCC[N@H+]1Cc1cccc(-c2nnn[n-]2)c1F ZINC000826333620 1449257801 /nfs/dbraw/zinc/25/78/01/1449257801.db2.gz OXNFLHHIBBOWOH-ZDUSSCGKSA-N 0 2 375.839 3.038 20 0 GGADLN COc1ccc(C[N@H+](C)Cc2ccc(-c3nnn[n-]3)cc2Br)cc1 ZINC000826192912 1449501840 /nfs/dbraw/zinc/50/18/40/1449501840.db2.gz HTMGJSTXNCUPRZ-UHFFFAOYSA-N 0 2 388.269 3.270 20 0 GGADLN COc1ccc(C[N@@H+](C)Cc2ccc(-c3nnn[n-]3)cc2Br)cc1 ZINC000826192912 1449501844 /nfs/dbraw/zinc/50/18/44/1449501844.db2.gz HTMGJSTXNCUPRZ-UHFFFAOYSA-N 0 2 388.269 3.270 20 0 GGADLN O=C(C[N@H+]1CCCC[C@H]1c1ccc(F)cc1)Nc1sccc1-c1nnn[n-]1 ZINC000822998016 1449621912 /nfs/dbraw/zinc/62/19/12/1449621912.db2.gz YQBXFRJYFFWMED-HNNXBMFYSA-N 0 2 386.456 3.233 20 0 GGADLN O=C(C[N@@H+]1CCCC[C@H]1c1ccc(F)cc1)Nc1sccc1-c1nnn[n-]1 ZINC000822998016 1449621916 /nfs/dbraw/zinc/62/19/16/1449621916.db2.gz YQBXFRJYFFWMED-HNNXBMFYSA-N 0 2 386.456 3.233 20 0 GGADLN CC(C)COc1ccccc1C[N@@H+]1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000824271140 1449690201 /nfs/dbraw/zinc/69/02/01/1449690201.db2.gz LFEWMPAGESFVHP-OAQYLSRUSA-N 0 2 393.491 3.475 20 0 GGADLN CC(C)COc1ccccc1C[N@H+]1CCO[C@@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000824271140 1449690205 /nfs/dbraw/zinc/69/02/05/1449690205.db2.gz LFEWMPAGESFVHP-OAQYLSRUSA-N 0 2 393.491 3.475 20 0 GGADLN Clc1cccc(NC[C@@H](c2cccs2)[NH+]2CCOCC2)c1-c1nnn[n-]1 ZINC000822585516 1449821242 /nfs/dbraw/zinc/82/12/42/1449821242.db2.gz BSPGYCHFZBFXGN-AWEZNQCLSA-N 0 2 390.900 3.067 20 0 GGADLN Fc1ccc(C[N@H+]2CC=C(c3c[nH]c4ncccc34)CC2)c(-c2nnn[n-]2)c1 ZINC000737652306 1449925142 /nfs/dbraw/zinc/92/51/42/1449925142.db2.gz WNSWHFSRMYFUFG-UHFFFAOYSA-N 0 2 375.411 3.171 20 0 GGADLN Fc1ccc(C[N@@H+]2CC=C(c3c[nH]c4ncccc34)CC2)c(-c2nnn[n-]2)c1 ZINC000737652306 1449925143 /nfs/dbraw/zinc/92/51/43/1449925143.db2.gz WNSWHFSRMYFUFG-UHFFFAOYSA-N 0 2 375.411 3.171 20 0 GGADLN Cc1nccn1[C@H]1CCCN(c2c(-c3nnn[n-]3)c[nH+]c3c(C)cc(C)cc32)C1 ZINC000822195440 1449930616 /nfs/dbraw/zinc/93/06/16/1449930616.db2.gz RQYIWPFNXCKRJG-INIZCTEOSA-N 0 2 388.479 3.378 20 0 GGADLN Cc1cccc(-c2c[nH]c([C@@H]3CCC[N@@H+]3Cc3ccc(-c4nnn[n-]4)o3)n2)c1 ZINC000826295539 1449978838 /nfs/dbraw/zinc/97/88/38/1449978838.db2.gz LYFCURGEGUZOEQ-KRWDZBQOSA-N 0 2 375.436 3.495 20 0 GGADLN Cc1cccc(-c2c[nH]c([C@@H]3CCC[N@H+]3Cc3ccc(-c4nnn[n-]4)o3)n2)c1 ZINC000826295539 1449978841 /nfs/dbraw/zinc/97/88/41/1449978841.db2.gz LYFCURGEGUZOEQ-KRWDZBQOSA-N 0 2 375.436 3.495 20 0 GGADLN C[C@@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824548299 1450106862 /nfs/dbraw/zinc/10/68/62/1450106862.db2.gz VSLKDJOMOXQNFM-MRXNPFEDSA-N 0 2 394.498 3.364 20 0 GGADLN C[C@@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)c1ccc(-c2nn[n-]n2)c(F)c1 ZINC000824548299 1450106873 /nfs/dbraw/zinc/10/68/73/1450106873.db2.gz VSLKDJOMOXQNFM-MRXNPFEDSA-N 0 2 394.498 3.364 20 0 GGADLN FC(F)(F)c1cccc(OC2C[NH+](Cc3ccc(-c4nnn[n-]4)cc3)C2)c1 ZINC001139093734 1450120086 /nfs/dbraw/zinc/12/00/86/1450120086.db2.gz DWGIKCFHCDNJBW-UHFFFAOYSA-N 0 2 375.354 3.149 20 0 GGADLN Clc1cc(NC[C@H](c2cccs2)[NH+]2CCOCC2)ccc1-c1nnn[n-]1 ZINC000737565040 1450340706 /nfs/dbraw/zinc/34/07/06/1450340706.db2.gz MXTIZOJLJWJOQL-OAHLLOKOSA-N 0 2 390.900 3.067 20 0 GGADLN Cc1cc(N2CCC[C@@H](n3cc[nH+]c3)C2)n2c3ccccc3nc2c1-c1nnn[n-]1 ZINC000737271101 1450373507 /nfs/dbraw/zinc/37/35/07/1450373507.db2.gz IQGRCEHFZPEPPL-OAHLLOKOSA-N 0 2 399.462 3.014 20 0 GGADLN Brc1cccc2c1CC[N@H+](Cc1ccc(-c3nnn[n-]3)s1)C2 ZINC000823832471 1450468553 /nfs/dbraw/zinc/46/85/53/1450468553.db2.gz PBMHLPYWCUVYKG-UHFFFAOYSA-N 0 2 376.283 3.249 20 0 GGADLN Brc1cccc2c1CC[N@@H+](Cc1ccc(-c3nnn[n-]3)s1)C2 ZINC000823832471 1450468557 /nfs/dbraw/zinc/46/85/57/1450468557.db2.gz PBMHLPYWCUVYKG-UHFFFAOYSA-N 0 2 376.283 3.249 20 0 GGADLN CC[C@](NC(=O)NCCCCn1cc[nH+]c1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC000908862172 939339939 /nfs/dbraw/zinc/33/99/39/939339939.db2.gz NCSASCIPAFYNNE-GOSISDBHSA-N 0 2 378.860 3.006 20 0 GGADLN Cc1cc(CNC(=O)N[C@H](C(=O)[O-])c2ccc(C(F)(F)F)cc2)cc(C)[nH+]1 ZINC000909024694 939371051 /nfs/dbraw/zinc/37/10/51/939371051.db2.gz HEUSMZVKHNYVFX-HNNXBMFYSA-N 0 2 381.354 3.342 20 0 GGADLN Cc1cc(CNC(=O)N[C@@H](C(=O)[O-])c2ccc(C(F)(F)F)cc2)cc(C)[nH+]1 ZINC000909024695 939371060 /nfs/dbraw/zinc/37/10/60/939371060.db2.gz HEUSMZVKHNYVFX-OAHLLOKOSA-N 0 2 381.354 3.342 20 0 GGADLN CC[N@H+](CC(=O)N[C@@H](C(=O)[O-])c1ccccc1F)Cc1ccccc1Cl ZINC000909360525 939399710 /nfs/dbraw/zinc/39/97/10/939399710.db2.gz TZMIBLJCPPKOPI-GOSISDBHSA-N 0 2 378.831 3.243 20 0 GGADLN CC[N@@H+](CC(=O)N[C@@H](C(=O)[O-])c1ccccc1F)Cc1ccccc1Cl ZINC000909360525 939399714 /nfs/dbraw/zinc/39/97/14/939399714.db2.gz TZMIBLJCPPKOPI-GOSISDBHSA-N 0 2 378.831 3.243 20 0 GGADLN O=C([O-])[C@H](C(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1)C1CCCC1 ZINC000663084180 939853652 /nfs/dbraw/zinc/85/36/52/939853652.db2.gz HILXKUVWNAMTOC-WMZOPIPTSA-N 0 2 396.890 3.451 20 0 GGADLN O=C([O-])[C@H](C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1)C1CCCC1 ZINC000663084180 939853653 /nfs/dbraw/zinc/85/36/53/939853653.db2.gz HILXKUVWNAMTOC-WMZOPIPTSA-N 0 2 396.890 3.451 20 0 GGADLN O=S(=O)(Nc1cc(Cl)ccc1-c1nn[nH]n1)c1cc(F)ccc1Cl ZINC000826492463 948406511 /nfs/dbraw/zinc/40/65/11/948406511.db2.gz MGZJYIKHYITMDK-UHFFFAOYSA-N 0 2 388.211 3.113 20 0 GGADLN CC[C@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)C2(C(=O)[O-])CCCCC2)CC1 ZINC001589586238 949051359 /nfs/dbraw/zinc/05/13/59/949051359.db2.gz QTWFTFYYACCMSZ-GOSISDBHSA-N 0 2 376.472 3.456 20 0 GGADLN CC[C@]1(C(=O)[O-])CCC[N@@H+]([C@@H](C(=O)OC)c2cccc(Br)c2)C1 ZINC001589605294 949246609 /nfs/dbraw/zinc/24/66/09/949246609.db2.gz RAJDRGGBCJNALP-PBHICJAKSA-N 0 2 384.270 3.240 20 0 GGADLN CC[C@]1(C(=O)[O-])CCC[N@H+]([C@@H](C(=O)OC)c2cccc(Br)c2)C1 ZINC001589605294 949246630 /nfs/dbraw/zinc/24/66/30/949246630.db2.gz RAJDRGGBCJNALP-PBHICJAKSA-N 0 2 384.270 3.240 20 0 GGADLN CC[C@@]1(C(=O)[O-])CCC[N@@H+]([C@H](C(=O)OC)c2cccc(Br)c2)C1 ZINC001589605296 949247581 /nfs/dbraw/zinc/24/75/81/949247581.db2.gz RAJDRGGBCJNALP-WMLDXEAASA-N 0 2 384.270 3.240 20 0 GGADLN CC[C@@]1(C(=O)[O-])CCC[N@H+]([C@H](C(=O)OC)c2cccc(Br)c2)C1 ZINC001589605296 949247602 /nfs/dbraw/zinc/24/76/02/949247602.db2.gz RAJDRGGBCJNALP-WMLDXEAASA-N 0 2 384.270 3.240 20 0 GGADLN O=C([O-])c1ccc(C[NH2+]Cc2nnc(-c3ccc(Br)cc3)[nH]2)cc1 ZINC001595230380 949337980 /nfs/dbraw/zinc/33/79/80/949337980.db2.gz FNLMRDOBTMIGFQ-UHFFFAOYSA-N 0 2 387.237 3.222 20 0 GGADLN O=C([O-])c1ccc(NC(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c(F)c1 ZINC001595235379 949387714 /nfs/dbraw/zinc/38/77/14/949387714.db2.gz OPICEUPBMZXSRK-AWEZNQCLSA-N 0 2 386.427 3.468 20 0 GGADLN O=C([O-])c1ccccc1OCC[N@@H+]1CCCC[C@H]1C(=O)OCc1ccccc1 ZINC001595257763 949635883 /nfs/dbraw/zinc/63/58/83/949635883.db2.gz NKBFRAAXSCSLIW-IBGZPJMESA-N 0 2 383.444 3.362 20 0 GGADLN O=C([O-])c1ccccc1OCC[N@H+]1CCCC[C@H]1C(=O)OCc1ccccc1 ZINC001595257763 949635900 /nfs/dbraw/zinc/63/59/00/949635900.db2.gz NKBFRAAXSCSLIW-IBGZPJMESA-N 0 2 383.444 3.362 20 0 GGADLN C[C@@H]1C[C@@H](C(=O)[O-])C[N@H+](Cc2ncc(Br)cc2Br)C1 ZINC000263015180 950215170 /nfs/dbraw/zinc/21/51/70/950215170.db2.gz CVUGPFVEQFENLY-RKDXNWHRSA-N 0 2 392.091 3.149 20 0 GGADLN C[C@@H]1C[C@@H](C(=O)[O-])C[N@@H+](Cc2ncc(Br)cc2Br)C1 ZINC000263015180 950215189 /nfs/dbraw/zinc/21/51/89/950215189.db2.gz CVUGPFVEQFENLY-RKDXNWHRSA-N 0 2 392.091 3.149 20 0 GGADLN C[C@H]1C[C@@H](C(=O)[O-])C[N@H+](Cc2ncc(Br)cc2Br)C1 ZINC000263015176 950215921 /nfs/dbraw/zinc/21/59/21/950215921.db2.gz CVUGPFVEQFENLY-DTWKUNHWSA-N 0 2 392.091 3.149 20 0 GGADLN C[C@H]1C[C@@H](C(=O)[O-])C[N@@H+](Cc2ncc(Br)cc2Br)C1 ZINC000263015176 950215934 /nfs/dbraw/zinc/21/59/34/950215934.db2.gz CVUGPFVEQFENLY-DTWKUNHWSA-N 0 2 392.091 3.149 20 0 GGADLN C[C@H](C(=O)[O-])[N@H+](CC(=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1)C1CC1 ZINC000263046846 950232003 /nfs/dbraw/zinc/23/20/03/950232003.db2.gz DBFZGZLZWZQBBZ-GFCCVEGCSA-N 0 2 384.398 3.134 20 0 GGADLN C[C@H](C(=O)[O-])[N@@H+](CC(=O)N(Cc1ccc(C(F)(F)F)cc1)C1CC1)C1CC1 ZINC000263046846 950232022 /nfs/dbraw/zinc/23/20/22/950232022.db2.gz DBFZGZLZWZQBBZ-GFCCVEGCSA-N 0 2 384.398 3.134 20 0 GGADLN C[C@@H](C(=O)[O-])[N@H+](CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1)C1CC1 ZINC000263157249 950300784 /nfs/dbraw/zinc/30/07/84/950300784.db2.gz QDMDIIBSCKKBKT-AWEZNQCLSA-N 0 2 384.480 3.046 20 0 GGADLN C[C@@H](C(=O)[O-])[N@@H+](CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1)C1CC1 ZINC000263157249 950300803 /nfs/dbraw/zinc/30/08/03/950300803.db2.gz QDMDIIBSCKKBKT-AWEZNQCLSA-N 0 2 384.480 3.046 20 0 GGADLN CCOc1ccccc1C[N@@H+]1CCN(C(=O)c2cccc(C(=O)[O-])c2)[C@@H](C)C1 ZINC000263397915 950436250 /nfs/dbraw/zinc/43/62/50/950436250.db2.gz FVMVXXSAZLRMSC-INIZCTEOSA-N 0 2 382.460 3.130 20 0 GGADLN CCOc1ccccc1C[N@H+]1CCN(C(=O)c2cccc(C(=O)[O-])c2)[C@@H](C)C1 ZINC000263397915 950436262 /nfs/dbraw/zinc/43/62/62/950436262.db2.gz FVMVXXSAZLRMSC-INIZCTEOSA-N 0 2 382.460 3.130 20 0 GGADLN O=C([O-])c1cccc(C[NH+]2CCN(C(=O)c3ccc(F)cc3Cl)CC2)c1 ZINC000263508481 950496063 /nfs/dbraw/zinc/49/60/63/950496063.db2.gz XYPHIYXNBHGBBK-UHFFFAOYSA-N 0 2 376.815 3.135 20 0 GGADLN CC(=O)c1cccc(NC(=O)C[NH+]2CCC(c3ccccc3C(=O)[O-])CC2)c1 ZINC000363847106 951136183 /nfs/dbraw/zinc/13/61/83/951136183.db2.gz DEDIYWNQHIZEJO-UHFFFAOYSA-N 0 2 380.444 3.406 20 0 GGADLN CCOCN(C(=O)C[N@@H+]1[C@H](C)CCC[C@@H]1C(=O)[O-])c1c(C)cccc1CC ZINC001591976991 951250627 /nfs/dbraw/zinc/25/06/27/951250627.db2.gz JQMYVKOVDSRJAR-SJLPKXTDSA-N 0 2 376.497 3.212 20 0 GGADLN CCOCN(C(=O)C[N@H+]1[C@H](C)CCC[C@@H]1C(=O)[O-])c1c(C)cccc1CC ZINC001591976991 951250636 /nfs/dbraw/zinc/25/06/36/951250636.db2.gz JQMYVKOVDSRJAR-SJLPKXTDSA-N 0 2 376.497 3.212 20 0 GGADLN CCOc1ccccc1[C@H](CC)NC(=O)C[NH2+][C@H](C(=O)[O-])c1cccc(C)c1 ZINC001593042317 951386882 /nfs/dbraw/zinc/38/68/82/951386882.db2.gz BAUYPKKXWMAXRZ-RXVVDRJESA-N 0 2 384.476 3.377 20 0 GGADLN CCOc1ccccc1C[N@@H+]1CCN(C(=O)[C@H](C(=O)[O-])C2CCCC2)[C@H](C)C1 ZINC001593042437 951388320 /nfs/dbraw/zinc/38/83/20/951388320.db2.gz GWKRJCSBUXNOPF-OXQOHEQNSA-N 0 2 388.508 3.009 20 0 GGADLN CCOc1ccccc1C[N@H+]1CCN(C(=O)[C@H](C(=O)[O-])C2CCCC2)[C@H](C)C1 ZINC001593042437 951388327 /nfs/dbraw/zinc/38/83/27/951388327.db2.gz GWKRJCSBUXNOPF-OXQOHEQNSA-N 0 2 388.508 3.009 20 0 GGADLN O=C([O-])CCc1cccc(NC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)c1 ZINC001595066586 951554540 /nfs/dbraw/zinc/55/45/40/951554540.db2.gz NSONEWGNPKGOJJ-UHFFFAOYSA-N 0 2 378.432 3.270 20 0 GGADLN Cc1cc(C)c(CNC(=O)Nc2cc(C(=O)[O-])ccc2Br)c[nH+]1 ZINC000397542771 951569902 /nfs/dbraw/zinc/56/99/02/951569902.db2.gz BYJZJZAPSHCCFC-UHFFFAOYSA-N 0 2 378.226 3.481 20 0 GGADLN O=C([O-])Cc1ccccc1NC(=O)N1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC001595136468 952056709 /nfs/dbraw/zinc/05/67/09/952056709.db2.gz UHLCUQSLVGVUMU-UHFFFAOYSA-N 0 2 382.464 3.258 20 0 GGADLN CC(C)C[C@H](CNC(=O)N[C@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1)C(=O)[O-] ZINC000424429209 953484370 /nfs/dbraw/zinc/48/43/70/953484370.db2.gz ZEVJWLUGTTTYFW-QRQLOZEOSA-N 0 2 384.480 3.158 20 0 GGADLN CC(C)C[C@H](CNC(=O)N[C@@H]1c2ccccc2CC[C@@H]1n1cc[nH+]c1)C(=O)[O-] ZINC000424429208 953484521 /nfs/dbraw/zinc/48/45/21/953484521.db2.gz ZEVJWLUGTTTYFW-NZSAHSFTSA-N 0 2 384.480 3.158 20 0 GGADLN CC(C)C[C@H](CNC(=O)N[C@@H]1c2ccccc2CC[C@H]1n1cc[nH+]c1)C(=O)[O-] ZINC000424429206 953485326 /nfs/dbraw/zinc/48/53/26/953485326.db2.gz ZEVJWLUGTTTYFW-BHIYHBOVSA-N 0 2 384.480 3.158 20 0 GGADLN O=C([O-])c1ccnc(NC(=O)NCCN(Cc2ccccc2)c2cccc[nH+]2)c1 ZINC001594758630 953490786 /nfs/dbraw/zinc/49/07/86/953490786.db2.gz SXURGJVAXJJWFD-UHFFFAOYSA-N 0 2 391.431 3.003 20 0 GGADLN O=C([O-])[C@H]1C[C@H](NC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)c2ccccc21 ZINC001594767523 953536569 /nfs/dbraw/zinc/53/65/69/953536569.db2.gz DMKYMOIQJNCJKW-WMZOPIPTSA-N 0 2 394.406 3.124 20 0 GGADLN CCc1ccc([C@H](COC)[NH2+]Cc2ccc(N3CCC[C@H](C(=O)[O-])C3)o2)o1 ZINC001593636579 953611057 /nfs/dbraw/zinc/61/10/57/953611057.db2.gz DXQNBMVDEIOMTL-YOEHRIQHSA-N 0 2 376.453 3.213 20 0 GGADLN CCc1ccc([C@@H](COC)[NH2+]Cc2ccc(N3CCC[C@H](C(=O)[O-])C3)o2)o1 ZINC001593636578 953611467 /nfs/dbraw/zinc/61/14/67/953611467.db2.gz DXQNBMVDEIOMTL-WMLDXEAASA-N 0 2 376.453 3.213 20 0 GGADLN CCc1ccc([C@H](NC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C(=O)[O-])c2cccs2)cc1 ZINC001593636667 953612468 /nfs/dbraw/zinc/61/24/68/953612468.db2.gz HRQUPVQVQGLMCA-ZTQAJYAQSA-N 0 2 386.517 3.454 20 0 GGADLN CCc1ccc([C@H](NC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C(=O)[O-])c2cccs2)cc1 ZINC001593636667 953612478 /nfs/dbraw/zinc/61/24/78/953612478.db2.gz HRQUPVQVQGLMCA-ZTQAJYAQSA-N 0 2 386.517 3.454 20 0 GGADLN CCc1ccc([C@@H](NC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C(=O)[O-])c2cccs2)cc1 ZINC001593636666 953612853 /nfs/dbraw/zinc/61/28/53/953612853.db2.gz HRQUPVQVQGLMCA-WIBUTAKZSA-N 0 2 386.517 3.454 20 0 GGADLN CCc1ccc([C@@H](NC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C(=O)[O-])c2cccs2)cc1 ZINC001593636666 953612856 /nfs/dbraw/zinc/61/28/56/953612856.db2.gz HRQUPVQVQGLMCA-WIBUTAKZSA-N 0 2 386.517 3.454 20 0 GGADLN CC[C@@H](C)[C@H]1C[N@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccc(C(=O)[O-])cc1 ZINC000566300868 953625843 /nfs/dbraw/zinc/62/58/43/953625843.db2.gz RBDGVADNOYNCMX-IIBYNOLFSA-N 0 2 395.503 3.461 20 0 GGADLN CC[C@@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1C(=O)c1ccc(C(=O)[O-])cc1 ZINC000566300868 953625856 /nfs/dbraw/zinc/62/58/56/953625856.db2.gz RBDGVADNOYNCMX-IIBYNOLFSA-N 0 2 395.503 3.461 20 0 GGADLN O=C([O-])c1ccnc(NC(=O)N[C@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)c1 ZINC001594802375 953752198 /nfs/dbraw/zinc/75/21/98/953752198.db2.gz VOIARZLTPOMVJP-AEFFLSMTSA-N 0 2 377.404 3.027 20 0 GGADLN O=C([O-])c1ccnc(NC(=O)N[C@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)c1 ZINC001594802378 953752349 /nfs/dbraw/zinc/75/23/49/953752349.db2.gz VOIARZLTPOMVJP-WMZOPIPTSA-N 0 2 377.404 3.027 20 0 GGADLN Cc1ccc2[nH+]c(CSCC(=O)NC[C@@](C)(C(=O)[O-])c3ccccc3)cn2c1 ZINC000593921521 953756961 /nfs/dbraw/zinc/75/69/61/953756961.db2.gz IGHDSDMFBXTRTF-OAQYLSRUSA-N 0 2 397.500 3.035 20 0 GGADLN O=C([O-])c1ccc(C(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)nc1 ZINC000642274881 953897856 /nfs/dbraw/zinc/89/78/56/953897856.db2.gz BHFNKYQXMULJBI-MRXNPFEDSA-N 0 2 391.830 3.139 20 0 GGADLN Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)N2CCC(C)(C(=O)[O-])CC2)c(C)c1 ZINC000646153563 953933372 /nfs/dbraw/zinc/93/33/72/953933372.db2.gz MASACEBIQLRIIN-GOSISDBHSA-N 0 2 384.480 3.138 20 0 GGADLN C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)N3C[C@H](C(=O)[O-])CC[C@@H]3C)n2)C1 ZINC001589332986 953960434 /nfs/dbraw/zinc/96/04/34/953960434.db2.gz IMWIGQUZYDTQCM-HZSPNIEDSA-N 0 2 380.514 3.092 20 0 GGADLN C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)N3C[C@H](C(=O)[O-])CC[C@@H]3C)n2)C1 ZINC001589332986 953960440 /nfs/dbraw/zinc/96/04/40/953960440.db2.gz IMWIGQUZYDTQCM-HZSPNIEDSA-N 0 2 380.514 3.092 20 0 GGADLN Cc1nc(NC(=O)C[N@@H+](CC(=O)[O-])CC2CC2)sc1Cc1ccc(C)cc1 ZINC000650509621 954025064 /nfs/dbraw/zinc/02/50/64/954025064.db2.gz JPCXSTXXYODDAN-UHFFFAOYSA-N 0 2 387.505 3.086 20 0 GGADLN Cc1nc(NC(=O)C[N@H+](CC(=O)[O-])CC2CC2)sc1Cc1ccc(C)cc1 ZINC000650509621 954025071 /nfs/dbraw/zinc/02/50/71/954025071.db2.gz JPCXSTXXYODDAN-UHFFFAOYSA-N 0 2 387.505 3.086 20 0 GGADLN C[NH+](C)[C@@H](C(=O)Nc1sc2c(c1C(=O)[O-])COCC2)c1ccc(Cl)cc1 ZINC001593691362 954034488 /nfs/dbraw/zinc/03/44/88/954034488.db2.gz OCPQOLHHUGKKQM-OAHLLOKOSA-N 0 2 394.880 3.414 20 0 GGADLN C[C@H]1CCc2c(sc3nc(C[N@H+](CC(=O)[O-])CC(C)(C)C)nc(N)c32)C1 ZINC001589364346 954177490 /nfs/dbraw/zinc/17/74/90/954177490.db2.gz RFQBQCOCAWTTLU-NSHDSACASA-N 0 2 376.526 3.331 20 0 GGADLN C[C@H]1CCc2c(sc3nc(C[N@@H+](CC(=O)[O-])CC(C)(C)C)nc(N)c32)C1 ZINC001589364346 954177501 /nfs/dbraw/zinc/17/75/01/954177501.db2.gz RFQBQCOCAWTTLU-NSHDSACASA-N 0 2 376.526 3.331 20 0 GGADLN C[C@@H](NC(=O)N1CCC(CCCn2cc[nH+]c2)CC1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655903152 954285312 /nfs/dbraw/zinc/28/53/12/954285312.db2.gz YWHGMWFWTGSBCD-BPQIPLTHSA-N 0 2 390.528 3.220 20 0 GGADLN C[C@H]1CCC[N@H+](Cc2csc(NC(=O)c3cccc(OCC(=O)[O-])c3)n2)C1 ZINC000659752257 954351869 /nfs/dbraw/zinc/35/18/69/954351869.db2.gz PEHOZIKETXXFGA-ZDUSSCGKSA-N 0 2 389.477 3.091 20 0 GGADLN C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)c3cccc(OCC(=O)[O-])c3)n2)C1 ZINC000659752257 954351882 /nfs/dbraw/zinc/35/18/82/954351882.db2.gz PEHOZIKETXXFGA-ZDUSSCGKSA-N 0 2 389.477 3.091 20 0 GGADLN CC[N@H+](Cc1nc(=O)c2sc(-c3ccc(F)cc3)cc2[nH]1)[C@H](C)C(=O)[O-] ZINC000662216292 954386206 /nfs/dbraw/zinc/38/62/06/954386206.db2.gz OGDVOSRZNJYZKA-SNVBAGLBSA-N 0 2 375.425 3.086 20 0 GGADLN CC[N@@H+](Cc1nc(=O)c2sc(-c3ccc(F)cc3)cc2[nH]1)[C@H](C)C(=O)[O-] ZINC000662216292 954386225 /nfs/dbraw/zinc/38/62/25/954386225.db2.gz OGDVOSRZNJYZKA-SNVBAGLBSA-N 0 2 375.425 3.086 20 0 GGADLN Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)C[N@H+](CC(=O)[O-])CC(C)(C)C ZINC000662228370 954397726 /nfs/dbraw/zinc/39/77/26/954397726.db2.gz ZCQKVZZAHVMNFF-UHFFFAOYSA-N 0 2 386.496 3.169 20 0 GGADLN Cc1nn(-c2ccc(C)cc2)c(C)c1NC(=O)C[N@@H+](CC(=O)[O-])CC(C)(C)C ZINC000662228370 954397745 /nfs/dbraw/zinc/39/77/45/954397745.db2.gz ZCQKVZZAHVMNFF-UHFFFAOYSA-N 0 2 386.496 3.169 20 0 GGADLN C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N[C@H](C(=O)[O-])c2ccccc2)C[C@@H](C)O1 ZINC001589402134 954441577 /nfs/dbraw/zinc/44/15/77/954441577.db2.gz YUNOIZOIJBQTJF-QINHECLXSA-N 0 2 397.475 3.243 20 0 GGADLN CC1(C)C[C@@]1(C(=O)[O-])C(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000663112758 954503987 /nfs/dbraw/zinc/50/39/87/954503987.db2.gz ADNOSNKJMNVSNL-KUHUBIRLSA-N 0 2 382.863 3.233 20 0 GGADLN CC1(C)C[C@]1(C(=O)[O-])C(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000663112755 954504314 /nfs/dbraw/zinc/50/43/14/954504314.db2.gz ADNOSNKJMNVSNL-AUUYWEPGSA-N 0 2 382.863 3.233 20 0 GGADLN C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)c2ccc(OCC(=O)[O-])cc2)C[C@H](C)O1 ZINC000663112344 954504336 /nfs/dbraw/zinc/50/43/36/954504336.db2.gz HGVYRAQPPYLNSO-IYBDPMFKSA-N 0 2 398.459 3.012 20 0 GGADLN C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)c2ccc(OCC(=O)[O-])cc2)C[C@H](C)O1 ZINC000663112344 954504348 /nfs/dbraw/zinc/50/43/48/954504348.db2.gz HGVYRAQPPYLNSO-IYBDPMFKSA-N 0 2 398.459 3.012 20 0 GGADLN CC(C)(C)[C@H](C(=O)[O-])C(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000663116076 954509722 /nfs/dbraw/zinc/50/97/22/954509722.db2.gz YWAQZOVFPAWXDV-HOCLYGCPSA-N 0 2 384.879 3.479 20 0 GGADLN CC[N@H+](CC(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1)Cc1ccccc1Cl ZINC000663134320 954521844 /nfs/dbraw/zinc/52/18/44/954521844.db2.gz IGLNCGSUUXZJDC-GOSISDBHSA-N 0 2 386.879 3.373 20 0 GGADLN CC[N@@H+](CC(=O)N1Cc2ccccc2[C@H](C(=O)[O-])C1)Cc1ccccc1Cl ZINC000663134320 954521854 /nfs/dbraw/zinc/52/18/54/954521854.db2.gz IGLNCGSUUXZJDC-GOSISDBHSA-N 0 2 386.879 3.373 20 0 GGADLN CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)NCc1cccc(C(=O)[O-])c1 ZINC000666562270 954560521 /nfs/dbraw/zinc/56/05/21/954560521.db2.gz JPTIQDSBOMCGJX-UHFFFAOYSA-N 0 2 396.491 3.228 20 0 GGADLN Cc1cccn2cc(CC(=O)N3CCC(c4ccccc4C(=O)[O-])CC3)[nH+]c12 ZINC000682185800 954600157 /nfs/dbraw/zinc/60/01/57/954600157.db2.gz NEODQYWSFOHNLH-UHFFFAOYSA-N 0 2 377.444 3.290 20 0 GGADLN O=C([O-])[C@H]1CCCN(c2ccc(C[NH2+]Cc3nc(-c4ccncc4)cs3)o2)C1 ZINC001594917051 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ZINC001573463990 958933618 /nfs/dbraw/zinc/93/36/18/958933618.db2.gz RRYWYXQWZSGUNM-AWEZNQCLSA-N 0 2 375.513 3.481 20 0 GGADLN Cc1ccccc1Cn1c2ccccc2[nH+]c1NCc1c(C(=O)[O-])cnn1C ZINC001594418274 959034404 /nfs/dbraw/zinc/03/44/04/959034404.db2.gz QJIWYJJYZMLILY-UHFFFAOYSA-N 0 2 375.432 3.437 20 0 GGADLN C[C@@H](C(=O)[O-])C(=O)N1CC[NH+]([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC001588566503 959152710 /nfs/dbraw/zinc/15/27/10/959152710.db2.gz YPSWWZONHYUDFO-BEFAXECRSA-N 0 2 386.879 3.294 20 0 GGADLN C[C@H](C(=O)[O-])C(=O)N1CC[NH+]([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC001588566506 959152937 /nfs/dbraw/zinc/15/29/37/959152937.db2.gz YPSWWZONHYUDFO-KXBFYZLASA-N 0 2 386.879 3.294 20 0 GGADLN C[C@@H]1CCC[C@H](C(=O)[O-])[N@@H+]1CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1 ZINC001594214034 959315576 /nfs/dbraw/zinc/31/55/76/959315576.db2.gz SNOABHSNAIPGLV-NVXWUHKLSA-N 0 2 398.507 3.436 20 0 GGADLN C[C@@H]1CCC[C@H](C(=O)[O-])[N@H+]1CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1 ZINC001594214034 959315585 /nfs/dbraw/zinc/31/55/85/959315585.db2.gz SNOABHSNAIPGLV-NVXWUHKLSA-N 0 2 398.507 3.436 20 0 GGADLN CC[N@@H+]1CCc2nc3ccccc3c(C(=O)NCc3ccc(C(=O)[O-])cc3)c2C1 ZINC000170564855 959413726 /nfs/dbraw/zinc/41/37/26/959413726.db2.gz FQPNOUWXSGYEKS-UHFFFAOYSA-N 0 2 389.455 3.241 20 0 GGADLN CC[N@H+]1CCc2nc3ccccc3c(C(=O)NCc3ccc(C(=O)[O-])cc3)c2C1 ZINC000170564855 959413752 /nfs/dbraw/zinc/41/37/52/959413752.db2.gz FQPNOUWXSGYEKS-UHFFFAOYSA-N 0 2 389.455 3.241 20 0 GGADLN O=C([O-])c1ccccc1OCC[NH+]1CCN(C(=O)CCC2CCCCC2)CC1 ZINC000183917170 959455610 /nfs/dbraw/zinc/45/56/10/959455610.db2.gz NTEHBRIYFRXDIO-UHFFFAOYSA-N 0 2 388.508 3.268 20 0 GGADLN Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N1CCCc2cc(C(=O)[O-])ccc21 ZINC001594463188 959476280 /nfs/dbraw/zinc/47/62/80/959476280.db2.gz QXWHGANINCOAME-UHFFFAOYSA-N 0 2 385.370 3.301 20 0 GGADLN C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)C[NH2+][C@@](C)(C(=O)[O-])c1ccccc1 ZINC001573642898 959623087 /nfs/dbraw/zinc/62/30/87/959623087.db2.gz LCIWUWMWYFCTSL-RNODOKPDSA-N 0 2 376.403 3.074 20 0 GGADLN CN(C)c1cc(CN2CC[C@@H](C(=O)[O-])c3cc(Br)ccc32)cc[nH+]1 ZINC001604083691 972484985 /nfs/dbraw/zinc/48/49/85/972484985.db2.gz UYFWQVUFPSPTQI-CQSZACIVSA-N 0 2 390.281 3.489 20 0 GGADLN CC(C)(C)CC[C@@H]([NH2+]Cc1ncc(I)s1)C(=O)[O-] ZINC001588653087 960398775 /nfs/dbraw/zinc/39/87/75/960398775.db2.gz MPTMPXLFDZGRTM-MRVPVSSYSA-N 0 2 382.267 3.117 20 0 GGADLN CC(C)(C)C[N@H+](CC(=O)[O-])CC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC001588655596 960409604 /nfs/dbraw/zinc/40/96/04/960409604.db2.gz FLVGWYHWSFLMIY-UHFFFAOYSA-N 0 2 390.480 3.489 20 0 GGADLN CC(C)(C)C[N@@H+](CC(=O)[O-])CC(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC001588655596 960409609 /nfs/dbraw/zinc/40/96/09/960409609.db2.gz FLVGWYHWSFLMIY-UHFFFAOYSA-N 0 2 390.480 3.489 20 0 GGADLN C[C@H]1CCN(C(=O)Nc2ccc(F)c(C(=O)[O-])c2Cl)C[C@@H]1n1cc[nH+]c1 ZINC001573735754 960433164 /nfs/dbraw/zinc/43/31/64/960433164.db2.gz ILSQCVRWEJRWGK-GWCFXTLKSA-N 0 2 380.807 3.489 20 0 GGADLN Cn1c(C(=O)[O-])ccc1[C@@H]1CCCCN1C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC001123298001 960454185 /nfs/dbraw/zinc/45/41/85/960454185.db2.gz PZTAJYLCWFJBMF-IBGZPJMESA-N 0 2 392.459 3.336 20 0 GGADLN O=C([O-])COc1ccc(C[N@@H+]2CCc3cc(Br)ccc3C2)cc1 ZINC001138924724 960491757 /nfs/dbraw/zinc/49/17/57/960491757.db2.gz WHLBCCZBNJFCAR-UHFFFAOYSA-N 0 2 376.250 3.471 20 0 GGADLN O=C([O-])COc1ccc(C[N@H+]2CCc3cc(Br)ccc3C2)cc1 ZINC001138924724 960491763 /nfs/dbraw/zinc/49/17/63/960491763.db2.gz WHLBCCZBNJFCAR-UHFFFAOYSA-N 0 2 376.250 3.471 20 0 GGADLN O=C([O-])COc1ccc(C[N@@H+]2CCc3c(Br)cccc3C2)cc1 ZINC001138927339 960494757 /nfs/dbraw/zinc/49/47/57/960494757.db2.gz FLPATRYDIVSFRK-UHFFFAOYSA-N 0 2 376.250 3.471 20 0 GGADLN O=C([O-])COc1ccc(C[N@H+]2CCc3c(Br)cccc3C2)cc1 ZINC001138927339 960494773 /nfs/dbraw/zinc/49/47/73/960494773.db2.gz FLPATRYDIVSFRK-UHFFFAOYSA-N 0 2 376.250 3.471 20 0 GGADLN Cc1cccc([C@@H]([NH2+]CC(=O)Nc2ccccc2Br)C(=O)[O-])c1 ZINC001574392153 961188123 /nfs/dbraw/zinc/18/81/23/961188123.db2.gz QASSBWQGPQOLGC-MRXNPFEDSA-N 0 2 377.238 3.112 20 0 GGADLN O=C([O-])C1CC[NH+](CC(=O)N(CC(F)(F)F)c2ccc(Cl)cc2)CC1 ZINC001329420660 961269978 /nfs/dbraw/zinc/26/99/78/961269978.db2.gz UQFCULYZIHTNDO-UHFFFAOYSA-N 0 2 378.778 3.032 20 0 GGADLN Cn1cc(Br)c(C[NH+]2CCC(c3ccccc3C(=O)[O-])CC2)n1 ZINC001574450411 961478449 /nfs/dbraw/zinc/47/84/49/961478449.db2.gz ZISLNEMRFBIJFE-UHFFFAOYSA-N 0 2 378.270 3.260 20 0 GGADLN O=C([O-])[C@@H]1C[C@H]1c1ccc(NC(=O)[C@H]2CCCC[N@@H+]2Cc2cccnc2)cc1 ZINC001332160594 961490160 /nfs/dbraw/zinc/49/01/60/961490160.db2.gz AHOVUKXENIUFLW-XUVXKRRUSA-N 0 2 379.460 3.263 20 0 GGADLN O=C([O-])[C@@H]1C[C@H]1c1ccc(NC(=O)[C@H]2CCCC[N@H+]2Cc2cccnc2)cc1 ZINC001332160594 961490172 /nfs/dbraw/zinc/49/01/72/961490172.db2.gz AHOVUKXENIUFLW-XUVXKRRUSA-N 0 2 379.460 3.263 20 0 GGADLN O=C([O-])CCCOc1ccc(NC(=O)[C@H]2CCCC[N@@H+]2Cc2cccnc2)cc1 ZINC001339509727 962034293 /nfs/dbraw/zinc/03/42/93/962034293.db2.gz NXLCEJLRWGFKAK-HXUWFJFHSA-N 0 2 397.475 3.318 20 0 GGADLN O=C([O-])CCCOc1ccc(NC(=O)[C@H]2CCCC[N@H+]2Cc2cccnc2)cc1 ZINC001339509727 962034312 /nfs/dbraw/zinc/03/43/12/962034312.db2.gz NXLCEJLRWGFKAK-HXUWFJFHSA-N 0 2 397.475 3.318 20 0 GGADLN CC(C)C[C@@H](NC(=O)[C@H](c1cccc(Br)c1)[NH+]1CCCC1)C(=O)[O-] ZINC001588881070 962147285 /nfs/dbraw/zinc/14/72/85/962147285.db2.gz OHUHMEXBRALYPB-CVEARBPZSA-N 0 2 397.313 3.202 20 0 GGADLN O=C([O-])[C@H](C(=O)NCCc1cn(Cc2ccc(Cl)cc2)c[nH+]1)C1CCCC1 ZINC001574617202 962233125 /nfs/dbraw/zinc/23/31/25/962233125.db2.gz NGWLMZNGKBCFLV-SFHVURJKSA-N 0 2 389.883 3.135 20 0 GGADLN COC(=O)c1c(C[NH+]2CCC(c3ccccc3C(=O)[O-])CC2)snc1OC ZINC001574081949 962295470 /nfs/dbraw/zinc/29/54/70/962295470.db2.gz RNVWAAUSCYZLFH-UHFFFAOYSA-N 0 2 390.461 3.016 20 0 GGADLN COc1ccc(OC)c2c1C[N@@H+]([C@@H](C(=O)[O-])c1ccccc1Cl)C[C@@H]2O ZINC001346219976 962326304 /nfs/dbraw/zinc/32/63/04/962326304.db2.gz TZONRFKMYXUEKD-KBXCAEBGSA-N 0 2 377.824 3.032 20 0 GGADLN COc1ccc(OC)c2c1C[N@H+]([C@@H](C(=O)[O-])c1ccccc1Cl)C[C@@H]2O ZINC001346219976 962326323 /nfs/dbraw/zinc/32/63/23/962326323.db2.gz TZONRFKMYXUEKD-KBXCAEBGSA-N 0 2 377.824 3.032 20 0 GGADLN O=C([O-])[C@H]1CCCN(c2ccc(C[NH2+][C@H]3COc4ccc(Cl)cc43)o2)C1 ZINC001574652294 962448591 /nfs/dbraw/zinc/44/85/91/962448591.db2.gz WJNSWEZIZOAPPP-LRDDRELGSA-N 0 2 376.840 3.457 20 0 GGADLN O=C([O-])[C@@H]1CCCN(c2ccc(C[NH2+][C@@H]3COc4ccc(Cl)cc43)o2)C1 ZINC001574652383 962449532 /nfs/dbraw/zinc/44/95/32/962449532.db2.gz WJNSWEZIZOAPPP-MLGOLLRUSA-N 0 2 376.840 3.457 20 0 GGADLN Cn1c(C[N@@H+]2C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C2)nc2ccc(Cl)cc21 ZINC001350612991 962558171 /nfs/dbraw/zinc/55/81/71/962558171.db2.gz WJYJZIWCOUKECT-ZJUUUORDSA-N 0 2 375.778 3.312 20 0 GGADLN Cn1c(C[N@H+]2C[C@H](C(=O)[O-])C[C@H](C(F)(F)F)C2)nc2ccc(Cl)cc21 ZINC001350612991 962558190 /nfs/dbraw/zinc/55/81/90/962558190.db2.gz WJYJZIWCOUKECT-ZJUUUORDSA-N 0 2 375.778 3.312 20 0 GGADLN O=C([O-])c1cc2cccnc2c(NC(=O)[C@@H]2CCCC[N@@H+]2Cc2cccnc2)c1 ZINC001350902224 962605303 /nfs/dbraw/zinc/60/53/03/962605303.db2.gz GZCGFWIDFAJVGQ-IBGZPJMESA-N 0 2 390.443 3.321 20 0 GGADLN O=C([O-])c1cc2cccnc2c(NC(=O)[C@@H]2CCCC[N@H+]2Cc2cccnc2)c1 ZINC001350902224 962605311 /nfs/dbraw/zinc/60/53/11/962605311.db2.gz GZCGFWIDFAJVGQ-IBGZPJMESA-N 0 2 390.443 3.321 20 0 GGADLN O=C([O-])c1cccc(C[NH+]2CCN(C(=O)c3ccc(C(F)(F)F)cc3)CC2)c1 ZINC000263471263 962657569 /nfs/dbraw/zinc/65/75/69/962657569.db2.gz LLIOZBJOVPZYDM-UHFFFAOYSA-N 0 2 392.377 3.362 20 0 GGADLN O=C([O-])CCCC(=O)N(CCCn1cc[nH+]c1)Cc1c(F)cccc1Cl ZINC001574693543 962658743 /nfs/dbraw/zinc/65/87/43/962658743.db2.gz JYISXEWNNDXYRR-UHFFFAOYSA-N 0 2 381.835 3.349 20 0 GGADLN O=C([O-])CSCc1cccc(NC(=O)[C@H]2CCCC[N@@H+]2Cc2ccncc2)c1 ZINC001354041547 962696148 /nfs/dbraw/zinc/69/61/48/962696148.db2.gz PYQULIRZSKAGFC-LJQANCHMSA-N 0 2 399.516 3.393 20 0 GGADLN O=C([O-])CSCc1cccc(NC(=O)[C@H]2CCCC[N@H+]2Cc2ccncc2)c1 ZINC001354041547 962696151 /nfs/dbraw/zinc/69/61/51/962696151.db2.gz PYQULIRZSKAGFC-LJQANCHMSA-N 0 2 399.516 3.393 20 0 GGADLN O=C([O-])C[N@H+](Cc1ccco1)C[C@H](O)Cn1c2ccccc2c2ccccc21 ZINC001574716626 962727731 /nfs/dbraw/zinc/72/77/31/962727731.db2.gz WZJXCAPPFZDVON-INIZCTEOSA-N 0 2 378.428 3.335 20 0 GGADLN O=C([O-])C[N@@H+](Cc1ccco1)C[C@H](O)Cn1c2ccccc2c2ccccc21 ZINC001574716626 962727741 /nfs/dbraw/zinc/72/77/41/962727741.db2.gz WZJXCAPPFZDVON-INIZCTEOSA-N 0 2 378.428 3.335 20 0 GGADLN Cc1cc(C)c(-c2csc(NC(=O)C[N@@H+](CC(=O)[O-])C(C)C)n2)cc1C ZINC000263567045 962732286 /nfs/dbraw/zinc/73/22/86/962732286.db2.gz GJDRJRVHWRWFRK-UHFFFAOYSA-N 0 2 375.494 3.469 20 0 GGADLN Cc1cc(C)c(-c2csc(NC(=O)C[N@H+](CC(=O)[O-])C(C)C)n2)cc1C ZINC000263567045 962732304 /nfs/dbraw/zinc/73/23/04/962732304.db2.gz GJDRJRVHWRWFRK-UHFFFAOYSA-N 0 2 375.494 3.469 20 0 GGADLN C[C@@H]1CCC[N@H+](CC(=O)Nc2cc(C(C)(C)C)nn2-c2ccccc2)[C@H]1C(=O)[O-] ZINC000424269786 968356225 /nfs/dbraw/zinc/35/62/25/968356225.db2.gz PTHGCGPVLPNUSG-FOIQADDNSA-N 0 2 398.507 3.293 20 0 GGADLN C[C@@H]1CCC[N@@H+](CC(=O)Nc2cc(C(C)(C)C)nn2-c2ccccc2)[C@H]1C(=O)[O-] ZINC000424269786 968356235 /nfs/dbraw/zinc/35/62/35/968356235.db2.gz PTHGCGPVLPNUSG-FOIQADDNSA-N 0 2 398.507 3.293 20 0 GGADLN CCC(CC)(C(=O)[O-])C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000653298839 968643601 /nfs/dbraw/zinc/64/36/01/968643601.db2.gz MPDHUDURAQSBQY-OAHLLOKOSA-N 0 2 384.879 3.451 20 0 GGADLN CCC(CC)(C(=O)[O-])C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000653298839 968643609 /nfs/dbraw/zinc/64/36/09/968643609.db2.gz MPDHUDURAQSBQY-OAHLLOKOSA-N 0 2 384.879 3.451 20 0 GGADLN C[C@H](NC(=O)NCc1cc[nH+]c(N2CCCCC2)c1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655860731 968695861 /nfs/dbraw/zinc/69/58/61/968695861.db2.gz LAZQUFRETGCWGI-BHYGNILZSA-N 0 2 388.512 3.007 20 0 GGADLN CC[N@H+](CC(=O)Nc1nc(C)c(Cc2ccc(C)cc2)s1)[C@@H](C)C(=O)[O-] ZINC000662214786 968754972 /nfs/dbraw/zinc/75/49/72/968754972.db2.gz HPRPHIUXPUAWFD-AWEZNQCLSA-N 0 2 375.494 3.084 20 0 GGADLN CC[N@@H+](CC(=O)Nc1nc(C)c(Cc2ccc(C)cc2)s1)[C@@H](C)C(=O)[O-] ZINC000662214786 968754979 /nfs/dbraw/zinc/75/49/79/968754979.db2.gz HPRPHIUXPUAWFD-AWEZNQCLSA-N 0 2 375.494 3.084 20 0 GGADLN CC[N@H+](CC(=O)Nc1nc(C)c(Cc2ccc(C)cc2)s1)[C@H](C)C(=O)[O-] ZINC000662214788 968755589 /nfs/dbraw/zinc/75/55/89/968755589.db2.gz HPRPHIUXPUAWFD-CQSZACIVSA-N 0 2 375.494 3.084 20 0 GGADLN CC[N@@H+](CC(=O)Nc1nc(C)c(Cc2ccc(C)cc2)s1)[C@H](C)C(=O)[O-] ZINC000662214788 968755600 /nfs/dbraw/zinc/75/56/00/968755600.db2.gz HPRPHIUXPUAWFD-CQSZACIVSA-N 0 2 375.494 3.084 20 0 GGADLN O=C([O-])c1ccccc1C1CCN(C(=O)NCc2ccn3cc[nH+]c3c2)CC1 ZINC000666536119 968840078 /nfs/dbraw/zinc/84/00/78/968840078.db2.gz IFGVEFPGSDUXTE-UHFFFAOYSA-N 0 2 378.432 3.122 20 0 GGADLN CCc1ccc(C[NH+]2CCN(C(=O)NCc3cccc(C(=O)[O-])c3)CC2)s1 ZINC000666562839 968844978 /nfs/dbraw/zinc/84/49/78/968844978.db2.gz QXEDZUASXJLYFK-UHFFFAOYSA-N 0 2 387.505 3.036 20 0 GGADLN COc1c(C)c[nH+]c(CNC(=O)N2CCC(c3ccccc3C(=O)[O-])CC2)c1C ZINC000840985267 969214921 /nfs/dbraw/zinc/21/49/21/969214921.db2.gz IINLBQAZGXOGFC-UHFFFAOYSA-N 0 2 397.475 3.494 20 0 GGADLN CC[C@@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)NCC(CC)(CC)C(=O)[O-])CC1 ZINC000874404664 969383819 /nfs/dbraw/zinc/38/38/19/969383819.db2.gz HWMYEQDPHPPROI-SFHVURJKSA-N 0 2 393.503 3.495 20 0 GGADLN Cc1cccn2cc(CC(=O)N3C[C@@H](CCC(=O)[O-])Cc4ccccc43)[nH+]c12 ZINC000902825015 969570116 /nfs/dbraw/zinc/57/01/16/969570116.db2.gz IQHOFOCKYIKRRE-INIZCTEOSA-N 0 2 377.444 3.256 20 0 GGADLN O=C([O-])C1CCN(c2ccc(C[N@@H+]3CCCN(Cc4ccccc4)CC3)o2)CC1 ZINC000904189298 969597868 /nfs/dbraw/zinc/59/78/68/969597868.db2.gz IAMGGANDAMJWIV-UHFFFAOYSA-N 0 2 397.519 3.289 20 0 GGADLN O=C([O-])C1CCN(c2ccc(C[N@H+]3CCCN(Cc4ccccc4)CC3)o2)CC1 ZINC000904189298 969597878 /nfs/dbraw/zinc/59/78/78/969597878.db2.gz IAMGGANDAMJWIV-UHFFFAOYSA-N 0 2 397.519 3.289 20 0 GGADLN O=C([O-])CCCC(=O)N1CC[NH+](Cc2ccc(-c3ccccc3F)s2)CC1 ZINC001326390221 969703140 /nfs/dbraw/zinc/70/31/40/969703140.db2.gz FRPGZMLSVXXBQL-UHFFFAOYSA-N 0 2 390.480 3.453 20 0 GGADLN O=C([O-])CCCSc1nnc(C[NH+]2CCCCC2)n1-c1ccc(F)cc1 ZINC001595052970 970289076 /nfs/dbraw/zinc/28/90/76/970289076.db2.gz OLLJSLWNKTYIGR-UHFFFAOYSA-N 0 2 378.473 3.349 20 0 GGADLN C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)Nc2cccc(CCC(=O)[O-])c2)CC1 ZINC001610019043 970641736 /nfs/dbraw/zinc/64/17/36/970641736.db2.gz VXAZTAWJMJVADU-INIZCTEOSA-N 0 2 382.464 3.010 20 0 GGADLN C[N@@H+]1CC[C@H](NC(=O)Nc2ccccc2CC(=O)[O-])[C@H]1c1ccc(F)c(F)c1 ZINC001604209309 972680640 /nfs/dbraw/zinc/68/06/40/972680640.db2.gz UZRYJNGIDRFGLW-PKOBYXMFSA-N 0 2 389.402 3.159 20 0 GGADLN C[N@H+]1CC[C@H](NC(=O)Nc2ccccc2CC(=O)[O-])[C@H]1c1ccc(F)c(F)c1 ZINC001604209309 972680643 /nfs/dbraw/zinc/68/06/43/972680643.db2.gz UZRYJNGIDRFGLW-PKOBYXMFSA-N 0 2 389.402 3.159 20 0 GGADLN O=C([O-])[C@]1(C(=O)NCCN(Cc2ccccc2)c2cccc[nH+]2)CC=CCC1 ZINC001605925862 972841941 /nfs/dbraw/zinc/84/19/41/972841941.db2.gz YDSOMIHUTBJUKW-JOCHJYFZSA-N 0 2 379.460 3.016 20 0 GGADLN 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974760943 /nfs/dbraw/zinc/76/09/43/974760943.db2.gz BGHNDUVZOICQQO-UHFFFAOYSA-N 0 2 379.416 3.310 20 0 GGADLN COc1cc(-c2noc(C[N@@H+]3CC[C@@H](C)C[C@H]3C(=O)[O-])n2)ccc1OC(F)F ZINC000583029967 974935391 /nfs/dbraw/zinc/93/53/91/974935391.db2.gz JRTWYPLPCLXPLB-PWSUYJOCSA-N 0 2 397.378 3.032 20 0 GGADLN COc1cc(-c2noc(C[N@H+]3CC[C@@H](C)C[C@H]3C(=O)[O-])n2)ccc1OC(F)F ZINC000583029967 974935396 /nfs/dbraw/zinc/93/53/96/974935396.db2.gz JRTWYPLPCLXPLB-PWSUYJOCSA-N 0 2 397.378 3.032 20 0 GGADLN O=C([O-])c1ccc(C(=O)NC[C@@H](c2c(F)cccc2Cl)[NH+]2CCCC2)cn1 ZINC000642274945 975292661 /nfs/dbraw/zinc/29/26/61/975292661.db2.gz OUYXVUYBZSDVOL-INIZCTEOSA-N 0 2 391.830 3.139 20 0 GGADLN COc1ccccc1-c1nc(C2CCN(c3ccc(C(=O)[O-])c[nH+]3)CC2)no1 ZINC000647453860 975364316 /nfs/dbraw/zinc/36/43/16/975364316.db2.gz WNZQVUSRBVTEFB-UHFFFAOYSA-N 0 2 380.404 3.222 20 0 GGADLN CC(C)OC1CC([N@@H+]2CCOc3c(Br)cc(C(=O)[O-])cc3C2)C1 ZINC001591695565 975523251 /nfs/dbraw/zinc/52/32/51/975523251.db2.gz KSMBXNUWSGIKIT-UHFFFAOYSA-N 0 2 384.270 3.298 20 0 GGADLN CC(C)OC1CC([N@H+]2CCOc3c(Br)cc(C(=O)[O-])cc3C2)C1 ZINC001591695565 975523259 /nfs/dbraw/zinc/52/32/59/975523259.db2.gz KSMBXNUWSGIKIT-UHFFFAOYSA-N 0 2 384.270 3.298 20 0 GGADLN CC(C)OC[C@H](C(=O)[O-])[N@H+](C)Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1 ZINC001591710524 975585378 /nfs/dbraw/zinc/58/53/78/975585378.db2.gz BDCSGWVONCPFBA-QGZVFWFLSA-N 0 2 399.413 3.260 20 0 GGADLN CC(C)OC[C@H](C(=O)[O-])[N@@H+](C)Cc1cnn(Cc2ccc(C(F)(F)F)cc2)c1 ZINC001591710524 975585389 /nfs/dbraw/zinc/58/53/89/975585389.db2.gz BDCSGWVONCPFBA-QGZVFWFLSA-N 0 2 399.413 3.260 20 0 GGADLN O=C([O-])[C@@H]1C[C@H](C(F)(F)F)C[N@H+](Cc2ccn(CCc3ccccc3)n2)C1 ZINC000656757759 975684294 /nfs/dbraw/zinc/68/42/94/975684294.db2.gz RTSBRQIZLBPVOQ-CVEARBPZSA-N 0 2 381.398 3.211 20 0 GGADLN O=C([O-])[C@@H]1C[C@H](C(F)(F)F)C[N@@H+](Cc2ccn(CCc3ccccc3)n2)C1 ZINC000656757759 975684299 /nfs/dbraw/zinc/68/42/99/975684299.db2.gz RTSBRQIZLBPVOQ-CVEARBPZSA-N 0 2 381.398 3.211 20 0 GGADLN O=C([O-])[C@@H]1CC[C@@H](c2ccccc2)[N@@H+]1Cc1nc(-c2ccc3c(c2)OCO3)no1 ZINC000659794147 975882813 /nfs/dbraw/zinc/88/28/13/975882813.db2.gz YRKISHPLTSJZHK-HOTGVXAUSA-N 0 2 393.399 3.256 20 0 GGADLN O=C([O-])[C@@H]1CC[C@@H](c2ccccc2)[N@H+]1Cc1nc(-c2ccc3c(c2)OCO3)no1 ZINC000659794147 975882824 /nfs/dbraw/zinc/88/28/24/975882824.db2.gz YRKISHPLTSJZHK-HOTGVXAUSA-N 0 2 393.399 3.256 20 0 GGADLN CC(C)Oc1ccc(C(=O)[O-])cc1NC(=O)NCC[NH+]1Cc2ccccc2C1 ZINC001591769304 975891878 /nfs/dbraw/zinc/89/18/78/975891878.db2.gz JBZSIRCDAWOTAO-UHFFFAOYSA-N 0 2 383.448 3.309 20 0 GGADLN O=C([O-])CCCCNC(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000666516480 975964466 /nfs/dbraw/zinc/96/44/66/975964466.db2.gz WBNQDJVXOFQGAC-HNNXBMFYSA-N 0 2 385.867 3.170 20 0 GGADLN CC[N@@H+]1CC[C@H](NC(=O)NCCCCC(=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000666539756 975967709 /nfs/dbraw/zinc/96/77/09/975967709.db2.gz ZAPSXPFBPZTGED-RDJZCZTQSA-N 0 2 385.867 3.169 20 0 GGADLN CC[N@H+]1CC[C@H](NC(=O)NCCCCC(=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000666539756 975967711 /nfs/dbraw/zinc/96/77/11/975967711.db2.gz ZAPSXPFBPZTGED-RDJZCZTQSA-N 0 2 385.867 3.169 20 0 GGADLN CC(C)[C@H](NC(=O)C[N@H+](Cc1cccs1)Cc1ccc2[nH]ccc2c1)C(=O)[O-] ZINC001591866705 976174867 /nfs/dbraw/zinc/17/48/67/976174867.db2.gz KYQXWFDRRPRWGU-FQEVSTJZSA-N 0 2 399.516 3.457 20 0 GGADLN CC(C)[C@H](NC(=O)C[N@@H+](Cc1cccs1)Cc1ccc2[nH]ccc2c1)C(=O)[O-] ZINC001591866705 976174876 /nfs/dbraw/zinc/17/48/76/976174876.db2.gz KYQXWFDRRPRWGU-FQEVSTJZSA-N 0 2 399.516 3.457 20 0 GGADLN CC(C)c1ccc(Oc2cc(C(=O)N[C@@H](Cc3c[nH]c[nH+]3)C(=O)[O-])ccn2)cc1 ZINC001591973196 976574069 /nfs/dbraw/zinc/57/40/69/976574069.db2.gz UQLSTTXDOUJQOD-SFHVURJKSA-N 0 2 394.431 3.146 20 0 GGADLN CC(C)c1ccc(Oc2cc(C(=O)N[C@@H](Cc3c[nH+]c[nH]3)C(=O)[O-])ccn2)cc1 ZINC001591973196 976574076 /nfs/dbraw/zinc/57/40/76/976574076.db2.gz UQLSTTXDOUJQOD-SFHVURJKSA-N 0 2 394.431 3.146 20 0 GGADLN C[C@H](CC(=O)Nc1cccc(C(=O)[O-])c1)[NH2+]c1ccc(N2CCOCC2)cc1 ZINC001592274013 977546417 /nfs/dbraw/zinc/54/64/17/977546417.db2.gz IOFOKLHZSNHENE-OAHLLOKOSA-N 0 2 383.448 3.051 20 0 GGADLN C[C@@](CC(=O)[O-])([NH2+]Cc1nc(-c2ccc3c(c2)OCO3)no1)c1cccc(F)c1 ZINC001592329227 977754285 /nfs/dbraw/zinc/75/42/85/977754285.db2.gz FGEYAACEPGMSLC-FQEVSTJZSA-N 0 2 399.378 3.084 20 0 GGADLN C[C@](CC(=O)[O-])([NH2+]Cc1nc2cc(Br)ccc2o1)c1ccccn1 ZINC001592329244 977755741 /nfs/dbraw/zinc/75/57/41/977755741.db2.gz FMWKQTKYTISMIZ-QGZVFWFLSA-N 0 2 390.237 3.465 20 0 GGADLN C[C@@](CC(=O)[O-])([NH2+]Cc1nc2sc3c(c2c(N)n1)CCCC3)c1ccncc1 ZINC001592329601 977760219 /nfs/dbraw/zinc/76/02/19/977760219.db2.gz IWHTYMYLYKKYOU-FQEVSTJZSA-N 0 2 397.504 3.027 20 0 GGADLN C[C@@](CC(=O)[O-])([NH2+]Cc1nn(-c2ccc(F)cc2)c2c1CCC2)c1ccccn1 ZINC001592329681 977761361 /nfs/dbraw/zinc/76/13/61/977761361.db2.gz KVQVOINFAQICKD-QFIPXVFZSA-N 0 2 394.450 3.375 20 0 GGADLN C[C@@H](CN(Cc1ccccc1)C(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F)C(=O)[O-] ZINC001592602202 978538955 /nfs/dbraw/zinc/53/89/55/978538955.db2.gz KJFSSOBXKUZPIB-ZFWWWQNUSA-N 0 2 383.370 3.126 20 0 GGADLN C[C@H](CN(Cc1ccccc1)C(=O)c1ccc(Cn2cc[nH+]c2)cc1)C(=O)[O-] ZINC001592604750 978546702 /nfs/dbraw/zinc/54/67/02/978546702.db2.gz CNRQFHWLNJSUQL-QGZVFWFLSA-N 0 2 377.444 3.295 20 0 GGADLN C[C@@H](CN(Cc1ccccc1)C(=O)c1cccc(Cn2cc[nH+]c2)c1)C(=O)[O-] ZINC001592605906 978553158 /nfs/dbraw/zinc/55/31/58/978553158.db2.gz RLELMIZVVQXCJP-KRWDZBQOSA-N 0 2 377.444 3.295 20 0 GGADLN Cc1ccc2[nH+]c(CSCC(=O)N[C@@H]3CCCCCC[C@@H]3C(=O)[O-])cn2c1 ZINC000832959284 979061326 /nfs/dbraw/zinc/06/13/26/979061326.db2.gz FMBBMASBDNSBIH-DLBZAZTESA-N 0 2 389.521 3.416 20 0 GGADLN Cc1ccc2[nH+]c(CSCC(=O)N[C@@H]3CCCCCC[C@H]3C(=O)[O-])cn2c1 ZINC000832959286 979061357 /nfs/dbraw/zinc/06/13/57/979061357.db2.gz FMBBMASBDNSBIH-IAGOWNOFSA-N 0 2 389.521 3.416 20 0 GGADLN Cc1ccc2[nH+]c(CSCC(=O)N[C@H]3CCCCCC[C@H]3C(=O)[O-])cn2c1 ZINC000832959288 979061439 /nfs/dbraw/zinc/06/14/39/979061439.db2.gz FMBBMASBDNSBIH-SJORKVTESA-N 0 2 389.521 3.416 20 0 GGADLN O=C([O-])[C@H]([NH2+]CC(=O)Nc1c(F)cc(F)cc1Br)c1ccccc1 ZINC000833110180 979086179 /nfs/dbraw/zinc/08/61/79/979086179.db2.gz LFIIHCPMZPBRFT-CQSZACIVSA-N 0 2 399.191 3.081 20 0 GGADLN O=C([O-])C[C@H]1CCC[N@@H+]1Cn1nc(-c2cccnc2)n(Cc2ccco2)c1=S ZINC000833211120 979119004 /nfs/dbraw/zinc/11/90/04/979119004.db2.gz CXYXLVWQZLAOTJ-OAHLLOKOSA-N 0 2 399.476 3.014 20 0 GGADLN O=C([O-])C[C@H]1CCC[N@H+]1Cn1nc(-c2cccnc2)n(Cc2ccco2)c1=S ZINC000833211120 979119008 /nfs/dbraw/zinc/11/90/08/979119008.db2.gz CXYXLVWQZLAOTJ-OAHLLOKOSA-N 0 2 399.476 3.014 20 0 GGADLN C[C@@H](CNC(=O)OC(C)(C)C)[N@H+](C)Cc1coc(-c2ccc(C(=O)[O-])cc2)n1 ZINC001592688580 979129360 /nfs/dbraw/zinc/12/93/60/979129360.db2.gz FGFPHHDNPAHOHZ-ZDUSSCGKSA-N 0 2 389.452 3.385 20 0 GGADLN C[C@@H](CNC(=O)OC(C)(C)C)[N@@H+](C)Cc1coc(-c2ccc(C(=O)[O-])cc2)n1 ZINC001592688580 979129361 /nfs/dbraw/zinc/12/93/61/979129361.db2.gz FGFPHHDNPAHOHZ-ZDUSSCGKSA-N 0 2 389.452 3.385 20 0 GGADLN CCOc1ccccc1C[N@@H+]1CCN(CCOc2ccccc2C(=O)[O-])[C@H](C)C1 ZINC000836693559 979246858 /nfs/dbraw/zinc/24/68/58/979246858.db2.gz SDXNMJCIXWDPGT-GOSISDBHSA-N 0 2 398.503 3.369 20 0 GGADLN CCOc1ccccc1C[N@H+]1CCN(CCOc2ccccc2C(=O)[O-])[C@H](C)C1 ZINC000836693559 979246867 /nfs/dbraw/zinc/24/68/67/979246867.db2.gz SDXNMJCIXWDPGT-GOSISDBHSA-N 0 2 398.503 3.369 20 0 GGADLN O=C([O-])C[NH+]1CCN(c2ncnc3cc(-c4ccc(Cl)cc4)sc32)CC1 ZINC000844214386 979373488 /nfs/dbraw/zinc/37/34/88/979373488.db2.gz ZTCLGBXGZLCKIC-UHFFFAOYSA-N 0 2 388.880 3.218 20 0 GGADLN Cn1c(Cl)cnc1C[N@H+](CCC(=O)[O-])Cc1cccc(Br)c1 ZINC000846285852 979457819 /nfs/dbraw/zinc/45/78/19/979457819.db2.gz QCJUCEPPGJUFPO-UHFFFAOYSA-N 0 2 386.677 3.313 20 0 GGADLN Cn1c(Cl)cnc1C[N@@H+](CCC(=O)[O-])Cc1cccc(Br)c1 ZINC000846285852 979457824 /nfs/dbraw/zinc/45/78/24/979457824.db2.gz QCJUCEPPGJUFPO-UHFFFAOYSA-N 0 2 386.677 3.313 20 0 GGADLN C[C@@](Cc1ccc(Cl)cc1)([NH2+]Cc1nnc(-c2ccccc2O)o1)C(=O)[O-] ZINC001592840294 979605241 /nfs/dbraw/zinc/60/52/41/979605241.db2.gz VQYUIWMTWAATDU-IBGZPJMESA-N 0 2 387.823 3.271 20 0 GGADLN Cc1nc2scc(C3CC3)n2c1C[NH2+][C@H](C(=O)[O-])c1ccc2c(c1)CCO2 ZINC000859816522 979647303 /nfs/dbraw/zinc/64/73/03/979647303.db2.gz GHFLXFBTQUMHSO-SFHVURJKSA-N 0 2 383.473 3.432 20 0 GGADLN O=C([O-])c1cn([C@@H]2CCC[N@H+](Cc3cc(C(F)(F)F)ccc3Cl)C2)nn1 ZINC000859817313 979649056 /nfs/dbraw/zinc/64/90/56/979649056.db2.gz OIDGANBBISTBJD-GFCCVEGCSA-N 0 2 388.777 3.486 20 0 GGADLN O=C([O-])c1cn([C@@H]2CCC[N@@H+](Cc3cc(C(F)(F)F)ccc3Cl)C2)nn1 ZINC000859817313 979649059 /nfs/dbraw/zinc/64/90/59/979649059.db2.gz OIDGANBBISTBJD-GFCCVEGCSA-N 0 2 388.777 3.486 20 0 GGADLN C[C@H](c1cccnc1)[NH+]1CCN(C(=O)Nc2ccc(C[C@H](C)C(=O)[O-])cc2)CC1 ZINC001592861659 979700949 /nfs/dbraw/zinc/70/09/49/979700949.db2.gz VKRKRMSZGYDWGG-DLBZAZTESA-N 0 2 396.491 3.256 20 0 GGADLN CC[C@@](COC)([NH2+]Cc1coc(-c2ccc(F)c(C(F)(F)F)c2)n1)C(=O)[O-] ZINC001595199490 979940999 /nfs/dbraw/zinc/94/09/99/979940999.db2.gz IBZBVZZVPBHGFH-INIZCTEOSA-N 0 2 390.333 3.469 20 0 GGADLN CC[C@](COC)([NH2+]Cc1coc(-c2ccc(F)c(C(F)(F)F)c2)n1)C(=O)[O-] ZINC001595199491 979941082 /nfs/dbraw/zinc/94/10/82/979941082.db2.gz IBZBVZZVPBHGFH-MRXNPFEDSA-N 0 2 390.333 3.469 20 0 GGADLN C[C@@]1(Cc2ccc(F)c(F)c2)CCC[N@@H+]1Cc1noc(CCCC(=O)[O-])n1 ZINC000872162084 980051570 /nfs/dbraw/zinc/05/15/70/980051570.db2.gz CQXLWOAOUUMVKX-IBGZPJMESA-N 0 2 379.407 3.352 20 0 GGADLN C[C@@]1(Cc2ccc(F)c(F)c2)CCC[N@H+]1Cc1noc(CCCC(=O)[O-])n1 ZINC000872162084 980051577 /nfs/dbraw/zinc/05/15/77/980051577.db2.gz CQXLWOAOUUMVKX-IBGZPJMESA-N 0 2 379.407 3.352 20 0 GGADLN COc1ccccc1[C@@H]1C[N@H+](CCOc2ccc(/C=C/C(=O)[O-])cc2)CCO1 ZINC000872163712 980056243 /nfs/dbraw/zinc/05/62/43/980056243.db2.gz KXGBRNJQWDIKPU-MAIVGLDJSA-N 0 2 383.444 3.245 20 0 GGADLN COc1ccccc1[C@@H]1C[N@@H+](CCOc2ccc(/C=C/C(=O)[O-])cc2)CCO1 ZINC000872163712 980056247 /nfs/dbraw/zinc/05/62/47/980056247.db2.gz KXGBRNJQWDIKPU-MAIVGLDJSA-N 0 2 383.444 3.245 20 0 GGADLN CC[N@@H+](Cc1ccc(O[C@H](C)C(=O)[O-])cc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000901417545 980264151 /nfs/dbraw/zinc/26/41/51/980264151.db2.gz QTJBELJDSNXSLF-CQSZACIVSA-N 0 2 381.432 3.209 20 0 GGADLN CC[N@H+](Cc1ccc(O[C@H](C)C(=O)[O-])cc1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000901417545 980264155 /nfs/dbraw/zinc/26/41/55/980264155.db2.gz QTJBELJDSNXSLF-CQSZACIVSA-N 0 2 381.432 3.209 20 0 GGADLN O=C([O-])c1ccc(C[N@@H+]2CCC[C@@H]2C(=O)NCc2ccco2)c(C(F)(F)F)c1 ZINC000901421845 980267812 /nfs/dbraw/zinc/26/78/12/980267812.db2.gz JTEWTNMCUQZCQS-MRXNPFEDSA-N 0 2 396.365 3.277 20 0 GGADLN O=C([O-])c1ccc(C[N@H+]2CCC[C@@H]2C(=O)NCc2ccco2)c(C(F)(F)F)c1 ZINC000901421845 980267816 /nfs/dbraw/zinc/26/78/16/980267816.db2.gz JTEWTNMCUQZCQS-MRXNPFEDSA-N 0 2 396.365 3.277 20 0 GGADLN CCOc1cc(C[N@@H+]2CCO[C@H](CC(=O)[O-])C2)ccc1OCc1ccccc1 ZINC000901501919 980320574 /nfs/dbraw/zinc/32/05/74/980320574.db2.gz HLECPRPLCMHOED-LJQANCHMSA-N 0 2 385.460 3.340 20 0 GGADLN CCOc1cc(C[N@H+]2CCO[C@H](CC(=O)[O-])C2)ccc1OCc1ccccc1 ZINC000901501919 980320578 /nfs/dbraw/zinc/32/05/78/980320578.db2.gz HLECPRPLCMHOED-LJQANCHMSA-N 0 2 385.460 3.340 20 0 GGADLN COc1cc(C[N@@H+]2CCO[C@@H](CC(=O)[O-])C2)ccc1OCc1ccc(F)cc1 ZINC000901503323 980323373 /nfs/dbraw/zinc/32/33/73/980323373.db2.gz QTZYFYFCXSNDEP-SFHVURJKSA-N 0 2 389.423 3.089 20 0 GGADLN COc1cc(C[N@H+]2CCO[C@@H](CC(=O)[O-])C2)ccc1OCc1ccc(F)cc1 ZINC000901503323 980323378 /nfs/dbraw/zinc/32/33/78/980323378.db2.gz QTZYFYFCXSNDEP-SFHVURJKSA-N 0 2 389.423 3.089 20 0 GGADLN COc1c(Cl)cc(Cl)cc1C[N@@H+]1CCC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC000901523425 980343640 /nfs/dbraw/zinc/34/36/40/980343640.db2.gz FUFPQTKZVQZBBH-LBPRGKRZSA-N 0 2 385.251 3.129 20 0 GGADLN COc1c(Cl)cc(Cl)cc1C[N@H+]1CCC[C@H](n2cc(C(=O)[O-])nn2)C1 ZINC000901523425 980343647 /nfs/dbraw/zinc/34/36/47/980343647.db2.gz FUFPQTKZVQZBBH-LBPRGKRZSA-N 0 2 385.251 3.129 20 0 GGADLN CC[C@]([NH2+]CC(=O)Nc1nnc(C(C)C)s1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595286543 980363302 /nfs/dbraw/zinc/36/33/02/980363302.db2.gz GMRNZTVCSHCAHI-QGZVFWFLSA-N 0 2 396.900 3.233 20 0 GGADLN C[N@@H+]1CC[C@H](NC(=O)Cc2ccccc2C(=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000901619451 980408437 /nfs/dbraw/zinc/40/84/37/980408437.db2.gz VJXFJBASUCRHRJ-HKUYNNGSSA-N 0 2 390.842 3.281 20 0 GGADLN C[N@H+]1CC[C@H](NC(=O)Cc2ccccc2C(=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000901619451 980408443 /nfs/dbraw/zinc/40/84/43/980408443.db2.gz VJXFJBASUCRHRJ-HKUYNNGSSA-N 0 2 390.842 3.281 20 0 GGADLN Cn1ncc(C(F)(F)F)c1C[N@H+](CCC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC000901655030 980430459 /nfs/dbraw/zinc/43/04/59/980430459.db2.gz KLHFYBYBBZFJFF-UHFFFAOYSA-N 0 2 377.313 3.194 20 0 GGADLN Cn1ncc(C(F)(F)F)c1C[N@@H+](CCC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC000901655030 980430461 /nfs/dbraw/zinc/43/04/61/980430461.db2.gz KLHFYBYBBZFJFF-UHFFFAOYSA-N 0 2 377.313 3.194 20 0 GGADLN CC[C@H]([NH2+]Cc1nc2cc(C(=O)[O-])ccc2c(=O)[nH]1)c1cc(F)ccc1OC ZINC001595306181 980456357 /nfs/dbraw/zinc/45/63/57/980456357.db2.gz VXJCBDZEPHIWOU-HNNXBMFYSA-N 0 2 385.395 3.422 20 0 GGADLN C[C@@H]1C[NH+](Cc2ccccc2NC(=O)Cc2ccccc2C(=O)[O-])C[C@@H](C)O1 ZINC000901964624 980654239 /nfs/dbraw/zinc/65/42/39/980654239.db2.gz CEWJRZMUQOLZJY-HZPDHXFCSA-N 0 2 382.460 3.175 20 0 GGADLN CC[C@@H](c1ccc(F)cc1F)[NH+]1CCN([C@H](C(=O)[O-])c2cccnc2)CC1 ZINC001595359557 980742283 /nfs/dbraw/zinc/74/22/83/980742283.db2.gz DJYRRFCTPYUGFU-OALUTQOASA-N 0 2 375.419 3.254 20 0 GGADLN CC[C@H](c1ccc(F)cc1F)[NH+]1CCN([C@H](C(=O)[O-])c2cccnc2)CC1 ZINC001595359556 980742446 /nfs/dbraw/zinc/74/24/46/980742446.db2.gz DJYRRFCTPYUGFU-MOPGFXCFSA-N 0 2 375.419 3.254 20 0 GGADLN CC[C@H](c1ccccc1)[N@H+](CC(=O)[O-])CC(=O)NC(=O)Nc1ccc(C)cc1C ZINC001595361498 980762420 /nfs/dbraw/zinc/76/24/20/980762420.db2.gz YQTPBBDGRGMVGA-LJQANCHMSA-N 0 2 397.475 3.489 20 0 GGADLN CC[C@H](c1ccccc1)[N@@H+](CC(=O)[O-])CC(=O)NC(=O)Nc1ccc(C)cc1C ZINC001595361498 980762422 /nfs/dbraw/zinc/76/24/22/980762422.db2.gz YQTPBBDGRGMVGA-LJQANCHMSA-N 0 2 397.475 3.489 20 0 GGADLN CC[C@H](c1ccccc1)[N@H+](CC(=O)[O-])CC(=O)Nc1ccc(OC)cc1OC ZINC001595361541 980763116 /nfs/dbraw/zinc/76/31/16/980763116.db2.gz ZROPIWJNDQURBU-GOSISDBHSA-N 0 2 386.448 3.180 20 0 GGADLN CC[C@H](c1ccccc1)[N@@H+](CC(=O)[O-])CC(=O)Nc1ccc(OC)cc1OC ZINC001595361541 980763118 /nfs/dbraw/zinc/76/31/18/980763118.db2.gz ZROPIWJNDQURBU-GOSISDBHSA-N 0 2 386.448 3.180 20 0 GGADLN CC[N@H+](Cc1ccc(-c2ccc(C(=O)[O-])cc2)o1)[C@H](C)CS(=O)(=O)CC ZINC000902517724 980917474 /nfs/dbraw/zinc/91/74/74/980917474.db2.gz HMOZWIMTKCWRCW-CQSZACIVSA-N 0 2 379.478 3.290 20 0 GGADLN CC[N@@H+](Cc1ccc(-c2ccc(C(=O)[O-])cc2)o1)[C@H](C)CS(=O)(=O)CC ZINC000902517724 980917475 /nfs/dbraw/zinc/91/74/75/980917475.db2.gz HMOZWIMTKCWRCW-CQSZACIVSA-N 0 2 379.478 3.290 20 0 GGADLN CC[N@H+](Cc1ccc(-c2ccc(C(=O)[O-])cc2)o1)[C@@H](C)CS(=O)(=O)CC ZINC000902517717 980917578 /nfs/dbraw/zinc/91/75/78/980917578.db2.gz HMOZWIMTKCWRCW-AWEZNQCLSA-N 0 2 379.478 3.290 20 0 GGADLN CC[N@@H+](Cc1ccc(-c2ccc(C(=O)[O-])cc2)o1)[C@@H](C)CS(=O)(=O)CC ZINC000902517717 980917580 /nfs/dbraw/zinc/91/75/80/980917580.db2.gz 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ZINC000911738129 982620538 /nfs/dbraw/zinc/62/05/38/982620538.db2.gz OUXROZJQBOWSNQ-LJQANCHMSA-N 0 2 398.459 3.012 20 0 GGADLN CCCCn1c(SC[C@@H]2CC(C(=O)[O-])=C(C)O2)nnc1[C@@H](CC)[NH+](C)C ZINC001595804058 982627943 /nfs/dbraw/zinc/62/79/43/982627943.db2.gz ZEXDVWQZGAIFTH-DZGCQCFKSA-N 0 2 382.530 3.331 20 0 GGADLN CCCN(CC(F)(F)F)C(=O)C[NH2+][C@](CC)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595862874 982802195 /nfs/dbraw/zinc/80/21/95/982802195.db2.gz OFMQMJADYQPXMS-INIZCTEOSA-N 0 2 394.821 3.420 20 0 GGADLN CCC[N@@H+]1Cc2cccc(NS(=O)(=O)c3cc(F)cc(C(=O)[O-])c3)c2C1 ZINC001595915699 983018449 /nfs/dbraw/zinc/01/84/49/983018449.db2.gz WMXIYBKLZUMHJX-UHFFFAOYSA-N 0 2 378.425 3.050 20 0 GGADLN CCC[N@H+]1Cc2cccc(NS(=O)(=O)c3cc(F)cc(C(=O)[O-])c3)c2C1 ZINC001595915699 983018458 /nfs/dbraw/zinc/01/84/58/983018458.db2.gz WMXIYBKLZUMHJX-UHFFFAOYSA-N 0 2 378.425 3.050 20 0 GGADLN CCCn1cc[nH+]c1CCCN(C)C(=O)Nc1cc(COC)cc(C(=O)[O-])c1 ZINC001596115559 983445227 /nfs/dbraw/zinc/44/52/27/983445227.db2.gz BDBGWEZPJZSAHZ-UHFFFAOYSA-N 0 2 388.468 3.234 20 0 GGADLN CCN(C(=O)C[NH2+][C@H](C)c1ncc(C(=O)[O-])s1)c1nc2ccccc2s1 ZINC001596143111 983496102 /nfs/dbraw/zinc/49/61/02/983496102.db2.gz JYOVVUVZZFDNDA-SNVBAGLBSA-N 0 2 390.490 3.155 20 0 GGADLN CCN(C(=O)C[NH2+][C@](C)(C(=O)[O-])c1ccc(F)cc1)[C@H](C)c1ccc(F)cc1 ZINC001596144340 983499864 /nfs/dbraw/zinc/49/98/64/983499864.db2.gz ZEHSBBOQTXSHJH-SZNDQCEHSA-N 0 2 390.430 3.464 20 0 GGADLN CCN(C(=O)C[NH2+][C@@](C)(C(=O)[O-])c1ccc(F)cc1)[C@H](C)c1ccc(F)cc1 ZINC001596144339 983499886 /nfs/dbraw/zinc/49/98/86/983499886.db2.gz ZEHSBBOQTXSHJH-SPLOXXLWSA-N 0 2 390.430 3.464 20 0 GGADLN CC[N@H+](CC(=O)N(CCC(F)(F)F)CC(=O)[O-])Cc1ccccc1Cl ZINC001596201485 983585866 /nfs/dbraw/zinc/58/58/66/983585866.db2.gz DFXHDKJLMWZQIH-UHFFFAOYSA-N 0 2 380.794 3.028 20 0 GGADLN CC[N@@H+](CC(=O)N(CCC(F)(F)F)CC(=O)[O-])Cc1ccccc1Cl ZINC001596201485 983585870 /nfs/dbraw/zinc/58/58/70/983585870.db2.gz DFXHDKJLMWZQIH-UHFFFAOYSA-N 0 2 380.794 3.028 20 0 GGADLN CCOC(=O)[C@H](c1ccc(Cl)cc1)[N@H+](CC)C[C@H]1CC(C(=O)[O-])=C(C)O1 ZINC001596542410 984387122 /nfs/dbraw/zinc/38/71/22/984387122.db2.gz BITNJGPJGFIVKY-WBVHZDCISA-N 0 2 381.856 3.414 20 0 GGADLN CCOC(=O)[C@H](c1ccc(Cl)cc1)[N@@H+](CC)C[C@H]1CC(C(=O)[O-])=C(C)O1 ZINC001596542410 984387127 /nfs/dbraw/zinc/38/71/27/984387127.db2.gz BITNJGPJGFIVKY-WBVHZDCISA-N 0 2 381.856 3.414 20 0 GGADLN CCOC(=O)[C@@H](c1ccc(Cl)cc1)[N@H+](CC)C[C@H]1CC(C(=O)[O-])=C(C)O1 ZINC001596542408 984387361 /nfs/dbraw/zinc/38/73/61/984387361.db2.gz BITNJGPJGFIVKY-NVXWUHKLSA-N 0 2 381.856 3.414 20 0 GGADLN CCOC(=O)[C@@H](c1ccc(Cl)cc1)[N@@H+](CC)C[C@H]1CC(C(=O)[O-])=C(C)O1 ZINC001596542408 984387367 /nfs/dbraw/zinc/38/73/67/984387367.db2.gz BITNJGPJGFIVKY-NVXWUHKLSA-N 0 2 381.856 3.414 20 0 GGADLN CCOC(=O)N1CCC[N@@H+]([C@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)CC1 ZINC001596651967 984686342 /nfs/dbraw/zinc/68/63/42/984686342.db2.gz TYPJZNYXNLELGX-AWEZNQCLSA-N 0 2 375.252 3.283 20 0 GGADLN CCOC(=O)N1CCC[N@H+]([C@H](C(=O)[O-])c2ccc(Cl)c(Cl)c2)CC1 ZINC001596651967 984686343 /nfs/dbraw/zinc/68/63/43/984686343.db2.gz TYPJZNYXNLELGX-AWEZNQCLSA-N 0 2 375.252 3.283 20 0 GGADLN CCOC(=O)c1ncc(C[N@@H+]2CCCC[C@@H]2c2ccc(C(=O)[O-])n2C)s1 ZINC001596752091 985109208 /nfs/dbraw/zinc/10/92/08/985109208.db2.gz ZZINUMKBENQZGN-CQSZACIVSA-N 0 2 377.466 3.084 20 0 GGADLN CCOC(=O)c1ncc(C[N@H+]2CCCC[C@@H]2c2ccc(C(=O)[O-])n2C)s1 ZINC001596752091 985109213 /nfs/dbraw/zinc/10/92/13/985109213.db2.gz ZZINUMKBENQZGN-CQSZACIVSA-N 0 2 377.466 3.084 20 0 GGADLN CC(=O)N(c1nc(C[N@@H+](C)C[C@@H](C)C(=O)[O-])cs1)c1ccc(F)cc1F ZINC001589053602 985147823 /nfs/dbraw/zinc/14/78/23/985147823.db2.gz BPNDFWGURKKXFC-SNVBAGLBSA-N 0 2 383.420 3.258 20 0 GGADLN CC(=O)N(c1nc(C[N@H+](C)C[C@@H](C)C(=O)[O-])cs1)c1ccc(F)cc1F ZINC001589053602 985147827 /nfs/dbraw/zinc/14/78/27/985147827.db2.gz BPNDFWGURKKXFC-SNVBAGLBSA-N 0 2 383.420 3.258 20 0 GGADLN CC(=O)N(c1nc(C[NH2+][C@H](CC(F)(F)F)C(=O)[O-])cs1)c1ccccc1 ZINC001589054762 985154741 /nfs/dbraw/zinc/15/47/41/985154741.db2.gz XFGSHKXLSOONFO-CYBMUJFWSA-N 0 2 387.383 3.323 20 0 GGADLN C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)[N@H+]1Cc1cc(C(=O)[O-])c2n1CCCC2 ZINC001599923261 985166748 /nfs/dbraw/zinc/16/67/48/985166748.db2.gz HXOZZEMPFYYMNE-GASCZTMLSA-N 0 2 391.512 3.352 20 0 GGADLN C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)[N@@H+]1Cc1cc(C(=O)[O-])c2n1CCCC2 ZINC001599923261 985166751 /nfs/dbraw/zinc/16/67/51/985166751.db2.gz HXOZZEMPFYYMNE-GASCZTMLSA-N 0 2 391.512 3.352 20 0 GGADLN C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H](c2noc([C@@H]3CCC[C@@H](C(=O)[O-])C3)n2)O1 ZINC001599930250 985301345 /nfs/dbraw/zinc/30/13/45/985301345.db2.gz LAKBRTBMMNKEML-HPBDAGMYSA-N 0 2 385.464 3.390 20 0 GGADLN C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H](c2noc([C@@H]3CCC[C@@H](C(=O)[O-])C3)n2)O1 ZINC001599930250 985301356 /nfs/dbraw/zinc/30/13/56/985301356.db2.gz LAKBRTBMMNKEML-HPBDAGMYSA-N 0 2 385.464 3.390 20 0 GGADLN C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H](c2noc([C@H]3CCC[C@H](C(=O)[O-])C3)n2)O1 ZINC001599930249 985301760 /nfs/dbraw/zinc/30/17/60/985301760.db2.gz LAKBRTBMMNKEML-DKIMLUQUSA-N 0 2 385.464 3.390 20 0 GGADLN C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H](c2noc([C@H]3CCC[C@H](C(=O)[O-])C3)n2)O1 ZINC001599930249 985301772 /nfs/dbraw/zinc/30/17/72/985301772.db2.gz LAKBRTBMMNKEML-DKIMLUQUSA-N 0 2 385.464 3.390 20 0 GGADLN Cc1[nH]c(C(=O)[C@@H](C)[NH2+][C@@H](c2cnn(C)c2)c2ccccc2)c(C)c1C(=O)[O-] ZINC001599944933 985510086 /nfs/dbraw/zinc/51/00/86/985510086.db2.gz RKZRLHQUGFFSPJ-AUUYWEPGSA-N 0 2 380.448 3.014 20 0 GGADLN Cc1[nH]c(C(=O)[C@H](C)[NH+]2CCC(C(=O)c3ccccc3)CC2)c(C)c1C(=O)[O-] ZINC001599944963 985510592 /nfs/dbraw/zinc/51/05/92/985510592.db2.gz LWPKBMWZQOUBCX-HNNXBMFYSA-N 0 2 382.460 3.496 20 0 GGADLN CC(C)[C@H](C(=O)Nc1cc(F)c(Cl)c(C(=O)[O-])c1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001594500334 985675950 /nfs/dbraw/zinc/67/59/50/985675950.db2.gz IBCQEGVYUZCMFF-GLKRBJQHSA-N 0 2 386.851 3.250 20 0 GGADLN Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC001599955787 985686714 /nfs/dbraw/zinc/68/67/14/985686714.db2.gz PPQHUPWZHAENOC-PBHICJAKSA-N 0 2 393.846 3.297 20 0 GGADLN Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)c(F)c1 ZINC001599955787 985686721 /nfs/dbraw/zinc/68/67/21/985686721.db2.gz PPQHUPWZHAENOC-PBHICJAKSA-N 0 2 393.846 3.297 20 0 GGADLN Cc1[nH]c(C(=O)[O-])cc1C(=O)C[N@@H+](C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC001599957202 985708268 /nfs/dbraw/zinc/70/82/68/985708268.db2.gz IIOZNOQTJXLINU-WBVHZDCISA-N 0 2 397.258 3.101 20 0 GGADLN Cc1[nH]c(C(=O)[O-])cc1C(=O)C[N@H+](C)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC001599957202 985708281 /nfs/dbraw/zinc/70/82/81/985708281.db2.gz IIOZNOQTJXLINU-WBVHZDCISA-N 0 2 397.258 3.101 20 0 GGADLN Cc1[nH]c(C(=O)[O-])cc1C(=O)C[N@@H+](C)Cc1ccc(Br)c(F)c1 ZINC001599957221 985710075 /nfs/dbraw/zinc/71/00/75/985710075.db2.gz JIGYYGXXWLZQFJ-UHFFFAOYSA-N 0 2 383.217 3.238 20 0 GGADLN Cc1[nH]c(C(=O)[O-])cc1C(=O)C[N@H+](C)Cc1ccc(Br)c(F)c1 ZINC001599957221 985710084 /nfs/dbraw/zinc/71/00/84/985710084.db2.gz JIGYYGXXWLZQFJ-UHFFFAOYSA-N 0 2 383.217 3.238 20 0 GGADLN Cc1[nH]c(C(=O)[O-])cc1C(=O)C[N@H+](CCc1ccccc1)Cc1cccnc1 ZINC001599958478 985731664 /nfs/dbraw/zinc/73/16/64/985731664.db2.gz CQEBCDMYQYWXRC-UHFFFAOYSA-N 0 2 377.444 3.344 20 0 GGADLN Cc1[nH]c(C(=O)[O-])cc1C(=O)C[N@@H+](CCc1ccccc1)Cc1cccnc1 ZINC001599958478 985731671 /nfs/dbraw/zinc/73/16/71/985731671.db2.gz CQEBCDMYQYWXRC-UHFFFAOYSA-N 0 2 377.444 3.344 20 0 GGADLN Cc1[nH]c(C(=O)[O-])cc1C(=O)C[NH+]1CCC([C@@H](O)c2ccc(Cl)cc2)CC1 ZINC001599958686 985736318 /nfs/dbraw/zinc/73/63/18/985736318.db2.gz FCLYZXXCKQFNKJ-IBGZPJMESA-N 0 2 390.867 3.303 20 0 GGADLN CCOC[C@@H](C(=O)[O-])[N@H+](C)Cc1c(C)nn(Cc2ccc(Cl)cc2)c1C ZINC001596885260 985787156 /nfs/dbraw/zinc/78/71/56/985787156.db2.gz VUXLJZARJQDTDO-SFHVURJKSA-N 0 2 379.888 3.123 20 0 GGADLN CCOC[C@@H](C(=O)[O-])[N@@H+](C)Cc1c(C)nn(Cc2ccc(Cl)cc2)c1C ZINC001596885260 985787169 /nfs/dbraw/zinc/78/71/69/985787169.db2.gz VUXLJZARJQDTDO-SFHVURJKSA-N 0 2 379.888 3.123 20 0 GGADLN CC(=O)c1[nH]c(CC(=O)OCc2ccc(-n3cc[nH+]c3)cc2C)c(C(=O)[O-])c1C ZINC001589248581 985859175 /nfs/dbraw/zinc/85/91/75/985859175.db2.gz HUXFBGAFCVUTSS-UHFFFAOYSA-N 0 2 395.415 3.004 20 0 GGADLN CC(=O)c1cc(C(=O)[O-])ccc1OC(=O)Cn1c(C)[nH+]c2cc(F)c(F)cc21 ZINC001589266927 985942743 /nfs/dbraw/zinc/94/27/43/985942743.db2.gz NNHWOMGZDMOFPK-UHFFFAOYSA-N 0 2 388.326 3.129 20 0 GGADLN CCOCCCN(c1cc[nH+]cc1)S(=O)(=O)c1cc(Cl)ccc1C(=O)[O-] ZINC001596915555 985943359 /nfs/dbraw/zinc/94/33/59/985943359.db2.gz ZKAMGEPDUTYYGI-UHFFFAOYSA-N 0 2 398.868 3.055 20 0 GGADLN CC(=O)c1ccc(NC(=O)C[NH2+][C@]2(C(=O)[O-])CC[C@@H](C)c3ccccc32)cc1 ZINC001589301309 986058137 /nfs/dbraw/zinc/05/81/37/986058137.db2.gz UCNHRBLBYYXVAW-JLCFBVMHSA-N 0 2 380.444 3.295 20 0 GGADLN C[C@@H]1C[N@@H+](Cc2cc(C(=O)[O-])c3n2CCCC3)C[C@H](C)N1C(=O)OC(C)(C)C ZINC001594535179 986146358 /nfs/dbraw/zinc/14/63/58/986146358.db2.gz MCKWHMCAZPJTHL-GASCZTMLSA-N 0 2 391.512 3.352 20 0 GGADLN C[C@@H]1C[N@H+](Cc2cc(C(=O)[O-])c3n2CCCC3)C[C@H](C)N1C(=O)OC(C)(C)C ZINC001594535179 986146361 /nfs/dbraw/zinc/14/63/61/986146361.db2.gz MCKWHMCAZPJTHL-GASCZTMLSA-N 0 2 391.512 3.352 20 0 GGADLN C[C@@H]1C[NH+](Cc2cc(C(=O)[O-])c3n2CCCC3)C[C@@H](C)N1C(=O)OC(C)(C)C ZINC001594535185 986146581 /nfs/dbraw/zinc/14/65/81/986146581.db2.gz