smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name CCC[N@H+](CC)CCn1c(-c2cnn(C)c2)nnc1N1CCC[NH+](Cc2cnn(C)c2)CC1 ZINC001500784079 1069311189 /nfs/dbraw/zinc/31/11/89/1069311189.db2.gz LAQRLORRRITHFP-UHFFFAOYSA-N 2 0 454.627 1.856 20 0 JDADRP CCC[N@H+](CC)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC001500788237 1069312791 /nfs/dbraw/zinc/31/27/91/1069312791.db2.gz ZUYZMQARAKEUII-QFIPXVFZSA-N 2 0 474.698 1.956 20 0 JDADRP CCC[N@H+](CC)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001500789987 1069314522 /nfs/dbraw/zinc/31/45/22/1069314522.db2.gz MZGGBYBYFHAZBQ-LJQANCHMSA-N 2 0 485.699 1.263 20 0 JDADRP CCC[NH+]1CCC(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)CC1 ZINC001500921965 1069330441 /nfs/dbraw/zinc/33/04/41/1069330441.db2.gz MMDIIEUXVBXXEP-CMKODMSKSA-N 2 0 467.684 1.683 20 0 JDADRP CCC[N@@H+]1CC[C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC([NH2+]C(C)C)CC2)C1 ZINC001500922887 1069331160 /nfs/dbraw/zinc/33/11/60/1069331160.db2.gz SAOMCBAGLPPDEQ-ROUUACIJSA-N 2 0 455.673 1.587 20 0 JDADRP CCC[N@@H+]1CC[C@@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC([NH2+]C(C)C)CC2)C1 ZINC001500922888 1069331327 /nfs/dbraw/zinc/33/13/27/1069331327.db2.gz SAOMCBAGLPPDEQ-ZWKOTPCHSA-N 2 0 455.673 1.587 20 0 JDADRP CCC[NH+]1CCC(N(C)c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC001500965487 1069342124 /nfs/dbraw/zinc/34/21/24/1069342124.db2.gz CTNYOTHDZMLUFR-ZEQRLZLVSA-N 2 0 464.655 1.696 20 0 JDADRP CCC[NH+]1CCC(N(C)c2nnc([C@@H]3CCC(=O)N3)n2CCCN2CC[NH+](CC)CC2)CC1 ZINC001500972404 1069342750 /nfs/dbraw/zinc/34/27/50/1069342750.db2.gz FSHLURCKEWMBOW-NRFANRHFSA-N 2 0 460.671 1.567 20 0 JDADRP C[NH+](C)C[C@@H]1CN(S(=O)(=O)[C@H]2CCCN(C(=O)c3cccc(Cl)c3)C2)C[C@H]1C[NH+](C)C ZINC001475575413 1069497186 /nfs/dbraw/zinc/49/71/86/1069497186.db2.gz HNHCWVAYLYRKEU-SBHAEUEKSA-N 2 0 471.067 1.946 20 0 JDADRP C[NH+](C)C[C@@H]1CN(S(=O)(=O)c2ccc(C(=O)NCC(F)(F)F)cc2)C[C@H]1C[NH+](C)C ZINC001475576009 1069497261 /nfs/dbraw/zinc/49/72/61/1069497261.db2.gz XVWSEXYCMAUSRV-HZPDHXFCSA-N 2 0 450.527 1.339 20 0 JDADRP C[NH+](C)C[C@@H]1CN(C(=O)Nc2ccc(S(=O)(=O)C[C@@H]3CCCO3)cc2)C[C@H]1C[NH+](C)C ZINC001476153103 1069615917 /nfs/dbraw/zinc/61/59/17/1069615917.db2.gz XRDGAPOZEQWVSN-GGPKGHCWSA-N 2 0 452.621 1.842 20 0 JDADRP CC[NH+](CC)[C@H](C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001501794399 1069722258 /nfs/dbraw/zinc/72/22/58/1069722258.db2.gz TWYKONGCTOYGOW-LJQANCHMSA-N 2 0 470.622 1.957 20 0 JDADRP CC[NH+](CC)[C@H](C)Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001501799811 1069727069 /nfs/dbraw/zinc/72/70/69/1069727069.db2.gz YRDBSBQUJLDCCH-QUCCMNQESA-N 2 0 457.627 1.152 20 0 JDADRP CC[NH+](CC)[C@@H](C)Cn1c(CN2CCCC2=O)nnc1N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC001501804344 1069733395 /nfs/dbraw/zinc/73/33/95/1069733395.db2.gz CGVSBAJHMCAWDR-FQEVSTJZSA-N 2 0 471.654 1.577 20 0 JDADRP CC[NH+](CC)CC(=O)N1CCN(c2nnc(C(=O)Nc3ccccn3)n2CC[NH+]2CCCCC2)CC1 ZINC001501898680 1069757947 /nfs/dbraw/zinc/75/79/47/1069757947.db2.gz BAQRFWZABDQGTL-UHFFFAOYSA-N 2 0 497.648 1.402 20 0 JDADRP CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cnccn3)n2CC[NH+]2CCCCCC2)CC1 ZINC001501903824 1069774326 /nfs/dbraw/zinc/77/43/26/1069774326.db2.gz KNNMCIZQAGWYKV-UHFFFAOYSA-N 2 0 469.638 1.602 20 0 JDADRP CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(C)(C)C[NH+]2CCCC2)CC1 ZINC001501903698 1069772938 /nfs/dbraw/zinc/77/29/38/1069772938.db2.gz GAWMLBFGINPSCT-FQEVSTJZSA-N 2 0 488.681 1.342 20 0 JDADRP CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001501903850 1069774742 /nfs/dbraw/zinc/77/47/42/1069774742.db2.gz LKMONAIQJXPWRZ-LEWJYISDSA-N 2 0 485.681 1.789 20 0 JDADRP CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cnccn3)n2C[C@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC001501903674 1069773837 /nfs/dbraw/zinc/77/38/37/1069773837.db2.gz FKJRBLCPLFVVPQ-NRFANRHFSA-N 2 0 483.665 1.846 20 0 JDADRP CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccc[nH]3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC001501903730 1069775574 /nfs/dbraw/zinc/77/55/74/1069775574.db2.gz HGTKQMJDSPRLDG-QFIPXVFZSA-N 2 0 486.665 1.620 20 0 JDADRP CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccccn3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC001501903931 1069776272 /nfs/dbraw/zinc/77/62/72/1069776272.db2.gz NXYXSDYPBXUBRZ-QHCPKHFHSA-N 2 0 498.676 1.687 20 0 JDADRP CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccccn3)n2C[C@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC001501903930 1069777005 /nfs/dbraw/zinc/77/70/05/1069777005.db2.gz NXYXSDYPBXUBRZ-HSZRJFAPSA-N 2 0 498.676 1.687 20 0 JDADRP CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cnccn3)n2C[C@@H]2CC[N@H+](CC)C2)CC1 ZINC001501904018 1069777979 /nfs/dbraw/zinc/77/79/79/1069777979.db2.gz RIZPFZUTHWPKIQ-LJQANCHMSA-N 2 0 455.611 1.067 20 0 JDADRP CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccccn3)n2CC[N@@H+]2CCC[C@H]2C)CC1 ZINC001501903981 1069778128 /nfs/dbraw/zinc/77/81/28/1069778128.db2.gz PSGNRAPPAWTCIH-HXUWFJFHSA-N 2 0 454.623 1.815 20 0 JDADRP CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cnccn3)n2C[C@H]2CC[N@H+](CC)C2)CC1 ZINC001501904017 1069778980 /nfs/dbraw/zinc/77/89/80/1069778980.db2.gz RIZPFZUTHWPKIQ-IBGZPJMESA-N 2 0 455.611 1.067 20 0 JDADRP CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cnccn3)n2CC2([NH+](C)C)CCC2)CC1 ZINC001501904145 1069780265 /nfs/dbraw/zinc/78/02/65/1069780265.db2.gz WOVRVYXKJVMKKW-UHFFFAOYSA-N 2 0 455.611 1.210 20 0 JDADRP CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cccnc3)n2CC2([NH+](C)C)CCC2)CC1 ZINC001501904214 1069781310 /nfs/dbraw/zinc/78/13/10/1069781310.db2.gz YSRJSTKZXOKOJV-UHFFFAOYSA-N 2 0 454.623 1.815 20 0 JDADRP CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccccn3)n2CCC[N@@H+]2CCCO[C@H](C)C2)CC1 ZINC001501904223 1069781969 /nfs/dbraw/zinc/78/19/69/1069781969.db2.gz ZAXZVXGIFMHIQK-JOCHJYFZSA-N 2 0 498.676 1.831 20 0 JDADRP CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@@H]3CCOC3)n2CC2(SC)CC[NH+](C)CC2)CC1 ZINC001501906550 1069786856 /nfs/dbraw/zinc/78/68/56/1069786856.db2.gz IALNGEVLAXDFRI-HXUWFJFHSA-N 2 0 493.722 1.600 20 0 JDADRP CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@H]3CCCCO3)n2CCC[NH+]2CCC(O)CC2)CC1 ZINC001501907535 1069795192 /nfs/dbraw/zinc/79/51/92/1069795192.db2.gz WUBLXMNQZWFDPH-JOCHJYFZSA-N 2 0 491.681 1.357 20 0 JDADRP CC[NH+](CC)CCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C)[C@H]([N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC001501951715 1069806002 /nfs/dbraw/zinc/80/60/02/1069806002.db2.gz FNQGWIZZISUDJI-BAGYTPMASA-N 2 0 488.681 1.340 20 0 JDADRP CC[NH+](CC)CCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC001501954558 1069806608 /nfs/dbraw/zinc/80/66/08/1069806608.db2.gz DNJQGXJPRGZWGK-WOJBJXKFSA-N 2 0 483.683 1.017 20 0 JDADRP CC[NH+](CC)CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC001501955536 1069807386 /nfs/dbraw/zinc/80/73/86/1069807386.db2.gz RMLWNSSZCWSTBC-LEWJYISDSA-N 2 0 482.695 1.461 20 0 JDADRP CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001501980823 1069810840 /nfs/dbraw/zinc/81/08/40/1069810840.db2.gz MGLJJAHZKGAOBG-MBDNFAEBSA-N 2 0 474.698 1.954 20 0 JDADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)NCCC[N@@H+]2CCN(C)C[C@@H]2c2ccccc2)CC1 ZINC001477317496 1069812286 /nfs/dbraw/zinc/81/22/86/1069812286.db2.gz UROSRANYFUDUKT-HSZRJFAPSA-N 2 0 458.651 1.607 20 0 JDADRP O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)NCc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC001477471521 1069825905 /nfs/dbraw/zinc/82/59/05/1069825905.db2.gz IUIJBAIHLLHSBL-RUZDIDTESA-N 2 0 451.615 1.870 20 0 JDADRP CC(=O)Nc1c[nH]nc1[C@@H]1CCCN(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC001477660093 1069842059 /nfs/dbraw/zinc/84/20/59/1069842059.db2.gz ITBKQAOOVDDOBL-LJQANCHMSA-N 2 0 454.579 1.864 20 0 JDADRP CC[N@H+](CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H]([NH+]2CCCCC2)C1)C(C)C ZINC001502185722 1069847035 /nfs/dbraw/zinc/84/70/35/1069847035.db2.gz NHZKDFFYXZEQEY-MOPGFXCFSA-N 2 0 455.673 1.683 20 0 JDADRP CC[N@H+](CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[NH+](C(C)(C)C)CC1)C1CC1 ZINC001502186814 1069848873 /nfs/dbraw/zinc/84/88/73/1069848873.db2.gz RVCNKLSCIZCLGA-QGZVFWFLSA-N 2 0 455.673 1.683 20 0 JDADRP CC[N@H+](CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)[NH+](CC)C[C@@H]1C)C(C)C ZINC001502199231 1069854313 /nfs/dbraw/zinc/85/43/13/1069854313.db2.gz GYDZCYJWUYOSCK-UFYCRDLUSA-N 2 0 485.699 1.260 20 0 JDADRP CC[N@H+](CCn1c(CN2CCCC2=O)nnc1N1CC[C@H](N2CC[NH+](C(C)C)CC2)C1)C(C)C ZINC001502203340 1069857057 /nfs/dbraw/zinc/85/70/57/1069857057.db2.gz IENNHONEOKQPMP-QFIPXVFZSA-N 2 0 474.698 1.736 20 0 JDADRP NC(=O)[C@H]1CCC[N@H+](Cc2cccc(CNC(=O)N3CC[NH+](CC4CCOCC4)CC3)c2)C1 ZINC001477841251 1069866646 /nfs/dbraw/zinc/86/66/46/1069866646.db2.gz DGHPKKWQZXXELR-QHCPKHFHSA-N 2 0 457.619 1.638 20 0 JDADRP CC1(C)C[N@@H+](C2(CNC(=O)N[C@H]3CC[NH+](CCN4CCOCC4)C3)CCCCC2)CCO1 ZINC001477843699 1069867589 /nfs/dbraw/zinc/86/75/89/1069867589.db2.gz DEFJDWJUCBXPGV-NRFANRHFSA-N 2 0 451.656 1.506 20 0 JDADRP C[C@@H](CNC(=O)NCc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1)N1CC[NH+](C)CC1 ZINC001477936467 1069879173 /nfs/dbraw/zinc/87/91/73/1069879173.db2.gz GFSBFAWPJBYUPG-KRWDZBQOSA-N 2 0 456.557 1.892 20 0 JDADRP O=C(C[NH+]1CCCC1)N1CCN(C(=O)NCCc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC001478323615 1069963913 /nfs/dbraw/zinc/96/39/13/1069963913.db2.gz SWWGVKOTSIKMFI-UHFFFAOYSA-N 2 0 457.619 1.653 20 0 JDADRP CC[N@@H+]1C[C@H](C)N(c2nnc([C@H]3OCC[C@H]3COC)n2CCN2CC[NH+](C)C(C)(C)C2)C[C@@H]1C ZINC001502265793 1069976572 /nfs/dbraw/zinc/97/65/72/1069976572.db2.gz XGADEYSKTMEMMN-CMOCDZPBSA-N 2 0 477.698 1.947 20 0 JDADRP CC[NH+]1CCC(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[NH+](C[C@H]3CCOC3)CC2)CC1 ZINC001502266158 1069978825 /nfs/dbraw/zinc/97/88/25/1069978825.db2.gz HVYJKEUFXRSHED-PZJWPPBQSA-N 2 0 497.710 1.169 20 0 JDADRP CC[N@@H+]1CC[C@H](Cn2c(C(=O)NC(C)C)nnc2N2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)C1 ZINC001502270687 1069990064 /nfs/dbraw/zinc/99/00/64/1069990064.db2.gz REWRXLFKKIVMLU-SFTDATJTSA-N 2 0 460.671 1.363 20 0 JDADRP CC[N@@H+]1CCCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1CC[NH+](C2CCOCC2)C[C@H]1C ZINC001502292175 1070033531 /nfs/dbraw/zinc/03/35/31/1070033531.db2.gz NJJQNXMLMCQWQB-TZIWHRDSSA-N 2 0 461.655 1.980 20 0 JDADRP CC[NH+]1CCN([C@@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CC[C@@H]([NH+]3CCCCC3)C2)CC1 ZINC001502310279 1070071897 /nfs/dbraw/zinc/07/18/97/1070071897.db2.gz WJVWEJMPTNNCQY-LEWJYISDSA-N 2 0 460.671 1.507 20 0 JDADRP CC[NH+]1CCN([C@H](C)Cn2c(C)nnc2N2CC[NH+](CCCOCC(F)(F)F)CC2)CC1 ZINC001502311123 1070078017 /nfs/dbraw/zinc/07/80/17/1070078017.db2.gz MZHKRKQQARAIFS-GOSISDBHSA-N 2 0 461.577 1.704 20 0 JDADRP CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cccn3C)n2C[C@@H](C)N2CC[NH+](CC)CC2)CC1 ZINC001502312419 1070083138 /nfs/dbraw/zinc/08/31/38/1070083138.db2.gz LQNPXOCCHXSFTB-JOCHJYFZSA-N 2 0 499.708 1.300 20 0 JDADRP CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](C)N2CC[NH+](CC)CC2)C1 ZINC001502313365 1070087602 /nfs/dbraw/zinc/08/76/02/1070087602.db2.gz CTPWXHAUWJZPTN-BHIFYINESA-N 2 0 495.738 1.374 20 0 JDADRP CC[N@@H+]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@]2(O)CC[NH+](C)C2)C[C@@H]1C ZINC001502317302 1070119228 /nfs/dbraw/zinc/11/92/28/1070119228.db2.gz DVLJYUHGSXNJHB-CYFREDJKSA-N 2 0 455.607 1.744 20 0 JDADRP CC[N@@H+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2C[NH+](CC(C)C)CCO2)C[C@H]1C ZINC001502318200 1070126531 /nfs/dbraw/zinc/12/65/31/1070126531.db2.gz WGNIKYQSZLGBBL-WOJBJXKFSA-N 2 0 470.622 1.813 20 0 JDADRP CC[N@@H+]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C)[NH+]2CCC[C@H](C)C2)C[C@H]1C ZINC001502327334 1070151333 /nfs/dbraw/zinc/15/13/33/1070151333.db2.gz MDTHDMPZBQYTPI-WOZUAGRISA-N 2 0 497.710 1.262 20 0 JDADRP CC[N@@H+]1CCN(c2nnc(Cn3nc(C)cc3C)n2CCN2CC[NH+](C)C(C)(C)C2)C[C@@H]1C ZINC001502329617 1070162196 /nfs/dbraw/zinc/16/21/96/1070162196.db2.gz FKUYJLIAGQDOFS-NRFANRHFSA-N 2 0 457.671 1.696 20 0 JDADRP CCN1CC[NH+](C[C@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCC[N@@H+](C(C)C)CC2)CC1 ZINC001502337608 1070207257 /nfs/dbraw/zinc/20/72/57/1070207257.db2.gz LDZKZINWKJPLHG-NRFANRHFSA-N 2 0 462.687 1.610 20 0 JDADRP CCN1CC[NH+](C[C@H](C)Cn2c(-c3cccn3C)nnc2N2CC[N@H+](CCOC)[C@H](C)C2)CC1 ZINC001502341379 1070226101 /nfs/dbraw/zinc/22/61/01/1070226101.db2.gz VAYFSDZBQOXJRW-FCHUYYIVSA-N 2 0 472.682 1.714 20 0 JDADRP CC[NH+]1CCN(CCCn2c(C(=O)Nc3ccccn3)nnc2N2C[C@H](C)[N@H+](CC)C[C@@H]2C)CC1 ZINC001502352934 1070278105 /nfs/dbraw/zinc/27/81/05/1070278105.db2.gz SNKVOMFKOWUUMD-SFTDATJTSA-N 2 0 483.665 1.872 20 0 JDADRP C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[NH+](C2CCOCC2)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC001493690858 1070335741 /nfs/dbraw/zinc/33/57/41/1070335741.db2.gz LDZROQMHQKIGDC-AQNXPRMDSA-N 2 0 497.710 1.310 20 0 JDADRP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C3CCOCC3)C[C@@H]2C)n1CC[N@@H+]1CCC[C@H](C)C1 ZINC001493796727 1070349306 /nfs/dbraw/zinc/34/93/06/1070349306.db2.gz MGSDMKUZQHNOSN-UFYCRDLUSA-N 2 0 497.710 1.310 20 0 JDADRP C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C3CCOCC3)C[C@@H]2C)n1CC[N@@H+]1CCC[C@H](C)C1 ZINC001493796722 1070350120 /nfs/dbraw/zinc/35/01/20/1070350120.db2.gz MGSDMKUZQHNOSN-SLFFLAALSA-N 2 0 497.710 1.310 20 0 JDADRP C[C@@H]1CCC[N@H+](CCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[NH+](C(C)(C)C)CC2)C1 ZINC001493804769 1070351130 /nfs/dbraw/zinc/35/11/30/1070351130.db2.gz IDFXYYNIKKAMBG-WOJBJXKFSA-N 2 0 497.710 1.263 20 0 JDADRP CC(C)NC(=O)c1nnc(N2CC[NH+](C[C@H]3CCOC3)CC2)n1CCC[NH+]1CCC(C)CC1 ZINC001494055952 1070382274 /nfs/dbraw/zinc/38/22/74/1070382274.db2.gz TWNDTZQHIXYDKE-OAQYLSRUSA-N 2 0 461.655 1.697 20 0 JDADRP CC(C)[NH2+]C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[NH+]2CCC(C)CC2)CC1 ZINC001494080515 1070385583 /nfs/dbraw/zinc/38/55/83/1070385583.db2.gz GXZCJXYLMNLCSR-NRFANRHFSA-N 2 0 497.710 1.310 20 0 JDADRP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](CC3CC3)CC2)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001494097424 1070392217 /nfs/dbraw/zinc/39/22/17/1070392217.db2.gz UHZHTLRXCASMNE-QRVBRYPASA-N 2 0 497.710 1.308 20 0 JDADRP C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](CC3CC3)CC2)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001494097421 1070392479 /nfs/dbraw/zinc/39/24/79/1070392479.db2.gz UHZHTLRXCASMNE-CEXWTWQISA-N 2 0 497.710 1.308 20 0 JDADRP C[C@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCOCC[NH+](C)C)CC[N@@H+](C2CCC2)C1 ZINC001494348346 1070559489 /nfs/dbraw/zinc/55/94/89/1070559489.db2.gz UCDTUPDGUPVXQV-MOPGFXCFSA-N 2 0 468.668 1.069 20 0 JDADRP C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H]([NH+]3CCCC3)C2)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001494519262 1070611534 /nfs/dbraw/zinc/61/15/34/1070611534.db2.gz OATFKJAPASXLKJ-NJYVYQBISA-N 2 0 497.710 1.454 20 0 JDADRP CC(C)c1nnc(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001494520946 1070613736 /nfs/dbraw/zinc/61/37/36/1070613736.db2.gz WQLFRXGTYIGIAV-NJYVYQBISA-N 2 0 461.655 1.644 20 0 JDADRP CC[C@@H](C)c1nnc(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001495675638 1070813257 /nfs/dbraw/zinc/81/32/57/1070813257.db2.gz CDHMSCDWYJSLQO-RTWAWAEBSA-N 2 0 475.682 1.770 20 0 JDADRP CC[C@@H](C)c1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001495699800 1070816522 /nfs/dbraw/zinc/81/65/22/1070816522.db2.gz WVXQFFFSXUPVSI-OAQYLSRUSA-N 2 0 474.698 1.562 20 0 JDADRP CC[C@H](C)c1nnc(N2CCN(CC(=O)N(C)C)CC2)n1CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001495790297 1070820290 /nfs/dbraw/zinc/82/02/90/1070820290.db2.gz DXDDTTVERLFPTN-QFIPXVFZSA-N 2 0 497.692 1.609 20 0 JDADRP CC[C@@H](C)c1nnc(N2CCN(CC(=O)N(C)C)CC2)n1CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001495790296 1070820370 /nfs/dbraw/zinc/82/03/70/1070820370.db2.gz DXDDTTVERLFPTN-JOCHJYFZSA-N 2 0 497.692 1.609 20 0 JDADRP CCO[C@@]1(c2nnc(N3CC[NH+](C4CCOCC4)CC3)n2C[C@H](C)[NH+](CC)CC)CCOC1 ZINC001502720774 1070828560 /nfs/dbraw/zinc/82/85/60/1070828560.db2.gz AQFSOWOGIICLGM-RDPSFJRHSA-N 2 0 464.655 1.962 20 0 JDADRP CCO[C@@]1(c2nnc(N3CC[NH+](C(C)(C)C)CC3)n2C[C@@H]2CCC[N@@H+]2CCCO)CCOC1 ZINC001502715604 1070823854 /nfs/dbraw/zinc/82/38/54/1070823854.db2.gz WRQZQTQXRIZPLD-RDPSFJRHSA-N 2 0 464.655 1.698 20 0 JDADRP CC[C@H](C)[N@H+](C)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001496116476 1070831166 /nfs/dbraw/zinc/83/11/66/1070831166.db2.gz ODYDBTPHHBZJPQ-GBESFXJTSA-N 2 0 455.673 1.683 20 0 JDADRP CC[C@@H](C)[N@H+](C)CCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001496188241 1070833403 /nfs/dbraw/zinc/83/34/03/1070833403.db2.gz LOCYDTFXYDPKNZ-OAQYLSRUSA-N 2 0 485.681 1.614 20 0 JDADRP CCOCc1nnc(N2C[C@H]([N@@H+]3CCCN(C(C)=O)CC3)[C@@H](C)C2)n1CC[NH+]1CCC[C@H]1C ZINC001503029494 1070980285 /nfs/dbraw/zinc/98/02/85/1070980285.db2.gz AEGJRGSXLUFLHZ-VWPQPMDRSA-N 2 0 461.655 1.678 20 0 JDADRP CCOCc1nnc(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001503098199 1071042390 /nfs/dbraw/zinc/04/23/90/1071042390.db2.gz LQIYAPSQVYCONE-OALUTQOASA-N 2 0 459.595 1.453 20 0 JDADRP CCOCc1nnc(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001503098200 1071042472 /nfs/dbraw/zinc/04/24/72/1071042472.db2.gz LQIYAPSQVYCONE-RBUKOAKNSA-N 2 0 459.595 1.453 20 0 JDADRP CCOCc1nnc(N2CC[NH+](C3CCOCC3)CC2)n1C[C@H](C)C[NH+]1CCN(CC)CC1 ZINC001503108700 1071062036 /nfs/dbraw/zinc/06/20/36/1071062036.db2.gz BCEPQGMREDJGOT-OAQYLSRUSA-N 2 0 463.671 1.389 20 0 JDADRP CCOCc1nnc(N2CC[NH+](C3CCOCC3)CC2)n1C[C@@H](C)C[NH+]1CCN(CC)CC1 ZINC001503108699 1071062162 /nfs/dbraw/zinc/06/21/62/1071062162.db2.gz BCEPQGMREDJGOT-NRFANRHFSA-N 2 0 463.671 1.389 20 0 JDADRP CCOCc1nnc(N2CC[N@@H+](C3CCOCC3)C[C@H]2C)n1C[C@H](C)N1CC[NH+](CC)CC1 ZINC001503109620 1071063964 /nfs/dbraw/zinc/06/39/64/1071063964.db2.gz MSYBVEAGCYHMGX-LEWJYISDSA-N 2 0 463.671 1.530 20 0 JDADRP CCOCc1nnc(N2CC[NH+](C3CCOCC3)CC2)n1CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001503110388 1071065812 /nfs/dbraw/zinc/06/58/12/1071065812.db2.gz VUFOQSQEBVAGFA-WOJBJXKFSA-N 2 0 450.628 1.615 20 0 JDADRP COC1CC[NH+](C(C)(C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)CC1 ZINC001504489021 1071262841 /nfs/dbraw/zinc/26/28/41/1071262841.db2.gz DQSHKEZVOKDCEH-QYZOEREBSA-N 2 0 497.710 1.451 20 0 JDADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCn1c(N2CC[NH+](C3CCOCC3)CC2)nnc1C(C)(C)C ZINC001503356860 1071556430 /nfs/dbraw/zinc/55/64/30/1071556430.db2.gz BDWHFXFQSNARTQ-NRFANRHFSA-N 2 0 475.682 1.819 20 0 JDADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001503357962 1071562294 /nfs/dbraw/zinc/56/22/94/1071562294.db2.gz CEGAMOLHAIRYSG-RBUKOAKNSA-N 2 0 474.654 1.092 20 0 JDADRP CN(C)C(=O)CN1CCN(c2nnc(C(C)(C)C)n2CCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC001503376805 1071623610 /nfs/dbraw/zinc/62/36/10/1071623610.db2.gz HIZJXMXNGFXRQB-UHFFFAOYSA-N 2 0 497.692 1.393 20 0 JDADRP C[NH+](C)C1(Cn2c(C(=O)Nc3ccccn3)nnc2N2CC[NH+](C(C)(C)C)CC2)CCOCC1 ZINC001503385202 1071642772 /nfs/dbraw/zinc/64/27/72/1071642772.db2.gz COWLBHGFJZAUBR-UHFFFAOYSA-N 2 0 470.622 1.957 20 0 JDADRP Cn1cc(-c2nnc(N3CCN(C(=O)C[NH+]4CCCC4)CC3)n2CC(C)(C)C[NH+](C)C)cn1 ZINC001503396938 1071656141 /nfs/dbraw/zinc/65/61/41/1071656141.db2.gz SNTUEXSUOURLNF-UHFFFAOYSA-N 2 0 457.627 1.011 20 0 JDADRP C[NH+](C)CCOCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001503403366 1071669243 /nfs/dbraw/zinc/66/92/43/1071669243.db2.gz XYJNHRGWVISXSF-UHFFFAOYSA-N 2 0 478.663 1.847 20 0 JDADRP C[NH+](C)CCOCCn1c([C@@H]2CCCCO2)nnc1N1CC[NH+](CC2CCOCC2)CC1 ZINC001503405639 1071675048 /nfs/dbraw/zinc/67/50/48/1071675048.db2.gz YUVPUQXQHNZDJU-NRFANRHFSA-N 2 0 450.628 1.647 20 0 JDADRP COCCC[N@H+](C)CCn1c(C(C)C)nnc1N1C[C@H](C)[C@H]([NH+]2CCCN(C(C)=O)CC2)C1 ZINC001504811805 1071683495 /nfs/dbraw/zinc/68/34/95/1071683495.db2.gz QOUNPDGLPKHBSO-RBBKRZOGSA-N 2 0 463.671 1.749 20 0 JDADRP COCC[N@H+](C)CCCn1c(-c2ccccn2)nnc1N1CC[NH+](C2CCOCC2)C[C@@H]1C ZINC001504850187 1071747585 /nfs/dbraw/zinc/74/75/85/1071747585.db2.gz CLFWTHSHHUERSN-FQEVSTJZSA-N 2 0 457.623 1.998 20 0 JDADRP COCC[N@H+](C)CCCn1c(-c2cnccn2)nnc1N1C[C@@H](C)[C@H]([NH+]2CCCN(C(C)=O)CC2)C1 ZINC001504850518 1071748043 /nfs/dbraw/zinc/74/80/43/1071748043.db2.gz GNDYXNLNHBNLIK-NFBKMPQASA-N 2 0 499.664 1.082 20 0 JDADRP COCC[N@H+](C)CCn1c(Cc2ccc(F)cc2)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001504856731 1071772362 /nfs/dbraw/zinc/77/23/62/1071772362.db2.gz APZDVMJMOALWCM-UHFFFAOYSA-N 2 0 460.598 1.887 20 0 JDADRP COCC[N@H+](C)CCn1c([C@@H]2CCCOC2)nnc1N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC001504857546 1071777983 /nfs/dbraw/zinc/77/79/83/1071777983.db2.gz MRVNTVWWKNUKLR-JOCHJYFZSA-N 2 0 477.698 1.745 20 0 JDADRP COCC[N@@H+]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@H](C)[NH+](C)C)C[C@@H]1C ZINC001504904719 1071844908 /nfs/dbraw/zinc/84/49/08/1071844908.db2.gz QAQDSVLTADWQGZ-MSOLQXFVSA-N 2 0 478.041 1.969 20 0 JDADRP COCC[N@@H+]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)C[NH+]2CCCCC2)C[C@@H]1C ZINC001504904960 1071845350 /nfs/dbraw/zinc/84/53/50/1071845350.db2.gz HVMXXZHHZSBTPD-SFTDATJTSA-N 2 0 461.655 1.793 20 0 JDADRP COCC[N@@H+]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C)C[NH+]2CCCCC2)C[C@@H]1C ZINC001504904955 1071845383 /nfs/dbraw/zinc/84/53/83/1071845383.db2.gz HVMXXZHHZSBTPD-RTWAWAEBSA-N 2 0 461.655 1.793 20 0 JDADRP COCC[N@@H+]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)C[NH+]2CCCCC2)C[C@H]1C ZINC001504904945 1071845440 /nfs/dbraw/zinc/84/54/40/1071845440.db2.gz HVMXXZHHZSBTPD-LEWJYISDSA-N 2 0 461.655 1.793 20 0 JDADRP COCC[N@@H+]1CCN(c2nnc(-c3cnccn3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)C[C@H]1C ZINC001504917726 1071883621 /nfs/dbraw/zinc/88/36/21/1071883621.db2.gz WLKIAQKLIKNSGW-CTNGQTDRSA-N 2 0 458.611 1.249 20 0 JDADRP COCC[N@@H+]1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc43)n2C[C@H](C)[NH+](C)C)C[C@@H]1C ZINC001504916596 1071881160 /nfs/dbraw/zinc/88/11/60/1071881160.db2.gz HPKCFFWXZMHSST-ROUUACIJSA-N 2 0 468.606 1.299 20 0 JDADRP COCC[N@@H+]1CCN(c2nnc([C@H]3CCOC3)n2CC(C)(C)[NH+]2CCC(OC)CC2)C[C@@H]1C ZINC001504920958 1071893908 /nfs/dbraw/zinc/89/39/08/1071893908.db2.gz SNZMGJYXEDXWJE-PMACEKPBSA-N 2 0 464.655 1.828 20 0 JDADRP COCC[N@@H+]1CCN(c2nnc([C@H]3CCOC3)n2CC2(O)CC[NH+](C(C)C)CC2)C[C@@H]1C ZINC001504921348 1071895535 /nfs/dbraw/zinc/89/55/35/1071895535.db2.gz WMAYPMCFFCMMIW-PMACEKPBSA-N 2 0 450.628 1.174 20 0 JDADRP COCC[N@@H+]1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2CCC[NH+](CC(C)C)C2)C[C@@H]1C ZINC001504924442 1071908251 /nfs/dbraw/zinc/90/82/51/1071908251.db2.gz WNDCHEHAIQXFBL-FCHUYYIVSA-N 2 0 475.682 1.925 20 0 JDADRP COCC[N@@H+]1CCN(c2nnc(CNC(=O)c3cccs3)n2CC[NH+]2CCC[C@@H]2C)C[C@H]1C ZINC001504924713 1071909850 /nfs/dbraw/zinc/90/98/50/1071909850.db2.gz FFPGOOCCRZWWJL-RBUKOAKNSA-N 2 0 475.663 1.911 20 0 JDADRP COCC[N@@H+]1CCN(c2nnc(CNC(=O)c3cccs3)n2CC[NH+]2CCC[C@H]2C)C[C@H]1C ZINC001504924714 1071909930 /nfs/dbraw/zinc/90/99/30/1071909930.db2.gz FFPGOOCCRZWWJL-RTBURBONSA-N 2 0 475.663 1.911 20 0 JDADRP COCCO[C@@H](C)c1nnc(N2CC[NH+](C(C)C)CC2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001504986785 1072038410 /nfs/dbraw/zinc/03/84/10/1072038410.db2.gz FYKUIIBYTCGGEJ-FQEVSTJZSA-N 2 0 452.644 1.768 20 0 JDADRP CON(C)c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1C[C@H]1C[N@H+](CC(C)C)CCO1 ZINC001505098051 1072233271 /nfs/dbraw/zinc/23/32/71/1072233271.db2.gz KKIZCHFEAXPNHM-HSZRJFAPSA-N 2 0 471.650 1.997 20 0 JDADRP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)CN1C(=O)c2ccc(Br)cc2C1=O ZINC001464890752 1067687325 /nfs/dbraw/zinc/68/73/25/1067687325.db2.gz QYDIOBIYEKPLMG-UHFFFAOYSA-N 2 0 453.381 1.777 20 0 JDADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@H](C(=O)Nc2ccc(OCCN3CC[NH+](C)CC3)cc2)CC1=O ZINC001465471913 1067803169 /nfs/dbraw/zinc/80/31/69/1067803169.db2.gz DCEHZVULBFIWKE-IFMALSPDSA-N 2 0 457.619 1.584 20 0 JDADRP C[NH+](C)C[C@@H]1CN(C(=O)Nc2ccc(S(=O)(=O)NCC(F)(F)F)cc2)C[C@H]1C[NH+](C)C ZINC001465680590 1067819172 /nfs/dbraw/zinc/81/91/72/1067819172.db2.gz LIXOVEQFEOFEPO-HUUCEWRRSA-N 2 0 465.542 1.730 20 0 JDADRP C[NH+](C)CCn1c(=O)[nH]c2ccc(C(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3CO)cc21 ZINC001466130949 1067862916 /nfs/dbraw/zinc/86/29/16/1067862916.db2.gz CMWRPLYCFZWSOZ-LEWJYISDSA-N 2 0 451.571 1.916 20 0 JDADRP C[NH+](C)C[C@@H]1CN(C(=O)Nc2cc(C(F)(F)F)ccc2N2CCNC(=O)C2)C[C@H]1C[NH+](C)C ZINC001466973848 1067958388 /nfs/dbraw/zinc/95/83/88/1067958388.db2.gz GQIPSCHACFXJFM-HZPDHXFCSA-N 2 0 470.540 1.845 20 0 JDADRP C[NH+]1CCN(c2cc(CNC(=O)NCC3CC[NH+](CC(=O)NC(C)(C)C)CC3)ccn2)CC1 ZINC001467879294 1068083931 /nfs/dbraw/zinc/08/39/31/1068083931.db2.gz AGPWOQJPGQFUKC-UHFFFAOYSA-N 2 0 459.639 1.259 20 0 JDADRP CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC001467906942 1068091789 /nfs/dbraw/zinc/09/17/89/1068091789.db2.gz KRVQWTBGBQDLRC-RUZDIDTESA-N 2 0 452.603 1.612 20 0 JDADRP C[NH+]1CCN(c2ncccc2CNC(=O)NCC2(O)CC[NH+](Cc3ccccc3)CC2)CC1 ZINC001468382462 1068265189 /nfs/dbraw/zinc/26/51/89/1068265189.db2.gz NDPAAJRPHXOFJS-UHFFFAOYSA-N 2 0 452.603 1.660 20 0 JDADRP O=C(NCCC1(O)CC[NH+](Cc2ccccc2)CC1)N[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001468744721 1068360585 /nfs/dbraw/zinc/36/05/85/1068360585.db2.gz VOZRGFVXLBHCKF-QHCPKHFHSA-N 2 0 459.635 1.109 20 0 JDADRP O=C(NCCC1(O)CC[NH+](Cc2ccccc2)CC1)N[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC001468744720 1068361099 /nfs/dbraw/zinc/36/10/99/1068361099.db2.gz VOZRGFVXLBHCKF-HSZRJFAPSA-N 2 0 459.635 1.109 20 0 JDADRP C[NH+]1CCC(Oc2ccc(CNC(=O)N[C@H]3CCC[N@H+](CCN4CCOCC4)C3)cc2)CC1 ZINC001470120804 1068704153 /nfs/dbraw/zinc/70/41/53/1068704153.db2.gz IEARFYWBSWLLJN-QFIPXVFZSA-N 2 0 459.635 1.755 20 0 JDADRP C[NH+](C)C[C@@H]1CN(C(=O)CNS(=O)(=O)c2ccccc2C(F)(F)F)C[C@H]1C[NH+](C)C ZINC001471107096 1068835918 /nfs/dbraw/zinc/83/59/18/1068835918.db2.gz ANZNQUVOTMJHKF-HUUCEWRRSA-N 2 0 450.527 1.182 20 0 JDADRP C[NH+](C)C[C@@H]1CN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)ccc2Cl)C[C@H]1C[NH+](C)C ZINC001471107627 1068836234 /nfs/dbraw/zinc/83/62/34/1068836234.db2.gz QNUVSERHMBVKBS-IAGOWNOFSA-N 2 0 473.039 1.172 20 0 JDADRP C[NH+](C)C[C@@H]1CN(C(=O)C2=NO[C@@]3(C2)CCCN(C(=O)OC(C)(C)C)C3)C[C@H]1C[NH+](C)C ZINC001471110575 1068836596 /nfs/dbraw/zinc/83/65/96/1068836596.db2.gz FBVLJOYGCVGZMU-PMAPCBKXSA-N 2 0 451.612 1.730 20 0 JDADRP CC[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2CC2(O)CC[NH+](C(C)C)CC2)CC[N@@H+]1CCOC ZINC001499637415 1069020637 /nfs/dbraw/zinc/02/06/37/1069020637.db2.gz CLDLHWGEADBUFM-NRFANRHFSA-N 2 0 491.681 1.296 20 0 JDADRP CC[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCC[NH+]2CCCO[C@H](C)C2)CC[N@@H+]1CCOC ZINC001499639711 1069021674 /nfs/dbraw/zinc/02/16/74/1069021674.db2.gz PYENPJNVHNCLBU-FGZHOGPDSA-N 2 0 491.681 1.562 20 0 JDADRP CC[C@H]1CN(c2nnc(C(=O)NC(C)C)n2CC2(SC)CC[NH+](C)CC2)CC[N@@H+]1CCOC ZINC001499642511 1069024075 /nfs/dbraw/zinc/02/40/75/1069024075.db2.gz NZXYKERRYMLHTH-IBGZPJMESA-N 2 0 481.711 1.791 20 0 JDADRP CC[C@@H]1CN(c2nnc(-c3cnccn3)n2C[C@H](C)C[NH+]2CCOCC2)CC[N@@H+]1CCOC ZINC001499718974 1069048719 /nfs/dbraw/zinc/04/87/19/1069048719.db2.gz DJRRCNWQXCVSDK-WOJBJXKFSA-N 2 0 458.611 1.250 20 0 JDADRP CC[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](C)[NH+]2CCC(C)CC2)CC[N@@H+]1CCOC ZINC001499723279 1069054199 /nfs/dbraw/zinc/05/41/99/1069054199.db2.gz VZCIOTOSTSISLQ-NJYVYQBISA-N 2 0 461.655 1.897 20 0 JDADRP CC[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](C)[NH+]2CCC(C)CC2)CC[N@@H+]1CCOC ZINC001499723277 1069054206 /nfs/dbraw/zinc/05/42/06/1069054206.db2.gz VZCIOTOSTSISLQ-HBMCJLEFSA-N 2 0 461.655 1.897 20 0 JDADRP CC[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](C)[NH+]2CCC(C)CC2)CC[N@@H+]1CCOC ZINC001499723280 1069054212 /nfs/dbraw/zinc/05/42/12/1069054212.db2.gz VZCIOTOSTSISLQ-PWRODBHTSA-N 2 0 461.655 1.897 20 0 JDADRP C[NH+](C)CCC1CC[NH+](CC(=O)N2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)CC1 ZINC001473120016 1069074667 /nfs/dbraw/zinc/07/46/67/1069074667.db2.gz DDGFALIRRQXQMW-UHFFFAOYSA-N 2 0 458.575 1.461 20 0 JDADRP CC[C@H]1CN(c2nnc(Cc3ccncc3)n2CC2([NH+](C)C)CCOCC2)CC[N@@H+]1CCOC ZINC001499761508 1069076918 /nfs/dbraw/zinc/07/69/18/1069076918.db2.gz DQVPWGIJKMAMJG-QFIPXVFZSA-N 2 0 471.650 1.922 20 0 JDADRP CC[NH+]1CCC(N2CCC[N@H+](CCC(=O)N3CCN(C(=O)OC(C)(C)C)CC3)CC2)CC1 ZINC001473558850 1069180472 /nfs/dbraw/zinc/18/04/72/1069180472.db2.gz BMXGCUSBDDCNLX-UHFFFAOYSA-N 2 0 451.656 1.948 20 0 JDADRP CCC[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CC[NH+]2CCC[C@@H]2C)CC[N@@H+]1CCOC ZINC001500223869 1069217807 /nfs/dbraw/zinc/21/78/07/1069217807.db2.gz NTAUPZLUNCQSGH-LEWJYISDSA-N 2 0 461.655 1.936 20 0 JDADRP CCC[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2CC[NH+]2CCC[C@@H]2C)CC[N@@H+]1CCOC ZINC001500223872 1069218623 /nfs/dbraw/zinc/21/86/23/1069218623.db2.gz NTAUPZLUNCQSGH-SFTDATJTSA-N 2 0 461.655 1.936 20 0 JDADRP CCC[C@@H]1CN(c2nnc([C@@H]3CCOC3)n2CCN2CC[NH+](C)C(C)(C)C2)CC[N@@H+]1CCOC ZINC001500270117 1069231547 /nfs/dbraw/zinc/23/15/47/1069231547.db2.gz XDDSKYFBELLGDZ-FGZHOGPDSA-N 2 0 477.698 1.745 20 0 JDADRP CC[NH+]1CCN(c2ccc(NC(=O)C[NH2+]C3(C(=O)N4CCOCC4)CCCCC3)cc2)CC1 ZINC001473881877 1069235545 /nfs/dbraw/zinc/23/55/45/1069235545.db2.gz XRDWALRNOWVBBP-UHFFFAOYSA-N 2 0 457.619 1.918 20 0 JDADRP CCC[N@H+](C)C[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C)N2CC[NH+](CC)CC2)C1 ZINC001500703215 1069298783 /nfs/dbraw/zinc/29/87/83/1069298783.db2.gz OEEJRSJFVDNKND-YADHBBJMSA-N 2 0 474.698 1.708 20 0 JDADRP CCOC(=O)[C@@H]1Cc2cc(S(=O)(=O)N(CC[NH+](C)C)C[C@@H]3CCC[N@@H+]3CC)ccc2O1 ZINC001474915149 1069303770 /nfs/dbraw/zinc/30/37/70/1069303770.db2.gz NVXNMFODGZSYAS-RXVVDRJESA-N 2 0 453.605 1.590 20 0 JDADRP CCC[N@H+](C)C[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CCN2CC[NH+](C)C(C)(C)C2)C1 ZINC001500725611 1069305844 /nfs/dbraw/zinc/30/58/44/1069305844.db2.gz QCQHJASMAIJOKL-NRFANRHFSA-N 2 0 474.698 1.595 20 0 JDADRP CSC1(Cn2c(C(=O)NC(C)C)nnc2N2CC[NH+](C3CCOCC3)CC2)CC[NH+](C)CC1 ZINC001505181965 1072403485 /nfs/dbraw/zinc/40/34/85/1072403485.db2.gz ISVHLRWIBKDWPF-UHFFFAOYSA-N 2 0 479.695 1.545 20 0 JDADRP CSC1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)CC[NH+](C)CC1 ZINC001505188603 1072407174 /nfs/dbraw/zinc/40/71/74/1072407174.db2.gz VQFJOPDYLWOWHD-OKZBNKHCSA-N 2 0 485.724 1.389 20 0 JDADRP O=C(c1nnc(N2CC[NH+](CCCOCC(F)(F)F)CC2)n1CC[NH+]1CCCC1)N1CCCC1 ZINC001505341238 1072521623 /nfs/dbraw/zinc/52/16/23/1072521623.db2.gz SNUKDPOOZQLLQQ-UHFFFAOYSA-N 2 0 487.571 1.701 20 0 JDADRP CC(=O)N1CCC[N@@H+]([C@H]2CN(c3nnc(-c4cccnc4)n3CCOCC[NH+](C)C)C[C@H]2C)CC1 ZINC001508231267 1072995745 /nfs/dbraw/zinc/99/57/45/1072995745.db2.gz GIISFXBHJGGEFQ-OFNKIYASSA-N 2 0 484.649 1.297 20 0 JDADRP CC(=O)N1CCC[N@@H+]([C@@H]2CN(c3nnc(-c4cccnc4)n3CCOCC[NH+](C)C)C[C@@H]2C)CC1 ZINC001508231263 1072995983 /nfs/dbraw/zinc/99/59/83/1072995983.db2.gz GIISFXBHJGGEFQ-NZQKXSOJSA-N 2 0 484.649 1.297 20 0 JDADRP CC(=O)N1CCC[N@@H+]([C@H]2CN(c3nnc(C)n3Cc3ccc(OCC[NH+](C)C)cc3)C[C@H]2C)CC1 ZINC001508233677 1073001950 /nfs/dbraw/zinc/00/19/50/1073001950.db2.gz RCMDSPZMLKVIJX-NLFFAJNJSA-N 2 0 483.661 1.954 20 0 JDADRP CC(=O)N1CCC[N@@H+]([C@@H]2CN(c3nnc(-c4cnccn4)n3CC(C)(C)C[NH+](C)C)C[C@@H]2C)CC1 ZINC001508234411 1073004047 /nfs/dbraw/zinc/00/40/47/1073004047.db2.gz VCJMGRRLPZUGEA-SIKLNZKXSA-N 2 0 483.665 1.702 20 0 JDADRP CC(C)[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[NH+](C(C)C)CC1)[NH+]1CCCC1 ZINC001508875740 1073436730 /nfs/dbraw/zinc/43/67/30/1073436730.db2.gz RKKKWKKPYLQMET-SFTDATJTSA-N 2 0 497.710 1.262 20 0 JDADRP CC(C)C[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)[NH+](C)C ZINC001509116559 1073506097 /nfs/dbraw/zinc/50/60/97/1073506097.db2.gz CRONZMXKRZOGOE-PCCBWWKXSA-N 2 0 461.655 1.849 20 0 JDADRP CC(C)Cc1nnc(N2CCN(CC[NH+](C)Cc3ccccc3)CC2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001509254348 1073547682 /nfs/dbraw/zinc/54/76/82/1073547682.db2.gz KFWYCLVTNJCHFQ-AREMUKBSSA-N 2 0 469.678 1.797 20 0 JDADRP CC(C)C[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](C)C[NH+]2CCCCC2)CC1 ZINC001509404111 1073580558 /nfs/dbraw/zinc/58/05/58/1073580558.db2.gz JYDUMWJXNPJACA-UXHICEINSA-N 2 0 469.700 1.788 20 0 JDADRP CC(C)C[NH+]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cccc(OCC[NH+](C)C)c2)CC1 ZINC001509421798 1073596092 /nfs/dbraw/zinc/59/60/92/1073596092.db2.gz SWCSBELGOHLXHQ-JOCHJYFZSA-N 2 0 469.634 1.996 20 0 JDADRP CC(C)C[N@@H+]1CCO[C@@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[NH+](C(C)(C)C)CC2)C1 ZINC001509431951 1073609932 /nfs/dbraw/zinc/60/99/32/1073609932.db2.gz GBWJNSNIKGOBPP-VQTJNVASSA-N 2 0 499.726 1.556 20 0 JDADRP CC(C)[N@H+](C)CCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[NH+](C(C)C)CC1 ZINC001509518431 1073661995 /nfs/dbraw/zinc/66/19/95/1073661995.db2.gz MEPOVAGEMMIOIB-HXUWFJFHSA-N 2 0 485.699 1.262 20 0 JDADRP CC(C)[N@H+](C)CCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC001509518579 1073662047 /nfs/dbraw/zinc/66/20/47/1073662047.db2.gz OBKLGPCJYVTZKB-NRFANRHFSA-N 2 0 497.710 1.406 20 0 JDADRP CC(C)[N@@H+]1CCCN(c2nnc(CN3CCCC3=O)n2CCN2CC[NH+](C)C(C)(C)C2)CC1 ZINC001509563653 1073685407 /nfs/dbraw/zinc/68/54/07/1073685407.db2.gz QCRDIBHDXVJLHR-UHFFFAOYSA-N 2 0 460.671 1.347 20 0 JDADRP CC(C)[NH+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cccc(OCC[NH+](C)C)c2)CC1 ZINC001509565242 1073687538 /nfs/dbraw/zinc/68/75/38/1073687538.db2.gz CPNMMKJEYSPUKP-NRFANRHFSA-N 2 0 455.607 1.748 20 0 JDADRP CC(C)[NH+]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@@H]2CCC[N@@H+]2CCCO)CC1 ZINC001509571755 1073690959 /nfs/dbraw/zinc/69/09/59/1073690959.db2.gz FMNQSSAAQWDJKD-NRFANRHFSA-N 2 0 490.674 1.726 20 0 JDADRP CC(C)[NH+]1CCN(c2nnc(CNC(=O)c3cccs3)n2CCCC[NH+]2CCOCC2)CC1 ZINC001509579891 1073701581 /nfs/dbraw/zinc/70/15/81/1073701581.db2.gz DMFWBCBZULVLLP-UHFFFAOYSA-N 2 0 475.663 1.912 20 0 JDADRP CC(C)N(c1ccc(N2CC[NH+](C)CC2)nn1)c1nc(N2CCOCC2)nc2c1CC[NH2+]CC2 ZINC001164682100 719687288 /nfs/dbraw/zinc/68/72/88/719687288.db2.gz BRFPEUGYVBXPEF-UHFFFAOYSA-N 2 0 467.622 1.090 20 0 JDADRP Cn1nc(C(=O)N2CCN(C)CC2)c2c1CN(c1cc(OC3CC[NH+](C)CC3)cc[nH+]1)CC2 ZINC001164708798 719935109 /nfs/dbraw/zinc/93/51/09/719935109.db2.gz RCLXJKFVDHXCJG-UHFFFAOYSA-N 2 0 453.591 1.238 20 0 JDADRP C[NH+]1CCC(Oc2cc[nH+]c(N3C[C@@H](NC(=O)c4cnccn4)[C@H]4OCCC[C@H]4C3)c2)CC1 ZINC001164709933 720056256 /nfs/dbraw/zinc/05/62/56/720056256.db2.gz CCIVAFVJCSJXFW-LXBDKUERSA-N 2 0 452.559 1.758 20 0 JDADRP Cn1nnc2c1CCN(c1nc(Cl)cc(C3CC[NH2+]CC3)n1)[C@H]2COCC[NH+]1CCCC1 ZINC001164718822 720175029 /nfs/dbraw/zinc/17/50/29/720175029.db2.gz SBITVNODDHMPAB-IBGZPJMESA-N 2 0 461.014 1.942 20 0 JDADRP Cn1nnc2c1CCN(c1cc(OC3CC[NH+](C)CC3)cc[nH+]1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164714584 720203973 /nfs/dbraw/zinc/20/39/73/720203973.db2.gz GWNDHSIHGABPEH-JOCHJYFZSA-N 3 0 455.607 1.899 20 0 JDADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CCOC[C@@]4(CC[C@@H](CNC(=O)c5cnccn5)O4)C3)c2)CC1 ZINC001164818173 720273849 /nfs/dbraw/zinc/27/38/49/720273849.db2.gz IRUCZNZGXIWOJI-SQJMNOBHSA-N 2 0 482.585 1.529 20 0 JDADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CCOC[C@]4(CC[C@@H](CNC(=O)c5cnccn5)O4)C3)c2)CC1 ZINC001164818169 720274425 /nfs/dbraw/zinc/27/44/25/720274425.db2.gz IRUCZNZGXIWOJI-OFVILXPXSA-N 2 0 482.585 1.529 20 0 JDADRP CC(=O)N1CC(=O)N(c2cccnc2)C[C@]12CCN(c1cc(OC3CC[NH+](C)CC3)cc[nH+]1)C2 ZINC001164861342 721036662 /nfs/dbraw/zinc/03/66/62/721036662.db2.gz GUBKIFOPXQMPJH-RUZDIDTESA-N 2 0 464.570 1.794 20 0 JDADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CCO[C@H]4[C@H]3CC[C@H]4CNC(=O)c3ccnnc3)c2)CC1 ZINC001164877094 721324026 /nfs/dbraw/zinc/32/40/26/721324026.db2.gz JDPHRTWBGQLFDZ-AMHTUMDSSA-N 2 0 452.559 1.758 20 0 JDADRP O=S1(=O)Cc2cn(-c3cccc(OCC[NH+]4CCCC4)n3)c(=NCC3CC3)nc2[C@@H]2C[NH2+]C[C@@H]21 ZINC001164792407 721475540 /nfs/dbraw/zinc/47/55/40/721475540.db2.gz NNWJKMTZWADGCD-UXHICEINSA-N 2 0 484.626 1.036 20 0 JDADRP C[NH+]1CCC(Oc2ccnc(-n3cc4c(nc3=NCC3CC3)[C@H]3C[NH2+]C[C@@H]3S(=O)(=O)C4)c2)CC1 ZINC001164789755 721475827 /nfs/dbraw/zinc/47/58/27/721475827.db2.gz BYCMMTVABRLSLP-SFTDATJTSA-N 2 0 484.626 1.035 20 0 JDADRP