smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cn1cnc2c1c(=O)n(CC(=O)OCC(=O)Nc1ccc(C[NH+]3CCOCC3)cc1)c(=O)n2C ZINC000010192266 1068979842 /nfs/dbraw/zinc/97/98/42/1068979842.db2.gz RJNSHIRNRSDFCC-UHFFFAOYSA-N 1 2 470.486 -0.552 20 0 JBADLO Cn1c2ncn(CCC(=O)OCC(=O)Nc3ccc(C[NH+]4CCOCC4)cc3)c2c(=O)n(C)c1=O ZINC000010425398 1068980809 /nfs/dbraw/zinc/98/08/09/1068980809.db2.gz KCICVAIFMBMMSL-UHFFFAOYSA-N 1 2 484.513 -0.162 20 0 JBADLO Cn1ncc2c1ncn(CC(=O)OCC(=O)NCc1ccccc1C[NH+]1CCOCC1)c2=O ZINC000011482939 1068987895 /nfs/dbraw/zinc/98/78/95/1068987895.db2.gz JSLNYRPYUHZMKG-UHFFFAOYSA-N 1 2 454.487 -0.178 20 0 JBADLO Cn1cnc2c1c(=O)n(CC(=O)NC1CC[NH+](CC(=O)Nc3ccccc3)CC1)c(=O)n2C ZINC000011525808 1068360860 /nfs/dbraw/zinc/36/08/60/1068360860.db2.gz YHIKMJJXWZSZPJ-UHFFFAOYSA-N 1 2 453.503 -0.347 20 0 JBADLO CCN(CC)S(=O)(=O)N1CC[NH+](CCC(=O)NN2C(=O)NC3(CCCCC3)C2=O)CC1 ZINC000011673638 1068990134 /nfs/dbraw/zinc/99/01/34/1068990134.db2.gz KDXBDPVKEWKJMX-UHFFFAOYSA-N 1 2 458.585 -0.133 20 0 JBADLO O=C(CN1C(=O)c2ccccc2C1=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000013726158 1067659222 /nfs/dbraw/zinc/65/92/22/1067659222.db2.gz GJISOFXIKDIHSW-UHFFFAOYSA-N 1 2 457.512 -0.054 20 0 JBADLO CCN(CC(=O)NCc1ccccc1C[NH+]1CCOCC1)CC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC000015299305 1068362186 /nfs/dbraw/zinc/36/21/86/1068362186.db2.gz IKCMXHGVDCKTMQ-HXUWFJFHSA-N 1 2 466.604 -0.240 20 0 JBADLO CCN(CC(=O)NCc1ccccc1C[NH+]1CCOCC1)CC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC000015299306 1068362342 /nfs/dbraw/zinc/36/23/42/1068362342.db2.gz IKCMXHGVDCKTMQ-FQEVSTJZSA-N 1 2 466.604 -0.240 20 0 JBADLO Cn1c2ncn(CC(=O)OCC(=O)Nc3ccc(C[NH+]4CCOCC4)cc3)c2c(=O)n(C)c1=O ZINC000016214322 1067671441 /nfs/dbraw/zinc/67/14/41/1067671441.db2.gz KVDGZACYFPMALV-UHFFFAOYSA-N 1 2 470.486 -0.552 20 0 JBADLO O=C(CN1CCN(C(=O)C(=O)N2CCOCC2)CC1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000016439651 1068434457 /nfs/dbraw/zinc/43/44/57/1068434457.db2.gz NGKVXTGMXRRQII-UHFFFAOYSA-N 1 2 473.574 -0.862 20 0 JBADLO O=C(CN1CCN(C(=O)CN2CCOCC2)CC1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000022550296 1068367971 /nfs/dbraw/zinc/36/79/71/1068367971.db2.gz ULHQPGPIYDUCMH-UHFFFAOYSA-N 1 2 459.591 -0.389 20 0 JBADLO COC(=O)c1ccc(OC[C@@H](O)C[NH+]2CCN(C(=O)CN3CCOCC3)CC2)c(OC)c1 ZINC000022550478 1067665247 /nfs/dbraw/zinc/66/52/47/1067665247.db2.gz KYCZQAHITSKEDR-SFHVURJKSA-N 1 2 451.520 -0.302 20 0 JBADLO COC(=O)c1ccc(OC[C@H](O)C[NH+]2CCN(C(=O)CN3CCOCC3)CC2)c(OC)c1 ZINC000022550480 1067665370 /nfs/dbraw/zinc/66/53/70/1067665370.db2.gz KYCZQAHITSKEDR-GOSISDBHSA-N 1 2 451.520 -0.302 20 0 JBADLO O=C(CN1CCOCC1)N1CC[NH+](CCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 ZINC000022550487 1067742149 /nfs/dbraw/zinc/74/21/49/1067742149.db2.gz KWUDOPCQVAYELH-UHFFFAOYSA-N 1 2 482.603 -0.437 20 0 JBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)Cn2c(Cl)nc3c2c(=O)n(C)c(=O)n3C)CC1 ZINC000022657033 1069014762 /nfs/dbraw/zinc/01/47/62/1069014762.db2.gz JTEOAANOWDUJDZ-UHFFFAOYSA-N 1 2 472.897 -0.887 20 0 JBADLO C[NH+]1CCN(CCCNC(c2cc3ccccc3c(=O)[nH]2)=C2C(=O)NC(=S)NC2=O)CC1 ZINC000022829196 1069683690 /nfs/dbraw/zinc/68/36/90/1069683690.db2.gz MPFYMGQRLHBWAE-UHFFFAOYSA-N 1 2 454.556 -0.003 20 0 JBADLO CN1CC[NH+](CCCNC(c2cc3ccccc3c(=O)[nH]2)=C2C(=O)NC(=S)NC2=O)CC1 ZINC000022829196 1069683678 /nfs/dbraw/zinc/68/36/78/1069683678.db2.gz MPFYMGQRLHBWAE-UHFFFAOYSA-N 1 2 454.556 -0.003 20 0 JBADLO CC(C)(CNC(=O)CN1CCN(CC(=O)NCC(C)(C)[NH+]2CCOCC2)CC1)N1CCOCC1 ZINC000022942956 1067643270 /nfs/dbraw/zinc/64/32/70/1067643270.db2.gz BQLDRTSSNOCFTK-UHFFFAOYSA-N 1 2 482.670 -0.942 20 0 JBADLO O=C(CN1CCN(CC(=O)N2CCOCC2)CC1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000023289264 1068368466 /nfs/dbraw/zinc/36/84/66/1068368466.db2.gz FMFVTPIUQZPMPU-UHFFFAOYSA-N 1 2 459.591 -0.389 20 0 JBADLO O=C(CN1CCN([C@@H]2CCS(=O)(=O)C2)CC1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000023290415 1068531038 /nfs/dbraw/zinc/53/10/38/1068531038.db2.gz WXXKZMOJFPEHRD-OAQYLSRUSA-N 1 2 450.605 -0.060 20 0 JBADLO O=C(CN1CCN([C@H]2CCS(=O)(=O)C2)CC1)NCc1ccccc1C[NH+]1CCOCC1 ZINC000023290417 1068530945 /nfs/dbraw/zinc/53/09/45/1068530945.db2.gz WXXKZMOJFPEHRD-NRFANRHFSA-N 1 2 450.605 -0.060 20 0 JBADLO Cn1c2ncn(CC(=O)NC3CC[NH+](CC(=O)Nc4ccccc4)CC3)c2c(=O)n(C)c1=O ZINC000023313784 1067689224 /nfs/dbraw/zinc/68/92/24/1067689224.db2.gz AAWQSEBUVVFEBN-UHFFFAOYSA-N 1 2 453.503 -0.347 20 0 JBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)c[nH]2)CC1 ZINC000023463040 1067689394 /nfs/dbraw/zinc/68/93/94/1067689394.db2.gz OZJBIOZLIBSZGC-UHFFFAOYSA-N 1 2 460.520 -0.325 20 0 JBADLO Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000023463452 1068532472 /nfs/dbraw/zinc/53/24/72/1068532472.db2.gz BSYKOCTWYCHTNR-UHFFFAOYSA-N 1 2 467.534 -0.127 20 0 JBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)Cn2cc(S(=O)(=O)N3CCCC3)ccc2=O)CC1 ZINC000024125935 1068369688 /nfs/dbraw/zinc/36/96/88/1068369688.db2.gz BYGXUNAUEJUPAT-UHFFFAOYSA-N 1 2 486.558 -0.342 20 0 JBADLO CN(C)S(=O)(=O)c1ccc(=O)n(CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)c1 ZINC000024156652 1068369939 /nfs/dbraw/zinc/36/99/39/1068369939.db2.gz RJROIAQIBIERQC-UHFFFAOYSA-N 1 2 460.520 -0.876 20 0 JBADLO CC(=O)NCc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC000024684269 1068371241 /nfs/dbraw/zinc/37/12/41/1068371241.db2.gz BITDFTSUKVOFIY-UHFFFAOYSA-N 1 2 459.594 -0.879 20 0 JBADLO CCOC(=O)c1ccc(S(=O)(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC000024684300 1068371299 /nfs/dbraw/zinc/37/12/99/1068371299.db2.gz JKESABWKQKVSIB-UHFFFAOYSA-N 1 2 460.578 -0.338 20 0 JBADLO COC(=O)c1ccc(C)c(S(=O)(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000024684455 1068371137 /nfs/dbraw/zinc/37/11/37/1068371137.db2.gz SPVYSRNNQMXIFU-UHFFFAOYSA-N 1 2 460.578 -0.420 20 0 JBADLO COC(=O)c1sccc1S(=O)(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000024684526 1068371001 /nfs/dbraw/zinc/37/10/01/1068371001.db2.gz ZUJOQURGYPWTHV-UHFFFAOYSA-N 1 2 452.580 -0.667 20 0 JBADLO CC(=O)N1CCc2cc(S(=O)(=O)N3CCN(S(=O)(=O)N4CC[NH+](C)CC4)CC3)ccc21 ZINC000024684535 1068370936 /nfs/dbraw/zinc/37/09/36/1068370936.db2.gz NZKFCGWJPFCMCJ-UHFFFAOYSA-N 1 2 471.605 -0.606 20 0 JBADLO COc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cc1NC(C)=O ZINC000024684567 1067700411 /nfs/dbraw/zinc/70/04/11/1067700411.db2.gz JRNKIKZUUILLGF-UHFFFAOYSA-N 1 2 475.593 -0.548 20 0 JBADLO CC(=O)Nc1ccc(C)c(S(=O)(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000024684582 1067701010 /nfs/dbraw/zinc/70/10/10/1067701010.db2.gz UFNNIAICTXBZGK-UHFFFAOYSA-N 1 2 459.594 -0.248 20 0 JBADLO Cc1ccc(C)c(S(=O)(=O)NCCC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000024695942 1068373587 /nfs/dbraw/zinc/37/35/87/1068373587.db2.gz ISFHJNMMDBTYCB-UHFFFAOYSA-N 1 2 487.648 -0.392 20 0 JBADLO CC(=O)Nc1cc(NC(C)=O)cc(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000024696020 1068373847 /nfs/dbraw/zinc/37/38/47/1068373847.db2.gz RMDIHFGWUWMUST-UHFFFAOYSA-N 1 2 466.564 -0.147 20 0 JBADLO Cc1ccc(S(=O)(=O)NCCC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cc1C ZINC000024696161 1068373761 /nfs/dbraw/zinc/37/37/61/1068373761.db2.gz OVGRNRZEGVYVOD-UHFFFAOYSA-N 1 2 487.648 -0.392 20 0 JBADLO Cc1ccc(S(=O)(=O)N(C)CC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cc1C ZINC000024696350 1068373819 /nfs/dbraw/zinc/37/38/19/1068373819.db2.gz KBWPZBMLGHANFU-UHFFFAOYSA-N 1 2 487.648 -0.440 20 0 JBADLO COc1cc(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cc(Cl)c1OCC(N)=O ZINC000024696474 1068373923 /nfs/dbraw/zinc/37/39/23/1068373923.db2.gz NVIQJLCKJVHBAH-UHFFFAOYSA-N 1 2 489.982 -0.537 20 0 JBADLO CNS(=O)(=O)c1ccc(C)c(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000024696525 1068373855 /nfs/dbraw/zinc/37/38/55/1068373855.db2.gz VQKHJAMEYHHSMR-UHFFFAOYSA-N 1 2 459.594 -0.847 20 0 JBADLO C[C@@H]1Oc2ccccc2N(CC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1=O ZINC000024696554 1068373646 /nfs/dbraw/zinc/37/36/46/1068373646.db2.gz OZYCTMPSVQFVLH-INIZCTEOSA-N 1 2 451.549 -0.563 20 0 JBADLO C[C@H]1Oc2ccccc2N(CC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1=O ZINC000024696559 1068373704 /nfs/dbraw/zinc/37/37/04/1068373704.db2.gz OZYCTMPSVQFVLH-MRXNPFEDSA-N 1 2 451.549 -0.563 20 0 JBADLO Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC000024696990 1067948833 /nfs/dbraw/zinc/94/88/33/1067948833.db2.gz SSLDTIZMHWBKNU-FQEVSTJZSA-N 1 2 499.659 -0.215 20 0 JBADLO CCN(CC)S(=O)(=O)c1cccc(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000024696995 1067948862 /nfs/dbraw/zinc/94/88/62/1067948862.db2.gz XPYNTFHCVOHXFY-UHFFFAOYSA-N 1 2 487.648 -0.033 20 0 JBADLO CCN(CC)S(=O)(=O)c1ccc(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC000024697047 1068373728 /nfs/dbraw/zinc/37/37/28/1068373728.db2.gz ZTVCBFIXXXGAPJ-UHFFFAOYSA-N 1 2 487.648 -0.033 20 0 JBADLO Cc1cc(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cc(S(=O)(=O)N(C)C)c1C ZINC000024697474 1068373888 /nfs/dbraw/zinc/37/38/88/1068373888.db2.gz NUXUPZLFDUEUBI-UHFFFAOYSA-N 1 2 487.648 -0.196 20 0 JBADLO CNS(=O)(=O)c1ccc(CCC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC000024697483 1068373995 /nfs/dbraw/zinc/37/39/95/1068373995.db2.gz MGJUVRLGRHZIKS-UHFFFAOYSA-N 1 2 473.621 -0.836 20 0 JBADLO C[C@@H]1Cc2cc(C(=O)N3CCN(S(=O)(=O)N4CC[NH+](C)CC4)CC3)ccc2N1S(C)(=O)=O ZINC000024697655 1068371692 /nfs/dbraw/zinc/37/16/92/1068371692.db2.gz JRQHOMXXVLLIQB-MRXNPFEDSA-N 1 2 485.632 -0.353 20 0 JBADLO C[C@H]1Cc2cc(C(=O)N3CCN(S(=O)(=O)N4CC[NH+](C)CC4)CC3)ccc2N1S(C)(=O)=O ZINC000024697661 1068372101 /nfs/dbraw/zinc/37/21/01/1068372101.db2.gz JRQHOMXXVLLIQB-INIZCTEOSA-N 1 2 485.632 -0.353 20 0 JBADLO CC(=O)N1C[C@@H](C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)Oc2ccccc21 ZINC000024697795 1067710529 /nfs/dbraw/zinc/71/05/29/1067710529.db2.gz GKVOJHIQHPFNBP-IBGZPJMESA-N 1 2 451.549 -0.563 20 0 JBADLO CC(=O)N1C[C@H](C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)Oc2ccccc21 ZINC000024697798 1067710540 /nfs/dbraw/zinc/71/05/40/1067710540.db2.gz GKVOJHIQHPFNBP-LJQANCHMSA-N 1 2 451.549 -0.563 20 0 JBADLO COc1cc(C(=O)NCC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cc(OC)c1OC ZINC000024697839 1067949317 /nfs/dbraw/zinc/94/93/17/1067949317.db2.gz BBENBLGRUCIYDB-UHFFFAOYSA-N 1 2 499.590 -0.921 20 0 JBADLO CCOc1ccc(C(=O)NCC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cc1OCC ZINC000024697859 1068371653 /nfs/dbraw/zinc/37/16/53/1068371653.db2.gz PFYYBLHQENSWST-UHFFFAOYSA-N 1 2 497.618 -0.150 20 0 JBADLO CCOc1ccccc1C(=O)NCC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000024697873 1068371870 /nfs/dbraw/zinc/37/18/70/1068371870.db2.gz APVABUXWHGDIKQ-UHFFFAOYSA-N 1 2 453.565 -0.549 20 0 JBADLO COc1ccc(C(=O)NCC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cc1OC ZINC000024697900 1068372070 /nfs/dbraw/zinc/37/20/70/1068372070.db2.gz AXJZZGNKWGIRHE-UHFFFAOYSA-N 1 2 469.564 -0.930 20 0 JBADLO Cc1cc(=O)c(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)nn1-c1ccccc1F ZINC000024698158 1068371729 /nfs/dbraw/zinc/37/17/29/1068371729.db2.gz HVJGLAWOHWHNNM-UHFFFAOYSA-N 1 2 478.550 -0.070 20 0 JBADLO 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CS(=O)(=O)N1CCC(NC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000503237912 1067769724 /nfs/dbraw/zinc/76/97/24/1067769724.db2.gz HPUJUEOARYGUME-UHFFFAOYSA-N 1 2 474.609 -0.743 20 0 JBADLO NS(=O)(=O)c1ccc(CCNC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000503238260 1067770544 /nfs/dbraw/zinc/77/05/44/1067770544.db2.gz BCDNVHHWIAXOSK-UHFFFAOYSA-N 1 2 496.615 -0.277 20 0 JBADLO COCC(=O)N1CCN(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000503238316 1067770367 /nfs/dbraw/zinc/77/03/67/1067770367.db2.gz DAFZAJKPRVFCGZ-UHFFFAOYSA-N 1 2 454.553 -0.966 20 0 JBADLO NS(=O)(=O)c1cccc(CNC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)c1 ZINC000503238825 1067770594 /nfs/dbraw/zinc/77/05/94/1067770594.db2.gz BZUQQFBPOOSZOR-UHFFFAOYSA-N 1 2 482.588 -0.320 20 0 JBADLO CC(C)(CNC(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1)[NH+]1CCOCC1 ZINC000503241576 1067770407 /nfs/dbraw/zinc/77/04/07/1067770407.db2.gz NDXGHLBUNZEQFK-UHFFFAOYSA-N 1 2 454.597 -0.057 20 0 JBADLO O=C(NC1CC1)[C@@H]1CCCN1C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000503242129 1067770567 /nfs/dbraw/zinc/77/05/67/1067770567.db2.gz LMEWKXKWVVTLHJ-KRWDZBQOSA-N 1 2 450.565 -0.014 20 0 JBADLO O=C(NC1CC1)[C@H]1CCCN1C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000503242130 1067770526 /nfs/dbraw/zinc/77/05/26/1067770526.db2.gz LMEWKXKWVVTLHJ-QGZVFWFLSA-N 1 2 450.565 -0.014 20 0 JBADLO O=C(CN1CCN(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CC1)N1CCCC1 ZINC000503242250 1067770490 /nfs/dbraw/zinc/77/04/90/1067770490.db2.gz OHGJWHQCBDPRSC-UHFFFAOYSA-N 1 2 493.634 -0.517 20 0 JBADLO NS(=O)(=O)c1ccc(CNC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)s1 ZINC000503242870 1067770380 /nfs/dbraw/zinc/77/03/80/1067770380.db2.gz MZTJMPLPVSJIKH-UHFFFAOYSA-N 1 2 488.617 -0.258 20 0 JBADLO CC(C)NC(=O)CN1CCN(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000503244089 1067770309 /nfs/dbraw/zinc/77/03/09/1067770309.db2.gz UACXTPKEGJWFSU-UHFFFAOYSA-N 1 2 481.623 -0.615 20 0 JBADLO O=C(NCCCO)C1CCN(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000503244842 1067770284 /nfs/dbraw/zinc/77/02/84/1067770284.db2.gz VQZRRVFDTUSXIL-UHFFFAOYSA-N 1 2 482.607 -0.546 20 0 JBADLO CC[C@H](C)NC(=O)CN1CCN(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000503245898 1067770439 /nfs/dbraw/zinc/77/04/39/1067770439.db2.gz XOVGXVKSQRSIKP-IBGZPJMESA-N 1 2 495.650 -0.225 20 0 JBADLO CC[C@@H](C)NC(=O)CN1CCN(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000503245904 1068073262 /nfs/dbraw/zinc/07/32/62/1068073262.db2.gz XOVGXVKSQRSIKP-LJQANCHMSA-N 1 2 495.650 -0.225 20 0 JBADLO O=C(NCCNC(=O)c1ccco1)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000503247531 1067770463 /nfs/dbraw/zinc/77/04/63/1067770463.db2.gz WZNBPJVIMNGPMF-UHFFFAOYSA-N 1 2 450.521 -0.144 20 0 JBADLO O=C(CN1CCN(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CC1)NC1CC1 ZINC000503248421 1067770237 /nfs/dbraw/zinc/77/02/37/1067770237.db2.gz ZTUHOEUJTMJXSZ-UHFFFAOYSA-N 1 2 479.607 -0.861 20 0 JBADLO COCCOc1cc(C)ccc1NC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000503266778 1067771021 /nfs/dbraw/zinc/77/10/21/1067771021.db2.gz RIEDGRFYIPRMJV-UHFFFAOYSA-N 1 2 483.591 -0.405 20 0 JBADLO CCOc1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c(C)c1 ZINC000503267317 1067770880 /nfs/dbraw/zinc/77/08/80/1067770880.db2.gz SMMGVGALJKSAMF-UHFFFAOYSA-N 1 2 453.565 -0.031 20 0 JBADLO CCNC(=O)c1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c(C)c1 ZINC000503281409 1068421858 /nfs/dbraw/zinc/42/18/58/1068421858.db2.gz DTYPYUHEWKFHTR-UHFFFAOYSA-N 1 2 480.591 -0.680 20 0 JBADLO O=C([C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCN(S(=O)(=O)N2CCCCCC2)CC1 ZINC000503282465 1067770851 /nfs/dbraw/zinc/77/08/51/1067770851.db2.gz AUELXXNKMLILLB-IBGZPJMESA-N 1 2 471.624 -0.568 20 0 JBADLO O=C([C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCN(S(=O)(=O)N2CCCCCC2)CC1 ZINC000503282466 1067770975 /nfs/dbraw/zinc/77/09/75/1067770975.db2.gz AUELXXNKMLILLB-LJQANCHMSA-N 1 2 471.624 -0.568 20 0 JBADLO COC(=O)c1cc(CNC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)ccc1OC ZINC000503564521 1067772268 /nfs/dbraw/zinc/77/22/68/1067772268.db2.gz AVSMEHVDZOORPJ-UHFFFAOYSA-N 1 2 469.564 -0.199 20 0 JBADLO COC(=O)c1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cc1C ZINC000503699783 1067773717 /nfs/dbraw/zinc/77/37/17/1067773717.db2.gz KOXSTJZNUPODTM-UHFFFAOYSA-N 1 2 467.548 -0.643 20 0 JBADLO C[C@H](NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)c1cccc(S(N)(=O)=O)c1 ZINC000503926810 1067774970 /nfs/dbraw/zinc/77/49/70/1067774970.db2.gz ONHQTKPOUZFRJC-HNNXBMFYSA-N 1 2 474.609 -0.786 20 0 JBADLO C[C@@H](NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)c1cccc(S(N)(=O)=O)c1 ZINC000503926817 1067774953 /nfs/dbraw/zinc/77/49/53/1067774953.db2.gz ONHQTKPOUZFRJC-OAHLLOKOSA-N 1 2 474.609 -0.786 20 0 JBADLO O=C(NCc1ccccc1C[NH+]1CCOCC1)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000504215665 1067776404 /nfs/dbraw/zinc/77/64/04/1067776404.db2.gz KMJKMHICZDCXFT-UHFFFAOYSA-N 1 2 459.547 -0.269 20 0 JBADLO O=C(NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)NCCS(=O)(=O)N1CCSCC1 ZINC000504284589 1067776307 /nfs/dbraw/zinc/77/63/07/1067776307.db2.gz RLOPIYDKSJOCQU-UHFFFAOYSA-N 1 2 470.621 -0.202 20 0 JBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)NCCS(=O)(=O)N2CCSCC2)CC1 ZINC000504350564 1067776426 /nfs/dbraw/zinc/77/64/26/1067776426.db2.gz FDDYHTGRMDNHCT-UHFFFAOYSA-N 1 2 454.582 -0.427 20 0 JBADLO CN1CCN(S(=O)(=O)N2CCN(C(=O)NC3CCN(c4cccc[nH+]4)CC3)CC2)CC1 ZINC000504351157 1067776345 /nfs/dbraw/zinc/77/63/45/1067776345.db2.gz IRJAODQIZAQVMC-UHFFFAOYSA-N 1 2 451.597 -0.130 20 0 JBADLO CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)c1 ZINC000504513050 1067776574 /nfs/dbraw/zinc/77/65/74/1067776574.db2.gz LXQCPGCGQJJWBJ-UHFFFAOYSA-N 1 2 488.574 -0.096 20 0 JBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)Cn2c(C(F)(F)F)ccc(C(N)=O)c2=O)CC1 ZINC000504519193 1067777224 /nfs/dbraw/zinc/77/72/24/1067777224.db2.gz RQRNPBZTJKKWGS-UHFFFAOYSA-N 1 2 464.408 -0.009 20 0 JBADLO C[C@H](NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)c1ccc2c(c1)NC(=O)CO2 ZINC000504520342 1067777192 /nfs/dbraw/zinc/77/71/92/1067777192.db2.gz UHWPLPNTCVCDFA-HNNXBMFYSA-N 1 2 466.564 -0.102 20 0 JBADLO C[C@@H](NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)c1ccc2c(c1)NC(=O)CO2 ZINC000504520344 1067777038 /nfs/dbraw/zinc/77/70/38/1067777038.db2.gz UHWPLPNTCVCDFA-OAHLLOKOSA-N 1 2 466.564 -0.102 20 0 JBADLO C[C@@H](Cn1cc[nH+]c1)NC(=O)N1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000505109768 1067777898 /nfs/dbraw/zinc/77/78/98/1067777898.db2.gz WMYQQJGAHXRBEJ-AWEZNQCLSA-N 1 2 456.550 -0.365 20 0 JBADLO C[C@H](Cn1cc[nH+]c1)NC(=O)N1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000505109769 1067778048 /nfs/dbraw/zinc/77/80/48/1067778048.db2.gz WMYQQJGAHXRBEJ-CQSZACIVSA-N 1 2 456.550 -0.365 20 0 JBADLO COC(=O)c1ccc(CCNC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC000505140490 1067778013 /nfs/dbraw/zinc/77/80/13/1067778013.db2.gz RYTRSOZVGOXYFL-UHFFFAOYSA-N 1 2 453.565 -0.165 20 0 JBADLO CN1CCN(S(=O)(=O)N2CCN(C(=O)NC[C@@]3([NH+]4CCOCC4)CCSC3)CC2)CC1 ZINC000505598071 1067812103 /nfs/dbraw/zinc/81/21/03/1067812103.db2.gz BCVXSXFIQKQFFW-IBGZPJMESA-N 1 2 476.669 -0.986 20 0 JBADLO CN1CCN(S(=O)(=O)N2CCN(C(=O)NC[C@]3([NH+]4CCOCC4)CCSC3)CC2)CC1 ZINC000505598072 1067811929 /nfs/dbraw/zinc/81/19/29/1067811929.db2.gz BCVXSXFIQKQFFW-LJQANCHMSA-N 1 2 476.669 -0.986 20 0 JBADLO NC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)NC[C@@]3([NH+]4CCOCC4)CCSC3)CC2)o1 ZINC000505598132 1067812153 /nfs/dbraw/zinc/81/21/53/1067812153.db2.gz BXKYUFYWPFXUOJ-IBGZPJMESA-N 1 2 487.604 -0.398 20 0 JBADLO NC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)NC[C@]3([NH+]4CCOCC4)CCSC3)CC2)o1 ZINC000505598133 1067812062 /nfs/dbraw/zinc/81/20/62/1067812062.db2.gz BXKYUFYWPFXUOJ-LJQANCHMSA-N 1 2 487.604 -0.398 20 0 JBADLO O=C(NC[C@]1([NH+]2CCOCC2)CCSC1)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000505599550 1067812127 /nfs/dbraw/zinc/81/21/27/1067812127.db2.gz MIHHHGJDKOCEKL-GOSISDBHSA-N 1 2 463.626 -0.902 20 0 JBADLO O=C(NC[C@@]1([NH+]2CCOCC2)CCSC1)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000505599551 1067811817 /nfs/dbraw/zinc/81/18/17/1067811817.db2.gz MIHHHGJDKOCEKL-SFHVURJKSA-N 1 2 463.626 -0.902 20 0 JBADLO C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)NC[C@@]3([NH+]4CCOCC4)CCSC3)CC2)C[C@@H](C)O1 ZINC000505600247 1067811891 /nfs/dbraw/zinc/81/18/91/1067811891.db2.gz UMPPNEYIJIKAEX-GGPKGHCWSA-N 1 2 491.680 -0.125 20 0 JBADLO C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)NC[C@@]3([NH+]4CCOCC4)CCSC3)CC2)C[C@H](C)O1 ZINC000505600248 1067812162 /nfs/dbraw/zinc/81/21/62/1067812162.db2.gz UMPPNEYIJIKAEX-NSHGMRRFSA-N 1 2 491.680 -0.125 20 0 JBADLO C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)NC[C@]3([NH+]4CCOCC4)CCSC3)CC2)C[C@@H](C)O1 ZINC000505600249 1067812036 /nfs/dbraw/zinc/81/20/36/1067812036.db2.gz UMPPNEYIJIKAEX-QWFCFKBJSA-N 1 2 491.680 -0.125 20 0 JBADLO C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)NC[C@]3([NH+]4CCOCC4)CCSC3)CC2)C[C@H](C)O1 ZINC000505600250 1067811988 /nfs/dbraw/zinc/81/19/88/1067811988.db2.gz UMPPNEYIJIKAEX-WSTZPKSXSA-N 1 2 491.680 -0.125 20 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CCOC(=O)c1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC000514336386 1067783626 /nfs/dbraw/zinc/78/36/26/1067783626.db2.gz ZZRVVOHWHKDBHW-UHFFFAOYSA-N 1 2 467.548 -0.562 20 0 JBADLO O=C(CN1C(=O)CCC1=O)N1CCN(C(=O)NCc2ccccc2OCC[NH+]2CCOCC2)CC1 ZINC000514340944 1067784343 /nfs/dbraw/zinc/78/43/43/1067784343.db2.gz JWQCWNXWPOZVII-UHFFFAOYSA-N 1 2 487.557 -0.100 20 0 JBADLO CCNC(=O)C[N@H+]1CCCN(C(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)CC1 ZINC000514342101 1067784277 /nfs/dbraw/zinc/78/42/77/1067784277.db2.gz HNLQAKXXVTXBFD-UHFFFAOYSA-N 1 2 458.606 -0.018 20 0 JBADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)CC1 ZINC000514342101 1067784269 /nfs/dbraw/zinc/78/42/69/1067784269.db2.gz HNLQAKXXVTXBFD-UHFFFAOYSA-N 1 2 458.606 -0.018 20 0 JBADLO CCNC(=O)C[N@H+]1CCCN(C(=O)c2cccc(S(=O)(=O)N3CCN(C(C)=O)CC3)c2)CC1 ZINC000514342513 1067785733 /nfs/dbraw/zinc/78/57/33/1067785733.db2.gz WHUGKKWWZLYEND-UHFFFAOYSA-N 1 2 479.603 -0.177 20 0 JBADLO 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O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000514352446 1067787887 /nfs/dbraw/zinc/78/78/87/1067787887.db2.gz SFUCHDOKPUXPAK-FQEVSTJZSA-N 1 2 467.592 -0.208 20 0 JBADLO O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000514352447 1067788030 /nfs/dbraw/zinc/78/80/30/1067788030.db2.gz SFUCHDOKPUXPAK-HXUWFJFHSA-N 1 2 467.592 -0.208 20 0 JBADLO O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000514352447 1067788021 /nfs/dbraw/zinc/78/80/21/1067788021.db2.gz SFUCHDOKPUXPAK-HXUWFJFHSA-N 1 2 467.592 -0.208 20 0 JBADLO CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)C3CCN(S(N)(=O)=O)CC3)cc2)CC1 ZINC000514352482 1067788062 /nfs/dbraw/zinc/78/80/62/1067788062.db2.gz UEBCLSAMZTXDJA-UHFFFAOYSA-N 1 2 481.619 -0.196 20 0 JBADLO CCOC(=O)C1CCN(C(=O)CN(C)C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000514353579 1067788305 /nfs/dbraw/zinc/78/83/05/1067788305.db2.gz GYRJAZNEXUAKMC-GOSISDBHSA-N 1 2 452.552 -0.573 20 0 JBADLO CCOC(=O)C1CCN(C(=O)CN(C)C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000514353580 1067788368 /nfs/dbraw/zinc/78/83/68/1067788368.db2.gz GYRJAZNEXUAKMC-SFHVURJKSA-N 1 2 452.552 -0.573 20 0 JBADLO COc1ccc(Cl)cc1NC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000514354382 1067788832 /nfs/dbraw/zinc/78/88/32/1067788832.db2.gz HCZISNAAXPTVPT-UHFFFAOYSA-N 1 2 459.956 -0.077 20 0 JBADLO Cc1ccc(S(=O)(=O)NCCNC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC000514354659 1067788443 /nfs/dbraw/zinc/78/84/43/1067788443.db2.gz KCMKFTNQAFKZIZ-UHFFFAOYSA-N 1 2 488.636 -0.907 20 0 JBADLO NS(=O)(=O)c1ccc(CCNC(=O)CC[NH+]2CCN(C(=O)C(=O)N3CCCC3)CC2)cc1 ZINC000514356926 1067789096 /nfs/dbraw/zinc/78/90/96/1067789096.db2.gz USPWOSZZNLMLDX-UHFFFAOYSA-N 1 2 465.576 -0.851 20 0 JBADLO C[C@H](c1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)c1)[NH+]1CCOCC1 ZINC000514362165 1067792961 /nfs/dbraw/zinc/79/29/61/1067792961.db2.gz VPCCNMZXYIVHRM-GOSISDBHSA-N 1 2 495.602 -0.261 20 0 JBADLO C[C@@H](c1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)N3CCOCC3)CC2)c1)[NH+]1CCOCC1 ZINC000514362166 1067793051 /nfs/dbraw/zinc/79/30/51/1067793051.db2.gz VPCCNMZXYIVHRM-SFHVURJKSA-N 1 2 495.602 -0.261 20 0 JBADLO C[C@H]1COCC[N@H+]1CCNC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3)CC1 ZINC000514362671 1067793342 /nfs/dbraw/zinc/79/33/42/1067793342.db2.gz IQHYACKGNYNBJF-HNNXBMFYSA-N 1 2 451.549 -0.082 20 0 JBADLO C[C@H]1COCC[N@@H+]1CCNC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3)CC1 ZINC000514362671 1067793334 /nfs/dbraw/zinc/79/33/34/1067793334.db2.gz IQHYACKGNYNBJF-HNNXBMFYSA-N 1 2 451.549 -0.082 20 0 JBADLO C[C@@H]1COCC[N@H+]1CCNC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3)CC1 ZINC000514362672 1067793448 /nfs/dbraw/zinc/79/34/48/1067793448.db2.gz IQHYACKGNYNBJF-OAHLLOKOSA-N 1 2 451.549 -0.082 20 0 JBADLO