MCKWHMCAZPJTHL-HUUCEWRRSA-N 0 2 391.512 3.352 20 0 GGADLN C[C@@H]1C[NH+](Cc2ccccc2NC(=O)c2cc(F)cc(C(=O)[O-])c2)C[C@@H](C)O1 ZINC001594544494 986199486 /nfs/dbraw/zinc/19/94/86/986199486.db2.gz IDQPABNMKUHPNG-ZIAGYGMSSA-N 0 2 386.423 3.385 20 0 GGADLN C[C@H]1C[NH+](Cc2ccccc2NC(=O)N[C@H]2CC[C@@H](CC(=O)[O-])C2)C[C@H](C)O1 ZINC001594544744 986201291 /nfs/dbraw/zinc/20/12/91/986201291.db2.gz LUAATSNLVDQRTL-CUSZFKRNSA-N 0 2 389.496 3.061 20 0 GGADLN C[C@@H]1C[NH+](Cc2ccccc2NC(=O)NCCCCCC(=O)[O-])C[C@@H](C)O1 ZINC001594545421 986208202 /nfs/dbraw/zinc/20/82/02/986208202.db2.gz RNZYMDBTEIKRRR-HZPDHXFCSA-N 0 2 377.485 3.062 20 0 GGADLN C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N[C@](C)(CC(=O)[O-])C2CC2)C[C@@H](C)O1 ZINC001594546226 986213449 /nfs/dbraw/zinc/21/34/49/986213449.db2.gz YVRPMHPXBQPCRI-VTJXTGGHSA-N 0 2 389.496 3.061 20 0 GGADLN C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)N[C@](C)(CC(=O)[O-])C2CC2)C[C@H](C)O1 ZINC001594546221 986213962 /nfs/dbraw/zinc/21/39/62/986213962.db2.gz YVRPMHPXBQPCRI-LRAJWGHMSA-N 0 2 389.496 3.061 20 0 GGADLN C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)N[C@](C)(CC(=O)[O-])C2CC2)C[C@H](C)O1 ZINC001594546221 986213975 /nfs/dbraw/zinc/21/39/75/986213975.db2.gz YVRPMHPXBQPCRI-LRAJWGHMSA-N 0 2 389.496 3.061 20 0 GGADLN C[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1cn(-c2ccc(Cl)c(Cl)c2)nc1C(=O)[O-] ZINC001594547430 986225033 /nfs/dbraw/zinc/22/50/33/986225033.db2.gz KCGDGPKSAMLIAC-MNOVXSKESA-N 0 2 384.263 3.487 20 0 GGADLN C[C@@H]1CO[C@@H](C)C[N@H+]1Cc1cn(-c2ccc(Cl)c(Cl)c2)nc1C(=O)[O-] ZINC001594547430 986225046 /nfs/dbraw/zinc/22/50/46/986225046.db2.gz KCGDGPKSAMLIAC-MNOVXSKESA-N 0 2 384.263 3.487 20 0 GGADLN CCOc1cc(C(=O)[O-])ccc1NC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC001597015385 986365068 /nfs/dbraw/zinc/36/50/68/986365068.db2.gz OVCPXNBJAOLHKF-UHFFFAOYSA-N 0 2 379.416 3.210 20 0 GGADLN C[C@H](C(=O)N1CCSc2ccccc21)[N@@H+]1CCc2c(cccc2C(=O)[O-])C1 ZINC001589364315 986383130 /nfs/dbraw/zinc/38/31/30/986383130.db2.gz FHCGWEPVRSLIET-CQSZACIVSA-N 0 2 382.485 3.270 20 0 GGADLN C[C@H](C(=O)N1CCSc2ccccc21)[N@H+]1CCc2c(cccc2C(=O)[O-])C1 ZINC001589364315 986383136 /nfs/dbraw/zinc/38/31/36/986383136.db2.gz FHCGWEPVRSLIET-CQSZACIVSA-N 0 2 382.485 3.270 20 0 GGADLN C[C@H](C(=O)N1CCSc2ccccc21)[N@@H+]1CCc2cc(C(=O)[O-])ccc2C1 ZINC001589364567 986385627 /nfs/dbraw/zinc/38/56/27/986385627.db2.gz JHMGHJFBFCJRBD-CQSZACIVSA-N 0 2 382.485 3.270 20 0 GGADLN C[C@H](C(=O)N1CCSc2ccccc21)[N@H+]1CCc2cc(C(=O)[O-])ccc2C1 ZINC001589364567 986385635 /nfs/dbraw/zinc/38/56/35/986385635.db2.gz JHMGHJFBFCJRBD-CQSZACIVSA-N 0 2 382.485 3.270 20 0 GGADLN CCOc1cc(C(=O)[O-])ccc1NC(=O)N1CC[NH+](Cc2cccs2)CC1 ZINC001597017022 986390152 /nfs/dbraw/zinc/39/01/52/986390152.db2.gz QYCIUQCVCBESRQ-UHFFFAOYSA-N 0 2 389.477 3.195 20 0 GGADLN C[C@H]1CN(c2ccc(NCc3cc(C(=O)[O-])c4n3CCCC4)c[nH+]2)C[C@H](C)O1 ZINC001594574908 986408388 /nfs/dbraw/zinc/40/83/88/986408388.db2.gz GNKAABWBMWHTGE-GJZGRUSLSA-N 0 2 384.480 3.143 20 0 GGADLN CCOc1cc(C(=O)[O-])ccc1NC(=O)NCc1ccccc1Cn1cc[nH+]c1 ZINC001597021331 986411022 /nfs/dbraw/zinc/41/10/22/986411022.db2.gz XDLRLQGKAPADTN-UHFFFAOYSA-N 0 2 394.431 3.350 20 0 GGADLN CCOc1ccc(C[C@H](CNC(=O)Nc2c(C)cc(C)[nH+]c2C)C(=O)[O-])cc1 ZINC001597088412 986662318 /nfs/dbraw/zinc/66/23/18/986662318.db2.gz NJPPRFRUGTXLSA-QGZVFWFLSA-N 0 2 385.464 3.471 20 0 GGADLN CCOc1ccc(C[N@H+](C)Cn2nc(C(=O)[O-])c(Br)c2C)cc1 ZINC001597100157 986703073 /nfs/dbraw/zinc/70/30/73/986703073.db2.gz CZURESKFDASCER-UHFFFAOYSA-N 0 2 382.258 3.140 20 0 GGADLN CCOc1ccc(C[N@@H+](C)Cn2nc(C(=O)[O-])c(Br)c2C)cc1 ZINC001597100157 986703081 /nfs/dbraw/zinc/70/30/81/986703081.db2.gz CZURESKFDASCER-UHFFFAOYSA-N 0 2 382.258 3.140 20 0 GGADLN CCOc1ccc(NC(=O)C[NH2+][C@@H](C(=O)[O-])c2ccc(OC)c(Cl)c2)cc1 ZINC001597111047 986759314 /nfs/dbraw/zinc/75/93/14/986759314.db2.gz CWXLCYXSOLSEPD-GOSISDBHSA-N 0 2 392.839 3.101 20 0 GGADLN C[C@H](C(=O)Nc1cccnc1SCCC(=O)[O-])[N@@H+]1CCc2ccccc2C1 ZINC001589444698 986801673 /nfs/dbraw/zinc/80/16/73/986801673.db2.gz PFIGPGHZZOTAFF-CQSZACIVSA-N 0 2 385.489 3.034 20 0 GGADLN C[C@H](C(=O)Nc1cccnc1SCCC(=O)[O-])[N@H+]1CCc2ccccc2C1 ZINC001589444698 986801681 /nfs/dbraw/zinc/80/16/81/986801681.db2.gz PFIGPGHZZOTAFF-CQSZACIVSA-N 0 2 385.489 3.034 20 0 GGADLN C[C@@H](C(=O)Nc1nc2ccccc2s1)[N@H+]1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC001589449070 986834384 /nfs/dbraw/zinc/83/43/84/986834384.db2.gz YMAMGCXGOMTUOS-SWLSCSKDSA-N 0 2 381.457 3.307 20 0 GGADLN C[C@@H](C(=O)Nc1nc2ccccc2s1)[N@@H+]1Cc2ccccc2[C@H](C(=O)[O-])C1 ZINC001589449070 986834395 /nfs/dbraw/zinc/83/43/95/986834395.db2.gz YMAMGCXGOMTUOS-SWLSCSKDSA-N 0 2 381.457 3.307 20 0 GGADLN C[C@@H]1OCC[N@H+](Cc2cn(-c3ccc(Cl)c(Cl)c3)nc2C(=O)[O-])[C@H]1C ZINC001594648215 986851091 /nfs/dbraw/zinc/85/10/91/986851091.db2.gz GHLPIDNNXYCPEG-QWRGUYRKSA-N 0 2 384.263 3.487 20 0 GGADLN C[C@@H]1OCC[N@@H+](Cc2cn(-c3ccc(Cl)c(Cl)c3)nc2C(=O)[O-])[C@H]1C ZINC001594648215 986851106 /nfs/dbraw/zinc/85/11/06/986851106.db2.gz GHLPIDNNXYCPEG-QWRGUYRKSA-N 0 2 384.263 3.487 20 0 GGADLN CCOc1ccc2nc(NC(=O)C[NH2+][C@](C)(C(=O)[O-])c3ccccc3)sc2c1 ZINC001597143900 986902261 /nfs/dbraw/zinc/90/22/61/986902261.db2.gz NGIICIUTUAGOCL-FQEVSTJZSA-N 0 2 399.472 3.223 20 0 GGADLN CCOc1cccc(C[N@H+](CCO)Cc2coc(-c3ccc(C(=O)[O-])cc3)n2)c1 ZINC001597155808 986953308 /nfs/dbraw/zinc/95/33/08/986953308.db2.gz RUOUDQHVGYHJEU-UHFFFAOYSA-N 0 2 396.443 3.433 20 0 GGADLN CCOc1cccc(C[N@@H+](CCO)Cc2coc(-c3ccc(C(=O)[O-])cc3)n2)c1 ZINC001597155808 986953321 /nfs/dbraw/zinc/95/33/21/986953321.db2.gz RUOUDQHVGYHJEU-UHFFFAOYSA-N 0 2 396.443 3.433 20 0 GGADLN C[C@@H](C(=O)[O-])[N@H+](Cc1nnc(-c2ccc(Br)s2)o1)C1CCC1 ZINC001589486290 987024940 /nfs/dbraw/zinc/02/49/40/987024940.db2.gz CMDRJAUZXUDVGM-QMMMGPOBSA-N 0 2 386.271 3.388 20 0 GGADLN C[C@@H](C(=O)[O-])[N@@H+](Cc1nnc(-c2ccc(Br)s2)o1)C1CCC1 ZINC001589486290 987024952 /nfs/dbraw/zinc/02/49/52/987024952.db2.gz CMDRJAUZXUDVGM-QMMMGPOBSA-N 0 2 386.271 3.388 20 0 GGADLN C[C@@H](C(=O)[O-])c1ccc(NC(=O)N2CC[NH+]([C@H](C)c3cccnc3)CC2)cc1 ZINC001589510471 987135661 /nfs/dbraw/zinc/13/56/61/987135661.db2.gz UNAIALQQFKQUGA-HZPDHXFCSA-N 0 2 382.464 3.180 20 0 GGADLN CCS(=O)(=O)c1ccc(C[N@@H+]2CCC[C@@H](c3ncc(C(=O)[O-])s3)C2)cc1 ZINC001597234215 987196710 /nfs/dbraw/zinc/19/67/10/987196710.db2.gz VSRZRMVWVOPPQH-CQSZACIVSA-N 0 2 394.518 3.015 20 0 GGADLN CCS(=O)(=O)c1ccc(C[N@H+]2CCC[C@@H](c3ncc(C(=O)[O-])s3)C2)cc1 ZINC001597234215 987196714 /nfs/dbraw/zinc/19/67/14/987196714.db2.gz VSRZRMVWVOPPQH-CQSZACIVSA-N 0 2 394.518 3.015 20 0 GGADLN CC[C@H](C(=O)N(C)c1ccc(C)cc1)[N@@H+]1CCOc2c(cccc2C(=O)[O-])C1 ZINC001594724751 987222460 /nfs/dbraw/zinc/22/24/60/987222460.db2.gz CGFMWHYKNJEYNF-LJQANCHMSA-N 0 2 382.460 3.329 20 0 GGADLN CC[C@H](C(=O)N(C)c1ccc(C)cc1)[N@H+]1CCOc2c(cccc2C(=O)[O-])C1 ZINC001594724751 987222469 /nfs/dbraw/zinc/22/24/69/987222469.db2.gz CGFMWHYKNJEYNF-LJQANCHMSA-N 0 2 382.460 3.329 20 0 GGADLN CC(C)(C(=O)[O-])[C@H](NC(=O)C[C@H](n1cc[nH+]c1)C(F)(F)F)c1ccccc1 ZINC001589592162 987400730 /nfs/dbraw/zinc/40/07/30/987400730.db2.gz QOTTWOLMDOECQK-DZGCQCFKSA-N 0 2 383.370 3.345 20 0 GGADLN CCc1[nH]c(C(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c(C)c1C(=O)[O-] ZINC001597360876 987516531 /nfs/dbraw/zinc/51/65/31/987516531.db2.gz ISBGOZCLCFWHGL-AWEZNQCLSA-N 0 2 384.480 3.136 20 0 GGADLN CCc1[nH]c(C[N@H+](CCO)Cc2cc(Br)ccc2F)cc1C(=O)[O-] ZINC001597383374 987582861 /nfs/dbraw/zinc/58/28/61/987582861.db2.gz DWSBCOKFZWBTSZ-UHFFFAOYSA-N 0 2 399.260 3.171 20 0 GGADLN CCc1[nH]c(C[N@@H+](CCO)Cc2cc(Br)ccc2F)cc1C(=O)[O-] ZINC001597383374 987582864 /nfs/dbraw/zinc/58/28/64/987582864.db2.gz DWSBCOKFZWBTSZ-UHFFFAOYSA-N 0 2 399.260 3.171 20 0 GGADLN CCc1[nH]c(C[N@@H+]2CCCC[C@@H]2C(=O)Nc2ccc3c(c2)CCO3)cc1C(=O)[O-] ZINC001597386263 987602979 /nfs/dbraw/zinc/60/29/79/987602979.db2.gz HOIAMYMUYYLYEJ-LJQANCHMSA-N 0 2 397.475 3.203 20 0 GGADLN CCc1[nH]c(C[N@H+]2CCCC[C@@H]2C(=O)Nc2ccc3c(c2)CCO3)cc1C(=O)[O-] ZINC001597386263 987602982 /nfs/dbraw/zinc/60/29/82/987602982.db2.gz HOIAMYMUYYLYEJ-LJQANCHMSA-N 0 2 397.475 3.203 20 0 GGADLN CCc1[nH]c(C[N@@H+]2CCCC[C@H]2C(=O)Nc2ccc3c(c2)CCO3)cc1C(=O)[O-] ZINC001597386261 987603096 /nfs/dbraw/zinc/60/30/96/987603096.db2.gz HOIAMYMUYYLYEJ-IBGZPJMESA-N 0 2 397.475 3.203 20 0 GGADLN CCc1[nH]c(C[N@H+]2CCCC[C@H]2C(=O)Nc2ccc3c(c2)CCO3)cc1C(=O)[O-] ZINC001597386261 987603101 /nfs/dbraw/zinc/60/31/01/987603101.db2.gz HOIAMYMUYYLYEJ-IBGZPJMESA-N 0 2 397.475 3.203 20 0 GGADLN CC(C)(C)[C@@H]1CC[N@H+](CC(=O)Nc2sc3c(c2C(=O)[O-])CCCC3)CCO1 ZINC001589732848 987969010 /nfs/dbraw/zinc/96/90/10/987969010.db2.gz ZKANEDVUBMZKOB-HNNXBMFYSA-N 0 2 394.537 3.401 20 0 GGADLN CC(C)(C)[C@@H]1CC[N@@H+](CC(=O)Nc2sc3c(c2C(=O)[O-])CCCC3)CCO1 ZINC001589732848 987969016 /nfs/dbraw/zinc/96/90/16/987969016.db2.gz ZKANEDVUBMZKOB-HNNXBMFYSA-N 0 2 394.537 3.401 20 0 GGADLN CCc1ccc(-c2noc([C@@H](C)[NH2+]Cc3c(C)nn(CCC(=O)[O-])c3C)n2)cc1 ZINC001597491962 988021804 /nfs/dbraw/zinc/02/18/04/988021804.db2.gz MEDPPEDJDRYLOO-CQSZACIVSA-N 0 2 397.479 3.438 20 0 GGADLN CCc1cccc(NC(=O)C[NH2+][C@H](C(=O)[O-])c2cccc(Br)c2)c1 ZINC001597594940 988435276 /nfs/dbraw/zinc/43/52/76/988435276.db2.gz BOZMNTLDMFTQNU-KRWDZBQOSA-N 0 2 391.265 3.366 20 0 GGADLN CCc1ccccc1Nc1nc(N)nc(C[N@H+](CC2CC2)[C@@](C)(CC)C(=O)[O-])n1 ZINC001597614965 988526766 /nfs/dbraw/zinc/52/67/66/988526766.db2.gz MVWNYKHCTLFYOK-NRFANRHFSA-N 0 2 398.511 3.225 20 0 GGADLN CCc1ccccc1Nc1nc(N)nc(C[N@@H+](CC2CC2)[C@@](C)(CC)C(=O)[O-])n1 ZINC001597614965 988526778 /nfs/dbraw/zinc/52/67/78/988526778.db2.gz MVWNYKHCTLFYOK-NRFANRHFSA-N 0 2 398.511 3.225 20 0 GGADLN CC(C)(C)OC(=O)C[N@H+](CCC(=O)[O-])Cc1cccc(OCC(F)(F)F)c1 ZINC001589891533 988580418 /nfs/dbraw/zinc/58/04/18/988580418.db2.gz MRGRZMMELAXEMW-UHFFFAOYSA-N 0 2 391.386 3.246 20 0 GGADLN CC(C)(C)OC(=O)C[N@@H+](CCC(=O)[O-])Cc1cccc(OCC(F)(F)F)c1 ZINC001589891533 988580430 /nfs/dbraw/zinc/58/04/30/988580430.db2.gz MRGRZMMELAXEMW-UHFFFAOYSA-N 0 2 391.386 3.246 20 0 GGADLN CSc1ccccc1NC(=O)C[N@H+](C)Cc1ccccc1O[C@H](C)C(=O)[O-] ZINC001599825273 988588278 /nfs/dbraw/zinc/58/82/78/988588278.db2.gz PPAFRTOCTJERHZ-CQSZACIVSA-N 0 2 388.489 3.331 20 0 GGADLN CSc1ccccc1NC(=O)C[N@@H+](C)Cc1ccccc1O[C@H](C)C(=O)[O-] ZINC001599825273 988588285 /nfs/dbraw/zinc/58/82/85/988588285.db2.gz PPAFRTOCTJERHZ-CQSZACIVSA-N 0 2 388.489 3.331 20 0 GGADLN C[C@@H](C(=O)[O-])N(Cc1ccccc1)C(=O)C[C@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC001599831729 988685576 /nfs/dbraw/zinc/68/55/76/988685576.db2.gz OQMBZZXPEDAJHJ-LPHOPBHVSA-N 0 2 377.444 3.434 20 0 GGADLN CC(C)(C)OC(=O)N1CCC2(CCCN(c3ccc(C(=O)[O-])c[nH+]3)C2)CC1 ZINC001590002907 988923907 /nfs/dbraw/zinc/92/39/07/988923907.db2.gz FXVONWRLBNYOEI-UHFFFAOYSA-N 0 2 375.469 3.397 20 0 GGADLN CC(C)(C)OC(=O)N1CC[C@@H]2C[N@H+](Cc3ccc(C(=O)[O-])c(Cl)c3)[C@@H]2C1 ZINC001590075263 989174961 /nfs/dbraw/zinc/17/49/61/989174961.db2.gz YPBUZEFESZVNCO-CZUORRHYSA-N 0 2 380.872 3.479 20 0 GGADLN CC(C)(C)OC(=O)N1CC[C@@H]2C[N@@H+](Cc3ccc(C(=O)[O-])c(Cl)c3)[C@@H]2C1 ZINC001590075263 989174963 /nfs/dbraw/zinc/17/49/63/989174963.db2.gz YPBUZEFESZVNCO-CZUORRHYSA-N 0 2 380.872 3.479 20 0 GGADLN CCc1nsc(N2CC[NH+](Cc3ccc(-c4ccccc4C(=O)[O-])o3)CC2)n1 ZINC001597761105 989184996 /nfs/dbraw/zinc/18/49/96/989184996.db2.gz VIAFDKSBIOKYMQ-UHFFFAOYSA-N 0 2 398.488 3.381 20 0 GGADLN CC(C)(C)OC(=O)N1CCc2nc(C[N@@H+]3CCCCC[C@@H]3C(=O)[O-])sc2C1 ZINC001590085080 989199820 /nfs/dbraw/zinc/19/98/20/989199820.db2.gz PHUOLKKRYUUZFU-CQSZACIVSA-N 0 2 395.525 3.266 20 0 GGADLN CC(C)(C)OC(=O)N1CCc2nc(C[N@H+]3CCCCC[C@@H]3C(=O)[O-])sc2C1 ZINC001590085080 989199825 /nfs/dbraw/zinc/19/98/25/989199825.db2.gz PHUOLKKRYUUZFU-CQSZACIVSA-N 0 2 395.525 3.266 20 0 GGADLN CCc1oc(C(=O)[O-])cc1C[NH2+][C@H](c1ccc(C)cc1)[C@@H](C)S(C)(=O)=O ZINC001597767394 989220474 /nfs/dbraw/zinc/22/04/74/989220474.db2.gz LJCGJNVRWRGWCS-ACJLOTCBSA-N 0 2 379.478 3.113 20 0 GGADLN CCc1oc(C[NH+]2CCN([C@@H](CO)c3ccc(Cl)cc3)CC2)cc1C(=O)[O-] ZINC001597799002 989376449 /nfs/dbraw/zinc/37/64/49/989376449.db2.gz KRYLMPNOCZFXPZ-SFHVURJKSA-N 0 2 392.883 3.045 20 0 GGADLN CCn1c(-c2ccco2)nn(C[N@@H+]2CCC[C@@H](C(C)(C)C(=O)[O-])C2)c1=S ZINC001597826350 989480371 /nfs/dbraw/zinc/48/03/71/989480371.db2.gz BWWVVLNCOCTOPY-CYBMUJFWSA-N 0 2 378.498 3.474 20 0 GGADLN CCn1c(-c2ccco2)nn(C[N@H+]2CCC[C@@H](C(C)(C)C(=O)[O-])C2)c1=S ZINC001597826350 989480378 /nfs/dbraw/zinc/48/03/78/989480378.db2.gz BWWVVLNCOCTOPY-CYBMUJFWSA-N 0 2 378.498 3.474 20 0 GGADLN CC(C)(C)OC(=O)NC[C@]12CC[C@@H]1CCC[N@@H+]2Cc1nc(C(=O)[O-])cs1 ZINC001590168954 989490826 /nfs/dbraw/zinc/49/08/26/989490826.db2.gz JOEAUJABVDCSAW-KPZWWZAWSA-N 0 2 381.498 3.111 20 0 GGADLN CC(C)(C)OC(=O)NC[C@]12CC[C@@H]1CCC[N@H+]2Cc1nc(C(=O)[O-])cs1 ZINC001590168954 989490828 /nfs/dbraw/zinc/49/08/28/989490828.db2.gz JOEAUJABVDCSAW-KPZWWZAWSA-N 0 2 381.498 3.111 20 0 GGADLN C[C@@H]1[C@@H](c2ccc(Br)cc2)OCC[N@@H+]1Cc1oncc1C(=O)[O-] ZINC001599881720 989494141 /nfs/dbraw/zinc/49/41/41/989494141.db2.gz XQMSVDLCZHIOGZ-BMIGLBTASA-N 0 2 381.226 3.097 20 0 GGADLN C[C@@H]1[C@@H](c2ccc(Br)cc2)OCC[N@H+]1Cc1oncc1C(=O)[O-] ZINC001599881720 989494145 /nfs/dbraw/zinc/49/41/45/989494145.db2.gz XQMSVDLCZHIOGZ-BMIGLBTASA-N 0 2 381.226 3.097 20 0 GGADLN CC(C)(C)OC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1nc2cc(C(=O)[O-])ccc2[nH]1 ZINC001590202091 989572545 /nfs/dbraw/zinc/57/25/45/989572545.db2.gz VFORUWLCMGFOLB-AWEZNQCLSA-N 0 2 388.468 3.140 20 0 GGADLN CC(C)(C)OC(=O)NC[C@@H]1CCCC[N@H+]1Cc1nc2cc(C(=O)[O-])ccc2[nH]1 ZINC001590202091 989572554 /nfs/dbraw/zinc/57/25/54/989572554.db2.gz VFORUWLCMGFOLB-AWEZNQCLSA-N 0 2 388.468 3.140 20 0 GGADLN CC(C)(C)OC(=O)NC[C@H]1CCCC[N@@H+]1Cc1nc2cc(C(=O)[O-])ccc2[nH]1 ZINC001590206904 989581392 /nfs/dbraw/zinc/58/13/92/989581392.db2.gz VFORUWLCMGFOLB-CQSZACIVSA-N 0 2 388.468 3.140 20 0 GGADLN CC(C)(C)OC(=O)NC[C@H]1CCCC[N@H+]1Cc1nc2cc(C(=O)[O-])ccc2[nH]1 ZINC001590206904 989581397 /nfs/dbraw/zinc/58/13/97/989581397.db2.gz VFORUWLCMGFOLB-CQSZACIVSA-N 0 2 388.468 3.140 20 0 GGADLN CC(C)(C)OC(=O)N[C@@H]1CC[N@H+](Cc2ccc(C(=O)[O-])c(Br)c2)C1 ZINC001590263387 989655849 /nfs/dbraw/zinc/65/58/49/989655849.db2.gz HGWAAYWGRONPCF-GFCCVEGCSA-N 0 2 399.285 3.246 20 0 GGADLN CC(C)(C)OC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(C(=O)[O-])c(Br)c2)C1 ZINC001590263387 989655854 /nfs/dbraw/zinc/65/58/54/989655854.db2.gz HGWAAYWGRONPCF-GFCCVEGCSA-N 0 2 399.285 3.246 20 0 GGADLN CC(C)(C)c1nnc(NC(=O)C[NH2+][C@@H](C(=O)[O-])c2cccc3ccccc32)s1 ZINC001590574601 990215892 /nfs/dbraw/zinc/21/58/92/990215892.db2.gz ICFOWBVDJZQNDD-MRXNPFEDSA-N 0 2 398.488 3.343 20 0 GGADLN CC(C)(C)n1c[nH+]cc1[C@H]1CCCN(C(=O)NCc2ccccc2CC(=O)[O-])C1 ZINC001590603232 990266453 /nfs/dbraw/zinc/26/64/53/990266453.db2.gz VEUJZWAGHKHTES-SFHVURJKSA-N 0 2 398.507 3.354 20 0 GGADLN C[NH+](C)[C@H](C(=O)Nc1nc(CCCC(=O)[O-])cs1)c1ccc(Cl)cc1 ZINC001598166155 990683057 /nfs/dbraw/zinc/68/30/57/990683057.db2.gz SQGZJSLALILOOK-HNNXBMFYSA-N 0 2 381.885 3.445 20 0 GGADLN COc1cccc([C@H]([NH2+]CC(=O)Nc2ccc(C(F)(F)F)cc2)C(=O)[O-])c1 ZINC001599686071 990989745 /nfs/dbraw/zinc/98/97/45/990989745.db2.gz BJWAYADXMKTABX-INIZCTEOSA-N 0 2 382.338 3.068 20 0 GGADLN COc1ccccc1-c1noc([C@@H](C)[NH2+]Cc2ccc(O[C@@H](C)C(=O)[O-])cc2)n1 ZINC001599696027 991149566 /nfs/dbraw/zinc/14/95/66/991149566.db2.gz NKZJSMBIIBTTSV-KGLIPLIRSA-N 0 2 397.431 3.448 20 0 GGADLN COc1ccccc1[C@@H](CNc1ccc(C(=O)[O-])c[nH+]1)NC(=O)OC(C)(C)C ZINC001599697969 991176257 /nfs/dbraw/zinc/17/62/57/991176257.db2.gz KNVKHQMNBDZBQJ-OAHLLOKOSA-N 0 2 387.436 3.466 20 0 GGADLN CN(C)c1ccc([NH+]2CCC(NC(=O)Nc3ccc(C(=O)[O-])s3)CC2)cc1 ZINC001598322241 991329648 /nfs/dbraw/zinc/32/96/48/991329648.db2.gz RQQVYMCYOXGQOP-UHFFFAOYSA-N 0 2 388.493 3.303 20 0 GGADLN COc1ccccc1C[NH+]1CCN(C(=O)Nc2cccc(CCC(=O)[O-])c2)CC1 ZINC001599711706 991382745 /nfs/dbraw/zinc/38/27/45/991382745.db2.gz KBUOPVPNYUCWEB-UHFFFAOYSA-N 0 2 397.475 3.062 20 0 GGADLN COc1ccccc1COC1CC[NH+](Cn2nc(C(=O)[O-])c(Cl)c2C)CC1 ZINC001599712683 991398885 /nfs/dbraw/zinc/39/88/85/991398885.db2.gz MABXHXLACRPEBL-UHFFFAOYSA-N 0 2 393.871 3.190 20 0 GGADLN COc1ccsc1C[NH+]1CCN([C@H](C(=O)[O-])c2ccc(Cl)cc2)CC1 ZINC001599722506 991563402 /nfs/dbraw/zinc/56/34/02/991563402.db2.gz LYYNXMNRXZQTBF-KRWDZBQOSA-N 0 2 380.897 3.354 20 0 GGADLN C[N@H+](CC(=O)Nc1ccc(C(=O)[O-])cc1)Cc1ccc(Br)c(F)c1 ZINC001598397021 991666819 /nfs/dbraw/zinc/66/68/19/991666819.db2.gz MITOXEVKSRRZPR-UHFFFAOYSA-N 0 2 395.228 3.357 20 0 GGADLN C[N@@H+](CC(=O)Nc1ccc(C(=O)[O-])cc1)Cc1ccc(Br)c(F)c1 ZINC001598397021 991666827 /nfs/dbraw/zinc/66/68/27/991666827.db2.gz MITOXEVKSRRZPR-UHFFFAOYSA-N 0 2 395.228 3.357 20 0 GGADLN C[N@H+](CC(=O)Nc1nc(CC(=O)[O-])cs1)Cc1csc2ccccc12 ZINC001598400372 991692056 /nfs/dbraw/zinc/69/20/56/991692056.db2.gz WYLIYLQULBGGCK-UHFFFAOYSA-N 0 2 375.475 3.055 20 0 GGADLN C[N@@H+](CC(=O)Nc1nc(CC(=O)[O-])cs1)Cc1csc2ccccc12 ZINC001598400372 991692058 /nfs/dbraw/zinc/69/20/58/991692058.db2.gz WYLIYLQULBGGCK-UHFFFAOYSA-N 0 2 375.475 3.055 20 0 GGADLN C[N@H+](CC(=O)Nc1sc2c(c1C(=O)[O-])CCC2)Cc1ccc(F)c(F)c1 ZINC001598403727 991699408 /nfs/dbraw/zinc/69/94/08/991699408.db2.gz FDEIEURAFDORPV-UHFFFAOYSA-N 0 2 380.416 3.284 20 0 GGADLN C[N@@H+](CC(=O)Nc1sc2c(c1C(=O)[O-])CCC2)Cc1ccc(F)c(F)c1 ZINC001598403727 991699413 /nfs/dbraw/zinc/69/94/13/991699413.db2.gz FDEIEURAFDORPV-UHFFFAOYSA-N 0 2 380.416 3.284 20 0 GGADLN CC(C)C[C@H](C(=O)N[C@@H](C(=O)[O-])c1ccc(Br)cc1)n1cc[nH+]c1 ZINC001591117449 991775526 /nfs/dbraw/zinc/77/55/26/991775526.db2.gz BCQUHPUBZDZFSG-HUUCEWRRSA-N 0 2 394.269 3.175 20 0 GGADLN CC(C)C[C@@H](C(=O)N[C@H](C(=O)[O-])c1ccc(Br)cc1)n1cc[nH+]c1 ZINC001591117447 991775637 /nfs/dbraw/zinc/77/56/37/991775637.db2.gz BCQUHPUBZDZFSG-GJZGRUSLSA-N 0 2 394.269 3.175 20 0 GGADLN CC(C)C[C@@H](C(=O)N1C[C@@H](c2ccc(F)cc2F)[C@H](C(=O)[O-])C1)n1cc[nH+]c1 ZINC001591117857 991779449 /nfs/dbraw/zinc/77/94/49/991779449.db2.gz HRQOQYSRAVBJDD-JZXOWHBKSA-N 0 2 391.418 3.075 20 0 GGADLN CC(C)C[C@@H](C(=O)N[C@@H](C(=O)[O-])c1cccc(C(F)(F)F)c1)n1cc[nH+]c1 ZINC001591118584 991784799 /nfs/dbraw/zinc/78/47/99/991784799.db2.gz VMXVZJOKZZDGBZ-LSDHHAIUSA-N 0 2 383.370 3.431 20 0 GGADLN COc1nsc(C[N@H+](C)Cc2ccc(Br)cc2F)c1C(=O)[O-] ZINC001599740724 991849536 /nfs/dbraw/zinc/84/95/36/991849536.db2.gz FAVJHENRVZKHBS-UHFFFAOYSA-N 0 2 389.246 3.384 20 0 GGADLN COc1nsc(C[N@@H+](C)Cc2ccc(Br)cc2F)c1C(=O)[O-] ZINC001599740724 991849543 /nfs/dbraw/zinc/84/95/43/991849543.db2.gz FAVJHENRVZKHBS-UHFFFAOYSA-N 0 2 389.246 3.384 20 0 GGADLN CS(=O)(=O)[C@H]1CCCC[N@@H+]([C@@H](C(=O)[O-])c2cccc(Cl)c2Cl)C1 ZINC001599744710 991913514 /nfs/dbraw/zinc/91/35/14/991913514.db2.gz CUDUQCBSARPTID-IINYFYTJSA-N 0 2 380.293 3.018 20 0 GGADLN CS(=O)(=O)[C@H]1CCCC[N@H+]([C@@H](C(=O)[O-])c2cccc(Cl)c2Cl)C1 ZINC001599744710 991913522 /nfs/dbraw/zinc/91/35/22/991913522.db2.gz CUDUQCBSARPTID-IINYFYTJSA-N 0 2 380.293 3.018 20 0 GGADLN CC(C)C[C@H](NC(=O)C[N@@H+]1CCC[C@H]1c1cccc(Br)c1)C(=O)[O-] ZINC001591168025 991942517 /nfs/dbraw/zinc/94/25/17/991942517.db2.gz REQOEEPMBIUULA-HOTGVXAUSA-N 0 2 397.313 3.202 20 0 GGADLN CC(C)C[C@H](NC(=O)C[N@H+]1CCC[C@H]1c1cccc(Br)c1)C(=O)[O-] ZINC001591168025 991942525 /nfs/dbraw/zinc/94/25/25/991942525.db2.gz REQOEEPMBIUULA-HOTGVXAUSA-N 0 2 397.313 3.202 20 0 GGADLN CC(C)C[C@@H](NC(=O)C[NH2+][C@H](C)c1ncc(C(=O)[O-])s1)c1ccccc1 ZINC001591171333 991958132 /nfs/dbraw/zinc/95/81/32/991958132.db2.gz SLQXEMISNTZMJR-UKRRQHHQSA-N 0 2 375.494 3.396 20 0 GGADLN CC(C)C[C@H](NC(=O)C[NH2+][C@H](C)c1ncc(C(=O)[O-])s1)c1ccccc1 ZINC001591171331 991958266 /nfs/dbraw/zinc/95/82/66/991958266.db2.gz SLQXEMISNTZMJR-HIFRSBDPSA-N 0 2 375.494 3.396 20 0 GGADLN CC(C)C[N@H+](CC(=O)[O-])CC(=O)N1N=C(c2ccco2)C[C@@H]1c1cccs1 ZINC001591304715 992254059 /nfs/dbraw/zinc/25/40/59/992254059.db2.gz FNGZMDHPVBBVRJ-OAHLLOKOSA-N 0 2 389.477 3.061 20 0 GGADLN CC(C)C[N@@H+](CC(=O)[O-])CC(=O)N1N=C(c2ccco2)C[C@@H]1c1cccs1 ZINC001591304715 992254064 /nfs/dbraw/zinc/25/40/64/992254064.db2.gz FNGZMDHPVBBVRJ-OAHLLOKOSA-N 0 2 389.477 3.061 20 0 GGADLN C[N@H+](Cc1ccc(C(=O)[O-])cn1)[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O ZINC001598515393 992611612 /nfs/dbraw/zinc/61/16/12/992611612.db2.gz HRKRINFSLAENEX-INIZCTEOSA-N 0 2 393.365 3.036 20 0 GGADLN C[N@@H+](Cc1ccc(C(=O)[O-])cn1)[C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O ZINC001598515393 992611614 /nfs/dbraw/zinc/61/16/14/992611614.db2.gz HRKRINFSLAENEX-INIZCTEOSA-N 0 2 393.365 3.036 20 0 GGADLN C[N@H+](Cc1nc2cc(Br)ccc2o1)Cc1ccc(C(=O)[O-])cn1 ZINC001598515620 992614081 /nfs/dbraw/zinc/61/40/81/992614081.db2.gz NWTWQWZFSWZJGV-UHFFFAOYSA-N 0 2 376.210 3.316 20 0 GGADLN C[N@@H+](Cc1nc2cc(Br)ccc2o1)Cc1ccc(C(=O)[O-])cn1 ZINC001598515620 992614085 /nfs/dbraw/zinc/61/40/85/992614085.db2.gz NWTWQWZFSWZJGV-UHFFFAOYSA-N 0 2 376.210 3.316 20 0 GGADLN C[N@H+](Cc1nnc(-c2cccc(Cl)c2)o1)Cc1ccc(OCC(=O)[O-])cc1 ZINC001598523707 992691203 /nfs/dbraw/zinc/69/12/03/992691203.db2.gz FCUJRFOVDWHDKU-UHFFFAOYSA-N 0 2 387.823 3.485 20 0 GGADLN C[N@@H+](Cc1nnc(-c2cccc(Cl)c2)o1)Cc1ccc(OCC(=O)[O-])cc1 ZINC001598523707 992691208 /nfs/dbraw/zinc/69/12/08/992691208.db2.gz FCUJRFOVDWHDKU-UHFFFAOYSA-N 0 2 387.823 3.485 20 0 GGADLN CC(C)[N@@H+]1Cc2cccc(NS(=O)(=O)c3ccc(/C=C\C(=O)[O-])cc3)c2C1 ZINC001591635891 992947757 /nfs/dbraw/zinc/94/77/57/992947757.db2.gz UNIOAXVBIIVPPN-FLIBITNWSA-N 0 2 386.473 3.309 20 0 GGADLN CC(C)[N@H+]1Cc2cccc(NS(=O)(=O)c3ccc(/C=C\C(=O)[O-])cc3)c2C1 ZINC001591635891 992947763 /nfs/dbraw/zinc/94/77/63/992947763.db2.gz UNIOAXVBIIVPPN-FLIBITNWSA-N 0 2 386.473 3.309 20 0 GGADLN C[N@@H+]1CC[C@@H](NC(=O)C23CCC(C(=O)[O-])(CC2)CC3)[C@H]1c1ccc(F)c(F)c1 ZINC001598586163 993385864 /nfs/dbraw/zinc/38/58/64/993385864.db2.gz PPTPFRIGMDZHFP-FBIZOPLVSA-N 0 2 392.446 3.251 20 0 GGADLN C[N@H+]1CC[C@@H](NC(=O)C23CCC(C(=O)[O-])(CC2)CC3)[C@H]1c1ccc(F)c(F)c1 ZINC001598586163 993385868 /nfs/dbraw/zinc/38/58/68/993385868.db2.gz PPTPFRIGMDZHFP-FBIZOPLVSA-N 0 2 392.446 3.251 20 0 GGADLN C[N@@H+]1CC[C@H](NC(=O)NCC2(C(=O)[O-])CCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001598586408 993390004 /nfs/dbraw/zinc/39/00/04/993390004.db2.gz OCZKDRFEWFBUIO-HOTGVXAUSA-N 0 2 397.878 3.169 20 0 GGADLN C[N@H+]1CC[C@H](NC(=O)NCC2(C(=O)[O-])CCCC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001598586408 993390007 /nfs/dbraw/zinc/39/00/07/993390007.db2.gz OCZKDRFEWFBUIO-HOTGVXAUSA-N 0 2 397.878 3.169 20 0 GGADLN Cn1cc(NC(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)cc1C(=O)[O-] ZINC001598587137 993400506 /nfs/dbraw/zinc/40/05/06/993400506.db2.gz SXOZGHAFJXMFJT-ZBFHGGJFSA-N 0 2 394.834 3.083 20 0 GGADLN Cn1cc(NC(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)cc1C(=O)[O-] ZINC001598587137 993400510 /nfs/dbraw/zinc/40/05/10/993400510.db2.gz SXOZGHAFJXMFJT-ZBFHGGJFSA-N 0 2 394.834 3.083 20 0 GGADLN Cn1cc(NC(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)cc1C(=O)[O-] ZINC001598587134 993400911 /nfs/dbraw/zinc/40/09/11/993400911.db2.gz SXOZGHAFJXMFJT-GDBMZVCRSA-N 0 2 394.834 3.083 20 0 GGADLN Cn1cc(NC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccc(Cl)c(F)c2)cc1C(=O)[O-] ZINC001598587134 993400914 /nfs/dbraw/zinc/40/09/14/993400914.db2.gz SXOZGHAFJXMFJT-GDBMZVCRSA-N 0 2 394.834 3.083 20 0 GGADLN COc1ccc(NC(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)c(C(=O)[O-])c1 ZINC001599594297 993729228 /nfs/dbraw/zinc/72/92/28/993729228.db2.gz BGFCDHVHTBKEFL-ZDUSSCGKSA-N 0 2 389.477 3.366 20 0 GGADLN COc1ccc(OC)c(NC(=O)C[NH2+][C@@H](C(=O)[O-])c2cccc3ccccc32)c1 ZINC001599604036 993857809 /nfs/dbraw/zinc/85/78/09/993857809.db2.gz AKHAPNIGJGKQGO-OAQYLSRUSA-N 0 2 394.427 3.211 20 0 GGADLN C[C@H]([NH2+][C@@H](C)c1ccc(-n2cncn2)cc1Cl)c1ncc(C(=O)[O-])s1 ZINC001593196721 994156632 /nfs/dbraw/zinc/15/66/32/994156632.db2.gz IKPAKRZNDXKKLO-UWVGGRQHSA-N 0 2 377.857 3.487 20 0 GGADLN C[C@@H]([NH2+][C@H](C)c1ncc(C(=O)[O-])s1)C(=O)Nc1ccc(OC(F)F)cc1 ZINC001593202685 994182093 /nfs/dbraw/zinc/18/20/93/994182093.db2.gz AJWXWMIKAGHDCV-RKDXNWHRSA-N 0 2 385.392 3.121 20 0 GGADLN C[C@H]([NH2+][C@@H](C)c1ncc(C(=O)[O-])s1)C(=O)Nc1ccc(OC(F)F)cc1 ZINC001593202684 994182427 /nfs/dbraw/zinc/18/24/27/994182427.db2.gz AJWXWMIKAGHDCV-IUCAKERBSA-N 0 2 385.392 3.121 20 0 GGADLN C[C@@H]([NH2+][C@@H](C)C(=O)Nc1cccc(N2CCCC2)c1)c1ncc(C(=O)[O-])s1 ZINC001593203685 994189091 /nfs/dbraw/zinc/18/90/91/994189091.db2.gz GIWHCDJEKYVGGG-QWHCGFSZSA-N 0 2 388.493 3.119 20 0 GGADLN C[N@@H+]1Cc2ccccc2[C@H]1CNC(=O)c1cc(Br)cc(C(=O)[O-])c1 ZINC001598632250 994189205 /nfs/dbraw/zinc/18/92/05/994189205.db2.gz SYEYUNQKIBUAAR-MRXNPFEDSA-N 0 2 389.249 3.064 20 0 GGADLN C[N@H+]1Cc2ccccc2[C@H]1CNC(=O)c1cc(Br)cc(C(=O)[O-])c1 ZINC001598632250 994189212 /nfs/dbraw/zinc/18/92/12/994189212.db2.gz SYEYUNQKIBUAAR-MRXNPFEDSA-N 0 2 389.249 3.064 20 0 GGADLN C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)c1cc(Br)cc(C(=O)[O-])c1 ZINC001598632249 994189603 /nfs/dbraw/zinc/18/96/03/994189603.db2.gz SYEYUNQKIBUAAR-INIZCTEOSA-N 0 2 389.249 3.064 20 0 GGADLN C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)c1cc(Br)cc(C(=O)[O-])c1 ZINC001598632249 994189609 /nfs/dbraw/zinc/18/96/09/994189609.db2.gz SYEYUNQKIBUAAR-INIZCTEOSA-N 0 2 389.249 3.064 20 0 GGADLN C[C@@H]([NH2+][C@H](C)c1ncc(C(=O)[O-])s1)C(=O)N1CCSc2ccccc21 ZINC001593203691 994189767 /nfs/dbraw/zinc/18/97/67/994189767.db2.gz GLNGZMDKAZPCML-GHMZBOCLSA-N 0 2 377.491 3.019 20 0 GGADLN C[C@@H]([NH2+][C@@H](C)C(=O)N[C@@H](C)c1ccc(Cl)cc1)c1ncc(C(=O)[O-])s1 ZINC001593203796 994190543 /nfs/dbraw/zinc/19/05/43/994190543.db2.gz HVOWSMDHHCHFNC-GARJFASQSA-N 0 2 381.885 3.411 20 0 GGADLN C[C@H]([NH2+][C@@H](C[C@@H]1CCCO1)C(=O)[O-])c1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC001593204019 994194735 /nfs/dbraw/zinc/19/47/35/994194735.db2.gz LDLLAVGTDZKSHH-BPNCWPANSA-N 0 2 399.369 3.428 20 0 GGADLN C[C@@H]([NH2+][C@H](C)c1ncc(C(=O)[O-])s1)C(=O)N(C)Cc1c(F)cccc1Cl ZINC001593204153 994196320 /nfs/dbraw/zinc/19/63/20/994196320.db2.gz NAIVKEQKPUFHEO-NXEZZACHSA-N 0 2 399.875 3.332 20 0 GGADLN C[C@@H]([NH2+][C@@H](C)c1ncc(C(=O)[O-])s1)C(=O)N(C)Cc1c(F)cccc1Cl ZINC001593204155 994196897 /nfs/dbraw/zinc/19/68/97/994196897.db2.gz NAIVKEQKPUFHEO-VHSXEESVSA-N 0 2 399.875 3.332 20 0 GGADLN C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(N2CCCC2)cc1)c1ncc(C(=O)[O-])s1 ZINC001593204117 994196909 /nfs/dbraw/zinc/19/69/09/994196909.db2.gz MHPFOJRMTGPQBX-QWHCGFSZSA-N 0 2 388.493 3.119 20 0 GGADLN C[C@@H]([NH2+][C@H](C)c1ncc(-c2ccccc2)o1)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC001593204311 994200423 /nfs/dbraw/zinc/20/04/23/994200423.db2.gz PMRGGMUGJIJIGY-HUUCEWRRSA-N 0 2 393.443 3.395 20 0 GGADLN C[C@@H]([NH2+][C@H](CO)c1ccc(Br)c(F)c1)c1ncc(C(=O)[O-])s1 ZINC001593210401 994248644 /nfs/dbraw/zinc/24/86/44/994248644.db2.gz QOFQIXMWLHNFFI-RDDDGLTNSA-N 0 2 389.246 3.127 20 0 GGADLN C[C@H]([NH2+][C@@H](c1cnn(C)c1)c1ccc(F)cc1)c1ccccc1OCC(=O)[O-] ZINC001593210804 994253948 /nfs/dbraw/zinc/25/39/48/994253948.db2.gz SLSQLOWXUFYCPT-LHSJRXKWSA-N 0 2 383.423 3.463 20 0 GGADLN C[C@H]([NH2+][C@@H](c1ccco1)c1ccccc1)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC001593211200 994262270 /nfs/dbraw/zinc/26/22/70/994262270.db2.gz WWVINEFNZMEBIU-MGPUTAFESA-N 0 2 378.428 3.362 20 0 GGADLN C[C@H]([NH2+][C@H](c1ccco1)c1ccccc1)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC001593211204 994262762 /nfs/dbraw/zinc/26/27/62/994262762.db2.gz WWVINEFNZMEBIU-YWZLYKJASA-N 0 2 378.428 3.362 20 0 GGADLN COc1cccc(-c2csc(C[NH2+][C@H](Cc3cncs3)C(=O)[O-])n2)c1 ZINC001599639980 994343996 /nfs/dbraw/zinc/34/39/96/994343996.db2.gz FTWOJRCHFPKQPU-CQSZACIVSA-N 0 2 375.475 3.061 20 0 GGADLN C[C@@H]([NH2+]CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-])c1c(F)cccc1Cl ZINC001593230146 994358218 /nfs/dbraw/zinc/35/82/18/994358218.db2.gz GOUCTPBRQZHCOQ-SJKOYZFVSA-N 0 2 390.842 3.168 20 0 GGADLN C[C@H]([NH2+]CC(=O)N(C)[C@@H](C)c1ccc(Cl)cc1)c1ncc(C(=O)[O-])s1 ZINC001593231268 994373079 /nfs/dbraw/zinc/37/30/79/994373079.db2.gz OLAYBDJTRGFKSF-QWRGUYRKSA-N 0 2 381.885 3.365 20 0 GGADLN C[C@@]([NH2+]CC(=O)NCC1(c2ccc(F)cc2)CCCC1)(C(=O)[O-])c1ccccc1 ZINC001593233040 994390092 /nfs/dbraw/zinc/39/00/92/994390092.db2.gz ZCHXBDOXKYDMIS-QFIPXVFZSA-N 0 2 398.478 3.343 20 0 GGADLN C[C@@]([NH2+]CC(=O)Nc1ccc(N2CCCCC2)cc1)(C(=O)[O-])c1ccccc1 ZINC001593236818 994409485 /nfs/dbraw/zinc/40/94/85/994409485.db2.gz KAVCIZYTUVFCHJ-QFIPXVFZSA-N 0 2 381.476 3.205 20 0 GGADLN COc1cccc([C@](C)(CC(=O)[O-])[NH2+]Cc2nc(-c3ccc(F)cc3)no2)c1 ZINC001599654901 994562120 /nfs/dbraw/zinc/56/21/20/994562120.db2.gz BSFVIHHMNFAJBO-FQEVSTJZSA-N 0 2 385.395 3.364 20 0 GGADLN COc1cccc([C@H](C)N2CC[NH+](Cc3ccccc3O[C@@H](C)C(=O)[O-])CC2)c1 ZINC001599655424 994571330 /nfs/dbraw/zinc/57/13/30/994571330.db2.gz QMEZSDWKWWUHTG-ROUUACIJSA-N 0 2 398.503 3.426 20 0 GGADLN C[C@H]([NH2+]CCOc1ccc(/C=C/C(=O)[O-])cc1)c1noc(Cc2ccccc2)n1 ZINC001593271879 994606932 /nfs/dbraw/zinc/60/69/32/994606932.db2.gz MRMUXUQNCFVDSB-YHVDPYDOSA-N 0 2 393.443 3.488 20 0 GGADLN C[C@@H]([NH2+]Cc1ccc(C(=O)[O-])c(Br)c1)c1nc(C(F)(F)F)n[nH]1 ZINC001593293889 994686754 /nfs/dbraw/zinc/68/67/54/994686754.db2.gz YFIOIMIMRDQYKQ-ZCFIWIBFSA-N 0 2 393.163 3.135 20 0 GGADLN C[C@H]([NH2+]Cc1cccc(C(=O)NCc2ccco2)c1)c1ncc(C(=O)[O-])s1 ZINC001593305120 994758740 /nfs/dbraw/zinc/75/87/40/994758740.db2.gz WEIXFOMBUTWSPT-LBPRGKRZSA-N 0 2 385.445 3.215 20 0 GGADLN CNc1cc(CNC(=O)Nc2ccc(OCC(=O)[O-])c3ccccc23)cc[nH+]1 ZINC001598676118 994846868 /nfs/dbraw/zinc/84/68/68/994846868.db2.gz NQNFOKLWWDQZAM-UHFFFAOYSA-N 0 2 380.404 3.062 20 0 GGADLN CNc1cc(CNC(=O)Nc2cc(Br)c(F)c(C(=O)[O-])c2)cc[nH+]1 ZINC001598676331 994850602 /nfs/dbraw/zinc/85/06/02/994850602.db2.gz QACRTIRETUDHNT-UHFFFAOYSA-N 0 2 397.204 3.045 20 0 GGADLN COc1cccc(Cn2c(NC[C@@H]3[C@@H](C(=O)[O-])C3(F)F)[nH+]c3ccccc32)c1 ZINC001599677202 994916751 /nfs/dbraw/zinc/91/67/51/994916751.db2.gz ONSXYEPUXFJZMR-PBHICJAKSA-N 0 2 387.386 3.471 20 0 GGADLN COc1cccc(OC)c1OC1CC[NH+]([C@@H](C)c2ncc(C(=O)[O-])s2)CC1 ZINC001599681814 994994241 /nfs/dbraw/zinc/99/42/41/994994241.db2.gz HDSPMNWPVZWQSL-LBPRGKRZSA-N 0 2 392.477 3.463 20 0 GGADLN COC(=O)[C@H]1C[C@@H](C(=O)[O-])CC[N@@H+]1Cc1ccc(Oc2cccc(F)c2)cc1 ZINC001598758661 995751354 /nfs/dbraw/zinc/75/13/54/995751354.db2.gz LOQJNIWZYPQHIR-HNAYVOBHSA-N 0 2 387.407 3.456 20 0 GGADLN COC(=O)[C@H]1C[C@@H](C(=O)[O-])CC[N@H+]1Cc1ccc(Oc2cccc(F)c2)cc1 ZINC001598758661 995751362 /nfs/dbraw/zinc/75/13/62/995751362.db2.gz LOQJNIWZYPQHIR-HNAYVOBHSA-N 0 2 387.407 3.456 20 0 GGADLN COC(=O)[C@@H]1C[C@@H](C(=O)[O-])CC[N@@H+]1Cc1ccc(F)c(-c2cccs2)c1 ZINC001598760949 995776238 /nfs/dbraw/zinc/77/62/38/995776238.db2.gz QOJKKMONODRBMP-BBRMVZONSA-N 0 2 377.437 3.392 20 0 GGADLN COC(=O)[C@@H]1C[C@@H](C(=O)[O-])CC[N@H+]1Cc1ccc(F)c(-c2cccs2)c1 ZINC001598760949 995776247 /nfs/dbraw/zinc/77/62/47/995776247.db2.gz QOJKKMONODRBMP-BBRMVZONSA-N 0 2 377.437 3.392 20 0 GGADLN COC(=O)[C@@H]1C[C@@H](C(=O)[O-])CC[N@@H+]1Cc1ccc(-c2ccc(Cl)cc2)o1 ZINC001598761373 995780915 /nfs/dbraw/zinc/78/09/15/995780915.db2.gz RNYOKFHSZWCHDP-BBRMVZONSA-N 0 2 377.824 3.438 20 0 GGADLN COC(=O)[C@@H]1C[C@@H](C(=O)[O-])CC[N@H+]1Cc1ccc(-c2ccc(Cl)cc2)o1 ZINC001598761373 995780923 /nfs/dbraw/zinc/78/09/23/995780923.db2.gz RNYOKFHSZWCHDP-BBRMVZONSA-N 0 2 377.824 3.438 20 0 GGADLN COC(=O)[C@H]1C[C@@H](C(=O)[O-])CC[N@@H+]1Cc1ccc(SC(F)(F)F)cc1 ZINC001598762108 995787926 /nfs/dbraw/zinc/78/79/26/995787926.db2.gz UEDYTEFZIGSWJH-WCQYABFASA-N 0 2 377.384 3.137 20 0 GGADLN COC(=O)[C@H]1C[C@@H](C(=O)[O-])CC[N@H+]1Cc1ccc(SC(F)(F)F)cc1 ZINC001598762108 995787929 /nfs/dbraw/zinc/78/79/29/995787929.db2.gz UEDYTEFZIGSWJH-WCQYABFASA-N 0 2 377.384 3.137 20 0 GGADLN C[C@@H]([NH2+]Cc1ccc(O[C@@H](C)C(=O)[O-])cc1)c1nc(Cc2ccccc2)no1 ZINC001593617604 995852707 /nfs/dbraw/zinc/85/27/07/995852707.db2.gz KYIOWAGZSPOPKE-CABCVRRESA-N 0 2 381.432 3.363 20 0 GGADLN C[C@@H]([NH2+]Cc1ccc(O[C@H](C)C(=O)[O-])cc1)c1nc(Cc2ccccc2)no1 ZINC001593617606 995853075 /nfs/dbraw/zinc/85/30/75/995853075.db2.gz KYIOWAGZSPOPKE-HUUCEWRRSA-N 0 2 381.432 3.363 20 0 GGADLN COC(=O)[C@@H]1CC[C@H](C(=O)[O-])C[N@@H+]1Cc1ccccc1OCc1ccccc1 ZINC001598776268 995932509 /nfs/dbraw/zinc/93/25/09/995932509.db2.gz JILCVNUUYATUKA-OALUTQOASA-N 0 2 383.444 3.104 20 0 GGADLN COC(=O)[C@@H]1CC[C@H](C(=O)[O-])C[N@H+]1Cc1ccccc1OCc1ccccc1 ZINC001598776268 995932517 /nfs/dbraw/zinc/93/25/17/995932517.db2.gz JILCVNUUYATUKA-OALUTQOASA-N 0 2 383.444 3.104 20 0 GGADLN C[C@@H](Oc1ccccc1C[N@@H+]1CCc2c(ncn2-c2ccccc2)C1)C(=O)[O-] ZINC001593645483 995974818 /nfs/dbraw/zinc/97/48/18/995974818.db2.gz KKUFAFIGYWIRLI-MRXNPFEDSA-N 0 2 377.444 3.283 20 0 GGADLN C[C@@H](Oc1ccccc1C[N@H+]1CCc2c(ncn2-c2ccccc2)C1)C(=O)[O-] ZINC001593645483 995974822 /nfs/dbraw/zinc/97/48/22/995974822.db2.gz KKUFAFIGYWIRLI-MRXNPFEDSA-N 0 2 377.444 3.283 20 0 GGADLN C[C@H](c1cc2ccccc2o1)N(C)C(=O)C[NH2+]C(C)(C)c1nocc1C(=O)[O-] ZINC001593685685 996117570 /nfs/dbraw/zinc/11/75/70/996117570.db2.gz ALOWLCHYCFDPOG-GFCCVEGCSA-N 0 2 385.420 3.163 20 0 GGADLN C[C@H](c1ccc(F)cc1)N(C)C(=O)C[NH2+][C@@](C)(C(=O)[O-])c1ccc(F)cc1 ZINC001593694581 996151048 /nfs/dbraw/zinc/15/10/48/996151048.db2.gz ZCYRJCUVRFUWRG-ZUOKHONESA-N 0 2 376.403 3.074 20 0 GGADLN C[C@H](c1ccc(F)cc1)N(C)C(=O)C[NH2+][C@](C)(C(=O)[O-])c1ccc(F)cc1 ZINC001593694580 996151161 /nfs/dbraw/zinc/15/11/61/996151161.db2.gz ZCYRJCUVRFUWRG-XCLFUZPHSA-N 0 2 376.403 3.074 20 0 GGADLN COC(=O)[C@H]1CC[N@H+](Cc2ccc(-c3cccc(F)c3F)o2)[C@H](C(=O)[O-])C1 ZINC001598802692 996153745 /nfs/dbraw/zinc/15/37/45/996153745.db2.gz ZEQINOPAROWIHQ-NHYWBVRUSA-N 0 2 379.359 3.063 20 0 GGADLN COC(=O)[C@H]1CC[N@@H+](Cc2ccc(-c3cccc(F)c3F)o2)[C@H](C(=O)[O-])C1 ZINC001598802692 996153747 /nfs/dbraw/zinc/15/37/47/996153747.db2.gz ZEQINOPAROWIHQ-NHYWBVRUSA-N 0 2 379.359 3.063 20 0 GGADLN COC(=O)[C@H]1CC[N@H+](Cc2cnc(-c3ccc(Cl)cc3)s2)[C@@H](C(=O)[O-])C1 ZINC001598803476 996161950 /nfs/dbraw/zinc/16/19/50/996161950.db2.gz LXVBSUOCOHIWGK-SWLSCSKDSA-N 0 2 394.880 3.302 20 0 GGADLN COC(=O)[C@H]1CC[N@@H+](Cc2cnc(-c3ccc(Cl)cc3)s2)[C@@H](C(=O)[O-])C1 ZINC001598803476 996161953 /nfs/dbraw/zinc/16/19/53/996161953.db2.gz LXVBSUOCOHIWGK-SWLSCSKDSA-N 0 2 394.880 3.302 20 0 GGADLN COC(=O)[C@H]1CC[N@H+](Cc2cnc(-c3ccc(Cl)cc3)s2)[C@H](C(=O)[O-])C1 ZINC001598803477 996162000 /nfs/dbraw/zinc/16/20/00/996162000.db2.gz LXVBSUOCOHIWGK-WFASDCNBSA-N 0 2 394.880 3.302 20 0 GGADLN COC(=O)[C@H]1CC[N@@H+](Cc2cnc(-c3ccc(Cl)cc3)s2)[C@H](C(=O)[O-])C1 ZINC001598803477 996162002 /nfs/dbraw/zinc/16/20/02/996162002.db2.gz LXVBSUOCOHIWGK-WFASDCNBSA-N 0 2 394.880 3.302 20 0 GGADLN C[C@@H](c1cccc(NC(=O)NCc2ccc(CC(=O)[O-])cc2)c1)[NH+]1CCOCC1 ZINC001593703460 996180663 /nfs/dbraw/zinc/18/06/63/996180663.db2.gz QSUMWNJJEAVIME-INIZCTEOSA-N 0 2 397.475 3.029 20 0 GGADLN C[C@H](c1cccc(NC(=O)C23CCC(C(=O)[O-])(CC2)CC3)c1)[NH+]1CCOCC1 ZINC001593703426 996180746 /nfs/dbraw/zinc/18/07/46/996180746.db2.gz PSHOUSBCWNJSCD-NYYVNYEXSA-N 0 2 386.492 3.444 20 0 GGADLN C[C@@H](c1cccnc1)[NH+]1CCN(Cc2ccnc3c(C(=O)[O-])cccc23)CC1 ZINC001593719524 996243715 /nfs/dbraw/zinc/24/37/15/996243715.db2.gz 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/nfs/dbraw/zinc/78/64/24/565786424.db2.gz GIIIVIWLNCOHJL-UHFFFAOYSA-N 0 2 377.315 3.432 20 0 GGADLN C[C@@H]1C[C@H](C)N(C(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2O)C1 ZINC000331839444 565786835 /nfs/dbraw/zinc/78/68/35/565786835.db2.gz LUCXVGLAPPZVRG-NEPJUHHUSA-N 0 2 380.491 3.125 20 0 GGADLN CCCCCc1nnc(NS(=O)(=O)c2ccc(F)c(NC(C)=O)c2)s1 ZINC000176591575 565787788 /nfs/dbraw/zinc/78/77/88/565787788.db2.gz AJHWIAWTONOGQX-UHFFFAOYSA-N 0 2 386.474 3.169 20 0 GGADLN O=S(=O)(Nc1nnc(Cc2ccccc2F)s1)c1cccc(F)c1F ZINC000176603730 565788020 /nfs/dbraw/zinc/78/80/20/565788020.db2.gz KLFSFZCEWFHSMV-UHFFFAOYSA-N 0 2 385.392 3.347 20 0 GGADLN O=S(=O)(Nc1nnc(Cc2cccc(F)c2)s1)c1ccc(F)c(F)c1 ZINC000176601924 565788561 /nfs/dbraw/zinc/78/85/61/565788561.db2.gz XDXXXTVCXBJHAR-UHFFFAOYSA-N 0 2 385.392 3.347 20 0 GGADLN COc1ccc(Br)c(S(=O)(=O)Nc2cccc3n[nH]cc32)c1 ZINC000176694068 565794734 /nfs/dbraw/zinc/79/47/34/565794734.db2.gz FXWCWGDYSTUDEE-UHFFFAOYSA-N 0 2 382.239 3.135 20 0 GGADLN COCc1nnc([C@H]2CCCCN2C(=O)c2ccccc2Br)[nH]1 ZINC000331942579 565795167 /nfs/dbraw/zinc/79/51/67/565795167.db2.gz RQCKTUSBRIQTTH-CYBMUJFWSA-N 0 2 379.258 3.081 20 0 GGADLN O=C(Nc1nc(-c2ccccc2Br)n[nH]1)c1ccnc(C2CC2)n1 ZINC000601631434 565795285 /nfs/dbraw/zinc/79/52/85/565795285.db2.gz VAOHHMJOQZGFSY-UHFFFAOYSA-N 0 2 385.225 3.154 20 0 GGADLN Cc1c(Br)cccc1S(=O)(=O)Nc1cnn(CC(F)F)c1 ZINC000176709651 565796094 /nfs/dbraw/zinc/79/60/94/565796094.db2.gz WKSHBNHRMBENPA-UHFFFAOYSA-N 0 2 380.214 3.020 20 0 GGADLN C[C@@H]1C[C@@H](NC(=O)Cc2ccc(NS(=O)(=O)c3cccs3)cc2)CS1 ZINC000412570352 565796409 /nfs/dbraw/zinc/79/64/09/565796409.db2.gz JGXAKZPXRPLKDC-IUODEOHRSA-N 0 2 396.559 3.102 20 0 GGADLN C[C@@H]1C[C@@H](NC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)CS1 ZINC000412579122 565797140 /nfs/dbraw/zinc/79/71/40/565797140.db2.gz RWZDXILDTAZHHE-BXUZGUMPSA-N 0 2 382.532 3.173 20 0 GGADLN Cc1c(C(=O)Nc2ccc3nn[nH]c3c2)cnn1-c1ccc(Br)cc1 ZINC000176716495 565797349 /nfs/dbraw/zinc/79/73/49/565797349.db2.gz QAOAGVOUTAHIOA-UHFFFAOYSA-N 0 2 397.236 3.467 20 0 GGADLN COc1ncc(C)cc1NS(=O)(=O)c1ccc(F)cc1Br ZINC000176717611 565797777 /nfs/dbraw/zinc/79/77/77/565797777.db2.gz GAYMSJZDLDPILU-UHFFFAOYSA-N 0 2 375.219 3.101 20 0 GGADLN Cc1cc(Cl)nc(CNC(=O)N(C)Cc2nc(=O)c3sccc3[nH]2)c1 ZINC000282810885 565797988 /nfs/dbraw/zinc/79/79/88/565797988.db2.gz KWHCMBLYUHEXEU-UHFFFAOYSA-N 0 2 377.857 3.095 20 0 GGADLN C[C@@H]1C[C@@H](NC(=O)c2cccc(NS(=O)(=O)c3cccs3)c2)CS1 ZINC000412608317 565799208 /nfs/dbraw/zinc/79/92/08/565799208.db2.gz RSQPIAUOJWZJRN-BXUZGUMPSA-N 0 2 382.532 3.173 20 0 GGADLN COC(=O)c1scc(C)c1S(=O)(=O)Nc1cnn(C2CCCC2)c1C ZINC000194220107 565802602 /nfs/dbraw/zinc/80/26/02/565802602.db2.gz IXHVMHPDRAIRLT-UHFFFAOYSA-N 0 2 383.495 3.264 20 0 GGADLN CC[C@@H](C)n1ncc(NS(=O)(=O)c2cc3c(cc2Cl)OCCO3)c1C ZINC000332157555 565811002 /nfs/dbraw/zinc/81/10/02/565811002.db2.gz MYKFMFHVOVZOLE-SNVBAGLBSA-N 0 2 385.873 3.388 20 0 GGADLN CC1(C)CCN(C(=O)c2cc(Br)cc(Cl)c2O)CC[S@]1=O ZINC000332211918 565817238 /nfs/dbraw/zinc/81/72/38/565817238.db2.gz GZBWAXOYDGUYHQ-OAQYLSRUSA-N 0 2 394.718 3.181 20 0 GGADLN CCSCCCNC(=O)Cc1ccc(NS(=O)(=O)c2cccs2)cc1 ZINC000283430060 565818214 /nfs/dbraw/zinc/81/82/14/565818214.db2.gz WXFVFBCHIZQWRQ-UHFFFAOYSA-N 0 2 398.575 3.351 20 0 GGADLN COC(=O)[C@@]1(C)CCCN(C(=O)c2cc(Br)cc(Cl)c2O)C1 ZINC000412926224 565821428 /nfs/dbraw/zinc/82/14/28/565821428.db2.gz DBJBECIHEVPRRH-HNNXBMFYSA-N 0 2 390.661 3.223 20 0 GGADLN COC(=O)[C@]1(C)CCCN(C(=O)c2cc(Cl)cc(Br)c2O)C1 ZINC000412943685 565822387 /nfs/dbraw/zinc/82/23/87/565822387.db2.gz ZDSFQEIBRYDZAG-OAHLLOKOSA-N 0 2 390.661 3.223 20 0 GGADLN CCOC(=O)c1sc(NS(=O)(=O)Cc2c(F)cccc2F)cc1C ZINC000194587617 565824260 /nfs/dbraw/zinc/82/42/60/565824260.db2.gz KVAJKLGPUGPFMY-UHFFFAOYSA-N 0 2 375.418 3.453 20 0 GGADLN NC(=O)Cc1ccc(NC(=O)c2cc(Cl)cc(Br)c2O)cc1 ZINC000177047895 565825538 /nfs/dbraw/zinc/82/55/38/565825538.db2.gz XVAMCFUQZKOHQR-UHFFFAOYSA-N 0 2 383.629 3.088 20 0 GGADLN Cc1nc(C)c(S(=O)(=O)Nc2nnc(Cc3cccc(F)c3)s2)s1 ZINC000177094028 565827454 /nfs/dbraw/zinc/82/74/54/565827454.db2.gz FAXIATFYYVQPCN-UHFFFAOYSA-N 0 2 384.483 3.142 20 0 GGADLN O=S(=O)(Nc1cnc2ccccc2n1)c1ccc(F)cc1Br ZINC000177090689 565827589 /nfs/dbraw/zinc/82/75/89/565827589.db2.gz KPGLMMQOVDHQPP-UHFFFAOYSA-N 0 2 382.214 3.332 20 0 GGADLN C[C@@H]1CN(C(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2)CCS1 ZINC000332310166 565827795 /nfs/dbraw/zinc/82/77/95/565827795.db2.gz SPOTUJLGJQVEQV-GFCCVEGCSA-N 0 2 382.532 3.126 20 0 GGADLN CS(=O)(=O)c1ccccc1NS(=O)(=O)Cc1cc(Cl)cc(Cl)c1 ZINC000194642466 565828109 /nfs/dbraw/zinc/82/81/09/565828109.db2.gz LMIVITKIZZJEGX-UHFFFAOYSA-N 0 2 394.301 3.339 20 0 GGADLN Cc1c(Br)cccc1NS(=O)(=O)c1cnn(CC(F)F)c1 ZINC000283777193 565829100 /nfs/dbraw/zinc/82/91/00/565829100.db2.gz BXSCFDQUXPALPF-UHFFFAOYSA-N 0 2 380.214 3.020 20 0 GGADLN O=C(NCc1cn2c([nH+]1)CCCC2)c1cc(Br)cc(Cl)c1[O-] ZINC000332325728 565829127 /nfs/dbraw/zinc/82/91/27/565829127.db2.gz KHDJZCZVGNQYAS-UHFFFAOYSA-N 0 2 384.661 3.271 20 0 GGADLN O=S(=O)(Nc1ccccc1CCC(F)(F)F)c1cnn(CC(F)F)c1 ZINC000283773320 565829474 /nfs/dbraw/zinc/82/94/74/565829474.db2.gz BIRYBAQDGHFFPN-UHFFFAOYSA-N 0 2 383.342 3.444 20 0 GGADLN C[C@@H]1CCN(C(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2O)[C@H]1C ZINC000177124071 565829913 /nfs/dbraw/zinc/82/99/13/565829913.db2.gz BFVQZAJULHBXPQ-NEPJUHHUSA-N 0 2 380.491 3.125 20 0 GGADLN COc1c(C(=O)N(C)C)cc(Cl)cc1S(=O)(=O)Nc1cscc1C ZINC000283799945 565830551 /nfs/dbraw/zinc/83/05/51/565830551.db2.gz GUZPLAZWBWDHDG-UHFFFAOYSA-N 0 2 388.898 3.221 20 0 GGADLN CCOC(=O)[C@H](C(=O)CSc1ccc2n[nH]cc2c1)c1nc(C)cs1 ZINC000413026207 565830582 /nfs/dbraw/zinc/83/05/82/565830582.db2.gz TYYXJXAEYUEMCV-OAHLLOKOSA-N 0 2 375.475 3.336 20 0 GGADLN Cc1cc(NC(=O)CNC(=O)c2cc(F)c(O)c(F)c2)ccc1Br ZINC000177132075 565831167 /nfs/dbraw/zinc/83/11/67/565831167.db2.gz IHUDFWRWXNINLA-UHFFFAOYSA-N 0 2 399.191 3.110 20 0 GGADLN COc1ccc(S(=O)(=O)Nc2ncc(Cc3cccc(F)c3)s2)cn1 ZINC000194788757 565837460 /nfs/dbraw/zinc/83/74/60/565837460.db2.gz 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/nfs/dbraw/zinc/84/11/59/565841159.db2.gz VNASGUBZGXLDDI-CYBMUJFWSA-N 0 2 377.809 3.200 20 0 GGADLN CSc1ccc(S(=O)(=O)Nc2nnc(CCc3ccccc3)o2)cc1 ZINC000194845502 565842429 /nfs/dbraw/zinc/84/24/29/565842429.db2.gz ITRRLLWYIVEGTO-UHFFFAOYSA-N 0 2 375.475 3.378 20 0 GGADLN COc1ccc(S(=O)(=O)Nc2nnc(-c3ccc(C)s3)o2)c(C)c1F ZINC000194841418 565842485 /nfs/dbraw/zinc/84/24/85/565842485.db2.gz RMWADLYJZOPKCF-UHFFFAOYSA-N 0 2 383.426 3.363 20 0 GGADLN Cc1cc(F)c(Br)cc1S(=O)(=O)Nc1nnc(CC(C)C)o1 ZINC000194857859 565843437 /nfs/dbraw/zinc/84/34/37/565843437.db2.gz KEURHQUONWFNNP-UHFFFAOYSA-N 0 2 392.250 3.279 20 0 GGADLN CC(C)Cc1nnc(NS(=O)(=O)c2ccc(OC(F)F)c(Cl)c2)o1 ZINC000194857186 565843335 /nfs/dbraw/zinc/84/33/35/565843335.db2.gz HGUKKLUCPGZSMS-UHFFFAOYSA-N 0 2 381.788 3.324 20 0 GGADLN CC(C)CCc1nnc(NS(=O)(=O)c2cc(Br)ccc2F)o1 ZINC000194876081 565844307 /nfs/dbraw/zinc/84/43/07/565844307.db2.gz OPJNTXJKBPYJKB-UHFFFAOYSA-N 0 2 392.250 3.361 20 0 GGADLN O=S(=O)(Nc1nnc([C@H]2CCCO2)o1)c1cc(Cl)cc(C(F)(F)F)c1 ZINC000194889085 565845532 /nfs/dbraw/zinc/84/55/32/565845532.db2.gz GKLHSCRKMSTAHN-SNVBAGLBSA-N 0 2 397.762 3.394 20 0 GGADLN O=S(=O)(Nc1nnc([C@H]2CCCO2)o1)c1ccc(Cl)cc1C(F)(F)F ZINC000194890662 565845649 /nfs/dbraw/zinc/84/56/49/565845649.db2.gz ZKAJVVOUVCBJDL-SECBINFHSA-N 0 2 397.762 3.394 20 0 GGADLN CN(C)c1cccc(-c2nnc(NS(=O)(=O)c3ccc(Cl)cc3)o2)c1 ZINC000194907045 565847202 /nfs/dbraw/zinc/84/72/02/565847202.db2.gz MLVVFIHHFLQKAZ-UHFFFAOYSA-N 0 2 378.841 3.257 20 0 GGADLN Cc1nc(C)c(S(=O)(=O)Nc2nnc(CCCc3cccs3)o2)s1 ZINC000194925658 565847730 /nfs/dbraw/zinc/84/77/30/565847730.db2.gz GKTCDNRLULXUNK-UHFFFAOYSA-N 0 2 384.508 3.181 20 0 GGADLN COc1ccsc1S(=O)(=O)Nc1nnc(CCCc2cccs2)o1 ZINC000194928722 565848623 /nfs/dbraw/zinc/84/86/23/565848623.db2.gz UWLFDPUSYFLONK-UHFFFAOYSA-N 0 2 385.492 3.177 20 0 GGADLN O=S(=O)(Nc1nnc(CCOc2ccccc2)o1)c1cccc(Cl)c1 ZINC000194952856 565849901 /nfs/dbraw/zinc/84/99/01/565849901.db2.gz 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O=S(=O)(Nc1nc2c(cc(F)c(F)c2F)s1)c1cccc2c1OCO2 ZINC000509219501 566279603 /nfs/dbraw/zinc/27/96/03/566279603.db2.gz MCPFCTHJLXESOA-UHFFFAOYSA-N 0 2 388.348 3.243 20 0 GGADLN COc1c(C)cc(C)cc1S(=O)(=O)Nc1nnc(Cc2ccsc2)o1 ZINC000509237181 566282168 /nfs/dbraw/zinc/28/21/68/566282168.db2.gz GCKXYRQCPHXAGM-UHFFFAOYSA-N 0 2 379.463 3.148 20 0 GGADLN O=S(=O)(Nc1ccnn1C[C@@H]1CCOC1)c1ccc(Cl)c(F)c1Cl ZINC000556303806 566283092 /nfs/dbraw/zinc/28/30/92/566283092.db2.gz LHRKZNUCLPLTCH-VIFPVBQESA-N 0 2 394.255 3.166 20 0 GGADLN O=S(=O)(Nc1nnc(Cc2ccccc2F)o1)c1cc(Cl)ccc1F ZINC000556303209 566283108 /nfs/dbraw/zinc/28/31/08/566283108.db2.gz KKHWQAJQSRWVLH-UHFFFAOYSA-N 0 2 385.779 3.393 20 0 GGADLN COC(=O)c1cc(F)cc(S(=O)(=O)Nc2sc(C)nc2CC(C)C)c1 ZINC000556316579 566283765 /nfs/dbraw/zinc/28/37/65/566283765.db2.gz VIVSDRLJPQSPAO-UHFFFAOYSA-N 0 2 386.470 3.377 20 0 GGADLN COC(=O)c1ccnc(NS(=O)(=O)c2ccc(Cl)c(F)c2Cl)c1 ZINC000556303165 566283930 /nfs/dbraw/zinc/28/39/30/566283930.db2.gz DMJATTIGLOOJPA-UHFFFAOYSA-N 0 2 379.196 3.115 20 0 GGADLN Cc1ccc(NC(=O)[C@H](C)S(=O)(=O)c2nc3ccccc3[nH]2)c(Cl)c1 ZINC000575795429 566284820 /nfs/dbraw/zinc/28/48/20/566284820.db2.gz KHJWMDLQSOXZMU-NSHDSACASA-N 0 2 377.853 3.326 20 0 GGADLN COCc1nc(NS(=O)(=O)c2ccc(C(C)C)cc2)sc1C(=O)OC ZINC000556320393 566285829 /nfs/dbraw/zinc/28/58/29/566285829.db2.gz ZJZMBMGUVIOHGW-UHFFFAOYSA-N 0 2 384.479 3.000 20 0 GGADLN COC(=O)c1cccc(Cl)c1S(=O)(=O)Nc1cc2n[nH]cc2cc1C ZINC000556347288 566286519 /nfs/dbraw/zinc/28/65/19/566286519.db2.gz WJPLFYFVKMDCNJ-UHFFFAOYSA-N 0 2 379.825 3.112 20 0 GGADLN CCNC(=O)c1ccc(NS(=O)(=O)c2c(Cl)ccc(F)c2F)c(C)c1 ZINC000556346075 566287499 /nfs/dbraw/zinc/28/74/99/566287499.db2.gz GNCKWCHKNKKGJL-UHFFFAOYSA-N 0 2 388.823 3.477 20 0 GGADLN COc1c(NS(=O)(=O)c2ccc(C)cc2Cl)cc(Cl)cc1C(N)=O ZINC000556348936 566289206 /nfs/dbraw/zinc/28/92/06/566289206.db2.gz BCYAHIGSJMIBAA-UHFFFAOYSA-N 0 2 389.260 3.210 20 0 GGADLN COc1cccc(-c2nc(=NC(=O)COc3ccsc3Cl)s[nH]2)c1 ZINC000556358495 566290423 /nfs/dbraw/zinc/29/04/23/566290423.db2.gz CDSRMPVJUMLJGW-UHFFFAOYSA-N 0 2 381.866 3.368 20 0 GGADLN O=S(=O)(Nc1ccc(Br)c2cccnc12)c1cncc(F)c1 ZINC000509380965 566295905 /nfs/dbraw/zinc/29/59/05/566295905.db2.gz YUKLXROFFUTGNL-UHFFFAOYSA-N 0 2 382.214 3.332 20 0 GGADLN COC(=O)c1c(F)cc(NS(=O)(=O)c2cccc(Cl)c2F)cc1F ZINC000509384517 566296073 /nfs/dbraw/zinc/29/60/73/566296073.db2.gz FPZVTBYETHVQKZ-UHFFFAOYSA-N 0 2 379.743 3.345 20 0 GGADLN COC[C@@H](C)n1ccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2C)n1 ZINC000509384604 566296300 /nfs/dbraw/zinc/29/63/00/566296300.db2.gz GCNBNSMJQXWVMY-LLVKDONJSA-N 0 2 377.388 3.219 20 0 GGADLN CCOc1ccc(S(=O)(=O)Nc2cnoc2CC)cc1Br ZINC000509376413 566297231 /nfs/dbraw/zinc/29/72/31/566297231.db2.gz QURMKZVQAZSNAY-UHFFFAOYSA-N 0 2 375.244 3.199 20 0 GGADLN CC(C)(C)c1nc(=NC(=O)[C@H]2COc3ccc(Br)cc32)s[nH]1 ZINC000535344178 566297331 /nfs/dbraw/zinc/29/73/31/566297331.db2.gz HWDMJGUCLRJUGF-JTQLQIEISA-N 0 2 382.283 3.135 20 0 GGADLN COc1ccc(S(=O)(=O)Nc2nc(C)c(Cc3ccccc3)s2)cn1 ZINC000669605749 566313691 /nfs/dbraw/zinc/31/36/91/566313691.db2.gz CTDSMJUVDSEGKW-UHFFFAOYSA-N 0 2 375.475 3.247 20 0 GGADLN CCSCc1ccnc(NS(=O)(=O)c2cccc(C(=O)OC)c2C)c1 ZINC000535620654 566315475 /nfs/dbraw/zinc/31/54/75/566315475.db2.gz LLLSEHSSRQOXSY-UHFFFAOYSA-N 0 2 380.491 3.231 20 0 GGADLN CC(=O)Nc1cc(F)c(S(=O)(=O)NCc2ccc(C)s2)c(F)c1Cl ZINC000462526719 566317755 /nfs/dbraw/zinc/31/77/55/566317755.db2.gz OWHZOABFWMNMPX-UHFFFAOYSA-N 0 2 394.852 3.425 20 0 GGADLN CCOc1cc(F)ccc1NS(=O)(=O)c1cc(Cl)ccc1C(=O)OC ZINC000509584463 566318118 /nfs/dbraw/zinc/31/81/18/566318118.db2.gz MCTIRZPVPXUNKT-UHFFFAOYSA-N 0 2 387.816 3.465 20 0 GGADLN O=S(=O)(Nc1ccccc1OC(F)(F)F)c1cccc2c1OCCO2 ZINC000509662026 566326298 /nfs/dbraw/zinc/32/62/98/566326298.db2.gz XQXLCZNKIOWIRX-UHFFFAOYSA-N 0 2 375.324 3.157 20 0 GGADLN COc1cc2nc(NS(=O)(=O)c3ccc(Cl)cc3C)[nH]c2cc1OC ZINC000535769514 566326589 /nfs/dbraw/zinc/32/65/89/566326589.db2.gz RPXYXINOKCABAN-UHFFFAOYSA-N 0 2 381.841 3.343 20 0 GGADLN Cn1nc2c(c1NS(=O)(=O)c1cc(Cl)ccc1C(F)(F)F)CCC2 ZINC000556796184 566332252 /nfs/dbraw/zinc/33/22/52/566332252.db2.gz QYSFNPRGEYFSEH-UHFFFAOYSA-N 0 2 379.791 3.382 20 0 GGADLN CO[C@H]1CCOc2c(NS(=O)(=O)c3cncc(Br)c3)cccc21 ZINC000556804686 566334695 /nfs/dbraw/zinc/33/46/95/566334695.db2.gz ULSWTOOXULKHKK-AWEZNQCLSA-N 0 2 399.266 3.115 20 0 GGADLN Cc1ccc(C(=O)N=c2nc(-c3cccnc3)[nH]s2)c(Br)c1 ZINC000535929680 566339953 /nfs/dbraw/zinc/33/99/53/566339953.db2.gz NDRJLOBVVJEUQN-UHFFFAOYSA-N 0 2 375.251 3.345 20 0 GGADLN CSc1nnc(CNC(=O)N=c2nc(-c3ccccc3Cl)[nH]s2)s1 ZINC000446290173 566340327 /nfs/dbraw/zinc/34/03/27/566340327.db2.gz VYRDULZGDBCQSB-UHFFFAOYSA-N 0 2 398.926 3.176 20 0 GGADLN Cc1ccc(Br)c(C(=O)N=c2nc(-c3cccnc3)[nH]s2)c1 ZINC000535933209 566340532 /nfs/dbraw/zinc/34/05/32/566340532.db2.gz WGXIQYQYFUNIQP-UHFFFAOYSA-N 0 2 375.251 3.345 20 0 GGADLN CC[C@H](CS(=O)(=O)Nc1ccn(-c2cccc(C(F)(F)F)c2)n1)OC ZINC000421144966 566349263 /nfs/dbraw/zinc/34/92/63/566349263.db2.gz CHKWQHLRPMJSDS-CYBMUJFWSA-N 0 2 377.388 3.058 20 0 GGADLN CC[C@@H](CS(=O)(=O)Nc1cc(Cl)ccc1OC[C@H]1CCCCO1)OC ZINC000421150394 566349532 /nfs/dbraw/zinc/34/95/32/566349532.db2.gz IMMHMENCFUCHSG-LSDHHAIUSA-N 0 2 391.917 3.455 20 0 GGADLN COCCOc1c(Cl)cccc1NS(=O)(=O)C[C@H](CC(C)C)OC ZINC000421148117 566349596 /nfs/dbraw/zinc/34/95/96/566349596.db2.gz DDGJSKKLOQKJSG-ZDUSSCGKSA-N 0 2 379.906 3.168 20 0 GGADLN Cc1cc(Cn2nnc(C(=O)Nc3cc(Cl)c(O)c(Cl)c3)c2C)no1 ZINC000556954205 566349832 /nfs/dbraw/zinc/34/98/32/566349832.db2.gz IBYWSDQPMONSMC-UHFFFAOYSA-N 0 2 382.207 3.196 20 0 GGADLN COc1cc2nc(NC(=O)c3cccc(Br)c3O)[nH]c2cc1OC ZINC000556950418 566349924 /nfs/dbraw/zinc/34/99/24/566349924.db2.gz YKYGGSZOIXCFMX-UHFFFAOYSA-N 0 2 392.209 3.301 20 0 GGADLN CC[C@@H](CS(=O)(=O)Nc1cc(Cl)ccc1OC[C@@H]1CCCO1)OC ZINC000421149379 566350049 /nfs/dbraw/zinc/35/00/49/566350049.db2.gz FSKIZQCWELDGGT-KBPBESRZSA-N 0 2 377.890 3.065 20 0 GGADLN CC[C@H](CS(=O)(=O)Nc1cc(Cl)ccc1OC[C@H]1CCCO1)OC ZINC000421149382 566350080 /nfs/dbraw/zinc/35/00/80/566350080.db2.gz FSKIZQCWELDGGT-ZIAGYGMSSA-N 0 2 377.890 3.065 20 0 GGADLN Cc1cc(C(=O)Nc2cc(Cl)cc(Cl)c2O)cc(S(N)(=O)=O)c1C ZINC000536094512 566350267 /nfs/dbraw/zinc/35/02/67/566350267.db2.gz GWJJOCXGBISLPL-UHFFFAOYSA-N 0 2 389.260 3.216 20 0 GGADLN CC[C@@H](CS(=O)(=O)Nc1ccc(Cl)cc1OCC(F)(F)F)OC ZINC000421158918 566351527 /nfs/dbraw/zinc/35/15/27/566351527.db2.gz SQLRDXNASWTJEP-JTQLQIEISA-N 0 2 375.796 3.448 20 0 GGADLN CO[C@H](CC(C)C)CS(=O)(=O)Nc1cc(C)cc(Br)c1O ZINC000421162208 566351265 /nfs/dbraw/zinc/35/12/65/566351265.db2.gz YZWGYOFURJBSIU-LLVKDONJSA-N 0 2 380.304 3.266 20 0 GGADLN CC[C@H](CS(=O)(=O)Nc1ccc(Cl)cc1OCC(F)(F)F)OC ZINC000421158920 566351749 /nfs/dbraw/zinc/35/17/49/566351749.db2.gz SQLRDXNASWTJEP-SNVBAGLBSA-N 0 2 375.796 3.448 20 0 GGADLN COC(=O)c1cc(Cl)c(C)c(S(=O)(=O)Nc2cc(C)n(C(C)C)n2)c1 ZINC000421179698 566354054 /nfs/dbraw/zinc/35/40/54/566354054.db2.gz CZRKQXKOGGCBRG-UHFFFAOYSA-N 0 2 385.873 3.322 20 0 GGADLN CSCCc1ccc(NS(=O)(=O)c2cc(C(F)(F)F)nn2C)cc1 ZINC000600645667 566354182 /nfs/dbraw/zinc/35/41/82/566354182.db2.gz GFAZNFBRJMGMMA-UHFFFAOYSA-N 0 2 379.429 3.145 20 0 GGADLN COc1ccc(S(=O)(=O)Nc2cc(C)n(C(C)C)n2)c(Br)c1 ZINC000421188469 566354746 /nfs/dbraw/zinc/35/47/46/566354746.db2.gz XRPAWBJFHLCUEA-UHFFFAOYSA-N 0 2 388.287 3.344 20 0 GGADLN CCOC(=O)c1ccsc1NS(=O)(=O)CCc1c(F)cccc1F ZINC000600668443 566356853 /nfs/dbraw/zinc/35/68/53/566356853.db2.gz QGJRIMUGBFWTEU-UHFFFAOYSA-N 0 2 375.418 3.187 20 0 GGADLN COC(=O)c1cc(Cl)cc(S(=O)(=O)Nc2cncc3ccccc32)c1 ZINC000536185985 566357025 /nfs/dbraw/zinc/35/70/25/566357025.db2.gz UYQZBPSCULAMDN-UHFFFAOYSA-N 0 2 376.821 3.476 20 0 GGADLN COC(=O)c1csc(S(=O)(=O)Nc2ccc3[nH]c(C(F)F)nc3c2)c1 ZINC000536184316 566357075 /nfs/dbraw/zinc/35/70/75/566357075.db2.gz VLVPDDBKDFBOPC-UHFFFAOYSA-N 0 2 387.389 3.149 20 0 GGADLN CCCCc1nnc(NS(=O)(=O)c2cc(F)ccc2OC(F)F)s1 ZINC000421231790 566357600 /nfs/dbraw/zinc/35/76/00/566357600.db2.gz XSWCUZRUVFXOLH-UHFFFAOYSA-N 0 2 381.401 3.422 20 0 GGADLN CO[C@@H](CC(C)C)CS(=O)(=O)[N-]c1nc(C[NH+]2CCC(C)CC2)cs1 ZINC000421230859 566358071 /nfs/dbraw/zinc/35/80/71/566358071.db2.gz VUMAQYAGNQVRIF-INIZCTEOSA-N 0 2 389.587 3.178 20 0 GGADLN CCOc1cc(Cl)ccc1NS(=O)(=O)c1ccc(F)cc1C(=O)OC ZINC000536196941 566358137 /nfs/dbraw/zinc/35/81/37/566358137.db2.gz IKUXTCGMBZNOFW-UHFFFAOYSA-N 0 2 387.816 3.465 20 0 GGADLN COC(=O)c1ccc(F)cc1S(=O)(=O)Nc1nc2c(s1)CCC2(C)C ZINC000421229827 566358093 /nfs/dbraw/zinc/35/80/93/566358093.db2.gz GSLDWOGMZYJENP-UHFFFAOYSA-N 0 2 384.454 3.093 20 0 GGADLN COC(=O)c1ccc(S(=O)(=O)Nc2ccccc2OC(F)F)cc1F ZINC000446626015 566358484 /nfs/dbraw/zinc/35/84/84/566358484.db2.gz AWDLWKROKNHQCI-UHFFFAOYSA-N 0 2 375.324 3.015 20 0 GGADLN COC(=O)c1cc(F)ccc1S(=O)(=O)Nc1ccc(SC)cc1OC ZINC000446626675 566358618 /nfs/dbraw/zinc/35/86/18/566358618.db2.gz XTGIZMJDXOHTGG-UHFFFAOYSA-N 0 2 385.438 3.144 20 0 GGADLN COC(=O)c1ccc(S(=O)(=O)Nc2cc(C)c(Cl)cc2OC)cc1F ZINC000446628123 566358927 /nfs/dbraw/zinc/35/89/27/566358927.db2.gz JPCJCCJBBQJHBF-UHFFFAOYSA-N 0 2 387.816 3.384 20 0 GGADLN CCc1noc2ncc(S(=O)(=O)Nc3ccc(SC)cc3OC)cc12 ZINC000446625399 566359479 /nfs/dbraw/zinc/35/94/79/566359479.db2.gz RHMOSVKAYSFGKB-UHFFFAOYSA-N 0 2 379.463 3.317 20 0 GGADLN COCCc1ccnc(NS(=O)(=O)c2cc(Cl)ccc2OC(F)F)c1 ZINC000421253136 566360180 /nfs/dbraw/zinc/36/01/80/566360180.db2.gz WJBXJAKQPQRYFL-UHFFFAOYSA-N 0 2 392.811 3.326 20 0 GGADLN CCOC(=O)c1ccc(F)c(C)c1NS(=O)(=O)C[C@H](CC(C)C)OC ZINC000421254055 566360256 /nfs/dbraw/zinc/36/02/56/566360256.db2.gz YEJYDFGBEQGGLK-ZDUSSCGKSA-N 0 2 375.462 3.114 20 0 GGADLN Cc1cc(=NC(=O)N[C@H](C)Cc2ccc(F)c(Br)c2)[nH]nc1C ZINC000483187369 566363899 /nfs/dbraw/zinc/36/38/99/566363899.db2.gz UHJSZBPEKXREHB-SNVBAGLBSA-N 0 2 381.249 3.170 20 0 GGADLN Cc1cc(=NC(=O)N[C@@H](C)Cc2ccc(F)c(Br)c2)[nH]nc1C ZINC000483187363 566364086 /nfs/dbraw/zinc/36/40/86/566364086.db2.gz 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GGADLN O=C(N[C@@H]1CCO[C@]2(CCSC2)C1)c1cc(F)cc(Br)c1O ZINC000436853311 567457513 /nfs/dbraw/zinc/45/75/13/567457513.db2.gz BOSIJCDKFRRGRZ-MEBBXXQBSA-N 0 2 390.274 3.078 20 0 GGADLN C[C@@H](N1CCN(C(=O)c2cc(F)cc(Br)c2O)CC1)C(F)(F)F ZINC000436851878 567457826 /nfs/dbraw/zinc/45/78/26/567457826.db2.gz NBJSMNPABYMYSG-MRVPVSSYSA-N 0 2 399.182 3.002 20 0 GGADLN Cn1nc(-c2ccncc2)cc1NC(=O)c1cc(F)cc(Br)c1O ZINC000436850464 567457971 /nfs/dbraw/zinc/45/79/71/567457971.db2.gz IBPJOMTVYZQGHK-UHFFFAOYSA-N 0 2 391.200 3.342 20 0 GGADLN O=C(Nc1cccc(Cn2cncn2)c1)c1cc(F)cc(Br)c1O ZINC000436849976 567458082 /nfs/dbraw/zinc/45/80/82/567458082.db2.gz XAQCXJYVQVZIRI-UHFFFAOYSA-N 0 2 391.200 3.186 20 0 GGADLN COCCOc1ccccc1CNC(=O)c1cc(F)cc(Br)c1O ZINC000436849496 567458231 /nfs/dbraw/zinc/45/82/31/567458231.db2.gz SSJLKVZOAFHZMH-UHFFFAOYSA-N 0 2 398.228 3.249 20 0 GGADLN O=C(NC[C@H](O)CCc1ccccc1)c1cc(F)cc(Br)c1O ZINC000436847701 567458302 /nfs/dbraw/zinc/45/83/02/567458302.db2.gz GJIRHZLXEBCGJH-CYBMUJFWSA-N 0 2 382.229 3.017 20 0 GGADLN C[C@@H](NC(=O)c1cc(F)cc(Br)c1O)c1ccc2c(c1)CC(=O)N2 ZINC000436850084 567458340 /nfs/dbraw/zinc/45/83/40/567458340.db2.gz YARDYRLPTMKIDF-MRVPVSSYSA-N 0 2 393.212 3.279 20 0 GGADLN O=C(c1cc(F)cc(Br)c1O)N1CCO[C@H](c2cccc(O)c2)C1 ZINC000436857551 567459065 /nfs/dbraw/zinc/45/90/65/567459065.db2.gz CVLFBXNWBNKXOQ-HNNXBMFYSA-N 0 2 396.212 3.213 20 0 GGADLN Cc1nn(C)c(C)c1C[C@@H](C)NC(=O)c1cc(F)cc(Br)c1O ZINC000436853945 567459083 /nfs/dbraw/zinc/45/90/83/567459083.db2.gz DPAKPMFKCXBTJV-MRVPVSSYSA-N 0 2 384.249 3.005 20 0 GGADLN O=C(NCCc1c[nH]c2ncccc12)c1cc(F)cc(Br)c1O ZINC000436853875 567459226 /nfs/dbraw/zinc/45/92/26/567459226.db2.gz CWURVWVBQZNTIM-UHFFFAOYSA-N 0 2 378.201 3.143 20 0 GGADLN COc1ccc(OCCN(C)C(=O)c2cc(F)cc(Br)c2O)cc1 ZINC000436854789 567459345 /nfs/dbraw/zinc/45/93/45/567459345.db2.gz UGPBGMWLXFLRQJ-UHFFFAOYSA-N 0 2 398.228 3.453 20 0 GGADLN COc1cc(NC(=O)c2cc(F)cc(Br)c2O)ccc1NC(N)=O ZINC000436857719 567459425 /nfs/dbraw/zinc/45/94/25/567459425.db2.gz 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RUWCCMDZWRIFNT-FPOVZHCZSA-N 0 2 382.460 3.164 20 0 GGADLN Cc1ccc(-c2csc(NC(=O)C[NH2+][C@@H](C(=O)[O-])c3ccccc3)n2)cc1 ZINC000738493670 599783477 /nfs/dbraw/zinc/78/34/77/599783477.db2.gz WHODJTRDCDCQCR-GOSISDBHSA-N 0 2 381.457 3.473 20 0 GGADLN COc1ccc(-c2csc(NC(=O)C[NH2+][C@H](C(=O)[O-])c3ccccc3)n2)cc1 ZINC000737913048 599784304 /nfs/dbraw/zinc/78/43/04/599784304.db2.gz XLUQBDZCXDYROJ-SFHVURJKSA-N 0 2 397.456 3.173 20 0 GGADLN O=C([O-])[C@H]([NH2+]CC(=O)N[C@H](c1cccs1)c1ccccc1)c1ccccc1 ZINC000739306110 599785159 /nfs/dbraw/zinc/78/51/59/599785159.db2.gz FALTVNWIGUPXKR-VQTJNVASSA-N 0 2 380.469 3.369 20 0 GGADLN O=C(C[NH2+][C@@H](C(=O)[O-])c1ccccc1)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000739307857 599785213 /nfs/dbraw/zinc/78/52/13/599785213.db2.gz QXZYQUNRJFVCDR-HXUWFJFHSA-N 0 2 396.443 3.472 20 0 GGADLN O=C([O-])[C@@H]([NH2+]CC(=O)Nc1ccc(OC(F)F)c(Cl)c1)c1ccccc1 ZINC000739307818 599785378 /nfs/dbraw/zinc/78/53/78/599785378.db2.gz QQRWFJUWHWHHIH-HNNXBMFYSA-N 0 2 384.766 3.295 20 0 GGADLN C[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)[NH+]1Cc2ccccc2-c2ccccc2C1 ZINC000736205630 599786156 /nfs/dbraw/zinc/78/61/56/599786156.db2.gz QNCMZMMSIFYTKS-INIZCTEOSA-N 0 2 378.472 3.381 20 0 GGADLN C[C@@H](NC(=O)C[NH2+][C@@H](C(=O)[O-])c1ccccc1)c1ccc(OC(F)(F)F)cc1 ZINC000736639457 599786857 /nfs/dbraw/zinc/78/68/57/599786857.db2.gz SDZKFDWALHYCCL-SJKOYZFVSA-N 0 2 396.365 3.178 20 0 GGADLN C[C@H](NC(=O)C[NH2+][C@H](C(=O)[O-])c1ccccc1)c1ccc(OC(F)(F)F)cc1 ZINC000736639456 599786872 /nfs/dbraw/zinc/78/68/72/599786872.db2.gz SDZKFDWALHYCCL-SJCJKPOMSA-N 0 2 396.365 3.178 20 0 GGADLN C[C@@H](NC(=O)C[NH2+][C@H](C(=O)[O-])c1ccccc1)c1ccc(OC(F)(F)F)cc1 ZINC000736639455 599786914 /nfs/dbraw/zinc/78/69/14/599786914.db2.gz SDZKFDWALHYCCL-PXAZEXFGSA-N 0 2 396.365 3.178 20 0 GGADLN C[C@@H]1CCCC[C@@H]1N(C)C(=O)C[NH2+][C@H](C(=O)[O-])c1ccc(Br)cc1 ZINC000736787349 599788010 /nfs/dbraw/zinc/78/80/10/599788010.db2.gz ZJISUHCGISRHIF-PVUWLOKVSA-N 0 2 397.313 3.202 20 0 GGADLN Cc1ccc(NC(=O)C[NH2+][C@H](C(=O)[O-])c2ccc(Br)cc2)cc1F ZINC000738622458 599789377 /nfs/dbraw/zinc/78/93/77/599789377.db2.gz VLSSUAJVXQEYCL-INIZCTEOSA-N 0 2 395.228 3.251 20 0 GGADLN