C[NH+]1CCC(Oc2ccnc(-n3cc4c(nc3=NCC3CC3)[C@@H]3C[NH2+]C[C@H]3S(=O)(=O)C4)c2)CC1 ZINC001164789751 721475845 /nfs/dbraw/zinc/47/58/45/721475845.db2.gz BYCMMTVABRLSLP-NHCUHLMSSA-N 2 0 484.626 1.035 20 0 JDADRP C[NH+]1CCC(Oc2ccnc(-n3cc4c(nc3=NCC3CC3)[C@H]3C[NH2+]C[C@H]3S(=O)(=O)C4)c2)CC1 ZINC001164789749 721476011 /nfs/dbraw/zinc/47/60/11/721476011.db2.gz BYCMMTVABRLSLP-LEWJYISDSA-N 2 0 484.626 1.035 20 0 JDADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CCC4(CC3)CN(C(=O)c3cnccn3)CCO4)c2)CC1 ZINC001165014440 721760102 /nfs/dbraw/zinc/76/01/02/721760102.db2.gz ZFCVLALWWKKJHA-UHFFFAOYSA-N 2 0 452.559 1.856 20 0 JDADRP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(S(C)(=O)=O)nc4c3CC[NH2+]CC4)C[C@@H]21 ZINC001165017800 721799671 /nfs/dbraw/zinc/79/96/71/721799671.db2.gz ASBJJPQSURVDTH-PIPMEXSNSA-N 2 0 470.643 1.700 20 0 JDADRP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(S(C)(=O)=O)nc4c3CC[NH2+]CC4)C[C@H]21 ZINC001165017802 721799921 /nfs/dbraw/zinc/79/99/21/721799921.db2.gz ASBJJPQSURVDTH-UCNVEGJOSA-N 2 0 470.643 1.700 20 0 JDADRP C[NH+]1CCC(Oc2cc[nH+]c(N3Cc4nccn4C[C@H](CNC(=O)c4ccnnc4)C3)c2)CC1 ZINC001165005992 722241647 /nfs/dbraw/zinc/24/16/47/722241647.db2.gz WNKRQRXFUOKBRV-SFHVURJKSA-N 2 0 462.558 1.608 20 0 JDADRP CCC[N@H+](CC)CCn1c(-c2ccccn2)nnc1N1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001500783880 1069310632 /nfs/dbraw/zinc/31/06/32/1069310632.db2.gz DIAPGNBFTJHIPT-OAQYLSRUSA-N 2 0 454.623 1.815 20 0 JDADRP CCC[N@@H+]1CC[C@@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[NH+](CC(C)C)CC2)C1 ZINC001500921808 1069330299 /nfs/dbraw/zinc/33/02/99/1069330299.db2.gz LOERKPHFPSPMBK-RTBURBONSA-N 2 0 455.673 1.398 20 0 JDADRP CCC[N@@H+]1CC[C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[NH+](CC(C)C)CC2)C1 ZINC001500921806 1069330470 /nfs/dbraw/zinc/33/04/70/1069330470.db2.gz LOERKPHFPSPMBK-OALUTQOASA-N 2 0 455.673 1.398 20 0 JDADRP CCC[NH+]1CCC(N(C)c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC001500965481 1069342366 /nfs/dbraw/zinc/34/23/66/1069342366.db2.gz CTNYOTHDZMLUFR-BJKOFHAPSA-N 2 0 464.655 1.696 20 0 JDADRP CCC[NH+]1CCC(N(C)c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC(C)(C)C[NH+](C)C)CC1 ZINC001500979218 1069344071 /nfs/dbraw/zinc/34/40/71/1069344071.db2.gz SZIROGOJYFEPGH-HXUWFJFHSA-N 2 0 499.726 1.509 20 0 JDADRP C[NH+](C)CCN(C1CC[NH+](C)CC1)S(=O)(=O)c1cccc(C(=O)NCC(F)(F)F)c1 ZINC001475211108 1069397271 /nfs/dbraw/zinc/39/72/71/1069397271.db2.gz UHAVSGALAZRGCK-UHFFFAOYSA-N 2 0 450.527 1.625 20 0 JDADRP C[NH+](C)C[C@@H]1CN(S(=O)(=O)Cc2cc3c(cc2Br)OCO3)C[C@H]1C[NH+](C)C ZINC001475576260 1069497210 /nfs/dbraw/zinc/49/72/10/1069497210.db2.gz CVCMVCCCQYMRFU-HUUCEWRRSA-N 2 0 462.410 1.679 20 0 JDADRP COc1ccc(C(=O)N2CCN(C)CC2)cc1NC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC001476059940 1069593981 /nfs/dbraw/zinc/59/39/81/1069593981.db2.gz VEUXXCJNDSBCSP-WOJBJXKFSA-N 2 0 460.623 1.286 20 0 JDADRP CCN1CCN(C(=O)Cc2ccc(NC(=O)N3C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C3)cc2)CC1 ZINC001476234307 1069655030 /nfs/dbraw/zinc/65/50/30/1069655030.db2.gz BTEUVXYIFWJWAO-FGZHOGPDSA-N 2 0 458.651 1.596 20 0 JDADRP CC[NH+](CC)[C@@H](C)Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001501799810 1069727341 /nfs/dbraw/zinc/72/73/41/1069727341.db2.gz YRDBSBQUJLDCCH-ICSRJNTNSA-N 2 0 457.627 1.152 20 0 JDADRP CC[NH+](CC)[C@H](C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001501801797 1069730239 /nfs/dbraw/zinc/73/02/39/1069730239.db2.gz IRCSHRFHIJDTHQ-QHAWAJNXSA-N 2 0 497.710 1.406 20 0 JDADRP CC[NH+](CC)[C@H](C)Cn1c(CN2CCCC2=O)nnc1N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC001501804345 1069733029 /nfs/dbraw/zinc/73/30/29/1069733029.db2.gz CGVSBAJHMCAWDR-HXUWFJFHSA-N 2 0 471.654 1.577 20 0 JDADRP CC[NH+](CC)C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCC[NH+]2CCCC2)CC1 ZINC001501895617 1069756714 /nfs/dbraw/zinc/75/67/14/1069756714.db2.gz ISMIYBGORGBTND-NRFANRHFSA-N 2 0 497.710 1.408 20 0 JDADRP CC[NH+](CC)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](C)[N@H+](C)C2CC2)CC1 ZINC001501896125 1069758162 /nfs/dbraw/zinc/75/81/62/1069758162.db2.gz YDLHWECMFTYAMY-ROUUACIJSA-N 2 0 452.669 1.974 20 0 JDADRP CC[NH+](CC)CC(=O)N1CCN(c2nnc(C(=O)NC(C)C)n2CC[NH+]2CCC(C)CC2)CC1 ZINC001501899668 1069761033 /nfs/dbraw/zinc/76/10/33/1069761033.db2.gz PTNDEBNGYAPEST-UHFFFAOYSA-N 2 0 476.670 1.139 20 0 JDADRP CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cnccn3)n2C[C@H](C)C[NH+]2CCCC2)CC1 ZINC001501903549 1069769800 /nfs/dbraw/zinc/76/98/00/1069769800.db2.gz AEOABQZGWVMYMZ-HXUWFJFHSA-N 2 0 469.638 1.457 20 0 JDADRP CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001501903852 1069776349 /nfs/dbraw/zinc/77/63/49/1069776349.db2.gz LKMONAIQJXPWRZ-RTWAWAEBSA-N 2 0 485.681 1.789 20 0 JDADRP CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cccn3C)n2CC[N@@H+]2CCC[C@@H]2C)CC1 ZINC001501904132 1069780319 /nfs/dbraw/zinc/78/03/19/1069780319.db2.gz WAJLCKPSHHKXMD-FQEVSTJZSA-N 2 0 456.639 1.758 20 0 JDADRP COc1ccc([C@H](CNC(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)[NH+]2CCCC2)cc1 ZINC001477238337 1069805795 /nfs/dbraw/zinc/80/57/95/1069805795.db2.gz UEQGUHULSHFCQM-VWNXMTODSA-N 2 0 459.635 1.928 20 0 JDADRP CC[NH+](CC)CCCn1c(-c2cccnc2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001501949749 1069805893 /nfs/dbraw/zinc/80/58/93/1069805893.db2.gz SHPKJWKWARYVGT-NRFANRHFSA-N 2 0 454.623 1.815 20 0 JDADRP CC[NH+](CC)CCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@@H](C)[C@@H]([N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC001501951717 1069805942 /nfs/dbraw/zinc/80/59/42/1069805942.db2.gz FNQGWIZZISUDJI-HJNYFJLDSA-N 2 0 488.681 1.340 20 0 JDADRP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)NCC2([NH+]3CCOCC3)CCCCC2)CC1 ZINC001477240149 1069806239 /nfs/dbraw/zinc/80/62/39/1069806239.db2.gz UCWXSQPWGYFJIE-UHFFFAOYSA-N 2 0 451.656 1.947 20 0 JDADRP CC[NH+](CC)CCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001501955091 1069807327 /nfs/dbraw/zinc/80/73/27/1069807327.db2.gz NSCFVJYLNULGEX-LEWJYISDSA-N 2 0 497.710 1.408 20 0 JDADRP CC[NH+](CC)CCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001501955092 1069807367 /nfs/dbraw/zinc/80/73/67/1069807367.db2.gz NSCFVJYLNULGEX-NHCUHLMSSA-N 2 0 497.710 1.408 20 0 JDADRP CC[NH+](CC)CCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001501955094 1069807498 /nfs/dbraw/zinc/80/74/98/1069807498.db2.gz NSCFVJYLNULGEX-SFTDATJTSA-N 2 0 497.710 1.408 20 0 JDADRP CC[NH+]1CCN(Cc2ccc(CNC(=O)N3CCN(C(=O)[C@@H]4CCC[N@@H+]4C)CC3)cc2)CC1 ZINC001477250477 1069807695 /nfs/dbraw/zinc/80/76/95/1069807695.db2.gz RDYUXDHELUSZAC-QHCPKHFHSA-N 2 0 456.635 1.272 20 0 JDADRP O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)NCc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC001477472143 1069825850 /nfs/dbraw/zinc/82/58/50/1069825850.db2.gz PXYIUMZJSHHSTE-RUZDIDTESA-N 2 0 451.615 1.870 20 0 JDADRP CC[NH+](CC)CCOc1ccc(CNC(=O)N2CC[N@H+](C)C[C@H](C(=O)OC)C2)cc1OC ZINC001477532911 1069830599 /nfs/dbraw/zinc/83/05/99/1069830599.db2.gz XTRUZJIOLVWROW-IBGZPJMESA-N 2 0 450.580 1.662 20 0 JDADRP CC(=O)Nc1c[nH]nc1[C@H]1CCCN(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC001477660092 1069841908 /nfs/dbraw/zinc/84/19/08/1069841908.db2.gz ITBKQAOOVDDOBL-IBGZPJMESA-N 2 0 454.579 1.864 20 0 JDADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)NCc1ccc(CN2CCNC2=O)cc1 ZINC001477659814 1069841989 /nfs/dbraw/zinc/84/19/89/1069841989.db2.gz CKODTHICUMDWQT-UHFFFAOYSA-N 2 0 451.575 1.618 20 0 JDADRP COc1ccc(-c2nnc(CNC(=O)NCCC[NH+]3CCN(c4cc[nH+]cc4)CC3)[nH]2)cc1 ZINC001477661746 1069842232 /nfs/dbraw/zinc/84/22/32/1069842232.db2.gz YKQWGUUJJSSUAL-UHFFFAOYSA-N 2 0 450.547 1.887 20 0 JDADRP COc1ccc(C[NH+]2CCC(CNC(=O)N[C@@H]3CC[N@H+](CCN4CCOCC4)C3)CC2)cc1 ZINC001477667911 1069842869 /nfs/dbraw/zinc/84/28/69/1069842869.db2.gz UXKNSVLSVKCBLI-HSZRJFAPSA-N 2 0 459.635 1.613 20 0 JDADRP CC[N@H+](CCn1c(-c2cnn(C)c2)nnc1N1CCC[NH+](Cc2cnn(C)c2)CC1)C(C)C ZINC001502194694 1069850625 /nfs/dbraw/zinc/85/06/25/1069850625.db2.gz OTFDWCKJRXJMGG-UHFFFAOYSA-N 2 0 454.627 1.855 20 0 JDADRP CC[N@H+](CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)[NH+](CC)C[C@H]1C)C(C)C ZINC001502199230 1069854133 /nfs/dbraw/zinc/85/41/33/1069854133.db2.gz GYDZCYJWUYOSCK-AQNXPRMDSA-N 2 0 485.699 1.260 20 0 JDADRP CC[N@H+](CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC([NH2+]C(C)C)CC1)C1CC1 ZINC001502199656 1069854960 /nfs/dbraw/zinc/85/49/60/1069854960.db2.gz PWOMUZLDTYFPPW-FQEVSTJZSA-N 2 0 483.683 1.062 20 0 JDADRP CC[N@H+](CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC([NH2+]C(C)C)CC1)C1CC1 ZINC001502199657 1069855519 /nfs/dbraw/zinc/85/55/19/1069855519.db2.gz PWOMUZLDTYFPPW-HXUWFJFHSA-N 2 0 483.683 1.062 20 0 JDADRP C[C@H](CN1CC[NH+](C)CC1)NC(=O)NCC1([NH+]2CCN(c3ccccc3)CC2)CCOCC1 ZINC001477813164 1069862358 /nfs/dbraw/zinc/86/23/58/1069862358.db2.gz RSMPWNPLIRQXOD-JOCHJYFZSA-N 2 0 458.651 1.293 20 0 JDADRP CC1(C)C[N@@H+](C2(CNC(=O)N[C@@H]3CC[NH+](CCN4CCOCC4)C3)CCCCC2)CCO1 ZINC001477843700 1069867631 /nfs/dbraw/zinc/86/76/31/1069867631.db2.gz DEFJDWJUCBXPGV-OAQYLSRUSA-N 2 0 451.656 1.506 20 0 JDADRP O=C(NCC1([NH+]2CCSCC2)CCCCC1)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001477874875 1069871702 /nfs/dbraw/zinc/87/17/02/1069871702.db2.gz TXTDGFMFYJZLGT-OAQYLSRUSA-N 2 0 453.697 1.834 20 0 JDADRP CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC001477950375 1069879927 /nfs/dbraw/zinc/87/99/27/1069879927.db2.gz HWMSBOJYMSGNSQ-FQEVSTJZSA-N 2 0 451.656 1.757 20 0 JDADRP C[C@H](CNC(=O)NCc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1)N1CC[NH+](C)CC1 ZINC001477936468 1069879129 /nfs/dbraw/zinc/87/91/29/1069879129.db2.gz GFSBFAWPJBYUPG-QGZVFWFLSA-N 2 0 456.557 1.892 20 0 JDADRP NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)CC1 ZINC001478123669 1069898978 /nfs/dbraw/zinc/89/89/78/1069898978.db2.gz JIXNNEBPTFYFHZ-UHFFFAOYSA-N 2 0 457.619 1.659 20 0 JDADRP CC[N@@H+]1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2CCC[NH+]2CCC(C)CC2)C[C@H]1C ZINC001502245427 1069921232 /nfs/dbraw/zinc/92/12/32/1069921232.db2.gz SNUWEQLPWACOCM-AABGKKOBSA-N 2 0 469.700 1.929 20 0 JDADRP C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C(=O)NC2CC[NH+]([C@H]3CCC[C@H]3O)CC2)CC1 ZINC001478204425 1069925270 /nfs/dbraw/zinc/92/52/70/1069925270.db2.gz SFTMPSSCRCLZDB-LEWJYISDSA-N 2 0 451.656 1.490 20 0 JDADRP CC[NH+]1CCC(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC001502266157 1069978713 /nfs/dbraw/zinc/97/87/13/1069978713.db2.gz HVYJKEUFXRSHED-FPOVZHCZSA-N 2 0 497.710 1.169 20 0 JDADRP CC[N@@H+]1CC[C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@H](C[NH+]3CCCCC3)C2)C1 ZINC001502270403 1069986704 /nfs/dbraw/zinc/98/67/04/1069986704.db2.gz LKOUMCQZMKYIIF-ZCNNSNEGSA-N 2 0 467.684 1.542 20 0 JDADRP CC[N@@H+]1CC[C@@H](Cn2c(C(=O)NC(C)C)nnc2N2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)C1 ZINC001502270685 1069989163 /nfs/dbraw/zinc/98/91/63/1069989163.db2.gz REWRXLFKKIVMLU-NHCUHLMSSA-N 2 0 460.671 1.363 20 0 JDADRP CC[N@@H+]1CCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1C[C@H](C)[C@H]([NH+]2CCCN(C(C)=O)CC2)C1 ZINC001502282054 1070015853 /nfs/dbraw/zinc/01/58/53/1070015853.db2.gz RDLOMBBIYCTKCU-KSEOMHKRSA-N 2 0 488.681 1.280 20 0 JDADRP CC(=O)Nc1ccc(C[NH+]2CCC(NC(=O)N3C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C3)CC2)cc1 ZINC001478664793 1070036905 /nfs/dbraw/zinc/03/69/05/1070036905.db2.gz NLKSSHDSDMFFJL-FGZHOGPDSA-N 3 0 458.651 1.990 20 0 JDADRP C[C@@H](NC(=O)NCC1([NH+]2CCN(c3ccccc3)CC2)CCOCC1)[C@H]1C[N@H+](C)CCN1C ZINC001478640485 1070034584 /nfs/dbraw/zinc/03/45/84/1070034584.db2.gz BJXGJCNQVBTNDG-FYYLOGMGSA-N 2 0 458.651 1.291 20 0 JDADRP C[C@H](NC(=O)NCC1([NH+]2CCN(c3ccccc3)CC2)CCOCC1)[C@@H]1C[N@H+](C)CCN1C ZINC001478640488 1070034642 /nfs/dbraw/zinc/03/46/42/1070034642.db2.gz BJXGJCNQVBTNDG-GMAHTHKFSA-N 2 0 458.651 1.291 20 0 JDADRP CC[NH+]1CCN([C@@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CC[C@H]([NH+]3CCCCC3)C2)CC1 ZINC001502310282 1070072309 /nfs/dbraw/zinc/07/23/09/1070072309.db2.gz WJVWEJMPTNNCQY-SFTDATJTSA-N 2 0 460.671 1.507 20 0 JDADRP CC[NH+]1CCN([C@@H](C)Cn2c(C)nnc2N2CC[NH+](CCCOCC(F)(F)F)CC2)CC1 ZINC001502311124 1070077909 /nfs/dbraw/zinc/07/79/09/1070077909.db2.gz MZHKRKQQARAIFS-SFHVURJKSA-N 2 0 461.577 1.704 20 0 JDADRP CC[NH+]1CCN([C@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC[NH+](CCC(C)(C)C)CC2)CC1 ZINC001502312547 1070084668 /nfs/dbraw/zinc/08/46/68/1070084668.db2.gz OELSZOYHJRQXNY-RTWAWAEBSA-N 2 0 474.698 1.813 20 0 JDADRP CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3cnccn3)n2C[C@@H](C)N2CC[NH+](CC)CC2)C1 ZINC001502312909 1070085544 /nfs/dbraw/zinc/08/55/44/1070085544.db2.gz UYBHKLVPIZJXSY-RTWAWAEBSA-N 2 0 455.655 1.929 20 0 JDADRP CC[NH+](CC)C[C@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](C)N2CC[NH+](CC)CC2)C1 ZINC001502313367 1070088335 /nfs/dbraw/zinc/08/83/35/1070088335.db2.gz CTPWXHAUWJZPTN-VSKRKVRLSA-N 2 0 495.738 1.374 20 0 JDADRP CC[NH+](CC)CC(=O)N1CCN(c2nnc(C3CCC3)n2C[C@H](C)N2CC[NH+](CC)CC2)CC1 ZINC001502313653 1070089669 /nfs/dbraw/zinc/08/96/69/1070089669.db2.gz IOPFFAPCDLEPNQ-NRFANRHFSA-N 2 0 474.698 1.562 20 0 JDADRP C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001479178389 1070100018 /nfs/dbraw/zinc/10/00/18/1070100018.db2.gz UWKVUCUWWPYDMK-HXUWFJFHSA-N 2 0 453.578 1.835 20 0 JDADRP CC[N@@H+]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@]2(O)CC[NH+](C)C2)C[C@@H]1C ZINC001502317305 1070119010 /nfs/dbraw/zinc/11/90/10/1070119010.db2.gz DVLJYUHGSXNJHB-YADARESESA-N 2 0 455.607 1.744 20 0 JDADRP CC[N@@H+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2C[NH+](CC(C)C)CCO2)C[C@@H]1C ZINC001502318197 1070126685 /nfs/dbraw/zinc/12/66/85/1070126685.db2.gz WGNIKYQSZLGBBL-PMACEKPBSA-N 2 0 470.622 1.813 20 0 JDADRP CC[N@@H+]1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@]2(O)CC[NH+](C)C2)C[C@H]1C ZINC001502326520 1070145508 /nfs/dbraw/zinc/14/55/08/1070145508.db2.gz YATYUNDDOVLYDU-FHAGJXEFSA-N 2 0 491.681 1.990 20 0 JDADRP CC[NH+]1CCN([C@H]2CCN(c3nnc(C(=O)NC(C)C)n3CC[NH+]3CCC(C)CC3)C2)CC1 ZINC001502332239 1070170393 /nfs/dbraw/zinc/17/03/93/1070170393.db2.gz GQWOKQJUAWOCSY-NRFANRHFSA-N 2 0 460.671 1.364 20 0 JDADRP CCN1CC[NH+](C[C@@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N2CC[NH+](CC(C)C)CC2)CC1 ZINC001502343954 1070249121 /nfs/dbraw/zinc/24/91/21/1070249121.db2.gz WZLKQUKGRZHDHY-NHCUHLMSSA-N 2 0 460.671 1.281 20 0 JDADRP CC(C)[NH2+]C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001493693804 1070337200 /nfs/dbraw/zinc/33/72/00/1070337200.db2.gz VVUIGCNDRDAYFG-GUDVDZBRSA-N 2 0 469.700 1.976 20 0 JDADRP CC(C)[NH2+]C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001493693806 1070337461 /nfs/dbraw/zinc/33/74/61/1070337461.db2.gz VVUIGCNDRDAYFG-QYZOEREBSA-N 2 0 469.700 1.976 20 0 JDADRP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+](C3CCC3)C[C@H](C)C2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001494189967 1070461488 /nfs/dbraw/zinc/46/14/88/1070461488.db2.gz GDOGLMMKOWQHPE-SPEDKVCISA-N 2 0 499.751 1.636 20 0 JDADRP C[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCOCC[NH+](C)C)CC[N@@H+](C2CCC2)C1 ZINC001494348348 1070559635 /nfs/dbraw/zinc/55/96/35/1070559635.db2.gz UCDTUPDGUPVXQV-RBUKOAKNSA-N 2 0 468.668 1.069 20 0 JDADRP C[C@@H]1C[N@@H+](CCCn2c(C(=O)N3CCCC3)nnc2N2CC[NH+](C(C)(C)C)CC2)C[C@H](C)O1 ZINC001494518651 1070608918 /nfs/dbraw/zinc/60/89/18/1070608918.db2.gz KGLUCZKFXYIKRM-BGYRXZFFSA-N 2 0 461.655 1.934 20 0 JDADRP CC(C)c1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1CCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001494518101 1070609035 /nfs/dbraw/zinc/60/90/35/1070609035.db2.gz GVANBUARUUTCJQ-SFTDATJTSA-N 2 0 461.655 1.645 20 0 JDADRP CC(C)c1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001494518096 1070609157 /nfs/dbraw/zinc/60/91/57/1070609157.db2.gz GVANBUARUUTCJQ-NHCUHLMSSA-N 2 0 461.655 1.645 20 0 JDADRP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+]3CCCC[C@@H]3C2)n1CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001494519682 1070611246 /nfs/dbraw/zinc/61/12/46/1070611246.db2.gz PRQHEYNOOOSJIR-YSTOQKLRSA-N 2 0 483.683 1.062 20 0 JDADRP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+]3CCCC[C@@H]3C2)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001494519683 1070611468 /nfs/dbraw/zinc/61/14/68/1070611468.db2.gz PRQHEYNOOOSJIR-ZGXWSNOMSA-N 2 0 483.683 1.062 20 0 JDADRP C[C@H]1C[N@H+](CCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC[NH+](C(C)(C)C)CC2)CCCO1 ZINC001494532881 1070626049 /nfs/dbraw/zinc/62/60/49/1070626049.db2.gz ZUARHCKXRITXSC-SFTDATJTSA-N 2 0 496.722 1.992 20 0 JDADRP CCO[C@]1(c2nnc(N3CC[C@H](C[NH+](CC)CC)C3)n2C[C@@]2(O)CC[N@H+](C)C2)CCOC1 ZINC001502680742 1070770044 /nfs/dbraw/zinc/77/00/44/1070770044.db2.gz WQNFTURCLKGJMN-UEVCKROQSA-N 2 0 450.628 1.165 20 0 JDADRP CC[C@@H](C)c1nnc(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001495675637 1070813449 /nfs/dbraw/zinc/81/34/49/1070813449.db2.gz CDHMSCDWYJSLQO-NHCUHLMSSA-N 2 0 475.682 1.770 20 0 JDADRP CCO[C@@]1(c2nnc(N3CC[NH+](C4CCOCC4)CC3)n2C[C@@H](C)[NH+](CC)CC)CCOC1 ZINC001502720775 1070828416 /nfs/dbraw/zinc/82/84/16/1070828416.db2.gz AQFSOWOGIICLGM-YKSBVNFPSA-N 2 0 464.655 1.962 20 0 JDADRP CCO[C@]1(c2nnc(N3CC[NH+](C4CCOCC4)CC3)n2CC[N@H+](CC)C(C)C)CCOC1 ZINC001502721257 1070828892 /nfs/dbraw/zinc/82/88/92/1070828892.db2.gz DYOVWNNQYUMIHY-XMMPIXPASA-N 2 0 464.655 1.962 20 0 JDADRP CCO[C@@]1(c2nnc(N3CC[N@H+](CCOC)[C@@H](C)C3)n2CC2(SC)CC[NH+](C)CC2)CCOC1 ZINC001502725478 1070835376 /nfs/dbraw/zinc/83/53/76/1070835376.db2.gz JUWLOACFADTJIY-RDPSFJRHSA-N 2 0 496.722 1.915 20 0 JDADRP CCO[C@]1(c2nnc(N3CC[NH+](CCOC)[C@H](C)C3)n2C[C@H]2CCCC[N@@H+]2CC)CCOC1 ZINC001502726630 1070837641 /nfs/dbraw/zinc/83/76/41/1070837641.db2.gz YVFMSCAYCROQJH-PQNGQFLHSA-N 2 0 464.655 1.962 20 0 JDADRP COc1ccc(-c2nnc(N3CC[NH+](C(C)(C)C)CC3)n2C[C@@]2(O)CC[N@H+](C)C2)cc1OC ZINC001504198075 1070875636 /nfs/dbraw/zinc/87/56/36/1070875636.db2.gz LNFMAFLGBHRUTQ-XMMPIXPASA-N 2 0 458.607 1.949 20 0 JDADRP CCOCc1nnc(N2C[C@@H](C)[C@H]([N@@H+]3CCCN(C(C)=O)CC3)C2)n1CC1([NH+](C)C)CCC1 ZINC001503033321 1070988379 /nfs/dbraw/zinc/98/83/79/1070988379.db2.gz MBCUIZIAAGAIJS-TZIWHRDSSA-N 2 0 461.655 1.678 20 0 JDADRP CCOCc1nnc(N2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)n1C[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001503098148 1071042286 /nfs/dbraw/zinc/04/22/86/1071042286.db2.gz JYYYHDUZGOYYHD-NJYVYQBISA-N 2 0 461.655 1.678 20 0 JDADRP CCOCc1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001503099519 1071046626 /nfs/dbraw/zinc/04/66/26/1071046626.db2.gz NLKMUSLFQYJGPO-OYRHEFFESA-N 2 0 491.681 1.447 20 0 JDADRP COc1cccc([C@@H](Cn2c(C(=O)NC(C)C)nnc2N2CC[NH+](C[C@@H]3CCOC3)CC2)[NH+](C)C)c1 ZINC001504323465 1071057771 /nfs/dbraw/zinc/05/77/71/1071057771.db2.gz CJNTVKRUWFFJBB-NZQKXSOJSA-N 2 0 499.660 1.886 20 0 JDADRP CCOCc1nnc(N2CC[N@@H+](C3CCOCC3)C[C@H]2C)n1C[C@H](C)C[NH+]1CCN(CC)CC1 ZINC001503109804 1071064922 /nfs/dbraw/zinc/06/49/22/1071064922.db2.gz PIJIVPUECKWFBK-FGZHOGPDSA-N 2 0 477.698 1.778 20 0 JDADRP CCOCc1nnc(N2CC[NH+](C3CCOCC3)CC2)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001503110385 1071065683 /nfs/dbraw/zinc/06/56/83/1071065683.db2.gz VUFOQSQEBVAGFA-BGYRXZFFSA-N 2 0 450.628 1.615 20 0 JDADRP CCOCc1nnc(N2CC[NH+](CC3CCOCC3)CC2)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001503115225 1071076405 /nfs/dbraw/zinc/07/64/05/1071076405.db2.gz LFODJFYINPCJFO-OAQYLSRUSA-N 2 0 464.655 1.864 20 0 JDADRP CCOCc1nnc(N2CC[NH+](C[C@H]3CCOC3)CC2)n1CC(C)(C)[NH+]1CCC(OC)CC1 ZINC001503115463 1071077544 /nfs/dbraw/zinc/07/75/44/1071077544.db2.gz QUVRIJQDDRYISW-HXUWFJFHSA-N 2 0 464.655 1.863 20 0 JDADRP COc1ccccc1-c1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1C[C@@H](C)[NH+](C)C ZINC001504385282 1071118448 /nfs/dbraw/zinc/11/84/48/1071118448.db2.gz LKPSTNZYYFOBHD-LJQANCHMSA-N 2 0 455.607 1.648 20 0 JDADRP CCOCC[N@@H+]1CCN(c2nnc(-c3cnccn3)n2CC2([NH+](C)C)CCOCC2)C[C@H]1CC ZINC001503222112 1071181054 /nfs/dbraw/zinc/18/10/54/1071181054.db2.gz WYBHSHYMGNTYKR-HXUWFJFHSA-N 2 0 472.638 1.783 20 0 JDADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCn1c(N2CCC[NH+](Cc3cnn(C)c3)CC2)nnc1C(C)(C)C ZINC001503357212 1071557942 /nfs/dbraw/zinc/55/79/42/1071557942.db2.gz HLZLTWJSPMHHEI-JOCHJYFZSA-N 2 0 499.708 1.964 20 0 JDADRP C[NH+](C)C1(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)CCC1 ZINC001503386692 1071644420 /nfs/dbraw/zinc/64/44/20/1071644420.db2.gz MHUQHEQOYXBRFN-LJQANCHMSA-N 2 0 497.710 1.406 20 0 JDADRP C[NH+](C)C1(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)CCC1 ZINC001503386689 1071644637 /nfs/dbraw/zinc/64/46/37/1071644637.db2.gz MHUQHEQOYXBRFN-IBGZPJMESA-N 2 0 497.710 1.406 20 0 JDADRP C[NH+](C)CC(C)(C)Cn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC001503397565 1071656171 /nfs/dbraw/zinc/65/61/71/1071656171.db2.gz BPVOOQIRSHSBQC-FQEVSTJZSA-N 2 0 461.655 1.537 20 0 JDADRP C[NH+](C)CC(C)(C)Cn1c(Cc2ccncc2)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001503399179 1071659353 /nfs/dbraw/zinc/65/93/53/1071659353.db2.gz RQTXPNDLZRZWJU-OAQYLSRUSA-N 2 0 468.650 1.595 20 0 JDADRP CN(C)CC[NH+]1CCC(Cn2c([C@H]3CCC(=O)N3)nnc2N2CC[NH+](C(C)(C)C)CC2)CC1 ZINC001503401476 1071663899 /nfs/dbraw/zinc/66/38/99/1071663899.db2.gz MAXXKKOQISVGGQ-HXUWFJFHSA-N 2 0 460.671 1.423 20 0 JDADRP CN(C)CC[NH+]1CCC(Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC[NH+](C(C)(C)C)CC2)CC1 ZINC001503401474 1071664140 /nfs/dbraw/zinc/66/41/40/1071664140.db2.gz MAXXKKOQISVGGQ-FQEVSTJZSA-N 2 0 460.671 1.423 20 0 JDADRP C[NH+](C)CCOCCn1c([C@@H]2CCCOC2)nnc1N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC001503404234 1071670348 /nfs/dbraw/zinc/67/03/48/1071670348.db2.gz HEZRNFBSGFQMRC-LEWJYISDSA-N 2 0 450.628 1.299 20 0 JDADRP C[NH+](C)CCOCCn1c([C@H]2CCCOC2)nnc1N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC001503404235 1071670473 /nfs/dbraw/zinc/67/04/73/1071670473.db2.gz HEZRNFBSGFQMRC-SFTDATJTSA-N 2 0 450.628 1.299 20 0 JDADRP C[NH+](C)CCOCCn1c([C@H]2CCCCO2)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC001503404335 1071671063 /nfs/dbraw/zinc/67/10/63/1071671063.db2.gz JRAFODPBTXWONE-NHCUHLMSSA-N 2 0 450.628 1.647 20 0 JDADRP COCCC[N@H+](C)CCn1c(C(=O)N2CCCC2)nnc1N1CC[NH+](C2CCOCC2)C[C@H]1C ZINC001504812150 1071683530 /nfs/dbraw/zinc/68/35/30/1071683530.db2.gz ZCBVOMDWVXTMIG-HXUWFJFHSA-N 2 0 477.654 1.172 20 0 JDADRP COCCC[N@H+](C)CCn1c(C(C)C)nnc1N1C[C@H]([NH+]2CCCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001504811806 1071683565 /nfs/dbraw/zinc/68/35/65/1071683565.db2.gz QOUNPDGLPKHBSO-UNMCSNQZSA-N 2 0 463.671 1.749 20 0 JDADRP COCC[N@H+](C)CCCn1c(-c2cccn2C)nnc1N1CC[NH+](C2CCOCC2)C[C@H]1C ZINC001504850213 1071747517 /nfs/dbraw/zinc/74/75/17/1071747517.db2.gz CVLDZLQNLJKOEC-HXUWFJFHSA-N 2 0 459.639 1.941 20 0 JDADRP COCC[N@H+](C)CCn1c(C(=O)N2CCCC2)nnc1N1CCC[NH+](Cc2ccc(F)cc2)CC1 ZINC001504851620 1071751941 /nfs/dbraw/zinc/75/19/41/1071751941.db2.gz LRQYGOUJHHREEM-UHFFFAOYSA-N 2 0 487.624 1.944 20 0 JDADRP COCC[N@H+](C)CCn1c(-c2cccc(Cl)c2)nnc1N1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001504854178 1071761597 /nfs/dbraw/zinc/76/15/97/1071761597.db2.gz KDKDUKGHFWWXIF-OAQYLSRUSA-N 2 0 490.052 1.920 20 0 JDADRP COCC[N@H+](C)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001504854891 1071764973 /nfs/dbraw/zinc/76/49/73/1071764973.db2.gz NQKDZMNSGQNALM-IBGZPJMESA-N 2 0 456.595 1.568 20 0 JDADRP COCC[N@@H+]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@]2([NH+](C)C)CCSC2)C[C@H]1C ZINC001504906493 1071850386 /nfs/dbraw/zinc/85/03/86/1071850386.db2.gz YWEHQNSTKCFRJQ-UTKZUKDTSA-N 2 0 453.657 1.011 20 0 JDADRP COCC[N@@H+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@]2([NH+](C)C)CCSC2)C[C@H]1C ZINC001504909994 1071863321 /nfs/dbraw/zinc/86/33/21/1071863321.db2.gz JNUXLKKGVHIINO-HUVFLSCGSA-N 2 0 496.722 1.913 20 0 JDADRP COCC[N@@H+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[NH+]2CCCC(C)(C)C2)C[C@@H]1C ZINC001504909510 1071861452 /nfs/dbraw/zinc/86/14/52/1071861452.db2.gz ZUYYZFSSHRCQGP-OALUTQOASA-N 2 0 485.699 1.167 20 0 JDADRP COCC[N@@H+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[NH+]2CCCC(C)(C)C2)C[C@H]1C ZINC001504909532 1071861535 /nfs/dbraw/zinc/86/15/35/1071861535.db2.gz ZUYYZFSSHRCQGP-RTBURBONSA-N 2 0 485.699 1.167 20 0 JDADRP COCC[N@@H+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@]2([NH+](C)C)CCSC2)C[C@H]1C ZINC001504909999 1071863340 /nfs/dbraw/zinc/86/33/40/1071863340.db2.gz JNUXLKKGVHIINO-QDSKXPNFSA-N 2 0 496.722 1.913 20 0 JDADRP COCC[N@@H+]1CCN(c2nnc(-c3cccc(C)n3)n2CCC[NH+]2CCC[C@@H]2C(=O)N(C)C)C[C@H]1C ZINC001504917189 1071882358 /nfs/dbraw/zinc/88/23/58/1071882358.db2.gz OSTAONKUUSUHFL-FYYLOGMGSA-N 2 0 498.676 1.748 20 0 JDADRP COCC[N@@H+]1CCN(c2nnc(-c3ccccn3)n2CCC[NH+]2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC001504915880 1071878548 /nfs/dbraw/zinc/87/85/48/1071878548.db2.gz OWHCICMGIWXRGY-PCCBWWKXSA-N 2 0 457.623 1.996 20 0 JDADRP COCC[N@@H+]1CCN(c2nnc(-c3ccccn3)n2CCC[NH+]2C[C@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC001504915875 1071878630 /nfs/dbraw/zinc/87/86/30/1071878630.db2.gz OWHCICMGIWXRGY-ACRUOGEOSA-N 2 0 457.623 1.996 20 0 JDADRP COCC[N@@H+]1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc43)n2C[C@@H](C)[NH+](C)C)C[C@H]1C ZINC001504916595 1071881071 /nfs/dbraw/zinc/88/10/71/1071881071.db2.gz HPKCFFWXZMHSST-QZTJIDSGSA-N 2 0 468.606 1.299 20 0 JDADRP COCC[N@@H+]1CCN(c2nnc([C@H]3CCOC3)n2CC(C)(C)[NH+]2CCC(OC)CC2)C[C@H]1C ZINC001504920960 1071894614 /nfs/dbraw/zinc/89/46/14/1071894614.db2.gz SNZMGJYXEDXWJE-UXHICEINSA-N 2 0 464.655 1.828 20 0 JDADRP COCC[N@@H+]1CCN(c2nnc(CN3CCCC3=O)n2CCC[NH+]2CCC(C)CC2)C[C@H]1C ZINC001504923874 1071905247 /nfs/dbraw/zinc/90/52/47/1071905247.db2.gz KNIODYGHGBBSSH-OAQYLSRUSA-N 2 0 461.655 1.679 20 0 JDADRP COCC[N@@H+]1CCN(c2nnc(CNC(=O)c3cccs3)n2CC[NH+]2CCC[C@H]2C)C[C@@H]1C ZINC001504924711 1071909781 /nfs/dbraw/zinc/90/97/81/1071909781.db2.gz FFPGOOCCRZWWJL-MOPGFXCFSA-N 2 0 475.663 1.911 20 0 JDADRP COCCO[C@H](C)c1nnc(N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)n1CCC[NH+]1CCC(O)CC1 ZINC001504949654 1071994742 /nfs/dbraw/zinc/99/47/42/1071994742.db2.gz IPBXKVLBDUTQIZ-XUVXKRRUSA-N 2 0 450.628 1.522 20 0 JDADRP COCCO[C@H](C)c1nnc(N2CC[N@@H+](C3CCOCC3)C[C@H]2C)n1CC[NH+]1CCSCC1 ZINC001504995688 1072065653 /nfs/dbraw/zinc/06/56/53/1072065653.db2.gz SFORLQKTXRUTHZ-WOJBJXKFSA-N 2 0 482.695 1.740 20 0 JDADRP C[NH+](C)CCn1c(=O)[nH]c2ccc(C(=O)N[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3CO)cc21 ZINC001466130954 1067863296 /nfs/dbraw/zinc/86/32/96/1067863296.db2.gz CMWRPLYCFZWSOZ-SFTDATJTSA-N 2 0 451.571 1.916 20 0 JDADRP COc1cc(N2CCS(=O)(=O)CC2)ccc1NC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC001466219705 1067870701 /nfs/dbraw/zinc/87/07/01/1067870701.db2.gz NKLQLAJFLOSDIT-QZTJIDSGSA-N 2 0 467.636 1.133 20 0 JDADRP NC(=O)CCNC(=O)c1ccc(NC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC001466710936 1067904493 /nfs/dbraw/zinc/90/44/93/1067904493.db2.gz ULBXCUBITTUUMG-UHFFFAOYSA-N 2 0 453.547 1.021 20 0 JDADRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@H](C)C2)CC1 ZINC001467604745 1068036534 /nfs/dbraw/zinc/03/65/34/1068036534.db2.gz ZIJFPESVEUUAKZ-RDGATRHJSA-N 2 0 456.679 1.992 20 0 JDADRP CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC001467880068 1068083635 /nfs/dbraw/zinc/08/36/35/1068083635.db2.gz CLBGLLHLGNFVLF-VWLOTQADSA-N 2 0 452.603 1.612 20 0 JDADRP CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)NCc1ccnc(N2CC[NH+](C)CC2)c1 ZINC001467880065 1068083785 /nfs/dbraw/zinc/08/37/85/1068083785.db2.gz CLBGLLHLGNFVLF-RUZDIDTESA-N 2 0 452.603 1.612 20 0 JDADRP CC(C)(C)OC(=O)N1C[C@@H](O)[C@@H](CNC(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC001468363712 1068257328 /nfs/dbraw/zinc/25/73/28/1068257328.db2.gz PNNWHUGXDRYSSM-AZUAARDMSA-N 2 0 462.595 1.121 20 0 JDADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCNC(=O)NCCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC001468452496 1068282247 /nfs/dbraw/zinc/28/22/47/1068282247.db2.gz KYLLPPYQSGHCKN-QFIPXVFZSA-N 2 0 459.635 1.646 20 0 JDADRP C[NH+](C)C[C@@H]1CN(C(=O)NCc2cccc(N3C(=O)N[C@](C)(C4CC4)C3=O)c2)C[C@H]1C[NH+](C)C ZINC001470138120 1068707592 /nfs/dbraw/zinc/70/75/92/1068707592.db2.gz QAIQVQCADBJPMB-MPCDZSKCSA-N 2 0 470.618 1.792 20 0 JDADRP Cc1ccc(S(=O)(=O)N2CCC(C(=O)N3C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C3)CC2)cc1C ZINC001471107738 1068836147 /nfs/dbraw/zinc/83/61/47/1068836147.db2.gz UYRDSPYEVKYIKP-FGZHOGPDSA-N 2 0 464.676 1.902 20 0 JDADRP CC[C@@H]1CCCC[N@@H+]1CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001499462665 1069004518 /nfs/dbraw/zinc/00/45/18/1069004518.db2.gz IAILEIOZHWYJDI-WOJBJXKFSA-N 2 0 469.700 1.931 20 0 JDADRP CC[C@H]1CN(c2nnc(-c3cccnc3)n2CC2([NH+](C)C)CCOCC2)CC[N@@H+]1CCOC ZINC001499711493 1069046928 /nfs/dbraw/zinc/04/69/28/1069046928.db2.gz NNFBOLJODMQZRA-NRFANRHFSA-N 2 0 457.623 1.998 20 0 JDADRP CC[C@H]1CN(c2nnc(-c3cnccn3)n2C[C@@H](C)C[NH+]2CCOCC2)CC[N@@H+]1CCOC ZINC001499718971 1069049002 /nfs/dbraw/zinc/04/90/02/1069049002.db2.gz DJRRCNWQXCVSDK-PMACEKPBSA-N 2 0 458.611 1.250 20 0 JDADRP CC[C@H]1CN(c2nnc(-c3cnccn3)n2C[C@@]2([NH+](C)C)CCSC2)CC[N@@H+]1CCOC ZINC001499719349 1069049844 /nfs/dbraw/zinc/04/98/44/1069049844.db2.gz HRYJANMLTDHTFA-AVRDEDQJSA-N 2 0 460.652 1.719 20 0 JDADRP C[NH+](C)CC1CC[NH+](CC(=O)N2CCN(S(=O)(=O)c3ccc4ccccc4c3)CC2)CC1 ZINC001473107513 1069072252 /nfs/dbraw/zinc/07/22/52/1069072252.db2.gz INKGSJLOWAKIAM-UHFFFAOYSA-N 2 0 458.628 1.946 20 0 JDADRP NS(=O)(=O)c1ccc(CCNC(=O)CC[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)cc1 ZINC001473148285 1069081445 /nfs/dbraw/zinc/08/14/45/1069081445.db2.gz UDNQROYMSZYIQF-NRFANRHFSA-N 2 0 450.649 1.971 20 0 JDADRP C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC001473207506 1069094548 /nfs/dbraw/zinc/09/45/48/1069094548.db2.gz UGMIHAFRXPKIAJ-NRFANRHFSA-N 2 0 457.667 1.642 20 0 JDADRP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC001473221433 1069098069 /nfs/dbraw/zinc/09/80/69/1069098069.db2.gz FTZMOBOJLLKIGQ-LJQANCHMSA-N 2 0 450.649 1.969 20 0 JDADRP CN(c1ccccc1C[NH2+]CCC(=O)N1CCN(c2ncccn2)CC1)C1CC[NH+](C)CC1 ZINC001473974930 1069237984 /nfs/dbraw/zinc/23/79/84/1069237984.db2.gz XRZNRAAZEJRQFQ-UHFFFAOYSA-N 2 0 451.619 1.836 20 0 JDADRP CCCC[N@H+](C)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[NH+](Cc2cnn(C)c2)CC1 ZINC001500414889 1069247166 /nfs/dbraw/zinc/24/71/66/1069247166.db2.gz AOIWAJSOJDISIS-HXUWFJFHSA-N 2 0 457.627 1.407 20 0 JDADRP CSC1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@H]3CCC[N@@H+]3C[C@H]2C)CC[NH+](C)CC1 ZINC001505188602 1072407086 /nfs/dbraw/zinc/40/70/86/1072407086.db2.gz VQFJOPDYLWOWHD-FGTMMUONSA-N 2 0 485.724 1.389 20 0 JDADRP CSC1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)CC[NH+](C)CC1 ZINC001505188604 1072407233 /nfs/dbraw/zinc/40/72/33/1072407233.db2.gz VQFJOPDYLWOWHD-SQNIBIBYSA-N 2 0 485.724 1.389 20 0 JDADRP C[C@H]1C[N@@H+](C2CCOCC2)CCN1c1nnc([C@H]2CCCCO2)n1CCOCC[NH+](C)C ZINC001505288725 1072471180 /nfs/dbraw/zinc/47/11/80/1072471180.db2.gz ZYWGLMDVIMXMEF-PZJWPPBQSA-N 2 0 450.628 1.787 20 0 JDADRP CC(=O)N1CCC[N@@H+]([C@@H]2CN(c3nnc(-c4cccnc4)n3CCOCC[NH+](C)C)C[C@H]2C)CC1 ZINC001508231258 1072995790 /nfs/dbraw/zinc/99/57/90/1072995790.db2.gz GIISFXBHJGGEFQ-NFBKMPQASA-N 2 0 484.649 1.297 20 0 JDADRP CC(C)(C)Cc1nnc(N2CCC(OCC(N)=O)CC2)n1CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001508574182 1073278488 /nfs/dbraw/zinc/27/84/88/1073278488.db2.gz UCKYBZZCWDUEIB-UHFFFAOYSA-N 2 0 498.676 1.945 20 0 JDADRP CC(C)C[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](C[NH+]2CCOCC2)C1)[NH+](C)C ZINC001509117097 1073506073 /nfs/dbraw/zinc/50/60/73/1073506073.db2.gz ALTIAVMVVSUYIC-ACRUOGEOSA-N 2 0 461.655 1.754 20 0 JDADRP CC(C)Cc1nnc(N2CCC[NH+](Cc3cnn(C)c3)CC2)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001509202129 1073525574 /nfs/dbraw/zinc/52/55/74/1073525574.db2.gz ROAHGSUHSCLANE-HSZRJFAPSA-N 2 0 499.708 1.865 20 0 JDADRP CC(C)Cc1nnc(N2CC[NH+](CCCOCC(F)(F)F)CC2)n1C[C@@]1(O)CC[N@H+](C)C1 ZINC001509252992 1073546759 /nfs/dbraw/zinc/54/67/59/1073546759.db2.gz GFXPRUPCJZJNEC-HXUWFJFHSA-N 2 0 462.561 1.634 20 0 JDADRP CC(C)C[NH+]1CCN(c2nnc(CN3CCCC3=O)n2CCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC001509432610 1073611798 /nfs/dbraw/zinc/61/17/98/1073611798.db2.gz MNMUNUUWNVIWBA-UHFFFAOYSA-N 2 0 460.671 1.205 20 0 JDADRP CC(C)C[N@@H+]1CCO[C@H](Cn2c(C(C)C)nnc2N2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C1 ZINC001509436635 1073617942 /nfs/dbraw/zinc/61/79/42/1073617942.db2.gz SKNHOQUEICOFRP-SFTDATJTSA-N 2 0 461.655 1.501 20 0 JDADRP CC(C)[N@H+](C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC[NH+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001509527532 1073668452 /nfs/dbraw/zinc/66/84/52/1073668452.db2.gz LIPALWWQOCDKQN-BHIFYINESA-N 2 0 495.738 1.515 20 0 JDADRP CC(C)[NH+]1CCC(N2CCN(c3nnc(-c4cnccn4)n3CCOCC[NH+](C)C)CC2)CC1 ZINC001509549893 1073675105 /nfs/dbraw/zinc/67/51/05/1073675105.db2.gz SEJIYGBCGOJTJY-UHFFFAOYSA-N 2 0 471.654 1.308 20 0 JDADRP CC(C)[N@@H+]1CCCN(c2nnc([C@H]3CCC(=O)N3)n2CCC[NH+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC001509561300 1073682833 /nfs/dbraw/zinc/68/28/33/1073682833.db2.gz RAEBAGOMRVMXNG-UXHICEINSA-N 2 0 474.654 1.092 20 0 JDADRP CC(C)[N@@H+]1CCCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCC[NH+]2CCCC2)CC1 ZINC001509562238 1073684014 /nfs/dbraw/zinc/68/40/14/1073684014.db2.gz WXUCCRFDCPSDIS-HXUWFJFHSA-N 2 0 483.683 1.017 20 0 JDADRP CC(C)(C)C(=O)Nc1ccnc(N2CCCO[C@]3(C[NH2+]CCOC3)C2)c1C[N@@H+]1CC[C@@H](CO)C1 ZINC001164425823 718915028 /nfs/dbraw/zinc/91/50/28/718915028.db2.gz VOWCNNJRSIWRTD-KBMIEXCESA-N 2 0 475.634 1.466 20 0 JDADRP CC(C)(C)C(=O)Nc1ccnc(N2CCCO[C@@]3(C[NH2+]CCOC3)C2)c1C[N@@H+]1CC[C@@H](CO)C1 ZINC001164425821 718915455 /nfs/dbraw/zinc/91/54/55/718915455.db2.gz VOWCNNJRSIWRTD-CLOONOSVSA-N 2 0 475.634 1.466 20 0 JDADRP C[NH+](C)CCNC(=O)C[C@H]1CC2(CCN(c3ccc(N4CC[NH2+]CC4)nn3)CC2)c2ccccc21 ZINC001164679941 719660465 /nfs/dbraw/zinc/66/04/65/719660465.db2.gz AYZHTQBRIBIAOO-NRFANRHFSA-N 2 0 477.657 1.980 20 0 JDADRP CC(C)N(c1cccc(N2CC[NH+](C)CC2)n1)c1nc(N2CCOCC2)nc2c1CC[NH2+]CC2 ZINC001164688250 719687305 /nfs/dbraw/zinc/68/73/05/719687305.db2.gz YUKJGUNUCWJHER-UHFFFAOYSA-N 2 0 466.634 1.695 20 0 JDADRP Cn1nnc2c1CCN(c1cccc(OCC[NH+]3CCCC3)n1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164717093 720192823 /nfs/dbraw/zinc/19/28/23/720192823.db2.gz SBBXBICUEVCKGD-OAQYLSRUSA-N 2 0 455.607 1.901 20 0 JDADRP Cn1nnc2c1CCN(c1ccc(OCC3CC[NH2+]CC3)cn1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164718934 720206158 /nfs/dbraw/zinc/20/61/58/720206158.db2.gz PFHXMEMZUMHNTQ-JOCHJYFZSA-N 2 0 455.607 1.805 20 0 JDADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CCOC[C@@]4(CC[C@H](CNC(=O)c5cnccn5)O4)C3)c2)CC1 ZINC001164818171 720275259 /nfs/dbraw/zinc/27/52/59/720275259.db2.gz IRUCZNZGXIWOJI-PXDATVDWSA-N 2 0 482.585 1.529 20 0 JDADRP O=C(c1cccnc1N1CC[C@@H]2[C@@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1)N1CC[NH2+]CC1 ZINC001164746661 720837644 /nfs/dbraw/zinc/83/76/44/720837644.db2.gz PVLFJCIDCVJPJC-TUNNFDKTSA-N 2 0 450.591 1.098 20 0 JDADRP c1ncn(C[C@@H]2C[C@H]3CN(c4ccc(OCC5CC[NH2+]CC5)nn4)CC[C@@H]3[N@H+]2CC2CC2)n1 ZINC001164748782 720855004 /nfs/dbraw/zinc/85/50/04/720855004.db2.gz MCUNRAOAVIYFOH-FKBYEOEOSA-N 2 0 452.607 1.826 20 0 JDADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CC[C@]4(C3)C[C@@H](NC(=O)c3cnccn3)CCO4)c2)CC1 ZINC001164869047 721215921 /nfs/dbraw/zinc/21/59/21/721215921.db2.gz AUQZWNCWFLBNAD-MHECFPHRSA-N 2 0 452.559 1.903 20 0 JDADRP O=S1(=O)Cc2cn(-c3cccc(OCC[NH+]4CCCC4)n3)c(=NCC3CC3)nc2[C@H]2C[NH2+]C[C@@H]21 ZINC001164792406 721475295 /nfs/dbraw/zinc/47/52/95/721475295.db2.gz NNWJKMTZWADGCD-PMACEKPBSA-N 2 0 484.626 1.036 20 0 JDADRP Cc1nc(CN2CCOC[C@]3(CN(c4cccc(N5CCC([NH3+])CC5)[nH+]4)CCO3)C2)cs1 ZINC001164923893 721831109 /nfs/dbraw/zinc/83/11/09/721831109.db2.gz VFJNYXXBXUNIRN-HSZRJFAPSA-N 2 0 458.632 1.882 20 0 JDADRP Cn1cc(C(=O)NC[C@@H]2OC[C@@H]3CN(c4cc(OC5CC[NH+](C)CC5)cc[nH+]4)CC[C@@H]23)cn1 ZINC001164962628 722032041 /nfs/dbraw/zinc/03/20/41/722032041.db2.gz YGZKHEMYXDLSFJ-BWAGFHJFSA-N 2 0 454.575 1.559 20 0 JDADRP Cn1cc(C(=O)NC[C@@H]2OC[C@H]3CN(c4cc(OC5CC[NH+](C)CC5)cc[nH+]4)CC[C@H]32)cn1 ZINC001164962629 722032184 /nfs/dbraw/zinc/03/21/84/722032184.db2.gz YGZKHEMYXDLSFJ-QIJUGHKUSA-N 