C[C@@H]1COCC[N@@H+]1CCNC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)CC(=O)N3)CC1 ZINC000514362672 1067793439 /nfs/dbraw/zinc/79/34/39/1067793439.db2.gz IQHYACKGNYNBJF-OAHLLOKOSA-N 1 2 451.549 -0.082 20 0 JBADLO C[C@@H](NC(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000514363759 1067789564 /nfs/dbraw/zinc/78/95/64/1067789564.db2.gz DCTDSFIEEVUYHV-MSOLQXFVSA-N 1 2 454.597 -0.058 20 0 JBADLO C[C@@H](NC(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1)[C@@H](C)[NH+]1CCOCC1 ZINC000514363760 1067789640 /nfs/dbraw/zinc/78/96/40/1067789640.db2.gz DCTDSFIEEVUYHV-QZTJIDSGSA-N 1 2 454.597 -0.058 20 0 JBADLO C[C@H](NC(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000514363761 1067789578 /nfs/dbraw/zinc/78/95/78/1067789578.db2.gz DCTDSFIEEVUYHV-ROUUACIJSA-N 1 2 454.597 -0.058 20 0 JBADLO C[C@H]([C@H](C)NC(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1)[NH+]1CCOCC1 ZINC000514363762 1067789461 /nfs/dbraw/zinc/78/94/61/1067789461.db2.gz DCTDSFIEEVUYHV-ZWKOTPCHSA-N 1 2 454.597 -0.058 20 0 JBADLO O=C(CN1C(=O)CCC1=O)N1CCN(C(=O)NCc2cccc(OCC[NH+]3CCOCC3)c2)CC1 ZINC000514364319 1067793824 /nfs/dbraw/zinc/79/38/24/1067793824.db2.gz WMQWBSAVXIFCDR-UHFFFAOYSA-N 1 2 487.557 -0.100 20 0 JBADLO COCCNC(=O)CN1CC[NH+](CCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 ZINC000514364347 1067793703 /nfs/dbraw/zinc/79/37/03/1067793703.db2.gz YFOABPSZLHKVHW-UHFFFAOYSA-N 1 2 470.592 -0.534 20 0 JBADLO COc1ccc(CN(C)C(=O)CN2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cc1OC ZINC000514365678 1067790317 /nfs/dbraw/zinc/79/03/17/1067790317.db2.gz XFVLGKCLCLOZNR-UHFFFAOYSA-N 1 2 469.608 -0.228 20 0 JBADLO CC(C)(C)NC(=O)CN1CCN(C(=O)C[NH+]2CCN(c3ccc(S(N)(=O)=O)cc3)CC2)CC1 ZINC000514366023 1067789996 /nfs/dbraw/zinc/78/99/96/1067789996.db2.gz AHAQDRBOFUKFNV-UHFFFAOYSA-N 1 2 480.635 -0.485 20 0 JBADLO COc1ccc(S(=O)(=O)N2CCOCC2)cc1NC(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000514369410 1067791893 /nfs/dbraw/zinc/79/18/93/1067791893.db2.gz FIXALVWGCBJELQ-UHFFFAOYSA-N 1 2 452.533 -0.039 20 0 JBADLO COc1ccc(COC[C@H](O)C[NH+]2CCN(C(=O)C(=O)N3CCOCC3)CC2)cc1OC ZINC000514371321 1067791969 /nfs/dbraw/zinc/79/19/69/1067791969.db2.gz MYIRNRBKNLWWAV-GOSISDBHSA-N 1 2 451.520 -0.416 20 0 JBADLO COc1ccc(COC[C@@H](O)C[NH+]2CCN(C(=O)C(=O)N3CCOCC3)CC2)cc1OC ZINC000514371323 1067792019 /nfs/dbraw/zinc/79/20/19/1067792019.db2.gz MYIRNRBKNLWWAV-SFHVURJKSA-N 1 2 451.520 -0.416 20 0 JBADLO COc1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cc1Cl ZINC000514371449 1067794073 /nfs/dbraw/zinc/79/40/73/1067794073.db2.gz ISHBRSTUPWRQFQ-UHFFFAOYSA-N 1 2 459.956 -0.077 20 0 JBADLO Cc1nc2ccc(NC(=O)C(=O)N3CCN(S(=O)(=O)N4CC[NH+](C)CC4)CC3)cc2o1 ZINC000514373515 1067795038 /nfs/dbraw/zinc/79/50/38/1067795038.db2.gz UKZOAMGXYQZDKR-UHFFFAOYSA-N 1 2 450.521 -0.289 20 0 JBADLO COC(=O)c1ccc(S(=O)(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)s1 ZINC000514373687 1067794858 /nfs/dbraw/zinc/79/48/58/1067794858.db2.gz XVXUDFHBYGEQMY-UHFFFAOYSA-N 1 2 452.580 -0.667 20 0 JBADLO CC(C)n1ncc2cc(NC(=O)C(=O)N3CCN(S(=O)(=O)N4CC[NH+](C)CC4)CC3)cnc21 ZINC000514374247 1067794491 /nfs/dbraw/zinc/79/44/91/1067794491.db2.gz OSACXBJBNQFZLT-UHFFFAOYSA-N 1 2 478.579 -0.413 20 0 JBADLO COCCOc1ccc(CNC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cn1 ZINC000514400462 1067794969 /nfs/dbraw/zinc/79/49/69/1067794969.db2.gz HYSSJEDBFXAKJN-UHFFFAOYSA-N 1 2 456.569 -0.574 20 0 JBADLO CCOc1ccc(OCCNC(=O)CN2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC000514454470 1067797468 /nfs/dbraw/zinc/79/74/68/1067797468.db2.gz FXJBFDUDIDFIJJ-UHFFFAOYSA-N 1 2 469.608 -0.310 20 0 JBADLO O=C(CN1CCN(S(=O)(=O)N2CCOCC2)CC1)N1CC[NH+](Cc2cccs2)CC1 ZINC000514454959 1067797370 /nfs/dbraw/zinc/79/73/70/1067797370.db2.gz IFGAVRXSAIQFDP-UHFFFAOYSA-N 1 2 457.622 -0.413 20 0 JBADLO O=C(CCNC(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1)N[C@@H]1CCS(=O)(=O)C1 ZINC000514455089 1067797256 /nfs/dbraw/zinc/79/72/56/1067797256.db2.gz JCHRFKSHXPDYMG-GOSISDBHSA-N 1 2 468.576 -0.110 20 0 JBADLO O=C(CCNC(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1)N[C@H]1CCS(=O)(=O)C1 ZINC000514455095 1067797410 /nfs/dbraw/zinc/79/74/10/1067797410.db2.gz JCHRFKSHXPDYMG-SFHVURJKSA-N 1 2 468.576 -0.110 20 0 JBADLO CN1CCN(S(=O)(=O)N2CCN(CC(=O)NCc3ccccc3C[NH+]3CCOCC3)CC2)CC1 ZINC000514455108 1067797490 /nfs/dbraw/zinc/79/74/90/1067797490.db2.gz JGBLUZLTFQEPJS-UHFFFAOYSA-N 1 2 494.662 -0.755 20 0 JBADLO Cc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000514456115 1067797733 /nfs/dbraw/zinc/79/77/33/1067797733.db2.gz FFAOAYVNUQMWME-UHFFFAOYSA-N 1 2 492.606 -0.986 20 0 JBADLO CC(C)N(C)C(=O)C1CCN(C(=O)CN2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CC1 ZINC000514456379 1067797863 /nfs/dbraw/zinc/79/78/63/1067797863.db2.gz PPLJYDZCIVXYDT-UHFFFAOYSA-N 1 2 472.656 -0.798 20 0 JBADLO C[C@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000514456822 1067795823 /nfs/dbraw/zinc/79/58/23/1067795823.db2.gz RSFBQVGKBHHEIS-GOSISDBHSA-N 1 2 482.607 -0.938 20 0 JBADLO C[C@@H](C(=O)N1CCN(C(=O)c2ccco2)CC1)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000514456826 1067795756 /nfs/dbraw/zinc/79/57/56/1067795756.db2.gz RSFBQVGKBHHEIS-SFHVURJKSA-N 1 2 482.607 -0.938 20 0 JBADLO O=C(C[N@H+]1CCCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)c[nH]2)CC1)N1CCCC1 ZINC000514457032 1067795861 /nfs/dbraw/zinc/79/58/61/1067795861.db2.gz MJWRJTCLPQYNIW-UHFFFAOYSA-N 1 2 453.565 -0.194 20 0 JBADLO O=C(C[N@@H+]1CCCN(C(=O)c2cc(S(=O)(=O)N3CCOCC3)c[nH]2)CC1)N1CCCC1 ZINC000514457032 1067795851 /nfs/dbraw/zinc/79/58/51/1067795851.db2.gz MJWRJTCLPQYNIW-UHFFFAOYSA-N 1 2 453.565 -0.194 20 0 JBADLO CCc1ccccc1NC(=O)CNC(=O)CN1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000514457513 1067796202 /nfs/dbraw/zinc/79/62/02/1067796202.db2.gz VSKSBEITVRCAHM-UHFFFAOYSA-N 1 2 466.608 -0.587 20 0 JBADLO COc1ccccc1N(CCC(N)=O)C(=O)CN1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000514457538 1067796218 /nfs/dbraw/zinc/79/62/18/1067796218.db2.gz WHSATUVAWYAUBU-UHFFFAOYSA-N 1 2 482.607 -0.987 20 0 JBADLO CN1CC(=O)N(CCCC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C1=O ZINC000514460468 1067796430 /nfs/dbraw/zinc/79/64/30/1067796430.db2.gz XACCKJAVMFOEHM-UHFFFAOYSA-N 1 2 452.537 -0.676 20 0 JBADLO Cc1cc(N2CCN(C(=O)CN3C(=O)N[C@@H](CCS(C)(=O)=O)C3=O)CC2)nc(C(C)C)[nH+]1 ZINC000514460663 1067796617 /nfs/dbraw/zinc/79/66/17/1067796617.db2.gz DVMSPAZISBRIJH-HNNXBMFYSA-N 1 2 466.564 -0.088 20 0 JBADLO Cc1cc(N2CCN(C(=O)CN3C(=O)N[C@H](CCS(C)(=O)=O)C3=O)CC2)nc(C(C)C)[nH+]1 ZINC000514460667 1067796586 /nfs/dbraw/zinc/79/65/86/1067796586.db2.gz DVMSPAZISBRIJH-OAHLLOKOSA-N 1 2 466.564 -0.088 20 0 JBADLO COCCOc1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC000514465907 1067799254 /nfs/dbraw/zinc/79/92/54/1067799254.db2.gz FHRBFXOSPGYUJY-UHFFFAOYSA-N 1 2 469.564 -0.713 20 0 JBADLO CCOc1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cc1F ZINC000514465962 1067799854 /nfs/dbraw/zinc/79/98/54/1067799854.db2.gz GQKLHUZIIFQDKQ-UHFFFAOYSA-N 1 2 457.528 -0.201 20 0 JBADLO CC(C)(CNC(=O)CN1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1)[NH+]1CCOCC1 ZINC000514465976 1067799922 /nfs/dbraw/zinc/79/99/22/1067799922.db2.gz GYVRMCLGYZRBOU-UHFFFAOYSA-N 1 2 482.603 -0.009 20 0 JBADLO Cc1cc(N2CCOCC2)ccc1NC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000514465982 1067799825 /nfs/dbraw/zinc/79/98/25/1067799825.db2.gz HFZVROKKRZJEQF-UHFFFAOYSA-N 1 2 494.618 -0.593 20 0 JBADLO COc1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c(OC)c1 ZINC000514466638 1067800199 /nfs/dbraw/zinc/80/01/99/1067800199.db2.gz IGPUHDWTDAVWSX-UHFFFAOYSA-N 1 2 455.537 -0.721 20 0 JBADLO CC(=O)Nc1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000514466710 1067800442 /nfs/dbraw/zinc/80/04/42/1067800442.db2.gz IXGKLZHTFOXNRA-UHFFFAOYSA-N 1 2 452.537 -0.780 20 0 JBADLO COc1c(F)cc(NC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cc1F ZINC000514466745 1067800330 /nfs/dbraw/zinc/80/03/30/1067800330.db2.gz JPDWJDXOTGTMDR-UHFFFAOYSA-N 1 2 461.491 -0.452 20 0 JBADLO COC(=O)CCOc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC000514467096 1067799888 /nfs/dbraw/zinc/79/98/88/1067799888.db2.gz NSFGOWXKNVJLHT-UHFFFAOYSA-N 1 2 490.604 -0.573 20 0 JBADLO CCS(=O)(=O)c1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC000514467183 1067799668 /nfs/dbraw/zinc/79/96/68/1067799668.db2.gz MGJBMPOVAMSKQQ-UHFFFAOYSA-N 1 2 487.604 -0.945 20 0 JBADLO COC(=O)c1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1C ZINC000514467533 1067801122 /nfs/dbraw/zinc/80/11/22/1067801122.db2.gz ORKFPYYCEFHWMX-UHFFFAOYSA-N 1 2 467.548 -0.643 20 0 JBADLO CNC(=O)[C@@H]1CN(C(=O)C(=O)N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)c2ccccc2O1 ZINC000514467539 1067801171 /nfs/dbraw/zinc/80/11/71/1067801171.db2.gz OXZIJGPAXCNACI-IBGZPJMESA-N 1 2 457.531 -0.317 20 0 JBADLO CNC(=O)[C@@H]1CN(C(=O)C(=O)N2CCC[N@H+](CC(=O)N3CCCC3)CC2)c2ccccc2O1 ZINC000514467539 1067801160 /nfs/dbraw/zinc/80/11/60/1067801160.db2.gz OXZIJGPAXCNACI-IBGZPJMESA-N 1 2 457.531 -0.317 20 0 JBADLO CNC(=O)[C@H]1CN(C(=O)C(=O)N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)c2ccccc2O1 ZINC000514467540 1067801193 /nfs/dbraw/zinc/80/11/93/1067801193.db2.gz OXZIJGPAXCNACI-LJQANCHMSA-N 1 2 457.531 -0.317 20 0 JBADLO 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O=C(Cn1cnnn1)N1CCN(C(=O)NCc2ccccc2OCC[NH+]2CCOCC2)CC1 ZINC000514481379 1067806946 /nfs/dbraw/zinc/80/69/46/1067806946.db2.gz PVLVHKCALFEWTA-UHFFFAOYSA-N 1 2 458.523 -0.562 20 0 JBADLO COc1ccc(CNC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cc1NC(C)=O ZINC000514481607 1067808495 /nfs/dbraw/zinc/80/84/95/1067808495.db2.gz FXPSYWWKUMLAGS-UHFFFAOYSA-N 1 2 468.580 -0.027 20 0 JBADLO O=C(CCNC(=O)N1CCN(C(=O)CN2CCOCC2)CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000514481931 1067807916 /nfs/dbraw/zinc/80/79/16/1067807916.db2.gz CTUAFMFIVXUFTQ-UHFFFAOYSA-N 1 2 473.578 -0.694 20 0 JBADLO COC(=O)c1cc(NC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c(F)cc1F ZINC000514482352 1067807962 /nfs/dbraw/zinc/80/79/62/1067807962.db2.gz NCSHTBVSBRDVJL-UHFFFAOYSA-N 1 2 489.501 -0.674 20 0 JBADLO CC(C)Cn1c(N)c(C(=O)C[NH+]2CCC(CNC(=O)c3cnn(C)c3)CC2)c(=O)n(C)c1=O ZINC000514483371 1067808733 /nfs/dbraw/zinc/80/87/33/1067808733.db2.gz LEUMDEGZGAFCKE-UHFFFAOYSA-N 1 2 459.551 -0.157 20 0 JBADLO NC(=O)CNC(=O)c1cccc(NC(=O)C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)c1 ZINC000514547338 1067810355 /nfs/dbraw/zinc/81/03/55/1067810355.db2.gz GBDJVNYLFSULJD-UHFFFAOYSA-N 1 2 470.505 -0.082 20 0 JBADLO NC(=O)COc1cccc(NC(=O)C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)c1 ZINC000514548494 1067810936 /nfs/dbraw/zinc/81/09/36/1067810936.db2.gz IRONPSLZIWUUCA-UHFFFAOYSA-N 1 2 490.542 -0.848 20 0 JBADLO CS(=O)(=O)c1cccc(S(=O)(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)c1 ZINC000515100161 1067816245 /nfs/dbraw/zinc/81/62/45/1067816245.db2.gz NAJGWZHYDDAAKY-UHFFFAOYSA-N 1 2 488.613 -0.085 20 0 JBADLO CS(=O)(=O)c1ccccc1S(=O)(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000515100309 1067816189 /nfs/dbraw/zinc/81/61/89/1067816189.db2.gz WYNNOCLPCBCQSC-UHFFFAOYSA-N 1 2 488.613 -0.085 20 0 JBADLO CCOC(=O)c1cccc(OC[C@@H](O)CN2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000515123795 1067816416 /nfs/dbraw/zinc/81/64/16/1067816416.db2.gz RLKKTXLWUHQPAB-IBGZPJMESA-N 1 2 470.592 -0.287 20 0 JBADLO CCOC(=O)c1cccc(OC[C@H](O)CN2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000515123798 1067816445 /nfs/dbraw/zinc/81/64/45/1067816445.db2.gz RLKKTXLWUHQPAB-LJQANCHMSA-N 1 2 470.592 -0.287 20 0 JBADLO COCCn1cnc2c1c(=O)n(CC(=O)N[C@H](C)C[NH+]1CCOCC1)c(=O)n2Cc1ccccc1 ZINC000515129136 1067816215 /nfs/dbraw/zinc/81/62/15/1067816215.db2.gz XIUCCIMQSZNXBS-GOSISDBHSA-N 1 2 484.557 -0.109 20 0 JBADLO COCCn1cnc2c1c(=O)n(CC(=O)N[C@@H](C)C[NH+]1CCOCC1)c(=O)n2Cc1ccccc1 ZINC000515129144 1067816333 /nfs/dbraw/zinc/81/63/33/1067816333.db2.gz XIUCCIMQSZNXBS-SFHVURJKSA-N 1 2 484.557 -0.109 20 0 JBADLO NC(=O)CNC(=O)c1cccc(NC(=O)C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)c1 ZINC000515144317 1067816669 /nfs/dbraw/zinc/81/66/69/1067816669.db2.gz KYYLTMIFVIIAAQ-IBGZPJMESA-N 1 2 453.499 -0.143 20 0 JBADLO NC(=O)CNC(=O)c1cccc(NC(=O)C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)c1 ZINC000515144317 1067816659 /nfs/dbraw/zinc/81/66/59/1067816659.db2.gz KYYLTMIFVIIAAQ-IBGZPJMESA-N 1 2 453.499 -0.143 20 0 JBADLO 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O=C(NCCN1CCOCC1)c1ccc(NC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000517848254 1067865710 /nfs/dbraw/zinc/86/57/10/1067865710.db2.gz JIVPXGJTZBLCLB-FQEVSTJZSA-N 1 2 473.574 -0.132 20 0 JBADLO O=C(NCCN1CCOCC1)c1ccc(NC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000517848259 1067865777 /nfs/dbraw/zinc/86/57/77/1067865777.db2.gz JIVPXGJTZBLCLB-HXUWFJFHSA-N 1 2 473.574 -0.132 20 0 JBADLO CC(C)[C@H](CNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCN(C)CC2)c1)[NH+]1CCN(C)CC1 ZINC000517849627 1067865242 /nfs/dbraw/zinc/86/52/42/1067865242.db2.gz CEKMFTKEFDRRRQ-NRFANRHFSA-N 1 2 494.662 -0.051 20 0 JBADLO CC(C)[C@@H](CNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCN(C)CC2)c1)[NH+]1CCN(C)CC1 ZINC000517849628 1067865871 /nfs/dbraw/zinc/86/58/71/1067865871.db2.gz CEKMFTKEFDRRRQ-OAQYLSRUSA-N 1 2 494.662 -0.051 20 0 JBADLO CN1CC[NH+](Cc2cccc(NC(=O)C(=O)N3CCN(C(=O)CN4CCOCC4)CC3)c2)CC1 ZINC000517860830 1067865855 /nfs/dbraw/zinc/86/58/55/1067865855.db2.gz SKVVSDHUILIBEO-UHFFFAOYSA-N 1 2 472.590 -0.625 20 0 JBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C(=O)Nc2cccc(N3CCS(=O)(=O)CC3)c2)CC1 ZINC000517860867 1067866356 /nfs/dbraw/zinc/86/63/56/1067866356.db2.gz VHYBEWZAKMBNPZ-UHFFFAOYSA-N 1 2 498.569 -0.115 20 0 JBADLO O=C(CSCC(=O)N1CCOCC1)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000517882437 1067866398 /nfs/dbraw/zinc/86/63/98/1067866398.db2.gz OZCWGUOPKBLLLO-UHFFFAOYSA-N 1 2 471.605 -0.758 20 0 JBADLO O=C(CN1C(=O)CCC1=O)N1CCN(C(=O)NC[C@@]2([NH+]3CCOCC3)CCSC2)CC1 ZINC000517887986 1067866186 /nfs/dbraw/zinc/86/61/86/1067866186.db2.gz NIGCFYNOHVOINH-FQEVSTJZSA-N 1 2 453.565 -0.803 20 0 JBADLO O=C(CN1C(=O)CCC1=O)N1CCN(C(=O)NC[C@]2([NH+]3CCOCC3)CCSC2)CC1 ZINC000517887987 1067866282 /nfs/dbraw/zinc/86/62/82/1067866282.db2.gz NIGCFYNOHVOINH-HXUWFJFHSA-N 1 2 453.565 -0.803 20 0 JBADLO C[C@@H](c1cccc(NC(=O)C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)c1)[NH+]1CCOCC1 ZINC000517945472 1067867242 /nfs/dbraw/zinc/86/72/42/1067867242.db2.gz ZLJZOSXKLMUICJ-INIZCTEOSA-N 1 2 457.531 -0.032 20 0 JBADLO C[C@H](c1cccc(NC(=O)C(=O)N2CCN(C(=O)C(=O)NC3CC3)CC2)c1)[NH+]1CCOCC1 ZINC000517945473 1067867476 /nfs/dbraw/zinc/86/74/76/1067867476.db2.gz ZLJZOSXKLMUICJ-MRXNPFEDSA-N 1 2 457.531 -0.032 20 0 JBADLO Cc1cccc(N2C(=O)N[C@@H](CCC(=O)N3CCN(S(=O)(=O)N4CC[NH+](C)CC4)CC3)C2=O)c1 ZINC000518081105 1067869205 /nfs/dbraw/zinc/86/92/05/1067869205.db2.gz PLKDNGKNRICDEA-IBGZPJMESA-N 1 2 492.602 -0.164 20 0 JBADLO Cc1cccc(N2C(=O)N[C@H](CCC(=O)N3CCN(S(=O)(=O)N4CC[NH+](C)CC4)CC3)C2=O)c1 ZINC000518081110 1067869385 /nfs/dbraw/zinc/86/93/85/1067869385.db2.gz PLKDNGKNRICDEA-LJQANCHMSA-N 1 2 492.602 -0.164 20 0 JBADLO COC(=O)[C@@H]1CN(C(=O)C(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)c2ccccc2O1 ZINC000518096793 1067869901 /nfs/dbraw/zinc/86/99/01/1067869901.db2.gz GOOGUMFWQVYZGK-KRWDZBQOSA-N 1 2 465.470 -0.021 20 0 JBADLO COC(=O)[C@H]1CN(C(=O)C(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)c2ccccc2O1 ZINC000518096794 1067870414 /nfs/dbraw/zinc/87/04/14/1067870414.db2.gz GOOGUMFWQVYZGK-QGZVFWFLSA-N 1 2 465.470 -0.021 20 0 JBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)C(=O)Nc2ccccc2OCCC(N)=O)CC1 ZINC000518100694 1067870476 /nfs/dbraw/zinc/87/04/76/1067870476.db2.gz QJWFKYWAZCNOQW-UHFFFAOYSA-N 1 2 452.475 -0.095 20 0 JBADLO COC(=O)CCNC(=O)c1ccc(NC(=O)C(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)cc1 ZINC000518101838 1067870795 /nfs/dbraw/zinc/87/07/95/1067870795.db2.gz URGCHFCZXMVHOP-UHFFFAOYSA-N 1 2 494.512 -0.057 20 0 JBADLO CNC(=O)[C@@H]1CN(C(=O)C(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)c2ccccc2O1 ZINC000518105658 1067871047 /nfs/dbraw/zinc/87/10/47/1067871047.db2.gz ZOLUNJXOCYZSSA-KRWDZBQOSA-N 1 2 464.486 -0.448 20 0 JBADLO CNC(=O)[C@H]1CN(C(=O)C(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)c2ccccc2O1 ZINC000518105659 1067870904 /nfs/dbraw/zinc/87/09/04/1067870904.db2.gz ZOLUNJXOCYZSSA-QGZVFWFLSA-N 1 2 464.486 -0.448 20 0 JBADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)Nc2ccc(C(=O)NCC(=O)OC)cc2)CC1 ZINC000518105711 1067870962 /nfs/dbraw/zinc/87/09/62/1067870962.db2.gz HLMANNCHQYVTHV-UHFFFAOYSA-N 1 2 475.546 -0.069 20 0 JBADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)Nc2ccc(C(=O)NCC(=O)OC)cc2)CC1 ZINC000518105711 1067870943 /nfs/dbraw/zinc/87/09/43/1067870943.db2.gz HLMANNCHQYVTHV-UHFFFAOYSA-N 1 2 475.546 -0.069 20 0 JBADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)Nc2cccc(C(=O)NCC(N)=O)c2)CC1 ZINC000518107629 1067870876 /nfs/dbraw/zinc/87/08/76/1067870876.db2.gz FGBUJUVKIUYVDW-UHFFFAOYSA-N 1 2 460.535 -0.757 20 0 JBADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)Nc2cccc(C(=O)NCC(N)=O)c2)CC1 ZINC000518107629 1067870867 /nfs/dbraw/zinc/87/08/67/1067870867.db2.gz FGBUJUVKIUYVDW-UHFFFAOYSA-N 1 2 460.535 -0.757 20 0 JBADLO COc1c(C)ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1C ZINC000518138644 1067872269 /nfs/dbraw/zinc/87/22/69/1067872269.db2.gz JNXXOTUZUWOTIU-UHFFFAOYSA-N 1 2 453.565 -0.113 20 0 JBADLO CCOCCOCc1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000518139648 1067872890 /nfs/dbraw/zinc/87/28/90/1067872890.db2.gz VAAKTUCPHWOOGO-UHFFFAOYSA-N 1 2 497.618 -0.185 20 0 JBADLO CCN(CC)c1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cn1 ZINC000518141803 1067873859 /nfs/dbraw/zinc/87/38/59/1067873859.db2.gz OYZWKNOSVOQRCU-UHFFFAOYSA-N 1 2 467.596 -0.497 20 0 JBADLO CCNC(=O)c1ccc(C)c(NC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000518142042 1067873422 /nfs/dbraw/zinc/87/34/22/1067873422.db2.gz CSLCOSJDCVOJGH-UHFFFAOYSA-N 1 2 480.591 -0.680 20 0 JBADLO CCN(Cc1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1)C(C)=O ZINC000518142291 1067873682 /nfs/dbraw/zinc/87/36/82/1067873682.db2.gz QYTOOGFTOZSWNB-UHFFFAOYSA-N 1 2 494.618 -0.370 20 0 JBADLO Cc1ccc(C(=O)N(C)C)cc1NC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000518142383 1067873841 /nfs/dbraw/zinc/87/38/41/1067873841.db2.gz JHRJHVIXIIZHMI-UHFFFAOYSA-N 1 2 480.591 -0.728 20 0 JBADLO COc1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cc1OC ZINC000518142765 1067873804 /nfs/dbraw/zinc/87/38/04/1067873804.db2.gz SPODUADOAADVJA-UHFFFAOYSA-N 1 2 455.537 -0.721 20 0 JBADLO CCn1cnnc1-c1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000518145040 1067874306 /nfs/dbraw/zinc/87/43/06/1067874306.db2.gz BEDCGHLBALBKOU-UHFFFAOYSA-N 1 2 490.590 -0.460 20 0 JBADLO CC(C)C(=O)Nc1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000518145149 1067874426 /nfs/dbraw/zinc/87/44/26/1067874426.db2.gz DNUBPOBGKKVRBN-UHFFFAOYSA-N 1 2 480.591 -0.144 20 0 JBADLO CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)N3CCN(C(=O)C(=O)NC(C)C)CC3)cc2)CC1 ZINC000518145949 1067874347 /nfs/dbraw/zinc/87/43/47/1067874347.db2.gz XKOCIQOPARSUFF-UHFFFAOYSA-N 1 2 472.590 -0.042 20 0 JBADLO Cc1cc(C(=O)NC(C)C)ccc1NC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000518146117 1067874117 /nfs/dbraw/zinc/87/41/17/1067874117.db2.gz UWHMUCWBFAFVGX-UHFFFAOYSA-N 1 2 494.618 -0.292 20 0 JBADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000518244765 1067875854 /nfs/dbraw/zinc/87/58/54/1067875854.db2.gz CMVMGYZRIJTHHI-UHFFFAOYSA-N 1 2 462.532 -0.412 20 0 JBADLO C[C@@H](C(=O)N(C)CC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)n1cccn1 ZINC000518458146 1067877467 /nfs/dbraw/zinc/87/74/67/1067877467.db2.gz DZFDOZQKRRYAKC-KRWDZBQOSA-N 1 2 463.564 -0.434 20 0 JBADLO C[C@H](C(=O)N(C)CC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)n1cccn1 ZINC000518458147 1067877531 /nfs/dbraw/zinc/87/75/31/1067877531.db2.gz DZFDOZQKRRYAKC-QGZVFWFLSA-N 1 2 463.564 -0.434 20 0 JBADLO CCN(Cc1ccccc1)C(=O)CNC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000518477234 1067877918 /nfs/dbraw/zinc/87/79/18/1067877918.db2.gz OIGAPASOSAHKFA-UHFFFAOYSA-N 1 2 466.608 -0.146 20 0 JBADLO CN1CC[NH+](Cc2cccc(NC(=O)C(=O)NCc3ccc(C(=O)NCC(N)=O)cc3)c2)CC1 ZINC000518571236 1067879132 /nfs/dbraw/zinc/87/91/32/1067879132.db2.gz XGZRTMPPDXEROL-UHFFFAOYSA-N 1 2 466.542 -0.096 20 0 JBADLO CN1CC[NH+](Cc2cccc(NC(=O)C(=O)N3CCN(C(=O)C(=O)N4CCCC4)CC3)c2)CC1 ZINC000518600268 1067880012 /nfs/dbraw/zinc/88/00/12/1067880012.db2.gz PDKWWANWGUHHNL-UHFFFAOYSA-N 1 2 470.574 -0.334 20 0 JBADLO Cc1nnc(S(=O)(=O)CC(=O)N2CCN(c3cc(C)[nH+]c(C(C)C)n3)CC2)n1CC(N)=O ZINC000518674743 1067881915 /nfs/dbraw/zinc/88/19/15/1067881915.db2.gz JJUSURZQDNEWDT-UHFFFAOYSA-N 1 2 464.552 -0.584 20 0 JBADLO CCNC(=O)C[N@H+]1CCCN(C(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)CC1 ZINC000518806321 1067883061 /nfs/dbraw/zinc/88/30/61/1067883061.db2.gz GEHHOQAFCDMBIZ-UHFFFAOYSA-N 1 2 451.549 -0.909 20 0 JBADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)CC1 ZINC000518806321 1067883049 /nfs/dbraw/zinc/88/30/49/1067883049.db2.gz GEHHOQAFCDMBIZ-UHFFFAOYSA-N 1 2 451.549 -0.909 20 0 JBADLO O=C(NCc1cccc(OCC[NH+]2CCOCC2)c1)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000518920931 1067883570 /nfs/dbraw/zinc/88/35/70/1067883570.db2.gz YRBWZTIDKZHUTR-UHFFFAOYSA-N 1 2 489.573 -0.390 20 0 JBADLO Cc1nc2c(c(=O)[nH]n2C)c(C)c1CC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000519082936 1067884735 /nfs/dbraw/zinc/88/47/35/1067884735.db2.gz ROYVZCIOQRWXNK-UHFFFAOYSA-N 1 2 465.580 -0.530 20 0 JBADLO Cc1noc(C)c1S(=O)(=O)N1CCCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000519085109 1067884721 /nfs/dbraw/zinc/88/47/21/1067884721.db2.gz LFWKEQZSOOONDX-GOSISDBHSA-N 1 2 483.591 -0.305 20 0 JBADLO Cc1noc(C)c1S(=O)(=O)N1CCCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000519085110 1067884688 /nfs/dbraw/zinc/88/46/88/1067884688.db2.gz LFWKEQZSOOONDX-SFHVURJKSA-N 1 2 483.591 -0.305 20 0 JBADLO O=C([C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000519097448 1067884771 /nfs/dbraw/zinc/88/47/71/1067884771.db2.gz MHJXIVQXKLMONN-GOSISDBHSA-N 1 2 450.561 -0.300 20 0 JBADLO O=C([C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCN(S(=O)(=O)c2ccccc2)CC1 ZINC000519097449 1067884585 /nfs/dbraw/zinc/88/45/85/1067884585.db2.gz MHJXIVQXKLMONN-SFHVURJKSA-N 1 2 450.561 -0.300 20 0 JBADLO CN1CCN(S(=O)(=O)c2cccc(NC(=O)[C@@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)c2)CC1 ZINC000519140927 1067885167 /nfs/dbraw/zinc/88/51/67/1067885167.db2.gz BJUQIOKRHNYBAS-GOSISDBHSA-N 1 2 479.603 -0.258 20 0 JBADLO CN1CCN(S(=O)(=O)c2cccc(NC(=O)[C@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)c2)CC1 ZINC000519140928 1067885322 /nfs/dbraw/zinc/88/53/22/1067885322.db2.gz BJUQIOKRHNYBAS-SFHVURJKSA-N 1 2 479.603 -0.258 20 0 JBADLO CNS(=O)(=O)c1ccccc1N1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000519144584 1067885102 /nfs/dbraw/zinc/88/51/02/1067885102.db2.gz OUTMLABPDMPLHX-GOSISDBHSA-N 1 2 479.603 -0.576 20 0 JBADLO CNS(=O)(=O)c1ccccc1N1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000519144585 1067885423 /nfs/dbraw/zinc/88/54/23/1067885423.db2.gz OUTMLABPDMPLHX-SFHVURJKSA-N 1 2 479.603 -0.576 20 0 JBADLO COC(=O)c1ccc(OC[C@@H](O)C[NH+]2CCN(C(=O)CN3C(=O)CCC3=O)CC2)c(OC)c1 ZINC000519190285 1067885874 /nfs/dbraw/zinc/88/58/74/1067885874.db2.gz ILAMQWDLMWGJBZ-INIZCTEOSA-N 1 2 463.487 -0.485 20 0 JBADLO COC(=O)c1ccc(OC[C@H](O)C[NH+]2CCN(C(=O)CN3C(=O)CCC3=O)CC2)c(OC)c1 ZINC000519190286 1067886028 /nfs/dbraw/zinc/88/60/28/1067886028.db2.gz ILAMQWDLMWGJBZ-MRXNPFEDSA-N 1 2 463.487 -0.485 20 0 JBADLO CCOc1cc2c(cc1NC(=O)C(=O)N1CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC1)O[C@@H](C)C2 ZINC000519337481 1067887637 /nfs/dbraw/zinc/88/76/37/1067887637.db2.gz FJDYPDIUTBVHHL-INIZCTEOSA-N 1 2 495.602 -0.016 20 0 JBADLO CCOc1cc2c(cc1NC(=O)C(=O)N1CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC1)O[C@H](C)C2 ZINC000519337482 1067887821 /nfs/dbraw/zinc/88/78/21/1067887821.db2.gz FJDYPDIUTBVHHL-MRXNPFEDSA-N 1 2 495.602 -0.016 20 0 JBADLO O=C(NCc1ccccc1OCC[NH+]1CCOCC1)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000519451730 1067889320 /nfs/dbraw/zinc/88/93/20/1067889320.db2.gz MXYTVCHXPQFKCU-UHFFFAOYSA-N 1 2 497.618 -0.198 20 0 JBADLO O=C(NCc1ccccc1OCC[NH+]1CCOCC1)N1CCN(C(=O)C(=O)N2CCOCC2)CC1 