O=C([O-])[C@H]([NH2+]CC(=O)NC1CCCCCCC1)c1ccc(Br)cc1 ZINC000739307250 599790606 /nfs/dbraw/zinc/79/06/06/599790606.db2.gz KSXAEEWDJDXJGW-QGZVFWFLSA-N 0 2 397.313 3.394 20 0 GGADLN Cc1ccc(NC(=O)C[NH2+][C@H](C(=O)[O-])c2ccc(Br)cc2)cc1C ZINC000738621290 599790628 /nfs/dbraw/zinc/79/06/28/599790628.db2.gz BAZJOSGNSIJBKY-KRWDZBQOSA-N 0 2 391.265 3.420 20 0 GGADLN Cc1cccc(C)c1NC(=O)C[NH2+][C@H](C(=O)[O-])c1ccc(Br)cc1 ZINC000738695416 599790648 /nfs/dbraw/zinc/79/06/48/599790648.db2.gz MJKLETFHUGXMIC-KRWDZBQOSA-N 0 2 391.265 3.420 20 0 GGADLN CN(Cc1ccccc1)C(=O)C[NH2+][C@H](C(=O)[O-])c1ccccc1C(F)(F)F ZINC000737485991 599791601 /nfs/dbraw/zinc/79/16/01/599791601.db2.gz BEQNPLPBVUJOFJ-KRWDZBQOSA-N 0 2 380.366 3.079 20 0 GGADLN O=C([O-])[C@H]([NH2+]CC(=O)N1CCc2ccccc2C1)c1ccccc1C(F)(F)F ZINC000739506469 599792737 /nfs/dbraw/zinc/79/27/37/599792737.db2.gz GJEZTAGVUHBERB-GOSISDBHSA-N 0 2 392.377 3.006 20 0 GGADLN Cc1cn(C[N@@H+](C)Cc2ccc(C(=O)[O-])cc2)c(=O)n1-c1ccc(Cl)cc1 ZINC000738798409 599800062 /nfs/dbraw/zinc/80/00/62/599800062.db2.gz JXWZMKNZPUHRAF-UHFFFAOYSA-N 0 2 385.851 3.389 20 0 GGADLN Cc1cn(C[N@H+](C)Cc2ccc(C(=O)[O-])cc2)c(=O)n1-c1ccc(Cl)cc1 ZINC000738798409 599800063 /nfs/dbraw/zinc/80/00/63/599800063.db2.gz JXWZMKNZPUHRAF-UHFFFAOYSA-N 0 2 385.851 3.389 20 0 GGADLN CC(C)C[C@H](NC(=O)C[N@@H+]1CCC[C@H]1c1ccccc1C(F)(F)F)C(=O)[O-] ZINC000736411728 599818174 /nfs/dbraw/zinc/81/81/74/599818174.db2.gz IQWRLBXPVDTTKS-HOTGVXAUSA-N 0 2 386.414 3.458 20 0 GGADLN CC(C)C[C@H](NC(=O)C[N@H+]1CCC[C@H]1c1ccccc1C(F)(F)F)C(=O)[O-] ZINC000736411728 599818176 /nfs/dbraw/zinc/81/81/76/599818176.db2.gz IQWRLBXPVDTTKS-HOTGVXAUSA-N 0 2 386.414 3.458 20 0 GGADLN CC(C)C[C@@H](NC(=O)C[N@@H+]1CCC[C@@H]1c1ccccc1C(F)(F)F)C(=O)[O-] ZINC000736411729 599818313 /nfs/dbraw/zinc/81/83/13/599818313.db2.gz IQWRLBXPVDTTKS-HZPDHXFCSA-N 0 2 386.414 3.458 20 0 GGADLN CC(C)C[C@@H](NC(=O)C[N@H+]1CCC[C@@H]1c1ccccc1C(F)(F)F)C(=O)[O-] ZINC000736411729 599818315 /nfs/dbraw/zinc/81/83/15/599818315.db2.gz IQWRLBXPVDTTKS-HZPDHXFCSA-N 0 2 386.414 3.458 20 0 GGADLN C[C@@H](c1cccc(NC(=O)N(C)Cc2ccc(C(=O)[O-])cc2)c1)[NH+]1CCOCC1 ZINC000736718053 599822534 /nfs/dbraw/zinc/82/25/34/599822534.db2.gz PZHBWAJZFGBFNA-INIZCTEOSA-N 0 2 397.475 3.442 20 0 GGADLN C[C@H](c1cccc(NC(=O)NCCc2ccc(C(=O)[O-])cc2)c1)[NH+]1CCOCC1 ZINC000736717354 599822542 /nfs/dbraw/zinc/82/25/42/599822542.db2.gz MLWAWFDGZGDSLO-MRXNPFEDSA-N 0 2 397.475 3.142 20 0 GGADLN O=C([O-])CCc1ccc(NC(=O)NCc2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC000739759570 599829927 /nfs/dbraw/zinc/82/99/27/599829927.db2.gz GESBJPBUZPTJCY-UHFFFAOYSA-N 0 2 378.432 3.270 20 0 GGADLN COc1ccc([C@@H]([NH2+]CC(=O)N(C)[C@@H](C)c2ccc(Cl)cc2)C(=O)[O-])cc1 ZINC000737965494 599857403 /nfs/dbraw/zinc/85/74/03/599857403.db2.gz XPGINYLHWNOSHY-ORAYPTAESA-N 0 2 390.867 3.284 20 0 GGADLN COc1ccc([C@@H]([NH2+]CC(=O)Nc2ccc(SC(F)F)cc2)C(=O)[O-])cc1 ZINC000737972214 599860717 /nfs/dbraw/zinc/86/07/17/599860717.db2.gz NELVTWAYNAZZKJ-MRXNPFEDSA-N 0 2 396.415 3.364 20 0 GGADLN COc1ccc([C@@H]([NH2+]CC(=O)N(C)[C@@H](C)c2cc3ccccc3o2)C(=O)[O-])cc1 ZINC000737964012 599861264 /nfs/dbraw/zinc/86/12/64/599861264.db2.gz DJWDJAKEBLFVMC-LHSJRXKWSA-N 0 2 396.443 3.376 20 0 GGADLN COc1ccc([C@@H]([NH2+]CC(=O)Nc2ccc(Cl)cc2Cl)C(=O)[O-])cc1 ZINC000737972311 599862889 /nfs/dbraw/zinc/86/28/89/599862889.db2.gz NNYKRCKUULNVDM-MRXNPFEDSA-N 0 2 383.231 3.356 20 0 GGADLN COc1ccc([C@H]([NH2+]CC(=O)N[C@H](C)c2ccc3ccccc3c2)C(=O)[O-])cc1 ZINC000737975670 599863296 /nfs/dbraw/zinc/86/32/96/599863296.db2.gz ZQXBIFZBQWLVLG-QRQCRPRQSA-N 0 2 392.455 3.441 20 0 GGADLN COc1ccc([C@H]([NH2+]CC(=O)N[C@@H](C)c2ccc3ccccc3c2)C(=O)[O-])cc1 ZINC000737975665 599863354 /nfs/dbraw/zinc/86/33/54/599863354.db2.gz ZQXBIFZBQWLVLG-NYHFZMIOSA-N 0 2 392.455 3.441 20 0 GGADLN COc1ccc([C@@H]([NH2+]CC(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)C(=O)[O-])cc1 ZINC000737975314 599863449 /nfs/dbraw/zinc/86/34/49/599863449.db2.gz XWLVDGLWVFBILR-OYHNWAKOSA-N 0 2 396.487 3.167 20 0 GGADLN Cc1cccc(S(=O)(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)c1C(=O)[O-] ZINC000738744077 599865093 /nfs/dbraw/zinc/86/50/93/599865093.db2.gz IMJMMNHWIITKIP-UHFFFAOYSA-N 0 2 391.836 3.333 20 0 GGADLN O=C([O-])c1ccc(C[NH+]2CCN(C(=O)c3c(F)cccc3Cl)CC2)cc1 ZINC000263583001 599874842 /nfs/dbraw/zinc/87/48/42/599874842.db2.gz ZINPWHRUWQGVNR-UHFFFAOYSA-N 0 2 376.815 3.135 20 0 GGADLN Cc1sc(NC(=O)N2CC[NH+](Cc3cccs3)CC2)c(C(=O)[O-])c1C ZINC000327331033 599880783 /nfs/dbraw/zinc/88/07/83/599880783.db2.gz CQYZDJZPNVSTSP-UHFFFAOYSA-N 0 2 379.507 3.474 20 0 GGADLN C[C@@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)Nc1ccc(C(=O)[O-])cc1 ZINC000736586300 599886284 /nfs/dbraw/zinc/88/62/84/599886284.db2.gz MPCIICYAPSCNRT-KRWDZBQOSA-N 0 2 397.475 3.140 20 0 GGADLN CCN(C(C)=O)c1nc(C[N@@H+](Cc2ccccc2)C[C@H](C)C(=O)[O-])cs1 ZINC000737063095 599888360 /nfs/dbraw/zinc/88/83/60/599888360.db2.gz ZJSHZSIVUGCZTO-AWEZNQCLSA-N 0 2 375.494 3.239 20 0 GGADLN CCN(C(C)=O)c1nc(C[N@H+](Cc2ccccc2)C[C@H](C)C(=O)[O-])cs1 ZINC000737063095 599888361 /nfs/dbraw/zinc/88/83/61/599888361.db2.gz ZJSHZSIVUGCZTO-AWEZNQCLSA-N 0 2 375.494 3.239 20 0 GGADLN O=C([O-])c1cccc(C(=O)Nc2nc3ccccc3n2CCCn2cc[nH+]c2)c1 ZINC000740215037 599920049 /nfs/dbraw/zinc/92/00/49/599920049.db2.gz FSTWVKCEZNEIET-UHFFFAOYSA-N 0 2 389.415 3.274 20 0 GGADLN C[C@H](C[N@H+](Cn1nc(-c2ccc(Cl)cc2)n(C)c1=S)C1CC1)C(=O)[O-] ZINC000736584348 599934836 /nfs/dbraw/zinc/93/48/36/599934836.db2.gz WGYFSGRJATXDQC-LLVKDONJSA-N 0 2 380.901 3.414 20 0 GGADLN C[C@H](C[N@@H+](Cn1nc(-c2ccc(Cl)cc2)n(C)c1=S)C1CC1)C(=O)[O-] ZINC000736584348 599934837 /nfs/dbraw/zinc/93/48/37/599934837.db2.gz WGYFSGRJATXDQC-LLVKDONJSA-N 0 2 380.901 3.414 20 0 GGADLN Cc1c(C(=O)[O-])sc2nc(C)nc(N3CC[C@@H](CNc4cccc[nH+]4)C3)c12 ZINC000649388088 599957142 /nfs/dbraw/zinc/95/71/42/599957142.db2.gz AQRZOQCSFLCDBA-ZDUSSCGKSA-N 0 2 383.477 3.340 20 0 GGADLN Cc1nn(C)c(Cl)c1[C@@H]1CCC[N@H+]1[C@@H](C)C(=O)c1[nH]c(C)c(C(=O)[O-])c1C ZINC000738916032 599974882 /nfs/dbraw/zinc/97/48/82/599974882.db2.gz RYXWOWKZWBXCSP-STQMWFEESA-N 0 2 392.887 3.433 20 0 GGADLN Cc1nn(C)c(Cl)c1[C@@H]1CCC[N@@H+]1[C@@H](C)C(=O)c1[nH]c(C)c(C(=O)[O-])c1C ZINC000738916032 599974884 /nfs/dbraw/zinc/97/48/84/599974884.db2.gz RYXWOWKZWBXCSP-STQMWFEESA-N 0 2 392.887 3.433 20 0 GGADLN CC[C@H](C)[C@H](NC(=O)C[N@@H+]1CCC[C@H]1c1nc2ccccc2s1)C(=O)[O-] ZINC000736873965 599987609 /nfs/dbraw/zinc/98/76/09/599987609.db2.gz CYVWEMQKWQJYNX-JDFRZJQESA-N 0 2 375.494 3.049 20 0 GGADLN CC[C@H](C)[C@H](NC(=O)C[N@H+]1CCC[C@H]1c1nc2ccccc2s1)C(=O)[O-] ZINC000736873965 599987611 /nfs/dbraw/zinc/98/76/11/599987611.db2.gz CYVWEMQKWQJYNX-JDFRZJQESA-N 0 2 375.494 3.049 20 0 GGADLN CC[C@H](C)[C@@H](NC(=O)C[N@@H+]1CCC[C@@H]1c1nc2ccccc2s1)C(=O)[O-] ZINC000736873964 599987717 /nfs/dbraw/zinc/98/77/17/599987717.db2.gz CYVWEMQKWQJYNX-DXCKQFNASA-N 0 2 375.494 3.049 20 0 GGADLN CC[C@H](C)[C@@H](NC(=O)C[N@H+]1CCC[C@@H]1c1nc2ccccc2s1)C(=O)[O-] ZINC000736873964 599987719 /nfs/dbraw/zinc/98/77/19/599987719.db2.gz CYVWEMQKWQJYNX-DXCKQFNASA-N 0 2 375.494 3.049 20 0 GGADLN CC(C)(C)[C@H](Cn1cc[nH+]c1)NC(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC000736240540 600020431 /nfs/dbraw/zinc/02/04/31/600020431.db2.gz CSSUEQZOCCLGGG-INIZCTEOSA-N 0 2 390.509 3.437 20 0 GGADLN C[C@H]1C[NH+](Cc2ccccc2NC(=O)NC2CCC(C(=O)[O-])CC2)C[C@H](C)O1 ZINC000736812500 600027318 /nfs/dbraw/zinc/02/73/18/600027318.db2.gz AXDQTFRSOZLSHJ-WMTDPASSSA-N 0 2 389.496 3.061 20 0 GGADLN COc1ccccc1N(C(C)=O)c1nc(C[NH+]2CCC(C(=O)[O-])CC2)cs1 ZINC000738129478 600034559 /nfs/dbraw/zinc/03/45/59/600034559.db2.gz NQICQFLHSAWJOJ-UHFFFAOYSA-N 0 2 389.477 3.133 20 0 GGADLN C[C@@H](c1cccc(NC(=O)CCc2ccc(C(=O)[O-])cc2)c1)[NH+]1CCOCC1 ZINC000736716864 600044654 /nfs/dbraw/zinc/04/46/54/600044654.db2.gz JIGHHDIRMWCDND-INIZCTEOSA-N 0 2 382.460 3.349 20 0 GGADLN O=C([O-])c1ccc(CCC(=O)NCc2cc[nH+]c(N3CCCCCC3)c2)cc1 ZINC000739255737 600045301 /nfs/dbraw/zinc/04/53/01/600045301.db2.gz HPZGFQHJIYXCFY-UHFFFAOYSA-N 0 2 381.476 3.409 20 0 GGADLN COc1ccc(OC)c([C@H]2CCC[N@@H+]2CC(=O)Nc2cc(C(=O)[O-])ccc2C)c1 ZINC000738050398 600049483 /nfs/dbraw/zinc/04/94/83/600049483.db2.gz YWBDLPYFZLMAHQ-LJQANCHMSA-N 0 2 398.459 3.486 20 0 GGADLN COc1ccc(OC)c([C@H]2CCC[N@H+]2CC(=O)Nc2cc(C(=O)[O-])ccc2C)c1 ZINC000738050398 600049485 /nfs/dbraw/zinc/04/94/85/600049485.db2.gz YWBDLPYFZLMAHQ-LJQANCHMSA-N 0 2 398.459 3.486 20 0 GGADLN COc1ccc(OC)c([C@@H]2CCC[N@@H+]2CC(=O)Nc2cccc(C(=O)[O-])c2)c1 ZINC000738050461 600049545 /nfs/dbraw/zinc/04/95/45/600049545.db2.gz ZWXZQYGQJBVSLX-SFHVURJKSA-N 0 2 384.432 3.178 20 0 GGADLN COc1ccc(OC)c([C@@H]2CCC[N@H+]2CC(=O)Nc2cccc(C(=O)[O-])c2)c1 ZINC000738050461 600049548 /nfs/dbraw/zinc/04/95/48/600049548.db2.gz ZWXZQYGQJBVSLX-SFHVURJKSA-N 0 2 384.432 3.178 20 0 GGADLN COc1ccc([C@H]2CCC[N@@H+]2CC(=O)Nc2ccccc2C(=O)[O-])c(OC)c1 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OQENRBYSKGFMPJ-IRXDYDNUSA-N 0 2 395.507 3.126 20 0 GGADLN C[C@@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1c1cc(N2CCC[C@H](C)C2)[nH+]cn1 ZINC000736791526 600207353 /nfs/dbraw/zinc/20/73/53/600207353.db2.gz OQENRBYSKGFMPJ-DLBZAZTESA-N 0 2 395.507 3.126 20 0 GGADLN C[C@@H]1CN(c2ccc(C(=O)[O-])cc2)CCN1c1cc(N2CCC[C@H](C)C2)nc[nH+]1 ZINC000736791526 600207355 /nfs/dbraw/zinc/20/73/55/600207355.db2.gz OQENRBYSKGFMPJ-DLBZAZTESA-N 0 2 395.507 3.126 20 0 GGADLN Cc1cc(N2CCN([C@H](C(=O)[O-])c3ccc(Cl)cc3)CC2)nc(C2CC2)[nH+]1 ZINC000738404894 600213704 /nfs/dbraw/zinc/21/37/04/600213704.db2.gz AJVXLTUPPLPOLQ-SFHVURJKSA-N 0 2 386.883 3.264 20 0 GGADLN CNC(=O)C[N@H+](Cc1cccc(C(=O)[O-])c1)Cc1cccc(C(F)(F)F)c1 ZINC000263482633 600261232 /nfs/dbraw/zinc/26/12/32/600261232.db2.gz OKHIRDGGCPJEBF-UHFFFAOYSA-N 0 2 380.366 3.152 20 0 GGADLN CNC(=O)C[N@@H+](Cc1cccc(C(=O)[O-])c1)Cc1cccc(C(F)(F)F)c1 ZINC000263482633 600261234 /nfs/dbraw/zinc/26/12/34/600261234.db2.gz OKHIRDGGCPJEBF-UHFFFAOYSA-N 0 2 380.366 3.152 20 0 GGADLN C[C@@H]1CCc2c(sc(=O)n2C[N@H+](CCC(=O)[O-])Cc2ccc(F)c(F)c2)C1 ZINC000736801090 600281084 /nfs/dbraw/zinc/28/10/84/600281084.db2.gz JKALWQDRCUAOQI-GFCCVEGCSA-N 0 2 396.459 3.247 20 0 GGADLN C[C@@H]1CCc2c(sc(=O)n2C[N@@H+](CCC(=O)[O-])Cc2ccc(F)c(F)c2)C1 ZINC000736801090 600281086 /nfs/dbraw/zinc/28/10/86/600281086.db2.gz JKALWQDRCUAOQI-GFCCVEGCSA-N 0 2 396.459 3.247 20 0 GGADLN O=C([O-])[C@@H]1CC12CC[NH+](CC(=O)Nc1ccccc1C(=O)c1ccccc1)CC2 ZINC000739277484 600305174 /nfs/dbraw/zinc/30/51/74/600305174.db2.gz BBZXHYRPQAVLAV-SFHVURJKSA-N 0 2 392.455 3.043 20 0 GGADLN Cc1ccc2[nH+]c(CSCC(=O)Nc3ccc(CNC(=O)[O-])cc3)cn2c1 ZINC000738676503 600307691 /nfs/dbraw/zinc/30/76/91/600307691.db2.gz CWLLGSIEYCGJGX-UHFFFAOYSA-N 0 2 384.461 3.282 20 0 GGADLN O=C([O-])C1([NH2+]Cc2nc(-c3cccc(Br)c3)no2)CCCCC1 ZINC000739520658 600320034 /nfs/dbraw/zinc/32/00/34/600320034.db2.gz XOTGCIAULYMVKG-UHFFFAOYSA-N 0 2 380.242 3.376 20 0 GGADLN O=C([O-])CCCc1nc(C[NH+]2CCC(c3c[nH]c4cc(F)ccc43)CC2)no1 ZINC000739698707 600330551 /nfs/dbraw/zinc/33/05/51/600330551.db2.gz YGXDNXVPLFAYFS-UHFFFAOYSA-N 0 2 386.427 3.477 20 0 GGADLN O=C([O-])c1ccc(-c2nc(C[N@@H+]3CCC[C@H](N4CCCC4=O)C3)cs2)cc1 ZINC000740098201 600335369 /nfs/dbraw/zinc/33/53/69/600335369.db2.gz NNYJZSYDSZPHJC-KRWDZBQOSA-N 0 2 385.489 3.095 20 0 GGADLN O=C([O-])c1ccc(-c2nc(C[N@H+]3CCC[C@H](N4CCCC4=O)C3)cs2)cc1 ZINC000740098201 600335373 /nfs/dbraw/zinc/33/53/73/600335373.db2.gz NNYJZSYDSZPHJC-KRWDZBQOSA-N 0 2 385.489 3.095 20 0 GGADLN CN(Cc1ccc(NC(=O)NCc2cc[nH+]c(N3CCCC3)c2)cc1)C(=O)[O-] ZINC000737480023 600345131 /nfs/dbraw/zinc/34/51/31/600345131.db2.gz DIFFPQZFMAQUSB-UHFFFAOYSA-N 0 2 383.452 3.113 20 0 GGADLN O=C([O-])c1cccc(NC(=O)N[C@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)c1 ZINC000739478996 600355223 /nfs/dbraw/zinc/35/52/23/600355223.db2.gz DUCKIXWLGZJQMF-HNNXBMFYSA-N 0 2 389.402 3.449 20 0 GGADLN O=C([O-])c1cccc(NC(=O)N[C@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)c1 ZINC000739478996 600355226 /nfs/dbraw/zinc/35/52/26/600355226.db2.gz 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CCc1ccc(C[NH+]2CCN(C(=O)Nc3ccc(F)c(C(=O)[O-])c3)CC2)s1 ZINC000737264063 600478122 /nfs/dbraw/zinc/47/81/22/600478122.db2.gz FRJYQQPYGUIJHQ-UHFFFAOYSA-N 0 2 391.468 3.498 20 0 GGADLN CCOc1ccc(C[C@H](CNC(=O)Nc2ccc3[nH+]c(C)cn3c2)C(=O)[O-])cc1 ZINC000737200351 600480650 /nfs/dbraw/zinc/48/06/50/600480650.db2.gz QZDAKJVXBCOTDX-MRXNPFEDSA-N 0 2 396.447 3.106 20 0 GGADLN Cc1ccc2[nH+]c(CSCC(=O)Nc3ccc4[nH]nc(C(=O)[O-])c4c3)cn2c1 ZINC000738676527 600494085 /nfs/dbraw/zinc/49/40/85/600494085.db2.gz DKLBJTRVPQTMIB-UHFFFAOYSA-N 0 2 395.444 3.089 20 0 GGADLN CC[C@](NC(=O)CSCc1cn2cc(C)ccc2[nH+]1)(C(=O)[O-])c1ccccc1 ZINC000736909977 600494278 /nfs/dbraw/zinc/49/42/78/600494278.db2.gz CYFFOBMLLXSLHP-OAQYLSRUSA-N 0 2 397.500 3.382 20 0 GGADLN CC[C@@](NC(=O)CSCc1cn2cc(C)ccc2[nH+]1)(C(=O)[O-])c1ccccc1 ZINC000736909975 600494411 /nfs/dbraw/zinc/49/44/11/600494411.db2.gz CYFFOBMLLXSLHP-NRFANRHFSA-N 0 2 397.500 3.382 20 0 GGADLN C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)Nc2ccc(N(C)C(=O)[O-])cc2)CC1 ZINC000736726377 600542504 /nfs/dbraw/zinc/54/25/04/600542504.db2.gz UDJPKMNQGAYLON-HNNXBMFYSA-N 0 2 383.452 3.107 20 0 GGADLN C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)Nc2ccc(CCC(=O)[O-])cc2)CC1 ZINC000736726255 600543870 /nfs/dbraw/zinc/54/38/70/600543870.db2.gz SAMSXSPNKWVPHR-INIZCTEOSA-N 0 2 382.464 3.010 20 0 GGADLN O=C([O-])C1CCN(C(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)CC1 ZINC000739592363 600559792 /nfs/dbraw/zinc/55/97/92/600559792.db2.gz UNPGRJHCUNEMRP-MRXNPFEDSA-N 0 2 397.878 3.122 20 0 GGADLN CC(C)c1ccc(C[NH+]2CCN(C(=O)CS[C@H](C)CC(=O)[O-])CC2)cc1 ZINC000736554111 600593297 /nfs/dbraw/zinc/59/32/97/600593297.db2.gz WWZMWVMCYAZLCC-MRXNPFEDSA-N 0 2 378.538 3.051 20 0 GGADLN COc1ccc2c(C)cc3nn(C[N@H+](CCC(=O)[O-])C(C)C)c(=S)n3c2c1 ZINC000738072386 600608821 /nfs/dbraw/zinc/60/88/21/600608821.db2.gz IOKSQSQGLVMQBX-UHFFFAOYSA-N 0 2 388.493 3.478 20 0 GGADLN COc1ccc2c(C)cc3nn(C[N@@H+](CCC(=O)[O-])C(C)C)c(=S)n3c2c1 ZINC000738072386 600608822 /nfs/dbraw/zinc/60/88/22/600608822.db2.gz IOKSQSQGLVMQBX-UHFFFAOYSA-N 0 2 388.493 3.478 20 0 GGADLN COc1ccc(-c2nn(C[N@H+](CCC(=O)[O-])C(C)C)c(=S)o2)cc1OC ZINC000737911197 600609186 /nfs/dbraw/zinc/60/91/86/600609186.db2.gz CCRUEVQXJIYEKR-UHFFFAOYSA-N 0 2 381.454 3.032 20 0 GGADLN COc1ccc(-c2nn(C[N@@H+](CCC(=O)[O-])C(C)C)c(=S)o2)cc1OC ZINC000737911197 600609190 /nfs/dbraw/zinc/60/91/90/600609190.db2.gz CCRUEVQXJIYEKR-UHFFFAOYSA-N 0 2 381.454 3.032 20 0 GGADLN CCOC(=O)c1sc2nc(C[NH+](C)C)nc(S[C@@H](C)CC(=O)[O-])c2c1C ZINC000737157119 600625351 /nfs/dbraw/zinc/62/53/51/600625351.db2.gz RERJUSSCGIOMAW-VIFPVBQESA-N 0 2 397.522 3.193 20 0 GGADLN O=C([O-])c1ccc(CCNC(=O)Nc2ccccc2OCCn2cc[nH+]c2)cc1 ZINC000739429295 600626926 /nfs/dbraw/zinc/62/69/26/600626926.db2.gz FNFSIPPHMZPFCV-UHFFFAOYSA-N 0 2 394.431 3.025 20 0 GGADLN CN(Cc1ccc(C(=O)[O-])cc1)C(=O)Nc1ccccc1OCCn1cc[nH+]c1 ZINC000737470679 600626940 /nfs/dbraw/zinc/62/69/40/600626940.db2.gz QJMDJZNAQXTNKR-UHFFFAOYSA-N 0 2 394.431 3.324 20 0 GGADLN CC[N@H+](C)[C@H](C(=O)O[C@H](C)C(=O)Nc1cc(C(=O)[O-])ccc1C)c1ccccc1 ZINC000829608803 600683263 /nfs/dbraw/zinc/68/32/63/600683263.db2.gz PWIYLGDGOTWIHR-BEFAXECRSA-N 0 2 398.459 3.256 20 0 GGADLN CC[N@@H+](C)[C@H](C(=O)O[C@H](C)C(=O)Nc1cc(C(=O)[O-])ccc1C)c1ccccc1 ZINC000829608803 600683265 /nfs/dbraw/zinc/68/32/65/600683265.db2.gz PWIYLGDGOTWIHR-BEFAXECRSA-N 0 2 398.459 3.256 20 0 GGADLN COc1cccc(F)c1[C@@H](C)[NH2+][C@@H]1CCN(c2sccc2C(=O)[O-])C1=O ZINC000832558500 600694023 /nfs/dbraw/zinc/69/40/23/600694023.db2.gz MPHYEIWLDWWSSQ-ZWNOBZJWSA-N 0 2 378.425 3.050 20 0 GGADLN Cc1ccc(-n2ccn(C[N@@H+]3CCSC[C@H]3CC(=O)[O-])c2=S)cc1C ZINC000738498429 600702904 /nfs/dbraw/zinc/70/29/04/600702904.db2.gz UDRBSRXTKWNDMN-MRXNPFEDSA-N 0 2 377.535 3.475 20 0 GGADLN Cc1ccc(-n2ccn(C[N@H+]3CCSC[C@H]3CC(=O)[O-])c2=S)cc1C ZINC000738498429 600702906 /nfs/dbraw/zinc/70/29/06/600702906.db2.gz UDRBSRXTKWNDMN-MRXNPFEDSA-N 0 2 377.535 3.475 20 0 GGADLN C[C@@H]1C(=O)N(C[N@H+](CCC(=O)[O-])Cc2ccc(F)c(F)c2)[C@H]1c1ccccc1 ZINC000828141452 600712880 /nfs/dbraw/zinc/71/28/80/600712880.db2.gz ATDCUEMOPDHBCO-VBKZILBWSA-N 0 2 388.414 3.419 20 0 GGADLN C[C@@H]1C(=O)N(C[N@@H+](CCC(=O)[O-])Cc2ccc(F)c(F)c2)[C@H]1c1ccccc1 ZINC000828141452 600712881 /nfs/dbraw/zinc/71/28/81/600712881.db2.gz ATDCUEMOPDHBCO-VBKZILBWSA-N 0 2 388.414 3.419 20 0 GGADLN Cc1oc(C[N@@H+]2CCCC[C@H]2C(=O)Nc2ccc3c(c2)CCO3)cc1C(=O)[O-] ZINC000738981801 600718564 /nfs/dbraw/zinc/71/85/64/600718564.db2.gz XYFUYAGCSFMJQN-SFHVURJKSA-N 0 2 384.432 3.214 20 0 GGADLN Cc1oc(C[N@H+]2CCCC[C@H]2C(=O)Nc2ccc3c(c2)CCO3)cc1C(=O)[O-] ZINC000738981801 600718565 /nfs/dbraw/zinc/71/85/65/600718565.db2.gz XYFUYAGCSFMJQN-SFHVURJKSA-N 0 2 384.432 3.214 20 0 GGADLN O=C([O-])CC[N@H+](Cn1[nH]c(-c2ccc(Cl)cc2)nc1=S)C1CCOCC1 ZINC000833236088 600721119 /nfs/dbraw/zinc/72/11/19/600721119.db2.gz KKQJJZQTVXUYJK-UHFFFAOYSA-N 0 2 396.900 3.174 20 0 GGADLN O=C([O-])CC[N@@H+](Cn1[nH]c(-c2ccc(Cl)cc2)nc1=S)C1CCOCC1 ZINC000833236088 600721120 /nfs/dbraw/zinc/72/11/20/600721120.db2.gz KKQJJZQTVXUYJK-UHFFFAOYSA-N 0 2 396.900 3.174 20 0 GGADLN O=C([O-])[C@@H]([NH2+][C@@H]1CCCN(c2ccccc2Cl)C1=O)c1ccc(F)cc1 ZINC000833168035 600754803 /nfs/dbraw/zinc/75/48/03/600754803.db2.gz SKXUKEJYYZQMFL-WBVHZDCISA-N 0 2 376.815 3.390 20 0 GGADLN C[C@@H](O)CNc1[nH+]c2ccccc2n1CCOc1ccc(C(=O)[O-])cc1Cl ZINC000827804489 600800592 /nfs/dbraw/zinc/80/05/92/600800592.db2.gz ZMWQVZRXOWLHDE-GFCCVEGCSA-N 0 2 389.839 3.260 20 0 GGADLN O=C([O-])c1ccc(OCC[NH+]2CCN(c3ccc(Cl)cn3)CC2)c(Cl)c1 ZINC000833321199 600821233 /nfs/dbraw/zinc/82/12/33/600821233.db2.gz MFHLZZKCORLXAP-UHFFFAOYSA-N 0 2 396.274 3.288 20 0 GGADLN CC(C)c1ncc2c(n1)C[N@@H+](CCOc1ccc(C(=O)[O-])cc1Cl)CC2 ZINC000827158222 600826527 /nfs/dbraw/zinc/82/65/27/600826527.db2.gz CBZAWFQCOUXAQU-UHFFFAOYSA-N 0 2 375.856 3.389 20 0 GGADLN CC(C)c1ncc2c(n1)C[N@H+](CCOc1ccc(C(=O)[O-])cc1Cl)CC2 ZINC000827158222 600826529 /nfs/dbraw/zinc/82/65/29/600826529.db2.gz CBZAWFQCOUXAQU-UHFFFAOYSA-N 0 2 375.856 3.389 20 0 GGADLN O=C([O-])c1cccc(-c2nc(C[N@H+]3CCC[C@@H]3[C@H](O)C(F)(F)F)cs2)c1 ZINC000833326505 600828084 /nfs/dbraw/zinc/82/80/84/600828084.db2.gz QNNBEPNKIDFCBP-KGLIPLIRSA-N 0 2 386.395 3.396 20 0 GGADLN O=C([O-])c1cccc(-c2nc(C[N@@H+]3CCC[C@@H]3[C@H](O)C(F)(F)F)cs2)c1 ZINC000833326505 600828086 /nfs/dbraw/zinc/82/80/86/600828086.db2.gz QNNBEPNKIDFCBP-KGLIPLIRSA-N 0 2 386.395 3.396 20 0 GGADLN Cc1ccc(S(=O)(=O)Nc2ccc(-n3cc[nH+]c3)c(Cl)c2)cc1C(=O)[O-] ZINC000832955900 600828117 /nfs/dbraw/zinc/82/81/17/600828117.db2.gz UNECEVNTDHGAOX-UHFFFAOYSA-N 0 2 391.836 3.333 20 0 GGADLN O=C([O-])c1cccc(-c2nc(C[N@@H+]3CCC[C@@H](N4CCCC4=O)C3)cs2)c1 ZINC000833326085 600829969 /nfs/dbraw/zinc/82/99/69/600829969.db2.gz HSNYVEYQPHCRBD-QGZVFWFLSA-N 0 2 385.489 3.095 20 0 GGADLN O=C([O-])c1cccc(-c2nc(C[N@H+]3CCC[C@@H](N4CCCC4=O)C3)cs2)c1 ZINC000833326085 600829971 /nfs/dbraw/zinc/82/99/71/600829971.db2.gz HSNYVEYQPHCRBD-QGZVFWFLSA-N 0 2 385.489 3.095 20 0 GGADLN C[C@@H](c1ccc(Cl)cc1)[NH+]1CCN(Cc2noc(CCCC(=O)[O-])n2)CC1 ZINC000827935262 600838196 /nfs/dbraw/zinc/83/81/96/600838196.db2.gz OOLWSSVVSCGJOC-AWEZNQCLSA-N 0 2 392.887 3.009 20 0 GGADLN O=C([O-])C[N@H+](Cc1nnc(-c2c(Cl)cccc2Cl)o1)C1CCOCC1 ZINC000833248979 600852885 /nfs/dbraw/zinc/85/28/85/600852885.db2.gz NXTQFQATVVYQBP-UHFFFAOYSA-N 0 2 386.235 3.109 20 0 GGADLN O=C([O-])C[N@@H+](Cc1nnc(-c2c(Cl)cccc2Cl)o1)C1CCOCC1 ZINC000833248979 600852886 /nfs/dbraw/zinc/85/28/86/600852886.db2.gz NXTQFQATVVYQBP-UHFFFAOYSA-N 0 2 386.235 3.109 20 0 GGADLN CCN1C[C@H](C[N@H+](C)[C@@H](C)C(=O)c2[nH]c(C)c(C(=O)[O-])c2C)Oc2ccccc21 ZINC000737113488 600870256 /nfs/dbraw/zinc/87/02/56/600870256.db2.gz VLJRQLPGIMQCCL-HOTGVXAUSA-N 0 2 399.491 3.120 20 0 GGADLN CCN1C[C@H](C[N@@H+](C)[C@@H](C)C(=O)c2[nH]c(C)c(C(=O)[O-])c2C)Oc2ccccc21 ZINC000737113488 600870258 /nfs/dbraw/zinc/87/02/58/600870258.db2.gz VLJRQLPGIMQCCL-HOTGVXAUSA-N 0 2 399.491 3.120 20 0 GGADLN Cn1cc[nH+]c1C[C@@H](NC(=O)CCc1ccc(C(=O)[O-])cc1)c1ccccc1 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ZINC000833262154 601275654 /nfs/dbraw/zinc/27/56/54/601275654.db2.gz VSVJMIVGFOHXLD-IBGZPJMESA-N 0 2 386.423 3.282 20 0 GGADLN Cn1cc([C@H]2C[N@H+](Cc3c(C(=O)[O-])sc4cccc(F)c43)CCO2)cn1 ZINC000569817858 601325505 /nfs/dbraw/zinc/32/55/05/601325505.db2.gz BJNWSRKQQLQULV-CQSZACIVSA-N 0 2 375.425 3.046 20 0 GGADLN Cn1cc([C@H]2C[N@@H+](Cc3c(C(=O)[O-])sc4cccc(F)c43)CCO2)cn1 ZINC000569817858 601325507 /nfs/dbraw/zinc/32/55/07/601325507.db2.gz BJNWSRKQQLQULV-CQSZACIVSA-N 0 2 375.425 3.046 20 0 GGADLN O=C([O-])c1ccc(N2CCCC2)c(NC(=O)N2CCC(c3c[nH]c[nH+]3)CC2)c1 ZINC000833318052 601334084 /nfs/dbraw/zinc/33/40/84/601334084.db2.gz DTQLHZWYLCKFJG-UHFFFAOYSA-N 0 2 383.452 3.120 20 0 GGADLN O=C([O-])c1ccc(N2CCCC2)c(NC(=O)N2CCC(c3c[nH+]c[nH]3)CC2)c1 ZINC000833318052 601334087 /nfs/dbraw/zinc/33/40/87/601334087.db2.gz DTQLHZWYLCKFJG-UHFFFAOYSA-N 0 2 383.452 3.120 20 0 GGADLN C[C@H](C1CC1)N(Cc1ccccc1)C(=O)CO[NH+]=C(N)c1cccc(C(=O)[O-])c1 ZINC000827212231 601351186 /nfs/dbraw/zinc/35/11/86/601351186.db2.gz 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CC(C)c1oc([C@H]2CCC[N@H+]2CC(=O)NCCC(=O)[O-])nc1-c1ccccc1 ZINC000827180441 601420507 /nfs/dbraw/zinc/42/05/07/601420507.db2.gz QXPLPISFQSSRGA-MRXNPFEDSA-N 0 2 385.464 3.193 20 0 GGADLN CC(C)OC(=O)Cc1nc(C[N@@H+]2C[C@H](C3CCCCC3)C[C@H]2C(=O)[O-])cs1 ZINC000826990043 601430216 /nfs/dbraw/zinc/43/02/16/601430216.db2.gz MHCHJCXZABOQHK-WBVHZDCISA-N 0 2 394.537 3.493 20 0 GGADLN CC(C)OC(=O)Cc1nc(C[N@H+]2C[C@H](C3CCCCC3)C[C@H]2C(=O)[O-])cs1 ZINC000826990043 601430217 /nfs/dbraw/zinc/43/02/17/601430217.db2.gz MHCHJCXZABOQHK-WBVHZDCISA-N 0 2 394.537 3.493 20 0 GGADLN Cc1c(C(=O)[O-])sc2[nH]c(C[N@@H+]3CC[C@H](c4ccc(F)cc4)C3)nc(=O)c12 ZINC000832853015 601500338 /nfs/dbraw/zinc/50/03/38/601500338.db2.gz PZVPXYHWVDBXFJ-LBPRGKRZSA-N 0 2 387.436 3.120 20 0 GGADLN Cc1c(C(=O)[O-])sc2[nH]c(C[N@H+]3CC[C@H](c4ccc(F)cc4)C3)nc(=O)c12 ZINC000832853015 601500339 /nfs/dbraw/zinc/50/03/39/601500339.db2.gz PZVPXYHWVDBXFJ-LBPRGKRZSA-N 0 2 387.436 3.120 20 0 GGADLN Cc1cc(C(=O)N[C@H](C)c2cccc(-n3cc[nH+]c3)c2)cc(C)c1OCC(=O)[O-] ZINC000832863860 601568917 /nfs/dbraw/zinc/56/89/17/601568917.db2.gz XFSFAKICTCJREB-MRXNPFEDSA-N 0 2 393.443 3.444 20 0 GGADLN O=C([O-])[C@H]1CCCC[N@@H+]1CC(=O)N1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000833292546 601578474 /nfs/dbraw/zinc/57/84/74/601578474.db2.gz FMPRKHSMXQZUMF-NHCUHLMSSA-N 0 2 378.472 3.100 20 0 GGADLN O=C([O-])[C@H]1CCCC[N@H+]1CC(=O)N1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000833292546 601578477 /nfs/dbraw/zinc/57/84/77/601578477.db2.gz FMPRKHSMXQZUMF-NHCUHLMSSA-N 0 2 378.472 3.100 20 0 GGADLN Cc1c(C(=O)[O-])sc2[nH]c(C[N@H+](CCC(F)(F)F)CC3CC3)nc(=O)c12 ZINC000832853357 601611373 /nfs/dbraw/zinc/61/13/73/601611373.db2.gz XIWGXUQLUBAWSR-UHFFFAOYSA-N 0 2 389.399 3.156 20 0 GGADLN Cc1c(C(=O)[O-])sc2[nH]c(C[N@@H+](CCC(F)(F)F)CC3CC3)nc(=O)c12 ZINC000832853357 601611374 /nfs/dbraw/zinc/61/13/74/601611374.db2.gz XIWGXUQLUBAWSR-UHFFFAOYSA-N 0 2 389.399 3.156 20 0 GGADLN Cc1sc(C(=O)[O-])cc1C[NH+]1CCN(Cc2nc(-c3ccccc3)no2)CC1 ZINC000833033102 601618169 /nfs/dbraw/zinc/61/81/69/601618169.db2.gz VHQMJAQRMNBXFN-UHFFFAOYSA-N 0 2 398.488 3.123 20 0 GGADLN Cc1[nH+]c(C(=O)[O-])cn1CC(=O)NCCC(c1ccccc1)c1ccccc1 ZINC000832996532 601639078 /nfs/dbraw/zinc/63/90/78/601639078.db2.gz UYGRKVZRFQTFGE-UHFFFAOYSA-N 0 2 377.444 3.228 20 0 GGADLN C[C@]([NH2+]Cc1ccc(C(=O)[O-])c(F)c1)(C(N)=O)c1cccc(C(F)(F)F)c1 ZINC000827741874 601650681 /nfs/dbraw/zinc/65/06/81/601650681.db2.gz VXGNPDMCLLUFLG-QGZVFWFLSA-N 0 2 384.329 3.033 20 0 GGADLN C[N@H+](CCOCc1ccccc1)CC(=O)Nc1sc2c(c1C(=O)[O-])CCC2 ZINC000830792508 601662796 /nfs/dbraw/zinc/66/27/96/601662796.db2.gz SDSRUIGTCKSTKZ-UHFFFAOYSA-N 0 2 388.489 3.022 20 0 GGADLN C[N@@H+](CCOCc1ccccc1)CC(=O)Nc1sc2c(c1C(=O)[O-])CCC2 ZINC000830792508 601662797 /nfs/dbraw/zinc/66/27/97/601662797.db2.gz SDSRUIGTCKSTKZ-UHFFFAOYSA-N 0 2 388.489 3.022 20 0 GGADLN Cc1c(Br)c(C(=O)[O-])nn1C[N@H+](CCC(F)(F)F)CC1CC1 ZINC000832849174 601785566 /nfs/dbraw/zinc/78/55/66/601785566.db2.gz STUVMKIIKNZGQE-UHFFFAOYSA-N 0 2 384.196 3.274 20 0 GGADLN Cc1c(Br)c(C(=O)[O-])nn1C[N@@H+](CCC(F)(F)F)CC1CC1 ZINC000832849174 601785567 /nfs/dbraw/zinc/78/55/67/601785567.db2.gz STUVMKIIKNZGQE-UHFFFAOYSA-N 0 2 384.196 3.274 20 0 GGADLN C[C@@H](c1nc(-c2ccccc2)no1)N1CC[NH+](Cc2ccsc2C(=O)[O-])CC1 ZINC000827957756 601807744 /nfs/dbraw/zinc/80/77/44/601807744.db2.gz PPOKDAQTNOELQE-AWEZNQCLSA-N 0 2 398.488 3.375 20 0 GGADLN O=C([O-])c1sccc1C[NH+]1CCN(C(=O)c2ccc(F)cc2Cl)CC1 ZINC000833349010 601812038 /nfs/dbraw/zinc/81/20/38/601812038.db2.gz XWTHITMHSABPMO-UHFFFAOYSA-N 0 2 382.844 3.197 20 0 GGADLN C[C@H]1C[N@H+](Cn2nc(-c3ccccc3)n(Cc3ccco3)c2=S)C[C@@H]1C(=O)[O-] ZINC000828462012 601813986 /nfs/dbraw/zinc/81/39/86/601813986.db2.gz FYLDJOGPKYEJCM-YOEHRIQHSA-N 0 2 398.488 3.332 20 0 GGADLN C[C@H]1C[N@@H+](Cn2nc(-c3ccccc3)n(Cc3ccco3)c2=S)C[C@@H]1C(=O)[O-] ZINC000828462012 601813988 /nfs/dbraw/zinc/81/39/88/601813988.db2.gz FYLDJOGPKYEJCM-YOEHRIQHSA-N 0 2 398.488 3.332 20 0 GGADLN C[C@@H]1C[N@H+](Cn2nc(-c3ccc(Br)cc3)oc2=S)C[C@H]1C(=O)[O-] ZINC000828462533 601815104 /nfs/dbraw/zinc/81/51/04/601815104.db2.gz KNDONGRFWXMRMV-BXKDBHETSA-N 0 2 398.282 3.245 20 0 GGADLN C[C@@H]1C[N@@H+](Cn2nc(-c3ccc(Br)cc3)oc2=S)C[C@H]1C(=O)[O-] ZINC000828462533 601815105 /nfs/dbraw/zinc/81/51/05/601815105.db2.gz KNDONGRFWXMRMV-BXKDBHETSA-N 0 2 398.282 3.245 20 0 GGADLN C[C@@H]1C[N@H+](Cn2nc(-c3ccc(OC(F)F)cc3)oc2=S)C[C@@H]1C(=O)[O-] ZINC000828465398 601816387 /nfs/dbraw/zinc/81/63/87/601816387.db2.gz XRVOJRLVWXXGAH-SKDRFNHKSA-N 0 2 385.392 3.084 20 0 GGADLN C[C@@H]1C[N@@H+](Cn2nc(-c3ccc(OC(F)F)cc3)oc2=S)C[C@@H]1C(=O)[O-] ZINC000828465398 601816388 /nfs/dbraw/zinc/81/63/88/601816388.db2.gz XRVOJRLVWXXGAH-SKDRFNHKSA-N 0 2 385.392 3.084 20 0 GGADLN C[C@H]1C[N@H+](Cn2nc(-c3ccccc3F)n(C3CC3)c2=S)C[C@@H]1C(=O)[O-] ZINC000828462124 601816499 /nfs/dbraw/zinc/81/64/99/601816499.db2.gz HBADUJXKWZRRKF-FZMZJTMJSA-N 0 2 376.457 3.165 20 0 GGADLN C[C@H]1C[N@@H+](Cn2nc(-c3ccccc3F)n(C3CC3)c2=S)C[C@@H]1C(=O)[O-] ZINC000828462124 601816500 /nfs/dbraw/zinc/81/65/00/601816500.db2.gz HBADUJXKWZRRKF-FZMZJTMJSA-N 0 2 376.457 3.165 20 0 GGADLN C[C@@H]1C[N@H+](Cn2nc(-c3ccccc3F)n(C3CC3)c2=S)C[C@@H]1C(=O)[O-] ZINC000828462126 601816561 /nfs/dbraw/zinc/81/65/61/601816561.db2.gz HBADUJXKWZRRKF-RISCZKNCSA-N 0 2 376.457 3.165 20 0 GGADLN C[C@@H]1C[N@@H+](Cn2nc(-c3ccccc3F)n(C3CC3)c2=S)C[C@@H]1C(=O)[O-] ZINC000828462126 601816562 /nfs/dbraw/zinc/81/65/62/601816562.db2.gz HBADUJXKWZRRKF-RISCZKNCSA-N 0 2 376.457 3.165 20 0 GGADLN O=C([O-])c1cc(S(=O)(=O)Nc2cccc(-n3cc[nH+]c3)c2)ccc1Cl ZINC000326900409 601843435 /nfs/dbraw/zinc/84/34/35/601843435.db2.gz KVNZXHBBQFXUKT-UHFFFAOYSA-N 0 2 377.809 3.025 20 0 GGADLN O=C([O-])Cc1csc(NC(=O)N[C@@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)n1 ZINC000833269384 601857826 /nfs/dbraw/zinc/85/78/26/601857826.db2.gz OMWRBINMCUODNU-DOTOQJQBSA-N 0 2 397.460 3.017 20 0 GGADLN CCC[N@@H+](Cc1ccc(F)cc1)CN1C(=O)CN(c2cccc(C(=O)[O-])c2)C1=O ZINC000829496460 601875302 /nfs/dbraw/zinc/87/53/02/601875302.db2.gz BWZBSTVESZUZDL-UHFFFAOYSA-N 0 2 399.422 3.162 20 0 GGADLN CCC[N@H+](Cc1ccc(F)cc1)CN1C(=O)CN(c2cccc(C(=O)[O-])c2)C1=O ZINC000829496460 601875305 /nfs/dbraw/zinc/87/53/05/601875305.db2.gz BWZBSTVESZUZDL-UHFFFAOYSA-N 0 2 399.422 3.162 20 0 GGADLN O=C([O-])c1cccc(N2CC(=O)N(C[N@@H+]3CCC[C@H]3c3cccc(F)c3)C2=O)c1 ZINC000833330278 601876346 /nfs/dbraw/zinc/87/63/46/601876346.db2.gz QIJHNSMREVEHEA-SFHVURJKSA-N 0 2 397.406 3.087 20 0 GGADLN O=C([O-])c1cccc(N2CC(=O)N(C[N@H+]3CCC[C@H]3c3cccc(F)c3)C2=O)c1 ZINC000833330278 601876349 /nfs/dbraw/zinc/87/63/49/601876349.db2.gz QIJHNSMREVEHEA-SFHVURJKSA-N 0 2 397.406 3.087 20 0 GGADLN C[C@H]1CCC[N@H+](Cc2csc(NC(=O)NCc3cccc(C(=O)[O-])c3)n2)C1 ZINC000669493868 601885371 /nfs/dbraw/zinc/88/53/71/601885371.db2.gz JPKHJSOJLVXVDA-ZDUSSCGKSA-N 0 2 388.493 3.395 20 0 GGADLN C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)NCc3cccc(C(=O)[O-])c3)n2)C1 ZINC000669493868 601885373 /nfs/dbraw/zinc/88/53/73/601885373.db2.gz JPKHJSOJLVXVDA-ZDUSSCGKSA-N 0 2 388.493 3.395 20 0 GGADLN C[C@@]1(C(=O)[O-])CC[N@H+](Cn2nc(-c3ccc(Br)cc3)oc2=S)C1 ZINC000828029044 601888841 /nfs/dbraw/zinc/88/88/41/601888841.db2.gz NXYKYHBRDOZCOC-OAHLLOKOSA-N 0 2 398.282 3.389 20 0 GGADLN C[C@@]1(C(=O)[O-])CC[N@@H+](Cn2nc(-c3ccc(Br)cc3)oc2=S)C1 ZINC000828029044 601888844 /nfs/dbraw/zinc/88/88/44/601888844.db2.gz NXYKYHBRDOZCOC-OAHLLOKOSA-N 0 2 398.282 3.389 20 0 GGADLN C[C@]1(C(=O)[O-])CC[N@H+](Cn2nc(-c3ccco3)n(Cc3ccccc3)c2=S)C1 ZINC000828029339 601891363 /nfs/dbraw/zinc/89/13/63/601891363.db2.gz ZAEATEKQPBPJBM-FQEVSTJZSA-N 0 2 398.488 3.476 20 0 GGADLN C[C@]1(C(=O)[O-])CC[N@@H+](Cn2nc(-c3ccco3)n(Cc3ccccc3)c2=S)C1 ZINC000828029339 601891366 /nfs/dbraw/zinc/89/13/66/601891366.db2.gz ZAEATEKQPBPJBM-FQEVSTJZSA-N 0 2 398.488 3.476 20 0 GGADLN O=C([O-])C[C@H]1CSCC[N@@H+]1Cc1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000574212900 601891890 /nfs/dbraw/zinc/89/18/90/601891890.db2.gz HFVNEPJCHLXUNG-LBPRGKRZSA-N 0 2 387.383 3.148 20 0 GGADLN O=C([O-])C[C@H]1CSCC[N@H+]1Cc1nc(-c2cccc(C(F)(F)F)c2)no1 ZINC000574212900 601891891 /nfs/dbraw/zinc/89/18/91/601891891.db2.gz HFVNEPJCHLXUNG-LBPRGKRZSA-N 0 2 387.383 3.148 20 0 GGADLN Cc1ccc(-c2noc(CN3CC[NH+](Cc4ccc(C(=O)[O-])s4)CC3)n2)cc1 ZINC000832910205 601939138 /nfs/dbraw/zinc/93/91/38/601939138.db2.gz TVFLAQNKRRWAFA-UHFFFAOYSA-N 0 2 398.488 3.123 20 0 GGADLN O=C([O-])[C@H]([NH2+]CC(=O)N1CCc2ccccc2C1)c1cc(Cl)cc(Cl)c1 ZINC000833168319 601975502 /nfs/dbraw/zinc/97/55/02/601975502.db2.gz WNKURGLKJXUQRZ-GOSISDBHSA-N 0 2 393.270 3.294 20 0 GGADLN O=C([O-])[C@@H]([NH2+]Cc1cn(-c2ccccc2)nn1)c1cc(Cl)cc(Cl)c1 ZINC000833169412 601978983 /nfs/dbraw/zinc/97/89/83/601978983.db2.gz ICRLIGHHIPMPJV-INIZCTEOSA-N 0 2 377.231 3.490 20 0 GGADLN O=C([O-])Nc1cc(C(=O)NCc2cn3c([nH+]2)CCCC3)cc(C(F)(F)F)c1 ZINC000833281814 601994459 /nfs/dbraw/zinc/99/44/59/601994459.db2.gz PCWZWLRRKISDKN-UHFFFAOYSA-N 0 2 382.342 3.258 20 0 GGADLN O=C([O-])Nc1cc(C(=O)N2CCC[C@H](n3cc[nH+]c3)C2)cc(C(F)(F)F)c1 ZINC000833280901 601999763 /nfs/dbraw/zinc/99/97/63/601999763.db2.gz CPIMYSISWNAYLH-AWEZNQCLSA-N 0 2 382.342 3.469 20 0 GGADLN C[C@@H]1C[NH+](Cc2ccccc2NC(=O)NCc2cccc(C(=O)[O-])c2)C[C@@H](C)O1 ZINC000669496276 602032662 /nfs/dbraw/zinc/03/26/62/602032662.db2.gz PBFDADDBMIJYPW-HZPDHXFCSA-N 0 2 397.475 3.316 20 0 GGADLN O=C([O-])Nc1cc(C(=O)NCc2ccn3cc[nH+]c3c2)cc(C(F)(F)F)c1 ZINC000833281883 602050606 /nfs/dbraw/zinc/05/06/06/602050606.db2.gz QBEWLFDBYZLIOA-UHFFFAOYSA-N 0 2 378.310 3.373 20 0 GGADLN CC[N@@H+]1CCc2nc3ccccc3c(C(=O)Nc3cccc(CC(=O)[O-])c3)c2C1 ZINC000737855768 602076447 /nfs/dbraw/zinc/07/64/47/602076447.db2.gz FAMBZCRGBOAKKQ-UHFFFAOYSA-N 0 2 389.455 3.492 20 0 GGADLN CC[N@H+]1CCc2nc3ccccc3c(C(=O)Nc3cccc(CC(=O)[O-])c3)c2C1 ZINC000737855768 602076449 /nfs/dbraw/zinc/07/64/49/602076449.db2.gz FAMBZCRGBOAKKQ-UHFFFAOYSA-N 0 2 389.455 3.492 20 0 GGADLN O=C([O-])c1ccc(OCc2ccccc2)c(NC(=O)NCCCn2cc[nH+]c2)c1 ZINC000833138787 602111626 /nfs/dbraw/zinc/11/16/26/602111626.db2.gz OXUUSAJJMFNVHM-UHFFFAOYSA-N 0 2 394.431 3.372 20 0 GGADLN CCn1c(-c2cccnc2)nn(C[N@H+](CCC(=O)[O-])Cc2ccccc2)c1=S ZINC000830408279 602191557 /nfs/dbraw/zinc/19/15/57/602191557.db2.gz SPWMYIYQRQMXKH-UHFFFAOYSA-N 0 2 397.504 3.430 20 0 GGADLN CCn1c(-c2cccnc2)nn(C[N@@H+](CCC(=O)[O-])Cc2ccccc2)c1=S ZINC000830408279 602191560 /nfs/dbraw/zinc/19/15/60/602191560.db2.gz SPWMYIYQRQMXKH-UHFFFAOYSA-N 0 2 397.504 3.430 20 0 GGADLN C[C@H]1C[N@H+](Cn2nc(-c3ccccn3)n(-c3ccccc3)c2=S)C[C@@H]1C(=O)[O-] ZINC000828464361 602198349 /nfs/dbraw/zinc/19/83/49/602198349.db2.gz UDPNLJBQOIKVDK-HOCLYGCPSA-N 0 2 395.488 3.075 20 0 GGADLN C[C@H]1C[N@@H+](Cn2nc(-c3ccccn3)n(-c3ccccc3)c2=S)C[C@@H]1C(=O)[O-] ZINC000828464361 602198351 /nfs/dbraw/zinc/19/83/51/602198351.db2.gz UDPNLJBQOIKVDK-HOCLYGCPSA-N 0 2 395.488 3.075 20 0 GGADLN O=C([O-])COc1ccc(NC(=O)N2CCC[C@@H](c3[nH]cc[nH+]3)C2)c2ccccc12 ZINC000833256330 602223036 /nfs/dbraw/zinc/22/30/36/602223036.db2.gz 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O=C([O-])C1CCC(NC(=O)N[C@@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)CC1 ZINC000263454564 604275290 /nfs/dbraw/zinc/27/52/90/604275290.db2.gz GZJQSXQSIGOIOH-YVZJPGBNSA-N 0 2 382.464 3.054 20 0 GGADLN O=C([O-])C1CCC(NC(=O)N[C@@H]2c3ccccc3CC[C@H]2n2cc[nH+]c2)CC1 ZINC000263454562 604275444 /nfs/dbraw/zinc/27/54/44/604275444.db2.gz GZJQSXQSIGOIOH-LRMJVLKBSA-N 0 2 382.464 3.054 20 0 GGADLN C[C@@H]1CN(c2ccc(C(=O)[O-])cc2)CC[N@@H+]1Cc1csc(N(C)C2CC2)n1 ZINC000828495314 604336968 /nfs/dbraw/zinc/33/69/68/604336968.db2.gz VOYZNOVKBGSGLD-CQSZACIVSA-N 0 2 386.521 3.151 20 0 GGADLN C[C@@H]1CN(c2ccc(C(=O)[O-])cc2)CC[N@H+]1Cc1csc(N(C)C2CC2)n1 ZINC000828495314 604336970 /nfs/dbraw/zinc/33/69/70/604336970.db2.gz VOYZNOVKBGSGLD-CQSZACIVSA-N 0 2 386.521 3.151 20 0 GGADLN O=C([O-])[C@H](c1cccc(Cl)c1)[NH+]1CCN(C(=O)c2cccc(F)c2F)CC1 ZINC000833173250 604342035 /nfs/dbraw/zinc/34/20/35/604342035.db2.gz PRDRXXPWWUPELV-KRWDZBQOSA-N 0 2 394.805 3.202 20 0 GGADLN 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BKLLXSBVZUWKID-UHFFFAOYSA-N 0 2 387.505 3.462 20 0 GGADLN Cc1ccc(NC(=O)Cc2nc(C[N@H+](C)C3(C(=O)[O-])CCCC3)cs2)cc1 ZINC000832943644 604464423 /nfs/dbraw/zinc/46/44/23/604464423.db2.gz BKLLXSBVZUWKID-UHFFFAOYSA-N 0 2 387.505 3.462 20 0 GGADLN COC(=O)[C@H](c1cccc(C(=O)[O-])c1)[NH+]1CCC(OCCc2ccccc2)CC1 ZINC000833700678 604473636 /nfs/dbraw/zinc/47/36/36/604473636.db2.gz DUTDCOUXRYWBMU-NRFANRHFSA-N 0 2 397.471 3.323 20 0 GGADLN COC(=O)[C@@H](c1cccc(C(=O)[O-])c1)[NH+]1CCC(O)(c2cccc(C)c2C)CC1 ZINC000833701667 604479624 /nfs/dbraw/zinc/47/96/24/604479624.db2.gz MDNLBWOQEXLTQT-HXUWFJFHSA-N 0 2 397.471 3.199 20 0 GGADLN Cc1cccc([C@H]2CCC[N@@H+]2CC(=O)Nc2sc3c(c2C(=O)[O-])CCC3)n1 ZINC000832967556 604497315 /nfs/dbraw/zinc/49/73/15/604497315.db2.gz HUDTZEFQQILXBJ-OAHLLOKOSA-N 0 2 385.489 3.414 20 0 GGADLN Cc1cccc([C@H]2CCC[N@H+]2CC(=O)Nc2sc3c(c2C(=O)[O-])CCC3)n1 ZINC000832967556 604497320 /nfs/dbraw/zinc/49/73/20/604497320.db2.gz HUDTZEFQQILXBJ-OAHLLOKOSA-N 0 2 385.489 3.414 20 0 GGADLN C[C@@H]1CCc2c(sc(NC(=O)C[NH+]3CCC(C(F)F)CC3)c2C(=O)[O-])C1 ZINC000828310212 604507610 /nfs/dbraw/zinc/50/76/10/604507610.db2.gz LBIQKPJBHOPEEK-SNVBAGLBSA-N 0 2 386.464 3.487 20 0 GGADLN Cc1cccn2cc(CCNC(=O)N[C@@H](c3ccccc3)C(C)(C)C(=O)[O-])[nH+]c12 ZINC000832981924 604508425 /nfs/dbraw/zinc/50/84/25/604508425.db2.gz NXGILJPDUGFGAM-SFHVURJKSA-N 0 2 394.475 3.337 20 0 GGADLN O=C([O-])C[C@H]1CCCN1C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000833211397 604514960 /nfs/dbraw/zinc/51/49/60/604514960.db2.gz RRSZALQZAPYAMI-HZPDHXFCSA-N 0 2 397.878 3.092 20 0 GGADLN O=C([O-])C[C@H]1CCCN1C(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000833211397 604514964 /nfs/dbraw/zinc/51/49/64/604514964.db2.gz RRSZALQZAPYAMI-HZPDHXFCSA-N 0 2 397.878 3.092 20 0 GGADLN COc1cc2c(cc1OC)[C@H](CC(=O)[O-])[N@H+](Cc1nn(C)c3ccccc13)CC2 ZINC000833730230 604520964 /nfs/dbraw/zinc/52/09/64/604520964.db2.gz NMKUJTPIOBFGMH-IBGZPJMESA-N 0 2 395.459 3.165 20 0 GGADLN 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C[C@H](NC(=O)NCCc1cccc(C(=O)[O-])c1)c1cccc(-n2cc[nH+]c2)c1 ZINC000833522880 604563881 /nfs/dbraw/zinc/56/38/81/604563881.db2.gz SZFQUTWHQMVDPO-HNNXBMFYSA-N 0 2 378.432 3.173 20 0 GGADLN Cn1cc[nH+]c1[C@@H]1CCN(C(=O)c2cc(NC(=O)[O-])cc(C(F)(F)F)c2)C1 ZINC000833759816 604578960 /nfs/dbraw/zinc/57/89/60/604578960.db2.gz ITWDJIJTUUWQBB-SNVBAGLBSA-N 0 2 382.342 3.159 20 0 GGADLN C[C@H](Oc1ccc(C[N@@H+]2CCCC[C@H]2c2nnc3n2CCCC3)cc1)C(=O)[O-] ZINC000833544092 604623102 /nfs/dbraw/zinc/62/31/02/604623102.db2.gz WUNJWLVIUYAOQB-YJBOKZPZSA-N 0 2 384.480 3.194 20 0 GGADLN C[C@H](Oc1ccc(C[N@H+]2CCCC[C@H]2c2nnc3n2CCCC3)cc1)C(=O)[O-] ZINC000833544092 604623105 /nfs/dbraw/zinc/62/31/05/604623105.db2.gz WUNJWLVIUYAOQB-YJBOKZPZSA-N 0 2 384.480 3.194 20 0 GGADLN C[C@@H](Oc1ccc(C[N@@H+]2CCCC[C@@H]2c2nnc3n2CCCC3)cc1)C(=O)[O-] ZINC000833544089 604623235 /nfs/dbraw/zinc/62/32/35/604623235.db2.gz WUNJWLVIUYAOQB-CRAIPNDOSA-N 0 2 384.480 3.194 20 0 GGADLN C[C@@H](Oc1ccc(C[N@H+]2CCCC[C@@H]2c2nnc3n2CCCC3)cc1)C(=O)[O-] ZINC000833544089 604623237 /nfs/dbraw/zinc/62/32/37/604623237.db2.gz WUNJWLVIUYAOQB-CRAIPNDOSA-N 0 2 384.480 3.194 20 0 GGADLN CN(CCCn1cc[nH+]c1)c1cc(C(=O)[O-])nc2ccc(Br)cc21 ZINC000830781138 604644954 /nfs/dbraw/zinc/64/49/54/604644954.db2.gz KWNROXWBLVXAJV-UHFFFAOYSA-N 0 2 389.253 3.419 20 0 GGADLN CC[C@@H](c1ccccc1)[N@H+](CC(=O)[O-])CC(=O)Nc1cccc(NC(C)=O)c1 ZINC000829025382 604649593 /nfs/dbraw/zinc/64/95/93/604649593.db2.gz BLYLAUGNTHRCDS-IBGZPJMESA-N 0 2 383.448 3.121 20 0 GGADLN CC[C@@H](c1ccccc1)[N@@H+](CC(=O)[O-])CC(=O)Nc1cccc(NC(C)=O)c1 ZINC000829025382 604649594 /nfs/dbraw/zinc/64/95/94/604649594.db2.gz BLYLAUGNTHRCDS-IBGZPJMESA-N 0 2 383.448 3.121 20 0 GGADLN CC[C@H](c1ccccc1)[N@H+](CC(=O)[O-])CC(=O)Nc1ccc(NC(C)=O)cc1 ZINC000829028753 604654070 /nfs/dbraw/zinc/65/40/70/604654070.db2.gz YHNYQOBGJAVTNQ-LJQANCHMSA-N 0 2 383.448 3.121 20 0 GGADLN CC[C@H](c1ccccc1)[N@@H+](CC(=O)[O-])CC(=O)Nc1ccc(NC(C)=O)cc1 ZINC000829028753 604654072 /nfs/dbraw/zinc/65/40/72/604654072.db2.gz YHNYQOBGJAVTNQ-LJQANCHMSA-N 0 2 383.448 3.121 20 0 GGADLN Cc1cc(C)n2c(nn(C[N@H+](CCCC(=O)[O-])Cc3ccccc3)c2=S)n1 ZINC000832880202 604764121 /nfs/dbraw/zinc/76/41/21/604764121.db2.gz DRWJDMOGIBDDKQ-UHFFFAOYSA-N 0 2 385.493 3.202 20 0 GGADLN Cc1cc(C)n2c(nn(C[N@@H+](CCCC(=O)[O-])Cc3ccccc3)c2=S)n1 ZINC000832880202 604764125 /nfs/dbraw/zinc/76/41/25/604764125.db2.gz DRWJDMOGIBDDKQ-UHFFFAOYSA-N 0 2 385.493 3.202 20 0 GGADLN Cn1c(-c2cccnc2)nn(C[N@H+](CCCC(=O)[O-])Cc2ccccc2)c1=S ZINC000833037967 604764330 /nfs/dbraw/zinc/76/43/30/604764330.db2.gz YSPSUPDETFMYKG-UHFFFAOYSA-N 0 2 397.504 3.338 20 0 GGADLN Cn1c(-c2cccnc2)nn(C[N@@H+](CCCC(=O)[O-])Cc2ccccc2)c1=S ZINC000833037967 604764333 /nfs/dbraw/zinc/76/43/33/604764333.db2.gz YSPSUPDETFMYKG-UHFFFAOYSA-N 0 2 397.504 3.338 20 0 GGADLN CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)Cc1cccc(C(=O)[O-])c1 ZINC000833654602 604765758 /nfs/dbraw/zinc/76/57/58/604765758.db2.gz WWAKWESMXCIGGH-UHFFFAOYSA-N 0 2 381.476 3.087 20 0 GGADLN Cn1cc[nH+]c1C[C@@H](NC(=O)CCc1ccccc1C(=O)[O-])c1ccccc1 ZINC000833759782 604766532 /nfs/dbraw/zinc/76/65/32/604766532.db2.gz HWZMNVZYGLPEOF-LJQANCHMSA-N 0 2 377.444 3.151 20 0 GGADLN O=C([O-])[C@H]([NH2+][C@H]1CCCN(CC(F)(F)F)C1=O)c1cc(Cl)cc(Cl)c1 ZINC000833168672 604777316 /nfs/dbraw/zinc/77/73/16/604777316.db2.gz ZBWDABOMNHSSOQ-NWDGAFQWSA-N 0 2 399.196 3.262 20 0 GGADLN CC(C)c1cnc(C[N@H+](C)[C@@H]2CCN(C(=O)CCc3ccccc3C(=O)[O-])C2)o1 ZINC000833511199 604783013 /nfs/dbraw/zinc/78/30/13/604783013.db2.gz FPURMUFOABCAMO-QGZVFWFLSA-N 0 2 399.491 3.162 20 0 GGADLN CC(C)c1cnc(C[N@@H+](C)[C@@H]2CCN(C(=O)CCc3ccccc3C(=O)[O-])C2)o1 ZINC000833511199 604783017 /nfs/dbraw/zinc/78/30/17/604783017.db2.gz FPURMUFOABCAMO-QGZVFWFLSA-N 0 2 399.491 3.162 20 0 GGADLN CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)Cc1ccccc1C(=O)[O-] ZINC000833654679 604787859 /nfs/dbraw/zinc/78/78/59/604787859.db2.gz ZSDKYQTXBPCNCV-UHFFFAOYSA-N 0 2 381.476 3.087 20 0 GGADLN 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COc1ccc(OC)c(S(=O)(=O)Nc2ccccc2NC(=O)NC(C)C)c1 ZINC000047383611 1404822485 /nfs/dbraw/zinc/82/24/85/1404822485.db2.gz HAAFSMAEDOZJSH-UHFFFAOYSA-N 0 2 393.465 3.035 20 0 GGADLN N#C[C@@H](C(=O)CCc1ccccc1F)c1nc(N)nc(Nc2ccccc2)n1 ZINC000049393010 1405374970 /nfs/dbraw/zinc/37/49/70/1405374970.db2.gz ZKHPZBRQAOEIMG-HNNXBMFYSA-N 0 2 376.395 3.146 20 0 GGADLN N#CC(C(=O)Cc1ccc2c(c1)CCCC2)c1nc(N)nc(Nc2ccccc2)n1 ZINC000049392985 1405375619 /nfs/dbraw/zinc/37/56/19/1405375619.db2.gz ULUCUBUWDZOVLL-LJQANCHMSA-N 0 2 398.470 3.495 20 0 GGADLN N#C[C@H](C(=O)Cc1ccc2c(c1)CCCC2)c1nc(N)nc(Nc2ccccc2)n1 ZINC000049392985 1405375626 /nfs/dbraw/zinc/37/56/26/1405375626.db2.gz ULUCUBUWDZOVLL-LJQANCHMSA-N 0 2 398.470 3.495 20 0 GGADLN O=C(CSc1nnc(C2CC2)n1Cc1ccco1)NOCc1ccccc1 ZINC000049775902 1405414502 /nfs/dbraw/zinc/41/45/02/1405414502.db2.gz XLHHAJNLUQTFAF-UHFFFAOYSA-N 0 2 384.461 3.137 20 0 GGADLN Cc1noc(C)c1C(=O)NNC(=O)c1cc2c(C)nn(-c3ccccc3)c2s1 ZINC000049936687 1405431564 /nfs/dbraw/zinc/43/15/64/1405431564.db2.gz OONIGUGGNXODIB-UHFFFAOYSA-N 0 2 395.444 3.075 20 0 GGADLN COC(=O)c1ccc(S(=O)(=O)Nc2cnc(-c3ccccc3)nc2)c(C)c1 ZINC000050531325 1405594742 /nfs/dbraw/zinc/59/47/42/1405594742.db2.gz MXLYKGKMLSGYPI-UHFFFAOYSA-N 0 2 383.429 3.039 20 0 GGADLN COC(=O)c1ccc(S(=O)(=O)Nc2cc(OC)c(Cl)cc2OC)c(C)c1 ZINC000050530973 1405594778 /nfs/dbraw/zinc/59/47/78/1405594778.db2.gz WMGBTGRPSRSNTD-UHFFFAOYSA-N 0 2 399.852 3.253 20 0 GGADLN CC[C@H]1CCCCN1C(=O)c1ccc2c(c1)[nH]c(=S)n(CCCOC)c2=O ZINC000050823368 1405664494 /nfs/dbraw/zinc/66/44/94/1405664494.db2.gz OGANHYAOBBLZQQ-HNNXBMFYSA-N 0 2 389.521 3.126 20 0 GGADLN COc1ccc(S[C@H](C)C(=O)N(C)Cc2nc(=O)c3sccc3[nH]2)cc1 ZINC000051184170 1405740024 /nfs/dbraw/zinc/74/00/24/1405740024.db2.gz NKVCEJQAOFSEGQ-LLVKDONJSA-N 0 2 389.502 3.132 20 0 GGADLN CCn1c(CCNC(=O)C2=NN(c3ccc(F)cc3)CC2=O)nc2ccccc21 ZINC000176282200 1428220637 /nfs/dbraw/zinc/22/06/37/1428220637.db2.gz RCUAKLYCHRRSMB-UHFFFAOYSA-N 0 2 393.422 3.059 20 0 GGADLN COc1ccc([C@H]2CCN(C(=O)C3=NN(c4ccc(F)cc4)CC3=O)C2)cc1 ZINC000176284673 1428221285 /nfs/dbraw/zinc/22/12/85/1428221285.db2.gz VZXAVABABNMQHE-HNNXBMFYSA-N 0 2 381.407 3.355 20 0 GGADLN Cc1cc(F)ccc1N1CC(=O)C(C(=O)N(C)Cc2nc3ccccc3n2C)=N1 ZINC000176285342 1428221894 /nfs/dbraw/zinc/22/18/94/1428221894.db2.gz LXLWUKMDIKONPM-UHFFFAOYSA-N 0 2 393.422 3.184 20 0 GGADLN C[C@H](NC(=O)C1=NN(c2ccc(F)cc2)CC1=O)c1nc2ccccc2n1C ZINC000176300497 1428229366 /nfs/dbraw/zinc/22/93/66/1428229366.db2.gz QVBBKTDCJIHENG-LBPRGKRZSA-N 0 2 379.395 3.095 20 0 GGADLN O=C(NNC(=O)c1ccc(Cl)nc1)c1cc(-c2ccccc2Cl)on1 ZINC000056872409 1407461604 /nfs/dbraw/zinc/46/16/04/1407461604.db2.gz APLKCMORDSYTFA-UHFFFAOYSA-N 0 2 377.187 3.118 20 0 GGADLN CCOC(=O)N(C)c1ccc(NS(=O)(=O)c2ccc(F)c(F)c2F)cc1 ZINC000057122487 1407526226 /nfs/dbraw/zinc/52/62/26/1407526226.db2.gz KEXCNIVPXXYFPS-UHFFFAOYSA-N 0 2 388.367 3.497 20 0 GGADLN Cc1ccc(NS(=O)(=O)c2ccc(Cl)nc2)c(OC[C@@H]2CCCO2)c1 ZINC000057123859 1407527121 /nfs/dbraw/zinc/52/71/21/1407527121.db2.gz FWPNUNPBOQOHGE-ZDUSSCGKSA-N 0 2 382.869 3.402 20 0 GGADLN COc1ccccc1S(=O)(=O)Nc1ccccc1OC[C@@H]1CCCCO1 ZINC000057124658 1407528563 /nfs/dbraw/zinc/52/85/63/1407528563.db2.gz NSHDGZVPOVXEPB-HNNXBMFYSA-N 0 2 377.462 3.444 20 0 GGADLN O=C(CCCc1ccccc1)NNC(=O)c1cnn2c1nccc2-c1ccccc1 ZINC000057691580 1407685352 /nfs/dbraw/zinc/68/53/52/1407685352.db2.gz MYDQYFSHNDFJBM-UHFFFAOYSA-N 0 2 399.454 3.180 20 0 GGADLN O=S(=O)(Nc1nc(-c2ccc3c(c2)OCO3)cs1)c1cccc(Cl)c1 ZINC000057702305 1407692188 /nfs/dbraw/zinc/69/21/88/1407692188.db2.gz HVFFPLJDSKSJJQ-UHFFFAOYSA-N 0 2 394.861 3.415 20 0 GGADLN COc1ccc(-c2csc(NS(=O)(=O)c3cccc(C)c3)n2)cc1OC ZINC000057719705 1407698546 /nfs/dbraw/zinc/69/85/46/1407698546.db2.gz NKGVKFQXPOYWGT-UHFFFAOYSA-N 0 2 390.486 3.358 20 0 GGADLN Cc1cc2sc(NS(=O)(=O)c3ccc4c(c3)OCCCO4)nc2c(C)c1 ZINC000057724546 1407699895 /nfs/dbraw/zinc/69/98/95/1407699895.db2.gz NAOBPTWTGNEIET-UHFFFAOYSA-N 0 2 390.486 3.297 20 0 GGADLN O=[N+]([O-])c1ccccc1S(=O)(=O)Nc1nc2c(cc(F)c(F)c2F)s1 ZINC000057733829 1407703416 /nfs/dbraw/zinc/70/34/16/1407703416.db2.gz HYFOTSQNAMMJBI-UHFFFAOYSA-N 0 2 389.336 3.423 20 0 GGADLN O=C(OC/C=C/Cl)c1ccccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1 ZINC000058857717 1407890059 /nfs/dbraw/zinc/89/00/59/1407890059.db2.gz QRGVQDIBBUWGBR-RUDMXATFSA-N 0 2 396.808 3.305 20 0 GGADLN CCOC(=O)N=c1[nH]c2ccc(NC(=O)c3ccc4[nH]nnc4c3)cc2s1 ZINC000058922135 1407899910 /nfs/dbraw/zinc/89/99/10/1407899910.db2.gz CFYKUQRPIWDEGE-UHFFFAOYSA-N 0 2 382.405 3.388 20 0 GGADLN CC[C@@H]([NH2+][C@@H](C)c1ccc(-c2nnn[n-]2)c(F)c1)c1nnc2n1CCCCC2 ZINC000825141063 1428273791 /nfs/dbraw/zinc/27/37/91/1428273791.db2.gz NCNMKFGGTLAHCE-BLLLJJGKSA-N 0 2 384.463 3.126 20 0 GGADLN O=S(=O)(Nc1ccc2[nH]c([C@H]3CCCO3)nc2c1)c1cc(F)ccc1F ZINC000060062892 1407936046 /nfs/dbraw/zinc/93/60/46/1407936046.db2.gz ZCLKEHFVKUMEOF-OAHLLOKOSA-N 0 2 379.388 3.493 20 0 GGADLN O=S(=O)(Nc1ccc2[nH]c([C@@H]3CCCO3)nc2c1)c1ccc(F)cc1F ZINC000060062877 1407936348 /nfs/dbraw/zinc/93/63/48/1407936348.db2.gz FNKZYBXGRKZKCP-HNNXBMFYSA-N 0 2 379.388 3.493 20 0 GGADLN O=C(CCOc1ccccc1)NNC(=O)c1cc(-c2ccccc2Cl)on1 ZINC000061476328 1408135947 /nfs/dbraw/zinc/13/59/47/1408135947.db2.gz YKWKQEUXXLREAW-UHFFFAOYSA-N 0 2 385.807 3.225 20 0 GGADLN O=C(NNC(=O)c1cc2ccccc2cc1O)c1csc(-c2ccccn2)n1 ZINC000061620517 1408153159 /nfs/dbraw/zinc/15/31/59/1408153159.db2.gz IRWDJVGQSDEBJB-UHFFFAOYSA-N 0 2 390.424 3.139 20 0 GGADLN COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(Br)nc1 ZINC000062194189 1408217004 /nfs/dbraw/zinc/21/70/04/1408217004.db2.gz WJTOXNWOILBEFU-UHFFFAOYSA-N 0 2 377.647 3.307 20 0 GGADLN CCOc1ccc(NS(=O)(=O)c2cc(C(=O)OC)ccc2F)cc1Cl ZINC000063177690 1408312082 /nfs/dbraw/zinc/31/20/82/1408312082.db2.gz GGJMKZGTEKCZFA-UHFFFAOYSA-N 0 2 387.816 3.465 20 0 GGADLN CCCC(=O)Nc1cccc(NS(=O)(=O)c2ccsc2C(=O)OC)c1C ZINC000063181231 1408312427 /nfs/dbraw/zinc/31/24/27/1408312427.db2.gz KNUJFMPOMOILBS-UHFFFAOYSA-N 0 2 396.490 3.383 20 0 GGADLN COC(=O)c1ccc(OC(C)C)c(NS(=O)(=O)c2ccccc2OC)c1 ZINC000063635851 1408384389 /nfs/dbraw/zinc/38/43/89/1408384389.db2.gz PCRSQCOGKSSATC-UHFFFAOYSA-N 0 2 379.434 3.070 20 0 GGADLN COC(=O)c1ccc(Cl)c(S(=O)(=O)Nc2ccc(C)c3c[nH]nc32)c1 ZINC000063635390 1408384578 /nfs/dbraw/zinc/38/45/78/1408384578.db2.gz XQNPYLJZOCKSNJ-UHFFFAOYSA-N 0 2 379.825 3.112 20 0 GGADLN Cc1ccc(NS(=O)(=O)c2ccc3c4c(cccc42)C(=O)N3)c2n[nH]cc21 ZINC000063635268 1408384653 /nfs/dbraw/zinc/38/46/53/1408384653.db2.gz UDZAQWNGNQTBEM-UHFFFAOYSA-N 0 2 378.413 3.391 20 0 GGADLN COc1cc(C(=O)NNC(=O)c2csc(CC(C)C)n2)ccc1OC(C)C ZINC000063636419 1408384688 /nfs/dbraw/zinc/38/46/88/1408384688.db2.gz SWLAZNJSNGXMNO-UHFFFAOYSA-N 0 2 391.493 3.212 20 0 GGADLN CC(C)OCc1cccc(NS(=O)(=O)c2cc3c(cc2F)NC(=O)CC3)c1 ZINC000063849200 1408427150 /nfs/dbraw/zinc/42/71/50/1408427150.db2.gz ZZAFOYXJQZJSEI-UHFFFAOYSA-N 0 2 392.452 3.436 20 0 GGADLN Cc1oc(-c2cccs2)nc1C(=O)NNC(=O)c1cccc2cccnc21 ZINC000064501009 1408569256 /nfs/dbraw/zinc/56/92/56/1408569256.db2.gz QXZAPAGFDRWAGH-UHFFFAOYSA-N 0 2 378.413 3.335 20 0 GGADLN O=C(NNC(=O)c1cccc2cccnc21)c1cc(-c2ccccc2F)on1 ZINC000064501615 1408569396 /nfs/dbraw/zinc/56/93/96/1408569396.db2.gz UVIFDJXOXPLOEC-UHFFFAOYSA-N 0 2 376.347 3.104 20 0 GGADLN CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)c1ccc(F)c(C(F)(F)F)c1 ZINC000064621491 1408587608 /nfs/dbraw/zinc/58/76/08/1408587608.db2.gz JECDFTAHZCSVLX-UHFFFAOYSA-N 0 2 385.342 3.415 20 0 GGADLN CCc1ncc(C(=O)NNC(=O)[C@H](C)Oc2c(C)cc(Cl)cc2C)s1 ZINC000065095092 1408645236 /nfs/dbraw/zinc/64/52/36/1408645236.db2.gz OQNPZAGCHQRQOU-NSHDSACASA-N 0 2 381.885 3.204 20 0 GGADLN CNC(=O)c1ccccc1NC(=O)c1[nH]nc(-c2ccccc2)c1Br ZINC000065106117 1408645774 /nfs/dbraw/zinc/64/57/74/1408645774.db2.gz QOGRGWKFTZPEQR-UHFFFAOYSA-N 0 2 399.248 3.451 20 0 GGADLN O=C(NCCc1cccs1)NNC(=O)c1cc(-c2ccccc2Cl)on1 ZINC000065199577 1408651785 /nfs/dbraw/zinc/65/17/85/1408651785.db2.gz NSEJNSYDZQXGIL-UHFFFAOYSA-N 0 2 390.852 3.243 20 0 GGADLN CC(=O)Nc1nc(C(=O)Nc2nc(-c3cccc4ccccc43)n[nH]2)cs1 ZINC000065514657 1408682031 /nfs/dbraw/zinc/68/20/31/1408682031.db2.gz QHDWOQOLIIXBOO-UHFFFAOYSA-N 0 2 378.417 3.292 20 0 GGADLN COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)S(=O)(=O)CC=Cc2ccccc2)c1C ZINC000065516834 1408682633 /nfs/dbraw/zinc/68/26/33/1408682633.db2.gz WPAUSTUAGJRZPJ-SHQCLWGWSA-N 0 2 389.473 3.118 20 0 GGADLN COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)S(=O)(=O)Cc2ccccc2Cl)c1C ZINC000065520030 1408683287 /nfs/dbraw/zinc/68/32/87/1408683287.db2.gz FAGFYIHIYNHJJE-LBPRGKRZSA-N 0 2 397.880 3.258 20 0 GGADLN O=C(Nc1ccc(N2CCOCC2)cc1C(F)(F)F)c1ccc2[nH]nnc2c1 ZINC000065797529 1408731611 /nfs/dbraw/zinc/73/16/11/1408731611.db2.gz CFCLJKYXFROJTD-UHFFFAOYSA-N 0 2 391.353 3.066 20 0 GGADLN CC(C)c1ccccc1NC(=S)NNC(=O)c1ccc(Cn2cccn2)o1 ZINC000066122612 1408782311 /nfs/dbraw/zinc/78/23/11/1408782311.db2.gz HNKOBOBKJUIXNC-UHFFFAOYSA-N 0 2 383.477 3.279 20 0 GGADLN CCC(=O)Nc1ccc(S(=O)(=O)Nc2nc3ccc(OC)cc3s2)cc1 ZINC000066246785 1408795282 /nfs/dbraw/zinc/79/52/82/1408795282.db2.gz LNFVORVCOMJLGO-UHFFFAOYSA-N 0 2 391.474 3.454 20 0 GGADLN COc1ccc(OC)c(-c2csc(NS(=O)(=O)c3cncc(F)c3)n2)c1 ZINC000066247717 1408795420 /nfs/dbraw/zinc/79/54/20/1408795420.db2.gz NTVJARPBCDMTIS-UHFFFAOYSA-N 0 2 395.437 3.162 20 0 GGADLN COC(=O)c1c(C)cccc1S(=O)(=O)Nc1nc(-c2cccnc2)cs1 ZINC000066247555 1408795496 /nfs/dbraw/zinc/79/54/96/1408795496.db2.gz KMAIYNSFXGKLLZ-UHFFFAOYSA-N 0 2 389.458 3.101 20 0 GGADLN COCCc1ccc(S(=O)(=O)Nc2nc3c(s2)C(=O)CC(C)(C)C3)cc1 ZINC000066247101 1408795523 /nfs/dbraw/zinc/79/55/23/1408795523.db2.gz OIXWSDUKEDOECJ-UHFFFAOYSA-N 0 2 394.518 3.288 20 0 GGADLN N#Cc1ccc(S(=O)(=O)Nc2ccnn2Cc2ccsc2)cc1Cl ZINC000066250168 1408795991 /nfs/dbraw/zinc/79/59/91/1408795991.db2.gz DZFDBOYVYMPWIE-UHFFFAOYSA-N 0 2 378.866 3.319 20 0 GGADLN O=[N+]([O-])c1cc(S(=O)(=O)Nc2ccnn2Cc2ccccc2)ccc1Cl ZINC000066249419 1408796027 /nfs/dbraw/zinc/79/60/27/1408796027.db2.gz PXBKQQGICYBPRI-UHFFFAOYSA-N 0 2 392.824 3.294 20 0 GGADLN 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1433973738 /nfs/dbraw/zinc/97/37/38/1433973738.db2.gz NHZDAQKKBKMBKW-IJLUTSLNSA-N 0 2 392.805 3.479 20 0 GGADLN Cc1cc(C)c(NC(=O)[C@@H](C)[N@H+]2C[C@@H](C(=O)[O-])[C@H](C(F)(F)F)C2)c(Cl)c1 ZINC000262987449 1433973742 /nfs/dbraw/zinc/97/37/42/1433973742.db2.gz NHZDAQKKBKMBKW-IJLUTSLNSA-N 0 2 392.805 3.479 20 0 GGADLN C[C@@H]1CC[C@@H](C(=O)[O-])C[N@H+]1Cc1ncc(Br)cc1Br ZINC000263521642 1434010958 /nfs/dbraw/zinc/01/09/58/1434010958.db2.gz RGJRYFNKGFAUHN-RKDXNWHRSA-N 0 2 392.091 3.292 20 0 GGADLN C[C@@H]1C[C@H](C(=O)[O-])CN(C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)C1 ZINC000263140218 1433989271 /nfs/dbraw/zinc/98/92/71/1433989271.db2.gz OENIPFKZNISMPG-ZBFHGGJFSA-N 0 2 382.464 3.461 20 0 GGADLN CN(C[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1)C(=O)c1ccc(C(=O)[O-])cc1 ZINC000263441506 1434006799 /nfs/dbraw/zinc/00/67/99/1434006799.db2.gz PYCAAIFRLLMECR-HOTGVXAUSA-N 0 2 376.453 3.131 20 0 GGADLN CN(C[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1)C(=O)c1ccc(C(=O)[O-])cc1 ZINC000263441506 1434006803 /nfs/dbraw/zinc/00/68/03/1434006803.db2.gz PYCAAIFRLLMECR-HOTGVXAUSA-N 0 2 376.453 3.131 20 0 GGADLN C[C@H]1CCC[N@H+](Cc2csc(NC(=O)N3C[C@@H]4CCC[C@@]4(C(=O)[O-])C3)n2)C1 ZINC000263488842 1434008545 /nfs/dbraw/zinc/00/85/45/1434008545.db2.gz NUIQBXKUZRHBKL-CKFHNAJUSA-N 0 2 392.525 3.094 20 0 GGADLN C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)N3C[C@@H]4CCC[C@@]4(C(=O)[O-])C3)n2)C1 ZINC000263488842 1434008548 /nfs/dbraw/zinc/00/85/48/1434008548.db2.gz NUIQBXKUZRHBKL-CKFHNAJUSA-N 0 2 392.525 3.094 20 0 GGADLN C[C@@H]1CC[C@@H](C(=O)[O-])C[N@@H+]1Cc1ncc(Br)cc1Br ZINC000263521642 1434010954 /nfs/dbraw/zinc/01/09/54/1434010954.db2.gz RGJRYFNKGFAUHN-RKDXNWHRSA-N 0 2 392.091 3.292 20 0 GGADLN Cc1ccccc1-c1nc(C(=O)NN2C(=O)NC3(CCCCC3)C2=O)cs1 ZINC000263865714 1434043228 /nfs/dbraw/zinc/04/32/28/1434043228.db2.gz JXDKCMHFGYGWLW-UHFFFAOYSA-N 0 2 384.461 3.018 20 0 GGADLN CCCOc1ccc(S(=O)(=O)Nc2ccn(CCc3ccncc3)n2)cc1 ZINC000263941560 1434051114 /nfs/dbraw/zinc/05/11/14/1434051114.db2.gz VJYPQKMZUZDSCN-UHFFFAOYSA-N 0 2 386.477 3.110 20 0 GGADLN O=C(CC[C@H]1CCCCO1)Nc1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000264606200 1434133992 /nfs/dbraw/zinc/13/39/92/1434133992.db2.gz ANXQBSOGJMHVIY-CQSZACIVSA-N 0 2 395.506 3.232 20 0 GGADLN COCCS(=O)(=O)Nc1ccc(NC(=O)OC(C)(C)C)cc1C(F)(F)F ZINC000264630206 1434137120 /nfs/dbraw/zinc/13/71/20/1434137120.db2.gz KPQXINDMTZQQLN-UHFFFAOYSA-N 0 2 398.403 3.441 20 0 GGADLN COc1ccc(NC(C)=O)cc1S(=O)(=O)Nc1ccccc1OCC1CC1 ZINC000265862971 1434274365 /nfs/dbraw/zinc/27/43/65/1434274365.db2.gz HYFDVYRJVFHXFR-UHFFFAOYSA-N 0 2 390.461 3.243 20 0 GGADLN CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)c1ccc(OC2CCOCC2)cc1 ZINC000266038305 1434298837 /nfs/dbraw/zinc/29/88/37/1434298837.db2.gz WXQFBLSDFGLDGW-UHFFFAOYSA-N 0 2 399.472 3.227 20 0 GGADLN CCn1nc(C)c(S(=O)(=O)Nc2cccc(OCc3ccccn3)c2)c1C ZINC000266073008 1434301291 /nfs/dbraw/zinc/30/12/91/1434301291.db2.gz LOMHPRPDAIEFKM-UHFFFAOYSA-N 0 2 386.477 3.295 20 0 GGADLN CCn1cc(S(=O)(=O)Nc2cccc(NC(=O)C3CCCCC3)c2)cn1 ZINC000267494024 1434440610 /nfs/dbraw/zinc/44/06/10/1434440610.db2.gz XCURDDAVWLIQIS-UHFFFAOYSA-N 0 2 376.482 3.223 20 0 GGADLN CCC(CC)c1nnc(NS(=O)(=O)c2cc3c(cc2F)NC(=O)CC3)s1 ZINC000267599945 1434448821 /nfs/dbraw/zinc/44/88/21/1434448821.db2.gz ANYBRSCZYRVDOX-UHFFFAOYSA-N 0 2 398.485 3.266 20 0 GGADLN CCC(CC)c1nnc(NS(=O)(=O)c2cccc(C(=O)NC3CC3)c2)s1 ZINC000267611614 1434449725 /nfs/dbraw/zinc/44/97/25/1434449725.db2.gz CUHDTVUTTICZCZ-UHFFFAOYSA-N 0 2 394.522 3.135 20 0 GGADLN CCCCN(C)C(=O)c1ccccc1S(=O)(=O)Nc1nnc(CCC)s1 ZINC000267636121 1434451787 /nfs/dbraw/zinc/45/17/87/1434451787.db2.gz IOUTXAYKEUNSFN-UHFFFAOYSA-N 0 2 396.538 3.164 20 0 GGADLN O=C(CC[C@@H]1CCCCO1)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000268032863 1434489075 /nfs/dbraw/zinc/48/90/75/1434489075.db2.gz VQAABEDROFBZNH-AWEZNQCLSA-N 0 2 395.506 3.232 20 0 GGADLN CC(C)c1ccc(N2CC(=O)C(C(=O)N3CCC(C4(C)OCCO4)CC3)=N2)cc1 ZINC000268093580 1434494129 /nfs/dbraw/zinc/49/41/29/1434494129.db2.gz LPDQDBGXVJRYLS-UHFFFAOYSA-N 0 2 399.491 3.317 20 0 GGADLN COC(=O)c1c(F)cccc1S(=O)(=O)Nc1cccc(COCC2CC2)c1 ZINC000268143864 1434497502 /nfs/dbraw/zinc/49/75/02/1434497502.db2.gz RWACIBDNXSOMNQ-UHFFFAOYSA-N 0 2 393.436 3.340 20 0 GGADLN O=S(=O)(Nc1ccccc1O[C@H]1CCOC1)c1ccccc1OC(F)F ZINC000268283622 1434508249 /nfs/dbraw/zinc/50/82/49/1434508249.db2.gz BWAUPIVQYGDRST-LBPRGKRZSA-N 0 2 385.388 3.257 20 0 GGADLN COCCC1(C(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)CCC1 ZINC000268412140 1434520241 /nfs/dbraw/zinc/52/02/41/1434520241.db2.gz IICNHLKFMLKMBO-UHFFFAOYSA-N 0 2 395.506 3.089 20 0 GGADLN CC[C@H](C)Oc1cccc(NC(=O)C(=O)NCCc2ccc(Cl)nc2)c1 ZINC000268424484 1434521583 /nfs/dbraw/zinc/52/15/83/1434521583.db2.gz GVPFJHCGRDHKEC-ZDUSSCGKSA-N 0 2 375.856 3.210 20 0 GGADLN CCOC(=O)c1cc(NC(=O)N(C)[C@@H](C)c2ccc(-n3cncn3)cc2)cn1C ZINC000268425395 1434521617 /nfs/dbraw/zinc/52/16/17/1434521617.db2.gz WLJTVUKHBOSGOI-AWEZNQCLSA-N 0 2 396.451 3.007 20 0 GGADLN COCCOC(=O)Nc1cccc(NC(=O)c2cc(OC)c(OC)cc2F)c1 ZINC000268424426 1434521624 /nfs/dbraw/zinc/52/16/24/1434521624.db2.gz HOJGMEOONBAARN-UHFFFAOYSA-N 0 2 392.383 3.290 20 0 GGADLN C[C@H](NC(=O)Nc1ccccc1O[C@@H]1CCOC1)c1ccc2c(c1)CC(=O)N2 ZINC000268425727 1434521629 /nfs/dbraw/zinc/52/16/29/1434521629.db2.gz YIALLJFUPQILTG-XJKSGUPXSA-N 0 2 381.432 3.232 20 0 GGADLN O=C(NC[C@H](O)C1CC1)[C@@H]1CCC(=O)N(Cc2ccccc2)[C@@H]1c1ccccc1 ZINC000268426080 1434521659 /nfs/dbraw/zinc/52/16/59/1434521659.db2.gz RCYOEFLAFSFAHZ-FUPPJEDESA-N 0 2 392.499 3.054 20 0 GGADLN CCOC(=O)c1cc(NC(=O)N(C)[C@H](C)c2ccc(-n3cncn3)cc2)cn1C ZINC000268425411 1434521664 /nfs/dbraw/zinc/52/16/64/1434521664.db2.gz WLJTVUKHBOSGOI-CQSZACIVSA-N 0 2 396.451 3.007 20 0 GGADLN CCc1ccc(-c2noc([C@@H](C)NC(=O)NCCC(=O)N3CCCCC3)n2)cc1 ZINC000268425060 1434521671 /nfs/dbraw/zinc/52/16/71/1434521671.db2.gz AAYUGEQGEZEAOC-OAHLLOKOSA-N 0 2 399.495 3.062 20 0 GGADLN O=C(NC[C@H](O)C1CC1)[C@H]1CCC(=O)N(Cc2ccccc2)[C@@H]1c1ccccc1 ZINC000268426089 1434521681 /nfs/dbraw/zinc/52/16/81/1434521681.db2.gz RCYOEFLAFSFAHZ-QNWVGRARSA-N 0 2 392.499 3.054 20 0 GGADLN COCCC1(C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)CCC1 ZINC000268445740 1434523374 /nfs/dbraw/zinc/52/33/74/1434523374.db2.gz NTUMWKPXIXBJKW-UHFFFAOYSA-N 0 2 395.506 3.089 20 0 GGADLN COCc1nc(S(=O)(=O)[C@H](C)c2nc(C)c(-c3ccc(Cl)cc3)o2)n[nH]1 ZINC000268637440 1434543064 /nfs/dbraw/zinc/54/30/64/1434543064.db2.gz ZIFOYNKTLQFPKK-SNVBAGLBSA-N 0 2 396.856 3.103 20 0 GGADLN CCC(CC)c1nnc(NS(=O)(=O)c2cnn(-c3ccccn3)c2C)s1 ZINC000268732994 1434551061 /nfs/dbraw/zinc/55/10/61/1434551061.db2.gz UKHUAWJCLLXGQT-UHFFFAOYSA-N 0 2 392.510 3.132 20 0 GGADLN O=S(=O)(Nc1ccc(OCc2ccccc2)cc1)c1cnn([C@@H]2CCOC2)c1 ZINC000269697628 1434670126 /nfs/dbraw/zinc/67/01/26/1434670126.db2.gz LMECTAZYUURYBU-GOSISDBHSA-N 0 2 399.472 3.224 20 0 GGADLN CCC(=O)c1cccc(S(=O)(=O)Nc2nc(C3CC3)c(C(=O)OC)s2)c1 ZINC000270309530 1434722045 /nfs/dbraw/zinc/72/20/45/1434722045.db2.gz GVRMCIYCLIWFKH-UHFFFAOYSA-N 0 2 394.474 3.201 20 0 GGADLN CCSCc1ccnc(NS(=O)(=O)c2cccc(C(=O)NC3CC3)c2)c1 ZINC000270499255 1434739191 /nfs/dbraw/zinc/73/91/91/1434739191.db2.gz WUDXXJZPVMOSIN-UHFFFAOYSA-N 0 2 391.518 3.028 20 0 GGADLN CC[C@H]1CC[C@H](C)N1C(=O)c1ccc2c(c1)[nH]c(=S)n(CCCOC)c2=O ZINC000271776783 1434849643 /nfs/dbraw/zinc/84/96/43/1434849643.db2.gz JJIXNQXFZPJLFL-ZFWWWQNUSA-N 0 2 389.521 3.125 20 0 GGADLN COCC[C@@H](NC(=O)N(C)Cc1nc(=O)c2sccc2[nH]1)c1ccc(C)o1 ZINC000272206511 1434878038 /nfs/dbraw/zinc/87/80/38/1434878038.db2.gz DUQFQRQWRCPVBY-GFCCVEGCSA-N 0 2 390.465 3.218 20 0 GGADLN O=C(C[C@@H]1CCCN1C(=O)C1=NN(c2ccc(F)cc2)CC1=O)c1ccco1 ZINC000272351324 1434889541 /nfs/dbraw/zinc/88/95/41/1434889541.db2.gz AKAXKXQUKMTIMT-HNNXBMFYSA-N 0 2 383.379 3.188 20 0 GGADLN CC[C@H]1C[C@@H](C(=O)Nc2cccc(S(=O)(=O)Nc3nccs3)c2)CCO1 ZINC000272719743 1434925905 /nfs/dbraw/zinc/92/59/05/1434925905.db2.gz GXYRMWQSSNQQTA-JSGCOSHPSA-N 0 2 395.506 3.088 20 0 GGADLN CC[C@H](NC(=O)c1cc(F)c(O)c(F)c1)[C@@H](c1ccc(C)cc1)n1cncn1 ZINC000273879934 1435024697 /nfs/dbraw/zinc/02/46/97/1435024697.db2.gz