2 0 454.575 1.559 20 0 JDADRP CCC[N@H+](CC)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[NH+](C(C)(C)C)CC1 ZINC001500789669 1069312673 /nfs/dbraw/zinc/31/26/73/1069312673.db2.gz FZYDZLIAVOVMET-FQEVSTJZSA-N 2 0 499.726 1.654 20 0 JDADRP CCC[NH+]1CCC(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)CC1 ZINC001500921966 1069330119 /nfs/dbraw/zinc/33/01/19/1069330119.db2.gz MMDIIEUXVBXXEP-HBFSDRIKSA-N 2 0 467.684 1.683 20 0 JDADRP CCC[NH+]1CCC(N(C)c2nnc([C@H](C)NS(C)(=O)=O)n2CC2(O)CC[NH+](C(C)C)CC2)CC1 ZINC001500963914 1069341785 /nfs/dbraw/zinc/34/17/85/1069341785.db2.gz IXSMHGAFFXQMLS-IBGZPJMESA-N 2 0 499.726 1.434 20 0 JDADRP CCC[NH+]1CCC(N(C)c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[NH+]2CCCC2)CC1 ZINC001500979635 1069343867 /nfs/dbraw/zinc/34/38/67/1069343867.db2.gz YGCQVFZCABTLMA-FQEVSTJZSA-N 2 0 483.683 1.017 20 0 JDADRP CCCN1CCCN(c2nnc(CC)n2CCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CC1=O ZINC001501028563 1069364457 /nfs/dbraw/zinc/36/44/57/1069364457.db2.gz VSOLRBBOCXGJNR-UHFFFAOYSA-N 2 0 454.623 1.897 20 0 JDADRP CC[NH+](CC)[C@H](C)Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001501799812 1069726861 /nfs/dbraw/zinc/72/68/61/1069726861.db2.gz YRDBSBQUJLDCCH-UYAOXDASSA-N 2 0 457.627 1.152 20 0 JDADRP CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001501801796 1069729772 /nfs/dbraw/zinc/72/97/72/1069729772.db2.gz IRCSHRFHIJDTHQ-NJYVYQBISA-N 2 0 497.710 1.406 20 0 JDADRP CC[NH+](CC)[C@H](C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001501802368 1069731195 /nfs/dbraw/zinc/73/11/95/1069731195.db2.gz QNUOQBXSVZDTIQ-QHAWAJNXSA-N 2 0 497.710 1.406 20 0 JDADRP CC[NH+](CC)C1CCN(c2nnc(C(=O)NC(C)C)n2CC2(O)CC[NH+](C(C)C)CC2)CC1 ZINC001501885938 1069752855 /nfs/dbraw/zinc/75/28/55/1069752855.db2.gz NPADVJJPZLIAAT-UHFFFAOYSA-N 2 0 463.671 1.962 20 0 JDADRP CC[NH+](CC)CC(=O)N1CCN(c2nnc(C(C)(C)C)n2CCC[NH+]2CCC(O)CC2)CC1 ZINC001501901781 1069769994 /nfs/dbraw/zinc/76/99/94/1069769994.db2.gz ZPLTXFNQSYPPGZ-UHFFFAOYSA-N 2 0 463.671 1.413 20 0 JDADRP CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cnccn3)n2CC[N@H+](C)C2CCCCC2)CC1 ZINC001501903547 1069770083 /nfs/dbraw/zinc/77/00/83/1069770083.db2.gz ADUOHQMKNZMFER-UHFFFAOYSA-N 2 0 483.665 1.990 20 0 JDADRP CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cccnc3)n2CCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC001501903579 1069770716 /nfs/dbraw/zinc/77/07/16/1069770716.db2.gz BFRMKGMFGRAMLA-VXKWHMMOSA-N 2 0 498.676 1.830 20 0 JDADRP CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cnccn3)n2CCC[N@@H+]2CCCO[C@@H](C)C2)CC1 ZINC001501903634 1069771928 /nfs/dbraw/zinc/77/19/28/1069771928.db2.gz DFQQBIXGWZCDTQ-NRFANRHFSA-N 2 0 499.664 1.226 20 0 JDADRP CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccc[nH]3)n2C[C@H](C(C)C)[NH+]2CCOCC2)CC1 ZINC001501903729 1069773088 /nfs/dbraw/zinc/77/30/88/1069773088.db2.gz HGTKQMJDSPRLDG-JOCHJYFZSA-N 2 0 486.665 1.620 20 0 JDADRP CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H](C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001501903853 1069776943 /nfs/dbraw/zinc/77/69/43/1069776943.db2.gz LKMONAIQJXPWRZ-SFTDATJTSA-N 2 0 485.681 1.789 20 0 JDADRP CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@H]3CCCO3)n2CC[NH+]2CCSCC2)CC1 ZINC001501910586 1069800702 /nfs/dbraw/zinc/80/07/02/1069800702.db2.gz WAKATEKWHHCEDT-LJQANCHMSA-N 2 0 465.668 1.169 20 0 JDADRP CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC[N@@H+]2CCCO[C@H](C)C2)C1 ZINC001501934977 1069803840 /nfs/dbraw/zinc/80/38/40/1069803840.db2.gz PBIMLOIABUVBTF-BHIFYINESA-N 2 0 496.722 1.849 20 0 JDADRP CC[NH+](CC)CCCn1c(C(=O)N2CCCC2)nnc1N1CCC(C[NH+]2CCOCC2)CC1 ZINC001501941607 1069804986 /nfs/dbraw/zinc/80/49/86/1069804986.db2.gz OZKMXEAEZSHRLR-UHFFFAOYSA-N 2 0 461.655 1.795 20 0 JDADRP COc1ccc([C@@H](CNC(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)[NH+]2CCCC2)cc1 ZINC001477238220 1069805911 /nfs/dbraw/zinc/80/59/11/1069805911.db2.gz UEQGUHULSHFCQM-LADGPHEKSA-N 2 0 459.635 1.928 20 0 JDADRP CC[NH+](CC)CCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H](C)[C@H]([N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC001501951718 1069806017 /nfs/dbraw/zinc/80/60/17/1069806017.db2.gz FNQGWIZZISUDJI-ILWGZMRPSA-N 2 0 488.681 1.340 20 0 JDADRP CC[NH+]1CCN(Cc2ccc(CNC(=O)N3CCN(C(=O)[C@H]4CCC[N@@H+]4C)CC3)cc2)CC1 ZINC001477250476 1069807854 /nfs/dbraw/zinc/80/78/54/1069807854.db2.gz RDYUXDHELUSZAC-HSZRJFAPSA-N 2 0 456.635 1.272 20 0 JDADRP CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001501980824 1069810864 /nfs/dbraw/zinc/81/08/64/1069810864.db2.gz MGLJJAHZKGAOBG-YSFYHYPLSA-N 2 0 474.698 1.954 20 0 JDADRP C[NH+]1CCN(c2ccc(CNC(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3CO)cn2)CC1 ZINC001477413093 1069821105 /nfs/dbraw/zinc/82/11/05/1069821105.db2.gz JGQBCXLDMJLDRU-DHIUTWEWSA-N 2 0 452.603 1.516 20 0 JDADRP O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)NCc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC001477471522 1069825868 /nfs/dbraw/zinc/82/58/68/1069825868.db2.gz IUIJBAIHLLHSBL-VWLOTQADSA-N 2 0 451.615 1.870 20 0 JDADRP COc1ccc(C[NH+]2CCC(CNC(=O)N[C@H]3CC[N@H+](CCN4CCOCC4)C3)CC2)cc1 ZINC001477667912 1069842786 /nfs/dbraw/zinc/84/27/86/1069842786.db2.gz UXKNSVLSVKCBLI-QHCPKHFHSA-N 2 0 459.635 1.613 20 0 JDADRP CC[N@H+](CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[NH+](Cc2cnn(C)c2)CC1)C(C)C ZINC001502195796 1069851514 /nfs/dbraw/zinc/85/15/14/1069851514.db2.gz BWIRABLYGILMFY-FQEVSTJZSA-N 2 0 457.627 1.405 20 0 JDADRP CC[N@H+](CCn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](C[NH+]2CCOCC2)C1)C(C)C ZINC001502203614 1069857627 /nfs/dbraw/zinc/85/76/27/1069857627.db2.gz RBUHPHKIXYOSDL-NRFANRHFSA-N 2 0 461.655 1.679 20 0 JDADRP CC[NH+](CC)CCCNC(=O)C1CCN(C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)CC1 ZINC001477950377 1069879860 /nfs/dbraw/zinc/87/98/60/1069879860.db2.gz HWMSBOJYMSGNSQ-HXUWFJFHSA-N 2 0 451.656 1.757 20 0 JDADRP CC[N@@H+]1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2C[NH+](CC(C)C)CCO2)C[C@H]1C ZINC001502244043 1069912635 /nfs/dbraw/zinc/91/26/35/1069912635.db2.gz BBXUEMIHOWTZRH-FUMNGEBKSA-N 2 0 485.699 1.164 20 0 JDADRP CC[N@@H+]1C[C@@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2CC2([NH+](C)C)CCOCC2)C[C@H]1C ZINC001502245004 1069921051 /nfs/dbraw/zinc/92/10/51/1069921051.db2.gz NRWJXLXRXFLPQT-RTBURBONSA-N 2 0 470.622 1.955 20 0 JDADRP CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C)[NH+](C)C2CC2)C[C@H]1C ZINC001502258147 1069958037 /nfs/dbraw/zinc/95/80/37/1069958037.db2.gz UURMBLGEHNCWHW-DMUMMCEESA-N 2 0 483.683 1.013 20 0 JDADRP CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)[NH+](C)C2CC2)C[C@H]1C ZINC001502258150 1069958430 /nfs/dbraw/zinc/95/84/30/1069958430.db2.gz UURMBLGEHNCWHW-XSYGEPLQSA-N 2 0 483.683 1.013 20 0 JDADRP CC[N@@H+]1CCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCCN(C(C)=O)CC2)C1 ZINC001502282053 1070016087 /nfs/dbraw/zinc/01/60/87/1070016087.db2.gz RDLOMBBIYCTKCU-FCEUIQTBSA-N 2 0 488.681 1.280 20 0 JDADRP CC[N@@H+]1CCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[NH+](CCc2ccccc2)CC1 ZINC001502281661 1070015037 /nfs/dbraw/zinc/01/50/37/1070015037.db2.gz LCYCMRUWDUTYNP-UNMCSNQZSA-N 2 0 489.690 1.737 20 0 JDADRP CC[N@@H+]1CCCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CC[NH+](C2CCOCC2)C[C@H]1C ZINC001502292174 1070033902 /nfs/dbraw/zinc/03/39/02/1070033902.db2.gz NJJQNXMLMCQWQB-CTNGQTDRSA-N 2 0 461.655 1.980 20 0 JDADRP CC[NH+]1CCN([C@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CC[C@@H]([NH+]3CCCCC3)C2)CC1 ZINC001502310280 1070072151 /nfs/dbraw/zinc/07/21/51/1070072151.db2.gz WJVWEJMPTNNCQY-NHCUHLMSSA-N 2 0 460.671 1.507 20 0 JDADRP CC[NH+]1CCN([C@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CC[C@H]([NH+]3CCCCC3)C2)CC1 ZINC001502310281 1070072674 /nfs/dbraw/zinc/07/26/74/1070072674.db2.gz WJVWEJMPTNNCQY-RTWAWAEBSA-N 2 0 460.671 1.507 20 0 JDADRP CC[NH+]1CCN([C@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N2CC[NH+](CCC(C)(C)C)CC2)CC1 ZINC001502312546 1070084300 /nfs/dbraw/zinc/08/43/00/1070084300.db2.gz OELSZOYHJRQXNY-NHCUHLMSSA-N 2 0 474.698 1.813 20 0 JDADRP CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccccc3)n2C[C@@H](C)N2CC[NH+](CC)CC2)CC1 ZINC001502313081 1070087285 /nfs/dbraw/zinc/08/72/85/1070087285.db2.gz XRALWGMOSNQJJZ-HSZRJFAPSA-N 2 0 496.704 1.962 20 0 JDADRP CC[NH+]1CCN([C@H](C)Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC([NH2+]C(C)C)CC2)CC1 ZINC001502314404 1070093611 /nfs/dbraw/zinc/09/36/11/1070093611.db2.gz UWNXYBOMYSZJTI-UXHICEINSA-N 2 0 481.711 1.173 20 0 JDADRP CC[NH+]1CCN([C@H](C)Cn2c(Cc3ccncc3)nnc2N2CC[N@H+](CCOC)[C@@H](C)C2)CC1 ZINC001502315173 1070097849 /nfs/dbraw/zinc/09/78/49/1070097849.db2.gz IILRLHVDOLNGTB-FCHUYYIVSA-N 2 0 470.666 1.447 20 0 JDADRP CC[NH+]1CCN([C@@H](C)Cn2c(Cc3ccncc3)nnc2N2CC[N@H+](CCOC)[C@@H](C)C2)CC1 ZINC001502315175 1070098205 /nfs/dbraw/zinc/09/82/05/1070098205.db2.gz IILRLHVDOLNGTB-VXKWHMMOSA-N 2 0 470.666 1.447 20 0 JDADRP CC[NH+]1CCN([C@@H](C)Cn2c(CNC(=O)c3cccs3)nnc2N2CC[N@H+](CC)[C@@H](C)C2)CC1 ZINC001502315705 1070104597 /nfs/dbraw/zinc/10/45/97/1070104597.db2.gz TTYOEIPNXNZKAR-PMACEKPBSA-N 2 0 488.706 1.826 20 0 JDADRP CC[N@@H+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](C)[NH+]2CCc3ccccc3C2)C[C@@H]1C ZINC001502317820 1070122990 /nfs/dbraw/zinc/12/29/90/1070122990.db2.gz OREJXXMBZFGTTA-ZCNNSNEGSA-N 2 0 489.690 1.866 20 0 JDADRP CC[N@@H+]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@]2(O)CC[NH+](C)C2)C[C@@H]1C ZINC001502317868 1070123464 /nfs/dbraw/zinc/12/34/64/1070123464.db2.gz PNCSRYQXPSQKQB-GAJHUEQPSA-N 2 0 476.025 1.459 20 0 JDADRP CC[N@@H+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[NH+]2CCCC(C)(C)C2)C[C@@H]1C ZINC001502318814 1070129862 /nfs/dbraw/zinc/12/98/62/1070129862.db2.gz GTTFPAILVGSBAU-ZWKOTPCHSA-N 2 0 455.673 1.541 20 0 JDADRP CC[N@@H+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[NH+]2CCCC(C)(C)C2)C[C@H]1C ZINC001502318812 1070130572 /nfs/dbraw/zinc/13/05/72/1070130572.db2.gz GTTFPAILVGSBAU-QZTJIDSGSA-N 2 0 455.673 1.541 20 0 JDADRP CC[N@@H+]1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@]2(O)CC[NH+](C)C2)C[C@H]1C ZINC001502326521 1070146316 /nfs/dbraw/zinc/14/63/16/1070146316.db2.gz YATYUNDDOVLYDU-UMEGOILYSA-N 2 0 491.681 1.990 20 0 JDADRP CC[N@@H+]1CCN(c2nnc(CNC(=O)c3cccs3)n2CC[NH+]2CCSCC2)C[C@@H]1C ZINC001502329967 1070164155 /nfs/dbraw/zinc/16/41/55/1070164155.db2.gz LXUYUVCSPCVOIB-KRWDZBQOSA-N 2 0 463.677 1.849 20 0 JDADRP CC[NH+]1CCN([C@@H]2CCN(c3nnc(C(=O)NC(C)C)n3CC[NH+]3CCC(C)CC3)C2)CC1 ZINC001502332240 1070169965 /nfs/dbraw/zinc/16/99/65/1070169965.db2.gz GQWOKQJUAWOCSY-OAQYLSRUSA-N 2 0 460.671 1.364 20 0 JDADRP CC[NH+]1CCN([C@H]2CCN(c3nnc(C(=O)NC(C)C)n3C[C@H](C)C[NH+]3CCCC3)C2)CC1 ZINC001502332266 1070170051 /nfs/dbraw/zinc/17/00/51/1070170051.db2.gz HATGOYLCOKWXRT-RTWAWAEBSA-N 2 0 460.671 1.364 20 0 JDADRP CC[NH+]1CCN([C@@H]2CCN(c3nnc(C(=O)NC(C)C)n3C[C@H](C)C[NH+]3CCCC3)C2)CC1 ZINC001502332265 1070170313 /nfs/dbraw/zinc/17/03/13/1070170313.db2.gz HATGOYLCOKWXRT-NHCUHLMSSA-N 2 0 460.671 1.364 20 0 JDADRP CCN1CC[NH+](C[C@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC[NH+](CC(C)C)CC2)CC1 ZINC001502343956 1070248279 /nfs/dbraw/zinc/24/82/79/1070248279.db2.gz WZLKQUKGRZHDHY-SFTDATJTSA-N 2 0 460.671 1.281 20 0 JDADRP CC[NH+]1CCN(CCCn2c(C(C)C)nnc2N2C[C@H]([N@@H+]3CCCN(C(C)=O)CC3)[C@@H](C)C2)CC1 ZINC001502352681 1070275179 /nfs/dbraw/zinc/27/51/79/1070275179.db2.gz KYWKKSUHVMYXSH-UPVQGACJSA-N 2 0 488.725 1.808 20 0 JDADRP CC[NH+]1CCN(CCCn2c(C(=O)Nc3ccccn3)nnc2N2CCC[N@@H+](C(C)C)CC2)CC1 ZINC001502352639 1070275369 /nfs/dbraw/zinc/27/53/69/1070275369.db2.gz JSIUHYRLKLFLBT-UHFFFAOYSA-N 2 0 483.665 1.874 20 0 JDADRP CC[NH+]1CCN(CCCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)CC1 ZINC001502355533 1070287237 /nfs/dbraw/zinc/28/72/37/1070287237.db2.gz ZHHGHMUJHZKXBZ-HXUWFJFHSA-N 2 0 498.742 1.227 20 0 JDADRP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C3CCOCC3)C[C@@H]2C)n1CC[N@@H+]1CCC[C@@H](C)C1 ZINC001493796716 1070348740 /nfs/dbraw/zinc/34/87/40/1070348740.db2.gz MGSDMKUZQHNOSN-AABGKKOBSA-N 2 0 497.710 1.310 20 0 JDADRP CC(C)[NH2+]C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](C)[NH+]2CCC(C)CC2)CC1 ZINC001493861290 1070364023 /nfs/dbraw/zinc/36/40/23/1070364023.db2.gz FHKLWQHHOBCUHT-RTBURBONSA-N 2 0 469.700 1.976 20 0 JDADRP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](CC3CC3)CC2)n1CC(C)(C)[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001494097423 1070392142 /nfs/dbraw/zinc/39/21/42/1070392142.db2.gz UHZHTLRXCASMNE-OTWHNJEPSA-N 2 0 497.710 1.308 20 0 JDADRP C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+](C3CCC3)C[C@H](C)C2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001494189968 1070462355 /nfs/dbraw/zinc/46/23/55/1070462355.db2.gz GDOGLMMKOWQHPE-SVMVAKDDSA-N 2 0 499.751 1.636 20 0 JDADRP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)n1CC[NH+]1CCSCC1 ZINC001494201250 1070488169 /nfs/dbraw/zinc/48/81/69/1070488169.db2.gz OAKXRQADILVEAE-MSOLQXFVSA-N 2 0 485.724 1.248 20 0 JDADRP C[C@H]1C[NH+](CCCn2c(C(=O)N3CCCC3)nnc2N2CC[NH+](C(C)(C)C)CC2)C[C@H](C)O1 ZINC001494518652 1070610320 /nfs/dbraw/zinc/61/03/20/1070610320.db2.gz KGLUCZKFXYIKRM-PMACEKPBSA-N 2 0 461.655 1.934 20 0 JDADRP C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H]([NH+]3CCCC3)C2)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001494519264 1070611286 /nfs/dbraw/zinc/61/12/86/1070611286.db2.gz OATFKJAPASXLKJ-QHAWAJNXSA-N 2 0 497.710 1.454 20 0 JDADRP CCO[C@]1(c2nnc(N3CC[C@H](C[NH+](CC)CC)C3)n2C[C@]2(O)CC[N@H+](C)C2)CCOC1 ZINC001502680743 1070769580 /nfs/dbraw/zinc/76/95/80/1070769580.db2.gz WQNFTURCLKGJMN-WTIAFYNJSA-N 2 0 450.628 1.165 20 0 JDADRP CCO[C@]1(c2nnc(N3CCC([NH2+]C(C)C)CC3)n2CC[NH+]2CCSCC2)CCOC1 ZINC001502683652 1070783162 /nfs/dbraw/zinc/78/31/62/1070783162.db2.gz UQYMJOLOVJYVOI-JOCHJYFZSA-N 2 0 452.669 1.946 20 0 JDADRP CCO[C@]1(c2nnc(N3CC[NH+](C(C)C)CC3)n2CCC[NH+]2CCC(O)CC2)CCOC1 ZINC001502714678 1070822572 /nfs/dbraw/zinc/82/25/72/1070822572.db2.gz PBZSPJYPTSFCEP-HSZRJFAPSA-N 2 0 450.628 1.307 20 0 JDADRP CCO[C@]1(c2nnc(N3CC[NH+](C(C)(C)C)CC3)n2C[C@@H]2CCC[N@@H+]2CCCO)CCOC1 ZINC001502715602 1070823766 /nfs/dbraw/zinc/82/37/66/1070823766.db2.gz WRQZQTQXRIZPLD-GBXCKJPGSA-N 2 0 464.655 1.698 20 0 JDADRP CCO[C@]1(c2nnc(N3CC[NH+](C(C)(C)C)CC3)n2C[C@H]2CCC[N@@H+]2CCCO)CCOC1 ZINC001502715603 1070823821 /nfs/dbraw/zinc/82/38/21/1070823821.db2.gz WRQZQTQXRIZPLD-HYBUGGRVSA-N 2 0 464.655 1.698 20 0 JDADRP CC[C@H](C)[N@H+](C)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001496116475 1070831100 /nfs/dbraw/zinc/83/11/00/1070831100.db2.gz ODYDBTPHHBZJPQ-FHWLQOOXSA-N 2 0 455.673 1.683 20 0 JDADRP CCO[C@]1(c2nnc(N3CC[NH+](CCOC)[C@@H](C)C3)n2C[C@@H]2CCCC[N@@H+]2CC)CCOC1 ZINC001502726629 1070837587 /nfs/dbraw/zinc/83/75/87/1070837587.db2.gz YVFMSCAYCROQJH-AWRGLXIESA-N 2 0 464.655 1.962 20 0 JDADRP CCO[C@]1(c2nnc(N3CC[NH+](CCOC)[C@@H](C)C3)n2C[C@H]2CCCC[N@@H+]2CC)CCOC1 ZINC001502726631 1070837824 /nfs/dbraw/zinc/83/78/24/1070837824.db2.gz YVFMSCAYCROQJH-YZUZCNPQSA-N 2 0 464.655 1.962 20 0 JDADRP COc1ccc(-c2nnc(N3CCN4CCOC[C@H]4C3)n2CCOCC[NH+](C)C)c(OC)c1 ZINC001504200128 1070878764 /nfs/dbraw/zinc/87/87/64/1070878764.db2.gz OEINGIYYBDZGST-GOSISDBHSA-N 2 0 460.579 1.061 20 0 JDADRP CCOCc1nnc(N2C[C@H](C)[C@H]([N@@H+]3CCCN(C(C)=O)CC3)C2)n1CC[NH+]1CCC[C@@H]1C ZINC001503029480 1070979719 /nfs/dbraw/zinc/97/97/19/1070979719.db2.gz AEGJRGSXLUFLHZ-JAXLGGSGSA-N 2 0 461.655 1.678 20 0 JDADRP CCOCc1nnc(N2CCC(C(=O)OC)CC2)n1CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001503044552 1071006764 /nfs/dbraw/zinc/00/67/64/1071006764.db2.gz WZNYXEDRUXCZKI-UHFFFAOYSA-N 2 0 471.606 1.811 20 0 JDADRP CCOCc1nnc(N2CC[C@@H](N3CC[NH+](CC)CC3)C2)n1C[C@H]1C[N@H+](CC(C)C)CCO1 ZINC001503060908 1071017041 /nfs/dbraw/zinc/01/70/41/1071017041.db2.gz LAXKFJPLAWJZQQ-FGZHOGPDSA-N 2 0 463.671 1.388 20 0 JDADRP CCOCc1nnc(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)n1C[C@@H](c1ccco1)[NH+](C)C ZINC001503098198 1071042572 /nfs/dbraw/zinc/04/25/72/1071042572.db2.gz LQIYAPSQVYCONE-MOPGFXCFSA-N 2 0 459.595 1.453 20 0 JDADRP CCOCc1nnc(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001503099220 1071045457 /nfs/dbraw/zinc/04/54/57/1071045457.db2.gz QIDXUFQGWASAPN-RTWAWAEBSA-N 2 0 461.655 1.679 20 0 JDADRP CCOCc1nnc(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001503099223 1071045494 /nfs/dbraw/zinc/04/54/94/1071045494.db2.gz QIDXUFQGWASAPN-SFTDATJTSA-N 2 0 461.655 1.679 20 0 JDADRP CCOCc1nnc(N2CCC[C@H](C[NH+]3CCOCC3)C2)n1C[C@@]1([NH+](C)C)CCSC1 ZINC001503099979 1071048207 /nfs/dbraw/zinc/04/82/07/1071048207.db2.gz WRQZGUSQKVZORS-KNQAVFIVSA-N 2 0 452.669 1.801 20 0 JDADRP CCOCc1nnc(N2CC[NH+](C3CCOCC3)CC2)n1CCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001503110387 1071065380 /nfs/dbraw/zinc/06/53/80/1071065380.db2.gz VUFOQSQEBVAGFA-PMACEKPBSA-N 2 0 450.628 1.615 20 0 JDADRP CCOCC[N@@H+]1CCN(c2nnc(C(=O)N3CCCC3)n2CC[NH+]2CCCCC2)C[C@H]1CC ZINC001503215780 1071165222 /nfs/dbraw/zinc/16/52/22/1071165222.db2.gz JMZKYVOWGSTSEU-OAQYLSRUSA-N 2 0 461.655 1.937 20 0 JDADRP CCOCC[N@@H+]1CCN(c2nnc([C@@H]3CCOC3)n2CC2(O)CC[NH+](C(C)C)CC2)C[C@@H]1CC ZINC001503224509 1071193168 /nfs/dbraw/zinc/19/31/68/1071193168.db2.gz UHMSNTKGERSHSS-YADHBBJMSA-N 2 0 478.682 1.954 20 0 JDADRP COC1CC[NH+](C(C)(C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)CC1 ZINC001504489019 1071262887 /nfs/dbraw/zinc/26/28/87/1071262887.db2.gz DQSHKEZVOKDCEH-FHWLQOOXSA-N 2 0 497.710 1.451 20 0 JDADRP COC1CC[NH+](C(C)(C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[N@@H+]3CCCC[C@H]3C2)CC1 ZINC001504489487 1071263577 /nfs/dbraw/zinc/26/35/77/1071263577.db2.gz ICWBTYMNBMQBNV-MOPGFXCFSA-N 2 0 497.710 1.452 20 0 JDADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001503357964 1071561826 /nfs/dbraw/zinc/56/18/26/1071561826.db2.gz CEGAMOLHAIRYSG-RTBURBONSA-N 2 0 474.654 1.092 20 0 JDADRP C[NH+](C)[C@@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1)C1CC1 ZINC001503383135 1071638973 /nfs/dbraw/zinc/63/89/73/1071638973.db2.gz QMSGGPDHIWEWHB-VQTJNVASSA-N 2 0 497.710 1.262 20 0 JDADRP C[NH+](C)[C@@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1)C1CC1 ZINC001503383132 1071639054 /nfs/dbraw/zinc/63/90/54/1071639054.db2.gz QMSGGPDHIWEWHB-PMACEKPBSA-N 2 0 497.710 1.262 20 0 JDADRP C[NH+](C)CC(C)(C)Cn1c(Cc2ccccn2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001503398206 1071657418 /nfs/dbraw/zinc/65/74/18/1071657418.db2.gz IDVFWXHCZHAPTP-NRFANRHFSA-N 2 0 468.650 1.595 20 0 JDADRP C[NH+](C)CCOCCn1c(-c2ccccc2F)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001503402327 1071666894 /nfs/dbraw/zinc/66/68/94/1071666894.db2.gz AUEKKNVTJPDIIQ-UHFFFAOYSA-N 2 0 473.597 1.407 20 0 JDADRP COCC[N@H+](C)CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[NH+](C(C)(C)C)CC1 ZINC001504850689 1071749207 /nfs/dbraw/zinc/74/92/07/1071749207.db2.gz KSRPMKWCFVTRRL-IBGZPJMESA-N 2 0 470.684 1.459 20 0 JDADRP COCC[N@H+](C)CCCn1c(-c2ccccc2)nnc1N1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001504852170 1071753238 /nfs/dbraw/zinc/75/32/38/1071753238.db2.gz SLMUFVOFZAFNON-JOCHJYFZSA-N 2 0 469.634 1.656 20 0 JDADRP COCC[N@H+](C)CCn1c(-c2cnn(C)c2)nnc1N1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC001504855970 1071768730 /nfs/dbraw/zinc/76/87/30/1071768730.db2.gz PNWMQJXLDFYHAB-UHFFFAOYSA-N 2 0 473.670 1.252 20 0 JDADRP COCC[N@H+](C)CCn1c(-c2ccccn2)nnc1N1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC001504855982 1071768540 /nfs/dbraw/zinc/76/85/40/1071768540.db2.gz QEZBWBPWNVLQGU-UHFFFAOYSA-N 2 0 470.666 1.913 20 0 JDADRP COCC[N@@H+]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@H](C)[NH+](C)C)C[C@@H]1C ZINC001504904725 1071844965 /nfs/dbraw/zinc/84/49/65/1071844965.db2.gz QAQDSVLTADWQGZ-ROUUACIJSA-N 2 0 478.041 1.969 20 0 JDADRP COCC[N@@H+]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@]2([NH+](C)C)CCSC2)C[C@@H]1C ZINC001504906491 1071850564 /nfs/dbraw/zinc/85/05/64/1071850564.db2.gz YWEHQNSTKCFRJQ-LAUBAEHRSA-N 2 0 453.657 1.011 20 0 JDADRP COCC[N@@H+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[NH+]2CCCC(C)(C)C2)C[C@H]1C ZINC001504909509 1071861410 /nfs/dbraw/zinc/86/14/10/1071861410.db2.gz ZUYYZFSSHRCQGP-MOPGFXCFSA-N 2 0 485.699 1.167 20 0 JDADRP COCC[N@@H+]1CCN(c2nnc(-c3cnccn3)n2C[C@H](C(C)C)[NH+]2CCOCC2)C[C@@H]1C ZINC001504917728 1071883694 /nfs/dbraw/zinc/88/36/94/1071883694.db2.gz WLKIAQKLIKNSGW-PZJWPPBQSA-N 2 0 458.611 1.249 20 0 JDADRP COCC[N@@H+]1CCN(c2nnc(-c3ccccn3)n2CCC[NH+]2CCC[C@H]2C(=O)N(C)C)C[C@H]1C ZINC001504916003 1071879127 /nfs/dbraw/zinc/87/91/27/1071879127.db2.gz PKLQLGGDKCDPNG-IRLDBZIGSA-N 2 0 484.649 1.440 20 0 JDADRP COCC[N@@H+]1CCN(c2nnc(-c3ccccn3)n2CCC[NH+]2CCC[C@H]2C(=O)N(C)C)C[C@@H]1C ZINC001504916006 1071879353 /nfs/dbraw/zinc/87/93/53/1071879353.db2.gz PKLQLGGDKCDPNG-UNMCSNQZSA-N 2 0 484.649 1.440 20 0 JDADRP COCC[N@@H+]1CCN(c2nnc(CN3CCCC3=O)n2CCC[NH+]2CCC(C)CC2)C[C@@H]1C ZINC001504923871 1071904958 /nfs/dbraw/zinc/90/49/58/1071904958.db2.gz KNIODYGHGBBSSH-NRFANRHFSA-N 2 0 461.655 1.679 20 0 JDADRP COCCO[C@H](C)c1nnc(N2C[C@H]3CCC[N@@H+]3C[C@H]2C)n1CCC[NH+]1CCC(O)CC1 ZINC001504949652 1071993934 /nfs/dbraw/zinc/99/39/34/1071993934.db2.gz IPBXKVLBDUTQIZ-VAMGGRTRSA-N 2 0 450.628 1.522 20 0 JDADRP COCCO[C@H](C)c1nnc(N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)n1CC1([NH+](C)C)CCOCC1 ZINC001504949674 1071994380 /nfs/dbraw/zinc/99/43/80/1071994380.db2.gz IUHLDBIAWPXHQU-AQNXPRMDSA-N 2 0 450.628 1.786 20 0 JDADRP COCCO[C@H](C)c1nnc(N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)n1CCC[NH+]1CCC(O)CC1 ZINC001504949656 1071994500 /nfs/dbraw/zinc/99/45/00/1071994500.db2.gz IPBXKVLBDUTQIZ-ZCNNSNEGSA-N 2 0 450.628 1.522 20 0 JDADRP COCCO[C@H](C)c1nnc(N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)n1CC1([NH+](C)C)CCOCC1 ZINC001504949678 1071994684 /nfs/dbraw/zinc/99/46/84/1071994684.db2.gz IUHLDBIAWPXHQU-XUVXKRRUSA-N 2 0 450.628 1.786 20 0 JDADRP COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[NH+](CC(C)C)CC2)n1CC[NH+]1CCSCC1 ZINC001505080848 1072206190 /nfs/dbraw/zinc/20/61/90/1072206190.db2.gz SBGYURZGSGVGSB-PMACEKPBSA-N 2 0 452.669 1.829 20 0 JDADRP CO[C@H]1CCN(c2nnc(C(=O)NC(C)C)n2CCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC001505107005 1072243107 /nfs/dbraw/zinc/24/31/07/1072243107.db2.gz DLEQSEVYRINYEU-FQEVSTJZSA-N 2 0 456.595 1.249 20 0 JDADRP C[NH+](C)CCNC(=O)c1cccc(CNC(=O)c2ccc3[nH]c(=O)n(CC[NH+](C)C)c3c2)c1 ZINC001464787279 1067657498 /nfs/dbraw/zinc/65/74/98/1067657498.db2.gz IQQXCSRHPUJWAK-UHFFFAOYSA-N 2 0 452.559 1.525 20 0 JDADRP COc1ccc(S(=O)(=O)NC2CC2)cc1NC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC001464981872 1067719443 /nfs/dbraw/zinc/71/94/43/1067719443.db2.gz VRKOXUNZVWUXHU-HZPDHXFCSA-N 2 0 453.609 1.339 20 0 JDADRP CC[N@@H+]1CCC[C@H]1CN1C[C@@H](C(=O)Nc2ccc(OCCN3CC[NH+](C)CC3)cc2)CC1=O ZINC001465471916 1067803237 /nfs/dbraw/zinc/80/32/37/1067803237.db2.gz DCEHZVULBFIWKE-UNMCSNQZSA-N 2 0 457.619 1.584 20 0 JDADRP CC[N@@H+]1CCC[C@@H]1CN1C[C@@H](C(=O)Nc2ccc(OCCN3CC[NH+](C)CC3)cc2)CC1=O ZINC001465471915 1067803294 /nfs/dbraw/zinc/80/32/94/1067803294.db2.gz DCEHZVULBFIWKE-RBBKRZOGSA-N 2 0 457.619 1.584 20 0 JDADRP COc1cc(NC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)ccc1S(=O)(=O)N1CCCC1 ZINC001465660295 1067817040 /nfs/dbraw/zinc/81/70/40/1067817040.db2.gz WIQKKLIPVDDDCE-QZTJIDSGSA-N 2 0 467.636 1.683 20 0 JDADRP C[NH+](C)CCn1c(=O)[nH]c2ccc(C(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3CO)cc21 ZINC001466130951 1067862874 /nfs/dbraw/zinc/86/28/74/1067862874.db2.gz CMWRPLYCFZWSOZ-NHCUHLMSSA-N 2 0 451.571 1.916 20 0 JDADRP CC[NH+]1CCN(Cc2ccc(CNC(=O)N3CCC(C[NH+]4CCN(C)CC4)CC3)cc2)CC1 ZINC001467602502 1068035650 /nfs/dbraw/zinc/03/56/50/1068035650.db2.gz BAQAQYUZSBNQNM-UHFFFAOYSA-N 2 0 456.679 1.993 20 0 JDADRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)CC1 ZINC001467604746 1068036363 /nfs/dbraw/zinc/03/63/63/1068036363.db2.gz ZIJFPESVEUUAKZ-WIOPSUGQSA-N 2 0 456.679 1.992 20 0 JDADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)NCCN1Cc2ccccc2OCC1=O ZINC001468363968 1068257038 /nfs/dbraw/zinc/25/70/38/1068257038.db2.gz VADYOCRTGUPKIZ-UHFFFAOYSA-N 2 0 452.559 1.314 20 0 JDADRP C[NH+]1CCN(c2ncccc2CNC(=O)NCc2ccccc2C[NH+]2CCC(O)CC2)CC1 ZINC001468381944 1068263667 /nfs/dbraw/zinc/26/36/67/1068263667.db2.gz KRMQSNGAJYFSHV-UHFFFAOYSA-N 2 0 452.603 1.790 20 0 JDADRP C[N@@H+]1CCC[C@@H]1C(=O)N1CCN(C(=O)NCCc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC001469579648 1068552042 /nfs/dbraw/zinc/55/20/42/1068552042.db2.gz NIHICLFGSKJHDI-HSZRJFAPSA-N 2 0 457.619 1.652 20 0 JDADRP C[C@@H](CNC(=O)NCC1([NH+]2CCN(c3ccccc3)CC2)CCOCC1)N1CC[NH+](C)CC1 ZINC001470175469 1068714445 /nfs/dbraw/zinc/71/44/45/1068714445.db2.gz MFRXTRWBIWTTIG-QFIPXVFZSA-N 2 0 458.651 1.293 20 0 JDADRP C[N@@H+]1CCC[C@@H](N2CCN(C(=O)NCc3ccc(C[NH+]4CCC(C(N)=O)CC4)cc3)CC2)C1 ZINC001470519203 1068775250 /nfs/dbraw/zinc/77/52/50/1068775250.db2.gz ZRBUXILINRSCMX-HSZRJFAPSA-N 2 0 456.635 1.305 20 0 JDADRP CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@H]2C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)cc1 ZINC001471107090 1068835832 /nfs/dbraw/zinc/83/58/32/1068835832.db2.gz ADZIDJYYKDKMDT-XPNTWCBSSA-N 2 0 478.659 1.630 20 0 JDADRP C[NH+](C)C[C@@H]1CN(C(=O)CCNS(=O)(=O)c2ccc(OC(F)(F)F)cc2)C[C@H]1C[NH+](C)C ZINC001471107092 1068835982 /nfs/dbraw/zinc/83/59/82/1068835982.db2.gz ANCOAWSTBVIFQM-HZPDHXFCSA-N 2 0 480.553 1.451 20 0 JDADRP CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@H]1CCC[NH+](CCN2CCOCC2)C1 ZINC001471183142 1068841205 /nfs/dbraw/zinc/84/12/05/1068841205.db2.gz XLEUXXUWCGSWGF-UKILVPOCSA-N 2 0 459.635 1.061 20 0 JDADRP CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1CCC[NH+](CCN2CCOCC2)C1 ZINC001471183141 1068841254 /nfs/dbraw/zinc/84/12/54/1068841254.db2.gz XLEUXXUWCGSWGF-NOZRDPDXSA-N 2 0 459.635 1.061 20 0 JDADRP CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@H]1CCC[NH+](CCN2CCOCC2)C1 ZINC001471183143 1068841325 /nfs/dbraw/zinc/84/13/25/1068841325.db2.gz XLEUXXUWCGSWGF-ZCYQVOJMSA-N 2 0 459.635 1.061 20 0 JDADRP CC[C@H]1CCCC[N@@H+]1CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001499462663 1069003991 /nfs/dbraw/zinc/00/39/91/1069003991.db2.gz IAILEIOZHWYJDI-UXHICEINSA-N 2 0 469.700 1.931 20 0 JDADRP CC[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCC[NH+]2CCCO[C@@H](C)C2)CC[N@@H+]1CCOC ZINC001499639714 1069021218 /nfs/dbraw/zinc/02/12/18/1069021218.db2.gz PYENPJNVHNCLBU-VXKWHMMOSA-N 2 0 491.681 1.562 20 0 JDADRP CC[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCC[NH+]2CCCO[C@H](C)C2)CC[N@@H+]1CCOC ZINC001499639716 1069021511 /nfs/dbraw/zinc/02/15/11/1069021511.db2.gz PYENPJNVHNCLBU-YADHBBJMSA-N 2 0 491.681 1.562 20 0 JDADRP CC[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2CC2(O)CC[NH+](C(C)C)CC2)CC[N@@H+]1CCOC ZINC001499642394 1069023816 /nfs/dbraw/zinc/02/38/16/1069023816.db2.gz LXOVXIYNJBWGIW-HXUWFJFHSA-N 2 0 479.670 1.199 20 0 JDADRP CC[C@H]1CN(c2nnc(-c3cnccn3)n2C[C@]2([NH+](C)C)CCSC2)CC[N@@H+]1CCOC ZINC001499719351 1069049803 /nfs/dbraw/zinc/04/98/03/1069049803.db2.gz HRYJANMLTDHTFA-PGRDOPGGSA-N 2 0 460.652 1.719 20 0 JDADRP CC[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@@H](C)C2)CC[N@@H+]1CCOC ZINC001499721112 1069050613 /nfs/dbraw/zinc/05/06/13/1069050613.db2.gz BOMDJSXSDMWDSF-PLACYPQZSA-N 2 0 491.681 1.664 20 0 JDADRP CCN(C(=O)C[NH+]1CCC(CC[NH+](C)C)CC1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC001473120735 1069074691 /nfs/dbraw/zinc/07/46/91/1069074691.db2.gz QHIJHFPWXCTTOB-UHFFFAOYSA-N 2 0 456.591 1.596 20 0 JDADRP CC[C@@H]1CN(c2nnc(COc3ccccc3F)n2C[C@@]2(O)CC[NH+](C)C2)CC[N@@H+]1CCOC ZINC001499786837 1069086744 /nfs/dbraw/zinc/08/67/44/1069086744.db2.gz XLVKZOFBYMTQBI-NTKDMRAZSA-N 2 0 476.597 1.610 20 0 JDADRP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](CC(=O)NCCc2ccc(S(N)(=O)=O)cc2)CC1 ZINC001473221432 1069098192 /nfs/dbraw/zinc/09/81/92/1069098192.db2.gz FTZMOBOJLLKIGQ-IBGZPJMESA-N 2 0 450.649 1.969 20 0 JDADRP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]CC(=O)N2CCN(c3cnccn3)CC2)CC1 ZINC001473340628 1069125830 /nfs/dbraw/zinc/12/58/30/1069125830.db2.gz JMBQYAODABFSHO-IBGZPJMESA-N 2 0 455.582 1.757 20 0 JDADRP C[N@@H+](CCC(=O)Nc1cccc(S(N)(=O)=O)c1)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC001473462861 1069156827 /nfs/dbraw/zinc/15/68/27/1069156827.db2.gz OCOFPNYEYYQLHM-UHFFFAOYSA-N 2 0 459.616 1.412 20 0 JDADRP C[NH+]1CCC2(CC1)C[N@H+](CCC(=O)Nc1ccc(S(=O)(=O)N3CCCC3)cc1)CCO2 ZINC001473579975 1069186317 /nfs/dbraw/zinc/18/63/17/1069186317.db2.gz IZRSCWXCSPIZEA-UHFFFAOYSA-N 2 0 450.605 1.596 20 0 JDADRP CCC[C@H]1CN(c2nnc(-c3cnn(C)c3)n2CC2([NH+](C)C)CCOCC2)CC[N@@H+]1CCOC ZINC001500260479 1069223647 /nfs/dbraw/zinc/22/36/47/1069223647.db2.gz YLASPIADNMFDFJ-NRFANRHFSA-N 2 0 474.654 1.727 20 0 JDADRP COc1cc(CNc2cc(N3CC[NH+](C)CC3)cc[nH+]2)ccc1OCC(=O)N1CCOCC1 ZINC001474233230 1069241389 /nfs/dbraw/zinc/24/13/89/1069241389.db2.gz UCKJDQKSNXXAIX-UHFFFAOYSA-N 2 0 455.559 1.692 20 0 JDADRP CCCC[N@H+](C)CCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001500419945 1069250893 /nfs/dbraw/zinc/25/08/93/1069250893.db2.gz MZAGWXTZUROQJT-QFIPXVFZSA-N 2 0 468.650 1.739 20 0 JDADRP CCC[N@H+](C)C[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C)N2CC[NH+](CC)CC2)C1 ZINC001500703214 1069299105 /nfs/dbraw/zinc/29/91/05/1069299105.db2.gz OEEJRSJFVDNKND-VXKWHMMOSA-N 2 0 474.698 1.708 20 0 JDADRP CCC[N@H+](C)C[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC[NH+]2CCCO[C@@H](C)C2)C1 ZINC001500720134 1069303111 /nfs/dbraw/zinc/30/31/11/1069303111.db2.gz CQPAJCLTJGRZLS-FDFHNCONSA-N 2 0 496.722 1.849 20 0 JDADRP CCC[N@H+](C)C[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](C2CC2)[NH+](C)C)C1 ZINC001500721608 1069304933 /nfs/dbraw/zinc/30/49/33/1069304933.db2.gz ZXKAUWYTJCQVQQ-SXLOBPIMSA-N 2 0 452.669 1.689 20 0 JDADRP CC(=O)N1CCC[NH+]([C@@H]2CN(c3nnc(Cc4cccnc4)n3CC[N@@H+](C)C(C)C)C[C@@H]2C)CC1 ZINC001508229684 1072993158 /nfs/dbraw/zinc/99/31/58/1072993158.db2.gz CEOIEEMYCWXZGW-XUZZJYLKSA-N 2 0 482.677 1.983 20 0 JDADRP CC(C)(C)c1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1CCC[NH+]1CCC(O)CC1 ZINC001508513900 1073269869 /nfs/dbraw/zinc/26/98/69/1073269869.db2.gz CEAKWIMRZKKJIZ-UHFFFAOYSA-N 2 0 461.655 1.167 20 0 JDADRP CC(C)(C)[N@@H+]1CCCN(c2nnc(CN3CCCC3=O)n2CCC[NH+]2CCC(O)CC2)CC1 ZINC001508618266 1073287080 /nfs/dbraw/zinc/28/70/80/1073287080.db2.gz CVWMWCMDLQVHQQ-UHFFFAOYSA-N 2 0 461.655 1.558 20 0 JDADRP CC(C)C[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](C[NH+]2CCOCC2)C1)[NH+](C)C ZINC001509117101 1073506223 /nfs/dbraw/zinc/50/62/23/1073506223.db2.gz ALTIAVMVVSUYIC-HBMCJLEFSA-N 2 0 461.655 1.754 20 0 JDADRP CC(C)C[C@@H](Cn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)[NH+](C)C ZINC001509116560 1073506265 /nfs/dbraw/zinc/50/62/65/1073506265.db2.gz CRONZMXKRZOGOE-PWRODBHTSA-N 2 0 461.655 1.849 20 0 JDADRP CC(C)C[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](C[NH+]2CCOCC2)C1)[NH+](C)C ZINC001509117105 1073507033 /nfs/dbraw/zinc/50/70/33/1073507033.db2.gz ALTIAVMVVSUYIC-PCCBWWKXSA-N 2 0 461.655 1.754 20 0 JDADRP CC(C)Cc1nnc(N2CCN(CC[NH+](C)Cc3ccccc3)CC2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001509254350 1073547312 /nfs/dbraw/zinc/54/73/12/1073547312.db2.gz KFWYCLVTNJCHFQ-SANMLTNESA-N 2 0 469.678 1.797 20 0 JDADRP CC(C)C[N@@H+]1CCC[C@H](Cn2c(C(=O)NC(C)C)nnc2N2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC001509410114 1073589295 /nfs/dbraw/zinc/58/92/95/1073589295.db2.gz ZUBMGXLQWPOFFF-FCHUYYIVSA-N 2 0 475.682 1.943 20 0 JDADRP CC(C)C[N@@H+]1CCO[C@@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[NH+](C(C)(C)C)CC2)C1 ZINC001509431953 1073609762 /nfs/dbraw/zinc/60/97/62/1073609762.db2.gz GBWJNSNIKGOBPP-WOJBJXKFSA-N 2 0 499.726 1.556 20 0 JDADRP CC(C)C[N@@H+]1CCO[C@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[NH+](C(C)(C)C)CC2)C1 ZINC001509431948 1073609863 /nfs/dbraw/zinc/60/98/63/1073609863.db2.gz GBWJNSNIKGOBPP-UXHICEINSA-N 2 0 499.726 1.556 20 0 JDADRP CC(C)C[N@@H+]1CCO[C@H](Cn2c(C(C)C)nnc2N2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)C1 ZINC001509436628 1073618045 /nfs/dbraw/zinc/61/80/45/1073618045.db2.gz SKNHOQUEICOFRP-LEWJYISDSA-N 2 0 461.655 1.501 20 0 JDADRP CC(C)[N@H+](C)CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC001509517331 1073660083 /nfs/dbraw/zinc/66/00/83/1073660083.db2.gz CIJMDVCESXKCFV-RTWAWAEBSA-N 2 0 482.695 1.459 20 0 JDADRP CC(C)[N@H+](C)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC001509519118 1073662984 /nfs/dbraw/zinc/66/29/84/1073662984.db2.gz RLAWHZAXXAABGF-UHFFFAOYSA-N 2 0 474.698 1.849 20 0 JDADRP CC(C)[N@H+](C)CCn1c(CN2CCCC2=O)nnc1N1CCC[NH+](Cc2cnn(C)c2)CC1 ZINC001509526800 1073667556 /nfs/dbraw/zinc/66/75/56/1073667556.db2.gz YKKAVWSCSSYSDD-UHFFFAOYSA-N 2 0 457.627 1.187 20 0 JDADRP CC(C)[N@H+](C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001509527538 1073668401 /nfs/dbraw/zinc/66/84/01/1073668401.db2.gz LIPALWWQOCDKQN-YPAWHYETSA-N 2 0 495.738 1.515 20 0 JDADRP CC(C)[N@H+](C)CCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001509528196 1073669659 /nfs/dbraw/zinc/66/96/59/1073669659.db2.gz QPLXWCYNXVGDIP-OAQYLSRUSA-N 2 0 454.623 1.347 20 0 JDADRP CC(C)[N@@H+]1CCCN(c2nnc(C(=O)N3CCCC3)n2CCC[NH+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC001509566468 1073687671 /nfs/dbraw/zinc/68/76/71/1073687671.db2.gz VMARBWWODYFEAH-OAQYLSRUSA-N 2 0 488.681 1.377 20 0 JDADRP CC(C)[NH+]1CCN(c2nnc(-c3cnn(C)c3)n2CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC001509569872 1073689586 /nfs/dbraw/zinc/68/95/86/1073689586.db2.gz QDUZETOSGWBIHD-FQEVSTJZSA-N 2 0 457.627 1.152 20 0 JDADRP CC(C)[NH+]1CCN(c2nnc(C3CCN(c4ncccn4)CC3)n2CCOCC[NH+](C)C)CC1 ZINC001509569904 1073689855 /nfs/dbraw/zinc/68/98/55/1073689855.db2.gz QOSXXXHUFXRCRY-UHFFFAOYSA-N 2 0 471.654 1.561 20 0 JDADRP CC(C)[NH+]1CCN(c2nnc(-c3cccc(S(C)(=O)=O)c3)n2C[C@H]2CCC[N@@H+]2CCCO)CC1 ZINC001509571758 1073690859 /nfs/dbraw/zinc/69/08/59/1073690859.db2.gz FMNQSSAAQWDJKD-OAQYLSRUSA-N 2 0 490.674 1.726 20 0 JDADRP CC(C)NC(=O)c1nnc(N(C)C2CC[NH+](CCn3cccn3)CC2)n1CC[NH+]1CCCC1 ZINC001509585551 1073715174 /nfs/dbraw/zinc/71/51/74/1073715174.db2.gz MZRFYDAOMBPVCB-UHFFFAOYSA-N 2 0 457.627 1.309 20 0 JDADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CCCn4nnc(COCC(=O)N5CCCC5)c4C3)c2)CC1 ZINC001164633385 719259452 /nfs/dbraw/zinc/25/94/52/719259452.db2.gz CEQZRLANIUHOCN-UHFFFAOYSA-N 2 0 469.590 1.695 20 0 JDADRP Cn1nnc2c1CCN(c1nc(Cl)cc(C3CC[NH2+]CC3)n1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164718823 720175531 /nfs/dbraw/zinc/17/55/31/720175531.db2.gz SBITVNODDHMPAB-LJQANCHMSA-N 2 0 461.014 1.942 20 0 JDADRP Cn1nnc2c1CCN(c1cc(OC3CC[NH+](C)CC3)cc[nH+]1)[C@H]2COCC[NH+]1CCCC1 ZINC001164714586 720203785 /nfs/dbraw/zinc/20/37/85/720203785.db2.gz GWNDHSIHGABPEH-QFIPXVFZSA-N 3 0 455.607 1.899 20 0 JDADRP c1ncn(C[C@@H]2C[C@@H]3CN(c4ccc(OCC5CC[NH2+]CC5)nn4)CC[C@@H]3[N@H+]2CC2CC2)n1 ZINC001164748786 720854845 /nfs/dbraw/zinc/85/48/45/720854845.db2.gz MCUNRAOAVIYFOH-FSSWDIPSSA-N 2 0 452.607 1.826 20 0 JDADRP CC(=O)N1CC(=O)N(c2cccnc2)C[C@@]12CCN(c1cc(OC3CC[NH+](C)CC3)cc[nH+]1)C2 ZINC001164861343 721037115 /nfs/dbraw/zinc/03/71/15/721037115.db2.gz GUBKIFOPXQMPJH-VWLOTQADSA-N 2 0 464.570 1.794 20 0 JDADRP CNC(=O)[C@]12CN(c3cc(OC4CC[NH+](C)CC4)cc[nH+]3)C[C@H]1N(c1ncccn1)CCC2 ZINC001164870157 721207570 /nfs/dbraw/zinc/20/75/70/721207570.db2.gz UBORODHCIKOAOG-HYBUGGRVSA-N 2 0 451.575 1.566 20 0 JDADRP O=S1(=O)Cc2cn(-c3ccc(C[NH+]4CCCC4)cn3)c(=NCC3CC3)nc2[C@@H]2C[NH2+]C[C@H]21 ZINC001164793649 721475476 /nfs/dbraw/zinc/47/54/76/721475476.db2.gz XFBOFLJJULPUCN-WOJBJXKFSA-N 2 0 454.600 1.158 20 0 JDADRP C[N@H+](Cc1ccc(-n2cc3c(nc2=NCC2CC2)[C@@H]2C[NH2+]C[C@@H]2S(=O)(=O)C3)nc1)C1CC1 ZINC001164793528 721475644 /nfs/dbraw/zinc/47/56/44/721475644.db2.gz WXZLBNXNIYVUHE-UXHICEINSA-N 2 0 454.600 1.156 20 0 JDADRP C[N@H+](Cc1ccncc1)C1CC2(C1)CCN(c1nc(S(C)(=O)=O)nc3c1CC[NH2+]CC3)CC2 ZINC001164791171 721489675 /nfs/dbraw/zinc/48/96/75/721489675.db2.gz BTJMHYVAAILCIE-UHFFFAOYSA-N 2 0 470.643 1.844 20 0 JDADRP CC(C)N(c1ccc(N2CC[NH+](C)CC2)nn1)c1nc2c(cc1C(=O)NCC1CC1)CC[NH2+]CC2 ZINC001164998823 722220544 /nfs/dbraw/zinc/22/05/44/722220544.db2.gz LTSLHHIPMXQGHK-UHFFFAOYSA-N 2 0 478.645 1.998 20 0 JDADRP CCC[N@H+](CC)CCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001500783795 1069311043 /nfs/dbraw/zinc/31/10/43/1069311043.db2.gz