ZINC000519452078 1067888917 /nfs/dbraw/zinc/88/89/17/1067888917.db2.gz WGGJHTSEQQYUNH-UHFFFAOYSA-N 1 2 489.573 -0.390 20 0 JBADLO O=C([C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1 ZINC000519898575 1067897577 /nfs/dbraw/zinc/89/75/77/1067897577.db2.gz CTRBEHDQCLHCKH-INIZCTEOSA-N 1 2 486.541 -0.022 20 0 JBADLO O=C([C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCN(S(=O)(=O)c2ccc(F)cc2F)CC1 ZINC000519898576 1067897449 /nfs/dbraw/zinc/89/74/49/1067897449.db2.gz CTRBEHDQCLHCKH-MRXNPFEDSA-N 1 2 486.541 -0.022 20 0 JBADLO O=C(CN1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1)NCc1ccccc1 ZINC000519899221 1067897409 /nfs/dbraw/zinc/89/74/09/1067897409.db2.gz LGCDDZGDYQWDDF-NRFANRHFSA-N 1 2 457.575 -0.372 20 0 JBADLO O=C(CN1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1)NCc1ccccc1 ZINC000519899222 1067897554 /nfs/dbraw/zinc/89/75/54/1067897554.db2.gz LGCDDZGDYQWDDF-OAQYLSRUSA-N 1 2 457.575 -0.372 20 0 JBADLO Cn1c2ncn(CC(=O)NCc3cccc(OCC[NH+]4CCOCC4)c3)c2c(=O)n(C)c1=O ZINC000519947849 1067898152 /nfs/dbraw/zinc/89/81/52/1067898152.db2.gz LYMCIGCHZZYIHV-UHFFFAOYSA-N 1 2 456.503 -0.539 20 0 JBADLO O=S(=O)(CCNS(=O)(=O)c1cccc(-n2cnnn2)c1)N1CCN(c2cccc[nH+]2)CC1 ZINC000520073776 1067899366 /nfs/dbraw/zinc/89/93/66/1067899366.db2.gz PGVXBKFAMCXMBH-UHFFFAOYSA-N 1 2 478.560 -0.512 20 0 JBADLO CCN(CC)C(=O)C[N@H+]1CCCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)NC)c2)CC1 ZINC000520084415 1067900076 /nfs/dbraw/zinc/90/00/76/1067900076.db2.gz GZDFZQUNRSAMGN-UHFFFAOYSA-N 1 2 453.565 -0.064 20 0 JBADLO CCN(CC)C(=O)C[N@@H+]1CCCN(C(=O)C(=O)Nc2cccc(S(=O)(=O)NC)c2)CC1 ZINC000520084415 1067900075 /nfs/dbraw/zinc/90/00/75/1067900075.db2.gz GZDFZQUNRSAMGN-UHFFFAOYSA-N 1 2 453.565 -0.064 20 0 JBADLO O=C(CC[NH+]1CCN(S(=O)(=O)N2CCOCC2)CC1)N1CCN(c2ccccn2)CC1 ZINC000520129744 1067900502 /nfs/dbraw/zinc/90/05/02/1067900502.db2.gz NZAHFRUAVSVDBY-UHFFFAOYSA-N 1 2 452.581 -0.685 20 0 JBADLO O=C(Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000520164115 1067900779 /nfs/dbraw/zinc/90/07/79/1067900779.db2.gz FGCKFILFXNAELP-INIZCTEOSA-N 1 2 484.550 -0.034 20 0 JBADLO O=C(Nc1ccc(F)c(S(=O)(=O)N2CCOCC2)c1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000520164116 1067900860 /nfs/dbraw/zinc/90/08/60/1067900860.db2.gz FGCKFILFXNAELP-MRXNPFEDSA-N 1 2 484.550 -0.034 20 0 JBADLO CS(=O)(=O)NC[C@@H]1CCCC[N@H+]1CC(=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC000520386842 1067901312 /nfs/dbraw/zinc/90/13/12/1067901312.db2.gz BKMQWGGVBWDGDW-FXAWDEMLSA-N 1 2 480.587 -0.099 20 0 JBADLO CS(=O)(=O)NC[C@@H]1CCCC[N@@H+]1CC(=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC000520386842 1067901311 /nfs/dbraw/zinc/90/13/11/1067901311.db2.gz BKMQWGGVBWDGDW-FXAWDEMLSA-N 1 2 480.587 -0.099 20 0 JBADLO CS(=O)(=O)NC[C@@H]1CCCC[N@H+]1CC(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC000520386843 1067901233 /nfs/dbraw/zinc/90/12/33/1067901233.db2.gz BKMQWGGVBWDGDW-PXNSSMCTSA-N 1 2 480.587 -0.099 20 0 JBADLO CS(=O)(=O)NC[C@@H]1CCCC[N@@H+]1CC(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC000520386843 1067901231 /nfs/dbraw/zinc/90/12/31/1067901231.db2.gz BKMQWGGVBWDGDW-PXNSSMCTSA-N 1 2 480.587 -0.099 20 0 JBADLO CS(=O)(=O)NC[C@H]1CCCC[N@H+]1CC(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC000520386844 1067901222 /nfs/dbraw/zinc/90/12/22/1067901222.db2.gz BKMQWGGVBWDGDW-XLIONFOSSA-N 1 2 480.587 -0.099 20 0 JBADLO CS(=O)(=O)NC[C@H]1CCCC[N@@H+]1CC(=O)N1CCN(C(=O)[C@@H]2COc3ccccc3O2)CC1 ZINC000520386844 1067901216 /nfs/dbraw/zinc/90/12/16/1067901216.db2.gz BKMQWGGVBWDGDW-XLIONFOSSA-N 1 2 480.587 -0.099 20 0 JBADLO CS(=O)(=O)NC[C@H]1CCCC[N@H+]1CC(=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC000520386845 1067901669 /nfs/dbraw/zinc/90/16/69/1067901669.db2.gz BKMQWGGVBWDGDW-YLJYHZDGSA-N 1 2 480.587 -0.099 20 0 JBADLO CS(=O)(=O)NC[C@H]1CCCC[N@@H+]1CC(=O)N1CCN(C(=O)[C@H]2COc3ccccc3O2)CC1 ZINC000520386845 1067901667 /nfs/dbraw/zinc/90/16/67/1067901667.db2.gz BKMQWGGVBWDGDW-YLJYHZDGSA-N 1 2 480.587 -0.099 20 0 JBADLO COCC[N@H+]1CCCN(C(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c2ccccc2)CC1 ZINC000520405681 1067901738 /nfs/dbraw/zinc/90/17/38/1067901738.db2.gz XVVLZXGIMMBOKW-GOSISDBHSA-N 1 2 461.606 -0.051 20 0 JBADLO COCC[N@@H+]1CCCN(C(=O)[C@@H](CCS(C)(=O)=O)NS(=O)(=O)c2ccccc2)CC1 ZINC000520405681 1067901734 /nfs/dbraw/zinc/90/17/34/1067901734.db2.gz XVVLZXGIMMBOKW-GOSISDBHSA-N 1 2 461.606 -0.051 20 0 JBADLO COCC[N@H+]1CCCN(C(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c2ccccc2)CC1 ZINC000520405682 1067901754 /nfs/dbraw/zinc/90/17/54/1067901754.db2.gz XVVLZXGIMMBOKW-SFHVURJKSA-N 1 2 461.606 -0.051 20 0 JBADLO COCC[N@@H+]1CCCN(C(=O)[C@H](CCS(C)(=O)=O)NS(=O)(=O)c2ccccc2)CC1 ZINC000520405682 1067901751 /nfs/dbraw/zinc/90/17/51/1067901751.db2.gz XVVLZXGIMMBOKW-SFHVURJKSA-N 1 2 461.606 -0.051 20 0 JBADLO O=C(NCc1cccc(OCC[NH+]2CCOCC2)c1)N1CCN(S(=O)(=O)N2CCOCC2)CC1 ZINC000520471210 1067902837 /nfs/dbraw/zinc/90/28/37/1067902837.db2.gz VWBRFADFSZATBS-UHFFFAOYSA-N 1 2 497.618 -0.198 20 0 JBADLO O=C(NCc1cccc(OCC[NH+]2CCOCC2)c1)C(=O)Nc1ccc(N2CCNC(=O)C2)nc1 ZINC000520486157 1067903354 /nfs/dbraw/zinc/90/33/54/1067903354.db2.gz VDUVAERSHVQIPI-UHFFFAOYSA-N 1 2 482.541 -0.016 20 0 JBADLO COCCNS(=O)(=O)c1ccc(CNC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000520511282 1067904411 /nfs/dbraw/zinc/90/44/11/1067904411.db2.gz OQLIRIAAQWYGCC-GOSISDBHSA-N 1 2 468.576 -0.592 20 0 JBADLO COCCNS(=O)(=O)c1ccc(CNC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000520511283 1067904509 /nfs/dbraw/zinc/90/45/09/1067904509.db2.gz OQLIRIAAQWYGCC-SFHVURJKSA-N 1 2 468.576 -0.592 20 0 JBADLO O=C(c1ccc2c(c1)OCO2)N1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000520512956 1067904459 /nfs/dbraw/zinc/90/44/59/1067904459.db2.gz VGODUSNXYNMGSN-GOSISDBHSA-N 1 2 458.515 -0.120 20 0 JBADLO O=C(c1ccc2c(c1)OCO2)N1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000520512957 1067904365 /nfs/dbraw/zinc/90/43/65/1067904365.db2.gz VGODUSNXYNMGSN-SFHVURJKSA-N 1 2 458.515 -0.120 20 0 JBADLO NS(=O)(=O)c1ccc(N2CCN(C(=O)[C@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)CC2)cc1 ZINC000520515091 1067904377 /nfs/dbraw/zinc/90/43/77/1067904377.db2.gz GXHKGVBJCHKFQE-KRWDZBQOSA-N 1 2 465.576 -0.837 20 0 JBADLO NS(=O)(=O)c1ccc(N2CCN(C(=O)[C@@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)CC2)cc1 ZINC000520515092 1067904322 /nfs/dbraw/zinc/90/43/22/1067904322.db2.gz GXHKGVBJCHKFQE-QGZVFWFLSA-N 1 2 465.576 -0.837 20 0 JBADLO NC(=O)C1CCN(c2ncccc2CNC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000520530515 1067904928 /nfs/dbraw/zinc/90/49/28/1067904928.db2.gz BJDFFAGYBLXCCU-IBGZPJMESA-N 1 2 458.563 -0.420 20 0 JBADLO NC(=O)C1CCN(c2ncccc2CNC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000520530516 1067904971 /nfs/dbraw/zinc/90/49/71/1067904971.db2.gz BJDFFAGYBLXCCU-LJQANCHMSA-N 1 2 458.563 -0.420 20 0 JBADLO C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000520609431 1067905360 /nfs/dbraw/zinc/90/53/60/1067905360.db2.gz JUUQKFOBLFNJJY-CVEARBPZSA-N 1 2 489.620 -0.541 20 0 JBADLO C[C@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1)[C@H](C)[NH+]1CCOCC1 ZINC000520609436 1067905386 /nfs/dbraw/zinc/90/53/86/1067905386.db2.gz JUUQKFOBLFNJJY-HOTGVXAUSA-N 1 2 489.620 -0.541 20 0 JBADLO C[C@@H](NC(=O)N1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1)[C@@H](C)[NH+]1CCOCC1 ZINC000520609438 1067905337 /nfs/dbraw/zinc/90/53/37/1067905337.db2.gz JUUQKFOBLFNJJY-HZPDHXFCSA-N 1 2 489.620 -0.541 20 0 JBADLO C[C@H]([C@H](C)NC(=O)N1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1)[NH+]1CCOCC1 ZINC000520609440 1067905313 /nfs/dbraw/zinc/90/53/13/1067905313.db2.gz JUUQKFOBLFNJJY-JKSUJKDBSA-N 1 2 489.620 -0.541 20 0 JBADLO CCOc1ccc(OC)cc1NC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000520648332 1067906178 /nfs/dbraw/zinc/90/61/78/1067906178.db2.gz UNAQHKXNSJYTOE-UHFFFAOYSA-N 1 2 469.564 -0.331 20 0 JBADLO C[C@H](c1cccc(NC(=O)C(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)c1)[NH+]1CCOCC1 ZINC000520655124 1067906211 /nfs/dbraw/zinc/90/62/11/1067906211.db2.gz TWHXIOSDBDELIJ-GOSISDBHSA-N 1 2 487.557 -0.452 20 0 JBADLO C[C@@H](c1cccc(NC(=O)C(=O)N2CCN(C(=O)C(=O)N3CCOCC3)CC2)c1)[NH+]1CCOCC1 ZINC000520655127 1067906153 /nfs/dbraw/zinc/90/61/53/1067906153.db2.gz TWHXIOSDBDELIJ-SFHVURJKSA-N 1 2 487.557 -0.452 20 0 JBADLO O=C(Nc1ccc(S(=O)(=O)N[C@H]2CCS(=O)(=O)C2)cc1)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000520906027 1067913744 /nfs/dbraw/zinc/91/37/44/1067913744.db2.gz CCASAZUNKALCIJ-HNNXBMFYSA-N 1 2 470.573 -0.603 20 0 JBADLO O=C(Nc1ccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)cc1)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000520906032 1067913809 /nfs/dbraw/zinc/91/38/09/1067913809.db2.gz CCASAZUNKALCIJ-OAHLLOKOSA-N 1 2 470.573 -0.603 20 0 JBADLO Cn1c2ncn(CC(=O)NCc3ccccc3OCC[NH+]3CCOCC3)c2c(=O)n(C)c1=O ZINC000521039120 1067916103 /nfs/dbraw/zinc/91/61/03/1067916103.db2.gz JLLAXZULNJQQHR-UHFFFAOYSA-N 1 2 456.503 -0.539 20 0 JBADLO O=C([C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000521176039 1068080478 /nfs/dbraw/zinc/08/04/78/1068080478.db2.gz OZAPKHPUVQVRDK-KRWDZBQOSA-N 1 2 451.549 -0.905 20 0 JBADLO O=C([C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000521176040 1068080615 /nfs/dbraw/zinc/08/06/15/1068080615.db2.gz OZAPKHPUVQVRDK-QGZVFWFLSA-N 1 2 451.549 -0.905 20 0 JBADLO COc1ccc(NC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1S(=O)(=O)N1CCOCC1 ZINC000521176667 1067917828 /nfs/dbraw/zinc/91/78/28/1067917828.db2.gz CLHQQCVVYBMWQH-KRWDZBQOSA-N 1 2 496.586 -0.165 20 0 JBADLO COc1ccc(NC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1S(=O)(=O)N1CCOCC1 ZINC000521176668 1067917892 /nfs/dbraw/zinc/91/78/92/1067917892.db2.gz CLHQQCVVYBMWQH-QGZVFWFLSA-N 1 2 496.586 -0.165 20 0 JBADLO O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000521177041 1067917988 /nfs/dbraw/zinc/91/79/88/1067917988.db2.gz YTPYOYNDLDFMEU-IBGZPJMESA-N 1 2 480.587 -0.496 20 0 JBADLO O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)cc1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000521177042 1067917930 /nfs/dbraw/zinc/91/79/30/1067917930.db2.gz YTPYOYNDLDFMEU-LJQANCHMSA-N 1 2 480.587 -0.496 20 0 JBADLO CC(=O)Nc1cc(NC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)ccc1Cl ZINC000521283071 1067918719 /nfs/dbraw/zinc/91/87/19/1067918719.db2.gz BENBBEGNGYECSD-UHFFFAOYSA-N 1 2 486.982 -0.127 20 0 JBADLO COc1ccc(Cl)c(NC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000521283320 1067918683 /nfs/dbraw/zinc/91/86/83/1067918683.db2.gz NYCOZXSPCAWJRK-UHFFFAOYSA-N 1 2 459.956 -0.077 20 0 JBADLO Cn1cnc2c1c(=O)n(CC(=O)NCc1cccc(OCC[NH+]3CCOCC3)c1)c(=O)n2C ZINC000521328077 1067919129 /nfs/dbraw/zinc/91/91/29/1067919129.db2.gz MEZFKGVRPDLRJO-UHFFFAOYSA-N 1 2 456.503 -0.539 20 0 JBADLO CCN1CCN(C(=O)CC2CC[NH+](CC(=O)N3CCN(CC(=O)N4CCOCC4)CC3)CC2)CC1 ZINC000521331263 1067919533 /nfs/dbraw/zinc/91/95/33/1067919533.db2.gz YKQBTDUQUVNJDV-UHFFFAOYSA-N 1 2 492.665 -0.744 20 0 JBADLO O=C(Cn1cnnn1)N1CCN(C(=O)NCc2cccc(OCC[NH+]3CCOCC3)c2)CC1 ZINC000521333318 1067919640 /nfs/dbraw/zinc/91/96/40/1067919640.db2.gz FNLKVUJNAJMPIY-UHFFFAOYSA-N 1 2 458.523 -0.562 20 0 JBADLO CO[C@@H](C)C(=O)Nc1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000521335416 1067919550 /nfs/dbraw/zinc/91/95/50/1067919550.db2.gz ROLXFFJFHLUZKZ-INIZCTEOSA-N 1 2 496.590 -0.765 20 0 JBADLO CO[C@H](C)C(=O)Nc1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000521335417 1067919645 /nfs/dbraw/zinc/91/96/45/1067919645.db2.gz ROLXFFJFHLUZKZ-MRXNPFEDSA-N 1 2 496.590 -0.765 20 0 JBADLO O=C(CN1CCN(C(=O)C[N@@H+]2CCCN(C(=O)c3ccccc3F)CC2)CC1)N1CCOCC1 ZINC000521430895 1068333273 /nfs/dbraw/zinc/33/32/73/1068333273.db2.gz LCALTUPVUGOKGJ-UHFFFAOYSA-N 1 2 475.565 -0.023 20 0 JBADLO O=C(CN1CCN(C(=O)C[N@H+]2CCCN(C(=O)c3ccccc3F)CC2)CC1)N1CCOCC1 ZINC000521430895 1068333262 /nfs/dbraw/zinc/33/32/62/1068333262.db2.gz LCALTUPVUGOKGJ-UHFFFAOYSA-N 1 2 475.565 -0.023 20 0 JBADLO C[C@@H]1C[C@H](C)CN(C(=O)CN2CCN(C(=O)[C@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)CC2)C1 ZINC000521444771 1067920721 /nfs/dbraw/zinc/92/07/21/1067920721.db2.gz UMOOYJHPKRBTFF-HBMCJLEFSA-N 1 2 463.623 -0.184 20 0 JBADLO C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCN(C(=O)[C@@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)CC2)C1 ZINC000521444772 1067920748 /nfs/dbraw/zinc/92/07/48/1067920748.db2.gz UMOOYJHPKRBTFF-NJDAHSKKSA-N 1 2 463.623 -0.184 20 0 JBADLO C[C@@H]1C[C@@H](C)CN(C(=O)CN2CCN(C(=O)[C@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)CC2)C1 ZINC000521444773 1067920789 /nfs/dbraw/zinc/92/07/89/1067920789.db2.gz UMOOYJHPKRBTFF-NJYVYQBISA-N 1 2 463.623 -0.184 20 0 JBADLO C[C@@H]1C[C@H](C)CN(C(=O)CN2CCN(C(=O)[C@@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)CC2)C1 ZINC000521444774 1067920819 /nfs/dbraw/zinc/92/08/19/1067920819.db2.gz UMOOYJHPKRBTFF-QHAWAJNXSA-N 1 2 463.623 -0.184 20 0 JBADLO O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000521459781 1067920797 /nfs/dbraw/zinc/92/07/97/1067920797.db2.gz NNBKYERBNKQITR-KRWDZBQOSA-N 1 2 466.560 -0.173 20 0 JBADLO O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000521459782 1067920767 /nfs/dbraw/zinc/92/07/67/1067920767.db2.gz NNBKYERBNKQITR-QGZVFWFLSA-N 1 2 466.560 -0.173 20 0 JBADLO O=C(CN1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1)N1CCc2ccccc21 ZINC000521476239 1067921369 /nfs/dbraw/zinc/92/13/69/1067921369.db2.gz QRLISUOQTIWIPX-NRFANRHFSA-N 1 2 469.586 -0.099 20 0 JBADLO O=C(CN1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1)N1CCc2ccccc21 ZINC000521476240 1067952423 /nfs/dbraw/zinc/95/24/23/1067952423.db2.gz QRLISUOQTIWIPX-OAQYLSRUSA-N 1 2 469.586 -0.099 20 0 JBADLO CCOC(=O)[C@@H]1CCCN(C(=O)CN(C)C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000521492512 1067921433 /nfs/dbraw/zinc/92/14/33/1067921433.db2.gz RWHRXXNIRZJCEH-MSOLQXFVSA-N 1 2 452.552 -0.573 20 0 JBADLO CCOC(=O)[C@@H]1CCCN(C(=O)CN(C)C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000521492513 1067921331 /nfs/dbraw/zinc/92/13/31/1067921331.db2.gz RWHRXXNIRZJCEH-QZTJIDSGSA-N 1 2 452.552 -0.573 20 0 JBADLO CCOC(=O)[C@H]1CCCN(C(=O)CN(C)C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000521492514 1067921326 /nfs/dbraw/zinc/92/13/26/1067921326.db2.gz RWHRXXNIRZJCEH-ROUUACIJSA-N 1 2 452.552 -0.573 20 0 JBADLO CCOC(=O)[C@H]1CCCN(C(=O)CN(C)C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC000521492515 1067921452 /nfs/dbraw/zinc/92/14/52/1067921452.db2.gz RWHRXXNIRZJCEH-ZWKOTPCHSA-N 1 2 452.552 -0.573 20 0 JBADLO Cn1cnc2c1c(=O)n(CC(=O)NCc1ccccc1OCC[NH+]1CCOCC1)c(=O)n2C ZINC000521578584 1067922596 /nfs/dbraw/zinc/92/25/96/1067922596.db2.gz PACUNRMFCHLVQB-UHFFFAOYSA-N 1 2 456.503 -0.539 20 0 JBADLO O=C(NCc1ccccc1OCC[NH+]1CCOCC1)C(=O)Nc1ccc(N2CCNC(=O)C2)nc1 ZINC000521619333 1067922638 /nfs/dbraw/zinc/92/26/38/1067922638.db2.gz MWZFSUIETVSENC-UHFFFAOYSA-N 1 2 482.541 -0.016 20 0 JBADLO Cn1c(=O)c2cc(NC(=O)C(=O)NCc3ccccc3OCC[NH+]3CCOCC3)cnc2n(C)c1=O ZINC000521622229 1067922613 /nfs/dbraw/zinc/92/26/13/1067922613.db2.gz RZKQPZAPPIDWNE-UHFFFAOYSA-N 1 2 496.524 -0.402 20 0 JBADLO O=C(CCNC(=O)NCc1ccccc1OCC[NH+]1CCOCC1)N[C@@H]1CCS(=O)(=O)C1 ZINC000521641121 1067923014 /nfs/dbraw/zinc/92/30/14/1067923014.db2.gz IFOVJUPOVUIOHA-GOSISDBHSA-N 1 2 468.576 -0.110 20 0 JBADLO O=C(CCNC(=O)NCc1ccccc1OCC[NH+]1CCOCC1)N[C@H]1CCS(=O)(=O)C1 ZINC000521641122 1067922983 /nfs/dbraw/zinc/92/29/83/1067922983.db2.gz IFOVJUPOVUIOHA-SFHVURJKSA-N 1 2 468.576 -0.110 20 0 JBADLO COC(=O)c1ccc(S(=O)(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)o1 ZINC000521664787 1067923002 /nfs/dbraw/zinc/92/30/02/1067923002.db2.gz BLIUSOYMLAGWKK-UHFFFAOYSA-N 1 2 458.518 -0.109 20 0 JBADLO CC(=O)N1CCN(C(=O)CCNC(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000521706449 1067923331 /nfs/dbraw/zinc/92/33/31/1067923331.db2.gz XYYCXTMFEHQIDQ-UHFFFAOYSA-N 1 2 459.551 -0.500 20 0 JBADLO Cc1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cc1C(=O)NC(C)C ZINC000521780355 1067924181 /nfs/dbraw/zinc/92/41/81/1067924181.db2.gz MIGUMTDUYCVJIS-UHFFFAOYSA-N 1 2 494.618 -0.292 20 0 JBADLO NS(=O)(=O)c1ccc(N2CCOCC2)c(C(=O)Nc2ccn(CC[NH+]3CCOCC3)n2)c1 ZINC000521788623 1068430849 /nfs/dbraw/zinc/43/08/49/1068430849.db2.gz HQFRCPUPDOSCNO-UHFFFAOYSA-N 1 2 464.548 -0.048 20 0 JBADLO O=C(Nc1ccn(CC[NH+]2CCOCC2)n1)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 ZINC000521790405 1067924598 /nfs/dbraw/zinc/92/45/98/1067924598.db2.gz PHCPLBHWSMWFQT-UHFFFAOYSA-N 1 2 462.532 -0.412 20 0 JBADLO CN(C1CCCCC1)S(=O)(=O)N1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000521795022 1067924059 /nfs/dbraw/zinc/92/40/59/1067924059.db2.gz CNWRYXMUDBPZFL-IBGZPJMESA-N 1 2 485.651 -0.179 20 0 JBADLO CN(C1CCCCC1)S(=O)(=O)N1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000521795023 1067924204 /nfs/dbraw/zinc/92/42/04/1067924204.db2.gz CNWRYXMUDBPZFL-LJQANCHMSA-N 1 2 485.651 -0.179 20 0 JBADLO O=C(CCc1nc(-c2nc[nH]n2)no1)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000522128634 1067925422 /nfs/dbraw/zinc/92/54/22/1067925422.db2.gz UJLVJKURLOVZFS-UHFFFAOYSA-N 1 2 461.508 -0.550 20 0 JBADLO C[C@@H](C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)N1C(=O)NC2(CCCC2)C1=O ZINC000522531698 1067929245 /nfs/dbraw/zinc/92/92/45/1067929245.db2.gz OYPFYYYAUSOJPM-INIZCTEOSA-N 1 2 478.575 -0.097 20 0 JBADLO C[C@H](C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)N1C(=O)NC2(CCCC2)C1=O ZINC000522531699 1067929142 /nfs/dbraw/zinc/92/91/42/1067929142.db2.gz OYPFYYYAUSOJPM-MRXNPFEDSA-N 1 2 478.575 -0.097 20 0 JBADLO O=C(Cn1cc(Br)c(=O)[nH]c1=O)NCCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000522733453 1067929825 /nfs/dbraw/zinc/92/98/25/1067929825.db2.gz NMEOQONLQPQLFA-UHFFFAOYSA-N 1 2 465.308 -0.039 20 0 JBADLO O=C(CCNC(=O)[C@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000522734020 1067930011 /nfs/dbraw/zinc/93/00/11/1067930011.db2.gz HPJCUCZINDYNLJ-DLBZAZTESA-N 1 2 463.560 -0.728 20 0 JBADLO O=C(CCNC(=O)[C@@H]1CC(=O)N([C@@H]2CCS(=O)(=O)C2)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000522734021 1067929873 /nfs/dbraw/zinc/92/98/73/1067929873.db2.gz HPJCUCZINDYNLJ-IAGOWNOFSA-N 1 2 463.560 -0.728 20 0 JBADLO O=C(CCNC(=O)[C@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000522734022 1067929804 /nfs/dbraw/zinc/92/98/04/1067929804.db2.gz HPJCUCZINDYNLJ-IRXDYDNUSA-N 1 2 463.560 -0.728 20 0 JBADLO O=C(CCNC(=O)[C@@H]1CC(=O)N([C@H]2CCS(=O)(=O)C2)C1)N1CCN(c2cccc[nH+]2)CC1 ZINC000522734023 1067929955 /nfs/dbraw/zinc/92/99/55/1067929955.db2.gz HPJCUCZINDYNLJ-SJORKVTESA-N 1 2 463.560 -0.728 20 0 JBADLO Cn1c(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)cc2c1n(C)c(=O)n(C)c2=O ZINC000522734027 1067929976 /nfs/dbraw/zinc/92/99/76/1067929976.db2.gz IPINMSNPCUEUSB-UHFFFAOYSA-N 1 2 453.503 -0.561 20 0 JBADLO NS(=O)(=O)Cc1cccc(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)c1 ZINC000522883879 1067930358 /nfs/dbraw/zinc/93/03/58/1067930358.db2.gz WZOUSRBMICAJQG-UHFFFAOYSA-N 1 2 467.573 -0.248 20 0 JBADLO CC1(C)C[N@@H+](CCNC(=O)N2CCN(S(=O)(=O)c3ccc(S(N)(=O)=O)cc3)CC2)CCO1 ZINC000523218357 1067935157 /nfs/dbraw/zinc/93/51/57/1067935157.db2.gz CLDADXKHDIYELF-UHFFFAOYSA-N 1 2 489.620 -0.539 20 0 JBADLO CC1(C)C[N@H+](CCNC(=O)N2CCN(S(=O)(=O)c3ccc(S(N)(=O)=O)cc3)CC2)CCO1 ZINC000523218357 1067935156 /nfs/dbraw/zinc/93/51/56/1067935156.db2.gz CLDADXKHDIYELF-UHFFFAOYSA-N 1 2 489.620 -0.539 20 0 JBADLO COc1ccc(CN2C[C@@H](C(=O)N3CCN(S(=O)(=O)N4CC[NH+](C)CC4)CC3)CC2=O)cc1 ZINC000523288969 1067935923 /nfs/dbraw/zinc/93/59/23/1067935923.db2.gz SELHUMXCTPDTSB-IBGZPJMESA-N 1 2 479.603 -0.320 20 0 JBADLO COc1ccc(CN2C[C@H](C(=O)N3CCN(S(=O)(=O)N4CC[NH+](C)CC4)CC3)CC2=O)cc1 ZINC000523288970 1067935948 /nfs/dbraw/zinc/93/59/48/1067935948.db2.gz SELHUMXCTPDTSB-LJQANCHMSA-N 1 2 479.603 -0.320 20 0 JBADLO 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CCN1CCN(CC(=O)NCCc2ccc(OCC[NH+]3CCN(C(C)=O)CC3)cc2)C(=O)C1=O ZINC000590282838 1068021887 /nfs/dbraw/zinc/02/18/87/1068021887.db2.gz OWRRWMVENGFBGV-UHFFFAOYSA-N 1 2 473.574 -0.421 20 0 JBADLO CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)CN3CCCS3(=O)=O)cc2)CC1 ZINC000590282936 1067708359 /nfs/dbraw/zinc/70/83/59/1067708359.db2.gz PQFMNLGYCGNBCV-UHFFFAOYSA-N 1 2 452.577 -0.076 20 0 JBADLO CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)CNS(=O)(=O)c3cnn(C)c3)cc2)CC1 ZINC000590283510 1068022210 /nfs/dbraw/zinc/02/22/10/1068022210.db2.gz HXWIZTYEBDQAOX-UHFFFAOYSA-N 1 2 492.602 -0.400 20 0 JBADLO CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)Cn3ccc(=O)n(C)c3=O)cc2)CC1 ZINC000590283836 1068021951 /nfs/dbraw/zinc/02/19/51/1068021951.db2.gz NLIKWZRBSHTDBO-UHFFFAOYSA-N 1 2 457.531 -0.551 20 0 JBADLO CC(=O)N1CC[NH+](CCOc2ccc(CCNS(=O)(=O)c3cn(C)c(=O)n(C)c3=O)cc2)CC1 ZINC000590299841 1068022176 /nfs/dbraw/zinc/02/21/76/1068022176.db2.gz VHTCQJNWGWOMKA-UHFFFAOYSA-N 1 2 493.586 -0.852 20 0 JBADLO COc1ccccc1C[NH+]1CCN(CC(=O)N2CCN(CC(=O)N3CCOCC3)CC2)CC1 ZINC000590322488 1068022267 /nfs/dbraw/zinc/02/22/67/1068022267.db2.gz APHUAZFRVSVDTG-UHFFFAOYSA-N 1 2 459.591 -0.184 20 0 JBADLO CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)NCCNS(C)(=O)=O)cc2)CC1 ZINC000590343290 1067710013 /nfs/dbraw/zinc/71/00/13/1067710013.db2.gz CZMDPGWWAYDMAO-UHFFFAOYSA-N 1 2 455.581 -0.380 20 0 JBADLO COCCOc1ncccc1NC(=O)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000590365795 1068021920 /nfs/dbraw/zinc/02/19/20/1068021920.db2.gz SADFNQSTTRQICR-UHFFFAOYSA-N 1 2 492.558 -0.292 20 0 JBADLO CC(=O)N1CCN(CCNc2nc3ccccc3c(NCC[NH+]3CCN(C(C)=O)CC3)n2)CC1 ZINC000590491833 1068022583 /nfs/dbraw/zinc/02/25/83/1068022583.db2.gz FTIQLJDDVHHYEQ-UHFFFAOYSA-N 1 2 468.606 -0.374 20 0 JBADLO O=S1(=O)CCCN1CCNc1nc(NCCN2CCCS2(=O)=O)c2ccccc2[nH+]1 ZINC000590492734 1068022728 /nfs/dbraw/zinc/02/27/28/1068022728.db2.gz FOEVEGROZDEIIC-UHFFFAOYSA-N 1 2 454.578 -0.632 20 0 JBADLO O=C(NCCNc1nc(NCCNC(=O)c2cnccn2)c2ccccc2[nH+]1)c1cnccn1 ZINC000590492834 1068022637 /nfs/dbraw/zinc/02/26/37/1068022637.db2.gz KUKFUEWSHJQBNA-UHFFFAOYSA-N 1 2 458.486 -0.263 20 0 JBADLO Nc1nc(CN2CCN(C(=O)[C@@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)CC2)nc2ccccc12 ZINC000590498800 1068022460 /nfs/dbraw/zinc/02/24/60/1068022460.db2.gz HPMBZFDEGBIXST-GOSISDBHSA-N 1 2 467.574 0.037 20 0 JBADLO Nc1nc(CN2CCN(C(=O)[C@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)CC2)nc2ccccc12 ZINC000590498803 1068433586 /nfs/dbraw/zinc/43/35/86/1068433586.db2.gz HPMBZFDEGBIXST-SFHVURJKSA-N 1 2 467.574 0.037 20 0 JBADLO COc1cccc2c1OC[C@@H](NC(=O)N1CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC1)C2 ZINC000590641300 1068024313 /nfs/dbraw/zinc/02/43/13/1068024313.db2.gz GEDKEQLMGJACMY-KRWDZBQOSA-N 1 2 453.565 -0.182 20 0 JBADLO COc1cccc2c1OC[C@H](NC(=O)N1CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC1)C2 ZINC000590641301 1068024618 /nfs/dbraw/zinc/02/46/18/1068024618.db2.gz GEDKEQLMGJACMY-QGZVFWFLSA-N 1 2 453.565 -0.182 20 0 JBADLO Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)Nc1cnn(CC[NH+]2CCOCC2)c1 ZINC000590724116 1068026360 /nfs/dbraw/zinc/02/63/60/1068026360.db2.gz PHGSJLUYMGABPM-UHFFFAOYSA-N 1 2 452.537 -0.173 20 0 JBADLO NS(=O)(=O)c1ccc(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)s1 ZINC000591136006 1068029681 /nfs/dbraw/zinc/02/96/81/1068029681.db2.gz PKPVGVSWSULBDN-UHFFFAOYSA-N 1 2 459.575 -0.328 20 0 JBADLO O=C(CCN1C(=O)CNC1=O)Nc1ccc(NC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000591139434 1068029540 /nfs/dbraw/zinc/02/95/40/1068029540.db2.gz UFAMUBGHRXMVIK-INIZCTEOSA-N 1 2 486.529 -0.314 20 0 JBADLO O=C(CCN1C(=O)CNC1=O)Nc1ccc(NC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC000591139435 1068029730 /nfs/dbraw/zinc/02/97/30/1068029730.db2.gz UFAMUBGHRXMVIK-MRXNPFEDSA-N 1 2 486.529 -0.314 20 0 JBADLO O=C(Cn1cnc(NC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)n1)NCc1ccccc1 ZINC000591178003 1068029997 /nfs/dbraw/zinc/02/99/97/1068029997.db2.gz BXGCTEXEJAOZRZ-GOSISDBHSA-N 1 2 455.519 -0.286 20 0 JBADLO O=C(Cn1cnc(NC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)n1)NCc1ccccc1 ZINC000591178004 1068030101 /nfs/dbraw/zinc/03/01/01/1068030101.db2.gz BXGCTEXEJAOZRZ-SFHVURJKSA-N 1 2 455.519 -0.286 20 0 JBADLO COCCn1cnc2c1c(=O)n(CC(=O)NCC[N@H+]1CCOC[C@H]1C)c(=O)n2Cc1ccccc1 ZINC000591226266 1068030820 /nfs/dbraw/zinc/03/08/20/1068030820.db2.gz TYJXZHPEKQRXPN-GOSISDBHSA-N 1 2 484.557 -0.109 20 0 JBADLO COCCn1cnc2c1c(=O)n(CC(=O)NCC[N@@H+]1CCOC[C@H]1C)c(=O)n2Cc1ccccc1 