SJEWOWOVOPVOSV-ZWKOTPCHSA-N 0 2 386.402 3.368 20 0 GGADLN CCOc1ccc(OC)cc1NC(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000274616569 1435081335 /nfs/dbraw/zinc/08/13/35/1435081335.db2.gz RVACZPLRPDLDBI-UHFFFAOYSA-N 0 2 397.435 3.113 20 0 GGADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)Nc1cccc(N2CCCC2)c1 ZINC000274634822 1435082169 /nfs/dbraw/zinc/08/21/69/1435082169.db2.gz XTJNSSZGCOINIS-UHFFFAOYSA-N 0 2 392.463 3.306 20 0 GGADLN CCOc1cc(NC(=O)NCc2nnc(COc3ccccc3)[nH]2)ccc1OC ZINC000274633039 1435082258 /nfs/dbraw/zinc/08/22/58/1435082258.db2.gz XFWXIOVLYHOAMA-UHFFFAOYSA-N 0 2 397.435 3.113 20 0 GGADLN Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1Nc1nc(-c2ccccc2)ns1 ZINC000274707449 1435086752 /nfs/dbraw/zinc/08/67/52/1435086752.db2.gz SCMONMWRVVNPJC-AWEZNQCLSA-N 0 2 389.506 3.122 20 0 GGADLN COc1cccc(OC)c1S(=O)(=O)Nc1nc2c(s1)C(=O)CC(C)(C)C2 ZINC000274716381 1435087480 /nfs/dbraw/zinc/08/74/80/1435087480.db2.gz GJAPPWCXHREMBS-UHFFFAOYSA-N 0 2 396.490 3.116 20 0 GGADLN 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VHCUKNAXEPMJKE-UHFFFAOYSA-N 0 2 396.318 3.118 20 0 GGADLN COc1ccc(N2CC(=O)C(C(=O)N3CC[C@H](C(F)(F)F)C3(C)C)=N2)cc1 ZINC000276402581 1435209503 /nfs/dbraw/zinc/20/95/03/1435209503.db2.gz WQVDJYXDJWPXRR-AWEZNQCLSA-N 0 2 383.370 3.390 20 0 GGADLN O=C(CSc1nnc(-c2ccc3ccccc3c2)o1)NOC[C@@H]1CCOC1 ZINC000276479840 1435213626 /nfs/dbraw/zinc/21/36/26/1435213626.db2.gz QMYICJMRMREYHB-CYBMUJFWSA-N 0 2 385.445 3.066 20 0 GGADLN O=C(CSc1nnc(-c2ccc3ccccc3c2)o1)NOC[C@H]1CCOC1 ZINC000276479841 1435213707 /nfs/dbraw/zinc/21/37/07/1435213707.db2.gz QMYICJMRMREYHB-ZDUSSCGKSA-N 0 2 385.445 3.066 20 0 GGADLN CCc1c(NS(=O)(=O)c2ccc(NC(=O)OC)cc2)cnn1CCC(C)C ZINC000276932895 1435244527 /nfs/dbraw/zinc/24/45/27/1435244527.db2.gz RCJXGBJDKWFRHG-UHFFFAOYSA-N 0 2 394.497 3.471 20 0 GGADLN CC(F)(F)CC(=O)N1CC[C@H](c2ccc(F)cc2)[C@@H](NC(=O)C(F)(F)F)C1 ZINC000277072317 1435258955 /nfs/dbraw/zinc/25/89/55/1435258955.db2.gz SQYLZWTXYPNXGW-OLZOCXBDSA-N 0 2 396.331 3.234 20 0 GGADLN CN(C(=O)C(C)(C)C)c1ccc(OC(=O)C(C)(C)NC(=O)C(F)(F)F)cc1 ZINC000277212624 1435279314 /nfs/dbraw/zinc/27/93/14/1435279314.db2.gz KLWBVRVWSAHAPU-UHFFFAOYSA-N 0 2 388.386 3.058 20 0 GGADLN CC(C)(NC(=O)C(F)(F)F)C(=O)Nc1ccc(C(=O)NC2CCCCC2)cc1 ZINC000277230274 1435281890 /nfs/dbraw/zinc/28/18/90/1435281890.db2.gz STRXBGMXNHBXGS-UHFFFAOYSA-N 0 2 399.413 3.145 20 0 GGADLN CC(C)COC(=O)Nc1cccc(NC(=O)C(C)(C)NC(=O)C(F)(F)F)c1 ZINC000277235299 1435282945 /nfs/dbraw/zinc/28/29/45/1435282945.db2.gz UCHRVEOOJRDOFK-UHFFFAOYSA-N 0 2 389.374 3.287 20 0 GGADLN COC(=O)Nc1ccc(S(=O)(=O)Nc2cnn(C3CCCC3)c2C)cc1 ZINC000277494788 1435308322 /nfs/dbraw/zinc/30/83/22/1435308322.db2.gz CNUJLHKJRDJPLB-UHFFFAOYSA-N 0 2 378.454 3.286 20 0 GGADLN C[C@@H]1CCS(=O)(=O)CCN1C(=O)c1cc(-c2ccccc2)cc(Cl)c1O ZINC000277586308 1435314488 /nfs/dbraw/zinc/31/44/88/1435314488.db2.gz OUHHCPLPCVAFSN-CYBMUJFWSA-N 0 2 393.892 3.362 20 0 GGADLN CCn1cc(S(=O)(=O)Nc2nnc([C@H]3CCCc4ccccc43)s2)cn1 ZINC000277856008 1435336407 /nfs/dbraw/zinc/33/64/07/1435336407.db2.gz MWSWABTUXSGSSW-HNNXBMFYSA-N 0 2 389.506 3.024 20 0 GGADLN CC[C@H](c1nnc(NS(=O)(=O)c2cnn(C(C)C)c2)o1)c1ccccc1 ZINC000278116362 1435361168 /nfs/dbraw/zinc/36/11/68/1435361168.db2.gz AMGWPIFGVWQHNT-HNNXBMFYSA-N 0 2 375.454 3.190 20 0 GGADLN COc1cccc(OC)c1S(=O)(=O)Nc1nnc(CC2CCCCC2)o1 ZINC000278119873 1435361529 /nfs/dbraw/zinc/36/15/29/1435361529.db2.gz AUZWEGRBXVEFMG-UHFFFAOYSA-N 0 2 381.454 3.010 20 0 GGADLN COc1cc(F)c(S(=O)(=O)Nc2nnc(C3CCCCC3)o2)cc1OC ZINC000278132393 1435362835 /nfs/dbraw/zinc/36/28/35/1435362835.db2.gz CISRJRXOULGBDR-UHFFFAOYSA-N 0 2 385.417 3.074 20 0 GGADLN COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(C(=O)N2CCCC2)cc1 ZINC000278201058 1435368913 /nfs/dbraw/zinc/36/89/13/1435368913.db2.gz FYPRXAJKQFZARF-UHFFFAOYSA-N 0 2 394.880 3.385 20 0 GGADLN Cc1c(S(=O)(=O)Nc2nnc(C(C)(C)C)o2)cnn1-c1ccc(Cl)cc1 ZINC000278299882 1435377707 /nfs/dbraw/zinc/37/77/07/1435377707.db2.gz DGQVJOVJYPLLEU-UHFFFAOYSA-N 0 2 395.872 3.315 20 0 GGADLN CC(C)CCOc1ccc(S(=O)(=O)Nc2nnc([C@@H]3CCCO3)o2)cc1 ZINC000278311111 1435378434 /nfs/dbraw/zinc/37/84/34/1435378434.db2.gz FFXHBKPSOWBCAX-HNNXBMFYSA-N 0 2 381.454 3.147 20 0 GGADLN COC(=O)c1ccc(Cl)cc1S(=O)(=O)Nc1nnc(C2CCCCC2)o1 ZINC000278361286 1435383784 /nfs/dbraw/zinc/38/37/84/1435383784.db2.gz JROFAOYTDMCVFM-UHFFFAOYSA-N 0 2 399.856 3.358 20 0 GGADLN COc1cccc(-c2nnc(NS(=O)(=O)c3cc(C)c(C)s3)o2)c1OC ZINC000278449971 1435391904 /nfs/dbraw/zinc/39/19/04/1435391904.db2.gz XRKCRMDTWANPLW-UHFFFAOYSA-N 0 2 395.462 3.233 20 0 GGADLN COc1cc(C)cc(C)c1S(=O)(=O)Nc1nnc(-c2cc(C)oc2C)o1 ZINC000278472399 1435393524 /nfs/dbraw/zinc/39/35/24/1435393524.db2.gz HMEYOTNRYUBJNT-UHFFFAOYSA-N 0 2 377.422 3.373 20 0 GGADLN O=C(c1c[nH]c2nc(=O)[nH]c(=O)c-2c1)N1CC2(CCCC2)c2cccc(F)c21 ZINC000278527900 1435397474 /nfs/dbraw/zinc/39/74/74/1435397474.db2.gz NFDBWWICMUXCLP-UHFFFAOYSA-N 0 2 380.379 3.047 20 0 GGADLN CCn1nc(C)c(S(=O)(=O)Nc2cc(-c3ccco3)nn2C(C)C)c1C ZINC000278613169 1435405549 /nfs/dbraw/zinc/40/55/49/1435405549.db2.gz FZQAMRNVBDSDSA-UHFFFAOYSA-N 0 2 377.470 3.358 20 0 GGADLN CCC1=NN(Cc2ccccc2C)C(=O)[C@H]1CCNC(=O)Nc1cccnc1 ZINC000279214682 1435472482 /nfs/dbraw/zinc/47/24/82/1435472482.db2.gz HIGRSMXQHBKDSI-SFHVURJKSA-N 0 2 379.464 3.326 20 0 GGADLN Cn1nc([C@@H]2CCCOC2)cc1NS(=O)(=O)c1ccc(C(F)(F)F)cc1 ZINC000279832901 1435548499 /nfs/dbraw/zinc/54/84/99/1435548499.db2.gz CHKCPRKVWDUJFB-LLVKDONJSA-N 0 2 389.399 3.134 20 0 GGADLN COC(=O)c1nc([C@H]2CCCN2C(=O)c2cc(F)c(O)c(F)c2)sc1C ZINC000279925450 1435564232 /nfs/dbraw/zinc/56/42/32/1435564232.db2.gz IXORVTUDCXDBTL-GFCCVEGCSA-N 0 2 382.388 3.199 20 0 GGADLN Cn1nc([C@@H]2CCCOC2)cc1NS(=O)(=O)c1ccc(C(C)(C)C)cc1 ZINC000279958366 1435569483 /nfs/dbraw/zinc/56/94/83/1435569483.db2.gz KETBMXNHOYSUMX-CQSZACIVSA-N 0 2 377.510 3.412 20 0 GGADLN Cc1cc(S(=O)(=O)Nc2cc([C@@H]3CCCOC3)[nH]n2)ccc1OC(C)C ZINC000280305022 1435631255 /nfs/dbraw/zinc/63/12/55/1435631255.db2.gz NXQUJMHDFCAJAY-CQSZACIVSA-N 0 2 379.482 3.200 20 0 GGADLN CC(C)c1cccc(N2CC(=O)C(C(=O)N(CCCO)Cc3ccccn3)=N2)c1 ZINC000280398401 1435652916 /nfs/dbraw/zinc/65/29/16/1435652916.db2.gz GZNGSFNBJMRKKK-UHFFFAOYSA-N 0 2 394.475 3.121 20 0 GGADLN COc1cc(NC(=O)NCc2nnc(COc3ccccc3)[nH]2)c(C)cc1C ZINC000280596426 1435685112 /nfs/dbraw/zinc/68/51/12/1435685112.db2.gz WGQMDIHEMWVHAL-UHFFFAOYSA-N 0 2 381.436 3.331 20 0 GGADLN CN(C(=O)[C@H]1CCN(C(=O)c2cc(F)cc(Cl)c2O)C1)c1ccccc1 ZINC000280824655 1435726444 /nfs/dbraw/zinc/72/64/44/1435726444.db2.gz SQHWCCYWSOSBBG-LBPRGKRZSA-N 0 2 376.815 3.310 20 0 GGADLN CN(C(=O)[C@@H]1CCN(C(=O)c2cc(F)cc(Cl)c2O)C1)c1ccccc1 ZINC000280824650 1435726744 /nfs/dbraw/zinc/72/67/44/1435726744.db2.gz SQHWCCYWSOSBBG-GFCCVEGCSA-N 0 2 376.815 3.310 20 0 GGADLN CCOC(=O)c1nc(NS(=O)(=O)c2ccc(C(C)C)cc2)sc1C(C)=O ZINC000281020770 1435757850 /nfs/dbraw/zinc/75/78/50/1435757850.db2.gz SFNQDJBNRGKOIM-UHFFFAOYSA-N 0 2 396.490 3.447 20 0 GGADLN O=S(=O)(c1ccc(O)c(-c2nc([C@H]3CCC(F)(F)C3)no2)c1)N1CCCC1 ZINC000281431199 1435808604 /nfs/dbraw/zinc/80/86/04/1435808604.db2.gz PIVSIVJPQJDHTI-NSHDSACASA-N 0 2 399.419 3.130 20 0 GGADLN O=C(c1cc(-c2ccccc2)cc(Cl)c1O)N1CC[C@@H]2COC(=O)N[C@H]2C1 ZINC000282063671 1435833081 /nfs/dbraw/zinc/83/30/81/1435833081.db2.gz MPVLJDHZKCPHNN-DYVFJYSZSA-N 0 2 386.835 3.283 20 0 GGADLN Cc1ccc(N2CCOCC2)cc1NS(=O)(=O)c1cc(F)c(F)cc1F ZINC000282090068 1435834124 /nfs/dbraw/zinc/83/41/24/1435834124.db2.gz XBDNRGWQHMFASB-UHFFFAOYSA-N 0 2 386.395 3.050 20 0 GGADLN C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCN2C(=O)C2=NN(c3ccc(F)cc3)CC2=O)C1 ZINC000282289554 1435841823 /nfs/dbraw/zinc/84/18/23/1435841823.db2.gz XEFDIFUOWUNKSD-ZSGPHXLJSA-N 0 2 387.455 3.119 20 0 GGADLN CCN(CC)C(=O)c1ccc(S(=O)(=O)Nc2nc(C(C)(C)C)ns2)cc1 ZINC000282558404 1435851544 /nfs/dbraw/zinc/85/15/44/1435851544.db2.gz ZWAJKAKFGUHQLK-UHFFFAOYSA-N 0 2 396.538 3.118 20 0 GGADLN CC(C)(COCc1ccccc1)C(=O)NCc1nnc(COc2ccccc2)[nH]1 ZINC000282677677 1435856083 /nfs/dbraw/zinc/85/60/83/1435856083.db2.gz IAKYMCRGSHLHQM-UHFFFAOYSA-N 0 2 394.475 3.243 20 0 GGADLN CN(Cc1nc(=O)c2sccc2[nH]1)c1nnc(CCCc2ccccc2)n1C ZINC000283078320 1435873416 /nfs/dbraw/zinc/87/34/16/1435873416.db2.gz HHVKTUFPWQAGEH-UHFFFAOYSA-N 0 2 394.504 3.337 20 0 GGADLN O=S(=O)(Nc1ccc(COC2CCCC2)cc1)c1cnn(CC(F)F)c1 ZINC000283792406 1435924855 /nfs/dbraw/zinc/92/48/55/1435924855.db2.gz FVCJMKKPICPNNG-UHFFFAOYSA-N 0 2 385.436 3.408 20 0 GGADLN CCOC1(C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)CCCC1 ZINC000283881964 1435943462 /nfs/dbraw/zinc/94/34/62/1435943462.db2.gz NUUDAGLTEPKDRC-UHFFFAOYSA-N 0 2 395.506 3.232 20 0 GGADLN Fc1ccc([C@@H]2CCC[N@@H+]2Cc2cnc3ccc(-c4nnn[n-]4)cn23)cc1F ZINC000826373866 1441475482 /nfs/dbraw/zinc/47/54/82/1441475482.db2.gz CFISILLUXFYIPH-KRWDZBQOSA-N 0 2 381.390 3.130 20 0 GGADLN Fc1ccc([C@@H]2CCC[N@H+]2Cc2cnc3ccc(-c4nnn[n-]4)cn23)cc1F ZINC000826373866 1441475487 /nfs/dbraw/zinc/47/54/87/1441475487.db2.gz CFISILLUXFYIPH-KRWDZBQOSA-N 0 2 381.390 3.130 20 0 GGADLN FC(F)Oc1ccc([C@H]2C[N@H+](Cc3cc(-c4nnn[n-]4)cs3)CCO2)cc1 ZINC000826369955 1441480188 /nfs/dbraw/zinc/48/01/88/1441480188.db2.gz WWXRCBQQBALKPR-OAHLLOKOSA-N 0 2 393.419 3.103 20 0 GGADLN FC(F)Oc1ccc([C@H]2C[N@@H+](Cc3cc(-c4nnn[n-]4)cs3)CCO2)cc1 ZINC000826369955 1441480191 /nfs/dbraw/zinc/48/01/91/1441480191.db2.gz WWXRCBQQBALKPR-OAHLLOKOSA-N 0 2 393.419 3.103 20 0 GGADLN Cc1[nH+]c(-c2cccnc2)nc(NCc2ccc(-c3nnn[n-]3)cc2F)c1C ZINC000822423865 1441542553 /nfs/dbraw/zinc/54/25/53/1441542553.db2.gz PZMGQWQXTWECSK-UHFFFAOYSA-N 0 2 376.399 3.087 20 0 GGADLN Cn1c2ccccc2nc1[C@H]1CCC[N@@H+]1Cc1cccc(-c2nnn[n-]2)c1F ZINC000826355292 1441560343 /nfs/dbraw/zinc/56/03/43/1441560343.db2.gz SCJKJLBHCMURKT-QGZVFWFLSA-N 0 2 377.427 3.230 20 0 GGADLN Cn1c2ccccc2nc1[C@H]1CCC[N@H+]1Cc1cccc(-c2nnn[n-]2)c1F ZINC000826355292 1441560346 /nfs/dbraw/zinc/56/03/46/1441560346.db2.gz SCJKJLBHCMURKT-QGZVFWFLSA-N 0 2 377.427 3.230 20 0 GGADLN COC(=O)[C@@H](c1ccc(-c2nnn[n-]2)cc1)[NH+]1CCC(c2cccc(F)c2)CC1 ZINC000821650267 1441605142 /nfs/dbraw/zinc/60/51/42/1441605142.db2.gz NRHNEMZEIPMBCR-LJQANCHMSA-N 0 2 395.438 3.100 20 0 GGADLN Cn1cc(-c2ccccc2CNc2[nH+]c3c(cc2-c2nnn[n-]2)CCCC3)cn1 ZINC000826356593 1441616137 /nfs/dbraw/zinc/61/61/37/1441616137.db2.gz XLYSENBDIIOPJG-UHFFFAOYSA-N 0 2 386.463 3.153 20 0 GGADLN Cc1nnc(Nc2ccc3c(c2)[nH+]c(C(C)(C)C)n3C)c(-c2nnn[n-]2)c1C ZINC000826336698 1441765007 /nfs/dbraw/zinc/76/50/07/1441765007.db2.gz JUAYFLWRTKKXLZ-UHFFFAOYSA-N 0 2 377.456 3.201 20 0 GGADLN C[C@H]1C[N@H+](CCCOc2cccc(-c3nnn[n-]3)c2)C[C@@H](c2ccsc2)O1 ZINC000820759199 1441775065 /nfs/dbraw/zinc/77/50/65/1441775065.db2.gz ITKAORVDFDQHEZ-KSSFIOAISA-N 0 2 385.493 3.159 20 0 GGADLN C[C@H]1C[N@@H+](CCCOc2cccc(-c3nnn[n-]3)c2)C[C@@H](c2ccsc2)O1 ZINC000820759199 1441775069 /nfs/dbraw/zinc/77/50/69/1441775069.db2.gz ITKAORVDFDQHEZ-KSSFIOAISA-N 0 2 385.493 3.159 20 0 GGADLN Cc1cc(C)c(-c2nnn[n-]2)c(N2CCN([C@@H](C)c3ccc(Cl)cc3)CC2)[nH+]1 ZINC000822190826 1441835237 /nfs/dbraw/zinc/83/52/37/1441835237.db2.gz BSJFHOYHWOUBQV-HNNXBMFYSA-N 0 2 397.914 3.415 20 0 GGADLN CCCCc1noc([C@H](C)[NH+]2CCC(Oc3cccc(-c4nnn[n-]4)c3)CC2)n1 ZINC000736465154 1441864921 /nfs/dbraw/zinc/86/49/21/1441864921.db2.gz BIYGFZZKKMHYGC-AWEZNQCLSA-N 0 2 397.483 3.197 20 0 GGADLN O=C(c1ccccc1-c1ccccc1-c1nnn[n-]1)N1CCC[C@@H](n2cc[nH+]c2)C1 ZINC000738278755 1441915784 /nfs/dbraw/zinc/91/57/84/1441915784.db2.gz NJDJSZZAHDCDJN-MRXNPFEDSA-N 0 2 399.458 3.208 20 0 GGADLN FC(F)(F)c1ccccc1C[N@@H+]1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826368771 1441928744 /nfs/dbraw/zinc/92/87/44/1441928744.db2.gz AQVXDROAZGAROV-KRWDZBQOSA-N 0 2 389.381 3.459 20 0 GGADLN FC(F)(F)c1ccccc1C[N@H+]1CCO[C@H](c2cccc(-c3nnn[n-]3)c2)C1 ZINC000826368771 1441928746 /nfs/dbraw/zinc/92/87/46/1441928746.db2.gz AQVXDROAZGAROV-KRWDZBQOSA-N 0 2 389.381 3.459 20 0 GGADLN Cc1cc[nH+]c(N[C@@H](C)[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)c1-c1nnn[n-]1 ZINC000826311883 1441931184 /nfs/dbraw/zinc/93/11/84/1441931184.db2.gz QDOTVAQAKTULDH-UONOGXRCSA-N 0 2 387.488 3.018 20 0 GGADLN Cc1nn(-c2ccccc2)c(C[N@@H+]2CC[C@H]2c2cccc(F)c2)c1-c1nnn[n-]1 ZINC000826332206 1441952578 /nfs/dbraw/zinc/95/25/78/1441952578.db2.gz MRSJHAJFJZHNRT-SFHVURJKSA-N 0 2 389.438 3.447 20 0 GGADLN Cc1nn(-c2ccccc2)c(C[N@H+]2CC[C@H]2c2cccc(F)c2)c1-c1nnn[n-]1 ZINC000826332206 1441952581 /nfs/dbraw/zinc/95/25/81/1441952581.db2.gz MRSJHAJFJZHNRT-SFHVURJKSA-N 0 2 389.438 3.447 20 0 GGADLN O[C@]1(CN(Cc2ccccc2)c2[nH+]cccc2-c2nnn[n-]2)CCc2ccccc21 ZINC000826506131 1441952803 /nfs/dbraw/zinc/95/28/03/1441952803.db2.gz NIQSIFFAMYMXPR-QHCPKHFHSA-N 0 2 398.470 3.102 20 0 GGADLN CCCCCC[C@@H](C)C(=O)N1CC[NH+](Cc2ccc(-c3nnn[n-]3)cc2)CC1 ZINC000736447786 1442018292 /nfs/dbraw/zinc/01/82/92/1442018292.db2.gz UJENWBUEZZSJRT-QGZVFWFLSA-N 0 2 384.528 3.117 20 0 GGADLN C[C@@H]1CCN(c2ccc(-c3nnn[n-]3)c(C(F)(F)F)c2)C[C@@H]1n1cc[nH+]c1 ZINC000820727769 1442031128 /nfs/dbraw/zinc/03/11/28/1442031128.db2.gz ORFQUJZCMCZIQA-ABAIWWIYSA-N 0 2 377.374 3.170 20 0 GGADLN CCOc1cccc([C@@H](C)[NH2+]Cc2nnc(-c3cccc(-c4nnn[n-]4)c3)o2)c1 ZINC000825648895 1442100112 /nfs/dbraw/zinc/10/01/12/1442100112.db2.gz FWSSMNJMJXMYPS-CYBMUJFWSA-N 0 2 391.435 3.166 20 0 GGADLN Cc1ccc(-c2nnn[n-]2)c(NC[C@@H](C)Oc2ccc(Br)cc2)[nH+]1 ZINC000826276221 1442139341 /nfs/dbraw/zinc/13/93/41/1442139341.db2.gz XYJZMMFAXDRHIW-LLVKDONJSA-N 0 2 389.257 3.212 20 0 GGADLN FC(F)(F)c1cccc([C@H]2C[N@H+](Cc3ccc(-c4nnn[n-]4)o3)CCO2)c1 ZINC000826368832 1442168342 /nfs/dbraw/zinc/16/83/42/1442168342.db2.gz CMIUSRQTXUHUBC-OAHLLOKOSA-N 0 2 379.342 3.052 20 0 GGADLN FC(F)(F)c1cccc([C@H]2C[N@@H+](Cc3ccc(-c4nnn[n-]4)o3)CCO2)c1 ZINC000826368832 1442168344 /nfs/dbraw/zinc/16/83/44/1442168344.db2.gz CMIUSRQTXUHUBC-OAHLLOKOSA-N 0 2 379.342 3.052 20 0 GGADLN C[C@H](c1ccc(-c2nn[n-]n2)cc1)[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000820556081 1442257250 /nfs/dbraw/zinc/25/72/50/1442257250.db2.gz RIGQQVWPPZKCIE-IEBWSBKVSA-N 0 2 376.508 3.382 20 0 GGADLN C[C@H](c1ccc(-c2nn[n-]n2)cc1)[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000820556081 1442257253 /nfs/dbraw/zinc/25/72/53/1442257253.db2.gz RIGQQVWPPZKCIE-IEBWSBKVSA-N 0 2 376.508 3.382 20 0 GGADLN C[C@@H](Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1)c1ccc(-c2nnn[n-]2)cc1F ZINC000824991706 1442346705 /nfs/dbraw/zinc/34/67/05/1442346705.db2.gz FNWLSMVGPHVTTQ-HZSPNIEDSA-N 0 2 397.458 3.188 20 0 GGADLN O[C@@H](C[N@@H+]1CCc2[nH]c3ccc(Cl)cc3c2C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823683081 1442390074 /nfs/dbraw/zinc/39/00/74/1442390074.db2.gz XZXOFRQCUNXDCD-IBGZPJMESA-N 0 2 394.866 3.093 20 0 GGADLN O[C@@H](C[N@H+]1CCc2[nH]c3ccc(Cl)cc3c2C1)c1ccc(-c2nnn[n-]2)cc1 ZINC000823683081 1442390077 /nfs/dbraw/zinc/39/00/77/1442390077.db2.gz XZXOFRQCUNXDCD-IBGZPJMESA-N 0 2 394.866 3.093 20 0 GGADLN Cc1noc(C)c1[C@H](C)CNc1c(-c2nnn[n-]2)c[nH+]c2c(C)cc(F)cc12 ZINC000826339040 1442424174 /nfs/dbraw/zinc/42/41/74/1442424174.db2.gz PAGYVXAEGKUFOI-SNVBAGLBSA-N 0 2 381.415 3.105 20 0 GGADLN CC[C@@H](c1ccccc1)[N@H+](CC(=O)OC)Cc1ccc(F)cc1-c1nnn[n-]1 ZINC000825158814 1442440243 /nfs/dbraw/zinc/44/02/43/1442440243.db2.gz AUSGWKLRGMGCKU-SFHVURJKSA-N 0 2 383.427 3.132 20 0 GGADLN CC[C@@H](c1ccccc1)[N@@H+](CC(=O)OC)Cc1ccc(F)cc1-c1nnn[n-]1 ZINC000825158814 1442440245 /nfs/dbraw/zinc/44/02/45/1442440245.db2.gz AUSGWKLRGMGCKU-SFHVURJKSA-N 0 2 383.427 3.132 20 0 GGADLN CCN1CC[NH+](Cc2ccc(N[C@H](C)c3cccc(-c4nnn[n-]4)c3)cc2)CC1 ZINC000825460479 1442470755 /nfs/dbraw/zinc/47/07/55/1442470755.db2.gz YFQGOWKCAOCLHW-QGZVFWFLSA-N 0 2 391.523 3.177 20 0 GGADLN CC[NH+](CC)[C@H](C(=O)OCc1cc(-c2nnn[n-]2)ccc1F)c1ccccc1 ZINC000736534168 1443079254 /nfs/dbraw/zinc/07/92/54/1443079254.db2.gz NOIGOPMROKXTRE-SFHVURJKSA-N 0 2 383.427 3.132 20 0 GGADLN CC(C)n1ncc2cc(C[N@H+](C)Cc3cccc(-c4nnn[n-]4)c3)c(Cl)nc21 ZINC000824377684 1443173611 /nfs/dbraw/zinc/17/36/11/1443173611.db2.gz LBIYZZFIYRAQOH-UHFFFAOYSA-N 0 2 396.886 3.478 20 0 GGADLN CC(C)n1ncc2cc(C[N@@H+](C)Cc3cccc(-c4nnn[n-]4)c3)c(Cl)nc21 ZINC000824377684 1443173616 /nfs/dbraw/zinc/17/36/16/1443173616.db2.gz LBIYZZFIYRAQOH-UHFFFAOYSA-N 0 2 396.886 3.478 20 0 GGADLN Cc1oc(NC(=O)C[N@@H+]2C[C@@H](C)C[C@@H]2c2ccccc2F)c(-c2nnn[n-]2)c1C ZINC000822548167 1443187263 /nfs/dbraw/zinc/18/72/63/1443187263.db2.gz GVUKFROVLXCBNJ-MEDUHNTESA-N 0 2 398.442 3.237 20 0 GGADLN Cc1oc(NC(=O)C[N@H+]2C[C@@H](C)C[C@@H]2c2ccccc2F)c(-c2nnn[n-]2)c1C ZINC000822548167 1443187265 /nfs/dbraw/zinc/18/72/65/1443187265.db2.gz GVUKFROVLXCBNJ-MEDUHNTESA-N 0 2 398.442 3.237 20 0 GGADLN C[C@H]1C[N@H+](CCCOc2ccc(-c3nnn[n-]3)cc2)C[C@@H](c2ccsc2)O1 ZINC000820761016 1443232613 /nfs/dbraw/zinc/23/26/13/1443232613.db2.gz VKXGZLCCHPLJPT-KSSFIOAISA-N 0 2 385.493 3.159 20 0 GGADLN C[C@H]1C[N@@H+](CCCOc2ccc(-c3nnn[n-]3)cc2)C[C@@H](c2ccsc2)O1 ZINC000820761016 1443232617 /nfs/dbraw/zinc/23/26/17/1443232617.db2.gz VKXGZLCCHPLJPT-KSSFIOAISA-N 0 2 385.493 3.159 20 0 GGADLN CCOc1ccc(-c2noc(C[NH2+][C@@H](C)c3ccc(-c4nnn[n-]4)cc3)n2)cc1 ZINC000825632096 1443240061 /nfs/dbraw/zinc/24/00/61/1443240061.db2.gz KTTBABIEMGQGGD-ZDUSSCGKSA-N 0 2 391.435 3.166 20 0 GGADLN Cc1sc(NC(=O)C[N@H+]2CCCC[C@@H]2c2cccn2C)c(-c2nnn[n-]2)c1C ZINC000822558268 1443344129 /nfs/dbraw/zinc/34/41/29/1443344129.db2.gz NQLUIXILHYUJMK-OAHLLOKOSA-N 0 2 399.524 3.049 20 0 GGADLN Cc1sc(NC(=O)C[N@@H+]2CCCC[C@@H]2c2cccn2C)c(-c2nnn[n-]2)c1C ZINC000822558268 1443344138 /nfs/dbraw/zinc/34/41/38/1443344138.db2.gz NQLUIXILHYUJMK-OAHLLOKOSA-N 0 2 399.524 3.049 20 0 GGADLN C[C@@H]([NH2+]C1(c2cccc(-c3nnn[n-]3)c2)CC1)c1ncc(Br)s1 ZINC000824538436 1443448697 /nfs/dbraw/zinc/44/86/97/1443448697.db2.gz JCHGFOBGXWTOAV-SECBINFHSA-N 0 2 391.298 3.426 20 0 GGADLN Fc1ccc(-c2c[nH]c([C@@H]3CCC[N@@H+]3Cc3ccnc(-c4nnn[n-]4)c3)n2)cc1 ZINC000826373006 1443449895 /nfs/dbraw/zinc/44/98/95/1443449895.db2.gz VSIYMABHZGUZAJ-SFHVURJKSA-N 0 2 390.426 3.128 20 0 GGADLN Fc1ccc(-c2c[nH]c([C@@H]3CCC[N@H+]3Cc3ccnc(-c4nnn[n-]4)c3)n2)cc1 ZINC000826373006 1443449897 /nfs/dbraw/zinc/44/98/97/1443449897.db2.gz VSIYMABHZGUZAJ-SFHVURJKSA-N 0 2 390.426 3.128 20 0 GGADLN Cc1c(Cl)cnc(N[C@@H](Cc2[nH+]ccn2C)c2ccccc2)c1-c1nnn[n-]1 ZINC000826238409 1443527384 /nfs/dbraw/zinc/52/73/84/1443527384.db2.gz FTTQEBRVBKDRRB-HNNXBMFYSA-N 0 2 394.870 3.353 20 0 GGADLN Cn1c2ccccc2nc1[C@@H]1CCC[N@@H+]1Cc1cc(-c2nnn[n-]2)ccc1F ZINC000822595753 1443729807 /nfs/dbraw/zinc/72/98/07/1443729807.db2.gz CQPLMCIXRFZUAS-SFHVURJKSA-N 0 2 377.427 3.230 20 0 GGADLN Cn1c2ccccc2nc1[C@@H]1CCC[N@H+]1Cc1cc(-c2nnn[n-]2)ccc1F ZINC000822595753 1443729811 /nfs/dbraw/zinc/72/98/11/1443729811.db2.gz CQPLMCIXRFZUAS-SFHVURJKSA-N 0 2 377.427 3.230 20 0 GGADLN Cn1ccnc1[C@H]([NH2+][C@H]1CCCc2cc(-c3nnn[n-]3)ccc21)c1ccccc1 ZINC000826363994 1443733006 /nfs/dbraw/zinc/73/30/06/1443733006.db2.gz HOYUNBXWUSRIDS-VQTJNVASSA-N 0 2 385.475 3.357 20 0 GGADLN CCOc1cccc(CNc2[nH+]c(C)ccc2-c2nnn[n-]2)c1OC(F)F ZINC000825649775 1443771398 /nfs/dbraw/zinc/77/13/98/1443771398.db2.gz XOCAOYHMBZUMBD-UHFFFAOYSA-N 0 2 376.367 3.182 20 0 GGADLN CCc1cc(N(Cc2ccc(-c3nnn[n-]3)cc2)C2CC2)nc(-c2ccncc2)[nH+]1 ZINC000736676709 1443997971 /nfs/dbraw/zinc/99/79/71/1443997971.db2.gz TXPCOJNTCMMCMM-UHFFFAOYSA-N 0 2 398.474 3.450 20 0 GGADLN Cc1cc(F)ccc1N1CCC[C@@H](Nc2[nH+]c3c(cc2-c2nnn[n-]2)CCC3)C1 ZINC000737271079 1444002222 /nfs/dbraw/zinc/00/22/22/1444002222.db2.gz RAOTZCQHQCTNJY-MRXNPFEDSA-N 0 2 393.470 3.279 20 0 GGADLN O=C(OCc1cc(-c2nnn[n-]2)ccc1F)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000738237148 1446139425 /nfs/dbraw/zinc/13/94/25/1446139425.db2.gz YABKAEFJGGQNOE-LJQANCHMSA-N 0 2 395.438 3.104 20 0 GGADLN O=C(OCc1cc(-c2nnn[n-]2)ccc1F)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000738237148 1446139428 /nfs/dbraw/zinc/13/94/28/1446139428.db2.gz YABKAEFJGGQNOE-LJQANCHMSA-N 0 2 395.438 3.104 20 0 GGADLN Cc1oc(NC(=O)C[NH+]2CCC(c3ccccc3F)CC2)c(-c2nnn[n-]2)c1C ZINC000737552351 1446144170 /nfs/dbraw/zinc/14/41/70/1446144170.db2.gz NPQNJHUKJYTXHP-UHFFFAOYSA-N 0 2 398.442 3.034 20 0 GGADLN CC(C)(C)OC(=O)Nc1ccc(CCNc2ccc(-c3nnn[n-]3)c[nH+]2)cc1 ZINC000819946806 1446213380 /nfs/dbraw/zinc/21/33/80/1446213380.db2.gz RIWSNSDMFBHFSA-UHFFFAOYSA-N 0 2 381.440 3.263 20 0 GGADLN Clc1ccc(-c2cc3n(n2)CC[N@H+](Cc2ccc(-c4nnn[n-]4)cc2)C3)cc1 ZINC001139096133 1446308683 /nfs/dbraw/zinc/30/86/83/1446308683.db2.gz HMSHPBRNKHQULS-UHFFFAOYSA-N 0 2 391.866 3.399 20 0 GGADLN Clc1ccc(-c2cc3n(n2)CC[N@@H+](Cc2ccc(-c4nnn[n-]4)cc2)C3)cc1 ZINC001139096133 1446308688 /nfs/dbraw/zinc/30/86/88/1446308688.db2.gz HMSHPBRNKHQULS-UHFFFAOYSA-N 0 2 391.866 3.399 20 0 GGADLN CCOc1ccc(C2(CNc3[nH+]ccc(C)c3-c3nnn[n-]3)CCOCC2)cc1 ZINC000825638650 1446359264 /nfs/dbraw/zinc/35/92/64/1446359264.db2.gz MXBZDOUHLGXZQC-UHFFFAOYSA-N 0 2 394.479 3.129 20 0 GGADLN c1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](Cc2cccc(-c4nn[n-]n4)c2)C3)cc1 ZINC001139855116 1446487078 /nfs/dbraw/zinc/48/70/78/1446487078.db2.gz SIZLWJPHFSUBPD-QHCPKHFHSA-N 0 2 388.519 3.355 20 0 GGADLN COc1ccc([C@H](OC)[C@H](C)Nc2[nH+]c3c(cc2-c2nnn[n-]2)CCCC3)cc1 ZINC000826189853 1446494090 /nfs/dbraw/zinc/49/40/90/1446494090.db2.gz HAWPSXAQTRMYIC-ORAYPTAESA-N 0 2 394.479 3.337 20 0 GGADLN COc1ccc(-c2nnn[n-]2)cc1NC1CC[NH+](c2ccc(N(C)C)cc2)CC1 ZINC000826186343 1446597161 /nfs/dbraw/zinc/59/71/61/1446597161.db2.gz OHFCBLDZXKPCKN-UHFFFAOYSA-N 0 2 393.495 3.022 20 0 GGADLN FC(F)(F)CC[N@@H+](Cc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1)CC1CC1 ZINC000822714289 1446648145 /nfs/dbraw/zinc/64/81/45/1446648145.db2.gz JZYFNNHLEXYKJU-UHFFFAOYSA-N 0 2 393.373 3.081 20 0 GGADLN FC(F)(F)CC[N@H+](Cc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1)CC1CC1 ZINC000822714289 1446648151 /nfs/dbraw/zinc/64/81/51/1446648151.db2.gz JZYFNNHLEXYKJU-UHFFFAOYSA-N 0 2 393.373 3.081 20 0 GGADLN CC[NH+](CC)[C@H](C(=O)OCc1ccc(F)c(-c2nnn[n-]2)c1)c1ccccc1 ZINC000821175866 1446828792 /nfs/dbraw/zinc/82/87/92/1446828792.db2.gz XISSABIDIKKAEA-SFHVURJKSA-N 0 2 383.427 3.132 20 0 GGADLN C[C@H](c1ccc(-c2nnn[n-]2)cc1)[N@@H+]1CCc2c(ncn2-c2ccc(F)cc2)C1 ZINC000824764523 1446862762 /nfs/dbraw/zinc/86/27/62/1446862762.db2.gz WXRQMBFOFLWCIE-CQSZACIVSA-N 0 2 389.438 3.311 20 0 GGADLN C[C@H](c1ccc(-c2nnn[n-]2)cc1)[N@H+]1CCc2c(ncn2-c2ccc(F)cc2)C1 ZINC000824764523 1446862764 /nfs/dbraw/zinc/86/27/64/1446862764.db2.gz WXRQMBFOFLWCIE-CQSZACIVSA-N 0 2 389.438 3.311 20 0 GGADLN Clc1ccc(-c2nnn[n-]2)c(NC[C@@H](c2cccs2)[NH+]2CCOCC2)c1 ZINC000737570455 1446901412 /nfs/dbraw/zinc/90/14/12/1446901412.db2.gz HUVSAEVXANJJFH-HNNXBMFYSA-N 0 2 390.900 3.067 20 0 GGADLN COc1ccc(CC[C@@H]2CCCCN2c2[nH+]cccc2-c2nnn[n-]2)cc1OC ZINC000821790491 1446970743 /nfs/dbraw/zinc/97/07/43/1446970743.db2.gz OZSMSHKZEWPFEQ-INIZCTEOSA-N 0 2 394.479 3.271 20 0 GGADLN Cc1oc(NC(=O)[C@H](C)[N@@H+]2C[C@@H](C)[C@H]2c2ccccc2)c(-c2nnn[n-]2)c1C ZINC000822540723 1447027664 /nfs/dbraw/zinc/02/76/64/1447027664.db2.gz FPTADTXSFGVEFD-ZUCKAHLUSA-N 0 2 380.452 3.097 20 0 GGADLN Cc1oc(NC(=O)[C@H](C)[N@H+]2C[C@@H](C)[C@H]2c2ccccc2)c(-c2nnn[n-]2)c1C ZINC000822540723 1447027668 /nfs/dbraw/zinc/02/76/68/1447027668.db2.gz FPTADTXSFGVEFD-ZUCKAHLUSA-N 0 2 380.452 3.097 20 0 GGADLN Cc1cccc(-c2c[nH]c([C@H]3CCC[N@@H+]3Cc3ccnc(-c4nnn[n-]4)c3)n2)c1 ZINC000826295370 1447056750 /nfs/dbraw/zinc/05/67/50/1447056750.db2.gz DTNMNXUYXYRFRK-LJQANCHMSA-N 0 2 386.463 3.297 20 0 GGADLN Cc1cccc(-c2c[nH]c([C@H]3CCC[N@H+]3Cc3ccnc(-c4nnn[n-]4)c3)n2)c1 ZINC000826295370 1447056756 /nfs/dbraw/zinc/05/67/56/1447056756.db2.gz DTNMNXUYXYRFRK-LJQANCHMSA-N 0 2 386.463 3.297 20 0 GGADLN O[C@H](CN(Cc1ccccc1)c1[nH+]cccc1-c1nnn[n-]1)c1cccs1 ZINC000823675457 1447111108 /nfs/dbraw/zinc/11/11/08/1447111108.db2.gz WYECETAXCDANBP-MRXNPFEDSA-N 0 2 378.461 3.063 20 0 GGADLN CC(C)Cc1ncc(C[N@@H+]2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)s1 ZINC000824280587 1447146077 /nfs/dbraw/zinc/14/60/77/1447146077.db2.gz PJYRYRXRZZFKON-QGZVFWFLSA-N 0 2 384.509 3.095 20 0 GGADLN CC(C)Cc1ncc(C[N@H+]2CCO[C@@H](c3cccc(-c4nnn[n-]4)c3)C2)s1 ZINC000824280587 1447146078 /nfs/dbraw/zinc/14/60/78/1447146078.db2.gz PJYRYRXRZZFKON-QGZVFWFLSA-N 0 2 384.509 3.095 20 0 GGADLN CC[NH+](CC)[C@@H](C(=O)OCc1ccc(-c2nnn[n-]2)cc1F)c1ccccc1 ZINC000736534438 1447159008 /nfs/dbraw/zinc/15/90/08/1447159008.db2.gz OHRMHSOHYLWFHK-GOSISDBHSA-N 0 2 383.427 3.132 20 0 GGADLN Cc1c(NC(=O)N2CCC(CCCn3cc[nH+]c3)CC2)cccc1-c1nnn[n-]1 ZINC000826241814 1447165580 /nfs/dbraw/zinc/16/55/80/1447165580.db2.gz PPOWXXUKLXKXQT-UHFFFAOYSA-N 0 2 394.483 3.096 20 0 GGADLN Clc1ccc([C@@H]2CN(c3[nH+]cccc3-c3nnn[n-]3)CCO2)cc1Cl ZINC000737571005 1447172341 /nfs/dbraw/zinc/17/23/41/1447172341.db2.gz PMRNVIVQOHVCIA-AWEZNQCLSA-N 0 2 377.235 3.146 20 0 GGADLN FC(F)(F)c1cccc([C@@H]2C[N@H+](Cc3ccc(-c4nnn[n-]4)o3)CCO2)c1 ZINC000826368831 1447196707 /nfs/dbraw/zinc/19/67/07/1447196707.db2.gz CMIUSRQTXUHUBC-HNNXBMFYSA-N 0 2 379.342 3.052 20 0 GGADLN FC(F)(F)c1cccc([C@@H]2C[N@@H+](Cc3ccc(-c4nnn[n-]4)o3)CCO2)c1 ZINC000826368831 1447196709 /nfs/dbraw/zinc/19/67/09/1447196709.db2.gz CMIUSRQTXUHUBC-HNNXBMFYSA-N 0 2 379.342 3.052 20 0 GGADLN O=C(C[N@H+]1CC=C(c2ccc(Cl)cc2)CC1)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000822991432 1447235217 /nfs/dbraw/zinc/23/52/17/1447235217.db2.gz CQEJACHMFQTMSR-UHFFFAOYSA-N 0 2 394.866 3.248 20 0 GGADLN O=C(C[N@@H+]1CC=C(c2ccc(Cl)cc2)CC1)Nc1ccc(-c2nnn[n-]2)cc1 ZINC000822991432 1447235222 /nfs/dbraw/zinc/23/52/22/1447235222.db2.gz CQEJACHMFQTMSR-UHFFFAOYSA-N 0 2 394.866 3.248 20 0 GGADLN Fc1cccc(-c2nc(C[NH2+]C3(c4cccc(-c5nnn[n-]5)c4)CC3)co2)c1 ZINC000826376588 1447251669 /nfs/dbraw/zinc/25/16/69/1447251669.db2.gz KBZUYLXJFVKWLC-UHFFFAOYSA-N 0 2 376.395 3.440 20 0 GGADLN C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)c1ccc(-c2nn[n-]n2)cc1 ZINC000820411629 1447347806 /nfs/dbraw/zinc/34/78/06/1447347806.db2.gz IVPSFTDTEXABOJ-LLGFUMIMSA-N 0 2 376.508 3.428 20 0 GGADLN C[N@H+](CCC[NH2+][C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21)Cc1ccccc1 ZINC000825918563 1449230798 /nfs/dbraw/zinc/23/07/98/1449230798.db2.gz HNKNSGRVTOCPGT-OAQYLSRUSA-N 0 2 376.508 3.356 20 0 GGADLN C[N@@H+](CCC[NH2+][C@@H]1CCCc2cc(-c3nn[n-]n3)ccc21)Cc1ccccc1 ZINC000825918563 1449230808 /nfs/dbraw/zinc/23/08/08/1449230808.db2.gz HNKNSGRVTOCPGT-OAQYLSRUSA-N 0 2 376.508 3.356 20 0 GGADLN C[NH+](C)[C@H](CNc1c(F)cc(-c2nnn[n-]2)cc1F)c1c(F)cccc1F ZINC000736758830 1449308565 /nfs/dbraw/zinc/30/85/65/1449308565.db2.gz IVMBWMATXKMOPQ-CQSZACIVSA-N 0 2 380.349 3.138 20 0 GGADLN Cc1nn(-c2ccccc2)c(Cl)c1C[NH2+]Cc1cc(-c2nnn[n-]2)ccc1F ZINC000822486282 1449321388 /nfs/dbraw/zinc/32/13/88/1449321388.db2.gz DVMCHANNBGSHMK-UHFFFAOYSA-N 0 2 397.845 3.443 20 0 GGADLN C[C@@H]([NH2+]CC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1)c1c(F)cccc1F ZINC000824565074 1449540659 /nfs/dbraw/zinc/54/06/59/1449540659.db2.gz YPHVFRVFUBNTNM-SECBINFHSA-N 0 2 392.797 3.088 20 0 GGADLN C[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)CC[NH+]1C ZINC000736231779 1449628943 /nfs/dbraw/zinc/62/89/43/1449628943.db2.gz XRXKNUDHAXRIFE-APWZRJJASA-N 0 2 376.508 3.448 20 0 GGADLN C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(-c3ccccc3-c3nnn[n-]3)cc2)CC[NH+]1C ZINC000736231779 1449628947 /nfs/dbraw/zinc/62/89/47/1449628947.db2.gz XRXKNUDHAXRIFE-APWZRJJASA-N 0 2 376.508 3.448 20 0 GGADLN Cc1nn(CC(C)C)c(Cl)c1[C@H]1CCCN1c1[nH+]cccc1-c1nnn[n-]1 ZINC000822500940 1449694863 /nfs/dbraw/zinc/69/48/63/1449694863.db2.gz NFHTXENERLEADV-CQSZACIVSA-N 0 2 386.891 3.418 20 0 GGADLN CCc1nnc(Nc2ccc3c(c2)[nH+]c(C2CC2)n3C)c(-c2nnn[n-]2)c1CC ZINC000825771796 1449803248 /nfs/dbraw/zinc/80/32/48/1449803248.db2.gz SBARAJXAAQSCJA-UHFFFAOYSA-N 0 2 389.467 3.289 20 0 GGADLN CCc1ccc([C@@H](C)[NH2+]Cc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)cc1 ZINC000821480317 1449902235 /nfs/dbraw/zinc/90/22/35/1449902235.db2.gz BFECUAKHTWTDOM-CYBMUJFWSA-N 0 2 375.436 3.330 20 0 GGADLN COCCOc1cc(C)ccc1CNc1[nH+]c2c(cc1-c1nnn[n-]1)CCCC2 ZINC000826161161 1449918924 /nfs/dbraw/zinc/91/89/24/1449918924.db2.gz WEHSOUYRUWTXLW-UHFFFAOYSA-N 0 2 394.479 3.086 20 0 GGADLN Cc1cc[nH+]c(NC[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)c1-c1nnn[n-]1 ZINC000826312835 1449921311 /nfs/dbraw/zinc/92/13/11/1449921311.db2.gz PISGIOTXYNNHFX-OAHLLOKOSA-N 0 2 395.467 3.248 20 0 GGADLN C[C@@H](c1ccc(F)cc1F)[NH+]1CCN(c2ccc(F)cc2-c2nnn[n-]2)CC1 ZINC000820562756 1449923519 /nfs/dbraw/zinc/92/35/19/1449923519.db2.gz IQQWXELUIJFUNB-LBPRGKRZSA-N 0 2 388.397 3.167 20 0 GGADLN Cc1ccc(-c2nnn[n-]2)c(NCc2cccc(NC(=O)c3ccccc3)c2)[nH+]1 ZINC000826277404 1449996720 /nfs/dbraw/zinc/99/67/20/1449996720.db2.gz SVDADFPNUVTNDP-UHFFFAOYSA-N 0 2 385.431 3.435 20 0 GGADLN C[C@@H]1CCN(c2ccc(C(F)(F)F)cc2-c2nnn[n-]2)C[C@H]1n1cc[nH+]c1 ZINC000820726788 1450261191 /nfs/dbraw/zinc/26/11/91/1450261191.db2.gz BVNRXSHVPFIWQJ-IAQYHMDHSA-N 0 2 377.374 3.170 20 0 GGADLN CC(C)Oc1cc(C[N@H+](Cc2cc(-c3nnn[n-]3)ccc2F)C2CC2)ccn1 ZINC000824319311 1450301294 /nfs/dbraw/zinc/30/12/94/1450301294.db2.gz LQMGAFMHALMJOK-UHFFFAOYSA-N 0 2 382.443 3.353 20 0 GGADLN CC(C)Oc1cc(C[N@@H+](Cc2cc(-c3nnn[n-]3)ccc2F)C2CC2)ccn1 ZINC000824319311 1450301301 /nfs/dbraw/zinc/30/13/01/1450301301.db2.gz LQMGAFMHALMJOK-UHFFFAOYSA-N 0 2 382.443 3.353 20 0 GGADLN C[C@@H]([NH2+]Cc1nc2cc(Cl)ccc2n1C)c1ccc(-c2nnn[n-]2)cc1F ZINC000824632579 1450339407 /nfs/dbraw/zinc/33/94/07/1450339407.db2.gz BUCSPVDGJFXPTE-SNVBAGLBSA-N 0 2 385.834 3.397 20 0 GGADLN O[C@H](CNc1[nH+]c2c(cc1-c1nnn[n-]1)CCC2)c1ccc(Cl)cc1Cl ZINC000738383840 1450356508 /nfs/dbraw/zinc/35/65/08/1450356508.db2.gz QVYXBMIQABWXPR-OAHLLOKOSA-N 0 2 391.262 3.203 20 0 GGADLN c1cn(Cc2cccc(CNc3cc(-c4nnn[n-]4)nc4ccccc43)c2)c[nH+]1 ZINC000738412792 1450358236 /nfs/dbraw/zinc/35/82/36/1450358236.db2.gz ITLQCOKLVTXIGO-UHFFFAOYSA-N 0 2 382.431 3.272 20 0 GGADLN C[C@@](NC(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1)(C(=O)[O-])C1CC1 ZINC000780399008 939116108 /nfs/dbraw/zinc/11/61/08/939116108.db2.gz RGGQJCMJENIPBY-KXBFYZLASA-N 0 2 397.878 3.169 20 0 GGADLN C[C@](NC(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1)(C(=O)[O-])C1CC1 ZINC000780399007 939116155 /nfs/dbraw/zinc/11/61/55/939116155.db2.gz RGGQJCMJENIPBY-HNAYVOBHSA-N 0 2 397.878 3.169 20 0 GGADLN CC[N@H+](CC(=O)N[C@@]1(C(=O)[O-])CCc2ccccc21)Cc1ccccc1Cl ZINC000908973226 939362736 /nfs/dbraw/zinc/36/27/36/939362736.db2.gz BZUHMEUDJGOIEV-NRFANRHFSA-N 0 2 386.879 3.204 20 0 GGADLN CC[N@@H+](CC(=O)N[C@@]1(C(=O)[O-])CCc2ccccc21)Cc1ccccc1Cl ZINC000908973226 939362739 /nfs/dbraw/zinc/36/27/39/939362739.db2.gz BZUHMEUDJGOIEV-NRFANRHFSA-N 0 2 386.879 3.204 20 0 GGADLN CC[N@H+](CC(=O)N[C@]1(C(=O)[O-])CCc2ccccc21)Cc1ccccc1Cl ZINC000908973227 939362792 /nfs/dbraw/zinc/36/27/92/939362792.db2.gz BZUHMEUDJGOIEV-OAQYLSRUSA-N 0 2 386.879 3.204 20 0 GGADLN CC[N@@H+](CC(=O)N[C@]1(C(=O)[O-])CCc2ccccc21)Cc1ccccc1Cl ZINC000908973227 939362793 /nfs/dbraw/zinc/36/27/93/939362793.db2.gz BZUHMEUDJGOIEV-OAQYLSRUSA-N 0 2 386.879 3.204 20 0 GGADLN CC[C@H](C(=O)N[C@](CC)(C(=O)[O-])c1ccc(Cl)cc1)[N@@H+]1CCO[C@H](CC)C1 ZINC000909609695 939723664 /nfs/dbraw/zinc/72/36/64/939723664.db2.gz VRKGUDPDYSBQSH-HLIPFELVSA-N 0 2 396.915 3.036 20 0 GGADLN CC[C@H](C(=O)N[C@](CC)(C(=O)[O-])c1ccc(Cl)cc1)[N@H+]1CCO[C@H](CC)C1 ZINC000909609695 939723666 /nfs/dbraw/zinc/72/36/66/939723666.db2.gz VRKGUDPDYSBQSH-HLIPFELVSA-N 0 2 396.915 3.036 20 0 GGADLN COc1ccc([C@H](NC(=O)[C@H](CC(C)C)n2cc[nH+]c2)C(=O)[O-])cc1Cl ZINC000909794757 939733016 /nfs/dbraw/zinc/73/30/16/939733016.db2.gz ISJICWKLKGAEAL-HOCLYGCPSA-N 0 2 379.844 3.074 20 0 GGADLN O=C([O-])[C@@H](C(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1)C1CCCC1 ZINC000663084110 939853579 /nfs/dbraw/zinc/85/35/79/939853579.db2.gz HILXKUVWNAMTOC-FUHWJXTLSA-N 0 2 396.890 3.451 20 0 GGADLN O=C([O-])[C@@H](C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1)C1CCCC1 ZINC000663084110 939853580 /nfs/dbraw/zinc/85/35/80/939853580.db2.gz HILXKUVWNAMTOC-FUHWJXTLSA-N 0 2 396.890 3.451 20 0 GGADLN O=C([O-])[C@@H](C(=O)Nc1nc2ccccc2n1CCCn1cc[nH+]c1)C1CCCC1 ZINC000663107819 939855786 /nfs/dbraw/zinc/85/57/86/939855786.db2.gz NUZXCZMEMWHLMK-GOSISDBHSA-N 0 2 395.463 3.153 20 0 GGADLN O=C([O-])[C@H]1CCCCC[N@@H+]1Cc1nc(-c2cccc(Br)c2)no1 ZINC000321765988 970805500 /nfs/dbraw/zinc/80/55/00/970805500.db2.gz NKIJDAPPRVCWJQ-CYBMUJFWSA-N 0 2 380.242 3.328 20 0 GGADLN O=C([O-])[C@H]1CCCCC[N@H+]1Cc1nc(-c2cccc(Br)c2)no1 ZINC000321765988 970805506 /nfs/dbraw/zinc/80/55/06/970805506.db2.gz NKIJDAPPRVCWJQ-CYBMUJFWSA-N 0 2 380.242 3.328 20 0 GGADLN O=C([O-])[C@]1(C(F)(F)F)CC[N@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000322470746 970891431 /nfs/dbraw/zinc/89/14/31/970891431.db2.gz LTVBXNQAYNBCDR-LBPRGKRZSA-N 0 2 397.147 3.196 20 0 GGADLN O=C([O-])[C@]1(C(F)(F)F)CC[N@@H+](Cc2ccc(Br)cc2[N+](=O)[O-])C1 ZINC000322470746 970891438 /nfs/dbraw/zinc/89/14/38/970891438.db2.gz LTVBXNQAYNBCDR-LBPRGKRZSA-N 0 2 397.147 3.196 20 0 GGADLN O=C([O-])[C@]1(C(F)(F)F)CC[N@H+](CC(=O)Nc2ccc(Cl)c(Cl)c2)C1 ZINC000324505588 971127006 /nfs/dbraw/zinc/12/70/06/971127006.db2.gz OZQYSIDKMGDZLZ-ZDUSSCGKSA-N 0 2 385.169 3.271 20 0 GGADLN O=C([O-])[C@]1(C(F)(F)F)CC[N@@H+](CC(=O)Nc2ccc(Cl)c(Cl)c2)C1 ZINC000324505588 971127011 /nfs/dbraw/zinc/12/70/11/971127011.db2.gz OZQYSIDKMGDZLZ-ZDUSSCGKSA-N 0 2 385.169 3.271 20 0 GGADLN CC[C@H](NC(=O)C[NH2+][C@@H](C(=O)[O-])c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC001589564764 948846294 /nfs/dbraw/zinc/84/62/94/948846294.db2.gz LHAYNYBSJGODJW-FUHWJXTLSA-N 0 2 378.831 3.462 20 0 GGADLN CC[C@@H](NC(=O)C[NH2+][C@H](C(=O)[O-])c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC001589564763 948846576 /nfs/dbraw/zinc/84/65/76/948846576.db2.gz LHAYNYBSJGODJW-AEFFLSMTSA-N 0 2 378.831 3.462 20 0 GGADLN O=C([O-])[C@@H]1CN(C(=O)c2ccc(-n3cc[nH+]c3)cc2)C[C@H]1c1ccc(Cl)cc1 ZINC000366355298 971545827 /nfs/dbraw/zinc/54/58/27/971545827.db2.gz OWBQAUXGDZOVLW-RBUKOAKNSA-N 0 2 395.846 3.466 20 0 GGADLN CC[C@@]1(C(=O)[O-])CCCN(C(=O)NCc2c(Cl)cccc2-n2cc[nH+]c2)C1 ZINC001589593730 949118243 /nfs/dbraw/zinc/11/82/43/949118243.db2.gz GDEFJXTVUOPQGH-LJQANCHMSA-N 0 2 390.871 3.312 20 0 GGADLN O=C([O-])c1cccc(C(=O)NCCc2cn(Cc3ccc(Cl)cc3)c[nH+]2)c1 ZINC001595240275 949441651 /nfs/dbraw/zinc/44/16/51/949441651.db2.gz HJQWCNCYEUKWHS-UHFFFAOYSA-N 0 2 383.835 3.256 20 0 GGADLN O=C([O-])c1cncc(NC(=O)N(CCn2cc[nH+]c2)Cc2cccc(Cl)c2)c1 ZINC001595271508 949832019 /nfs/dbraw/zinc/83/20/19/949832019.db2.gz SNKGCKDSIWFKPY-UHFFFAOYSA-N 0 2 399.838 3.364 20 0 GGADLN C[C@H]1C[C@H](C(=O)[O-])C[N@H+](Cc2ncc(Br)cc2Br)C1 ZINC000263015178 950215843 /nfs/dbraw/zinc/21/58/43/950215843.db2.gz CVUGPFVEQFENLY-IUCAKERBSA-N 0 2 392.091 3.149 20 0 GGADLN C[C@H]1C[C@H](C(=O)[O-])C[N@@H+](Cc2ncc(Br)cc2Br)C1 ZINC000263015178 950215858 /nfs/dbraw/zinc/21/58/58/950215858.db2.gz CVUGPFVEQFENLY-IUCAKERBSA-N 0 2 392.091 3.149 20 0 GGADLN C[C@H](C(=O)[O-])[N@H+](CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1)C1CC1 ZINC000263157250 950301512 /nfs/dbraw/zinc/30/15/12/950301512.db2.gz QDMDIIBSCKKBKT-CQSZACIVSA-N 0 2 384.480 3.046 20 0 GGADLN C[C@H](C(=O)[O-])[N@@H+](CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1)C1CC1 ZINC000263157250 950301529 /nfs/dbraw/zinc/30/15/29/950301529.db2.gz QDMDIIBSCKKBKT-CQSZACIVSA-N 0 2 384.480 3.046 20 0 GGADLN O=C([O-])c1cccc(C[NH+]2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)c1 ZINC000263485025 950488534 /nfs/dbraw/zinc/48/85/34/950488534.db2.gz PDPSSUMFQWRKBE-UHFFFAOYSA-N 0 2 392.377 3.362 20 0 GGADLN CC(C)(C)c1ccc(C(=O)Cn2cc3c(c(-c4nn[nH]n4)c2=O)CCCC3)cc1 ZINC001573882197 950771641 /nfs/dbraw/zinc/77/16/41/950771641.db2.gz XJVDWBKERCPOJX-UHFFFAOYSA-N 0 2 391.475 3.088 20 0 GGADLN O=C([O-])CC[C@H]1CCCCN1C(=O)NCc1c(Cl)cccc1-n1cc[nH+]c1 ZINC001595010945 951240128 /nfs/dbraw/zinc/24/01/28/951240128.db2.gz CDWIWHLILRUOPC-CQSZACIVSA-N 0 2 390.871 3.455 20 0 GGADLN CCOc1ccccc1[C@@H](CC)NC(=O)C[NH2+][C@@H](C(=O)[O-])c1cccc(C)c1 ZINC001593042318 951386283 /nfs/dbraw/zinc/38/62/83/951386283.db2.gz BAUYPKKXWMAXRZ-WIYYLYMNSA-N 0 2 384.476 3.377 20 0 GGADLN CCOc1ccccc1[C@H](CC)NC(=O)C[NH2+][C@@H](C(=O)[O-])c1cccc(C)c1 ZINC001593042287 951386985 /nfs/dbraw/zinc/38/69/85/951386985.db2.gz BAUYPKKXWMAXRZ-GHTZIAJQSA-N 0 2 384.476 3.377 20 0 GGADLN CCOc1ccccc1C[N@@H+]1CCN(C(=O)[C@H](C(=O)[O-])C2CCCC2)[C@@H](C)C1 ZINC001593042434 951387510 /nfs/dbraw/zinc/38/75/10/951387510.db2.gz GWKRJCSBUXNOPF-OXJNMPFZSA-N 0 2 388.508 3.009 20 0 GGADLN CCOc1ccccc1C[N@H+]1CCN(C(=O)[C@H](C(=O)[O-])C2CCCC2)[C@@H](C)C1 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CCOc1ccccc1C[N@H+]1CCN(C(=O)c2coc(/C=C\C(=O)[O-])c2)[C@H](C)C1 ZINC000901624360 956387146 /nfs/dbraw/zinc/38/71/46/956387146.db2.gz RRRIXAIQUPAHQN-HLRDLLSLSA-N 0 2 398.459 3.123 20 0 GGADLN CCOc1ccccc1C[N@@H+]1CCN(C(=O)c2coc(/C=C/C(=O)[O-])c2)[C@@H](C)C1 ZINC000901624359 956387749 /nfs/dbraw/zinc/38/77/49/956387749.db2.gz RRRIXAIQUPAHQN-FDMDGMSGSA-N 0 2 398.459 3.123 20 0 GGADLN CCOc1ccccc1C[N@H+]1CCN(C(=O)c2coc(/C=C/C(=O)[O-])c2)[C@@H](C)C1 ZINC000901624359 956387762 /nfs/dbraw/zinc/38/77/62/956387762.db2.gz RRRIXAIQUPAHQN-FDMDGMSGSA-N 0 2 398.459 3.123 20 0 GGADLN C[C@H](c1cccc(NC(=O)N2CCC[C@@H](CCC(=O)[O-])C2)c1)[NH+]1CCOCC1 ZINC001589175035 956489530 /nfs/dbraw/zinc/48/95/30/956489530.db2.gz MQCCFUUAVSHKGC-SJORKVTESA-N 0 2 389.496 3.189 20 0 GGADLN COc1cccc([C@@H](C)[NH+]2CCN(C(=O)C3(C(=O)[O-])C(C)(C)C3(C)C)CC2)c1 ZINC000901970829 956577629 /nfs/dbraw/zinc/57/76/29/956577629.db2.gz CDAPOQBIRVOILK-OAHLLOKOSA-N 0 2 388.508 3.037 20 0 GGADLN O=C([O-])c1ccc(/C=C/C(=O)NCCc2cn(Cc3ccc(Cl)cc3)c[nH+]2)o1 ZINC001594672216 956621012 /nfs/dbraw/zinc/62/10/12/956621012.db2.gz CGMAYAFMBFJEJD-SOFGYWHQSA-N 0 2 399.834 3.248 20 0 GGADLN COC[C@]1(C(=O)[O-])C[N@H+](Cc2ccc(-c3ccccc3)c(Cl)c2)CCO1 ZINC001593984258 956744897 /nfs/dbraw/zinc/74/48/97/956744897.db2.gz OXORROODPGMNAV-FQEVSTJZSA-N 0 2 375.852 3.309 20 0 GGADLN COC[C@]1(C(=O)[O-])C[N@@H+](Cc2ccc(-c3ccccc3)c(Cl)c2)CCO1 ZINC001593984258 956744908 /nfs/dbraw/zinc/74/49/08/956744908.db2.gz OXORROODPGMNAV-FQEVSTJZSA-N 0 2 375.852 3.309 20 0 GGADLN CC[C@@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)[C@@H](C(=O)[O-])C2CCCC2)CC1 ZINC000902627000 956753654 /nfs/dbraw/zinc/75/36/54/956753654.db2.gz FXUGQAKTWAXLMQ-OALUTQOASA-N 0 2 376.472 3.312 20 0 GGADLN Cc1cccc(NC(=O)C[N@@H+](C)Cc2ccc(N3CCC(C(=O)[O-])CC3)o2)c1C ZINC000904189154 956914857 /nfs/dbraw/zinc/91/48/57/956914857.db2.gz CHMFDBGVXFRSQT-UHFFFAOYSA-N 0 2 399.491 3.268 20 0 GGADLN Cc1cccc(NC(=O)C[N@H+](C)Cc2ccc(N3CCC(C(=O)[O-])CC3)o2)c1C ZINC000904189154 956914873 /nfs/dbraw/zinc/91/48/73/956914873.db2.gz CHMFDBGVXFRSQT-UHFFFAOYSA-N 0 2 399.491 3.268 20 0 GGADLN O=C([O-])C1CCN(c2ccc(C[N@@H+]3CCO[C@H](c4ccc(F)cc4)C3)o2)CC1 ZINC000904190728 956918000 /nfs/dbraw/zinc/91/80/00/956918000.db2.gz JYJKIMCHYMZOOT-IBGZPJMESA-N 0 2 388.439 3.293 20 0 GGADLN O=C([O-])C1CCN(c2ccc(C[N@H+]3CCO[C@H](c4ccc(F)cc4)C3)o2)CC1 ZINC000904190728 956918018 /nfs/dbraw/zinc/91/80/18/956918018.db2.gz JYJKIMCHYMZOOT-IBGZPJMESA-N 0 2 388.439 3.293 20 0 GGADLN CC[C@]1(C(=O)[O-])CCC[N@@H+]([C@@H](C)C(=O)Nc2c(F)c(F)c(F)c(F)c2F)C1 ZINC000923469765 957119170 /nfs/dbraw/zinc/11/91/70/957119170.db2.gz YFMRDDWJTYTCGV-QPFGOUBPSA-N 0 2 394.340 3.286 20 0 GGADLN CC[C@]1(C(=O)[O-])CCC[N@H+]([C@@H](C)C(=O)Nc2c(F)c(F)c(F)c(F)c2F)C1 ZINC000923469765 957119179 /nfs/dbraw/zinc/11/91/79/957119179.db2.gz YFMRDDWJTYTCGV-QPFGOUBPSA-N 0 2 394.340 3.286 20 0 GGADLN CC[C@@]1(C(=O)[O-])CCCN(C(=O)Nc2nc(C[N@@H+]3CCC[C@@H](C)C3)cs2)C1 ZINC000925913475 957133658 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ANLDEYIGEOPCRW-DOMZBBRYSA-N 0 2 385.867 3.026 20 0 GGADLN Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)Nc2cc(C(=O)[O-])ccn2)c(C)c1 ZINC001594350989 958353107 /nfs/dbraw/zinc/35/31/07/958353107.db2.gz RRUCCODQPKLELR-QGZVFWFLSA-N 0 2 379.420 3.156 20 0 GGADLN Cc1ccc([C@H](Cn2cc[nH+]c2)NC(=O)NCc2ccccc2C(=O)[O-])c(C)c1 ZINC001594351192 958357717 /nfs/dbraw/zinc/35/77/17/958357717.db2.gz VMVCGMYFSMHNAQ-FQEVSTJZSA-N 0 2 392.459 3.439 20 0 GGADLN COc1ccc(C[N@H+]2Cc3ccccc3[C@H](C(=O)[O-])C2)c(Br)c1O ZINC001594094036 958383160 /nfs/dbraw/zinc/38/31/60/958383160.db2.gz GPUUSFRYMNUGLQ-CQSZACIVSA-N 0 2 392.249 3.347 20 0 GGADLN COc1ccc(C[N@@H+]2Cc3ccccc3[C@H](C(=O)[O-])C2)c(Br)c1O ZINC001594094036 958383175 /nfs/dbraw/zinc/38/31/75/958383175.db2.gz GPUUSFRYMNUGLQ-CQSZACIVSA-N 0 2 392.249 3.347 20 0 GGADLN COc1ccc(C[N@H+]2Cc3ccccc3[C@@H](C(=O)[O-])C2)c(Br)c1O ZINC001594094034 958383253 /nfs/dbraw/zinc/38/32/53/958383253.db2.gz GPUUSFRYMNUGLQ-AWEZNQCLSA-N 0 2 392.249 3.347 20 0 GGADLN COc1ccc(C[N@@H+]2Cc3ccccc3[C@@H](C(=O)[O-])C2)c(Br)c1O ZINC001594094034 958383262 /nfs/dbraw/zinc/38/32/62/958383262.db2.gz GPUUSFRYMNUGLQ-AWEZNQCLSA-N 0 2 392.249 3.347 20 0 GGADLN Cc1ccc(NC(=O)C[NH2+][C@@H](C(=O)[O-])c2ccc(F)cc2)c(Br)c1 ZINC001594369999 958540179 /nfs/dbraw/zinc/54/01/79/958540179.db2.gz XHOHQNWYVPLPJK-MRXNPFEDSA-N 0 2 395.228 3.251 20 0 GGADLN Cc1cccc([C@@H]([NH2+][C@H]2CCN(c3ccc(Cl)c(F)c3)C2=O)C(=O)[O-])c1 ZINC001594399180 958821644 /nfs/dbraw/zinc/82/16/44/958821644.db2.gz LRJMLUCYANKKTJ-DLBZAZTESA-N 0 2 376.815 3.308 20 0 GGADLN Cc1[nH+]c(NCc2ccc(N3CCC[C@H](C(=O)[O-])C3)o2)ccc1-c1cnn(C)c1 ZINC001594460203 959446637 /nfs/dbraw/zinc/44/66/37/959446637.db2.gz WGRIFRUVWIHMJU-HNNXBMFYSA-N 0 2 395.463 3.297 20 0 GGADLN Cc1[nH+]c2cc(F)c(F)cc2n1CC(=O)N1CC[C@H](C(=O)[O-])c2ccccc21 ZINC001594463180 959477608 /nfs/dbraw/zinc/47/76/08/959477608.db2.gz QILCNAAXTMMPHS-ZDUSSCGKSA-N 0 2 385.370 3.228 20 0 GGADLN Cc1nc(NCc2cccc(C(=O)N[C@H](C(=O)[O-])c3ccc(F)cc3)c2)cc[nH+]1 ZINC001594470871 959556722 /nfs/dbraw/zinc/55/67/22/959556722.db2.gz MLJBWGKLPHGFNE-IBGZPJMESA-N 0 2 394.406 3.092 20 0 GGADLN C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)C[NH2+][C@@](C)(C(=O)[O-])c1ccccc1 ZINC001573642903 959624605 /nfs/dbraw/zinc/62/46/05/959624605.db2.gz LCIWUWMWYFCTSL-ZUOKHONESA-N 0 2 376.403 3.074 20 0 GGADLN C[C@H](c1ccsc1)[NH+]1CCN(C(=O)Nc2ccc(C(=O)[O-])cc2F)CC1 ZINC001573644153 959630819 /nfs/dbraw/zinc/63/08/19/959630819.db2.gz WLSQOZRFDRIHBF-GFCCVEGCSA-N 0 2 377.441 3.496 20 0 GGADLN Cc1[nH]c(C(=O)[C@@H](C)N2CC[NH+](C/C=C\c3ccccc3)CC2)c(C)c1C(=O)[O-] ZINC000206051363 959661155 /nfs/dbraw/zinc/66/11/55/959661155.db2.gz SRXNFLNKJZAZRG-IEODJVTJSA-N 0 2 395.503 3.232 20 0 GGADLN O=C([O-])c1cccc2c1CC[N@H+](CC(=O)Nc1ccc(Br)cc1)C2 ZINC000392368660 972476532 /nfs/dbraw/zinc/47/65/32/972476532.db2.gz ONJJPUGFOVRFSO-UHFFFAOYSA-N 0 2 389.249 3.144 20 0 GGADLN O=C([O-])c1cccc2c1CC[N@@H+](CC(=O)Nc1ccc(Br)cc1)C2 ZINC000392368660 972476536 /nfs/dbraw/zinc/47/65/36/972476536.db2.gz ONJJPUGFOVRFSO-UHFFFAOYSA-N 0 2 389.249 3.144 20 0 GGADLN O=C([O-])c1ncccc1NC(=O)NCCN(Cc1ccccc1)c1cccc[nH+]1 ZINC001605780802 972493286 /nfs/dbraw/zinc/49/32/86/972493286.db2.gz VANBDPLYHGBEML-UHFFFAOYSA-N 0 2 391.431 3.003 20 0 GGADLN CN(C)c1[nH+]ccc2cc(NC(=O)N[C@@H](Cc3ccccc3)C(=O)[O-])ccc21 ZINC001604093005 972498994 /nfs/dbraw/zinc/49/89/94/972498994.db2.gz LEKWSHPKQAREII-SFHVURJKSA-N 0 2 378.432 3.118 20 0 GGADLN CC(C)(C)OC(=O)C[N@@H+](Cc1ccc(N2CCC(C(=O)[O-])CC2)o1)CC1CC1 ZINC001588670976 960522948 /nfs/dbraw/zinc/52/29/48/960522948.db2.gz ULZHYEIYTDEZFG-UHFFFAOYSA-N 0 2 392.496 3.134 20 0 GGADLN CC(C)(C)OC(=O)C[N@H+](Cc1ccc(N2CCC(C(=O)[O-])CC2)o1)CC1CC1 ZINC001588670976 960522960 /nfs/dbraw/zinc/52/29/60/960522960.db2.gz ULZHYEIYTDEZFG-UHFFFAOYSA-N 0 2 392.496 3.134 20 0 GGADLN CC[C@@H](C(=O)[O-])[N@H+](C)CC(=O)Nc1cc(-c2ccccc2)nn1-c1ccccc1 ZINC001573767959 960633098 /nfs/dbraw/zinc/63/30/98/960633098.db2.gz HOTRSTPOYZMGIZ-IBGZPJMESA-N 0 2 392.459 3.273 20 0 GGADLN CC[C@@H](C(=O)[O-])[N@@H+](C)CC(=O)Nc1cc(-c2ccccc2)nn1-c1ccccc1 ZINC001573767959 960633111 /nfs/dbraw/zinc/63/31/11/960633111.db2.gz HOTRSTPOYZMGIZ-IBGZPJMESA-N 0 2 392.459 3.273 20 0 GGADLN CC[C@@H](c1ccc(F)cc1)[NH+]1CCN(C(=O)Nc2cncc(C(=O)[O-])c2)CC1 ZINC001573814691 960923293 /nfs/dbraw/zinc/92/32/93/960923293.db2.gz WHEFRGLOPJBIFK-SFHVURJKSA-N 0 2 386.427 3.220 20 0 GGADLN Cc1cccc(NC(=O)c2ccccc2NC(=O)C[N@@H+]([C@H](C)C(=O)[O-])C2CC2)c1 ZINC001574397708 961220795 /nfs/dbraw/zinc/22/07/95/961220795.db2.gz ZKZMCMLARODIPW-OAHLLOKOSA-N 0 2 395.459 3.123 20 0 GGADLN Cc1cccc(NC(=O)c2ccccc2NC(=O)C[N@H+]([C@H](C)C(=O)[O-])C2CC2)c1 ZINC001574397708 961220821 /nfs/dbraw/zinc/22/08/21/961220821.db2.gz ZKZMCMLARODIPW-OAHLLOKOSA-N 0 2 395.459 3.123 20 0 GGADLN CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)C1(C(=O)[O-])C(C)(C)C1(C)C ZINC001573879402 961262544 /nfs/dbraw/zinc/26/25/44/961262544.db2.gz ANCBNWKPOZFXNA-UHFFFAOYSA-N 0 2 387.524 3.284 20 0 GGADLN CC(C)[C@@H](CNC(=O)[C@H](c1cccc(Br)c1)[NH+]1CCCC1)C(=O)[O-] ZINC001588817511 961602429 /nfs/dbraw/zinc/60/24/29/961602429.db2.gz ZEMKGBYNAWOTID-CVEARBPZSA-N 0 2 397.313 3.059 20 0 GGADLN Cc1oc(CN(C)C(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)cc1C(=O)[O-] ZINC001334978926 961863769 /nfs/dbraw/zinc/86/37/69/961863769.db2.gz CCSGCAODSOFORD-GOSISDBHSA-N 0 2 388.489 3.035 20 0 GGADLN O=C([O-])[C@H](Sc1nnc(C[NH+]2CCCC2)n1-c1ccc(Cl)cc1)C1CC1 ZINC001574621913 962255939 /nfs/dbraw/zinc/25/59/39/962255939.db2.gz UJXRWYNTQXARGM-MRXNPFEDSA-N 0 2 392.912 3.472 20 0 GGADLN O=C([O-])[C@@H]1CCN(C(=O)Cc2c[nH+]cn2Cc2ccccc2)c2ccccc21 ZINC001574656206 962459518 /nfs/dbraw/zinc/45/95/18/962459518.db2.gz QNIQKOPRLCINJM-LJQANCHMSA-N 0 2 375.428 3.079 20 0 GGADLN C[C@H]1C[NH+](Cc2ccccc2NC(=O)NCc2ccc(C(=O)[O-])cc2)C[C@H](C)O1 ZINC000263508143 962689599 /nfs/dbraw/zinc/68/95/99/962689599.db2.gz WNCCZJLIBSEGLK-HOTGVXAUSA-N 0 2 397.475 3.316 20 0 GGADLN O=C([O-])c1cccc(NC[C@@H](c2ccc(C(F)(F)F)cc2)[NH+]2CCOCC2)n1 ZINC000263536751 962717623 /nfs/dbraw/zinc/71/76/23/962717623.db2.gz ZQZVRONWFSSLBU-INIZCTEOSA-N 0 2 395.381 3.284 20 0 GGADLN O=C([O-])C[N@H+](Cc1ccco1)C[C@@H](O)Cn1c2ccccc2c2ccccc21 ZINC001574716627 962727608 /nfs/dbraw/zinc/72/76/08/962727608.db2.gz WZJXCAPPFZDVON-MRXNPFEDSA-N 0 2 378.428 3.335 20 0 GGADLN O=C([O-])C[N@@H+](Cc1ccco1)C[C@@H](O)Cn1c2ccccc2c2ccccc21 ZINC001574716627 962727619 /nfs/dbraw/zinc/72/76/19/962727619.db2.gz WZJXCAPPFZDVON-MRXNPFEDSA-N 0 2 378.428 3.335 20 0 GGADLN CC(C)[N@H+](CC(=O)[O-])CC(=O)Nc1cc(C2CCCC2)nn1-c1ccccc1 ZINC000263577000 962742413 /nfs/dbraw/zinc/74/24/13/962742413.db2.gz RAROJKIFWUBSPV-UHFFFAOYSA-N 0 2 384.480 3.263 20 0 GGADLN CC(C)[N@@H+](CC(=O)[O-])CC(=O)Nc1cc(C2CCCC2)nn1-c1ccccc1 ZINC000263577000 962742428 /nfs/dbraw/zinc/74/24/28/962742428.db2.gz RAROJKIFWUBSPV-UHFFFAOYSA-N 0 2 384.480 3.263 20 0 GGADLN C[C@@H](C(=O)Nc1ccccc1C(=O)c1ccccc1)[NH+]1CCC(C(=O)[O-])CC1 ZINC000263579414 962744141 /nfs/dbraw/zinc/74/41/41/962744141.db2.gz UQXNLSMETMKBIV-HNNXBMFYSA-N 0 2 380.444 3.041 20 0 GGADLN O=C([O-])COc1cccc(NC(=O)[C@H]2CCCC[N@@H+]2Cc2cccc(F)c2)c1 ZINC001520161282 962819209 /nfs/dbraw/zinc/81/92/09/962819209.db2.gz TVCWMFXYIYFCSJ-LJQANCHMSA-N 0 2 386.423 3.282 20 0 GGADLN O=C([O-])COc1cccc(NC(=O)[C@H]2CCCC[N@H+]2Cc2cccc(F)c2)c1 ZINC001520161282 962819223 /nfs/dbraw/zinc/81/92/23/962819223.db2.gz TVCWMFXYIYFCSJ-LJQANCHMSA-N 0 2 386.423 3.282 20 0 GGADLN O=C([O-])C[C@@H]1CCC[N@H+](Cc2ncc(Br)cc2Br)C1 ZINC000135398210 967641052 /nfs/dbraw/zinc/64/10/52/967641052.db2.gz QNVWHIUINIEEBE-VIFPVBQESA-N 0 2 392.091 3.293 20 0 GGADLN O=C([O-])C[C@@H]1CCC[N@@H+](Cc2ncc(Br)cc2Br)C1 ZINC000135398210 967641056 /nfs/dbraw/zinc/64/10/56/967641056.db2.gz QNVWHIUINIEEBE-VIFPVBQESA-N 0 2 392.091 3.293 20 0 GGADLN C[C@@H](C(=O)[O-])[N@H+](CC(=O)NCc1ccc(-c2ccc(Cl)cc2)o1)C1CC1 ZINC000263192343 967860185 /nfs/dbraw/zinc/86/01/85/967860185.db2.gz VYZOZEGYPUIUOA-LBPRGKRZSA-N 0 2 376.840 3.154 20 0 GGADLN C[C@@H](C(=O)[O-])[N@@H+](CC(=O)NCc1ccc(-c2ccc(Cl)cc2)o1)C1CC1 ZINC000263192343 967860194 /nfs/dbraw/zinc/86/01/94/967860194.db2.gz VYZOZEGYPUIUOA-LBPRGKRZSA-N 0 2 376.840 3.154 20 0 GGADLN O=C([O-])c1ccc(C[NH+]2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)cc1 ZINC000263581776 967901477 /nfs/dbraw/zinc/90/14/77/967901477.db2.gz XPZUZIOVMPXJIX-UHFFFAOYSA-N 0 2 392.377 3.362 20 0 GGADLN Cn1nc(C(=O)[O-])cc1C[N@@H+]1C[C@@H](c2cccc(C(F)(F)F)c2)OC(C)(C)C1 ZINC000635311429 968542211 /nfs/dbraw/zinc/54/22/11/968542211.db2.gz CJBMFQZJUVCPPC-INIZCTEOSA-N 0 2 397.397 3.489 20 0 GGADLN Cn1nc(C(=O)[O-])cc1C[N@H+]1C[C@@H](c2cccc(C(F)(F)F)c2)OC(C)(C)C1 ZINC000635311429 968542215 /nfs/dbraw/zinc/54/22/15/968542215.db2.gz CJBMFQZJUVCPPC-INIZCTEOSA-N 0 2 397.397 3.489 20 0 GGADLN Cn1nc(C(=O)[O-])cc1C[N@@H+]1C[C@H](c2cccc(C(F)(F)F)c2)OC(C)(C)C1 ZINC000635311440 968542667 /nfs/dbraw/zinc/54/26/67/968542667.db2.gz CJBMFQZJUVCPPC-MRXNPFEDSA-N 0 2 397.397 3.489 20 0 GGADLN Cn1nc(C(=O)[O-])cc1C[N@H+]1C[C@H](c2cccc(C(F)(F)F)c2)OC(C)(C)C1 ZINC000635311440 968542674 /nfs/dbraw/zinc/54/26/74/968542674.db2.gz CJBMFQZJUVCPPC-MRXNPFEDSA-N 0 2 397.397 3.489 20 0 GGADLN CCC(CC)(C(=O)[O-])C(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000653298838 968643839 /nfs/dbraw/zinc/64/38/39/968643839.db2.gz MPDHUDURAQSBQY-HNNXBMFYSA-N 0 2 384.879 3.451 20 0 GGADLN CCC(CC)(C(=O)[O-])C(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000653298838 968643845 /nfs/dbraw/zinc/64/38/45/968643845.db2.gz MPDHUDURAQSBQY-HNNXBMFYSA-N 0 2 384.879 3.451 20 0 GGADLN C[C@@H](NC(=O)NCc1cc[nH+]c(N2CCCCC2)c1)[C@@H]1C[C@H](C(=O)[O-])C1(C)C ZINC000655860732 968694981 /nfs/dbraw/zinc/69/49/81/968694981.db2.gz LAZQUFRETGCWGI-HYVNUMGLSA-N 0 2 388.512 3.007 20 0 GGADLN CC(C)C[C@H](CNC(=O)NCc1cc[nH+]c(N2CCCCC2)c1)CC(=O)[O-] ZINC000659392704 968729516 /nfs/dbraw/zinc/72/95/16/968729516.db2.gz QGFRYMOBOOKKDM-KRWDZBQOSA-N 0 2 376.501 3.008 20 0 GGADLN CC[N@H+](CC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H](C)C(=O)[O-] ZINC000662215060 968754813 /nfs/dbraw/zinc/75/48/13/968754813.db2.gz FGBTXLNZOHAOTR-MRVPVSSYSA-N 0 2 386.292 3.458 20 0 GGADLN CC[N@@H+](CC(=O)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@H](C)C(=O)[O-] ZINC000662215060 968754823 /nfs/dbraw/zinc/75/48/23/968754823.db2.gz FGBTXLNZOHAOTR-MRVPVSSYSA-N 0 2 386.292 3.458 20 0 GGADLN C[C@H](c1cccc(NC(=O)N2CCCC[C@@H]2CCC(=O)[O-])c1)[NH+]1CCOCC1 ZINC000899310152 969417941 /nfs/dbraw/zinc/41/79/41/969417941.db2.gz ASCFNEVSJYJFJN-VQIMIIECSA-N 0 2 389.496 3.331 20 0 GGADLN O=C([O-])CC[C@H]1C[C@H](C(=O)Nc2ccc(-c3[nH+]cc4n3CCCC4)cc2)CO1 ZINC000901739306 969469235 /nfs/dbraw/zinc/46/92/35/969469235.db2.gz QWPZJVCQNUHOHL-YJBOKZPZSA-N 0 2 383.448 3.095 20 0 GGADLN O=C([O-])/C=C/c1cc(C(=O)N2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)co1 ZINC000901968643 969498788 /nfs/dbraw/zinc/49/87/88/969498788.db2.gz DABGLEPCPVEDSI-VOTSOKGWSA-N 0 2 388.851 3.379 20 0 GGADLN O=C([O-])/C=C/c1cc(C(=O)N2CCC[N@@H+](Cc3ccc(Cl)cc3)CC2)co1 ZINC000901968643 969498793 /nfs/dbraw/zinc/49/87/93/969498793.db2.gz DABGLEPCPVEDSI-VOTSOKGWSA-N 0 2 388.851 3.379 20 0 GGADLN CCOc1ccccc1C[N@@H+]1CCN(C(=O)c2cc(C)cc(C(=O)[O-])c2)[C@H](C)C1 ZINC000911574836 969639124 /nfs/dbraw/zinc/63/91/24/969639124.db2.gz SESGOTMYQOLLGL-QGZVFWFLSA-N 0 2 396.487 3.438 20 0 GGADLN CCOc1ccccc1C[N@H+]1CCN(C(=O)c2cc(C)cc(C(=O)[O-])c2)[C@H](C)C1 ZINC000911574836 969639130 /nfs/dbraw/zinc/63/91/30/969639130.db2.gz SESGOTMYQOLLGL-QGZVFWFLSA-N 0 2 396.487 3.438 20 0 GGADLN CCOc1ccccc1C[N@@H+]1CCN(C(=O)c2cc(C)cc(C(=O)[O-])c2)[C@@H](C)C1 ZINC000911574835 969639357 /nfs/dbraw/zinc/63/93/57/969639357.db2.gz SESGOTMYQOLLGL-KRWDZBQOSA-N 0 2 396.487 3.438 20 0 GGADLN CCOc1ccccc1C[N@H+]1CCN(C(=O)c2cc(C)cc(C(=O)[O-])c2)[C@@H](C)C1 ZINC000911574835 969639363 /nfs/dbraw/zinc/63/93/63/969639363.db2.gz SESGOTMYQOLLGL-KRWDZBQOSA-N 0 2 396.487 3.438 20 0 GGADLN C[C@H](c1cccnc1)[NH+]1CCN(C(=O)Nc2cccc(CCC(=O)[O-])c2)CC1 ZINC001610019045 970641461 /nfs/dbraw/zinc/64/14/61/970641461.db2.gz VXAZTAWJMJVADU-MRXNPFEDSA-N 0 2 382.464 3.010 20 0 GGADLN O=C([O-])[C@@H](NC(=O)Nc1ccccc1OCCn1cc[nH+]c1)c1ccc(F)cc1 ZINC001605867084 972625879 /nfs/dbraw/zinc/62/58/79/972625879.db2.gz QPSHOXRXCAUJQB-SFHVURJKSA-N 0 2 398.394 3.049 20 0 GGADLN C[N@@H+]1CC[C@H](NC(=O)Nc2ccccc2CC(=O)[O-])[C@@H]1c1ccc(F)c(F)c1 ZINC001604209301 972680573 /nfs/dbraw/zinc/68/05/73/972680573.db2.gz UZRYJNGIDRFGLW-HKUYNNGSSA-N 0 2 389.402 3.159 20 0 GGADLN C[N@H+]1CC[C@H](NC(=O)Nc2ccccc2CC(=O)[O-])[C@@H]1c1ccc(F)c(F)c1 ZINC001604209301 972680577 /nfs/dbraw/zinc/68/05/77/972680577.db2.gz UZRYJNGIDRFGLW-HKUYNNGSSA-N 0 2 389.402 3.159 20 0 GGADLN C[N@@H+]1Cc2ccccc2[C@@H]1CNC(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl ZINC001604231465 972735511 /nfs/dbraw/zinc/73/55/11/972735511.db2.gz SYNLSMFGZHTRKU-AWEZNQCLSA-N 0 2 377.803 3.486 20 0 GGADLN C[N@H+]1Cc2ccccc2[C@@H]1CNC(=O)Nc1ccc(F)c(C(=O)[O-])c1Cl ZINC001604231465 972735518 /nfs/dbraw/zinc/73/55/18/972735518.db2.gz SYNLSMFGZHTRKU-AWEZNQCLSA-N 0 2 377.803 3.486 20 0 GGADLN Cc1cc(C)c(CNS(=O)(=O)c2c3ccccc3sc2C(=O)[O-])c[nH+]1 ZINC000397528589 973008319 /nfs/dbraw/zinc/00/83/19/973008319.db2.gz ZHANWUHUNWBJMB-UHFFFAOYSA-N 0 2 376.459 3.090 20 0 GGADLN O=C([O-])[C@@H]1CCCN(c2ccc(CNc3ccc([NH+]4CCC(O)CC4)cc3)o2)C1 ZINC001605998203 973075566 /nfs/dbraw/zinc/07/55/66/973075566.db2.gz JTPXPJRENQYALV-MRXNPFEDSA-N 0 2 399.491 3.154 20 0 GGADLN C[C@H]1CCC[N@H+](CC(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)[C@H]1C(=O)[O-] ZINC001603409649 973084828 /nfs/dbraw/zinc/08/48/28/973084828.db2.gz LBORAKQGHFTUDS-IFXJQAMLSA-N 0 2 388.464 3.242 20 0 GGADLN C[C@H]1CCC[N@@H+](CC(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)[C@H]1C(=O)[O-] ZINC001603409649 973084837 /nfs/dbraw/zinc/08/48/37/973084837.db2.gz LBORAKQGHFTUDS-IFXJQAMLSA-N 0 2 388.464 3.242 20 0 GGADLN C[C@@H]1CCC[N@H+](CC(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)[C@@H]1C(=O)[O-] ZINC001603409652 973086148 /nfs/dbraw/zinc/08/61/48/973086148.db2.gz LBORAKQGHFTUDS-KUHUBIRLSA-N 0 2 388.464 3.242 20 0 GGADLN C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc3c(c2)OC2(CCCCC2)O3)[C@@H]1C(=O)[O-] ZINC001603409652 973086161 /nfs/dbraw/zinc/08/61/61/973086161.db2.gz LBORAKQGHFTUDS-KUHUBIRLSA-N 0 2 388.464 3.242 20 0 GGADLN O=C([O-])C1CC[NH+](Cc2ccc(I)c(Cl)c2)CC1 ZINC001606015991 973107864 /nfs/dbraw/zinc/10/78/64/973107864.db2.gz LDGOWNLGUMVISJ-UHFFFAOYSA-N 0 2 379.625 3.241 20 0 GGADLN C[C@@H]1C[N@H+](Cc2ccc(N3CCC[C@H](C(=O)[O-])C3)o2)C[C@H](CC(F)(F)F)O1 ZINC001603460741 973291430 /nfs/dbraw/zinc/29/14/30/973291430.db2.gz ISOHQRMDNOKBQC-IPYPFGDCSA-N 0 2 390.402 3.122 20 0 GGADLN C[C@@H]1C[N@@H+](Cc2ccc(N3CCC[C@H](C(=O)[O-])C3)o2)C[C@H](CC(F)(F)F)O1 ZINC001603460741 973291442 /nfs/dbraw/zinc/29/14/42/973291442.db2.gz ISOHQRMDNOKBQC-IPYPFGDCSA-N 0 2 390.402 3.122 20 0 GGADLN O=C([O-])CC[C@@H]1C[C@@H](C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)CO1 ZINC001606112016 973328323 /nfs/dbraw/zinc/32/83/23/973328323.db2.gz RUQOOUPDYODKPR-CRAIPNDOSA-N 0 2 383.448 3.095 20 0 GGADLN O=C([O-])CC[C@H]1C[C@H](C(=O)Nc2cccc(-c3[nH+]cc4n3CCCC4)c2)CO1 ZINC001606112019 973328423 /nfs/dbraw/zinc/32/84/23/973328423.db2.gz RUQOOUPDYODKPR-YJBOKZPZSA-N 0 2 383.448 3.095 20 0 GGADLN O=C([O-])CC[C@H]1C[C@@H](C(=O)Nc2ccccc2-c2[nH+]cc3n2CCCC3)CO1 ZINC001606112003 973328644 /nfs/dbraw/zinc/32/86/44/973328644.db2.gz RITGUJPWCJFJIY-ZBFHGGJFSA-N 0 2 383.448 3.095 20 0 GGADLN CC[C@@H](C(=O)OC(C)(C)C)[N@H+](C)Cc1ccc(N2CCC[C@H](C(=O)[O-])C2)o1 ZINC001603504593 973479657 /nfs/dbraw/zinc/47/96/57/973479657.db2.gz DPEPSGDFEFWQAQ-HOCLYGCPSA-N 0 2 380.485 3.133 20 0 GGADLN CC[C@@H](C(=O)OC(C)(C)C)[N@@H+](C)Cc1ccc(N2CCC[C@H](C(=O)[O-])C2)o1 ZINC001603504593 973479662 /nfs/dbraw/zinc/47/96/62/973479662.db2.gz DPEPSGDFEFWQAQ-HOCLYGCPSA-N 0 2 380.485 3.133 20 0 GGADLN O=C([O-])Cc1cccc(NC(=O)N2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)c1 ZINC001606311388 973724260 /nfs/dbraw/zinc/72/42/60/973724260.db2.gz RHKRXPDJCRWMDZ-INIZCTEOSA-N 0 2 382.464 3.258 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C[C@@](CC(=O)[O-])([NH2+]Cc1nc2cc(Br)ccc2o1)c1ccccn1 ZINC001592329243 977755855 /nfs/dbraw/zinc/75/58/55/977755855.db2.gz FMWKQTKYTISMIZ-KRWDZBQOSA-N 0 2 390.237 3.465 20 0 GGADLN C[C@](CC(=O)[O-])([NH2+]Cc1nc2sc3c(c2c(N)n1)CCCC3)c1ccncc1 ZINC001592329603 977760049 /nfs/dbraw/zinc/76/00/49/977760049.db2.gz IWHTYMYLYKKYOU-HXUWFJFHSA-N 0 2 397.504 3.027 20 0 GGADLN C[C@@](CC(=O)[O-])([NH2+]Cc1nc(-c2cc(F)c(F)c(F)c2)no1)c1ccncc1 ZINC001592329632 977761070 /nfs/dbraw/zinc/76/10/70/977761070.db2.gz JSJMCFGUIYWZNF-SFHVURJKSA-N 0 2 392.337 3.029 20 0 GGADLN C[C@@](CC(=O)[O-])([NH2+]Cc1nc(Cc2cccc(F)c2)no1)c1cccc(F)c1 ZINC001592329723 977761160 /nfs/dbraw/zinc/76/11/60/977761160.db2.gz LMJITJIDVIHDTC-FQEVSTJZSA-N 0 2 387.386 3.418 20 0 GGADLN C[C@](CC(=O)[O-])([NH2+]Cc1nc2ccc(Br)cc2[nH]1)c1ccncc1 ZINC001592330817 977770167 /nfs/dbraw/zinc/77/01/67/977770167.db2.gz YWJOBBFFPGJVAM-QGZVFWFLSA-N 0 2 389.253 3.200 20 0 GGADLN C[C@H](CN1CCOCC1)[N@H+](Cc1ccccc1)[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC001592623138 978592441 /nfs/dbraw/zinc/59/24/41/978592441.db2.gz DEHGBXUXMOEDDU-CVEARBPZSA-N 0 2 389.521 3.125 20 0 GGADLN C[C@H](CN1CCOCC1)[N@@H+](Cc1ccccc1)[C@@H](C)c1ncc(C(=O)[O-])s1 ZINC001592623138 978592444 /nfs/dbraw/zinc/59/24/44/978592444.db2.gz DEHGBXUXMOEDDU-CVEARBPZSA-N 0 2 389.521 3.125 20 0 GGADLN C[C@@H](c1cccc(F)c1)[NH+]1CCN(C(=O)CCc2ccc(C(=O)[O-])cc2)CC1 ZINC000827942188 978967383 /nfs/dbraw/zinc/96/73/83/978967383.db2.gz QRTKIOZVSDZRLJ-INIZCTEOSA-N 0 2 384.451 3.362 20 0 GGADLN C[C@H]1C[N@H+](Cn2nc(COc3ccc(Cl)cc3)oc2=S)C[C@@H]1C(=O)[O-] ZINC000828473186 978984517 /nfs/dbraw/zinc/98/45/17/978984517.db2.gz UKASHUOLTLSNAG-GWCFXTLKSA-N 0 2 383.857 3.048 20 0 GGADLN C[C@H]1C[N@@H+](Cn2nc(COc3ccc(Cl)cc3)oc2=S)C[C@@H]1C(=O)[O-] ZINC000828473186 978984518 /nfs/dbraw/zinc/98/45/18/978984518.db2.gz