AOVWTNWSCIHEJT-HXUWFJFHSA-N 2 0 457.627 1.153 20 0 JDADRP CCC[N@H+](CC)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[NH+](C(C)(C)C)CC1 ZINC001500789670 1069312827 /nfs/dbraw/zinc/31/28/27/1069312827.db2.gz FZYDZLIAVOVMET-HXUWFJFHSA-N 2 0 499.726 1.654 20 0 JDADRP CCC[N@@H+]1CC[C@H](Cn2c(C(=O)NC(C)C)nnc2N2CCC(C[NH+]3CCOCC3)CC2)C1 ZINC001500918625 1069327926 /nfs/dbraw/zinc/32/79/26/1069327926.db2.gz UZEIUUHILCJEHR-NRFANRHFSA-N 2 0 461.655 1.697 20 0 JDADRP CCC[NH+]1CCC(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[N@@H+](C(C)C)CC2)CC1 ZINC001500921333 1069330374 /nfs/dbraw/zinc/33/03/74/1069330374.db2.gz IGJIAPMPTBNSSL-IBGZPJMESA-N 2 0 469.700 1.931 20 0 JDADRP CCC[N@@H+]1CC[C@@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[NH+](CC(C)C)CC2)C1 ZINC001500921807 1069330758 /nfs/dbraw/zinc/33/07/58/1069330758.db2.gz LOERKPHFPSPMBK-RBUKOAKNSA-N 2 0 455.673 1.398 20 0 JDADRP CCC[N@@H+]1CC[C@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC([NH2+]C(C)C)CC2)C1 ZINC001500922885 1069331243 /nfs/dbraw/zinc/33/12/43/1069331243.db2.gz SAOMCBAGLPPDEQ-MSOLQXFVSA-N 2 0 455.673 1.587 20 0 JDADRP CCC[NH+]1CCC(N(C)c2nnc([C@@]3(OCC)CCOC3)n2C[C@@H](C)N2CCOCC2)CC1 ZINC001500965366 1069342280 /nfs/dbraw/zinc/34/22/80/1069342280.db2.gz ABEOMWUDFKSAMU-HYBUGGRVSA-N 2 0 464.655 1.962 20 0 JDADRP CCC[NH+]1CCC(N(C)c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC001500965486 1069342443 /nfs/dbraw/zinc/34/24/43/1069342443.db2.gz CTNYOTHDZMLUFR-RPWUZVMVSA-N 2 0 464.655 1.696 20 0 JDADRP CCC[NH+]1CCC(N(C)c2nnc([C@]3(OCC)CCOC3)n2C[C@@H](C)N2CCOCC2)CC1 ZINC001500965370 1069342492 /nfs/dbraw/zinc/34/24/92/1069342492.db2.gz ABEOMWUDFKSAMU-YKSBVNFPSA-N 2 0 464.655 1.962 20 0 JDADRP CCC[NH+]1CCC(N(C)c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC(C)(C)C[NH+](C)C)CC1 ZINC001500979217 1069344148 /nfs/dbraw/zinc/34/41/48/1069344148.db2.gz SZIROGOJYFEPGH-FQEVSTJZSA-N 2 0 499.726 1.509 20 0 JDADRP CCC[N@@H+]1CCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001501040433 1069368128 /nfs/dbraw/zinc/36/81/28/1069368128.db2.gz ITVUCUMWOZTDMU-MSOLQXFVSA-N 2 0 455.673 1.683 20 0 JDADRP COC(=O)c1ccc(Br)c(S(=O)(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c1 ZINC001475575526 1069497191 /nfs/dbraw/zinc/49/71/91/1069497191.db2.gz NMDZXLOJLXFHTA-HUUCEWRRSA-N 2 0 462.410 1.596 20 0 JDADRP CCN(CC)C(=O)CN1CCN(c2nnc(-c3cnccn3)n2CC[C@H](C)[NH+]2CCCCC2)CC1 ZINC001501783679 1069675338 /nfs/dbraw/zinc/67/53/38/1069675338.db2.gz OJNFDDXIJAGIOV-NRFANRHFSA-N 2 0 483.665 1.990 20 0 JDADRP CC[NH+](CC)[C@@H](C)Cn1c(C(=O)Nc2ccccn2)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001501794398 1069721877 /nfs/dbraw/zinc/72/18/77/1069721877.db2.gz TWYKONGCTOYGOW-IBGZPJMESA-N 2 0 470.622 1.957 20 0 JDADRP CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001501802367 1069731364 /nfs/dbraw/zinc/73/13/64/1069731364.db2.gz QNUOQBXSVZDTIQ-NJYVYQBISA-N 2 0 497.710 1.406 20 0 JDADRP CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cnn(C)c3)n2CC[C@@H](C)[NH+]2CCCCC2)CC1 ZINC001501903808 1069774608 /nfs/dbraw/zinc/77/46/08/1069774608.db2.gz JTZJJEPBCALRNT-OAQYLSRUSA-N 2 0 485.681 1.934 20 0 JDADRP CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cnn(C)c3)n2CC[C@H](C)[NH+]2CCCCC2)CC1 ZINC001501903807 1069775399 /nfs/dbraw/zinc/77/53/99/1069775399.db2.gz JTZJJEPBCALRNT-NRFANRHFSA-N 2 0 485.681 1.934 20 0 JDADRP CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccccn3)n2CC[N@@H+]2CCC[C@@H]2C)CC1 ZINC001501903980 1069778571 /nfs/dbraw/zinc/77/85/71/1069778571.db2.gz PSGNRAPPAWTCIH-FQEVSTJZSA-N 2 0 454.623 1.815 20 0 JDADRP CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@@H]3CCCOC3)n2CC(C)(C)C[NH+](C)C)CC1 ZINC001501906643 1069787743 /nfs/dbraw/zinc/78/77/43/1069787743.db2.gz KFUUAUMOFYPCBV-HXUWFJFHSA-N 2 0 463.671 1.750 20 0 JDADRP CC[NH+](CC)CC(=O)N1CCN(c2nnc(CN3CCCC3=O)n2CC[NH+]2CCC(C)CC2)CC1 ZINC001501909829 1069799026 /nfs/dbraw/zinc/79/90/26/1069799026.db2.gz HNDLYLGDQIGNFL-UHFFFAOYSA-N 2 0 488.681 1.123 20 0 JDADRP CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC[N@@H+]2CCCO[C@@H](C)C2)C1 ZINC001501934979 1069803889 /nfs/dbraw/zinc/80/38/89/1069803889.db2.gz PBIMLOIABUVBTF-FKBYEOEOSA-N 2 0 496.722 1.849 20 0 JDADRP CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC[N@@H+]2CCCO[C@@H](C)C2)C1 ZINC001501934978 1069803944 /nfs/dbraw/zinc/80/39/44/1069803944.db2.gz PBIMLOIABUVBTF-FDFHNCONSA-N 2 0 496.722 1.849 20 0 JDADRP CC[NH+](CC)CCCn1c(-c2cnccn2)nnc1N1C[C@H]([N@@H+]2CCCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001501951574 1069805914 /nfs/dbraw/zinc/80/59/14/1069805914.db2.gz BGXAOSOPNZRGHR-REWPJTCUSA-N 2 0 483.665 1.846 20 0 JDADRP CC[NH+](CC)CCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC001501955537 1069807453 /nfs/dbraw/zinc/80/74/53/1069807453.db2.gz RMLWNSSZCWSTBC-SFTDATJTSA-N 2 0 482.695 1.461 20 0 JDADRP CC[NH+](CC)CCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001501955093 1069807469 /nfs/dbraw/zinc/80/74/69/1069807469.db2.gz NSCFVJYLNULGEX-RTWAWAEBSA-N 2 0 497.710 1.408 20 0 JDADRP CN(C)C(=O)CC[NH+]1CCC(NC(=O)NCCC[N@@H+]2CCN(C)C[C@H]2c2ccccc2)CC1 ZINC001477317500 1069812245 /nfs/dbraw/zinc/81/22/45/1069812245.db2.gz UROSRANYFUDUKT-QHCPKHFHSA-N 2 0 458.651 1.607 20 0 JDADRP C[NH+]1CCN(c2ccc(CNC(=O)N[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3CO)cn2)CC1 ZINC001477413094 1069821063 /nfs/dbraw/zinc/82/10/63/1069821063.db2.gz JGQBCXLDMJLDRU-GOTSBHOMSA-N 2 0 452.603 1.516 20 0 JDADRP CC[N@H+](CCn1c(CN2CCCC2=O)nnc1N1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1)C(C)C ZINC001502203339 1069857016 /nfs/dbraw/zinc/85/70/16/1069857016.db2.gz IENNHONEOKQPMP-JOCHJYFZSA-N 2 0 474.698 1.736 20 0 JDADRP CC[NH+]1CCC(N2CCCN(C(=O)NCc3cccc(C(=O)NCC[NH+](C)C)c3)CC2)CC1 ZINC001477773972 1069856058 /nfs/dbraw/zinc/85/60/58/1069856058.db2.gz NEWZMVFGDNMNFB-UHFFFAOYSA-N 2 0 458.651 1.680 20 0 JDADRP CC[N@@H+]1C[C@@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2CC2([NH+](C)C)CCOCC2)C[C@@H]1C ZINC001502245003 1069920449 /nfs/dbraw/zinc/92/04/49/1069920449.db2.gz NRWJXLXRXFLPQT-RBUKOAKNSA-N 2 0 470.622 1.955 20 0 JDADRP CC[N@@H+]1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](C)C[NH+]2CCCC2)C[C@@H]1C ZINC001502245433 1069923163 /nfs/dbraw/zinc/92/31/63/1069923163.db2.gz SOUXLVRXLPFYQS-XWSJACJDSA-N 2 0 455.673 1.539 20 0 JDADRP C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC1 ZINC001478204427 1069924896 /nfs/dbraw/zinc/92/48/96/1069924896.db2.gz SFTMPSSCRCLZDB-NHCUHLMSSA-N 2 0 451.656 1.490 20 0 JDADRP C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C(=O)NC2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CC1 ZINC001478204432 1069926580 /nfs/dbraw/zinc/92/65/80/1069926580.db2.gz SFTMPSSCRCLZDB-SFTDATJTSA-N 2 0 451.656 1.490 20 0 JDADRP CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)[NH+](C)C2CC2)C[C@@H]1C ZINC001502258149 1069958196 /nfs/dbraw/zinc/95/81/96/1069958196.db2.gz UURMBLGEHNCWHW-LXZJYRNTSA-N 2 0 483.683 1.013 20 0 JDADRP CC[NH+]1CCC(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[NH+](C[C@H]3CCOC3)CC2)CC1 ZINC001502266159 1069978304 /nfs/dbraw/zinc/97/83/04/1069978304.db2.gz HVYJKEUFXRSHED-TZIWHRDSSA-N 2 0 497.710 1.169 20 0 JDADRP CC[N@@H+]1CCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1C[C@H]([NH+]2CCCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001502282055 1070016620 /nfs/dbraw/zinc/01/66/20/1070016620.db2.gz RDLOMBBIYCTKCU-NNWRFLSQSA-N 2 0 488.681 1.280 20 0 JDADRP CC[N@@H+]1CCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[NH+](CCc2ccccc2)CC1 ZINC001502281660 1070014427 /nfs/dbraw/zinc/01/44/27/1070014427.db2.gz LCYCMRUWDUTYNP-RBBKRZOGSA-N 2 0 489.690 1.737 20 0 JDADRP CC[N@@H+]1CCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[NH+](CCc2ccccc2)CC1 ZINC001502281659 1070015093 /nfs/dbraw/zinc/01/50/93/1070015093.db2.gz LCYCMRUWDUTYNP-IRLDBZIGSA-N 2 0 489.690 1.737 20 0 JDADRP C[NH+](C)C[C@@H]1CN(C(=O)NC[C@H](Cc2cccc(F)c2)C(=O)N2CCOCC2)C[C@H]1C[NH+](C)C ZINC001478582845 1070022824 /nfs/dbraw/zinc/02/28/24/1070022824.db2.gz YLLSPCURKJRAGW-BHDDXSALSA-N 2 0 477.625 1.224 20 0 JDADRP C[C@@H](NC(=O)NCC1([NH+]2CCN(c3ccccc3)CC2)CCOCC1)[C@@H]1C[N@H+](C)CCN1C ZINC001478640486 1070034769 /nfs/dbraw/zinc/03/47/69/1070034769.db2.gz BJXGJCNQVBTNDG-GGAORHGYSA-N 2 0 458.651 1.291 20 0 JDADRP NC(=O)C1CC[NH+](Cc2ccc(CNC(=O)N3CCC[C@H]([NH2+]C4CCOCC4)C3)cc2)CC1 ZINC001478822271 1070056915 /nfs/dbraw/zinc/05/69/15/1070056915.db2.gz WZVDFCHJHQCDJY-QHCPKHFHSA-N 2 0 457.619 1.827 20 0 JDADRP CC[NH+]1CCN([C@H](C)Cn2c(C(=O)N3CCCC3)nnc2N2CC[NH+](CC(C)C)CC2)CC1 ZINC001502310464 1070073019 /nfs/dbraw/zinc/07/30/19/1070073019.db2.gz ZZVLCBWVYCCCAH-OAQYLSRUSA-N 2 0 460.671 1.318 20 0 JDADRP CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3cnccn3)n2C[C@@H](C)N2CC[NH+](CC)CC2)C1 ZINC001502312908 1070085844 /nfs/dbraw/zinc/08/58/44/1070085844.db2.gz UYBHKLVPIZJXSY-NHCUHLMSSA-N 2 0 455.655 1.929 20 0 JDADRP CC[NH+]1CCN([C@@H](C)Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC([NH2+]C(C)C)CC2)CC1 ZINC001502314405 1070093272 /nfs/dbraw/zinc/09/32/72/1070093272.db2.gz UWNXYBOMYSZJTI-VQTJNVASSA-N 2 0 481.711 1.173 20 0 JDADRP CC[N@@H+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](C)[NH+]2CCc3ccccc3C2)C[C@@H]1C ZINC001502317819 1070123884 /nfs/dbraw/zinc/12/38/84/1070123884.db2.gz OREJXXMBZFGTTA-UFYCRDLUSA-N 2 0 489.690 1.866 20 0 JDADRP CC[N@@H+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2([NH+]3CCCC3)CCOCC2)C[C@@H]1C ZINC001502318191 1070126252 /nfs/dbraw/zinc/12/62/52/1070126252.db2.gz WFWGQJIGXUSBOD-RBUKOAKNSA-N 2 0 483.683 1.064 20 0 JDADRP CC[N@@H+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@H]2C[NH+](CC(C)C)CCO2)C[C@@H]1C ZINC001502318199 1070126354 /nfs/dbraw/zinc/12/63/54/1070126354.db2.gz WGNIKYQSZLGBBL-VQTJNVASSA-N 2 0 470.622 1.813 20 0 JDADRP CC[N@@H+]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@H](C)[NH+](C)C)C[C@@H]1C ZINC001502320689 1070137911 /nfs/dbraw/zinc/13/79/11/1070137911.db2.gz MVVGDSZPPYKIDA-ROUUACIJSA-N 2 0 463.652 1.676 20 0 JDADRP CC[N@@H+]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@@H](C)[NH+](C)C)C[C@H]1C ZINC001502320688 1070138416 /nfs/dbraw/zinc/13/84/16/1070138416.db2.gz MVVGDSZPPYKIDA-QZTJIDSGSA-N 2 0 463.652 1.676 20 0 JDADRP CC[N@@H+]1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@@]2(O)CC[NH+](C)C2)C[C@@H]1C ZINC001502326522 1070145799 /nfs/dbraw/zinc/14/57/99/1070145799.db2.gz YATYUNDDOVLYDU-WZOHSFFVSA-N 2 0 491.681 1.990 20 0 JDADRP CC[N@@H+]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C)[NH+]2CCC[C@@H](C)C2)C[C@H]1C ZINC001502327332 1070152205 /nfs/dbraw/zinc/15/22/05/1070152205.db2.gz MDTHDMPZBQYTPI-CGXNFDGLSA-N 2 0 497.710 1.262 20 0 JDADRP CC[N@@H+]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCC[NH+]2CCC(C)CC2)C[C@@H]1C ZINC001502327953 1070157320 /nfs/dbraw/zinc/15/73/20/1070157320.db2.gz WYHLGZMNOOBEEN-LEWJYISDSA-N 2 0 497.710 1.263 20 0 JDADRP CC[N@@H+]1CCN(c2nnc(Cn3nc(C)cc3C)n2CCN2CC[NH+](C)C(C)(C)C2)C[C@H]1C ZINC001502329618 1070161670 /nfs/dbraw/zinc/16/16/70/1070161670.db2.gz FKUYJLIAGQDOFS-OAQYLSRUSA-N 2 0 457.671 1.696 20 0 JDADRP CC[NH+]1CCN([C@@H]2CCN(c3nnc(C(=O)NC(C)C)n3CC(C)(C)C[NH+]3CCCC3)C2)CC1 ZINC001502331983 1070167320 /nfs/dbraw/zinc/16/73/20/1070167320.db2.gz AVNKPZCBLDZHBC-OAQYLSRUSA-N 2 0 474.698 1.755 20 0 JDADRP CC[NH+]1CCN([C@@H]2CCN(c3nnc(C(=O)NC(C)C)n3CC[NH+]3CCCCCC3)C2)CC1 ZINC001502332507 1070171741 /nfs/dbraw/zinc/17/17/41/1070171741.db2.gz MBRWHHQFUYTPKF-OAQYLSRUSA-N 2 0 460.671 1.509 20 0 JDADRP CC[NH+]1CCN([C@@H]2CCN(c3nnc(C(=O)NC(C)C)n3C[C@@H](C)C[NH+]3CCCC3)C2)CC1 ZINC001502332264 1070169815 /nfs/dbraw/zinc/16/98/15/1070169815.db2.gz HATGOYLCOKWXRT-LEWJYISDSA-N 2 0 460.671 1.364 20 0 JDADRP C[NH+]1CCN(c2ccc(CCNC(=O)NC[C@@]3(O)CC[N@H+](Cc4ccccc4)C3)cc2)CC1 ZINC001479604251 1070172500 /nfs/dbraw/zinc/17/25/00/1070172500.db2.gz NARDBISFFCCBHP-SANMLTNESA-N 2 0 451.615 1.917 20 0 JDADRP CCN1CC[NH+](C[C@H](C)Cn2c(-c3cccn3C)nnc2N2CC[N@H+](CCOC)[C@@H](C)C2)CC1 ZINC001502341381 1070227996 /nfs/dbraw/zinc/22/79/96/1070227996.db2.gz VAYFSDZBQOXJRW-VXKWHMMOSA-N 2 0 472.682 1.714 20 0 JDADRP CCN1CC[NH+](C[C@H](C)Cn2c([C@@H]3CCOC3)nnc2N2CC[N@H+](CCOC)[C@H](C)C2)CC1 ZINC001502343768 1070244479 /nfs/dbraw/zinc/24/44/79/1070244479.db2.gz UGLNGOVHXDGJMX-BHDDXSALSA-N 2 0 463.671 1.213 20 0 JDADRP CCN1CC[NH+](C[C@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N2CC[NH+](CC(C)C)CC2)CC1 ZINC001502343953 1070249222 /nfs/dbraw/zinc/24/92/22/1070249222.db2.gz WZLKQUKGRZHDHY-LEWJYISDSA-N 2 0 460.671 1.281 20 0 JDADRP CCN1CC[NH+](CCCCn2c(C(=O)N3CCCC3)nnc2N2CC[NH+](C(C)C)CC2)CC1 ZINC001502347170 1070262338 /nfs/dbraw/zinc/26/23/38/1070262338.db2.gz VSVXIMVACIFDIH-UHFFFAOYSA-N 2 0 460.671 1.462 20 0 JDADRP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+]3CCCC[C@@H]3C2)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001493268093 1070273921 /nfs/dbraw/zinc/27/39/21/1070273921.db2.gz YGCQDEONCLZANP-JSXRDJHFSA-N 2 0 481.711 1.931 20 0 JDADRP CC[NH+]1CCN(CCCn2c(C(=O)Nc3ccccn3)nnc2N2C[C@@H](C)[N@H+](CC)C[C@H]2C)CC1 ZINC001502352932 1070276352 /nfs/dbraw/zinc/27/63/52/1070276352.db2.gz SNKVOMFKOWUUMD-NHCUHLMSSA-N 2 0 483.665 1.872 20 0 JDADRP CC[NH+]1CCN(CCCn2c(CC(C)C)nnc2N2CCN(C(=O)C[NH+]3CCCC3)CC2)CC1 ZINC001502359109 1070298725 /nfs/dbraw/zinc/29/87/25/1070298725.db2.gz VYPDLKMFVXOIFW-UHFFFAOYSA-N 2 0 474.698 1.249 20 0 JDADRP CC(C)[NH2+]C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001493693803 1070337244 /nfs/dbraw/zinc/33/72/44/1070337244.db2.gz VVUIGCNDRDAYFG-CEXWTWQISA-N 2 0 469.700 1.976 20 0 JDADRP CC(C)[NH2+]C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001493693805 1070337640 /nfs/dbraw/zinc/33/76/40/1070337640.db2.gz VVUIGCNDRDAYFG-QRVBRYPASA-N 2 0 469.700 1.976 20 0 JDADRP C[C@@H]1CCC[N@H+](CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[NH+](C(C)(C)C)CC2)C1 ZINC001493804766 1070350763 /nfs/dbraw/zinc/35/07/63/1070350763.db2.gz IDFXYYNIKKAMBG-UXHICEINSA-N 2 0 497.710 1.263 20 0 JDADRP CC(C)NC(=O)c1nnc(N2CC[NH+](C[C@@H]3CCOC3)CC2)n1CCC[NH+]1CCC(C)CC1 ZINC001494055950 1070382499 /nfs/dbraw/zinc/38/24/99/1070382499.db2.gz TWNDTZQHIXYDKE-NRFANRHFSA-N 2 0 461.655 1.697 20 0 JDADRP CC(C)[NH2+]C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC[NH+]2CCC(C)CC2)CC1 ZINC001494080517 1070385602 /nfs/dbraw/zinc/38/56/02/1070385602.db2.gz GXZCJXYLMNLCSR-OAQYLSRUSA-N 2 0 497.710 1.310 20 0 JDADRP C[C@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CCOCC[NH+](C)C)CC[N@@H+](C2CCC2)C1 ZINC001494152240 1070448764 /nfs/dbraw/zinc/44/87/64/1070448764.db2.gz STBXNKHDFUERAB-LJQANCHMSA-N 2 0 470.622 1.814 20 0 JDADRP CCNC(=O)N1CCN(c2nnc(COCC)n2CCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC001502463714 1070498334 /nfs/dbraw/zinc/49/83/34/1070498334.db2.gz TUTQKCRQPKRPKL-UHFFFAOYSA-N 2 0 485.637 1.273 20 0 JDADRP CC(C)[N@@H+]1CCCN(c2nnc(C(=O)N3CCCC3)n2CCC[NH+]2CCCO[C@@H](C)C2)CC1 ZINC001494518196 1070609101 /nfs/dbraw/zinc/60/91/01/1070609101.db2.gz HCJGQJDRRUWEEE-NRFANRHFSA-N 2 0 461.655 1.936 20 0 JDADRP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+]3CCCC[C@H]3C2)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001494519681 1070611351 /nfs/dbraw/zinc/61/13/51/1070611351.db2.gz PRQHEYNOOOSJIR-YRPNKDGESA-N 2 0 483.683 1.062 20 0 JDADRP CC(C)c1nnc(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)n1CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001494520943 1070613853 /nfs/dbraw/zinc/61/38/53/1070613853.db2.gz WQLFRXGTYIGIAV-NJDAHSKKSA-N 2 0 461.655 1.644 20 0 JDADRP C[C@@H]1C[N@H+](CCCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC[NH+](C(C)(C)C)CC2)CCCO1 ZINC001494532880 1070625701 /nfs/dbraw/zinc/62/57/01/1070625701.db2.gz ZUARHCKXRITXSC-RTWAWAEBSA-N 2 0 496.722 1.992 20 0 JDADRP CCO[C@]1(c2nnc(N3C[C@H](C)[N@H+](CC)C[C@H]3C)n2C[C@@H](C)N2CC[NH+](CC)CC2)CCOC1 ZINC001502664043 1070743347 /nfs/dbraw/zinc/74/33/47/1070743347.db2.gz GNEGYLGXGUGSPL-IYXIZZNPSA-N 2 0 477.698 1.875 20 0 JDADRP CCO[C@]1(c2nnc(N3CC[C@@H](C[NH+](CC)CC)C3)n2C[C@@]2(O)CC[N@H+](C)C2)CCOC1 ZINC001502680744 1070769794 /nfs/dbraw/zinc/76/97/94/1070769794.db2.gz WQNFTURCLKGJMN-WWPVKYPJSA-N 2 0 450.628 1.165 20 0 JDADRP CCO[C@]1(c2nnc(N3CCC[C@H](C[NH+]4CCOCC4)C3)n2CC[N@H+](C)C(C)C)CCOC1 ZINC001502708381 1070814091 /nfs/dbraw/zinc/81/40/91/1070814091.db2.gz RPPHSAUZPKYJBN-ZJSXRUAMSA-N 2 0 464.655 1.819 20 0 JDADRP CC[C@H](C)c1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001495695726 1070815843 /nfs/dbraw/zinc/81/58/43/1070815843.db2.gz KTSWBPDVXOYHMP-RTWAWAEBSA-N 2 0 461.655 1.504 20 0 JDADRP CCO[C@]1(c2nnc(N3CC[NH+](C4CCOCC4)CC3)n2C[C@@H](C)[NH+](CC)CC)CCOC1 ZINC001502720773 1070828545 /nfs/dbraw/zinc/82/85/45/1070828545.db2.gz AQFSOWOGIICLGM-HYBUGGRVSA-N 2 0 464.655 1.962 20 0 JDADRP CCO[C@@]1(c2nnc(N3CC[NH+](C4CCOCC4)CC3)n2CC[N@H+](CC)C(C)C)CCOC1 ZINC001502721256 1070828959 /nfs/dbraw/zinc/82/89/59/1070828959.db2.gz DYOVWNNQYUMIHY-DEOSSOPVSA-N 2 0 464.655 1.962 20 0 JDADRP CC[C@H](C)[N@H+](C)CCn1c(Cn2nc(C)cc2C)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001496188240 1070833260 /nfs/dbraw/zinc/83/32/60/1070833260.db2.gz LOCYDTFXYDPKNZ-NRFANRHFSA-N 2 0 485.681 1.614 20 0 JDADRP COc1ccc(-c2nnc(N3CCC([NH2+]C(C)C)CC3)n2C[C@@]2(O)CC[N@H+](C)C2)c(OC)c1 ZINC001504183672 1070868215 /nfs/dbraw/zinc/86/82/15/1070868215.db2.gz RHNDTFCRRYGOTP-XMMPIXPASA-N 2 0 458.607 1.996 20 0 JDADRP COc1ccc(-c2nnc(N3CC[NH+](C(C)(C)C)CC3)n2C[C@]2(O)CC[N@H+](C)C2)cc1OC ZINC001504198074 1070875506 /nfs/dbraw/zinc/87/55/06/1070875506.db2.gz LNFMAFLGBHRUTQ-DEOSSOPVSA-N 2 0 458.607 1.949 20 0 JDADRP CCOCc1nnc(N2C[C@@H](C)[C@@H]([N@@H+]3CCCN(C(C)=O)CC3)C2)n1CC1([NH+](C)C)CCC1 ZINC001503033318 1070987667 /nfs/dbraw/zinc/98/76/67/1070987667.db2.gz MBCUIZIAAGAIJS-CTNGQTDRSA-N 2 0 461.655 1.678 20 0 JDADRP CCOCc1nnc(N2CCC(C[NH+]3CCOCC3)CC2)n1CCC[NH+]1CCC(O)CC1 ZINC001503056664 1071011365 /nfs/dbraw/zinc/01/13/65/1071011365.db2.gz GSORWAXIXPTQCM-UHFFFAOYSA-N 2 0 450.628 1.210 20 0 JDADRP CCOCc1nnc(N2CCC(C[NH+]3CCOCC3)CC2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001503057652 1071013022 /nfs/dbraw/zinc/01/30/22/1071013022.db2.gz QCCHGSJCPLVQBW-UHFFFAOYSA-N 2 0 464.655 1.599 20 0 JDADRP CCOCc1nnc(N2CCC(N3CC[NH+](C(C)C)CC3)CC2)n1CCC[NH+]1CCC(O)CC1 ZINC001503060714 1071016069 /nfs/dbraw/zinc/01/60/69/1071016069.db2.gz HMSZMQNLZCEQDJ-UHFFFAOYSA-N 2 0 477.698 1.656 20 0 JDADRP CCOCc1nnc(N2CC[C@H](N3CC[NH+](CC)CC3)C2)n1C[C@H]1C[N@H+](CC(C)C)CCO1 ZINC001503060907 1071016444 /nfs/dbraw/zinc/01/64/44/1071016444.db2.gz LAXKFJPLAWJZQQ-FCHUYYIVSA-N 2 0 463.671 1.388 20 0 JDADRP CCOCc1nnc(N2CC[C@@H](N3CC[NH+](CC)CC3)C2)n1C[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC001503060910 1071016856 /nfs/dbraw/zinc/01/68/56/1071016856.db2.gz LAXKFJPLAWJZQQ-YADHBBJMSA-N 2 0 463.671 1.388 20 0 JDADRP CCOCc1nnc(N2CCCN(CC(=O)N3CCCC3)CC2)n1C[C@H](C(C)C)N1CCOCC1 ZINC001503093397 1071036685 /nfs/dbraw/zinc/03/66/85/1071036685.db2.gz GTGYRYCOBHWTIS-JOCHJYFZSA-N 2 0 491.681 1.306 20 0 JDADRP CCOCc1nnc(N2CCC[C@@H](C[NH+]3CCOCC3)C2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001503097105 1071040194 /nfs/dbraw/zinc/04/01/94/1071040194.db2.gz VSRUICFDQAKUJK-NRFANRHFSA-N 2 0 463.671 1.389 20 0 JDADRP CCOCc1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1CCC[NH+]1CCC(C)CC1 ZINC001503098834 1071044971 /nfs/dbraw/zinc/04/49/71/1071044971.db2.gz HTORYBWBXLMARS-UHFFFAOYSA-N 2 0 461.655 1.681 20 0 JDADRP CCOCc1nnc(N2CC[NH+](C[C@@H]3CCOC3)CC2)n1CC(C)(C)[NH+]1CCC(OC)CC1 ZINC001503115462 1071077179 /nfs/dbraw/zinc/07/71/79/1071077179.db2.gz QUVRIJQDDRYISW-FQEVSTJZSA-N 2 0 464.655 1.863 20 0 JDADRP COc1ccccc1-c1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1C[C@H](C)[NH+](C)C ZINC001504385281 1071118427 /nfs/dbraw/zinc/11/84/27/1071118427.db2.gz LKPSTNZYYFOBHD-IBGZPJMESA-N 2 0 455.607 1.648 20 0 JDADRP CCOCC[N@@H+]1CCN(c2nnc(C(=O)N3CCCC3)n2CC[NH+]2CCCCC2)C[C@@H]1CC ZINC001503215779 1071164559 /nfs/dbraw/zinc/16/45/59/1071164559.db2.gz JMZKYVOWGSTSEU-NRFANRHFSA-N 2 0 461.655 1.937 20 0 JDADRP CCOCC[N@@H+]1CCN(c2nnc(-c3cnccn3)n2CC2([NH+](C)C)CCOCC2)C[C@@H]1CC ZINC001503222109 1071181191 /nfs/dbraw/zinc/18/11/91/1071181191.db2.gz WYBHSHYMGNTYKR-FQEVSTJZSA-N 2 0 472.638 1.783 20 0 JDADRP COC1CC[NH+](C(C)(C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@H]3CCC[N@@H+]3C[C@H]2C)CC1 ZINC001504489018 1071263048 /nfs/dbraw/zinc/26/30/48/1071263048.db2.gz DQSHKEZVOKDCEH-CEXWTWQISA-N 2 0 497.710 1.451 20 0 JDADRP COC1CC[NH+](C(C)(C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[N@@H+]3CCCC[C@H]3C2)CC1 ZINC001504489488 1071263969 /nfs/dbraw/zinc/26/39/69/1071263969.db2.gz ICWBTYMNBMQBNV-OALUTQOASA-N 2 0 497.710 1.452 20 0 JDADRP Cn1cc(C[N@@H+]2CCCN(c3nnc(C(=O)N4CCCC4)n3CC(C)(C)C[NH+](C)C)CC2)cn1 ZINC001503391522 1071651575 /nfs/dbraw/zinc/65/15/75/1071651575.db2.gz NMAXMURFTMVSDK-UHFFFAOYSA-N 2 0 471.654 1.548 20 0 JDADRP C[NH+](C)CCOCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001503401598 1071664665 /nfs/dbraw/zinc/66/46/65/1071664665.db2.gz BYNWTEOFZWMCJL-QGZVFWFLSA-N 2 0 496.454 1.772 20 0 JDADRP C[NH+](C)CCOCCn1c(-c2cc(Br)c[nH]2)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001503401597 1071664708 /nfs/dbraw/zinc/66/47/08/1071664708.db2.gz BYNWTEOFZWMCJL-KRWDZBQOSA-N 2 0 496.454 1.772 20 0 JDADRP COCCC[N@H+](C)CCn1c(C(C)C)nnc1N1C[C@@H](C)[C@H]([NH+]2CCCN(C(C)=O)CC2)C1 ZINC001504811803 1071683357 /nfs/dbraw/zinc/68/33/57/1071683357.db2.gz QOUNPDGLPKHBSO-IFMALSPDSA-N 2 0 463.671 1.749 20 0 JDADRP COCCC[N@H+](C)CCn1c([C@H]2CCCCO2)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001504820513 1071706461 /nfs/dbraw/zinc/70/64/61/1071706461.db2.gz OAKCWZHINUGERR-OAQYLSRUSA-N 2 0 450.628 1.789 20 0 JDADRP COCC[N@H+](C)CCCn1c(-c2cnccn2)nnc1N1C[C@H]([NH+]2CCCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001504850527 1071748117 /nfs/dbraw/zinc/74/81/17/1071748117.db2.gz GNDYXNLNHBNLIK-REWPJTCUSA-N 2 0 499.664 1.082 20 0 JDADRP COCC[N@H+](C)CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[NH+](C(C)(C)C)CC1 ZINC001504850692 1071749344 /nfs/dbraw/zinc/74/93/44/1071749344.db2.gz KSRPMKWCFVTRRL-LJQANCHMSA-N 2 0 470.684 1.459 20 0 JDADRP COCC[N@H+](C)CCCn1c([C@H]2CCCOC2)nnc1N1CC[NH+](C2CCOCC2)C[C@@H]1C ZINC001504853053 1071756937 /nfs/dbraw/zinc/75/69/37/1071756937.db2.gz ZBOQNTGPWDSCBV-SFTDATJTSA-N 2 0 464.655 1.830 20 0 JDADRP COCC[N@H+](C)CCn1c(-c2cccc(C)n2)nnc1N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC001504857104 1071773740 /nfs/dbraw/zinc/77/37/40/1071773740.db2.gz KJBLMZXLFZVHMI-NRFANRHFSA-N 2 0 457.623 1.775 20 0 JDADRP COCC[N@@H+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](C)[NH+]2CCC(C)CC2)C[C@@H]1C ZINC001504904007 1071842736 /nfs/dbraw/zinc/84/27/36/1071842736.db2.gz IGQVJDLQZRQOOA-UFYCRDLUSA-N 2 0 485.699 1.166 20 0 JDADRP COCC[N@@H+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](C)[NH+]2CCC(C)CC2)C[C@H]1C ZINC001504904002 1071842532 /nfs/dbraw/zinc/84/25/32/1071842532.db2.gz IGQVJDLQZRQOOA-AQNXPRMDSA-N 2 0 485.699 1.166 20 0 JDADRP COCC[N@@H+]1CCN(c2nnc(-c3cccnc3)n2CCC[NH+]2CCCO[C@@H](C)C2)C[C@H]1C ZINC001504914703 1071875476 /nfs/dbraw/zinc/87/54/76/1071875476.db2.gz PTWQRVCQLQDCNQ-RTWAWAEBSA-N 2 0 457.623 1.998 20 0 JDADRP COCC[N@@H+]1CCN(c2nnc(-c3cnn(C)c3)n2Cc2cccc(C[NH+](C)C)c2)C[C@@H]1C ZINC001504914733 1071876162 /nfs/dbraw/zinc/87/61/62/1071876162.db2.gz QEMRNNQWAWXQJG-IBGZPJMESA-N 2 0 452.607 1.945 20 0 JDADRP COCC[N@@H+]1CCN(c2nnc(-c3cnccn3)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@@H](C)C2)C[C@H]1C ZINC001504916286 1071880075 /nfs/dbraw/zinc/88/00/75/1071880075.db2.gz FESJIPZMCTYHTE-AQNXPRMDSA-N 2 0 472.638 1.780 20 0 JDADRP COCC[N@@H+]1CCN(c2nnc(-c3cnccn3)n2C[C@@H]2C[NH+](CC(C)C)CCO2)C[C@@H]1C ZINC001504916590 1071880660 /nfs/dbraw/zinc/88/06/60/1071880660.db2.gz HOZNPBJCSQJQSB-PMACEKPBSA-N 2 0 458.611 1.249 20 0 JDADRP COCC[N@@H+]1CCN(c2nnc([C@@H]3CCOC3)n2CC(C)(C)[NH+]2CCC(OC)CC2)C[C@@H]1C ZINC001504920961 1071894463 /nfs/dbraw/zinc/89/44/63/1071894463.db2.gz SNZMGJYXEDXWJE-VQTJNVASSA-N 2 0 464.655 1.828 20 0 JDADRP COCC[N@@H+]1CCN(c2nnc([C@@H]3CCOC3)n2CC(C)(C)[NH+]2CCC(OC)CC2)C[C@H]1C ZINC001504920962 1071894511 /nfs/dbraw/zinc/89/45/11/1071894511.db2.gz SNZMGJYXEDXWJE-WOJBJXKFSA-N 2 0 464.655 1.828 20 0 JDADRP COCC[N@@H+]1CCN(c2nnc(CCOc3ccccc3)n2C[C@]2(O)CC[NH+](C)C2)C[C@H]1C ZINC001504923809 1071905277 /nfs/dbraw/zinc/90/52/77/1071905277.db2.gz JYZAXGDGFBVRQY-YKSBVNFPSA-N 2 0 458.607 1.123 20 0 JDADRP COCC[N@@H+]1CCN(c2nnc(CN3CCCC3=O)n2CC(C)(C)[NH+]2CCCCC2)C[C@@H]1C ZINC001504923203 1071901097 /nfs/dbraw/zinc/90/10/97/1071901097.db2.gz FGLCUGOGJHGHJU-FQEVSTJZSA-N 2 0 461.655 1.822 20 0 JDADRP COCC[N@@H+]1CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2CCC[NH+](CC(C)C)C2)C[C@@H]1C ZINC001504924444 1071907847 /nfs/dbraw/zinc/90/78/47/1071907847.db2.gz WNDCHEHAIQXFBL-VXKWHMMOSA-N 2 0 475.682 1.925 20 0 JDADRP COCCO[C@@H](C)c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001504990117 1072048498 /nfs/dbraw/zinc/04/84/98/1072048498.db2.gz UZXPVMKRIFBLRW-FQEVSTJZSA-N 2 0 465.687 1.949 20 0 JDADRP C[NH+](C)CCN(CC[NH+](C)C)C(=O)Nc1cccc(S(=O)(=O)NC2=NCCCCC2)c1 ZINC001464968779 1067716799 /nfs/dbraw/zinc/71/67/99/1067716799.db2.gz MSAMNDRQFGUJGW-UHFFFAOYSA-N 2 0 452.625 1.895 20 0 JDADRP C[NH+](C)C1CCN(C(=O)CC2CCN(C(=O)c3ccnc(N4CC[NH+](C)CC4)c3)CC2)CC1 ZINC001465352054 1067785794 /nfs/dbraw/zinc/78/57/94/1067785794.db2.gz KLWKFOFQQQYWGM-UHFFFAOYSA-N 2 0 456.635 1.628 20 0 JDADRP CCOC(=O)[C@H](C)NC(=O)c1ccc(NC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)cc1F ZINC001465786055 1067830344 /nfs/dbraw/zinc/83/03/44/1067830344.db2.gz ZRZJEILPWYKSPG-GVDBMIGSSA-N 2 0 465.570 1.710 20 0 JDADRP C[NH+](C)CCNC(=O)[C@H](Cc1ccccc1)NC(=O)c1ccc(CN2CC[NH+](C)CC2)cc1 ZINC001466114665 1067860663 /nfs/dbraw/zinc/86/06/63/1067860663.db2.gz XLULSMQKQCQRCD-DEOSSOPVSA-N 2 0 451.615 1.453 20 0 JDADRP C[NH+](C)CCn1c(=O)[nH]c2ccc(C(=O)N[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3CO)cc21 ZINC001466130953 1067862952 /nfs/dbraw/zinc/86/29/52/1067862952.db2.gz CMWRPLYCFZWSOZ-RTWAWAEBSA-N 2 0 451.571 1.916 20 0 JDADRP C[NH+]1CCN(c2ccc(CNC(=O)N[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3CO)cn2)CC1 ZINC001467905683 1068090784 /nfs/dbraw/zinc/09/07/84/1068090784.db2.gz ASNAXBJRPGDADX-DHIUTWEWSA-N 2 0 452.603 1.516 20 0 JDADRP CC(C)(C)OC(=O)NCCN(CCO)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001468363749 1068257680 /nfs/dbraw/zinc/25/76/80/1068257680.db2.gz QLNRCBGHWKEUIN-UHFFFAOYSA-N 2 0 450.584 1.122 20 0 JDADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCNC(=O)NCCC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC001468452495 1068281869 /nfs/dbraw/zinc/28/18/69/1068281869.db2.gz KYLLPPYQSGHCKN-JOCHJYFZSA-N 2 0 459.635 1.646 20 0 JDADRP C[C@@H]1CN(C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC001468657970 1068337472 /nfs/dbraw/zinc/33/74/72/1068337472.db2.gz QWASDHTZISQDPU-YADHBBJMSA-N 2 0 458.655 1.046 20 0 JDADRP NC(=O)C1CC[NH+](Cc2ccc(CNC(=O)NC3CC[NH+](C[C@@H]4CCCO4)CC3)cc2)CC1 ZINC001468873388 1068384954 /nfs/dbraw/zinc/38/49/54/1068384954.db2.gz MEOTZYQUYTXNBE-QHCPKHFHSA-N 2 0 457.619 1.827 20 0 JDADRP C[NH+](C)CCOc1ccccc1N1CCN(C(=O)NC2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC001468910816 1068391849 /nfs/dbraw/zinc/39/18/49/1068391849.db2.gz VGUQGTCFVFSEFE-NRFANRHFSA-N 2 0 459.635 1.960 20 0 JDADRP CN(C)C(=O)C[N@H+]1[C@@H]2CC[C@H]1CC(NC(=O)NCCc1ccc(N3CC[NH+](C)CC3)cc1)C2 ZINC001470104944 1068698339 /nfs/dbraw/zinc/69/83/39/1068698339.db2.gz PBFMHDIXYWYVFM-BRTIRZTQSA-N 2 0 456.635 1.364 20 0 JDADRP C[NH+](C)C[C@@H]1CN(C(=O)NCCNS(=O)(=O)c2cccc(Cl)c2Cl)C[C@H]1C[NH+](C)C ZINC001470111970 1068701602 /nfs/dbraw/zinc/70/16/02/1068701602.db2.gz RSUIJMILWLUWFE-HUUCEWRRSA-N 2 0 480.462 1.653 20 0 JDADRP C[C@H](CNC(=O)NCC1([NH+]2CCN(c3ccccc3)CC2)CCOCC1)N1CC[NH+](C)CC1 ZINC001470175468 1068714225 /nfs/dbraw/zinc/71/42/25/1068714225.db2.gz MFRXTRWBIWTTIG-JOCHJYFZSA-N 2 0 458.651 1.293 20 0 JDADRP CC1(C)CN(C(=O)NCC2([NH+]3CCN(c4ccccc4)CC3)CCOCC2)CC[N@@H+]1CCO ZINC001470174658 1068714517 /nfs/dbraw/zinc/71/45/17/1068714517.db2.gz GJPQCBQGOFAUDP-UHFFFAOYSA-N 2 0 459.635 1.456 20 0 JDADRP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)NCC1(N2CCOCC2)CC[NH+](C)CC1 ZINC001470506729 1068773534 /nfs/dbraw/zinc/77/35/34/1068773534.db2.gz JDEIMIGGZBVEBC-DNQXCXABSA-N 2 0 473.662 1.619 20 0 JDADRP C[N@@H+]1CCC[C@H](N2CCN(C(=O)NCc3ccc(C[NH+]4CCC(C(N)=O)CC4)cc3)CC2)C1 ZINC001470519204 1068775310 /nfs/dbraw/zinc/77/53/10/1068775310.db2.gz ZRBUXILINRSCMX-QHCPKHFHSA-N 2 0 456.635 1.305 20 0 JDADRP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CNC(=O)N1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC001470551089 1068781011 /nfs/dbraw/zinc/78/10/11/1068781011.db2.gz FBRGYHHSKTVUKM-DHIUTWEWSA-N 2 0 459.635 1.719 20 0 JDADRP CC(=O)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)cc1 ZINC001471107089 1068835815 /nfs/dbraw/zinc/83/58/15/1068835815.db2.gz ADZIDJYYKDKMDT-MQSCRBSSSA-N 2 0 478.659 1.630 20 0 JDADRP C[NH+](C)C[C@@H]1CN(C(=O)CCCNS(=O)(=O)c2ccc3c(c2)CCCC3)C[C@H]1C[NH+](C)C ZINC001471108840 1068836253 /nfs/dbraw/zinc/83/62/53/1068836253.db2.gz DPAMVGMIIIZQKW-FGZHOGPDSA-N 2 0 464.676 1.822 20 0 JDADRP C[NH+](C)C[C@@H]1CN(C(=O)c2ccc(Cl)c(S(=O)(=O)N3CCCC3)c2)C[C@H]1C[NH+](C)C ZINC001471107761 1068836351 /nfs/dbraw/zinc/83/63/51/1068836351.db2.gz VUQGBEWCNIXDQZ-QZTJIDSGSA-N 2 0 457.040 1.936 20 0 JDADRP CC[C@@H]1C(=O)NCCN1c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1CC[N@H+](C)C(C)C ZINC001499322742 1068981908 /nfs/dbraw/zinc/98/19/08/1068981908.db2.gz UDSYOJXIOMVQHH-HSZRJFAPSA-N 2 0 482.677 1.698 20 0 JDADRP CC[C@H]1CCCC[N@@H+]1CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001499462662 1069003001 /nfs/dbraw/zinc/00/30/01/1069003001.db2.gz IAILEIOZHWYJDI-PMACEKPBSA-N 2 0 469.700 1.931 20 0 JDADRP CC[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CC2(O)CC[NH+](C(C)C)CC2)CC[N@@H+]1CCOC ZINC001499637416 1069020409 /nfs/dbraw/zinc/02/04/09/1069020409.db2.gz CLDLHWGEADBUFM-OAQYLSRUSA-N 2 0 491.681 1.296 20 0 JDADRP CC[C@H]1CN(c2nnc(C(=O)NC(C)C)n2CCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CCO1 ZINC001499643859 1069024504 /nfs/dbraw/zinc/02/45/04/1069024504.db2.gz XGZCRDGAIXTRGH-NRFANRHFSA-N 2 0 470.622 1.639 20 0 JDADRP CC[C@@H]1CN(c2nnc(-c3cnccn3)n2C[C@@H](C)C[NH+]2CCOCC2)CC[N@@H+]1CCOC ZINC001499718973 1069048882 /nfs/dbraw/zinc/04/88/82/1069048882.db2.gz DJRRCNWQXCVSDK-VQTJNVASSA-N 2 0 458.611 1.250 20 0 JDADRP CC[C@@H]1CN(c2nnc(-c3cnccn3)n2C[C@]2([NH+](C)C)CCSC2)CC[N@@H+]1CCOC ZINC001499719352 1069049795 /nfs/dbraw/zinc/04/97/95/1069049795.db2.gz HRYJANMLTDHTFA-XMSQKQJNSA-N 2 0 460.652 1.719 20 0 JDADRP CC[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](C)[NH+]2CCC(C)CC2)CC[N@@H+]1CCOC ZINC001499723278 1069054006 /nfs/dbraw/zinc/05/40/06/1069054006.db2.gz VZCIOTOSTSISLQ-NJDAHSKKSA-N 2 0 461.655 1.897 20 0 JDADRP CC[C@@H]1CN(c2nnc(COc3ccccc3F)n2C[C@]2(O)CC[NH+](C)C2)CC[N@@H+]1CCOC ZINC001499786836 1069086535 /nfs/dbraw/zinc/08/65/35/1069086535.db2.gz XLVKZOFBYMTQBI-DVECYGJZSA-N 2 0 476.597 1.610 20 0 JDADRP C[NH+](C)CC(C)(C)CNC(=O)C1CC[NH+](CCC(=O)N2CCN(c3ccccn3)CC2)CC1 ZINC001473181113 1069090599 /nfs/dbraw/zinc/09/05/99/1069090599.db2.gz LFPOPFGFNISLEJ-UHFFFAOYSA-N 2 0 458.651 1.536 20 0 JDADRP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]CC(=O)N2CCN(c3cnccn3)CC2)CC1 ZINC001473340630 1069126659 /nfs/dbraw/zinc/12/66/59/1069126659.db2.gz JMBQYAODABFSHO-LJQANCHMSA-N 2 0 455.582 1.757 20 0 JDADRP CCC[C@H]1CN(c2nnc([C@@H]3CCOC3)n2CCN2CC[NH+](C)C(C)(C)C2)CC[N@@H+]1CCOC ZINC001500270120 1069231066 /nfs/dbraw/zinc/23/10/66/1069231066.db2.gz XDDSKYFBELLGDZ-YADHBBJMSA-N 2 0 477.698 1.745 20 0 JDADRP CCCC[N@H+](C)CCn1c(C(=O)N2CCCC2)nnc1N1CCC(C[NH+]2CCOCC2)CC1 ZINC001500407494 1069244885 /nfs/dbraw/zinc/24/48/85/1069244885.db2.gz NTELGFLLWJTUAR-UHFFFAOYSA-N 2 0 461.655 1.795 20 0 JDADRP CCCC[N@H+](C)CCn1c(-c2cccnc2)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001500413887 1069247079 /nfs/dbraw/zinc/24/70/79/1069247079.db2.gz SMJXTCPYIJMZAE-UHFFFAOYSA-N 2 0 454.623 1.816 20 0 JDADRP CCCC[N@H+](C)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[NH+](Cc2cnn(C)c2)CC1 ZINC001500414888 1069247444 /nfs/dbraw/zinc/24/74/44/1069247444.db2.gz AOIWAJSOJDISIS-FQEVSTJZSA-N 2 0 457.627 1.407 20 0 JDADRP CCC[N@H+](C)C[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCC[NH+]2CCCO[C@@H](C)C2)C1 ZINC001500716779 1069302328 /nfs/dbraw/zinc/30/23/28/1069302328.db2.gz MXRJPMUQFKLDQF-PCCBWWKXSA-N 2 0 461.655 1.898 20 0 JDADRP CCC[N@H+](C)C[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC[NH+]2CCCO[C@H](C)C2)C1 ZINC001500720133 1069303270 /nfs/dbraw/zinc/30/32/70/1069303270.db2.gz CQPAJCLTJGRZLS-BHIFYINESA-N 2 0 496.722 1.849 20 0 JDADRP CCOC(=O)[C@H]1Cc2cc(S(=O)(=O)N(CC[NH+](C)C)C[C@H]3CCC[N@@H+]3CC)ccc2O1 ZINC001474915150 1069303675 /nfs/dbraw/zinc/30/36/75/1069303675.db2.gz NVXNMFODGZSYAS-WIYYLYMNSA-N 2 0 453.605 1.590 20 0 JDADRP CCC[N@H+](C)C[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@H](C2CC2)[NH+](C)C)C1 ZINC001500721609 1069304648 /nfs/dbraw/zinc/30/46/48/1069304648.db2.gz ZXKAUWYTJCQVQQ-YSIASYRMSA-N 2 0 452.669 1.689 20 0 JDADRP C[NH+](C)CCN(CC[NH+](C)C)S(=O)(=O)c1c(Cl)nc2ccc(Br)cn21 ZINC001474930284 1069308179 /nfs/dbraw/zinc/30/81/79/1069308179.db2.gz CJLZENJJZDJKEW-UHFFFAOYSA-N 2 0 452.806 1.864 20 0 JDADRP CSC1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)CC[NH+](C)CC1 ZINC001505188601 1072407155 /nfs/dbraw/zinc/40/71/55/1072407155.db2.gz VQFJOPDYLWOWHD-BZSNNMDCSA-N 2 0 485.724 1.389 20 0 JDADRP C[C@H]1C[N@@H+](C2CCOCC2)CCN1c1nnc([C@@H]2CCCCO2)n1CCOCC[NH+](C)C ZINC001505288723 1072471071 /nfs/dbraw/zinc/47/10/71/1072471071.db2.gz ZYWGLMDVIMXMEF-FPOVZHCZSA-N 2 0 450.628 1.787 20 0 JDADRP CC(=O)N1CCC[NH+]([C@H]2CN(c3nnc(Cc4cccnc4)n3CC[N@@H+](C)C(C)C)C[C@H]2C)CC1 ZINC001508229682 1072993500 /nfs/dbraw/zinc/99/35/00/1072993500.db2.gz CEOIEEMYCWXZGW-QPPBQGQZSA-N 2 0 482.677 1.983 20 0 JDADRP CC(=O)N1CCC[N@@H+]([C@H]2CN(c3nnc(C(=O)NC(C)C)n3CC[NH+]3CC=CCC3)C[C@@H]2C)CC1 ZINC001508230440 1072994050 /nfs/dbraw/zinc/99/40/50/1072994050.db2.gz COGSGVFXOMTRQN-UNMCSNQZSA-N 2 0 486.665 1.057 20 0 JDADRP CC(=O)N1CCC[N@@H+]([C@@H]2CN(c3nnc(C(=O)NC(C)C)n3CC[NH+]3CC=CCC3)C[C@@H]2C)CC1 ZINC001508230438 1072994244 /nfs/dbraw/zinc/99/42/44/1072994244.db2.gz COGSGVFXOMTRQN-RBBKRZOGSA-N 2 0 486.665 1.057 20 0 JDADRP CC(=O)N1CCC[N@@H+]([C@@H]2CN(c3nnc(-c4cnccn4)n3CC(C)(C)C[NH+](C)C)C[C@H]2C)CC1 ZINC001508234401 1073003734 /nfs/dbraw/zinc/00/37/34/1073003734.db2.gz VCJMGRRLPZUGEA-DENIHFKCSA-N 2 0 483.665 1.702 20 0 JDADRP CC(=O)N1CCC[N@@H+]([C@H]2CN(c3nnc(-c4cnccn4)n3CC(C)(C)C[NH+](C)C)C[C@@H]2C)CC1 ZINC001508234419 1073004361 /nfs/dbraw/zinc/00/43/61/1073004361.db2.gz VCJMGRRLPZUGEA-UGKGYDQZSA-N 2 0 483.665 1.702 20 0 JDADRP CC(C)(C)CC[NH+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCCC[NH+]2CCOCC2)CC1 ZINC001508617709 1073286942 /nfs/dbraw/zinc/28/69/42/1073286942.db2.gz DWHSVLRZZSUYJZ-FQEVSTJZSA-N 2 0 461.655 1.900 20 0 JDADRP CC(C)[C@@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[NH+](C(C)C)CC1)[NH+]1CCCC1 ZINC001508875730 1073435763 /nfs/dbraw/zinc/43/57/63/1073435763.db2.gz RKKKWKKPYLQMET-NHCUHLMSSA-N 2 0 497.710 1.262 20 0 JDADRP CC(C)C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[NH+](C2CCOCC2)CC1)[NH+](C)C ZINC001509106498 1073502830 /nfs/dbraw/zinc/50/28/30/1073502830.db2.gz MEXVWCBVLIWZOX-AZUAARDMSA-N 2 0 485.699 1.166 20 0 JDADRP CC(C)C[C@@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[NH+](C2CCOCC2)CC1)[NH+](C)C ZINC001509106507 1073502963 /nfs/dbraw/zinc/50/29/63/1073502963.db2.gz MEXVWCBVLIWZOX-QUCCMNQESA-N 2 0 485.699 1.166 20 0 JDADRP CC(C)C[N@@H+]1CCC[C@H](Cn2c(C(=O)NC(C)C)nnc2N2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC001509410116 1073589020 /nfs/dbraw/zinc/58/90/20/1073589020.db2.gz ZUBMGXLQWPOFFF-VXKWHMMOSA-N 2 0 475.682 1.943 20 0 JDADRP CC(C)C[N@@H+]1CCO[C@H](Cn2c(C(=O)NC(C)C)nnc2N2CC[NH+](C3CCOCC3)C[C@@H]2C)C1 ZINC001509437104 1073618737 /nfs/dbraw/zinc/61/87/37/1073618737.db2.gz UJODWNCSGGCWJE-UNMCSNQZSA-N 2 0 491.681 1.463 20 0 JDADRP CC(C)[N@H+](C)CCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC001509513276 1073658262 /nfs/dbraw/zinc/65/82/62/1073658262.db2.gz MTYARLVOXGSZSD-QFIPXVFZSA-N 2 0 474.698 1.954 20 0 JDADRP CC(C)[N@H+](C)CCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001509513997 1073659436 /nfs/dbraw/zinc/65/94/36/1073659436.db2.gz OBYOIZVUWUWRMJ-FKBYEOEOSA-N 2 0 474.698 