ZINC000591226266 1068030805 /nfs/dbraw/zinc/03/08/05/1068030805.db2.gz TYJXZHPEKQRXPN-GOSISDBHSA-N 1 2 484.557 -0.109 20 0 JBADLO COCCn1cnc2c1c(=O)n(CC(=O)NCC[N@H+]1CCOC[C@@H]1C)c(=O)n2Cc1ccccc1 ZINC000591226267 1068030610 /nfs/dbraw/zinc/03/06/10/1068030610.db2.gz TYJXZHPEKQRXPN-SFHVURJKSA-N 1 2 484.557 -0.109 20 0 JBADLO COCCn1cnc2c1c(=O)n(CC(=O)NCC[N@@H+]1CCOC[C@@H]1C)c(=O)n2Cc1ccccc1 ZINC000591226267 1068030593 /nfs/dbraw/zinc/03/05/93/1068030593.db2.gz TYJXZHPEKQRXPN-SFHVURJKSA-N 1 2 484.557 -0.109 20 0 JBADLO C[N@@H+](CCCS(N)(=O)=O)CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC000591372815 1068031455 /nfs/dbraw/zinc/03/14/55/1068031455.db2.gz MXLFTSHATMFPMH-UHFFFAOYSA-N 1 2 468.985 -0.090 20 0 JBADLO C[N@H+](CCCS(N)(=O)=O)CC(=O)Nc1ccc(Cl)c(S(=O)(=O)N2CCOCC2)c1 ZINC000591372815 1068031442 /nfs/dbraw/zinc/03/14/42/1068031442.db2.gz MXLFTSHATMFPMH-UHFFFAOYSA-N 1 2 468.985 -0.090 20 0 JBADLO CC[C@H](Nc1nnnn1-c1ccccc1)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000591432867 1068031221 /nfs/dbraw/zinc/03/12/21/1068031221.db2.gz ZZZTXGKUOQMSTH-IBGZPJMESA-N 1 2 499.601 -0.062 20 0 JBADLO CC[C@@H](Nc1nnnn1-c1ccccc1)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000591432872 1068031406 /nfs/dbraw/zinc/03/14/06/1068031406.db2.gz ZZZTXGKUOQMSTH-LJQANCHMSA-N 1 2 499.601 -0.062 20 0 JBADLO Cc1cc(N2CCN(C(=O)CN3CCN(C(=O)CN4C(=O)CCC4=O)CC3)CC2)nc(C(C)C)[nH+]1 ZINC000591471689 1068032387 /nfs/dbraw/zinc/03/23/87/1068032387.db2.gz BOJAHGJEQRQIBY-UHFFFAOYSA-N 1 2 485.589 -0.150 20 0 JBADLO O=C(CN1C(=O)CCC1=O)N1CC[NH+](CCOc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 ZINC000591471795 1068031721 /nfs/dbraw/zinc/03/17/21/1068031721.db2.gz HNDHACYHAWTFMR-UHFFFAOYSA-N 1 2 494.570 -0.621 20 0 JBADLO O=C(CN1C(=O)CCC1=O)N1CCN(C(=O)NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000591541348 1068032474 /nfs/dbraw/zinc/03/24/74/1068032474.db2.gz ZYBGMEMSPOSWON-IBGZPJMESA-N 1 2 457.531 -0.110 20 0 JBADLO O=C(CN1C(=O)CCC1=O)N1CCN(C(=O)NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000591541348 1068032459 /nfs/dbraw/zinc/03/24/59/1068032459.db2.gz ZYBGMEMSPOSWON-IBGZPJMESA-N 1 2 457.531 -0.110 20 0 JBADLO O=C(CN1C(=O)CCC1=O)N1CCN(C(=O)NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)CC1 ZINC000591541349 1068032208 /nfs/dbraw/zinc/03/22/08/1068032208.db2.gz ZYBGMEMSPOSWON-LJQANCHMSA-N 1 2 457.531 -0.110 20 0 JBADLO O=C(CN1C(=O)CCC1=O)N1CCN(C(=O)NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)CC1 ZINC000591541349 1068032189 /nfs/dbraw/zinc/03/21/89/1068032189.db2.gz ZYBGMEMSPOSWON-LJQANCHMSA-N 1 2 457.531 -0.110 20 0 JBADLO O=C(CCNC(=O)N1CCN(C(=O)CN2C(=O)CCC2=O)CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000591583402 1068032835 /nfs/dbraw/zinc/03/28/35/1068032835.db2.gz FONKPHIBBBANSB-UHFFFAOYSA-N 1 2 485.545 -0.877 20 0 JBADLO CC[NH+](CC)CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc(S(N)(=O)=O)c1 ZINC000591586276 1068033571 /nfs/dbraw/zinc/03/35/71/1068033571.db2.gz HYNSPBQEDHJFGL-AWEZNQCLSA-N 1 2 453.608 -0.146 20 0 JBADLO CC[NH+](CC)CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1cccc(S(N)(=O)=O)c1 ZINC000591586278 1068033405 /nfs/dbraw/zinc/03/34/05/1068033405.db2.gz HYNSPBQEDHJFGL-CQSZACIVSA-N 1 2 453.608 -0.146 20 0 JBADLO C[C@@H](NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)c1nnc2n1CCCCC2 ZINC000591605108 1068033289 /nfs/dbraw/zinc/03/32/89/1068033289.db2.gz LLQSSWSMNBKDBB-MRXNPFEDSA-N 1 2 454.601 -0.115 20 0 JBADLO C[C@@H](c1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)N(C)C)CC2)c1)[NH+]1CCOCC1 ZINC000591740468 1068034380 /nfs/dbraw/zinc/03/43/80/1068034380.db2.gz GKNQNGGLAAPUCN-INIZCTEOSA-N 1 2 453.565 -0.031 20 0 JBADLO C[C@H](c1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)N(C)C)CC2)c1)[NH+]1CCOCC1 ZINC000591740469 1068034291 /nfs/dbraw/zinc/03/42/91/1068034291.db2.gz GKNQNGGLAAPUCN-MRXNPFEDSA-N 1 2 453.565 -0.031 20 0 JBADLO CNC(=O)COc1ccc(NC(=O)C(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)cc1 ZINC000591741274 1068034510 /nfs/dbraw/zinc/03/45/10/1068034510.db2.gz FXUMIKLMOWRFEX-UHFFFAOYSA-N 1 2 452.475 -0.225 20 0 JBADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)NCCS(=O)(=O)N2CCSCC2)CC1 ZINC000593574848 1068037109 /nfs/dbraw/zinc/03/71/09/1068037109.db2.gz LANODWHJJFTVTH-UHFFFAOYSA-N 1 2 483.616 -0.493 20 0 JBADLO CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)NCCC(=O)N3CCN(C(C)=O)CC3)cc2)CC1 ZINC000594346677 1068039139 /nfs/dbraw/zinc/03/91/39/1068039139.db2.gz KOTHZWAHZRDVNI-UHFFFAOYSA-N 1 2 472.590 -0.040 20 0 JBADLO O=C(COCC(=O)NCc1cccnc1)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000595396372 1068041494 /nfs/dbraw/zinc/04/14/94/1068041494.db2.gz AKDLHFXSTFHUTE-UHFFFAOYSA-N 1 2 476.559 -0.622 20 0 JBADLO O=C(NCCN1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1)c1ccccc1F ZINC000595497672 1068041575 /nfs/dbraw/zinc/04/15/75/1068041575.db2.gz 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O=C(CCCS(=O)(=O)N1CCCC1)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000614461251 1067749964 /nfs/dbraw/zinc/74/99/64/1067749964.db2.gz XRHZBJHAEXFHAN-UHFFFAOYSA-N 1 2 473.621 -0.145 20 0 JBADLO COc1ccc(CNC(C)=O)cc1S(=O)(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000614605662 1067905279 /nfs/dbraw/zinc/90/52/79/1067905279.db2.gz DSYDUHROEGTEAR-UHFFFAOYSA-N 1 2 489.620 -0.870 20 0 JBADLO CC(=O)NCCc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC000614605667 1067905395 /nfs/dbraw/zinc/90/53/95/1067905395.db2.gz FSQWHPQQQUYYPB-UHFFFAOYSA-N 1 2 473.621 -0.836 20 0 JBADLO CNC(=O)C[NH+]1CCC(NS(=O)(=O)c2ccc(OC)c([C@]3(C)NC(=O)NC3=O)c2)CC1 ZINC000615209931 1067980418 /nfs/dbraw/zinc/98/04/18/1067980418.db2.gz RKQUOKHXWMEPRW-IBGZPJMESA-N 1 2 453.521 -0.762 20 0 JBADLO CNC(=O)C[NH+]1CCC(NS(=O)(=O)c2ccc(OC)c([C@@]3(C)NC(=O)NC3=O)c2)CC1 ZINC000615209934 1067980255 /nfs/dbraw/zinc/98/02/55/1067980255.db2.gz RKQUOKHXWMEPRW-LJQANCHMSA-N 1 2 453.521 -0.762 20 0 JBADLO CCNC(=O)C[N@H+]1CCCN(C(=O)Cc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)CC1 ZINC000615715340 1068309089 /nfs/dbraw/zinc/30/90/89/1068309089.db2.gz FQOCAMYODAZKPX-UHFFFAOYSA-N 1 2 482.603 -0.071 20 0 JBADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)Cc2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)CC1 ZINC000615715340 1068309069 /nfs/dbraw/zinc/30/90/69/1068309069.db2.gz FQOCAMYODAZKPX-UHFFFAOYSA-N 1 2 482.603 -0.071 20 0 JBADLO CCNC(=O)C[N@H+]1CCCN(C(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)CC1 ZINC000615715637 1068308561 /nfs/dbraw/zinc/30/85/61/1068308561.db2.gz ZWOHNJHXGJOAOI-UHFFFAOYSA-N 1 2 451.549 -0.909 20 0 JBADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)CC1 ZINC000615715637 1068308538 /nfs/dbraw/zinc/30/85/38/1068308538.db2.gz ZWOHNJHXGJOAOI-UHFFFAOYSA-N 1 2 451.549 -0.909 20 0 JBADLO O=C(CNS(=O)(=O)c1ccc2c(c1)OCCCO2)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000615793541 1068308984 /nfs/dbraw/zinc/30/89/84/1068308984.db2.gz BQASZGCNANMISK-UHFFFAOYSA-N 1 2 476.559 -0.145 20 0 JBADLO Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC000615795390 1068309291 /nfs/dbraw/zinc/30/92/91/1068309291.db2.gz TYPOHDXEVWISAV-UHFFFAOYSA-N 1 2 463.564 -0.612 20 0 JBADLO O=C(NCC[NH+]1CCN(c2ncccn2)CC1)c1ccc(S(=O)(=O)N2CCNC(=O)C2)cc1 ZINC000615796028 1068309330 /nfs/dbraw/zinc/30/93/30/1068309330.db2.gz WZPXGRLPUXSMLH-UHFFFAOYSA-N 1 2 473.559 -0.851 20 0 JBADLO COc1c(F)cc(CC(=O)NCC[NH+]2CCN(c3ncccn3)CC2)cc1S(N)(=O)=O ZINC000615799186 1068309169 /nfs/dbraw/zinc/30/91/69/1068309169.db2.gz BZWHTZPMPCKLOH-UHFFFAOYSA-N 1 2 452.512 -0.247 20 0 JBADLO CCN(CCCNC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)S(C)(=O)=O ZINC000615827965 1068396224 /nfs/dbraw/zinc/39/62/24/1068396224.db2.gz DTMRTXCSBBYDCP-UHFFFAOYSA-N 1 2 476.625 -0.496 20 0 JBADLO O=C(NCC[NH+]1CCN(c2ncccn2)CC1)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 ZINC000616066232 1068310651 /nfs/dbraw/zinc/31/06/51/1068310651.db2.gz HNVWXIJYXFHAPC-UHFFFAOYSA-N 1 2 466.546 -0.330 20 0 JBADLO CS(=O)(=O)NC[C@@H]1CCCN(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000616088457 1068310363 /nfs/dbraw/zinc/31/03/63/1068310363.db2.gz RAWZJQUWJCJMAW-KRWDZBQOSA-N 1 2 488.636 -0.496 20 0 JBADLO CS(=O)(=O)NC[C@H]1CCCN(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC000616088462 1068310203 /nfs/dbraw/zinc/31/02/03/1068310203.db2.gz RAWZJQUWJCJMAW-QGZVFWFLSA-N 1 2 488.636 -0.496 20 0 JBADLO O=C(CNC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)NCC(F)(F)F ZINC000616088567 1068310484 /nfs/dbraw/zinc/31/04/84/1068310484.db2.gz VNBRYNOWVJCRNR-UHFFFAOYSA-N 1 2 452.459 -0.489 20 0 JBADLO Cc1cc(NC(=O)CN2CCN(C(=O)NCC[NH+]3CCN(c4ncccn4)CC3)CC2)no1 ZINC000616134624 1068431862 /nfs/dbraw/zinc/43/18/62/1068431862.db2.gz GAHQAIJKFJOYEV-UHFFFAOYSA-N 1 2 457.539 -0.139 20 0 JBADLO NS(=O)(=O)c1ccc(N2CCN(C(=O)NCC[NH+]3CCN(c4ncccn4)CC3)CC2)cc1 ZINC000616134789 1068310415 /nfs/dbraw/zinc/31/04/15/1068310415.db2.gz CRSAECOEFORGBN-UHFFFAOYSA-N 1 2 474.591 -0.222 20 0 JBADLO O=C(NCC[NH+]1CCN(c2ncccn2)CC1)N1CCN(S(=O)(=O)c2cccnc2)CC1 ZINC000616134802 1068310619 /nfs/dbraw/zinc/31/06/19/1068310619.db2.gz CZZFCGAIRSVIGS-UHFFFAOYSA-N 1 2 460.564 -0.290 20 0 JBADLO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)NCC[NH+]2CCN(c3ncccn3)CC2)CC1 ZINC000616134946 1068310284 /nfs/dbraw/zinc/31/02/84/1068310284.db2.gz RPMLSFZENURKOZ-UHFFFAOYSA-N 1 2 478.579 -0.080 20 0 JBADLO C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)NCC[NH+]3CCN(c4ncccn4)CC3)CC2)C[C@H](C)O1 ZINC000616135131 1068310077 /nfs/dbraw/zinc/31/00/77/1068310077.db2.gz SPUHEPQCOCQTIA-KDURUIRLSA-N 1 2 496.638 -0.720 20 0 JBADLO C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)NCC[NH+]3CCN(c4ncccn4)CC3)CC2)C[C@H](C)O1 ZINC000616135136 1068310148 /nfs/dbraw/zinc/31/01/48/1068310148.db2.gz SPUHEPQCOCQTIA-OALUTQOASA-N 1 2 496.638 -0.720 20 0 JBADLO C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)NCC[NH+]3CCN(c4ncccn4)CC3)CC2)C[C@@H](C)O1 ZINC000616135137 1068311206 /nfs/dbraw/zinc/31/12/06/1068311206.db2.gz SPUHEPQCOCQTIA-RTBURBONSA-N 1 2 496.638 -0.720 20 0 JBADLO COc1cc(CNC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)ccc1OCCO ZINC000616136128 1068311052 /nfs/dbraw/zinc/31/10/52/1068311052.db2.gz BIPFKTHMMZDYHO-UHFFFAOYSA-N 1 2 471.580 -0.614 20 0 JBADLO O=C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)C(=O)Nc1ccc(N2CCNC(=O)C2)nc1 ZINC000616204179 1068310904 /nfs/dbraw/zinc/31/09/04/1068310904.db2.gz GEFWOGIDIVEBLH-IBGZPJMESA-N 1 2 452.515 -0.027 20 0 JBADLO O=C(NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)C(=O)Nc1ccc(N2CCNC(=O)C2)nc1 ZINC000616204179 1068310883 /nfs/dbraw/zinc/31/08/83/1068310883.db2.gz GEFWOGIDIVEBLH-IBGZPJMESA-N 1 2 452.515 -0.027 20 0 JBADLO O=C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)C(=O)Nc1ccc(N2CCNC(=O)C2)nc1 ZINC000616204180 1068311009 /nfs/dbraw/zinc/31/10/09/1068311009.db2.gz GEFWOGIDIVEBLH-LJQANCHMSA-N 1 2 452.515 -0.027 20 0 JBADLO O=C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)C(=O)Nc1ccc(N2CCNC(=O)C2)nc1 ZINC000616204180 1068310988 /nfs/dbraw/zinc/31/09/88/1068310988.db2.gz GEFWOGIDIVEBLH-LJQANCHMSA-N 1 2 452.515 -0.027 20 0 JBADLO Cn1c(=O)c2cc(NC(=O)C(=O)NC[C@H]3C[N@@H+](Cc4ccccc4)CCO3)cnc2n(C)c1=O ZINC000616204406 1068312053 /nfs/dbraw/zinc/31/20/53/1068312053.db2.gz LFEXILXSRAPHCO-KRWDZBQOSA-N 1 2 466.498 -0.412 20 0 JBADLO Cn1c(=O)c2cc(NC(=O)C(=O)NC[C@H]3C[N@H+](Cc4ccccc4)CCO3)cnc2n(C)c1=O ZINC000616204406 1068312035 /nfs/dbraw/zinc/31/20/35/1068312035.db2.gz LFEXILXSRAPHCO-KRWDZBQOSA-N 1 2 466.498 -0.412 20 0 JBADLO Cn1c(=O)c2cc(NC(=O)C(=O)NC[C@@H]3C[N@@H+](Cc4ccccc4)CCO3)cnc2n(C)c1=O ZINC000616204407 1068311690 /nfs/dbraw/zinc/31/16/90/1068311690.db2.gz LFEXILXSRAPHCO-QGZVFWFLSA-N 1 2 466.498 -0.412 20 0 JBADLO Cn1c(=O)c2cc(NC(=O)C(=O)NC[C@@H]3C[N@H+](Cc4ccccc4)CCO3)cnc2n(C)c1=O ZINC000616204407 1068311679 /nfs/dbraw/zinc/31/16/79/1068311679.db2.gz LFEXILXSRAPHCO-QGZVFWFLSA-N 1 2 466.498 -0.412 20 0 JBADLO Cn1c(=O)c2cc(NC(=O)C(=O)NCc3ccccc3C[NH+]3CCOCC3)cnc2n(C)c1=O ZINC000616253048 1068311726 /nfs/dbraw/zinc/31/17/26/1068311726.db2.gz OJSUMJZLVXTCNM-UHFFFAOYSA-N 1 2 466.498 -0.281 20 0 JBADLO Cn1c(=O)c2cc(NC(=O)C(=O)NC3CC[NH+](CC(=O)Nc4ccccc4)CC3)cnc2n(C)c1=O ZINC000616306596 1068313151 /nfs/dbraw/zinc/31/31/51/1068313151.db2.gz CATFITBWTXZEDU-UHFFFAOYSA-N 1 2 493.524 -0.210 20 0 JBADLO CC(C)C[C@H](CNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)[NH+]1CCOCC1 ZINC000616312439 1068313255 /nfs/dbraw/zinc/31/32/55/1068313255.db2.gz DAVVWVWSUXVJGW-GOSISDBHSA-N 1 2 495.602 -0.391 20 0 JBADLO CC(C)C[C@@H](CNC(=O)C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)[NH+]1CCOCC1 ZINC000616312440 1068313107 /nfs/dbraw/zinc/31/31/07/1068313107.db2.gz DAVVWVWSUXVJGW-SFHVURJKSA-N 1 2 495.602 -0.391 20 0 JBADLO COCCn1cc(NC(=O)C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)cn1 ZINC000616398969 1068314909 /nfs/dbraw/zinc/31/49/09/1068314909.db2.gz ARQGTTZRJUBXFH-UHFFFAOYSA-N 1 2 465.536 -0.869 20 0 JBADLO COCCOc1ccc(NC(=O)C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)cn1 ZINC000616399053 1068315179 /nfs/dbraw/zinc/31/51/79/1068315179.db2.gz JVZSUVYKAZHTEY-UHFFFAOYSA-N 1 2 492.558 -0.292 20 0 JBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)C(=O)Nc1ccccc1Cn1cncn1 ZINC000616399086 1068314328 /nfs/dbraw/zinc/31/43/28/1068314328.db2.gz LVTGXRMZKLNYIG-UHFFFAOYSA-N 1 2 498.569 -0.072 20 0 JBADLO Cn1c(=O)c2cc(NC(=O)C(=O)NCC[NH+]3CCN(c4ccc(F)cc4)CC3)cnc2n(C)c1=O ZINC000616399091 1068314487 /nfs/dbraw/zinc/31/44/87/1068314487.db2.gz MFJKBRWFMMMERO-UHFFFAOYSA-N 1 2 483.504 -0.352 20 0 JBADLO NC(=O)c1ccc(F)c(NC(=O)C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)c1 ZINC000616399094 1068314611 /nfs/dbraw/zinc/31/46/11/1068314611.db2.gz MJFWEHYNTZKFAU-UHFFFAOYSA-N 1 2 478.506 -0.474 20 0 JBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)C(=O)Nc1ccccc1-n1ccnn1 ZINC000616399115 1068315210 /nfs/dbraw/zinc/31/52/10/1068315210.db2.gz NWDMDAJCSGLELC-UHFFFAOYSA-N 1 2 484.542 -0.131 20 0 JBADLO CN(C)c1ccc(NC(=O)C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)cn1 ZINC000616399118 1068315308 /nfs/dbraw/zinc/31/53/08/1068315308.db2.gz OAUZBMFQAQVGPD-UHFFFAOYSA-N 1 2 461.548 -0.251 20 0 JBADLO Cc1nn(C)c2ncc(NC(=O)C(=O)NCCS(=O)(=O)N3CCN(c4cccc[nH+]4)CC3)cc12 ZINC000616399145 1068315078 /nfs/dbraw/zinc/31/50/78/1068315078.db2.gz QNSBTVCAVVVKSH-UHFFFAOYSA-N 1 2 486.558 -0.122 20 0 JBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)C(=O)Nc1cccc(Cn2cncn2)c1 ZINC000616399255 1068314694 /nfs/dbraw/zinc/31/46/94/1068314694.db2.gz YFWRXVONFPYKJG-UHFFFAOYSA-N 1 2 498.569 -0.072 20 0 JBADLO O=C(NCCc1cn2c([nH+]1)CCCC2)C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000616413525 1068314362 /nfs/dbraw/zinc/31/43/62/1068314362.db2.gz PGSIWIMHAMJEPC-UHFFFAOYSA-N 1 2 474.543 -0.363 20 0 JBADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)N2CCN(C(=O)C(=O)N3CCCC3)CC2)CC1 ZINC000616468923 1068317161 /nfs/dbraw/zinc/31/71/61/1068317161.db2.gz ZFSBGGXTFXRTMB-UHFFFAOYSA-N 1 2 484.557 -0.694 20 0 JBADLO O=C(Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1)C(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000616728953 1068319402 /nfs/dbraw/zinc/31/94/02/1068319402.db2.gz BLHZTZGUQGAORY-UHFFFAOYSA-N 1 2 472.527 -0.511 20 0 JBADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)N2CCN(C(=O)[C@@H]3CCCO3)CC2)CC1 ZINC000616778532 1068320224 /nfs/dbraw/zinc/32/02/24/1068320224.db2.gz JEMIRMGWEMXPMQ-IBGZPJMESA-N 1 2 457.531 -0.138 20 0 JBADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)N2CCN(C(=O)[C@H]3CCCO3)CC2)CC1 ZINC000616778534 1068320004 /nfs/dbraw/zinc/32/00/04/1068320004.db2.gz JEMIRMGWEMXPMQ-LJQANCHMSA-N 1 2 457.531 -0.138 20 0 JBADLO CC(C)NC(=O)CN1CCN(C(=O)C(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)CC1 ZINC000616839885 1068321763 /nfs/dbraw/zinc/32/17/63/1068321763.db2.gz OEDDDNCNUVHTRR-UHFFFAOYSA-N 1 2 458.563 -0.319 20 0 JBADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)N2CCN(CC(=O)N3CCCC3)CC2)CC1 ZINC000616840367 1068321062 /nfs/dbraw/zinc/32/10/62/1068321062.db2.gz HSBXKJXULDRDMU-UHFFFAOYSA-N 1 2 470.574 -0.221 20 0 JBADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)N2CCN(CC(=O)NC3CC3)CC2)CC1 ZINC000616884517 1068322251 /nfs/dbraw/zinc/32/22/51/1068322251.db2.gz STYSDTIHSKNWLM-UHFFFAOYSA-N 1 2 456.547 -0.565 20 0 JBADLO CC(C)NC(=O)C(=O)N1CCN(C(=O)C(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)CC1 ZINC000616940131 1068324155 /nfs/dbraw/zinc/32/41/55/1068324155.db2.gz JMJZCFHXYFYERP-UHFFFAOYSA-N 1 2 472.546 -0.792 20 0 JBADLO C[C@@H](C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)S(=O)(=O)c1ccc(F)cc1 ZINC000617008603 1067721031 /nfs/dbraw/zinc/72/10/31/1067721031.db2.gz SFYVFNWDQRVWHS-HNNXBMFYSA-N 1 2 462.569 -0.376 20 0 JBADLO C[C@H](C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)S(=O)(=O)c1ccc(F)cc1 ZINC000617008604 1067721063 /nfs/dbraw/zinc/72/10/63/1067721063.db2.gz SFYVFNWDQRVWHS-OAHLLOKOSA-N 1 2 462.569 -0.376 20 0 JBADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)N2CCN(C(=O)CN3CCOCC3)CC2)CC1 ZINC000617483621 1068328840 /nfs/dbraw/zinc/32/88/40/1068328840.db2.gz JUMHZDSZVCGBSV-UHFFFAOYSA-N 1 2 486.573 -0.984 20 0 JBADLO CNS(=O)(=O)c1cccc(NC(=O)C(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)c1 ZINC000617484910 1068328738 /nfs/dbraw/zinc/32/87/38/1068328738.db2.gz GPWKONIGPRPIFA-UHFFFAOYSA-N 1 2 458.504 -0.441 20 0 JBADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)N2CCCN(S(C)(=O)=O)CC2)CC1 ZINC000617492357 1068328437 /nfs/dbraw/zinc/32/84/37/1068328437.db2.gz OULCTHWZXLOMFP-UHFFFAOYSA-N 1 2 451.549 -0.493 20 0 JBADLO CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)N3CCN(S(=O)(=O)N(C)C)CC3)cc2)CC1 ZINC000617518972 1068330192 /nfs/dbraw/zinc/33/01/92/1068330192.db2.gz KITFSUWOGRYNMP-UHFFFAOYSA-N 1 2 466.608 -0.287 20 0 JBADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)N2CCC[C@@H](CNS(C)(=O)=O)C2)CC1 ZINC000617612004 1068331982 /nfs/dbraw/zinc/33/19/82/1068331982.db2.gz WCGXWAHFAHFQBW-INIZCTEOSA-N 1 2 465.576 -0.200 20 0 JBADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)N2CCC[C@H](CNS(C)(=O)=O)C2)CC1 ZINC000617612005 1068332207 /nfs/dbraw/zinc/33/22/07/1068332207.db2.gz WCGXWAHFAHFQBW-MRXNPFEDSA-N 1 2 465.576 -0.200 20 0 JBADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)N2CCC[C@H](NS(C)(=O)=O)C2)CC1 ZINC000617613480 1068332776 /nfs/dbraw/zinc/33/27/76/1068332776.db2.gz MPUPZIRKJLIYPC-HNNXBMFYSA-N 1 2 451.549 -0.447 20 0 JBADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)N2CCC[C@@H](NS(C)(=O)=O)C2)CC1 ZINC000617613481 1068332389 /nfs/dbraw/zinc/33/23/89/1068332389.db2.gz MPUPZIRKJLIYPC-OAHLLOKOSA-N 1 2 451.549 -0.447 20 0 JBADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)N2CCN(c3ccc(C(N)=O)cn3)CC2)CC1 ZINC000617631952 1068333067 /nfs/dbraw/zinc/33/30/67/1068333067.db2.gz XYPVVCSURCSLAD-UHFFFAOYSA-N 1 2 479.541 -0.145 20 0 JBADLO CCC(=O)Nc1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC000617685950 1068333872 /nfs/dbraw/zinc/33/38/72/1068333872.db2.gz GUDXTDPXVJFQEH-UHFFFAOYSA-N 1 2 466.564 -0.390 20 0 JBADLO COCCOCc1cccc(NC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC000617685952 1068333557 /nfs/dbraw/zinc/33/35/57/1068333557.db2.gz IGTITEXTDRHACT-UHFFFAOYSA-N 1 2 483.591 -0.576 20 0 JBADLO CCS(=O)(=O)NC1CCN(C(=O)C(=O)Nc2ccccc2C(=O)N2CC[NH+](C)CC2)CC1 ZINC000617704356 1068334091 /nfs/dbraw/zinc/33/40/91/1068334091.db2.gz DBQMZKVMGWHTMW-UHFFFAOYSA-N 1 2 465.576 -0.057 20 0 JBADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)NCCCn2nc3n(c2=O)CCCC3)CC1 ZINC000617748937 1068334365 /nfs/dbraw/zinc/33/43/65/1068334365.db2.gz FRWRCCAQZFIXKL-UHFFFAOYSA-N 1 2 469.546 -0.086 20 0 JBADLO CCN(CCCNC(=O)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1)S(C)(=O)=O ZINC000617811441 1068334146 /nfs/dbraw/zinc/33/41/46/1068334146.db2.gz GNYNZMBLTMIREM-UHFFFAOYSA-N 1 2 453.565 -0.200 20 0 JBADLO CS(=O)(=O)N1CCCC[C@H]1C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000617978408 1068334974 /nfs/dbraw/zinc/33/49/74/1068334974.db2.gz ZSIPUFIWLVPULM-INIZCTEOSA-N 1 2 459.594 -0.536 20 0 JBADLO CS(=O)(=O)N1CCCC[C@@H]1C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000617978409 1068335215 /nfs/dbraw/zinc/33/52/15/1068335215.db2.gz ZSIPUFIWLVPULM-MRXNPFEDSA-N 1 2 459.594 -0.536 20 0 JBADLO Cc1oc(C)c(S(N)(=O)=O)c1C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000617979446 1068335145 /nfs/dbraw/zinc/33/51/45/1068335145.db2.gz SHWBBEFQHXAADN-UHFFFAOYSA-N 1 2 471.561 -0.179 20 0 JBADLO CC(=O)N[C@@H](C)c1ccc(S(=O)(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)s1 ZINC000618458418 1068335108 /nfs/dbraw/zinc/33/51/08/1068335108.db2.gz CGELMZPGHDKAJX-AWEZNQCLSA-N 1 2 479.650 -0.256 20 0 JBADLO CC(=O)N[C@H](C)c1ccc(S(=O)(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)s1 ZINC000618458433 1068335048 /nfs/dbraw/zinc/33/50/48/1068335048.db2.gz CGELMZPGHDKAJX-CQSZACIVSA-N 1 2 479.650 -0.256 20 0 JBADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)CC1 ZINC000618540003 1068335489 /nfs/dbraw/zinc/33/54/89/1068335489.db2.gz KVRRVSGFKUHOSK-UHFFFAOYSA-N 1 2 470.530 -0.101 20 0 JBADLO Cc1cc(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)ccc1N1CCNC1=O ZINC000618780895 1068335688 /nfs/dbraw/zinc/33/56/88/1068335688.db2.gz IXOCAJSVMJTPLW-UHFFFAOYSA-N 1 2 450.565 -0.225 20 0 JBADLO CN(C)S(=O)(=O)N1CCN(C(=O)C(=O)Nc2cccc(C[NH+]3CCN(C)CC3)c2)CC1 ZINC000619807176 1068336930 /nfs/dbraw/zinc/33/69/30/1068336930.db2.gz FAIDUKCPHMMTDF-UHFFFAOYSA-N 1 2 452.581 -0.677 20 0 JBADLO COCCOc1ccccc1NC(=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000619813900 1068337190 /nfs/dbraw/zinc/33/71/90/1068337190.db2.gz XZEQZOBIDLSLNF-UHFFFAOYSA-N 1 2 469.564 -0.713 20 0 JBADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000620053612 1068339279 /nfs/dbraw/zinc/33/92/79/1068339279.db2.gz UNHYUDRHNBJDPC-HNNXBMFYSA-N 1 2 451.549 -0.447 20 0 JBADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)CC1 ZINC000620053613 1068339528 /nfs/dbraw/zinc/33/95/28/1068339528.db2.gz UNHYUDRHNBJDPC-OAHLLOKOSA-N 1 2 451.549 -0.447 20 0 JBADLO CCNC(=O)C[N@H+]1CCCN(C(=O)Cn2cc(S(=O)(=O)N(CC)CC)ccc2=O)CC1 ZINC000620199251 1068340189 /nfs/dbraw/zinc/34/01/89/1068340189.db2.gz SXKCGMFECKNKER-UHFFFAOYSA-N 1 2 455.581 -0.451 20 0 JBADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)Cn2cc(S(=O)(=O)N(CC)CC)ccc2=O)CC1 ZINC000620199251 1068340170 /nfs/dbraw/zinc/34/01/70/1068340170.db2.gz SXKCGMFECKNKER-UHFFFAOYSA-N 1 2 455.581 -0.451 20 0 JBADLO CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(NC(C)=O)cc2)CC1 ZINC000620199368 1068339871 /nfs/dbraw/zinc/33/98/71/1068339871.db2.gz YZHVLRMZFBAEAW-HNNXBMFYSA-N 1 2 453.565 -0.018 20 0 JBADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H](C)NS(=O)(=O)c2ccc(NC(C)=O)cc2)CC1 ZINC000620199368 1068339854 /nfs/dbraw/zinc/33/98/54/1068339854.db2.gz YZHVLRMZFBAEAW-HNNXBMFYSA-N 1 2 453.565 -0.018 20 0 JBADLO Cc1nc(-c2cccc(NC(=O)C(=O)N3CCN(S(=O)(=O)N4CC[NH+](C)CC4)CC3)c2)no1 ZINC000620293977 1068340457 /nfs/dbraw/zinc/34/04/57/1068340457.db2.gz ZGFPMHFPYYYAQN-UHFFFAOYSA-N 1 2 477.547 -0.380 20 0 JBADLO Cn1c(=O)c2cc(NC(=O)C(=O)NCc3cccc(OCC[NH+]4CCOCC4)c3)cnc2n(C)c1=O ZINC000620405821 1068341379 /nfs/dbraw/zinc/34/13/79/1068341379.db2.gz FPAFFNQJHSFWCE-UHFFFAOYSA-N 1 2 496.524 -0.402 20 0 JBADLO COc1ccc(NC(=O)C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)c(OC)n1 ZINC000620830130 1068343236 /nfs/dbraw/zinc/34/32/36/1068343236.db2.gz IHCVPEKUMMJYAP-UHFFFAOYSA-N 1 2 478.531 -0.300 20 0 JBADLO COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1NC(=O)C(=O)N1CC[NH+](C2CC2)CC1 ZINC000620843967 1068343868 /nfs/dbraw/zinc/34/38/68/1068343868.db2.gz BNLDJRRKFYFPJS-UHFFFAOYSA-N 1 2 465.576 -0.124 20 0 JBADLO CCNC(=O)CN1CCCN(C(=O)CCCC(=O)N2CCC[N@@H+](CC(=O)NCC)CC2)CC1 ZINC000620977616 1068344336 /nfs/dbraw/zinc/34/43/36/1068344336.db2.gz KSEKCQPHBHBRAW-UHFFFAOYSA-N 1 2 466.627 -0.503 20 0 JBADLO CCNC(=O)CN1CCCN(C(=O)CCCC(=O)N2CCC[N@H+](CC(=O)NCC)CC2)CC1 ZINC000620977616 1068344318 /nfs/dbraw/zinc/34/43/18/1068344318.db2.gz KSEKCQPHBHBRAW-UHFFFAOYSA-N 1 2 466.627 -0.503 20 0 JBADLO CC(=O)N(C)c1ccc(NC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC000621018659 1068344529 /nfs/dbraw/zinc/34/45/29/1068344529.db2.gz YGPZLIHKEFVODE-UHFFFAOYSA-N 1 2 466.564 -0.756 20 0 JBADLO O=C(NCC[NH+]1Cc2ccccc2C1)C(=O)Nc1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC000621023595 1068345158 /nfs/dbraw/zinc/34/51/58/1068345158.db2.gz