UKASHUOLTLSNAG-GWCFXTLKSA-N 0 2 383.857 3.048 20 0 GGADLN C[C@H]1C[N@H+](Cn2nc(COc3ccc(Cl)cc3)oc2=S)C[C@H]1C(=O)[O-] ZINC000828473187 978984641 /nfs/dbraw/zinc/98/46/41/978984641.db2.gz UKASHUOLTLSNAG-GXFFZTMASA-N 0 2 383.857 3.048 20 0 GGADLN C[C@H]1C[N@@H+](Cn2nc(COc3ccc(Cl)cc3)oc2=S)C[C@H]1C(=O)[O-] ZINC000828473187 978984645 /nfs/dbraw/zinc/98/46/45/978984645.db2.gz UKASHUOLTLSNAG-GXFFZTMASA-N 0 2 383.857 3.048 20 0 GGADLN CCn1c(-c2ccc(Cl)cc2)nn(C[N@@H+]2C[C@H](C)[C@@H](C(=O)[O-])C2)c1=S ZINC000830403575 979017297 /nfs/dbraw/zinc/01/72/97/979017297.db2.gz RQPPGSIUWWWZQW-FZMZJTMJSA-N 0 2 380.901 3.364 20 0 GGADLN CCn1c(-c2ccc(Cl)cc2)nn(C[N@H+]2C[C@H](C)[C@@H](C(=O)[O-])C2)c1=S ZINC000830403575 979017300 /nfs/dbraw/zinc/01/73/00/979017300.db2.gz RQPPGSIUWWWZQW-FZMZJTMJSA-N 0 2 380.901 3.364 20 0 GGADLN CCn1c(-c2ccc(Cl)cc2)nn(C[N@@H+]2C[C@@H](C)[C@H](C(=O)[O-])C2)c1=S ZINC000830403573 979017365 /nfs/dbraw/zinc/01/73/65/979017365.db2.gz RQPPGSIUWWWZQW-BXUZGUMPSA-N 0 2 380.901 3.364 20 0 GGADLN CCn1c(-c2ccc(Cl)cc2)nn(C[N@H+]2C[C@@H](C)[C@H](C(=O)[O-])C2)c1=S ZINC000830403573 979017371 /nfs/dbraw/zinc/01/73/71/979017371.db2.gz RQPPGSIUWWWZQW-BXUZGUMPSA-N 0 2 380.901 3.364 20 0 GGADLN Cc1ccc2[nH+]c(CSCC(=O)N[C@H]3CCCCCC[C@@H]3C(=O)[O-])cn2c1 ZINC000832959287 979061489 /nfs/dbraw/zinc/06/14/89/979061489.db2.gz FMBBMASBDNSBIH-IRXDYDNUSA-N 0 2 389.521 3.416 20 0 GGADLN O=C([O-])[C@@H]([NH2+]CC(=O)Nc1c(F)cc(F)cc1Br)c1ccccc1 ZINC000833110179 979086243 /nfs/dbraw/zinc/08/62/43/979086243.db2.gz LFIIHCPMZPBRFT-AWEZNQCLSA-N 0 2 399.191 3.081 20 0 GGADLN O=C([O-])[C@@H](c1ccccc1F)[NH+]1CCC(c2nc(-c3ccccn3)no2)CC1 ZINC000833171523 979105919 /nfs/dbraw/zinc/10/59/19/979105919.db2.gz BFSLIXFLZIIYDC-QGZVFWFLSA-N 0 2 382.395 3.276 20 0 GGADLN O=C([O-])C[C@@H]1CCCN1C(=O)NC[C@@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000833210735 979117583 /nfs/dbraw/zinc/11/75/83/979117583.db2.gz PFHPRAOAISOFGT-BBRMVZONSA-N 0 2 397.878 3.265 20 0 GGADLN O=C([O-])C[C@@H]1CCCN1C(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000833210738 979117616 /nfs/dbraw/zinc/11/76/16/979117616.db2.gz PFHPRAOAISOFGT-XJKSGUPXSA-N 0 2 397.878 3.265 20 0 GGADLN O=C([O-])C[C@H]1CCC[N@@H+]1Cn1nc(-c2ccccn2)n(Cc2ccco2)c1=S ZINC000833211844 979118908 /nfs/dbraw/zinc/11/89/08/979118908.db2.gz OGEUSQIDGDUHIS-CQSZACIVSA-N 0 2 399.476 3.014 20 0 GGADLN O=C([O-])C[C@H]1CCC[N@H+]1Cn1nc(-c2ccccn2)n(Cc2ccco2)c1=S ZINC000833211844 979118912 /nfs/dbraw/zinc/11/89/12/979118912.db2.gz OGEUSQIDGDUHIS-CQSZACIVSA-N 0 2 399.476 3.014 20 0 GGADLN O=C([O-])C[C@@H]1CCC[N@@H+]1Cn1nc(-c2cccnc2)n(-c2ccccc2)c1=S ZINC000833212213 979120269 /nfs/dbraw/zinc/12/02/69/979120269.db2.gz VLNCCMYITHGOHZ-KRWDZBQOSA-N 0 2 395.488 3.362 20 0 GGADLN O=C([O-])C[C@@H]1CCC[N@H+]1Cn1nc(-c2cccnc2)n(-c2ccccc2)c1=S ZINC000833212213 979120271 /nfs/dbraw/zinc/12/02/71/979120271.db2.gz VLNCCMYITHGOHZ-KRWDZBQOSA-N 0 2 395.488 3.362 20 0 GGADLN O=C([O-])C[C@H]1CCC[N@@H+]1Cn1nc(COc2ccc(Cl)cc2)oc1=S ZINC000833212135 979120401 /nfs/dbraw/zinc/12/04/01/979120401.db2.gz TXOITNKNUUPORV-GFCCVEGCSA-N 0 2 383.857 3.335 20 0 GGADLN O=C([O-])C[C@H]1CCC[N@H+]1Cn1nc(COc2ccc(Cl)cc2)oc1=S ZINC000833212135 979120407 /nfs/dbraw/zinc/12/04/07/979120407.db2.gz TXOITNKNUUPORV-GFCCVEGCSA-N 0 2 383.857 3.335 20 0 GGADLN O=C([O-])c1ccc(C[NH+]2CCN(c3c(F)c(F)c(F)c(F)c3F)CC2)cc1 ZINC000836688636 979246817 /nfs/dbraw/zinc/24/68/17/979246817.db2.gz LBFFERMLEJPJKR-UHFFFAOYSA-N 0 2 386.320 3.403 20 0 GGADLN O=C([O-])c1ccccc1OCC[N@@H+]1CCO[C@H](c2ccc(OC(F)F)cc2)C1 ZINC000836696662 979247037 /nfs/dbraw/zinc/24/70/37/979247037.db2.gz AESGULNIWJKPIA-SFHVURJKSA-N 0 2 393.386 3.439 20 0 GGADLN O=C([O-])c1ccccc1OCC[N@H+]1CCO[C@H](c2ccc(OC(F)F)cc2)C1 ZINC000836696662 979247041 /nfs/dbraw/zinc/24/70/41/979247041.db2.gz AESGULNIWJKPIA-SFHVURJKSA-N 0 2 393.386 3.439 20 0 GGADLN O=C([O-])CCCc1nc(C[N@@H+]2CC[C@H](c3cccc(C(F)(F)F)c3)C2)no1 ZINC000846254228 979426687 /nfs/dbraw/zinc/42/66/87/979426687.db2.gz JYXGTJZTSNOJGJ-ZDUSSCGKSA-N 0 2 383.370 3.485 20 0 GGADLN O=C([O-])CCCc1nc(C[N@H+]2CC[C@H](c3cccc(C(F)(F)F)c3)C2)no1 ZINC000846254228 979426691 /nfs/dbraw/zinc/42/66/91/979426691.db2.gz JYXGTJZTSNOJGJ-ZDUSSCGKSA-N 0 2 383.370 3.485 20 0 GGADLN C[C@](Cc1ccc(Cl)cc1)([NH2+]Cc1nnc(-c2cccc(O)c2)o1)C(=O)[O-] ZINC001592839788 979600495 /nfs/dbraw/zinc/60/04/95/979600495.db2.gz PWSNCNWNKDZGAC-LJQANCHMSA-N 0 2 387.823 3.271 20 0 GGADLN C[C@@](Cc1ccc(Cl)cc1)(NC(=O)c1cccc(Cn2cc[nH+]c2)c1)C(=O)[O-] ZINC001592840890 979610914 /nfs/dbraw/zinc/61/09/14/979610914.db2.gz TVXMAGAWLFITQW-NRFANRHFSA-N 0 2 397.862 3.401 20 0 GGADLN Cc1nc2scc(C3CC3)n2c1C[NH2+][C@@H](C(=O)[O-])c1ccc2c(c1)CCO2 ZINC000859816521 979647252 /nfs/dbraw/zinc/64/72/52/979647252.db2.gz GHFLXFBTQUMHSO-GOSISDBHSA-N 0 2 383.473 3.432 20 0 GGADLN C[C@H](Cc1ccc(NC(=O)N2CC[NH+]([C@@H](C)c3cccnc3)CC2)cc1)C(=O)[O-] ZINC001592861662 979700823 /nfs/dbraw/zinc/70/08/23/979700823.db2.gz VKRKRMSZGYDWGG-SJORKVTESA-N 0 2 396.491 3.256 20 0 GGADLN C[C@@H](NC(=O)[C@@H](C)[N@H+](C)Cc1ccc(C(=O)[O-])cn1)c1cc2ccccc2o1 ZINC001592990300 980177976 /nfs/dbraw/zinc/17/79/76/980177976.db2.gz PQKOQXDHSADTIH-ZIAGYGMSSA-N 0 2 381.432 3.224 20 0 GGADLN C[C@@H](NC(=O)[C@@H](C)[N@@H+](C)Cc1ccc(C(=O)[O-])cn1)c1cc2ccccc2o1 ZINC001592990300 980177978 /nfs/dbraw/zinc/17/79/78/980177978.db2.gz PQKOQXDHSADTIH-ZIAGYGMSSA-N 0 2 381.432 3.224 20 0 GGADLN C[C@@H](NC(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1)c1ccc(OCC(=O)[O-])cc1 ZINC001593014817 980257208 /nfs/dbraw/zinc/25/72/08/980257208.db2.gz UMSPHXCOEVJDAS-DNVCBOLYSA-N 0 2 393.443 3.273 20 0 GGADLN O=C([O-])COc1ccc(C[NH+]2CCN(c3ncc(Cl)cc3Cl)CC2)cc1 ZINC000901418119 980265390 /nfs/dbraw/zinc/26/53/90/980265390.db2.gz VJFFTVRVWCDVGY-UHFFFAOYSA-N 0 2 396.274 3.174 20 0 GGADLN O=C([O-])c1ccc(C[N@@H+]2CCC[C@H]2C(=O)NCc2ccco2)c(C(F)(F)F)c1 ZINC000901421844 980267780 /nfs/dbraw/zinc/26/77/80/980267780.db2.gz JTEWTNMCUQZCQS-INIZCTEOSA-N 0 2 396.365 3.277 20 0 GGADLN O=C([O-])c1ccc(C[N@H+]2CCC[C@H]2C(=O)NCc2ccco2)c(C(F)(F)F)c1 ZINC000901421844 980267784 /nfs/dbraw/zinc/26/77/84/980267784.db2.gz JTEWTNMCUQZCQS-INIZCTEOSA-N 0 2 396.365 3.277 20 0 GGADLN C[C@@H](NC(=O)C[N@H+](C)Cc1ccc(C(=O)[O-])cn1)c1ccc(Cl)cc1Cl ZINC001593025485 980280539 /nfs/dbraw/zinc/28/05/39/980280539.db2.gz BNVIKLYZCJPUJQ-LLVKDONJSA-N 0 2 396.274 3.396 20 0 GGADLN C[C@@H](NC(=O)C[N@@H+](C)Cc1ccc(C(=O)[O-])cn1)c1ccc(Cl)cc1Cl ZINC001593025485 980280541 /nfs/dbraw/zinc/28/05/41/980280541.db2.gz BNVIKLYZCJPUJQ-LLVKDONJSA-N 0 2 396.274 3.396 20 0 GGADLN C[C@H](NC(=O)C[NH2+][C@@](C)(C(=O)[O-])c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC001593029616 980300727 /nfs/dbraw/zinc/30/07/27/980300727.db2.gz VKRKTNNEKBCAAL-HXPMCKFVSA-N 0 2 378.831 3.246 20 0 GGADLN CCOc1cc(C[N@@H+]2CCO[C@@H](CC(=O)[O-])C2)ccc1OCc1ccccc1 ZINC000901501917 980320956 /nfs/dbraw/zinc/32/09/56/980320956.db2.gz HLECPRPLCMHOED-IBGZPJMESA-N 0 2 385.460 3.340 20 0 GGADLN CCOc1cc(C[N@H+]2CCO[C@@H](CC(=O)[O-])C2)ccc1OCc1ccccc1 ZINC000901501917 980320964 /nfs/dbraw/zinc/32/09/64/980320964.db2.gz HLECPRPLCMHOED-IBGZPJMESA-N 0 2 385.460 3.340 20 0 GGADLN O=C([O-])C[C@H]1C[N@H+](Cc2ccccc2OCc2ccc(F)cc2F)CCO1 ZINC000901506228 980325530 /nfs/dbraw/zinc/32/55/30/980325530.db2.gz CKIRFPMEQVCHJI-KRWDZBQOSA-N 0 2 377.387 3.219 20 0 GGADLN O=C([O-])C[C@H]1C[N@@H+](Cc2ccccc2OCc2ccc(F)cc2F)CCO1 ZINC000901506228 980325536 /nfs/dbraw/zinc/32/55/36/980325536.db2.gz CKIRFPMEQVCHJI-KRWDZBQOSA-N 0 2 377.387 3.219 20 0 GGADLN O=C([O-])[C@H]([NH2+]Cc1cnc(N2CCOCC2)s1)c1ccc2ccccc2c1 ZINC000901514410 980331962 /nfs/dbraw/zinc/33/19/62/980331962.db2.gz GQBRNOYNXQULSV-GOSISDBHSA-N 0 2 383.473 3.048 20 0 GGADLN C[C@@H](NC(=O)Cn1cc(C(=O)[O-])c2ccccc21)c1ccc(-n2cc[nH+]c2)cc1 ZINC001593045017 980334675 /nfs/dbraw/zinc/33/46/75/980334675.db2.gz VSCWJBBTZIREFJ-OAHLLOKOSA-N 0 2 388.427 3.403 20 0 GGADLN CC[C@@]([NH2+]CC(=O)N([C@H](C)C1CC1)C1CC1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595282081 980340758 /nfs/dbraw/zinc/34/07/58/980340758.db2.gz CWSKBRGSQOUGSE-XCLFUZPHSA-N 0 2 378.900 3.409 20 0 GGADLN CC[C@@]([NH2+]CC(=O)N([C@@H](C)C1CC1)C1CC1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595282077 980341146 /nfs/dbraw/zinc/34/11/46/980341146.db2.gz CWSKBRGSQOUGSE-RBZFPXEDSA-N 0 2 378.900 3.409 20 0 GGADLN CC[C@@]([NH2+]CC(=O)N(C)Cc1cccs1)(C(=O)[O-])c1ccc(Cl)cc1 ZINC001595284473 980358354 /nfs/dbraw/zinc/35/83/54/980358354.db2.gz WJYNPKSCLZDABW-SFHVURJKSA-N 0 2 380.897 3.340 20 0 GGADLN CC[C@H]([NH2+]CC(=O)NC1(C(=O)[O-])CCCCC1)c1nc(C(F)(F)F)cs1 ZINC001595287586 980371032 /nfs/dbraw/zinc/37/10/32/980371032.db2.gz VMJCSROHFYKSBD-JTQLQIEISA-N 0 2 393.431 3.106 20 0 GGADLN C[N@@H+]1CC[C@@H](NC(=O)Cc2ccccc2C(=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000901619453 980409116 /nfs/dbraw/zinc/40/91/16/980409116.db2.gz VJXFJBASUCRHRJ-MJGOQNOKSA-N 0 2 390.842 3.281 20 0 GGADLN C[N@H+]1CC[C@@H](NC(=O)Cc2ccccc2C(=O)[O-])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000901619453 980409120 /nfs/dbraw/zinc/40/91/20/980409120.db2.gz VJXFJBASUCRHRJ-MJGOQNOKSA-N 0 2 390.842 3.281 20 0 GGADLN CCOc1ccccc1C[N@@H+]1CCN(C(=O)/C=C/c2ccc(C(=O)[O-])o2)[C@@H](C)C1 ZINC000901622692 980410619 /nfs/dbraw/zinc/41/06/19/980410619.db2.gz ITMUAJCYTQRKPA-SOGBHIHOSA-N 0 2 398.459 3.123 20 0 GGADLN CCOc1ccccc1C[N@H+]1CCN(C(=O)/C=C/c2ccc(C(=O)[O-])o2)[C@@H](C)C1 ZINC000901622692 980410622 /nfs/dbraw/zinc/41/06/22/980410622.db2.gz ITMUAJCYTQRKPA-SOGBHIHOSA-N 0 2 398.459 3.123 20 0 GGADLN COc1sc(C[NH2+][C@@H](C(=O)[O-])c2ccc(OC)cc2)cc1Br ZINC000901646066 980422795 /nfs/dbraw/zinc/42/27/95/980422795.db2.gz DGBPOYJYCMBEOT-CYBMUJFWSA-N 0 2 386.267 3.443 20 0 GGADLN C[C@H]1C[NH+](Cc2ccccc2NC(=O)Cc2ccccc2C(=O)[O-])C[C@H](C)O1 ZINC000901964623 980654113 /nfs/dbraw/zinc/65/41/13/980654113.db2.gz CEWJRZMUQOLZJY-HOTGVXAUSA-N 0 2 382.460 3.175 20 0 GGADLN O=C([O-])C[C@@H]1COCC[N@@H+]1Cc1cn(Cc2ccccc2)nc1-c1cccs1 ZINC000902001374 980678702 /nfs/dbraw/zinc/67/87/02/980678702.db2.gz GIWLMCIBLHEITF-GOSISDBHSA-N 0 2 397.500 3.335 20 0 GGADLN O=C([O-])C[C@@H]1COCC[N@H+]1Cc1cn(Cc2ccccc2)nc1-c1cccs1 ZINC000902001374 980678706 /nfs/dbraw/zinc/67/87/06/980678706.db2.gz GIWLMCIBLHEITF-GOSISDBHSA-N 0 2 397.500 3.335 20 0 GGADLN O=C([O-])C[C@@H]1COCC[N@@H+]1Cc1cn(-c2ccccc2)nc1-c1cccs1 ZINC000902002195 980680805 /nfs/dbraw/zinc/68/08/05/980680805.db2.gz MUGJDVAWHGKSLQ-QGZVFWFLSA-N 0 2 383.473 3.276 20 0 GGADLN O=C([O-])C[C@@H]1COCC[N@H+]1Cc1cn(-c2ccccc2)nc1-c1cccs1 ZINC000902002195 980680806 /nfs/dbraw/zinc/68/08/06/980680806.db2.gz MUGJDVAWHGKSLQ-QGZVFWFLSA-N 0 2 383.473 3.276 20 0 GGADLN CC[C@H](c1ccc(F)cc1F)[NH+]1CCN([C@@H](C(=O)[O-])c2cccnc2)CC1 ZINC001595359559 980742194 /nfs/dbraw/zinc/74/21/94/980742194.db2.gz DJYRRFCTPYUGFU-RTBURBONSA-N 0 2 375.419 3.254 20 0 GGADLN CC[C@@H](c1ccc(F)cc1F)N1CC[NH+](Cc2ccc(C(=O)[O-])n2C)CC1 ZINC001595359561 980742235 /nfs/dbraw/zinc/74/22/35/980742235.db2.gz DKZBLINRMMVRAC-SFHVURJKSA-N 0 2 377.435 3.270 20 0 GGADLN CC[C@@H](c1ccc(F)cc1F)[NH+]1CCN(Cc2ccc(C(=O)[O-])n2C)CC1 ZINC001595359561 980742239 /nfs/dbraw/zinc/74/22/39/980742239.db2.gz DKZBLINRMMVRAC-SFHVURJKSA-N 0 2 377.435 3.270 20 0 GGADLN CC[C@H](c1ccc(F)cc1F)[NH+]1CCN(c2nc(C)cc(C(=O)[O-])n2)CC1 ZINC001595359781 980745292 /nfs/dbraw/zinc/74/52/92/980745292.db2.gz 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ZINC001594931822 982570446 /nfs/dbraw/zinc/57/04/46/982570446.db2.gz XJKJPCBXHMMULT-IERDGZPVSA-N 0 2 384.524 3.159 20 0 GGADLN CC[C@@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1Cc1cc(C(=O)[O-])n(C)c1 ZINC001594931822 982570453 /nfs/dbraw/zinc/57/04/53/982570453.db2.gz XJKJPCBXHMMULT-IERDGZPVSA-N 0 2 384.524 3.159 20 0 GGADLN O=C([O-])C12CCC(C(=O)N3CCC(c4[nH+]cc5n4CCCC5)CC3)(CC1)CC2 ZINC000911706942 982606424 /nfs/dbraw/zinc/60/64/24/982606424.db2.gz LSNDUJQXUZVVEN-UHFFFAOYSA-N 0 2 385.508 3.351 20 0 GGADLN CCCCn1c(SCc2cccc(C(=O)[O-])n2)nnc1[C@H](CC)[NH+](C)C ZINC001595803233 982624045 /nfs/dbraw/zinc/62/40/45/982624045.db2.gz PKSAFJQMIQZSCF-HNNXBMFYSA-N 0 2 377.514 3.476 20 0 GGADLN CCCCn1c(SC[C@@H]2CC(C(=O)[O-])=C(C)O2)nnc1[C@H](CC)[NH+](C)C ZINC001595804062 982627915 /nfs/dbraw/zinc/62/79/15/982627915.db2.gz ZEXDVWQZGAIFTH-ZFWWWQNUSA-N 0 2 382.530 3.331 20 0 GGADLN CCC[N@H+](CC(=O)Nc1ccc(F)c(F)c1F)Cc1cccc(C(=O)[O-])n1 ZINC001595846037 982769714 /nfs/dbraw/zinc/76/97/14/982769714.db2.gz 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CCN(C(=O)C[NH2+][C@H](C(=O)[O-])c1cccc(OC)c1)[C@@H](C)c1ccc(F)cc1 ZINC001596144230 983499604 /nfs/dbraw/zinc/49/96/04/983499604.db2.gz WOBWJGVDCCOWSN-XOBRGWDASA-N 0 2 388.439 3.159 20 0 GGADLN CCN(C(=O)C[NH2+][C@](C)(C(=O)[O-])c1ccc(F)cc1)[C@@H](C)c1ccc(F)cc1 ZINC001596144338 983500070 /nfs/dbraw/zinc/50/00/70/983500070.db2.gz ZEHSBBOQTXSHJH-QKKBWIMNSA-N 0 2 390.430 3.464 20 0 GGADLN CCN(C(=O)c1cccc(CNc2cc[nH+]c(C)n2)c1)c1ncc(C(=O)[O-])s1 ZINC001596169956 983534791 /nfs/dbraw/zinc/53/47/91/983534791.db2.gz YSYZXTXQVDVLIT-UHFFFAOYSA-N 0 2 397.460 3.219 20 0 GGADLN CC[N@H+](CC(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1)Cc1ccccc1Cl ZINC001596201403 983586049 /nfs/dbraw/zinc/58/60/49/983586049.db2.gz AWSUMIXEFFQXLP-OXQOHEQNSA-N 0 2 378.900 3.265 20 0 GGADLN CC[N@@H+](CC(=O)N1C[C@H]2CCCC[C@@]2(C(=O)[O-])C1)Cc1ccccc1Cl ZINC001596201403 983586051 /nfs/dbraw/zinc/58/60/51/983586051.db2.gz AWSUMIXEFFQXLP-OXQOHEQNSA-N 0 2 378.900 3.265 20 0 GGADLN CC[N@H+](CC(=O)NCc1ccc(F)cc1)Cc1c(Cl)cccc1C(=O)[O-] ZINC001596206904 983593487 /nfs/dbraw/zinc/59/34/87/983593487.db2.gz LESAJPGOMVNSNH-UHFFFAOYSA-N 0 2 378.831 3.316 20 0 GGADLN CC[N@@H+](CC(=O)NCc1ccc(F)cc1)Cc1c(Cl)cccc1C(=O)[O-] ZINC001596206904 983593489 /nfs/dbraw/zinc/59/34/89/983593489.db2.gz LESAJPGOMVNSNH-UHFFFAOYSA-N 0 2 378.831 3.316 20 0 GGADLN CC[N@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)[C@H](C(=O)[O-])c1ccccc1C ZINC001596208464 983598660 /nfs/dbraw/zinc/59/86/60/983598660.db2.gz ZGJONMQSCFAJBM-FQEVSTJZSA-N 0 2 383.448 3.040 20 0 GGADLN CC[N@@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)[C@H](C(=O)[O-])c1ccccc1C ZINC001596208464 983598662 /nfs/dbraw/zinc/59/86/62/983598662.db2.gz ZGJONMQSCFAJBM-FQEVSTJZSA-N 0 2 383.448 3.040 20 0 GGADLN CC[N@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)[C@@H](C(=O)[O-])c1ccccc1C ZINC001596208465 983598701 /nfs/dbraw/zinc/59/87/01/983598701.db2.gz ZGJONMQSCFAJBM-HXUWFJFHSA-N 0 2 383.448 3.040 20 0 GGADLN CC[N@@H+](CC(=O)Nc1ccc(NC(C)=O)cc1)[C@@H](C(=O)[O-])c1ccccc1C ZINC001596208465 983598705 /nfs/dbraw/zinc/59/87/05/983598705.db2.gz ZGJONMQSCFAJBM-HXUWFJFHSA-N 0 2 383.448 3.040 20 0 GGADLN CC[N@H+](CC(=O)[O-])CC(=O)Nc1cc(-c2ccc(C)cc2)nn1-c1ccccc1 ZINC001596222042 983613003 /nfs/dbraw/zinc/61/30/03/983613003.db2.gz AQDGISWWFWFDIC-UHFFFAOYSA-N 0 2 392.459 3.193 20 0 GGADLN CC[N@@H+](CC(=O)[O-])CC(=O)Nc1cc(-c2ccc(C)cc2)nn1-c1ccccc1 ZINC001596222042 983613006 /nfs/dbraw/zinc/61/30/06/983613006.db2.gz AQDGISWWFWFDIC-UHFFFAOYSA-N 0 2 392.459 3.193 20 0 GGADLN CC[N@H+](CC(=O)[O-])CC(=O)Nc1cc(C(F)(F)F)ccc1N1CCCCC1 ZINC001596222191 983613507 /nfs/dbraw/zinc/61/35/07/983613507.db2.gz JAPZZOLIHQYFLT-UHFFFAOYSA-N 0 2 387.402 3.041 20 0 GGADLN CC[N@@H+](CC(=O)[O-])CC(=O)Nc1cc(C(F)(F)F)ccc1N1CCCCC1 ZINC001596222191 983613510 /nfs/dbraw/zinc/61/35/10/983613510.db2.gz JAPZZOLIHQYFLT-UHFFFAOYSA-N 0 2 387.402 3.041 20 0 GGADLN CC[NH+](CC)Cc1nc(C2(NCc3cc(C(=O)[O-])oc3C)CCCC2)no1 ZINC001596278299 983699564 /nfs/dbraw/zinc/69/95/64/983699564.db2.gz TWLQSJWWPMTVNR-UHFFFAOYSA-N 0 2 376.457 3.070 20 0 GGADLN CCN(CC1CCN(c2cccc[nH+]2)CC1)C(=O)Nc1cnc(C)c(C(=O)[O-])c1 ZINC001596298088 983719746 /nfs/dbraw/zinc/71/97/46/983719746.db2.gz CLNSHHKXHDJINC-UHFFFAOYSA-N 0 2 397.479 3.254 20 0 GGADLN CC[N@H+](CCC(=O)[O-])Cc1cc(Br)c(O)c(Br)c1 ZINC001596314754 983745874 /nfs/dbraw/zinc/74/58/74/983745874.db2.gz JXZZQQKBMOYCSM-UHFFFAOYSA-N 0 2 381.064 3.214 20 0 GGADLN CC[N@@H+](CCC(=O)[O-])Cc1cc(Br)c(O)c(Br)c1 ZINC001596314754 983745875 /nfs/dbraw/zinc/74/58/75/983745875.db2.gz JXZZQQKBMOYCSM-UHFFFAOYSA-N 0 2 381.064 3.214 20 0 GGADLN CCNc1cc(CNC(=O)N2CCC[C@H]2c2nc(C(=O)[O-])c(C)s2)cc[nH+]1 ZINC001596499585 984250769 /nfs/dbraw/zinc/25/07/69/984250769.db2.gz OYSJSCFIIQAWRQ-ZDUSSCGKSA-N 0 2 389.481 3.023 20 0 GGADLN CCNc1cc(CNC(=O)NC[C@H]2CCCc3ccc(C(=O)[O-])cc32)cc[nH+]1 ZINC001596499772 984251071 /nfs/dbraw/zinc/25/10/71/984251071.db2.gz REOJESPHXVDEGQ-QGZVFWFLSA-N 0 2 382.464 3.131 20 0 GGADLN CCOC(=O)[C@@H](Cc1ccccc1)[N@H+](Cc1cc(C(=O)[O-])c(C)n1C)C1CC1 ZINC001596536450 984377893 /nfs/dbraw/zinc/37/78/93/984377893.db2.gz UYHAULUNAZKMGH-HXUWFJFHSA-N 0 2 384.476 3.171 20 0 GGADLN CCOC(=O)[C@@H](Cc1ccccc1)[N@@H+](Cc1cc(C(=O)[O-])c(C)n1C)C1CC1 ZINC001596536450 984377897 /nfs/dbraw/zinc/37/78/97/984377897.db2.gz UYHAULUNAZKMGH-HXUWFJFHSA-N 0 2 384.476 3.171 20 0 GGADLN CCOC(=O)C1(C(=O)c2ccccc2)CC[NH+](Cc2occc2C(=O)[O-])CC1 ZINC001596543630 984395409 /nfs/dbraw/zinc/39/54/09/984395409.db2.gz VHCAXUMUBFWKCC-UHFFFAOYSA-N 0 2 385.416 3.006 20 0 GGADLN CCOC(=O)C1(C(F)(F)F)CC[NH+](Cc2cc(C(=O)[O-])ccc2F)CC1 ZINC001596553672 984423025 /nfs/dbraw/zinc/42/30/25/984423025.db2.gz YUIVZUHTVZMNJE-UHFFFAOYSA-N 0 2 377.334 3.232 20 0 GGADLN C/C(=C/c1ccccc1)C[N@H+](C)CN1C(=O)CN(c2cccc(C(=O)[O-])c2)C1=O ZINC001589004158 984961678 /nfs/dbraw/zinc/96/16/78/984961678.db2.gz ZBHPKHQADNTXOV-WJDWOHSUSA-N 0 2 393.443 3.146 20 0 GGADLN C/C(=C/c1ccccc1)C[N@@H+](C)CN1C(=O)CN(c2cccc(C(=O)[O-])c2)C1=O ZINC001589004158 984961694 /nfs/dbraw/zinc/96/16/94/984961694.db2.gz ZBHPKHQADNTXOV-WJDWOHSUSA-N 0 2 393.443 3.146 20 0 GGADLN CCOC(=O)c1cccc(C[NH2+]Cc2ccc(C(=O)[O-])cc2Br)n1 ZINC001596729129 984988515 /nfs/dbraw/zinc/98/85/15/984988515.db2.gz LJPNNCZNEDRHSL-UHFFFAOYSA-N 0 2 393.237 3.009 20 0 GGADLN CCOC(=O)c1nc(C[NH+]2CCC(Cc3ccccc3C(=O)[O-])CC2)cs1 ZINC001596750792 985101533 /nfs/dbraw/zinc/10/15/33/985101533.db2.gz WOAIKTDDZIKQFL-UHFFFAOYSA-N 0 2 388.489 3.473 20 0 GGADLN CCOC(=O)c1nn(-c2ccccc2)cc1C[N@H+](C)Cc1ccc(C(=O)[O-])cc1 ZINC001596754153 985112090 /nfs/dbraw/zinc/11/20/90/985112090.db2.gz HFWFHRKNLHBLLV-UHFFFAOYSA-N 0 2 393.443 3.379 20 0 GGADLN CCOC(=O)c1nn(-c2ccccc2)cc1C[N@@H+](C)Cc1ccc(C(=O)[O-])cc1 ZINC001596754153 985112096 /nfs/dbraw/zinc/11/20/96/985112096.db2.gz HFWFHRKNLHBLLV-UHFFFAOYSA-N 0 2 393.443 3.379 20 0 GGADLN C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H](c2noc([C@H]3CCC[C@@H](C(=O)[O-])C3)n2)O1 ZINC001599930251 985301419 /nfs/dbraw/zinc/30/14/19/985301419.db2.gz LAKBRTBMMNKEML-OWLYRPNTSA-N 0 2 385.464 3.390 20 0 GGADLN C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H](c2noc([C@H]3CCC[C@@H](C(=O)[O-])C3)n2)O1 ZINC001599930251 985301425 /nfs/dbraw/zinc/30/14/25/985301425.db2.gz LAKBRTBMMNKEML-OWLYRPNTSA-N 0 2 385.464 3.390 20 0 GGADLN C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H](c2noc([C@H]3CCCC[C@H]3C(=O)[O-])n2)O1 ZINC001599930572 985307192 /nfs/dbraw/zinc/30/71/92/985307192.db2.gz WVSFUOWOAHXQEV-OWLYRPNTSA-N 0 2 385.464 3.390 20 0 GGADLN C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H](c2noc([C@H]3CCCC[C@H]3C(=O)[O-])n2)O1 ZINC001599930572 985307205 /nfs/dbraw/zinc/30/72/05/985307205.db2.gz WVSFUOWOAHXQEV-OWLYRPNTSA-N 0 2 385.464 3.390 20 0 GGADLN Cc1[nH]c(C(=O)[C@H](C)[N@@H+]2CC[C@@H](C(=O)OC(C)(C)C)[C@@H](C)C2)c(C)c1C(=O)[O-] ZINC001599943312 985482295 /nfs/dbraw/zinc/48/22/95/985482295.db2.gz AMWLJOSKVSIJAR-TUKIKUTGSA-N 0 2 392.496 3.201 20 0 GGADLN Cc1[nH]c(C(=O)[C@H](C)[N@H+]2CC[C@@H](C(=O)OC(C)(C)C)[C@@H](C)C2)c(C)c1C(=O)[O-] ZINC001599943312 985482299 /nfs/dbraw/zinc/48/22/99/985482299.db2.gz AMWLJOSKVSIJAR-TUKIKUTGSA-N 0 2 392.496 3.201 20 0 GGADLN Cc1[nH]c(C(=O)[C@H](C)[NH2+][C@H](c2cnn(C)c2)c2ccccc2)c(C)c1C(=O)[O-] ZINC001599944940 985510405 /nfs/dbraw/zinc/51/04/05/985510405.db2.gz RKZRLHQUGFFSPJ-LIRRHRJNSA-N 0 2 380.448 3.014 20 0 GGADLN Cc1[nH]c(C(=O)N[C@H]2CCc3[nH+]c(C4CCCCC4)[nH]c3C2)c(C)c1C(=O)[O-] ZINC001599952097 985625755 /nfs/dbraw/zinc/62/57/55/985625755.db2.gz GEXSWUNMSCNASP-AWEZNQCLSA-N 0 2 384.480 3.388 20 0 GGADLN Cc1[nH]c(C(=O)N[C@H]2CCc3[nH]c(C4CCCCC4)[nH+]c3C2)c(C)c1C(=O)[O-] ZINC001599952097 985625761 /nfs/dbraw/zinc/62/57/61/985625761.db2.gz GEXSWUNMSCNASP-AWEZNQCLSA-N 0 2 384.480 3.388 20 0 GGADLN Cc1[nH]c(C(=O)Nc2ccc3nc(C[NH+]4CCCCC4)[nH]c3c2)c(C)c1C(=O)[O-] ZINC001599954352 985662172 /nfs/dbraw/zinc/66/21/72/985662172.db2.gz ALJOQPTXKIBSIG-UHFFFAOYSA-N 0 2 395.463 3.444 20 0 GGADLN Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)N[C@@H]1CCc2[nH+]c(C3CCCCC3)[nH]c2C1 ZINC001599955241 985677725 /nfs/dbraw/zinc/67/77/25/985677725.db2.gz FZZMHGBHDXRDGR-CQSZACIVSA-N 0 2 384.480 3.388 20 0 GGADLN Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)N[C@@H]1CCc2[nH]c(C3CCCCC3)[nH+]c2C1 ZINC001599955241 985677731 /nfs/dbraw/zinc/67/77/31/985677731.db2.gz FZZMHGBHDXRDGR-CQSZACIVSA-N 0 2 384.480 3.388 20 0 GGADLN Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001599955789 985686841 /nfs/dbraw/zinc/68/68/41/985686841.db2.gz PPQHUPWZHAENOC-RHSMWYFYSA-N 0 2 393.846 3.297 20 0 GGADLN Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001599955789 985686847 /nfs/dbraw/zinc/68/68/47/985686847.db2.gz PPQHUPWZHAENOC-RHSMWYFYSA-N 0 2 393.846 3.297 20 0 GGADLN CC(C)[C@H](C(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001594501915 985688453 /nfs/dbraw/zinc/68/84/53/985688453.db2.gz PQHTVEQJSQLJKB-OHUAYANFSA-N 0 2 386.851 3.250 20 0 GGADLN CC(C)[C@H](C(=O)Nc1cc(Cl)c(F)c(C(=O)[O-])c1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001594501915 985688460 /nfs/dbraw/zinc/68/84/60/985688460.db2.gz PQHTVEQJSQLJKB-OHUAYANFSA-N 0 2 386.851 3.250 20 0 GGADLN Cc1[nH]c(C(=O)[O-])cc1C(=O)C[N@@H+](C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC001599957199 985708511 /nfs/dbraw/zinc/70/85/11/985708511.db2.gz IIOZNOQTJXLINU-DOTOQJQBSA-N 0 2 397.258 3.101 20 0 GGADLN Cc1[nH]c(C(=O)[O-])cc1C(=O)C[N@H+](C)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@@H]1O ZINC001599957199 985708523 /nfs/dbraw/zinc/70/85/23/985708523.db2.gz IIOZNOQTJXLINU-DOTOQJQBSA-N 0 2 397.258 3.101 20 0 GGADLN Cc1[nH]c(C(=O)[O-])cc1C(=O)C[NH+]1CCC([C@H](O)c2ccc(Cl)cc2)CC1 ZINC001599958688 985737102 /nfs/dbraw/zinc/73/71/02/985737102.db2.gz FCLYZXXCKQFNKJ-LJQANCHMSA-N 0 2 390.867 3.303 20 0 GGADLN Cc1[nH]c(C[N@@H+]2CCO[C@@H](c3ccc(Br)cc3)C2)cc1C(=O)[O-] ZINC001599962290 985809662 /nfs/dbraw/zinc/80/96/62/985809662.db2.gz FTMMCOCBNSWDMH-MRXNPFEDSA-N 0 2 379.254 3.357 20 0 GGADLN Cc1[nH]c(C[N@H+]2CCO[C@@H](c3ccc(Br)cc3)C2)cc1C(=O)[O-] ZINC001599962290 985809680 /nfs/dbraw/zinc/80/96/80/985809680.db2.gz FTMMCOCBNSWDMH-MRXNPFEDSA-N 0 2 379.254 3.357 20 0 GGADLN CCOCCCN(c1cc[nH+]cc1)S(=O)(=O)c1cc(C(=O)[O-])ccc1Cl ZINC001596915060 985938874 /nfs/dbraw/zinc/93/88/74/985938874.db2.gz RCKKBVBYWVZLEK-UHFFFAOYSA-N 0 2 398.868 3.055 20 0 GGADLN CC(=O)c1cccc(NC(=O)C[NH2+][C@@H](C(=O)[O-])c2ccc(C(F)(F)F)cc2)c1 ZINC001589311480 986096854 /nfs/dbraw/zinc/09/68/54/986096854.db2.gz TTYRNFCMRNCODT-QGZVFWFLSA-N 0 2 394.349 3.262 20 0 GGADLN C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)c2cc(F)cc(C(=O)[O-])c2)C[C@H](C)O1 ZINC001594544493 986198976 /nfs/dbraw/zinc/19/89/76/986198976.db2.gz IDQPABNMKUHPNG-OKILXGFUSA-N 0 2 386.423 3.385 20 0 GGADLN C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)c2cc(F)cc(C(=O)[O-])c2)C[C@H](C)O1 ZINC001594544493 986198980 /nfs/dbraw/zinc/19/89/80/986198980.db2.gz IDQPABNMKUHPNG-OKILXGFUSA-N 0 2 386.423 3.385 20 0 GGADLN C[C@@H]1C[N@@H+](Cc2ccccc2NC(=O)NCCCCCC(=O)[O-])C[C@H](C)O1 ZINC001594545424 986208641 /nfs/dbraw/zinc/20/86/41/986208641.db2.gz RNZYMDBTEIKRRR-IYBDPMFKSA-N 0 2 377.485 3.062 20 0 GGADLN C[C@@H]1C[N@H+](Cc2ccccc2NC(=O)NCCCCCC(=O)[O-])C[C@H](C)O1 ZINC001594545424 986208650 /nfs/dbraw/zinc/20/86/50/986208650.db2.gz RNZYMDBTEIKRRR-IYBDPMFKSA-N 0 2 377.485 3.062 20 0 GGADLN C[C@@H]1C[NH+](Cc2ccccc2NC(=O)N[C@@](C)(CC(=O)[O-])C2CC2)C[C@@H](C)O1 ZINC001594546224 986213509 /nfs/dbraw/zinc/21/35/09/986213509.db2.gz YVRPMHPXBQPCRI-PZPWOCDFSA-N 0 2 389.496 3.061 20 0 GGADLN C[C@@H]1C[N@H+](Cc2cn(-c3ccc(Cl)c(Cl)c3)nc2C(=O)[O-])[C@@H](C)CO1 ZINC001594547432 986225751 /nfs/dbraw/zinc/22/57/51/986225751.db2.gz KCGDGPKSAMLIAC-WDEREUQCSA-N 0 2 384.263 3.487 20 0 GGADLN C[C@@H]1C[N@@H+](Cc2cn(-c3ccc(Cl)c(Cl)c3)nc2C(=O)[O-])[C@@H](C)CO1 ZINC001594547432 986225754 /nfs/dbraw/zinc/22/57/54/986225754.db2.gz KCGDGPKSAMLIAC-WDEREUQCSA-N 0 2 384.263 3.487 20 0 GGADLN C[C@@H]1CN(c2ccc(C(=O)[O-])cc2)CC[N@@H+]1Cc1nc(-c2ccccc2)c[nH]1 ZINC001594566813 986353855 /nfs/dbraw/zinc/35/38/55/986353855.db2.gz APXHDWHXSNZZPX-MRXNPFEDSA-N 0 2 376.460 3.486 20 0 GGADLN C[C@@H]1CN(c2ccc(C(=O)[O-])cc2)CC[N@H+]1Cc1nc(-c2ccccc2)c[nH]1 ZINC001594566813 986353862 /nfs/dbraw/zinc/35/38/62/986353862.db2.gz APXHDWHXSNZZPX-MRXNPFEDSA-N 0 2 376.460 3.486 20 0 GGADLN C[C@H]1CN(c2ccc(C(=O)[O-])cc2)CC[N@@H+]1Cc1cn2cc(Cl)ccc2n1 ZINC001594568513 986373153 /nfs/dbraw/zinc/37/31/53/986373153.db2.gz KNKFTSKOYMQAJS-AWEZNQCLSA-N 0 2 384.867 3.397 20 0 GGADLN C[C@H]1CN(c2ccc(C(=O)[O-])cc2)CC[N@H+]1Cc1cn2cc(Cl)ccc2n1 ZINC001594568513 986373160 /nfs/dbraw/zinc/37/31/60/986373160.db2.gz KNKFTSKOYMQAJS-AWEZNQCLSA-N 0 2 384.867 3.397 20 0 GGADLN C[C@H]1CN(c2ccc(C(=O)[O-])cc2)CC[N@@H+]1Cc1nccn1-c1ccccc1 ZINC001594570509 986394287 /nfs/dbraw/zinc/39/42/87/986394287.db2.gz WGZRMLAYVMSGLH-KRWDZBQOSA-N 0 2 376.460 3.281 20 0 GGADLN C[C@H]1CN(c2ccc(C(=O)[O-])cc2)CC[N@H+]1Cc1nccn1-c1ccccc1 ZINC001594570509 986394296 /nfs/dbraw/zinc/39/42/96/986394296.db2.gz WGZRMLAYVMSGLH-KRWDZBQOSA-N 0 2 376.460 3.281 20 0 GGADLN C[C@@H](C(=O)N1c2ccccc2CC[C@H]1C)[N@@H+]1CCOc2c(cccc2C(=O)[O-])C1 ZINC001589373829 986423567 /nfs/dbraw/zinc/42/35/67/986423567.db2.gz GJCWAKOCVMMFPW-CVEARBPZSA-N 0 2 394.471 3.336 20 0 GGADLN C[C@@H](C(=O)N1c2ccccc2CC[C@H]1C)[N@H+]1CCOc2c(cccc2C(=O)[O-])C1 ZINC001589373829 986423571 /nfs/dbraw/zinc/42/35/71/986423571.db2.gz GJCWAKOCVMMFPW-CVEARBPZSA-N 0 2 394.471 3.336 20 0 GGADLN CCOc1ccc(-c2nc(C[N@@H+]3CCC[C@]3(COC)C(=O)[O-])cs2)cc1 ZINC001597049747 986525009 /nfs/dbraw/zinc/52/50/09/986525009.db2.gz XOAHTNHVTSPYJA-IBGZPJMESA-N 0 2 376.478 3.274 20 0 GGADLN CCOc1ccc(-c2nc(C[N@H+]3CCC[C@]3(COC)C(=O)[O-])cs2)cc1 ZINC001597049747 986525016 /nfs/dbraw/zinc/52/50/16/986525016.db2.gz XOAHTNHVTSPYJA-IBGZPJMESA-N 0 2 376.478 3.274 20 0 GGADLN C[C@H]1CSCC[N@H+](CC(=O)Nc2c(Cl)cc(Cl)cc2C(=O)[O-])C1 ZINC001594613940 986623932 /nfs/dbraw/zinc/62/39/32/986623932.db2.gz UYRNIPHXLNPKHS-SECBINFHSA-N 0 2 377.293 3.315 20 0 GGADLN C[C@H]1CSCC[N@@H+](CC(=O)Nc2c(Cl)cc(Cl)cc2C(=O)[O-])C1 ZINC001594613940 986623937 /nfs/dbraw/zinc/62/39/37/986623937.db2.gz UYRNIPHXLNPKHS-SECBINFHSA-N 0 2 377.293 3.315 20 0 GGADLN CCOc1ccc(C[C@@H](CNC(=O)Nc2c(C)cc(C)[nH+]c2C)C(=O)[O-])cc1 ZINC001597088411 986662196 /nfs/dbraw/zinc/66/21/96/986662196.db2.gz NJPPRFRUGTXLSA-KRWDZBQOSA-N 0 2 385.464 3.471 20 0 GGADLN C[C@@H]1Cc2ccccc2N1C1CC[NH+](CC(=O)Nc2ccsc2C(=O)[O-])CC1 ZINC001594624324 986681610 /nfs/dbraw/zinc/68/16/10/986681610.db2.gz OZGVMXGOTHLKOO-CQSZACIVSA-N 0 2 399.516 3.300 20 0 GGADLN C[C@H]1Cc2ccccc2N1C1CC[NH+](CC(=O)Nc2ccsc2C(=O)[O-])CC1 ZINC001594624323 986681769 /nfs/dbraw/zinc/68/17/69/986681769.db2.gz OZGVMXGOTHLKOO-AWEZNQCLSA-N 0 2 399.516 3.300 20 0 GGADLN CCOc1ccc(C[N@H+](C)CC(=O)Nc2cc(C(=O)[O-])ccc2C)cc1OC ZINC001597100464 986706273 /nfs/dbraw/zinc/70/62/73/986706273.db2.gz MCOXKQMIZBYWFG-UHFFFAOYSA-N 0 2 386.448 3.171 20 0 GGADLN CCOc1ccc(C[N@@H+](C)CC(=O)Nc2cc(C(=O)[O-])ccc2C)cc1OC ZINC001597100464 986706283 /nfs/dbraw/zinc/70/62/83/986706283.db2.gz MCOXKQMIZBYWFG-UHFFFAOYSA-N 0 2 386.448 3.171 20 0 GGADLN CCOc1ccc(C[NH+]2CCN([C@H](C)c3ncc(C(=O)[O-])s3)CC2)cc1 ZINC001597101745 986720216 /nfs/dbraw/zinc/72/02/16/986720216.db2.gz CDISSWIHVYQKHD-CQSZACIVSA-N 0 2 375.494 3.119 20 0 GGADLN CCOc1ccc(CN2CC[NH+](Cc3cc(C(=O)[O-])c4n3CCCC4)CC2)cc1 ZINC001597102100 986725669 /nfs/dbraw/zinc/72/56/69/986725669.db2.gz NRDLIEKPDGIQCJ-UHFFFAOYSA-N 0 2 397.519 3.239 20 0 GGADLN C[C@@H](C(=O)Nc1ccc(F)cc1Cl)[N@H+]1CC[C@@](C(=O)[O-])(C(F)(F)F)C1 ZINC001589435036 986742109 /nfs/dbraw/zinc/74/21/09/986742109.db2.gz DTWZWRXJFBXNMZ-RMLUDKJBSA-N 0 2 382.741 3.145 20 0 GGADLN C[C@@H](C(=O)Nc1ccc(F)cc1Cl)[N@@H+]1CC[C@@](C(=O)[O-])(C(F)(F)F)C1 ZINC001589435036 986742092 /nfs/dbraw/zinc/74/20/92/986742092.db2.gz DTWZWRXJFBXNMZ-RMLUDKJBSA-N 0 2 382.741 3.145 20 0 GGADLN CCOc1ccc(NC(=O)C[NH2+][C@H](C(=O)[O-])c2ccc(C(F)(F)F)cc2)cc1 ZINC001597112990 986784386 /nfs/dbraw/zinc/78/43/86/986784386.db2.gz ZVENWMVXICUTJU-KRWDZBQOSA-N 0 2 396.365 3.458 20 0 GGADLN C[C@@H](C(=O)Nc1cccc2ncccc21)[N@@H+]1CCOc2cc(C(=O)[O-])ccc2C1 ZINC001589444487 986798680 /nfs/dbraw/zinc/79/86/80/986798680.db2.gz HQQLPENYQYSKLL-AWEZNQCLSA-N 0 2 391.427 3.155 20 0 GGADLN C[C@@H](C(=O)Nc1cccc2ncccc21)[N@H+]1CCOc2cc(C(=O)[O-])ccc2C1 ZINC001589444487 986798685 /nfs/dbraw/zinc/79/86/85/986798685.db2.gz HQQLPENYQYSKLL-AWEZNQCLSA-N 0 2 391.427 3.155 20 0 GGADLN C[C@@H](C(=O)Nc1cccnc1SCCC(=O)[O-])[N@@H+]1CCc2ccccc2C1 ZINC001589444695 986801825 /nfs/dbraw/zinc/80/18/25/986801825.db2.gz PFIGPGHZZOTAFF-AWEZNQCLSA-N 0 2 385.489 3.034 20 0 GGADLN C[C@@H](C(=O)Nc1cccnc1SCCC(=O)[O-])[N@H+]1CCc2ccccc2C1 ZINC001589444695 986801831 /nfs/dbraw/zinc/80/18/31/986801831.db2.gz PFIGPGHZZOTAFF-AWEZNQCLSA-N 0 2 385.489 3.034 20 0 GGADLN C[C@H](C(=O)Nc1cccc2ncccc21)[N@@H+]1CCOc2c(cccc2C(=O)[O-])C1 ZINC001589445284 986811577 /nfs/dbraw/zinc/81/15/77/986811577.db2.gz PUDQGLLEVANGQY-CQSZACIVSA-N 0 2 391.427 3.155 20 0 GGADLN C[C@H](C(=O)Nc1cccc2ncccc21)[N@H+]1CCOc2c(cccc2C(=O)[O-])C1 ZINC001589445284 986811584 /nfs/dbraw/zinc/81/15/84/986811584.db2.gz PUDQGLLEVANGQY-CQSZACIVSA-N 0 2 391.427 3.155 20 0 GGADLN C[C@H](C(=O)Nc1nc2ccccc2s1)[N@H+]1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC001589449057 986834275 /nfs/dbraw/zinc/83/42/75/986834275.db2.gz YMAMGCXGOMTUOS-DOMZBBRYSA-N 0 2 381.457 3.307 20 0 GGADLN C[C@H](C(=O)Nc1nc2ccccc2s1)[N@@H+]1Cc2ccccc2[C@@H](C(=O)[O-])C1 ZINC001589449057 986834285 /nfs/dbraw/zinc/83/42/85/986834285.db2.gz YMAMGCXGOMTUOS-DOMZBBRYSA-N 0 2 381.457 3.307 20 0 GGADLN C[C@@H]1SCC[N@H+](CN2Cc3ccc(C(=O)[O-])cc3C2=O)[C@H]1c1ccccc1 ZINC001594664467 986951324 /nfs/dbraw/zinc/95/13/24/986951324.db2.gz PXUMPLDGDZBJKZ-IFXJQAMLSA-N 0 2 382.485 3.477 20 0 GGADLN C[C@@H]1SCC[N@@H+](CN2Cc3ccc(C(=O)[O-])cc3C2=O)[C@H]1c1ccccc1 ZINC001594664467 986951334 /nfs/dbraw/zinc/95/13/34/986951334.db2.gz PXUMPLDGDZBJKZ-IFXJQAMLSA-N 0 2 382.485 3.477 20 0 GGADLN C[C@H](c1cccnc1)[NH+]1CCN(C(=O)Nc2ccc([C@H](C)C(=O)[O-])cc2)CC1 ZINC001589510472 987135674 /nfs/dbraw/zinc/13/56/74/987135674.db2.gz UNAIALQQFKQUGA-JKSUJKDBSA-N 0 2 382.464 3.180 20 0 GGADLN CCSc1ccc(C[N@@H+]2CC[C@@]3(CC(C(=O)[O-])=NO3)C2)c(Br)c1 ZINC001597272260 987318823 /nfs/dbraw/zinc/31/88/23/987318823.db2.gz AYJUJNLKPDMIIY-MRXNPFEDSA-N 0 2 399.310 3.367 20 0 GGADLN CCSc1ccc(C[N@H+]2CC[C@@]3(CC(C(=O)[O-])=NO3)C2)c(Br)c1 ZINC001597272260 987318828 /nfs/dbraw/zinc/31/88/28/987318828.db2.gz AYJUJNLKPDMIIY-MRXNPFEDSA-N 0 2 399.310 3.367 20 0 GGADLN CC(C)(C(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)[O-])c1ccc(-c2ccccc2)cc1 ZINC001589579717 987358511 /nfs/dbraw/zinc/35/85/11/987358511.db2.gz IYPBHFWPPFVKAA-LJQANCHMSA-N 0 2 377.444 3.166 20 0 GGADLN CC(C)(C(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)[O-])c1ccc(-c2ccccc2)cc1 ZINC001589579717 987358515 /nfs/dbraw/zinc/35/85/15/987358515.db2.gz IYPBHFWPPFVKAA-LJQANCHMSA-N 0 2 377.444 3.166 20 0 GGADLN CCc1[nH]c(C(=O)N2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)c(C)c1C(=O)[O-] ZINC001597360877 987516424 /nfs/dbraw/zinc/51/64/24/987516424.db2.gz ISBGOZCLCFWHGL-CQSZACIVSA-N 0 2 384.480 3.136 20 0 GGADLN CCc1[nH]c(C(=O)N2CC[NH+]([C@@H](C)c3ccsc3)CC2)c(C)c1C(=O)[O-] ZINC001597361886 987523463 /nfs/dbraw/zinc/52/34/63/987523463.db2.gz QKPKSXJNCZLKRY-ZDUSSCGKSA-N 0 2 375.494 3.164 20 0 GGADLN CCc1[nH]c(C[NH+]2CCN(c3cc(C(F)(F)F)ccn3)CC2)cc1C(=O)[O-] ZINC001597386399 987604168 /nfs/dbraw/zinc/60/41/68/987604168.db2.gz JFYGSYVZEHACOA-UHFFFAOYSA-N 0 2 382.386 3.011 20 0 GGADLN CC(C)(C(=O)[O-])c1csc(NC(=O)N[C@@H](Cn2cc[nH+]c2)c2ccccc2)n1 ZINC001589655071 987611860 /nfs/dbraw/zinc/61/18/60/987611860.db2.gz PHNDNOCSDYJNJF-AWEZNQCLSA-N 0 2 399.476 3.265 20 0 GGADLN CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)Nc1ccc(OCC(=O)[O-])c(Cl)c1 ZINC001589711444 987839073 /nfs/dbraw/zinc/83/90/73/987839073.db2.gz BRFXVMNLQNLDLM-OAHLLOKOSA-N 0 2 394.859 3.236 20 0 GGADLN CCc1cc(NC[C@@H](Oc2ccc(Br)cc2)C(=O)[O-])nc(CC)[nH+]1 ZINC001597483066 987984201 /nfs/dbraw/zinc/98/42/01/987984201.db2.gz FSJQJZXHUNVVAG-CQSZACIVSA-N 0 2 394.269 3.308 20 0 GGADLN CCc1ccc(CNC(=O)C[NH2+][C@@H](C(=O)[O-])c2ccc(OC)c(Cl)c2)s1 ZINC001597527351 988174969 /nfs/dbraw/zinc/17/49/69/988174969.db2.gz IMYCDCFHIIDOOH-QGZVFWFLSA-N 0 2 396.896 3.004 20 0 GGADLN CCc1ccc(NC(=O)C[N@@H+]2CCN(c3ccc(C(=O)[O-])cc3)C[C@@H]2C)cc1 ZINC001597544692 988245324 /nfs/dbraw/zinc/24/53/24/988245324.db2.gz KRWJUJXJCFPEMC-INIZCTEOSA-N 0 2 381.476 3.096 20 0 GGADLN CCc1ccc(NC(=O)C[N@H+]2CCN(c3ccc(C(=O)[O-])cc3)C[C@@H]2C)cc1 ZINC001597544692 988245329 /nfs/dbraw/zinc/24/53/29/988245329.db2.gz KRWJUJXJCFPEMC-INIZCTEOSA-N 0 2 381.476 3.096 20 0 GGADLN CCc1ccc(NC(=O)C[N@@H+]2CCN(c3ccc(C(=O)[O-])cc3)C[C@H]2C)cc1 ZINC001597544693 988245423 /nfs/dbraw/zinc/24/54/23/988245423.db2.gz KRWJUJXJCFPEMC-MRXNPFEDSA-N 0 2 381.476 3.096 20 0 GGADLN CCc1ccc(NC(=O)C[N@H+]2CCN(c3ccc(C(=O)[O-])cc3)C[C@H]2C)cc1 ZINC001597544693 988245430 /nfs/dbraw/zinc/24/54/30/988245430.db2.gz KRWJUJXJCFPEMC-MRXNPFEDSA-N 0 2 381.476 3.096 20 0 GGADLN CC(C)(C)NC(=O)N1CC[NH+](Cc2ccc(-c3ccccc3C(=O)[O-])o2)CC1 ZINC001589823742 988283262 /nfs/dbraw/zinc/28/32/62/988283262.db2.gz RGUFDUYITADTBQ-UHFFFAOYSA-N 0 2 385.464 3.271 20 0 GGADLN CC(C)(C)NC(=O)[C@H]1CCC[N@@H+]1Cc1csc(-c2cccc(C(=O)[O-])c2)n1 ZINC001589824877 988291276 /nfs/dbraw/zinc/29/12/76/988291276.db2.gz ONADBLIBOVKEFB-MRXNPFEDSA-N 0 2 387.505 3.387 20 0 GGADLN CC(C)(C)NC(=O)[C@H]1CCC[N@H+]1Cc1csc(-c2cccc(C(=O)[O-])c2)n1 ZINC001589824877 988291285 /nfs/dbraw/zinc/29/12/85/988291285.db2.gz ONADBLIBOVKEFB-MRXNPFEDSA-N 0 2 387.505 3.387 20 0 GGADLN CSc1ccc([C@H](CC(=O)[O-])NC(=O)Cc2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC001599810967 988333374 /nfs/dbraw/zinc/33/33/74/988333374.db2.gz KSAXRZGWHZCPSX-IBGZPJMESA-N 0 2 395.484 3.469 20 0 GGADLN CCc1ccccc1N(C(C)=O)c1nc(C[N@@H+]2CC3CC2(C(=O)[O-])C3)cs1 ZINC001597612295 988514143 /nfs/dbraw/zinc/51/41/43/988514143.db2.gz WJRFNKOLGJOWOE-UHFFFAOYSA-N 0 2 385.489 3.439 20 0 GGADLN CCc1ccccc1N(C(C)=O)c1nc(C[N@H+]2CC3CC2(C(=O)[O-])C3)cs1 ZINC001597612295 988514154 /nfs/dbraw/zinc/51/41/54/988514154.db2.gz WJRFNKOLGJOWOE-UHFFFAOYSA-N 0 2 385.489 3.439 20 0 GGADLN CCc1ccccc1Nc1nc(N)nc(C[N@H+](CC2CC2)[C@](C)(CC)C(=O)[O-])n1 ZINC001597614967 988526934 /nfs/dbraw/zinc/52/69/34/988526934.db2.gz MVWNYKHCTLFYOK-OAQYLSRUSA-N 0 2 398.511 3.225 20 0 GGADLN CCc1ccccc1Nc1nc(N)nc(C[N@@H+](CC2CC2)[C@](C)(CC)C(=O)[O-])n1 ZINC001597614967 988526945 /nfs/dbraw/zinc/52/69/45/988526945.db2.gz MVWNYKHCTLFYOK-OAQYLSRUSA-N 0 2 398.511 3.225 20 0 GGADLN CC(C)(C)OC(=O)C[N@H+](CCC(=O)[O-])C[C@H]1CCC[C@@H](c2ccccc2)O1 ZINC001589883873 988563336 /nfs/dbraw/zinc/56/33/36/988563336.db2.gz USSNGWXADVZFEP-MSOLQXFVSA-N 0 2 377.481 3.415 20 0 GGADLN CC(C)(C)OC(=O)C[N@@H+](CCC(=O)[O-])C[C@H]1CCC[C@@H](c2ccccc2)O1 ZINC001589883873 988563339 /nfs/dbraw/zinc/56/33/39/988563339.db2.gz USSNGWXADVZFEP-MSOLQXFVSA-N 0 2 377.481 3.415 20 0 GGADLN CC(C)(C)OC(=O)C[N@H+](CCC(=O)[O-])C[C@@H]1CCC[C@H](c2ccccc2)O1 ZINC001589883876 988563622 /nfs/dbraw/zinc/56/36/22/988563622.db2.gz USSNGWXADVZFEP-ZWKOTPCHSA-N 0 2 377.481 3.415 20 0 GGADLN CC(C)(C)OC(=O)C[N@@H+](CCC(=O)[O-])C[C@@H]1CCC[C@H](c2ccccc2)O1 ZINC001589883876 988563631 /nfs/dbraw/zinc/56/36/31/988563631.db2.gz USSNGWXADVZFEP-ZWKOTPCHSA-N 0 2 377.481 3.415 20 0 GGADLN CSc1cccc(NC(=O)C[N@@H+]2CCN(c3ccc(C(=O)[O-])cc3)C[C@H]2C)c1 ZINC001599824731 988578330 /nfs/dbraw/zinc/57/83/30/988578330.db2.gz MWYYDNKMHCRXKK-OAHLLOKOSA-N 0 2 399.516 3.256 20 0 GGADLN CSc1cccc(NC(=O)C[N@H+]2CCN(c3ccc(C(=O)[O-])cc3)C[C@H]2C)c1 ZINC001599824731 988578339 /nfs/dbraw/zinc/57/83/39/988578339.db2.gz MWYYDNKMHCRXKK-OAHLLOKOSA-N 0 2 399.516 3.256 20 0 GGADLN C[C@@H](C(=O)[O-])N(Cc1ccccc1)C(=O)C[C@@H](c1[nH]cc[nH+]1)c1ccccc1 ZINC001599831731 988685649 /nfs/dbraw/zinc/68/56/49/988685649.db2.gz OQMBZZXPEDAJHJ-QFBILLFUSA-N 0 2 377.444 3.434 20 0 GGADLN CCc1oc(C[NH2+][C@H](c2ccc(Cl)cc2)[C@@H]2CN(C)CCO2)cc1C(=O)[O-] ZINC001597798226 989361641 /nfs/dbraw/zinc/36/16/41/989361641.db2.gz AJXAWEOHAIANPJ-RBUKOAKNSA-N 0 2 392.883 3.355 20 0 GGADLN CCc1oc(CN[C@H](c2ccc(Cl)cc2)[C@@H]2C[N@H+](C)CCO2)cc1C(=O)[O-] ZINC001597798226 989361648 /nfs/dbraw/zinc/36/16/48/989361648.db2.gz AJXAWEOHAIANPJ-RBUKOAKNSA-N 0 2 392.883 3.355 20 0 GGADLN CCc1oc(CN[C@H](c2ccc(Cl)cc2)[C@@H]2C[N@@H+](C)CCO2)cc1C(=O)[O-] ZINC001597798226 989361656 /nfs/dbraw/zinc/36/16/56/989361656.db2.gz AJXAWEOHAIANPJ-RBUKOAKNSA-N 0 2 392.883 3.355 20 0 GGADLN CC(C)(C)OC(=O)N[C@@H]1C[N@H+](Cc2cc(C(=O)[O-])ccc2Cl)CC[C@H]1F ZINC001590268512 989671582 /nfs/dbraw/zinc/67/15/82/989671582.db2.gz XJZZINPNQZOYAW-HUUCEWRRSA-N 0 2 386.851 3.475 20 0 GGADLN CC(C)(C)OC(=O)N[C@@H]1C[N@@H+](Cc2cc(C(=O)[O-])ccc2Cl)CC[C@H]1F ZINC001590268512 989671584 /nfs/dbraw/zinc/67/15/84/989671584.db2.gz XJZZINPNQZOYAW-HUUCEWRRSA-N 0 2 386.851 3.475 20 0 GGADLN CCn1cc(C[N@H+](CC(=O)Nc2sc(C)c(C)c2C(=O)[O-])C(C)C)cn1 ZINC001597887116 989730390 /nfs/dbraw/zinc/73/03/90/989730390.db2.gz CGAREMZQYYOXIX-UHFFFAOYSA-N 0 2 378.498 3.129 20 0 GGADLN CCn1cc(C[N@@H+](CC(=O)Nc2sc(C)c(C)c2C(=O)[O-])C(C)C)cn1 ZINC001597887116 989730398 /nfs/dbraw/zinc/73/03/98/989730398.db2.gz CGAREMZQYYOXIX-UHFFFAOYSA-N 0 2 378.498 3.129 20 0 GGADLN CCn1ccc(CN(C)c2nc[nH+]c(N(C)Cc3ccn(CC)c3)c2C(=O)[O-])c1 ZINC001597904170 989783931 /nfs/dbraw/zinc/78/39/31/989783931.db2.gz BRKSSWNXTLOKFA-UHFFFAOYSA-N 0 2 396.495 3.090 20 0 GGADLN CC(C)(C)n1c[nH+]cc1[C@H]1CCCN(C(=O)N[C@H]2C[C@H]3C[C@H](C(=O)[O-])C[C@H]32)C1 ZINC001590603135 990264031 /nfs/dbraw/zinc/26/40/31/990264031.db2.gz QJOOUPCNQAWYJJ-NNXHMXCWSA-N 0 2 388.512 3.026 20 0 GGADLN CC(C)(CCNC(=O)[C@@H](c1cccc(Br)c1)[NH+]1CCCC1)C(=O)[O-] ZINC001590670466 990371078 /nfs/dbraw/zinc/37/10/78/990371078.db2.gz XXHVUAGUJCPQHI-OAHLLOKOSA-N 0 2 397.313 3.203 20 0 GGADLN C[NH+](C)[C@@H](C(=O)Nc1nc(C(C)(C)C(=O)[O-])cs1)c1cccc(Cl)c1 ZINC001598165152 990679233 /nfs/dbraw/zinc/67/92/33/990679233.db2.gz MCMMVVRGFUKSJQ-CYBMUJFWSA-N 0 2 381.885 3.400 20 0 GGADLN C[NH+](C)[C@H](C(=O)Nc1sc2c(c1C(=O)[O-])CCOC2)c1ccc(Cl)cc1 ZINC001598166171 990682733 /nfs/dbraw/zinc/68/27/33/990682733.db2.gz UDTAIPFBPPUJFD-HNNXBMFYSA-N 0 2 394.880 3.414 20 0 GGADLN C[NH+](C)[C@@H](C(=O)Nc1nc(CCCC(=O)[O-])cs1)c1ccc(Cl)cc1 ZINC001598166156 990682987 /nfs/dbraw/zinc/68/29/87/990682987.db2.gz SQGZJSLALILOOK-OAHLLOKOSA-N 0 2 381.885 3.445 20 0 GGADLN COc1ccccc1-c1noc([C@H](C)[NH2+][C@@H](Cc2ccc(F)cc2)C(=O)[O-])n1 ZINC001599696179 991152521 /nfs/dbraw/zinc/15/25/21/991152521.db2.gz PSBRSDZCKKZVBG-LRDDRELGSA-N 0 2 385.395 3.231 20 0 GGADLN COc1ccccc1-n1cnn(C[N@@H+]2CCC[C@@H](C(C)(C)C(=O)[O-])C2)c1=S ZINC001599696176 991152721 /nfs/dbraw/zinc/15/27/21/991152721.db2.gz PMFUZHYKVCWTQP-CQSZACIVSA-N 0 2 390.509 3.192 20 0 GGADLN COc1ccccc1-n1cnn(C[N@H+]2CCC[C@@H](C(C)(C)C(=O)[O-])C2)c1=S ZINC001599696176 991152727 /nfs/dbraw/zinc/15/27/27/991152727.db2.gz PMFUZHYKVCWTQP-CQSZACIVSA-N 0 2 390.509 3.192 20 0 GGADLN CC(C)[C@H](CNC(=O)C[N@@H+]1CCc2ccc(C(=O)[O-])cc2C1)c1ccccc1 ZINC001590982993 991156711 /nfs/dbraw/zinc/15/67/11/991156711.db2.gz YILOJQIYMMUVNS-NRFANRHFSA-N 0 2 380.488 3.299 20 0 GGADLN CC(C)[C@H](CNC(=O)C[N@H+]1CCc2ccc(C(=O)[O-])cc2C1)c1ccccc1 ZINC001590982993 991156714 /nfs/dbraw/zinc/15/67/14/991156714.db2.gz YILOJQIYMMUVNS-NRFANRHFSA-N 0 2 380.488 3.299 20 0 GGADLN CN(C)c1cc(C(=O)[O-])ccc1NC(=O)N[C@@H](Cn1cc[nH+]c1)c1ccccc1 ZINC001598298240 991231624 /nfs/dbraw/zinc/23/16/24/991231624.db2.gz IVHIYFHEHRDXJB-SFHVURJKSA-N 0 2 393.447 3.210 20 0 GGADLN COc1ccccc1C1(F)CC[NH+](CN2Cc3ccc(C(=O)[O-])cc3C2=O)CC1 ZINC001599703240 991253028 /nfs/dbraw/zinc/25/30/28/991253028.db2.gz AEGVMFPZAOWPBN-UHFFFAOYSA-N 0 2 398.434 3.268 20 0 GGADLN COc1ccccc1C1([NH2+]Cc2nc3cc(C(=O)[O-])ccc3c(=O)[nH]2)CCC1 ZINC001599704783 991276737 /nfs/dbraw/zinc/27/67/37/991276737.db2.gz YNVMKQFBNQRAJS-UHFFFAOYSA-N 0 2 379.416 3.211 20 0 GGADLN CN(C)c1cccc(CN2Cc3sc(C(=O)[O-])c(Br)c3C2)[nH+]1 ZINC001598334892 991381994 /nfs/dbraw/zinc/38/19/94/991381994.db2.gz QNBWFTCDUSXWJM-UHFFFAOYSA-N 0 2 382.283 3.186 20 0 GGADLN COc1ccccc1C[NH+]1CCN([C@@H](C(=O)[O-])c2c(F)cccc2Cl)CC1 ZINC001599711749 991382475 /nfs/dbraw/zinc/38/24/75/991382475.db2.gz MCMCWBNVJSSYJG-LJQANCHMSA-N 0 2 392.858 3.431 20 0 GGADLN CN(C)c1[nH+]cc(CN2C[C@H](C(=O)[O-])Oc3cc(F)ccc32)c2ccccc21 ZINC001598353767 991460663 /nfs/dbraw/zinc/46/06/63/991460663.db2.gz KISCEVVXNFSLAX-LJQANCHMSA-N 0 2 381.407 3.292 20 0 GGADLN CN(C)c1ncc(C[N@H+](C)[C@H](C(=O)[O-])c2cccc(Br)c2)s1 ZINC001598354378 991468785 /nfs/dbraw/zinc/46/87/85/991468785.db2.gz WLXCEGHIBLFPMF-ZDUSSCGKSA-N 0 2 384.299 3.229 20 0 GGADLN CN(C)c1ncc(C[N@@H+](C)[C@H](C(=O)[O-])c2cccc(Br)c2)s1 ZINC001598354378 991468793 /nfs/dbraw/zinc/46/87/93/991468793.db2.gz WLXCEGHIBLFPMF-ZDUSSCGKSA-N 0 2 384.299 3.229 20 0 GGADLN C[N@H+](CC(=O)NCc1ccccc1)Cc1ccc(-c2ccccc2C(=O)[O-])o1 ZINC001598393081 991655188 /nfs/dbraw/zinc/65/51/88/991655188.db2.gz YKYLRIALAQPZDU-UHFFFAOYSA-N 0 2 378.428 3.393 20 0 GGADLN C[N@@H+](CC(=O)NCc1ccccc1)Cc1ccc(-c2ccccc2C(=O)[O-])o1 ZINC001598393081 991655192 /nfs/dbraw/zinc/65/51/92/991655192.db2.gz YKYLRIALAQPZDU-UHFFFAOYSA-N 0 2 378.428 3.393 20 0 GGADLN CC(C)C[C@@H](C(=O)N1C[C@@H](c2ccc(Cl)cc2)[C@H](C(=O)[O-])C1)n1cc[nH+]c1 ZINC001591117876 991779086 /nfs/dbraw/zinc/77/90/86/991779086.db2.gz HVZMHVMQEBSLND-KSZLIROESA-N 0 2 389.883 3.451 20 0 GGADLN CS(=O)(=O)[C@@H]1CCCC[N@@H+]([C@@H](C(=O)[O-])c2cccc(Cl)c2Cl)C1 ZINC001599744711 991913371 /nfs/dbraw/zinc/91/33/71/991913371.db2.gz CUDUQCBSARPTID-QMTHXVAHSA-N 0 2 380.293 3.018 20 0 GGADLN CS(=O)(=O)[C@@H]1CCCC[N@H+]([C@@H](C(=O)[O-])c2cccc(Cl)c2Cl)C1 ZINC001599744711 991913378 /nfs/dbraw/zinc/91/33/78/991913378.db2.gz CUDUQCBSARPTID-QMTHXVAHSA-N 0 2 380.293 3.018 20 0 GGADLN CS(=O)(=O)[C@H]1CCCC[N@@H+]([C@H](C(=O)[O-])c2cccc(Cl)c2Cl)C1 ZINC001599744709 991913414 /nfs/dbraw/zinc/91/34/14/991913414.db2.gz CUDUQCBSARPTID-HZMBPMFUSA-N 0 2 380.293 3.018 20 0 GGADLN CS(=O)(=O)[C@H]1CCCC[N@H+]([C@H](C(=O)[O-])c2cccc(Cl)c2Cl)C1 ZINC001599744709 991913424 /nfs/dbraw/zinc/91/34/24/991913424.db2.gz CUDUQCBSARPTID-HZMBPMFUSA-N 0 2 380.293 3.018 20 0 GGADLN CC(C)C[C@@H](NC(=O)C[N@@H+]1CCC[C@H]1c1cccc(Br)c1)C(=O)[O-] ZINC001591168024 991942617 /nfs/dbraw/zinc/94/26/17/991942617.db2.gz REQOEEPMBIUULA-CVEARBPZSA-N 0 2 397.313 3.202 20 0 GGADLN CC(C)C[C@@H](NC(=O)C[N@H+]1CCC[C@H]1c1cccc(Br)c1)C(=O)[O-] ZINC001591168024 991942624 /nfs/dbraw/zinc/94/26/24/991942624.db2.gz REQOEEPMBIUULA-CVEARBPZSA-N 0 2 397.313 3.202 20 0 GGADLN CN(CCCn1cc[nH+]c1)C(=O)Nc1cccc(CSCCC(=O)[O-])c1 ZINC001598485258 992196965 /nfs/dbraw/zinc/19/69/65/992196965.db2.gz OIZSBBHWEYXRRS-UHFFFAOYSA-N 0 2 376.482 3.145 20 0 GGADLN C[N@H+](CCc1nccs1)CC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)[O-] ZINC001598503756 992472426 /nfs/dbraw/zinc/47/24/26/992472426.db2.gz JCNOUXULTGWDOT-UHFFFAOYSA-N 0 2 388.276 3.261 20 0 GGADLN C[N@@H+](CCc1nccs1)CC(=O)Nc1c(Cl)cc(Cl)cc1C(=O)[O-] ZINC001598503756 992472429 /nfs/dbraw/zinc/47/24/29/992472429.db2.gz JCNOUXULTGWDOT-UHFFFAOYSA-N 0 2 388.276 3.261 20 0 GGADLN CC(C)C[C@@H](C(=O)[O-])[N@H+](C)CC(=O)Nc1c(F)cc(F)cc1Br ZINC001591429143 992520622 /nfs/dbraw/zinc/52/06/22/992520622.db2.gz WNKDZSQTNPQUFV-LBPRGKRZSA-N 0 2 393.228 3.097 20 0 GGADLN CC(C)C[C@@H](C(=O)[O-])[N@@H+](C)CC(=O)Nc1c(F)cc(F)cc1Br ZINC001591429143 992520633 /nfs/dbraw/zinc/52/06/33/992520633.db2.gz WNKDZSQTNPQUFV-LBPRGKRZSA-N 0 2 393.228 3.097 20 0 GGADLN C[N@H+](Cc1ccc(C(=O)[O-])cn1)[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O ZINC001598515396 992611743 /nfs/dbraw/zinc/61/17/43/992611743.db2.gz HRKRINFSLAENEX-MRXNPFEDSA-N 0 2 393.365 3.036 20 0 GGADLN C[N@@H+](Cc1ccc(C(=O)[O-])cn1)[C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O ZINC001598515396 992611746 /nfs/dbraw/zinc/61/17/46/992611746.db2.gz HRKRINFSLAENEX-MRXNPFEDSA-N 0 2 393.365 3.036 20 0 GGADLN C[N@H+](Cc1ccc(C(=O)[O-])cn1)[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC001598516295 992619713 /nfs/dbraw/zinc/61/97/13/992619713.db2.gz XUGFEOPSFQIGPY-INIZCTEOSA-N 0 2 394.258 3.324 20 0 GGADLN C[N@@H+](Cc1ccc(C(=O)[O-])cn1)[C@H]1CCN(c2ccc(Cl)c(Cl)c2)C1=O ZINC001598516295 992619716 /nfs/dbraw/zinc/61/97/16/992619716.db2.gz XUGFEOPSFQIGPY-INIZCTEOSA-N 0 2 394.258 3.324 20 0 GGADLN C[N@@H+](Cc1ccc(OCC(=O)[O-])cc1)Cn1ncc(Br)c1C1CC1 ZINC001598524301 992699689 /nfs/dbraw/zinc/69/96/89/992699689.db2.gz WYNFNLMKKVDJJD-UHFFFAOYSA-N 0 2 394.269 3.076 20 0 GGADLN C[N@H+](Cc1ccc(OCC(=O)[O-])cc1)Cn1ncc(Br)c1C1CC1 ZINC001598524301 992699691 /nfs/dbraw/zinc/69/96/91/992699691.db2.gz WYNFNLMKKVDJJD-UHFFFAOYSA-N 0 2 394.269 3.076 20 0 GGADLN C[N@@H+](Cc1ccc(C(=O)[O-])c2cccnc12)Cc1ncc(Br)cn1 ZINC001598538353 992868132 /nfs/dbraw/zinc/86/81/32/992868132.db2.gz QKDVUDFBDBEQEV-UHFFFAOYSA-N 0 2 387.237 3.118 20 0 GGADLN C[N@H+](Cc1ccc(C(=O)[O-])c2cccnc12)Cc1ncc(Br)cn1 ZINC001598538353 992868136 /nfs/dbraw/zinc/86/81/36/992868136.db2.gz QKDVUDFBDBEQEV-UHFFFAOYSA-N 0 2 387.237 3.118 20 0 GGADLN CC(C)[N@@H+]1Cc2cccc(NS(=O)(=O)c3cccc(F)c3C(=O)[O-])c2C1 ZINC001591634926 992942641 /nfs/dbraw/zinc/94/26/41/992942641.db2.gz GDTQZHAWSXKKCF-UHFFFAOYSA-N 0 2 378.425 3.049 20 0 GGADLN CC(C)[N@H+]1Cc2cccc(NS(=O)(=O)c3cccc(F)c3C(=O)[O-])c2C1 ZINC001591634926 992942645 /nfs/dbraw/zinc/94/26/45/992942645.db2.gz GDTQZHAWSXKKCF-UHFFFAOYSA-N 0 2 378.425 3.049 20 0 GGADLN C[N@@H+]1CC[C@H](NC(=O)Nc2ccc(F)c(C(=O)[O-])c2)[C@H]1c1ccc(F)c(F)c1 ZINC001598584825 993366818 /nfs/dbraw/zinc/36/68/18/993366818.db2.gz AATQCMMFXIHWDI-DLBZAZTESA-N 0 2 393.365 3.369 20 0 GGADLN C[N@H+]1CC[C@H](NC(=O)Nc2ccc(F)c(C(=O)[O-])c2)[C@H]1c1ccc(F)c(F)c1 ZINC001598584825 993366821 /nfs/dbraw/zinc/36/68/21/993366821.db2.gz AATQCMMFXIHWDI-DLBZAZTESA-N 0 2 393.365 3.369 20 0 GGADLN C[N@@H+]1CC[C@H](NC(=O)C23CCC(C(=O)[O-])(CC2)CC3)[C@H]1c1ccc(F)c(F)c1 ZINC001598586165 993386246 /nfs/dbraw/zinc/38/62/46/993386246.db2.gz PPTPFRIGMDZHFP-ZGDXVETISA-N 0 2 392.446 3.251 20 0 GGADLN C[N@H+]1CC[C@H](NC(=O)C23CCC(C(=O)[O-])(CC2)CC3)[C@H]1c1ccc(F)c(F)c1 ZINC001598586165 993386250 /nfs/dbraw/zinc/38/62/50/993386250.db2.gz PPTPFRIGMDZHFP-ZGDXVETISA-N 0 2 392.446 3.251 20 0 GGADLN C[N@@H+]1CC[C@@H](NC(=O)NCC2(C(=O)[O-])CCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001598586410 993390152 /nfs/dbraw/zinc/39/01/52/993390152.db2.gz OCZKDRFEWFBUIO-HZPDHXFCSA-N 0 2 397.878 3.169 20 0 GGADLN C[N@H+]1CC[C@@H](NC(=O)NCC2(C(=O)[O-])CCCC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC001598586410 993390153 /nfs/dbraw/zinc/39/01/53/993390153.db2.gz OCZKDRFEWFBUIO-HZPDHXFCSA-N 0 2 397.878 3.169 20 0 GGADLN C[N@@H+]1CC[C@@H](NC(=O)c2ccc(C(=O)[O-])cc2F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001598587085 993399647 /nfs/dbraw/zinc/39/96/47/993399647.db2.gz RRROEPLMUMKCCA-SJORKVTESA-N 0 2 394.805 3.492 20 0 GGADLN C[N@H+]1CC[C@@H](NC(=O)c2ccc(C(=O)[O-])cc2F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001598587085 993399648 /nfs/dbraw/zinc/39/96/48/993399648.db2.gz RRROEPLMUMKCCA-SJORKVTESA-N 0 2 394.805 3.492 20 0 GGADLN C[N@@H+]1CC[C@H](NC(=O)c2ccc(C(=O)[O-])cc2F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001598587084 993399884 /nfs/dbraw/zinc/39/98/84/993399884.db2.gz RRROEPLMUMKCCA-IRXDYDNUSA-N 0 2 394.805 3.492 20 0 GGADLN C[N@H+]1CC[C@H](NC(=O)c2ccc(C(=O)[O-])cc2F)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001598587084 993399888 /nfs/dbraw/zinc/39/98/88/993399888.db2.gz RRROEPLMUMKCCA-IRXDYDNUSA-N 0 2 394.805 3.492 20 0 GGADLN C[N@@H+]1CC[C@H](NC(=O)Nc2cc(C(=O)[O-])ccn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001598587290 993402701 /nfs/dbraw/zinc/40/27/01/993402701.db2.gz VUYUOEAIABFGBT-HOCLYGCPSA-N 0 2 392.818 3.139 20 0 GGADLN C[N@H+]1CC[C@H](NC(=O)Nc2cc(C(=O)[O-])ccn2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC001598587290 993402705 /nfs/dbraw/zinc/40/27/05/993402705.db2.gz VUYUOEAIABFGBT-HOCLYGCPSA-N 0 2 392.818 3.139 20 0 GGADLN COc1ccc(OCC[N@H+](C)CC(=O)c2c[nH]c3ccc(C(=O)[O-])cc23)cc1 ZINC001599605979 993885548 /nfs/dbraw/zinc/88/55/48/993885548.db2.gz RVHUYPHNAFRCAD-UHFFFAOYSA-N 0 2 382.416 3.068 20 0 GGADLN COc1ccc(OCC[N@@H+](C)CC(=O)c2c[nH]c3ccc(C(=O)[O-])cc23)cc1 ZINC001599605979 993885554 /nfs/dbraw/zinc/88/55/54/993885554.db2.gz RVHUYPHNAFRCAD-UHFFFAOYSA-N 0 2 382.416 3.068 20 0 GGADLN C[C@@H]([NH2+][C@@H](C)C(=O)Nc1ccc(OC(F)F)cc1)c1ncc(C(=O)[O-])s1 ZINC001593202683 994182029 /nfs/dbraw/zinc/18/20/29/994182029.db2.gz AJWXWMIKAGHDCV-DTWKUNHWSA-N 0 2 385.392 3.121 20 0 GGADLN C[C@@H]([NH2+][C@@H](C)C(=O)Nc1nc2ccccc2s1)c1ncc(C(=O)[O-])s1 ZINC001593203244 994184688 /nfs/dbraw/zinc/18/46/88/994184688.db2.gz CLGLSMVINLQURS-DTWKUNHWSA-N 0 2 376.463 3.129 20 0 GGADLN C[C@@H]([NH2+][C@@H](C)C(=O)N1CCSc2ccccc21)c1ncc(C(=O)[O-])s1 ZINC001593203692 994189584 /nfs/dbraw/zinc/18/95/84/994189584.db2.gz GLNGZMDKAZPCML-MNOVXSKESA-N 0 2 377.491 3.019 20 0 GGADLN C[C@H]([NH2+][C@@H](C)c1ncc(C(=O)[O-])s1)C(=O)Nc1ccc(N2CCCC2)cc1 ZINC001593204118 994196439 /nfs/dbraw/zinc/19/64/39/994196439.db2.gz MHPFOJRMTGPQBX-STQMWFEESA-N 0 2 388.493 3.119 20 0 GGADLN C[C@@H]([NH2+][C@@H](C)c1nc(C(=O)[O-])co1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC001593204896 994210249 /nfs/dbraw/zinc/21/02/49/994210249.db2.gz XDLMSCWWSWDPKJ-OLZOCXBDSA-N 0 2 380.404 3.432 20 0 GGADLN COc1ccc2c(c1)C[N@H+]([C@@H](C(=O)[O-])c1ccccc1Br)CCO2 ZINC001599630776 994215029 /nfs/dbraw/zinc/21/50/29/994215029.db2.gz QQJWXOHSSRJXNL-QGZVFWFLSA-N 0 2 392.249 3.478 20 0 GGADLN COc1ccc2c(c1)C[N@@H+]([C@@H](C(=O)[O-])c1ccccc1Br)CCO2 ZINC001599630776 994215040 /nfs/dbraw/zinc/21/50/40/994215040.db2.gz QQJWXOHSSRJXNL-QGZVFWFLSA-N 0 2 392.249 3.478 20 0 GGADLN C[C@H]([NH2+][C@@H](CO)c1ccc(Br)c(F)c1)c1ncc(C(=O)[O-])s1 ZINC001593210368 994248995 /nfs/dbraw/zinc/24/89/95/994248995.db2.gz QOFQIXMWLHNFFI-CPCISQLKSA-N 0 2 389.246 3.127 20 0 GGADLN C[C@@H]([NH2+][C@H](c1ccco1)c1ccccc1)C(=O)NCc1ccc(C(=O)[O-])cc1 ZINC001593211202 994261990 /nfs/dbraw/zinc/26/19/90/994261990.db2.gz WWVINEFNZMEBIU-QRWLVFNGSA-N 0 2 378.428 3.362 20 0 GGADLN CNC(=O)C[N@H+](Cc1cccc(C(F)(F)F)c1)Cc1ccccc1CC(=O)[O-] ZINC001598641678 994323923 /nfs/dbraw/zinc/32/39/23/994323923.db2.gz IAEKVRZHDJYRLJ-UHFFFAOYSA-N 0 2 394.393 3.081 20 0 GGADLN CNC(=O)C[N@@H+](Cc1cccc(C(F)(F)F)c1)Cc1ccccc1CC(=O)[O-] ZINC001598641678 994323928 /nfs/dbraw/zinc/32/39/28/994323928.db2.gz IAEKVRZHDJYRLJ-UHFFFAOYSA-N 0 2 394.393 3.081 20 0 GGADLN C[C@H]([NH2+]CC(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-])c1c(F)cccc1Cl ZINC001593230147 994359520 /nfs/dbraw/zinc/35/95/20/994359520.db2.gz GOUCTPBRQZHCOQ-YVEFUNNKSA-N 0 2 390.842 3.168 20 0 GGADLN C[C@]([NH2+]CC(=O)NCC1(c2ccc(F)cc2)CCCC1)(C(=O)[O-])c1ccccc1 ZINC001593233038 994389508 /nfs/dbraw/zinc/38/95/08/994389508.db2.gz ZCHXBDOXKYDMIS-JOCHJYFZSA-N 0 2 398.478 3.343 20 0 GGADLN C[C@@]([NH2+][C@H]1CCN(c2ccc(Cl)c(F)c2)C1=O)(C(=O)[O-])c1ccccc1 ZINC001593233719 994393917 /nfs/dbraw/zinc/39/39/17/994393917.db2.gz SVGBUFRLXGHTAF-LPHOPBHVSA-N 0 2 376.815 3.174 20 0 GGADLN C[C@]([NH2+]CC(=O)Nc1ccc(N2CCCCC2)cc1)(C(=O)[O-])c1ccccc1 ZINC001593236817 994408996 /nfs/dbraw/zinc/40/89/96/994408996.db2.gz KAVCIZYTUVFCHJ-JOCHJYFZSA-N 0 2 381.476 3.205 20 0 GGADLN C[C@@]([NH2+]CC(=O)Nc1ccc(C(F)(F)F)cc1)(C(=O)[O-])c1ccc(F)cc1 ZINC001593236793 994409426 /nfs/dbraw/zinc/40/94/26/994409426.db2.gz JLJVQXRXFTZGMT-KRWDZBQOSA-N 0 2 384.329 3.373 20 0 GGADLN COc1cccc([C@@](C)(CC(=O)[O-])[NH2+]Cc2nc(-c3ccccc3F)no2)c1 ZINC001599655308 994569322 /nfs/dbraw/zinc/56/93/22/994569322.db2.gz IXOXGJJONCJQFD-HXUWFJFHSA-N 0 2 385.395 3.364 20 0 GGADLN COc1cccc([C@H](C)N2CC[NH+](Cc3ccc(OCC(=O)[O-])cc3)CC2)c1 ZINC001599655688 994575183 /nfs/dbraw/zinc/57/51/83/994575183.db2.gz XDYBPORSMFNKHW-KRWDZBQOSA-N 0 2 384.476 3.037 20 0 GGADLN C[C@H]([NH2+]CCOc1ccc(/C=C\C(=O)[O-])cc1)c1noc(Cc2ccccc2)n1 ZINC001593271872 994606797 /nfs/dbraw/zinc/60/67/97/994606797.db2.gz MRMUXUQNCFVDSB-CKDIWJPDSA-N 0 2 393.443 3.488 20 0 GGADLN COc1cccc([C@@H]2CCC[N@@H+]2Cc2nc3cc(C(=O)[O-])ccc3c(=O)[nH]2)c1 ZINC001599666992 994745317 /nfs/dbraw/zinc/74/53/17/994745317.db2.gz VXKIHYQFABFSAO-SFHVURJKSA-N 0 2 379.416 3.379 20 0 GGADLN COc1cccc([C@@H]2CCC[N@H+]2Cc2nc3cc(C(=O)[O-])ccc3c(=O)[nH]2)c1 ZINC001599666992 994745324 /nfs/dbraw/zinc/74/53/24/994745324.db2.gz VXKIHYQFABFSAO-SFHVURJKSA-N 0 2 379.416 3.379 20 0 GGADLN C[C@@H]([NH2+]Cc1nc2cc(C(=O)[O-])ccc2c(=O)[nH]1)c1ccccc1OC(F)F ZINC001593311118 994778801 /nfs/dbraw/zinc/77/88/01/994778801.db2.gz CCTVFOPGKBPNQL-SNVBAGLBSA-N 0 2 389.358 3.486 20 0 GGADLN CNc1cc(CNC(=O)Nc2ccc(C(=O)[O-])cc2OCC(F)(F)F)cc[nH+]1 ZINC001598676098 994845927 /nfs/dbraw/zinc/84/59/27/994845927.db2.gz NBLXQYCDRWGOKN-UHFFFAOYSA-N 0 2 398.341 3.084 20 0 GGADLN COc1cccc(Cn2c(NC[C@H]3[C@@H](C(=O)[O-])C3(F)F)[nH+]c3ccccc32)c1 ZINC001599677242 994918147 /nfs/dbraw/zinc/91/81/47/994918147.db2.gz ONSXYEPUXFJZMR-YOEHRIQHSA-N 0 2 387.386 3.471 20 0 GGADLN COC(=O)[C@H](c1cccc(C(=O)[O-])c1)[N@@H+]1CCC[C@]2(C1)OCc1ccccc12 ZINC001598711594 995355608 /nfs/dbraw/zinc/35/56/08/995355608.db2.gz HRUBHYPDYUHMEW-SIKLNZKXSA-N 0 2 381.428 3.120 20 0 GGADLN COC(=O)[C@H](c1cccc(C(=O)[O-])c1)[N@H+]1CCC[C@]2(C1)OCc1ccccc12 ZINC001598711594 995355614 /nfs/dbraw/zinc/35/56/14/995355614.db2.gz HRUBHYPDYUHMEW-SIKLNZKXSA-N 0 2 381.428 3.120 20 0 GGADLN COC(=O)[C@H](c1cccc(C(=O)[O-])c1)[N@@H+]1CC[C@H](c2ccc(OC)c(F)c2)C1 ZINC001598714252 995384770 /nfs/dbraw/zinc/38/47/70/995384770.db2.gz UEPCSEQIZCEXLE-LPHOPBHVSA-N 0 2 387.407 3.236 20 0 GGADLN COC(=O)[C@H](c1cccc(C(=O)[O-])c1)[N@H+]1CC[C@H](c2ccc(OC)c(F)c2)C1 ZINC001598714252 995384780 /nfs/dbraw/zinc/38/47/80/995384780.db2.gz UEPCSEQIZCEXLE-LPHOPBHVSA-N 0 2 387.407 3.236 20 0 GGADLN C[C@H](O)CNc1[nH+]c2ccccc2n1Cc1coc(-c2ccc(C(=O)[O-])cc2)n1 ZINC001593472388 995403682 /nfs/dbraw/zinc/40/36/82/995403682.db2.gz LPDHOULVVUUJEG-ZDUSSCGKSA-N 0 2 392.415 3.231 20 0 GGADLN COC(=O)[C@@H]1C[C@@H](C(=O)[O-])CC[N@@H+]1Cc1cnc(-c2ccc(Cl)cc2)s1 ZINC001598759178 995756265 /nfs/dbraw/zinc/75/62/65/995756265.db2.gz MMZMDRJPXSSVSO-WFASDCNBSA-N 0 2 394.880 3.302 20 0 GGADLN COC(=O)[C@@H]1C[C@@H](C(=O)[O-])CC[N@H+]1Cc1cnc(-c2ccc(Cl)cc2)s1 ZINC001598759178 995756275 /nfs/dbraw/zinc/75/62/75/995756275.db2.gz MMZMDRJPXSSVSO-WFASDCNBSA-N 0 2 394.880 3.302 20 0 GGADLN COC(=O)[C@H]1C[C@@H](C(=O)[O-])CC[N@@H+]1Cc1ccc(F)c(-c2cccs2)c1 ZINC001598760952 995776730 /nfs/dbraw/zinc/77/67/30/995776730.db2.gz QOJKKMONODRBMP-XJKSGUPXSA-N 0 2 377.437 3.392 20 0 GGADLN COC(=O)[C@H]1C[C@@H](C(=O)[O-])CC[N@H+]1Cc1ccc(F)c(-c2cccs2)c1 ZINC001598760952 995776736 /nfs/dbraw/zinc/77/67/36/995776736.db2.gz QOJKKMONODRBMP-XJKSGUPXSA-N 0 2 377.437 3.392 20 0 GGADLN C[C@H](Oc1ccc(NC(=O)Cc2ccc(-n3cc[nH+]c3)cc2)cc1F)C(=O)[O-] ZINC001593625858 995891424 /nfs/dbraw/zinc/89/14/24/995891424.db2.gz AEFFGYPELAWVJE-ZDUSSCGKSA-N 0 2 383.379 3.045 20 0 GGADLN C[C@H](Oc1ccccc1C[N@H+](C)CC(=O)N(C)[C@@H](C)c1ccccc1)C(=O)[O-] ZINC001593644471 995961847 /nfs/dbraw/zinc/96/18/47/995961847.db2.gz KUKMIFLTBSBATD-IRXDYDNUSA-N 0 2 384.476 3.190 20 0 GGADLN C[C@H](Oc1ccccc1C[N@@H+](C)CC(=O)N(C)[C@@H](C)c1ccccc1)C(=O)[O-] ZINC001593644471 995961855 /nfs/dbraw/zinc/96/18/55/995961855.db2.gz KUKMIFLTBSBATD-IRXDYDNUSA-N 0 2 384.476 3.190 20 0 GGADLN COC(=O)[C@@H]1CC[C@H](C(=O)[O-])[N@H+](Cc2nc3ccccc3c(C)c2Cl)C1 ZINC001598783414 996007782 /nfs/dbraw/zinc/00/77/82/996007782.db2.gz CSQCKIHDQAXTJM-MLGOLLRUSA-N 0 2 376.840 3.035 20 0 GGADLN COC(=O)[C@@H]1CC[C@H](C(=O)[O-])[N@@H+](Cc2nc3ccccc3c(C)c2Cl)C1 ZINC001598783414 996007783 /nfs/dbraw/zinc/00/77/83/996007783.db2.gz CSQCKIHDQAXTJM-MLGOLLRUSA-N 0 2 376.840 3.035 20 0 GGADLN C[C@@H](c1cc2ccccc2o1)N(C)C(=O)C[NH2+]C(C)(C)c1nocc1C(=O)[O-] ZINC001593685687 996117714 /nfs/dbraw/zinc/11/77/14/996117714.db2.gz ALOWLCHYCFDPOG-LBPRGKRZSA-N 0 2 385.420 3.163 20 0 GGADLN C[C@@H](c1ccc(F)cc1)N(C)C(=O)C[NH2+][C@@](C)(C(=O)[O-])c1ccc(F)cc1 ZINC001593694579 996151114 /nfs/dbraw/zinc/15/11/14/996151114.db2.gz ZCYRJCUVRFUWRG-RNODOKPDSA-N 0 2 376.403 3.074 20 0 GGADLN COC(=O)[C@@H]1CC[N@H+](Cc2ccc(-c3cccc(F)c3F)o2)[C@@H](C(=O)[O-])C1 ZINC001598802690 996153618 /nfs/dbraw/zinc/15/36/18/996153618.db2.gz ZEQINOPAROWIHQ-IAQYHMDHSA-N 0 2 379.359 3.063 20 0 GGADLN COC(=O)[C@@H]1CC[N@@H+](Cc2ccc(-c3cccc(F)c3F)o2)[C@@H](C(=O)[O-])C1 ZINC001598802690 996153624 /nfs/dbraw/zinc/15/36/24/996153624.db2.gz ZEQINOPAROWIHQ-IAQYHMDHSA-N 0 2 379.359 3.063 20 0 GGADLN C[C@H](c1ccc(F)cc1)N1CC[C@H]([N@@H+]2CCOc3cc(C(=O)[O-])ccc3C2)C1=O ZINC001593697780 996157717 /nfs/dbraw/zinc/15/77/17/996157717.db2.gz OPNPYJGRJCGLPW-KUHUBIRLSA-N 0 2 398.434 3.080 20 0 GGADLN C[C@H](c1ccc(F)cc1)N1CC[C@H]([N@H+]2CCOc3cc(C(=O)[O-])ccc3C2)C1=O ZINC001593697780 996157721 /nfs/dbraw/zinc/15/77/21/996157721.db2.gz OPNPYJGRJCGLPW-KUHUBIRLSA-N 0 2 398.434 3.080 20 0 GGADLN C[C@H](c1ccsc1)[NH+]1CCN(CC(=O)c2c[nH]c3ccc(C(=O)[O-])cc23)CC1 ZINC001593724744 996268733 /nfs/dbraw/zinc/26/87/33/996268733.db2.gz MJJREPPELGRTQD-CQSZACIVSA-N 0 2 397.500 3.489 20 0 GGADLN