1.954 20 0 JDADRP CC(C)[N@H+](C)CCCn1c(CN2CCCC2=O)nnc1N1CC[NH+](CC2CCOCC2)CC1 ZINC001509514090 1073659484 /nfs/dbraw/zinc/65/94/84/1073659484.db2.gz XEAWWLMQDAIQNB-UHFFFAOYSA-N 2 0 461.655 1.679 20 0 JDADRP CC(C)[N@H+](C)CCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC001509518580 1073661930 /nfs/dbraw/zinc/66/19/30/1073661930.db2.gz OBKLGPCJYVTZKB-OAQYLSRUSA-N 2 0 497.710 1.406 20 0 JDADRP CC(C)[NH+]1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2cccc(OCC[NH+](C)C)c2)CC1 ZINC001509565245 1073687831 /nfs/dbraw/zinc/68/78/31/1073687831.db2.gz CPNMMKJEYSPUKP-OAQYLSRUSA-N 2 0 455.607 1.748 20 0 JDADRP CC(C)[NH+]1CCN(c2nnc(-c3cnn(C)c3)n2CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC001509569876 1073689565 /nfs/dbraw/zinc/68/95/65/1073689565.db2.gz QDUZETOSGWBIHD-HXUWFJFHSA-N 2 0 457.627 1.152 20 0 JDADRP CC(C)[NH+]1CCN(c2nnc(CN3CCCC3=O)n2Cc2ccccc2OCC[NH+](C)C)CC1 ZINC001509571411 1073690601 /nfs/dbraw/zinc/69/06/01/1073690601.db2.gz QQVJFCHXQMUPQY-UHFFFAOYSA-N 2 0 469.634 1.920 20 0 JDADRP CC(C)NC(=O)c1nnc(N(C)CC2CCOCC2)n1CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001509604748 1073729774 /nfs/dbraw/zinc/72/97/74/1073729774.db2.gz YYWDTICUFYNBNJ-UHFFFAOYSA-N 2 0 484.649 1.886 20 0 JDADRP CN(C)C(=O)N1CC2(CCN(c3cc(OC4CC[NH+](C)CC4)cc[nH+]3)CC2)[C@@]2(CCN(C)C2=O)C1 ZINC001164711772 720162650 /nfs/dbraw/zinc/16/26/50/720162650.db2.gz BZTRYNDGQLOTPV-SANMLTNESA-N 2 0 484.645 1.987 20 0 JDADRP Cn1nnc2c1CCN(c1ccc(OCC3CC[NH2+]CC3)nn1)[C@@H]2COCC[NH+]1CCCC1 ZINC001164718238 720201454 /nfs/dbraw/zinc/20/14/54/720201454.db2.gz YXQUWGPDMFWQLK-HXUWFJFHSA-N 2 0 456.595 1.200 20 0 JDADRP Cn1nnc2c1CCN(c1ccc(OCC3CC[NH2+]CC3)nn1)[C@H]2COCC[NH+]1CCCC1 ZINC001164718237 720201752 /nfs/dbraw/zinc/20/17/52/720201752.db2.gz YXQUWGPDMFWQLK-FQEVSTJZSA-N 2 0 456.595 1.200 20 0 JDADRP CNC(=O)[C@@]12CN(c3cc(OC4CC[NH+](C)CC4)cc[nH+]3)C[C@@H]1N(c1ncccn1)CCC2 ZINC001164870159 721207213 /nfs/dbraw/zinc/20/72/13/721207213.db2.gz UBORODHCIKOAOG-RDPSFJRHSA-N 2 0 451.575 1.566 20 0 JDADRP COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ncccc1C(=O)N1CC[NH2+]CC1)CC2 ZINC001164788663 721463229 /nfs/dbraw/zinc/46/32/29/721463229.db2.gz VLLILKHNJKVAGB-JOCHJYFZSA-N 2 0 471.646 1.861 20 0 JDADRP O=S1(=O)Cc2cn(-c3ccc(C[NH+]4CCCC4)cn3)c(=NCC3CC3)nc2[C@H]2C[NH2+]C[C@@H]21 ZINC001164793646 721475556 /nfs/dbraw/zinc/47/55/56/721475556.db2.gz XFBOFLJJULPUCN-PMACEKPBSA-N 2 0 454.600 1.158 20 0 JDADRP O=S1(=O)Cc2cn(-c3ccc(C[NH+]4CCCC4)cn3)c(=NCC3CC3)nc2[C@H]2C[NH2+]C[C@H]21 ZINC001164793648 721475579 /nfs/dbraw/zinc/47/55/79/721475579.db2.gz XFBOFLJJULPUCN-VQTJNVASSA-N 2 0 454.600 1.158 20 0 JDADRP O=S1(=O)Cc2cn(-c3cccc(OCC[NH+]4CCCC4)n3)c(=NCC3CC3)nc2[C@@H]2C[NH2+]C[C@H]21 ZINC001164792409 721475619 /nfs/dbraw/zinc/47/56/19/721475619.db2.gz NNWJKMTZWADGCD-WOJBJXKFSA-N 2 0 484.626 1.036 20 0 JDADRP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@H]2CN(c3nc(S(C)(=O)=O)nc4c3CC[NH2+]CC4)C[C@@H]21 ZINC001165017801 721800053 /nfs/dbraw/zinc/80/00/53/721800053.db2.gz ASBJJPQSURVDTH-RBDMOPTHSA-N 2 0 470.643 1.700 20 0 JDADRP CCC[N@@H+]1CC[C@@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC([NH2+]C(C)C)CC2)C1 ZINC001500922886 1069331384 /nfs/dbraw/zinc/33/13/84/1069331384.db2.gz SAOMCBAGLPPDEQ-QZTJIDSGSA-N 2 0 455.673 1.587 20 0 JDADRP CCC[NH+]1CCC(Cn2c(-c3cnccn3)nnc2N2CCN(C(=O)C[NH+](CC)CC)CC2)CC1 ZINC001500936885 1069333589 /nfs/dbraw/zinc/33/35/89/1069333589.db2.gz WGAKAJVAMSXGKW-UHFFFAOYSA-N 2 0 483.665 1.848 20 0 JDADRP CCC[NH+]1CCC(N(C)c2nnc(CN3CCCC3=O)n2C[C@@H](C)N2CC[NH+](CC)CC2)CC1 ZINC001500983762 1069344791 /nfs/dbraw/zinc/34/47/91/1069344791.db2.gz PSKBDRQQDCRGNZ-OAQYLSRUSA-N 2 0 474.698 1.737 20 0 JDADRP CCC[N@@H+]1CCC[C@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001501056345 1069371068 /nfs/dbraw/zinc/37/10/68/1069371068.db2.gz UXHLFRKOBGQKOP-SFTDATJTSA-N 2 0 497.710 1.263 20 0 JDADRP CC[NH+](CC)[C@@H](C)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC001501793341 1069719251 /nfs/dbraw/zinc/71/92/51/1069719251.db2.gz YYJVBYAEBOWIIC-FQEVSTJZSA-N 2 0 471.654 1.690 20 0 JDADRP CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001501801794 1069730415 /nfs/dbraw/zinc/73/04/15/1069730415.db2.gz IRCSHRFHIJDTHQ-HKBOAZHASA-N 2 0 497.710 1.406 20 0 JDADRP CC[NH+](CC)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](C)[N@H+](C)C2CC2)CC1 ZINC001501896124 1069757548 /nfs/dbraw/zinc/75/75/48/1069757548.db2.gz YDLHWECMFTYAMY-QZTJIDSGSA-N 2 0 452.669 1.974 20 0 JDADRP CC[NH+](CC)C1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](C)[N@H+](C)C2CC2)CC1 ZINC001501896126 1069758022 /nfs/dbraw/zinc/75/80/22/1069758022.db2.gz YDLHWECMFTYAMY-ZWKOTPCHSA-N 2 0 452.669 1.974 20 0 JDADRP CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cnccn3)n2C[C@@H](C)C[NH+]2CCCC2)CC1 ZINC001501903548 1069770279 /nfs/dbraw/zinc/77/02/79/1069770279.db2.gz AEOABQZGWVMYMZ-FQEVSTJZSA-N 2 0 469.638 1.457 20 0 JDADRP CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cccnc3)n2CCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC001501903577 1069770332 /nfs/dbraw/zinc/77/03/32/1069770332.db2.gz BFRMKGMFGRAMLA-FGZHOGPDSA-N 2 0 498.676 1.830 20 0 JDADRP CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cnn(C)c3)n2CC[N@H+](C)C2CCCC2)CC1 ZINC001501903597 1069770612 /nfs/dbraw/zinc/77/06/12/1069770612.db2.gz BYCVPPNRRKNZRK-UHFFFAOYSA-N 2 0 471.654 1.543 20 0 JDADRP CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cnccn3)n2CCC[N@@H+]2CCCO[C@H](C)C2)CC1 ZINC001501903635 1069771215 /nfs/dbraw/zinc/77/12/15/1069771215.db2.gz DFQQBIXGWZCDTQ-OAQYLSRUSA-N 2 0 499.664 1.226 20 0 JDADRP CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC(C)(C)C[NH+]2CCCC2)CC1 ZINC001501903699 1069773582 /nfs/dbraw/zinc/77/35/82/1069773582.db2.gz GAWMLBFGINPSCT-HXUWFJFHSA-N 2 0 488.681 1.342 20 0 JDADRP CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cnn(C)c3)n2CC[NH+]2CCCCC2)CC1 ZINC001501903848 1069775448 /nfs/dbraw/zinc/77/54/48/1069775448.db2.gz LJFUVSBGGNJVLN-UHFFFAOYSA-N 2 0 457.627 1.155 20 0 JDADRP CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001501904161 1069779710 /nfs/dbraw/zinc/77/97/10/1069779710.db2.gz XADISVRWANZPIN-JOCHJYFZSA-N 2 0 485.681 1.789 20 0 JDADRP CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cccn3C)n2CC[N@@H+]2CCC[C@H]2C)CC1 ZINC001501904133 1069779943 /nfs/dbraw/zinc/77/99/43/1069779943.db2.gz WAJLCKPSHHKXMD-HXUWFJFHSA-N 2 0 456.639 1.758 20 0 JDADRP CC[NH+](CC)CC(=O)N1CCN(c2nnc(Cc3ccccn3)n2CC2([NH+](C)C)CCC2)CC1 ZINC001501906366 1069782933 /nfs/dbraw/zinc/78/29/33/1069782933.db2.gz BDMXFRUEWLCZBU-UHFFFAOYSA-N 2 0 468.650 1.739 20 0 JDADRP CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccccn3)n2CCC[N@@H+]2CCCO[C@@H](C)C2)CC1 ZINC001501904224 1069782269 /nfs/dbraw/zinc/78/22/69/1069782269.db2.gz ZAXZVXGIFMHIQK-QFIPXVFZSA-N 2 0 498.676 1.831 20 0 JDADRP CC[NH+](CC)CC(=O)N1CCN(c2nnc(CC(C)C)n2C[C@]2([NH+](C)C)CCSC2)CC1 ZINC001501906650 1069787786 /nfs/dbraw/zinc/78/77/86/1069787786.db2.gz KHZJHILPWCNIJA-HSZRJFAPSA-N 2 0 465.712 1.904 20 0 JDADRP CC[NH+](CC)CC(=O)N1CCN(c2nnc(CC(C)C)n2C[C@@]2([NH+](C)C)CCSC2)CC1 ZINC001501906651 1069788284 /nfs/dbraw/zinc/78/82/84/1069788284.db2.gz KHZJHILPWCNIJA-QHCPKHFHSA-N 2 0 465.712 1.904 20 0 JDADRP CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@H]3CCCOC3)n2CC(C)(C)C[NH+](C)C)CC1 ZINC001501906642 1069788336 /nfs/dbraw/zinc/78/83/36/1069788336.db2.gz KFUUAUMOFYPCBV-FQEVSTJZSA-N 2 0 463.671 1.750 20 0 JDADRP CC[NH+](CC)CC(=O)N1CCN(c2nnc(Cc3ccncc3)n2CC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC001501910068 1069800014 /nfs/dbraw/zinc/80/00/14/1069800014.db2.gz MMMPDTAMRPDFPP-QFIPXVFZSA-N 2 0 482.677 1.986 20 0 JDADRP CC[NH+](CC)CC(=O)N1CCN(c2nnc(Cc3ccncc3)n2CC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001501910067 1069800058 /nfs/dbraw/zinc/80/00/58/1069800058.db2.gz MMMPDTAMRPDFPP-JOCHJYFZSA-N 2 0 482.677 1.986 20 0 JDADRP CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@H]3CCCO3)n2CC2(O)CC[NH+](C(C)C)CC2)CC1 ZINC001501910286 1069800475 /nfs/dbraw/zinc/80/04/75/1069800475.db2.gz QPYJETQPVFEUJY-OAQYLSRUSA-N 2 0 491.681 1.355 20 0 JDADRP CC[NH+](CC)C[C@@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCN2CC[N@H+](C)C(C)(C)C2)C1 ZINC001501921623 1069802283 /nfs/dbraw/zinc/80/22/83/1069802283.db2.gz FODSJANBPANUJX-NRFANRHFSA-N 2 0 474.698 1.708 20 0 JDADRP CC[NH+](CC)CCCn1c(-c2cnccn2)nnc1N1C[C@H](C)[C@H]([N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC001501951572 1069806033 /nfs/dbraw/zinc/80/60/33/1069806033.db2.gz BGXAOSOPNZRGHR-NZQKXSOJSA-N 2 0 483.665 1.846 20 0 JDADRP CC[NH+](CC)CCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC001501954556 1069806736 /nfs/dbraw/zinc/80/67/36/1069806736.db2.gz DNJQGXJPRGZWGK-UXHICEINSA-N 2 0 483.683 1.017 20 0 JDADRP CC[NH+](CC)CCCn1c(CN2CCCC2=O)nnc1N1CC[N@@H+](C2CCOCC2)C[C@@H]1C ZINC001501962440 1069808474 /nfs/dbraw/zinc/80/84/74/1069808474.db2.gz SLZSAHLVOZILIC-FQEVSTJZSA-N 2 0 461.655 1.822 20 0 JDADRP CC[N@H+](CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H]([NH+]2CCCCC2)C1)C(C)C ZINC001502185723 1069846848 /nfs/dbraw/zinc/84/68/48/1069846848.db2.gz NHZKDFFYXZEQEY-OALUTQOASA-N 2 0 455.673 1.683 20 0 JDADRP CC[N@H+](CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1)C(C)C ZINC001502185724 1069846862 /nfs/dbraw/zinc/84/68/62/1069846862.db2.gz NHZKDFFYXZEQEY-RBUKOAKNSA-N 2 0 455.673 1.683 20 0 JDADRP CC[N@H+](CCn1c(-c2cccnc2)nnc1N1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1)C(C)C ZINC001502193722 1069849809 /nfs/dbraw/zinc/84/98/09/1069849809.db2.gz NPJLUVIXRIZONH-OAQYLSRUSA-N 2 0 454.623 1.813 20 0 JDADRP O=C(NCC1([NH+]2CCSCC2)CCCCC1)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001477874874 1069871829 /nfs/dbraw/zinc/87/18/29/1069871829.db2.gz TXTDGFMFYJZLGT-NRFANRHFSA-N 2 0 453.697 1.834 20 0 JDADRP CC[N@@H+]1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2C[NH+](CC(C)C)CCO2)C[C@@H]1C ZINC001502244046 1069915676 /nfs/dbraw/zinc/91/56/76/1069915676.db2.gz BBXUEMIHOWTZRH-MUGJNUQGSA-N 2 0 485.699 1.164 20 0 JDADRP CC[N@@H+]1C[C@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2CC2([NH+](C)C)CCOCC2)C[C@@H]1C ZINC001502245002 1069917362 /nfs/dbraw/zinc/91/73/62/1069917362.db2.gz NRWJXLXRXFLPQT-OALUTQOASA-N 2 0 470.622 1.955 20 0 JDADRP CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCC[NH+]2CCC(C)CC2)C[C@@H]1C ZINC001502245429 1069921953 /nfs/dbraw/zinc/92/19/53/1069921953.db2.gz SNUWEQLPWACOCM-SLFFLAALSA-N 2 0 469.700 1.929 20 0 JDADRP CC[N@@H+]1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](C)C[NH+]2CCCC2)C[C@H]1C ZINC001502245434 1069922690 /nfs/dbraw/zinc/92/26/90/1069922690.db2.gz SOUXLVRXLPFYQS-YRXWBPOGSA-N 2 0 455.673 1.539 20 0 JDADRP C[NH+](C)CC(C)(C)CNC(=O)C1CCN(C(=O)NC2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC1 ZINC001478204429 1069926118 /nfs/dbraw/zinc/92/61/18/1069926118.db2.gz SFTMPSSCRCLZDB-RTWAWAEBSA-N 2 0 451.656 1.490 20 0 JDADRP CC[N@@H+]1CC[C@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@H](C[NH+]3CCCCC3)C2)C1 ZINC001502270401 1069985817 /nfs/dbraw/zinc/98/58/17/1069985817.db2.gz LKOUMCQZMKYIIF-AQNXPRMDSA-N 2 0 467.684 1.542 20 0 JDADRP CC[N@@H+]1CC[C@@H](Cn2c(C(=O)NC(C)C)nnc2N2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)C1 ZINC001502270686 1069989436 /nfs/dbraw/zinc/98/94/36/1069989436.db2.gz REWRXLFKKIVMLU-RTWAWAEBSA-N 2 0 460.671 1.363 20 0 JDADRP CC[N@@H+]1CC[C@@H](Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[NH+](C(C)(C)C)CC2)C1 ZINC001502276257 1070003438 /nfs/dbraw/zinc/00/34/38/1070003438.db2.gz OEAPDDGFWNVUKG-UXHICEINSA-N 2 0 497.710 1.263 20 0 JDADRP CC[N@@H+]1CC[C@@H](Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[NH+](C(C)(C)C)CC2)C1 ZINC001502276259 1070003631 /nfs/dbraw/zinc/00/36/31/1070003631.db2.gz OEAPDDGFWNVUKG-WOJBJXKFSA-N 2 0 497.710 1.263 20 0 JDADRP CC[N@@H+]1CCC[C@@H]1Cn1c(C(=O)NC(C)C)nnc1N1C[C@@H](C)[C@H]([NH+]2CCCN(C(C)=O)CC2)C1 ZINC001502282052 1070016452 /nfs/dbraw/zinc/01/64/52/1070016452.db2.gz RDLOMBBIYCTKCU-CEMLEFRQSA-N 2 0 488.681 1.280 20 0 JDADRP CC[N@@H+]1CCC[C@@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC001502281531 1070013380 /nfs/dbraw/zinc/01/33/80/1070013380.db2.gz JMRPAYDTTHDLIL-PKOBYXMFSA-N 2 0 453.657 1.437 20 0 JDADRP CC[N@@H+]1CCC[C@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC001502281530 1070013731 /nfs/dbraw/zinc/01/37/31/1070013731.db2.gz JMRPAYDTTHDLIL-MJGOQNOKSA-N 2 0 453.657 1.437 20 0 JDADRP CC[NH+](CC)CC(=O)N1CCN(c2nnc(C(C)C)n2C[C@H](C)N2CC[NH+](CC)CC2)CC1 ZINC001502309548 1070066675 /nfs/dbraw/zinc/06/66/75/1070066675.db2.gz HNRIDRJDSXODHZ-NRFANRHFSA-N 2 0 462.687 1.418 20 0 JDADRP CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](C)N2CC[NH+](CC)CC2)C1 ZINC001502313366 1070087902 /nfs/dbraw/zinc/08/79/02/1070087902.db2.gz CTPWXHAUWJZPTN-FSSWDIPSSA-N 2 0 495.738 1.374 20 0 JDADRP CC[NH+](CC)CC(=O)N1CCN(c2nnc(C3CCC3)n2C[C@@H](C)N2CC[NH+](CC)CC2)CC1 ZINC001502313654 1070089752 /nfs/dbraw/zinc/08/97/52/1070089752.db2.gz IOPFFAPCDLEPNQ-OAQYLSRUSA-N 2 0 474.698 1.562 20 0 JDADRP CC[NH+]1CCN([C@H](C)Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC([NH2+]C(C)C)CC2)CC1 ZINC001502314406 1070093388 /nfs/dbraw/zinc/09/33/88/1070093388.db2.gz UWNXYBOMYSZJTI-WOJBJXKFSA-N 2 0 481.711 1.173 20 0 JDADRP CC[N@@H+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@]2([NH+](C)C)CCSC2)C[C@@H]1C ZINC001502318226 1070128415 /nfs/dbraw/zinc/12/84/15/1070128415.db2.gz WRFDUGHOXVBDKU-HTAPYJJXSA-N 2 0 458.636 1.893 20 0 JDADRP CC[N@@H+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@]2([NH+](C)C)CCSC2)C[C@@H]1C ZINC001502318227 1070128744 /nfs/dbraw/zinc/12/87/44/1070128744.db2.gz WRFDUGHOXVBDKU-JTSKRJEESA-N 2 0 458.636 1.893 20 0 JDADRP CC[N@@H+]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@]2(O)CC[NH+](C)C2)C[C@@H]1C ZINC001502317870 1070125994 /nfs/dbraw/zinc/12/59/94/1070125994.db2.gz PNCSRYQXPSQKQB-SBUREZEXSA-N 2 0 476.025 1.459 20 0 JDADRP CC[N@@H+]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@]2(O)CC[NH+](C)C2)C[C@H]1C ZINC001502317871 1070126814 /nfs/dbraw/zinc/12/68/14/1070126814.db2.gz PNCSRYQXPSQKQB-UZUQRXQVSA-N 2 0 476.025 1.459 20 0 JDADRP CC[N@@H+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@]2([NH+](C)C)CCSC2)C[C@H]1C ZINC001502318228 1070127578 /nfs/dbraw/zinc/12/75/78/1070127578.db2.gz WRFDUGHOXVBDKU-VGOFRKELSA-N 2 0 458.636 1.893 20 0 JDADRP CC[N@@H+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[NH+]2CCCC(C)(C)C2)C[C@H]1C ZINC001502318811 1070130903 /nfs/dbraw/zinc/13/09/03/1070130903.db2.gz GTTFPAILVGSBAU-MSOLQXFVSA-N 2 0 455.673 1.541 20 0 JDADRP CC[N@@H+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCC[NH+]2CCC[C@@H](C)C2)C[C@H]1C ZINC001502319140 1070132067 /nfs/dbraw/zinc/13/20/67/1070132067.db2.gz LKKKGPAZBVDTRB-AQNXPRMDSA-N 2 0 469.700 1.931 20 0 JDADRP CC[N@@H+]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@@H](C)[NH+](C)C)C[C@@H]1C ZINC001502320687 1070138210 /nfs/dbraw/zinc/13/82/10/1070138210.db2.gz MVVGDSZPPYKIDA-MSOLQXFVSA-N 2 0 463.652 1.676 20 0 JDADRP CC[N@@H+]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C)[NH+]2CCC[C@H](C)C2)C[C@@H]1C ZINC001502327333 1070151501 /nfs/dbraw/zinc/15/15/01/1070151501.db2.gz MDTHDMPZBQYTPI-TUFLPTIASA-N 2 0 497.710 1.262 20 0 JDADRP CC[N@@H+]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCC[NH+]2CCC(C)CC2)C[C@@H]1C ZINC001502327956 1070158347 /nfs/dbraw/zinc/15/83/47/1070158347.db2.gz WYHLGZMNOOBEEN-SFTDATJTSA-N 2 0 497.710 1.263 20 0 JDADRP CC[N@@H+]1CCN(c2nnc(CNC(=O)c3cccs3)n2CC[NH+]2CCSCC2)C[C@H]1C ZINC001502329968 1070163910 /nfs/dbraw/zinc/16/39/10/1070163910.db2.gz LXUYUVCSPCVOIB-QGZVFWFLSA-N 2 0 463.677 1.849 20 0 JDADRP CC[NH+]1CCN([C@H]2CCN(c3nnc(C(=O)N4CCCC4)n3CCC[N@H+](C)C(C)C)C2)CC1 ZINC001502332012 1070168157 /nfs/dbraw/zinc/16/81/57/1070168157.db2.gz BGZBUCWNVHMGFU-NRFANRHFSA-N 2 0 460.671 1.461 20 0 JDADRP CC[NH+]1CCN([C@@H]2CCN(c3nnc([C@@H]4CCC(=O)N4)n3C[C@H](CC(C)C)[NH+](C)C)C2)CC1 ZINC001502334673 1070188391 /nfs/dbraw/zinc/18/83/91/1070188391.db2.gz NMLNTJWZDREIRN-HKBOAZHASA-N 2 0 460.671 1.422 20 0 JDADRP CC[NH+]1CCN([C@@H]2CCN(c3nnc([C@@H]4CCC(=O)N4)n3C[C@@H](CC(C)C)[NH+](C)C)C2)CC1 ZINC001502334675 1070188675 /nfs/dbraw/zinc/18/86/75/1070188675.db2.gz NMLNTJWZDREIRN-NJYVYQBISA-N 2 0 460.671 1.422 20 0 JDADRP CCN1CC[NH+](C[C@@H](C)Cn2c(-c3cccn3C)nnc2N2CC[N@H+](CCOC)[C@H](C)C2)CC1 ZINC001502341380 1070227452 /nfs/dbraw/zinc/22/74/52/1070227452.db2.gz VAYFSDZBQOXJRW-FGZHOGPDSA-N 2 0 472.682 1.714 20 0 JDADRP CCN1CC[NH+](C[C@H](C)Cn2c([C@H]3CCOC3)nnc2N2CC[N@H+](CCOC)[C@@H](C)C2)CC1 ZINC001502343770 1070243388 /nfs/dbraw/zinc/24/33/88/1070243388.db2.gz UGLNGOVHXDGJMX-FKBYEOEOSA-N 2 0 463.671 1.213 20 0 JDADRP CCN1CC[NH+](C[C@H](C)Cn2c(CN3CCCC3=O)nnc2N2CC[NH+](C(C)C)CC2)CC1 ZINC001502345426 1070251025 /nfs/dbraw/zinc/25/10/25/1070251025.db2.gz BFTGKHXFGDNMMG-NRFANRHFSA-N 2 0 460.671 1.205 20 0 JDADRP CC[NH+]1CCN(CCCn2c(C(=O)Nc3ccccn3)nnc2N2C[C@H](C)[N@H+](CC)C[C@H]2C)CC1 ZINC001502352931 1070276023 /nfs/dbraw/zinc/27/60/23/1070276023.db2.gz SNKVOMFKOWUUMD-LEWJYISDSA-N 2 0 483.665 1.872 20 0 JDADRP CC[NH+]1CCN(CCCn2c(C(=O)Nc3ccccn3)nnc2N2C[C@@H](C)[N@H+](CC)C[C@@H]2C)CC1 ZINC001502352933 1070278302 /nfs/dbraw/zinc/27/83/02/1070278302.db2.gz SNKVOMFKOWUUMD-RTWAWAEBSA-N 2 0 483.665 1.872 20 0 JDADRP CC[NH+]1CCN(CCCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)CC1 ZINC001502355527 1070287459 /nfs/dbraw/zinc/28/74/59/1070287459.db2.gz ZHHGHMUJHZKXBZ-FQEVSTJZSA-N 2 0 498.742 1.227 20 0 JDADRP CC[NH+]1CCN(CCCn2c(N3CCN(C(=O)C[NH+]4CCCC4)CC3)nnc2C(C)(C)C)CC1 ZINC001502360206 1070301182 /nfs/dbraw/zinc/30/11/82/1070301182.db2.gz JUROWMMFMYSHBN-UHFFFAOYSA-N 2 0 474.698 1.348 20 0 JDADRP C[C@H]1CCC[N@H+](CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[NH+](C(C)(C)C)CC2)C1 ZINC001493804761 1070351021 /nfs/dbraw/zinc/35/10/21/1070351021.db2.gz IDFXYYNIKKAMBG-PMACEKPBSA-N 2 0 497.710 1.263 20 0 JDADRP CC(C)[NH2+]C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](C)[NH+]2CCC(C)CC2)CC1 ZINC001493861289 1070363963 /nfs/dbraw/zinc/36/39/63/1070363963.db2.gz FHKLWQHHOBCUHT-RBUKOAKNSA-N 2 0 469.700 1.976 20 0 JDADRP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1CCC[NH+]1CCC(C)CC1 ZINC001494054769 1070381596 /nfs/dbraw/zinc/38/15/96/1070381596.db2.gz HXSUXDUGXGHNCF-IBGZPJMESA-N 2 0 469.700 1.931 20 0 JDADRP C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](CC3CC3)CC2)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001494097422 1070392710 /nfs/dbraw/zinc/39/27/10/1070392710.db2.gz UHZHTLRXCASMNE-GUDVDZBRSA-N 2 0 497.710 1.308 20 0 JDADRP CC(C)NC(=O)c1nnc(N2CC[NH+](C3CCC3)C[C@@H](C)C2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001494139100 1070430947 /nfs/dbraw/zinc/43/09/47/1070430947.db2.gz CZZSFVRKFTYGMN-HXUWFJFHSA-N 2 0 474.698 1.753 20 0 JDADRP CC(C)NC(=O)c1nnc(N2CC[NH+](C3CCC3)C[C@H](C)C2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001494139099 1070431391 /nfs/dbraw/zinc/43/13/91/1070431391.db2.gz CZZSFVRKFTYGMN-FQEVSTJZSA-N 2 0 474.698 1.753 20 0 JDADRP CC(C)NC(=O)c1nnc(N2CC[NH+](C3CCC3)C[C@@H](C)C2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001494142232 1070438330 /nfs/dbraw/zinc/43/83/30/1070438330.db2.gz UJNVPXQCLUIVHQ-CTNGQTDRSA-N 2 0 461.655 1.574 20 0 JDADRP CC(C)[N@@H+]1CCCN(c2nnc(C(=O)N3CCCC3)n2CCC[NH+]2CCCO[C@H](C)C2)CC1 ZINC001494518198 1070609056 /nfs/dbraw/zinc/60/90/56/1070609056.db2.gz HCJGQJDRRUWEEE-OAQYLSRUSA-N 2 0 461.655 1.936 20 0 JDADRP CC(C)c1nnc(N2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001494520948 1070613423 /nfs/dbraw/zinc/61/34/23/1070613423.db2.gz WQLFRXGTYIGIAV-QHAWAJNXSA-N 2 0 461.655 1.644 20 0 JDADRP CCOC(=O)N1CCN(c2nnc(CC)n2CCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC001502502663 1070620857 /nfs/dbraw/zinc/62/08/57/1070620857.db2.gz QBERNVGXIOKVMN-UHFFFAOYSA-N 2 0 456.595 1.726 20 0 JDADRP C[C@H]1C[N@H+](CCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC[NH+](C(C)(C)C)CC2)CCCO1 ZINC001494532878 1070626153 /nfs/dbraw/zinc/62/61/53/1070626153.db2.gz ZUARHCKXRITXSC-LEWJYISDSA-N 2 0 496.722 1.992 20 0 JDADRP CC[C@H](C)[N@H+](C)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H]([NH+]2CCCCC2)C1 ZINC001496116479 1070830942 /nfs/dbraw/zinc/83/09/42/1070830942.db2.gz ODYDBTPHHBZJPQ-OTWHNJEPSA-N 2 0 455.673 1.683 20 0 JDADRP CCO[C@@]1(c2nnc(N3CC[N@H+](CCOC)[C@H](C)C3)n2CC2(SC)CC[NH+](C)CC2)CCOC1 ZINC001502725479 1070835253 /nfs/dbraw/zinc/83/52/53/1070835253.db2.gz JUWLOACFADTJIY-YKSBVNFPSA-N 2 0 496.722 1.915 20 0 JDADRP CCO[C@]1(c2nnc(N3CC[NH+](CCOC)[C@H](C)C3)n2C[C@@H]2CCCC[N@@H+]2CC)CCOC1 ZINC001502726632 1070838051 /nfs/dbraw/zinc/83/80/51/1070838051.db2.gz YVFMSCAYCROQJH-ZFGGDYGUSA-N 2 0 464.655 1.962 20 0 JDADRP COc1ccc(-c2nnc(N3CCC([NH2+]C(C)C)CC3)n2C[C@]2(O)CC[N@H+](C)C2)c(OC)c1 ZINC001504183667 1070868079 /nfs/dbraw/zinc/86/80/79/1070868079.db2.gz RHNDTFCRRYGOTP-DEOSSOPVSA-N 2 0 458.607 1.996 20 0 JDADRP COc1ccc(-c2nnc(N3CCN(C(=O)C[NH+]4CCCC4)CC3)n2C[C@H](C)[NH+](C)C)cc1OC ZINC001504198226 1070875987 /nfs/dbraw/zinc/87/59/87/1070875987.db2.gz RSDSNGWDYCBQIP-IBGZPJMESA-N 2 0 485.633 1.657 20 0 JDADRP CCOCc1nnc(N2C[C@H]([N@@H+]3CCCN(C(C)=O)CC3)[C@@H](C)C2)n1CC[NH+]1CCC[C@@H]1C ZINC001503029487 1070979880 /nfs/dbraw/zinc/97/98/80/1070979880.db2.gz AEGJRGSXLUFLHZ-ONTIZHBOSA-N 2 0 461.655 1.678 20 0 JDADRP CCOCc1nnc(N2C[C@H]([N@@H+]3CCCN(C(C)=O)CC3)[C@@H](C)C2)n1CC1([NH+](C)C)CCC1 ZINC001503033319 1070988765 /nfs/dbraw/zinc/98/87/65/1070988765.db2.gz MBCUIZIAAGAIJS-FPOVZHCZSA-N 2 0 461.655 1.678 20 0 JDADRP CCOCc1nnc(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001503099909 1071048224 /nfs/dbraw/zinc/04/82/24/1071048224.db2.gz ZOGAFYACOPUGAV-FQEVSTJZSA-N 2 0 461.655 1.822 20 0 JDADRP CCOCc1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1CC(C)(C)[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC001503099521 1071046593 /nfs/dbraw/zinc/04/65/93/1071046593.db2.gz NLKMUSLFQYJGPO-SFTDATJTSA-N 2 0 491.681 1.447 20 0 JDADRP COc1cccc([C@@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[NH+](C(C)C)CC2)[NH+](C)C)c1 ZINC001504323170 1071056859 /nfs/dbraw/zinc/05/68/59/1071056859.db2.gz AMQXSZQLKJWHMZ-GHTZIAJQSA-N 2 0 493.678 1.730 20 0 JDADRP COc1cccc([C@@H](Cn2c(C(=O)NC(C)C)nnc2N2CC[NH+](C[C@H]3CCOC3)CC2)[NH+](C)C)c1 ZINC001504323462 1071057729 /nfs/dbraw/zinc/05/77/29/1071057729.db2.gz CJNTVKRUWFFJBB-NFBKMPQASA-N 2 0 499.660 1.886 20 0 JDADRP CCOCc1nnc(N2CC[N@@H+](C3CCOCC3)C[C@H]2C)n1C[C@@H](C)C[NH+]1CCN(CC)CC1 ZINC001503109799 1071064592 /nfs/dbraw/zinc/06/45/92/1071064592.db2.gz PIJIVPUECKWFBK-FCHUYYIVSA-N 2 0 477.698 1.778 20 0 JDADRP CCOCc1nnc(N2CC[NH+](CC3CCOCC3)CC2)n1CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC001503115224 1071075935 /nfs/dbraw/zinc/07/59/35/1071075935.db2.gz LFODJFYINPCJFO-NRFANRHFSA-N 2 0 464.655 1.864 20 0 JDADRP COc1ccccc1-c1nnc(N2CC[NH+](C3CCOCC3)CC2)n1CCOCC[NH+](C)C ZINC001504391462 1071127487 /nfs/dbraw/zinc/12/74/87/1071127487.db2.gz YFGXWPCGNRAKSE-UHFFFAOYSA-N 2 0 458.607 1.833 20 0 JDADRP CCOCC[N@@H+]1CCN(c2nnc([C@@H]3CCOC3)n2CC2(O)CC[NH+](C(C)C)CC2)C[C@H]1CC ZINC001503224507 1071191573 /nfs/dbraw/zinc/19/15/73/1071191573.db2.gz UHMSNTKGERSHSS-FGZHOGPDSA-N 2 0 478.682 1.954 20 0 JDADRP CCOCC[N@@H+]1CCN(c2nnc([C@H]3CCOC3)n2CC2(O)CC[NH+](C(C)C)CC2)C[C@@H]1CC ZINC001503224508 1071192413 /nfs/dbraw/zinc/19/24/13/1071192413.db2.gz UHMSNTKGERSHSS-VXKWHMMOSA-N 2 0 478.682 1.954 20 0 JDADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCn1c(N2CCC[NH+](Cc3cnn(C)c3)CC2)nnc1C(C)(C)C ZINC001503357214 1071557426 /nfs/dbraw/zinc/55/74/26/1071557426.db2.gz HLZLTWJSPMHHEI-QFIPXVFZSA-N 2 0 499.708 1.964 20 0 JDADRP C[NH+](C)CC(C)(C)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC(C[NH+]2CCOCC2)CC1 ZINC001503400517 1071661676 /nfs/dbraw/zinc/66/16/76/1071661676.db2.gz UVHMKMKGURHLTO-HXUWFJFHSA-N 2 0 482.695 1.317 20 0 JDADRP C[NH+](C)CCOCCn1c(-c2ccccc2Cl)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001503403081 1071668780 /nfs/dbraw/zinc/66/87/80/1071668780.db2.gz LDRVVDPGNAFEIH-UHFFFAOYSA-N 2 0 490.052 1.921 20 0 JDADRP C[NH+](C)CCOCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001503403120 1071668798 /nfs/dbraw/zinc/66/87/98/1071668798.db2.gz UOIUVFQDHCPWNR-OAQYLSRUSA-N 2 0 490.674 1.991 20 0 JDADRP C[NH+](C)CCOCCn1c([C@@H]2CCCCO2)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC001503404336 1071670999 /nfs/dbraw/zinc/67/09/99/1071670999.db2.gz JRAFODPBTXWONE-RTWAWAEBSA-N 2 0 450.628 1.647 20 0 JDADRP COCCC[N@H+](C)CCn1c(C(C)C)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCCN(C(C)=O)CC2)C1 ZINC001504811804 1071683387 /nfs/dbraw/zinc/68/33/87/1071683387.db2.gz QOUNPDGLPKHBSO-IRLDBZIGSA-N 2 0 463.671 1.749 20 0 JDADRP COCC[N@H+](C)CCCn1c(-c2cnccn2)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCCN(C(C)=O)CC2)C1 ZINC001504850524 1071748360 /nfs/dbraw/zinc/74/83/60/1071748360.db2.gz GNDYXNLNHBNLIK-OFNKIYASSA-N 2 0 499.664 1.082 20 0 JDADRP COCC[N@H+](C)CCCn1c(-c2ccccn2)nnc1N1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001504851320 1071750260 /nfs/dbraw/zinc/75/02/60/1071750260.db2.gz LDUNXSUNRMRJOU-OAQYLSRUSA-N 2 0 470.622 1.051 20 0 JDADRP COCC[N@H+](C)CCn1c(-c2cccnc2)nnc1N1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC001504855673 1071767389 /nfs/dbraw/zinc/76/73/89/1071767389.db2.gz LZZWPMMPAAFBAA-UHFFFAOYSA-N 2 0 470.666 1.913 20 0 JDADRP COCC[N@H+](C)CCn1c(C(=O)Nc2ccccn2)nnc1N1CC[NH+](C2CCOCC2)C[C@H]1C ZINC001504856438 1071770748 /nfs/dbraw/zinc/77/07/48/1071770748.db2.gz ZVBLEOKSGFVKAI-LJQANCHMSA-N 2 0 486.621 1.193 20 0 JDADRP COCC[N@H+](C)CCn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N1CC[NH+](C(C)C)CC1 ZINC001504857777 1071779099 /nfs/dbraw/zinc/77/90/99/1071779099.db2.gz RSXIGBXAPZNWKZ-UHFFFAOYSA-N 2 0 454.579 1.703 20 0 JDADRP COCC[N@@H+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@]2([NH+](C)C)CCSC2)C[C@@H]1C ZINC001504909996 1071863303 /nfs/dbraw/zinc/86/33/03/1071863303.db2.gz JNUXLKKGVHIINO-OYDLWJJNSA-N 2 0 496.722 1.913 20 0 JDADRP COCC[N@@H+]1CCN(c2nnc(-c3cccnc3)n2CCC[NH+]2CCCO[C@@H](C)C2)C[C@@H]1C ZINC001504914707 1071875454 /nfs/dbraw/zinc/87/54/54/1071875454.db2.gz PTWQRVCQLQDCNQ-SFTDATJTSA-N 2 0 457.623 1.998 20 0 JDADRP COCC[N@@H+]1CCN(c2nnc(-c3cccnc3)n2CCC[NH+]2CCCO[C@H](C)C2)C[C@@H]1C ZINC001504914697 1071875500 /nfs/dbraw/zinc/87/55/00/1071875500.db2.gz PTWQRVCQLQDCNQ-LEWJYISDSA-N 2 0 457.623 1.998 20 0 JDADRP COCC[N@@H+]1CCN(c2nnc(-c3cnn(C)c3)n2Cc2cccc(C[NH+](C)C)c2)C[C@H]1C ZINC001504914737 1071876086 /nfs/dbraw/zinc/87/60/86/1071876086.db2.gz QEMRNNQWAWXQJG-LJQANCHMSA-N 2 0 452.607 1.945 20 0 JDADRP COCC[N@@H+]1CCN(c2nnc(-c3cccc(C)n3)n2CCC[NH+]2CCC[C@@H]2C(=O)N(C)C)C[C@@H]1C ZINC001504917196 1071883101 /nfs/dbraw/zinc/88/31/01/1071883101.db2.gz OSTAONKUUSUHFL-JTHBVZDNSA-N 2 0 498.676 1.748 20 0 JDADRP COCC[N@@H+]1CCN(c2nnc(-c3ccccn3)n2CCC[NH+]2C[C@H](C)O[C@@H](C)C2)C[C@H]1C ZINC001504915876 1071878691 /nfs/dbraw/zinc/87/86/91/1071878691.db2.gz OWHCICMGIWXRGY-HKBOAZHASA-N 2 0 457.623 1.996 20 0 JDADRP COCC[N@@H+]1CCN(c2nnc(-c3ccccn3)n2CCC[NH+]2CCC[C@@H]2C(=O)N(C)C)C[C@H]1C ZINC001504916002 1071879224 /nfs/dbraw/zinc/87/92/24/1071879224.db2.gz PKLQLGGDKCDPNG-IFMALSPDSA-N 2 0 484.649 1.440 20 0 JDADRP COCC[N@@H+]1CCN(c2nnc(-c3cnccn3)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC001504916288 1071880151 /nfs/dbraw/zinc/88/01/51/1071880151.db2.gz FESJIPZMCTYHTE-UFYCRDLUSA-N 2 0 472.638 1.780 20 0 JDADRP COCC[N@@H+]1CCN(c2nnc([C@H]3CCOC3)n2CC2(O)CC[NH+](C(C)C)CC2)C[C@H]1C ZINC001504921349 1071895428 /nfs/dbraw/zinc/89/54/28/1071895428.db2.gz WMAYPMCFFCMMIW-UXHICEINSA-N 2 0 450.628 1.174 20 0 JDADRP COCC[N@@H+]1CCN(c2nnc(CNC(=O)c3cccs3)n2CC[NH+]2CCC[C@@H]2C)C[C@@H]1C ZINC001504924712 1071909687 /nfs/dbraw/zinc/90/96/87/1071909687.db2.gz FFPGOOCCRZWWJL-OALUTQOASA-N 2 0 475.663 1.911 20 0 JDADRP COCCO[C@H](C)c1nnc(N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)n1CC1([NH+](C)C)CCOCC1 ZINC001504949680 1071994547 /nfs/dbraw/zinc/99/45/47/1071994547.db2.gz IUHLDBIAWPXHQU-ZCNNSNEGSA-N 2 0 450.628 1.786 20 0 JDADRP COCCO[C@H](C)c1nnc(N2CC[NH+](C3CCC3)CC2)n1CC1([NH+](C)C)CCOCC1 ZINC001504996081 1072067088 /nfs/dbraw/zinc/06/70/88/1072067088.db2.gz UQEMODRZWIHICU-LJQANCHMSA-N 2 0 450.628 1.787 20 0 JDADRP COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC([NH2+]C(C)C)CC2)n1CCC[NH+]1CCC(O)CC1 ZINC001505072566 1072182667 /nfs/dbraw/zinc/18/26/67/1072182667.db2.gz RQODYDYRFVCDQE-UGKGYDQZSA-N 2 0 464.655 1.816 20 0 JDADRP C[NH+](C)CCNS(=O)(=O)c1cccc(NC(=O)CC[NH+]2CCN(c3ccccc3)CC2)c1 ZINC001466769320 1067917190 /nfs/dbraw/zinc/91/71/90/1067917190.db2.gz SLNVEMKCTPCMQW-UHFFFAOYSA-N 2 0 459.616 1.677 20 0 JDADRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)N2CC[C@@H]([NH+]3CCN(C)CC3)[C@H](C)C2)CC1 ZINC001467604744 1068036240 /nfs/dbraw/zinc/03/62/40/1068036240.db2.gz ZIJFPESVEUUAKZ-RCZVLFRGSA-N 2 0 456.679 1.992 20 0 JDADRP C[NH+]1CCN(c2ccc(CNC(=O)N[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3CO)cn2)CC1 ZINC001467905690 1068090687 /nfs/dbraw/zinc/09/06/87/1068090687.db2.gz ASNAXBJRPGDADX-PKTZIBPZSA-N 2 0 452.603 1.516 20 0 JDADRP C[NH+]1CCN(c2ccc(CNC(=O)N[C@H]3C[N@H+](Cc4ccccc4)CC[C@H]3CO)cn2)CC1 ZINC001467905687 1068091010 /nfs/dbraw/zinc/09/10/10/1068091010.db2.gz ASNAXBJRPGDADX-GOTSBHOMSA-N 2 0 452.603 1.516 20 0 JDADRP COCC[NH+]1CCC(NC(=O)N2CCC(C(=O)NCC[N@H+](C)Cc3ccccc3)CC2)CC1 ZINC001468280019 1068220543 /nfs/dbraw/zinc/22/05/43/1068220543.db2.gz OVYGRVZUKPQKMO-UHFFFAOYSA-N 2 0 459.635 1.767 20 0 JDADRP C[NH+]1CCN(Cc2cccc(CNC(=O)N3CCC(C(N)=O)([NH+]4CCCCC4)CC3)c2)CC1 ZINC001468581822 1068317771 /nfs/dbraw/zinc/31/77/71/1068317771.db2.gz KMOQOSVLBINIFY-UHFFFAOYSA-N 2 0 456.635 1.449 20 0 JDADRP NC(=O)C1CC[NH+](Cc2ccc(CNC(=O)NC3CC[NH+](C[C@H]4CCCO4)CC3)cc2)CC1 ZINC001468873387 1068384470 /nfs/dbraw/zinc/38/44/70/1068384470.db2.gz MEOTZYQUYTXNBE-HSZRJFAPSA-N 2 0 457.619 1.827 20 0 JDADRP COC1CC[NH+](C2(CNC(=O)NCC3(N4CCOCC4)CC[NH+](C)CC3)CCCC2)CC1 ZINC001468876276 1068384937 /nfs/dbraw/zinc/38/49/37/1068384937.db2.gz OPIZJDUIFSGWMO-UHFFFAOYSA-N 2 0 451.656 1.506 20 0 JDADRP C[NH+](C)CCOc1ccccc1N1CCN(C(=O)NC2CC[NH+](C[C@H]3CCOC3)CC2)CC1 ZINC001468910820 1068391891 /nfs/dbraw/zinc/39/18/91/1068391891.db2.gz VGUQGTCFVFSEFE-OAQYLSRUSA-N 2 0 459.635 1.960 20 0 JDADRP C[N@@H+]1CCC[C@H]1C(=O)N1CCN(C(=O)NCCc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC001469579650 1068551868 /nfs/dbraw/zinc/55/18/68/1068551868.db2.gz NIHICLFGSKJHDI-QHCPKHFHSA-N 2 0 457.619 1.652 20 0 JDADRP C[NH+](C)C[C@@H]1CN(C(=O)N[C@@H]2CCCN(Cc3ccc(F)cc3F)C2=O)C[C@H]1C[NH+](C)C ZINC001469849173 1068603199 /nfs/dbraw/zinc/60/31/99/1068603199.db2.gz FRGZPFUOJCPVSF-DBXWQHBBSA-N 2 0 451.562 1.837 20 0 JDADRP C[NH+](C)C[C@@H]1CN(C(=O)CCN2C(=O)COc3cc(Br)ccc32)C[C@H]1C[NH+](C)C ZINC001471109399 1068836537 /nfs/dbraw/zinc/83/65/37/1068836537.db2.gz QWWDSOWVSRXZDO-HZPDHXFCSA-N 2 0 467.408 1.762 20 0 JDADRP C[NH+](C)C[C@@H]1CN(C(=O)C2CCN(S(=O)(=O)/C=C\c3ccccc3)CC2)C[C@H]1C[NH+](C)C ZINC001471111880 1068836955 /nfs/dbraw/zinc/83/69/55/1068836955.db2.gz YLZVZFVLIJIJKS-WOAORWQVSA-N 2 0 462.660 1.897 20 0 JDADRP C[NH+](C)C[C@@H]1CN(C(=O)C2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)C[C@H]1C[NH+](C)C ZINC001471111879 1068837010 /nfs/dbraw/zinc/83/70/10/1068837010.db2.gz YLZVZFVLIJIJKS-SPARBRMESA-N 2 0 462.660 1.897 20 0 JDADRP Cc1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1C(=O)N1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC001471937304 1068932864 /nfs/dbraw/zinc/93/28/64/1068932864.db2.gz ZJOZCTRIDNTECO-LJQANCHMSA-N 2 0 459.616 1.971 20 0 JDADRP CC[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2CC2(SC)CC[NH+](C)CC2)CC[N@@H+]1CCOC ZINC001499642512 1069023781 /nfs/dbraw/zinc/02/37/81/1069023781.db2.gz NZXYKERRYMLHTH-LJQANCHMSA-N 2 0 481.711 1.791 20 0 JDADRP CC[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@H](C)C2)CC[N@@H+]1CCOC ZINC001499721111 1069050516 /nfs/dbraw/zinc/05/05/16/1069050516.db2.gz BOMDJSXSDMWDSF-NCYKPQTJSA-N 2 0 491.681 1.664 20 0 JDADRP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](CCC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001473142867 1069079833 /nfs/dbraw/zinc/07/98/33/1069079833.db2.gz BCOXKZIOSJOYOD-NHCUHLMSSA-N 2 0 451.656 1.946 20 0 JDADRP O=C(C[NH+]1CCC(C(=O)NCCC[NH+]2CCCCC2)CC1)N1CCN(Cc2ccco2)CC1 ZINC001473296114 1069119038 /nfs/dbraw/zinc/11/90/38/1069119038.db2.gz IHISNSDGRWXCAA-UHFFFAOYSA-N 2 0 459.635 1.628 20 0 JDADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCC[C@H](N3CCN(C(=O)OC(C)(C)C)CC3=O)C2)CC1 ZINC001473400658 1069139534 /nfs/dbraw/zinc/13/95/34/1069139534.db2.gz SGKSZCFUPYWMAR-NRFANRHFSA-N 2 0 451.656 1.946 20 0 JDADRP CCC[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2CC[NH+]2CCC[C@H]2C)CC[N@@H+]1CCOC ZINC001500223871 1069217472 /nfs/dbraw/zinc/21/74/72/1069217472.db2.gz NTAUPZLUNCQSGH-RTWAWAEBSA-N 2 0 461.655 1.936 20 0 JDADRP Cc1n[nH]c(C)c1S(=O)(=O)N1CCC([NH2+]Cc2ccncc2OCCC[NH+](C)C)CC1 ZINC001474558497 1069247454 /nfs/dbraw/zinc/24/74/54/1069247454.db2.gz QIXWJCSJMKOFGV-UHFFFAOYSA-N 2 0 450.609 1.695 20 0 JDADRP CCCC[N@H+](C)CCn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001500415810 1069248404 /nfs/dbraw/zinc/24/84/04/1069248404.db2.gz SAXJRHRLWMQXBH-NRFANRHFSA-N 2 0 461.655 1.996 20 0 JDADRP CCC[N@H+](C)C[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCC[NH+]2CCCO[C@H](C)C2)C1 ZINC001500716780 1069302184 /nfs/dbraw/zinc/30/21/84/1069302184.db2.gz MXRJPMUQFKLDQF-QHAWAJNXSA-N 2 0 461.655 1.898 20 0 JDADRP CCC[N@H+](C)C[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC[NH+]2CCCO[C@@H](C)C2)C1 ZINC001500720135 1069302626 /nfs/dbraw/zinc/30/26/26/1069302626.db2.gz CQPAJCLTJGRZLS-FKBYEOEOSA-N 2 0 496.722 1.849 20 0 JDADRP CCC[N@H+](C)C[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CC2(O)CC[NH+](C(C)C)CC2)C1 ZINC001500726051 1069305773 /nfs/dbraw/zinc/30/57/73/1069305773.db2.gz TVQVVBSPARQWNC-NRFANRHFSA-N 2 0 475.682 1.804 20 0 JDADRP CCOC(=O)c1cc(Br)cc(S(=O)(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1 ZINC001474930412 1069308009 /nfs/dbraw/zinc/30/80/09/1069308009.db2.gz DZSNBFIPWUVPDR-UHFFFAOYSA-N 2 0 450.399 1.740 20 0 JDADRP CCC[N@H+](CC)CCn1c(C(=O)N2CCCC2)nnc1N1CCC(C[NH+]2CCOCC2)CC1 ZINC001500773242 1069308890 /nfs/dbraw/zinc/30/88/90/1069308890.db2.gz XTSRFPPZVDGYDR-UHFFFAOYSA-N 2 0 461.655 1.795 20 0 JDADRP CC(=O)N1CCC[N@@H+]([C@@H]2CN(c3nnc(C)n3CC(C)(C)[NH+]3C[C@@H](C)O[C@@H](C)C3)C[C@@H]2C)CC1 ZINC001508231806 1072997508 /nfs/dbraw/zinc/99/75/08/1072997508.db2.gz IWTTYZHJWJJBIT-XFGYDDDFSA-N 2 0 475.682 1.853 20 0 JDADRP CC(=O)N1CCC[N@@H+]([C@@H]2CN(c3nnc(C)n3CC(C)(C)[NH+]3C[C@H](C)O[C@@H](C)C3)C[C@H]2C)CC1 ZINC001508231805 1072997785 /nfs/dbraw/zinc/99/77/85/1072997785.db2.gz IWTTYZHJWJJBIT-QTDGGUCWSA-N 2 0 475.682 1.853 20 0 JDADRP CC(=O)N1CCC[N@@H+]([C@@H]2CN(c3nnc(C)n3Cc3ccc(OCC[NH+](C)C)cc3)C[C@H]2C)CC1 ZINC001508233667 1073002057 /nfs/dbraw/zinc/00/20/57/1073002057.db2.gz RCMDSPZMLKVIJX-CJFMBICVSA-N 2 0 483.661 1.954 20 0 JDADRP CC(C)[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[NH+](C(C)C)CC1)[NH+]1CCCC1 ZINC001508875725 1073435912 /nfs/dbraw/zinc/43/59/12/1073435912.db2.gz RKKKWKKPYLQMET-LEWJYISDSA-N 2 0 497.710 1.262 20 0 JDADRP CC(C)C[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](C)C[NH+]2CCCCC2)CC1 ZINC001509404106 1073580470 /nfs/dbraw/zinc/58/04/70/1073580470.db2.gz JYDUMWJXNPJACA-PMACEKPBSA-N 2 0 469.700 1.788 20 0 JDADRP CC(C)C[N@@H+]1CCC[C@@H](Cn2c(C(=O)NC(C)C)nnc2N2CC[NH+](C[C@H]3CCOC3)CC2)C1 ZINC001509410115 1073589106 /nfs/dbraw/zinc/58/91/06/1073589106.db2.gz ZUBMGXLQWPOFFF-FGZHOGPDSA-N 2 0 475.682 1.943 20 0 JDADRP CC(C)C[N@@H+]1CCC[C@@H](Cn2c(C(=O)NC(C)C)nnc2N2CC[NH+](C[C@@H]3CCOC3)CC2)C1 ZINC001509410117 1073589250 /nfs/dbraw/zinc/58/92/50/1073589250.db2.gz ZUBMGXLQWPOFFF-YADHBBJMSA-N 2 0 475.682 1.943 20 0 JDADRP CC(C)C[N@@H+]1CCO[C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC[NH+](C(C)(C)C)CC2)C1 ZINC001509431944 1073609577 /nfs/dbraw/zinc/60/95/77/1073609577.db2.gz GBWJNSNIKGOBPP-PMACEKPBSA-N 2 0 499.726 1.556 20 0 JDADRP CC(C)[N@H+](C)CCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001509513998 1073659071 /nfs/dbraw/zinc/65/90/71/1073659071.db2.gz OBYOIZVUWUWRMJ-VSKRKVRLSA-N 2 0 474.698 1.954 20 0 JDADRP CC(C)[NH+]1CCC(N2CCN(c3nnc(CC(C)(C)C)n3C[C@]3(O)CC[N@H+](C)C3)CC2)CC1 ZINC001509547321 1073673431 /nfs/dbraw/zinc/67/34/31/1073673431.db2.gz IVCHMRQXDWVDDM-VWLOTQADSA-N 2 0 461.699 1.928 20 0 JDADRP