MLLGFJLMGLVZTF-UHFFFAOYSA-N 1 2 471.539 -0.122 20 0 JBADLO CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)[C@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)CC2)cc1 ZINC000621629353 1068346432 /nfs/dbraw/zinc/34/64/32/1068346432.db2.gz OBIPULITBGERJU-FQEVSTJZSA-N 1 2 492.598 -0.097 20 0 JBADLO CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)CC2)cc1 ZINC000621629354 1068345813 /nfs/dbraw/zinc/34/58/13/1068345813.db2.gz OBIPULITBGERJU-HXUWFJFHSA-N 1 2 492.598 -0.097 20 0 JBADLO O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)s1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000621636544 1068346468 /nfs/dbraw/zinc/34/64/68/1068346468.db2.gz DWNJJIQWYVTCDQ-INIZCTEOSA-N 1 2 486.616 -0.434 20 0 JBADLO O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)s1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000621636545 1068346246 /nfs/dbraw/zinc/34/62/46/1068346246.db2.gz DWNJJIQWYVTCDQ-MRXNPFEDSA-N 1 2 486.616 -0.434 20 0 JBADLO O=C([C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 ZINC000621637536 1068345698 /nfs/dbraw/zinc/34/56/98/1068345698.db2.gz SYKORUGINCWJOV-INIZCTEOSA-N 1 2 486.541 -0.022 20 0 JBADLO O=C([C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1 ZINC000621637537 1068345937 /nfs/dbraw/zinc/34/59/37/1068345937.db2.gz SYKORUGINCWJOV-MRXNPFEDSA-N 1 2 486.541 -0.022 20 0 JBADLO O=C(NCc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000621640800 1068346527 /nfs/dbraw/zinc/34/65/27/1068346527.db2.gz VHRZGAVNKGZXRP-PMACEKPBSA-N 1 2 494.614 -0.059 20 0 JBADLO O=C(NCc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000621640801 1068346373 /nfs/dbraw/zinc/34/63/73/1068346373.db2.gz VHRZGAVNKGZXRP-UXHICEINSA-N 1 2 494.614 -0.059 20 0 JBADLO O=C(NCc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000621640802 1068346288 /nfs/dbraw/zinc/34/62/88/1068346288.db2.gz VHRZGAVNKGZXRP-VQTJNVASSA-N 1 2 494.614 -0.059 20 0 JBADLO O=C(NCc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000621640803 1068346403 /nfs/dbraw/zinc/34/64/03/1068346403.db2.gz VHRZGAVNKGZXRP-WOJBJXKFSA-N 1 2 494.614 -0.059 20 0 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CS(=O)(=O)c1ccccc1NC(=O)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000643039706 1069085766 /nfs/dbraw/zinc/08/57/66/1069085766.db2.gz PXCDPRXFWZUAKP-UHFFFAOYSA-N 1 2 495.583 -0.308 20 0 JBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)C(=O)Nc1ccccc1-n1cncn1 ZINC000643039718 1069085733 /nfs/dbraw/zinc/08/57/33/1069085733.db2.gz RVKOZPZWXZXKKW-UHFFFAOYSA-N 1 2 484.542 -0.131 20 0 JBADLO CN(C)C(=O)c1cccc(NC(=O)C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)c1 ZINC000643039722 1069085934 /nfs/dbraw/zinc/08/59/34/1069085934.db2.gz SLONWYWVWHBKLX-UHFFFAOYSA-N 1 2 488.570 -0.010 20 0 JBADLO NC(=O)c1cc(NC(=O)C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)ccc1F ZINC000643039727 1069085780 /nfs/dbraw/zinc/08/57/80/1069085780.db2.gz SYMFDXMPWQIKGG-UHFFFAOYSA-N 1 2 478.506 -0.474 20 0 JBADLO Cc1nnnn1-c1cccc(NC(=O)C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)c1 ZINC000643039729 1069085835 /nfs/dbraw/zinc/08/58/35/1069085835.db2.gz TZFRIUOPCXCCFO-UHFFFAOYSA-N 1 2 499.557 -0.428 20 0 JBADLO CS(=O)(=O)c1ccc(NC(=O)C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000643039735 1069085912 /nfs/dbraw/zinc/08/59/12/1069085912.db2.gz UYQNTVSHKHCMHB-UHFFFAOYSA-N 1 2 495.583 -0.308 20 0 JBADLO NC(=O)c1cccc(NC(=O)C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)c1 ZINC000643039739 1069085751 /nfs/dbraw/zinc/08/57/51/1069085751.db2.gz VLDKRBXUYPKHQN-UHFFFAOYSA-N 1 2 460.516 -0.613 20 0 JBADLO Cc1cc(NC(=O)C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)ccc1-n1cnnn1 ZINC000643039752 1069085923 /nfs/dbraw/zinc/08/59/23/1069085923.db2.gz WRTRFNXZQXPPQL-UHFFFAOYSA-N 1 2 499.557 -0.428 20 0 JBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)C(=O)Nc1ccc(Cn2cncn2)cc1 ZINC000643039754 1069085848 /nfs/dbraw/zinc/08/58/48/1069085848.db2.gz WXAUISZPCXZGAN-UHFFFAOYSA-N 1 2 498.569 -0.072 20 0 JBADLO CNC(=O)c1cccc(NC(=O)C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)c1C ZINC000643039759 1069085886 /nfs/dbraw/zinc/08/58/86/1069085886.db2.gz XXZXJISOKNIAFK-UHFFFAOYSA-N 1 2 488.570 -0.044 20 0 JBADLO CCS(=O)(=O)N(C)CCCNC(=O)C(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC000643057318 1069088525 /nfs/dbraw/zinc/08/85/25/1069088525.db2.gz LQXBVZQEVXCOQC-UHFFFAOYSA-N 1 2 453.565 -0.200 20 0 JBADLO C[NH+]1CCN(C(=O)c2ccccc2NC(=O)C(=O)NCCS(=O)(=O)NC(C)(C)C)CC1 ZINC000643064776 1069089408 /nfs/dbraw/zinc/08/94/08/1069089408.db2.gz XSHWOHRZQKCFAH-UHFFFAOYSA-N 1 2 453.565 -0.153 20 0 JBADLO COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1NC(=O)C(=O)N[C@@H](C)Cn1cc[nH+]c1 ZINC000643067542 1069089626 /nfs/dbraw/zinc/08/96/26/1069089626.db2.gz XMHRLWUCPHQUPO-HNNXBMFYSA-N 1 2 464.548 -0.029 20 0 JBADLO COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1NC(=O)C(=O)N[C@H](C)Cn1cc[nH+]c1 ZINC000643067543 1069089437 /nfs/dbraw/zinc/08/94/37/1069089437.db2.gz XMHRLWUCPHQUPO-OAHLLOKOSA-N 1 2 464.548 -0.029 20 0 JBADLO CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)NCCC(=O)N[C@H]3CCS(=O)(=O)C3)cc2)CC1 ZINC000643077802 1069089590 /nfs/dbraw/zinc/08/95/90/1069089590.db2.gz GSBBJTXQBSWUTF-IBGZPJMESA-N 1 2 479.603 -0.428 20 0 JBADLO CCN1CC[NH+](Cc2ccc(NC(=O)C(=O)NCCC(=O)N[C@@H]3CCS(=O)(=O)C3)cc2)CC1 ZINC000643077803 1069089458 /nfs/dbraw/zinc/08/94/58/1069089458.db2.gz GSBBJTXQBSWUTF-LJQANCHMSA-N 1 2 479.603 -0.428 20 0 JBADLO Cc1cc(C)n2nc(CC(=O)NCCS(=O)(=O)N3CCN(c4cccc[nH+]4)CC3)nc2n1 ZINC000643181600 1069092235 /nfs/dbraw/zinc/09/22/35/1069092235.db2.gz AJXFBBKHDCIXEA-UHFFFAOYSA-N 1 2 458.548 -0.053 20 0 JBADLO CC[NH+](CC)CCN([C@@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000643605841 1069092305 /nfs/dbraw/zinc/09/23/05/1069092305.db2.gz HLUJHQGSEMWLAO-CYBMUJFWSA-N 1 2 458.562 -0.264 20 0 JBADLO CC[NH+](CC)CCN([C@H]1CCS(=O)(=O)C1)S(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1 ZINC000643605842 1069092764 /nfs/dbraw/zinc/09/27/64/1069092764.db2.gz HLUJHQGSEMWLAO-ZDUSSCGKSA-N 1 2 458.562 -0.264 20 0 JBADLO CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)cc1 ZINC000643628046 1069092870 /nfs/dbraw/zinc/09/28/70/1069092870.db2.gz YFRKGSYBFOXTDC-UHFFFAOYSA-N 1 2 472.531 -0.051 20 0 JBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000643629438 1069092632 /nfs/dbraw/zinc/09/26/32/1069092632.db2.gz IWEVHDYBTRHLTQ-QAPCUYQASA-N 1 2 489.533 -0.025 20 0 JBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)[C@@H]2C[C@H](O)CN2S(=O)(=O)c2ccc(F)cc2)CC1 ZINC000643629439 1069092938 /nfs/dbraw/zinc/09/29/38/1069092938.db2.gz IWEVHDYBTRHLTQ-YJBOKZPZSA-N 1 2 489.533 -0.025 20 0 JBADLO Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000643630306 1069092832 /nfs/dbraw/zinc/09/28/32/1069092832.db2.gz DMTZKKBKXPZSNY-UHFFFAOYSA-N 1 2 474.547 -0.315 20 0 JBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)c2cc(S(N)(=O)=O)ccc2N2CCOCC2)CC1 ZINC000643630935 1069092670 /nfs/dbraw/zinc/09/26/70/1069092670.db2.gz OIEHTWNRPXVPFE-UHFFFAOYSA-N 1 2 486.558 -0.190 20 0 JBADLO CC(C)[C@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)N1CC[NH+](CCO)CC1 ZINC000648103015 1069093649 /nfs/dbraw/zinc/09/36/49/1069093649.db2.gz PDYOEEMQRGWFJN-FQEVSTJZSA-N 1 2 482.603 -0.402 20 0 JBADLO CC(C)[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCOCC2)c1)C(=O)N1CC[NH+](CCO)CC1 ZINC000648103016 1069093813 /nfs/dbraw/zinc/09/38/13/1069093813.db2.gz PDYOEEMQRGWFJN-HXUWFJFHSA-N 1 2 482.603 -0.402 20 0 JBADLO CN(C)C(=O)CN1CCN(C(=O)C[NH+]2CCN(Cc3cc(=O)n4ccsc4n3)CC2)CC1 ZINC000672780639 1068408945 /nfs/dbraw/zinc/40/89/45/1068408945.db2.gz SXVYFCLWFDWKFU-UHFFFAOYSA-N 1 2 461.592 -0.894 20 0 JBADLO CCn1c(=O)c(C(=O)CN(C)CC(=O)N2CC[NH+](C)CC2)c(N)n(Cc2ccccc2)c1=O ZINC000673826466 1068422170 /nfs/dbraw/zinc/42/21/70/1068422170.db2.gz ISYJLBDXLGCYAZ-UHFFFAOYSA-N 1 2 456.547 -0.451 20 0 JBADLO CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)NC[C@@H](O)C[NH+]1CCOCC1 ZINC000674408509 1068424807 /nfs/dbraw/zinc/42/48/07/1068424807.db2.gz CITBOCGSBWHKRB-BEFAXECRSA-N 1 2 457.549 -0.430 20 0 JBADLO CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCO2)C(=O)NC[C@H](O)C[NH+]1CCOCC1 ZINC000674408514 1068424695 /nfs/dbraw/zinc/42/46/95/1068424695.db2.gz CITBOCGSBWHKRB-KXBFYZLASA-N 1 2 457.549 -0.430 20 0 JBADLO O=C(CN1CCN(C(=O)C(=O)N2CCOCC2)CC1)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000680942292 1069128707 /nfs/dbraw/zinc/12/87/07/1069128707.db2.gz WOSKISMIEXFHSA-UHFFFAOYSA-N 1 2 459.547 -0.540 20 0 JBADLO NS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)NCCCn3cc[nH+]c3)CC2)cc1 ZINC000682807938 1069130858 /nfs/dbraw/zinc/13/08/58/1069130858.db2.gz KPXLKGBZASFTRN-UHFFFAOYSA-N 1 2 456.550 -0.363 20 0 JBADLO CC(C)(CNC(=O)N1CCN(S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)CC1)[NH+]1CCOCC1 ZINC000682822876 1069130601 /nfs/dbraw/zinc/13/06/01/1069130601.db2.gz YENWJKDESNPWRJ-UHFFFAOYSA-N 1 2 489.620 -0.539 20 0 JBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)CN2C(=O)c3ccccc3CS2(=O)=O)CC1 ZINC000726120549 1069141253 /nfs/dbraw/zinc/14/12/53/1069141253.db2.gz TUVMREFIALPZSR-UHFFFAOYSA-N 1 2 455.500 -0.002 20 0 JBADLO C[C@H]1C[N@@H+](CCNC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CC(=O)N4)CC2)CCO1 ZINC000726256958 1069143146 /nfs/dbraw/zinc/14/31/46/1069143146.db2.gz FQSNPDOMQMGUEA-HNNXBMFYSA-N 1 2 451.549 -0.082 20 0 JBADLO C[C@H]1C[N@H+](CCNC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CC(=O)N4)CC2)CCO1 ZINC000726256958 1069143130 /nfs/dbraw/zinc/14/31/30/1069143130.db2.gz FQSNPDOMQMGUEA-HNNXBMFYSA-N 1 2 451.549 -0.082 20 0 JBADLO C[C@@H]1C[N@@H+](CCNC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CC(=O)N4)CC2)CCO1 ZINC000726256961 1069143269 /nfs/dbraw/zinc/14/32/69/1069143269.db2.gz FQSNPDOMQMGUEA-OAHLLOKOSA-N 1 2 451.549 -0.082 20 0 JBADLO C[C@@H]1C[N@H+](CCNC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CC(=O)N4)CC2)CCO1 ZINC000726256961 1069143256 /nfs/dbraw/zinc/14/32/56/1069143256.db2.gz FQSNPDOMQMGUEA-OAHLLOKOSA-N 1 2 451.549 -0.082 20 0 JBADLO C[C@H]1C[N@@H+](CCNC(=O)N2CCN(S(=O)(=O)c3ccc(S(N)(=O)=O)cc3)CC2)CCO1 ZINC000726260338 1069143410 /nfs/dbraw/zinc/14/34/10/1069143410.db2.gz ZSIMHGZWXLUAQA-HNNXBMFYSA-N 1 2 475.593 -0.929 20 0 JBADLO C[C@H]1C[N@H+](CCNC(=O)N2CCN(S(=O)(=O)c3ccc(S(N)(=O)=O)cc3)CC2)CCO1 ZINC000726260338 1069143406 /nfs/dbraw/zinc/14/34/06/1069143406.db2.gz ZSIMHGZWXLUAQA-HNNXBMFYSA-N 1 2 475.593 -0.929 20 0 JBADLO C[C@@H]1C[N@@H+](CCNC(=O)N2CCN(S(=O)(=O)c3ccc(S(N)(=O)=O)cc3)CC2)CCO1 ZINC000726260348 1069144188 /nfs/dbraw/zinc/14/41/88/1069144188.db2.gz ZSIMHGZWXLUAQA-OAHLLOKOSA-N 1 2 475.593 -0.929 20 0 JBADLO C[C@@H]1C[N@H+](CCNC(=O)N2CCN(S(=O)(=O)c3ccc(S(N)(=O)=O)cc3)CC2)CCO1 ZINC000726260348 1069144176 /nfs/dbraw/zinc/14/41/76/1069144176.db2.gz ZSIMHGZWXLUAQA-OAHLLOKOSA-N 1 2 475.593 -0.929 20 0 JBADLO NS(=O)(=O)c1ccc(CNC(=S)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)cc1 ZINC000726461232 1069146392 /nfs/dbraw/zinc/14/63/92/1069146392.db2.gz XLENKTLNHSGZFW-UHFFFAOYSA-N 1 2 498.656 -0.155 20 0 JBADLO COc1ccc(OC)c(-n2nnn(CN3CCN(S(=O)(=O)N4CC[NH+](C)CC4)CC3)c2=S)c1 ZINC000726585929 1069148990 /nfs/dbraw/zinc/14/89/90/1069148990.db2.gz BSEDMQKHQXHQNX-UHFFFAOYSA-N 1 2 498.635 -0.117 20 0 JBADLO C[C@@H](C(=O)OCC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1)N1C(=O)NC2(CCCC2)C1=O ZINC000726657009 1069150920 /nfs/dbraw/zinc/15/09/20/1069150920.db2.gz YUWDBUNFMLQEDD-AWEZNQCLSA-N 1 2 484.517 -0.192 20 0 JBADLO 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JBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)COC(=O)CNC(=O)Cc2ccc(O)cc2)CC1 ZINC000726822935 1069154809 /nfs/dbraw/zinc/15/48/09/1069154809.db2.gz MSVVCAHNLRLGHX-UHFFFAOYSA-N 1 2 467.486 -0.380 20 0 JBADLO Cc1nc(S(=O)(=O)NCC(=O)OCC(=O)NCc2ccccc2C[NH+]2CCOCC2)cn1C ZINC000727005413 1069156793 /nfs/dbraw/zinc/15/67/93/1069156793.db2.gz CBZXVICKXQHQNY-UHFFFAOYSA-N 1 2 479.559 -0.301 20 0 JBADLO Cc1nc(S(=O)(=O)NCC(=O)OCC(=O)N2CC[NH+](Cc3ccsc3)CC2)cn1C ZINC000727006684 1069156819 /nfs/dbraw/zinc/15/68/19/1069156819.db2.gz GYSCXLSGEKVTTR-UHFFFAOYSA-N 1 2 455.562 -0.044 20 0 JBADLO Cc1nc(S(=O)(=O)NCC(=O)OCC(=O)N2CC[NH+](Cc3cccs3)CC2)cn1C ZINC000727007000 1069158350 /nfs/dbraw/zinc/15/83/50/1069158350.db2.gz QWTCIHSNDDMXRM-UHFFFAOYSA-N 1 2 455.562 -0.044 20 0 JBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)Cn2cnc3c(c(Br)nn3C)c2=O)CC1 ZINC000727099906 1068439602 /nfs/dbraw/zinc/43/96/02/1068439602.db2.gz GGQOSMDEKIPAHF-UHFFFAOYSA-N 1 2 487.322 -0.082 20 0 JBADLO Cn1nc(Br)c2c1ncn(CC(=O)NCC[NH+]1CCN(c3ncccn3)CC1)c2=O ZINC000727101071 1068439628 /nfs/dbraw/zinc/43/96/28/1068439628.db2.gz CSNMNLYVNBKQTD-UHFFFAOYSA-N 1 2 476.339 -0.379 20 0 JBADLO CCNC(=O)C[N@H+]1CCCN(C(=O)Cn2cnc3c(c(Br)nn3C)c2=O)CC1 ZINC000727102865 1068440307 /nfs/dbraw/zinc/44/03/07/1068440307.db2.gz XEPMAPBOYWADRU-UHFFFAOYSA-N 1 2 454.329 -0.437 20 0 JBADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)Cn2cnc3c(c(Br)nn3C)c2=O)CC1 ZINC000727102865 1068440297 /nfs/dbraw/zinc/44/02/97/1068440297.db2.gz XEPMAPBOYWADRU-UHFFFAOYSA-N 1 2 454.329 -0.437 20 0 JBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)COC(=O)CNC(=O)c2ccc(O)cc2)CC1 ZINC000727541894 1067926308 /nfs/dbraw/zinc/92/63/08/1067926308.db2.gz QEESOULTXWZYOT-UHFFFAOYSA-N 1 2 453.459 -0.309 20 0 JBADLO COC(=O)Nc1cc(NC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)ccc1F ZINC000727613923 1068447607 /nfs/dbraw/zinc/44/76/07/1068447607.db2.gz CNIAUGVXBMGQFF-UHFFFAOYSA-N 1 2 486.526 -0.421 20 0 JBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)CN2C(=O)N[C@](C)(c3cccc(C(N)=O)c3)C2=O)CC1 ZINC000727656381 1068448719 /nfs/dbraw/zinc/44/87/19/1068448719.db2.gz PXQPVCUVFPGBSY-HSZRJFAPSA-N 1 2 491.512 -0.422 20 0 JBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)CN2C(=O)N[C@@](C)(c3cccc(C(N)=O)c3)C2=O)CC1 ZINC000727656382 1068448625 /nfs/dbraw/zinc/44/86/25/1068448625.db2.gz PXQPVCUVFPGBSY-QHCPKHFHSA-N 1 2 491.512 -0.422 20 0 JBADLO CCOC(=O)C1=NN(c2ccccc2)[C@H](C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000727767312 1068448539 /nfs/dbraw/zinc/44/85/39/1068448539.db2.gz VDQCJPOHOWTCCW-FQEVSTJZSA-N 1 2 492.602 -0.179 20 0 JBADLO CCOC(=O)C1=NN(c2ccccc2)[C@@H](C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC000727767313 1068449530 /nfs/dbraw/zinc/44/95/30/1068449530.db2.gz VDQCJPOHOWTCCW-HXUWFJFHSA-N 1 2 492.602 -0.179 20 0 JBADLO CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=S)NCCNS(C)(=O)=O)cc2)CC1 ZINC000727978824 1068453363 /nfs/dbraw/zinc/45/33/63/1068453363.db2.gz PVZKHULMLRWBKW-UHFFFAOYSA-N 1 2 471.649 -0.215 20 0 JBADLO CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)/C=C/c3cn(C)c(=O)n(C)c3=O)cc2)CC1 ZINC000728030466 1068453498 /nfs/dbraw/zinc/45/34/98/1068453498.db2.gz QVVSRLBIXLVCER-RMKNXTFCSA-N 1 2 483.569 -0.001 20 0 JBADLO CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)/C=C\c3cn(C)c(=O)n(C)c3=O)cc2)CC1 ZINC000728030468 1068454378 /nfs/dbraw/zinc/45/43/78/1068454378.db2.gz QVVSRLBIXLVCER-TWGQIWQCSA-N 1 2 483.569 -0.001 20 0 JBADLO Cc1ccccc1[C@]1(C)NC(=O)N(CN2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1=O ZINC000728044566 1068454259 /nfs/dbraw/zinc/45/42/59/1068454259.db2.gz JZBUVDCGWXCLHH-NRFANRHFSA-N 1 2 464.592 -0.171 20 0 JBADLO Cc1ccccc1[C@@]1(C)NC(=O)N(CN2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1=O ZINC000728044572 1068454352 /nfs/dbraw/zinc/45/43/52/1068454352.db2.gz JZBUVDCGWXCLHH-OAQYLSRUSA-N 1 2 464.592 -0.171 20 0 JBADLO CC/C=C(\C)C(=O)N1CSC[C@H]1C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000728067721 1068454321 /nfs/dbraw/zinc/45/43/21/1068454321.db2.gz YQWRLBJOBBTVAS-DNIVAWAASA-N 1 2 459.638 -0.119 20 0 JBADLO CC/C=C(/C)C(=O)N1CSC[C@@H]1C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000728067723 1068454401 /nfs/dbraw/zinc/45/44/01/1068454401.db2.gz YQWRLBJOBBTVAS-HFLUPCSWSA-N 1 2 459.638 -0.119 20 0 JBADLO CC/C=C(/C)C(=O)N1CSC[C@H]1C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000728067725 1068454218 /nfs/dbraw/zinc/45/42/18/1068454218.db2.gz YQWRLBJOBBTVAS-JVMBSBNBSA-N 1 2 459.638 -0.119 20 0 JBADLO CC/C=C(\C)C(=O)N1CSC[C@@H]1C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000728067727 1068454419 /nfs/dbraw/zinc/45/44/19/1068454419.db2.gz YQWRLBJOBBTVAS-RPDKKYPRSA-N 1 2 459.638 -0.119 20 0 JBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)COC(=O)Cc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000728371131 1067665911 /nfs/dbraw/zinc/66/59/11/1067665911.db2.gz FQXNXZMLYJNRII-UHFFFAOYSA-N 1 2 473.515 -0.555 20 0 JBADLO CCOC(=O)c1cc(S(=O)(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)ccc1F ZINC000728581839 1067684971 /nfs/dbraw/zinc/68/49/71/1067684971.db2.gz HLRROXGUTLJJIK-UHFFFAOYSA-N 1 2 478.568 -0.199 20 0 JBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)CN2C(=O)N[C@](C)(c3ccc(C(N)=O)cc3)C2=O)CC1 ZINC000728794683 1067718570 /nfs/dbraw/zinc/71/85/70/1067718570.db2.gz LXSJJGBSNVKSBJ-HSZRJFAPSA-N 1 2 491.512 -0.422 20 0 JBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)CN2C(=O)N[C@@](C)(c3ccc(C(N)=O)cc3)C2=O)CC1 ZINC000728794684 1067718549 /nfs/dbraw/zinc/71/85/49/1067718549.db2.gz LXSJJGBSNVKSBJ-QHCPKHFHSA-N 1 2 491.512 -0.422 20 0 JBADLO NC(=O)C[N@H+]1CCCN(C(=O)c2cc(I)ccc2-n2cnnn2)CC1 ZINC000728867115 1067726277 /nfs/dbraw/zinc/72/62/77/1067726277.db2.gz MCUZWPDEUFJGCP-UHFFFAOYSA-N 1 2 455.260 -0.100 20 0 JBADLO NC(=O)C[N@@H+]1CCCN(C(=O)c2cc(I)ccc2-n2cnnn2)CC1 ZINC000728867115 1067726269 /nfs/dbraw/zinc/72/62/69/1067726269.db2.gz MCUZWPDEUFJGCP-UHFFFAOYSA-N 1 2 455.260 -0.100 20 0 JBADLO COc1ccc(-n2cnn(CN3CCN(S(=O)(=O)N4CC[NH+](C)CC4)CC3)c2=S)cn1 ZINC000728897255 1067730212 /nfs/dbraw/zinc/73/02/12/1067730212.db2.gz NFQOLIHFFFTNCY-UHFFFAOYSA-N 1 2 468.609 -0.126 20 0 JBADLO Cc1[nH]c2nn(C)c(=O)c-2c(C)c1CCC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC000729283301 1067748414 /nfs/dbraw/zinc/74/84/14/1067748414.db2.gz KWYFAUGTZRTVIC-UHFFFAOYSA-N 1 2 479.607 -0.553 20 0 JBADLO C[C@@H](c1cccc(NC(=O)C(=O)NCCS(=O)(=O)N2CCOCC2)c1)[NH+]1CCOCC1 ZINC000729787491 1067957317 /nfs/dbraw/zinc/95/73/17/1067957317.db2.gz FQMQUKOUXULCJD-INIZCTEOSA-N 1 2 454.549 -0.204 20 0 JBADLO C[C@H](c1cccc(NC(=O)C(=O)NCCS(=O)(=O)N2CCOCC2)c1)[NH+]1CCOCC1 ZINC000729787493 1067957807 /nfs/dbraw/zinc/95/78/07/1067957807.db2.gz FQMQUKOUXULCJD-MRXNPFEDSA-N 1 2 454.549 -0.204 20 0 JBADLO Cc1cc(C(=O)OCC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)ccc1S(N)(=O)=O ZINC000730891335 1068467346 /nfs/dbraw/zinc/46/73/46/1068467346.db2.gz HBPGPJLEEHJZNC-UHFFFAOYSA-N 1 2 473.515 -0.175 20 0 JBADLO C[C@H]1C[N@@H+](CCNC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)CCO1 ZINC000731407057 1068475457 /nfs/dbraw/zinc/47/54/57/1068475457.db2.gz ZNRDBKGHNGAXQX-HNNXBMFYSA-N 1 2 467.548 -0.246 20 0 JBADLO C[C@H]1C[N@H+](CCNC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)CCO1 ZINC000731407057 1068475453 /nfs/dbraw/zinc/47/54/53/1068475453.db2.gz ZNRDBKGHNGAXQX-HNNXBMFYSA-N 1 2 467.548 -0.246 20 0 JBADLO C[C@@H]1C[N@@H+](CCNC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)CCO1 ZINC000731407058 1068475395 /nfs/dbraw/zinc/47/53/95/1068475395.db2.gz ZNRDBKGHNGAXQX-OAHLLOKOSA-N 1 2 467.548 -0.246 20 0 JBADLO C[C@@H]1C[N@H+](CCNC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)NC(=O)CO4)CC2)CCO1 ZINC000731407058 1068475387 /nfs/dbraw/zinc/47/53/87/1068475387.db2.gz ZNRDBKGHNGAXQX-OAHLLOKOSA-N 1 2 467.548 -0.246 20 0 JBADLO CC(=O)Nc1cc(NC(=O)C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c(F)cc1F ZINC000743389607 1068484521 /nfs/dbraw/zinc/48/45/21/1068484521.db2.gz BQVDCMPOSSEZEW-UHFFFAOYSA-N 1 2 488.517 -0.502 20 0 JBADLO COC(=O)c1nn(CN2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c(C)c1Br ZINC000744137004 1068485582 /nfs/dbraw/zinc/48/55/82/1068485582.db2.gz HENAGIXZXWKTKV-UHFFFAOYSA-N 1 2 479.401 -0.192 20 0 JBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)COC(=O)c2ccc(S(N)(=O)=O)s2)CC1 ZINC000745260189 1068487423 /nfs/dbraw/zinc/48/74/23/1068487423.db2.gz ZFHFQIZTBAZVIP-UHFFFAOYSA-N 1 2 465.517 -0.422 20 0 JBADLO CC(C)(C)OC(=O)N1CCN(CCNC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000746395984 1068489827 /nfs/dbraw/zinc/48/98/27/1068489827.db2.gz WYJDHODWNHNLEG-GOSISDBHSA-N 1 2 453.584 -0.164 20 0 JBADLO CC(C)(C)OC(=O)N1CCN(CCNC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000746395996 1068489926 /nfs/dbraw/zinc/48/99/26/1068489926.db2.gz WYJDHODWNHNLEG-SFHVURJKSA-N 1 2 453.584 -0.164 20 0 JBADLO O=C([C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 ZINC000746396270 1068489893 /nfs/dbraw/zinc/48/98/93/1068489893.db2.gz ZPPXLYMQEUQSQG-KRWDZBQOSA-N 1 2 475.571 -0.540 20 0 JBADLO O=C([C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 ZINC000746396272 1068489918 /nfs/dbraw/zinc/48/99/18/1068489918.db2.gz ZPPXLYMQEUQSQG-QGZVFWFLSA-N 1 2 475.571 -0.540 20 0 JBADLO CN(CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000746398149 1068489800 /nfs/dbraw/zinc/48/98/00/1068489800.db2.gz BDIXRXDIBPPIJO-GOSISDBHSA-N 1 2 481.594 -0.295 20 0 JBADLO CN(CC(=O)N1CCN(C(=O)OC(C)(C)C)CC1)C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC000746398231 1068489950 /nfs/dbraw/zinc/48/99/50/1068489950.db2.gz BDIXRXDIBPPIJO-SFHVURJKSA-N 1 2 481.594 -0.295 20 0 JBADLO CC(C)(C)OC(=O)N1CCN(C(=O)CNC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000746398798 1068489908 /nfs/dbraw/zinc/48/99/08/1068489908.db2.gz IUQPABNPVQCZRL-KRWDZBQOSA-N 1 2 467.567 -0.637 20 0 JBADLO CC(C)(C)OC(=O)N1CCN(C(=O)CNC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC000746398799 1068489854 /nfs/dbraw/zinc/48/98/54/1068489854.db2.gz IUQPABNPVQCZRL-QGZVFWFLSA-N 1 2 467.567 -0.637 20 0 JBADLO Cc1cc(S(N)(=O)=O)sc1C(=O)OCC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000746620190 1068511063 /nfs/dbraw/zinc/51/10/63/1068511063.db2.gz HCWGOIYSWSJWCA-UHFFFAOYSA-N 1 2 479.544 -0.114 20 0 JBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)COC(=O)c2ccc(CS(N)(=O)=O)cc2)CC1 ZINC000746624792 1068511080 /nfs/dbraw/zinc/51/10/80/1068511080.db2.gz BAJXWCYYGXPMEK-UHFFFAOYSA-N 1 2 473.515 -0.343 20 0 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CN1CC[NH+](Cc2cccc(NC(=O)C(=O)NCCS(=O)(=O)N3CCOCC3)c2)CC1 ZINC000748113911 1067650026 /nfs/dbraw/zinc/65/00/26/1067650026.db2.gz NCRCVGCYSCVVPL-UHFFFAOYSA-N 1 2 453.565 -0.849 20 0 JBADLO O=C(CCNC(=O)C1=NN([C@H]2CCS(=O)(=O)C2)C(=O)CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000748241856 1069109190 /nfs/dbraw/zinc/10/91/90/1069109190.db2.gz LBXOBKXCNSSPEJ-INIZCTEOSA-N 1 2 476.559 -0.598 20 0 JBADLO O=C(CCNC(=O)C1=NN([C@@H]2CCS(=O)(=O)C2)C(=O)CC1)N1CCN(c2cccc[nH+]2)CC1 ZINC000748241857 1069109361 /nfs/dbraw/zinc/10/93/61/1069109361.db2.gz LBXOBKXCNSSPEJ-MRXNPFEDSA-N 1 2 476.559 -0.598 20 0 JBADLO CCOC(=O)N1CCN(S(=O)(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC000748314939 1069110155 /nfs/dbraw/zinc/11/01/55/1069110155.db2.gz JZKBTKMJWNBGDG-UHFFFAOYSA-N 1 2 454.553 -0.271 20 0 JBADLO COc1cc(C)c(C[NH+]2CCN(C(=O)COC(=O)Cn3cc(S(N)(=O)=O)cn3)CC2)cc1OC ZINC000748421951 1069111455 /nfs/dbraw/zinc/11/14/55/1069111455.db2.gz LIGNRSCXPMJDNW-UHFFFAOYSA-N 1 2 495.558 -0.256 20 0 JBADLO Cc1cc(N2CCN(C(=O)COC(=O)Cn3cc(S(N)(=O)=O)cn3)CC2)nc(C(C)C)[nH+]1 ZINC000748422404 1069111196 /nfs/dbraw/zinc/11/11/96/1069111196.db2.gz OPCPTFDDUQNQEX-UHFFFAOYSA-N 1 2 465.536 -0.356 20 0 JBADLO NS(=O)(=O)c1cnn(CC(=O)OCC(=O)NCc2ccccc2C[NH+]2CCOCC2)c1 ZINC000748430223 1069112227 /nfs/dbraw/zinc/11/22/27/1069112227.db2.gz VFGUAWMXOVKJFV-UHFFFAOYSA-N 1 2 451.505 -0.778 20 0 JBADLO O=C(NCCC(=O)N1CCN(c2cccc[nH+]2)CC1)NCCS(=O)(=O)N1CCOCC1 ZINC000748463032 1069113655 /nfs/dbraw/zinc/11/36/55/1069113655.db2.gz VUJJYPVUZPQCMS-UHFFFAOYSA-N 1 2 454.553 -0.919 20 0 JBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)COC(=O)c2cccc(CS(N)(=O)=O)c2)CC1 ZINC000748972916 1069117878 /nfs/dbraw/zinc/11/78/78/1069117878.db2.gz KFDKGLLVSOAXPO-UHFFFAOYSA-N 1 2 473.515 -0.343 20 0 JBADLO Cn1c2ncn(CC(=O)OCC(=O)NCc3ccccc3C[NH+]3CCOCC3)c2c(=O)n(C)c1=O ZINC000749034635 1069119066 /nfs/dbraw/zinc/11/90/66/1069119066.db2.gz LFFXIIKEWFJOPA-UHFFFAOYSA-N 1 2 484.513 -0.875 20 0 JBADLO NS(=O)(=O)c1cnn(CCC(=O)OCC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)c1 ZINC000749323030 1069159278 /nfs/dbraw/zinc/15/92/78/1069159278.db2.gz CFGJPGLLOQDJOE-UHFFFAOYSA-N 1 2 477.543 -0.257 20 0 JBADLO NS(=O)(=O)c1cnn(CCC(=O)OCC(=O)Nc2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000749324616 1069159058 /nfs/dbraw/zinc/15/90/58/1069159058.db2.gz KPYSDMXMKQKWPR-UHFFFAOYSA-N 1 2 451.505 -0.065 20 0 JBADLO O=C(NCCN1C(=O)CSC1=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC000749702565 1069166392 /nfs/dbraw/zinc/16/63/92/1069166392.db2.gz NIRJCBCDLXQDOA-UHFFFAOYSA-N 1 2 456.550 -0.472 20 0 JBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)COC(=O)COc2ccc(S(N)(=O)=O)cc2)CC1 ZINC000750174443 1069169892 /nfs/dbraw/zinc/16/98/92/1069169892.db2.gz QFUNQKJYQGDAHZ-UHFFFAOYSA-N 1 2 489.514 -0.719 20 0 JBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)COC(=O)C2(S(C)(=O)=O)CCCC2)CC1 ZINC000750270622 1069170784 /nfs/dbraw/zinc/17/07/84/1069170784.db2.gz XDGQEVGQUFUNAJ-UHFFFAOYSA-N 1 2 450.521 -0.088 20 0 JBADLO CC(=O)[C@@H]1CC(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)=NN1c1ccccc1 ZINC000750864064 1069176793 /nfs/dbraw/zinc/17/67/93/1069176793.db2.gz HVDYTADSECTCRS-FQEVSTJZSA-N 1 2 462.576 -0.153 20 0 JBADLO CC(=O)[C@H]1CC(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)=NN1c1ccccc1 ZINC000750864130 1069177032 /nfs/dbraw/zinc/17/70/32/1069177032.db2.gz HVDYTADSECTCRS-HXUWFJFHSA-N 1 2 462.576 -0.153 20 0 JBADLO CC(C)(CNC(=O)CN1C(=O)N[C@@](C)(c2ccc(-n3cnnn3)cc2)C1=O)[NH+]1CCOCC1 ZINC000750965262 1069177863 /nfs/dbraw/zinc/17/78/63/1069177863.db2.gz HRZLBQSCSGPVQT-NRFANRHFSA-N 1 2 456.507 -0.344 20 0 JBADLO CC(C)(CNC(=O)CN1C(=O)N[C@](C)(c2ccc(-n3cnnn3)cc2)C1=O)[NH+]1CCOCC1 ZINC000750965271 1069177837 /nfs/dbraw/zinc/17/78/37/1069177837.db2.gz HRZLBQSCSGPVQT-OAQYLSRUSA-N 1 2 456.507 -0.344 20 0 JBADLO Cn1c2ncn(CCC(=O)OCC(=O)NCc3ccccc3C[NH+]3CCOCC3)c2c(=O)n(C)c1=O ZINC000792638685 1068516724 /nfs/dbraw/zinc/51/67/24/1068516724.db2.gz QUVPFZIHMFDGLN-UHFFFAOYSA-N 1 2 498.540 -0.484 20 0 JBADLO Cn1c2ncn(CCC(=O)OCC(=O)N3CC[NH+](Cc4cccs4)CC3)c2c(=O)n(C)c1=O ZINC000792639706 1068516810 /nfs/dbraw/zinc/51/68/10/1068516810.db2.gz ZRDHNZFHYQWGLI-UHFFFAOYSA-N 1 2 474.543 -0.227 20 0 JBADLO Cn1cc(/C=C/C(=O)OCC(=O)NCc2ccccc2C[NH+]2CCOCC2)c(=O)n(C)c1=O ZINC000807648451 1068526753 /nfs/dbraw/zinc/52/67/53/1068526753.db2.gz LQFIXDWXYQCBCR-BQYQJAHWSA-N 1 2 456.499 -0.211 20 0 JBADLO Cn1cc(/C=C\C(=O)OCC(=O)NCc2ccccc2C[NH+]2CCOCC2)c(=O)n(C)c1=O ZINC000807648452 1068526668 /nfs/dbraw/zinc/52/66/68/1068526668.db2.gz LQFIXDWXYQCBCR-FPLPWBNLSA-N 1 2 456.499 -0.211 20 0 JBADLO Cn1cnc2c1c(=O)n(CC(=O)OCC(=O)NCc1ccccc1C[NH+]1CCOCC1)c(=O)n2C ZINC000808819385 1068528511 /nfs/dbraw/zinc/52/85/11/1068528511.db2.gz CUXNCGFTDKFULG-UHFFFAOYSA-N 1 2 484.513 -0.875 20 0 JBADLO Cn1cnc2c1c(=O)n(CC(=O)OCC(=O)N1CC[NH+](Cc3cccs3)CC1)c(=O)n2C ZINC000808819742 1068528591 /nfs/dbraw/zinc/52/85/91/1068528591.db2.gz IHKOCAGKNNVYHH-UHFFFAOYSA-N 1 2 460.516 -0.617 20 0 JBADLO O=C(CC[NH+]1CCN(C(=O)C(=O)N2CCOCC2)CC1)Nc1ccccc1C(=O)NC1CC1 ZINC000813744644 1068538906 /nfs/dbraw/zinc/53/89/06/1068538906.db2.gz RIBWOAHKLNNLAQ-UHFFFAOYSA-N 1 2 457.531 -0.090 20 0 JBADLO O=C(CC[NH+]1CCN(C(=O)C(=O)N2CCOCC2)CC1)Nc1ccc(N2CCOCC2)cc1 ZINC000813745023 1068539207 /nfs/dbraw/zinc/53/92/07/1068539207.db2.gz ZVKMMFMEVFOJHO-UHFFFAOYSA-N 1 2 459.547 -0.145 20 0 JBADLO COC(=O)[C@@H](F)C(NCc1ccccc1C[NH+]1CCOCC1)=C1C(=O)NC(=S)NC1=O ZINC000814335327 1068540326 /nfs/dbraw/zinc/54/03/26/1068540326.db2.gz IDTGDPODEKKZRT-HNNXBMFYSA-N 1 2 450.492 -0.096 20 0 JBADLO COC(=O)[C@H](F)C(NCc1ccccc1C[NH+]1CCOCC1)=C1C(=O)NC(=S)NC1=O ZINC000814335328 1068540603 /nfs/dbraw/zinc/54/06/03/1068540603.db2.gz IDTGDPODEKKZRT-OAHLLOKOSA-N 1 2 450.492 -0.096 20 0 JBADLO COC(=O)[C@H](F)C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)=C1C(=O)NC(=S)NC1=O ZINC000814342474 1068541137 /nfs/dbraw/zinc/54/11/37/1068541137.db2.gz FQBOTLJJWXWLQH-DZGCQCFKSA-N 1 2 450.492 -0.227 20 0 JBADLO COC(=O)[C@H](F)C(NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)=C1C(=O)NC(=S)NC1=O ZINC000814342474 1068541125 /nfs/dbraw/zinc/54/11/25/1068541125.db2.gz FQBOTLJJWXWLQH-DZGCQCFKSA-N 1 2 450.492 -0.227 20 0 JBADLO COC(=O)[C@@H](F)C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)=C1C(=O)NC(=S)NC1=O ZINC000814342475 1068541395 /nfs/dbraw/zinc/54/13/95/1068541395.db2.gz FQBOTLJJWXWLQH-HIFRSBDPSA-N 1 2 450.492 -0.227 20 0 JBADLO COC(=O)[C@@H](F)C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)=C1C(=O)NC(=S)NC1=O ZINC000814342475 1068541392 /nfs/dbraw/zinc/54/13/92/1068541392.db2.gz FQBOTLJJWXWLQH-HIFRSBDPSA-N 1 2 450.492 -0.227 20 0 JBADLO COC(=O)[C@H](F)C(NC[C@@H]1C[N@@H+](Cc2ccccc2)CCO1)=C1C(=O)NC(=S)NC1=O ZINC000814342477 1068540978 /nfs/dbraw/zinc/54/09/78/1068540978.db2.gz FQBOTLJJWXWLQH-UKRRQHHQSA-N 1 2 450.492 -0.227 20 0 JBADLO COC(=O)[C@H](F)C(NC[C@@H]1C[N@H+](Cc2ccccc2)CCO1)=C1C(=O)NC(=S)NC1=O ZINC000814342477 1068540969 /nfs/dbraw/zinc/54/09/69/1068540969.db2.gz FQBOTLJJWXWLQH-UKRRQHHQSA-N 1 2 450.492 -0.227 20 0 JBADLO COC(=O)[C@@H](F)C(NC[C@H]1C[N@@H+](Cc2ccccc2)CCO1)=C1C(=O)NC(=S)NC1=O ZINC000814342479 1068541260 /nfs/dbraw/zinc/54/12/60/1068541260.db2.gz FQBOTLJJWXWLQH-ZFWWWQNUSA-N 1 2 450.492 -0.227 20 0 JBADLO COC(=O)[C@@H](F)C(NC[C@H]1C[N@H+](Cc2ccccc2)CCO1)=C1C(=O)NC(=S)NC1=O ZINC000814342479 1068541250 /nfs/dbraw/zinc/54/12/50/1068541250.db2.gz FQBOTLJJWXWLQH-ZFWWWQNUSA-N 1 2 450.492 -0.227 20 0 JBADLO COC(=O)[C@H](F)C(NCCCN1CC[NH+](C)CC1)=C1C(=O)NC(=S)N(CC(C)C)C1=O ZINC000814399913 1068542588 /nfs/dbraw/zinc/54/25/88/1068542588.db2.gz UHQMUOBCKVCPHT-DPEHCCBOSA-N 1 2 457.572 -0.122 20 0 JBADLO COC(=O)[C@@H](F)C(NCCCN1CC[NH+](C)CC1)=C1C(=O)NC(=S)N(CC(C)C)C1=O ZINC000814399914 1068542635 /nfs/dbraw/zinc/54/26/35/1068542635.db2.gz UHQMUOBCKVCPHT-IDTYTIONSA-N 1 2 457.572 -0.122 20 0 JBADLO COC(=O)[C@@H](F)C(NCCCN1CC[NH+](C)CC1)=C1C(=O)NC(=S)N(CC(C)C)C1=O ZINC000814399915 1068542821 /nfs/dbraw/zinc/54/28/21/1068542821.db2.gz UHQMUOBCKVCPHT-RIBQPWQFSA-N 1 2 457.572 -0.122 20 0 JBADLO COC(=O)[C@H](F)C(NCCCN1CC[NH+](C)CC1)=C1C(=O)NC(=S)N(CC(C)C)C1=O ZINC000814399916 1068542742 /nfs/dbraw/zinc/54/27/42/1068542742.db2.gz UHQMUOBCKVCPHT-VZHUHSAUSA-N 1 2 457.572 -0.122 20 0 JBADLO CN1CCN(S(=O)(=O)c2ccc(NNC(=S)NCCC[NH+]3CCOCC3)nc2)CC1 ZINC000818269294 1068550610 /nfs/dbraw/zinc/55/06/10/1068550610.db2.gz NMLJFXPUVSALLR-UHFFFAOYSA-N 1 2 457.626 -0.469 20 0 JBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)COC(=O)c2ccc(S(N)(=O)=O)cc2)CC1 ZINC000820856808 1068557884 /nfs/dbraw/zinc/55/78/84/1068557884.db2.gz QVYKMCSYBNZURJ-UHFFFAOYSA-N 1 2 459.488 -0.484 20 0 JBADLO COc1ccc(C(=O)OCC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)cc1S(N)(=O)=O ZINC000820862808 1068557677 /nfs/dbraw/zinc/55/76/77/1068557677.db2.gz QKLNJTPUEGULJH-UHFFFAOYSA-N 1 2 489.514 -0.475 20 0 JBADLO CNS(=O)(=O)c1ccc(F)c(C(=O)OCC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)c1 ZINC000820897855 1068557930 /nfs/dbraw/zinc/55/79/30/1068557930.db2.gz BGLLCJIJXBVIAM-UHFFFAOYSA-N 1 2 491.505 -0.084 20 0 JBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)COC(=O)CN2C(=O)c3ccccc3C2=O)CC1 ZINC000823908082 1068564149 /nfs/dbraw/zinc/56/41/49/1068564149.db2.gz GRILPLOABNGGMS-UHFFFAOYSA-N 1 2 463.454 -0.149 20 0 JBADLO COc1ccc(C(=O)NCC(=O)OCC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)cc1 ZINC000825384737 1068569930 /nfs/dbraw/zinc/56/99/30/1068569930.db2.gz IZQJOZISUWKAGL-UHFFFAOYSA-N 1 2 467.486 -0.006 20 0 JBADLO Cc1ccc(S(=O)(=O)NCC(=O)OCC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)cc1 ZINC000827185200 1069122127 /nfs/dbraw/zinc/12/21/27/1069122127.db2.gz OENFEPVNKZXSJM-UHFFFAOYSA-N 1 2 487.542 -0.158 20 0 JBADLO CNS(=O)(=O)c1cccc(C(=O)OCC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)c1 ZINC000827793767 1069129364 /nfs/dbraw/zinc/12/93/64/1069129364.db2.gz RUMSSVYFYOCJRH-UHFFFAOYSA-N 1 2 473.515 -0.223 20 0 JBADLO Cc1cc(C)n2nc(C(=O)OCC(=O)N3CCN(c4[nH+]cnc5c4cnn5C)CC3)nc2n1 ZINC000829534282 1069201829 /nfs/dbraw/zinc/20/18/29/1069201829.db2.gz JIRHTPNYMIVRPI-UHFFFAOYSA-N 1 2 450.463 -0.077 20 0 JBADLO 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O=C(COC(=O)C1=NC=CN2CCS(=O)(=O)N=C12)Nc1ccc(C[NH+]2CCOCC2)cc1 ZINC000833859392 1069208371 /nfs/dbraw/zinc/20/83/71/1069208371.db2.gz HZCILFBGFGOMOT-UHFFFAOYSA-N 1 2 461.500 -0.030 20 0 JBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)COC(=O)CNC(=O)COc2ccccc2)CC1 ZINC000851998463 1068974802 /nfs/dbraw/zinc/97/48/02/1068974802.db2.gz SMBHMCSFNHSPBW-UHFFFAOYSA-N 1 2 467.486 -0.250 20 0 JBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)COC(=O)C2=CC=CN3CCS(=O)(=O)N=C23)CC1 ZINC000852995638 1068975250 /nfs/dbraw/zinc/97/52/50/1068975250.db2.gz RFXWFPNLGFHPPG-UHFFFAOYSA-N 1 2 486.514 -0.947 20 0 JBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)COC(=O)CNS(=O)(=O)c2cccc(F)c2)CC1 ZINC000852997686 1068975928 /nfs/dbraw/zinc/97/59/28/1068975928.db2.gz JQCUOOBHBDTGPU-UHFFFAOYSA-N 1 2 491.505 -0.327 20 0 JBADLO CCC1(CC)NC(=O)N(CC(=O)OCC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C1=O ZINC000853211280 1068975744 /nfs/dbraw/zinc/97/57/44/1068975744.db2.gz RQJNOGCTTXGMDF-UHFFFAOYSA-N 1 2 472.506 -0.334 20 0 JBADLO 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Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)COC(=O)CCNS(=O)(=O)c2ccccc2)CC1 ZINC000855123336 1068979239 /nfs/dbraw/zinc/97/92/39/1068979239.db2.gz SQCPRFWFYSZFCR-UHFFFAOYSA-N 1 2 487.542 -0.076 20 0 JBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)COC(=O)CN2C(=O)NC3(CCCC3)C2=O)CC1 ZINC000855706472 1068980778 /nfs/dbraw/zinc/98/07/78/1068980778.db2.gz ILJMWKCXOVYPPA-UHFFFAOYSA-N 1 2 470.490 -0.580 20 0 JBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)COC(=O)CCNS(=O)(=O)c2cccs2)CC1 ZINC000855882015 1068981560 /nfs/dbraw/zinc/98/15/60/1068981560.db2.gz KBEUYBSAGNQVPU-UHFFFAOYSA-N 1 2 493.571 -0.015 20 0 JBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)COC(=O)CN2C(=O)COc3ccccc32)CC1 ZINC000856122762 1068982127 /nfs/dbraw/zinc/98/21/27/1068982127.db2.gz JQZJIQCOXNNBDO-UHFFFAOYSA-N 1 2 465.470 -0.019 20 0 JBADLO Cc1ccc(S(N)(=O)=O)cc1C(=O)OCC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000856252365 1068982003 /nfs/dbraw/zinc/98/20/03/1068982003.db2.gz LMWLYKMLESUKCZ-UHFFFAOYSA-N 1 2 473.515 -0.175 20 0 JBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)COC(=O)c2cc(S(N)(=O)=O)ccc2F)CC1 ZINC000856264489 1068981958 /nfs/dbraw/zinc/98/19/58/1068981958.db2.gz WZBDRFBIBAUDBC-UHFFFAOYSA-N 1 2 477.478 -0.345 20 0 JBADLO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[N@@H+]2Cc3cccnc3N3C[C@H](O)C[C@H]3C2)CC1 ZINC000856537514 1068985241 /nfs/dbraw/zinc/98/52/41/1068985241.db2.gz SCEUCUBYCIAWJU-RBUKOAKNSA-N 1 2 490.586 -0.025 20 0 JBADLO Cc1noc(C)c1S(=O)(=O)N1CCN(C(=O)C[N@H+]2Cc3cccnc3N3C[C@H](O)C[C@H]3C2)CC1 ZINC000856537514 1068985237 /nfs/dbraw/zinc/98/52/37/1068985237.db2.gz SCEUCUBYCIAWJU-RBUKOAKNSA-N 1 2 490.586 -0.025 20 0 JBADLO Cn1ncc2c1ncnc2N1CCN(C(=O)C[N@@H+]2Cc3cccnc3N3C[C@H](O)C[C@H]3C2)CC1 ZINC000856546479 1068985185 /nfs/dbraw/zinc/98/51/85/1068985185.db2.gz NAVLOLYDOWFTMD-ZWKOTPCHSA-N 1 2 463.546 -0.138 20 0 JBADLO Cn1ncc2c1ncnc2N1CCN(C(=O)C[N@H+]2Cc3cccnc3N3C[C@H](O)C[C@H]3C2)CC1 ZINC000856546479 1068985176 /nfs/dbraw/zinc/98/51/76/1068985176.db2.gz NAVLOLYDOWFTMD-ZWKOTPCHSA-N 1 2 463.546 -0.138 20 0 JBADLO 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Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)COC(=O)C2=CN3CCS(=O)(=O)N=C3C=C2)CC1 ZINC000857185583 1068988303 /nfs/dbraw/zinc/98/83/03/1068988303.db2.gz CGZRZYCQXRDPIN-UHFFFAOYSA-N 1 2 486.514 -0.947 20 0 JBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)COC(=O)CCN2C(=O)NC(C)(C)C2=O)CC1 ZINC000857269453 1068988941 /nfs/dbraw/zinc/98/89/41/1068988941.db2.gz SEFZWAMYOWMZNW-UHFFFAOYSA-N 1 2 458.479 -0.724 20 0 JBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)COC(=O)CCN2C(=O)NC3(CCCC3)C2=O)CC1 ZINC000857269583 1068988801 /nfs/dbraw/zinc/98/88/01/1068988801.db2.gz BMJKGHNONVGXJZ-UHFFFAOYSA-N 1 2 484.517 -0.190 20 0 JBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)COC(=O)CN2C(=O)c3ccccc3S2(=O)=O)CC1 ZINC000857431577 1068990622 /nfs/dbraw/zinc/99/06/22/1068990622.db2.gz MZCGPGOERHYAFM-UHFFFAOYSA-N 1 2 499.509 -0.600 20 0 JBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)COC(=O)c2ccc(CN3C(=O)CNC3=O)cc2)CC1 ZINC000857439482 1068990561 /nfs/dbraw/zinc/99/05/61/1068990561.db2.gz AOIBQMYJLIHONW-UHFFFAOYSA-N 1 2 492.496 -0.079 20 0 JBADLO CN1CC(=O)N(CCCC(=O)OCC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)C1=O ZINC000857575708 1068991186 /nfs/dbraw/zinc/99/11/86/1068991186.db2.gz RRMLMMSRVRXGCF-UHFFFAOYSA-N 1 2 458.479 -0.771 20 0 JBADLO CNS(=O)(=O)c1ccc(C(=O)OCC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)cc1 ZINC000857680038 1068991121 /nfs/dbraw/zinc/99/11/21/1068991121.db2.gz KSTJDSLZUWCIQM-UHFFFAOYSA-N 1 2 473.515 -0.223 20 0 JBADLO CCS(=O)(=O)N1CCC(C(=O)OCC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)CC1 ZINC000857705360 1068991030 /nfs/dbraw/zinc/99/10/30/1068991030.db2.gz XIIDTQWDQGYYHS-UHFFFAOYSA-N 1 2 479.563 -0.383 20 0 JBADLO Cc1noc(C)c1S(=O)(=O)NCC(=O)OCC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1 ZINC000857710275 1068991766 /nfs/dbraw/zinc/99/17/66/1068991766.db2.gz YATQYWHIKPILJP-UHFFFAOYSA-N 1 2 492.518 -0.862 20 0 JBADLO COc1cc(C(=O)OCC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)ccc1OCC(N)=O ZINC000857756532 1068991676 /nfs/dbraw/zinc/99/16/76/1068991676.db2.gz CHLVKEPGWUYBKB-UHFFFAOYSA-N 1 2 483.485 -0.258 20 0 JBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)COC(=O)COc2ccccc2C(N)=O)CC1 ZINC000857757490 1068991638 /nfs/dbraw/zinc/99/16/38/1068991638.db2.gz IDTCWIQLGUJYQN-UHFFFAOYSA-N 1 2 453.459 -0.267 20 0 JBADLO Cc1cc(C)n(-c2nnc(SCC(=O)N3CCN(c4[nH+]cnc5c4cnn5C)CC3)n2N)n1 ZINC000857759558 1068991749 /nfs/dbraw/zinc/99/17/49/1068991749.db2.gz LBPOXTBPYVMRJD-UHFFFAOYSA-N 1 2 468.551 -0.088 20 0 JBADLO Cc1ccc(C(=O)OCC(=O)N2CCN(c3[nH+]cnc4c3cnn4C)CC2)cc1S(N)(=O)=O ZINC000857760527 1068991703 /nfs/dbraw/zinc/99/17/03/1068991703.db2.gz XNNZAPNBVCFQJH-UHFFFAOYSA-N 1 2 473.515 -0.175 20 0 JBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)COC(=O)c2ccc(OCC(N)=O)cc2)CC1 ZINC000857827162 1068991780 /nfs/dbraw/zinc/99/17/80/1068991780.db2.gz CJPXIVIWNWYGAY-UHFFFAOYSA-N 1 2 453.459 -0.267 20 0 JBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)COC(=O)Cn2nnc3ccccc3c2=O)CC1 ZINC000857835177 1068992243 /nfs/dbraw/zinc/99/22/43/1068992243.db2.gz KQUMSPKWKJDNAV-UHFFFAOYSA-N 1 2 463.458 -0.640 20 0 JBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)COC(=O)c2ccccc2OCC(N)=O)CC1 ZINC000857836113 1068992210 /nfs/dbraw/zinc/99/22/10/1068992210.db2.gz KOTPHYBZVZFJBY-UHFFFAOYSA-N 1 2 453.459 -0.267 20 0 JBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)COC(=O)CCn2nnc3ccccc3c2=O)CC1 ZINC000857836869 1068992299 /nfs/dbraw/zinc/99/22/99/1068992299.db2.gz OJIBYFVXADMCPX-UHFFFAOYSA-N 1 2 477.485 -0.250 20 0 JBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)COC(=O)c2csc(S(N)(=O)=O)c2)CC1 ZINC000857839312 1068992721 /nfs/dbraw/zinc/99/27/21/1068992721.db2.gz DKDUUWMOCOSEEZ-UHFFFAOYSA-N 1 2 465.517 -0.422 20 0 JBADLO Cn1cc(S(N)(=O)=O)cc1C(=O)OCC(=O)NCc1ccccc1C[NH+]1CCOCC1 ZINC000857842625 1068993292 /nfs/dbraw/zinc/99/32/92/1068993292.db2.gz ANLKCDSEQAQKIT-UHFFFAOYSA-N 1 2 450.517 -0.022 20 0 JBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)COC(=O)Cn2c(=O)[nH]c(=O)c3ccccc32)CC1 ZINC000857842709 1068993338 /nfs/dbraw/zinc/99/33/38/1068993338.db2.gz ATPBIMIIZQXUSC-UHFFFAOYSA-N 1 2 478.469 -0.329 20 0 JBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)COC(=O)c2sccc2S(N)(=O)=O)CC1 ZINC000857969882 1068993681 /nfs/dbraw/zinc/99/36/81/1068993681.db2.gz LHHQKPRIQFKYKT-UHFFFAOYSA-N 1 2 465.517 -0.422 20 0 JBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)COC(=O)c2cccc(CN3C(=O)CNC3=O)c2)CC1 ZINC000858279175 1068994429 /nfs/dbraw/zinc/99/44/29/1068994429.db2.gz UFRPJRZVCVSVIL-UHFFFAOYSA-N 1 2 492.496 -0.079 20 0 JBADLO CN(C)S(=O)(=O)c1ccc(Cl)c(NC(=O)CC[NH+]2CCN(S(N)(=O)=O)CC2)c1 ZINC000862530929 1068996058 /nfs/dbraw/zinc/99/60/58/1068996058.db2.gz VSLZPIKOSZKICT-UHFFFAOYSA-N 1 2 453.974 -0.260 20 0 JBADLO COc1cc(C)c(C[NH+]2CCN(C(=O)CN3CCN(S(N)(=O)=O)CC3)CC2)cc1OC ZINC000862537125 1068996553 /nfs/dbraw/zinc/99/65/53/1068996553.db2.gz SRIJGGKFCAQRGO-UHFFFAOYSA-N 1 2 455.581 -0.522 20 0 JBADLO CC(C)(CNC(=O)CN1C(=O)N[C@]2(CCS(=O)(=O)c3ccc(F)cc32)C1=O)[NH+]1CCOCC1 ZINC000897621566 1067959021 /nfs/dbraw/zinc/95/90/21/1067959021.db2.gz IOJYEEDPUUVQLS-NRFANRHFSA-N 1 2 482.534 -0.023 20 0 JBADLO 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COCCNc1nn(CN2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c(=S)s1 ZINC000915208683 1068104848 /nfs/dbraw/zinc/10/48/48/1068104848.db2.gz RDQBYDUMKPXDPJ-UHFFFAOYSA-N 1 2 451.644 -0.200 20 0 JBADLO CCn1c(N2CCOCC2)nn(CN2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1=S ZINC000915209572 1068105561 /nfs/dbraw/zinc/10/55/61/1068105561.db2.gz ZHXDMPLPNDDHHO-UHFFFAOYSA-N 1 2 474.657 -0.662 20 0 JBADLO COc1cc(C)c(C[NH+]2CCN(C(=O)COC(=O)Cn3ccc(=O)n(C)c3=O)CC2)cc1OC ZINC000915237313 1068106153 /nfs/dbraw/zinc/10/61/53/1068106153.db2.gz REGVLQCIZOSHDU-UHFFFAOYSA-N 1 2 474.514 -0.240 20 0 JBADLO O=S(=O)(CCNC(=S)NCCC[NH+]1CCOCC1)N1CCN(c2ccccn2)CC1 ZINC000915272804 1068108290 /nfs/dbraw/zinc/10/82/90/1068108290.db2.gz REXGRHPXBWEWTI-UHFFFAOYSA-N 1 2 456.638 -0.280 20 0 JBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)C1=CC=CN2CCS(=O)(=O)N=C12 ZINC000915297189 1068108800 /nfs/dbraw/zinc/10/88/00/1068108800.db2.gz LNYSXOOIWYYHHI-UHFFFAOYSA-N 1 2 480.572 -0.853 20 0 JBADLO 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CCNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc3c(c2)S(=O)(=O)N(CCOC)C3=O)CC1 ZINC000920455452 1068291143 /nfs/dbraw/zinc/29/11/43/1068291143.db2.gz GAMOXZDIHGRWNN-UHFFFAOYSA-N 1 2 452.533 -0.239 20 0 JBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)COC(=O)[C@H](CO)NC(=O)c2ccccc2)CC1 ZINC000920536949 1068291671 /nfs/dbraw/zinc/29/16/71/1068291671.db2.gz WWJINKJKJMMNGY-KRWDZBQOSA-N 1 2 467.486 -0.654 20 0 JBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)COC(=O)[C@@H](CO)NC(=O)c2ccccc2)CC1 ZINC000920536950 1068291691 /nfs/dbraw/zinc/29/16/91/1068291691.db2.gz WWJINKJKJMMNGY-QGZVFWFLSA-N 1 2 467.486 -0.654 20 0 JBADLO C[C@@H](C(=O)N(C)CC(=O)OCC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1)n1cccn1 ZINC000920542136 1068292140 /nfs/dbraw/zinc/29/21/40/1068292140.db2.gz PSYDQWCHKTYIFT-HNNXBMFYSA-N 1 2 469.506 -0.529 20 0 JBADLO C[C@H](C(=O)N(C)CC(=O)OCC(=O)N1CCN(c2[nH+]cnc3c2cnn3C)CC1)n1cccn1 ZINC000920542137 1068292330 /nfs/dbraw/zinc/29/23/30/1068292330.db2.gz PSYDQWCHKTYIFT-OAHLLOKOSA-N 1 2 469.506 -0.529 20 0 JBADLO Cn1c(C(=O)OCC(=O)NCc2ccccc2C[NH+]2CCOCC2)cc2c1n(C)c(=O)n(C)c2=O ZINC000920605664 1068294739 /nfs/dbraw/zinc/29/47/39/1068294739.db2.gz LOOHIAGXJLPEKI-UHFFFAOYSA-N 1 2 483.525 -0.119 20 0 JBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)COC(=O)c2nc(S(C)(=O)=O)n3ccccc23)CC1 ZINC000920643188 1068297836 /nfs/dbraw/zinc/29/78/36/1068297836.db2.gz PEMWWITXZPVCKE-UHFFFAOYSA-N 1 2 498.525 -0.080 20 0 JBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)COC(=O)COc2ccc(C(N)=O)cc2)CC1 ZINC000920720532 1068300205 /nfs/dbraw/zinc/30/02/05/1068300205.db2.gz YJFNGNJSISQMIH-UHFFFAOYSA-N 1 2 453.459 -0.267 20 0 JBADLO O=C(COC(=O)C1=NC=CN2CCS(=O)(=O)N=C12)NCc1ccccc1C[NH+]1CCOCC1 ZINC000923866118 1069032812 /nfs/dbraw/zinc/03/28/12/1069032812.db2.gz CILLPSSWAQTJMA-UHFFFAOYSA-N 1 2 475.527 -0.352 20 0 JBADLO O=C(COC(=O)C1=NC=CN2CCS(=O)(=O)N=C12)N1CC[NH+](Cc2cccs2)CC1 ZINC000923866796 1068222215 /nfs/dbraw/zinc/22/22/15/1068222215.db2.gz JYQXUQWQTVMMAQ-UHFFFAOYSA-N 1 2 451.530 -0.095 20 0 JBADLO CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)N1CCC[N@@H+](CC(N)=O)CC1)n2C ZINC001115984294 1069197593 /nfs/dbraw/zinc/19/75/93/1069197593.db2.gz NOSHBKTZZKWMGV-UHFFFAOYSA-N 1 2 450.565 -0.224 20 0 JBADLO CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)N1CCC[N@H+](CC(N)=O)CC1)n2C ZINC001115984294 1069197587 /nfs/dbraw/zinc/19/75/87/1069197587.db2.gz NOSHBKTZZKWMGV-UHFFFAOYSA-N 1 2 450.565 -0.224 20 0 JBADLO COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)N2CCC[N@@H+](CC(N)=O)CC2)CC1 ZINC001115989977 1069198274 /nfs/dbraw/zinc/19/82/74/1069198274.db2.gz KHDMXLNZYMTDLA-UHFFFAOYSA-N 1 2 466.560 -0.107 20 0 JBADLO COC(=O)c1ccccc1S(=O)(=O)N1CCC(C(=O)N2CCC[N@H+](CC(N)=O)CC2)CC1 ZINC001115989977 1069198262 /nfs/dbraw/zinc/19/82/62/1069198262.db2.gz KHDMXLNZYMTDLA-UHFFFAOYSA-N 1 2 466.560 -0.107 20 0 JBADLO CS(=O)(=O)c1ccc(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)cn1 ZINC001125026916 1069200575 /nfs/dbraw/zinc/20/05/75/1069200575.db2.gz QCCKRWKDMCGCGC-UHFFFAOYSA-N 1 2 453.546 -0.238 20 0 JBADLO CCOC1CC(CNC(=O)C2=NN([C@@H]3CCS(=O)(=O)C3)C(=O)CC2)([NH+]2CCOCC2)C1 ZINC001128616992 1068424780 /nfs/dbraw/zinc/42/47/80/1068424780.db2.gz PUDMKBPMNLPJIB-LSWWBPAMSA-N 1 2 456.565 -0.462 20 0 JBADLO CCOC1CC(CNC(=O)C2=NN([C@H]3CCS(=O)(=O)C3)C(=O)CC2)([NH+]2CCOCC2)C1 ZINC001128616993 1068424933 /nfs/dbraw/zinc/42/49/33/1068424933.db2.gz PUDMKBPMNLPJIB-SHPPYHEDSA-N 1 2 456.565 -0.462 20 0 JBADLO O=C(NCC1([NH+]2CCN(c3ccccc3)CC2)CCOCC1)[C@@H]1CS(=O)(=O)CC(=O)N1 ZINC001128942543 1068426597 /nfs/dbraw/zinc/42/65/97/1068426597.db2.gz GNEIOTVGYZVGTF-SFHVURJKSA-N 1 2 450.561 -0.613 20 0 JBADLO O=C(CCC(=O)N1CCN(c2cccc[nH+]2)CC1)N1CCN(C(=O)CN2CCOCC2)CC1 ZINC001135990152 1068548787 /nfs/dbraw/zinc/54/87/87/1068548787.db2.gz AYAZHSRTLCDION-UHFFFAOYSA-N 1 2 458.563 -0.487 20 0 JBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)[C@H](CC(N)=O)NC(=O)c2ccccc2F)CC1 ZINC001136093530 1068549141 /nfs/dbraw/zinc/54/91/41/1068549141.db2.gz VXDJGGAOKNQZHG-INIZCTEOSA-N 1 2 454.466 -0.175 20 0 JBADLO Cn1ncc2c1nc[nH+]c2N1CCN(C(=O)[C@@H](CC(N)=O)NC(=O)c2ccccc2F)CC1 ZINC001136093531 1068549354 /nfs/dbraw/zinc/54/93/54/1068549354.db2.gz VXDJGGAOKNQZHG-MRXNPFEDSA-N 1 2 454.466 -0.175 20 0 JBADLO CCNC(=O)C[N@H+]1CCCN(C(=O)CCNS(=O)(=O)c2ccc(NC(C)=O)cc2)CC1 ZINC001136128118 1068550238 /nfs/dbraw/zinc/55/02/38/1068550238.db2.gz BBOHIOABWHWCLX-UHFFFAOYSA-N 1 2 453.565 -0.016 20 0 JBADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)CCNS(=O)(=O)c2ccc(NC(C)=O)cc2)CC1 ZINC001136128118 1068550228 /nfs/dbraw/zinc/55/02/28/1068550228.db2.gz BBOHIOABWHWCLX-UHFFFAOYSA-N 1 2 453.565 -0.016 20 0 JBADLO Cc1ccc(C(=O)NCCC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c(O)c1 ZINC001136201302 1068552395 /nfs/dbraw/zinc/55/23/95/1068552395.db2.gz DRLHVYSPMREICL-UHFFFAOYSA-N 1 2 453.565 -0.543 20 0 JBADLO COC(=O)[C@]1(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C[C@H]1c1ccccc1 ZINC001136201615 1068552201 /nfs/dbraw/zinc/55/22/01/1068552201.db2.gz PCDMUDADIRQZCV-GHTZIAJQSA-N 1 2 450.561 -0.030 20 0 JBADLO COC(=O)[C@@]1(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C[C@@H]1c1ccccc1 ZINC001136201616 1068552047 /nfs/dbraw/zinc/55/20/47/1068552047.db2.gz PCDMUDADIRQZCV-NQIIRXRSSA-N 1 2 450.561 -0.030 20 0 JBADLO COC(=O)[C@@]1(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C[C@H]1c1ccccc1 ZINC001136201617 1068552294 /nfs/dbraw/zinc/55/22/94/1068552294.db2.gz PCDMUDADIRQZCV-RXVVDRJESA-N 1 2 450.561 -0.030 20 0 JBADLO COC(=O)[C@]1(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C[C@@H]1c1ccccc1 ZINC001136201618 1068552255 /nfs/dbraw/zinc/55/22/55/1068552255.db2.gz PCDMUDADIRQZCV-WIYYLYMNSA-N 1 2 450.561 -0.030 20 0 JBADLO C[C@H](C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC001136201663 1068552438 /nfs/dbraw/zinc/55/24/38/1068552438.db2.gz RIFJFKRPZRKXCS-INIZCTEOSA-N 1 2 458.606 -0.170 20 0 JBADLO C[C@@H](C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC001136201664 1068552341 /nfs/dbraw/zinc/55/23/41/1068552341.db2.gz RIFJFKRPZRKXCS-MRXNPFEDSA-N 1 2 458.606 -0.170 20 0 JBADLO Cc1cc(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cc(S(N)(=O)=O)c1C ZINC001136201716 1068552122 /nfs/dbraw/zinc/55/21/22/1068552122.db2.gz SYLMLWBBWFSCJT-UHFFFAOYSA-N 1 2 459.594 -0.799 20 0 JBADLO C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)CC2)C[C@H](C)O1 ZINC001136206199 1068552169 /nfs/dbraw/zinc/55/21/69/1068552169.db2.gz AZRHZWGGOXAHLF-HCXYKTFWSA-N 1 2 460.597 -0.636 20 0 JBADLO C[C@@H]1CN(S(=O)(=O)N2CCN(C(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)CC2)C[C@@H](C)O1 ZINC001136206200 1068553070 /nfs/dbraw/zinc/55/30/70/1068553070.db2.gz AZRHZWGGOXAHLF-MKXGPGLRSA-N 1 2 460.597 -0.636 20 0 JBADLO C[C@H]1CN(S(=O)(=O)N2CCN(C(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)CC2)C[C@H](C)O1 ZINC001136206201 1068552945 /nfs/dbraw/zinc/55/29/45/1068552945.db2.gz AZRHZWGGOXAHLF-OKYOBFRVSA-N 1 2 460.597 -0.636 20 0 JBADLO