C[C@@H](c1nc(-c2cccc(C(=O)[O-])c2)no1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC001593725125 996273682 /nfs/dbraw/zinc/27/36/82/996273682.db2.gz QOZDKOFWOLEHQS-AWEZNQCLSA-N 0 2 396.422 3.457 20 0 GGADLN C[C@H](c1ncc(C(=O)[O-])s1)[NH+]1CCC(NC(=O)Nc2ccc(F)cc2)CC1 ZINC001593732341 996311485 /nfs/dbraw/zinc/31/14/85/996311485.db2.gz SBJQPGBBKFJOSX-LLVKDONJSA-N 0 2 392.456 3.328 20 0 GGADLN C[C@H](c1nc2ccccc2c(=O)[nH]1)[NH+]1CCC(c2ncc(C(=O)[O-])s2)CC1 ZINC001593733927 996321452 /nfs/dbraw/zinc/32/14/52/996321452.db2.gz NWXWSLGPVYSVCK-LLVKDONJSA-N 0 2 384.461 3.431 20 0 GGADLN C[C@H](c1ncc(C(=O)[O-])s1)N1CCc2c([nH+]cn2CCc2ccccc2)C1 ZINC001593737439 996335531 /nfs/dbraw/zinc/33/55/31/996335531.db2.gz NXRPOZBZMIMHHC-CQSZACIVSA-N 0 2 382.489 3.400 20 0 GGADLN C[C@]1(C(=O)[O-])CCC[N@H+](Cn2nc(C3CC3)n(Cc3ccco3)c2=S)C1 ZINC001593778210 996486688 /nfs/dbraw/zinc/48/66/88/996486688.db2.gz DWQLVFXVRZRRCC-SFHVURJKSA-N 0 2 376.482 3.077 20 0 GGADLN C[C@]1(C(=O)[O-])CCC[N@@H+](Cn2nc(C3CC3)n(Cc3ccco3)c2=S)C1 ZINC001593778210 996486689 /nfs/dbraw/zinc/48/66/89/996486689.db2.gz DWQLVFXVRZRRCC-SFHVURJKSA-N 0 2 376.482 3.077 20 0 GGADLN C[C@@]1(C(=O)[O-])CC[N@H+](Cc2cc(Br)c(O)c(Br)c2)C1 ZINC001593797162 996514237 /nfs/dbraw/zinc/51/42/37/996514237.db2.gz IGBCICNAVDEYFY-CYBMUJFWSA-N 0 2 393.075 3.214 20 0 GGADLN C[C@@]1(C(=O)[O-])CC[N@@H+](Cc2cc(Br)c(O)c(Br)c2)C1 ZINC001593797162 996514242 /nfs/dbraw/zinc/51/42/42/996514242.db2.gz IGBCICNAVDEYFY-CYBMUJFWSA-N 0 2 393.075 3.214 20 0 GGADLN CC1(C)C[C@@H](O)CC[N@H+](CC(=O)Nc2c(Cl)cc(Cl)cc2C(=O)[O-])C1 ZINC001593861906 996657310 /nfs/dbraw/zinc/65/73/10/996657310.db2.gz NAJUMTZKTIJWIP-NSHDSACASA-N 0 2 389.279 3.113 20 0 GGADLN CC1(C)C[C@@H](O)CC[N@@H+](CC(=O)Nc2c(Cl)cc(Cl)cc2C(=O)[O-])C1 ZINC001593861906 996657311 /nfs/dbraw/zinc/65/73/11/996657311.db2.gz NAJUMTZKTIJWIP-NSHDSACASA-N 0 2 389.279 3.113 20 0 GGADLN CC1(C)C[N@@H+]([C@H]2CCN(c3sccc3C(=O)[O-])C2=O)Cc2ccccc2O1 ZINC001593941175 996960858 /nfs/dbraw/zinc/96/08/58/996960858.db2.gz YIJRTQRTNZZUCO-HNNXBMFYSA-N 0 2 386.473 3.225 20 0 GGADLN CC1(C)C[N@H+]([C@H]2CCN(c3sccc3C(=O)[O-])C2=O)Cc2ccccc2O1 ZINC001593941175 996960872 /nfs/dbraw/zinc/96/08/72/996960872.db2.gz YIJRTQRTNZZUCO-HNNXBMFYSA-N 0 2 386.473 3.225 20 0 GGADLN CC1(C)C[N@H+](Cc2ccccc2OCc2ccc(C(=O)[O-])cc2)[C@@H]2COC[C@H]2O1 ZINC001593945171 996988207 /nfs/dbraw/zinc/98/82/07/996988207.db2.gz TUKJLKLLPIUYAX-TZIWHRDSSA-N 0 2 397.471 3.342 20 0 GGADLN CC1(C)C[N@@H+](Cc2ccccc2OCc2ccc(C(=O)[O-])cc2)[C@@H]2COC[C@H]2O1 ZINC001593945171 996988214 /nfs/dbraw/zinc/98/82/14/996988214.db2.gz TUKJLKLLPIUYAX-TZIWHRDSSA-N 0 2 397.471 3.342 20 0 GGADLN COC(=O)[C@@H]1CC[C@@H](c2ccccc2)[N@@H+]1Cc1ccc(O[C@@H](C)C(=O)[O-])cc1 ZINC001598895626 997076539 /nfs/dbraw/zinc/07/65/39/997076539.db2.gz IDNGRRCPMBAUDF-YSSFQJQWSA-N 0 2 383.444 3.417 20 0 GGADLN COC(=O)[C@@H]1CC[C@@H](c2ccccc2)[N@H+]1Cc1ccc(O[C@@H](C)C(=O)[O-])cc1 ZINC001598895626 997076544 /nfs/dbraw/zinc/07/65/44/997076544.db2.gz IDNGRRCPMBAUDF-YSSFQJQWSA-N 0 2 383.444 3.417 20 0 GGADLN COc1ccc(C(=O)[O-])c2c1C[N@H+](Cc1ccnn1-c1ccccc1C)CC2 ZINC001599502175 997144278 /nfs/dbraw/zinc/14/42/78/997144278.db2.gz UREZKJVAMASCBY-UHFFFAOYSA-N 0 2 377.444 3.446 20 0 GGADLN COc1ccc(C(=O)[O-])c2c1C[N@@H+](Cc1ccnn1-c1ccccc1C)CC2 ZINC001599502175 997144286 /nfs/dbraw/zinc/14/42/86/997144286.db2.gz UREZKJVAMASCBY-UHFFFAOYSA-N 0 2 377.444 3.446 20 0 GGADLN COc1cc(C[N@H+](CC(=O)[O-])Cc2c[nH]nc2-c2ccccc2)cc(OC)c1 ZINC001599406023 997301853 /nfs/dbraw/zinc/30/18/53/997301853.db2.gz RAYPXNXBVRKCMF-UHFFFAOYSA-N 0 2 381.432 3.181 20 0 GGADLN COc1cc(C[N@@H+](CC(=O)[O-])Cc2c[nH]nc2-c2ccccc2)cc(OC)c1 ZINC001599406023 997301861 /nfs/dbraw/zinc/30/18/61/997301861.db2.gz RAYPXNXBVRKCMF-UHFFFAOYSA-N 0 2 381.432 3.181 20 0 GGADLN COc1ccc([C@H](CC(=O)[O-])NC(=O)[C@H]2CC[C@@H](Nc3cccc[nH+]3)CC2)cc1 ZINC001599512786 997325113 /nfs/dbraw/zinc/32/51/13/997325113.db2.gz QZGWOFKUVIDMLL-SCTDSRPQSA-N 0 2 397.475 3.393 20 0 GGADLN COc1ccc([C@@H](CC(=O)[O-])NC(=O)[C@H]2CC[C@@H](Nc3cccc[nH+]3)CC2)cc1 ZINC001599512787 997327071 /nfs/dbraw/zinc/32/70/71/997327071.db2.gz QZGWOFKUVIDMLL-ZIFCJYIRSA-N 0 2 397.475 3.393 20 0 GGADLN COc1cc(C[N@@H+]2CCC[C@@H]2c2ccnn2C)c(Br)cc1C(=O)[O-] ZINC001599407056 997330651 /nfs/dbraw/zinc/33/06/51/997330651.db2.gz FXMXHMSISDPWHJ-OAHLLOKOSA-N 0 2 394.269 3.227 20 0 GGADLN COc1cc(C[N@H+]2CCC[C@@H]2c2ccnn2C)c(Br)cc1C(=O)[O-] ZINC001599407056 997330667 /nfs/dbraw/zinc/33/06/67/997330667.db2.gz FXMXHMSISDPWHJ-OAHLLOKOSA-N 0 2 394.269 3.227 20 0 GGADLN COc1cc(C[N@@H+]2CCC[C@@H]2c2nc(C(=O)[O-])c(C)s2)cc2c1OCO2 ZINC001599407870 997360534 /nfs/dbraw/zinc/36/05/34/997360534.db2.gz SNUBLMGPBVCBLA-GFCCVEGCSA-N 0 2 376.434 3.224 20 0 GGADLN COc1cc(C[N@H+]2CCC[C@@H]2c2nc(C(=O)[O-])c(C)s2)cc2c1OCO2 ZINC001599407870 997360544 /nfs/dbraw/zinc/36/05/44/997360544.db2.gz SNUBLMGPBVCBLA-GFCCVEGCSA-N 0 2 376.434 3.224 20 0 GGADLN COc1cc(C[N@@H+]2CCc3cccc(C(=O)[O-])c3C2)c(Br)cn1 ZINC001599408169 997368330 /nfs/dbraw/zinc/36/83/30/997368330.db2.gz LULDBXSUYONILP-UHFFFAOYSA-N 0 2 377.238 3.109 20 0 GGADLN COc1cc(C[N@H+]2CCc3cccc(C(=O)[O-])c3C2)c(Br)cn1 ZINC001599408169 997368341 /nfs/dbraw/zinc/36/83/41/997368341.db2.gz LULDBXSUYONILP-UHFFFAOYSA-N 0 2 377.238 3.109 20 0 GGADLN COc1cc(C[N@@H+]2CCN(c3ccc(C(=O)[O-])cc3)C[C@H]2C)c(Cl)cc1O ZINC001599408377 997374092 /nfs/dbraw/zinc/37/40/92/997374092.db2.gz SUUNIBFRYDOQLG-CYBMUJFWSA-N 0 2 390.867 3.463 20 0 GGADLN COc1cc(C[N@H+]2CCN(c3ccc(C(=O)[O-])cc3)C[C@H]2C)c(Cl)cc1O ZINC001599408377 997374107 /nfs/dbraw/zinc/37/41/07/997374107.db2.gz SUUNIBFRYDOQLG-CYBMUJFWSA-N 0 2 390.867 3.463 20 0 GGADLN COc1ccc([C@@H](NC(=O)C[NH2+][C@@](C)(C(=O)[O-])c2ccccc2)C(C)C)cc1 ZINC001599518773 997439739 /nfs/dbraw/zinc/43/97/39/997439739.db2.gz AUCNVIWNQZFYAG-RBBKRZOGSA-N 0 2 384.476 3.098 20 0 GGADLN COc1ccc([C@@H](NC(=O)C[NH2+][C@@H](C(=O)[O-])c2ccc(C)c(C)c2)C2CC2)cc1 ZINC001599520010 997462884 /nfs/dbraw/zinc/46/28/84/997462884.db2.gz KBFAYUGOQLXEGR-FCHUYYIVSA-N 0 2 396.487 3.295 20 0 GGADLN COc1ccc([C@H]([NH2+]CC(=O)NCc2cccc(Cl)c2)C(=O)[O-])cc1Cl ZINC001599527689 997590993 /nfs/dbraw/zinc/59/09/93/997590993.db2.gz OPKJYWUPKKNVLT-KRWDZBQOSA-N 0 2 397.258 3.034 20 0 GGADLN COc1ccc([C@@H]([NH2+]CC(=O)NCCC2CCCCC2)C(=O)[O-])cc1Cl ZINC001599528787 997610932 /nfs/dbraw/zinc/61/09/32/997610932.db2.gz YGVPSPILHUSOLJ-GOSISDBHSA-N 0 2 382.888 3.151 20 0 GGADLN COc1ccc([C@H]([NH2+]Cc2cc(O)ccc2Br)C(=O)[O-])c(OC)c1 ZINC001599532797 997688846 /nfs/dbraw/zinc/68/88/46/997688846.db2.gz SLSZSAKZNUXOIH-INIZCTEOSA-N 0 2 396.237 3.087 20 0 GGADLN COc1ccc(C)cc1C[NH+]1CCN(C(=O)Nc2ccc(C(=O)[O-])s2)CC1 ZINC001599533651 997703804 /nfs/dbraw/zinc/70/38/04/997703804.db2.gz TZJBSTSHTMBZJT-UHFFFAOYSA-N 0 2 389.477 3.113 20 0 GGADLN COc1ccc(C)cc1NC(=O)C[NH2+][C@@H](C(=O)[O-])c1ccc(C(F)(F)F)cc1 ZINC001599535214 997730973 /nfs/dbraw/zinc/73/09/73/997730973.db2.gz HMQSNJSVFICHKO-QGZVFWFLSA-N 0 2 396.365 3.376 20 0 GGADLN COc1c(C)c[nH+]c(CN(C)C(=O)Nc2ccc(CC(=O)[O-])c(F)c2)c1C ZINC001599334025 997800840 /nfs/dbraw/zinc/80/08/40/997800840.db2.gz NNWPQOPTHZYSHW-UHFFFAOYSA-N 0 2 375.400 3.137 20 0 GGADLN COc1c(C)c[nH+]c(CN(C)C(=O)Nc2cnc(C(=O)[O-])c(Cl)c2)c1C ZINC001599334091 997801941 /nfs/dbraw/zinc/80/19/41/997801941.db2.gz PPCIBPGIIZZTPM-UHFFFAOYSA-N 0 2 378.816 3.118 20 0 GGADLN COc1c(C)c[nH+]c(CN(C)C(=O)Nc2cc(C(=O)[O-])c(F)cc2F)c1C ZINC001599334226 997804655 /nfs/dbraw/zinc/80/46/55/997804655.db2.gz RNKAWFZLBNBKHG-UHFFFAOYSA-N 0 2 379.363 3.347 20 0 GGADLN COc1ccc([C@@H]2CCC[N@@H+]2CN2Cc3ccc(C(=O)[O-])cc3C2=O)c(OC)c1 ZINC001599539873 997817248 /nfs/dbraw/zinc/81/72/48/997817248.db2.gz YRFQTSTUJMZWCT-IBGZPJMESA-N 0 2 396.443 3.152 20 0 GGADLN COc1ccc([C@@H]2CCC[N@H+]2CN2Cc3ccc(C(=O)[O-])cc3C2=O)c(OC)c1 ZINC001599539873 997817253 /nfs/dbraw/zinc/81/72/53/997817253.db2.gz YRFQTSTUJMZWCT-IBGZPJMESA-N 0 2 396.443 3.152 20 0 GGADLN COc1ccc([C@H]2CN(C(=O)OC(C)(C)C)CC[N@@H+]2C/C=C(\C)C(=O)[O-])cc1 ZINC001599540322 997828598 /nfs/dbraw/zinc/82/85/98/997828598.db2.gz NFOIJLVOXAOQCE-SPQRHKFCSA-N 0 2 390.480 3.320 20 0 GGADLN COc1ccc([C@H]2CN(C(=O)OC(C)(C)C)CC[N@H+]2C/C=C(\C)C(=O)[O-])cc1 ZINC001599540322 997828604 /nfs/dbraw/zinc/82/86/04/997828604.db2.gz NFOIJLVOXAOQCE-SPQRHKFCSA-N 0 2 390.480 3.320 20 0 GGADLN COc1ccc(/C=C/C(=O)[O-])cc1OC(=O)Cc1c[nH+]cn1Cc1ccccc1 ZINC001599541750 997855000 /nfs/dbraw/zinc/85/50/00/997855000.db2.gz FAFNJHVOJDPTDL-CSKARUKUSA-N 0 2 392.411 3.186 20 0 GGADLN COC(=O)c1cc(Cn2c[nH+]c(Cc3ccccc3OC)c2)cc(C(=O)[O-])c1 ZINC001598936343 997873584 /nfs/dbraw/zinc/87/35/84/997873584.db2.gz RBPCKZFQSBLKKY-UHFFFAOYSA-N 0 2 380.400 3.016 20 0 GGADLN COCC[N@H+](CC(=O)Nc1sc(C)c(C)c1C(=O)[O-])Cc1cccs1 ZINC001599233094 997897885 /nfs/dbraw/zinc/89/78/85/997897885.db2.gz BDNIDTNCLFASKP-UHFFFAOYSA-N 0 2 382.507 3.212 20 0 GGADLN COCC[N@@H+](CC(=O)Nc1sc(C)c(C)c1C(=O)[O-])Cc1cccs1 ZINC001599233094 997897890 /nfs/dbraw/zinc/89/78/90/997897890.db2.gz BDNIDTNCLFASKP-UHFFFAOYSA-N 0 2 382.507 3.212 20 0 GGADLN COc1c(NC(=O)N2CC[NH+]([C@H](C)c3ccsc3)CC2)cccc1C(=O)[O-] ZINC001599340391 997912906 /nfs/dbraw/zinc/91/29/06/997912906.db2.gz PQADHDSJJRIHIW-CYBMUJFWSA-N 0 2 389.477 3.366 20 0 GGADLN COc1ccc(/C=C\C(=O)[O-])cc1OC(=O)c1cccc(Cn2cc[nH+]c2)c1 ZINC001599545480 997915045 /nfs/dbraw/zinc/91/50/45/997915045.db2.gz NZFWCDNGMUINCF-VURMDHGXSA-N 0 2 378.384 3.257 20 0 GGADLN COc1c(NC(=O)N[C@@H](Cn2cc[nH+]c2)c2ccccc2)cccc1C(=O)[O-] ZINC001599341261 997927225 /nfs/dbraw/zinc/92/72/25/997927225.db2.gz QSQLZZLKOVEVHP-KRWDZBQOSA-N 0 2 380.404 3.153 20 0 GGADLN CO[C@H]1C[N@H+](Cc2ncc(-c3ccc(Br)cc3)o2)[C@](C)(C(=O)[O-])C1 ZINC001599134460 998014985 /nfs/dbraw/zinc/01/49/85/998014985.db2.gz PVZKXOVGPNUQGI-DYVFJYSZSA-N 0 2 395.253 3.168 20 0 GGADLN CO[C@H]1C[N@@H+](Cc2ncc(-c3ccc(Br)cc3)o2)[C@](C)(C(=O)[O-])C1 ZINC001599134460 998014996 /nfs/dbraw/zinc/01/49/96/998014996.db2.gz PVZKXOVGPNUQGI-DYVFJYSZSA-N 0 2 395.253 3.168 20 0 GGADLN CO[C@H]1C[N@H+](Cc2ncc(-c3ccc(Br)cc3)o2)[C@@](C)(C(=O)[O-])C1 ZINC001599134457 998015230 /nfs/dbraw/zinc/01/52/30/998015230.db2.gz PVZKXOVGPNUQGI-CXAGYDPISA-N 0 2 395.253 3.168 20 0 GGADLN 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Cc1cc(NC(=O)Cc2ccc(NS(=O)(=O)c3cccs3)cc2)no1 ZINC000030563099 564382479 /nfs/dbraw/zinc/38/24/79/564382479.db2.gz BKSIJTGYIJUURZ-UHFFFAOYSA-N 0 2 377.447 3.027 20 0 GGADLN O=S(=O)(Nc1cnn(-c2ccccc2)c1)c1ccccc1Br ZINC000121831367 564388546 /nfs/dbraw/zinc/38/85/46/564388546.db2.gz SGPQHOVRWCOLED-UHFFFAOYSA-N 0 2 378.251 3.436 20 0 GGADLN O=S(=O)(Nc1cccc(Cl)c1-n1cncn1)c1ccc(Cl)s1 ZINC000031669529 564391022 /nfs/dbraw/zinc/39/10/22/564391022.db2.gz PLZDHLSSFXQZAY-UHFFFAOYSA-N 0 2 375.262 3.436 20 0 GGADLN COC(=O)c1sccc1S(=O)(=O)Nc1ccc2oc(C3CC3)nc2c1 ZINC000032097314 564397093 /nfs/dbraw/zinc/39/70/93/564397093.db2.gz XQEULYKUZXFOFU-UHFFFAOYSA-N 0 2 378.431 3.354 20 0 GGADLN CC[C@@H](CS(=O)(=O)c1ccccc1)NC(=O)c1cc(F)cc(Cl)c1O ZINC000122079728 564398945 /nfs/dbraw/zinc/39/89/45/564398945.db2.gz RTJQXNAFIHQKNT-LBPRGKRZSA-N 0 2 385.844 3.167 20 0 GGADLN C[S@](=O)c1ccc(NC(=O)C(=O)Nc2cc(Cl)c(O)c(Cl)c2)cc1 ZINC000122088269 564399031 /nfs/dbraw/zinc/39/90/31/564399031.db2.gz 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CC(C)c1ccc([C@@H](C)CC(=O)Nc2nnc(NS(C)(=O)=O)s2)cc1 ZINC000156847800 565107324 /nfs/dbraw/zinc/10/73/24/565107324.db2.gz KLVXUOXWOFEHMW-NSHDSACASA-N 0 2 382.511 3.165 20 0 GGADLN Cc1cc(C)c(S(=O)(=O)Nc2ccc(NC(=O)[C@H]3CCCO3)cc2)s1 ZINC000292270238 565108053 /nfs/dbraw/zinc/10/80/53/565108053.db2.gz GVQKKJDIPAQNAJ-OAHLLOKOSA-N 0 2 380.491 3.283 20 0 GGADLN Cc1cc(C)c(S(=O)(=O)Nc2ccc(N3C(=O)CCC3=O)c(C)c2)s1 ZINC000292357910 565111476 /nfs/dbraw/zinc/11/14/76/565111476.db2.gz QQDUYMAHZJCBGG-UHFFFAOYSA-N 0 2 378.475 3.128 20 0 GGADLN CCc1nn(C)c(CC)c1S(=O)(=O)Nc1cccc(Br)c1C ZINC000156923047 565112080 /nfs/dbraw/zinc/11/20/80/565112080.db2.gz DHONHKHUJIVWEZ-UHFFFAOYSA-N 0 2 386.315 3.417 20 0 GGADLN CCn1nc(NS(=O)(=O)c2ccc(NC(C)=O)c(Cl)c2)cc1C1CC1 ZINC000267415176 565116800 /nfs/dbraw/zinc/11/68/00/565116800.db2.gz JSYRASHCSXHVIB-UHFFFAOYSA-N 0 2 382.873 3.193 20 0 GGADLN Cc1nn(C)c(C)c1S(=O)(=O)Nc1cc(F)c(Br)cc1C ZINC000184159426 565117154 /nfs/dbraw/zinc/11/71/54/565117154.db2.gz AYFJMPBQXLBJHZ-UHFFFAOYSA-N 0 2 376.251 3.048 20 0 GGADLN CC[C@@H](C)CONC(=O)Nc1cccc(S(=O)(=O)Nc2nccs2)c1 ZINC000292590188 565123705 /nfs/dbraw/zinc/12/37/05/565123705.db2.gz CXBCNXWDEKCVLF-LLVKDONJSA-N 0 2 384.483 3.043 20 0 GGADLN COC(=O)[C@@H](NS(=O)(=O)c1cc(C(F)(F)F)ccc1F)c1ccsc1 ZINC000184257149 565124138 /nfs/dbraw/zinc/12/41/38/565124138.db2.gz MXFBWGHLBQIOKY-LBPRGKRZSA-N 0 2 397.371 3.099 20 0 GGADLN CCC(CC)c1nnc(NS(=O)(=O)c2ccc(C(=O)OC)s2)s1 ZINC000267623343 565124712 /nfs/dbraw/zinc/12/47/12/565124712.db2.gz GGFDVIQPFDXJMA-UHFFFAOYSA-N 0 2 375.497 3.091 20 0 GGADLN CCOC(=O)c1cc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2Cl)[nH]n1 ZINC000157269919 565125647 /nfs/dbraw/zinc/12/56/47/565125647.db2.gz PHZGHAJXWUELCQ-UHFFFAOYSA-N 0 2 397.762 3.059 20 0 GGADLN CCc1nn(C)c(CC)c1S(=O)(=O)Nc1ccc(F)cc1OC(F)F ZINC000157257687 565125685 /nfs/dbraw/zinc/12/56/85/565125685.db2.gz NYQKXOHKWJJKOA-UHFFFAOYSA-N 0 2 377.388 3.086 20 0 GGADLN CC1(Cn2cc(C(=O)Nc3c(O)c(Cl)cc(Cl)c3Cl)nn2)COC1 ZINC000184301179 565126762 /nfs/dbraw/zinc/12/67/62/565126762.db2.gz KTNUMURHAHIKQT-UHFFFAOYSA-N 0 2 391.642 3.233 20 0 GGADLN CC(=O)N1CCCc2ccc(S(=O)(=O)Nc3ncc(Cl)cc3C)cc21 ZINC000292651868 565126979 /nfs/dbraw/zinc/12/69/79/565126979.db2.gz USKYXCYXCAKVBI-UHFFFAOYSA-N 0 2 379.869 3.143 20 0 GGADLN C[C@@H](C(F)(F)F)S(=O)(=O)NCc1ccc(Br)cc1Cl ZINC000184305114 565127017 /nfs/dbraw/zinc/12/70/17/565127017.db2.gz XWPAIHAEJOXITJ-LURJTMIESA-N 0 2 380.613 3.473 20 0 GGADLN CCCc1nnc(NS(=O)(=O)c2cc(OC)ccc2Br)s1 ZINC000267683471 565127167 /nfs/dbraw/zinc/12/71/67/565127167.db2.gz QJPAHZAICDLTPS-UHFFFAOYSA-N 0 2 392.300 3.063 20 0 GGADLN Cc1ccc(Cl)cc1N1CC[C@H](CNS(=O)(=O)[C@@H](C)C(F)(F)F)C1 ZINC000184393663 565133206 /nfs/dbraw/zinc/13/32/06/565133206.db2.gz ZHDBJJPJDGHPPB-NWDGAFQWSA-N 0 2 384.851 3.345 20 0 GGADLN Cc1ccc(Cl)cc1N1CC[C@@H](CNS(=O)(=O)[C@@H](C)C(F)(F)F)C1 ZINC000184393686 565133877 /nfs/dbraw/zinc/13/38/77/565133877.db2.gz ZHDBJJPJDGHPPB-RYUDHWBXSA-N 0 2 384.851 3.345 20 0 GGADLN COc1ccc(CNS(=O)(=O)[C@@H](C)C(F)(F)F)cc1OC1CCCC1 ZINC000184414099 565134439 /nfs/dbraw/zinc/13/44/39/565134439.db2.gz SRXGZWMFODFKOJ-NSHDSACASA-N 0 2 381.416 3.387 20 0 GGADLN COCc1n[nH]c([C@@H]2CCCCN2C(=O)c2ccc(Cl)c(Cl)c2O)n1 ZINC000292779264 565134946 /nfs/dbraw/zinc/13/49/46/565134946.db2.gz SUKOAGIKYBMPSX-NSHDSACASA-N 0 2 385.251 3.331 20 0 GGADLN COc1ccc(NS(=O)(=O)c2c(F)cc(NC(C)=O)c(Cl)c2F)cc1 ZINC000157529202 565135089 /nfs/dbraw/zinc/13/50/89/565135089.db2.gz DNJWWJJPFUSREC-UHFFFAOYSA-N 0 2 390.795 3.386 20 0 GGADLN O=S(=O)(Nc1cncc(Br)c1)c1ccc(Br)s1 ZINC000158216100 565161912 /nfs/dbraw/zinc/16/19/12/565161912.db2.gz HVTFLEQIUFLNCK-UHFFFAOYSA-N 0 2 398.101 3.469 20 0 GGADLN O=C(N=c1nc(-c2cccc(Cl)c2)[nH]s1)N1CC[C@H]2OCCC[C@H]2C1 ZINC000370375402 565139874 /nfs/dbraw/zinc/13/98/74/565139874.db2.gz UOJYIEPCQOZCLJ-GXTWGEPZSA-N 0 2 378.885 3.313 20 0 GGADLN CC(C)n1cc(S(=O)(=O)Nc2ccc(Sc3nncs3)cc2)cn1 ZINC000157665255 565141241 /nfs/dbraw/zinc/14/12/41/565141241.db2.gz 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ZINC000157805950 565145121 /nfs/dbraw/zinc/14/51/21/565145121.db2.gz GQCNHYNKGXCNBQ-XMMPIXPASA-N 0 2 383.539 3.312 20 0 GGADLN C[C@H](C(F)(F)F)S(=O)(=O)NCC1(c2ccccc2Br)CC1 ZINC000184567210 565145657 /nfs/dbraw/zinc/14/56/57/565145657.db2.gz PFKOUFVSRWZZSY-SECBINFHSA-N 0 2 386.233 3.351 20 0 GGADLN COc1ccsc1S(=O)(=O)Nc1ccc(CNC(=O)OC(C)C)cc1 ZINC000268346771 565148122 /nfs/dbraw/zinc/14/81/22/565148122.db2.gz IVWZFWKEXAQXHR-UHFFFAOYSA-N 0 2 384.479 3.192 20 0 GGADLN COc1ccsc1S(=O)(=O)Nc1ccccc1CC(=O)OC(C)(C)C ZINC000268375845 565149537 /nfs/dbraw/zinc/14/95/37/565149537.db2.gz WIRUCUTYPJONEB-UHFFFAOYSA-N 0 2 383.491 3.442 20 0 GGADLN Cc1ccc(CNS(=O)(=O)[C@H](C)C(F)(F)F)c(OCC(F)(F)F)c1 ZINC000184664597 565151662 /nfs/dbraw/zinc/15/16/62/565151662.db2.gz JCEVTVIZDZLXHV-SECBINFHSA-N 0 2 379.322 3.306 20 0 GGADLN CCCOc1ccc(CNS(=O)(=O)[C@H](C)C(F)(F)F)c(OC(F)F)c1 ZINC000184684867 565152550 /nfs/dbraw/zinc/15/25/50/565152550.db2.gz OACVTVHFKBNLHU-SECBINFHSA-N 0 2 391.358 3.447 20 0 GGADLN NC(=O)c1cccc(NS(=O)(=O)c2c(Cl)cccc2C(F)(F)F)c1 ZINC000158005325 565152869 /nfs/dbraw/zinc/15/28/69/565152869.db2.gz QPSQNYBOIKTJKL-UHFFFAOYSA-N 0 2 378.759 3.259 20 0 GGADLN Cc1nnc([C@@H]2CCCN(C(=O)c3cc(Cl)cc(Br)c3O)C2)[nH]1 ZINC000268574888 565159272 /nfs/dbraw/zinc/15/92/72/565159272.db2.gz MBDNNWLXZVHDCK-SECBINFHSA-N 0 2 399.676 3.254 20 0 GGADLN O=S(=O)(Nc1nnc(CC(F)(F)F)s1)c1ccccc1OC(F)F ZINC000268704138 565163710 /nfs/dbraw/zinc/16/37/10/565163710.db2.gz HAMHLSLOGBKUQB-UHFFFAOYSA-N 0 2 389.327 3.045 20 0 GGADLN CCCc1nnc(NS(=O)(=O)c2cccc(C)c2Br)s1 ZINC000158478134 565171079 /nfs/dbraw/zinc/17/10/79/565171079.db2.gz FPJDIMNDUWQYIF-UHFFFAOYSA-N 0 2 376.301 3.362 20 0 GGADLN CN(C(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1)C1CCCCC1 ZINC000158543624 565173497 /nfs/dbraw/zinc/17/34/97/565173497.db2.gz GLHQSUUPRNUVMU-UHFFFAOYSA-N 0 2 379.507 3.349 20 0 GGADLN C[C@@H]1CCCC[C@@H]1NC(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000158570205 565173828 /nfs/dbraw/zinc/17/38/28/565173828.db2.gz 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ZINC000371305615 565185424 /nfs/dbraw/zinc/18/54/24/565185424.db2.gz ZMISYYZIIWHZPP-KBXCAEBGSA-N 0 2 384.337 3.046 20 0 GGADLN COc1ccc(Br)c(C[N@@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)c1 ZINC000371333108 565187763 /nfs/dbraw/zinc/18/77/63/565187763.db2.gz CKLJFRJCLYRFFZ-QGZVFWFLSA-N 0 2 396.373 3.058 20 0 GGADLN CC(C)c1nnc(NS(=O)(=O)c2cc(F)ccc2Br)s1 ZINC000269410874 565189866 /nfs/dbraw/zinc/18/98/66/565189866.db2.gz XDXGSOPIWWCPMD-UHFFFAOYSA-N 0 2 380.264 3.364 20 0 GGADLN O=C(CCN1C(=O)[C@@H]2CCCC[C@H]2C1=O)Nc1cc(Cl)c(O)c(Cl)c1 ZINC000159271361 565200230 /nfs/dbraw/zinc/20/02/30/565200230.db2.gz POEKOLGZNIVCNB-GHMZBOCLSA-N 0 2 385.247 3.203 20 0 GGADLN O=C(CCN1C(=O)[C@H]2CCCC[C@@H]2C1=O)Nc1cc(Cl)c(O)c(Cl)c1 ZINC000159271224 565200756 /nfs/dbraw/zinc/20/07/56/565200756.db2.gz POEKOLGZNIVCNB-QWRGUYRKSA-N 0 2 385.247 3.203 20 0 GGADLN Cc1ncc(S(=O)(=O)Nc2ccc(C(=O)N3CCCC[C@H]3C)cc2)s1 ZINC000270000822 565206037 /nfs/dbraw/zinc/20/60/37/565206037.db2.gz YGZMGWNQQFKQEC-GFCCVEGCSA-N 0 2 379.507 3.267 20 0 GGADLN CC1=CCN(C(=O)Cc2ccc(NS(=O)(=O)c3cccs3)cc2)CC1 ZINC000270074845 565208067 /nfs/dbraw/zinc/20/80/67/565208067.db2.gz INOOLPLHYONDIA-UHFFFAOYSA-N 0 2 376.503 3.270 20 0 GGADLN Cn1cnc(-c2ccc(NS(=O)(=O)c3sccc3Br)cc2)n1 ZINC000185635515 565211876 /nfs/dbraw/zinc/21/18/76/565211876.db2.gz BRPPMTJXBAPZFP-UHFFFAOYSA-N 0 2 399.295 3.107 20 0 GGADLN Cc1noc(C2CCN(C(=O)c3cc(Br)c(F)cc3O)CC2)n1 ZINC000294410833 565212080 /nfs/dbraw/zinc/21/20/80/565212080.db2.gz JUDHNKHXNGMZGV-UHFFFAOYSA-N 0 2 384.205 3.005 20 0 GGADLN O=C1CCCC(=O)N1Cc1ccc(NS(=O)(=O)c2ccc(Cl)s2)cc1 ZINC000185624801 565212082 /nfs/dbraw/zinc/21/20/82/565212082.db2.gz MTIPAWFDPOCPBR-UHFFFAOYSA-N 0 2 398.893 3.241 20 0 GGADLN Cn1cnc(-c2ccc(NS(=O)(=O)c3ccc(Br)s3)cc2)n1 ZINC000185638694 565212554 /nfs/dbraw/zinc/21/25/54/565212554.db2.gz MHRYJNOHCQVSOQ-UHFFFAOYSA-N 0 2 399.295 3.107 20 0 GGADLN COc1ccc(Cl)c(S(=O)(=O)Nc2c(C)c(C(F)(F)F)nn2C)c1 ZINC000185958398 565231432 /nfs/dbraw/zinc/23/14/32/565231432.db2.gz 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COC1(C(=O)N=c2ccc(-c3ccc(Br)s3)n[nH]2)CCCC1 ZINC000576327942 566336407 /nfs/dbraw/zinc/33/64/07/566336407.db2.gz RGLXVNPGICSLBE-UHFFFAOYSA-N 0 2 382.283 3.287 20 0 GGADLN CCOC(=O)C(C)(C)c1csc(NS(=O)(=O)c2ccc(C)c(F)c2)n1 ZINC000576455557 566347121 /nfs/dbraw/zinc/34/71/21/566347121.db2.gz UXWLWCCTDXLMEW-UHFFFAOYSA-N 0 2 386.470 3.232 20 0 GGADLN C[C@H]1CN(Cc2csc(NS(=O)(=O)CCC3CCCC3)n2)C[C@H](C)O1 ZINC000576464653 566348755 /nfs/dbraw/zinc/34/87/55/566348755.db2.gz XYVLJCAENUYGGJ-KBPBESRZSA-N 0 2 387.571 3.074 20 0 GGADLN CC[C@@H](CS(=O)(=O)Nc1cc(Br)ccc1OC(C)C)OC ZINC000421147135 566349208 /nfs/dbraw/zinc/34/92/08/566349208.db2.gz FFOWMNHYXQJFRF-LBPRGKRZSA-N 0 2 380.304 3.403 20 0 GGADLN CC[C@@H](CS(=O)(=O)Nc1cc(Cl)ccc1OC[C@@H]1CCCCO1)OC ZINC000421150392 566349394 /nfs/dbraw/zinc/34/93/94/566349394.db2.gz IMMHMENCFUCHSG-GJZGRUSLSA-N 0 2 391.917 3.455 20 0 GGADLN C[C@@H]1SCC[C@@H]1NC(=O)c1cccc(NS(=O)(=O)c2cccs2)c1 ZINC000649174440 566349493 /nfs/dbraw/zinc/34/94/93/566349493.db2.gz HMGVNJGEKSHHOG-FZMZJTMJSA-N 0 2 382.532 3.173 20 0 GGADLN Cc1oc(S(=O)(=O)N(C)C)cc1C(=O)Nc1cc(Cl)cc(Cl)c1O ZINC000536095236 566349953 /nfs/dbraw/zinc/34/99/53/566349953.db2.gz RVDCKQDTQBOWLS-UHFFFAOYSA-N 0 2 393.248 3.103 20 0 GGADLN COc1ccc(Br)cc1NS(=O)(=O)C[C@H](CC(C)C)OC ZINC000421152253 566350152 /nfs/dbraw/zinc/35/01/52/566350152.db2.gz JSKIPLGJOPFQCN-LBPRGKRZSA-N 0 2 380.304 3.261 20 0 GGADLN CC[C@H](CS(=O)(=O)Nc1cc(Cl)ccc1OC[C@@H]1CCCO1)OC ZINC000421149380 566350195 /nfs/dbraw/zinc/35/01/95/566350195.db2.gz FSKIZQCWELDGGT-KGLIPLIRSA-N 0 2 377.890 3.065 20 0 GGADLN O=C(CCn1cnc2ccccc2c1=O)Nc1cc(Cl)cc(Cl)c1O ZINC000536096952 566350247 /nfs/dbraw/zinc/35/02/47/566350247.db2.gz WSFNYXNRYDKEAK-UHFFFAOYSA-N 0 2 378.215 3.438 20 0 GGADLN C[C@@H]1Oc2ccccc2N(CC(=O)Nc2cc(Cl)cc(Cl)c2O)C1=O ZINC000536096415 566350459 /nfs/dbraw/zinc/35/04/59/566350459.db2.gz VLDVRPGZBIEJGY-VIFPVBQESA-N 0 2 381.215 3.452 20 0 GGADLN CCOc1cc(Br)c(F)cc1NS(=O)(=O)C[C@H](CC)OC ZINC000421163625 566351462 /nfs/dbraw/zinc/35/14/62/566351462.db2.gz IISFEORKUGJQII-VIFPVBQESA-N 0 2 384.267 3.154 20 0 GGADLN CC[C@@H](CS(=O)(=O)Nc1cc(Cl)ccc1-c1nc(C2CC2)no1)OC ZINC000421155577 566351604 /nfs/dbraw/zinc/35/16/04/566351604.db2.gz OAELPHMXGDRFFD-LBPRGKRZSA-N 0 2 385.873 3.434 20 0 GGADLN C[C@@H]1CC[N@H+](Cc2nc(-c3cc(Br)cs3)no2)[C@@H](C(=O)[O-])C1 ZINC000576523065 566353305 /nfs/dbraw/zinc/35/33/05/566353305.db2.gz MAVSGZLRFBGWKL-PSASIEDQSA-N 0 2 386.271 3.246 20 0 GGADLN C[C@@H]1CC[N@@H+](Cc2nc(-c3cc(Br)cs3)no2)[C@@H](C(=O)[O-])C1 ZINC000576523065 566353311 /nfs/dbraw/zinc/35/33/11/566353311.db2.gz MAVSGZLRFBGWKL-PSASIEDQSA-N 0 2 386.271 3.246 20 0 GGADLN O=C(N=c1ccc(-c2ccc(Br)s2)n[nH]1)N1CCC[C@H](F)C1 ZINC000576527042 566353538 /nfs/dbraw/zinc/35/35/38/566353538.db2.gz OGSZWEQRCFDBQL-VIFPVBQESA-N 0 2 385.262 3.355 20 0 GGADLN Cc1cc(NS(=O)(=O)c2ccc(F)c(Br)c2)nn1C(C)C ZINC000421180475 566353609 /nfs/dbraw/zinc/35/36/09/566353609.db2.gz FPASFCNTCAKUQT-UHFFFAOYSA-N 0 2 376.251 3.475 20 0 GGADLN CCOc1ncc(C)cc1NS(=O)(=O)c1cc(F)ccc1OC(F)F ZINC000421167937 566353711 /nfs/dbraw/zinc/35/37/11/566353711.db2.gz WLAAEUKWLHFABU-UHFFFAOYSA-N 0 2 376.356 3.330 20 0 GGADLN COc1cccc(SC)c1NS(=O)(=O)C[C@H](Cc1ccccc1)OC ZINC000421166977 566353730 /nfs/dbraw/zinc/35/37/30/566353730.db2.gz RSNSUWSWYYRNLI-HNNXBMFYSA-N 0 2 381.519 3.417 20 0 GGADLN COc1ccc(F)cc1[C@H](C)NS(=O)(=O)c1c(F)c(F)cc(F)c1F ZINC000509989729 566354146 /nfs/dbraw/zinc/35/41/46/566354146.db2.gz HQXNYIFUJYUIIT-ZETCQYMHSA-N 0 2 381.322 3.430 20 0 GGADLN CCSCc1cccc(NS(=O)(=O)c2cc(C(F)(F)F)nn2C)c1 ZINC000600649946 566354266 /nfs/dbraw/zinc/35/42/66/566354266.db2.gz ZYIBQIOPAYRSSI-UHFFFAOYSA-N 0 2 379.429 3.493 20 0 GGADLN COC(=O)c1cc(F)cc(S(=O)(=O)Nc2ncc(C(C)C)s2)c1F ZINC000600665129 566355722 /nfs/dbraw/zinc/35/57/22/566355722.db2.gz KCDNSBSHNUDRCI-UHFFFAOYSA-N 0 2 376.406 3.132 20 0 GGADLN COC(=O)c1c(F)cccc1S(=O)(=O)Nc1ccc(SC)cc1OC ZINC000446617968 566357010 /nfs/dbraw/zinc/35/70/10/566357010.db2.gz QXVUPYXFAAPSTB-UHFFFAOYSA-N 0 2 385.438 3.144 20 0 GGADLN CCCN(C)c1ccccc1NS(=O)(=O)c1c(C)csc1C(=O)OC ZINC000600669508 566357411 /nfs/dbraw/zinc/35/74/11/566357411.db2.gz PUZJZPDICVNMRW-UHFFFAOYSA-N 0 2 382.507 3.490 20 0 GGADLN COC(=O)c1ccc(S(=O)(=O)Nc2nc3c(s2)CCC3(C)C)cc1F ZINC000421231951 566357628 /nfs/dbraw/zinc/35/76/28/566357628.db2.gz KNXODWQXBMTJOZ-UHFFFAOYSA-N 0 2 384.454 3.093 20 0 GGADLN COC(=O)c1cccc(CS(=O)(=O)Nc2nc3c(s2)CCC3(C)C)c1 ZINC000421233165 566357688 /nfs/dbraw/zinc/35/76/88/566357688.db2.gz MRFNRIPMMHZOEL-UHFFFAOYSA-N 0 2 380.491 3.095 20 0 GGADLN COC(=O)Cc1ccc(S(=O)(=O)Nc2nc(C(C)(C)C)cs2)cc1F ZINC000421231366 566357777 /nfs/dbraw/zinc/35/77/77/566357777.db2.gz WRFHVCLUGOBHAH-UHFFFAOYSA-N 0 2 386.470 3.096 20 0 GGADLN O=S(=O)(Nc1ncc(-c2ccccc2F)s1)c1ccc2c(c1)OCO2 ZINC000670330536 566357934 /nfs/dbraw/zinc/35/79/34/566357934.db2.gz XQGYYKOQKKEQRK-UHFFFAOYSA-N 0 2 378.406 3.479 20 0 GGADLN CC[C@H](CS(=O)(=O)Nc1ncccc1C(=O)c1cccc(Cl)c1)OC ZINC000421232381 566358085 /nfs/dbraw/zinc/35/80/85/566358085.db2.gz LICKEGVQWIWYNA-CQSZACIVSA-N 0 2 382.869 3.133 20 0 GGADLN CC(=O)Nc1cc(S(=O)(=O)Nc2nc3c(s2)CCC3(C)C)ccc1F ZINC000421232730 566358199 /nfs/dbraw/zinc/35/81/99/566358199.db2.gz LUNBUZPGPMSPIX-UHFFFAOYSA-N 0 2 383.470 3.265 20 0 GGADLN COC(=O)[C@@H]1CCc2sc(NS(=O)(=O)CCC3CCCCC3)nc2C1 ZINC000421229735 566358231 /nfs/dbraw/zinc/35/82/31/566358231.db2.gz GKQDPFVOJPLHET-CYBMUJFWSA-N 0 2 386.539 3.133 20 0 GGADLN CCc1oc(C(=O)OC)cc1S(=O)(=O)Nc1ccc(SC)cc1OC ZINC000446639817 566359716 /nfs/dbraw/zinc/35/97/16/566359716.db2.gz XEBWCSDSDJUKHS-UHFFFAOYSA-N 0 2 385.463 3.160 20 0 GGADLN CC[C@@H](CS(=O)(=O)Nc1nc(C)c(Cc2ccc(F)cc2F)s1)OC ZINC000421254422 566360390 /nfs/dbraw/zinc/36/03/90/566360390.db2.gz ZHLGLPHTMZNVIX-ZDUSSCGKSA-N 0 2 390.477 3.487 20 0 GGADLN O=C(Cc1ccc(Br)c(F)c1)Nc1cccc(-c2n[nH]c(=O)[nH]2)c1 ZINC000557083784 566360816 /nfs/dbraw/zinc/36/08/16/566360816.db2.gz ICQFHBPFXCZIPK-UHFFFAOYSA-N 0 2 391.200 3.260 20 0 GGADLN Cc1sc(N2CC[NH+](CCOc3ccccc3Cl)CC2)nc1C(=O)[O-] ZINC000649384110 566363402 /nfs/dbraw/zinc/36/34/02/566363402.db2.gz GMSBKFQMXDBCFC-UHFFFAOYSA-N 0 2 381.885 3.004 20 0 GGADLN CCCn1ccc2cc(NS(=O)(=O)c3csnc3C(=O)OC)ccc21 ZINC000446719714 566363501 /nfs/dbraw/zinc/36/35/01/566363501.db2.gz PWGXCTADYSQLMK-UHFFFAOYSA-N 0 2 379.463 3.095 20 0 GGADLN O=C(CC1(O)CCCCC1)Nc1nc(-c2ccc(Br)cc2F)n[nH]1 ZINC000536313439 566363794 /nfs/dbraw/zinc/36/37/94/566363794.db2.gz BGAUUCLNHMXOEU-UHFFFAOYSA-N 0 2 397.248 3.397 20 0 GGADLN COC(=O)c1ccc(C(F)(F)F)cc1S(=O)(=O)Nc1cc(Cl)ccn1 ZINC000446721382 566364341 /nfs/dbraw/zinc/36/43/41/566364341.db2.gz SXSCPSACFKWOJE-UHFFFAOYSA-N 0 2 394.758 3.341 20 0 GGADLN COC(=O)c1scc(C)c1S(=O)(=O)Nc1nnc(-c2ccc(C)s2)o1 ZINC000446769275 566365578 /nfs/dbraw/zinc/36/55/78/566365578.db2.gz PCAUWWFHEJETQZ-UHFFFAOYSA-N 0 2 399.475 3.064 20 0 GGADLN CC(=O)Nc1ccncc1NS(=O)(=O)c1cc2cc(Cl)ccc2s1 ZINC000446772385 566366427 /nfs/dbraw/zinc/36/64/27/566366427.db2.gz HPIDPGUKLJVWKS-UHFFFAOYSA-N 0 2 381.866 3.131 20 0 GGADLN O=S(=O)(Nc1nnc([C@@H]2COc3ccccc3O2)o1)c1ccc(Cl)s1 ZINC000446769051 566366464 /nfs/dbraw/zinc/36/64/64/566366464.db2.gz KCVWKKIZOXQTRK-JTQLQIEISA-N 0 2 399.837 3.098 20 0 GGADLN Cc1c(NC(=O)C(=O)Nc2cc(Cl)c(O)c(Cl)c2)cnn1CC(C)C ZINC000446848952 566368641 /nfs/dbraw/zinc/36/86/41/566368641.db2.gz LABYTPQXZPESFZ-UHFFFAOYSA-N 0 2 385.251 3.437 20 0 GGADLN COC(=O)Cc1cccc(S(=O)(=O)Nc2nc3cc(Cl)ccc3s2)c1 ZINC000576676500 566368875 /nfs/dbraw/zinc/36/88/75/566368875.db2.gz KISMJXKUQTUAMX-UHFFFAOYSA-N 0 2 396.877 3.466 20 0 GGADLN C[C@@H]1CN(C(=O)C(=O)Nc2cc(Cl)c(O)c(Cl)c2)c2ccccc2O1 ZINC000446881377 566369002 /nfs/dbraw/zinc/36/90/02/566369002.db2.gz PWUNTADRKRHLNK-SECBINFHSA-N 0 2 381.215 3.452 20 0 GGADLN COC(=O)c1cccc2[nH]c(NS(=O)(=O)c3ccc(Cl)cc3C)nc21 ZINC000510224567 566370464 /nfs/dbraw/zinc/37/04/64/566370464.db2.gz VBHQOJUWMLMHFO-UHFFFAOYSA-N 0 2 379.825 3.112 20 0 GGADLN COC(=O)c1cccc2[nH]c(NS(=O)(=O)c3ccc(C)c(Cl)c3)nc21 ZINC000510220401 566370770 /nfs/dbraw/zinc/37/07/70/566370770.db2.gz CCNPRXOIQLRHIA-UHFFFAOYSA-N 0 2 379.825 3.112 20 0 GGADLN Cn1nc2c(c1NS(=O)(=O)c1ccc(Br)c(Cl)c1)CCC2 ZINC000536421637 566371064 /nfs/dbraw/zinc/37/10/64/566371064.db2.gz ZVXNQAOQIIFHTH-UHFFFAOYSA-N 0 2 390.690 3.126 20 0 GGADLN O=S(=O)(Nc1c[nH]nc1-c1nccs1)c1ccccc1OC(F)(F)F ZINC000446944867 566373159 /nfs/dbraw/zinc/37/31/59/566373159.db2.gz XFYYSTDLLUFIJL-UHFFFAOYSA-N 0 2 390.368 3.233 20 0 GGADLN COCCS(=O)(=O)Nc1nc(C)c(Cc2cccc(Cl)c2F)s1 ZINC000446949517 566373277 /nfs/dbraw/zinc/37/32/77/566373277.db2.gz VPNJCIMQGTWERO-UHFFFAOYSA-N 0 2 378.878 3.223 20 0 GGADLN CCOC(=O)c1[nH]c(C)c(S(=O)(=O)Nc2nc(C3CCC3)cs2)c1C ZINC000446944735 566373420 /nfs/dbraw/zinc/37/34/20/566373420.db2.gz WWFCWHAFMPRZNT-UHFFFAOYSA-N 0 2 383.495 3.333 20 0 GGADLN CCCOc1ccc(S(=O)(=O)Nc2nnc(Cc3ccsc3)o2)cc1 ZINC000446952667 566373690 /nfs/dbraw/zinc/37/36/90/566373690.db2.gz RMUKIYDMWHGNHO-UHFFFAOYSA-N 0 2 379.463 3.312 20 0 GGADLN O=S(=O)(Nc1c[nH]nc1-c1nccs1)c1cccc(Br)c1 ZINC000446965894 566375197 /nfs/dbraw/zinc/37/51/97/566375197.db2.gz JHLXLBIGUBAUNQ-UHFFFAOYSA-N 0 2 385.268 3.097 20 0 GGADLN Cc1cc(F)c(Br)cc1S(=O)(=O)Nc1ccc(C2CC2)nn1 ZINC000446963014 566375387 /nfs/dbraw/zinc/37/53/87/566375387.db2.gz SJKJKIJFOFBXTJ-UHFFFAOYSA-N 0 2 386.246 3.365 20 0 GGADLN CCC(=O)c1cccc(S(=O)(=O)Nc2nnc(Cc3ccsc3)o2)c1 ZINC000446963888 566375426 /nfs/dbraw/zinc/37/54/26/566375426.db2.gz DHRQFAGEZBAHDK-UHFFFAOYSA-N 0 2 377.447 3.115 20 0 GGADLN O=S(=O)(Nc1c[nH]nc1-c1nccs1)c1ccc(CC(F)(F)F)cc1 ZINC000446962798 566375570 /nfs/dbraw/zinc/37/55/70/566375570.db2.gz PNZJRRCLOLXRMO-UHFFFAOYSA-N 0 2 388.396 3.439 20 0 GGADLN CCc1n[nH]c(NS(=O)(=O)c2cc(Cl)ccc2Br)c1C ZINC000576795026 566379668 /nfs/dbraw/zinc/37/96/68/566379668.db2.gz FBTKWQBMKZGDJN-UHFFFAOYSA-N 0 2 378.679 3.497 20 0 GGADLN COc1ccc(Br)cc1S(=O)(=O)Nc1cc2c(cn1)CCC2 ZINC000649635657 566380918 /nfs/dbraw/zinc/38/09/18/566380918.db2.gz OQTPTZQMHCJCCB-UHFFFAOYSA-N 0 2 383.267 3.142 20 0 GGADLN COc1cc(Cl)ccc1S(=O)(=O)Nc1cnn(C2CCOCC2)c1C ZINC000649650499 566382037 /nfs/dbraw/zinc/38/20/37/566382037.db2.gz WCNDTBJMVLYWOM-UHFFFAOYSA-N 0 2 385.873 3.006 20 0 GGADLN CN(Cc1cccc(Br)c1)C(=O)c1ccc(-c2nc(=O)o[nH]2)cc1 ZINC000600944219 566382046 /nfs/dbraw/zinc/38/20/46/566382046.db2.gz JGSLOQHFHOHJGE-UHFFFAOYSA-N 0 2 388.221 3.065 20 0 GGADLN COc1cc(Cl)ccc1S(=O)(=O)Nc1ncc(C2CCOCC2)s1 ZINC000649656055 566382387 /nfs/dbraw/zinc/38/23/87/566382387.db2.gz GFFKMZHJRLPDCP-UHFFFAOYSA-N 0 2 388.898 3.500 20 0 GGADLN Cn1cc(Br)cc1-c1n[n-]c(=[NH+]C(C)(C)C)n1C[C@@H]1CCCCO1 ZINC000463081701 566383005 /nfs/dbraw/zinc/38/30/05/566383005.db2.gz BOOOQBCLIKOBHO-ZDUSSCGKSA-N 0 2 396.333 3.248 20 0 GGADLN CC(C)(C)[NH+]=c1[n-]nc(-c2ccc(Br)cc2)n1C[C@H]1CCOC1 ZINC000463087675 566383269 /nfs/dbraw/zinc/38/32/69/566383269.db2.gz ACIDMGPGTQOAHO-GFCCVEGCSA-N 0 2 379.302 3.376 20 0 GGADLN CC(C)(C)[NH+]=c1[n-]nc(-c2ccc(Br)cc2)n1C[C@@H]1CCOC1 ZINC000463087677 566383406 /nfs/dbraw/zinc/38/34/06/566383406.db2.gz ACIDMGPGTQOAHO-LBPRGKRZSA-N 0 2 379.302 3.376 20 0 GGADLN C[C@H](OC[C@@H]1CCCO1)C(=O)Nc1nc(-c2cc(Cl)ccc2Cl)n[nH]1 ZINC000463164011 566387180 /nfs/dbraw/zinc/38/71/80/566387180.db2.gz SOCWBZZYWPWVPK-ONGXEEELSA-N 0 2 385.251 3.301 20 0 GGADLN Cc1nn(C)c(C)c1CC(=O)Nc1nc(-c2cc(Cl)ccc2Cl)n[nH]1 ZINC000463165115 566388205 /nfs/dbraw/zinc/38/82/05/566388205.db2.gz XEJBEGOFZFWZNX-UHFFFAOYSA-N 0 2 379.251 3.310 20 0 GGADLN O=S(=O)(NC1CC(C(F)(F)F)C1)c1cc(F)c(Br)cc1F ZINC000576968605 566395145 /nfs/dbraw/zinc/39/51/45/566395145.db2.gz BEKBURMZWXSDBH-UHFFFAOYSA-N 0 2 394.159 3.347 20 0 GGADLN O=C(Nc1c[nH]nc1-c1nccs1)C(=O)Nc1cc(Cl)c(O)c(Cl)c1 ZINC000447238143 566396796 /nfs/dbraw/zinc/39/67/96/566396796.db2.gz JJNWPPFEKKSSNX-UHFFFAOYSA-N 0 2 398.231 3.123 20 0 GGADLN COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc(NC(C)=O)cc1OC ZINC000447262854 566397832 /nfs/dbraw/zinc/39/78/32/566397832.db2.gz GHTBFKJDQXYYFS-UHFFFAOYSA-N 0 2 384.841 3.116 20 0 GGADLN 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/nfs/dbraw/zinc/04/87/94/567048794.db2.gz SAQSKUVJYCYLRE-SVRRBLITSA-N 0 2 379.772 3.249 20 0 GGADLN Cc1cnc2c(cccc2S(=O)(=O)Nc2nnc([C@@H]3CCCO3)s2)c1 ZINC000634664490 567049445 /nfs/dbraw/zinc/04/94/45/567049445.db2.gz DKSHLALZFQKIHG-LBPRGKRZSA-N 0 2 376.463 3.047 20 0 GGADLN C[C@@H]1C[C@H]1c1nnc(NS(=O)(=O)c2ccc(Cl)cc2Br)o1 ZINC000634663242 567049740 /nfs/dbraw/zinc/04/97/40/567049740.db2.gz ZWKFELNZRLCIKJ-HTRCEHHLSA-N 0 2 392.662 3.410 20 0 GGADLN COc1cc(C[NH+]=c2[n-]nc3ccc(Br)cn32)ccc1OC(C)C ZINC000453052836 567049840 /nfs/dbraw/zinc/04/98/40/567049840.db2.gz QJPOMTLXUDZEOA-UHFFFAOYSA-N 0 2 391.269 3.322 20 0 GGADLN CC(C)COc1ccc(S(=O)(=O)Nc2nnc([C@@H]3CCCO3)s2)cc1 ZINC000634664594 567049921 /nfs/dbraw/zinc/04/99/21/567049921.db2.gz HMPPMDNXVYCZND-AWEZNQCLSA-N 0 2 383.495 3.225 20 0 GGADLN Cc1c2cc(F)ccc2oc1S(=O)(=O)Nc1nnc([C@H]2CCCO2)s1 ZINC000634664514 567049967 /nfs/dbraw/zinc/04/99/67/567049967.db2.gz FCMQCLXVJHWOCX-GFCCVEGCSA-N 0 2 383.426 3.384 20 0 GGADLN CC[C@H](C)Oc1cccc(S(=O)(=O)Nc2nnc([C@@H]3CCCO3)s2)c1 ZINC000634664509 567050216 /nfs/dbraw/zinc/05/02/16/567050216.db2.gz DVNQYCAWADLDBQ-FZMZJTMJSA-N 0 2 383.495 3.368 20 0 GGADLN CCn1cc(NC(=O)c2cccc(NS(=O)(=O)c3cccs3)c2)cn1 ZINC000613628436 567050345 /nfs/dbraw/zinc/05/03/45/567050345.db2.gz LCPLQYYWUITHCL-UHFFFAOYSA-N 0 2 376.463 3.018 20 0 GGADLN CC(C)COc1ccc(S(=O)(=O)Nc2nnc([C@H]3CCCO3)s2)cc1 ZINC000634664595 567050459 /nfs/dbraw/zinc/05/04/59/567050459.db2.gz HMPPMDNXVYCZND-CQSZACIVSA-N 0 2 383.495 3.225 20 0 GGADLN O=S(=O)(Nc1nnc([C@@H]2CCCO2)s1)c1csc(-c2ccccc2)n1 ZINC000634664566 567050473 /nfs/dbraw/zinc/05/04/73/567050473.db2.gz GOEMRZGFQGUMLJ-NSHDSACASA-N 0 2 394.503 3.314 20 0 GGADLN O=S(=O)(Nc1nnc([C@@H]2CCCO2)s1)c1c(Cl)cccc1Cl ZINC000634665179 567051865 /nfs/dbraw/zinc/05/18/65/567051865.db2.gz YATXWNCGRDNZBE-VIFPVBQESA-N 0 2 380.278 3.497 20 0 GGADLN O=S(=O)(Nc1nnc([C@H]2CCCO2)s1)c1ccc(F)c(C(F)(F)F)c1 ZINC000634665098 567052281 /nfs/dbraw/zinc/05/22/81/567052281.db2.gz 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O=S(=O)(Nc1ccc(-c2nncs2)cc1)c1cnn(C2CCCC2)c1 ZINC000634792555 567061612 /nfs/dbraw/zinc/06/16/12/567061612.db2.gz XCPOAQRRSNODIL-UHFFFAOYSA-N 0 2 375.479 3.318 20 0 GGADLN Cc1cc(C)c(S(=O)(=O)Nc2cccc(C(=O)N3CCSCC3)c2)s1 ZINC000431167705 567061977 /nfs/dbraw/zinc/06/19/77/567061977.db2.gz MNPPSKBNAFLYBE-UHFFFAOYSA-N 0 2 396.559 3.355 20 0 GGADLN Cc1cc(C)c(S(=O)(=O)Nc2ccccc2-c2nnnn2C(C)C)s1 ZINC000431173356 567062267 /nfs/dbraw/zinc/06/22/67/567062267.db2.gz QNUZOKGSNNZDJW-UHFFFAOYSA-N 0 2 377.495 3.400 20 0 GGADLN Cc1cc(F)c(C(F)(F)F)cc1NS(=O)(=O)c1cnn(CC(F)F)c1 ZINC000634793172 567062212 /nfs/dbraw/zinc/06/22/12/567062212.db2.gz YUJMOEDUCJOAHE-UHFFFAOYSA-N 0 2 387.305 3.415 20 0 GGADLN COC(=O)COc1ccc(NS(=O)(=O)c2sc(C)cc2C)cc1Cl ZINC000431178863 567064227 /nfs/dbraw/zinc/06/42/27/567064227.db2.gz BAWIVSOXUOTWBC-UHFFFAOYSA-N 0 2 389.882 3.371 20 0 GGADLN COc1c(C(=O)N(C)C)cc(Cl)cc1S(=O)(=O)Nc1csc(C)c1 ZINC000634797418 567064456 /nfs/dbraw/zinc/06/44/56/567064456.db2.gz 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COC[C@@H](C)Oc1ccc(Cl)cc1S(=O)(=O)Nc1noc(C(C)C)n1 ZINC000527292365 567328481 /nfs/dbraw/zinc/32/84/81/567328481.db2.gz RVVORQZRNBSOIA-SNVBAGLBSA-N 0 2 389.861 3.061 20 0 GGADLN COC(=O)c1nscc1NS(=O)(=O)c1cc(C(C)(C)C)ccc1OC ZINC000592352213 567330685 /nfs/dbraw/zinc/33/06/85/567330685.db2.gz QWBBFPIECOGQQP-UHFFFAOYSA-N 0 2 384.479 3.037 20 0 GGADLN COC(=O)c1sccc1NS(=O)(=O)c1ccc2c(cnn2C(C)C)c1 ZINC000476509672 567330946 /nfs/dbraw/zinc/33/09/46/567330946.db2.gz OESAQASHTPPPCQ-UHFFFAOYSA-N 0 2 379.463 3.266 20 0 GGADLN CC(C)(C)c1ccc(S(=O)(=O)Nc2ccccc2O[C@@H]2CC(=O)N2)s1 ZINC000568498291 567333186 /nfs/dbraw/zinc/33/31/86/567333186.db2.gz OOLJUTBPMKPDAZ-OAHLLOKOSA-N 0 2 380.491 3.071 20 0 GGADLN CSCC[C@H](C)N(C)C(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000476546056 567333569 /nfs/dbraw/zinc/33/35/69/567333569.db2.gz MBOWTHXGQNFPEQ-LBPRGKRZSA-N 0 2 399.563 3.158 20 0 GGADLN C[C@H]1CC[C@H](NC(=O)c2ccc(S(=O)(=O)Nc3nccs3)cc2)CC1 ZINC000476549613 567333794 /nfs/dbraw/zinc/33/37/94/567333794.db2.gz ZPQFTIRYNKLVAL-MQMHXKEQSA-N 0 2 379.507 3.252 20 0 GGADLN CC(=O)Nc1ccc(NC(=O)C(=O)Nc2cc(Cl)c(O)c(Cl)c2)cc1 ZINC000527346214 567334101 /nfs/dbraw/zinc/33/41/01/567334101.db2.gz RXOBHUPBWRELOF-UHFFFAOYSA-N 0 2 382.203 3.235 20 0 GGADLN CCOc1ccccc1NS(=O)(=O)c1ccc(OCC(F)(F)F)nc1 ZINC000476562149 567334488 /nfs/dbraw/zinc/33/44/88/567334488.db2.gz JESAFAQVARWMIN-UHFFFAOYSA-N 0 2 376.356 3.222 20 0 GGADLN C[C@H]1CC[N@H+](Cc2c(F)ccc(I)c2F)C[C@H]1C(=O)[O-] ZINC000592423595 567337616 /nfs/dbraw/zinc/33/76/16/567337616.db2.gz ORWWKXZEVQQGGA-DTWKUNHWSA-N 0 2 395.187 3.112 20 0 GGADLN C[C@H]1CC[N@@H+](Cc2c(F)ccc(I)c2F)C[C@H]1C(=O)[O-] ZINC000592423595 567337619 /nfs/dbraw/zinc/33/76/19/567337619.db2.gz ORWWKXZEVQQGGA-DTWKUNHWSA-N 0 2 395.187 3.112 20 0 GGADLN C[C@@H]1CC[N@H+](Cc2c(F)ccc(I)c2F)C[C@H]1C(=O)[O-] ZINC000592423597 567337815 /nfs/dbraw/zinc/33/78/15/567337815.db2.gz ORWWKXZEVQQGGA-RKDXNWHRSA-N 0 2 395.187 3.112 20 0 GGADLN C[C@@H]1CC[N@@H+](Cc2c(F)ccc(I)c2F)C[C@H]1C(=O)[O-] ZINC000592423597 567337820 /nfs/dbraw/zinc/33/78/20/567337820.db2.gz ORWWKXZEVQQGGA-RKDXNWHRSA-N 0 2 395.187 3.112 20 0 GGADLN Cc1cc(C)c(NC(=O)N2CCC[C@@H](c3n[nH]c(=O)[nH]3)C2)cc1Br ZINC000640017524 567338023 /nfs/dbraw/zinc/33/80/23/567338023.db2.gz ZFKTXJTYZAHFLI-LLVKDONJSA-N 0 2 394.273 3.301 20 0 GGADLN COc1c(Cl)cccc1NS(=O)(=O)c1ccc(OCC(F)(F)F)nc1 ZINC000476594249 567338355 /nfs/dbraw/zinc/33/83/55/567338355.db2.gz IOQGDWSLGKUZEH-UHFFFAOYSA-N 0 2 396.774 3.486 20 0 GGADLN Cc1cc(F)c(Br)cc1NC(=O)N1CCC[C@@H](c2n[nH]c(=O)[nH]2)C1 ZINC000640057271 567338736 /nfs/dbraw/zinc/33/87/36/567338736.db2.gz UEULMTPSGPQWEV-SECBINFHSA-N 0 2 398.236 3.132 20 0 GGADLN O=S(=O)(N[C@H](C1CCCC1)C(F)(F)F)c1ccc(Br)o1 ZINC000568568782 567339354 /nfs/dbraw/zinc/33/93/54/567339354.db2.gz LEGFKOTYANDSCB-SNVBAGLBSA-N 0 2 376.194 3.442 20 0 GGADLN CCc1[nH]nc(C(=O)Nc2nc(-c3ccc(C)cc3)n[nH]2)c1Br ZINC000568589344 567340827 /nfs/dbraw/zinc/34/08/27/567340827.db2.gz ITDJYZPMKGJQJF-UHFFFAOYSA-N 0 2 375.230 3.080 20 0 GGADLN CCOC(=O)c1ncc(NS(=O)(=O)c2ccc(C)c(C(F)(F)F)c2)s1 ZINC000500756912 567342716 /nfs/dbraw/zinc/34/27/16/567342716.db2.gz GKUXYEPVUBATQL-UHFFFAOYSA-N 0 2 394.396 3.448 20 0 GGADLN COc1cc(NC(C)=O)ccc1NS(=O)(=O)c1cnc2ccsc2c1 ZINC000435140424 567343373 /nfs/dbraw/zinc/34/33/73/567343373.db2.gz SLLHTHLKVWCJPX-UHFFFAOYSA-N 0 2 377.447 3.064 20 0 GGADLN CC(C)(C)c1ncc(NS(=O)(=O)c2cc(F)ccc2Br)cn1 ZINC000435138627 567343615 /nfs/dbraw/zinc/34/36/15/567343615.db2.gz SVESOUBHOCGYTK-UHFFFAOYSA-N 0 2 388.262 3.477 20 0 GGADLN CCOC(=O)c1ncc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2)s1 ZINC000500776723 567343802 /nfs/dbraw/zinc/34/38/02/567343802.db2.gz WDAGPEQVWGYNLS-UHFFFAOYSA-N 0 2 380.369 3.139 20 0 GGADLN O=C(NCCCC(F)(F)F)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000476692672 567345468 /nfs/dbraw/zinc/34/54/68/567345468.db2.gz OAWIXZWLGVKTKE-UHFFFAOYSA-N 0 2 393.412 3.016 20 0 GGADLN CCn1nccc1NS(=O)(=O)c1cc(Cl)c(OC)cc1Br ZINC000435198457 567346261 /nfs/dbraw/zinc/34/62/61/567346261.db2.gz YYJAWQRBSFCQJH-UHFFFAOYSA-N 0 2 394.678 3.128 20 0 GGADLN CCSCC[C@@H](C)NC(=O)c1ccc(S(=O)(=O)Nc2nccs2)cc1 ZINC000476728313 567346738 /nfs/dbraw/zinc/34/67/38/567346738.db2.gz RZMZCFWGYARQOV-GFCCVEGCSA-N 0 2 399.563 3.205 20 0 GGADLN COc1ccc(OC)c(S(=O)(=O)Nc2nc3c(ccc(F)c3F)s2)c1 ZINC000500851766 567349555 /nfs/dbraw/zinc/34/95/55/567349555.db2.gz IXCSZKKJBBWYSL-UHFFFAOYSA-N 0 2 386.401 3.393 20 0 GGADLN COC(=O)c1cc(S(=O)(=O)Nc2nc3c(ccc(F)c3F)s2)oc1C ZINC000500869012 567350547 /nfs/dbraw/zinc/35/05/47/567350547.db2.gz RCOMMVDNENEMKH-UHFFFAOYSA-N 0 2 388.373 3.063 20 0 GGADLN CCc1csc(NS(=O)(=O)c2cc(N(C)C)ccc2Br)n1 ZINC000500876974 567352037 /nfs/dbraw/zinc/35/20/37/567352037.db2.gz USUPFQLEWUDIIV-UHFFFAOYSA-N 0 2 390.328 3.335 20 0 GGADLN CC(=O)c1ccc(S(=O)(=O)Nc2nc(-c3ccc(C)s3)ns2)cc1 ZINC000476872355 567355559 /nfs/dbraw/zinc/35/55/59/567355559.db2.gz LAJJGAHBQKNBLM-UHFFFAOYSA-N 0 2 379.488 3.000 20 0 GGADLN CCCOc1ccc(S(=O)(=O)Nc2nc(-c3ccccc3)ns2)cc1 ZINC000476920130 567357184 /nfs/dbraw/zinc/35/71/84/567357184.db2.gz UKYVYLCPEWAIOR-UHFFFAOYSA-N 0 2 375.475 3.217 20 0 GGADLN O=S(=O)(Nc1nc2c(s1)CCCCC2)c1cncc(Br)c1 ZINC000476913691 567357591 /nfs/dbraw/zinc/35/75/91/567357591.db2.gz NLEUSNYWYLZGAS-UHFFFAOYSA-N 0 2 388.312 3.370 20 0 GGADLN O=S(=O)(Nc1nc(-c2ccccc2)ns1)c1cccc(C(F)(F)F)c1 ZINC000476918751 567357612 /nfs/dbraw/zinc/35/76/12/567357612.db2.gz YHDQBWYKAZSCGE-UHFFFAOYSA-N 0 2 385.392 3.447 20 0 GGADLN COC(=O)c1cc(C)c(C)c(S(=O)(=O)Nc2ccc(Br)cn2)c1 ZINC000476916795 567357698 /nfs/dbraw/zinc/35/76/98/567357698.db2.gz SSBGPBCHSYWMKJ-UHFFFAOYSA-N 0 2 399.266 3.048 20 0 GGADLN CC(C)(C)c1cnc(NS(=O)(=O)c2cncc(Br)c2)s1 ZINC000476939439 567359962 /nfs/dbraw/zinc/35/99/62/567359962.db2.gz KYCLGJYAAXLOBE-UHFFFAOYSA-N 0 2 376.301 3.399 20 0 GGADLN CC(C)Cc1nnc(NS(=O)(=O)c2cccc(Cl)c2Br)o1 ZINC000568862010 567362003 /nfs/dbraw/zinc/36/20/03/567362003.db2.gz FQMACTXGSOBGDN-UHFFFAOYSA-N 0 2 394.678 3.485 20 0 GGADLN O=C(N=c1nc(-c2cccc(Cl)c2)[nH]s1)N[C@H](CO)CC1CCCC1 ZINC000548976346 567364584 /nfs/dbraw/zinc/36/45/84/567364584.db2.gz WEAKSUFSCKGHJF-AWEZNQCLSA-N 0 2 380.901 3.343 20 0 GGADLN O=C(Nc1ccc2c(c1)NC(=O)CS2)c1cccc(Br)c1O ZINC000592834872 567368231 /nfs/dbraw/zinc/36/82/31/567368231.db2.gz YOUMFVSEQDVATJ-UHFFFAOYSA-N 0 2 379.235 3.451 20 0 GGADLN Cc1ccc(C(N)=O)cc1NS(=O)(=O)c1c(Cl)cc(F)cc1Cl ZINC000435477633 567371291 /nfs/dbraw/zinc/37/12/91/567371291.db2.gz PTHDGGQGJYZXAH-UHFFFAOYSA-N 0 2 377.224 3.341 20 0 GGADLN COC(=O)[C@H]1CC[C@H](C(=O)N=c2nc(-c3ccccc3Cl)[nH]s2)CC1 ZINC000435461409 567371510 /nfs/dbraw/zinc/37/15/10/567371510.db2.gz BYPRUNCVKSEDFE-XYPYZODXSA-N 0 2 379.869 3.198 20 0 GGADLN O=S(=O)(Nc1ncn(Cc2ccccc2)n1)c1ccc(C(F)(F)F)s1 ZINC000569048086 567375524 /nfs/dbraw/zinc/37/55/24/567375524.db2.gz QBVZVXNIKXOFPH-UHFFFAOYSA-N 0 2 388.396 3.208 20 0 GGADLN CCOC(=O)c1nc(NS(=O)(=O)c2ccc(Cl)c(F)c2Cl)oc1C ZINC000569149891 567382269 /nfs/dbraw/zinc/38/22/69/567382269.db2.gz RGZKQMPNEADCLT-UHFFFAOYSA-N 0 2 397.211 3.406 20 0 GGADLN Cc1nc(NS(=O)(=O)c2cc(Br)c(Cl)cc2Cl)no1 ZINC000549573267 567399097 /nfs/dbraw/zinc/39/90/97/567399097.db2.gz XNDLUOGNUXJKIA-UHFFFAOYSA-N 0 2 387.042 3.248 20 0 GGADLN Cc1n[nH]cc1S(=O)(=O)Nc1ccc(OCC(F)F)c(C(F)(F)F)c1 ZINC000435716346 567384315 /nfs/dbraw/zinc/38/43/15/567384315.db2.gz FMRGAGANRWUQIT-UHFFFAOYSA-N 0 2 385.314 3.182 20 0 GGADLN CCc1ccc(O)c(NS(=O)(=O)c2ccc(OCC(F)(F)F)nc2)c1 ZINC000477341747 567389638 /nfs/dbraw/zinc/38/96/38/567389638.db2.gz OUAWUVSMLDXWKK-UHFFFAOYSA-N 0 2 376.356 3.092 20 0 GGADLN Cc1ccc(S(=O)(=O)Nc2ccnn2-c2ccc(Br)cn2)cc1 ZINC000569312827 567395027 /nfs/dbraw/zinc/39/50/27/567395027.db2.gz YLIBLAWEZORPCL-UHFFFAOYSA-N 0 2 393.266 3.139 20 0 GGADLN Cc1nc2ccc(NS(=O)(=O)c3c(Cl)cc(F)cc3Cl)cn2n1 ZINC000435905454 567395511 /nfs/dbraw/zinc/39/55/11/567395511.db2.gz FRPFGNDXXWTTIK-UHFFFAOYSA-N 0 2 375.212 3.284 20 0 GGADLN CCCc1noc(C[N@H+](CCC(=O)[O-])Cc2cccc(Br)c2)n1 ZINC000569347954 567397445 /nfs/dbraw/zinc/39/74/45/567397445.db2.gz YEYRSDNZUNJYTE-UHFFFAOYSA-N 0 2 382.258 3.262 20 0 GGADLN CCCc1noc(C[N@@H+](CCC(=O)[O-])Cc2cccc(Br)c2)n1 ZINC000569347954 567397447 /nfs/dbraw/zinc/39/74/47/567397447.db2.gz YEYRSDNZUNJYTE-UHFFFAOYSA-N 0 2 382.258 3.262 20 0 GGADLN C[S@](=O)c1cccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2F)c1 ZINC000436000037 567399006 /nfs/dbraw/zinc/39/90/06/567399006.db2.gz BBPRDRVLQBHHGR-QHCPKHFHSA-N 0 2 381.372 3.383 20 0 GGADLN COC(=O)c1cccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2F)c1 ZINC000436009026 567400366 /nfs/dbraw/zinc/40/03/66/567400366.db2.gz CGBAEHIDSNWVCR-UHFFFAOYSA-N 0 2 377.315 3.432 20 0 GGADLN Cc1cc(Br)cc(S(=O)(=O)Nc2ccn(CC(F)F)n2)c1 ZINC000436027179 567402539 /nfs/dbraw/zinc/40/25/39/567402539.db2.gz LTYBJYPQIUZGJP-UHFFFAOYSA-N 0 2 380.214 3.020 20 0 GGADLN C[S@](=O)c1ccc(NS(=O)(=O)c2ccc(C(F)(F)F)cc2F)cc1 ZINC000436025176 567402621 /nfs/dbraw/zinc/40/26/21/567402621.db2.gz VGRWINVUPSVGDY-QHCPKHFHSA-N 0 2 381.372 3.383 20 0 GGADLN COC(=O)c1nc(NS(=O)(=O)Cc2ccc(Cl)cc2)sc1C1CC1 ZINC000593280019 567403092 /nfs/dbraw/zinc/40/30/92/567403092.db2.gz QUKQGBFKORIUTB-UHFFFAOYSA-N 0 2 386.882 3.402 20 0 GGADLN CC(C)CNC(=O)c1ccc(NS(=O)(=O)c2cncc(F)c2)cc1Cl ZINC000501830366 567407143 /nfs/dbraw/zinc/40/71/43/567407143.db2.gz NQZZHFNBEUBOLS-UHFFFAOYSA-N 0 2 385.848 3.061 20 0 GGADLN COC(=O)c1csc(S(=O)(=O)Nc2cc(Br)ccc2C)c1 ZINC000501820003 567408091 /nfs/dbraw/zinc/40/80/91/567408091.db2.gz DELBDURYIARVCC-UHFFFAOYSA-N 0 2 390.280 3.406 20 0 GGADLN Cc1cc(Br)cc(S(=O)(=O)Nc2cn(C)nc2C(F)(F)F)c1 ZINC000436158010 567409053 /nfs/dbraw/zinc/40/90/53/567409053.db2.gz BYLPSIXBEIUPNL-UHFFFAOYSA-N 0 2 398.204 3.311 20 0 GGADLN Cc1cc(Br)cc(S(=O)(=O)Nc2cnn(C)c2C(F)(F)F)c1 ZINC000436150813 567409713 /nfs/dbraw/zinc/40/97/13/567409713.db2.gz GTUOHFZMUUXQLV-UHFFFAOYSA-N 0 2 398.204 3.311 20 0 GGADLN Cc1nn2cc(S(=O)(=O)Nc3cc4[nH]ccc4cc3C)cnc2c1Cl ZINC000436176925 567410314 /nfs/dbraw/zinc/41/03/14/567410314.db2.gz DRUYXOGKKDESPW-UHFFFAOYSA-N 0 2 375.841 3.282 20 0 GGADLN COc1ccc(S(=O)(=O)Nc2ccnn2Cc2ccc(C)o2)c(Cl)c1 ZINC000569524597 567411199 /nfs/dbraw/zinc/41/11/99/567411199.db2.gz DDUSEPOSWFDYEY-UHFFFAOYSA-N 0 2 381.841 3.296 20 0 GGADLN COC(=O)c1scc(C)c1NS(=O)(=O)c1ccc2c(c1)CC(C)(C)O2 ZINC000436192918 567414048 /nfs/dbraw/zinc/41/40/48/567414048.db2.gz VTUUIQCMXHKPTG-UHFFFAOYSA-N 0 2 381.475 3.357 20 0 GGADLN COC(=O)c1scc(C)c1NS(=O)(=O)c1ccc(C(=O)C(C)C)cc1 ZINC000436203260 567414189 /nfs/dbraw/zinc/41/41/89/567414189.db2.gz YOKCDJVLPOTCRO-UHFFFAOYSA-N 0 2 381.475 3.483 20 0 GGADLN O=C([O-])[C@H]1CCC[N@@H+]1Cc1cccc(OCC(F)(F)F)c1Br ZINC000662199306 567416027 /nfs/dbraw/zinc/41/60/27/567416027.db2.gz VFXIONCZIROMJQ-SNVBAGLBSA-N 0 2 382.176 3.439 20 0 GGADLN O=C([O-])[C@H]1CCC[N@H+]1Cc1cccc(OCC(F)(F)F)c1Br ZINC000662199306 567416028 /nfs/dbraw/zinc/41/60/28/567416028.db2.gz VFXIONCZIROMJQ-SNVBAGLBSA-N 0 2 382.176 3.439 20 0 GGADLN C[C@H](C(=O)Nc1ccccc1Br)[NH+]1CCC(CCC(=O)[O-])CC1 ZINC000662218449 567417077 /nfs/dbraw/zinc/41/70/77/567417077.db2.gz NIYGHAGSQMIQTE-GFCCVEGCSA-N 0 2 383.286 3.353 20 0 GGADLN CC[C@@H](NC(=O)Cc1ccc(NS(=O)(=O)c2cccs2)cc1)C1CC1 ZINC000618863743 567419002 /nfs/dbraw/zinc/41/90/02/567419002.db2.gz NHMVKCZMYBMUKA-MRXNPFEDSA-N 0 2 378.519 3.396 20 0 GGADLN COc1ccc(S(=O)(=O)Nc2nc(-c3ccccc3)ns2)c(Cl)c1 ZINC000569644681 567420151 /nfs/dbraw/zinc/42/01/51/567420151.db2.gz ICWJVEQUDYQCQY-UHFFFAOYSA-N 0 2 381.866 3.090 20 0 GGADLN COC(=O)c1cncc(S(=O)(=O)Nc2ncc(C3CCCCC3)s2)c1 ZINC000618974592 567427494 /nfs/dbraw/zinc/42/74/94/567427494.db2.gz LMPUPVHGZJFMJL-UHFFFAOYSA-N 0 2 381.479 3.173 20 0 GGADLN O=C([C@@H]1C[C@@H]1c1cccc(Cl)c1Cl)N1CCC(c2n[nH]c(=O)[nH]2)CC1 ZINC000550107491 567427789 /nfs/dbraw/zinc/42/77/89/567427789.db2.gz OTTKBHGXSLWSCN-VXGBXAGGSA-N 0 2 381.263 3.327 20 0 GGADLN Cc1nc(NC(=O)c2cc(F)c(O)c(F)c2)ccc1I ZINC000436490849 567428714 /nfs/dbraw/zinc/42/87/14/567428714.db2.gz ZBOCFOSKMAUPNG-UHFFFAOYSA-N 0 2 390.127 3.231 20 0 GGADLN COc1cc(Br)c(F)cc1S(=O)(=O)Nc1cc(C)cc(C)n1 ZINC000502392065 567430772 /nfs/dbraw/zinc/43/07/72/567430772.db2.gz 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NC(=O)CCNc1ccccc1NS(=O)(=O)c1cc(Cl)sc1Cl ZINC000462106003 567773441 /nfs/dbraw/zinc/77/34/41/567773441.db2.gz VQHIBJJLZINSLI-UHFFFAOYSA-N 0 2 394.305 3.143 20 0 GGADLN CO[C@H](CS(=O)(=O)Nc1ncc(Cc2ccc(F)c(F)c2)s1)C(C)C ZINC000647265388 567775267 /nfs/dbraw/zinc/77/52/67/567775267.db2.gz ADBRRESSDSITPH-OAHLLOKOSA-N 0 2 390.477 3.425 20 0 GGADLN CO[C@H](CS(=O)(=O)Nc1ncc(Cc2cc(F)cc(F)c2)s1)C(C)C ZINC000647265411 567775358 /nfs/dbraw/zinc/77/53/58/567775358.db2.gz CBDONSSCYYTFMA-OAHLLOKOSA-N 0 2 390.477 3.425 20 0 GGADLN CCCCCc1nnc(NS(=O)(=O)c2ncccc2C(F)(F)F)s1 ZINC000647267481 567775556 /nfs/dbraw/zinc/77/55/56/567775556.db2.gz HCXQNJUIQIWTJQ-UHFFFAOYSA-N 0 2 380.417 3.485 20 0 GGADLN O=C(Nc1ccc(OC(F)F)nc1)C(=O)Nc1cc(Cl)c(O)c(Cl)c1 ZINC000555273344 567777280 /nfs/dbraw/zinc/77/72/80/567777280.db2.gz WOYSYPAIONHYQO-UHFFFAOYSA-N 0 2 392.145 3.273 20 0 GGADLN COC(=O)c1cc(S(=O)(=O)Nc2ccc(C)c(OC(F)F)c2)c(C)o1 ZINC000533621936 567777668 /nfs/dbraw/zinc/77/76/68/567777668.db2.gz HDRGGGBHNQRTDD-UHFFFAOYSA-N 0 2 375.349 3.085 20 0 GGADLN COC(=O)c1cc(S(=O)(=O)Nc2ccc(-c3nccs3)cc2)c(C)o1 ZINC000533622025 567778147 /nfs/dbraw/zinc/77/81/47/567778147.db2.gz IEYMEPVYMFTQJL-UHFFFAOYSA-N 0 2 378.431 3.299 20 0 GGADLN O=S(=O)(Nc1nnc(Cc2cccc(F)c2)s1)c1cncc(Cl)c1 ZINC000533635801 567780152 /nfs/dbraw/zinc/78/01/52/567780152.db2.gz OWJXXBGOJFAVDV-UHFFFAOYSA-N 0 2 384.845 3.117 20 0 GGADLN O=S(=O)(Nc1nnc(C2CC2)s1)c1cc(F)c(Br)cc1F ZINC000574490393 567780845 /nfs/dbraw/zinc/78/08/45/567780845.db2.gz RFRJEZXJZNJESX-UHFFFAOYSA-N 0 2 396.238 3.257 20 0 GGADLN O=S(=O)(Nc1nnc(CC(F)(F)F)s1)c1cc(F)cc(Cl)c1 ZINC000533690818 567782194 /nfs/dbraw/zinc/78/21/94/567782194.db2.gz UNQCLWXIGVAQLI-UHFFFAOYSA-N 0 2 375.756 3.236 20 0 GGADLN COC(=O)c1ccc(S(=O)(=O)Nc2nc3ccc(C)cc3s2)c(F)c1 ZINC000555415685 567783347 /nfs/dbraw/zinc/78/33/47/567783347.db2.gz XZSHSTGKXPNMFM-UHFFFAOYSA-N 0 2 380.422 3.331 20 0 GGADLN C[C@H]1CC[N@H+](Cc2nc(Cc3cccc(Br)c3)no2)[C@@H](C(=O)[O-])C1 ZINC000574525676 567784486 /nfs/dbraw/zinc/78/44/86/567784486.db2.gz LLLWCVBOWRAHAI-SMDDNHRTSA-N 0 2 394.269 3.108 20 0 GGADLN C[C@H]1CC[N@@H+](Cc2nc(Cc3cccc(Br)c3)no2)[C@@H](C(=O)[O-])C1 ZINC000574525676 567784490 /nfs/dbraw/zinc/78/44/90/567784490.db2.gz LLLWCVBOWRAHAI-SMDDNHRTSA-N 0 2 394.269 3.108 20 0 GGADLN O=C(N=c1nc(-c2cccnc2)[nH]s1)c1cc(Br)ccc1F ZINC000533729800 567785273 /nfs/dbraw/zinc/78/52/73/567785273.db2.gz WLJCHZPLZURGCI-UHFFFAOYSA-N 0 2 379.214 3.176 20 0 GGADLN COC(=O)CCSc1ncccc1NS(=O)(=O)c1ccccc1SC ZINC000444047750 567786580 /nfs/dbraw/zinc/78/65/80/567786580.db2.gz ANIXVRFZZMZAFG-UHFFFAOYSA-N 0 2 398.531 3.260 20 0 GGADLN Cc1cc(Br)cc(S(=O)(=O)Nc2cnccc2-n2cccn2)c1 ZINC000444044006 567786774 /nfs/dbraw/zinc/78/67/74/567786774.db2.gz IJCPGZBDNHBTCZ-UHFFFAOYSA-N 0 2 393.266 3.139 20 0 GGADLN CC(=O)Nc1ncc(S(=O)(=O)Nc2ccc(C)c(C(F)(F)F)c2)s1 ZINC000555530554 567787117 /nfs/dbraw/zinc/78/71/17/567787117.db2.gz PJPADUVDMGOKHY-UHFFFAOYSA-N 0 2 379.385 3.230 20 0 GGADLN C[C@H](c1ccc(Br)cc1)[NH+]1CCN(c2ccc(C(=O)[O-])cn2)CC1 ZINC000647451271 567787417 /nfs/dbraw/zinc/78/74/17/567787417.db2.gz SIAMDRFMBZWMMH-CYBMUJFWSA-N 0 2 390.281 3.426 20 0 GGADLN CCOc1ncccc1NS(=O)(=O)c1cc(F)c(Br)cc1F ZINC000533787602 567787489 /nfs/dbraw/zinc/78/74/89/567787489.db2.gz NYUMESPNLFEOCW-UHFFFAOYSA-N 0 2 393.209 3.322 20 0 GGADLN CC(=O)Nc1cc(F)c(S(=O)(=O)NCC23CCC(CC2)C3)c(F)c1Cl ZINC000533800771 567787539 /nfs/dbraw/zinc/78/75/39/567787539.db2.gz UOVLZNIWYRPQOG-UHFFFAOYSA-N 0 2 392.855 3.435 20 0 GGADLN Cc1cc(-c2nnc(NS(=O)(=O)c3cnc4ccsc4c3)o2)c(C)o1 ZINC000444064589 567787741 /nfs/dbraw/zinc/78/77/41/567787741.db2.gz WTYOUKINHFVAHL-UHFFFAOYSA-N 0 2 376.419 3.357 20 0 GGADLN Cc1cc(Br)c(S(=O)(=O)Nc2nnc(-c3ccco3)o2)s1 ZINC000444064443 567787916 /nfs/dbraw/zinc/78/79/16/567787916.db2.gz KDOUURZKTBLLLK-UHFFFAOYSA-N 0 2 390.240 3.263 20 0 GGADLN O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)C12CCC(CC1)C2 ZINC000574647392 567790418 /nfs/dbraw/zinc/79/04/18/567790418.db2.gz YEBYKPWGFGGTSH-UHFFFAOYSA-N 0 2 377.491 3.463 20 0 GGADLN C[S@](=O)[C@@H]1CCC[C@@H](NC(=O)c2cc(Br)cc(Cl)c2O)C1 ZINC000598767156 567790647 /nfs/dbraw/zinc/79/06/47/567790647.db2.gz VKZDHVNPQZPOHY-QDXVKYEASA-N 0 2 394.718 3.228 20 0 GGADLN C[C@H]1CCN(Cc2cc(Br)c(O)c(Br)c2)[C@@H]1CO ZINC000668035600 567791303 /nfs/dbraw/zinc/79/13/03/567791303.db2.gz QFTFNIHFVOGVAH-QPUJVOFHSA-N 0 2 379.092 3.120 20 0 GGADLN COc1cc(C(=O)N=c2nc(-c3cccnc3)[nH]s2)sc1Br ZINC000534001652 567796261 /nfs/dbraw/zinc/79/62/61/567796261.db2.gz RMTGNBWNUCCLDE-UHFFFAOYSA-N 0 2 397.279 3.107 20 0 GGADLN Oc1c(Br)cc(CN2CCOCC23CC3)cc1Br ZINC000668112159 567796860 /nfs/dbraw/zinc/79/68/60/567796860.db2.gz HRONDFOEBRTUFI-UHFFFAOYSA-N 0 2 377.076 3.282 20 0 GGADLN CCc1cc(NS(=O)(=O)c2cc(Cl)ccc2Br)n(C)n1 ZINC000574804644 567798363 /nfs/dbraw/zinc/79/83/63/567798363.db2.gz OBNJGKVBCPDCED-UHFFFAOYSA-N 0 2 378.679 3.199 20 0 GGADLN Oc1c(Br)cc(CN2CCn3cncc3C2)cc1Br ZINC000668177678 567799067 /nfs/dbraw/zinc/79/90/67/567799067.db2.gz BSKQIOJNCNDUAC-UHFFFAOYSA-N 0 2 387.075 3.130 20 0 GGADLN O=C1COc2c(NS(=O)(=O)c3ccc(Cl)c(F)c3Cl)cccc2N1 ZINC000574850301 567800253 /nfs/dbraw/zinc/80/02/53/567800253.db2.gz IHZSWXBFQDEGPP-UHFFFAOYSA-N 0 2 391.207 3.264 20 0 GGADLN Oc1c(Br)cc(CN2CCC[C@H](O)CC2)cc1Br ZINC000668198372 567800356 /nfs/dbraw/zinc/80/03/56/567800356.db2.gz OGPLRKLEAPBSCA-JTQLQIEISA-N 0 2 379.092 3.264 20 0 GGADLN Oc1c(Br)cc(CN2CCC[C@@H](O)CC2)cc1Br ZINC000668198373 567800485 /nfs/dbraw/zinc/80/04/85/567800485.db2.gz OGPLRKLEAPBSCA-SNVBAGLBSA-N 0 2 379.092 3.264 20 0 GGADLN CCOC(=O)c1cccc(S(=O)(=O)Nc2cc(CSCC)ccn2)c1 ZINC000534172287 567802448 /nfs/dbraw/zinc/80/24/48/567802448.db2.gz NERJFKYFJIVKMZ-UHFFFAOYSA-N 0 2 380.491 3.312 20 0 GGADLN COC(=O)c1sccc1S(=O)(=O)Nc1cn(CC(C)C)nc1C(F)F ZINC000534168701 567802488 /nfs/dbraw/zinc/80/24/88/567802488.db2.gz LODBFSFWSVSXFM-UHFFFAOYSA-N 0 2 393.437 3.126 20 0 GGADLN C[C@@H]1C[C@H](CO)C[N@H+](Cc2cc(Br)c([O-])c(Br)c2)C1 ZINC000668243869 567803033 /nfs/dbraw/zinc/80/30/33/567803033.db2.gz KZOCUSKQDMHWMP-KOLCDFICSA-N 0 2 393.119 3.368 20 0 GGADLN C[C@@H]1C[C@H](CO)C[N@@H+](Cc2cc(Br)c([O-])c(Br)c2)C1 ZINC000668243869 567803038 /nfs/dbraw/zinc/80/30/38/567803038.db2.gz KZOCUSKQDMHWMP-KOLCDFICSA-N 0 2 393.119 3.368 20 0 GGADLN CCOC(C)(C)CNC(=O)c1ccc(NS(=O)(=O)c2cccs2)cc1 ZINC000444386915 567804588 /nfs/dbraw/zinc/80/45/88/567804588.db2.gz WALWDYFBWNDIHS-UHFFFAOYSA-N 0 2 382.507 3.094 20 0 GGADLN COc1cc(NS(=O)(=O)c2cc(F)c(F)c(F)c2)ncc1Br ZINC000534241118 567804550 /nfs/dbraw/zinc/80/45/50/567804550.db2.gz WLIGJMPXLDZEJO-UHFFFAOYSA-N 0 2 397.172 3.071 20 0 GGADLN O=C(Nc1cc(CSCCO)ccn1)c1cccc(Br)c1O ZINC000534278750 567805687 /nfs/dbraw/zinc/80/56/87/567805687.db2.gz VRFNIDJGNFHYQQ-UHFFFAOYSA-N 0 2 383.267 3.028 20 0 GGADLN Cc1noc(CN(C)Cc2cc(Br)c(O)c(Br)c2)n1 ZINC000668298930 567805806 /nfs/dbraw/zinc/80/58/06/567805806.db2.gz OEJLHQPNRWERRB-UHFFFAOYSA-N 0 2 391.063 3.241 20 0 GGADLN COCCc1ccc(S(=O)(=O)Nc2cc(-c3ccc(C)s3)[nH]n2)cc1 ZINC000444431010 567805893 /nfs/dbraw/zinc/80/58/93/567805893.db2.gz OKRBWMPDJRJXFV-UHFFFAOYSA-N 0 2 377.491 3.436 20 0 GGADLN C[C@@H]1CC[C@H](NC(=O)c2ccc(NS(=O)(=O)c3cccs3)cc2O)C1 ZINC000444461881 567805951 /nfs/dbraw/zinc/80/59/51/567805951.db2.gz BNWXADOTTVXBFF-NEPJUHHUSA-N 0 2 380.491 3.173 20 0 GGADLN O=S(=O)(Nc1noc(-c2ccc(Cl)cc2)n1)c1cccc(Cl)c1F ZINC000647907049 567806769 /nfs/dbraw/zinc/80/67/69/567806769.db2.gz JBXPZZKIRIUQCG-UHFFFAOYSA-N 0 2 388.207 3.405 20 0 GGADLN CSCc1cccc(NS(=O)(=O)c2cnc3c(Cl)c(C)nn3c2)c1 ZINC000534296450 567806892 /nfs/dbraw/zinc/80/68/92/567806892.db2.gz ZZBCCADJPBYCNW-UHFFFAOYSA-N 0 2 382.898 3.355 20 0 GGADLN COc1cc(Cl)c(C)cc1NS(=O)(=O)c1cccnc1OCC(F)F ZINC000647920534 567806918 /nfs/dbraw/zinc/80/69/18/567806918.db2.gz HNLWWWHJRMIRKZ-UHFFFAOYSA-N 0 2 392.811 3.497 20 0 GGADLN O=C([O-])[C@H]1C[N@H+](Cc2c(-c3ccc(Cl)cc3)nc3sccn23)CCO1 ZINC000575009249 567808298 /nfs/dbraw/zinc/80/82/98/567808298.db2.gz NANBWYDOEATZKG-CQSZACIVSA-N 0 2 377.853 3.002 20 0 GGADLN O=C([O-])[C@H]1C[N@@H+](Cc2c(-c3ccc(Cl)cc3)nc3sccn23)CCO1 ZINC000575009249 567808300 /nfs/dbraw/zinc/80/83/00/567808300.db2.gz NANBWYDOEATZKG-CQSZACIVSA-N 0 2 377.853 3.002 20 0 GGADLN C[C@@H](OCC1CC1)C(=O)Nc1nc(-c2ccc(Br)cc2F)n[nH]1 ZINC000599268878 567811580 /nfs/dbraw/zinc/81/15/80/567811580.db2.gz JAASGCDEIZUVJB-MRVPVSSYSA-N 0 2 383.221 3.127 20 0 GGADLN CCOC1CC(C(=O)N=c2ccc(-c3ccc(Br)s3)n[nH]2)C1 ZINC000575090265 567812464 /nfs/dbraw/zinc/81/24/64/567812464.db2.gz SSRYUSLCVHRECA-UHFFFAOYSA-N 0 2 382.283 3.143 20 0 GGADLN Cc1nnc(CN(C)Cc2cc(Br)c(O)c(Br)c2)o1 ZINC000668519857 567812593 /nfs/dbraw/zinc/81/25/93/567812593.db2.gz DYRHHOBYPLLGQS-UHFFFAOYSA-N 0 2 391.063 3.241 20 0 GGADLN CCNc1ccc(C(=O)OCC)cc1NS(=O)(=O)c1cncc(Cl)c1 ZINC000534597987 567815160 /nfs/dbraw/zinc/81/51/60/567815160.db2.gz FVBGYXJOHINIER-UHFFFAOYSA-N 0 2 383.857 3.144 20 0 GGADLN Cn1nc2cc(Br)ccc2c1C(=O)N=c1nc(C(C)(C)C)[nH]s1 ZINC000648271435 567816278 /nfs/dbraw/zinc/81/62/78/567816278.db2.gz DNPMTVAIRLBEQC-UHFFFAOYSA-N 0 2 394.298 3.159 20 0 GGADLN C[C@H]1CCCN(C(=O)c2ccc3c(c2)[nH]c(=S)n(Cc2ccco2)c3=O)C1 ZINC000014064313 570284250 /nfs/dbraw/zinc/28/42/50/570284250.db2.gz RZQFGABRORCKEQ-ZDUSSCGKSA-N 0 2 383.473 3.199 20 0 GGADLN COc1ccc(S(=O)(=O)Nc2nc3c(cccc3C)s2)cc1NC(C)=O ZINC000006581564 570483665 /nfs/dbraw/zinc/48/36/65/570483665.db2.gz SBJDGBAHVRMLRJ-UHFFFAOYSA-N 0 2 391.474 3.373 20 0 GGADLN CC(C)CCOc1ccc(S(=O)(=O)Nc2cncc(N3CCCC3)n2)cc1 ZINC000225694477 570604597 /nfs/dbraw/zinc/60/45/97/570604597.db2.gz MJFZAXKVSSMMOQ-UHFFFAOYSA-N 0 2 390.509 3.303 20 0 GGADLN O=C(OCc1nc(-c2ccccc2)no1)C1=NN(c2ccc(F)cc2)CC1=O ZINC000170616581 570874133 /nfs/dbraw/zinc/87/41/33/570874133.db2.gz GRSCIZYXLLVLOL-UHFFFAOYSA-N 0 2 380.335 3.124 20 0 GGADLN CCOc1ccc(NC(=O)c2ccc3c(c2)[nH]c(=S)n(CC)c3=O)cc1F ZINC000103469671 570885354 /nfs/dbraw/zinc/88/53/54/570885354.db2.gz IAARHKQZHHLKIL-UHFFFAOYSA-N 0 2 387.436 3.495 20 0 GGADLN CC[C@H](OC(=O)CCc1c(C)[nH]c(=O)c(-c2nn[nH]n2)c1C)c1ccccc1 ZINC000736382178 598842357 /nfs/dbraw/zinc/84/23/57/598842357.db2.gz LTZQEVPGDMAXSO-INIZCTEOSA-N 0 2 381.436 3.211 20 0 GGADLN Cc1cccc([C@H](C)NC(=O)CCc2c(C)[nH]c(=O)c(-c3nn[nH]n3)c2C)c1C ZINC000737391245 599018814 /nfs/dbraw/zinc/01/88/14/599018814.db2.gz YSWVVTAMWWHEEL-AWEZNQCLSA-N 0 2 394.479 3.011 20 0 GGADLN C[C@@H]1C[NH+](Cc2ccccc2NC(=O)NC(C)(C)CCC(=O)[O-])C[C@@H](C)O1 ZINC000818113597 597013887 /nfs/dbraw/zinc/01/38/87/597013887.db2.gz QJPREVAQSJESRG-HUUCEWRRSA-N 0 2 377.485 3.061 20 0 GGADLN Cc1nn(C[N@@H+]2CCC[C@H](CC(=O)[O-])C2)c(=S)n1CCc1cccs1 ZINC000819030102 597045242 /nfs/dbraw/zinc/04/52/42/597045242.db2.gz XRLIIZNIOLUSOO-CQSZACIVSA-N 0 2 380.539 3.171 20 0 GGADLN Cc1nn(C[N@H+]2CCC[C@H](CC(=O)[O-])C2)c(=S)n1CCc1cccs1 