CC(C)[N@@H+]1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2CCC[NH+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC001509561297 1073682727 /nfs/dbraw/zinc/68/27/27/1073682727.db2.gz RAEBAGOMRVMXNG-PMACEKPBSA-N 2 0 474.654 1.092 20 0 JDADRP CC(C)[N@@H+]1CCCN(c2nnc(-c3nn(C)c(=O)c4ccccc43)n2CCOCC[NH+](C)C)CC1 ZINC001509560306 1073682978 /nfs/dbraw/zinc/68/29/78/1073682978.db2.gz KIEGDDZXSJEXBQ-UHFFFAOYSA-N 2 0 482.633 1.691 20 0 JDADRP CC(C)[N@@H+]1CCCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCC[NH+]2CCCC2)CC1 ZINC001509562234 1073683829 /nfs/dbraw/zinc/68/38/29/1073683829.db2.gz WXUCCRFDCPSDIS-FQEVSTJZSA-N 2 0 483.683 1.017 20 0 JDADRP CC(C)[NH+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2CCC[NH+]2CCC(O)CC2)CC1 ZINC001509575802 1073691940 /nfs/dbraw/zinc/69/19/40/1073691940.db2.gz WVGKKWNDKUMJFM-UHFFFAOYSA-N 2 0 456.595 1.303 20 0 JDADRP CC(C)[NH+]1CCN(c2nnc(CNC(=O)c3cccs3)n2CCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC001509582366 1073705804 /nfs/dbraw/zinc/70/58/04/1073705804.db2.gz RBUKSWCEUMTJDJ-UHFFFAOYSA-N 2 0 488.706 1.826 20 0 JDADRP CC(C)(C)C(=O)Nc1ccnc(N2CCCO[C@]3(C[NH2+]CCOC3)C2)c1C[N@@H+]1CC[C@H](CO)C1 ZINC001164425824 718914995 /nfs/dbraw/zinc/91/49/95/718914995.db2.gz VOWCNNJRSIWRTD-UQBPGWFLSA-N 2 0 475.634 1.466 20 0 JDADRP C[NH+]1CCC(Oc2cc[nH+]c(N3C[C@@H]4CCCO[C@H]4[C@@H](NC(=O)c4cnccn4)C3)c2)CC1 ZINC001164709932 720056389 /nfs/dbraw/zinc/05/63/89/720056389.db2.gz CCIVAFVJCSJXFW-JWNTYJGQSA-N 2 0 452.559 1.758 20 0 JDADRP Cn1nnc2c1CCN(c1cccc(OCC[NH+]3CCCC3)n1)[C@H]2COCC[NH+]1CCCC1 ZINC001164717091 720192922 /nfs/dbraw/zinc/19/29/22/720192922.db2.gz SBBXBICUEVCKGD-NRFANRHFSA-N 2 0 455.607 1.901 20 0 JDADRP Cn1cnc2c1[C@H](COCCN1CCOCC1)CN(c1cc(OC3CC[NH+](C)CC3)cc[nH+]1)C2 ZINC001164834071 720479539 /nfs/dbraw/zinc/47/95/39/720479539.db2.gz RHLNVULLPYVQKE-FQEVSTJZSA-N 2 0 470.618 1.741 20 0 JDADRP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@H]2CN(c3nc(S(C)(=O)=O)nc4c3CC[NH2+]CC4)CC[C@@H]21 ZINC001164839425 720507706 /nfs/dbraw/zinc/50/77/06/720507706.db2.gz UECDPTZAWXXVQQ-WFXMLNOXSA-N 2 0 473.647 1.143 20 0 JDADRP O=C(c1cccnc1N1CC[C@@H]2[C@@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1)N1CC[NH2+]CC1 ZINC001164746649 720837430 /nfs/dbraw/zinc/83/74/30/720837430.db2.gz PVLFJCIDCVJPJC-JAXLGGSGSA-N 2 0 450.591 1.098 20 0 JDADRP c1ncn(C[C@@H]2C[C@@H]3CN(c4ccc(OCC5CC[NH2+]CC5)nn4)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164748773 720854619 /nfs/dbraw/zinc/85/46/19/720854619.db2.gz MCUNRAOAVIYFOH-BHIFYINESA-N 2 0 452.607 1.826 20 0 JDADRP CN1CC[C@@]2(CN(S(C)(=O)=O)CC23CCN(c2cc(OC4CC[NH+](C)CC4)cc[nH+]2)CC3)C1=O ZINC001164753795 720942211 /nfs/dbraw/zinc/94/22/11/720942211.db2.gz SZYACIZJYMHTFH-XMMPIXPASA-N 2 0 491.658 1.265 20 0 JDADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CC[C@@]4(C3)C[C@@H](NC(=O)c3cnccn3)CCO4)c2)CC1 ZINC001164869048 721216183 /nfs/dbraw/zinc/21/61/83/721216183.db2.gz AUQZWNCWFLBNAD-UUOWRZLLSA-N 2 0 452.559 1.903 20 0 JDADRP CN(C)C(=O)C[N@@H+]1CCOCC2(CCN(c3nc(Cl)cc(C4CC[NH2+]CC4)n3)CC2)C1 ZINC001164868995 721268289 /nfs/dbraw/zinc/26/82/89/721268289.db2.gz IPGLQZOVEKAUMO-UHFFFAOYSA-N 2 0 451.015 1.604 20 0 JDADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CCO[C@@H]4[C@@H](CNC(=O)c5ccnnc5)CC[C@@H]43)c2)CC1 ZINC001164877095 721323732 /nfs/dbraw/zinc/32/37/32/721323732.db2.gz JDPHRTWBGQLFDZ-FRGLQRNOSA-N 2 0 452.559 1.758 20 0 JDADRP COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ccc(N3CC[NH+](C)CC3)nn1)CC2 ZINC001164786748 721451543 /nfs/dbraw/zinc/45/15/43/721451543.db2.gz NKELXNIUMGKIIK-QFIPXVFZSA-N 2 0 458.651 1.962 20 0 JDADRP CCC[NH+]1CCC(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC[N@@H+](C(C)C)CC2)CC1 ZINC001500921334 1069330560 /nfs/dbraw/zinc/33/05/60/1069330560.db2.gz IGJIAPMPTBNSSL-LJQANCHMSA-N 2 0 469.700 1.931 20 0 JDADRP CCC[NH+]1CCC(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@H]3CCC[N@@H+]3C[C@H]2C)CC1 ZINC001500921967 1069330646 /nfs/dbraw/zinc/33/06/46/1069330646.db2.gz MMDIIEUXVBXXEP-WSTZPKSXSA-N 2 0 467.684 1.683 20 0 JDADRP CCC[NH+]1CCC(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@@H]3CCC[N@@H+]3C[C@@H]2C)CC1 ZINC001500921964 1069330819 /nfs/dbraw/zinc/33/08/19/1069330819.db2.gz MMDIIEUXVBXXEP-BJLQDIEVSA-N 2 0 467.684 1.683 20 0 JDADRP CCC[NH+]1CCC(N(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[N@H+]2CC=CCC2)CC1 ZINC001500964409 1069341440 /nfs/dbraw/zinc/34/14/40/1069341440.db2.gz OWBJTFONLRUKGA-GOSISDBHSA-N 2 0 453.657 1.461 20 0 JDADRP CCC[NH+]1CCC(N(C)c2nnc(CN3CCCC3=O)n2C[C@H](C)N2CC[NH+](CC)CC2)CC1 ZINC001500983761 1069344919 /nfs/dbraw/zinc/34/49/19/1069344919.db2.gz PSKBDRQQDCRGNZ-NRFANRHFSA-N 2 0 474.698 1.737 20 0 JDADRP CCC[N@@H+]1CCC[C@H]1Cn1c(C(=O)NC(C)C)nnc1N1CCC(C[NH+]2CCOCC2)CC1 ZINC001501037878 1069367330 /nfs/dbraw/zinc/36/73/30/1069367330.db2.gz QDPJBLJKHFJSMO-NRFANRHFSA-N 2 0 461.655 1.839 20 0 JDADRP C[NH+]1CCN(CCNS(=O)(=O)[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2c2ccc(F)cc2)CC1 ZINC001475199001 1069393421 /nfs/dbraw/zinc/39/34/21/1069393421.db2.gz VRIFXRSWNYWAOZ-BJKOFHAPSA-N 2 0 460.619 1.961 20 0 JDADRP CCCNC(=O)Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CC[NH+](C(C)C)CC1 ZINC001501215898 1069464475 /nfs/dbraw/zinc/46/44/75/1069464475.db2.gz UMDWBPPKJKJWQY-UHFFFAOYSA-N 2 0 482.677 1.699 20 0 JDADRP C[NH+](C)C[C@@H]1CN(S(=O)(=O)c2cc3c(cc2Br)CCC(=O)N3)C[C@H]1C[NH+](C)C ZINC001475575185 1069497194 /nfs/dbraw/zinc/49/71/94/1069497194.db2.gz BQLANAWVLABKKX-HUUCEWRRSA-N 2 0 473.437 1.694 20 0 JDADRP CC[NH+](CC)[C@@H](C)Cn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001501799809 1069725354 /nfs/dbraw/zinc/72/53/54/1069725354.db2.gz YRDBSBQUJLDCCH-AZUAARDMSA-N 2 0 457.627 1.152 20 0 JDADRP CC[NH+](CC)C1CCN(c2nnc(CN3CCCC3=O)n2CC2([NH+](C)C)CCOCC2)CC1 ZINC001501897696 1069758218 /nfs/dbraw/zinc/75/82/18/1069758218.db2.gz NEYOITWITVMNRG-UHFFFAOYSA-N 2 0 461.655 1.822 20 0 JDADRP CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@H]3CCOC3)n2CC2(SC)CC[NH+](C)CC2)CC1 ZINC001501906549 1069786946 /nfs/dbraw/zinc/78/69/46/1069786946.db2.gz IALNGEVLAXDFRI-FQEVSTJZSA-N 2 0 493.722 1.600 20 0 JDADRP CC[NH+](CC)CC(=O)N1CCN(c2nnc(C3CCCC3)n2CCN2CC[N@H+](C)C(C)(C)C2)CC1 ZINC001501907550 1069794834 /nfs/dbraw/zinc/79/48/34/1069794834.db2.gz XHKUKOUZQIRFOX-UHFFFAOYSA-N 2 0 488.725 1.952 20 0 JDADRP CC[NH+](CC)CC(=O)N1CCN(c2nnc([C@@H]3CCCCO3)n2CCC[NH+]2CCC(O)CC2)CC1 ZINC001501907536 1069795525 /nfs/dbraw/zinc/79/55/25/1069795525.db2.gz WUBLXMNQZWFDPH-QFIPXVFZSA-N 2 0 491.681 1.357 20 0 JDADRP CC[NH+](CC)C[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2CCN2CC[N@H+](C)C(C)(C)C2)C1 ZINC001501921624 1069802262 /nfs/dbraw/zinc/80/22/62/1069802262.db2.gz FODSJANBPANUJX-OAQYLSRUSA-N 2 0 474.698 1.708 20 0 JDADRP CC[NH+](CC)C[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC[N@@H+]2CCCO[C@H](C)C2)C1 ZINC001501934980 1069803818 /nfs/dbraw/zinc/80/38/18/1069803818.db2.gz PBIMLOIABUVBTF-FSSWDIPSSA-N 2 0 496.722 1.849 20 0 JDADRP CN1CC[NH+](CC2(C)CCN(C(=O)NCc3ccc(CN4CC[NH+](C)CC4)cc3)CC2)CC1 ZINC001477393207 1069818263 /nfs/dbraw/zinc/81/82/63/1069818263.db2.gz GWXIBVNXDYPSMF-UHFFFAOYSA-N 2 0 456.679 1.993 20 0 JDADRP O=C(NCCN1CC[NH+](Cc2ccccc2)CC1)NCc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC001477472144 1069825799 /nfs/dbraw/zinc/82/57/99/1069825799.db2.gz PXYIUMZJSHHSTE-VWLOTQADSA-N 2 0 451.615 1.870 20 0 JDADRP CC[NH+](CC)CCOc1ccc(CNC(=O)N2CC[N@H+](C)C[C@@H](C(=O)OC)C2)cc1OC ZINC001477532912 1069830674 /nfs/dbraw/zinc/83/06/74/1069830674.db2.gz XTRUZJIOLVWROW-LJQANCHMSA-N 2 0 450.580 1.662 20 0 JDADRP CCS(=O)(=O)c1ccc(N2CCC(NC(=O)N3C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C3)CC2)cc1 ZINC001477638105 1069840990 /nfs/dbraw/zinc/84/09/90/1069840990.db2.gz JAUDHTIWZVDHPQ-WOJBJXKFSA-N 2 0 479.691 1.830 20 0 JDADRP CC[N@H+](CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[NH+](C(C)(C)C)CC1)C1CC1 ZINC001502186813 1069848817 /nfs/dbraw/zinc/84/88/17/1069848817.db2.gz RVCNKLSCIZCLGA-KRWDZBQOSA-N 2 0 455.673 1.683 20 0 JDADRP CC[N@H+](CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@H](C)[NH+](CC)C[C@H]1C)C(C)C ZINC001502199232 1069854377 /nfs/dbraw/zinc/85/43/77/1069854377.db2.gz GYDZCYJWUYOSCK-ZCNNSNEGSA-N 2 0 485.699 1.260 20 0 JDADRP C[C@@H](CN1CC[NH+](C)CC1)NC(=O)NCC1([NH+]2CCN(c3ccccc3)CC2)CCOCC1 ZINC001477813167 1069862422 /nfs/dbraw/zinc/86/24/22/1069862422.db2.gz RSMPWNPLIRQXOD-QFIPXVFZSA-N 2 0 458.651 1.293 20 0 JDADRP CN(C)C(=O)CN(CC[NH+](C)C)C(=O)NCCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC001477815495 1069864517 /nfs/dbraw/zinc/86/45/17/1069864517.db2.gz MPEVAHXIEIVREI-UHFFFAOYSA-N 2 0 453.031 1.514 20 0 JDADRP NC(=O)[C@@H]1CCC[N@H+](Cc2cccc(CNC(=O)N3CC[NH+](CC4CCOCC4)CC3)c2)C1 ZINC001477841249 1069866510 /nfs/dbraw/zinc/86/65/10/1069866510.db2.gz DGHPKKWQZXXELR-HSZRJFAPSA-N 2 0 457.619 1.638 20 0 JDADRP CC[N@@H+]1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2C[NH+](CC(C)C)CCO2)C[C@H]1C ZINC001502244044 1069911867 /nfs/dbraw/zinc/91/18/67/1069911867.db2.gz BBXUEMIHOWTZRH-FYQPLNBISA-N 2 0 485.699 1.164 20 0 JDADRP CC[N@@H+]1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2C[NH+](CC(C)C)CCO2)C[C@@H]1C ZINC001502244045 1069914641 /nfs/dbraw/zinc/91/46/41/1069914641.db2.gz BBXUEMIHOWTZRH-LWYYNNOASA-N 2 0 485.699 1.164 20 0 JDADRP CC[N@@H+]1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2CCC[NH+]2CCC(C)CC2)C[C@@H]1C ZINC001502245430 1069922320 /nfs/dbraw/zinc/92/23/20/1069922320.db2.gz SNUWEQLPWACOCM-UFYCRDLUSA-N 2 0 469.700 1.929 20 0 JDADRP CC[N@@H+]1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](C)C[NH+]2CCCC2)C[C@H]1C ZINC001502245431 1069923265 /nfs/dbraw/zinc/92/32/65/1069923265.db2.gz SOUXLVRXLPFYQS-RDGPPVDQSA-N 2 0 455.673 1.539 20 0 JDADRP CC[N@@H+]1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](C)C[NH+]2CCCC2)C[C@@H]1C ZINC001502245432 1069923947 /nfs/dbraw/zinc/92/39/47/1069923947.db2.gz SOUXLVRXLPFYQS-VJANTYMQSA-N 2 0 455.673 1.539 20 0 JDADRP CC[N@@H+]1C[C@H](C)N(c2nnc([C@H]3CCC(=O)N3)n2CC2CC[NH+](CCN(C)C)CC2)C[C@@H]1C ZINC001502255980 1069946425 /nfs/dbraw/zinc/94/64/25/1069946425.db2.gz SFBUZYRNUQAGJT-IRFCIJBXSA-N 2 0 460.671 1.422 20 0 JDADRP CC[N@@H+]1C[C@@H](C)N(c2nnc([C@H]3OCC[C@H]3COC)n2CCN2CC[NH+](C)C(C)(C)C2)C[C@@H]1C ZINC001502265795 1069977277 /nfs/dbraw/zinc/97/72/77/1069977277.db2.gz XGADEYSKTMEMMN-LRSLUSHPSA-N 2 0 477.698 1.947 20 0 JDADRP CC[N@@H+]1C[C@H](C)N(c2nnc([C@H]3OCC[C@H]3COC)n2CCN2CC[NH+](C)C(C)(C)C2)C[C@H]1C ZINC001502265796 1069977592 /nfs/dbraw/zinc/97/75/92/1069977592.db2.gz XGADEYSKTMEMMN-MLNNCEHLSA-N 2 0 477.698 1.947 20 0 JDADRP CC[N@@H+]1CC[C@H](Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[NH+](C(C)(C)C)CC2)C1 ZINC001502276256 1070002889 /nfs/dbraw/zinc/00/28/89/1070002889.db2.gz OEAPDDGFWNVUKG-PMACEKPBSA-N 2 0 497.710 1.263 20 0 JDADRP CC[N@@H+]1CC[C@H](Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC[NH+](C(C)(C)C)CC2)C1 ZINC001502276258 1070003046 /nfs/dbraw/zinc/00/30/46/1070003046.db2.gz OEAPDDGFWNVUKG-VQTJNVASSA-N 2 0 497.710 1.263 20 0 JDADRP CC[N@@H+]1CCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[NH+](CCc2ccccc2)CC1 ZINC001502281658 1070013537 /nfs/dbraw/zinc/01/35/37/1070013537.db2.gz LCYCMRUWDUTYNP-IFMALSPDSA-N 2 0 489.690 1.737 20 0 JDADRP CC[N@@H+]1CCC[C@@H]1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC001502281529 1070013834 /nfs/dbraw/zinc/01/38/34/1070013834.db2.gz JMRPAYDTTHDLIL-IEBWSBKVSA-N 2 0 453.657 1.437 20 0 JDADRP NC(=O)C1CC[NH+](Cc2ccc(CNC(=O)N3CCC[C@@H]([NH2+]C4CCOCC4)C3)cc2)CC1 ZINC001478822270 1070057038 /nfs/dbraw/zinc/05/70/38/1070057038.db2.gz WZVDFCHJHQCDJY-HSZRJFAPSA-N 2 0 457.619 1.827 20 0 JDADRP CC[NH+](CC)CC(=O)N1CCN(c2nnc(C(C)C)n2C[C@@H](C)N2CC[NH+](CC)CC2)CC1 ZINC001502309549 1070067319 /nfs/dbraw/zinc/06/73/19/1070067319.db2.gz HNRIDRJDSXODHZ-OAQYLSRUSA-N 2 0 462.687 1.418 20 0 JDADRP CC[NH+]1CCN([C@@H](C)Cn2c([C@H]3CCC(=O)N3)nnc2N2CC[NH+](CCC(C)(C)C)CC2)CC1 ZINC001502312545 1070084606 /nfs/dbraw/zinc/08/46/06/1070084606.db2.gz OELSZOYHJRQXNY-LEWJYISDSA-N 2 0 474.698 1.813 20 0 JDADRP CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cccn3C)n2C[C@H](C)N2CC[NH+](CC)CC2)CC1 ZINC001502312420 1070083627 /nfs/dbraw/zinc/08/36/27/1070083627.db2.gz LQNPXOCCHXSFTB-QFIPXVFZSA-N 2 0 499.708 1.300 20 0 JDADRP C[NH+](C)CCN(Cc1ccc(F)c(F)c1)C(=O)N[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC001479178388 1070099673 /nfs/dbraw/zinc/09/96/73/1070099673.db2.gz UWKVUCUWWPYDMK-FQEVSTJZSA-N 2 0 453.578 1.835 20 0 JDADRP CC[NH+]1CCN([C@@H](C)Cn2c(CNC(=O)c3cccs3)nnc2N2CC[N@H+](CC)[C@H](C)C2)CC1 ZINC001502315706 1070104211 /nfs/dbraw/zinc/10/42/11/1070104211.db2.gz TTYOEIPNXNZKAR-UXHICEINSA-N 2 0 488.706 1.826 20 0 JDADRP CC[NH+]1CCN([C@H](C)Cn2c(CNC(=O)c3cccs3)nnc2N2CC[N@H+](CC)[C@@H](C)C2)CC1 ZINC001502315707 1070106156 /nfs/dbraw/zinc/10/61/56/1070106156.db2.gz TTYOEIPNXNZKAR-VQTJNVASSA-N 2 0 488.706 1.826 20 0 JDADRP CC[NH+]1CCN([C@H](C)Cn2c(CNC(=O)c3cccs3)nnc2N2CC[N@H+](CC)[C@H](C)C2)CC1 ZINC001502315708 1070106401 /nfs/dbraw/zinc/10/64/01/1070106401.db2.gz TTYOEIPNXNZKAR-WOJBJXKFSA-N 2 0 488.706 1.826 20 0 JDADRP CC[N@@H+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](C)[NH+]2CCc3ccccc3C2)C[C@H]1C ZINC001502317818 1070123264 /nfs/dbraw/zinc/12/32/64/1070123264.db2.gz OREJXXMBZFGTTA-AQNXPRMDSA-N 2 0 489.690 1.866 20 0 JDADRP CC[N@@H+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](C)[NH+]2CCc3ccccc3C2)C[C@H]1C ZINC001502317817 1070124132 /nfs/dbraw/zinc/12/41/32/1070124132.db2.gz OREJXXMBZFGTTA-AABGKKOBSA-N 2 0 489.690 1.866 20 0 JDADRP CC[N@@H+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2([NH+]3CCCC3)CCOCC2)C[C@H]1C ZINC001502318189 1070126500 /nfs/dbraw/zinc/12/65/00/1070126500.db2.gz WFWGQJIGXUSBOD-MOPGFXCFSA-N 2 0 483.683 1.064 20 0 JDADRP CC[N@@H+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[NH+]2CCCC(C)(C)C2)C[C@@H]1C ZINC001502318813 1070130233 /nfs/dbraw/zinc/13/02/33/1070130233.db2.gz GTTFPAILVGSBAU-ROUUACIJSA-N 2 0 455.673 1.541 20 0 JDADRP CC[N@@H+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCC[NH+]2CCC[C@@H](C)C2)C[C@@H]1C ZINC001502319139 1070132447 /nfs/dbraw/zinc/13/24/47/1070132447.db2.gz LKKKGPAZBVDTRB-AABGKKOBSA-N 2 0 469.700 1.931 20 0 JDADRP CC[N@@H+]1CCN(c2nnc([C@@H]3CCCN(C(=O)OC(C)(C)C)C3)n2C[C@]2(O)CC[NH+](C)C2)C[C@@H]1C ZINC001502326519 1070146167 /nfs/dbraw/zinc/14/61/67/1070146167.db2.gz YATYUNDDOVLYDU-DFIYOIEZSA-N 2 0 491.681 1.990 20 0 JDADRP CC[N@@H+]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C)[NH+]2CCC[C@@H](C)C2)C[C@@H]1C ZINC001502327331 1070150075 /nfs/dbraw/zinc/15/00/75/1070150075.db2.gz MDTHDMPZBQYTPI-ANULTFPQSA-N 2 0 497.710 1.262 20 0 JDADRP CC[N@@H+]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCC[NH+]2CCC(C)CC2)C[C@H]1C ZINC001502327954 1070157264 /nfs/dbraw/zinc/15/72/64/1070157264.db2.gz WYHLGZMNOOBEEN-NHCUHLMSSA-N 2 0 497.710 1.263 20 0 JDADRP CC[N@@H+]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCC[NH+]2CCC(C)CC2)C[C@H]1C ZINC001502327955 1070158007 /nfs/dbraw/zinc/15/80/07/1070158007.db2.gz WYHLGZMNOOBEEN-RTWAWAEBSA-N 2 0 497.710 1.263 20 0 JDADRP CC[NH+]1CCN([C@H]2CCN(c3nnc(C(=O)NC(C)C)n3CC(C)(C)C[NH+]3CCCC3)C2)CC1 ZINC001502331982 1070168232 /nfs/dbraw/zinc/16/82/32/1070168232.db2.gz AVNKPZCBLDZHBC-NRFANRHFSA-N 2 0 474.698 1.755 20 0 JDADRP CC[NH+]1CCN([C@H]2CCN(c3nnc(C(=O)NC(C)C)n3C[C@@H](C)C[NH+]3CCCC3)C2)CC1 ZINC001502332267 1070169293 /nfs/dbraw/zinc/16/92/93/1070169293.db2.gz HATGOYLCOKWXRT-SFTDATJTSA-N 2 0 460.671 1.364 20 0 JDADRP CC[N@@H+]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCCC[NH+]2CCOCC2)C[C@H]1C ZINC001502332087 1070169359 /nfs/dbraw/zinc/16/93/59/1070169359.db2.gz CUCYFWNRERHDKY-HKBOAZHASA-N 2 0 450.628 1.645 20 0 JDADRP C[NH+]1CCN(c2ccc(CCNC(=O)NC[C@]3(O)CC[N@H+](Cc4ccccc4)C3)cc2)CC1 ZINC001479604249 1070172934 /nfs/dbraw/zinc/17/29/34/1070172934.db2.gz NARDBISFFCCBHP-AREMUKBSSA-N 2 0 451.615 1.917 20 0 JDADRP CC[NH+]1CCN([C@@H]2CCN(c3nnc([C@H]4CCC(=O)N4)n3C[C@H](CC(C)C)[NH+](C)C)C2)CC1 ZINC001502334676 1070189065 /nfs/dbraw/zinc/18/90/65/1070189065.db2.gz NMLNTJWZDREIRN-QHAWAJNXSA-N 2 0 460.671 1.422 20 0 JDADRP CCN1CC[NH+](C[C@@H](C)Cn2c(-c3cccn3C)nnc2N2CC[N@H+](CCOC)[C@@H](C)C2)CC1 ZINC001502341382 1070227716 /nfs/dbraw/zinc/22/77/16/1070227716.db2.gz VAYFSDZBQOXJRW-YADHBBJMSA-N 2 0 472.682 1.714 20 0 JDADRP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+]3CCCC[C@H]3C2)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001493268106 1070272971 /nfs/dbraw/zinc/27/29/71/1070272971.db2.gz YGCQDEONCLZANP-WOZUAGRISA-N 2 0 481.711 1.931 20 0 JDADRP CC[NH+]1CCN(CCCn2c(C(C)C)nnc2N2C[C@H](C)[C@H]([N@@H+]3CCCN(C(C)=O)CC3)C2)CC1 ZINC001502352680 1070274687 /nfs/dbraw/zinc/27/46/87/1070274687.db2.gz KYWKKSUHVMYXSH-LADGPHEKSA-N 2 0 488.725 1.808 20 0 JDADRP CC[NH+]1CCN(CCCn2c(CN3CCCC3=O)nnc2N2CCC([NH2+]C(C)C)CC2)CC1 ZINC001502360907 1070304183 /nfs/dbraw/zinc/30/41/83/1070304183.db2.gz UNGVNPMVKFRIOJ-UHFFFAOYSA-N 2 0 460.671 1.395 20 0 JDADRP C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C3CCOCC3)CC2)n1C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001493690866 1070336254 /nfs/dbraw/zinc/33/62/54/1070336254.db2.gz LDZROQMHQKIGDC-HSALFYBXSA-N 2 0 497.710 1.310 20 0 JDADRP C[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[NH+](C2CCOCC2)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC001493690876 1070336435 /nfs/dbraw/zinc/33/64/35/1070336435.db2.gz LDZROQMHQKIGDC-VAMGGRTRSA-N 2 0 497.710 1.310 20 0 JDADRP CCNC(=O)CN1CCN(c2nnc(C(C)C)n2CCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC001502422733 1070364784 /nfs/dbraw/zinc/36/47/84/1070364784.db2.gz INSXSGMVHIRBAA-UHFFFAOYSA-N 2 0 483.665 1.267 20 0 JDADRP CC(C)[NH2+]C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](C)[NH+]2CCC(C)CC2)CC1 ZINC001493861288 1070363561 /nfs/dbraw/zinc/36/35/61/1070363561.db2.gz FHKLWQHHOBCUHT-OALUTQOASA-N 2 0 469.700 1.976 20 0 JDADRP CC(C)[NH2+]C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](C)[NH+]2CCC(C)CC2)CC1 ZINC001493861287 1070364044 /nfs/dbraw/zinc/36/40/44/1070364044.db2.gz FHKLWQHHOBCUHT-MOPGFXCFSA-N 2 0 469.700 1.976 20 0 JDADRP C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C[C@@H]3CCOC3)CC2)n1CCC[NH+]1CCC(C)CC1 ZINC001494054043 1070381659 /nfs/dbraw/zinc/38/16/59/1070381659.db2.gz AZORFXYSXDJUBR-RTWAWAEBSA-N 2 0 497.710 1.169 20 0 JDADRP C[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CCOCC[NH+](C)C)CC[N@@H+](C2CCC2)C1 ZINC001494152238 1070449204 /nfs/dbraw/zinc/44/92/04/1070449204.db2.gz STBXNKHDFUERAB-IBGZPJMESA-N 2 0 470.622 1.814 20 0 JDADRP C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+](C3CCC3)C[C@H](C)C2)n1CC[NH+]1CCSCC1 ZINC001494201260 1070488389 /nfs/dbraw/zinc/48/83/89/1070488389.db2.gz OAKXRQADILVEAE-ZWKOTPCHSA-N 2 0 485.724 1.248 20 0 JDADRP C[C@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCOCC[NH+](C)C)CC[N@@H+](C2CCC2)C1 ZINC001494348349 1070560116 /nfs/dbraw/zinc/56/01/16/1070560116.db2.gz UCDTUPDGUPVXQV-RTBURBONSA-N 2 0 468.668 1.069 20 0 JDADRP C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H]([NH+]3CCCC3)C2)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001494519259 1070611701 /nfs/dbraw/zinc/61/17/01/1070611701.db2.gz OATFKJAPASXLKJ-NJDAHSKKSA-N 2 0 497.710 1.454 20 0 JDADRP CC(C)c1nnc(N2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001494520941 1070613609 /nfs/dbraw/zinc/61/36/09/1070613609.db2.gz WQLFRXGTYIGIAV-HBMCJLEFSA-N 2 0 461.655 1.644 20 0 JDADRP CCO[C@]1(c2nnc(N3C[C@H](C)[N@H+](CC)C[C@@H]3C)n2C[C@H](C)N2CC[NH+](CC)CC2)CCOC1 ZINC001502664042 1070742572 /nfs/dbraw/zinc/74/25/72/1070742572.db2.gz GNEGYLGXGUGSPL-DEJKCJRPSA-N 2 0 477.698 1.875 20 0 JDADRP CC[C@H](C)c1nnc(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001495675636 1070813303 /nfs/dbraw/zinc/81/33/03/1070813303.db2.gz CDHMSCDWYJSLQO-LEWJYISDSA-N 2 0 475.682 1.770 20 0 JDADRP CCO[C@@]1(c2nnc(N3CCC[C@H](C[NH+]4CCOCC4)C3)n2CC[N@H+](C)C(C)C)CCOC1 ZINC001502708380 1070814195 /nfs/dbraw/zinc/81/41/95/1070814195.db2.gz RPPHSAUZPKYJBN-QPPBQGQZSA-N 2 0 464.655 1.819 20 0 JDADRP CC[C@@H](C)c1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001495695706 1070815665 /nfs/dbraw/zinc/81/56/65/1070815665.db2.gz KTSWBPDVXOYHMP-LEWJYISDSA-N 2 0 461.655 1.504 20 0 JDADRP CC[C@H](C)c1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1C[C@@H](C)C[NH+]1CCOCC1 ZINC001495695735 1070815872 /nfs/dbraw/zinc/81/58/72/1070815872.db2.gz KTSWBPDVXOYHMP-SFTDATJTSA-N 2 0 461.655 1.504 20 0 JDADRP CCO[C@@]1(c2nnc(N3CC[NH+](C(C)(C)C)CC3)n2C[C@H]2CCC[N@@H+]2CCCO)CCOC1 ZINC001502715605 1070823738 /nfs/dbraw/zinc/82/37/38/1070823738.db2.gz WRQZQTQXRIZPLD-YKSBVNFPSA-N 2 0 464.655 1.698 20 0 JDADRP CC[C@H](C)[N@H+](C)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001496116477 1070831033 /nfs/dbraw/zinc/83/10/33/1070831033.db2.gz ODYDBTPHHBZJPQ-IPMKNSEASA-N 2 0 455.673 1.683 20 0 JDADRP CCOCc1nnc(N2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)n1C[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001503098146 1071041865 /nfs/dbraw/zinc/04/18/65/1071041865.db2.gz JYYYHDUZGOYYHD-HBMCJLEFSA-N 2 0 461.655 1.678 20 0 JDADRP CCOCc1nnc(N2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)n1C[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC001503098147 1071042688 /nfs/dbraw/zinc/04/26/88/1071042688.db2.gz JYYYHDUZGOYYHD-HKBOAZHASA-N 2 0 461.655 1.678 20 0 JDADRP CCOCc1nnc(N2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)n1C[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC001503098145 1071041970 /nfs/dbraw/zinc/04/19/70/1071041970.db2.gz JYYYHDUZGOYYHD-ACRUOGEOSA-N 2 0 461.655 1.678 20 0 JDADRP CCOCc1nnc(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)n1C[C@H](c1ccco1)[NH+](C)C ZINC001503098201 1071043214 /nfs/dbraw/zinc/04/32/14/1071043214.db2.gz LQIYAPSQVYCONE-RTBURBONSA-N 2 0 459.595 1.453 20 0 JDADRP CCOCc1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1CC(C)(C)[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001503099517 1071046553 /nfs/dbraw/zinc/04/65/53/1071046553.db2.gz NLKMUSLFQYJGPO-NHCUHLMSSA-N 2 0 491.681 1.447 20 0 JDADRP COc1cccc([C@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[NH+](C(C)C)CC2)[NH+](C)C)c1 ZINC001504323171 1071057212 /nfs/dbraw/zinc/05/72/12/1071057212.db2.gz AMQXSZQLKJWHMZ-NQIIRXRSSA-N 2 0 493.678 1.730 20 0 JDADRP COc1cccc([C@H](Cn2c(C(=O)NC(C)C)nnc2N2CC[NH+](C[C@H]3CCOC3)CC2)[NH+](C)C)c1 ZINC001504323468 1071057711 /nfs/dbraw/zinc/05/77/11/1071057711.db2.gz CJNTVKRUWFFJBB-OFNKIYASSA-N 2 0 499.660 1.886 20 0 JDADRP COc1cccc([C@H](Cn2c(C(=O)NC(C)C)nnc2N2CC[NH+](C[C@@H]3CCOC3)CC2)[NH+](C)C)c1 ZINC001504323470 1071057852 /nfs/dbraw/zinc/05/78/52/1071057852.db2.gz CJNTVKRUWFFJBB-REWPJTCUSA-N 2 0 499.660 1.886 20 0 JDADRP CCOCc1nnc(N2CC[NH+](C3CCOCC3)C[C@@H]2C)n1CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC001503109638 1071063751 /nfs/dbraw/zinc/06/37/51/1071063751.db2.gz NNHGHVZUFYVLNY-RBBKRZOGSA-N 2 0 491.681 1.447 20 0 JDADRP CCOCc1nnc(N2CC[N@@H+](C3CCOCC3)C[C@H]2C)n1C[C@@H](C)N1CC[NH+](CC)CC1 ZINC001503109621 1071063834 /nfs/dbraw/zinc/06/38/34/1071063834.db2.gz MSYBVEAGCYHMGX-NHCUHLMSSA-N 2 0 463.671 1.530 20 0 JDADRP CCOCC[N@@H+]1CCN(c2nnc(C(=O)N3CCCC3)n2CC[NH+]2CC=CCC2)C[C@@H]1CC ZINC001503216023 1071164601 /nfs/dbraw/zinc/16/46/01/1071164601.db2.gz KXJHHLSICBGFLA-NRFANRHFSA-N 2 0 459.639 1.713 20 0 JDADRP COC1CC[NH+](C(C)(C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@H]3CCC[N@@H+]3C[C@@H]2C)CC1 ZINC001504489020 1071263013 /nfs/dbraw/zinc/26/30/13/1071263013.db2.gz DQSHKEZVOKDCEH-GBESFXJTSA-N 2 0 497.710 1.451 20 0 JDADRP COCC(=O)N1CCN(c2nnc(C(C)(C)C)n2CCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC001504529158 1071313496 /nfs/dbraw/zinc/31/34/96/1071313496.db2.gz XQGCVTXHJDNOSF-UHFFFAOYSA-N 2 0 484.649 1.478 20 0 JDADRP C[NH+](C)C1(Cn2c(C(=O)N3CCCC3)nnc2N2CCC[N@@H+](C(C)(C)C)CC2)CCOCC1 ZINC001503388379 1071646767 /nfs/dbraw/zinc/64/67/67/1071646767.db2.gz XBHILVHXKKJSRG-UHFFFAOYSA-N 2 0 461.655 1.936 20 0 JDADRP C[NH+](C)CC(C)(C)Cn1c(Cc2cccnc2)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001503397525 1071656232 /nfs/dbraw/zinc/65/62/32/1071656232.db2.gz BDLFYCAITBZCON-UHFFFAOYSA-N 2 0 468.650 1.596 20 0 JDADRP C[NH+](C)CC(C)(C)Cn1c(Cc2ccccn2)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001503398209 1071657597 /nfs/dbraw/zinc/65/75/97/1071657597.db2.gz IDVFWXHCZHAPTP-OAQYLSRUSA-N 2 0 468.650 1.595 20 0 JDADRP C[NH+](C)CCOCCn1c(-c2cccc(S(C)(=O)=O)c2)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001503403119 1071668665 /nfs/dbraw/zinc/66/86/65/1071668665.db2.gz UOIUVFQDHCPWNR-NRFANRHFSA-N 2 0 490.674 1.991 20 0 JDADRP C[NH+](C)CCOCCn1c(C(=O)N2CCCC2)nnc1N1CCC[N@H+](Cc2ccccc2)CC1 ZINC001503403258 1071668672 /nfs/dbraw/zinc/66/86/72/1071668672.db2.gz VEEBKMJYADUHGO-UHFFFAOYSA-N 2 0 469.634 1.805 20 0 JDADRP C[NH+](C)CCOCCn1c(-c2ccc(Cl)nc2)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001503404038 1071670440 /nfs/dbraw/zinc/67/04/40/1071670440.db2.gz XIAXGIVBDZSCQO-UHFFFAOYSA-N 2 0 491.040 1.316 20 0 JDADRP C[NH+](C)CCOCCn1c([C@H]2CCCCO2)nnc1N1CC[NH+](CC2CCOCC2)CC1 ZINC001503405641 1071674974 /nfs/dbraw/zinc/67/49/74/1071674974.db2.gz YUVPUQXQHNZDJU-OAQYLSRUSA-N 2 0 450.628 1.647 20 0 JDADRP COCC[N@H+](C)CCCn1c(-c2noc3c2COCC3)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001504849167 1071745584 /nfs/dbraw/zinc/74/55/84/1071745584.db2.gz AUJVVGCFNADITF-UHFFFAOYSA-N 2 0 461.611 1.895 20 0 JDADRP COCC[N@H+](C)CCn1c(-c2cccc(C)n2)nnc1N1C[C@H](C)[C@H]([NH+]2CCCN(C(C)=O)CC2)C1 ZINC001504857031 1071773663 /nfs/dbraw/zinc/77/36/63/1071773663.db2.gz IIAFARQXPMFCMU-GBXCKJPGSA-N 2 0 498.676 1.606 20 0 JDADRP COCC[N@@H+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](C)[NH+]2CCC(C)CC2)C[C@H]1C ZINC001504903996 1071842562 /nfs/dbraw/zinc/84/25/62/1071842562.db2.gz IGQVJDLQZRQOOA-AABGKKOBSA-N 2 0 485.699 1.166 20 0 JDADRP COCC[N@@H+]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@@H](C)[NH+](C)C)C[C@H]1C ZINC001504904723 1071844885 /nfs/dbraw/zinc/84/48/85/1071844885.db2.gz QAQDSVLTADWQGZ-QZTJIDSGSA-N 2 0 478.041 1.969 20 0 JDADRP COCC[N@@H+]1CCN(c2nnc(-c3cnccn3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)C[C@@H]1C ZINC001504917727 1071883769 /nfs/dbraw/zinc/88/37/69/1071883769.db2.gz WLKIAQKLIKNSGW-FPOVZHCZSA-N 2 0 458.611 1.249 20 0 JDADRP COCC[N@@H+]1CCN(c2nnc(-c3cnccn3)n2C[C@H](C(C)C)[NH+]2CCOCC2)C[C@H]1C ZINC001504917729 1071883836 /nfs/dbraw/zinc/88/38/36/1071883836.db2.gz WLKIAQKLIKNSGW-TZIWHRDSSA-N 2 0 458.611 1.249 20 0 JDADRP COCC[N@@H+]1CCN(c2nnc(-c3cnccn3)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC001504916287 1071879860 /nfs/dbraw/zinc/87/98/60/1071879860.db2.gz FESJIPZMCTYHTE-SLFFLAALSA-N 2 0 472.638 1.780 20 0 JDADRP COCC[N@@H+]1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc43)n2C[C@H](C)[NH+](C)C)C[C@H]1C ZINC001504916597 1071881268 /nfs/dbraw/zinc/88/12/68/1071881268.db2.gz HPKCFFWXZMHSST-ZWKOTPCHSA-N 2 0 468.606 1.299 20 0 JDADRP COCC[N@@H+]1CCN(c2nnc(Cc3ccccn3)n2CC2([NH+](C)C)CCOCC2)C[C@H]1C ZINC001504922400 1071898010 /nfs/dbraw/zinc/89/80/10/1071898010.db2.gz JAGZVJOAXJGYBI-HXUWFJFHSA-N 2 0 457.623 1.532 20 0 JDADRP COCC[N@@H+]1CCN(c2nnc(CCOc3ccccc3)n2C[C@@]2(O)CC[NH+](C)C2)C[C@@H]1C ZINC001504923801 1071904281 /nfs/dbraw/zinc/90/42/81/1071904281.db2.gz JYZAXGDGFBVRQY-GBXCKJPGSA-N 2 0 458.607 1.123 20 0 JDADRP COCC[N@@H+]1CCN(c2nnc(CN3CCCC3=O)n2C[C@H]2CCC[NH+](CC(C)C)C2)C[C@H]1C ZINC001504924445 1071908093 /nfs/dbraw/zinc/90/80/93/1071908093.db2.gz WNDCHEHAIQXFBL-YADHBBJMSA-N 2 0 475.682 1.925 20 0 JDADRP COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@H](C[NH+]3CCOCC3)C2)n1C[C@@H](C)[NH+](C)C ZINC001505079699 1072198966 /nfs/dbraw/zinc/19/89/66/1072198966.db2.gz KMCFZOORMGQFHI-CGXNFDGLSA-N 2 0 450.628 1.501 20 0 JDADRP CC[N@@H+]1CCC[C@H]1CN1C[C@H](C(=O)Nc2ccc(OCCN3CC[NH+](C)CC3)cc2)CC1=O ZINC001465471914 1067803131 /nfs/dbraw/zinc/80/31/31/1067803131.db2.gz DCEHZVULBFIWKE-IRLDBZIGSA-N 2 0 457.619 1.584 20 0 JDADRP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(S(=O)(=O)N(C)C)c(OC)c1 ZINC001465938731 1067845409 /nfs/dbraw/zinc/84/54/09/1067845409.db2.gz NJCGXGMOJKHALY-GOSISDBHSA-N 2 0 455.625 1.825 20 0 JDADRP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccc(S(=O)(=O)N(C)C)c(OC)c1 ZINC001465938732 1067845472 /nfs/dbraw/zinc/84/54/72/1067845472.db2.gz NJCGXGMOJKHALY-SFHVURJKSA-N 2 0 455.625 1.825 20 0 JDADRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)NCC(=O)NCC[NH+]2CCCCCC2)CC1 ZINC001467603971 1068036642 /nfs/dbraw/zinc/03/66/42/1068036642.db2.gz RDXOABOQTIJXSS-UHFFFAOYSA-N 2 0 458.651 1.616 20 0 JDADRP CN(C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)NCc1ccc(N2CC[NH+](C)CC2)nc1 ZINC001467906943 1068091521 /nfs/dbraw/zinc/09/15/21/1068091521.db2.gz KRVQWTBGBQDLRC-VWLOTQADSA-N 2 0 452.603 1.612 20 0 JDADRP O=C(NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1)NCC1(OCCO)CCC(F)(F)CC1 ZINC001468363978 1068256841 /nfs/dbraw/zinc/25/68/41/1068256841.db2.gz VHRSETNBHDLMBR-UHFFFAOYSA-N 2 0 455.550 1.850 20 0 JDADRP NC(=O)C1([NH+]2CCCCC2)CCN(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC001468364103 1068258802 /nfs/dbraw/zinc/25/88/02/1068258802.db2.gz YQWXUWJOUAJEQM-UHFFFAOYSA-N 3 0 457.623 1.109 20 0 JDADRP C[C@@H]1CN(C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC001468657968 1068336384 /nfs/dbraw/zinc/33/63/84/1068336384.db2.gz QWASDHTZISQDPU-FGZHOGPDSA-N 2 0 458.655 1.046 20 0 JDADRP CC(C)CNS(=O)(=O)c1ccc(CNC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)cc1 ZINC001469628494 1068557523 /nfs/dbraw/zinc/55/75/23/1068557523.db2.gz DWMVSECTSXZMLH-WOJBJXKFSA-N 2 0 453.653 1.502 20 0 JDADRP C[NH+](C)C[C@@H]1CN(C(=O)N[C@H]2CCCN(Cc3ccc(F)cc3F)C2=O)C[C@H]1C[NH+](C)C ZINC001469849176 1068603064 /nfs/dbraw/zinc/60/30/64/1068603064.db2.gz FRGZPFUOJCPVSF-OPYAIIAOSA-N 2 0 451.562 1.837 20 0 JDADRP C[NH+](C)C[C@@H]1CN(C(=O)NCc2cccc(N3C(=O)N[C@@](C)(C4CC4)C3=O)c2)C[C@H]1C[NH+](C)C ZINC001470138123 1068707447 /nfs/dbraw/zinc/70/74/47/1068707447.db2.gz QAIQVQCADBJPMB-RRQZXNHTSA-N 2 0 470.618 1.792 20 0 JDADRP C[NH+](C)C[C@@H]1CN(C(=O)CCc2ccc(S(=O)(=O)N3CCCCC3)cc2)C[C@H]1C[NH+](C)C ZINC001471107672 1068836317 /nfs/dbraw/zinc/83/63/17/1068836317.db2.gz RRYSUWKNUVIKRL-FGZHOGPDSA-N 2 0 464.676 1.992 20 0 JDADRP C[NH+](C)C[C@@H]1CN(C(=O)C2=NO[C@]3(C2)CCCN(C(=O)OC(C)(C)C)C3)C[C@H]1C[NH+](C)C ZINC001471110576 1068836665 /nfs/dbraw/zinc/83/66/65/1068836665.db2.gz FBVLJOYGCVGZMU-PNCHPQGNSA-N 2 0 451.612 1.730 20 0 JDADRP O=C(N[C@H]1CCC[N@H+](CCN2CCOCC2)C1)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC001471183352 1068841102 /nfs/dbraw/zinc/84/11/02/1068841102.db2.gz XYHUSCWTDOUGNS-QHCPKHFHSA-N 2 0 451.656 1.317 20 0 JDADRP CN1CC[NH+](CCC(C)(C)NC(=O)NCC[NH+]2CCC(NC(=O)OC(C)(C)C)CC2)CC1 ZINC001471323353 1068854453 /nfs/dbraw/zinc/85/44/53/1068854453.db2.gz YGJXOAQYTNNLIT-UHFFFAOYSA-N 2 0 454.660 1.691 20 0 JDADRP CC[C@@H]1CCCC[N@@H+]1CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001499462664 1069003924 /nfs/dbraw/zinc/00/39/24/1069003924.db2.gz IAILEIOZHWYJDI-VQTJNVASSA-N 2 0 469.700 1.931 20 0 JDADRP CC[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CCC[NH+]2CCCO[C@@H](C)C2)CC[N@@H+]1CCOC ZINC001499639708 1069021596 /nfs/dbraw/zinc/02/15/96/1069021596.db2.gz PYENPJNVHNCLBU-FCHUYYIVSA-N 2 0 491.681 1.562 20 0 JDADRP CC[C@H]1CN(c2nnc(C(=O)NC(C)C)n2CC2(O)CC[NH+](C(C)C)CC2)CC[N@@H+]1CCOC ZINC001499642393 1069023891 /nfs/dbraw/zinc/02/38/91/1069023891.db2.gz LXOVXIYNJBWGIW-FQEVSTJZSA-N 2 0 479.670 1.199 20 0 JDADRP CC[C@H]1CN(c2nnc(-c3cccnc3)n2C[C@H](C)N2CC[NH+](CC)CC2)CC[N@@H+]1CCOC ZINC001499712179 1069046435 /nfs/dbraw/zinc/04/64/35/1069046435.db2.gz SLSSIIJDTDGRBN-GMAHTHKFSA-N 2 0 470.666 1.913 20 0 JDADRP CC[C@@H]1CN(c2nnc(-c3cnn(C)c3)n2C[C@H](C)C[NH+]2CCOCC2)CC[N@@H+]1CCOC ZINC001499716345 1069048023 /nfs/dbraw/zinc/04/80/23/1069048023.db2.gz QSTWQHGDTDIZMM-TZIWHRDSSA-N 2 0 460.627 1.194 20 0 JDADRP CC[C@H]1CN(c2nnc(-c3cnn(C)c3)n2C[C@@H](C)C[NH+]2CCOCC2)CC[N@@H+]1CCOC ZINC001499716341 1069048262 /nfs/dbraw/zinc/04/82/62/1069048262.db2.gz QSTWQHGDTDIZMM-FPOVZHCZSA-N 2 0 460.627 1.194 20 0 JDADRP CC[C@H]1CN(c2nnc(-c3cnccn3)n2C[C@H](C)C[NH+]2CCOCC2)CC[N@@H+]1CCOC ZINC001499718972 1069049156 /nfs/dbraw/zinc/04/91/56/1069049156.db2.gz DJRRCNWQXCVSDK-UXHICEINSA-N 2 0 458.611 1.250 20 0 JDADRP CC[C@@H]1CN(c2nnc(-c3cnccn3)n2C[C@@]2([NH+](C)C)CCSC2)CC[N@@H+]1CCOC ZINC001499719350 1069049848 /nfs/dbraw/zinc/04/98/48/1069049848.db2.gz HRYJANMLTDHTFA-GCJKJVERSA-N 2 0 460.652 1.719 20 0 JDADRP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](CCC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001473142868 1069079634 /nfs/dbraw/zinc/07/96/34/1069079634.db2.gz BCOXKZIOSJOYOD-OYRHEFFESA-N 2 0 451.656 1.946 20 0 JDADRP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](CCC(=O)N2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC001473142869 1069079787 /nfs/dbraw/zinc/07/97/87/1069079787.db2.gz BCOXKZIOSJOYOD-SFTDATJTSA-N 2 0 451.656 1.946 20 0 JDADRP NS(=O)(=O)c1ccc(CCNC(=O)CC[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)cc1 ZINC001473148286 1069081503 /nfs/dbraw/zinc/08/15/03/1069081503.db2.gz UDNQROYMSZYIQF-OAQYLSRUSA-N 2 0 450.649 1.971 20 0 JDADRP CN(CCCNC(=O)C[NH+]1CCC2(CC1)CC[NH+](Cc1ccccc1)CC2)S(C)(=O)=O ZINC001473596001 1069189943 /nfs/dbraw/zinc/18/99/43/1069189943.db2.gz BAIYCJVXHFZDKH-UHFFFAOYSA-N 2 0 450.649 1.762 20 0 JDADRP CCC[C@@H]1CN(c2nnc([C@H]3CCOC3)n2CCN2CC[NH+](C)C(C)(C)C2)CC[N@@H+]1CCOC ZINC001500270101 1069230944 /nfs/dbraw/zinc/23/09/44/1069230944.db2.gz XDDSKYFBELLGDZ-FCHUYYIVSA-N 2 0 477.698 1.745 20 0 JDADRP CCC[C@H]1CN(c2nnc([C@H]3CCOC3)n2CCN2CC[NH+](C)C(C)(C)C2)CC[N@@H+]1CCOC ZINC001500270119 1069231364 /nfs/dbraw/zinc/23/13/64/1069231364.db2.gz XDDSKYFBELLGDZ-VXKWHMMOSA-N 2 0 477.698 1.745 20 0 JDADRP CCC[N@H+](C)C[C@@H]1CCN(c2nnc(-c3cnn(C)c3)n2CCN2CC[NH+](C)C(C)(C)C2)C1 ZINC001500714995 1069301024 /nfs/dbraw/zinc/30/10/24/1069301024.db2.gz COXZWWMASJBXCU-FQEVSTJZSA-N 2 0 457.671 1.873 20 0 JDADRP CCC[N@H+](C)C[C@H]1CCN(c2nnc(-c3cnn(C)c3)n2CCN2CC[NH+](C)C(C)(C)C2)C1 ZINC001500714996 1069301380 /nfs/dbraw/zinc/30/13/80/1069301380.db2.gz COXZWWMASJBXCU-HXUWFJFHSA-N 2 0 457.671 1.873 20 0 JDADRP CCOC(=O)[C@H]1Cc2cc(S(=O)(=O)N(CC[NH+](C)C)C[C@@H]3CCC[N@@H+]3CC)ccc2O1 ZINC001474915147 1069303942 /nfs/dbraw/zinc/30/39/42/1069303942.db2.gz NVXNMFODGZSYAS-GHTZIAJQSA-N 2 0 453.605 1.590 20 0 JDADRP CCC[N@H+](C)C[C@@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H](C2CC2)[NH+](C)C)C1 ZINC001500721606 1069305233 /nfs/dbraw/zinc/30/52/33/1069305233.db2.gz ZXKAUWYTJCQVQQ-DFQSSKMNSA-N 2 0 452.669 1.689 20 0 JDADRP CCC[N@H+](C)C[C@H]1CCN(c2nnc(CN3CCCC3=O)n2CC2(O)CC[NH+](C(C)C)CC2)C1 ZINC001500726052 1069306092 /nfs/dbraw/zinc/30/60/92/1069306092.db2.gz TVQVVBSPARQWNC-OAQYLSRUSA-N 2 0 475.682 1.804 20 0 JDADRP CSC1(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[NH+](C3CCCC3)CC2)CC[NH+](C)CC1 ZINC001505188142 1072406535 /nfs/dbraw/zinc/40/65/35/1072406535.db2.gz QSMAERYWKDNMJF-SFHVURJKSA-N 2 0 499.751 1.780 20 0 JDADRP CSC1(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[NH+](C3CCCC3)CC2)CC[NH+](C)CC1 ZINC001505188141 1072406617 /nfs/dbraw/zinc/40/66/17/1072406617.db2.gz QSMAERYWKDNMJF-GOSISDBHSA-N 2 0 499.751 1.780 20 0 JDADRP CC(=O)N1CCC[N@@H+]([C@@H]2CN(c3nnc(C(=O)NC(C)C)n3CC[NH+]3CC=CCC3)C[C@H]2C)CC1 ZINC001508230434 1072993800 /nfs/dbraw/zinc/99/38/00/1072993800.db2.gz COGSGVFXOMTRQN-IFMALSPDSA-N 2 0 486.665 1.057 20 0 JDADRP CC(=O)N1CCC[N@@H+]([C@H]2CN(c3nnc(C(=O)NC(C)C)n3CC[NH+]3CC=CCC3)C[C@H]2C)CC1 ZINC001508230436 1072994428 /nfs/dbraw/zinc/99/44/28/1072994428.db2.gz COGSGVFXOMTRQN-IRLDBZIGSA-N 2 0 486.665 1.057 20 0 JDADRP CC(=O)N1CCC[N@@H+]([C@@H]2CN(c3nnc(C)n3CC(C)(C)[NH+]3C[C@H](C)O[C@@H](C)C3)C[C@@H]2C)CC1 ZINC001508231803 1072997343 /nfs/dbraw/zinc/99/73/43/1072997343.db2.gz IWTTYZHJWJJBIT-IHFIDZABSA-N 2 0 475.682 1.853 20 0 JDADRP CC(=O)N1CCC[N@@H+]([C@@H]2CN(c3nnc(C)n3Cc3ccc(OCC[NH+](C)C)cc3)C[C@@H]2C)CC1 ZINC001508233673 1073002022 /nfs/dbraw/zinc/00/20/22/1073002022.db2.gz RCMDSPZMLKVIJX-NBGIEHNGSA-N 2 0 483.661 1.954 20 0 JDADRP CC(C)(C)c1nnc(N2CCC[C@H](C(N)=O)C2)n1CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001508524929 1073273175 /nfs/dbraw/zinc/27/31/75/1073273175.db2.gz OTALVOKOVWGOEK-IBGZPJMESA-N 2 0 454.623 1.885 20 0 JDADRP CC(C)C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[NH+](C2CCOCC2)CC1)[NH+](C)C ZINC001509106504 1073502860 /nfs/dbraw/zinc/50/28/60/1073502860.db2.gz MEXVWCBVLIWZOX-ICSRJNTNSA-N 2 0 485.699 1.166 