ZINC000819030102 597045247 /nfs/dbraw/zinc/04/52/47/597045247.db2.gz XRLIIZNIOLUSOO-CQSZACIVSA-N 0 2 380.539 3.171 20 0 GGADLN O=C([O-])C[C@H]1CCC[N@H+](Cn2nc(C3CC3)n(Cc3ccccc3)c2=S)C1 ZINC000819385192 597048077 /nfs/dbraw/zinc/04/80/77/597048077.db2.gz BNLQNRWEIKIXIP-MRXNPFEDSA-N 0 2 386.521 3.484 20 0 GGADLN O=C([O-])C[C@H]1CCC[N@@H+](Cn2nc(C3CC3)n(Cc3ccccc3)c2=S)C1 ZINC000819385192 597048082 /nfs/dbraw/zinc/04/80/82/597048082.db2.gz BNLQNRWEIKIXIP-MRXNPFEDSA-N 0 2 386.521 3.484 20 0 GGADLN Cn1cc[nH+]c1C[C@H](NC(=O)Nc1cccc(CC(=O)[O-])c1)c1ccccc1 ZINC000819077966 597197317 /nfs/dbraw/zinc/19/73/17/597197317.db2.gz AQTQNBBKMMLGJL-SFHVURJKSA-N 0 2 378.432 3.153 20 0 GGADLN O=C([O-])c1ccc(CNC(=O)N[C@H]2c3ccccc3CC[C@@H]2n2cc[nH+]c2)cc1 ZINC000819188268 597265241 /nfs/dbraw/zinc/26/52/41/597265241.db2.gz JLRFWYWMIVSLLM-PMACEKPBSA-N 0 2 390.443 3.309 20 0 GGADLN CCOc1ccccc1Nc1nn(C[N@@H+]2CC[C@H](C(=O)[O-])C2)c(=S)s1 ZINC000818251135 597538811 /nfs/dbraw/zinc/53/88/11/597538811.db2.gz HOMNDQFRIAHLFF-NSHDSACASA-N 0 2 380.495 3.180 20 0 GGADLN CCOc1ccccc1Nc1nn(C[N@H+]2CC[C@H](C(=O)[O-])C2)c(=S)s1 ZINC000818251135 597538812 /nfs/dbraw/zinc/53/88/12/597538812.db2.gz HOMNDQFRIAHLFF-NSHDSACASA-N 0 2 380.495 3.180 20 0 GGADLN O=C([O-])C1CCC(NC(=O)Nc2cccc3c2CN(c2cccc[nH+]2)C3)CC1 ZINC000262984242 598147449 /nfs/dbraw/zinc/14/74/49/598147449.db2.gz CKHKONOHRQYVTC-UHFFFAOYSA-N 0 2 380.448 3.367 20 0 GGADLN Cc1ccccc1N(C(=O)CCc1c(C)[nH]c(=O)c(-c2nn[nH]n2)c1C)C(C)C ZINC000737428921 598298137 /nfs/dbraw/zinc/29/81/37/598298137.db2.gz XWQCOMRAVTXDRP-UHFFFAOYSA-N 0 2 394.479 3.267 20 0 GGADLN CCc1nn(CCCc2cccc3ccccc32)c(=O)c(-c2nn[nH]n2)c1CC ZINC000736705591 599369697 /nfs/dbraw/zinc/36/96/97/599369697.db2.gz LBZMQHLHQLLVSS-UHFFFAOYSA-N 0 2 388.475 3.334 20 0 GGADLN COc1cc(C[N@H+](C)CC(=O)Nc2cc(C(=O)[O-])ccc2C)ccc1SC ZINC000737880865 599714756 /nfs/dbraw/zinc/71/47/56/599714756.db2.gz IXGGJGKCIQZLDC-UHFFFAOYSA-N 0 2 388.489 3.494 20 0 GGADLN COc1cc(C[N@@H+](C)CC(=O)Nc2cc(C(=O)[O-])ccc2C)ccc1SC ZINC000737880865 599714757 /nfs/dbraw/zinc/71/47/57/599714757.db2.gz IXGGJGKCIQZLDC-UHFFFAOYSA-N 0 2 388.489 3.494 20 0 GGADLN O=C([O-])Nc1cc(NC(=O)N2CC[NH+](Cc3ccsc3)CC2)ccc1F ZINC000740006147 599717282 /nfs/dbraw/zinc/71/72/82/599717282.db2.gz RHJIITXQGLSCEO-UHFFFAOYSA-N 0 2 378.429 3.327 20 0 GGADLN Cc1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)[N@H+](C)C[C@@H]1OCCc2ccccc21 ZINC000738518366 599719392 /nfs/dbraw/zinc/71/93/92/599719392.db2.gz KDWWFMXNCFJWIT-QRWLVFNGSA-N 0 2 382.460 3.266 20 0 GGADLN Cc1ccc(C(=O)[O-])cc1NC(=O)[C@@H](C)[N@@H+](C)C[C@@H]1OCCc2ccccc21 ZINC000738518366 599719394 /nfs/dbraw/zinc/71/93/94/599719394.db2.gz KDWWFMXNCFJWIT-QRWLVFNGSA-N 0 2 382.460 3.266 20 0 GGADLN Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)[N@H+](C)C[C@@H]1OCCc2ccccc21 ZINC000738518367 599719438 /nfs/dbraw/zinc/71/94/38/599719438.db2.gz KDWWFMXNCFJWIT-YWZLYKJASA-N 0 2 382.460 3.266 20 0 GGADLN Cc1ccc(C(=O)[O-])cc1NC(=O)[C@H](C)[N@@H+](C)C[C@@H]1OCCc2ccccc21 ZINC000738518367 599719440 /nfs/dbraw/zinc/71/94/40/599719440.db2.gz KDWWFMXNCFJWIT-YWZLYKJASA-N 0 2 382.460 3.266 20 0 GGADLN Cc1ccc(NC(=O)C[NH2+][C@H](C(=O)[O-])c2ccccc2)c(Br)c1 ZINC000321086737 599758136 /nfs/dbraw/zinc/75/81/36/599758136.db2.gz CPFMWIMHIQWJSO-INIZCTEOSA-N 0 2 377.238 3.112 20 0 GGADLN COc1ccc2cc(CN(C)C(=O)C[NH2+][C@H](C(=O)[O-])c3ccccc3)ccc2c1 ZINC000738079704 599759985 /nfs/dbraw/zinc/75/99/85/599759985.db2.gz QFCXDDQLCLBNIT-QFIPXVFZSA-N 0 2 392.455 3.222 20 0 GGADLN Cc1nn(C[N@@H+](C[C@H](C)C(=O)[O-])C2CC2)c(=S)n1CCc1cccs1 ZINC000738922009 599768396 /nfs/dbraw/zinc/76/83/96/599768396.db2.gz BQSBTNQMFSFEDG-LBPRGKRZSA-N 0 2 380.539 3.169 20 0 GGADLN Cc1nn(C[N@H+](C[C@H](C)C(=O)[O-])C2CC2)c(=S)n1CCc1cccs1 ZINC000738922009 599768398 /nfs/dbraw/zinc/76/83/98/599768398.db2.gz BQSBTNQMFSFEDG-LBPRGKRZSA-N 0 2 380.539 3.169 20 0 GGADLN CCOc1ccc([C@@H]2CCCN2C(=O)C[NH2+][C@@H](C(=O)[O-])c2ccccc2)cc1 ZINC000737195519 599781491 /nfs/dbraw/zinc/78/14/91/599781491.db2.gz RUWCCMDZWRIFNT-PZJWPPBQSA-N 0 2 382.460 3.164 20 0 GGADLN O=C([O-])[C@@H]([NH2+]CC(=O)N[C@H](c1cccs1)c1ccccc1)c1ccccc1 ZINC000739306105 599785033 /nfs/dbraw/zinc/78/50/33/599785033.db2.gz FALTVNWIGUPXKR-PMACEKPBSA-N 0 2 380.469 3.369 20 0 GGADLN O=C([O-])[C@H]([NH2+]CC(=O)N[C@@H](c1cccs1)c1ccccc1)c1ccccc1 ZINC000739306113 599785077 /nfs/dbraw/zinc/78/50/77/599785077.db2.gz FALTVNWIGUPXKR-WOJBJXKFSA-N 0 2 380.469 3.369 20 0 GGADLN C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)[NH+]1Cc2ccccc2-c2ccccc2C1 ZINC000736205631 599786133 /nfs/dbraw/zinc/78/61/33/599786133.db2.gz QNCMZMMSIFYTKS-MRXNPFEDSA-N 0 2 378.472 3.381 20 0 GGADLN O=C([O-])c1ccc(OC[C@H](O)C[N@@H+]2CCc3c(ccc(Cl)c3Cl)C2)cc1 ZINC000740160920 599786794 /nfs/dbraw/zinc/78/67/94/599786794.db2.gz NDTBWLLWAKBLEI-CQSZACIVSA-N 0 2 396.270 3.490 20 0 GGADLN O=C([O-])c1ccc(OC[C@H](O)C[N@H+]2CCc3c(ccc(Cl)c3Cl)C2)cc1 ZINC000740160920 599786796 /nfs/dbraw/zinc/78/67/96/599786796.db2.gz NDTBWLLWAKBLEI-CQSZACIVSA-N 0 2 396.270 3.490 20 0 GGADLN C[C@@H]1CCCC[C@H]1N(C)C(=O)C[NH2+][C@@H](C(=O)[O-])c1ccc(Br)cc1 ZINC000736787351 599787911 /nfs/dbraw/zinc/78/79/11/599787911.db2.gz ZJISUHCGISRHIF-SRCQZFHVSA-N 0 2 397.313 3.202 20 0 GGADLN C[C@@H](NC(=O)C[NH2+][C@@H](C(=O)[O-])c1ccc(Br)cc1)c1cccs1 ZINC000736639551 599790195 /nfs/dbraw/zinc/79/01/95/599790195.db2.gz VIHMUADNKKTYAC-MEBBXXQBSA-N 0 2 397.294 3.103 20 0 GGADLN O=C([O-])[C@H]([NH2+]CC(=O)Nc1ccc(F)cc1F)c1ccc(Br)cc1 ZINC000739305922 599790563 /nfs/dbraw/zinc/79/05/63/599790563.db2.gz ASLNXFAJPDOPEH-OAHLLOKOSA-N 0 2 399.191 3.081 20 0 GGADLN Cc1ccc(NC(=O)C[NH2+][C@@H](C(=O)[O-])c2ccc(Br)cc2)cc1C ZINC000738621291 599790705 /nfs/dbraw/zinc/79/07/05/599790705.db2.gz BAZJOSGNSIJBKY-QGZVFWFLSA-N 0 2 391.265 3.420 20 0 GGADLN Cc1cc(C)cc(NC(=O)C[NH2+][C@@H](C(=O)[O-])c2ccc(Br)cc2)c1 ZINC000738365323 599790725 /nfs/dbraw/zinc/79/07/25/599790725.db2.gz ZIMCDYRXEJQBTE-QGZVFWFLSA-N 0 2 391.265 3.420 20 0 GGADLN Cc1ccc(NC(=O)C[NH2+][C@@H](C(=O)[O-])c2ccc(Br)cc2)cc1 ZINC000738621722 599790788 /nfs/dbraw/zinc/79/07/88/599790788.db2.gz JIJORVPKDSTYGH-MRXNPFEDSA-N 0 2 377.238 3.112 20 0 GGADLN O=C([O-])[C@@H]([NH2+]CC(=O)Nc1ccc(Cl)cc1)c1ccc(Br)cc1 ZINC000739308697 599791233 /nfs/dbraw/zinc/79/12/33/599791233.db2.gz VASISZHPWCTTKX-HNNXBMFYSA-N 0 2 397.656 3.457 20 0 GGADLN CCN(Cc1ccccc1)C(=O)C[NH2+][C@@H](C(=O)[O-])c1ccccc1C(F)(F)F ZINC000737104717 599791683 /nfs/dbraw/zinc/79/16/83/599791683.db2.gz XNFPEGRORLZQDE-GOSISDBHSA-N 0 2 394.393 3.469 20 0 GGADLN O=C([O-])[C@@H]([NH2+]CC(=O)N1CCc2ccccc2C1)c1ccccc1C(F)(F)F ZINC000739506470 599792583 /nfs/dbraw/zinc/79/25/83/599792583.db2.gz GJEZTAGVUHBERB-SFHVURJKSA-N 0 2 392.377 3.006 20 0 GGADLN O=C([O-])c1coc(CSc2nnc(C[NH+]3CCCC3)n2-c2ccccc2)c1 ZINC000740268661 599802335 /nfs/dbraw/zinc/80/23/35/599802335.db2.gz CPGNJKDAYHMDEI-UHFFFAOYSA-N 0 2 384.461 3.447 20 0 GGADLN CC(C)C[C@@H](NC(=O)C[N@@H+]1CCC[C@H]1c1ccccc1C(F)(F)F)C(=O)[O-] ZINC000736411727 599818100 /nfs/dbraw/zinc/81/81/00/599818100.db2.gz IQWRLBXPVDTTKS-CVEARBPZSA-N 0 2 386.414 3.458 20 0 GGADLN CC(C)C[C@@H](NC(=O)C[N@H+]1CCC[C@H]1c1ccccc1C(F)(F)F)C(=O)[O-] ZINC000736411727 599818102 /nfs/dbraw/zinc/81/81/02/599818102.db2.gz IQWRLBXPVDTTKS-CVEARBPZSA-N 0 2 386.414 3.458 20 0 GGADLN CC[C@H](C)[C@@H](NC(=O)C[N@@H+]1CCC[C@@H]1c1ccccc1C(F)(F)F)C(=O)[O-] ZINC000736877706 599818653 /nfs/dbraw/zinc/81/86/53/599818653.db2.gz KMQPVJDNHNIQTM-XGWLTEMNSA-N 0 2 386.414 3.458 20 0 GGADLN CC[C@H](C)[C@@H](NC(=O)C[N@H+]1CCC[C@@H]1c1ccccc1C(F)(F)F)C(=O)[O-] ZINC000736877706 599818655 /nfs/dbraw/zinc/81/86/55/599818655.db2.gz KMQPVJDNHNIQTM-XGWLTEMNSA-N 0 2 386.414 3.458 20 0 GGADLN CC[C@H](C)[C@H](NC(=O)C[N@@H+]1CCC[C@H]1c1ccccc1C(F)(F)F)C(=O)[O-] ZINC000736877703 599818837 /nfs/dbraw/zinc/81/88/37/599818837.db2.gz KMQPVJDNHNIQTM-NUTKFTJISA-N 0 2 386.414 3.458 20 0 GGADLN CC[C@H](C)[C@H](NC(=O)C[N@H+]1CCC[C@H]1c1ccccc1C(F)(F)F)C(=O)[O-] ZINC000736877703 599818838 /nfs/dbraw/zinc/81/88/38/599818838.db2.gz KMQPVJDNHNIQTM-NUTKFTJISA-N 0 2 386.414 3.458 20 0 GGADLN COc1ccccc1C[NH+]1CCN(C(=O)Nc2ccc(N(C)C(=O)[O-])cc2)CC1 ZINC000738131201 599819720 /nfs/dbraw/zinc/81/97/20/599819720.db2.gz XUSIFDNURIIDQP-UHFFFAOYSA-N 0 2 398.463 3.159 20 0 GGADLN O=C([O-])c1ccc(N2CCCC2)c(NC(=O)N2CCC(n3cc[nH+]c3)CC2)c1 ZINC000740145234 599837779 /nfs/dbraw/zinc/83/77/79/599837779.db2.gz PNVBXZBRTKDWRY-UHFFFAOYSA-N 0 2 383.452 3.051 20 0 GGADLN COc1ccc([C@@H]([NH2+]CC(=O)N[C@@H](c2cccs2)C(C)(C)C)C(=O)[O-])cc1 ZINC000737970030 599858048 /nfs/dbraw/zinc/85/80/48/599858048.db2.gz HUYJDBUVTUHNAS-MSOLQXFVSA-N 0 2 390.505 3.376 20 0 GGADLN COc1ccc([C@@H]([NH2+]CC(=O)Nc2c(C)cc(C)cc2Cl)C(=O)[O-])cc1 ZINC000737974315 599858422 /nfs/dbraw/zinc/85/84/22/599858422.db2.gz UQONGIPSUZMMEQ-GOSISDBHSA-N 0 2 376.840 3.319 20 0 GGADLN COc1ccc([C@H]([NH2+]CC(=O)Nc2c(C)cc(C)cc2Cl)C(=O)[O-])cc1 ZINC000737974318 599858457 /nfs/dbraw/zinc/85/84/57/599858457.db2.gz UQONGIPSUZMMEQ-SFHVURJKSA-N 0 2 376.840 3.319 20 0 GGADLN COc1ccc([C@H]([NH2+]CC(=O)N[C@@H](c2ccc(F)cc2)C(C)C)C(=O)[O-])cc1 ZINC000737972956 599859405 /nfs/dbraw/zinc/85/94/05/599859405.db2.gz PIRJHVOZGDKHTP-UXHICEINSA-N 0 2 388.439 3.063 20 0 GGADLN COc1ccc([C@@H]([NH2+]CC(=O)N[C@H](c2ccc(F)cc2)C(C)C)C(=O)[O-])cc1 ZINC000737972959 599859617 /nfs/dbraw/zinc/85/96/17/599859617.db2.gz PIRJHVOZGDKHTP-VQTJNVASSA-N 0 2 388.439 3.063 20 0 GGADLN COc1ccc([C@@H]([NH2+]CC(=O)N[C@H](c2ccccc2)C2CCCC2)C(=O)[O-])cc1 ZINC000737970475 599860194 /nfs/dbraw/zinc/86/01/94/599860194.db2.gz JJMBOCRUPRLEPE-FGZHOGPDSA-N 0 2 396.487 3.458 20 0 GGADLN COc1ccc([C@@H]([NH2+]CC(=O)Nc2cc(C)c(Cl)cc2OC)C(=O)[O-])cc1 ZINC000737969360 599860332 /nfs/dbraw/zinc/86/03/32/599860332.db2.gz GCFIQPZZISXWMY-GOSISDBHSA-N 0 2 392.839 3.020 20 0 GGADLN COc1ccc([C@H]([NH2+]CC(=O)Nc2ccc(C(F)(F)F)cc2)C(=O)[O-])cc1 ZINC000737970015 599862796 /nfs/dbraw/zinc/86/27/96/599862796.db2.gz HOBXJBSNBNMRBD-INIZCTEOSA-N 0 2 382.338 3.068 20 0 GGADLN COc1ccc([C@H]([NH2+]CC(=O)Nc2cccc(Cl)c2Cl)C(=O)[O-])cc1 ZINC000737974890 599863279 /nfs/dbraw/zinc/86/32/79/599863279.db2.gz XLNOGKKYOUYWTF-INIZCTEOSA-N 0 2 383.231 3.356 20 0 GGADLN COc1ccc([C@@H]([NH2+]CC(=O)N[C@@H](C)c2ccc3ccccc3c2)C(=O)[O-])cc1 ZINC000737975667 599863396 /nfs/dbraw/zinc/86/33/96/599863396.db2.gz ZQXBIFZBQWLVLG-OYHNWAKOSA-N 0 2 392.455 3.441 20 0 GGADLN COc1ccc([C@H]([NH2+]CC(=O)Nc2ccccc2SC(F)F)C(=O)[O-])cc1 ZINC000737973498 599863412 /nfs/dbraw/zinc/86/34/12/599863412.db2.gz QJINRKNGHJZAII-INIZCTEOSA-N 0 2 396.415 3.364 20 0 GGADLN C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)Nc1cccc(C(=O)[O-])c1 ZINC000736587086 599880209 /nfs/dbraw/zinc/88/02/09/599880209.db2.gz VCCVNZGFTJKKFI-QGZVFWFLSA-N 0 2 397.475 3.140 20 0 GGADLN COc1ccc(-c2nc(C[N@@H+](Cc3ccccc3)C[C@@H](C)C(=O)[O-])no2)cc1 ZINC000579842212 599887580 /nfs/dbraw/zinc/88/75/80/599887580.db2.gz BUPWOYXECXFORP-OAHLLOKOSA-N 0 2 381.432 3.468 20 0 GGADLN COc1ccc(-c2nc(C[N@H+](Cc3ccccc3)C[C@@H](C)C(=O)[O-])no2)cc1 ZINC000579842212 599887582 /nfs/dbraw/zinc/88/75/82/599887582.db2.gz BUPWOYXECXFORP-OAHLLOKOSA-N 0 2 381.432 3.468 20 0 GGADLN COc1ccc(-c2nc(C[N@@H+](Cc3ccccc3)C[C@H](C)C(=O)[O-])no2)cc1 ZINC000579842210 599887849 /nfs/dbraw/zinc/88/78/49/599887849.db2.gz BUPWOYXECXFORP-HNNXBMFYSA-N 0 2 381.432 3.468 20 0 GGADLN COc1ccc(-c2nc(C[N@H+](Cc3ccccc3)C[C@H](C)C(=O)[O-])no2)cc1 ZINC000579842210 599887853 /nfs/dbraw/zinc/88/78/53/599887853.db2.gz BUPWOYXECXFORP-HNNXBMFYSA-N 0 2 381.432 3.468 20 0 GGADLN Cc1sc(NC(=O)C[N@@H+]2CCCO[C@@H](c3ccccc3)C2)c(C(=O)[O-])c1C ZINC000738397237 599894326 /nfs/dbraw/zinc/89/43/26/599894326.db2.gz DHXKJKJKEDNOJU-MRXNPFEDSA-N 0 2 388.489 3.465 20 0 GGADLN Cc1sc(NC(=O)C[N@H+]2CCCO[C@@H](c3ccccc3)C2)c(C(=O)[O-])c1C ZINC000738397237 599894328 /nfs/dbraw/zinc/89/43/28/599894328.db2.gz DHXKJKJKEDNOJU-MRXNPFEDSA-N 0 2 388.489 3.465 20 0 GGADLN CC(C)[C@H](NC(=O)[O-])C(=O)NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1 ZINC000736369118 599914184 /nfs/dbraw/zinc/91/41/84/599914184.db2.gz QJGFMBOZDLJBTG-ZBFHGGJFSA-N 0 2 385.867 3.024 20 0 GGADLN COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])[N@H+](Cc1noc3c1CCCC3)CC2 ZINC000652453456 599923410 /nfs/dbraw/zinc/92/34/10/599923410.db2.gz LSLISVORSRFBSG-QGZVFWFLSA-N 0 2 386.448 3.145 20 0 GGADLN COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])[N@@H+](Cc1noc3c1CCCC3)CC2 ZINC000652453456 599923412 /nfs/dbraw/zinc/92/34/12/599923412.db2.gz LSLISVORSRFBSG-QGZVFWFLSA-N 0 2 386.448 3.145 20 0 GGADLN COc1cc2c(cc1OC)[C@H](CC(=O)[O-])[N@H+](Cc1noc3c1CCCC3)CC2 ZINC000652453455 599923627 /nfs/dbraw/zinc/92/36/27/599923627.db2.gz LSLISVORSRFBSG-KRWDZBQOSA-N 0 2 386.448 3.145 20 0 GGADLN COc1cc2c(cc1OC)[C@H](CC(=O)[O-])[N@@H+](Cc1noc3c1CCCC3)CC2 ZINC000652453455 599923629 /nfs/dbraw/zinc/92/36/29/599923629.db2.gz LSLISVORSRFBSG-KRWDZBQOSA-N 0 2 386.448 3.145 20 0 GGADLN CCOc1ccc(C[NH+]2CCN(C(=O)c3cccc(NC(=O)[O-])c3)CC2)cc1 ZINC000737205338 599929279 /nfs/dbraw/zinc/92/92/79/599929279.db2.gz KBNOMSBBADPYPR-UHFFFAOYSA-N 0 2 383.448 3.133 20 0 GGADLN C[C@H](C[N@H+](Cn1nc(N2CCC(C)CC2)n(C2CC2)c1=S)C1CC1)C(=O)[O-] ZINC000736803538 599933925 /nfs/dbraw/zinc/93/39/25/599933925.db2.gz XMNZMEAISYOFRR-CQSZACIVSA-N 0 2 393.557 3.128 20 0 GGADLN C[C@H](C[N@@H+](Cn1nc(N2CCC(C)CC2)n(C2CC2)c1=S)C1CC1)C(=O)[O-] ZINC000736803538 599933927 /nfs/dbraw/zinc/93/39/27/599933927.db2.gz XMNZMEAISYOFRR-CQSZACIVSA-N 0 2 393.557 3.128 20 0 GGADLN C[C@H](C[N@H+](Cn1nc(C2CC2)n(Cc2ccccc2)c1=S)C1CC1)C(=O)[O-] ZINC000736581591 599934979 /nfs/dbraw/zinc/93/49/79/599934979.db2.gz JZSYNLFTQXAZFG-CQSZACIVSA-N 0 2 386.521 3.482 20 0 GGADLN C[C@H](C[N@@H+](Cn1nc(C2CC2)n(Cc2ccccc2)c1=S)C1CC1)C(=O)[O-] ZINC000736581591 599934980 /nfs/dbraw/zinc/93/49/80/599934980.db2.gz JZSYNLFTQXAZFG-CQSZACIVSA-N 0 2 386.521 3.482 20 0 GGADLN C[C@@H](C[N@H+](Cn1nc(-c2ccc(Cl)cc2)n(C)c1=S)C1CC1)C(=O)[O-] ZINC000736584349 599935140 /nfs/dbraw/zinc/93/51/40/599935140.db2.gz WGYFSGRJATXDQC-NSHDSACASA-N 0 2 380.901 3.414 20 0 GGADLN C[C@@H](C[N@@H+](Cn1nc(-c2ccc(Cl)cc2)n(C)c1=S)C1CC1)C(=O)[O-] ZINC000736584349 599935142 /nfs/dbraw/zinc/93/51/42/599935142.db2.gz WGYFSGRJATXDQC-NSHDSACASA-N 0 2 380.901 3.414 20 0 GGADLN C[C@@H](C[N@H+](Cn1nc(C2CC2)n(Cc2ccccc2)c1=S)C1CC1)C(=O)[O-] ZINC000736581590 599935340 /nfs/dbraw/zinc/93/53/40/599935340.db2.gz JZSYNLFTQXAZFG-AWEZNQCLSA-N 0 2 386.521 3.482 20 0 GGADLN C[C@@H](C[N@@H+](Cn1nc(C2CC2)n(Cc2ccccc2)c1=S)C1CC1)C(=O)[O-] ZINC000736581590 599935341 /nfs/dbraw/zinc/93/53/41/599935341.db2.gz JZSYNLFTQXAZFG-AWEZNQCLSA-N 0 2 386.521 3.482 20 0 GGADLN COc1ccc(-c2nn(C[N@H+](C[C@H](C)C(=O)[O-])C3CC3)c(=S)o2)cc1OC ZINC000737911268 599935585 /nfs/dbraw/zinc/93/55/85/599935585.db2.gz FLYUXRHRMUWZCJ-NSHDSACASA-N 0 2 393.465 3.032 20 0 GGADLN COc1ccc(-c2nn(C[N@@H+](C[C@H](C)C(=O)[O-])C3CC3)c(=S)o2)cc1OC ZINC000737911268 599935588 /nfs/dbraw/zinc/93/55/88/599935588.db2.gz FLYUXRHRMUWZCJ-NSHDSACASA-N 0 2 393.465 3.032 20 0 GGADLN Cc1cccc(OCc2nn(C[N@@H+](C[C@H](C)C(=O)[O-])C3CC3)c(=S)o2)c1 ZINC000738737825 599935872 /nfs/dbraw/zinc/93/58/72/599935872.db2.gz MRLNIIZBTUGTCA-ZDUSSCGKSA-N 0 2 377.466 3.236 20 0 GGADLN Cc1cccc(OCc2nn(C[N@H+](C[C@H](C)C(=O)[O-])C3CC3)c(=S)o2)c1 ZINC000738737825 599935875 /nfs/dbraw/zinc/93/58/75/599935875.db2.gz MRLNIIZBTUGTCA-ZDUSSCGKSA-N 0 2 377.466 3.236 20 0 GGADLN O=C([O-])c1sc2ccccc2c1C[N@@H+]1CCO[C@@H](c2noc(C3CC3)n2)C1 ZINC000740281692 599937898 /nfs/dbraw/zinc/93/78/98/599937898.db2.gz TWQLSNYWGBXWAG-CQSZACIVSA-N 0 2 385.445 3.433 20 0 GGADLN O=C([O-])c1sc2ccccc2c1C[N@H+]1CCO[C@@H](c2noc(C3CC3)n2)C1 ZINC000740281692 599937900 /nfs/dbraw/zinc/93/79/00/599937900.db2.gz TWQLSNYWGBXWAG-CQSZACIVSA-N 0 2 385.445 3.433 20 0 GGADLN COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])[N@H+](Cc1cn3cc(C)ccc3n1)CC2 ZINC000581078612 599984659 /nfs/dbraw/zinc/98/46/59/599984659.db2.gz YLCMFXNXRHHFMV-GOSISDBHSA-N 0 2 395.459 3.234 20 0 GGADLN COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])[N@@H+](Cc1cn3cc(C)ccc3n1)CC2 ZINC000581078612 599984660 /nfs/dbraw/zinc/98/46/60/599984660.db2.gz YLCMFXNXRHHFMV-GOSISDBHSA-N 0 2 395.459 3.234 20 0 GGADLN CC[C@H](C)[C@H](NC(=O)C[N@@H+]1CCC[C@@H]1c1nc2ccccc2s1)C(=O)[O-] ZINC000736873966 599987675 /nfs/dbraw/zinc/98/76/75/599987675.db2.gz CYVWEMQKWQJYNX-QEORTHHSSA-N 0 2 375.494 3.049 20 0 GGADLN CC[C@H](C)[C@H](NC(=O)C[N@H+]1CCC[C@@H]1c1nc2ccccc2s1)C(=O)[O-] ZINC000736873966 599987677 /nfs/dbraw/zinc/98/76/77/599987677.db2.gz CYVWEMQKWQJYNX-QEORTHHSSA-N 0 2 375.494 3.049 20 0 GGADLN CC(C)C[C@@H](NC(=O)C[N@@H+]1CCC[C@@H]1c1nc2ccccc2s1)C(=O)[O-] ZINC000736412059 599987741 /nfs/dbraw/zinc/98/77/41/599987741.db2.gz KSWBTFWHQLGTRM-HUUCEWRRSA-N 0 2 375.494 3.049 20 0 GGADLN CC(C)C[C@@H](NC(=O)C[N@H+]1CCC[C@@H]1c1nc2ccccc2s1)C(=O)[O-] ZINC000736412059 599987744 /nfs/dbraw/zinc/98/77/44/599987744.db2.gz KSWBTFWHQLGTRM-HUUCEWRRSA-N 0 2 375.494 3.049 20 0 GGADLN C[C@H]1CCC[N@H+](Cc2csc(NC(=O)NC3CCC(C(=O)[O-])CC3)n2)C1 ZINC000736793179 600010194 /nfs/dbraw/zinc/01/01/94/600010194.db2.gz KMBIDNLQJZZIKU-HSBZDZAISA-N 0 2 380.514 3.140 20 0 GGADLN C[C@H]1CCC[N@@H+](Cc2csc(NC(=O)NC3CCC(C(=O)[O-])CC3)n2)C1 ZINC000736793179 600010197 /nfs/dbraw/zinc/01/01/97/600010197.db2.gz KMBIDNLQJZZIKU-HSBZDZAISA-N 0 2 380.514 3.140 20 0 GGADLN CC(C)(C)[C@@H](Cn1cc[nH+]c1)NC(=O)Nc1cccc(CSCC(=O)[O-])c1 ZINC000736240544 600020354 /nfs/dbraw/zinc/02/03/54/600020354.db2.gz CSSUEQZOCCLGGG-MRXNPFEDSA-N 0 2 390.509 3.437 20 0 GGADLN O=C([O-])c1cccc(C[NH+]2CCN(C(=O)c3ccc(Cl)cc3F)CC2)c1 ZINC000263379332 600026101 /nfs/dbraw/zinc/02/61/01/600026101.db2.gz CPFLUWALUWLBRF-UHFFFAOYSA-N 0 2 376.815 3.135 20 0 GGADLN C[C@@H]1C[NH+](Cc2ccccc2NC(=O)NC2CCC(C(=O)[O-])CC2)C[C@@H](C)O1 ZINC000736812498 600027489 /nfs/dbraw/zinc/02/74/89/600027489.db2.gz AXDQTFRSOZLSHJ-RSIVFMTNSA-N 0 2 389.496 3.061 20 0 GGADLN CC[C@@H](c1ccccc1)[C@H]1CCC[N@@H+]1Cn1nc(C(=O)[O-])c2c(C)onc2c1=O ZINC000736929125 600033566 /nfs/dbraw/zinc/03/35/66/600033566.db2.gz OUMRXGIJQNAZBV-JKSUJKDBSA-N 0 2 396.447 3.007 20 0 GGADLN CC[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1Cn1nc(C(=O)[O-])c2c(C)onc2c1=O ZINC000736929125 600033568 /nfs/dbraw/zinc/03/35/68/600033568.db2.gz OUMRXGIJQNAZBV-JKSUJKDBSA-N 0 2 396.447 3.007 20 0 GGADLN COc1ccc([C@H]2CCC[N@@H+]2CC(=O)Nc2cc(C(=O)[O-])ccc2C)c(OC)c1 ZINC000737987021 600049932 /nfs/dbraw/zinc/04/99/32/600049932.db2.gz PVFYQFXDEXFQOU-LJQANCHMSA-N 0 2 398.459 3.486 20 0 GGADLN COc1ccc([C@H]2CCC[N@H+]2CC(=O)Nc2cc(C(=O)[O-])ccc2C)c(OC)c1 ZINC000737987021 600049934 /nfs/dbraw/zinc/04/99/34/600049934.db2.gz PVFYQFXDEXFQOU-LJQANCHMSA-N 0 2 398.459 3.486 20 0 GGADLN Cc1cccc(NC(=O)C[NH2+][C@](C)(C(=O)[O-])c2cccc(Br)c2)c1 ZINC000738735858 600077855 /nfs/dbraw/zinc/07/78/55/600077855.db2.gz UDAVRHRMBANUKC-SFHVURJKSA-N 0 2 391.265 3.286 20 0 GGADLN C[C@@]([NH2+]CC(=O)NC1CCCCCC1)(C(=O)[O-])c1cccc(Br)c1 ZINC000736662288 600078384 /nfs/dbraw/zinc/07/83/84/600078384.db2.gz NICNWLPMHDRPIV-SFHVURJKSA-N 0 2 397.313 3.178 20 0 GGADLN CC[C@H]1CCCCN1C(=O)C[NH2+][C@@](C)(C(=O)[O-])c1cccc(Br)c1 ZINC000736942238 600079058 /nfs/dbraw/zinc/07/90/58/600079058.db2.gz SEWHGJRHIHQKDW-MAUKXSAKSA-N 0 2 397.313 3.130 20 0 GGADLN C[C@@H]1CCCC[C@H]1NC(=O)C[NH2+][C@@](C)(C(=O)[O-])c1cccc(Br)c1 ZINC000736787246 600079086 /nfs/dbraw/zinc/07/90/86/600079086.db2.gz YDDPFBBHCCVTQO-CDHAZOANSA-N 0 2 397.313 3.033 20 0 GGADLN C[C@@H]1CCCC[C@@H]1NC(=O)C[NH2+][C@@](C)(C(=O)[O-])c1cccc(Br)c1 ZINC000736787250 600079258 /nfs/dbraw/zinc/07/92/58/600079258.db2.gz YDDPFBBHCCVTQO-HNJNHCNJSA-N 0 2 397.313 3.033 20 0 GGADLN CC1CCC(NC(=O)C[NH2+][C@@](C)(C(=O)[O-])c2cccc(Br)c2)CC1 ZINC000736767232 600080099 /nfs/dbraw/zinc/08/00/99/600080099.db2.gz AOZIODZZHPHHJQ-GUUHALQZSA-N 0 2 397.313 3.033 20 0 GGADLN Cc1ccccc1NC(=O)C[NH2+][C@@](C)(C(=O)[O-])c1cccc(Br)c1 ZINC000738778761 600081022 /nfs/dbraw/zinc/08/10/22/600081022.db2.gz UYOMGSHSRSWAOR-GOSISDBHSA-N 0 2 391.265 3.286 20 0 GGADLN CCCC[N@@H+]1Cc2cccc(NS(=O)(=O)c3cc(F)ccc3C(=O)[O-])c2C1 ZINC000736993372 600100053 /nfs/dbraw/zinc/10/00/53/600100053.db2.gz DNMLANHHYKXCMT-UHFFFAOYSA-N 0 2 392.452 3.440 20 0 GGADLN CCCC[N@H+]1Cc2cccc(NS(=O)(=O)c3cc(F)ccc3C(=O)[O-])c2C1 ZINC000736993372 600100057 /nfs/dbraw/zinc/10/00/57/600100057.db2.gz DNMLANHHYKXCMT-UHFFFAOYSA-N 0 2 392.452 3.440 20 0 GGADLN O=C([O-])C1CCN(C(=O)C[N@@H+]2CCc3sccc3[C@H]2c2cccs2)CC1 ZINC000566359740 600113850 /nfs/dbraw/zinc/11/38/50/600113850.db2.gz WPPARZXIDGUBOL-SFHVURJKSA-N 0 2 390.530 3.080 20 0 GGADLN O=C([O-])C1CCN(C(=O)C[N@H+]2CCc3sccc3[C@H]2c2cccs2)CC1 ZINC000566359740 600113851 /nfs/dbraw/zinc/11/38/51/600113851.db2.gz WPPARZXIDGUBOL-SFHVURJKSA-N 0 2 390.530 3.080 20 0 GGADLN C[C@@H](c1cccc(NC(=O)N2Cc3ccc(C(=O)[O-])cc3C2)c1)[NH+]1CCOCC1 ZINC000736717753 600115795 /nfs/dbraw/zinc/11/57/95/600115795.db2.gz OXGRPSMDBOOMPS-HNNXBMFYSA-N 0 2 395.459 3.326 20 0 GGADLN COc1ccccc1Cc1nn(C[N@@H+]2CCCC[C@H]2CC(=O)[O-])c(=S)o1 ZINC000738133077 600124755 /nfs/dbraw/zinc/12/47/55/600124755.db2.gz KAERBFQYAJIJCF-AWEZNQCLSA-N 0 2 377.466 3.092 20 0 GGADLN COc1ccccc1Cc1nn(C[N@H+]2CCCC[C@H]2CC(=O)[O-])c(=S)o1 ZINC000738133077 600124758 /nfs/dbraw/zinc/12/47/58/600124758.db2.gz KAERBFQYAJIJCF-AWEZNQCLSA-N 0 2 377.466 3.092 20 0 GGADLN COc1ccccc1Cc1nn(C[N@@H+]2CCCC[C@@H]2CC(=O)[O-])c(=S)o1 ZINC000738133078 600124844 /nfs/dbraw/zinc/12/48/44/600124844.db2.gz KAERBFQYAJIJCF-CQSZACIVSA-N 0 2 377.466 3.092 20 0 GGADLN COc1ccccc1Cc1nn(C[N@H+]2CCCC[C@@H]2CC(=O)[O-])c(=S)o1 ZINC000738133078 600124845 /nfs/dbraw/zinc/12/48/45/600124845.db2.gz KAERBFQYAJIJCF-CQSZACIVSA-N 0 2 377.466 3.092 20 0 GGADLN O=C([O-])c1ccc(-c2nc(C[N@H+]3CCC[C@H]3[C@@H](O)C(F)(F)F)cs2)cc1 ZINC000740099393 600133930 /nfs/dbraw/zinc/13/39/30/600133930.db2.gz XOYJSVYPMCJDDT-UONOGXRCSA-N 0 2 386.395 3.396 20 0 GGADLN O=C([O-])c1ccc(-c2nc(C[N@@H+]3CCC[C@H]3[C@@H](O)C(F)(F)F)cs2)cc1 ZINC000740099393 600133932 /nfs/dbraw/zinc/13/39/32/600133932.db2.gz XOYJSVYPMCJDDT-UONOGXRCSA-N 0 2 386.395 3.396 20 0 GGADLN O=C([O-])c1ccc(-c2nc(C[N@H+]3CCC[C@@H]3[C@H](O)C(F)(F)F)cs2)cc1 ZINC000740099391 600134017 /nfs/dbraw/zinc/13/40/17/600134017.db2.gz XOYJSVYPMCJDDT-KGLIPLIRSA-N 0 2 386.395 3.396 20 0 GGADLN O=C([O-])c1ccc(-c2nc(C[N@@H+]3CCC[C@@H]3[C@H](O)C(F)(F)F)cs2)cc1 ZINC000740099391 600134018 /nfs/dbraw/zinc/13/40/18/600134018.db2.gz XOYJSVYPMCJDDT-KGLIPLIRSA-N 0 2 386.395 3.396 20 0 GGADLN Cc1ccc(C(=O)[O-])cc1NC(=O)C[N@@H+]1CCC[C@@H]1c1cccc2c1OCCO2 ZINC000738534344 600145417 /nfs/dbraw/zinc/14/54/17/600145417.db2.gz ZLOKOOVQQYJWNI-GOSISDBHSA-N 0 2 396.443 3.240 20 0 GGADLN Cc1ccc(C(=O)[O-])cc1NC(=O)C[N@H+]1CCC[C@@H]1c1cccc2c1OCCO2 ZINC000738534344 600145418 /nfs/dbraw/zinc/14/54/18/600145418.db2.gz ZLOKOOVQQYJWNI-GOSISDBHSA-N 0 2 396.443 3.240 20 0 GGADLN Cc1ccc([C@H](CNC(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)C(=O)[O-])cc1 ZINC000738553387 600156146 /nfs/dbraw/zinc/15/61/46/600156146.db2.gz TZWJHYGJCHUALG-PMACEKPBSA-N 0 2 398.528 3.070 20 0 GGADLN Cc1ccc([C@@H](CNC(=O)[C@H](c2ccccc2)[NH+]2CCSCC2)C(=O)[O-])cc1 ZINC000738553388 600156270 /nfs/dbraw/zinc/15/62/70/600156270.db2.gz TZWJHYGJCHUALG-UXHICEINSA-N 0 2 398.528 3.070 20 0 GGADLN O=C([O-])CCN(Cc1ccc(F)c(F)c1)C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000739720412 600167130 /nfs/dbraw/zinc/16/71/30/600167130.db2.gz XLFLILKZGJJXTQ-UHFFFAOYSA-N 0 2 399.397 3.327 20 0 GGADLN CC(C)OC1CC[NH+](CC(=O)Nc2sc3c(c2C(=O)[O-])CC[C@@H](C)C3)CC1 ZINC000736803240 600168422 /nfs/dbraw/zinc/16/84/22/600168422.db2.gz UWEWHWSHUBUYDY-CYBMUJFWSA-N 0 2 394.537 3.399 20 0 GGADLN COC(=O)c1cc(NC(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)cc(C(=O)[O-])c1 ZINC000737661058 600173855 /nfs/dbraw/zinc/17/38/55/600173855.db2.gz PTIAPXGCCINNHQ-INIZCTEOSA-N 0 2 390.823 3.066 20 0 GGADLN C[C@@H]1CCCN(c2cc(N3CCc4[nH]c5ccc(C(=O)[O-])cc5c4C3)nc[nH+]2)C1 ZINC000518777257 600179944 /nfs/dbraw/zinc/17/99/44/600179944.db2.gz YDQFFYLFYOJZCL-CQSZACIVSA-N 0 2 391.475 3.455 20 0 GGADLN C[C@@H]1CCCN(c2cc(N3CCc4[nH]c5ccc(C(=O)[O-])cc5c4C3)[nH+]cn2)C1 ZINC000518777257 600179947 /nfs/dbraw/zinc/17/99/47/600179947.db2.gz YDQFFYLFYOJZCL-CQSZACIVSA-N 0 2 391.475 3.455 20 0 GGADLN O=C([O-])CCN(Cc1ccc(F)c(F)c1)C(=O)c1ccc(-n2cc[nH+]c2)cc1 ZINC000238133956 600205194 /nfs/dbraw/zinc/20/51/94/600205194.db2.gz SPWBIHRCAFJLTO-UHFFFAOYSA-N 0 2 385.370 3.268 20 0 GGADLN Cc1cc(N2CCN([C@@H](C(=O)[O-])c3ccc(Cl)cc3)CC2)nc(C2CC2)[nH+]1 ZINC000738404893 600213762 /nfs/dbraw/zinc/21/37/62/600213762.db2.gz AJVXLTUPPLPOLQ-GOSISDBHSA-N 0 2 386.883 3.264 20 0 GGADLN Cc1ccc([C@H]2CSCC[N@H+]2CC(=O)N(C)c2ccccc2C(=O)[O-])cc1 ZINC000738583970 600232468 /nfs/dbraw/zinc/23/24/68/600232468.db2.gz VIYINVBRLFIYFV-LJQANCHMSA-N 0 2 384.501 3.446 20 0 GGADLN Cc1ccc([C@H]2CSCC[N@@H+]2CC(=O)N(C)c2ccccc2C(=O)[O-])cc1 ZINC000738583970 600232469 /nfs/dbraw/zinc/23/24/69/600232469.db2.gz VIYINVBRLFIYFV-LJQANCHMSA-N 0 2 384.501 3.446 20 0 GGADLN CCc1ccc(O[C@@H](C)C(=O)N2CC[NH+](Cc3ccc(C(=O)[O-])cc3)CC2)cc1 ZINC000263583434 600261477 /nfs/dbraw/zinc/26/14/77/600261477.db2.gz ZXUBFULRNUNRPU-KRWDZBQOSA-N 0 2 396.487 3.059 20 0 GGADLN CCc1ccccc1O[C@@H](C)C(=O)N1CC[NH+](Cc2cccc(C(=O)[O-])c2)CC1 ZINC000262951464 600262213 /nfs/dbraw/zinc/26/22/13/600262213.db2.gz AVUWKEXRRMJXKO-KRWDZBQOSA-N 0 2 396.487 3.059 20 0 GGADLN Cc1ccc(OC2CC[NH+](CC(=O)Nc3cc(C(=O)[O-])ccc3C)CC2)cc1 ZINC000738638898 600262593 /nfs/dbraw/zinc/26/25/93/600262593.db2.gz KJMPTRMNIRAJDT-UHFFFAOYSA-N 0 2 382.460 3.484 20 0 GGADLN CC(C)(C)[C@H]1CCc2c(sc(=O)n2C[NH+]2CCC3(C[C@H]3C(=O)[O-])CC2)C1 ZINC000736253654 600278805 /nfs/dbraw/zinc/27/88/05/600278805.db2.gz ZRXCIVIMFNTGHX-KBPBESRZSA-N 0 2 378.538 3.205 20 0 GGADLN O=C([O-])c1cc(Cl)cc(NC(=O)N2CC[NH+](Cc3ccsc3)CC2)c1 ZINC000740074048 600288784 /nfs/dbraw/zinc/28/87/84/600288784.db2.gz FFFVHCJCRIACGB-UHFFFAOYSA-N 0 2 379.869 3.449 20 0 GGADLN COc1ccc2[nH]cc(C3CC[NH+](Cc4noc(CCCC(=O)[O-])n4)CC3)c2c1 ZINC000578515318 600292159 /nfs/dbraw/zinc/29/21/59/600292159.db2.gz RNAQTPWGEHDUMT-UHFFFAOYSA-N 0 2 398.463 3.346 20 0 GGADLN O=C([O-])NCc1ccc(NC(=O)[C@@H](c2ccccc2)[NH+]2CCSCC2)cc1 ZINC000739987008 600309371 /nfs/dbraw/zinc/30/93/71/600309371.db2.gz SQYHMYPXKNSBEN-GOSISDBHSA-N 0 2 385.489 3.183 20 0 GGADLN O=C([O-])c1ccc(-c2nc(C[N@@H+]3CCC[C@@H](N4CCCC4=O)C3)cs2)cc1 ZINC000740098202 600335248 /nfs/dbraw/zinc/33/52/48/600335248.db2.gz NNYJZSYDSZPHJC-QGZVFWFLSA-N 0 2 385.489 3.095 20 0 GGADLN O=C([O-])c1ccc(-c2nc(C[N@H+]3CCC[C@@H](N4CCCC4=O)C3)cs2)cc1 ZINC000740098202 600335251 /nfs/dbraw/zinc/33/52/51/600335251.db2.gz NNYJZSYDSZPHJC-QGZVFWFLSA-N 0 2 385.489 3.095 20 0 GGADLN C[C@@H](c1cccnc1)[NH+]1CCN(C(=O)Nc2ccc(CN(C)C(=O)[O-])cc2)CC1 ZINC000736726686 600340566 /nfs/dbraw/zinc/34/05/66/600340566.db2.gz WOENFEAJEXVNCH-INIZCTEOSA-N 0 2 397.479 3.102 20 0 GGADLN O=C([O-])NCc1ccc(NC(=O)NCc2ccc(-n3cc[nH+]c3)c(F)c2)cc1 ZINC000739987992 600357151 /nfs/dbraw/zinc/35/71/51/600357151.db2.gz ITHLYKFOWNZLEX-UHFFFAOYSA-N 0 2 383.383 3.101 20 0 GGADLN C[C@H](C(=O)Nc1nc(-c2c[nH]c(C(=O)[O-])c2)cs1)[N@@H+]1CCc2ccccc2C1 ZINC000736220164 600359353 /nfs/dbraw/zinc/35/93/53/600359353.db2.gz YUEUXZVFTWWQDO-GFCCVEGCSA-N 0 2 396.472 3.222 20 0 GGADLN C[C@H](C(=O)Nc1nc(-c2c[nH]c(C(=O)[O-])c2)cs1)[N@H+]1CCc2ccccc2C1 ZINC000736220164 600359356 /nfs/dbraw/zinc/35/93/56/600359356.db2.gz YUEUXZVFTWWQDO-GFCCVEGCSA-N 0 2 396.472 3.222 20 0 GGADLN C[C@H](C(=O)Nc1cccc(NC(=O)[O-])c1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000736219452 600360165 /nfs/dbraw/zinc/36/01/65/600360165.db2.gz ZASSFANBJOCVMO-CQSZACIVSA-N 0 2 386.427 3.065 20 0 GGADLN O=C([O-])c1ccc(NC(=O)N[C@@H]2CCC[N@H+](Cc3c(F)cccc3F)C2)cc1 ZINC000739467470 600379371 /nfs/dbraw/zinc/37/93/71/600379371.db2.gz WJDARNHBFPAULU-OAHLLOKOSA-N 0 2 389.402 3.449 20 0 GGADLN O=C([O-])c1ccc(NC(=O)N[C@@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)cc1 ZINC000739467470 600379375 /nfs/dbraw/zinc/37/93/75/600379375.db2.gz WJDARNHBFPAULU-OAHLLOKOSA-N 0 2 389.402 3.449 20 0 GGADLN O=C([O-])[C@@H]1CCC[N@@H+]1CC(=O)Nc1cc(-c2ccccc2)nn1-c1ccccc1 ZINC000739282638 600391417 /nfs/dbraw/zinc/39/14/17/600391417.db2.gz DTXDCJZEADDEJU-IBGZPJMESA-N 0 2 390.443 3.027 20 0 GGADLN O=C([O-])[C@@H]1CCC[N@H+]1CC(=O)Nc1cc(-c2ccccc2)nn1-c1ccccc1 ZINC000739282638 600391418 /nfs/dbraw/zinc/39/14/18/600391418.db2.gz DTXDCJZEADDEJU-IBGZPJMESA-N 0 2 390.443 3.027 20 0 GGADLN O=C([O-])CCSCc1cccc(NC(=O)N2CCC[C@@H](n3cc[nH+]c3)C2)c1 ZINC000739753535 600395712 /nfs/dbraw/zinc/39/57/12/600395712.db2.gz AGEKYHOAKAQHDP-QGZVFWFLSA-N 0 2 388.493 3.460 20 0 GGADLN Cc1nc2ccccn2c1C[NH+]1CCN([C@H](C(=O)[O-])c2cccc(Cl)c2)CC1 ZINC000738878578 600398070 /nfs/dbraw/zinc/39/80/70/600398070.db2.gz ZRQYGNMFQQYETQ-FQEVSTJZSA-N 0 2 398.894 3.240 20 0 GGADLN Cc1nc2ccccn2c1C[NH+]1CCN([C@@H](C(=O)[O-])c2cccc(Cl)c2)CC1 ZINC000738878582 600398274 /nfs/dbraw/zinc/39/82/74/600398274.db2.gz ZRQYGNMFQQYETQ-HXUWFJFHSA-N 0 2 398.894 3.240 20 0 GGADLN O=C([O-])[C@@H](c1cccc(Cl)c1)[NH+]1CCN(C(=O)c2cc(F)ccc2F)CC1 ZINC000739519474 600402108 /nfs/dbraw/zinc/40/21/08/600402108.db2.gz ZAJIRNGEQNBXIM-QGZVFWFLSA-N 0 2 394.805 3.202 20 0 GGADLN O=C([O-])c1ccc(NC(=O)NCC[NH+]2Cc3ccccc3C2)c(OC(F)F)c1 ZINC000739419165 600406253 /nfs/dbraw/zinc/40/62/53/600406253.db2.gz AZGUENDJIDUQPI-UHFFFAOYSA-N 0 2 391.374 3.124 20 0 GGADLN O=C([O-])c1ccc(NC(=O)N2CCC[C@H](n3cc[nH+]c3)C2)c(OC(F)F)c1 ZINC000740148721 600407619 /nfs/dbraw/zinc/40/76/19/600407619.db2.gz ZDXKLJOPELSRIJ-LBPRGKRZSA-N 0 2 380.351 3.052 20 0 GGADLN O=C([O-])c1ccc(NC(=O)NCCCNc2cccc[nH+]2)c(OC(F)F)c1 ZINC000739417418 600409351 /nfs/dbraw/zinc/40/93/51/600409351.db2.gz ZBWONZREPIVHOQ-UHFFFAOYSA-N 0 2 380.351 3.005 20 0 GGADLN CCc1ccc(C[NH+]2CCN(C(=O)CCc3ccc(C(=O)[O-])cc3)CC2)s1 ZINC000737266005 600413422 /nfs/dbraw/zinc/41/34/22/600413422.db2.gz ZVIISAICGKZYMR-UHFFFAOYSA-N 0 2 386.517 3.286 20 0 GGADLN COCCn1c2ccc(Cl)cc2n(C[N@@H+]2CCC[C@@H](C(=O)[O-])C2)c1=S ZINC000737827197 600421790 /nfs/dbraw/zinc/42/17/90/600421790.db2.gz ROWOCOHVFJFRSP-GFCCVEGCSA-N 0 2 383.901 3.226 20 0 GGADLN COCCn1c2ccc(Cl)cc2n(C[N@H+]2CCC[C@@H](C(=O)[O-])C2)c1=S ZINC000737827197 600421792 /nfs/dbraw/zinc/42/17/92/600421792.db2.gz ROWOCOHVFJFRSP-GFCCVEGCSA-N 0 2 383.901 3.226 20 0 GGADLN COc1ccccc1Nc1nn(C[N@@H+]2CCC[C@@H](C(=O)[O-])C2)c(=S)s1 ZINC000738135330 600423019 /nfs/dbraw/zinc/42/30/19/600423019.db2.gz BIZNOUHZGBFLFR-LLVKDONJSA-N 0 2 380.495 3.180 20 0 GGADLN COc1ccccc1Nc1nn(C[N@H+]2CCC[C@@H](C(=O)[O-])C2)c(=S)s1 ZINC000738135330 600423020 /nfs/dbraw/zinc/42/30/20/600423020.db2.gz BIZNOUHZGBFLFR-LLVKDONJSA-N 0 2 380.495 3.180 20 0 GGADLN CC[N@H+](CCC(=O)[O-])Cn1nc(-c2ccccc2)n(Cc2ccco2)c1=S ZINC000737097330 600423141 /nfs/dbraw/zinc/42/31/41/600423141.db2.gz XCQBQNKEOJSKSL-UHFFFAOYSA-N 0 2 386.477 3.476 20 0 GGADLN CC[N@@H+](CCC(=O)[O-])Cn1nc(-c2ccccc2)n(Cc2ccco2)c1=S ZINC000737097330 600423145 /nfs/dbraw/zinc/42/31/45/600423145.db2.gz XCQBQNKEOJSKSL-UHFFFAOYSA-N 0 2 386.477 3.476 20 0 GGADLN CC[N@H+](CCC(=O)[O-])Cn1nc(-c2cccs2)n(C[C@H]2CCCO2)c1=S ZINC000737096032 600425336 /nfs/dbraw/zinc/42/53/36/600425336.db2.gz IWDKXUZBCXSWES-CYBMUJFWSA-N 0 2 396.538 3.076 20 0 GGADLN CC[N@@H+](CCC(=O)[O-])Cn1nc(-c2cccs2)n(C[C@H]2CCCO2)c1=S ZINC000737096032 600425340 /nfs/dbraw/zinc/42/53/40/600425340.db2.gz IWDKXUZBCXSWES-CYBMUJFWSA-N 0 2 396.538 3.076 20 0 GGADLN CC(=O)N1CCCCC[C@@H]1C1CC[NH+](Cn2nc(C(=O)[O-])c(Cl)c2C)CC1 ZINC000736134635 600426367 /nfs/dbraw/zinc/42/63/67/600426367.db2.gz KEBBIXIWCHYCCT-MRXNPFEDSA-N 0 2 396.919 3.004 20 0 GGADLN Cc1ccc(Br)cc1NC(=O)C[NH2+][C@H](C(=O)[O-])c1ccc(F)cc1 ZINC000738501644 600432031 /nfs/dbraw/zinc/43/20/31/600432031.db2.gz XFTQXTUULJTHSE-INIZCTEOSA-N 0 2 395.228 3.251 20 0 GGADLN O=C([O-])[C@@H]([NH2+][C@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O)c1ccccc1 ZINC000738523732 600438213 /nfs/dbraw/zinc/43/82/13/600438213.db2.gz ZBVDXQCPLDFBGZ-HOTGVXAUSA-N 0 2 378.350 3.226 20 0 GGADLN O=C([O-])[C@H]([NH2+][C@@H]1CCN(c2ccc(C(F)(F)F)cc2)C1=O)c1ccc(F)cc1 ZINC000739506941 600438653 /nfs/dbraw/zinc/43/86/53/600438653.db2.gz HXIYYDPVSIJYJP-HZPDHXFCSA-N 0 2 396.340 3.365 20 0 GGADLN O=C([O-])Nc1ccc(CCNC(=O)NCc2cc[nH+]c(N3CCCCC3)c2)cc1 ZINC000740023472 600457868 /nfs/dbraw/zinc/45/78/68/600457868.db2.gz NXDMAIXSGKXNHZ-UHFFFAOYSA-N 0 2 397.479 3.204 20 0 GGADLN CC[C@@H]1C(=O)NCC[N@H+]1Cc1nc2ccccc2c(-c2ccccc2)c1C(=O)[O-] ZINC000736941335 600470603 /nfs/dbraw/zinc/47/06/03/600470603.db2.gz QASOREFWBQOCLI-LJQANCHMSA-N 0 2 389.455 3.310 20 0 GGADLN CC[C@@H]1C(=O)NCC[N@@H+]1Cc1nc2ccccc2c(-c2ccccc2)c1C(=O)[O-] ZINC000736941335 600470605 /nfs/dbraw/zinc/47/06/05/600470605.db2.gz QASOREFWBQOCLI-LJQANCHMSA-N 0 2 389.455 3.310 20 0 GGADLN CCc1ccc(C[NH+]2CCN(C(=O)Nc3ccc(CC(=O)[O-])cc3)CC2)s1 ZINC000737264692 600479021 /nfs/dbraw/zinc/47/90/21/600479021.db2.gz INSMXJRMNHCZST-UHFFFAOYSA-N 0 2 387.505 3.287 20 0 GGADLN O=C([O-])CCCOc1ccc(NC(=O)c2cccc(Cn3cc[nH+]c3)c2)cc1 ZINC000739687568 600482085 /nfs/dbraw/zinc/48/20/85/600482085.db2.gz QVTGVQDEMOSZIR-UHFFFAOYSA-N 0 2 379.416 3.427 20 0 GGADLN O=C([O-])CCCOc1ccc(CNC(=O)c2ccc(-n3cc[nH+]c3)cc2)cc1 ZINC000238015665 600483020 /nfs/dbraw/zinc/48/30/20/600483020.db2.gz JTPQLFYZZWMCAQ-UHFFFAOYSA-N 0 2 379.416 3.046 20 0 GGADLN O=C([O-])[C@@H]1CCCN(C(=O)NC[C@H](c2c(F)cccc2Cl)[NH+]2CCCC2)C1 ZINC000262991802 600487912 /nfs/dbraw/zinc/48/79/12/600487912.db2.gz LXKUMOUZQXFQHB-CZUORRHYSA-N 0 2 397.878 3.122 20 0 GGADLN Cc1ccc([C@H](CNC(=O)CSCc2cn3cc(C)ccc3[nH+]2)C(=O)[O-])cc1 ZINC000738560852 600494474 /nfs/dbraw/zinc/49/44/74/600494474.db2.gz MFZITOJOAAXVPU-SFHVURJKSA-N 0 2 397.500 3.169 20 0 GGADLN CC(C)[C@H](C(=O)Nc1ccc(OCCCC(=O)[O-])cc1)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000736807796 600496489 /nfs/dbraw/zinc/49/64/89/600496489.db2.gz MNANRELPTUVFAK-JXXFODFXSA-N 0 2 392.496 3.003 20 0 GGADLN O=C([O-])CCCOc1ccc(NC(=O)c2ccc(Cn3cc[nH+]c3)cc2)cc1 ZINC000739686636 600496875 /nfs/dbraw/zinc/49/68/75/600496875.db2.gz QHVCGGUTSFUQEC-UHFFFAOYSA-N 0 2 379.416 3.427 20 0 GGADLN O=C([O-])c1ccc(-c2nc(C[N@@H+]3CCC[C@@H](N4CCCCC4=O)C3)cs2)cc1 ZINC000740096784 600501868 /nfs/dbraw/zinc/50/18/68/600501868.db2.gz DRSRLUTYACHKKC-GOSISDBHSA-N 0 2 399.516 3.485 20 0 GGADLN 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CC(=O)N(c1nc(C[N@@H+]2CCC[C@H](C(=O)[O-])C2)cs1)c1ccc(F)cc1 ZINC000736129790 601031421 /nfs/dbraw/zinc/03/14/21/601031421.db2.gz FPQLLFKWXQJCPD-ZDUSSCGKSA-N 0 2 377.441 3.263 20 0 GGADLN CC(=O)N(c1nc(C[N@H+]2CCC[C@H](C(=O)[O-])C2)cs1)c1ccc(F)cc1 ZINC000736129790 601031423 /nfs/dbraw/zinc/03/14/23/601031423.db2.gz FPQLLFKWXQJCPD-ZDUSSCGKSA-N 0 2 377.441 3.263 20 0 GGADLN CCc1[nH]c(C(=O)NC2CC[NH+](c3ccc(N(C)C)cc3)CC2)c(C)c1C(=O)[O-] ZINC000737242687 601031846 /nfs/dbraw/zinc/03/18/46/601031846.db2.gz VLFQMBVSRWSYSY-UHFFFAOYSA-N 0 2 398.507 3.049 20 0 GGADLN CC[C@](C)([NH2+]Cc1nc(=O)c2c(C)c(C(=O)[O-])sc2[nH]1)c1nc(C)cs1 ZINC000828692981 601042636 /nfs/dbraw/zinc/04/26/36/601042636.db2.gz OZXONEUFLWLUFL-KRWDZBQOSA-N 0 2 392.506 3.171 20 0 GGADLN Cn1cc[nH+]c1C[C@H](NC(=O)Nc1ccc(C(=O)[O-])cc1F)c1ccccc1 ZINC000821304731 601044255 /nfs/dbraw/zinc/04/42/55/601044255.db2.gz DLHRJXGCOYBOIS-KRWDZBQOSA-N 0 2 382.395 3.363 20 0 GGADLN Cc1c(C(=O)[O-])sc2[nH]c(C[NH2+]C3(c4nccs4)CCCC3)nc(=O)c12 ZINC000832854553 601045577 /nfs/dbraw/zinc/04/55/77/601045577.db2.gz ZOTRHXWGMNKVCI-UHFFFAOYSA-N 0 2 390.490 3.007 20 0 GGADLN CN(C)c1ccc([NH+]2CCC(NC(=O)c3ccccc3NC(=O)[O-])CC2)cc1 ZINC000737375023 601067404 /nfs/dbraw/zinc/06/74/04/601067404.db2.gz FPHYRGSRDYMGSD-UHFFFAOYSA-N 0 2 382.464 3.241 20 0 GGADLN O=C([O-])[C@H]1C[C@@H](C2CCCCC2)CN1C(=O)c1ccc(Cn2cc[nH+]c2)cc1 ZINC000833179983 601079872 /nfs/dbraw/zinc/07/98/72/601079872.db2.gz RHSBWYSEJDSLJW-WOJBJXKFSA-N 0 2 381.476 3.427 20 0 GGADLN C[C@@H](C[N@@H+](Cc1ccccc1)CN1C(=O)C(=O)c2c1cccc2Cl)C(=O)[O-] ZINC000736585872 601087631 /nfs/dbraw/zinc/08/76/31/601087631.db2.gz XVUKABBCYBMYDX-ZDUSSCGKSA-N 0 2 386.835 3.050 20 0 GGADLN C[C@@H](C[N@H+](Cc1ccccc1)CN1C(=O)C(=O)c2c1cccc2Cl)C(=O)[O-] ZINC000736585872 601087632 /nfs/dbraw/zinc/08/76/32/601087632.db2.gz XVUKABBCYBMYDX-ZDUSSCGKSA-N 0 2 386.835 3.050 20 0 GGADLN C[C@H](C[N@@H+](Cc1ccccc1)Cn1nc(-c2ccc(F)cc2)ccc1=O)C(=O)[O-] ZINC000736583469 601088378 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386.464 3.053 20 0 GGADLN C[C@@H](Sc1ccccc1C(=O)N1CCC([N@@H+](C)CC(F)F)CC1)C(=O)[O-] ZINC000736711690 601125096 /nfs/dbraw/zinc/12/50/96/601125096.db2.gz FROXBQFYJCIZOM-GFCCVEGCSA-N 0 2 386.464 3.053 20 0 GGADLN Cc1cccn2cc(CCNC(=O)Nc3cc(C(=O)[O-])ccc3OC(C)C)[nH+]c12 ZINC000832981871 601132014 /nfs/dbraw/zinc/13/20/14/601132014.db2.gz MFPMLFPVQAJGHI-UHFFFAOYSA-N 0 2 396.447 3.492 20 0 GGADLN O=C([O-])c1ccc2c(=O)[nH]c(C[N@H+]3CCC[C@@H]3C[C@@H](O)c3cccs3)nc2c1 ZINC000833325045 601156852 /nfs/dbraw/zinc/15/68/52/601156852.db2.gz IWHKNGSQRQYGSE-CZUORRHYSA-N 0 2 399.472 3.183 20 0 GGADLN O=C([O-])c1ccc2c(=O)[nH]c(C[N@@H+]3CCC[C@@H]3C[C@@H](O)c3cccs3)nc2c1 ZINC000833325045 601156854 /nfs/dbraw/zinc/15/68/54/601156854.db2.gz IWHKNGSQRQYGSE-CZUORRHYSA-N 0 2 399.472 3.183 20 0 GGADLN O=C([O-])c1ccc2c(=O)[nH]c(C[N@H+]3CCC[C@H]3C[C@@H](O)c3cccs3)nc2c1 ZINC000833325047 601157260 /nfs/dbraw/zinc/15/72/60/601157260.db2.gz IWHKNGSQRQYGSE-XJKSGUPXSA-N 0 2 399.472 3.183 20 0 GGADLN O=C([O-])c1ccc2c(=O)[nH]c(C[N@@H+]3CCC[C@H]3C[C@@H](O)c3cccs3)nc2c1 ZINC000833325047 601157262 /nfs/dbraw/zinc/15/72/62/601157262.db2.gz IWHKNGSQRQYGSE-XJKSGUPXSA-N 0 2 399.472 3.183 20 0 GGADLN CN1C(=O)N[C@@H](c2ccccc2)C(C(=O)[O-])=C1C[N@@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000830908689 601182740 /nfs/dbraw/zinc/18/27/40/601182740.db2.gz ZVHDTISEAHHOLA-XLIONFOSSA-N 0 2 395.434 3.308 20 0 GGADLN CN1C(=O)N[C@@H](c2ccccc2)C(C(=O)[O-])=C1C[N@H+]1CC[C@@H]1c1cccc(F)c1 ZINC000830908689 601182742 /nfs/dbraw/zinc/18/27/42/601182742.db2.gz ZVHDTISEAHHOLA-XLIONFOSSA-N 0 2 395.434 3.308 20 0 GGADLN O=C([O-])c1cc(Cl)cc(Cl)c1NC(=O)CN1CCC(c2c[nH]c[nH+]2)CC1 ZINC000833104459 601326107 /nfs/dbraw/zinc/32/61/07/601326107.db2.gz BMPHPJAMDHAQFO-UHFFFAOYSA-N 0 2 397.262 3.233 20 0 GGADLN Cc1ccc(C(=O)[O-])cc1NC(=O)C[N@@H+](C)[C@H](C)c1ccc([S@](C)=O)cc1 ZINC000832915543 601355801 /nfs/dbraw/zinc/35/58/01/601355801.db2.gz KDFHTHLULNDPDT-ASHKIFAZSA-N 0 2 388.489 3.062 20 0 GGADLN Cc1ccc(C(=O)[O-])cc1NC(=O)C[N@H+](C)[C@H](C)c1ccc([S@](C)=O)cc1 ZINC000832915543 601355804 /nfs/dbraw/zinc/35/58/04/601355804.db2.gz KDFHTHLULNDPDT-ASHKIFAZSA-N 0 2 388.489 3.062 20 0 GGADLN O=C([O-])c1cc(S(=O)(=O)Nc2ccc3[nH+]ccn3c2)c(Cl)cc1Cl ZINC000833306011 601361967 /nfs/dbraw/zinc/36/19/67/601361967.db2.gz HWCGOYYDQHLTKI-UHFFFAOYSA-N 0 2 386.216 3.140 20 0 GGADLN O=C([O-])c1c2c(sc1NC(=O)C[N@@H+]1CCC[C@H]1c1ccccn1)CCCC2 ZINC000833104538 601389248 /nfs/dbraw/zinc/38/92/48/601389248.db2.gz CZUBWCNRXHJYKA-HNNXBMFYSA-N 0 2 385.489 3.496 20 0 GGADLN O=C([O-])c1c2c(sc1NC(=O)C[N@H+]1CCC[C@H]1c1ccccn1)CCCC2 ZINC000833104538 601389250 /nfs/dbraw/zinc/38/92/50/601389250.db2.gz CZUBWCNRXHJYKA-HNNXBMFYSA-N 0 2 385.489 3.496 20 0 GGADLN CC(C)OC(=O)Cc1nc(C[N@@H+]2C[C@@H](C3CCCCC3)C[C@H]2C(=O)[O-])cs1 ZINC000826990042 601430399 /nfs/dbraw/zinc/43/03/99/601430399.db2.gz MHCHJCXZABOQHK-RDJZCZTQSA-N 0 2 394.537 3.493 20 0 GGADLN CC(C)OC(=O)Cc1nc(C[N@H+]2C[C@@H](C3CCCCC3)C[C@H]2C(=O)[O-])cs1 ZINC000826990042 601430400 /nfs/dbraw/zinc/43/04/00/601430400.db2.gz MHCHJCXZABOQHK-RDJZCZTQSA-N 0 2 394.537 3.493 20 0 GGADLN Cc1cccc(C)c1-n1nnnc1C[N@@H+]1C[C@H](C2CCCCC2)C[C@H]1C(=O)[O-] ZINC000579735413 601433773 /nfs/dbraw/zinc/43/37/73/601433773.db2.gz AUHVSZBGQQQVRV-MSOLQXFVSA-N 0 2 383.496 3.135 20 0 GGADLN Cc1cccc(C)c1-n1nnnc1C[N@H+]1C[C@H](C2CCCCC2)C[C@H]1C(=O)[O-] ZINC000579735413 601433774 /nfs/dbraw/zinc/43/37/74/601433774.db2.gz AUHVSZBGQQQVRV-MSOLQXFVSA-N 0 2 383.496 3.135 20 0 GGADLN Cc1cccc(C)c1-n1nnnc1C[N@@H+]1C[C@@H](C2CCCCC2)C[C@@H]1C(=O)[O-] ZINC000579735416 601433879 /nfs/dbraw/zinc/43/38/79/601433879.db2.gz AUHVSZBGQQQVRV-ZWKOTPCHSA-N 0 2 383.496 3.135 20 0 GGADLN Cc1cccc(C)c1-n1nnnc1C[N@H+]1C[C@@H](C2CCCCC2)C[C@@H]1C(=O)[O-] ZINC000579735416 601433881 /nfs/dbraw/zinc/43/38/81/601433881.db2.gz AUHVSZBGQQQVRV-ZWKOTPCHSA-N 0 2 383.496 3.135 20 0 GGADLN C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl)[N@@H+]1CC[C@@](F)(C(=O)[O-])C1 ZINC000827622593 601438508 /nfs/dbraw/zinc/43/85/08/601438508.db2.gz NPODKKNNBMOAPD-IEVXNVSRSA-N 0 2 377.243 3.058 20 0 GGADLN C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl)[N@H+]1CC[C@@](F)(C(=O)[O-])C1 ZINC000827622593 601438510 /nfs/dbraw/zinc/43/85/10/601438510.db2.gz NPODKKNNBMOAPD-IEVXNVSRSA-N 0 2 377.243 3.058 20 0 GGADLN O=C([O-])[C@]1(F)CC[N@H+](CC(=O)N[C@H](c2ccccc2)c2ccc(Cl)cc2)C1 ZINC000833107765 601441337 /nfs/dbraw/zinc/44/13/37/601441337.db2.gz YDAKCHLYIXQZHH-QUCCMNQESA-N 0 2 390.842 3.044 20 0 GGADLN O=C([O-])[C@]1(F)CC[N@@H+](CC(=O)N[C@H](c2ccccc2)c2ccc(Cl)cc2)C1 ZINC000833107765 601441339 /nfs/dbraw/zinc/44/13/39/601441339.db2.gz YDAKCHLYIXQZHH-QUCCMNQESA-N 0 2 390.842 3.044 20 0 GGADLN O=C([O-])[C@@H]([NH2+][C@H]1CCN(c2c(F)cccc2F)C1=O)c1cccc(Cl)c1 ZINC000833168231 601504399 /nfs/dbraw/zinc/50/43/99/601504399.db2.gz VKBLJXANBRHESX-GJZGRUSLSA-N 0 2 380.778 3.139 20 0 GGADLN CC[C@H]1CN(C)c2ccccc2C[N@@H+]1Cc1nc2cc(C(=O)[O-])ccc2c(=O)[nH]1 ZINC000829141219 601544406 /nfs/dbraw/zinc/54/44/06/601544406.db2.gz KOJCVSTTZBRBKI-INIZCTEOSA-N 0 2 392.459 3.264 20 0 GGADLN CC[C@H]1CN(C)c2ccccc2C[N@H+]1Cc1nc2cc(C(=O)[O-])ccc2c(=O)[nH]1 ZINC000829141219 601544407 /nfs/dbraw/zinc/54/44/07/601544407.db2.gz KOJCVSTTZBRBKI-INIZCTEOSA-N 0 2 392.459 3.264 20 0 GGADLN Cc1c(C(=O)[O-])sc2[nH]c(C[N@@H+]3CC[C@@](C)(c4ccccc4)C3)nc(=O)c12 ZINC000832852769 601544456 /nfs/dbraw/zinc/54/44/56/601544456.db2.gz JQFSFJLCHFAYOI-HXUWFJFHSA-N 0 2 383.473 3.155 20 0 GGADLN Cc1c(C(=O)[O-])sc2[nH]c(C[N@H+]3CC[C@@](C)(c4ccccc4)C3)nc(=O)c12 ZINC000832852769 601544457 /nfs/dbraw/zinc/54/44/57/601544457.db2.gz JQFSFJLCHFAYOI-HXUWFJFHSA-N 0 2 383.473 3.155 20 0 GGADLN O=C([O-])[C@]1(F)CC[N@H+](CC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000833104920 601552115 /nfs/dbraw/zinc/55/21/15/601552115.db2.gz GAONDRQWFKGFQK-PBHICJAKSA-N 0 2 389.254 3.156 20 0 GGADLN O=C([O-])[C@]1(F)CC[N@@H+](CC(=O)N2CCC[C@@H]2c2ccc(Cl)c(Cl)c2)C1 ZINC000833104920 601552116 /nfs/dbraw/zinc/55/21/16/601552116.db2.gz GAONDRQWFKGFQK-PBHICJAKSA-N 0 2 389.254 3.156 20 0 GGADLN O=C([O-])CC[N@@H+](Cc1ccncc1)Cn1ccn(Cc2ccccc2)c1=S ZINC000833233576 601561184 /nfs/dbraw/zinc/56/11/84/601561184.db2.gz CFEWGMMJUOWNLG-UHFFFAOYSA-N 0 2 382.489 3.397 20 0 GGADLN O=C([O-])CC[N@H+](Cc1ccncc1)Cn1ccn(Cc2ccccc2)c1=S ZINC000833233576 601561186 /nfs/dbraw/zinc/56/11/86/601561186.db2.gz CFEWGMMJUOWNLG-UHFFFAOYSA-N 0 2 382.489 3.397 20 0 GGADLN CO[C@@H]1CC[N@H+](CC(=O)Nc2scc(-c3ccccc3Cl)c2C(=O)[O-])C1 ZINC000831841651 601566548 /nfs/dbraw/zinc/56/65/48/601566548.db2.gz JLBGSNUCADVIKU-LLVKDONJSA-N 0 2 394.880 3.426 20 0 GGADLN CO[C@@H]1CC[N@@H+](CC(=O)Nc2scc(-c3ccccc3Cl)c2C(=O)[O-])C1 ZINC000831841651 601566550 /nfs/dbraw/zinc/56/65/50/601566550.db2.gz JLBGSNUCADVIKU-LLVKDONJSA-N 0 2 394.880 3.426 20 0 GGADLN O=C([O-])c1cn(CC(=O)OCc2ccc(-n3cc[nH+]c3)cc2)c2ccccc12 ZINC000833122239 601589578 /nfs/dbraw/zinc/58/95/78/601589578.db2.gz UMEKYULJRDEGPR-UHFFFAOYSA-N 0 2 375.384 3.269 20 0 GGADLN Cc1cc(C(=O)C[N@H+](CC(=O)[O-])C2CCOCC2)c(C)n1[C@@H](C)c1ccccc1 ZINC000832858287 601596094 /nfs/dbraw/zinc/59/60/94/601596094.db2.gz ASSDHUTUCXKBMV-KRWDZBQOSA-N 0 2 398.503 3.463 20 0 GGADLN Cc1cc(C(=O)C[N@@H+](CC(=O)[O-])C2CCOCC2)c(C)n1[C@@H](C)c1ccccc1 ZINC000832858287 601596096 /nfs/dbraw/zinc/59/60/96/601596096.db2.gz ASSDHUTUCXKBMV-KRWDZBQOSA-N 0 2 398.503 3.463 20 0 GGADLN Cc1cc(C(=O)C[N@H+](CC(=O)[O-])C2CCOCC2)c(C)n1[C@H](C)c1ccccc1 ZINC000832858289 601596323 /nfs/dbraw/zinc/59/63/23/601596323.db2.gz ASSDHUTUCXKBMV-QGZVFWFLSA-N 0 2 398.503 3.463 20 0 GGADLN Cc1cc(C(=O)C[N@@H+](CC(=O)[O-])C2CCOCC2)c(C)n1[C@H](C)c1ccccc1 ZINC000832858289 601596325 /nfs/dbraw/zinc/59/63/25/601596325.db2.gz ASSDHUTUCXKBMV-QGZVFWFLSA-N 0 2 398.503 3.463 20 0 GGADLN Cc1sc(C(=O)[O-])cc1C[NH+]1CCN(C(=O)Cc2ccc(Cl)cc2)CC1 ZINC000833032667 601620060 /nfs/dbraw/zinc/62/00/60/601620060.db2.gz LFIPXAOFNOMPDK-UHFFFAOYSA-N 0 2 392.908 3.295 20 0 GGADLN O=C([O-])c1ccc(C[NH+]2CCN(Cc3cnn(-c4ccccc4)c3)CC2)cc1F ZINC000833314803 601631521 /nfs/dbraw/zinc/63/15/21/601631521.db2.gz YIWPYCXEWSHXSD-UHFFFAOYSA-N 0 2 394.450 3.027 20 0 GGADLN O=C([O-])c1ccc(CN2CC[NH+](Cc3cnn(-c4ccccc4)c3)CC2)cc1F ZINC000833314803 601631523 /nfs/dbraw/zinc/63/15/23/601631523.db2.gz YIWPYCXEWSHXSD-UHFFFAOYSA-N 0 2 394.450 3.027 20 0 GGADLN O=C([O-])c1ccc(C[NH+]2CCN([C@H](CO)c3ccc(Cl)cc3)CC2)cc1F ZINC000833313609 601636944 /nfs/dbraw/zinc/63/69/44/601636944.db2.gz BFIQIPJCHBARPF-LJQANCHMSA-N 0 2 392.858 3.029 20 0 GGADLN Cn1c[nH+]cc1CSc1nc2ccccc2c(=O)n1CCCCCC(=O)[O-] ZINC000833059253 601782855 /nfs/dbraw/zinc/78/28/55/601782855.db2.gz YSCOIJMWUPNAMS-UHFFFAOYSA-N 0 2 386.477 3.067 20 0 GGADLN O=C([O-])CCC1CC[NH+](Cn2nc(N3CCCCC3)n(C3CC3)c2=S)CC1 ZINC000833225378 601799359 /nfs/dbraw/zinc/79/93/59/601799359.db2.gz IQVFHZQTQJERPJ-UHFFFAOYSA-N 0 2 393.557 3.274 20 0 GGADLN Cc1cn(C[NH+]2CCC(CCC(=O)[O-])CC2)c(=O)n1-c1ccc(Cl)cc1 ZINC000832985371 601799499 /nfs/dbraw/zinc/79/94/99/601799499.db2.gz MJMRFHVKNVISKZ-UHFFFAOYSA-N 0 2 377.872 3.135 20 0 GGADLN C[N@H+](CC(=O)Nc1ccccc1Br)Cc1ccsc1C(=O)[O-] ZINC000830683974 601804554 /nfs/dbraw/zinc/80/45/54/601804554.db2.gz VEJLMATYITYTLB-UHFFFAOYSA-N 0 2 383.267 3.279 20 0 GGADLN C[N@@H+](CC(=O)Nc1ccccc1Br)Cc1ccsc1C(=O)[O-] ZINC000830683974 601804555 /nfs/dbraw/zinc/80/45/55/601804555.db2.gz VEJLMATYITYTLB-UHFFFAOYSA-N 0 2 383.267 3.279 20 0 GGADLN O=C([O-])c1sccc1C[NH+]1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1 ZINC000833348449 601806971 /nfs/dbraw/zinc/80/69/71/601806971.db2.gz KWCFMCRQEKRKKE-UHFFFAOYSA-N 0 2 398.406 3.423 20 0 GGADLN O=C([O-])c1sccc1C[NH+]1CCN(C(=O)c2ccccc2OC(F)F)CC1 ZINC000833348901 601806981 /nfs/dbraw/zinc/80/69/81/601806981.db2.gz UOMWJUGNGDEXSQ-UHFFFAOYSA-N 0 2 396.415 3.006 20 0 GGADLN C[C@@H]1C[N@H+](Cn2nc(-c3ccccc3)n(Cc3ccco3)c2=S)C[C@@H]1C(=O)[O-] ZINC000828462007 601814315 /nfs/dbraw/zinc/81/43/15/601814315.db2.gz FYLDJOGPKYEJCM-PBHICJAKSA-N 0 2 398.488 3.332 20 0 GGADLN C[C@@H]1C[N@@H+](Cn2nc(-c3ccccc3)n(Cc3ccco3)c2=S)C[C@@H]1C(=O)[O-] ZINC000828462007 601814316 /nfs/dbraw/zinc/81/43/16/601814316.db2.gz FYLDJOGPKYEJCM-PBHICJAKSA-N 0 2 398.488 3.332 20 0 GGADLN C[C@H]1C[N@H+](Cn2nc(-c3ccco3)n(Cc3ccccc3)c2=S)C[C@H]1C(=O)[O-] ZINC000828461596 601816199 /nfs/dbraw/zinc/81/61/99/601816199.db2.gz ANDOAQMRQNEFKC-GOEBONIOSA-N 0 2 398.488 3.332 20 0 GGADLN C[C@H]1C[N@@H+](Cn2nc(-c3ccco3)n(Cc3ccccc3)c2=S)C[C@H]1C(=O)[O-] ZINC000828461596 601816200 /nfs/dbraw/zinc/81/62/00/601816200.db2.gz ANDOAQMRQNEFKC-GOEBONIOSA-N 0 2 398.488 3.332 20 0 GGADLN C[C@H]1C[N@H+](Cn2nc(-c3ccc(OC(F)F)cc3)oc2=S)C[C@H]1C(=O)[O-] ZINC000828465396 601816224 /nfs/dbraw/zinc/81/62/24/601816224.db2.gz XRVOJRLVWXXGAH-JOYOIKCWSA-N 0 2 385.392 3.084 20 0 GGADLN C[C@H]1C[N@@H+](Cn2nc(-c3ccc(OC(F)F)cc3)oc2=S)C[C@H]1C(=O)[O-] ZINC000828465396 601816226 /nfs/dbraw/zinc/81/62/26/601816226.db2.gz XRVOJRLVWXXGAH-JOYOIKCWSA-N 0 2 385.392 3.084 20 0 GGADLN C[C@H]1C[N@H+](Cn2nc(-c3cccc(Br)c3)oc2=S)C[C@@H]1C(=O)[O-] ZINC000828461532 601817040 /nfs/dbraw/zinc/81/70/40/601817040.db2.gz ACROWNVVRJSUCW-CABZTGNLSA-N 0 2 398.282 3.245 20 0 GGADLN C[C@H]1C[N@@H+](Cn2nc(-c3cccc(Br)c3)oc2=S)C[C@@H]1C(=O)[O-] ZINC000828461532 601817041 /nfs/dbraw/zinc/81/70/41/601817041.db2.gz ACROWNVVRJSUCW-CABZTGNLSA-N 0 2 398.282 3.245 20 0 GGADLN C[C@H]1C[N@H+](Cn2nc(-c3ccncc3)n(-c3ccccc3)c2=S)C[C@@H]1C(=O)[O-] ZINC000828461919 601818784 /nfs/dbraw/zinc/81/87/84/601818784.db2.gz FFLZKXCBILOFGY-YOEHRIQHSA-N 0 2 395.488 3.075 20 0 GGADLN C[C@H]1C[N@@H+](Cn2nc(-c3ccncc3)n(-c3ccccc3)c2=S)C[C@@H]1C(=O)[O-] ZINC000828461919 601818786 /nfs/dbraw/zinc/81/87/86/601818786.db2.gz FFLZKXCBILOFGY-YOEHRIQHSA-N 0 2 395.488 3.075 20 0 GGADLN O=C([O-])c1cc(S(=O)(=O)Nc2ccc(-c3[nH]cc[nH+]3)cc2)ccc1Cl ZINC000833304002 601844224 /nfs/dbraw/zinc/84/42/24/601844224.db2.gz HDWTXOWKINFTCT-UHFFFAOYSA-N 0 2 377.809 3.229 20 0 GGADLN O=C([O-])CCC1CC[NH+](Cc2nc3cc(C(F)(F)F)ccc3c(=O)[nH]2)CC1 ZINC000833225937 601845868 /nfs/dbraw/zinc/84/58/68/601845868.db2.gz VYGOYNFNBWVROU-UHFFFAOYSA-N 0 2 383.370 3.431 20 0 GGADLN CCC[N@@H+]1Cc2cccc(NS(=O)(=O)c3cccc(F)c3C(=O)[O-])c2C1 ZINC000829508191 601860945 /nfs/dbraw/zinc/86/09/45/601860945.db2.gz OXPBICVJFWLMCT-UHFFFAOYSA-N 0 2 378.425 3.050 20 0 GGADLN CCC[N@H+]1Cc2cccc(NS(=O)(=O)c3cccc(F)c3C(=O)[O-])c2C1 ZINC000829508191 601860946 /nfs/dbraw/zinc/86/09/46/601860946.db2.gz OXPBICVJFWLMCT-UHFFFAOYSA-N 0 2 378.425 3.050 20 0 GGADLN O=C([O-])c1cccc(N2CC(=O)N(C[N@@H+]3CCC[C@H]3c3cccs3)C2=O)c1 ZINC000833330423 601872772 /nfs/dbraw/zinc/87/27/72/601872772.db2.gz SJPDZCJZRBXWHI-HNNXBMFYSA-N 0 2 385.445 3.010 20 0 GGADLN O=C([O-])c1cccc(N2CC(=O)N(C[N@H+]3CCC[C@H]3c3cccs3)C2=O)c1 ZINC000833330423 601872775 /nfs/dbraw/zinc/87/27/75/601872775.db2.gz SJPDZCJZRBXWHI-HNNXBMFYSA-N 0 2 385.445 3.010 20 0 GGADLN O=C([O-])c1cccc(N2CC(=O)N(C[N@@H+]3CCC[C@@H]3c3ccsc3)C2=O)c1 ZINC000833330452 601874633 /nfs/dbraw/zinc/87/46/33/601874633.db2.gz UCUFBCHOUPJQRT-MRXNPFEDSA-N 0 2 385.445 3.010 20 0 GGADLN O=C([O-])c1cccc(N2CC(=O)N(C[N@H+]3CCC[C@@H]3c3ccsc3)C2=O)c1 ZINC000833330452 601874634 /nfs/dbraw/zinc/87/46/34/601874634.db2.gz UCUFBCHOUPJQRT-MRXNPFEDSA-N 0 2 385.445 3.010 20 0 GGADLN C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)NCc3cccc(C(=O)[O-])c3)n2)C1 ZINC000669493867 601885324 /nfs/dbraw/zinc/88/53/24/601885324.db2.gz JPKHJSOJLVXVDA-CYBMUJFWSA-N 0 2 388.493 3.395 20 0 GGADLN C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)NCc3cccc(C(=O)[O-])c3)n2)C1 ZINC000669493867 601885325 /nfs/dbraw/zinc/88/53/25/601885325.db2.gz JPKHJSOJLVXVDA-CYBMUJFWSA-N 0 2 388.493 3.395 20 0 GGADLN COc1ccc(Cl)cc1-c1nc(=S)n(C[N@@H+]2CC[C@@](C)(C(=O)[O-])C2)[nH]1 ZINC000832363143 601889730 /nfs/dbraw/zinc/88/97/30/601889730.db2.gz WSBJQTHGBDYTGG-MRXNPFEDSA-N 0 2 382.873 3.024 20 0 GGADLN COc1ccc(Cl)cc1-c1nc(=S)n(C[N@H+]2CC[C@@](C)(C(=O)[O-])C2)[nH]1 ZINC000832363143 601889732 /nfs/dbraw/zinc/88/97/32/601889732.db2.gz WSBJQTHGBDYTGG-MRXNPFEDSA-N 0 2 382.873 3.024 20 0 GGADLN C[C@@]1(C(=O)[O-])CC[N@H+](Cn2nc(-c3ccccc3F)n(C3CC3)c2=S)C1 ZINC000828028837 601890571 /nfs/dbraw/zinc/89/05/71/601890571.db2.gz DXXPIGSXTKKSAR-GOSISDBHSA-N 0 2 376.457 3.309 20 0 GGADLN C[C@@]1(C(=O)[O-])CC[N@@H+](Cn2nc(-c3ccccc3F)n(C3CC3)c2=S)C1 ZINC000828028837 601890575 /nfs/dbraw/zinc/89/05/75/601890575.db2.gz DXXPIGSXTKKSAR-GOSISDBHSA-N 0 2 376.457 3.309 20 0 GGADLN C[N@H+](CC(=O)Nc1cccc(C(=O)[O-])c1)Cc1cccc(OC(F)(F)F)c1 ZINC000830682283 601910496 /nfs/dbraw/zinc/91/04/96/601910496.db2.gz SYJPJWXCVUNNNY-UHFFFAOYSA-N 0 2 382.338 3.354 20 0 GGADLN C[N@@H+](CC(=O)Nc1cccc(C(=O)[O-])c1)Cc1cccc(OC(F)(F)F)c1 ZINC000830682283 601910498 /nfs/dbraw/zinc/91/04/98/601910498.db2.gz SYJPJWXCVUNNNY-UHFFFAOYSA-N 0 2 382.338 3.354 20 0 GGADLN CCc1noc(C)c1C[NH+]1CCN([C@H](C(=O)[O-])c2ccc(Cl)cc2)CC1 ZINC000830344401 601941155 /nfs/dbraw/zinc/94/11/55/601941155.db2.gz SBZREBVDKZFFFF-SFHVURJKSA-N 0 2 377.872 3.142 20 0 GGADLN C[C@H](c1nc(-c2ccccc2)no1)N1CC[NH+](Cc2ccc(C(=O)[O-])s2)CC1 ZINC000827958618 601943262 /nfs/dbraw/zinc/94/32/62/601943262.db2.gz ZJPDREWGWDRULL-CQSZACIVSA-N 0 2 398.488 3.375 20 0 GGADLN O=C([O-])c1ccc(C[NH+]2CCN(C(=O)c3cccc(C(F)(F)F)c3)CC2)s1 ZINC000833314635 601944165 /nfs/dbraw/zinc/94/41/65/601944165.db2.gz VZRYHJLLUYEUOO-UHFFFAOYSA-N 0 2 398.406 3.423 20 0 GGADLN C[C@@H]([NH2+][C@H](C(=O)[O-])c1cc(Cl)cc(Cl)c1)C(=O)NCc1ccccc1 ZINC000827709492 601972315 /nfs/dbraw/zinc/97/23/15/601972315.db2.gz AELONZOKOPGRIF-BZNIZROVSA-N 0 2 381.259 3.414 20 0 GGADLN O=C([O-])Nc1cc(C(=O)NCCCNc2cccc[nH+]2)cc(C(F)(F)F)c1 ZINC000833282181 602015039 /nfs/dbraw/zinc/01/50/39/602015039.db2.gz UDZFGCKTXYCMRC-UHFFFAOYSA-N 0 2 382.342 3.422 20 0 GGADLN CCOC(=O)N1CCC[N@@H+]([C@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)CC1 ZINC000829862221 602036914 /nfs/dbraw/zinc/03/69/14/602036914.db2.gz ZATYONPQIOHWRD-AWEZNQCLSA-N 0 2 375.252 3.283 20 0 GGADLN CCOC(=O)N1CCC[N@H+]([C@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)CC1 ZINC000829862221 602036919 /nfs/dbraw/zinc/03/69/19/602036919.db2.gz ZATYONPQIOHWRD-AWEZNQCLSA-N 0 2 375.252 3.283 20 0 GGADLN CCOC(=O)N1CCC[N@@H+]([C@@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)CC1 ZINC000829862222 602036957 /nfs/dbraw/zinc/03/69/57/602036957.db2.gz ZATYONPQIOHWRD-CQSZACIVSA-N 0 2 375.252 3.283 20 0 GGADLN CCOC(=O)N1CCC[N@H+]([C@@H](C(=O)[O-])c2cc(Cl)cc(Cl)c2)CC1 ZINC000829862222 602036959 /nfs/dbraw/zinc/03/69/59/602036959.db2.gz ZATYONPQIOHWRD-CQSZACIVSA-N 0 2 375.252 3.283 20 0 GGADLN C[C@@H](CC(=O)[O-])C(=O)N1CC[NH+](Cc2ccc(-c3ccccc3F)s2)CC1 ZINC000827262031 602087965 /nfs/dbraw/zinc/08/79/65/602087965.db2.gz DSXJBVFEIJPSHC-AWEZNQCLSA-N 0 2 390.480 3.309 20 0 GGADLN C[C@H](CC(=O)[O-])C(=O)NCc1ccccc1-c1ccc(Cn2cc[nH+]c2)cc1 ZINC000827295187 602147639 /nfs/dbraw/zinc/14/76/39/602147639.db2.gz GBKGRKCZTUEBMM-MRXNPFEDSA-N 0 2 377.444 3.325 20 0 GGADLN O=C([O-])c1cc(S(=O)(=O)Nc2ccc3[nH]c(C4CCC4)[nH+]c3c2)ccc1F ZINC000833306022 602169199 /nfs/dbraw/zinc/16/91/99/602169199.db2.gz KZZADHDGJVFRLB-UHFFFAOYSA-N 0 2 389.408 3.469 20 0 GGADLN C[C@H]1C[N@H+](Cn2nc(-c3ccccn3)n(-c3ccccc3)c2=S)C[C@H]1C(=O)[O-] ZINC000828464357 602198316 /nfs/dbraw/zinc/19/83/16/602198316.db2.gz UDPNLJBQOIKVDK-GOEBONIOSA-N 0 2 395.488 3.075 20 0 GGADLN C[C@H]1C[N@@H+](Cn2nc(-c3ccccn3)n(-c3ccccc3)c2=S)C[C@H]1C(=O)[O-] ZINC000828464357 602198318 /nfs/dbraw/zinc/19/83/18/602198318.db2.gz UDPNLJBQOIKVDK-GOEBONIOSA-N 0 2 395.488 3.075 20 0 GGADLN O=C([O-])COc1ccc(NC(=O)NCc2cn3c([nH+]2)CCCC3)c2ccccc12 ZINC000833258612 602227144 /nfs/dbraw/zinc/22/71/44/602227144.db2.gz RZTIPSPHLZAUHG-UHFFFAOYSA-N 0 2 394.431 3.158 20 0 GGADLN Cc1[nH+]c2n(c1C)CCN(C(=O)Nc1ccc(OCC(=O)[O-])c3ccccc13)C2 ZINC000833007903 602229718 /nfs/dbraw/zinc/22/97/18/602229718.db2.gz ULEUCMYOVIMZFF-UHFFFAOYSA-N 0 2 394.431 3.164 20 0 GGADLN C[C@H](C[NH+]1CCOCC1)N(Cc1ccccc1)C(=O)c1cccc(NC(=O)[O-])c1 ZINC000736586655 602265379 /nfs/dbraw/zinc/26/53/79/602265379.db2.gz OGMJUNRGRIKDSQ-QGZVFWFLSA-N 0 2 397.475 3.140 20 0 GGADLN Cc1cc(N2CCN(C(=O)Nc3cc(C(=O)[O-])cs3)CC2)nc(C(C)C)[nH+]1 ZINC000832891460 602290023 /nfs/dbraw/zinc/29/00/23/602290023.db2.gz UNJDBIHKKUNBDD-UHFFFAOYSA-N 0 2 389.481 3.022 20 0 GGADLN CC(C)c1cnc(C[N@H+](C)[C@H]2CCN(C(=O)CCc3ccc(C(=O)[O-])cc3)C2)o1 ZINC000827139771 602316939 /nfs/dbraw/zinc/31/69/39/602316939.db2.gz PKSSMUVVAVOBKN-SFHVURJKSA-N 0 2 399.491 3.162 20 0 GGADLN CC(C)c1cnc(C[N@@H+](C)[C@H]2CCN(C(=O)CCc3ccc(C(=O)[O-])cc3)C2)o1 ZINC000827139771 602316942 /nfs/dbraw/zinc/31/69/42/602316942.db2.gz PKSSMUVVAVOBKN-SFHVURJKSA-N 0 2 399.491 3.162 20 0 GGADLN COc1cc2c(cc1OC)[C@H](CC(=O)[O-])[N@H+](Cc1c(C)nc3ccccn31)CC2 ZINC000832103495 602325491 /nfs/dbraw/zinc/32/54/91/602325491.db2.gz SXJKGKHOYPGTPR-KRWDZBQOSA-N 0 2 395.459 3.234 20 0 GGADLN COc1cc2c(cc1OC)[C@H](CC(=O)[O-])[N@@H+](Cc1c(C)nc3ccccn31)CC2 ZINC000832103495 602325494 /nfs/dbraw/zinc/32/54/94/602325494.db2.gz SXJKGKHOYPGTPR-KRWDZBQOSA-N 0 2 395.459 3.234 20 0 GGADLN CC(C)c1cnc(C[N@H+](C)[C@@H]2CCN(C(=O)Nc3ccc(C(=O)[O-])cc3)C2)o1 ZINC000827140063 602350999 /nfs/dbraw/zinc/35/09/99/602350999.db2.gz XOJCNPSBSBRHSV-MRXNPFEDSA-N 0 2 386.452 3.234 20 0 GGADLN CC(C)c1cnc(C[N@@H+](C)[C@@H]2CCN(C(=O)Nc3ccc(C(=O)[O-])cc3)C2)o1 ZINC000827140063 602351001 /nfs/dbraw/zinc/35/10/01/602351001.db2.gz XOJCNPSBSBRHSV-MRXNPFEDSA-N 0 2 386.452 3.234 20 0 GGADLN C[C@H]1CCN(C(=O)Nc2cccc(CSCC(=O)[O-])c2)C[C@@H]1n1cc[nH+]c1 ZINC000828278068 602352918 /nfs/dbraw/zinc/35/29/18/602352918.db2.gz OIYUQVIJDZFFHP-YOEHRIQHSA-N 0 2 388.493 3.316 20 0 GGADLN O=C([O-])CCSCc1cccc(NC(=O)NCc2ccn3cc[nH+]c3c2)c1 ZINC000833240024 602365041 /nfs/dbraw/zinc/36/50/41/602365041.db2.gz OPUUKTJTHUHMNB-UHFFFAOYSA-N 0 2 384.461 3.364 20 0 GGADLN Cn1cc[nH+]c1C[C@H](NC(=O)Nc1ccc(C(=O)[O-])c(F)c1)c1ccccc1 ZINC000833059385 602390863 /nfs/dbraw/zinc/39/08/63/602390863.db2.gz ZDBPPMFUOZLNPN-KRWDZBQOSA-N 0 2 382.395 3.363 20 0 GGADLN Cc1ccc(C(=O)[O-])cc1S(=O)(=O)N(Cc1ccccc1)c1cc[nH+]cc1 ZINC000832918195 602396560 /nfs/dbraw/zinc/39/65/60/602396560.db2.gz BNGLIKPIHIPBRY-UHFFFAOYSA-N 0 2 382.441 3.484 20 0 GGADLN Cc1c(C(=O)[O-])cccc1S(=O)(=O)N(Cc1ccccc1)c1cc[nH+]cc1 ZINC000832852082 602396565 /nfs/dbraw/zinc/39/65/65/602396565.db2.gz PECDFOZJOUYYKE-UHFFFAOYSA-N 0 2 382.441 3.484 20 0 GGADLN O=C([O-])c1ccc(CS(=O)(=O)N(Cc2ccccc2)c2cc[nH+]cc2)cc1 ZINC000833315247 602401423 /nfs/dbraw/zinc/40/14/23/602401423.db2.gz PDQLKHFWJGBUHY-UHFFFAOYSA-N 0 2 382.441 3.316 20 0 GGADLN Cc1ccc(C=Cc2n[nH]c(SCC(=O)c3cccc(-c4nn[nH]n4)c3)n2)o1 ZINC000826285809 607657229 /nfs/dbraw/zinc/65/72/29/607657229.db2.gz KKOMVQHDYJZNIW-FPLPWBNLSA-N 0 2 393.432 3.032 20 0 GGADLN CCOC(=O)c1c[nH+]c2ccc(OC)cc2c1N1CCC2(C[C@@H]2C(=O)[O-])CC1 ZINC000829890541 604267444 /nfs/dbraw/zinc/26/74/44/604267444.db2.gz XYGGTQHTCOPKET-MRXNPFEDSA-N 0 2 384.432 3.111 20 0 GGADLN C[C@@H]1C[NH+](Cc2ccccc2NC(=O)c2ccc(C(=O)[O-])c(F)c2)C[C@@H](C)O1 ZINC000828461999 604284441 /nfs/dbraw/zinc/28/44/41/604284441.db2.gz FYCFQGWQDIPBPR-ZIAGYGMSSA-N 0 2 386.423 3.385 20 0 GGADLN O=C([O-])[C@@H](c1cccc(Cl)c1)N1CC[NH+](C[C@@H]2CC2(Cl)Cl)CC1 ZINC000833173740 604358229 /nfs/dbraw/zinc/35/82/29/604358229.db2.gz VMOVNPFWUSJDRD-GXTWGEPZSA-N 0 2 377.699 3.277 20 0 