20 0 JDADRP CC(C)C[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](C[NH+]2CCOCC2)C1)[NH+](C)C ZINC001509117112 1073507309 /nfs/dbraw/zinc/50/73/09/1073507309.db2.gz ALTIAVMVVSUYIC-PWRODBHTSA-N 2 0 461.655 1.754 20 0 JDADRP CC(C)Cc1nnc(N2CC[NH+](CCCOCC(F)(F)F)CC2)n1C[C@]1(O)CC[N@H+](C)C1 ZINC001509252991 1073546661 /nfs/dbraw/zinc/54/66/61/1073546661.db2.gz GFXPRUPCJZJNEC-FQEVSTJZSA-N 2 0 462.561 1.634 20 0 JDADRP CC(C)C[NH+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](C)C[NH+]2CCCCC2)CC1 ZINC001509404115 1073580441 /nfs/dbraw/zinc/58/04/41/1073580441.db2.gz JYDUMWJXNPJACA-VQTJNVASSA-N 2 0 469.700 1.788 20 0 JDADRP CC(C)C[NH+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2cccc(OCC[NH+](C)C)c2)CC1 ZINC001509421800 1073596175 /nfs/dbraw/zinc/59/61/75/1073596175.db2.gz SWCSBELGOHLXHQ-QFIPXVFZSA-N 2 0 469.634 1.996 20 0 JDADRP CC(C)C[NH+]1CCN(c2nnc(CC[NH+]3CCN(c4ccccc4)CC3)n2CCC(=O)N(C)C)CC1 ZINC001509433181 1073613099 /nfs/dbraw/zinc/61/30/99/1073613099.db2.gz NJNFQFGUHCZTGH-UHFFFAOYSA-N 2 0 496.704 1.899 20 0 JDADRP CC(C)C[N@@H+]1CCO[C@@H](Cn2c(C(=O)NC(C)C)nnc2N2CC[NH+](C3CCOCC3)C[C@@H]2C)C1 ZINC001509437103 1073617861 /nfs/dbraw/zinc/61/78/61/1073617861.db2.gz UJODWNCSGGCWJE-RBBKRZOGSA-N 2 0 491.681 1.463 20 0 JDADRP CC(C)[N@H+](C)CCCn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC[NH+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001509513995 1073658199 /nfs/dbraw/zinc/65/81/99/1073658199.db2.gz OBYOIZVUWUWRMJ-BDTNDASRSA-N 2 0 474.698 1.954 20 0 JDADRP CC(C)[N@H+](C)CCCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC001509513274 1073658636 /nfs/dbraw/zinc/65/86/36/1073658636.db2.gz MTYARLVOXGSZSD-JOCHJYFZSA-N 2 0 474.698 1.954 20 0 JDADRP CC(C)[N@H+](C)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001509527534 1073668188 /nfs/dbraw/zinc/66/81/88/1073668188.db2.gz LIPALWWQOCDKQN-FDFHNCONSA-N 2 0 495.738 1.515 20 0 JDADRP CC(C)[NH+](CCn1c([C@@H]2CCOC2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)C(C)C ZINC001509550233 1073676092 /nfs/dbraw/zinc/67/60/92/1073676092.db2.gz WDAZMRISQJSZIP-RTWAWAEBSA-N 2 0 461.655 1.644 20 0 JDADRP CC(C)[NH+](CCn1c([C@H]2CCOC2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)C(C)C ZINC001509550237 1073676135 /nfs/dbraw/zinc/67/61/35/1073676135.db2.gz WDAZMRISQJSZIP-SFTDATJTSA-N 2 0 461.655 1.644 20 0 JDADRP CC(C)[N@@H+]1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2CCC[NH+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC001509561306 1073683056 /nfs/dbraw/zinc/68/30/56/1073683056.db2.gz RAEBAGOMRVMXNG-VQTJNVASSA-N 2 0 474.654 1.092 20 0 JDADRP CC(C)[NH+]1CCN([C@H]2CCN(c3nnc(-c4cnccn4)n3CC(C)(C)C[NH+](C)C)C2)CC1 ZINC001509582373 1073705530 /nfs/dbraw/zinc/70/55/30/1073705530.db2.gz RDGVILPPUVKLFU-FQEVSTJZSA-N 2 0 455.655 1.928 20 0 JDADRP CC(C)[NH+]1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@H]2CCC[N@@H+]2CCCO)CC1 ZINC001509582820 1073707622 /nfs/dbraw/zinc/70/76/22/1073707622.db2.gz WEQTYFIPTCMAQC-LJQANCHMSA-N 2 0 475.663 1.647 20 0 JDADRP C[NH+](C)CCNC(=O)C[C@@H]1CC2(CCN(c3ccc(N4CC[NH2+]CC4)nn3)CC2)c2ccccc21 ZINC001164679942 719661612 /nfs/dbraw/zinc/66/16/12/719661612.db2.gz AYZHTQBRIBIAOO-OAQYLSRUSA-N 2 0 477.657 1.980 20 0 JDADRP C[NH+]1CCC(Oc2cc[nH+]c(N3C[C@@H](NC(=O)c4cnccn4)[C@@H]4OCCC[C@H]4C3)c2)CC1 ZINC001164709930 720055984 /nfs/dbraw/zinc/05/59/84/720055984.db2.gz CCIVAFVJCSJXFW-AMHTUMDSSA-N 2 0 452.559 1.758 20 0 JDADRP C[NH+]1CCC(Oc2cc[nH+]c(N3C[C@@H]4CCCO[C@@H]4[C@@H](NC(=O)c4cnccn4)C3)c2)CC1 ZINC001164709931 720056287 /nfs/dbraw/zinc/05/62/87/720056287.db2.gz CCIVAFVJCSJXFW-HYVJGQCMSA-N 2 0 452.559 1.758 20 0 JDADRP CN(C)C(=O)N1CC2(CCN(c3cc(OC4CC[NH+](C)CC4)cc[nH+]3)CC2)[C@]2(CCN(C)C2=O)C1 ZINC001164711770 720161608 /nfs/dbraw/zinc/16/16/08/720161608.db2.gz BZTRYNDGQLOTPV-AREMUKBSSA-N 2 0 484.645 1.987 20 0 JDADRP Cn1nnc2c1CCN(c1ccc(OCC3CC[NH2+]CC3)cn1)[C@H]2COCC[NH+]1CCCC1 ZINC001164718935 720205676 /nfs/dbraw/zinc/20/56/76/720205676.db2.gz PFHXMEMZUMHNTQ-QFIPXVFZSA-N 2 0 455.607 1.805 20 0 JDADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CCOC[C@]4(CC[C@H](CNC(=O)c5cnccn5)O4)C3)c2)CC1 ZINC001164818167 720273955 /nfs/dbraw/zinc/27/39/55/720273955.db2.gz IRUCZNZGXIWOJI-BWKNWUBXSA-N 2 0 482.585 1.529 20 0 JDADRP Cn1cnc2c1[C@H](COCCN1CCOCC1)CN(c1cccc(N3CCC([NH3+])CC3)[nH+]1)C2 ZINC001164830663 720467490 /nfs/dbraw/zinc/46/74/90/720467490.db2.gz KQCLIEIRPMBIDI-IBGZPJMESA-N 2 0 455.607 1.195 20 0 JDADRP Cn1cnc2c1[C@@H](COCCN1CCOCC1)CN(c1cc(OC3CC[NH+](C)CC3)cc[nH+]1)C2 ZINC001164834072 720479982 /nfs/dbraw/zinc/47/99/82/720479982.db2.gz RHLNVULLPYVQKE-HXUWFJFHSA-N 2 0 470.618 1.741 20 0 JDADRP C[N@H+](Cc1ccccc1)[C@@H]1COC2(C1)CCN(c1nc(S(C)(=O)=O)nc3c1CC[NH2+]CC3)CC2 ZINC001164844228 720660024 /nfs/dbraw/zinc/66/00/24/720660024.db2.gz YUNOOLHQNDKZMZ-FQEVSTJZSA-N 2 0 485.654 1.828 20 0 JDADRP CNC(=O)[C@]12CN(c3cc(OC4CC[NH+](C)CC4)cc[nH+]3)C[C@@H]1N(c1ncccn1)CCC2 ZINC001164870155 721207633 /nfs/dbraw/zinc/20/76/33/721207633.db2.gz UBORODHCIKOAOG-GBXCKJPGSA-N 2 0 451.575 1.566 20 0 JDADRP COCC[N@@H+]1CC2(C[C@@H]1COCC1CC1)CCN(c1ccc(N3CC[NH+](C)CC3)nn1)CC2 ZINC001164786729 721451276 /nfs/dbraw/zinc/45/12/76/721451276.db2.gz NKELXNIUMGKIIK-JOCHJYFZSA-N 2 0 458.651 1.962 20 0 JDADRP C[N@H+](Cc1ccc(-n2cc3c(nc2=NCC2CC2)[C@@H]2C[NH2+]C[C@H]2S(=O)(=O)C3)nc1)C1CC1 ZINC001164793530 721475364 /nfs/dbraw/zinc/47/53/64/721475364.db2.gz WXZLBNXNIYVUHE-WOJBJXKFSA-N 2 0 454.600 1.156 20 0 JDADRP Cc1nc(CN2CCOC[C@@]3(CN(c4cccc(N5CCC([NH3+])CC5)[nH+]4)CCO3)C2)cs1 ZINC001164923930 721831201 /nfs/dbraw/zinc/83/12/01/721831201.db2.gz VFJNYXXBXUNIRN-QHCPKHFHSA-N 2 0 458.632 1.882 20 0 JDADRP C[NH+]1CCC(Oc2cc[nH+]c(N3Cc4nccn4C[C@@H](CNC(=O)c4ccnnc4)C3)c2)CC1 ZINC001165005990 722241858 /nfs/dbraw/zinc/24/18/58/722241858.db2.gz WNKRQRXFUOKBRV-GOSISDBHSA-N 2 0 462.558 1.608 20 0 JDADRP CCC[N@H+](CC)CCn1c(-c2ccccn2)nnc1N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001500783879 1069310873 /nfs/dbraw/zinc/31/08/73/1069310873.db2.gz DIAPGNBFTJHIPT-NRFANRHFSA-N 2 0 454.623 1.815 20 0 JDADRP CCC[N@@H+]1CC[C@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[NH+](CC(C)C)CC2)C1 ZINC001500921805 1069330233 /nfs/dbraw/zinc/33/02/33/1069330233.db2.gz LOERKPHFPSPMBK-MOPGFXCFSA-N 2 0 455.673 1.398 20 0 JDADRP CCC[NH+]1CCC(Cn2c(-c3cnn(C)c3)nnc2N2CCN(C(=O)C[NH+](CC)CC)CC2)CC1 ZINC001500936716 1069333395 /nfs/dbraw/zinc/33/33/95/1069333395.db2.gz RNXMIPZOPMMVQQ-UHFFFAOYSA-N 2 0 485.681 1.791 20 0 JDADRP CCC[NH+]1CCC(N(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2(O)CC[NH+](C(C)C)CC2)CC1 ZINC001500963915 1069341360 /nfs/dbraw/zinc/34/13/60/1069341360.db2.gz IXSMHGAFFXQMLS-LJQANCHMSA-N 2 0 499.726 1.434 20 0 JDADRP CCC[NH+]1CCC(N(C)c2nnc([C@]3(OCC)CCOC3)n2C[C@H](C)N2CCOCC2)CC1 ZINC001500965368 1069342090 /nfs/dbraw/zinc/34/20/90/1069342090.db2.gz ABEOMWUDFKSAMU-RDPSFJRHSA-N 2 0 464.655 1.962 20 0 JDADRP CCC[NH+]1CCC(N(C)c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC001500965484 1069342224 /nfs/dbraw/zinc/34/22/24/1069342224.db2.gz CTNYOTHDZMLUFR-DNQXCXABSA-N 2 0 464.655 1.696 20 0 JDADRP CCC[NH+]1CCC(N(C)c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC[NH+]2CCCC2)CC1 ZINC001500979637 1069344221 /nfs/dbraw/zinc/34/42/21/1069344221.db2.gz YGCQVFZCABTLMA-HXUWFJFHSA-N 2 0 483.683 1.017 20 0 JDADRP COCCOc1ccc(Br)cc1S(=O)(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC001475575763 1069497142 /nfs/dbraw/zinc/49/71/42/1069497142.db2.gz SEGKJVQKVVMYOQ-HZPDHXFCSA-N 2 0 478.453 1.834 20 0 JDADRP C[NH+](C)C[C@@H]1CN(S(=O)(=O)[C@@H]2CCCN(C(=O)c3cccc(Cl)c3)C2)C[C@H]1C[NH+](C)C ZINC001475575414 1069497159 /nfs/dbraw/zinc/49/71/59/1069497159.db2.gz HNHCWVAYLYRKEU-SFHLNBCPSA-N 2 0 471.067 1.946 20 0 JDADRP CCOC(=O)c1cc(Br)cc(S(=O)(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c1 ZINC001475575423 1069497199 /nfs/dbraw/zinc/49/71/99/1069497199.db2.gz HXIKOADWBMOZQC-HZPDHXFCSA-N 2 0 476.437 1.986 20 0 JDADRP COC(=O)CN1CCN(c2ccc(NC(=O)N3C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C3)cc2)CC1 ZINC001476139510 1069613244 /nfs/dbraw/zinc/61/32/44/1069613244.db2.gz MCKCNXQUQVZBOD-WOJBJXKFSA-N 2 0 460.623 1.185 20 0 JDADRP CCN(CC)C(=O)CN1CCN(c2nnc(-c3cnccn3)n2CC[C@@H](C)[NH+]2CCCCC2)CC1 ZINC001501783680 1069674856 /nfs/dbraw/zinc/67/48/56/1069674856.db2.gz OJNFDDXIJAGIOV-OAQYLSRUSA-N 2 0 483.665 1.990 20 0 JDADRP CC[NH+](CC)[C@H](C)Cn1c(C(=O)N2CCCC2)nnc1N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC001501793342 1069719563 /nfs/dbraw/zinc/71/95/63/1069719563.db2.gz YYJVBYAEBOWIIC-HXUWFJFHSA-N 2 0 471.654 1.690 20 0 JDADRP CC[NH+](CC)C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCC[NH+]2CCCC2)CC1 ZINC001501895618 1069756499 /nfs/dbraw/zinc/75/64/99/1069756499.db2.gz ISMIYBGORGBTND-OAQYLSRUSA-N 2 0 497.710 1.408 20 0 JDADRP CC[NH+](CC)C1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](C)[N@H+](C)C2CC2)CC1 ZINC001501896123 1069757737 /nfs/dbraw/zinc/75/77/37/1069757737.db2.gz YDLHWECMFTYAMY-MSOLQXFVSA-N 2 0 452.669 1.974 20 0 JDADRP CC[NH+](CC)CC(=O)N1CCN(c2nnc(C(C)C)n2C[C@]2([NH+](C)C)CCSC2)CC1 ZINC001501901742 1069768895 /nfs/dbraw/zinc/76/88/95/1069768895.db2.gz YEUKZDRPGPIBJK-JOCHJYFZSA-N 2 0 451.685 1.829 20 0 JDADRP CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cccnc3)n2CCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001501903578 1069770166 /nfs/dbraw/zinc/77/01/66/1069770166.db2.gz BFRMKGMFGRAMLA-SZPZYZBQSA-N 2 0 498.676 1.830 20 0 JDADRP CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cnccn3)n2C[C@@H]2CCC[N@@H+](C(C)C)C2)CC1 ZINC001501903675 1069773397 /nfs/dbraw/zinc/77/33/97/1069773397.db2.gz FKJRBLCPLFVVPQ-OAQYLSRUSA-N 2 0 483.665 1.846 20 0 JDADRP CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC001501903851 1069775664 /nfs/dbraw/zinc/77/56/64/1069775664.db2.gz LKMONAIQJXPWRZ-NHCUHLMSSA-N 2 0 485.681 1.789 20 0 JDADRP CC[NH+](CC)CC(=O)N1CCN(c2nnc(Cc3ccccn3)n2CC[NH+]2CCC(C)CC2)CC1 ZINC001501906444 1069784091 /nfs/dbraw/zinc/78/40/91/1069784091.db2.gz DNVSEEDSNZAALW-UHFFFAOYSA-N 2 0 482.677 1.986 20 0 JDADRP CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC001501904156 1069780440 /nfs/dbraw/zinc/78/04/40/1069780440.db2.gz WWPCHCSYOFGGSN-QHCPKHFHSA-N 2 0 493.660 1.972 20 0 JDADRP CC[NH+](CC)CCCn1c(-c2cnccn2)nnc1N1C[C@@H](C)[C@@H]([N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC001501951573 1069805847 /nfs/dbraw/zinc/80/58/47/1069805847.db2.gz BGXAOSOPNZRGHR-OFNKIYASSA-N 2 0 483.665 1.846 20 0 JDADRP COc1ccc([C@H](CNC(=O)N[C@H]2CCC[N@H+](CCN3CCOCC3)C2)[NH+]2CCCC2)cc1 ZINC001477238221 1069805967 /nfs/dbraw/zinc/80/59/67/1069805967.db2.gz UEQGUHULSHFCQM-UPVQGACJSA-N 2 0 459.635 1.928 20 0 JDADRP COc1ccc([C@@H](CNC(=O)N[C@@H]2CCC[N@H+](CCN3CCOCC3)C2)[NH+]2CCCC2)cc1 ZINC001477238219 1069805984 /nfs/dbraw/zinc/80/59/84/1069805984.db2.gz UEQGUHULSHFCQM-ISKFKSNPSA-N 2 0 459.635 1.928 20 0 JDADRP CC[NH+](CC)CCCn1c(-c2cccnc2)nnc1N1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001501949752 1069806081 /nfs/dbraw/zinc/80/60/81/1069806081.db2.gz SHPKJWKWARYVGT-OAQYLSRUSA-N 2 0 454.623 1.815 20 0 JDADRP COc1ccc([C@@H](CNC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)N2CCOCC2)cc1OC ZINC001477244483 1069807350 /nfs/dbraw/zinc/80/73/50/1069807350.db2.gz WMRFNAMTHYEPMW-YPAWHYETSA-N 2 0 477.650 1.458 20 0 JDADRP CC[NH+](CC)[C@H](C)Cn1c(-c2ccccn2)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001501978104 1069810190 /nfs/dbraw/zinc/81/01/90/1069810190.db2.gz KKOICFBPBFBFNX-HXUWFJFHSA-N 2 0 454.623 1.815 20 0 JDADRP CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCCCO2)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001501980668 1069810556 /nfs/dbraw/zinc/81/05/56/1069810556.db2.gz HGMFWBCJNKVFSD-NHCUHLMSSA-N 2 0 461.655 1.994 20 0 JDADRP CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001501980822 1069810971 /nfs/dbraw/zinc/81/09/71/1069810971.db2.gz MGLJJAHZKGAOBG-KJJMTIBFSA-N 2 0 474.698 1.954 20 0 JDADRP C[NH+]1CCN(c2ccc(CNC(=O)N[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3CO)cn2)CC1 ZINC001477413095 1069821217 /nfs/dbraw/zinc/82/12/17/1069821217.db2.gz JGQBCXLDMJLDRU-PKTZIBPZSA-N 2 0 452.603 1.516 20 0 JDADRP C[C@H]1CCCN(S(=O)(=O)c2ccc(CNC(=O)N3C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C3)cc2)C1 ZINC001477530389 1069830282 /nfs/dbraw/zinc/83/02/82/1069830282.db2.gz HCKOFGVERRSXIY-KSEOMHKRSA-N 2 0 479.691 1.988 20 0 JDADRP COC(=O)[C@H]1C[C@@H](C(F)(F)F)CN(C(=O)NCCC[NH+]2CCN(c3cc[nH+]cc3)CC2)C1 ZINC001477659782 1069841581 /nfs/dbraw/zinc/84/15/81/1069841581.db2.gz BRCZCWSUMQTRIS-DLBZAZTESA-N 2 0 457.497 1.977 20 0 JDADRP CN(CCN1C(=O)c2ccccc2C1=O)C(=O)NCCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001477660199 1069842035 /nfs/dbraw/zinc/84/20/35/1069842035.db2.gz LBDUKPYXTUAFPV-UHFFFAOYSA-N 2 0 450.543 1.531 20 0 JDADRP CC[N@H+](CCn1c(-c2cccnc2)nnc1N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1)C(C)C ZINC001502193721 1069849728 /nfs/dbraw/zinc/84/97/28/1069849728.db2.gz NPJLUVIXRIZONH-NRFANRHFSA-N 2 0 454.623 1.813 20 0 JDADRP CC(C)(C)NC(=O)C[NH+]1CCC(CNC(=O)N2CCC(CC[NH+]3CCOCC3)CC2)CC1 ZINC001478090910 1069896767 /nfs/dbraw/zinc/89/67/67/1069896767.db2.gz QDHMKVPULZTDJS-UHFFFAOYSA-N 2 0 451.656 1.757 20 0 JDADRP CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCC[NH+]2CCC(C)CC2)C[C@H]1C ZINC001502245428 1069920303 /nfs/dbraw/zinc/92/03/03/1069920303.db2.gz SNUWEQLPWACOCM-HSALFYBXSA-N 2 0 469.700 1.929 20 0 JDADRP CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H]3CCC(=O)N3)n2CC2CC[NH+](CCN(C)C)CC2)C[C@@H]1C ZINC001502255982 1069946288 /nfs/dbraw/zinc/94/62/88/1069946288.db2.gz SFBUZYRNUQAGJT-ZJOUEHCJSA-N 2 0 460.671 1.422 20 0 JDADRP CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H]3CCC(=O)N3)n2CC2CC[NH+](CCN(C)C)CC2)C[C@H]1C ZINC001502255979 1069947114 /nfs/dbraw/zinc/94/71/14/1069947114.db2.gz SFBUZYRNUQAGJT-DYXWJJEUSA-N 2 0 460.671 1.422 20 0 JDADRP CC[N@@H+]1C[C@@H](C)N(c2nnc([C@H]3OCC[C@H]3COC)n2CCN2CC[NH+](C)C(C)(C)C2)C[C@H]1C ZINC001502265794 1069976775 /nfs/dbraw/zinc/97/67/75/1069976775.db2.gz XGADEYSKTMEMMN-CZYKHXBRSA-N 2 0 477.698 1.947 20 0 JDADRP CC[N@@H+]1CC[C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@@H](C[NH+]3CCCCC3)C2)C1 ZINC001502270402 1069986308 /nfs/dbraw/zinc/98/63/08/1069986308.db2.gz LKOUMCQZMKYIIF-UFYCRDLUSA-N 2 0 467.684 1.542 20 0 JDADRP CC[N@@H+]1CC[C@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@@H](C[NH+]3CCCCC3)C2)C1 ZINC001502270400 1069986442 /nfs/dbraw/zinc/98/64/42/1069986442.db2.gz LKOUMCQZMKYIIF-AABGKKOBSA-N 2 0 467.684 1.542 20 0 JDADRP CC[N@@H+]1CC[C@H](Cn2c(C(=O)NC(C)C)nnc2N2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)C1 ZINC001502270684 1069989804 /nfs/dbraw/zinc/98/98/04/1069989804.db2.gz REWRXLFKKIVMLU-LEWJYISDSA-N 2 0 460.671 1.363 20 0 JDADRP C[C@H](NC(=O)NCC1([NH+]2CCN(c3ccccc3)CC2)CCOCC1)[C@H]1C[N@H+](C)CCN1C ZINC001478640489 1070034933 /nfs/dbraw/zinc/03/49/33/1070034933.db2.gz BJXGJCNQVBTNDG-JTHBVZDNSA-N 2 0 458.651 1.291 20 0 JDADRP C[NH+](C)C[C@@H]1CN(C(=O)NCc2cccc(N3C(=O)NC4(CCCC4)C3=O)c2)C[C@H]1C[NH+](C)C ZINC001478772214 1070050005 /nfs/dbraw/zinc/05/00/05/1070050005.db2.gz XDUUJKODXDDNOK-WOJBJXKFSA-N 2 0 470.618 1.936 20 0 JDADRP CC[NH+]1CCN([C@@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC[NH+](CCC(C)(C)C)CC2)CC1 ZINC001502312548 1070084390 /nfs/dbraw/zinc/08/43/90/1070084390.db2.gz OELSZOYHJRQXNY-SFTDATJTSA-N 2 0 474.698 1.813 20 0 JDADRP CC[NH+](CC)C[C@@H]1CCN(c2nnc(-c3cnccn3)n2C[C@H](C)N2CC[NH+](CC)CC2)C1 ZINC001502312910 1070085433 /nfs/dbraw/zinc/08/54/33/1070085433.db2.gz UYBHKLVPIZJXSY-SFTDATJTSA-N 2 0 455.655 1.929 20 0 JDADRP CC[NH+](CC)C[C@H]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H](C)N2CC[NH+](CC)CC2)C1 ZINC001502313368 1070087867 /nfs/dbraw/zinc/08/78/67/1070087867.db2.gz CTPWXHAUWJZPTN-YPAWHYETSA-N 2 0 495.738 1.374 20 0 JDADRP CC[NH+]1CCN([C@@H](C)Cn2c(Cc3ccncc3)nnc2N2CC[N@H+](CCOC)[C@H](C)C2)CC1 ZINC001502315176 1070098584 /nfs/dbraw/zinc/09/85/84/1070098584.db2.gz IILRLHVDOLNGTB-YADHBBJMSA-N 2 0 470.666 1.447 20 0 JDADRP CC[N@@H+]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@]2(O)CC[NH+](C)C2)C[C@H]1C ZINC001502317303 1070119917 /nfs/dbraw/zinc/11/99/17/1070119917.db2.gz DVLJYUHGSXNJHB-DVECYGJZSA-N 2 0 455.607 1.744 20 0 JDADRP CC[N@@H+]1CCN(c2nnc(C(=O)Nc3ccc(C)c(C)c3)n2C[C@@]2(O)CC[NH+](C)C2)C[C@H]1C ZINC001502317304 1070120183 /nfs/dbraw/zinc/12/01/83/1070120183.db2.gz DVLJYUHGSXNJHB-NTKDMRAZSA-N 2 0 455.607 1.744 20 0 JDADRP CC[N@@H+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC001502318247 1070128639 /nfs/dbraw/zinc/12/86/39/1070128639.db2.gz XLPPKEXKBUZOEZ-VJANTYMQSA-N 2 0 485.699 1.307 20 0 JDADRP CC[N@@H+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@]2([NH+](C)C)CCSC2)C[C@H]1C ZINC001502318229 1070128711 /nfs/dbraw/zinc/12/87/11/1070128711.db2.gz WRFDUGHOXVBDKU-VGSWGCGISA-N 2 0 458.636 1.893 20 0 JDADRP CC[N@@H+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2([NH+]3CCCC3)CCOCC2)C[C@H]1C ZINC001502318192 1070125571 /nfs/dbraw/zinc/12/55/71/1070125571.db2.gz WFWGQJIGXUSBOD-RTBURBONSA-N 2 0 483.683 1.064 20 0 JDADRP CC[N@@H+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2([NH+]3CCCC3)CCOCC2)C[C@@H]1C ZINC001502318190 1070126620 /nfs/dbraw/zinc/12/66/20/1070126620.db2.gz WFWGQJIGXUSBOD-OALUTQOASA-N 2 0 483.683 1.064 20 0 JDADRP CC[N@@H+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@@H](C)C2)C[C@@H]1C ZINC001502318246 1070127701 /nfs/dbraw/zinc/12/77/01/1070127701.db2.gz XLPPKEXKBUZOEZ-OKYOBFRVSA-N 2 0 485.699 1.307 20 0 JDADRP CC[NH+]1CCN([C@H]2CCN(c3nnc(C(=O)NC(C)C)n3CC[NH+]3CCCCCC3)C2)CC1 ZINC001502332506 1070171416 /nfs/dbraw/zinc/17/14/16/1070171416.db2.gz MBRWHHQFUYTPKF-NRFANRHFSA-N 2 0 460.671 1.509 20 0 JDADRP CC[NH+]1CCN([C@H]2CCN(c3nnc(C)n3CCc3ccc(OCC[NH+](C)C)cc3)C2)CC1 ZINC001502333642 1070179891 /nfs/dbraw/zinc/17/98/91/1070179891.db2.gz NMNKZRMNEZHKGQ-QHCPKHFHSA-N 2 0 455.651 1.986 20 0 JDADRP CC[NH+]1CCN([C@@H]2CCN(c3nnc(C)n3CCc3ccc(OCC[NH+](C)C)cc3)C2)CC1 ZINC001502333641 1070180165 /nfs/dbraw/zinc/18/01/65/1070180165.db2.gz NMNKZRMNEZHKGQ-HSZRJFAPSA-N 2 0 455.651 1.986 20 0 JDADRP CCN1CC[NH+](C[C@@H](C)Cn2c(C(=O)NC(C)C)nnc2N2CCC[N@@H+](C(C)C)CC2)CC1 ZINC001502337609 1070207749 /nfs/dbraw/zinc/20/77/49/1070207749.db2.gz LDZKZINWKJPLHG-OAQYLSRUSA-N 2 0 462.687 1.610 20 0 JDADRP CCN1CC[NH+](C[C@H](C)Cn2c([C@H]3CCOC3)nnc2N2CC[N@H+](CCOC)[C@H](C)C2)CC1 ZINC001502343767 1070242853 /nfs/dbraw/zinc/24/28/53/1070242853.db2.gz UGLNGOVHXDGJMX-BDTNDASRSA-N 2 0 463.671 1.213 20 0 JDADRP CCN1CC[NH+](C[C@@H](C)Cn2c(CN3CCCC3=O)nnc2N2CC[NH+](C(C)C)CC2)CC1 ZINC001502345428 1070250905 /nfs/dbraw/zinc/25/09/05/1070250905.db2.gz BFTGKHXFGDNMMG-OAQYLSRUSA-N 2 0 460.671 1.205 20 0 JDADRP CC[NH+]1CCN(CCCn2c(C(C)C)nnc2N2C[C@@H](C)[C@@H]([N@@H+]3CCCN(C(C)=O)CC3)C2)CC1 ZINC001502352682 1070274790 /nfs/dbraw/zinc/27/47/90/1070274790.db2.gz KYWKKSUHVMYXSH-VWNXMTODSA-N 2 0 488.725 1.808 20 0 JDADRP CC[NH+]1CCN(CCCn2c(C(=O)NC(C)C)nnc2N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)CC1 ZINC001502352991 1070277803 /nfs/dbraw/zinc/27/78/03/1070277803.db2.gz UPQBGNZNLOICCY-OAQYLSRUSA-N 2 0 474.698 1.755 20 0 JDADRP CCN1CC[NH+](CCCCn2c(N3CCN(C(=O)C[NH+]4CCCC4)CC3)nnc2C(C)(C)C)CC1 ZINC001502353038 1070280682 /nfs/dbraw/zinc/28/06/82/1070280682.db2.gz WMZJOIVJOHWOQG-UHFFFAOYSA-N 2 0 488.725 1.738 20 0 JDADRP CC[NH+]1CCN(CCCn2c([C@H]3OCC[C@H]3COC)nnc2N2CC[NH+](C(C)(C)C)CC2)CC1 ZINC001502360177 1070301353 /nfs/dbraw/zinc/30/13/53/1070301353.db2.gz JKPPULGJCNNQNG-VXKWHMMOSA-N 2 0 477.698 1.950 20 0 JDADRP C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[NH+](C2CCOCC2)CC1)[N@@H+]1CCC[C@@H](C)C1 ZINC001493690849 1070336696 /nfs/dbraw/zinc/33/66/96/1070336696.db2.gz LDZROQMHQKIGDC-AABGKKOBSA-N 2 0 497.710 1.310 20 0 JDADRP C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C3CCOCC3)C[C@@H]2C)n1CC[N@@H+]1CCC[C@@H](C)C1 ZINC001493796718 1070348306 /nfs/dbraw/zinc/34/83/06/1070348306.db2.gz MGSDMKUZQHNOSN-HSALFYBXSA-N 2 0 497.710 1.310 20 0 JDADRP C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1CCC[NH+]1CCC(C)CC1 ZINC001494054770 1070382650 /nfs/dbraw/zinc/38/26/50/1070382650.db2.gz HXSUXDUGXGHNCF-LJQANCHMSA-N 2 0 469.700 1.931 20 0 JDADRP CC(C)NC(=O)c1nnc(N2CC[NH+](C3CCC3)C[C@H](C)C2)n1C[C@@H]1CCC[N@@H+]1CCCO ZINC001494142237 1070439685 /nfs/dbraw/zinc/43/96/85/1070439685.db2.gz UJNVPXQCLUIVHQ-FPOVZHCZSA-N 2 0 461.655 1.574 20 0 JDADRP CC(C)NC(=O)c1nnc(N2CC[NH+](C3CCC3)C[C@@H](C)C2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001494142245 1070438459 /nfs/dbraw/zinc/43/84/59/1070438459.db2.gz UJNVPXQCLUIVHQ-TZIWHRDSSA-N 2 0 461.655 1.574 20 0 JDADRP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+](C3CCC3)C[C@H](C)C2)n1CC[NH+]1CCSCC1 ZINC001494201259 1070487764 /nfs/dbraw/zinc/48/77/64/1070487764.db2.gz OAKXRQADILVEAE-ROUUACIJSA-N 2 0 485.724 1.248 20 0 JDADRP C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+](C3CCC3)C[C@@H](C)C2)n1CC[NH+]1CCSCC1 ZINC001494201258 1070488445 /nfs/dbraw/zinc/48/84/45/1070488445.db2.gz OAKXRQADILVEAE-QZTJIDSGSA-N 2 0 485.724 1.248 20 0 JDADRP C[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCOCC[NH+](C)C)CC[N@@H+](C2CCC2)C1 ZINC001494348347 1070559884 /nfs/dbraw/zinc/55/98/84/1070559884.db2.gz UCDTUPDGUPVXQV-OALUTQOASA-N 2 0 468.668 1.069 20 0 JDADRP C[C@@H]1C[NH+](CCCn2c(C(=O)N3CCCC3)nnc2N2CC[NH+](C(C)(C)C)CC2)C[C@@H](C)O1 ZINC001494518653 1070610144 /nfs/dbraw/zinc/61/01/44/1070610144.db2.gz KGLUCZKFXYIKRM-WOJBJXKFSA-N 2 0 461.655 1.934 20 0 JDADRP CC(C)c1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1CCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC001494518099 1070609217 /nfs/dbraw/zinc/60/92/17/1070609217.db2.gz GVANBUARUUTCJQ-OYRHEFFESA-N 2 0 461.655 1.645 20 0 JDADRP C[C@@H]1C[N@H+](CCCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCC[NH+](C(C)(C)C)CC2)CCCO1 ZINC001494532879 1070625842 /nfs/dbraw/zinc/62/58/42/1070625842.db2.gz ZUARHCKXRITXSC-NHCUHLMSSA-N 2 0 496.722 1.992 20 0 JDADRP CCO[C@]1(c2nnc(N3CC[C@@H](C[NH+](CC)CC)C3)n2C[C@]2(O)CC[N@H+](C)C2)CCOC1 ZINC001502680741 1070769047 /nfs/dbraw/zinc/76/90/47/1070769047.db2.gz WQNFTURCLKGJMN-AJSBUHFISA-N 2 0 450.628 1.165 20 0 JDADRP CCO[C@@]1(c2nnc(N3CCC([NH2+]C(C)C)CC3)n2CC[NH+]2CCSCC2)CCOC1 ZINC001502683653 1070782978 /nfs/dbraw/zinc/78/29/78/1070782978.db2.gz UQYMJOLOVJYVOI-QFIPXVFZSA-N 2 0 452.669 1.946 20 0 JDADRP CC[C@@H](C)c1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1C[C@H](C)C[NH+]1CCOCC1 ZINC001495695714 1070815595 /nfs/dbraw/zinc/81/55/95/1070815595.db2.gz KTSWBPDVXOYHMP-NHCUHLMSSA-N 2 0 461.655 1.504 20 0 JDADRP CCO[C@@]1(c2nnc(N3CC[NH+](C(C)C)CC3)n2CCC[NH+]2CCC(O)CC2)CCOC1 ZINC001502714679 1070823166 /nfs/dbraw/zinc/82/31/66/1070823166.db2.gz PBZSPJYPTSFCEP-QHCPKHFHSA-N 2 0 450.628 1.307 20 0 JDADRP CCO[C@]1(c2nnc(N3CC[NH+](C4CCOCC4)CC3)n2C[C@H](C)[NH+](CC)CC)CCOC1 ZINC001502720772 1070828426 /nfs/dbraw/zinc/82/84/26/1070828426.db2.gz AQFSOWOGIICLGM-GBXCKJPGSA-N 2 0 464.655 1.962 20 0 JDADRP CC[C@H](C)[N@H+](C)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001496117883 1070831549 /nfs/dbraw/zinc/83/15/49/1070831549.db2.gz VQFNSYRBDCGXBH-OTWHNJEPSA-N 2 0 455.673 1.683 20 0 JDADRP CC[C@H](C)[N@H+](C)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001496117879 1070831555 /nfs/dbraw/zinc/83/15/55/1070831555.db2.gz VQFNSYRBDCGXBH-GBESFXJTSA-N 2 0 455.673 1.683 20 0 JDADRP COc1ccc(-c2nnc(N3CCN(C(=O)C[NH+]4CCCC4)CC3)n2C[C@@H](C)[NH+](C)C)cc1OC ZINC001504198227 1070875929 /nfs/dbraw/zinc/87/59/29/1070875929.db2.gz RSDSNGWDYCBQIP-LJQANCHMSA-N 2 0 485.633 1.657 20 0 JDADRP COc1ccc(-c2nnc(N3CCN4CCOC[C@@H]4C3)n2CCOCC[NH+](C)C)c(OC)c1 ZINC001504200130 1070878821 /nfs/dbraw/zinc/87/88/21/1070878821.db2.gz OEINGIYYBDZGST-SFHVURJKSA-N 2 0 460.579 1.061 20 0 JDADRP CCOCc1nnc(N2C[C@H](C)[C@H]([N@@H+]3CCCN(C(C)=O)CC3)C2)n1CC[NH+]1CCC[C@H]1C ZINC001503029490 1070980884 /nfs/dbraw/zinc/98/08/84/1070980884.db2.gz AEGJRGSXLUFLHZ-TUNNFDKTSA-N 2 0 461.655 1.678 20 0 JDADRP CCOCc1nnc(N2C[C@H](C)[C@H]([N@@H+]3CCCN(C(C)=O)CC3)C2)n1CC1([NH+](C)C)CCC1 ZINC001503033320 1070987366 /nfs/dbraw/zinc/98/73/66/1070987366.db2.gz MBCUIZIAAGAIJS-PZJWPPBQSA-N 2 0 461.655 1.678 20 0 JDADRP CCOCc1nnc(N2CC[C@H](N3CC[NH+](CC)CC3)C2)n1C[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC001503060909 1071016719 /nfs/dbraw/zinc/01/67/19/1071016719.db2.gz LAXKFJPLAWJZQQ-VXKWHMMOSA-N 2 0 463.671 1.388 20 0 JDADRP CCOCc1nnc(N2CCCN(CC(=O)N3CCCC3)CC2)n1C[C@@H](C(C)C)N1CCOCC1 ZINC001503093399 1071036464 /nfs/dbraw/zinc/03/64/64/1071036464.db2.gz GTGYRYCOBHWTIS-QFIPXVFZSA-N 2 0 491.681 1.306 20 0 JDADRP CCOCc1nnc(N2CCC[N@H+](Cc3cnn(C)c3)CC2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001503096186 1071038555 /nfs/dbraw/zinc/03/85/55/1071038555.db2.gz MUOFWLLVGRREPP-UHFFFAOYSA-N 2 0 474.654 1.496 20 0 JDADRP CCOCc1nnc(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)n1C[C@H](C)C[NH+]1CCCCC1 ZINC001503099217 1071045424 /nfs/dbraw/zinc/04/54/24/1071045424.db2.gz QIDXUFQGWASAPN-NHCUHLMSSA-N 2 0 461.655 1.679 20 0 JDADRP COc1cccc([C@H](Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[NH+](C(C)C)CC2)[NH+](C)C)c1 ZINC001504323172 1071057252 /nfs/dbraw/zinc/05/72/52/1071057252.db2.gz AMQXSZQLKJWHMZ-RXVVDRJESA-N 2 0 493.678 1.730 20 0 JDADRP CCOCC[N@@H+]1CCN(c2nnc([C@H]3CCOC3)n2CC2(O)CC[NH+](C(C)C)CC2)C[C@H]1CC ZINC001503224506 1071192314 /nfs/dbraw/zinc/19/23/14/1071192314.db2.gz UHMSNTKGERSHSS-FCHUYYIVSA-N 2 0 478.682 1.954 20 0 JDADRP COC1CC[NH+](C(C)(C)Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[N@@H+]3CCCC[C@@H]3C2)CC1 ZINC001504489490 1071263630 /nfs/dbraw/zinc/26/36/30/1071263630.db2.gz ICWBTYMNBMQBNV-RTBURBONSA-N 2 0 497.710 1.452 20 0 JDADRP COC1CC[NH+](C(C)(C)Cn2c(C(=O)N3CCCC3)nnc2N2CC[NH+](C(C)C)CC2)CC1 ZINC001504490120 1071265380 /nfs/dbraw/zinc/26/53/80/1071265380.db2.gz MPORCXVZKKWENN-UHFFFAOYSA-N 2 0 461.655 1.934 20 0 JDADRP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCCn1c(N2CC[NH+](C3CCOCC3)CC2)nnc1C(C)(C)C ZINC001503356861 1071556890 /nfs/dbraw/zinc/55/68/90/1071556890.db2.gz BDWHFXFQSNARTQ-OAQYLSRUSA-N 2 0 475.682 1.819 20 0 JDADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001503357960 1071562180 /nfs/dbraw/zinc/56/21/80/1071562180.db2.gz CEGAMOLHAIRYSG-OALUTQOASA-N 2 0 474.654 1.092 20 0 JDADRP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001503357959 1071562584 /nfs/dbraw/zinc/56/25/84/1071562584.db2.gz CEGAMOLHAIRYSG-MOPGFXCFSA-N 2 0 474.654 1.092 20 0 JDADRP C[NH+](C)[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1)C1CC1 ZINC001503383134 1071639168 /nfs/dbraw/zinc/63/91/68/1071639168.db2.gz QMSGGPDHIWEWHB-UXHICEINSA-N 2 0 497.710 1.262 20 0 JDADRP C[NH+](C)CC(C)(C)Cn1c(Cc2ccncc2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001503399178 1071659232 /nfs/dbraw/zinc/65/92/32/1071659232.db2.gz RQTXPNDLZRZWJU-NRFANRHFSA-N 2 0 468.650 1.595 20 0 JDADRP COCC[N@H+](C)CCCn1c(-c2cccc(C)n2)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001504851936 1071752038 /nfs/dbraw/zinc/75/20/38/1071752038.db2.gz SBQXTMLPQGRFOV-UHFFFAOYSA-N 2 0 457.623 1.918 20 0 JDADRP COCC[N@H+](C)CCCn1c(-c2cnccn2)nnc1N1C[C@H](C)[C@H]([NH+]2CCCN(C(C)=O)CC2)C1 ZINC001504850521 1071748495 /nfs/dbraw/zinc/74/84/95/1071748495.db2.gz GNDYXNLNHBNLIK-NZQKXSOJSA-N 2 0 499.664 1.082 20 0 JDADRP COCC[N@H+](C)CCCn1c(-c2ccccn2)nnc1N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001504851318 1071750323 /nfs/dbraw/zinc/75/03/23/1071750323.db2.gz LDUNXSUNRMRJOU-NRFANRHFSA-N 2 0 470.622 1.051 20 0 JDADRP COCC[N@H+](C)CCn1c(-c2cccc(Cl)c2)nnc1N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001504854176 1071761478 /nfs/dbraw/zinc/76/14/78/1071761478.db2.gz KDKDUKGHFWWXIF-NRFANRHFSA-N 2 0 490.052 1.920 20 0 JDADRP COCC[N@H+](C)CCn1c(-c2cccc(C)n2)nnc1N1C[C@@H](C)[C@@H]([NH+]2CCCN(C(C)=O)CC2)C1 ZINC001504857034 1071773203 /nfs/dbraw/zinc/77/32/03/1071773203.db2.gz IIAFARQXPMFCMU-YKSBVNFPSA-N 2 0 498.676 1.606 20 0 JDADRP COCC[N@H+](C)CCn1c(-c2cccc(C)n2)nnc1N1C[C@H]([NH+]2CCCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001504857033 1071773340 /nfs/dbraw/zinc/77/33/40/1071773340.db2.gz IIAFARQXPMFCMU-RDPSFJRHSA-N 2 0 498.676 1.606 20 0 JDADRP COCC[N@H+](C)CCn1c(-c2noc3c2COCC3)nnc1N1CCC[NH+](C(C)(C)C)CC1 ZINC001504857746 1071779372 /nfs/dbraw/zinc/77/93/72/1071779372.db2.gz QZDQJUNQPNNZLZ-UHFFFAOYSA-N 2 0 461.611 1.895 20 0 JDADRP COCC[N@@H+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](C)[NH+]2CCC(C)CC2)C[C@@H]1C ZINC001504904012 1071842600 /nfs/dbraw/zinc/84/26/00/1071842600.db2.gz IGQVJDLQZRQOOA-ZCNNSNEGSA-N 2 0 485.699 1.166 20 0 JDADRP COCC[N@@H+]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C)C[NH+]2CCCCC2)C[C@H]1C ZINC001504904950 1071845493 /nfs/dbraw/zinc/84/54/93/1071845493.db2.gz HVMXXZHHZSBTPD-NHCUHLMSSA-N 2 0 461.655 1.793 20 0 JDADRP COCC[N@@H+]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@]2([NH+](C)C)CCSC2)C[C@H]1C ZINC001504906485 1071850578 /nfs/dbraw/zinc/85/05/78/1071850578.db2.gz YWEHQNSTKCFRJQ-DYESRHJHSA-N 2 0 453.657 1.011 20 0 JDADRP COCC[N@@H+]1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@]2([NH+](C)C)CCSC2)C[C@@H]1C ZINC001504910000 1071863286 /nfs/dbraw/zinc/86/32/86/1071863286.db2.gz JNUXLKKGVHIINO-ZTCOLXNVSA-N 2 0 496.722 1.913 20 0 JDADRP COCC[N@@H+]1CCN(c2nnc(-c3cccnc3)n2CCC[NH+]2CCCO[C@H](C)C2)C[C@H]1C ZINC001504914701 1071875572 /nfs/dbraw/zinc/87/55/72/1071875572.db2.gz PTWQRVCQLQDCNQ-NHCUHLMSSA-N 2 0 457.623 1.998 20 0 JDADRP COCC[N@@H+]1CCN(c2nnc(-c3cccc(C)n3)n2CCC[NH+]2CCC[C@H]2C(=O)N(C)C)C[C@@H]1C ZINC001504917194 1071883281 /nfs/dbraw/zinc/88/32/81/1071883281.db2.gz OSTAONKUUSUHFL-GMAHTHKFSA-N 2 0 498.676 1.748 20 0 JDADRP COCC[N@@H+]1CCN(c2nnc(-c3ccccn3)n2CCC[NH+]2CCC[C@@H]2C(=O)N(C)C)C[C@@H]1C ZINC001504916004 1071879034 /nfs/dbraw/zinc/87/90/34/1071879034.db2.gz PKLQLGGDKCDPNG-RBBKRZOGSA-N 2 0 484.649 1.440 20 0 JDADRP COCC[N@@H+]1CCN(c2nnc(-c3cnccn3)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)C[C@H]1C ZINC001504916285 1071880127 /nfs/dbraw/zinc/88/01/27/1071880127.db2.gz FESJIPZMCTYHTE-AABGKKOBSA-N 2 0 472.638 1.780 20 0 JDADRP COCC[N@@H+]1CCN(c2nnc(-c3cnccn3)n2C[C@H]2C[NH+](CC(C)C)CCO2)C[C@@H]1C ZINC001504916592 1071880713 /nfs/dbraw/zinc/88/07/13/1071880713.db2.gz HOZNPBJCSQJQSB-VQTJNVASSA-N 2 0 458.611 1.249 20 0 JDADRP COCC[N@@H+]1CCN(c2nnc(-c3cnccn3)n2C[C@@H]2C[NH+](CC(C)C)CCO2)C[C@H]1C ZINC001504916591 1071880789 /nfs/dbraw/zinc/88/07/89/1071880789.db2.gz HOZNPBJCSQJQSB-UXHICEINSA-N 2 0 458.611 1.249 20 0 JDADRP COCC[N@@H+]1CCN(c2nnc(-c3cnccn3)n2CC2(SC)CC[NH+](C)CC2)C[C@H]1C ZINC001504916602 1071881131 /nfs/dbraw/zinc/88/11/31/1071881131.db2.gz HVJFOBPVOHZNMG-GOSISDBHSA-N 2 0 460.652 1.719 20 0 JDADRP COCC[N@@H+]1CCN(c2nnc(-c3cnccn3)n2CC2(SC)CC[NH+](C)CC2)C[C@@H]1C ZINC001504916603 1071881179 /nfs/dbraw/zinc/88/11/79/1071881179.db2.gz HVJFOBPVOHZNMG-SFHVURJKSA-N 2 0 460.652 1.719 20 0 JDADRP COCC[N@@H+]1CCN(c2nnc(CCOc3ccccc3)n2C[C@@]2(O)CC[NH+](C)C2)C[C@H]1C ZINC001504923804 1071903827 /nfs/dbraw/zinc/90/38/27/1071903827.db2.gz JYZAXGDGFBVRQY-HYBUGGRVSA-N 2 0 458.607 1.123 20 0 JDADRP COCCO[C@H](C)c1nnc(N2C[C@H]3CCC[N@@H+]3C[C@H]2C)n1CC1([NH+](C)C)CCOCC1 ZINC001504949676 1071994761 /nfs/dbraw/zinc/99/47/61/1071994761.db2.gz IUHLDBIAWPXHQU-VAMGGRTRSA-N 2 0 450.628 1.786 20 0 JDADRP COCCO[C@@H](C)c1nnc(N2CC[NH+](C3CCC3)CC2)n1CC1([NH+](C)C)CCOCC1 ZINC001504996078 1072067033 /nfs/dbraw/zinc/06/70/33/1072067033.db2.gz UQEMODRZWIHICU-IBGZPJMESA-N 2 0 450.628 1.787 20 0 JDADRP COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC[C@H](C[NH+]3CCOCC3)C2)n1C[C@H](C)[NH+](C)C ZINC001505079700 1072199130 /nfs/dbraw/zinc/19/91/30/1072199130.db2.gz KMCFZOORMGQFHI-WOZUAGRISA-N 2 0 450.628 1.501 20 0 JDADRP COC[C@@H]1CCO[C@@H]1c1nnc(N2CC[NH+](CC(C)C)CC2)n1CC1([NH+](C)C)CCOCC1 ZINC001505080609 1072204496 /nfs/dbraw/zinc/20/44/96/1072204496.db2.gz NWRNBIIPWZULEP-SFTDATJTSA-N 2 0 464.655 1.891 20 0 JDADRP CON(C)c1nnc(C(=O)Nc2ccccn2)n1CCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC001505088204 1072229974 /nfs/dbraw/zinc/22/99/74/1072229974.db2.gz YDNHUTDZVKFPGC-UHFFFAOYSA-N 2 0 451.535 1.530 20 0 JDADRP CCOC(=O)[C@@H](C)NC(=O)c1ccc(NC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)cc1F ZINC001465786054 1067830423 /nfs/dbraw/zinc/83/04/23/1067830423.db2.gz ZRZJEILPWYKSPG-BRWVUGGUSA-N 2 0 465.570 1.710 20 0 JDADRP O=C(NCCCC[NH+]1CCOCC1)NCC1([NH+]2CCN(c3ccccc3)CC2)CCOCC1 ZINC001467733335 1068058446 /nfs/dbraw/zinc/05/84/46/1068058446.db2.gz JIAOCSQXCSDXGI-UHFFFAOYSA-N 2 0 459.635 1.769 20 0 JDADRP C[C@H]1CN(C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)CC[C@H]1[NH+]1CCN(C)CC1 ZINC001468657964 1068336751 /nfs/dbraw/zinc/33/67/51/1068336751.db2.gz QWASDHTZISQDPU-FCHUYYIVSA-N 2 0 458.655 1.046 20 0 JDADRP CN(C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(=O)N[C@@H]1CCC[NH+](CCN2CCOCC2)C1 ZINC001471183140 1068841378 /nfs/dbraw/zinc/84/13/78/1068841378.db2.gz XLEUXXUWCGSWGF-ILBGXUMGSA-N 2 0 459.635 1.061 20 0 JDADRP Cc1ccc(S(=O)(=O)NCCC[NH+](C)C)cc1C(=O)N1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC001471937303 1068932803 /nfs/dbraw/zinc/93/28/03/1068932803.db2.gz ZJOZCTRIDNTECO-IBGZPJMESA-N 2 0 459.616 1.971 20 0 JDADRP CC[C@H]1C(=O)NCCN1c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1CC[N@H+](C)C(C)C ZINC001499322744 1068981577 /nfs/dbraw/zinc/98/15/77/1068981577.db2.gz UDSYOJXIOMVQHH-QHCPKHFHSA-N 2 0 482.677 1.698 20 0 JDADRP CC[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2CCC[NH+]2CCN(c3cc[nH+]cc3)CC2)CCO1 ZINC001499643860 1069024909 /nfs/dbraw/zinc/02/49/09/1069024909.db2.gz XGZCRDGAIXTRGH-OAQYLSRUSA-N 2 0 470.622 1.639 20 0 JDADRP CC[C@H]1CN(c2nnc(-c3cccnc3)n2C[C@@H](C)N2CC[NH+](CC)CC2)CC[N@@H+]1CCOC ZINC001499712177 1069046204 /nfs/dbraw/zinc/04/62/04/1069046204.db2.gz SLSSIIJDTDGRBN-GGAORHGYSA-N 2 0 470.666 1.913 20 0 JDADRP CC[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)CC[N@@H+]1CCOC ZINC001499721109 1069050664 /nfs/dbraw/zinc/05/06/64/1069050664.db2.gz BOMDJSXSDMWDSF-BURNTYAHSA-N 2 0 491.681 1.664 20 0 JDADRP CC[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@@H](C)C2)CC[N@@H+]1CCOC ZINC001499721110 1069050697 /nfs/dbraw/zinc/05/06/97/1069050697.db2.gz BOMDJSXSDMWDSF-MHTWAQMVSA-N 2 0 491.681 1.664 20 0 JDADRP CCC[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CC[NH+]2CCC[C@H]2C)CC[N@@H+]1CCOC ZINC001500223870 1069217864 /nfs/dbraw/zinc/21/78/64/1069217864.db2.gz NTAUPZLUNCQSGH-NHCUHLMSSA-N 2 0 461.655 1.936 20 0 JDADRP CCC[N@H+](C)C[C@H]1CCN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C)N2CC[NH+](CC)CC2)C1 ZINC001500703212 1069298690 /nfs/dbraw/zinc/29/86/90/1069298690.db2.gz OEEJRSJFVDNKND-FCHUYYIVSA-N 2 0 474.698 1.708 20 0 JDADRP CCC[N@H+](C)C[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCC[NH+]2CCCO[C@@H](C)C2)C1 ZINC001500716777 1069301318 /nfs/dbraw/zinc/30/13/18/1069301318.db2.gz MXRJPMUQFKLDQF-ACRUOGEOSA-N 2 0 461.655 1.898 20 0 JDADRP CCC[N@H+](C)C[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC[NH+]2CCCO[C@H](C)C2)C1 ZINC001500720136 1069302831 /nfs/dbraw/zinc/30/28/31/1069302831.db2.gz CQPAJCLTJGRZLS-FSSWDIPSSA-N 2 0 496.722 1.849 20 0 JDADRP CCOC(=O)[C@@H]1Cc2cc(S(=O)(=O)N(CC[NH+](C)C)C[C@H]3CCC[N@@H+]3CC)ccc2O1 ZINC001474915148 1069303398 /nfs/dbraw/zinc/30/33/98/1069303398.db2.gz NVXNMFODGZSYAS-NQIIRXRSSA-N 2 0 453.605 1.590 20 0 JDADRP CCC[N@H+](C)C[C@@H]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@H](C2CC2)[NH+](C)C)C1 ZINC001500721607 1069304743 /nfs/dbraw/zinc/30/47/43/1069304743.db2.gz ZXKAUWYTJCQVQQ-IHPCNDPISA-N 2 0 452.669 1.689 20 0 JDADRP CC(=O)N1CCC[NH+]([C@@H]2CN(c3nnc(Cc4cccnc4)n3CC[N@@H+](C)C(C)C)C[C@H]2C)CC1 ZINC001508229685 1072993319 /nfs/dbraw/zinc/99/33/19/1072993319.db2.gz CEOIEEMYCWXZGW-ZJSXRUAMSA-N 2 0 482.677 1.983 20 0 JDADRP CC(=O)N1CCC[N@@H+]([C@@H]2CN(c3nnc(C)n3CC(C)(C)[NH+]3C[C@@H](C)O[C@@H](C)C3)C[C@H]2C)CC1 ZINC001508231804 1072997376 /nfs/dbraw/zinc/99/73/76/1072997376.db2.gz IWTTYZHJWJJBIT-ISHFTEKXSA-N 2 0 475.682 1.853 20 0 JDADRP CC(=O)N1CCC[N@@H+]([C@H]2CN(c3nnc(C)n3Cc3ccc(OCC[NH+](C)C)cc3)C[C@@H]2C)CC1 ZINC001508233670 1073001917 /nfs/dbraw/zinc/00/19/17/1073001917.db2.gz RCMDSPZMLKVIJX-CPJSRVTESA-N 2 0 483.661 1.954 20 0 JDADRP CC(=O)N1CCC[N@@H+]([C@H]2CN(c3nnc(-c4cnccn4)n3CC(C)(C)C[NH+](C)C)C[C@H]2C)CC1 ZINC001508234407 1073003590 /nfs/dbraw/zinc/00/35/90/1073003590.db2.gz VCJMGRRLPZUGEA-KNQAVFIVSA-N 2 0 483.665 1.702 20 0 JDADRP CC(C)(C)CC[NH+]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCCC[NH+]2CCOCC2)CC1 ZINC001508617710 1073286986 /nfs/dbraw/zinc/28/69/86/1073286986.db2.gz DWHSVLRZZSUYJZ-HXUWFJFHSA-N 2 0 461.655 1.900 20 0 JDADRP CC(C)[C@@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[NH+](C(C)C)CC1)[NH+]1CCCC1 ZINC001508875734 1073436798 /nfs/dbraw/zinc/43/67/98/1073436798.db2.gz RKKKWKKPYLQMET-RTWAWAEBSA-N 2 0 497.710 1.262 20 0 JDADRP CC(C)c1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001508994490 1073467181 /nfs/dbraw/zinc/46/71/81/1073467181.db2.gz UTCKZGDZXIWFQS-UHFFFAOYSA-N 2 0 461.655 1.381 20 0 JDADRP CC(C)C[C@H](Cn1c([C@H]2CCCO2)nnc1N1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)[NH+](C)C ZINC001509116562 1073505981 /nfs/dbraw/zinc/50/59/81/1073505981.db2.gz CRONZMXKRZOGOE-QHAWAJNXSA-N 2 0 461.655 1.849 20 0 JDADRP CC(C)C[NH+]1CCN(c2nnc(-c3cnn(C)c3)n2CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC001509423529 1073597203 /nfs/dbraw/zinc/59/72/03/1073597203.db2.gz UVBYBDRBGQEVGO-OAQYLSRUSA-N 2 0 471.654 1.399 20 0 JDADRP CC(C)C[NH+]1CCN(c2nnc(-c3cnn(C)c3)n2CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC001509423525 1073597447 /nfs/dbraw/zinc/59/74/47/1073597447.db2.gz UVBYBDRBGQEVGO-NRFANRHFSA-N 2 0 471.654 1.399 20 0 JDADRP CC(C)C[N@@H+]1CCO[C@@H](Cn2c(C(C)C)nnc2N2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C1 ZINC001509436633 1073617606 /nfs/dbraw/zinc/61/76/06/1073617606.db2.gz SKNHOQUEICOFRP-RTWAWAEBSA-N 2 0 461.655 1.501 20 0 JDADRP CC(C)[N@H+](C)CCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC001509517329 1073660505 /nfs/dbraw/zinc/66/05/05/1073660505.db2.gz CIJMDVCESXKCFV-NHCUHLMSSA-N 2 0 482.695 1.459 20 0 JDADRP CC(C)[N@H+](C)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC[NH+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001509527527 1073668120 /nfs/dbraw/zinc/66/81/20/1073668120.db2.gz LIPALWWQOCDKQN-BDTNDASRSA-N 2 0 495.738 1.515 20 0 JDADRP CC(C)[N@H+](C)CCn1c(Cc2ccccn2)nnc1N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001509528193 1073669008 /nfs/dbraw/zinc/66/90/08/1073669008.db2.gz QPLXWCYNXVGDIP-NRFANRHFSA-N 2 0 454.623 1.347 20 0 JDADRP CC(C)[N@@H+]1CCCN(c2nnc([C@H]3CCC(=O)N3)n2CCC[NH+]2CCC[C@@H]2C(=O)N(C)C)CC1 ZINC001509561308 1073682921 /nfs/dbraw/zinc/68/29/21/1073682921.db2.gz RAEBAGOMRVMXNG-WOJBJXKFSA-N 2 0 474.654 1.092 20 0 JDADRP CC(C)[NH+]1CCC(O)(Cn2c(C(=O)N3CCCC3)nnc2N2CCC[N@@H+](C(C)C)CC2)CC1 ZINC001509565456 1073687384 /nfs/dbraw/zinc/68/73/84/1073687384.db2.gz RIPBMYMMBGACPW-UHFFFAOYSA-N 2 0 461.655 1.670 20 0 JDADRP O=C1OC2(CC[NH+](Cc3ccccc3)CC2)c2cnc(Cl)c(N3CCNC(=O)C34C[NH2+]C4)c21 ZINC001164410527 718878779 /nfs/dbraw/zinc/87/87/79/718878779.db2.gz CLQSSAIQFVCFQK-UHFFFAOYSA-N 2 0 467.957 1.675 20 0 JDADRP CC(C)[N@H+]1[C@@H]2CCN(c3nc(S(C)(=O)=O)nc4c3CC[NH2+]CC4)C[C@@H]2C[C@H]1Cn1cccn1 ZINC001164839422 720507740 /nfs/dbraw/zinc/50/77/40/720507740.db2.gz UECDPTZAWXXVQQ-BBTUJRGHSA-N 2 0 473.647 1.143 20 0 JDADRP O=C(c1cccnc1N1CC[C@@H]2[C@H](C[C@H](Cn3cncn3)[N@@H+]2CC2CC2)C1)N1CC[NH2+]CC1 ZINC001164746653 720837628 /nfs/dbraw/zinc/83/76/28/720837628.db2.gz PVLFJCIDCVJPJC-KCZVDYSFSA-N 2 0 450.591 1.098 20 0 JDADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CC[C@]4(C3)C[C@H](NC(=O)c3cnccn3)CCO4)c2)CC1 ZINC001164869045 721216195 /nfs/dbraw/zinc/21/61/95/721216195.db2.gz AUQZWNCWFLBNAD-HOYKHHGWSA-N 2 0 452.559 1.903 20 0 JDADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CC[C@@]4(C3)C[C@H](NC(=O)c3cnccn3)CCO4)c2)CC1 ZINC001164869046 721216361 /nfs/dbraw/zinc/21/63/61/721216361.db2.gz AUQZWNCWFLBNAD-KOSHJBKYSA-N 2 0 452.559 1.903 20 0 JDADRP C[N@H+](Cc1ccc(-n2cc3c(nc2=NCC2CC2)[C@H]2C[NH2+]C[C@@H]2S(=O)(=O)C3)nc1)C1CC1 ZINC001164793527 721475308 /nfs/dbraw/zinc/47/53/08/721475308.db2.gz WXZLBNXNIYVUHE-PMACEKPBSA-N 2 0 454.600 1.156 20 0 JDADRP Cn1cc(C(=O)NC[C@H]2OC[C@H]3CN(c4cc(OC5CC[NH+](C)CC5)cc[nH+]4)CC[C@H]32)cn1 ZINC001164962630 722032195 /nfs/dbraw/zinc/03/21/95/722032195.db2.gz YGZKHEMYXDLSFJ-STZQEDGTSA-N 2 0 454.575 1.559 20 0 JDADRP CCC[N@H+](CC)CCn1c(-c2cnn(C)c2)nnc1N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001500783794 1069310400 /nfs/dbraw/zinc/31/04/00/1069310400.db2.gz AOVWTNWSCIHEJT-FQEVSTJZSA-N 2 0 457.627 1.153 20 0 JDADRP CCC[N@H+](CC)CCn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC001500788236 1069313230 /nfs/dbraw/zinc/31/32/30/1069313230.db2.gz ZUYZMQARAKEUII-JOCHJYFZSA-N 2 0 474.698 1.956 20 0 JDADRP CCC[N@H+](CC)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001500789986 1069314853 /nfs/dbraw/zinc/31/48/53/1069314853.db2.gz MZGGBYBYFHAZBQ-IBGZPJMESA-N 2 0 485.699 1.263 20 0 JDADRP CCC[N@@H+]1CC[C@@H](Cn2c(C(=O)NC(C)C)nnc2N2CCC(C[NH+]3CCOCC3)CC2)C1 ZINC001500918626 1069327644 /nfs/dbraw/zinc/32/76/44/1069327644.db2.gz UZEIUUHILCJEHR-OAQYLSRUSA-N 2 0 461.655 1.697 20 0 JDADRP CCC[NH+]1CCC(N(C)c2nnc([C@H](C)NS(C)(=O)=O)n2CC[N@H+]2CC=CCC2)CC1 ZINC001500964410 1069341534 /nfs/dbraw/zinc/34/15/34/1069341534.db2.gz OWBJTFONLRUKGA-SFHVURJKSA-N 2 0 453.657 1.461 20 0 JDADRP CCC[NH+]1CCC(N(C)c2nnc([C@H]3CCC(=O)N3)n2CCCN2CC[NH+](CC)CC2)CC1 ZINC001500972405 1069342938 /nfs/dbraw/zinc/34/29/38/1069342938.db2.gz FSHLURCKEWMBOW-OAQYLSRUSA-N 2 0 460.671 1.567 20 0 JDADRP CCC[N@@H+]1CCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[NH+](C(C)(C)C)CC1 ZINC001501040435 1069367912 /nfs/dbraw/zinc/36/79/12/1069367912.db2.gz ITVUCUMWOZTDMU-ROUUACIJSA-N 2 0 455.673 1.683 20 0 JDADRP CCC[N@@H+]1CCC[C@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[NH+](CC(C)C)CC1 ZINC001501056344 1069371354 /nfs/dbraw/zinc/37/13/54/1069371354.db2.gz UXHLFRKOBGQKOP-LEWJYISDSA-N 2 0 497.710 1.263 20 0 JDADRP C[NH+](C)C[C@@H]1CN(C(=O)Nc2ccc(S(=O)(=O)C[C@H]3CCCO3)cc2)C[C@H]1C[NH+](C)C ZINC001476153104 1069615985 /nfs/dbraw/zinc/61/59/85/1069615985.db2.gz XRDGAPOZEQWVSN-QWFCFKBJSA-N 2 0 452.621 1.842 20 0 JDADRP C[NH+](C)CCn1ccc(NC(=O)NCC2([NH+]3CCN(c4ccccc4)CC3)CCOCC2)n1 ZINC001476156314 1069618365 /nfs/dbraw/zinc/61/83/65/1069618365.db2.gz NZUOCFRWCWSMCT-UHFFFAOYSA-N 2 0 455.607 1.938 20 0 JDADRP CC[NH+](CC)[C@H](C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC001501801795 1069729961 /nfs/dbraw/zinc/72/99/61/1069729961.db2.gz IRCSHRFHIJDTHQ-NJDAHSKKSA-N 2 0 497.710 1.406 20 0 JDADRP CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001501802365 1069730207 /nfs/dbraw/zinc/73/02/07/1069730207.db2.gz QNUOQBXSVZDTIQ-HKBOAZHASA-N 2 0 497.710 1.406 20 0 JDADRP CC[NH+](CC)[C@H](C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001501802366 1069731087 /nfs/dbraw/zinc/73/10/87/1069731087.db2.gz QNUOQBXSVZDTIQ-NJDAHSKKSA-N 2 0 497.710 1.406 20 0 JDADRP CC[NH+](CC)CC(=O)N1CCN(c2nnc(C(C)C)n2C[C@@]2([NH+](C)C)CCSC2)CC1 ZINC001501901743 1069768274 /nfs/dbraw/zinc/76/82/74/1069768274.db2.gz YEUKZDRPGPIBJK-QFIPXVFZSA-N 2 0 451.685 1.829 20 0 JDADRP CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cccc(C)n3)n2CCC[NH+]2CCC(O)CC2)CC1 ZINC001501903986 1069777890 /nfs/dbraw/zinc/77/78/90/1069777890.db2.gz PYAIULKHHRCZEO-UHFFFAOYSA-N 2 0 498.676 1.486 20 0 JDADRP CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cnn(C)c3)n2C[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001501904162 1069780057 /nfs/dbraw/zinc/78/00/57/1069780057.db2.gz XADISVRWANZPIN-QFIPXVFZSA-N 2 0 485.681 1.789 20 0 JDADRP CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3cnn(C)c3)n2C[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC001501904155 1069780158 /nfs/dbraw/zinc/78/01/58/1069780158.db2.gz WWPCHCSYOFGGSN-HSZRJFAPSA-N 2 0 493.660 1.972 20 0 JDADRP CC[NH+](CC)CC(=O)N1CCN(c2nnc(COc3cccc(C)c3)n2C[C@]2(O)CC[N@H+](C)C2)CC1 ZINC001501910313 1069800358 /nfs/dbraw/zinc/80/03/58/1069800358.db2.gz RQHHZCPVFXOJKW-SANMLTNESA-N 2 0 499.660 1.223 20 0 JDADRP CC[NH+](CC)CC(=O)N1CCN(c2nnc(COc3cccc(C)c3)n2C[C@@]2(O)CC[N@H+](C)C2)CC1 ZINC001501910312 1069800484 /nfs/dbraw/zinc/80/04/84/1069800484.db2.gz RQHHZCPVFXOJKW-AREMUKBSSA-N 2 0 499.660 1.223 20 0 JDADRP CC[NH+](CC)CCCn1c([C@@H]2CCC(=O)N2)nnc1N1C[C@H]([N@@H+]2CCCN(C(C)=O)CC2)[C@@H](C)C1 ZINC001501951716 1069806096 /nfs/dbraw/zinc/80/60/96/1069806096.db2.gz FNQGWIZZISUDJI-BVSLBCMMSA-N 2 0 488.681 1.340 20 0 JDADRP CC[NH+](CC)CCCn1c(-c2cnccn2)nnc1N1C[C@@H](C)[C@H]([N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC001501951571 1069806104 /nfs/dbraw/zinc/80/61/04/1069806104.db2.gz BGXAOSOPNZRGHR-NFBKMPQASA-N 2 0 483.665 1.846 20 0 JDADRP CC[NH+](CC)CCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC001501954555 1069806692 /nfs/dbraw/zinc/80/66/92/1069806692.db2.gz DNJQGXJPRGZWGK-PMACEKPBSA-N 2 0 483.683 1.017 20 0 JDADRP CC[NH+](CC)CCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC001501954557 1069806804 /nfs/dbraw/zinc/80/68/04/1069806804.db2.gz DNJQGXJPRGZWGK-VQTJNVASSA-N 2 0 483.683 1.017 20 0 JDADRP COc1ccc([C@H](CNC(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)N2CCOCC2)cc1OC ZINC001477244482 1069807510 /nfs/dbraw/zinc/80/75/10/1069807510.db2.gz WMRFNAMTHYEPMW-VSKRKVRLSA-N 2 0 477.650 1.458 20 0 JDADRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)NC2CC[NH+](CCC(=O)N(C)C)CC2)CC1 ZINC001477250709 1069807675 /nfs/dbraw/zinc/80/76/75/1069807675.db2.gz SEWAKWXDQNWMML-UHFFFAOYSA-N 2 0 458.651 1.566 20 0 JDADRP CC[NH+](CC)[C@H](C)Cn1c([C@@H]2CCCCO2)nnc1N1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001501980669 1069810487 /nfs/dbraw/zinc/81/04/87/1069810487.db2.gz HGMFWBCJNKVFSD-RTWAWAEBSA-N 2 0 461.655 1.994 20 0 JDADRP CC[NH+](CC)[C@H](C)Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001501980821 1069810614 /nfs/dbraw/zinc/81/06/14/1069810614.db2.gz MGLJJAHZKGAOBG-CIAFKFPVSA-N 2 0 474.698 1.954 20 0 JDADRP C[NH+]1CCN(c2ccc(CNC(=O)N[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3CO)cn2)CC1 ZINC001477413096 1069821150 /nfs/dbraw/zinc/82/11/50/1069821150.db2.gz JGQBCXLDMJLDRU-XZOQPEGZSA-N 2 0 452.603 1.516 20 0 JDADRP C[C@@H]1CCCN(S(=O)(=O)c2ccc(CNC(=O)N3C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C3)cc2)C1 ZINC001477530387 1069830290 /nfs/dbraw/zinc/83/02/90/1069830290.db2.gz HCKOFGVERRSXIY-CEMLEFRQSA-N 2 0 479.691 1.988 20 0 JDADRP CC[N@H+](CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]([NH+]2CCCCC2)C1)C(C)C ZINC001502185725 1069846977 /nfs/dbraw/zinc/84/69/77/1069846977.db2.gz NHZKDFFYXZEQEY-RTBURBONSA-N 2 0 455.673 1.683 20 0 JDADRP CC[N@H+](CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC[NH+](Cc2cnn(C)c2)CC1)C(C)C ZINC001502195797 1069851369 /nfs/dbraw/zinc/85/13/69/1069851369.db2.gz BWIRABLYGILMFY-HXUWFJFHSA-N 2 0 457.627 1.405 20 0 JDADRP CC[N@H+](CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1C[C@@H](C)[NH+](CC)C[C@@H]1C)C(C)C ZINC001502199229 1069854177 /nfs/dbraw/zinc/85/41/77/1069854177.db2.gz GYDZCYJWUYOSCK-AABGKKOBSA-N 2 0 485.699 1.260 20 0 JDADRP CC[N@@H+]1C[C@H](C)N(c2nnc(C(=O)Nc3ccccn3)n2CC2([NH+](C)C)CCOCC2)C[C@H]1C ZINC001502245001 1069917840 /nfs/dbraw/zinc/91/78/40/1069917840.db2.gz NRWJXLXRXFLPQT-MOPGFXCFSA-N 2 0 470.622 1.955 20 0 JDADRP CC[N@@H+]1C[C@H](C)N(c2nnc([C@H]3CCC(=O)N3)n2CC2CC[NH+](CCN(C)C)CC2)C[C@H]1C ZINC001502255981 1069945744 /nfs/dbraw/zinc/94/57/44/1069945744.db2.gz SFBUZYRNUQAGJT-SVFBPWRDSA-N 2 0 460.671 1.422 20 0 JDADRP CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C)[NH+](C)C2CC2)C[C@@H]1C ZINC001502258148 1069957777 /nfs/dbraw/zinc/95/77/77/1069957777.db2.gz UURMBLGEHNCWHW-JPLJXNOCSA-N 2 0 483.683 1.013 20 0 JDADRP CC[NH+]1CCC(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC001502266156 1069977511 /nfs/dbraw/zinc/97/75/11/1069977511.db2.gz HVYJKEUFXRSHED-CTNGQTDRSA-N 2 0 497.710 1.169 20 0 JDADRP CC[N@@H+]1CCC[C@H]1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[NH+](C2CCCC2)CC1 ZINC001502281528 1070013253 /nfs/dbraw/zinc/01/32/53/1070013253.db2.gz JMRPAYDTTHDLIL-HKUYNNGSSA-N 2 0 453.657 1.437 20 0 JDADRP C[NH+](C)C[C@@H]1CN(C(=O)NC[C@@H](Cc2cccc(F)c2)C(=O)N2CCOCC2)C[C@H]1C[NH+](C)C ZINC001478582846 1070022548 /nfs/dbraw/zinc/02/25/48/1070022548.db2.gz YLLSPCURKJRAGW-YPAWHYETSA-N 2 0 477.625 1.224 20 0 JDADRP CC[NH+]1CCN([C@@H](C)Cn2c(C(=O)N3CCCC3)nnc2N2CC[NH+](CC(C)C)CC2)CC1 ZINC001502310463 1070073187 /nfs/dbraw/zinc/07/31/87/1070073187.db2.gz ZZVLCBWVYCCCAH-NRFANRHFSA-N 2 0 460.671 1.318 20 0 JDADRP CC[NH+](CC)C[C@H]1CCN(c2nnc(-c3cnccn3)n2C[C@H](C)N2CC[NH+](CC)CC2)C1 ZINC001502312907 1070085662 /nfs/dbraw/zinc/08/56/62/1070085662.db2.gz UYBHKLVPIZJXSY-LEWJYISDSA-N 2 0 455.655 1.929 20 0 JDADRP CC[NH+](CC)CC(=O)N1CCN(c2nnc(-c3ccccc3)n2C[C@H](C)N2CC[NH+](CC)CC2)CC1 ZINC001502313082 1070087353 /nfs/dbraw/zinc/08/73/53/1070087353.db2.gz XRALWGMOSNQJJZ-QHCPKHFHSA-N 2 0 496.704 1.962 20 0 JDADRP CC[NH+]1CCN([C@@H](C)Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCC([NH2+]C(C)C)CC2)CC1 ZINC001502314403 1070093641 /nfs/dbraw/zinc/09/36/41/1070093641.db2.gz UWNXYBOMYSZJTI-PMACEKPBSA-N 2 0 481.711 1.173 20 0 JDADRP CC[NH+]1CCN([C@H](C)Cn2c(Cc3ccncc3)nnc2N2CC[N@H+](CCOC)[C@H](C)C2)CC1 ZINC001502315174 1070097762 /nfs/dbraw/zinc/09/77/62/1070097762.db2.gz IILRLHVDOLNGTB-FGZHOGPDSA-N 2 0 470.666 1.447 20 0 JDADRP CC[NH+]1CCN(c2ccc(Cn3c(C(=O)NC(C)C)nnc3N3CC[NH+](CC(C)C)CC3)cn2)CC1 ZINC001502317046 1070117755 /nfs/dbraw/zinc/11/77/55/1070117755.db2.gz XXYQQCLMJGAZDN-UHFFFAOYSA-N 2 0 497.692 1.780 20 0 JDADRP CC(C)(C)OC(=O)NC1CC[NH+](CCNC(=O)N2CCC(C)([NH+]3CCOCC3)CC2)CC1 ZINC001479293847 1070123450 /nfs/dbraw/zinc/12/34/50/1070123450.db2.gz MOXSAKUAKWUQAP-UHFFFAOYSA-N 2 0 453.628 1.872 20 0 JDADRP CC[N@@H+]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@]2(O)CC[NH+](C)C2)C[C@H]1C ZINC001502317869 1070123662 /nfs/dbraw/zinc/12/36/62/1070123662.db2.gz PNCSRYQXPSQKQB-HXOBKFHXSA-N 2 0 476.025 1.459 20 0 JDADRP CC[N@@H+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(C)(C)[NH+]2C[C@H](C)O[C@@H](C)C2)C[C@H]1C ZINC001502318248 1070128235 /nfs/dbraw/zinc/12/82/35/1070128235.db2.gz XLPPKEXKBUZOEZ-XWSJACJDSA-N 2 0 485.699 1.307 20 0 JDADRP CC[N@@H+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC(C)(C)[NH+]2C[C@@H](C)O[C@@H](C)C2)C[C@H]1C ZINC001502318249 1070128783 /nfs/dbraw/zinc/12/87/83/1070128783.db2.gz XLPPKEXKBUZOEZ-YRXWBPOGSA-N 2 0 485.699 1.307 20 0 JDADRP CC[N@@H+]1CCN(c2nnc(C(=O)Nc3ccccn3)n2C[C@@H]2C[NH+](CC(C)C)CCO2)C[C@H]1C ZINC001502318198 1070125408 /nfs/dbraw/zinc/12/54/08/1070125408.db2.gz WGNIKYQSZLGBBL-UXHICEINSA-N 2 0 470.622 1.813 20 0 JDADRP CC[N@@H+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCC[NH+]2CCC[C@H](C)C2)C[C@@H]1C ZINC001502319141 1070133016 /nfs/dbraw/zinc/13/30/16/1070133016.db2.gz LKKKGPAZBVDTRB-UFYCRDLUSA-N 2 0 469.700 1.931 20 0 JDADRP CC[N@@H+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCCC[NH+]2CCC[C@H](C)C2)C[C@H]1C ZINC001502319142 1070133210 /nfs/dbraw/zinc/13/32/10/1070133210.db2.gz LKKKGPAZBVDTRB-ZCNNSNEGSA-N 2 0 469.700 1.931 20 0 JDADRP CC[N@@H+]1CCN(c2nnc(-c3cccc(S(=O)(=O)N(C)C)c3)n2C[C@H](C)[NH+](C)C)C[C@H]1C ZINC001502320690 1070138022 /nfs/dbraw/zinc/13/80/22/1070138022.db2.gz MVVGDSZPPYKIDA-ZWKOTPCHSA-N 2 0 463.652 1.676 20 0 JDADRP CC[NH+]1CCN([C@@H]2CCN(c3nnc(C(=O)N4CCCC4)n3CCC[N@H+](C)C(C)C)C2)CC1 ZINC001502332013 1070167552 /nfs/dbraw/zinc/16/75/52/1070167552.db2.gz BGZBUCWNVHMGFU-OAQYLSRUSA-N 2 0 460.671 1.461 20 0 JDADRP CC[N@@H+]1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CCCC[NH+]2CCOCC2)C[C@@H]1C ZINC001502332086 1070170081 /nfs/dbraw/zinc/17/00/81/1070170081.db2.gz CUCYFWNRERHDKY-ACRUOGEOSA-N 2 0 450.628 1.645 20 0 JDADRP CC[NH+]1CCN([C@@H]2CCN(c3nnc([C@H]4CCC(=O)N4)n3C[C@@H](CC(C)C)[NH+](C)C)C2)CC1 ZINC001502334674 1070188427 /nfs/dbraw/zinc/18/84/27/1070188427.db2.gz NMLNTJWZDREIRN-NJDAHSKKSA-N 2 0 460.671 1.422 20 0 JDADRP CCN1CC[NH+](C[C@H](C)Cn2c([C@@H]3CCOC3)nnc2N2CC[N@H+](CCOC)[C@@H](C)C2)CC1 ZINC001502343769 1070243744 /nfs/dbraw/zinc/24/37/44/1070243744.db2.gz UGLNGOVHXDGJMX-FDFHNCONSA-N 2 0 463.671 1.213 20 0 JDADRP CCN1CC[NH+](C[C@@H](C)Cn2c([C@@H]3CCC(=O)N3)nnc2N2CC[NH+](CC(C)C)CC2)CC1 ZINC001502343955 1070248471 /nfs/dbraw/zinc/24/84/71/1070248471.db2.gz WZLKQUKGRZHDHY-RTWAWAEBSA-N 2 0 460.671 1.281 20 0 JDADRP C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[NH+]3CCCC[C@H]3C2)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001493268101 1070273298 /nfs/dbraw/zinc/27/32/98/1070273298.db2.gz YGCQDEONCLZANP-MHTWAQMVSA-N 2 0 481.711 1.931 20 0 JDADRP C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[NH+]3CCCC[C@@H]3C2)n1CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC001493268104 1070274160 /nfs/dbraw/zinc/27/41/60/1070274160.db2.gz YGCQDEONCLZANP-PLACYPQZSA-N 2 0 481.711 1.931 20 0 JDADRP CC[NH+]1CCN(CCCn2c(C(C)C)nnc2N2C[C@@H](C)[C@H]([N@@H+]3CCCN(C(C)=O)CC3)C2)CC1 ZINC001502352679 1070274356 /nfs/dbraw/zinc/27/43/56/1070274356.db2.gz KYWKKSUHVMYXSH-ISKFKSNPSA-N 2 0 488.725 1.808 20 0 JDADRP CC[NH+]1CCN(CCCn2c(C(=O)NC(C)C)nnc2N2CC[N@@H+](C3CCC3)C[C@H](C)C2)CC1 ZINC001502352990 1070278614 /nfs/dbraw/zinc/27/86/14/1070278614.db2.gz UPQBGNZNLOICCY-NRFANRHFSA-N 2 0 474.698 1.755 20 0 JDADRP C[C@H]1CCC[N@H+](CCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[NH+](C(C)(C)C)CC2)C1 ZINC001493804767 1070351550 /nfs/dbraw/zinc/35/15/50/1070351550.db2.gz IDFXYYNIKKAMBG-VQTJNVASSA-N 2 0 497.710 1.263 20 0 JDADRP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C[C@H]3CCOC3)CC2)n1CCC[NH+]1CCC(C)CC1 ZINC001494054039 1070381717 /nfs/dbraw/zinc/38/17/17/1070381717.db2.gz AZORFXYSXDJUBR-LEWJYISDSA-N 2 0 497.710 1.169 20 0 JDADRP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C[C@@H]3CCOC3)CC2)n1CCC[NH+]1CCC(C)CC1 ZINC001494054046 1070381797 /nfs/dbraw/zinc/38/17/97/1070381797.db2.gz AZORFXYSXDJUBR-SFTDATJTSA-N 2 0 497.710 1.169 20 0 JDADRP C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C[C@H]3CCOC3)CC2)n1CCC[NH+]1CCC(C)CC1 ZINC001494054041 1070381926 /nfs/dbraw/zinc/38/19/26/1070381926.db2.gz AZORFXYSXDJUBR-NHCUHLMSSA-N 2 0 497.710 1.169 20 0 JDADRP CC(C)NC(=O)c1nnc(N2CC[NH+](C3CCC3)C[C@H](C)C2)n1C[C@H]1CCC[N@@H+]1CCCO ZINC001494142241 1070438671 /nfs/dbraw/zinc/43/86/71/1070438671.db2.gz UJNVPXQCLUIVHQ-PZJWPPBQSA-N 2 0 461.655 1.574 20 0 JDADRP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+](C3CCC3)C[C@H](C)C2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001494189966 1070461850 /nfs/dbraw/zinc/46/18/50/1070461850.db2.gz GDOGLMMKOWQHPE-NPPFBWRTSA-N 2 0 499.751 1.636 20 0 JDADRP C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+](C3CCC3)C[C@H](C)C2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001494189965 1070462081 /nfs/dbraw/zinc/46/20/81/1070462081.db2.gz GDOGLMMKOWQHPE-NJNPRVFISA-N 2 0 499.751 1.636 20 0 JDADRP C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H]([NH+]3CCCC3)C2)n1CCC[N@@H+]1CCCO[C@H](C)C1 ZINC001494519258 1070611335 /nfs/dbraw/zinc/61/13/35/1070611335.db2.gz OATFKJAPASXLKJ-HKBOAZHASA-N 2 0 497.710 1.454 20 0 JDADRP C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+]3CCCC[C@H]3C2)n1CCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC001494519684 1070611550 /nfs/dbraw/zinc/61/15/50/1070611550.db2.gz PRQHEYNOOOSJIR-ZRNYENFQSA-N 2 0 483.683 1.062 20 0 JDADRP CCO[C@]1(c2nnc(N3C[C@H](C)[N@H+](CC)C[C@@H]3C)n2C[C@@H](C)N2CC[NH+](CC)CC2)CCOC1 ZINC001502664045 1070743049 /nfs/dbraw/zinc/74/30/49/1070743049.db2.gz GNEGYLGXGUGSPL-XOEOCAAJSA-N 2 0 477.698 1.875 20 0 JDADRP CCO[C@]1(c2nnc(N3C[C@H](C)[N@H+](CC)C[C@H]3C)n2C[C@H](C)N2CC[NH+](CC)CC2)CCOC1 ZINC001502664044 1070743538 /nfs/dbraw/zinc/74/35/38/1070743538.db2.gz GNEGYLGXGUGSPL-VRIJDZSUSA-N 2 0 477.698 1.875 20 0 JDADRP CC[C@H](C)c1nnc(N2CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001495675639 1070813378 /nfs/dbraw/zinc/81/33/78/1070813378.db2.gz CDHMSCDWYJSLQO-SFTDATJTSA-N 2 0 475.682 1.770 20 0 JDADRP CC[C@H](C)c1nnc(N2CCN(C(=O)C[NH+]3CCCC3)CC2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001495699799 1070816550 /nfs/dbraw/zinc/81/65/50/1070816550.db2.gz WVXQFFFSXUPVSI-NRFANRHFSA-N 2 0 474.698 1.562 20 0 JDADRP CC[C@H](C)[N@H+](C)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC001496117876 1070831347 /nfs/dbraw/zinc/83/13/47/1070831347.db2.gz VQFNSYRBDCGXBH-FHWLQOOXSA-N 2 0 455.673 1.683 20 0 JDADRP CC[C@H](C)[N@H+](C)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001496117881 1070831379 /nfs/dbraw/zinc/83/13/79/1070831379.db2.gz VQFNSYRBDCGXBH-IPMKNSEASA-N 2 0 455.673 1.683 20 0 JDADRP CCO[C@]1(c2nnc(N3CC[N@H+](CCOC)[C@@H](C)C3)n2CC2(SC)CC[NH+](C)CC2)CCOC1 ZINC001502725473 1070835275 /nfs/dbraw/zinc/83/52/75/1070835275.db2.gz JUWLOACFADTJIY-GBXCKJPGSA-N 2 0 496.722 1.915 20 0 JDADRP CCO[C@]1(c2nnc(N3CC[N@H+](CCOC)[C@H](C)C3)n2CC2(SC)CC[NH+](C)CC2)CCOC1 ZINC001502725476 1070835431 /nfs/dbraw/zinc/83/54/31/1070835431.db2.gz JUWLOACFADTJIY-HYBUGGRVSA-N 2 0 496.722 1.915 20 0 JDADRP CCOCc1nnc(N2CCC[C@H](C[NH+]3CCOCC3)C2)n1C[C@]1([NH+](C)C)CCSC1 ZINC001503099978 1071048364 /nfs/dbraw/zinc/04/83/64/1071048364.db2.gz WRQZGUSQKVZORS-DENIHFKCSA-N 2 0 452.669 1.801 20 0 JDADRP CCOCc1nnc(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)n1C[C@@H](C)C[NH+]1CCCCC1 ZINC001503099211 1071045482 /nfs/dbraw/zinc/04/54/82/1071045482.db2.gz QIDXUFQGWASAPN-LEWJYISDSA-N 2 0 461.655 1.679 20 0 JDADRP CCOCc1nnc(N2CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)n1CC(C)(C)[NH+]1CCCCC1 ZINC001503099910 1071048257 /nfs/dbraw/zinc/04/82/57/1071048257.db2.gz ZOGAFYACOPUGAV-HXUWFJFHSA-N 2 0 461.655 1.822 20 0 JDADRP COc1cccc([C@@H](Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[NH+](C(C)C)CC2)[NH+](C)C)c1 ZINC001504323173 1071057033 /nfs/dbraw/zinc/05/70/33/1071057033.db2.gz AMQXSZQLKJWHMZ-WIYYLYMNSA-N 2 0 493.678 1.730 20 0 JDADRP CCOCc1nnc(N2CC[NH+](C3CCOCC3)C[C@@H]2C)n1CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC001503109639 1071064057 /nfs/dbraw/zinc/06/40/57/1071064057.db2.gz NNHGHVZUFYVLNY-UNMCSNQZSA-N 2 0 491.681 1.447 20 0 JDADRP CCOCC[N@@H+]1CCN(c2nnc(C(=O)N3CCCC3)n2CC[NH+]2CC=CCC2)C[C@H]1CC ZINC001503216024 1071164885 /nfs/dbraw/zinc/16/48/85/1071164885.db2.gz KXJHHLSICBGFLA-OAQYLSRUSA-N 2 0 459.639 1.713 20 0 JDADRP COC1CC[NH+](C(C)(C)Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[N@@H+]3CCCC[C@@H]3C2)CC1 ZINC001504489489 1071263717 /nfs/dbraw/zinc/26/37/17/1071263717.db2.gz ICWBTYMNBMQBNV-RBUKOAKNSA-N 2 0 497.710 1.452 20 0 JDADRP C[NH+](C)[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1)C1CC1 ZINC001503383137 1071639228 /nfs/dbraw/zinc/63/92/28/1071639228.db2.gz QMSGGPDHIWEWHB-WOJBJXKFSA-N 2 0 497.710 1.262 20 0 JDADRP C[NH+](C)CC(C)(C)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCC(C[NH+]2CCOCC2)CC1 ZINC001503400515 1071661617 /nfs/dbraw/zinc/66/16/17/1071661617.db2.gz UVHMKMKGURHLTO-FQEVSTJZSA-N 2 0 482.695 1.317 20 0 JDADRP C[NH+](C)CCOCCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[N@@H+](C(C)(C)C)CC1 ZINC001503401596 1071664590 /nfs/dbraw/zinc/66/45/90/1071664590.db2.gz BXOHOUZMAIYUCW-UHFFFAOYSA-N 2 0 458.611 1.814 20 0 JDADRP COCCC[N@H+](C)CCn1c([C@@H]2CCCCO2)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001504820511 1071706331 /nfs/dbraw/zinc/70/63/31/1071706331.db2.gz OAKCWZHINUGERR-NRFANRHFSA-N 2 0 450.628 1.789 20 0 JDADRP COCC[N@H+](C)CCCn1c(-c2ccccc2)nnc1N1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001504852173 1071753445 /nfs/dbraw/zinc/75/34/45/1071753445.db2.gz SLMUFVOFZAFNON-QFIPXVFZSA-N 2 0 469.634 1.656 20 0 JDADRP COCC[N@H+](C)CCCn1c([C@H]2CCCO2)nnc1N1CC[NH+](C2CCOCC2)C[C@H]1C ZINC001504852442 1071754797 /nfs/dbraw/zinc/75/47/97/1071754797.db2.gz RKSUZDUXHBCRLJ-TZIWHRDSSA-N 2 0 450.628 1.787 20 0 JDADRP COCC[N@H+](C)CCCn1c([C@@H]2CCCOC2)nnc1N1CC[NH+](C2CCOCC2)C[C@@H]1C ZINC001504853051 1071756742 /nfs/dbraw/zinc/75/67/42/1071756742.db2.gz ZBOQNTGPWDSCBV-LEWJYISDSA-N 2 0 464.655 1.830 20 0 JDADRP COCC[N@H+](C)CCn1c(C(=O)Nc2ccccn2)nnc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC001504854893 1071765207 /nfs/dbraw/zinc/76/52/07/1071765207.db2.gz NQKDZMNSGQNALM-LJQANCHMSA-N 2 0 456.595 1.568 20 0 JDADRP COCC[N@H+](C)CCn1c(-c2cccc(C)n2)nnc1N1C[C@@H](C)[C@H]([NH+]2CCCN(C(C)=O)CC2)C1 ZINC001504857032 1071773944 /nfs/dbraw/zinc/77/39/44/1071773944.db2.gz IIAFARQXPMFCMU-HYBUGGRVSA-N 2 0 498.676 1.606 20 0 JDADRP COCC[N@H+](C)CCn1c([C@H]2CCCOC2)nnc1N1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC001504857547 1071777157 /nfs/dbraw/zinc/77/71/57/1071777157.db2.gz MRVNTVWWKNUKLR-QFIPXVFZSA-N 2 0 477.698 1.745 20 0 JDADRP COCC[N@@H+]1CCN(c2nnc(C(=O)NCc3ccc(Cl)cc3)n2C[C@H](C)[NH+](C)C)C[C@H]1C ZINC001504904727 1071844752 /nfs/dbraw/zinc/84/47/52/1071844752.db2.gz QAQDSVLTADWQGZ-ZWKOTPCHSA-N 2 0 478.041 1.969 20 0 JDADRP COCC[N@@H+]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@]2([NH+](C)C)CCSC2)C[C@@H]1C ZINC001504906495 1071850501 /nfs/dbraw/zinc/85/05/01/1071850501.db2.gz YWEHQNSTKCFRJQ-UWJYYQICSA-N 2 0 453.657 1.011 20 0 JDADRP COCC[N@@H+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[NH+]2CCCC(C)(C)C2)C[C@@H]1C ZINC001504909530 1071861583 /nfs/dbraw/zinc/86/15/83/1071861583.db2.gz ZUYYZFSSHRCQGP-RBUKOAKNSA-N 2 0 485.699 1.167 20 0 JDADRP COCC[N@@H+]1CCN(c2nnc(-c3cccc(C)n3)n2CCC[NH+]2CCC[C@H]2C(=O)N(C)C)C[C@H]1C ZINC001504917192 1071882636 /nfs/dbraw/zinc/88/26/36/1071882636.db2.gz OSTAONKUUSUHFL-GGAORHGYSA-N 2 0 498.676 1.748 20 0 JDADRP COCC[N@@H+]1CCN(c2nnc(-c3ccccn3)n2CCC[NH+]2C[C@@H](C)O[C@@H](C)C2)C[C@H]1C ZINC001504915878 1071878603 /nfs/dbraw/zinc/87/86/03/1071878603.db2.gz OWHCICMGIWXRGY-NJYVYQBISA-N 2 0 457.623 1.996 20 0 JDADRP COCC[N@@H+]1CCN(c2nnc(-c3nn(C)c(=O)c4ccccc43)n2C[C@@H](C)[NH+](C)C)C[C@@H]1C ZINC001504916594 1071880534 /nfs/dbraw/zinc/88/05/34/1071880534.db2.gz HPKCFFWXZMHSST-MSOLQXFVSA-N 2 0 468.606 1.299 20 0 JDADRP COCC[N@@H+]1CCN(c2nnc(-c3cnccn3)n2C[C@H]2C[NH+](CC(C)C)CCO2)C[C@H]1C ZINC001504916593 1071880579 /nfs/dbraw/zinc/88/05/79/1071880579.db2.gz HOZNPBJCSQJQSB-WOJBJXKFSA-N 2 0 458.611 1.249 20 0 JDADRP COCC[N@@H+]1CCN(c2nnc([C@@H]3CCOC3)n2CC2(O)CC[NH+](C(C)C)CC2)C[C@@H]1C ZINC001504921351 1071895508 /nfs/dbraw/zinc/89/55/08/1071895508.db2.gz WMAYPMCFFCMMIW-VQTJNVASSA-N 2 0 450.628 1.174 20 0 JDADRP COCC[N@@H+]1CCN(c2nnc([C@@H]3CCOC3)n2CC2(O)CC[NH+](C(C)C)CC2)C[C@H]1C ZINC001504921352 1071895581 /nfs/dbraw/zinc/89/55/81/1071895581.db2.gz WMAYPMCFFCMMIW-WOJBJXKFSA-N 2 0 450.628 1.174 20 0 JDADRP COCC[N@@H+]1CCN(c2nnc(Cc3ccccn3)n2CC2([NH+](C)C)CCOCC2)C[C@@H]1C ZINC001504922399 1071898091 /nfs/dbraw/zinc/89/80/91/1071898091.db2.gz JAGZVJOAXJGYBI-FQEVSTJZSA-N 2 0 457.623 1.532 20 0 JDADRP COCC[N@@H+]1CCN(c2nnc(CCOc3ccccc3)n2C[C@]2(O)CC[NH+](C)C2)C[C@@H]1C ZINC001504923807 1071903974 /nfs/dbraw/zinc/90/39/74/1071903974.db2.gz JYZAXGDGFBVRQY-RDPSFJRHSA-N 2 0 458.607 1.123 20 0 JDADRP COCC[N@@H+]1CCN(c2nnc(CN3CCCC3=O)n2CC(C)(C)[NH+]2CCCCC2)C[C@H]1C ZINC001504923204 1071901032 /nfs/dbraw/zinc/90/10/32/1071901032.db2.gz FGLCUGOGJHGHJU-HXUWFJFHSA-N 2 0 461.655 1.822 20 0 JDADRP COCC[N@@H+]1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H]2CCC[NH+](CC(C)C)C2)C[C@H]1C ZINC001504924443 1071907757 /nfs/dbraw/zinc/90/77/57/1071907757.db2.gz WNDCHEHAIQXFBL-FGZHOGPDSA-N 2 0 475.682 1.925 20 0 JDADRP COCCO[C@H](C)c1nnc(N2C[C@@H]3CCC[N@@H+]3C[C@H]2C)n1CCC[NH+]1CCC(O)CC1 ZINC001504949649 1071993521 /nfs/dbraw/zinc/99/35/21/1071993521.db2.gz IPBXKVLBDUTQIZ-AQNXPRMDSA-N 2 0 450.628 1.522 20 0 JDADRP COCCO[C@H](C)c1nnc(N2CC[NH+](C(C)C)CC2)n1CC1(O)CC[NH+](C(C)C)CC1 ZINC001504986796 1072038362 /nfs/dbraw/zinc/03/83/62/1072038362.db2.gz FYKUIIBYTCGGEJ-HXUWFJFHSA-N 2 0 452.644 1.768 20 0 JDADRP COCCO[C@H](C)c1nnc(N2CC[NH+](C(C)(C)C)CC2)n1CCN1CC[N@H+](C)C(C)(C)C1 ZINC001504990130 1072048568 /nfs/dbraw/zinc/04/85/68/1072048568.db2.gz UZXPVMKRIFBLRW-HXUWFJFHSA-N 2 0 465.687 1.949 20 0 JDADRP COCCO[C@@H](C)c1nnc(N2CC[N@@H+](C3CCOCC3)C[C@H]2C)n1CC[NH+]1CCSCC1 ZINC001504995684 1072065812 /nfs/dbraw/zinc/06/58/12/1072065812.db2.gz SFORLQKTXRUTHZ-UXHICEINSA-N 2 0 482.695 1.740 20 0 JDADRP CON(C)c1nnc(CC[NH+]2CCN(c3ccccc3)CC2)n1C[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC001505098052 1072233896 /nfs/dbraw/zinc/23/38/96/1072233896.db2.gz KKIZCHFEAXPNHM-QHCPKHFHSA-N 2 0 471.650 1.997 20 0 JDADRP CC[NH+]1CCN(Cc2ccccc2CNC(=O)N2CC[C@H]([NH+]3CCN(C)CC3)[C@@H](C)C2)CC1 ZINC001467604743 1068036196 /nfs/dbraw/zinc/03/61/96/1068036196.db2.gz ZIJFPESVEUUAKZ-DHLKQENFSA-N 2 0 456.679 1.992 20 0 JDADRP C[NH+]1CCN(c2ccc(CNC(=O)N[C@@H]3C[N@H+](Cc4ccccc4)CC[C@H]3CO)cn2)CC1 ZINC001467905692 1068091326 /nfs/dbraw/zinc/09/13/26/1068091326.db2.gz ASNAXBJRPGDADX-XZOQPEGZSA-N 2 0 452.603 1.516 20 0 JDADRP COC(=O)c1cccc2c1OCCN(C(=O)NCCC[NH+]1CCN(c3cc[nH+]cc3)CC1)C2 ZINC001468364092 1068258113 /nfs/dbraw/zinc/25/81/13/1068258113.db2.gz YLFDBEVUZGMMMZ-UHFFFAOYSA-N 2 0 453.543 1.985 20 0 JDADRP CC(C)C[C@H](NC(=O)c1ccc2[nH]c(=O)n(CC[NH+](C)C)c2c1)C(=O)N1CC[C@H]([NH+](C)C)C1 ZINC001468546511 1068310673 /nfs/dbraw/zinc/31/06/73/1068310673.db2.gz MTGQTTMEVKTMHL-ICSRJNTNSA-N 2 0 458.607 1.611 20 0 JDADRP CC(C)C[C@H](NC(=O)c1ccc2[nH]c(=O)n(CC[NH+](C)C)c2c1)C(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC001468546512 1068311326 /nfs/dbraw/zinc/31/13/26/1068311326.db2.gz MTGQTTMEVKTMHL-QUCCMNQESA-N 2 0 458.607 1.611 20 0 JDADRP C[C@H]1CN(C(=O)NCCCC[NH+]2CCN(c3ncccn3)CC2)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC001468657969 1068336950 /nfs/dbraw/zinc/33/69/50/1068336950.db2.gz QWASDHTZISQDPU-VXKWHMMOSA-N 2 0 458.655 1.046 20 0 JDADRP C[NH+](C)C[C@@H]1CN(C(=O)NCCN2CCN(C(=O)C3CCCCC3)CC2)C[C@H]1C[NH+](C)C ZINC001468835134 1068376332 /nfs/dbraw/zinc/37/63/32/1068376332.db2.gz XCXAXYSUYNESLP-FGZHOGPDSA-N 2 0 450.672 1.092 20 0 JDADRP C[NH+](C)C[C@@H]1CN(C(=O)NCc2ccc(N3CCCS3(=O)=O)c(F)c2)C[C@H]1C[NH+](C)C ZINC001469889537 1068616971 /nfs/dbraw/zinc/61/69/71/1068616971.db2.gz VEYNAVCNKUVTTO-QZTJIDSGSA-N 2 0 455.600 1.246 20 0 JDADRP C[NH+]1CCC(Oc2ccc(CNC(=O)N[C@@H]3CCC[N@H+](CCN4CCOCC4)C3)cc2)CC1 ZINC001470120801 1068703637 /nfs/dbraw/zinc/70/36/37/1068703637.db2.gz IEARFYWBSWLLJN-JOCHJYFZSA-N 2 0 459.635 1.755 20 0 JDADRP O=C(N[C@@H]1CCC[N@H+](CCN2CCOCC2)C1)N1CCC(CCC[NH+]2CCOCC2)CC1 ZINC001471183350 1068841396 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/nfs/dbraw/zinc/04/77/56/1069047756.db2.gz QSTWQHGDTDIZMM-CTNGQTDRSA-N 2 0 460.627 1.194 20 0 JDADRP CC[C@@H]1CN(c2nnc(Cc3ccncc3)n2CC2([NH+](C)C)CCOCC2)CC[N@@H+]1CCOC ZINC001499761507 1069077153 /nfs/dbraw/zinc/07/71/53/1069077153.db2.gz DQVPWGIJKMAMJG-JOCHJYFZSA-N 2 0 471.650 1.922 20 0 JDADRP CC[C@H]1CN(c2nnc(COc3ccccc3F)n2C[C@@]2(O)CC[NH+](C)C2)CC[N@@H+]1CCOC ZINC001499786838 1069086638 /nfs/dbraw/zinc/08/66/38/1069086638.db2.gz XLVKZOFBYMTQBI-YADARESESA-N 2 0 476.597 1.610 20 0 JDADRP CC[C@H]1CN(c2nnc(COc3ccccc3F)n2C[C@]2(O)CC[NH+](C)C2)CC[N@@H+]1CCOC ZINC001499786835 1069086676 /nfs/dbraw/zinc/08/66/76/1069086676.db2.gz XLVKZOFBYMTQBI-CYFREDJKSA-N 2 0 476.597 1.610 20 0 JDADRP C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[N@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC001473207507 1069094873 /nfs/dbraw/zinc/09/48/73/1069094873.db2.gz UGMIHAFRXPKIAJ-OAQYLSRUSA-N 2 0 457.667 1.642 20 0 JDADRP CC(C)[NH+]1CCN(CCC[N@@H+]2CCC[C@@H](N3CCN(C(=O)OC(C)(C)C)CC3=O)C2)CC1 ZINC001473400659 1069139442 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ZINC001509518430 1073662491 /nfs/dbraw/zinc/66/24/91/1073662491.db2.gz MEPOVAGEMMIOIB-FQEVSTJZSA-N 2 0 485.699 1.262 20 0 JDADRP CC(C)[N@H+](C)CCn1c(-c2ccc[nH]2)nnc1N1CCN(C[C@H]2C[NH+](C(C)C)CCO2)CC1 ZINC001509526490 1073667058 /nfs/dbraw/zinc/66/70/58/1073667058.db2.gz KTWZAKYROZXUDE-NRFANRHFSA-N 2 0 458.655 1.845 20 0 JDADRP CC(C)[N@H+](C)CCn1c(-c2ccc[nH]2)nnc1N1CCN(C[C@@H]2C[NH+](C(C)C)CCO2)CC1 ZINC001509526493 1073667292 /nfs/dbraw/zinc/66/72/92/1073667292.db2.gz KTWZAKYROZXUDE-OAQYLSRUSA-N 2 0 458.655 1.845 20 0 JDADRP CC(C)[NH+]1CCC(N2CCN(c3nnc(CC(C)(C)C)n3C[C@@]3(O)CC[N@H+](C)C3)CC2)CC1 ZINC001509547320 1073673649 /nfs/dbraw/zinc/67/36/49/1073673649.db2.gz IVCHMRQXDWVDDM-RUZDIDTESA-N 2 0 461.699 1.928 20 0 JDADRP CC(C)[NH+]1CCC(O)(Cn2c(N3CCN(C(=O)C[NH+]4CCCC4)CC3)nnc2C(C)(C)C)CC1 ZINC001509556225 1073680034 /nfs/dbraw/zinc/68/00/34/1073680034.db2.gz MFKMIYWLWYXIHK-UHFFFAOYSA-N 2 0 475.682 1.555 20 0 JDADRP CC(C)[NH+]1CCC(O)(Cn2c(CN3CCCC3=O)nnc2N2CC[NH+](C(C)(C)C)CC2)CC1 ZINC001509558809 1073681790 /nfs/dbraw/zinc/68/17/90/1073681790.db2.gz XFQBTAFOFBWSIP-UHFFFAOYSA-N 2 0 461.655 1.556 20 0 JDADRP CC(C)[N@@H+]1CCCN(c2nnc(C(=O)N3CCCC3)n2CCC[NH+]2CCC[C@H]2C(=O)N(C)C)CC1 ZINC001509566467 1073687446 /nfs/dbraw/zinc/68/74/46/1073687446.db2.gz VMARBWWODYFEAH-NRFANRHFSA-N 2 0 488.681 1.377 20 0 JDADRP CC(C)[NH+]1CCN(c2nnc(CNC(=O)c3cccs3)n2C[C@@H]2CCC[N@@H+]2CCCO)CC1 ZINC001509582814 1073707860 /nfs/dbraw/zinc/70/78/60/1073707860.db2.gz WEQTYFIPTCMAQC-IBGZPJMESA-N 2 0 475.663 1.647 20 0 JDADRP CC(C)(C)C(=O)Nc1ccnc(N2CCCO[C@@]3(C[NH2+]CCOC3)C2)c1C[N@@H+]1CC[C@H](CO)C1 ZINC001164425822 718915394 /nfs/dbraw/zinc/91/53/94/718915394.db2.gz VOWCNNJRSIWRTD-DFBJGRDBSA-N 2 0 475.634 1.466 20 0 JDADRP Cn1cnc2c1[C@@H](COCCN1CCOCC1)CN(c1cccc(N3CCC([NH3+])CC3)[nH+]1)C2 ZINC001164830665 720466842 /nfs/dbraw/zinc/46/68/42/720466842.db2.gz KQCLIEIRPMBIDI-LJQANCHMSA-N 2 0 455.607 1.195 20 0 JDADRP CC(C)[N@@H+]1[C@H](Cn2cccn2)C[C@@H]2CN(c3nc(S(C)(=O)=O)nc4c3CC[NH2+]CC4)CC[C@@H]21 ZINC001164839423 720507346 /nfs/dbraw/zinc/50/73/46/720507346.db2.gz UECDPTZAWXXVQQ-LQWHRVPQSA-N 2 0 473.647 1.143 20 0 JDADRP CC(C)[N@H+]1[C@@H]2CCN(c3nc(S(C)(=O)=O)nc4c3CC[NH2+]CC4)C[C@H]2C[C@H]1Cn1cccn1 ZINC001164839424 720507425 /nfs/dbraw/zinc/50/74/25/720507425.db2.gz UECDPTZAWXXVQQ-LVCYWYKZSA-N 2 0 473.647 1.143 20 0 JDADRP C[N@H+](Cc1ccccc1)[C@H]1COC2(C1)CCN(c1nc(S(C)(=O)=O)nc3c1CC[NH2+]CC3)CC2 ZINC001164844229 720659285 /nfs/dbraw/zinc/65/92/85/720659285.db2.gz YUNOOLHQNDKZMZ-HXUWFJFHSA-N 2 0 485.654 1.828 20 0 JDADRP O=C(c1cccnc1N1CC[C@@H]2[C@H](C[C@@H](Cn3cncn3)[N@@H+]2CC2CC2)C1)N1CC[NH2+]CC1 ZINC001164746657 720837505 /nfs/dbraw/zinc/83/75/05/720837505.db2.gz PVLFJCIDCVJPJC-RZUBCFFCSA-N 2 0 450.591 1.098 20 0 JDADRP c1ncn(C[C@@H]2C[C@H]3CN(c4ccc(OCC5CC[NH2+]CC5)nn4)CC[C@H]3[N@H+]2CC2CC2)n1 ZINC001164748778 720855043 /nfs/dbraw/zinc/85/50/43/720855043.db2.gz MCUNRAOAVIYFOH-FDFHNCONSA-N 2 0 452.607 1.826 20 0 JDADRP CN1CC[C@]2(CN(S(C)(=O)=O)CC23CCN(c2cc(OC4CC[NH+](C)CC4)cc[nH+]2)CC3)C1=O ZINC001164753794 720942875 /nfs/dbraw/zinc/94/28/75/720942875.db2.gz SZYACIZJYMHTFH-DEOSSOPVSA-N 2 0 491.658 1.265 20 0 JDADRP CNC(=O)[C@@]12CN(c3cc(OC4CC[NH+](C)CC4)cc[nH+]3)C[C@H]1N(c1ncccn1)CCC2 ZINC001164870162 721207334 /nfs/dbraw/zinc/20/73/34/721207334.db2.gz UBORODHCIKOAOG-YKSBVNFPSA-N 2 0 451.575 1.566 20 0 JDADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CCO[C@@H]4[C@@H](CNC(=O)c5ccnnc5)CC[C@H]43)c2)CC1 ZINC001164877098 721323793 /nfs/dbraw/zinc/32/37/93/721323793.db2.gz JDPHRTWBGQLFDZ-ODOSVJCGSA-N 2 0 452.559 1.758 20 0 JDADRP C[NH+]1CCC(Oc2cc[nH+]c(N3CCO[C@@H]4[C@H](CNC(=O)c5ccnnc5)CC[C@@H]43)c2)CC1 ZINC001164877097 721323910 /nfs/dbraw/zinc/32/39/10/721323910.db2.gz JDPHRTWBGQLFDZ-JWNTYJGQSA-N 2 0 452.559 1.758 20 0 JDADRP COCC[N@@H+]1CC2(C[C@H]1COCC1CC1)CCN(c1ncccc1C(=O)N1CC[NH2+]CC1)CC2 ZINC001164788665 721462974 /nfs/dbraw/zinc/46/29/74/721462974.db2.gz VLLILKHNJKVAGB-QFIPXVFZSA-N 2 0 471.646 1.861 20 0 JDADRP O=S1(=O)Cc2cn(-c3ccc(C[NH+]4CCCC4)cn3)c(=NCC3CC3)nc2[C@@H]2C[NH2+]C[C@@H]21 ZINC001164793647 721475277 /nfs/dbraw/zinc/47/52/77/721475277.db2.gz XFBOFLJJULPUCN-UXHICEINSA-N 2 0 454.600 1.158 20 0 JDADRP C[N@H+](Cc1ccc(-n2cc3c(nc2=NCC2CC2)[C@H]2C[NH2+]C[C@H]2S(=O)(=O)C3)nc1)C1CC1 ZINC001164793529 721475428 /nfs/dbraw/zinc/47/54/28/721475428.db2.gz WXZLBNXNIYVUHE-VQTJNVASSA-N 2 0 454.600 1.156 20 0 JDADRP O=S1(=O)Cc2cn(-c3cccc(OCC[NH+]4CCCC4)n3)c(=NCC3CC3)nc2[C@H]2C[NH2+]C[C@H]21 ZINC001164792408 721475445 /nfs/dbraw/zinc/47/54/45/721475445.db2.gz NNWJKMTZWADGCD-VQTJNVASSA-N 2 0 484.626 1.036 20 0 JDADRP C[NH+]1CCC(Oc2ccnc(-n3cc4c(nc3=NCC3CC3)[C@@H]3C[NH2+]C[C@@H]3S(=O)(=O)C4)c2)CC1 ZINC001164789753 721475978 /nfs/dbraw/zinc/47/59/78/721475978.db2.gz BYCMMTVABRLSLP-RTWAWAEBSA-N 2 0 484.626 1.035 20 0 JDADRP Cn1ccnc1C(=O)NCc1cnc2n1CCN(c1cc(OC3CC[NH+](C)CC3)cc[nH+]1)CC2 ZINC001165015549 721766010 /nfs/dbraw/zinc/76/60/10/721766010.db2.gz QXVVUZRTXKVVCB-UHFFFAOYSA-N 2 0 464.574 1.477 20 0 JDADRP C[N@H+](Cc1ccccn1)[C@@H]1CCC[C@@H]2CN(c3nc(S(C)(=O)=O)nc4c3CC[NH2+]CC4)C[C@H]21 ZINC001165017799 721799877 /nfs/dbraw/zinc/79/98/77/721799877.db2.gz ASBJJPQSURVDTH-NQSCKRDGSA-N 2 0 470.643 1.700 20 0 JDADRP Cn1cc(C(=O)NC[C@H]2OC[C@@H]3CN(c4cc(OC5CC[NH+](C)CC5)cc[nH+]4)CC[C@H]32)cn1 ZINC001164962631 722032006 /nfs/dbraw/zinc/03/20/06/722032006.db2.gz YGZKHEMYXDLSFJ-VLCRHTCISA-N 2 0 454.575 1.559 20 0 JDADRP O=C(c1cccnc1N1CCC2(CC1)COCC[N@H+](Cc1ccncc1)C2)N1CC[NH2+]CC1 ZINC001164959985 722057589 /nfs/dbraw/zinc/05/75/89/722057589.db2.gz BNYDVYXNJPGYOW-UHFFFAOYSA-N 2 0 450.587 1.641 20 0 JDADRP