GGADLN Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)Nc1nc(C[N@H+]2CCC[C@H](C)C2)cs1 ZINC000832847027 604366816 /nfs/dbraw/zinc/36/68/16/604366816.db2.gz FCLUDWSPTNVFSI-JTQLQIEISA-N 0 2 376.482 3.270 20 0 GGADLN Cc1[nH]c(C(=O)[O-])c(C)c1C(=O)Nc1nc(C[N@@H+]2CCC[C@H](C)C2)cs1 ZINC000832847027 604366821 /nfs/dbraw/zinc/36/68/21/604366821.db2.gz FCLUDWSPTNVFSI-JTQLQIEISA-N 0 2 376.482 3.270 20 0 GGADLN CCc1ccccc1NC(=O)CN1CC[NH+]([C@@H](C)c2cc(C)c(C(=O)[O-])o2)CC1 ZINC000830282187 604381513 /nfs/dbraw/zinc/38/15/13/604381513.db2.gz LVMGMGYWBNRLMI-INIZCTEOSA-N 0 2 399.491 3.166 20 0 GGADLN Cc1ccccc1NC(=O)Cc1nc(C[N@@H+](C)C2(C(=O)[O-])CCCC2)cs1 ZINC000832978418 604455725 /nfs/dbraw/zinc/45/57/25/604455725.db2.gz DVTCYDPNUQAVPG-UHFFFAOYSA-N 0 2 387.505 3.462 20 0 GGADLN Cc1ccccc1NC(=O)Cc1nc(C[N@H+](C)C2(C(=O)[O-])CCCC2)cs1 ZINC000832978418 604455728 /nfs/dbraw/zinc/45/57/28/604455728.db2.gz DVTCYDPNUQAVPG-UHFFFAOYSA-N 0 2 387.505 3.462 20 0 GGADLN O=C([O-])c1c(N2CC[C@@H](c3ccco3)C2)nc[nH+]c1N1CC[C@@H](c2ccco2)C1 ZINC000833293593 604461596 /nfs/dbraw/zinc/46/15/96/604461596.db2.gz DIWCGFIXKSHJOV-HUUCEWRRSA-N 0 2 394.431 3.349 20 0 GGADLN C[N@H+](Cc1nnc(-c2ccc(Br)s2)o1)C1(C(=O)[O-])CCCC1 ZINC000320634324 604463562 /nfs/dbraw/zinc/46/35/62/604463562.db2.gz UEKAZYKDXYVQPM-UHFFFAOYSA-N 0 2 386.271 3.390 20 0 GGADLN C[N@@H+](Cc1nnc(-c2ccc(Br)s2)o1)C1(C(=O)[O-])CCCC1 ZINC000320634324 604463564 /nfs/dbraw/zinc/46/35/64/604463564.db2.gz UEKAZYKDXYVQPM-UHFFFAOYSA-N 0 2 386.271 3.390 20 0 GGADLN COC(=O)[C@@H](c1cccc(C(=O)[O-])c1)[NH+]1CCC([C@@H](O)c2ccccc2)CC1 ZINC000833700843 604471485 /nfs/dbraw/zinc/47/14/85/604471485.db2.gz FWCDHPCSCDRSLL-UXHICEINSA-N 0 2 383.444 3.045 20 0 GGADLN COC(=O)[C@@H](c1cccc(C(=O)[O-])c1)[NH+]1CCC(N(C)c2ccccc2)CC1 ZINC000833700768 604478541 /nfs/dbraw/zinc/47/85/41/604478541.db2.gz FLQNVQMRIKNWQG-HXUWFJFHSA-N 0 2 382.460 3.200 20 0 GGADLN COC(=O)[C@H](c1cccc(C(=O)[O-])c1)[NH+]1CCC(c2nc3ccccc3[nH]2)CC1 ZINC000833702464 604483815 /nfs/dbraw/zinc/48/38/15/604483815.db2.gz UUIZWMPCKPKFJG-IBGZPJMESA-N 0 2 393.443 3.355 20 0 GGADLN COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])[N@H+](Cc1nn(C)c3ccccc13)CC2 ZINC000833730231 604520899 /nfs/dbraw/zinc/52/08/99/604520899.db2.gz NMKUJTPIOBFGMH-LJQANCHMSA-N 0 2 395.459 3.165 20 0 GGADLN COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])[N@@H+](Cc1nn(C)c3ccccc13)CC2 ZINC000833730231 604520902 /nfs/dbraw/zinc/52/09/02/604520902.db2.gz NMKUJTPIOBFGMH-LJQANCHMSA-N 0 2 395.459 3.165 20 0 GGADLN C[N@@H+]1CC[C@H](NC(=O)c2ccc(C(=O)[O-])cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000263418381 604527938 /nfs/dbraw/zinc/52/79/38/604527938.db2.gz KMSYJFYAIGYWAW-IRXDYDNUSA-N 0 2 376.815 3.353 20 0 GGADLN C[N@H+]1CC[C@H](NC(=O)c2ccc(C(=O)[O-])cc2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000263418381 604527941 /nfs/dbraw/zinc/52/79/41/604527941.db2.gz KMSYJFYAIGYWAW-IRXDYDNUSA-N 0 2 376.815 3.353 20 0 GGADLN CC(C)C[C@H](NC(=O)[O-])C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000833478399 604529358 /nfs/dbraw/zinc/52/93/58/604529358.db2.gz DZCSOYRTTOIRBF-HRCADAONSA-N 0 2 385.867 3.023 20 0 GGADLN CC(C)C[C@H](NC(=O)[O-])C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000833478399 604529361 /nfs/dbraw/zinc/52/93/61/604529361.db2.gz DZCSOYRTTOIRBF-HRCADAONSA-N 0 2 385.867 3.023 20 0 GGADLN Cc1[nH]c(C(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccc(Cl)c(F)c2)c(C)c1C(=O)[O-] ZINC000833740057 604529835 /nfs/dbraw/zinc/52/98/35/604529835.db2.gz NOQSORLXJDULIQ-YOEHRIQHSA-N 0 2 393.846 3.297 20 0 GGADLN Cc1[nH]c(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccc(Cl)c(F)c2)c(C)c1C(=O)[O-] ZINC000833740057 604529838 /nfs/dbraw/zinc/52/98/38/604529838.db2.gz NOQSORLXJDULIQ-YOEHRIQHSA-N 0 2 393.846 3.297 20 0 GGADLN C[N@@H+]1CC[C@H](NC(=O)c2ccc(C(=O)[O-])c(F)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000833697664 604530040 /nfs/dbraw/zinc/53/00/40/604530040.db2.gz IJDDHDUFOLWLKJ-IRXDYDNUSA-N 0 2 394.805 3.492 20 0 GGADLN C[N@H+]1CC[C@H](NC(=O)c2ccc(C(=O)[O-])c(F)c2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000833697664 604530044 /nfs/dbraw/zinc/53/00/44/604530044.db2.gz IJDDHDUFOLWLKJ-IRXDYDNUSA-N 0 2 394.805 3.492 20 0 GGADLN C[C@H](Oc1ccc(C[N@H+](C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)cc1)C(=O)[O-] ZINC000833537744 604530813 /nfs/dbraw/zinc/53/08/13/604530813.db2.gz OMKBBHWYEFCCAO-GJZGRUSLSA-N 0 2 391.489 3.135 20 0 GGADLN C[C@H](Oc1ccc(C[N@@H+](C)[C@@H](C)c2ccc(S(C)(=O)=O)cc2)cc1)C(=O)[O-] ZINC000833537744 604530814 /nfs/dbraw/zinc/53/08/14/604530814.db2.gz OMKBBHWYEFCCAO-GJZGRUSLSA-N 0 2 391.489 3.135 20 0 GGADLN CC(C)[C@@H](C(=O)Nc1cccc(SCCC(=O)[O-])c1)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000833624410 604572143 /nfs/dbraw/zinc/57/21/43/604572143.db2.gz QPLKYBYPEAXPFM-KHYOSLBOSA-N 0 2 394.537 3.326 20 0 GGADLN CC(C)[C@@H](C(=O)Nc1cccc(SCCC(=O)[O-])c1)[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000833624410 604572146 /nfs/dbraw/zinc/57/21/46/604572146.db2.gz QPLKYBYPEAXPFM-KHYOSLBOSA-N 0 2 394.537 3.326 20 0 GGADLN C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)[N@H+]1CC=C(c2ccccc2Cl)CC1 ZINC000833404936 604575717 /nfs/dbraw/zinc/57/57/17/604575717.db2.gz WGFNBIPSUHQAID-CQSZACIVSA-N 0 2 376.884 3.141 20 0 GGADLN C[C@H](C(=O)N1CCC(C(=O)[O-])CC1)[N@@H+]1CC=C(c2ccccc2Cl)CC1 ZINC000833404936 604575719 /nfs/dbraw/zinc/57/57/19/604575719.db2.gz WGFNBIPSUHQAID-CQSZACIVSA-N 0 2 376.884 3.141 20 0 GGADLN C[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)[N@H+]1CC=C(c2ccccc2Cl)CC1 ZINC000833404935 604575780 /nfs/dbraw/zinc/57/57/80/604575780.db2.gz WGFNBIPSUHQAID-AWEZNQCLSA-N 0 2 376.884 3.141 20 0 GGADLN C[C@@H](C(=O)N1CCC(C(=O)[O-])CC1)[N@@H+]1CC=C(c2ccccc2Cl)CC1 ZINC000833404935 604575782 /nfs/dbraw/zinc/57/57/82/604575782.db2.gz WGFNBIPSUHQAID-AWEZNQCLSA-N 0 2 376.884 3.141 20 0 GGADLN CCc1ncc(C[NH+]2CCN([C@@H](C(=O)[O-])c3ccc(Cl)cc3)CC2)s1 ZINC000833677406 604576942 /nfs/dbraw/zinc/57/69/42/604576942.db2.gz OYEBEPYLXMQNDZ-QGZVFWFLSA-N 0 2 379.913 3.302 20 0 GGADLN C[C@@H](c1cccc(NC(=O)NCCc2cccc(C(=O)[O-])c2)c1)[NH+]1CCOCC1 ZINC000833547998 604587787 /nfs/dbraw/zinc/58/77/87/604587787.db2.gz JRXCBRMFFNQTSC-INIZCTEOSA-N 0 2 397.475 3.142 20 0 GGADLN Cn1cc[nH+]c1[C@H]1CCN(C(=O)Nc2ccc(OCC(=O)[O-])c3ccccc23)C1 ZINC000833759585 604598426 /nfs/dbraw/zinc/59/84/26/604598426.db2.gz DXWGTYJPNLPJIY-AWEZNQCLSA-N 0 2 394.431 3.058 20 0 GGADLN O=C([O-])C[C@H](NC(=O)c1cccc2[nH+]ccn21)c1cccc(Br)c1 ZINC000833200178 604599328 /nfs/dbraw/zinc/59/93/28/604599328.db2.gz IZKTTWWJURFKCY-ZDUSSCGKSA-N 0 2 388.221 3.043 20 0 GGADLN O=C([O-])C[C@@H](NC(=O)c1cccc2[nH+]ccn21)c1cccc(Br)c1 ZINC000833200177 604599532 /nfs/dbraw/zinc/59/95/32/604599532.db2.gz IZKTTWWJURFKCY-CYBMUJFWSA-N 0 2 388.221 3.043 20 0 GGADLN C[C@H](Oc1ccc(C[NH+]2CCN(C(=O)CC3CCCCC3)CC2)cc1)C(=O)[O-] ZINC000833540459 604623226 /nfs/dbraw/zinc/62/32/26/604623226.db2.gz KHGKYHPINOMKBO-KRWDZBQOSA-N 0 2 388.508 3.153 20 0 GGADLN CC[C@H](c1ccccc1)[N@H+](CC(=O)[O-])CC(=O)Nc1ccnn1C1CCCC1 ZINC000829025422 604649722 /nfs/dbraw/zinc/64/97/22/604649722.db2.gz CIVKMLSSTGABID-GOSISDBHSA-N 0 2 384.480 3.475 20 0 GGADLN CC[C@H](c1ccccc1)[N@@H+](CC(=O)[O-])CC(=O)Nc1ccnn1C1CCCC1 ZINC000829025422 604649726 /nfs/dbraw/zinc/64/97/26/604649726.db2.gz CIVKMLSSTGABID-GOSISDBHSA-N 0 2 384.480 3.475 20 0 GGADLN CC[C@H](c1ccccc1)[N@H+](CC(=O)[O-])CC(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000829025429 604650763 /nfs/dbraw/zinc/65/07/63/604650763.db2.gz CREZWIUVXOJKMP-JKSUJKDBSA-N 0 2 386.414 3.325 20 0 GGADLN CC[C@H](c1ccccc1)[N@@H+](CC(=O)[O-])CC(=O)N1CCC[C@H](C(F)(F)F)C1 ZINC000829025429 604650766 /nfs/dbraw/zinc/65/07/66/604650766.db2.gz CREZWIUVXOJKMP-JKSUJKDBSA-N 0 2 386.414 3.325 20 0 GGADLN CC(C)C[C@@H](CNC(=O)Nc1cccc2c1CN(c1cccc[nH+]1)C2)C(=O)[O-] ZINC000424377455 604660038 /nfs/dbraw/zinc/66/00/38/604660038.db2.gz DNJCTLLVXLXXTA-INIZCTEOSA-N 0 2 382.464 3.470 20 0 GGADLN O=C([O-])c1ccc(-c2nc(-c3cccc(C[NH+]4CCOCC4)c3)no2)cc1F ZINC000833307594 604763355 /nfs/dbraw/zinc/76/33/55/604763355.db2.gz IWVFCZZOXBSYEJ-UHFFFAOYSA-N 0 2 383.379 3.073 20 0 GGADLN Cc1cc(C)c2c(n1)sn(C[N@H+](CCCC(=O)[O-])Cc1ccccc1)c2=O ZINC000832875095 604764606 /nfs/dbraw/zinc/76/46/06/604764606.db2.gz UHYIVGNMXQIUBA-UHFFFAOYSA-N 0 2 385.489 3.399 20 0 GGADLN Cc1cc(C)c2c(n1)sn(C[N@@H+](CCCC(=O)[O-])Cc1ccccc1)c2=O ZINC000832875095 604764608 /nfs/dbraw/zinc/76/46/08/604764608.db2.gz UHYIVGNMXQIUBA-UHFFFAOYSA-N 0 2 385.489 3.399 20 0 GGADLN CC(C)c1cnc(C[N@H+](C)[C@H]2CCN(C(=O)CCc3ccccc3C(=O)[O-])C2)o1 ZINC000833511198 604782853 /nfs/dbraw/zinc/78/28/53/604782853.db2.gz FPURMUFOABCAMO-KRWDZBQOSA-N 0 2 399.491 3.162 20 0 GGADLN CC(C)c1cnc(C[N@@H+](C)[C@H]2CCN(C(=O)CCc3ccccc3C(=O)[O-])C2)o1 ZINC000833511198 604782857 /nfs/dbraw/zinc/78/28/57/604782857.db2.gz FPURMUFOABCAMO-KRWDZBQOSA-N 0 2 399.491 3.162 20 0 GGADLN Cc1cccc(C2=CC[N@@H+]([C@@H]3CC(=O)N(c4ccsc4C(=O)[O-])C3=O)CC2)c1 ZINC000833752269 604793032 /nfs/dbraw/zinc/79/30/32/604793032.db2.gz FLPYWTFGCPGCGU-QGZVFWFLSA-N 0 2 396.468 3.176 20 0 GGADLN Cc1cccc(C2=CC[N@H+]([C@@H]3CC(=O)N(c4ccsc4C(=O)[O-])C3=O)CC2)c1 ZINC000833752269 604793034 /nfs/dbraw/zinc/79/30/34/604793034.db2.gz FLPYWTFGCPGCGU-QGZVFWFLSA-N 0 2 396.468 3.176 20 0 GGADLN Cc1cc(CNc2ccc(N3C[C@@H](C)O[C@H](C)C3)[nH+]c2)cc(C)c1OCC(=O)[O-] ZINC000832886605 604807217 /nfs/dbraw/zinc/80/72/17/604807217.db2.gz VJWGRNBPZRSRGE-IAGOWNOFSA-N 0 2 399.491 3.388 20 0 GGADLN CC(C)(C(=O)[O-])[C@@H]1CCC[N@H+](Cn2ncn(-c3ccccc3F)c2=S)C1 ZINC000833418949 604866315 /nfs/dbraw/zinc/86/63/15/604866315.db2.gz CSXJZFIHYVXPHB-CYBMUJFWSA-N 0 2 378.473 3.323 20 0 GGADLN CC(C)(C(=O)[O-])[C@@H]1CCC[N@@H+](Cn2ncn(-c3ccccc3F)c2=S)C1 ZINC000833418949 604866317 /nfs/dbraw/zinc/86/63/17/604866317.db2.gz CSXJZFIHYVXPHB-CYBMUJFWSA-N 0 2 378.473 3.323 20 0 GGADLN CC(C)(C(=O)[O-])[C@H]1CCC[N@H+](Cn2nnn(-c3ccc(Cl)cc3)c2=S)C1 ZINC000833419610 604866430 /nfs/dbraw/zinc/86/64/30/604866430.db2.gz RITNXFGXWDAPBK-LBPRGKRZSA-N 0 2 395.916 3.232 20 0 GGADLN CC(C)(C(=O)[O-])[C@H]1CCC[N@@H+](Cn2nnn(-c3ccc(Cl)cc3)c2=S)C1 ZINC000833419610 604866431 /nfs/dbraw/zinc/86/64/31/604866431.db2.gz RITNXFGXWDAPBK-LBPRGKRZSA-N 0 2 395.916 3.232 20 0 GGADLN CC(C)(C)[C@@H]1CCc2sc(C(=O)N[C@@H](Cc3c[nH]c[nH+]3)C(=O)[O-])cc2C1 ZINC000833426457 604896187 /nfs/dbraw/zinc/89/61/87/604896187.db2.gz UMKZBDQHEVYQMV-OCCSQVGLSA-N 0 2 375.494 3.048 20 0 GGADLN CC(C)(C)[C@@H]1CCc2sc(C(=O)N[C@@H](Cc3c[nH+]c[nH]3)C(=O)[O-])cc2C1 ZINC000833426457 604896191 /nfs/dbraw/zinc/89/61/91/604896191.db2.gz UMKZBDQHEVYQMV-OCCSQVGLSA-N 0 2 375.494 3.048 20 0 GGADLN C[C@@H]1CCC[N@H+](Cc2csc(NC(=O)c3ccc(C(=O)[O-])c(F)c3)n2)C1 ZINC000828265434 604923649 /nfs/dbraw/zinc/92/36/49/604923649.db2.gz CAJMULLVFCJTJG-LLVKDONJSA-N 0 2 377.441 3.465 20 0 GGADLN C[C@@H]1CCC[N@@H+](Cc2csc(NC(=O)c3ccc(C(=O)[O-])c(F)c3)n2)C1 ZINC000828265434 604923654 /nfs/dbraw/zinc/92/36/54/604923654.db2.gz CAJMULLVFCJTJG-LLVKDONJSA-N 0 2 377.441 3.465 20 0 GGADLN Cc1cnc(C[N@@H+](C)[C@@H]2CCN(C(=O)Nc3cc(Cl)cc(C(=O)[O-])c3)C2)o1 ZINC000832986311 604957426 /nfs/dbraw/zinc/95/74/26/604957426.db2.gz UXQAEZZLTYWQHF-OAHLLOKOSA-N 0 2 392.843 3.073 20 0 GGADLN Cc1cnc(C[N@H+](C)[C@@H]2CCN(C(=O)Nc3cc(Cl)cc(C(=O)[O-])c3)C2)o1 ZINC000832986311 604957427 /nfs/dbraw/zinc/95/74/27/604957427.db2.gz UXQAEZZLTYWQHF-OAHLLOKOSA-N 0 2 392.843 3.073 20 0 GGADLN CC(C)C[C@H](NC(=O)C[NH2+][C@H](c1cccc(Cl)c1)c1ccccn1)C(=O)[O-] ZINC000833480080 604961876 /nfs/dbraw/zinc/96/18/76/604961876.db2.gz GGALEXKRPZHBAW-PKOBYXMFSA-N 0 2 389.883 3.030 20 0 GGADLN COc1ccc(Cl)cc1-c1nc(=S)n(C[N@@H+]2CCC[C@H]2CC(=O)[O-])[nH]1 ZINC000832362434 604976197 /nfs/dbraw/zinc/97/61/97/604976197.db2.gz HMTKAMCYNZNYNJ-NSHDSACASA-N 0 2 382.873 3.166 20 0 GGADLN COc1ccc(Cl)cc1-c1nc(=S)n(C[N@H+]2CCC[C@H]2CC(=O)[O-])[nH]1 ZINC000832362434 604976198 /nfs/dbraw/zinc/97/61/98/604976198.db2.gz HMTKAMCYNZNYNJ-NSHDSACASA-N 0 2 382.873 3.166 20 0 GGADLN O=C([O-])C[C@H]1CCC[N@@H+]1Cn1nc(-c2ccncc2)n(Cc2ccco2)c1=S ZINC000833211429 604983249 /nfs/dbraw/zinc/98/32/49/604983249.db2.gz HMXCRCLGYKTKIM-OAHLLOKOSA-N 0 2 399.476 3.014 20 0 GGADLN O=C([O-])C[C@H]1CCC[N@H+]1Cn1nc(-c2ccncc2)n(Cc2ccco2)c1=S ZINC000833211429 604983253 /nfs/dbraw/zinc/98/32/53/604983253.db2.gz HMXCRCLGYKTKIM-OAHLLOKOSA-N 0 2 399.476 3.014 20 0 GGADLN Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)NCC2(C(=O)[O-])CCCC2)c(C)c1 ZINC000833748994 604992724 /nfs/dbraw/zinc/99/27/24/604992724.db2.gz KAPVFGDRSRGGBK-GOSISDBHSA-N 0 2 384.480 3.185 20 0 GGADLN Cc1ccc([C@@H](Cn2cc[nH+]c2)NC(=O)N2CCC(CC(=O)[O-])CC2)c(C)c1 ZINC000833749658 605007984 /nfs/dbraw/zinc/00/79/84/605007984.db2.gz VXOOTYQHWXYIHF-LJQANCHMSA-N 0 2 384.480 3.138 20 0 GGADLN C[C@@H](Sc1ccccc1C(=O)NCc1ccccc1-n1cc[nH+]c1)C(=O)[O-] ZINC000833545510 605027387 /nfs/dbraw/zinc/02/73/87/605027387.db2.gz IZQZZWWDNYLREH-CQSZACIVSA-N 0 2 381.457 3.368 20 0 GGADLN C[N@@H+]1CC[C@H](NC(=O)c2ccc(NC(=O)[O-])cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000833698279 605040837 /nfs/dbraw/zinc/04/08/37/605040837.db2.gz MPOWDKCAMSIVFI-DLBZAZTESA-N 0 2 375.375 3.230 20 0 GGADLN C[N@H+]1CC[C@H](NC(=O)c2ccc(NC(=O)[O-])cc2)[C@H]1c1ccc(F)c(F)c1 ZINC000833698279 605040839 /nfs/dbraw/zinc/04/08/39/605040839.db2.gz MPOWDKCAMSIVFI-DLBZAZTESA-N 0 2 375.375 3.230 20 0 GGADLN C[N@@H+]1CC[C@H](NC(=O)c2cccc(NC(=O)[O-])c2)[C@H]1c1ccc(F)c(F)c1 ZINC000833698703 605040856 /nfs/dbraw/zinc/04/08/56/605040856.db2.gz UDUVHLSBTDMPOU-DLBZAZTESA-N 0 2 375.375 3.230 20 0 GGADLN C[N@H+]1CC[C@H](NC(=O)c2cccc(NC(=O)[O-])c2)[C@H]1c1ccc(F)c(F)c1 ZINC000833698703 605040859 /nfs/dbraw/zinc/04/08/59/605040859.db2.gz UDUVHLSBTDMPOU-DLBZAZTESA-N 0 2 375.375 3.230 20 0 GGADLN C[C@H](c1nnc(S[C@H](C(=O)[O-])C2CC2)n1-c1ccc(Cl)cc1)[NH+](C)C ZINC000833551080 605071445 /nfs/dbraw/zinc/07/14/45/605071445.db2.gz QOLDHSQUYOEFGX-YGRLFVJLSA-N 0 2 380.901 3.499 20 0 GGADLN CC1(C)Cc2cc(C(=O)N[C@@H](Cc3c[nH]c[nH+]3)C(=O)[O-])sc2-c2ccccc21 ZINC000833560551 605076488 /nfs/dbraw/zinc/07/64/88/605076488.db2.gz AXLKDGWMHALLDR-INIZCTEOSA-N 0 2 395.484 3.398 20 0 GGADLN CC1(C)Cc2cc(C(=O)N[C@@H](Cc3c[nH+]c[nH]3)C(=O)[O-])sc2-c2ccccc21 ZINC000833560551 605076494 /nfs/dbraw/zinc/07/64/94/605076494.db2.gz AXLKDGWMHALLDR-INIZCTEOSA-N 0 2 395.484 3.398 20 0 GGADLN CCC(CC)(CNC(=O)Nc1ccccc1C[N@H+]1C[C@@H](C)O[C@@H](C)C1)C(=O)[O-] ZINC000424474944 605095050 /nfs/dbraw/zinc/09/50/50/605095050.db2.gz SACYNPRQMGISLC-IYBDPMFKSA-N 0 2 391.512 3.308 20 0 GGADLN CCC(CC)(CNC(=O)Nc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C(=O)[O-] ZINC000424474944 605095057 /nfs/dbraw/zinc/09/50/57/605095057.db2.gz SACYNPRQMGISLC-IYBDPMFKSA-N 0 2 391.512 3.308 20 0 GGADLN CCC(CC)(CNC(=O)Nc1cccc([C@@H](C)[NH+]2CCOCC2)c1)C(=O)[O-] ZINC000424387848 605100513 /nfs/dbraw/zinc/10/05/13/605100513.db2.gz XVEQQGLMNSATCI-OAHLLOKOSA-N 0 2 377.485 3.092 20 0 GGADLN Cc1[nH+]c2n(c1C)CCN(C(=O)Nc1ccc(Br)cc1C(=O)[O-])C2 ZINC000833756065 605132571 /nfs/dbraw/zinc/13/25/71/605132571.db2.gz FOPIJTIGIQPVHZ-UHFFFAOYSA-N 0 2 393.241 3.008 20 0 GGADLN Cc1[nH+]c2n(c1C)CCN(C(=O)Nc1cc(C(F)(F)F)ccc1C(=O)[O-])C2 ZINC000833757044 605138137 /nfs/dbraw/zinc/13/81/37/605138137.db2.gz ULEZSHVRZDQYIB-UHFFFAOYSA-N 0 2 382.342 3.265 20 0 GGADLN CC(C)(C)n1ncc2c1nc[nH+]c2N(CCC(=O)[O-])Cc1ccc(F)c(F)c1 ZINC000833452101 605158921 /nfs/dbraw/zinc/15/89/21/605158921.db2.gz LVALXXHAOYGMOJ-UHFFFAOYSA-N 0 2 389.406 3.341 20 0 GGADLN COC(=O)c1cc(C[N@@H+]2CCO[C@@H](c3ccc(Cl)cc3)C2)cc(C(=O)[O-])c1 ZINC000833713182 605202113 /nfs/dbraw/zinc/20/21/13/605202113.db2.gz SSMPMPCFZLKRSW-GOSISDBHSA-N 0 2 389.835 3.398 20 0 GGADLN COC(=O)c1cc(C[N@H+]2CCO[C@@H](c3ccc(Cl)cc3)C2)cc(C(=O)[O-])c1 ZINC000833713182 605202118 /nfs/dbraw/zinc/20/21/18/605202118.db2.gz SSMPMPCFZLKRSW-GOSISDBHSA-N 0 2 389.835 3.398 20 0 GGADLN CC(C)(CC(=O)[O-])CC(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000833455196 605260532 /nfs/dbraw/zinc/26/05/32/605260532.db2.gz SHRHJZSJENGCJJ-HNNXBMFYSA-N 0 2 384.879 3.451 20 0 GGADLN CC(C)(CC(=O)[O-])CC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000833455196 605260535 /nfs/dbraw/zinc/26/05/35/605260535.db2.gz SHRHJZSJENGCJJ-HNNXBMFYSA-N 0 2 384.879 3.451 20 0 GGADLN C[C@H]1C[N@@H+]([C@@H](C(=O)[O-])c2ccccc2C(F)(F)F)CCN1CC(F)(F)F ZINC000833620655 605267588 /nfs/dbraw/zinc/26/75/88/605267588.db2.gz HNCORXSMABZRRX-GXFFZTMASA-N 0 2 384.320 3.400 20 0 GGADLN C[C@H]1C[N@H+]([C@@H](C(=O)[O-])c2ccccc2C(F)(F)F)CCN1CC(F)(F)F ZINC000833620655 605267589 /nfs/dbraw/zinc/26/75/89/605267589.db2.gz HNCORXSMABZRRX-GXFFZTMASA-N 0 2 384.320 3.400 20 0 GGADLN COc1cc(OC)c(C[NH2+][C@@H](C(=O)[O-])c2c(F)cccc2Cl)c(OC)c1 ZINC000833728626 605358970 /nfs/dbraw/zinc/35/89/70/605358970.db2.gz IQLXBRSAWWAJHS-QGZVFWFLSA-N 0 2 383.803 3.420 20 0 GGADLN C[C@H](c1cccnc1)[NH+]1CCN([C@H](C(=O)[O-])c2c(F)cccc2Cl)CC1 ZINC000833548559 605376315 /nfs/dbraw/zinc/37/63/15/605376315.db2.gz FHSZGDLTEJIECI-ACJLOTCBSA-N 0 2 377.847 3.379 20 0 GGADLN Cn1cc[nH+]c1C[C@H](NC(=O)NCC1(C(=O)[O-])CCCCC1)c1ccccc1 ZINC000833759647 605443040 /nfs/dbraw/zinc/44/30/40/605443040.db2.gz GWSRTAHNHLFSLG-KRWDZBQOSA-N 0 2 384.480 3.038 20 0 GGADLN CC(C)C[N@@H+]1Cc2cccc(NS(=O)(=O)c3cc(F)ccc3C(=O)[O-])c2C1 ZINC000833487274 605447078 /nfs/dbraw/zinc/44/70/78/605447078.db2.gz HXJLDBHPQDQZKU-UHFFFAOYSA-N 0 2 392.452 3.296 20 0 GGADLN CC(C)C[N@H+]1Cc2cccc(NS(=O)(=O)c3cc(F)ccc3C(=O)[O-])c2C1 ZINC000833487274 605447083 /nfs/dbraw/zinc/44/70/83/605447083.db2.gz HXJLDBHPQDQZKU-UHFFFAOYSA-N 0 2 392.452 3.296 20 0 GGADLN CC(C)C[N@@H+]1Cc2cccc(NS(=O)(=O)c3cccc(F)c3C(=O)[O-])c2C1 ZINC000833488092 605447289 /nfs/dbraw/zinc/44/72/89/605447289.db2.gz PDAQXVVZIQUZQQ-UHFFFAOYSA-N 0 2 392.452 3.296 20 0 GGADLN CC(C)C[N@H+]1Cc2cccc(NS(=O)(=O)c3cccc(F)c3C(=O)[O-])c2C1 ZINC000833488092 605447295 /nfs/dbraw/zinc/44/72/95/605447295.db2.gz PDAQXVVZIQUZQQ-UHFFFAOYSA-N 0 2 392.452 3.296 20 0 GGADLN Cc1nn(-c2ccccc2)c(C)c1[C@H]1COCC[N@H+]1C[C@H]1CC(C(=O)[O-])=C(C)O1 ZINC000833580957 605554453 /nfs/dbraw/zinc/55/44/53/605554453.db2.gz TVJJAJWYCIZNBS-UYAOXDASSA-N 0 2 397.475 3.010 20 0 GGADLN Cc1nn(-c2ccccc2)c(C)c1[C@H]1COCC[N@@H+]1C[C@H]1CC(C(=O)[O-])=C(C)O1 ZINC000833580957 605554458 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ZINC000736684371 1425711944 /nfs/dbraw/zinc/71/19/44/1425711944.db2.gz GXABGFNYAKAMOJ-CXAGYDPISA-N 0 2 380.452 3.186 20 0 GGADLN CCc1ccc([C@H]2CCC[N@H+]2[C@H](C)C(=O)Nc2ccccc2-c2nnn[n-]2)o1 ZINC000736684371 1425711956 /nfs/dbraw/zinc/71/19/56/1425711956.db2.gz GXABGFNYAKAMOJ-CXAGYDPISA-N 0 2 380.452 3.186 20 0 GGADLN CCn1c(=O)c2ccc(C(=O)N3CCc4c(C)cccc4C3)cc2[nH]c1=S ZINC000171540912 1425725310 /nfs/dbraw/zinc/72/53/10/1425725310.db2.gz VVKGONIQKPXHRA-UHFFFAOYSA-N 0 2 379.485 3.212 20 0 GGADLN COCc1cccc(S(=O)(=O)Nc2ccnn2Cc2ccccc2F)c1 ZINC000171627816 1425763516 /nfs/dbraw/zinc/76/35/16/1425763516.db2.gz APKKGUQTJLOXLH-UHFFFAOYSA-N 0 2 375.425 3.018 20 0 GGADLN C[C@H]([NH2+]Cc1cc(-c2nnn[n-]2)ccc1F)c1nc2ccc(Cl)cc2n1C ZINC000824613313 1425803401 /nfs/dbraw/zinc/80/34/01/1425803401.db2.gz SZVSEJYTAUJKCM-JTQLQIEISA-N 0 2 385.834 3.397 20 0 GGADLN C[N@H+]1Cc2ccccc2[C@H](Nc2ccc(-c3nnn[n-]3)cc2Br)C1 ZINC000826052680 1425951115 /nfs/dbraw/zinc/95/11/15/1425951115.db2.gz RSFIVXTXCVHJOB-MRXNPFEDSA-N 0 2 385.269 3.228 20 0 GGADLN C[N@@H+]1Cc2ccccc2[C@H](Nc2ccc(-c3nnn[n-]3)cc2Br)C1 ZINC000826052680 1425951117 /nfs/dbraw/zinc/95/11/17/1425951117.db2.gz RSFIVXTXCVHJOB-MRXNPFEDSA-N 0 2 385.269 3.228 20 0 GGADLN COc1cc(C)[nH+]c(NCc2cccc(-c3ccc(-c4nnn[n-]4)s3)c2)n1 ZINC000737041349 1425966363 /nfs/dbraw/zinc/96/63/63/1425966363.db2.gz JNVZOLTXJMPDHK-UHFFFAOYSA-N 0 2 379.449 3.314 20 0 GGADLN O=C(Nn1cnc2sc3c(c2c1=O)CCCC3)c1coc(-c2ccccc2)n1 ZINC000172327949 1426001330 /nfs/dbraw/zinc/00/13/30/1426001330.db2.gz UALHEVQTZLIOEJ-UHFFFAOYSA-N 0 2 392.440 3.376 20 0 GGADLN CCn1c(=O)c2ccc(C(=O)Nc3cccc(Cl)c3O)cc2[nH]c1=S ZINC000172356225 1426012918 /nfs/dbraw/zinc/01/29/18/1426012918.db2.gz RDIQSOVFABFGTA-UHFFFAOYSA-N 0 2 375.837 3.316 20 0 GGADLN Cc1nn(C)c(C)c1S(=O)(=O)[N-]c1ccc(-c2[nH+]cc3n2CCCC3)cc1 ZINC000172379670 1426019466 /nfs/dbraw/zinc/01/94/66/1426019466.db2.gz XGSXQNPMMCSZED-UHFFFAOYSA-N 0 2 385.493 3.038 20 0 GGADLN C[C@@H](Nc1ccc(N2C[C@@H](C)O[C@@H](C)C2)[nH+]c1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824991394 1426103124 /nfs/dbraw/zinc/10/31/24/1426103124.db2.gz APRKHIZFRSSNKO-HZSPNIEDSA-N 0 2 397.458 3.188 20 0 GGADLN CC(C)c1cccc(N2CC(=O)C(C(=O)N3CCN(CC(F)(F)F)CC3)=N2)c1 ZINC000172694188 1426146422 /nfs/dbraw/zinc/14/64/22/1426146422.db2.gz HNFYLGPHJBQBQQ-UHFFFAOYSA-N 0 2 396.413 3.021 20 0 GGADLN COc1c(C)ccc(NS(=O)(=O)c2cnn(-c3ccccc3F)c2)c1C ZINC000172884825 1426238227 /nfs/dbraw/zinc/23/82/27/1426238227.db2.gz BEVWNRXMIPWSNM-UHFFFAOYSA-N 0 2 375.425 3.438 20 0 GGADLN COCCCn1c(=O)c2ccc(C(=O)N3CCC[C@H](C)[C@@H]3C)cc2[nH]c1=S ZINC000173003466 1426304896 /nfs/dbraw/zinc/30/48/96/1426304896.db2.gz TWMUYOZYDXOLQL-KBPBESRZSA-N 0 2 389.521 3.356 20 0 GGADLN O=C(NC[C@@H](O)c1cccc(C(F)(F)F)c1)C1=NN(c2ccccc2)CC1=O ZINC000173175050 1426378086 /nfs/dbraw/zinc/37/80/86/1426378086.db2.gz YAKCVWHVVHUGOT-OAHLLOKOSA-N 0 2 391.349 3.060 20 0 GGADLN COc1ccc(-c2noc([C@@H](C)[NH2+][C@H](C)c3cccc(-c4nnn[n-]4)c3)n2)cc1 ZINC000821765569 1426509985 /nfs/dbraw/zinc/50/99/85/1426509985.db2.gz GNHCZJIPCMJSCJ-CHWSQXEVSA-N 0 2 391.435 3.337 20 0 GGADLN CCC[N@H+](CC(=O)Nc1ccccc1C)Cc1ccc(-c2nnn[n-]2)cc1OC ZINC000825307702 1426566911 /nfs/dbraw/zinc/56/69/11/1426566911.db2.gz MMFZRGGECHASTI-UHFFFAOYSA-N 0 2 394.479 3.034 20 0 GGADLN CCC[N@@H+](CC(=O)Nc1ccccc1C)Cc1ccc(-c2nnn[n-]2)cc1OC ZINC000825307702 1426566912 /nfs/dbraw/zinc/56/69/12/1426566912.db2.gz MMFZRGGECHASTI-UHFFFAOYSA-N 0 2 394.479 3.034 20 0 GGADLN CCn1c(=O)c2ccc(C(=O)N3CCC(C(F)(F)F)CC3)cc2[nH]c1=S ZINC000173482582 1426656144 /nfs/dbraw/zinc/65/61/44/1426656144.db2.gz HVNXSMIYTHDSRI-UHFFFAOYSA-N 0 2 385.411 3.120 20 0 GGADLN CCCc1nc(C[NH+]2CCC(Oc3cccc(-c4nnn[n-]4)c3)CC2)cs1 ZINC000736494785 1426676520 /nfs/dbraw/zinc/67/65/20/1426676520.db2.gz GVCNJDYEGGETFE-UHFFFAOYSA-N 0 2 384.509 3.319 20 0 GGADLN Cc1c(F)cccc1S(=O)(=O)Nc1cc(C(C)(C)C)nn1-c1ncccn1 ZINC000174004944 1426937919 /nfs/dbraw/zinc/93/79/19/1426937919.db2.gz HDOFNZGIBWHLEJ-UHFFFAOYSA-N 0 2 389.456 3.208 20 0 GGADLN O=C1Nc2ccc(S(=O)(=O)Nc3ccnn3-c3ccccc3)c3cccc1c23 ZINC000174025089 1426952076 /nfs/dbraw/zinc/95/20/76/1426952076.db2.gz BEDZTQYRIGUZJK-UHFFFAOYSA-N 0 2 390.424 3.392 20 0 GGADLN Cc1ccc(-n2[n-]c(C(=O)Nc3nc(C[NH+]4CCCCC4)cs3)cc2=O)cc1 ZINC000174210917 1427053089 /nfs/dbraw/zinc/05/30/89/1427053089.db2.gz QCOSFCARTSTPED-UHFFFAOYSA-N 0 2 397.504 3.169 20 0 GGADLN COc1cccc(-c2noc(C(C)NC(C)C(=O)Nc3ccnn3C(C)C)n2)c1 ZINC000174327943 1427104243 /nfs/dbraw/zinc/10/42/43/1427104243.db2.gz PPBPWTQOUHFMHX-KBPBESRZSA-N 0 2 398.467 3.200 20 0 GGADLN C[C@@H]([NH2+][C@@H](C)c1cccc(-c2nnn[n-]2)c1)c1nc(Cc2ccccc2)no1 ZINC000820410350 1427104466 /nfs/dbraw/zinc/10/44/66/1427104466.db2.gz DSZBAQPILJRMOD-UONOGXRCSA-N 0 2 375.436 3.252 20 0 GGADLN Cc1ccc(CNc2[nH+]ccc(C)c2-c2nnn[n-]2)c(OC[C@@H]2CCCO2)c1 ZINC000826288292 1427142600 /nfs/dbraw/zinc/14/26/00/1427142600.db2.gz ABGVAKHPMRSTLB-INIZCTEOSA-N 0 2 380.452 3.048 20 0 GGADLN COc1ccccc1C[NH+]1CCN(C(=O)c2ccc3[n-]c(=S)oc3c2)CC1 ZINC000174575727 1427234469 /nfs/dbraw/zinc/23/44/69/1427234469.db2.gz YSDIBGODTPRAIA-UHFFFAOYSA-N 0 2 383.473 3.083 20 0 GGADLN COc1ccccc1-n1cc(S(=O)(=O)Nc2ccc3scnc3c2)cn1 ZINC000174695167 1427315153 /nfs/dbraw/zinc/31/51/53/1427315153.db2.gz ZSSCMQIZDUFEMB-UHFFFAOYSA-N 0 2 386.458 3.291 20 0 GGADLN Cc1ccc(-n2[n-]c(C(=O)Nc3ccc(-n4cc[nH+]c4)c(F)c3)cc2=O)cc1 ZINC000174717944 1427328694 /nfs/dbraw/zinc/32/86/94/1427328694.db2.gz ROPDKRQBMWKUIJ-UHFFFAOYSA-N 0 2 377.379 3.051 20 0 GGADLN C[C@@H]1CC[C@H](C(F)(F)F)C[N@@H+]1Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000824907520 1427462567 /nfs/dbraw/zinc/46/25/67/1427462567.db2.gz IGJFLODTISYQNK-MFKMUULPSA-N 0 2 393.373 3.080 20 0 GGADLN C[C@@H]1CC[C@H](C(F)(F)F)C[N@H+]1Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)o1 ZINC000824907520 1427462573 /nfs/dbraw/zinc/46/25/73/1427462573.db2.gz IGJFLODTISYQNK-MFKMUULPSA-N 0 2 393.373 3.080 20 0 GGADLN CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)[C@@H]1C[C@]12CCCc1ccccc12 ZINC000175130619 1427561422 /nfs/dbraw/zinc/56/14/22/1427561422.db2.gz HMSKDTLFLBKVRO-BTYIYWSLSA-N 0 2 379.485 3.237 20 0 GGADLN C[NH+](C)[C@@H](CNc1nc2ccccc2cc1-c1nnn[n-]1)c1c(F)cccc1F ZINC000821581542 1427569823 /nfs/dbraw/zinc/56/98/23/1427569823.db2.gz OGUZWXFXAYUUNQ-KRWDZBQOSA-N 0 2 395.417 3.408 20 0 GGADLN O=C(c1cc(Cl)c2ccccc2c1[O-])N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000175230921 1427615108 /nfs/dbraw/zinc/61/51/08/1427615108.db2.gz OZQUTEYAVYVUCZ-OAHLLOKOSA-N 0 2 388.895 3.383 20 0 GGADLN CCS[C@@H]1CCCC[C@H]1NC(=O)c1ccc2c(c1)[nH]c(=S)n(CC)c2=O ZINC000175255299 1427628209 /nfs/dbraw/zinc/62/82/09/1427628209.db2.gz YZAWBBDKXMKCHB-GDBMZVCRSA-N 0 2 391.562 3.499 20 0 GGADLN C[N@H+](Cc1cccc(F)c1)Cc1ccc(-c2nnn[n-]2)cc1Br ZINC000825980863 1427638151 /nfs/dbraw/zinc/63/81/51/1427638151.db2.gz JDEOWYLYFVOKKB-UHFFFAOYSA-N 0 2 376.233 3.400 20 0 GGADLN C[N@@H+](Cc1cccc(F)c1)Cc1ccc(-c2nnn[n-]2)cc1Br ZINC000825980863 1427638156 /nfs/dbraw/zinc/63/81/56/1427638156.db2.gz JDEOWYLYFVOKKB-UHFFFAOYSA-N 0 2 376.233 3.400 20 0 GGADLN Fc1ccc(-c2c[nH]c([C@H]3CCC[N@@H+]3Cc3ccc(-c4nnn[n-]4)o3)n2)cc1 ZINC000826372649 1427646105 /nfs/dbraw/zinc/64/61/05/1427646105.db2.gz GPWBZMGWYNHPEM-MRXNPFEDSA-N 0 2 379.399 3.326 20 0 GGADLN Fc1ccc(-c2c[nH]c([C@H]3CCC[N@H+]3Cc3ccc(-c4nnn[n-]4)o3)n2)cc1 ZINC000826372649 1427646111 /nfs/dbraw/zinc/64/61/11/1427646111.db2.gz GPWBZMGWYNHPEM-MRXNPFEDSA-N 0 2 379.399 3.326 20 0 GGADLN Cc1c2cc(F)ccc2sc1C(=O)OCCNc1[nH+]cccc1-c1nnn[n-]1 ZINC000737208816 1427662812 /nfs/dbraw/zinc/66/28/12/1427662812.db2.gz HFYVVCLUXNFEPI-UHFFFAOYSA-N 0 2 398.423 3.193 20 0 GGADLN Cc1cccc(NC(=O)C[N@H+]2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)c1C ZINC000826299036 1427762191 /nfs/dbraw/zinc/76/21/91/1427762191.db2.gz OPAIROAXRYMXAH-UHFFFAOYSA-N 0 2 388.475 3.211 20 0 GGADLN Cc1cccc(NC(=O)C[N@@H+]2CC=C(c3ccc(-c4nnn[n-]4)cc3)CC2)c1C ZINC000826299036 1427762197 /nfs/dbraw/zinc/76/21/97/1427762197.db2.gz OPAIROAXRYMXAH-UHFFFAOYSA-N 0 2 388.475 3.211 20 0 GGADLN CCN1CC[NH+](Cc2ccc(N[C@@H](C)c3cccc(-c4nnn[n-]4)c3)cc2)CC1 ZINC000825460478 1427762385 /nfs/dbraw/zinc/76/23/85/1427762385.db2.gz YFQGOWKCAOCLHW-KRWDZBQOSA-N 0 2 391.523 3.177 20 0 GGADLN CC[C@H](C)NC(=O)c1cccc(CNC(=O)C2=NN(c3ccccc3)CC2=O)c1 ZINC000175492416 1427786469 /nfs/dbraw/zinc/78/64/69/1427786469.db2.gz PNZIVBALYWWNAM-HNNXBMFYSA-N 0 2 392.459 3.036 20 0 GGADLN O=C(NC[C@H]1CCCO[C@@H]1c1ccccc1)C1=NN(c2ccccc2)CC1=O ZINC000175695598 1427861312 /nfs/dbraw/zinc/86/13/12/1427861312.db2.gz RNCWAACIDIIPOD-DYESRHJHSA-N 0 2 377.444 3.476 20 0 GGADLN O=C(NC[C@@H]1CCCO[C@@H]1c1ccccc1)C1=NN(c2ccccc2)CC1=O ZINC000175695554 1427861411 /nfs/dbraw/zinc/86/14/11/1427861411.db2.gz RNCWAACIDIIPOD-LAUBAEHRSA-N 0 2 377.444 3.476 20 0 GGADLN Cc1cc(S(=O)(=O)Nc2ccc(C(=O)c3nccn3C)cc2)c(F)cc1F ZINC000175763053 1427883294 /nfs/dbraw/zinc/88/32/94/1427883294.db2.gz CPCSHPJTBMGTQE-UHFFFAOYSA-N 0 2 391.399 3.039 20 0 GGADLN Cc1ccc(C(=O)NC2CC2)cc1NS(=O)(=O)c1cc(C)c(F)cc1F ZINC000175765919 1427883920 /nfs/dbraw/zinc/88/39/20/1427883920.db2.gz JPMKLXMJKCBREU-UHFFFAOYSA-N 0 2 380.416 3.275 20 0 GGADLN CO[C@@H](C)C(=O)Nc1cccc(NS(=O)(=O)c2cc(C)c(F)cc2F)c1 ZINC000175767867 1427885290 /nfs/dbraw/zinc/88/52/90/1427885290.db2.gz HCPQHDYAAFRTRM-NSHDSACASA-N 0 2 384.404 3.047 20 0 GGADLN CO[C@H](C)C(=O)Nc1cccc(NS(=O)(=O)c2cc(C)c(F)cc2F)c1 ZINC000175767849 1427885373 /nfs/dbraw/zinc/88/53/73/1427885373.db2.gz HCPQHDYAAFRTRM-LLVKDONJSA-N 0 2 384.404 3.047 20 0 GGADLN Cn1cc(CNc2[nH+]c3c(cc2-c2nnn[n-]2)CCCC3)c(-c2ccccc2)n1 ZINC000826362048 1427912210 /nfs/dbraw/zinc/91/22/10/1427912210.db2.gz AZYYBVMRUXZHIK-UHFFFAOYSA-N 0 2 386.463 3.153 20 0 GGADLN Cc1noc(C)c1[C@@H](C)CNc1c(-c2nnn[n-]2)c[nH+]c2c(C)cc(F)cc12 ZINC000826339039 1427961858 /nfs/dbraw/zinc/96/18/58/1427961858.db2.gz PAGYVXAEGKUFOI-JTQLQIEISA-N 0 2 381.415 3.105 20 0 GGADLN Cc1cc(F)ccc1N1CC(=O)C(C(=O)N[C@@H](c2nc(C3CC3)no2)C(C)C)=N1 ZINC000175970393 1428005030 /nfs/dbraw/zinc/00/50/30/1428005030.db2.gz QXSUVOGOERHPIG-MRXNPFEDSA-N 0 2 399.426 3.413 20 0 GGADLN Cc1cc(F)ccc1N1CC(=O)C(C(=O)N[C@H](c2nc(C3CC3)no2)C(C)C)=N1 ZINC000175970408 1428005141 /nfs/dbraw/zinc/00/51/41/1428005141.db2.gz QXSUVOGOERHPIG-INIZCTEOSA-N 0 2 399.426 3.413 20 0 GGADLN Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N2CC[N@@H+](C)Cc3ccccc32)n1 ZINC000175994148 1428018337 /nfs/dbraw/zinc/01/83/37/1428018337.db2.gz DHKZJNDXUVBKEJ-UHFFFAOYSA-N 0 2 380.423 3.118 20 0 GGADLN Cc1cc(F)ccc1-n1cc([O-])c(C(=O)N2CC[N@H+](C)Cc3ccccc32)n1 ZINC000175994148 1428018347 /nfs/dbraw/zinc/01/83/47/1428018347.db2.gz DHKZJNDXUVBKEJ-UHFFFAOYSA-N 0 2 380.423 3.118 20 0 GGADLN Cc1ccc([C@H]2COCCN2C(=O)C2=NN(c3ccc(F)cc3C)CC2=O)o1 ZINC000176096509 1428080409 /nfs/dbraw/zinc/08/04/09/1428080409.db2.gz KSXNEALPSOAYPC-MRXNPFEDSA-N 0 2 385.395 3.141 20 0 GGADLN Cc1ccc(C(=O)Nc2nnc(NS(=O)(=O)c3ccccc3)s2)c(F)c1 ZINC000176116657 1428092738 /nfs/dbraw/zinc/09/27/38/1428092738.db2.gz PTSYLQUIRMQYMQ-UHFFFAOYSA-N 0 2 392.437 3.039 20 0 GGADLN C[C@@H]([NH2+]Cc1nc2c3ccccc3oc2c(=O)[nH]1)c1cccc(-c2nnn[n-]2)c1 ZINC000820438584 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GGADLN O=C(c1cc(F)c(O)c(F)c1)N1CCO[C@H](c2cccc(OC(F)F)c2)C1 ZINC000180193897 1429795488 /nfs/dbraw/zinc/79/54/88/1429795488.db2.gz NTNOAEOZRNPXBD-HNNXBMFYSA-N 0 2 385.313 3.486 20 0 GGADLN CCc1oc(C(=O)OC)cc1S(=O)(=O)Nc1cccc(-c2ncco2)c1 ZINC000180222830 1429806690 /nfs/dbraw/zinc/80/66/90/1429806690.db2.gz AJDAKVCUNGYWIB-UHFFFAOYSA-N 0 2 376.390 3.084 20 0 GGADLN Cc1ccc(OCc2nc(NS(=O)(=O)c3cc(F)ccc3F)no2)cc1 ZINC000180316240 1429834802 /nfs/dbraw/zinc/83/48/02/1429834802.db2.gz PVRYYFFYXIMYGY-UHFFFAOYSA-N 0 2 381.360 3.036 20 0 GGADLN CC(=O)Nc1cc(S(=O)(=O)Nc2cn(-c3ccccc3)nc2C)ccc1C ZINC000180346516 1429841692 /nfs/dbraw/zinc/84/16/92/1429841692.db2.gz NRRXQYHZGNRJDQ-UHFFFAOYSA-N 0 2 384.461 3.248 20 0 GGADLN Cc1nn(-c2ccccc2)cc1NS(=O)(=O)c1cc([N+](=O)[O-])c(F)cc1C ZINC000180348736 1429842417 /nfs/dbraw/zinc/84/24/17/1429842417.db2.gz UTWZGTCHTSLTBZ-UHFFFAOYSA-N 0 2 390.396 3.337 20 0 GGADLN Cc1nn(-c2ccccc2)cc1NS(=O)(=O)c1cc([N+](=O)[O-])c(C)cc1F ZINC000180353254 1429843675 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1433028612 /nfs/dbraw/zinc/02/86/12/1433028612.db2.gz WOCADWDBCZFPIP-UHFFFAOYSA-N 0 2 384.848 3.458 20 0 GGADLN Cc1cc(C)n(-c2ccc(NS(=O)(=O)c3c(F)cc(F)cc3F)cn2)n1 ZINC000193705401 1433044025 /nfs/dbraw/zinc/04/40/25/1433044025.db2.gz FYGDKVBTNMAMLD-UHFFFAOYSA-N 0 2 382.367 3.102 20 0 GGADLN C[C@@H]1CCCC[C@@H]1N(C)C(=O)CSc1nc(=O)cc(O)n1C1CCCC1 ZINC000193783491 1433058611 /nfs/dbraw/zinc/05/86/11/1433058611.db2.gz TUTWBMFKGAGWOX-HIFRSBDPSA-N 0 2 379.526 3.193 20 0 GGADLN CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)Nc1cccc(OCc2ccccn2)c1 ZINC000193799231 1433062051 /nfs/dbraw/zinc/06/20/51/1433062051.db2.gz OOXUOBOUMLMVRR-INIZCTEOSA-N 0 2 395.381 3.302 20 0 GGADLN Cc1ccc(S(=O)(=O)Nc2nnc(/C=C/c3ccco3)s2)c(Cl)n1 ZINC000193822860 1433067141 /nfs/dbraw/zinc/06/71/41/1433067141.db2.gz GXXUGXAEKKEYKX-FNORWQNLSA-N 0 2 382.854 3.459 20 0 GGADLN Cc1ccc(S(=O)(=O)Nc2nnc(CCCc3cccs3)o2)c(Cl)n1 ZINC000193838900 1433070092 /nfs/dbraw/zinc/07/00/92/1433070092.db2.gz MVRDIAWZYULSSC-UHFFFAOYSA-N 0 2 398.897 3.464 20 0 GGADLN Cc1ccc(S(=O)(=O)Nc2nnc(CCc3ccccc3)o2)c(Cl)n1 ZINC000193838617 1433070285 /nfs/dbraw/zinc/07/02/85/1433070285.db2.gz LPDOPQPAPMAXRE-UHFFFAOYSA-N 0 2 378.841 3.012 20 0 GGADLN Cn1c2ccc(S(=O)(=O)Nc3nc4c(s3)CCCCCC4)cc2oc1=O ZINC000193905659 1433082290 /nfs/dbraw/zinc/08/22/90/1433082290.db2.gz GQPYDXQAGYEDSM-UHFFFAOYSA-N 0 2 393.490 3.048 20 0 GGADLN CN(Cc1nc(=O)c2sccc2[nH]1)C(=O)N[C@@H]1CCSc2ccccc21 ZINC000193977750 1433094960 /nfs/dbraw/zinc/09/49/60/1433094960.db2.gz AVSGEVORJDXLHF-GFCCVEGCSA-N 0 2 386.502 3.363 20 0 GGADLN Cc1ccc([C@@H]2COCCN2C(=O)C2=NN(c3ccc(Cl)cc3)CC2=O)o1 ZINC000194143898 1433125570 /nfs/dbraw/zinc/12/55/70/1433125570.db2.gz VXMWYAOOZQCAHU-HNNXBMFYSA-N 0 2 387.823 3.346 20 0 GGADLN O=C(Nc1cc(Cl)ccc1NS(=O)(=O)c1ccccc1F)C(F)F ZINC000194192938 1433135654 /nfs/dbraw/zinc/13/56/54/1433135654.db2.gz VGHJBKJGNVJDBI-UHFFFAOYSA-N 0 2 378.759 3.484 20 0 GGADLN COC(=O)c1cc(S(=O)(=O)Nc2cnn(C3CCCC3)c2C)ccc1F ZINC000194223078 1433141943 /nfs/dbraw/zinc/14/19/43/1433141943.db2.gz IDAAGQVRMSLGAV-UHFFFAOYSA-N 0 2 381.429 3.033 20 0 GGADLN COC(=O)c1ccc(C)c(S(=O)(=O)Nc2cnn(C3CCCC3)c2C)c1 ZINC000194222481 1433142033 /nfs/dbraw/zinc/14/20/33/1433142033.db2.gz KHMUSZUFISFXHU-UHFFFAOYSA-N 0 2 377.466 3.202 20 0 GGADLN CCOC(=O)c1[nH]c(C)c(S(=O)(=O)Nc2cnn(C3CCCC3)c2C)c1C ZINC000194224242 1433142309 /nfs/dbraw/zinc/14/23/09/1433142309.db2.gz IVNPDUFKCRPAIP-UHFFFAOYSA-N 0 2 394.497 3.229 20 0 GGADLN CC(C)[C@H](NC(=O)C(F)(F)F)C(=O)Nc1cccc(-c2noc(C3CC3)n2)c1 ZINC000194298149 1433157635 /nfs/dbraw/zinc/15/76/35/1433157635.db2.gz LFBKJBADZXERBP-ZDUSSCGKSA-N 0 2 396.369 3.256 20 0 GGADLN CN(CCC(=O)OC(C)(C)C)C(=O)C1=NN(c2ccc(Cl)cc2)CC1=O ZINC000194313405 1433159671 /nfs/dbraw/zinc/15/96/71/1433159671.db2.gz ITHWWWJCBZLSSE-UHFFFAOYSA-N 0 2 379.844 3.035 20 0 GGADLN COCCN(Cc1ccc(C)o1)C(=O)C1=NN(c2ccc(Cl)cc2)CC1=O ZINC000194320738 1433160905 /nfs/dbraw/zinc/16/09/05/1433160905.db2.gz VPWLSSYKXFHRGN-UHFFFAOYSA-N 0 2 389.839 3.422 20 0 GGADLN O=C(NCCc1ccc(Cl)nc1)C1=NN(c2ccc(Cl)cc2)CC1=O ZINC000194325620 1433161781 /nfs/dbraw/zinc/16/17/81/1433161781.db2.gz OPDATXJEOQOHOQ-UHFFFAOYSA-N 0 2 377.231 3.252 20 0 GGADLN Cc1cc(C(=O)N(C)Cc2nc(=O)c3sccc3[nH]2)c2c(n1)onc2C(C)C ZINC000194388886 1433170831 /nfs/dbraw/zinc/17/08/31/1433170831.db2.gz YQXRSNWSQIAWJD-UHFFFAOYSA-N 0 2 397.460 3.225 20 0 GGADLN COC(CCCC(C)(C)CNC(=O)C1=NN(c2ccccc2)CC1=O)OC ZINC000194516853 1433191168 /nfs/dbraw/zinc/19/11/68/1433191168.db2.gz DAHULMJKTHJPIY-UHFFFAOYSA-N 0 2 375.469 3.123 20 0 GGADLN Cc1nn(C)c(C)c1S(=O)(=O)Nc1ccc2c(c1)OC1(CCCCC1)O2 ZINC000194553982 1433196390 /nfs/dbraw/zinc/19/63/90/1433196390.db2.gz FWIAIOLLRXGLIY-UHFFFAOYSA-N 0 2 377.466 3.269 20 0 GGADLN O=S(=O)(CCSc1n[nH]c(Cc2ccccc2)n1)c1ccc(F)cc1 ZINC000194601047 1433203992 /nfs/dbraw/zinc/20/39/92/1433203992.db2.gz HDGADVWOYHZWDI-UHFFFAOYSA-N 0 2 377.466 3.101 20 0 GGADLN CN(C)C(=O)c1ccc(S(=O)(=O)Nc2cc(F)ccc2OCC2CC2)cc1 ZINC000194668917 1433213032 /nfs/dbraw/zinc/21/30/32/1433213032.db2.gz IPOUYWSLTJZLDO-UHFFFAOYSA-N 0 2 392.452 3.117 20 0 GGADLN Cc1cc(C(=O)NC(C)C)ccc1NS(=O)(=O)c1ccc(F)c(F)c1F ZINC000194725153 1433220228 /nfs/dbraw/zinc/22/02/28/1433220228.db2.gz XWFZOFLBOIGXCR-UHFFFAOYSA-N 0 2 386.395 3.351 20 0 GGADLN Cc1n[nH]c(C)c1S(=O)(=O)Nc1ccc(C(=O)N2CCc3ccccc32)cc1 ZINC000194742076 1433223079 /nfs/dbraw/zinc/22/30/79/1433223079.db2.gz YZBFHZVHAHCLIS-UHFFFAOYSA-N 0 2 396.472 3.030 20 0 GGADLN COC(=O)c1c(C)[nH]c(C(=O)[C@H](C)S(=O)(=O)Cc2cc(C)sc2C)c1C ZINC000194782240 1433230742 /nfs/dbraw/zinc/23/07/42/1433230742.db2.gz BHWBQMKZWJIJST-ZDUSSCGKSA-N 0 2 397.518 3.283 20 0 GGADLN CCC(=O)Nc1ccc(S(=O)(=O)Nc2nnc(C3CCCCC3)o2)cc1 ZINC000194784041 1433231225 /nfs/dbraw/zinc/23/12/25/1433231225.db2.gz LLKBOGGOHNICIM-UHFFFAOYSA-N 0 2 378.454 3.267 20 0 GGADLN CN1CCCc2ccc(S(=O)(=O)Nc3nnc(C4CCCCC4)o3)cc21 ZINC000194786268 1433231950 /nfs/dbraw/zinc/23/19/50/1433231950.db2.gz VYJVYYYTBQYSPZ-UHFFFAOYSA-N 0 2 376.482 3.301 20 0 GGADLN CC[C@@H]1CCc2nc(NS(=O)(=O)c3ccc(C(=O)N(C)C)cc3)sc2C1 ZINC000194788611 1433232552 /nfs/dbraw/zinc/23/25/52/1433232552.db2.gz KPCFOECNHIWGIS-GFCCVEGCSA-N 0 2 393.534 3.161 20 0 GGADLN CN(C)C(=O)c1ccc(S(=O)(=O)Nc2nc3c(s2)CCCCCC3)cc1 ZINC000194789019 1433232583 /nfs/dbraw/zinc/23/25/83/1433232583.db2.gz YZFWCQWIWUWDJV-UHFFFAOYSA-N 0 2 393.534 3.305 20 0 GGADLN CC(C)n1cnc(S(=O)(=O)Nc2nnc(-c3cccc4ccccc43)o2)c1 ZINC000194795860 1433234466 /nfs/dbraw/zinc/23/44/66/1433234466.db2.gz UHKZKAFDDPLQHP-UHFFFAOYSA-N 0 2 383.433 3.468 20 0 GGADLN CC(C)Oc1ccc(S(=O)(=O)Nc2nnc(Cc3ccc(F)cc3)o2)cc1 ZINC000194808091 1433236986 /nfs/dbraw/zinc/23/69/86/1433236986.db2.gz KNNACLCBIXRKSQ-UHFFFAOYSA-N 0 2 391.424 3.388 20 0 GGADLN O=S(=O)(Nc1nnc(-c2ccc3c(c2)CCC3)o1)c1cc(F)ccc1F ZINC000194812797 1433238314 /nfs/dbraw/zinc/23/83/14/1433238314.db2.gz YVXSEERTGHTZOX-UHFFFAOYSA-N 0 2 377.372 3.304 20 0 GGADLN CC(=O)c1ccc(S(=O)(=O)Nc2nnc(-c3ccc4c(c3)CCC4)o2)cc1 ZINC000194812475 1433238458 /nfs/dbraw/zinc/23/84/58/1433238458.db2.gz OMJSCLQLHFOXQH-UHFFFAOYSA-N 0 2 383.429 3.229 20 0 GGADLN Cc1cc(S(=O)(=O)Nc2nnc(-c3ccc4c(c3)CCC4)o2)cnc1Cl ZINC000194812539 1433238481 /nfs/dbraw/zinc/23/84/81/1433238481.db2.gz BKEUAENIZCUWJY-UHFFFAOYSA-N 0 2 390.852 3.383 20 0 GGADLN COc1ccc(S(=O)(=O)Nc2nnc(-c3ccc4c(c3)CCC4)o2)cc1F ZINC000194812907 1433238500 /nfs/dbraw/zinc/23/85/00/1433238500.db2.gz BMQIMWFGIBXXBF-UHFFFAOYSA-N 0 2 389.408 3.174 20 0 GGADLN COc1ccc(S(=O)(=O)Nc2nnc(Cc3ccc(Cl)cc3)o2)cc1C ZINC000194816538 1433239197 /nfs/dbraw/zinc/23/91/97/1433239197.db2.gz OWLZRQSMYLXKMB-UHFFFAOYSA-N 0 2 393.852 3.432 20 0 GGADLN O=S(=O)(Nc1nnc([C@H]2Cc3ccccc3O2)o1)c1cccc2cnccc21 ZINC000194829506 1433242714 /nfs/dbraw/zinc/24/27/14/1433242714.db2.gz WNUQPQPGWYMOSA-MRXNPFEDSA-N 0 2 394.412 3.095 20 0 GGADLN CCc1ccccc1S(=O)(=O)Nc1nnc(CCc2ccc(OC)cc2)o1 ZINC000194833308 1433243598 /nfs/dbraw/zinc/24/35/98/1433243598.db2.gz JKDVKJJSJFUUQS-UHFFFAOYSA-N 0 2 387.461 3.227 20 0 GGADLN COc1ccc(CCc2nnc(NS(=O)(=O)c3ccc(C)c(C)c3)o2)cc1 ZINC000194833880 1433244076 /nfs/dbraw/zinc/24/40/76/1433244076.db2.gz YRAPSYADANVOKH-UHFFFAOYSA-N 0 2 387.461 3.281 20 0 GGADLN Cc1ccc(-c2nnc(NS(=O)(=O)c3ccc4c(c3)C[C@H](C)O4)o2)c(C)c1 ZINC000194835512 1433244821 /nfs/dbraw/zinc/24/48/21/1433244821.db2.gz VJHLAYCRRUYSMS-ZDUSSCGKSA-N 0 2 385.445 3.478 20 0 GGADLN Cc1ccc(-c2nnc(NS(=O)(=O)c3cnc(-c4ccccc4)nc3)o2)s1 ZINC000194837292 1433245249 /nfs/dbraw/zinc/24/52/49/1433245249.db2.gz CUATWWUCUOQHOF-UHFFFAOYSA-N 0 2 399.457 3.364 20 0 GGADLN CC(=O)Nc1cc(S(=O)(=O)Nc2nnc(-c3ccc(C)s3)o2)ccc1C ZINC000194840071 1433245697 /nfs/dbraw/zinc/24/56/97/1433245697.db2.gz YLAZVGAGLMXRNP-UHFFFAOYSA-N 0 2 392.462 3.174 20 0 GGADLN Cc1ccc(-c2nnc(NS(=O)(=O)c3c(C)nn(CC(C)C)c3C)o2)s1 ZINC000194841439 1433246196 /nfs/dbraw/zinc/24/61/96/1433246196.db2.gz GXCWHBZYSMMOTD-UHFFFAOYSA-N 0 2 395.510 3.377 20 0 GGADLN CCOc1ccc(S(=O)(=O)Nc2nnc(CCc3ccccc3)o2)c(C)c1 ZINC000194844464 1433246679 /nfs/dbraw/zinc/24/66/79/1433246679.db2.gz FFDVETZEDBCVSX-UHFFFAOYSA-N 0 2 387.461 3.363 20 0 GGADLN O=S(=O)(Nc1nnc(CCc2ccccc2)o1)c1ccccc1OC(F)F ZINC000194845480 1433246918 /nfs/dbraw/zinc/24/69/18/1433246918.db2.gz KNQGLZDOTFDJNA-UHFFFAOYSA-N 0 2 395.387 3.257 20 0 GGADLN COc1cc(C)c(S(=O)(=O)Nc2nnc(CCc3ccccc3)o2)cc1C ZINC000194846250 1433247634 /nfs/dbraw/zinc/24/76/34/1433247634.db2.gz MYXVBMLYPKFPKA-UHFFFAOYSA-N 0 2 387.461 3.281 20 0 GGADLN O=S(=O)(Nc1nnc(CCc2ccccc2)o1)c1cc(F)c(F)c(F)c1 ZINC000194847580 1433248120 /nfs/dbraw/zinc/24/81/20/1433248120.db2.gz NSTNQAVNHOAFGD-UHFFFAOYSA-N 0 2 383.351 3.073 20 0 GGADLN CN1CCCc2ccc(S(=O)(=O)Nc3nnc(CC4CCCCC4)o3)cc21 ZINC000194898155 1433259870 /nfs/dbraw/zinc/25/98/70/1433259870.db2.gz LZNXSDVPEYYKCB-UHFFFAOYSA-N 0 2 390.509 3.376 20 0 GGADLN CN(C)c1cccc(-c2nnc(NS(=O)(=O)c3ccc(F)cc3Cl)o2)c1 ZINC000194904815 1433261760 /nfs/dbraw/zinc/26/17/60/1433261760.db2.gz CAVIWDDKQOTKQT-UHFFFAOYSA-N 0 2 396.831 3.396 20 0 GGADLN CN(C)c1cccc(-c2nnc(NS(=O)(=O)c3ccc4c(c3)CCCC4)o2)c1 ZINC000194906628 1433261799 /nfs/dbraw/zinc/26/17/99/1433261799.db2.gz DWIAJDOPOOLSGD-UHFFFAOYSA-N 0 2 398.488 3.482 20 0 GGADLN O=S(=O)(Nc1nnc(CCCc2cccs2)o1)c1ccc(Cl)nc1 ZINC000194929553 1433266565 /nfs/dbraw/zinc/26/65/65/1433266565.db2.gz BYAVCTGKQVMWLJ-UHFFFAOYSA-N 0 2 384.870 3.156 20 0 GGADLN O=C(c1ccc(F)cc1)C1CCN(C(=O)C2=NN(c3ccccc3)CC2=O)CC1 ZINC000194933191 1433267483 /nfs/dbraw/zinc/26/74/83/1433267483.db2.gz GSDIFHSWWHYBRV-UHFFFAOYSA-N 0 2 393.418 3.452 20 0 GGADLN COCc1cccc(S(=O)(=O)Nc2nnc(C(C)(C)c3ccccc3)o2)c1 ZINC000194939926 1433268700 /nfs/dbraw/zinc/26/87/00/1433268700.db2.gz RXDYJUMTQOMWGI-UHFFFAOYSA-N 0 2 387.461 3.343 20 0 GGADLN COc1ccc(S(=O)(=O)Nc2nnc(C(C)(C)c3ccccc3)o2)cc1F ZINC000194941133 1433269088 /nfs/dbraw/zinc/26/90/88/1433269088.db2.gz NOYSHPAJBYZLFJ-UHFFFAOYSA-N 0 2 391.424 3.344 20 0 GGADLN CC(C)(c1nnc(NS(=O)(=O)c2ccc(F)cc2F)o1)c1ccccc1 ZINC000194941013 1433269158 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CC[C@@H](c1nnc(NS(=O)(=O)c2cn(CC(C)C)cn2)o1)c1ccccc1 ZINC000194955635 1433272029 /nfs/dbraw/zinc/27/20/29/1433272029.db2.gz LWWVXOKMNSQXCC-OAHLLOKOSA-N 0 2 389.481 3.265 20 0 GGADLN CC[C@@H](c1nnc(NS(=O)(=O)c2ccc3c(c2)CCO3)o1)c1ccccc1 ZINC000194957823 1433272356 /nfs/dbraw/zinc/27/23/56/1433272356.db2.gz JHRLDSWQLXEKLX-MRXNPFEDSA-N 0 2 385.445 3.347 20 0 GGADLN COc1ccc(S(=O)(=O)Nc2nnc(Cc3ccccc3Cl)o2)cc1C ZINC000194966132 1433273685 /nfs/dbraw/zinc/27/36/85/1433273685.db2.gz WKMXCROKEWYQCI-UHFFFAOYSA-N 0 2 393.852 3.432 20 0 GGADLN Cc1cccc(S(=O)(=O)Nc2nnc(-c3cnn(-c4ccccc4)c3)o2)c1 ZINC000194968100 1433273965 /nfs/dbraw/zinc/27/39/65/1433273965.db2.gz HRKFXPWPRRPKQP-UHFFFAOYSA-N 0 2 381.417 3.032 20 0 GGADLN Cc1cccc(F)c1S(=O)(=O)Nc1nnc(-c2cnn(-c3ccccc3)c2)o1 ZINC000194968030 1433274245 /nfs/dbraw/zinc/27/42/45/1433274245.db2.gz BSVHJDSAOSRQAQ-UHFFFAOYSA-N 0 2 399.407 3.171 20 0 GGADLN Cc1ccc(F)cc1S(=O)(=O)Nc1nnc(-c2cnn(-c3ccccc3)c2)o1 ZINC000194968229 1433274421 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3.096 20 0 GGADLN CC(C)(C)C(=O)NC1CCC(C(=O)Nc2nc(-c3ccccc3F)n[nH]2)CC1 ZINC000280716597 1435708287 /nfs/dbraw/zinc/70/82/87/1435708287.db2.gz UAECVKSADOJSNX-UHFFFAOYSA-N 0 2 387.459 3.270 20 0 GGADLN O=C(c1cc(-c2ccccc2)cc(Cl)c1O)N1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC000281776792 1435821608 /nfs/dbraw/zinc/82/16/08/1435821608.db2.gz RFPNZKBCERPVDD-PBHICJAKSA-N 0 2 386.835 3.283 20 0 GGADLN CC(C)(C)Nc1ccccc1NS(=O)(=O)c1cnn(C2CCOCC2)c1 ZINC000282023857 1435831508 /nfs/dbraw/zinc/83/15/08/1435831508.db2.gz PKFFVRRSKIUUKF-UHFFFAOYSA-N 0 2 378.498 3.246 20 0 GGADLN Cc1cc(C(F)(F)F)ccc1S(=O)(=O)Nc1cc([C@@H]2CCCO2)nn1C ZINC000282234687 1435839478 /nfs/dbraw/zinc/83/94/78/1435839478.db2.gz COERSRDPMCPQNN-ZDUSSCGKSA-N 0 2 389.399 3.400 20 0 GGADLN Cc1cc(C(F)(F)F)ccc1S(=O)(=O)Nc1cc([C@H]2CCCO2)nn1C ZINC000282234682 1435839544 /nfs/dbraw/zinc/83/95/44/1435839544.db2.gz COERSRDPMCPQNN-CYBMUJFWSA-N 0 2 389.399 3.400 20 0 GGADLN C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCN2C(=O)C2=NN(c3ccc(F)cc3)CC2=O)C1 ZINC000282289545 1435841803 /nfs/dbraw/zinc/84/18/03/1435841803.db2.gz XEFDIFUOWUNKSD-QCSYZSNVSA-N 0 2 387.455 3.119 20 0 GGADLN Cc1cc(C(F)(F)F)ccc1S(=O)(=O)Nc1cc(C2CCOCC2)n[nH]1 ZINC000282327087 1435843197 /nfs/dbraw/zinc/84/31/97/1435843197.db2.gz PITFRULSVXXALA-UHFFFAOYSA-N 0 2 389.399 3.432 20 0 GGADLN O=C(NCc1nnc(COc2ccccc2)[nH]1)NC[C@@H]1CCCC(F)(F)C1 ZINC000283930427 1435956014 /nfs/dbraw/zinc/95/60/14/1435956014.db2.gz VSVCWYJEPUJISU-CYBMUJFWSA-N 0 2 379.411 3.008 20 0 GGADLN CC(C)n1nccc1[C@@H]1OCCC[C@H]1C(=O)Nc1nc(-c2ccccc2F)n[nH]1 ZINC000284535302 1436028722 /nfs/dbraw/zinc/02/87/22/1436028722.db2.gz GVYBSFDLLSVZHT-RHSMWYFYSA-N 0 2 398.442 3.495 20 0 GGADLN CC[C@H](c1ccccc1)[N@H+](CC(=O)OC)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000825159326 1441628304 /nfs/dbraw/zinc/62/83/04/1441628304.db2.gz NNKUOEUPTOJFOM-GOSISDBHSA-N 0 2 383.427 3.132 20 0 GGADLN CC[C@H](c1ccccc1)[N@@H+](CC(=O)OC)Cc1ccc(F)c(-c2nnn[n-]2)c1 ZINC000825159326 1441628310 /nfs/dbraw/zinc/62/83/10/1441628310.db2.gz NNKUOEUPTOJFOM-GOSISDBHSA-N 0 2 383.427 3.132 20 0 GGADLN C[C@@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)c1cccc(-c2nnn[n-]2)c1 ZINC000820413719 1441759593 /nfs/dbraw/zinc/75/95/93/1441759593.db2.gz UVFJPTLJLUFQCA-MRXNPFEDSA-N 0 2 394.498 3.364 20 0 GGADLN C[C@@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)c1cccc(-c2nn[n-]n2)c1 ZINC000820413719 1441759598 /nfs/dbraw/zinc/75/95/98/1441759598.db2.gz UVFJPTLJLUFQCA-MRXNPFEDSA-N 0 2 394.498 3.364 20 0 GGADLN C[C@H]1CC[C@@H](C(F)(F)F)C[N@@H+]1Cc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000824907515 1441943812 /nfs/dbraw/zinc/94/38/12/1441943812.db2.gz IEOCVQVPQZPHDE-GXFFZTMASA-N 0 2 393.373 3.080 20 0 GGADLN C[C@H]1CC[C@@H](C(F)(F)F)C[N@H+]1Cc1nnc(-c2ccc(-c3nnn[n-]3)cc2)o1 ZINC000824907515 1441943814 /nfs/dbraw/zinc/94/38/14/1441943814.db2.gz IEOCVQVPQZPHDE-GXFFZTMASA-N 0 2 393.373 3.080 20 0 GGADLN Cc1ccc(-c2nnn[n-]2)c(N[C@@H]2CCN(c3ccc(C(F)(F)F)cc3)C2)[nH+]1 ZINC000826276176 1442034851 /nfs/dbraw/zinc/03/48/51/1442034851.db2.gz WZYQLKXMEOGTAH-CYBMUJFWSA-N 0 2 389.385 3.280 20 0 GGADLN CCO[C@H](C)c1nc(C[N@H+](C)Cc2cn3ccccc3c2-c2nnn[n-]2)cs1 ZINC000821345920 1442147326 /nfs/dbraw/zinc/14/73/26/1442147326.db2.gz ABISWDJNNFXDFN-CYBMUJFWSA-N 0 2 397.508 3.305 20 0 GGADLN CCO[C@H](C)c1nc(C[N@@H+](C)Cc2cn3ccccc3c2-c2nnn[n-]2)cs1 ZINC000821345920 1442147330 /nfs/dbraw/zinc/14/73/30/1442147330.db2.gz ABISWDJNNFXDFN-CYBMUJFWSA-N 0 2 397.508 3.305 20 0 GGADLN C[C@H]([NH2+]Cc1nnc(-c2ccccc2)s1)c1ccc(-c2nnn[n-]2)c(F)c1 ZINC000824632500 1442156026 /nfs/dbraw/zinc/15/60/26/1442156026.db2.gz APNYCKQPVGFHIU-NSHDSACASA-N 0 2 381.440 3.375 20 0 GGADLN C[C@@H]([NH2+][C@H](C)c1ccc(-c2nnn[n-]2)cc1)c1ncc(Br)s1 ZINC000824530442 1442242793 /nfs/dbraw/zinc/24/27/93/1442242793.db2.gz LNPMRLCYPCLQGD-RKDXNWHRSA-N 0 2 379.287 3.498 20 0 GGADLN FC(F)(F)c1cc(N2CC[C@@H](CNc3cccc[nH+]3)C2)ccc1-c1nnn[n-]1 ZINC000737632579 1442248061 /nfs/dbraw/zinc/24/80/61/1442248061.db2.gz LLUWJMMRNAQKSC-LBPRGKRZSA-N 0 2 389.385 3.219 20 0 GGADLN C[C@@H](c1cccc(F)c1)[NH+]1CCN(Cc2cc(-c3nnn[n-]3)ccc2F)CC1 ZINC000824770128 1442399022 /nfs/dbraw/zinc/39/90/22/1442399022.db2.gz FFHPXOLAZYWIKV-AWEZNQCLSA-N 0 2 384.434 3.024 20 0 GGADLN CC[C@@H]([NH2+][C@@H](C)c1ccc(-c2nnn[n-]2)cc1F)c1nnc2n1CCCCC2 ZINC000825140509 1442411852 /nfs/dbraw/zinc/41/18/52/1442411852.db2.gz KFBQRPCWAGEWBD-BLLLJJGKSA-N 0 2 384.463 3.126 20 0 GGADLN CCCC[C@H](CNC(=O)OC(C)(C)C)Nc1[nH+]c(C)ccc1-c1nnn[n-]1 ZINC000825261005 1443065097 /nfs/dbraw/zinc/06/50/97/1443065097.db2.gz SDVQJLCZYRNACA-CYBMUJFWSA-N 0 2 375.477 3.066 20 0 GGADLN CC[NH+](Cc1ccc(-c2nn[n-]n2)cc1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000821222445 1443218733 /nfs/dbraw/zinc/21/87/33/1443218733.db2.gz SHDPGFKNHYVTEW-FQEVSTJZSA-N 0 2 376.508 3.211 20 0 GGADLN CC[NH+](Cc1ccc(-c2nn[n-]n2)cc1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000821222445 1443218736 /nfs/dbraw/zinc/21/87/36/1443218736.db2.gz SHDPGFKNHYVTEW-FQEVSTJZSA-N 0 2 376.508 3.211 20 0 GGADLN Fc1ccc([C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)cc2F)c2cccnc2)cc1 ZINC000822767119 1443303392 /nfs/dbraw/zinc/30/33/92/1443303392.db2.gz XJRHXNTZFFKLRY-IBGZPJMESA-N 0 2 378.386 3.419 20 0 GGADLN c1coc(-c2cc(C[NH+]3CCC(Oc4ccc(-c5nnn[n-]5)cc4)CC3)no2)c1 ZINC000738447464 1443402951 /nfs/dbraw/zinc/40/29/51/1443402951.db2.gz FTLWYMNCLLOQSY-UHFFFAOYSA-N 0 2 392.419 3.158 20 0 GGADLN COc1ccc([C@H]([NH2+]Cc2ccc(-c3nnn[n-]3)o2)c2ccccc2OC)cc1 ZINC000826189006 1443455090 /nfs/dbraw/zinc/45/50/90/1443455090.db2.gz LHYVSZZFABOMPN-FQEVSTJZSA-N 0 2 391.431 3.356 20 0 GGADLN C[NH+](C)[C@H](CNc1cc(-c2nnn[n-]2)nc2ccccc21)c1c(F)cccc1F ZINC000821581245 1443821487 /nfs/dbraw/zinc/82/14/87/1443821487.db2.gz HDAMFBBCINYITA-GOSISDBHSA-N 0 2 395.417 3.408 20 0 GGADLN Cn1cccc1[C@H]1CCCC[N@@H+]1CC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000822694167 1443900307 /nfs/dbraw/zinc/90/03/07/1443900307.db2.gz XTKPRDINDWVCOC-QGZVFWFLSA-N 0 2 399.886 3.024 20 0 GGADLN Cn1cccc1[C@H]1CCCC[N@H+]1CC(=O)Nc1ccc(-c2nnn[n-]2)c(Cl)c1 ZINC000822694167 1443900309 /nfs/dbraw/zinc/90/03/09/1443900309.db2.gz XTKPRDINDWVCOC-QGZVFWFLSA-N 0 2 399.886 3.024 20 0 GGADLN COc1ccc(-c2nc(C[NH2+]Cc3cc(-c4nnn[n-]4)ccc3F)cs2)cc1 ZINC000821732693 1443949378 /nfs/dbraw/zinc/94/93/78/1443949378.db2.gz SDGIXDFGAWKCLA-UHFFFAOYSA-N 0 2 396.451 3.428 20 0 GGADLN C[C@@H](c1cccc(F)c1)[NH+]1CCN(Cc2cccc(-c3nnn[n-]3)c2F)CC1 ZINC000824771153 1446203459 /nfs/dbraw/zinc/20/34/59/1446203459.db2.gz PRQDSCWOHAMYNU-AWEZNQCLSA-N 0 2 384.434 3.024 20 0 GGADLN Brc1cc(-c2nnn[n-]2)ccc1C[N@@H+]1CCOC2(CCCCC2)C1 ZINC000823821707 1446296373 /nfs/dbraw/zinc/29/63/73/1446296373.db2.gz YBEQHPYDOVDAAD-UHFFFAOYSA-N 0 2 392.301 3.164 20 0 GGADLN Brc1cc(-c2nnn[n-]2)ccc1C[N@H+]1CCOC2(CCCCC2)C1 ZINC000823821707 1446296376 /nfs/dbraw/zinc/29/63/76/1446296376.db2.gz YBEQHPYDOVDAAD-UHFFFAOYSA-N 0 2 392.301 3.164 20 0 GGADLN Cc1cccc([C@@H](O)CN(Cc2ccccc2)c2[nH+]cccc2-c2nnn[n-]2)c1 ZINC000822289471 1446317231 /nfs/dbraw/zinc/31/72/31/1446317231.db2.gz YCRMUPXHODHENL-FQEVSTJZSA-N 0 2 386.459 3.310 20 0 GGADLN C[C@H]([NH2+]Cc1nc(-c2ccc(F)c(F)c2)no1)c1cccc(-c2nnn[n-]2)c1 ZINC000824626408 1446395628 /nfs/dbraw/zinc/39/56/28/1446395628.db2.gz ODMYUZMHSZWHNR-JTQLQIEISA-N 0 2 383.362 3.046 20 0 GGADLN C[C@@H]([NH2+]Cc1cc(-c2nnn[n-]2)cs1)c1nc(-c2ccc(Cl)cc2)no1 ZINC000820425895 1446399307 /nfs/dbraw/zinc/39/93/07/1446399307.db2.gz CHQWOCCBTKNRSS-SECBINFHSA-N 0 2 387.856 3.482 20 0 GGADLN O=C(OCCn1cc[nH+]c1)c1ccccc1Sc1ccccc1-c1nnn[n-]1 ZINC000826464317 1446446835 /nfs/dbraw/zinc/44/68/35/1446446835.db2.gz RTNVBHBDXYWNJK-UHFFFAOYSA-N 0 2 392.444 3.071 20 0 GGADLN COc1cccc(C[N@H+](C)Cc2ccc(-c3nnn[n-]3)cc2Br)c1 ZINC000826216305 1446449784 /nfs/dbraw/zinc/44/97/84/1446449784.db2.gz SBJYPEKJNNRSQX-UHFFFAOYSA-N 0 2 388.269 3.270 20 0 GGADLN COc1cccc(C[N@@H+](C)Cc2ccc(-c3nnn[n-]3)cc2Br)c1 ZINC000826216305 1446449787 /nfs/dbraw/zinc/44/97/87/1446449787.db2.gz SBJYPEKJNNRSQX-UHFFFAOYSA-N 0 2 388.269 3.270 20 0 GGADLN Clc1ccc(O[C@@H]2CCN(c3[nH+]cccc3-c3nnn[n-]3)C2)cc1Cl ZINC000822579222 1446488818 /nfs/dbraw/zinc/48/88/18/1446488818.db2.gz YFPPFFGMYCCUBX-LLVKDONJSA-N 0 2 377.235 3.226 20 0 GGADLN C[NH+](C)[C@H](CNc1c(-c2nnn[n-]2)cnc2ccccc21)c1ccccc1Cl ZINC000736762760 1446527249 /nfs/dbraw/zinc/52/72/49/1446527249.db2.gz XCWLJQUBMCKYQX-GOSISDBHSA-N 0 2 393.882 3.205 20 0 GGADLN Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1C[N@@H+]1CCC[C@H]1c1ccccc1 ZINC000737525616 1446549546 /nfs/dbraw/zinc/54/95/46/1446549546.db2.gz UZBQVILVECUSME-IBGZPJMESA-N 0 2 386.463 3.228 20 0 GGADLN Cc1nnc(-c2cccc(-c3nnn[n-]3)c2)n1C[N@H+]1CCC[C@H]1c1ccccc1 ZINC000737525616 1446549550 /nfs/dbraw/zinc/54/95/50/1446549550.db2.gz UZBQVILVECUSME-IBGZPJMESA-N 0 2 386.463 3.228 20 0 GGADLN O=C(OCCn1cc[nH+]c1)c1ccc(Sc2ccccc2-c2nnn[n-]2)cc1 ZINC000826464482 1446617646 /nfs/dbraw/zinc/61/76/46/1446617646.db2.gz XZJMJWJAOGNVNC-UHFFFAOYSA-N 0 2 392.444 3.071 20 0 GGADLN CC(C)(C)c1ccc(C=CC(=O)OCCNc2[nH+]cccc2-c2nnn[n-]2)cc1 ZINC000735651960 1446656661 /nfs/dbraw/zinc/65/66/61/1446656661.db2.gz ZBNFWPREXQCXSX-DHZHZOJOSA-N 0 2 392.463 3.228 20 0 GGADLN Fc1ccc(-c2c[nH]c([C@H]3CCC[N@@H+]3Cc3ccnc(-c4nnn[n-]4)c3)n2)cc1 ZINC000826373005 1446750812 /nfs/dbraw/zinc/75/08/12/1446750812.db2.gz VSIYMABHZGUZAJ-GOSISDBHSA-N 0 2 390.426 3.128 20 0 GGADLN Fc1ccc(-c2c[nH]c([C@H]3CCC[N@H+]3Cc3ccnc(-c4nnn[n-]4)c3)n2)cc1 ZINC000826373005 1446750816 /nfs/dbraw/zinc/75/08/16/1446750816.db2.gz VSIYMABHZGUZAJ-GOSISDBHSA-N 0 2 390.426 3.128 20 0 GGADLN Cc1c([C@H](C)[NH2+]C2(c3cccc(-c4nnn[n-]4)c3)CC2)nnn1-c1ccccc1 ZINC000826236137 1446925034 /nfs/dbraw/zinc/92/50/34/1446925034.db2.gz ZLRANPCHUJFWHB-AWEZNQCLSA-N 0 2 386.463 3.096 20 0 GGADLN CCC[N@H+](Cc1ncc(Br)s1)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000825323578 1446946814 /nfs/dbraw/zinc/94/68/14/1446946814.db2.gz YSTFVOVZSIVHAM-UHFFFAOYSA-N 0 2 393.314 3.498 20 0 GGADLN CCC[N@@H+](Cc1ncc(Br)s1)Cc1ccc(-c2nnn[n-]2)cc1 ZINC000825323578 1446946816 /nfs/dbraw/zinc/94/68/16/1446946816.db2.gz YSTFVOVZSIVHAM-UHFFFAOYSA-N 0 2 393.314 3.498 20 0 GGADLN C[C@@H]1CCN(c2ccc(-c3nnn[n-]3)cc2C(F)(F)F)C[C@@H]1n1cc[nH+]c1 ZINC000820727635 1446954992 /nfs/dbraw/zinc/95/49/92/1446954992.db2.gz NCTXEHQQWIIWPY-ABAIWWIYSA-N 0 2 377.374 3.170 20 0 GGADLN CCC[N@H+](CC(=O)OCC)Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000736471811 1446960184 /nfs/dbraw/zinc/96/01/84/1446960184.db2.gz WSGZZSIWAQEYOH-UHFFFAOYSA-N 0 2 379.464 3.309 20 0 GGADLN CCC[N@@H+](CC(=O)OCC)Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1 ZINC000736471811 1446960186 /nfs/dbraw/zinc/96/01/86/1446960186.db2.gz WSGZZSIWAQEYOH-UHFFFAOYSA-N 0 2 379.464 3.309 20 0 GGADLN Cc1nccn1[C@@H]1CCCN(c2c(-c3nnn[n-]3)c[nH+]c3c(C)cc(C)cc32)C1 ZINC000822195441 1446994186 /nfs/dbraw/zinc/99/41/86/1446994186.db2.gz RQYIWPFNXCKRJG-MRXNPFEDSA-N 0 2 388.479 3.378 20 0 GGADLN Cc1cc([C@@H](C)[NH2+]Cc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)ccc1F ZINC000826262067 1447016120 /nfs/dbraw/zinc/01/61/20/1447016120.db2.gz DGZFJENTFIUWAK-GFCCVEGCSA-N 0 2 379.399 3.215 20 0 GGADLN CSc1ccc(C[NH+]2CCN(c3ccc(-c4nnn[n-]4)cc3F)CC2)cc1 ZINC000737192740 1447141104 /nfs/dbraw/zinc/14/11/04/1447141104.db2.gz ZPQXOPZCZUHRGC-UHFFFAOYSA-N 0 2 384.484 3.050 20 0 GGADLN Cc1cc[nH+]c(NC(C)(C)COc2ccc(C(F)(F)F)cn2)c1-c1nnn[n-]1 ZINC000826311877 1447303517 /nfs/dbraw/zinc/30/35/17/1447303517.db2.gz QBZWRCUEMDIUMW-UHFFFAOYSA-N 0 2 393.373 3.253 20 0 GGADLN Cc1ccc([C@H](C)[NH2+]Cc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)cc1C ZINC000826283729 1449026133 /nfs/dbraw/zinc/02/61/33/1449026133.db2.gz YVPPXWSJROSYDO-AWEZNQCLSA-N 0 2 375.436 3.384 20 0 GGADLN Cc1ccc([C@@H](C)[NH2+]Cc2nnc(-c3ccc(-c4nnn[n-]4)cc3)o2)cc1C ZINC000826283730 1449088062 /nfs/dbraw/zinc/08/80/62/1449088062.db2.gz YVPPXWSJROSYDO-CQSZACIVSA-N 0 2 375.436 3.384 20 0 GGADLN Cc1nc(Nc2ccc(OCc3cccc(-c4nnn[n-]4)c3)c(F)c2)cc[nH+]1 ZINC000822472068 1449143509 /nfs/dbraw/zinc/14/35/09/1449143509.db2.gz NYKDJORGLIBRPS-UHFFFAOYSA-N 0 2 377.383 3.427 20 0 GGADLN COc1cccc(Oc2ncccc2CNc2[nH+]c(C)ccc2-c2nnn[n-]2)c1 ZINC000826217652 1449186443 /nfs/dbraw/zinc/18/64/43/1449186443.db2.gz WMKSVVACEBNHPX-UHFFFAOYSA-N 0 2 389.419 3.378 20 0 GGADLN Cc1cc(N2CCN(c3cccc(Cl)c3-c3nnn[n-]3)CC2)nc(C(C)C)[nH+]1 ZINC000822206896 1449210636 /nfs/dbraw/zinc/21/06/36/1449210636.db2.gz CGWRSPDISIHBIK-UHFFFAOYSA-N 0 2 398.902 3.069 20 0 GGADLN Cc1c(NC(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)cccc1-c1nnn[n-]1 ZINC000822096473 1449327217 /nfs/dbraw/zinc/32/72/17/1449327217.db2.gz NXIHJNJPYSPVPU-KRWDZBQOSA-N 0 2 399.886 3.253 20 0 GGADLN CCC[N@H+](Cc1cc(-c2nnn[n-]2)ccc1F)[C@H](C)C(=O)Nc1ccccc1 ZINC000736478865 1449371912 /nfs/dbraw/zinc/37/19/12/1449371912.db2.gz FITLUAMCHLIQGE-CQSZACIVSA-N 0 2 382.443 3.245 20 0 GGADLN CCC[N@@H+](Cc1cc(-c2nnn[n-]2)ccc1F)[C@H](C)C(=O)Nc1ccccc1 ZINC000736478865 1449371919 /nfs/dbraw/zinc/37/19/19/1449371919.db2.gz FITLUAMCHLIQGE-CQSZACIVSA-N 0 2 382.443 3.245 20 0 GGADLN CCc1oc2ccccc2c1C[N@H+](C)CC(=O)Nc1sccc1-c1nnn[n-]1 ZINC000736712598 1449438277 /nfs/dbraw/zinc/43/82/77/1449438277.db2.gz HWXHSVQDEVCMTQ-UHFFFAOYSA-N 0 2 396.476 3.307 20 0 GGADLN CCc1oc2ccccc2c1C[N@@H+](C)CC(=O)Nc1sccc1-c1nnn[n-]1 ZINC000736712598 1449438281 /nfs/dbraw/zinc/43/82/81/1449438281.db2.gz HWXHSVQDEVCMTQ-UHFFFAOYSA-N 0 2 396.476 3.307 20 0 GGADLN Cn1cc[nH+]c1C[C@@H](Nc1snc(Cl)c1-c1nnn[n-]1)c1ccccc1 ZINC000822698671 1449445118 /nfs/dbraw/zinc/44/51/18/1449445118.db2.gz AMMRERJKJQSLPM-LLVKDONJSA-N 0 2 386.872 3.106 20 0 GGADLN CC1(C)Cc2cccc(C[N@@H+]3CCO[C@H](c4cccc(-c5nnn[n-]5)c4)C3)c2O1 ZINC000824812114 1449498214 /nfs/dbraw/zinc/49/82/14/1449498214.db2.gz JDLFVWFDXBMKKQ-IBGZPJMESA-N 0 2 391.475 3.154 20 0 GGADLN CC1(C)Cc2cccc(C[N@H+]3CCO[C@H](c4cccc(-c5nnn[n-]5)c4)C3)c2O1 ZINC000824812114 1449498216 /nfs/dbraw/zinc/49/82/16/1449498216.db2.gz JDLFVWFDXBMKKQ-IBGZPJMESA-N 0 2 391.475 3.154 20 0 GGADLN CC[C@H]([NH2+][C@H](C)c1ccc(-c2nnn[n-]2)cc1F)c1nnc2n1CCCCC2 ZINC000825140515 1449564248 /nfs/dbraw/zinc/56/42/48/1449564248.db2.gz KFBQRPCWAGEWBD-WBMJQRKESA-N 0 2 384.463 3.126 20 0 GGADLN C[C@H](C(=O)Nc1cccc(-c2nnn[n-]2)c1)[N@H+](C)Cc1ccc(Cl)c(F)c1 ZINC000824046835 1449827105 /nfs/dbraw/zinc/82/71/05/1449827105.db2.gz VZEOSMHXFDLHMW-LLVKDONJSA-N 0 2 388.834 3.118 20 0 GGADLN C[C@H](C(=O)Nc1cccc(-c2nnn[n-]2)c1)[N@@H+](C)Cc1ccc(Cl)c(F)c1 ZINC000824046835 1449827110 /nfs/dbraw/zinc/82/71/10/1449827110.db2.gz VZEOSMHXFDLHMW-LLVKDONJSA-N 0 2 388.834 3.118 20 0 GGADLN O=C(Cn1cc[nH+]c1)Nc1ccc(Oc2ccc(-c3nnn[n-]3)cc2)c(Cl)c1 ZINC000823123196 1449976620 /nfs/dbraw/zinc/97/66/20/1449976620.db2.gz RNPOHSXSMQMGDA-UHFFFAOYSA-N 0 2 395.810 3.148 20 0 GGADLN COc1cc(-c2nnn[n-]2)ccc1C[N@@H+]1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000826170086 1450023579 /nfs/dbraw/zinc/02/35/79/1450023579.db2.gz NZIJZOLGOWJUMM-GOSISDBHSA-N 0 2 385.855 3.102 20 0 GGADLN COc1cc(-c2nnn[n-]2)ccc1C[N@H+]1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000826170086 1450023583 /nfs/dbraw/zinc/02/35/83/1450023583.db2.gz NZIJZOLGOWJUMM-GOSISDBHSA-N 0 2 385.855 3.102 20 0 GGADLN Cc1csc([C@@H]2CCCC[N@@H+]2Cc2cnc3ccc(-c4nnn[n-]4)cn23)n1 ZINC000826320075 1450031506 /nfs/dbraw/zinc/03/15/06/1450031506.db2.gz FXMMCXDAHIWEDN-HNNXBMFYSA-N 0 2 380.481 3.007 20 0 GGADLN Cc1csc([C@@H]2CCCC[N@H+]2Cc2cnc3ccc(-c4nnn[n-]4)cn23)n1 ZINC000826320075 1450031513 /nfs/dbraw/zinc/03/15/13/1450031513.db2.gz FXMMCXDAHIWEDN-HNNXBMFYSA-N 0 2 380.481 3.007 20 0 GGADLN Cc1ccc([C@H]2CCCCC[N@@H+]2CC(=O)NCc2cccc(-c3nnn[n-]3)c2)o1 ZINC000737329857 1450169431 /nfs/dbraw/zinc/16/94/31/1450169431.db2.gz LGLGAYWQOLGWTI-GOSISDBHSA-N 0 2 394.479 3.002 20 0 GGADLN Cc1ccc([C@H]2CCCCC[N@H+]2CC(=O)NCc2cccc(-c3nnn[n-]3)c2)o1 ZINC000737329857 1450169436 /nfs/dbraw/zinc/16/94/36/1450169436.db2.gz LGLGAYWQOLGWTI-GOSISDBHSA-N 0 2 394.479 3.002 20 0 GGADLN