CS(=O)(=O)N1CCN(CCNC(=O)[C@H](Cc2c[nH+]c[nH]2)NC(=O)C2CCCCC2)CC1 ZINC001136407037 1068557814 /nfs/dbraw/zinc/55/78/14/1068557814.db2.gz KTZCLKPYEIUKLV-SFHVURJKSA-N 1 2 454.597 -0.289 20 0 JBADLO CS(=O)(=O)N1CCN(CCNC(=O)[C@H](Cc2c[nH]c[nH+]2)NC(=O)C2CCCCC2)CC1 ZINC001136407037 1068557800 /nfs/dbraw/zinc/55/78/00/1068557800.db2.gz KTZCLKPYEIUKLV-SFHVURJKSA-N 1 2 454.597 -0.289 20 0 JBADLO Cn1cc(S(N)(=O)=O)cc1C(=O)C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC001136419818 1068558747 /nfs/dbraw/zinc/55/87/47/1068558747.db2.gz RAFAYZISDBLFLQ-UHFFFAOYSA-N 1 2 450.517 -0.117 20 0 JBADLO COC1(C(=O)NCCc2ccc(OCC[NH+]3CCN(C(C)=O)CC3)cc2)CS(=O)(=O)C1 ZINC001136575699 1068560089 /nfs/dbraw/zinc/56/00/89/1068560089.db2.gz HCGRUKXTPARALI-UHFFFAOYSA-N 1 2 453.561 -0.298 20 0 JBADLO Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC001136659188 1068561403 /nfs/dbraw/zinc/56/14/03/1068561403.db2.gz WIVYFASTQHBFCI-INIZCTEOSA-N 1 2 454.597 -0.140 20 0 JBADLO Cc1nn(C)c(C)c1S(=O)(=O)N[C@@H](C)C(=O)N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC001136659188 1068561389 /nfs/dbraw/zinc/56/13/89/1068561389.db2.gz WIVYFASTQHBFCI-INIZCTEOSA-N 1 2 454.597 -0.140 20 0 JBADLO Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC001136659189 1068561238 /nfs/dbraw/zinc/56/12/38/1068561238.db2.gz WIVYFASTQHBFCI-MRXNPFEDSA-N 1 2 454.597 -0.140 20 0 JBADLO Cc1nn(C)c(C)c1S(=O)(=O)N[C@H](C)C(=O)N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC001136659189 1068561226 /nfs/dbraw/zinc/56/12/26/1068561226.db2.gz WIVYFASTQHBFCI-MRXNPFEDSA-N 1 2 454.597 -0.140 20 0 JBADLO CC(C)c1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H]2CCC[N@@H+](CC(N)=O)C2)cc1 ZINC001136672319 1068562623 /nfs/dbraw/zinc/56/26/23/1068562623.db2.gz JYVWYJCIANESNT-LMMKCTJWSA-N 1 2 452.577 0.000 20 0 JBADLO CC(C)c1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@@H]2CCC[N@H+](CC(N)=O)C2)cc1 ZINC001136672319 1068562617 /nfs/dbraw/zinc/56/26/17/1068562617.db2.gz JYVWYJCIANESNT-LMMKCTJWSA-N 1 2 452.577 0.000 20 0 JBADLO CC(C)c1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@H]2CCC[N@@H+](CC(N)=O)C2)cc1 ZINC001136672320 1068562845 /nfs/dbraw/zinc/56/28/45/1068562845.db2.gz JYVWYJCIANESNT-SCTDSRPQSA-N 1 2 452.577 0.000 20 0 JBADLO CC(C)c1ccc(S(=O)(=O)N2C[C@H](O)C[C@H]2C(=O)N[C@H]2CCC[N@H+](CC(N)=O)C2)cc1 ZINC001136672320 1068562831 /nfs/dbraw/zinc/56/28/31/1068562831.db2.gz JYVWYJCIANESNT-SCTDSRPQSA-N 1 2 452.577 0.000 20 0 JBADLO CC(C)c1ccc(S(=O)(=O)N2C[C@H](O)C[C@@H]2C(=O)N[C@H]2CCC[N@@H+](CC(N)=O)C2)cc1 ZINC001136672321 1068562664 /nfs/dbraw/zinc/56/26/64/1068562664.db2.gz JYVWYJCIANESNT-YQVWRLOYSA-N 1 2 452.577 0.000 20 0 JBADLO CC(C)c1ccc(S(=O)(=O)N2C[C@H](O)C[C@@H]2C(=O)N[C@H]2CCC[N@H+](CC(N)=O)C2)cc1 ZINC001136672321 1068562656 /nfs/dbraw/zinc/56/26/56/1068562656.db2.gz JYVWYJCIANESNT-YQVWRLOYSA-N 1 2 452.577 0.000 20 0 JBADLO CC(C)c1ccc(S(=O)(=O)N2C[C@H](O)C[C@@H]2C(=O)N[C@@H]2CCC[N@@H+](CC(N)=O)C2)cc1 ZINC001136672322 1068562572 /nfs/dbraw/zinc/56/25/72/1068562572.db2.gz JYVWYJCIANESNT-ZHALLVOQSA-N 1 2 452.577 0.000 20 0 JBADLO CC(C)c1ccc(S(=O)(=O)N2C[C@H](O)C[C@@H]2C(=O)N[C@@H]2CCC[N@H+](CC(N)=O)C2)cc1 ZINC001136672322 1068562565 /nfs/dbraw/zinc/56/25/65/1068562565.db2.gz JYVWYJCIANESNT-ZHALLVOQSA-N 1 2 452.577 0.000 20 0 JBADLO O=C(N[C@H]1CCN(CC[NH+]2CCOCC2)C1)c1sccc1S(=O)(=O)N1CCOCC1 ZINC001136743127 1068563394 /nfs/dbraw/zinc/56/33/94/1068563394.db2.gz JVRKBGFOCYEMJQ-INIZCTEOSA-N 1 2 458.606 -0.095 20 0 JBADLO O=C(N[C@@H]1CCN(CC[NH+]2CCOCC2)C1)c1sccc1S(=O)(=O)N1CCOCC1 ZINC001136743128 1068563602 /nfs/dbraw/zinc/56/36/02/1068563602.db2.gz JVRKBGFOCYEMJQ-MRXNPFEDSA-N 1 2 458.606 -0.095 20 0 JBADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@@H]1CCCN1S(=O)(=O)c1cccs1 ZINC001136947812 1068566208 /nfs/dbraw/zinc/56/62/08/1068566208.db2.gz MYAGERXNHKAPJS-CVEARBPZSA-N 1 2 456.590 -0.050 20 0 JBADLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@@H]1CCCN1S(=O)(=O)c1cccs1 ZINC001136947813 1068566062 /nfs/dbraw/zinc/56/60/62/1068566062.db2.gz MYAGERXNHKAPJS-HOTGVXAUSA-N 1 2 456.590 -0.050 20 0 JBADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@H]1CCCN1S(=O)(=O)c1cccs1 ZINC001136947814 1068566859 /nfs/dbraw/zinc/56/68/59/1068566859.db2.gz MYAGERXNHKAPJS-HZPDHXFCSA-N 1 2 456.590 -0.050 20 0 JBADLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@H]1CCCN1S(=O)(=O)c1cccs1 ZINC001136947815 1068566734 /nfs/dbraw/zinc/56/67/34/1068566734.db2.gz MYAGERXNHKAPJS-JKSUJKDBSA-N 1 2 456.590 -0.050 20 0 JBADLO CC(=O)c1ccc(S(=O)(=O)NCC(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC001136947823 1068566683 /nfs/dbraw/zinc/56/66/83/1068566683.db2.gz NJGAOJVVKYJFSQ-KRWDZBQOSA-N 1 2 452.533 -0.783 20 0 JBADLO CC(=O)c1ccc(S(=O)(=O)NCC(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC001136947824 1068566645 /nfs/dbraw/zinc/56/66/45/1068566645.db2.gz NJGAOJVVKYJFSQ-QGZVFWFLSA-N 1 2 452.533 -0.783 20 0 JBADLO C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC001137352522 1069122229 /nfs/dbraw/zinc/12/22/29/1069122229.db2.gz SWHLMWSACSUIIC-DOTOQJQBSA-N 1 2 454.549 -0.598 20 0 JBADLO C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC001137352523 1069122894 /nfs/dbraw/zinc/12/28/94/1069122894.db2.gz SWHLMWSACSUIIC-NVXWUHKLSA-N 1 2 454.549 -0.598 20 0 JBADLO C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC001137352524 1069122840 /nfs/dbraw/zinc/12/28/40/1069122840.db2.gz SWHLMWSACSUIIC-RDJZCZTQSA-N 1 2 454.549 -0.598 20 0 JBADLO C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC001137352525 1069122466 /nfs/dbraw/zinc/12/24/66/1069122466.db2.gz SWHLMWSACSUIIC-WBVHZDCISA-N 1 2 454.549 -0.598 20 0 JBADLO COC(=O)c1cc(NC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc(S(C)(=O)=O)c1 ZINC001137548035 1069200695 /nfs/dbraw/zinc/20/06/95/1069200695.db2.gz ZNVVOYVOEZBPGU-HNNXBMFYSA-N 1 2 453.517 -0.004 20 0 JBADLO COC(=O)c1cc(NC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc(S(C)(=O)=O)c1 ZINC001137548036 1069200643 /nfs/dbraw/zinc/20/06/43/1069200643.db2.gz ZNVVOYVOEZBPGU-OAHLLOKOSA-N 1 2 453.517 -0.004 20 0 JBADLO CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)NC2CC[NH+]([C@H]3CCOC3=O)CC2)s1 ZINC001137739372 1069201253 /nfs/dbraw/zinc/20/12/53/1069201253.db2.gz SWHDPAKEFVWYSN-HNNXBMFYSA-N 1 2 458.562 -0.441 20 0 JBADLO CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)NC2CC[NH+]([C@@H]3CCOC3=O)CC2)s1 ZINC001137739373 1069201416 /nfs/dbraw/zinc/20/14/16/1069201416.db2.gz SWHDPAKEFVWYSN-OAHLLOKOSA-N 1 2 458.562 -0.441 20 0 JBADLO COc1cc(C[N@H+]2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@H]3C(=O)N2CCOCC2)ccc1OCC(N)=O ZINC001138592593 1069205318 /nfs/dbraw/zinc/20/53/18/1069205318.db2.gz DSZKURFCTWINKM-MBOZVWFJSA-N 1 2 481.571 -0.347 20 0 JBADLO COc1cc(C[N@@H+]2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@H]3C(=O)N2CCOCC2)ccc1OCC(N)=O ZINC001138592593 1069205298 /nfs/dbraw/zinc/20/52/98/1069205298.db2.gz DSZKURFCTWINKM-MBOZVWFJSA-N 1 2 481.571 -0.347 20 0 JBADLO COc1cc(C[N@H+]2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@@H]3C(=O)N2CCOCC2)ccc1OCC(N)=O ZINC001138592596 1069205694 /nfs/dbraw/zinc/20/56/94/1069205694.db2.gz DSZKURFCTWINKM-SQGPQFPESA-N 1 2 481.571 -0.347 20 0 JBADLO COc1cc(C[N@@H+]2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@@H]3C(=O)N2CCOCC2)ccc1OCC(N)=O ZINC001138592596 1069205681 /nfs/dbraw/zinc/20/56/81/1069205681.db2.gz DSZKURFCTWINKM-SQGPQFPESA-N 1 2 481.571 -0.347 20 0 JBADLO COc1cc(C[N@H+]2CCOC[C@]3(CN(c4cnn(C)c4)C(=O)CO3)C2)ccc1OCC(N)=O ZINC001138593676 1069205619 /nfs/dbraw/zinc/20/56/19/1069205619.db2.gz WMWODTLIERJRFE-JOCHJYFZSA-N 1 2 459.503 -0.073 20 0 JBADLO COc1cc(C[N@@H+]2CCOC[C@]3(CN(c4cnn(C)c4)C(=O)CO3)C2)ccc1OCC(N)=O ZINC001138593676 1069205605 /nfs/dbraw/zinc/20/56/05/1069205605.db2.gz WMWODTLIERJRFE-JOCHJYFZSA-N 1 2 459.503 -0.073 20 0 JBADLO COc1cc(C[N@H+]2CCOC[C@@]3(CN(c4cnn(C)c4)C(=O)CO3)C2)ccc1OCC(N)=O ZINC001138593677 1069205402 /nfs/dbraw/zinc/20/54/02/1069205402.db2.gz WMWODTLIERJRFE-QFIPXVFZSA-N 1 2 459.503 -0.073 20 0 JBADLO COc1cc(C[N@@H+]2CCOC[C@@]3(CN(c4cnn(C)c4)C(=O)CO3)C2)ccc1OCC(N)=O ZINC001138593677 1069205391 /nfs/dbraw/zinc/20/53/91/1069205391.db2.gz WMWODTLIERJRFE-QFIPXVFZSA-N 1 2 459.503 -0.073 20 0 JBADLO COc1cc(C[N@H+]2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)ccc1OCC(N)=O ZINC001138595893 1069205582 /nfs/dbraw/zinc/20/55/82/1069205582.db2.gz CBACTYMSOZLNKT-IRXDYDNUSA-N 1 2 477.562 -0.344 20 0 JBADLO COc1cc(C[N@@H+]2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)ccc1OCC(N)=O ZINC001138595893 1069205576 /nfs/dbraw/zinc/20/55/76/1069205576.db2.gz CBACTYMSOZLNKT-IRXDYDNUSA-N 1 2 477.562 -0.344 20 0 JBADLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@@H](CNC(=O)[C@H]2CCCN2S(C)(=O)=O)CC3)CC1 ZINC001140378290 1069209047 /nfs/dbraw/zinc/20/90/47/1069209047.db2.gz VMGUSDGYLWQSNJ-DOTOQJQBSA-N 1 2 452.581 -0.627 20 0 JBADLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@H](CNC(=O)[C@H]2CCCN2S(C)(=O)=O)CC3)CC1 ZINC001140378291 1069209294 /nfs/dbraw/zinc/20/92/94/1069209294.db2.gz VMGUSDGYLWQSNJ-NVXWUHKLSA-N 1 2 452.581 -0.627 20 0 JBADLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@@H](CNC(=O)[C@@H]2CCCN2S(C)(=O)=O)CC3)CC1 ZINC001140378292 1069210013 /nfs/dbraw/zinc/21/00/13/1069210013.db2.gz VMGUSDGYLWQSNJ-RDJZCZTQSA-N 1 2 452.581 -0.627 20 0 JBADLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@H](CNC(=O)[C@@H]2CCCN2S(C)(=O)=O)CC3)CC1 ZINC001140378293 1069209851 /nfs/dbraw/zinc/20/98/51/1069209851.db2.gz VMGUSDGYLWQSNJ-WBVHZDCISA-N 1 2 452.581 -0.627 20 0 JBADLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@H](CNC(=O)CCC[C@@]2(C)NC(=O)NC2=O)CC3)CC1 ZINC001140383803 1069209949 /nfs/dbraw/zinc/20/99/49/1069209949.db2.gz HNCXRLAXEXWFMG-IVZQSRNASA-N 1 2 459.551 -0.282 20 0 JBADLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@@H](CNC(=O)CCC[C@]2(C)NC(=O)NC2=O)CC3)CC1 ZINC001140383804 1069209890 /nfs/dbraw/zinc/20/98/90/1069209890.db2.gz HNCXRLAXEXWFMG-NYHFZMIOSA-N 1 2 459.551 -0.282 20 0 JBADLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@@H](CNC(=O)CCC[C@@]2(C)NC(=O)NC2=O)CC3)CC1 ZINC001140383805 1069209798 /nfs/dbraw/zinc/20/97/98/1069209798.db2.gz HNCXRLAXEXWFMG-OYHNWAKOSA-N 1 2 459.551 -0.282 20 0 JBADLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@H](CNC(=O)CCC[C@]2(C)NC(=O)NC2=O)CC3)CC1 ZINC001140383806 1069209868 /nfs/dbraw/zinc/20/98/68/1069209868.db2.gz HNCXRLAXEXWFMG-QRQCRPRQSA-N 1 2 459.551 -0.282 20 0 JBADLO CC1=C(C(=O)NC[C@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)S(=O)(=O)CCO1 ZINC001140384602 1069209972 /nfs/dbraw/zinc/20/99/72/1069209972.db2.gz QOYJBRFKTSTBIS-HNNXBMFYSA-N 1 2 451.549 -0.374 20 0 JBADLO CC1=C(C(=O)NC[C@@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)S(=O)(=O)CCO1 ZINC001140384603 1069209705 /nfs/dbraw/zinc/20/97/05/1069209705.db2.gz QOYJBRFKTSTBIS-OAHLLOKOSA-N 1 2 451.549 -0.374 20 0 JBADLO Cc1ccc(S(=O)(=O)CCC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC001141571613 1069214065 /nfs/dbraw/zinc/21/40/65/1069214065.db2.gz BHFFHGJHMSITPJ-UHFFFAOYSA-N 1 2 458.606 -0.205 20 0 JBADLO CCc1ccc(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cc1S(C)(=O)=O ZINC001141571712 1069213871 /nfs/dbraw/zinc/21/38/71/1069213871.db2.gz GAZJIOCOEXNRKY-UHFFFAOYSA-N 1 2 458.606 -0.098 20 0 JBADLO Cn1ccnc1C[NH+]1CCC(C(=O)N2CCN(S(=O)(=O)N3CCN(C)CC3)CC2)CC1 ZINC001141571786 1069213764 /nfs/dbraw/zinc/21/37/64/1069213764.db2.gz IXKNMOVDXHSDNE-UHFFFAOYSA-N 1 2 453.613 -0.732 20 0 JBADLO O=C(CNC(=O)OCC(F)(F)F)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001141695301 1069215780 /nfs/dbraw/zinc/21/57/80/1069215780.db2.gz URAVWWQDIQPHKM-UHFFFAOYSA-N 1 2 453.443 -0.062 20 0 JBADLO COC(=O)c1cnc(C[NH+]2CCC3(CN(S(C)(=O)=O)C[C@]34CCN(C)C4=O)CC2)cn1 ZINC001141825555 1069216813 /nfs/dbraw/zinc/21/68/13/1069216813.db2.gz UIQJCUMIUKJBMR-FQEVSTJZSA-N 1 2 451.549 -0.031 20 0 JBADLO COC(=O)c1cnc(C[NH+]2CCC3(CN(S(C)(=O)=O)C[C@@]34CCN(C)C4=O)CC2)cn1 ZINC001141825556 1069216682 /nfs/dbraw/zinc/21/66/82/1069216682.db2.gz UIQJCUMIUKJBMR-HXUWFJFHSA-N 1 2 451.549 -0.031 20 0 JBADLO CC(C)NS(=O)(=O)N1CCN(C(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC001142019954 1069219230 /nfs/dbraw/zinc/21/92/30/1069219230.db2.gz SWCOMJVITDUZLG-UHFFFAOYSA-N 1 2 452.581 -0.103 20 0 JBADLO COCC(COC)[NH+]1CCN(C(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(F)cc2)CC1 ZINC001142166244 1069221982 /nfs/dbraw/zinc/22/19/82/1069221982.db2.gz YUXMXUGPDMRFJC-MJGOQNOKSA-N 1 2 459.540 -0.245 20 0 JBADLO Nc1ccn([C@@H]2O[C@H](CO)[C@@H](O)[C@H]2NC(=O)C=Cc2ccc(Cn3cc[nH+]c3)cc2)c(=O)n1 ZINC001142374697 1069224744 /nfs/dbraw/zinc/22/47/44/1069224744.db2.gz UTCFNYFDZDBCRB-IOCKFHTNSA-N 1 2 452.471 -0.238 20 0 JBADLO Cn1c2ncn(CC(=O)N3CCC4(CC3)C[N@@H+](Cc3ccoc3)CCO4)c2c(=O)n(C)c1=O ZINC001142385041 1069225436 /nfs/dbraw/zinc/22/54/36/1069225436.db2.gz QTHIJNHLTHKRJT-UHFFFAOYSA-N 1 2 456.503 -0.080 20 0 JBADLO Cn1c2ncn(CC(=O)N3CCC4(CC3)C[N@H+](Cc3ccoc3)CCO4)c2c(=O)n(C)c1=O ZINC001142385041 1069225425 /nfs/dbraw/zinc/22/54/25/1069225425.db2.gz QTHIJNHLTHKRJT-UHFFFAOYSA-N 1 2 456.503 -0.080 20 0 JBADLO Cc1nc(C[N@H+]2CCO[C@@H]3CN(C(=O)Cn4cnc5c4c(=O)n(C)c(=O)n5C)CC[C@@H]3C2)cs1 ZINC001142385296 1069226761 /nfs/dbraw/zinc/22/67/61/1069226761.db2.gz CPGZDJJKPZXYMJ-NVXWUHKLSA-N 1 2 487.586 -0.052 20 0 JBADLO Cc1nc(C[N@@H+]2CCO[C@@H]3CN(C(=O)Cn4cnc5c4c(=O)n(C)c(=O)n5C)CC[C@@H]3C2)cs1 ZINC001142385296 1069226745 /nfs/dbraw/zinc/22/67/45/1069226745.db2.gz CPGZDJJKPZXYMJ-NVXWUHKLSA-N 1 2 487.586 -0.052 20 0 JBADLO Cn1c2ncn(CC(=O)N3Cc4c[nH+]cn4C[C@@H](COc4cccnc4)C3)c2c(=O)n(C)c1=O ZINC001142385305 1069226810 /nfs/dbraw/zinc/22/68/10/1069226810.db2.gz DHOFUUQSKAQBHN-HNNXBMFYSA-N 1 2 464.486 -0.237 20 0 JBADLO Cn1c2ncn(CC(=O)N3Cc4c[nH+]cn4C[C@H](COc4cccnc4)C3)c2c(=O)n(C)c1=O ZINC001142385306 1069226958 /nfs/dbraw/zinc/22/69/58/1069226958.db2.gz DHOFUUQSKAQBHN-OAHLLOKOSA-N 1 2 464.486 -0.237 20 0 JBADLO Cn1c2ncn(CC(=O)N3CCC4(CC3)C(=O)NCC[N@@H+]4Cc3ccccc3)c2c(=O)n(C)c1=O ZINC001142385472 1069228101 /nfs/dbraw/zinc/22/81/01/1069228101.db2.gz LWWKASLKOXKPLR-UHFFFAOYSA-N 1 2 479.541 -0.573 20 0 JBADLO Cn1c2ncn(CC(=O)N3CCC4(CC3)C(=O)NCC[N@H+]4Cc3ccccc3)c2c(=O)n(C)c1=O ZINC001142385472 1069228086 /nfs/dbraw/zinc/22/80/86/1069228086.db2.gz LWWKASLKOXKPLR-UHFFFAOYSA-N 1 2 479.541 -0.573 20 0 JBADLO Cn1c2ncn(CC(=O)N3CCC4(CC3)CN(c3cccc[nH+]3)CCO4)c2c(=O)n(C)c1=O ZINC001142385536 1069228971 /nfs/dbraw/zinc/22/89/71/1069228971.db2.gz OGJKFJQXZFRTHA-UHFFFAOYSA-N 1 2 453.503 -0.273 20 0 JBADLO COC(=O)c1ccc(C[NH+]2CCN(C(=O)Cn3cnc4c3c(=O)n(C)c(=O)n4C)CC2)cc1 ZINC001142385946 1069230078 /nfs/dbraw/zinc/23/00/78/1069230078.db2.gz ZOUCOCGCFNEFFU-UHFFFAOYSA-N 1 2 454.487 -0.435 20 0 JBADLO COC(=O)C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C ZINC001142388233 1069230823 /nfs/dbraw/zinc/23/08/23/1069230823.db2.gz IZMOZPIIEVTLIC-KRWDZBQOSA-N 1 2 468.514 -0.290 20 0 JBADLO COC(=O)C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C ZINC001142388233 1069230806 /nfs/dbraw/zinc/23/08/06/1069230806.db2.gz IZMOZPIIEVTLIC-KRWDZBQOSA-N 1 2 468.514 -0.290 20 0 JBADLO COC(=O)C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C ZINC001142388235 1069231019 /nfs/dbraw/zinc/23/10/19/1069231019.db2.gz IZMOZPIIEVTLIC-QGZVFWFLSA-N 1 2 468.514 -0.290 20 0 JBADLO COC(=O)C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C ZINC001142388235 1069231005 /nfs/dbraw/zinc/23/10/05/1069231005.db2.gz IZMOZPIIEVTLIC-QGZVFWFLSA-N 1 2 468.514 -0.290 20 0 JBADLO CC(=O)NCC(=O)N1C[C@@H]([NH+]2CCN(c3ncccn3)CC2)C[C@H]1C(=O)N1CCC(F)(F)C1 ZINC001142803012 1069235814 /nfs/dbraw/zinc/23/58/14/1069235814.db2.gz JWKFOWJXTKDMSY-IRXDYDNUSA-N 1 2 465.505 -0.428 20 0 JBADLO NC(=O)CCC(=O)N1C[C@@H]([NH+]2CCN(c3ncccn3)CC2)C[C@H]1C(=O)N1CCC(F)(F)C1 ZINC001142946836 1069237245 /nfs/dbraw/zinc/23/72/45/1069237245.db2.gz IHTRKAGQDRUUGJ-HOTGVXAUSA-N 1 2 465.505 -0.299 20 0 JBADLO Cc1ccc(S(=O)(=O)NCC(=O)N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)cc1 ZINC001143066223 1069238415 /nfs/dbraw/zinc/23/84/15/1069238415.db2.gz HSGFGFUMAUKFDC-UHFFFAOYSA-N 1 2 474.587 -0.021 20 0 JBADLO Cc1ccc(S(=O)(=O)NCC(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N2CCC[C@H]2C(N)=O)cc1 ZINC001143077103 1069238331 /nfs/dbraw/zinc/23/83/31/1069238331.db2.gz HZDFTSXIXYLEBV-IRXDYDNUSA-N 1 2 462.532 -0.800 20 0 JBADLO Cc1ccc(S(=O)(=O)NCC(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N2CCC[C@H]2C(N)=O)cc1 ZINC001143077103 1069238325 /nfs/dbraw/zinc/23/83/25/1069238325.db2.gz HZDFTSXIXYLEBV-IRXDYDNUSA-N 1 2 462.532 -0.800 20 0 JBADLO O=C([C@H]1CCC(=O)N1)N1C[C@@H]([NH+]2CCN(c3ncccn3)CC2)C[C@H]1C(=O)N1CCC(F)(F)C1 ZINC001143125903 1069238472 /nfs/dbraw/zinc/23/84/72/1069238472.db2.gz SWCKEUZJUBDYSU-BBWFWOEESA-N 1 2 477.516 -0.286 20 0 JBADLO O=C([C@@H]1CCC(=O)N1)N1C[C@@H]([NH+]2CCN(c3ncccn3)CC2)C[C@H]1C(=O)N1CCC(F)(F)C1 ZINC001143125904 1069238374 /nfs/dbraw/zinc/23/83/74/1069238374.db2.gz SWCKEUZJUBDYSU-ULQDDVLXSA-N 1 2 477.516 -0.286 20 0 JBADLO NC(=O)C1(C(=O)N2C[C@@H]([NH+]3CCN(c4ncccn4)CC3)C[C@H]2C(=O)N2CCC(F)(F)C2)CC1 ZINC001143158878 1069239299 /nfs/dbraw/zinc/23/92/99/1069239299.db2.gz BXWQHLZLYSWXOJ-HOTGVXAUSA-N 1 2 477.516 -0.299 20 0 JBADLO O=C([C@H]1CNC(=O)C1)N1C[C@@H]([NH+]2CCN(c3ncccn3)CC2)C[C@H]1C(=O)N1CCC(F)(F)C1 ZINC001143291890 1069239815 /nfs/dbraw/zinc/23/98/15/1069239815.db2.gz FUDNXWKVOHYJJA-IKGGRYGDSA-N 1 2 477.516 -0.428 20 0 JBADLO O=C([C@@H]1CNC(=O)C1)N1C[C@@H]([NH+]2CCN(c3ncccn3)CC2)C[C@H]1C(=O)N1CCC(F)(F)C1 ZINC001143291892 1069239914 /nfs/dbraw/zinc/23/99/14/1069239914.db2.gz FUDNXWKVOHYJJA-ULQDDVLXSA-N 1 2 477.516 -0.428 20 0 JBADLO CCS(=O)(=O)c1ccc(CC(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N2CCC[C@H]2C(N)=O)cc1 ZINC001143722175 1068571564 /nfs/dbraw/zinc/57/15/64/1068571564.db2.gz LTVGZMWJXRJVID-ROUUACIJSA-N 1 2 461.544 -0.050 20 0 JBADLO CCS(=O)(=O)c1ccc(CC(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N2CCC[C@H]2C(N)=O)cc1 ZINC001143722175 1068571558 /nfs/dbraw/zinc/57/15/58/1068571558.db2.gz LTVGZMWJXRJVID-ROUUACIJSA-N 1 2 461.544 -0.050 20 0 JBADLO CNC(=O)/C=C/C(=O)N1C[C@@H]([NH+]2CCN(c3ncccn3)CC2)C[C@H]1C(=O)N1CCC(F)(F)C1 ZINC001144082739 1068575172 /nfs/dbraw/zinc/57/51/72/1068575172.db2.gz IVEMAKDSCHHXCL-RYTMFUSVSA-N 1 2 477.516 -0.262 20 0 JBADLO CCc1c(C(=O)N2CCC[N@@H+](CC(=O)N3CCCC3)CC2)cnc2c1c(=O)n(C)c(=O)n2C ZINC001144284861 1068576712 /nfs/dbraw/zinc/57/67/12/1068576712.db2.gz DSXLQYAHPAEEIT-UHFFFAOYSA-N 1 2 456.547 -0.035 20 0 JBADLO CCc1c(C(=O)N2CCC[N@H+](CC(=O)N3CCCC3)CC2)cnc2c1c(=O)n(C)c(=O)n2C ZINC001144284861 1068576699 /nfs/dbraw/zinc/57/66/99/1068576699.db2.gz DSXLQYAHPAEEIT-UHFFFAOYSA-N 1 2 456.547 -0.035 20 0 JBADLO COCCOCC[NH+]1CCN(C(=O)[C@@H]2CCCC[C@@H]2C(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001144290941 1068576355 /nfs/dbraw/zinc/57/63/55/1068576355.db2.gz DAXYGHORQZKZRF-CEXWTWQISA-N 1 2 459.609 -0.097 20 0 JBADLO COCCOCC[NH+]1CCN(C(=O)[C@@H]2CCCC[C@@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)CC1 ZINC001144290942 1068576618 /nfs/dbraw/zinc/57/66/18/1068576618.db2.gz DAXYGHORQZKZRF-GBESFXJTSA-N 1 2 459.609 -0.097 20 0 JBADLO COCCOCC[NH+]1CCN(C(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001144290943 1068576822 /nfs/dbraw/zinc/57/68/22/1068576822.db2.gz DAXYGHORQZKZRF-GUDVDZBRSA-N 1 2 459.609 -0.097 20 0 JBADLO COCCOCC[NH+]1CCN(C(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)CC1 ZINC001144290944 1068576804 /nfs/dbraw/zinc/57/68/04/1068576804.db2.gz DAXYGHORQZKZRF-IPMKNSEASA-N 1 2 459.609 -0.097 20 0 JBADLO COCCOCC[NH+]1CCN(C(=O)c2ccc(S(=O)(=O)N3CCNC(=O)C3)cc2)CC1 ZINC001144291928 1068576490 /nfs/dbraw/zinc/57/64/90/1068576490.db2.gz VKXAZVSYUAOHBC-UHFFFAOYSA-N 1 2 454.549 -0.772 20 0 JBADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)[C@H](CC(N)=O)NC(=O)Cc2cccc(F)c2)CC1 ZINC001144408222 1068578758 /nfs/dbraw/zinc/57/87/58/1068578758.db2.gz AWNUDDIELWTPSE-KRWDZBQOSA-N 1 2 456.540 -0.646 20 0 JBADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)[C@@H](CC(N)=O)NC(=O)Cc2cccc(F)c2)CC1 ZINC001144408223 1068578363 /nfs/dbraw/zinc/57/83/63/1068578363.db2.gz AWNUDDIELWTPSE-QGZVFWFLSA-N 1 2 456.540 -0.646 20 0 JBADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)[C@H](CC(N)=O)NC(=O)c2ccccc2Cl)CC1 ZINC001144409381 1068578569 /nfs/dbraw/zinc/57/85/69/1068578569.db2.gz PKXJFEPLIVXDSQ-INIZCTEOSA-N 1 2 458.968 -0.061 20 0 JBADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)[C@@H](CC(N)=O)NC(=O)c2ccccc2Cl)CC1 ZINC001144409383 1068578694 /nfs/dbraw/zinc/57/86/94/1068578694.db2.gz PKXJFEPLIVXDSQ-MRXNPFEDSA-N 1 2 458.968 -0.061 20 0 JBADLO CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)N[C@H]1CCC[N@@H+](CC(N)=O)C1)n2C ZINC001144428742 1068578729 /nfs/dbraw/zinc/57/87/29/1068578729.db2.gz AYKWAZBZBMOUQX-AWEZNQCLSA-N 1 2 450.565 -0.178 20 0 JBADLO CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)N[C@H]1CCC[N@H+](CC(N)=O)C1)n2C ZINC001144428742 1068578717 /nfs/dbraw/zinc/57/87/17/1068578717.db2.gz AYKWAZBZBMOUQX-AWEZNQCLSA-N 1 2 450.565 -0.178 20 0 JBADLO CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)N[C@@H]1CCC[N@@H+](CC(N)=O)C1)n2C ZINC001144428743 1068578425 /nfs/dbraw/zinc/57/84/25/1068578425.db2.gz AYKWAZBZBMOUQX-CQSZACIVSA-N 1 2 450.565 -0.178 20 0 JBADLO CN(C)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)N[C@@H]1CCC[N@H+](CC(N)=O)C1)n2C ZINC001144428743 1068578410 /nfs/dbraw/zinc/57/84/10/1068578410.db2.gz AYKWAZBZBMOUQX-CQSZACIVSA-N 1 2 450.565 -0.178 20 0 JBADLO COC(=O)[C@H](CCC(=O)N1Cc2ncn(C)c2[C@@H](COCC[NH+]2CCOCC2)C1)NC(C)=O ZINC001144956949 1068592583 /nfs/dbraw/zinc/59/25/83/1068592583.db2.gz HAULCYDGVYGHLT-MSOLQXFVSA-N 1 2 465.551 -0.347 20 0 JBADLO COC(=O)[C@H](CCC(=O)N1Cc2ncn(C)c2[C@H](COCC[NH+]2CCOCC2)C1)NC(C)=O ZINC001144956950 1068592613 /nfs/dbraw/zinc/59/26/13/1068592613.db2.gz HAULCYDGVYGHLT-ROUUACIJSA-N 1 2 465.551 -0.347 20 0 JBADLO C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCc2c(C(=O)N3CC[NH+](C)CC3)nn(C)c2C1 ZINC001145097200 1068594340 /nfs/dbraw/zinc/59/43/40/1068594340.db2.gz ZWDUAZFJFYFUBZ-PBHICJAKSA-N 1 2 464.567 -0.034 20 0 JBADLO C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001145106841 1068595642 /nfs/dbraw/zinc/59/56/42/1068595642.db2.gz OHWGMZFVZYSUGO-UNQGMJICSA-N 1 2 452.512 -0.813 20 0 JBADLO C[C@@H](O)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001145106841 1068595630 /nfs/dbraw/zinc/59/56/30/1068595630.db2.gz OHWGMZFVZYSUGO-UNQGMJICSA-N 1 2 452.512 -0.813 20 0 JBADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)[C@](C)(CO)NC(=O)OC(C)(C)C)CC2 ZINC001145110204 1068595692 /nfs/dbraw/zinc/59/56/92/1068595692.db2.gz ORJKXFLRYJYQRE-QFIPXVFZSA-N 1 2 464.567 -0.032 20 0 JBADLO CN(C)C(=O)CS(=O)(=O)c1ccc(C(=O)N[C@@H]2CCN(CC[NH+]3CCOCC3)C2)cc1 ZINC001146195860 1068598879 /nfs/dbraw/zinc/59/88/79/1068598879.db2.gz FNCJHZFLULXZEB-GOSISDBHSA-N 1 2 452.577 -0.315 20 0 JBADLO CN(C)C(=O)CS(=O)(=O)c1ccc(C(=O)N[C@H]2CCN(CC[NH+]3CCOCC3)C2)cc1 ZINC001146195861 1068598558 /nfs/dbraw/zinc/59/85/58/1068598558.db2.gz FNCJHZFLULXZEB-SFHVURJKSA-N 1 2 452.577 -0.315 20 0 JBADLO CC(C)(C)OC(=O)N[C@@](C)(CO)C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001146198301 1068598712 /nfs/dbraw/zinc/59/87/12/1068598712.db2.gz WFRNPPJCYQICLD-YRVVQQKDSA-N 1 2 452.512 -0.811 20 0 JBADLO CC(C)(C)OC(=O)N[C@@](C)(CO)C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001146198301 1068598700 /nfs/dbraw/zinc/59/87/00/1068598700.db2.gz WFRNPPJCYQICLD-YRVVQQKDSA-N 1 2 452.512 -0.811 20 0 JBADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)CNC(=O)CNC(=O)OC(C)(C)C)CC2 ZINC001146235947 1068603041 /nfs/dbraw/zinc/60/30/41/1068603041.db2.gz LCJLMRDSGFUJPN-UHFFFAOYSA-N 1 2 477.566 -0.667 20 0 JBADLO COC(=O)[C@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(=O)CNC(=O)CNC(=O)OC(C)(C)C ZINC001146236659 1068603549 /nfs/dbraw/zinc/60/35/49/1068603549.db2.gz SWAVSRMIXICQAK-BTYIYWSLSA-N 1 2 456.540 -0.118 20 0 JBADLO COC(=O)[C@@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(=O)CNC(=O)CNC(=O)OC(C)(C)C ZINC001146236663 1068603634 /nfs/dbraw/zinc/60/36/34/1068603634.db2.gz SWAVSRMIXICQAK-QVKFZJNVSA-N 1 2 456.540 -0.118 20 0 JBADLO COC(=O)[C@]1(C)C[C@H]([NH+]2CCOCC2)CCN1C(=O)CNC(=O)CNC(=O)OC(C)(C)C ZINC001146236665 1068603592 /nfs/dbraw/zinc/60/35/92/1068603592.db2.gz SWAVSRMIXICQAK-VFNWGFHPSA-N 1 2 456.540 -0.118 20 0 JBADLO COC(=O)[C@@]1(C)C[C@@H]([NH+]2CCOCC2)CCN1C(=O)CNC(=O)CNC(=O)OC(C)(C)C ZINC001146236666 1068603443 /nfs/dbraw/zinc/60/34/43/1068603443.db2.gz SWAVSRMIXICQAK-YCRPNKLZSA-N 1 2 456.540 -0.118 20 0 JBADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(C(=O)CNC(=O)CNC(=O)OC(C)(C)C)C2 ZINC001146237600 1068604244 /nfs/dbraw/zinc/60/42/44/1068604244.db2.gz LXHSSASDLZGTEU-KRWDZBQOSA-N 1 2 494.593 -0.164 20 0 JBADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(C(=O)CNC(=O)CNC(=O)OC(C)(C)C)C2 ZINC001146237601 1068604292 /nfs/dbraw/zinc/60/42/92/1068604292.db2.gz LXHSSASDLZGTEU-QGZVFWFLSA-N 1 2 494.593 -0.164 20 0 JBADLO CC(C)(C)OC(=O)NCC(=O)NCC(=O)N1CCCn2c(=O)cc(Cn3cc[nH+]c3)nc2C1 ZINC001146238825 1068604226 /nfs/dbraw/zinc/60/42/26/1068604226.db2.gz VJFBMDOFHXTLPN-UHFFFAOYSA-N 1 2 459.507 -0.139 20 0 JBADLO CC1(C)[C@H](C(=O)N2CCCn3c(=O)cc(Cn4cc[nH+]c4)nc3C2)N2C(=O)C[C@H]2S1(=O)=O ZINC001146254991 1068601581 /nfs/dbraw/zinc/60/15/81/1068601581.db2.gz SCPVTDOKXAQTGP-MSOLQXFVSA-N 1 2 460.516 -0.646 20 0 JBADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(C(=O)[C@@H]1N3C(=O)C[C@H]3S(=O)(=O)C1(C)C)C2 ZINC001146255369 1068602159 /nfs/dbraw/zinc/60/21/59/1068602159.db2.gz ZETMGDORXIXQTF-CVAIRZPRSA-N 1 2 495.602 -0.671 20 0 JBADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(C(=O)[C@@H]1N3C(=O)C[C@H]3S(=O)(=O)C1(C)C)C2 ZINC001146255370 1068602221 /nfs/dbraw/zinc/60/22/21/1068602221.db2.gz ZETMGDORXIXQTF-ZTNFWEORSA-N 1 2 495.602 -0.671 20 0 JBADLO CC(C)(C)OC(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]1C(N)=O)C(C)(C)O ZINC001146283041 1068605080 /nfs/dbraw/zinc/60/50/80/1068605080.db2.gz SBEBUJFEXPKKOH-SOUVJXGZSA-N 1 2 466.539 -0.423 20 0 JBADLO CC(C)(C)OC(=O)N[C@H](C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]1C(N)=O)C(C)(C)O ZINC001146283041 1068605074 /nfs/dbraw/zinc/60/50/74/1068605074.db2.gz SBEBUJFEXPKKOH-SOUVJXGZSA-N 1 2 466.539 -0.423 20 0 JBADLO CN1CC[N@@H+](C)[C@H](CNC(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1 ZINC001146375830 1068606113 /nfs/dbraw/zinc/60/61/13/1068606113.db2.gz BENYUEITTGBNKB-GOSISDBHSA-N 1 2 451.593 -0.338 20 0 JBADLO CN1CC[N@H+](C)[C@H](CNC(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1 ZINC001146375830 1068606109 /nfs/dbraw/zinc/60/61/09/1068606109.db2.gz BENYUEITTGBNKB-GOSISDBHSA-N 1 2 451.593 -0.338 20 0 JBADLO CN1CC[N@@H+](C)[C@@H](CNC(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1 ZINC001146375831 1068605847 /nfs/dbraw/zinc/60/58/47/1068605847.db2.gz BENYUEITTGBNKB-SFHVURJKSA-N 1 2 451.593 -0.338 20 0 JBADLO CN1CC[N@H+](C)[C@@H](CNC(=O)CCC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)C1 ZINC001146375831 1068605841 /nfs/dbraw/zinc/60/58/41/1068605841.db2.gz BENYUEITTGBNKB-SFHVURJKSA-N 1 2 451.593 -0.338 20 0 JBADLO CC(C)(C)OC(=O)NCCNC(=O)C=CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001146377822 1068605919 /nfs/dbraw/zinc/60/59/19/1068605919.db2.gz NDJLHJFHBLSZIF-MIVXPEEVSA-N 1 2 491.549 -0.890 20 0 JBADLO CC(C)(C)OC(=O)NCCNC(=O)C=CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001146377822 1068605912 /nfs/dbraw/zinc/60/59/12/1068605912.db2.gz NDJLHJFHBLSZIF-MIVXPEEVSA-N 1 2 491.549 -0.890 20 0 JBADLO COC(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001146400808 1068607460 /nfs/dbraw/zinc/60/74/60/1068607460.db2.gz HOLPYKLAWZVJHN-JYJNAYRXSA-N 1 2 494.549 -0.240 20 0 JBADLO COC(=O)CC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001146400808 1068607446 /nfs/dbraw/zinc/60/74/46/1068607446.db2.gz HOLPYKLAWZVJHN-JYJNAYRXSA-N 1 2 494.549 -0.240 20 0 JBADLO COC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001146400812 1068607583 /nfs/dbraw/zinc/60/75/83/1068607583.db2.gz HOLPYKLAWZVJHN-PMPSAXMXSA-N 1 2 494.549 -0.240 20 0 JBADLO COC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001146400812 1068607577 /nfs/dbraw/zinc/60/75/77/1068607577.db2.gz HOLPYKLAWZVJHN-PMPSAXMXSA-N 1 2 494.549 -0.240 20 0 JBADLO CC(=O)OCC1=C(C(=O)NC2C[NH+](C)C2)N2C(=O)[C@@H](NC(=O)Cc3cccs3)[C@H]2SC1 ZINC001146687930 1068611954 /nfs/dbraw/zinc/61/19/54/1068611954.db2.gz ZNCWTPYILJBNSW-OXQOHEQNSA-N 1 2 464.569 -0.062 20 0 JBADLO O=C(c1c[nH]c(=O)cn1)N1C[C@@H]([NH+]2CCN(c3ncccn3)CC2)C[C@H]1C(=O)N1CCC(F)(F)C1 ZINC001147622038 1068619101 /nfs/dbraw/zinc/61/91/01/1068619101.db2.gz KVLIQCLFDVCIDJ-RDJZCZTQSA-N 1 2 488.499 -0.167 20 0 JBADLO COCCNS(=O)(=O)c1cccc(C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC001147763945 1068620748 /nfs/dbraw/zinc/62/07/48/1068620748.db2.gz IKBAMAVKCKEPTA-KRWDZBQOSA-N 1 2 454.549 -0.726 20 0 JBADLO COCCNS(=O)(=O)c1cccc(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC001147763947 1068620961 /nfs/dbraw/zinc/62/09/61/1068620961.db2.gz IKBAMAVKCKEPTA-QGZVFWFLSA-N 1 2 454.549 -0.726 20 0 JBADLO Cc1ccc(S(=O)(=O)N(C)CC(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1C ZINC001147763977 1068620770 /nfs/dbraw/zinc/62/07/70/1068620770.db2.gz IYBSRTYFAKUOHI-GOSISDBHSA-N 1 2 452.577 -0.027 20 0 JBADLO Cc1ccc(S(=O)(=O)N(C)CC(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1C ZINC001147763978 1068620969 /nfs/dbraw/zinc/62/09/69/1068620969.db2.gz IYBSRTYFAKUOHI-SFHVURJKSA-N 1 2 452.577 -0.027 20 0 JBADLO O=C(CNS(=O)(=O)c1ccc(Cl)s1)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001147766081 1068620939 /nfs/dbraw/zinc/62/09/39/1068620939.db2.gz ZXTQHEAQAKJFLU-GFCCVEGCSA-N 1 2 450.970 -0.271 20 0 JBADLO O=C(CNS(=O)(=O)c1ccc(Cl)s1)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001147766083 1068620839 /nfs/dbraw/zinc/62/08/39/1068620839.db2.gz ZXTQHEAQAKJFLU-LBPRGKRZSA-N 1 2 450.970 -0.271 20 0 JBADLO Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)N2CC[NH+](CCn3cncn3)CC2)CC1 ZINC001147844007 1068623039 /nfs/dbraw/zinc/62/30/39/1068623039.db2.gz UDVHENFUZSPMDR-UHFFFAOYSA-N 1 2 450.569 -0.137 20 0 JBADLO COc1ccc(C(=O)NCC[N@H+]2CCC3(C2)OCCO3)cc1S(=O)(=O)N1CCOCC1 ZINC001148301677 1068625126 /nfs/dbraw/zinc/62/51/26/1068625126.db2.gz ZHEQFIKLFSPRJT-UHFFFAOYSA-N 1 2 455.533 -0.105 20 0 JBADLO COc1ccc(C(=O)NCC[N@@H+]2CCC3(C2)OCCO3)cc1S(=O)(=O)N1CCOCC1 ZINC001148301677 1068625120 /nfs/dbraw/zinc/62/51/20/1068625120.db2.gz ZHEQFIKLFSPRJT-UHFFFAOYSA-N 1 2 455.533 -0.105 20 0 JBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 ZINC001148373724 1068626122 /nfs/dbraw/zinc/62/61/22/1068626122.db2.gz FURDSKHHWLJTST-KBPBESRZSA-N 1 2 468.923 -0.472 20 0 JBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1ccc(Cl)c(S(N)(=O)=O)c1 ZINC001148373724 1068626113 /nfs/dbraw/zinc/62/61/13/1068626113.db2.gz FURDSKHHWLJTST-KBPBESRZSA-N 1 2 468.923 -0.472 20 0 JBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1ccc(N2C(=O)C=CC2=O)cc1 ZINC001148896033 1068626651 /nfs/dbraw/zinc/62/66/51/1068626651.db2.gz XABDYTRRZJVKHZ-IRXDYDNUSA-N 1 2 450.455 -0.344 20 0 JBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1ccc(N2C(=O)C=CC2=O)cc1 ZINC001148896033 1068626646 /nfs/dbraw/zinc/62/66/46/1068626646.db2.gz XABDYTRRZJVKHZ-IRXDYDNUSA-N 1 2 450.455 -0.344 20 0 JBADLO C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)c3cc(S(=O)(=O)[O-])ccc3O)CC2)C1=O ZINC001148919146 1068627549 /nfs/dbraw/zinc/62/75/49/1068627549.db2.gz PFSORSTXUVNEDV-UHFFFAOYSA-N 1 2 454.549 -0.051 20 0 JBADLO C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)c3cc(S(=O)(=O)[O-])ccc3O)CC2)C1=O ZINC001148919146 1068627547 /nfs/dbraw/zinc/62/75/47/1068627547.db2.gz PFSORSTXUVNEDV-UHFFFAOYSA-N 1 2 454.549 -0.051 20 0 JBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 ZINC001149202529 1069241955 /nfs/dbraw/zinc/24/19/55/1069241955.db2.gz JMAAHJRWCWAQAB-KRWDZBQOSA-N 1 2 450.561 -0.001 20 0 JBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)C1CCN(C2=NS(=O)(=O)c3ccccc32)CC1 ZINC001149202530 1069241933 /nfs/dbraw/zinc/24/19/33/1069241933.db2.gz JMAAHJRWCWAQAB-QGZVFWFLSA-N 1 2 450.561 -0.001 20 0 JBADLO CC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)N[C@@H](CO)c3c[nH+]cn3C)ccc2F)CC1 ZINC001149212755 1069241657 /nfs/dbraw/zinc/24/16/57/1069241657.db2.gz DHIMHCFCTDLYTG-INIZCTEOSA-N 1 2 453.496 -0.125 20 0 JBADLO CC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)N[C@H](CO)c3c[nH+]cn3C)ccc2F)CC1 ZINC001149212862 1069241706 /nfs/dbraw/zinc/24/17/06/1069241706.db2.gz DHIMHCFCTDLYTG-MRXNPFEDSA-N 1 2 453.496 -0.125 20 0 JBADLO O=C(NC1CCN(S(=O)(=O)C(F)(F)F)CC1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001149701313 1069243561 /nfs/dbraw/zinc/24/35/61/1069243561.db2.gz FNNRIFGRQVXRDC-CYBMUJFWSA-N 1 2 456.487 -0.403 20 0 JBADLO O=C(NC1CCN(S(=O)(=O)C(F)(F)F)CC1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001149701314 1069243544 /nfs/dbraw/zinc/24/35/44/1069243544.db2.gz FNNRIFGRQVXRDC-ZDUSSCGKSA-N 1 2 456.487 -0.403 20 0 JBADLO COc1ccc(Cn2ccnc(C(=O)N[C@@H](Cc3c[nH+]c[nH]3)C(=O)N3CCC[C@H]3C(N)=O)c2=O)cc1 ZINC001149729735 1069243349 /nfs/dbraw/zinc/24/33/49/1069243349.db2.gz XYBSENVWVIJZRY-OALUTQOASA-N 1 2 493.524 -0.159 20 0 JBADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(=O)c3nc4c(=O)[nH]c5ccccc5n4n3)C2)C1 ZINC001149829288 1069244165 /nfs/dbraw/zinc/24/41/65/1069244165.db2.gz DHKQIXPMWYMYCS-JOCHJYFZSA-N 1 2 453.503 -0.129 20 0 JBADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(=O)c3nc4c(=O)[nH]c5ccccc5n4n3)C2)C1 ZINC001149829288 1069244153 /nfs/dbraw/zinc/24/41/53/1069244153.db2.gz DHKQIXPMWYMYCS-JOCHJYFZSA-N 1 2 453.503 -0.129 20 0 JBADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(=O)c3nc4c(=O)[nH]c5ccccc5n4n3)C2)C1 ZINC001149829289 1069244434 /nfs/dbraw/zinc/24/44/34/1069244434.db2.gz DHKQIXPMWYMYCS-QFIPXVFZSA-N 1 2 453.503 -0.129 20 0 JBADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(=O)c3nc4c(=O)[nH]c5ccccc5n4n3)C2)C1 ZINC001149829289 1069244419 /nfs/dbraw/zinc/24/44/19/1069244419.db2.gz DHKQIXPMWYMYCS-QFIPXVFZSA-N 1 2 453.503 -0.129 20 0 JBADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)c1nc3c(=O)[nH]c4ccccc4n3n1)CC2 ZINC001149831072 1069244259 /nfs/dbraw/zinc/24/42/59/1069244259.db2.gz YDVCJGRQEWEBRH-UHFFFAOYSA-N 1 2 475.513 -0.110 20 0 JBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1nc2c(=O)[nH]c3ccccc3n2n1 ZINC001149841485 1069244213 /nfs/dbraw/zinc/24/42/13/1069244213.db2.gz UNJBRRXACJUZGU-ZFWWWQNUSA-N 1 2 463.458 -0.889 20 0 JBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1nc2c(=O)[nH]c3ccccc3n2n1 ZINC001149841485 1069244202 /nfs/dbraw/zinc/24/42/02/1069244202.db2.gz UNJBRRXACJUZGU-ZFWWWQNUSA-N 1 2 463.458 -0.889 20 0 JBADLO COC(=O)[C@H]1C[N@@H+](C)CCN1C(=O)c1ccc2ccc(N3CCN(S(C)(=O)=O)CC3)n2c1 ZINC001150180434 1069247178 /nfs/dbraw/zinc/24/71/78/1069247178.db2.gz LUVAMSGGNLSAIH-GOSISDBHSA-N 1 2 463.560 -0.050 20 0 JBADLO COC(=O)[C@H]1C[N@H+](C)CCN1C(=O)c1ccc2ccc(N3CCN(S(C)(=O)=O)CC3)n2c1 ZINC001150180434 1069247164 /nfs/dbraw/zinc/24/71/64/1069247164.db2.gz LUVAMSGGNLSAIH-GOSISDBHSA-N 1 2 463.560 -0.050 20 0 JBADLO COC(=O)[C@@H]1C[N@@H+](C)CCN1C(=O)c1ccc2ccc(N3CCN(S(C)(=O)=O)CC3)n2c1 ZINC001150180435 1069247070 /nfs/dbraw/zinc/24/70/70/1069247070.db2.gz LUVAMSGGNLSAIH-SFHVURJKSA-N 1 2 463.560 -0.050 20 0 JBADLO COC(=O)[C@@H]1C[N@H+](C)CCN1C(=O)c1ccc2ccc(N3CCN(S(C)(=O)=O)CC3)n2c1 ZINC001150180435 1069247061 /nfs/dbraw/zinc/24/70/61/1069247061.db2.gz LUVAMSGGNLSAIH-SFHVURJKSA-N 1 2 463.560 -0.050 20 0 JBADLO CN1CC[N@@H+](Cc2ccccn2)C[C@H]1c1nnc2ccc(C(=O)N3CC(NS(C)(=O)=O)C3)cn21 ZINC001150328062 1069248772 /nfs/dbraw/zinc/24/87/72/1069248772.db2.gz KWMWRHJNYGWLED-IBGZPJMESA-N 1 2 484.586 -0.013 20 0 JBADLO CN1CC[N@H+](Cc2ccccn2)C[C@H]1c1nnc2ccc(C(=O)N3CC(NS(C)(=O)=O)C3)cn21 ZINC001150328062 1069248765 /nfs/dbraw/zinc/24/87/65/1069248765.db2.gz KWMWRHJNYGWLED-IBGZPJMESA-N 1 2 484.586 -0.013 20 0 JBADLO CN1CC[N@@H+](Cc2ccccn2)C[C@@H]1c1nnc2ccc(C(=O)N3CC(NS(C)(=O)=O)C3)cn21 ZINC001150328064 1069248424 /nfs/dbraw/zinc/24/84/24/1069248424.db2.gz KWMWRHJNYGWLED-LJQANCHMSA-N 1 2 484.586 -0.013 20 0 JBADLO CN1CC[N@H+](Cc2ccccn2)C[C@@H]1c1nnc2ccc(C(=O)N3CC(NS(C)(=O)=O)C3)cn21 ZINC001150328064 1069248407 /nfs/dbraw/zinc/24/84/07/1069248407.db2.gz KWMWRHJNYGWLED-LJQANCHMSA-N 1 2 484.586 -0.013 20 0 JBADLO CN1CC[N@@H+](Cc2ccccn2)C[C@@H]1c1nnc2ccc(C(=O)N3CCO[C@H](C(N)=O)C3)cn21 ZINC001150329035 1069248205 /nfs/dbraw/zinc/24/82/05/1069248205.db2.gz VCYJUJJABNOCRC-MOPGFXCFSA-N 1 2 464.530 -0.061 20 0 JBADLO CN1CC[N@H+](Cc2ccccn2)C[C@@H]1c1nnc2ccc(C(=O)N3CCO[C@H](C(N)=O)C3)cn21 ZINC001150329035 1069248193 /nfs/dbraw/zinc/24/81/93/1069248193.db2.gz VCYJUJJABNOCRC-MOPGFXCFSA-N 1 2 464.530 -0.061 20 0 JBADLO CN1CC[N@@H+](Cc2ccccn2)C[C@H]1c1nnc2ccc(C(=O)N3CCO[C@H](C(N)=O)C3)cn21 ZINC001150329040 1069248865 /nfs/dbraw/zinc/24/88/65/1069248865.db2.gz VCYJUJJABNOCRC-OALUTQOASA-N 1 2 464.530 -0.061 20 0 JBADLO CN1CC[N@H+](Cc2ccccn2)C[C@H]1c1nnc2ccc(C(=O)N3CCO[C@H](C(N)=O)C3)cn21 ZINC001150329040 1069248848 /nfs/dbraw/zinc/24/88/48/1069248848.db2.gz VCYJUJJABNOCRC-OALUTQOASA-N 1 2 464.530 -0.061 20 0 JBADLO CN1CC[N@@H+](Cc2ccccn2)C[C@H]1c1nnc2ccc(C(=O)N3CCO[C@@H](C(N)=O)C3)cn21 ZINC001150329041 1069248478 /nfs/dbraw/zinc/24/84/78/1069248478.db2.gz VCYJUJJABNOCRC-RBUKOAKNSA-N 1 2 464.530 -0.061 20 0 JBADLO CN1CC[N@H+](Cc2ccccn2)C[C@H]1c1nnc2ccc(C(=O)N3CCO[C@@H](C(N)=O)C3)cn21 ZINC001150329041 1069248460 /nfs/dbraw/zinc/24/84/60/1069248460.db2.gz VCYJUJJABNOCRC-RBUKOAKNSA-N 1 2 464.530 -0.061 20 0 JBADLO CN1CC[N@@H+](Cc2ccccn2)C[C@@H]1c1nnc2ccc(C(=O)N3CCO[C@@H](C(N)=O)C3)cn21 ZINC001150329042 1069248245 /nfs/dbraw/zinc/24/82/45/1069248245.db2.gz VCYJUJJABNOCRC-RTBURBONSA-N 1 2 464.530 -0.061 20 0 JBADLO CN1CC[N@H+](Cc2ccccn2)C[C@@H]1c1nnc2ccc(C(=O)N3CCO[C@@H](C(N)=O)C3)cn21 ZINC001150329042 1069248230 /nfs/dbraw/zinc/24/82/30/1069248230.db2.gz VCYJUJJABNOCRC-RTBURBONSA-N 1 2 464.530 -0.061 20 0 JBADLO CN1CC[N@@H+](Cc2ccccn2)C[C@H]1c1nnc2ccc(C(=O)N3CC(N4CCNC(=O)C4)C3)cn21 ZINC001150329433 1069248627 /nfs/dbraw/zinc/24/86/27/1069248627.db2.gz WUKMSEVDWNWBCV-NRFANRHFSA-N 1 2 489.584 -0.131 20 0 JBADLO CN1CC[N@H+](Cc2ccccn2)C[C@H]1c1nnc2ccc(C(=O)N3CC(N4CCNC(=O)C4)C3)cn21 ZINC001150329433 1069248616 /nfs/dbraw/zinc/24/86/16/1069248616.db2.gz WUKMSEVDWNWBCV-NRFANRHFSA-N 1 2 489.584 -0.131 20 0 JBADLO CN1CC[N@@H+](Cc2ccccn2)C[C@@H]1c1nnc2ccc(C(=O)N3CC(N4CCNC(=O)C4)C3)cn21 ZINC001150329434 1069248526 /nfs/dbraw/zinc/24/85/26/1069248526.db2.gz WUKMSEVDWNWBCV-OAQYLSRUSA-N 1 2 489.584 -0.131 20 0 JBADLO CN1CC[N@H+](Cc2ccccn2)C[C@@H]1c1nnc2ccc(C(=O)N3CC(N4CCNC(=O)C4)C3)cn21 ZINC001150329434 1069248513 /nfs/dbraw/zinc/24/85/13/1069248513.db2.gz WUKMSEVDWNWBCV-OAQYLSRUSA-N 1 2 489.584 -0.131 20 0 JBADLO COC(=O)CNC(=O)CNC(=O)c1ccc2nnc([C@H]3C[N@@H+](Cc4ccccn4)CCN3C)n2c1 ZINC001150330193 1069248733 /nfs/dbraw/zinc/24/87/33/1069248733.db2.gz ADZBCFKYNUKCAQ-GOSISDBHSA-N 1 2 480.529 -0.368 20 0 JBADLO COC(=O)CNC(=O)CNC(=O)c1ccc2nnc([C@H]3C[N@H+](Cc4ccccn4)CCN3C)n2c1 ZINC001150330193 1069248718 /nfs/dbraw/zinc/24/87/18/1069248718.db2.gz ADZBCFKYNUKCAQ-GOSISDBHSA-N 1 2 480.529 -0.368 20 0 JBADLO COC(=O)CNC(=O)CNC(=O)c1ccc2nnc([C@@H]3C[N@@H+](Cc4ccccn4)CCN3C)n2c1 ZINC001150330194 1069248693 /nfs/dbraw/zinc/24/86/93/1069248693.db2.gz ADZBCFKYNUKCAQ-SFHVURJKSA-N 1 2 480.529 -0.368 20 0 JBADLO COC(=O)CNC(=O)CNC(=O)c1ccc2nnc([C@@H]3C[N@H+](Cc4ccccn4)CCN3C)n2c1 ZINC001150330194 1069248679 /nfs/dbraw/zinc/24/86/79/1069248679.db2.gz ADZBCFKYNUKCAQ-SFHVURJKSA-N 1 2 480.529 -0.368 20 0 JBADLO CNS(=O)(=O)CCNC(=O)c1ccc2nnc([C@H]3C[N@@H+](Cc4ccccn4)CCN3C)n2c1 ZINC001150330862 1069249790 /nfs/dbraw/zinc/24/97/90/1069249790.db2.gz CZJMYLJQDFOERL-GOSISDBHSA-N 1 2 472.575 -0.108 20 0 JBADLO CNS(=O)(=O)CCNC(=O)c1ccc2nnc([C@H]3C[N@H+](Cc4ccccn4)CCN3C)n2c1 ZINC001150330862 1069249776 /nfs/dbraw/zinc/24/97/76/1069249776.db2.gz CZJMYLJQDFOERL-GOSISDBHSA-N 1 2 472.575 -0.108 20 0 JBADLO CNS(=O)(=O)CCNC(=O)c1ccc2nnc([C@@H]3C[N@@H+](Cc4ccccn4)CCN3C)n2c1 ZINC001150330863 1069249223 /nfs/dbraw/zinc/24/92/23/1069249223.db2.gz CZJMYLJQDFOERL-SFHVURJKSA-N 1 2 472.575 -0.108 20 0 JBADLO CNS(=O)(=O)CCNC(=O)c1ccc2nnc([C@@H]3C[N@H+](Cc4ccccn4)CCN3C)n2c1 ZINC001150330863 1069249211 /nfs/dbraw/zinc/24/92/11/1069249211.db2.gz CZJMYLJQDFOERL-SFHVURJKSA-N 1 2 472.575 -0.108 20 0 JBADLO CN1CC[N@@H+](Cc2ccccn2)C[C@H]1c1nnc2ccc(C(=O)NC[C@H]3CNC(=O)CO3)cn21 ZINC001150332612 1069249383 /nfs/dbraw/zinc/24/93/83/1069249383.db2.gz IWLNDQQFKKYCJG-MOPGFXCFSA-N 1 2 464.530 -0.142 20 0 JBADLO CN1CC[N@H+](Cc2ccccn2)C[C@H]1c1nnc2ccc(C(=O)NC[C@H]3CNC(=O)CO3)cn21 ZINC001150332612 1069249370 /nfs/dbraw/zinc/24/93/70/1069249370.db2.gz IWLNDQQFKKYCJG-MOPGFXCFSA-N 1 2 464.530 -0.142 20 0 JBADLO CN1CC[N@@H+](Cc2ccccn2)C[C@H]1c1nnc2ccc(C(=O)NC[C@@H]3CNC(=O)CO3)cn21 ZINC001150332613 1069249821 /nfs/dbraw/zinc/24/98/21/1069249821.db2.gz IWLNDQQFKKYCJG-OALUTQOASA-N 1 2 464.530 -0.142 20 0 JBADLO CN1CC[N@H+](Cc2ccccn2)C[C@H]1c1nnc2ccc(C(=O)NC[C@@H]3CNC(=O)CO3)cn21 ZINC001150332613 1069249812 /nfs/dbraw/zinc/24/98/12/1069249812.db2.gz IWLNDQQFKKYCJG-OALUTQOASA-N 1 2 464.530 -0.142 20 0 JBADLO CN1CC[N@@H+](Cc2ccccn2)C[C@@H]1c1nnc2ccc(C(=O)NC[C@@H]3CNC(=O)CO3)cn21 ZINC001150332615 1069249497 /nfs/dbraw/zinc/24/94/97/1069249497.db2.gz IWLNDQQFKKYCJG-RBUKOAKNSA-N 1 2 464.530 -0.142 20 0 JBADLO CN1CC[N@H+](Cc2ccccn2)C[C@@H]1c1nnc2ccc(C(=O)NC[C@@H]3CNC(=O)CO3)cn21 ZINC001150332615 1069249493 /nfs/dbraw/zinc/24/94/93/1069249493.db2.gz IWLNDQQFKKYCJG-RBUKOAKNSA-N 1 2 464.530 -0.142 20 0 JBADLO CN1CC[N@@H+](Cc2ccccn2)C[C@@H]1c1nnc2ccc(C(=O)NC[C@H]3CNC(=O)CO3)cn21 ZINC001150332617 1069249629 /nfs/dbraw/zinc/24/96/29/1069249629.db2.gz IWLNDQQFKKYCJG-RTBURBONSA-N 1 2 464.530 -0.142 20 0 JBADLO CN1CC[N@H+](Cc2ccccn2)C[C@@H]1c1nnc2ccc(C(=O)NC[C@H]3CNC(=O)CO3)cn21 ZINC001150332617 1069249618 /nfs/dbraw/zinc/24/96/18/1069249618.db2.gz IWLNDQQFKKYCJG-RTBURBONSA-N 1 2 464.530 -0.142 20 0 JBADLO CN1CC[N@@H+](Cc2ccccn2)C[C@H]1c1nnc2ccc(C(=O)NC3CN(S(C)(=O)=O)C3)cn21 ZINC001150333035 1069249432 /nfs/dbraw/zinc/24/94/32/1069249432.db2.gz KWHSQFCKIVHHGY-IBGZPJMESA-N 1 2 484.586 -0.013 20 0 JBADLO CN1CC[N@H+](Cc2ccccn2)C[C@H]1c1nnc2ccc(C(=O)NC3CN(S(C)(=O)=O)C3)cn21 ZINC001150333035 1069249423 /nfs/dbraw/zinc/24/94/23/1069249423.db2.gz KWHSQFCKIVHHGY-IBGZPJMESA-N 1 2 484.586 -0.013 20 0 JBADLO CN1CC[N@@H+](Cc2ccccn2)C[C@@H]1c1nnc2ccc(C(=O)NC3CN(S(C)(=O)=O)C3)cn21 ZINC001150333037 1069249712 /nfs/dbraw/zinc/24/97/12/1069249712.db2.gz KWHSQFCKIVHHGY-LJQANCHMSA-N 1 2 484.586 -0.013 20 0 JBADLO CN1CC[N@H+](Cc2ccccn2)C[C@@H]1c1nnc2ccc(C(=O)NC3CN(S(C)(=O)=O)C3)cn21 ZINC001150333037 1069249695 /nfs/dbraw/zinc/24/96/95/1069249695.db2.gz KWHSQFCKIVHHGY-LJQANCHMSA-N 1 2 484.586 -0.013 20 0 JBADLO CN1CC[N@@H+](Cc2ccccn2)C[C@@H]1c1nnc2ccc(C(=O)NC(CO)(CO)CO)cn21 ZINC001150334112 1069249664 /nfs/dbraw/zinc/24/96/64/1069249664.db2.gz SVEJMNDOGAPBHU-GOSISDBHSA-N 1 2 455.519 -0.942 20 0 JBADLO CN1CC[N@H+](Cc2ccccn2)C[C@@H]1c1nnc2ccc(C(=O)NC(CO)(CO)CO)cn21 ZINC001150334112 1069249656 /nfs/dbraw/zinc/24/96/56/1069249656.db2.gz SVEJMNDOGAPBHU-GOSISDBHSA-N 1 2 455.519 -0.942 20 0 JBADLO CN1CC[N@@H+](Cc2ccccn2)C[C@H]1c1nnc2ccc(C(=O)NC(CO)(CO)CO)cn21 ZINC001150334113 1069249268 /nfs/dbraw/zinc/24/92/68/1069249268.db2.gz SVEJMNDOGAPBHU-SFHVURJKSA-N 1 2 455.519 -0.942 20 0 JBADLO CN1CC[N@H+](Cc2ccccn2)C[C@H]1c1nnc2ccc(C(=O)NC(CO)(CO)CO)cn21 ZINC001150334113 1069249257 /nfs/dbraw/zinc/24/92/57/1069249257.db2.gz SVEJMNDOGAPBHU-SFHVURJKSA-N 1 2 455.519 -0.942 20 0 JBADLO CN1CC[N@@H+](Cc2ccccn2)C[C@@H]1c1nnc2ccc(C(=O)N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)cn21 ZINC001150334126 1069249331 /nfs/dbraw/zinc/24/93/31/1069249331.db2.gz UDRODELENDZKDL-NLXHMFRLSA-N 1 2 481.557 -0.555 20 0 JBADLO CN1CC[N@H+](Cc2ccccn2)C[C@@H]1c1nnc2ccc(C(=O)N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)cn21 ZINC001150334126 1069249310 /nfs/dbraw/zinc/24/93/10/1069249310.db2.gz UDRODELENDZKDL-NLXHMFRLSA-N 1 2 481.557 -0.555 20 0 JBADLO CN1CC[N@@H+](Cc2ccccn2)C[C@H]1c1nnc2ccc(C(=O)N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)cn21 ZINC001150334127 1069249583 /nfs/dbraw/zinc/24/95/83/1069249583.db2.gz UDRODELENDZKDL-QOXYCXOJSA-N 1 2 481.557 -0.555 20 0 JBADLO CN1CC[N@H+](Cc2ccccn2)C[C@H]1c1nnc2ccc(C(=O)N[C@@H]3C[C@H](CO)[C@@H](O)[C@H]3O)cn21 ZINC001150334127 1069249568 /nfs/dbraw/zinc/24/95/68/1069249568.db2.gz UDRODELENDZKDL-QOXYCXOJSA-N 1 2 481.557 -0.555 20 0 JBADLO COCC[NH+]1CCN(C(=O)c2ncn3c2CN(CC(=O)N(C)C)S(=O)(=O)c2ccccc2-3)CC1 ZINC001150380823 1069250298 /nfs/dbraw/zinc/25/02/98/1069250298.db2.gz HUYKLEAKQOXWLT-UHFFFAOYSA-N 1 2 490.586 -0.131 20 0 JBADLO CN(C)C(=O)CN1Cc2c(C(=O)NCC[NH+]3CC4(COC4)C3)ncn2-c2ccccc2S1(=O)=O ZINC001150383318 1069252054 /nfs/dbraw/zinc/25/20/54/1069252054.db2.gz LONKNKXFBPESKP-UHFFFAOYSA-N 1 2 488.570 -0.473 20 0 JBADLO CN(C)C(=O)CN1Cc2c(C(=O)NC[C@H]3C[N@@H+](C)CCO3)ncn2-c2ccccc2S1(=O)=O ZINC001150383693 1069252322 /nfs/dbraw/zinc/25/23/22/1069252322.db2.gz NIXPRWNAZRCNEX-HNNXBMFYSA-N 1 2 476.559 -0.475 20 0 JBADLO CN(C)C(=O)CN1Cc2c(C(=O)NC[C@H]3C[N@H+](C)CCO3)ncn2-c2ccccc2S1(=O)=O ZINC001150383693 1069252311 /nfs/dbraw/zinc/25/23/11/1069252311.db2.gz NIXPRWNAZRCNEX-HNNXBMFYSA-N 1 2 476.559 -0.475 20 0 JBADLO CN(C)C(=O)CN1Cc2c(C(=O)NC[C@@H]3C[N@@H+](C)CCO3)ncn2-c2ccccc2S1(=O)=O ZINC001150383695 1069252505 /nfs/dbraw/zinc/25/25/05/1069252505.db2.gz NIXPRWNAZRCNEX-OAHLLOKOSA-N 1 2 476.559 -0.475 20 0 JBADLO CN(C)C(=O)CN1Cc2c(C(=O)NC[C@@H]3C[N@H+](C)CCO3)ncn2-c2ccccc2S1(=O)=O ZINC001150383695 1069252489 /nfs/dbraw/zinc/25/24/89/1069252489.db2.gz NIXPRWNAZRCNEX-OAHLLOKOSA-N 1 2 476.559 -0.475 20 0 JBADLO CN(C)C(=O)CN1Cc2c(C(=O)N[C@@H](CO)Cc3c[nH+]c[nH]3)ncn2-c2ccccc2S1(=O)=O ZINC001150384173 1069253109 /nfs/dbraw/zinc/25/31/09/1069253109.db2.gz UVKSHTHVXWNHDX-OAHLLOKOSA-N 1 2 487.542 -0.479 20 0 JBADLO CN(C)C(=O)CN1Cc2c(C(=O)N[C@@H](CO)Cc3c[nH]c[nH+]3)ncn2-c2ccccc2S1(=O)=O ZINC001150384173 1069253098 /nfs/dbraw/zinc/25/30/98/1069253098.db2.gz UVKSHTHVXWNHDX-OAHLLOKOSA-N 1 2 487.542 -0.479 20 0 JBADLO COC(=O)[C@H]1C[N@@H+](C)CCN1C(=O)c1ccc2nnc([C@@H]3CN(C(=O)N(C)C)CCN3C)n2c1 ZINC001150419265 1069256743 /nfs/dbraw/zinc/25/67/43/1069256743.db2.gz GRPZCHWWKUWAFW-DLBZAZTESA-N 1 2 472.550 -0.371 20 0 JBADLO COC(=O)[C@H]1C[N@H+](C)CCN1C(=O)c1ccc2nnc([C@@H]3CN(C(=O)N(C)C)CCN3C)n2c1 ZINC001150419265 1069256728 /nfs/dbraw/zinc/25/67/28/1069256728.db2.gz GRPZCHWWKUWAFW-DLBZAZTESA-N 1 2 472.550 -0.371 20 0 JBADLO COC(=O)[C@H]1C[N@@H+](C)CCN1C(=O)c1ccc2nnc([C@H]3CN(C(=O)N(C)C)CCN3C)n2c1 ZINC001150419271 1069256853 /nfs/dbraw/zinc/25/68/53/1069256853.db2.gz GRPZCHWWKUWAFW-IAGOWNOFSA-N 1 2 472.550 -0.371 20 0 JBADLO COC(=O)[C@H]1C[N@H+](C)CCN1C(=O)c1ccc2nnc([C@H]3CN(C(=O)N(C)C)CCN3C)n2c1 ZINC001150419271 1069256840 /nfs/dbraw/zinc/25/68/40/1069256840.db2.gz GRPZCHWWKUWAFW-IAGOWNOFSA-N 1 2 472.550 -0.371 20 0 JBADLO COC(=O)[C@@H]1C[N@@H+](C)CCN1C(=O)c1ccc2nnc([C@@H]3CN(C(=O)N(C)C)CCN3C)n2c1 ZINC001150419275 1069256910 /nfs/dbraw/zinc/25/69/10/1069256910.db2.gz GRPZCHWWKUWAFW-IRXDYDNUSA-N 1 2 472.550 -0.371 20 0 JBADLO COC(=O)[C@@H]1C[N@H+](C)CCN1C(=O)c1ccc2nnc([C@@H]3CN(C(=O)N(C)C)CCN3C)n2c1 ZINC001150419275 1069256894 /nfs/dbraw/zinc/25/68/94/1069256894.db2.gz GRPZCHWWKUWAFW-IRXDYDNUSA-N 1 2 472.550 -0.371 20 0 JBADLO COC(=O)[C@@H]1C[N@@H+](C)CCN1C(=O)c1ccc2nnc([C@H]3CN(C(=O)N(C)C)CCN3C)n2c1 ZINC001150419277 1069257019 /nfs/dbraw/zinc/25/70/19/1069257019.db2.gz GRPZCHWWKUWAFW-SJORKVTESA-N 1 2 472.550 -0.371 20 0 JBADLO COC(=O)[C@@H]1C[N@H+](C)CCN1C(=O)c1ccc2nnc([C@H]3CN(C(=O)N(C)C)CCN3C)n2c1 ZINC001150419277 1069257010 /nfs/dbraw/zinc/25/70/10/1069257010.db2.gz GRPZCHWWKUWAFW-SJORKVTESA-N 1 2 472.550 -0.371 20 0 JBADLO CN(C)C(=O)N1CCN(C)[C@H](c2nnc3ccc(C(=O)NCC[NH+]4CC5(COC5)C4)cn32)C1 ZINC001150427828 1069258488 /nfs/dbraw/zinc/25/84/88/1069258488.db2.gz BFUBFIVKXHNWAY-KRWDZBQOSA-N 1 2 456.551 -0.239 20 0 JBADLO CN(C)C(=O)N1CCN(C)[C@@H](c2nnc3ccc(C(=O)NCC[NH+]4CC5(COC5)C4)cn32)C1 ZINC001150427831 1069258543 /nfs/dbraw/zinc/25/85/43/1069258543.db2.gz BFUBFIVKXHNWAY-QGZVFWFLSA-N 1 2 456.551 -0.239 20 0 JBADLO COC(=O)[C@@H]1C[N@@H+](C)CCN1C(=O)c1ccc2nnc([C@H]3CN(c4ncccn4)CCN3C)n2c1 ZINC001150430116 1069259836 /nfs/dbraw/zinc/25/98/36/1069259836.db2.gz NEVXHSDNZWPHHC-MSOLQXFVSA-N 1 2 479.545 -0.058 20 0 JBADLO COC(=O)[C@@H]1C[N@H+](C)CCN1C(=O)c1ccc2nnc([C@H]3CN(c4ncccn4)CCN3C)n2c1 ZINC001150430116 1069259817 /nfs/dbraw/zinc/25/98/17/1069259817.db2.gz NEVXHSDNZWPHHC-MSOLQXFVSA-N 1 2 479.545 -0.058 20 0 JBADLO COC(=O)[C@H]1C[N@@H+](C)CCN1C(=O)c1ccc2nnc([C@H]3CN(c4ncccn4)CCN3C)n2c1 ZINC001150430118 1069259722 /nfs/dbraw/zinc/25/97/22/1069259722.db2.gz NEVXHSDNZWPHHC-QZTJIDSGSA-N 1 2 479.545 -0.058 20 0 JBADLO COC(=O)[C@H]1C[N@H+](C)CCN1C(=O)c1ccc2nnc([C@H]3CN(c4ncccn4)CCN3C)n2c1 ZINC001150430118 1069259703 /nfs/dbraw/zinc/25/97/03/1069259703.db2.gz NEVXHSDNZWPHHC-QZTJIDSGSA-N 1 2 479.545 -0.058 20 0 JBADLO COC(=O)[C@@H]1C[N@@H+](C)CCN1C(=O)c1ccc2nnc([C@@H]3CN(c4ncccn4)CCN3C)n2c1 ZINC001150430119 1069260031 /nfs/dbraw/zinc/26/00/31/1069260031.db2.gz NEVXHSDNZWPHHC-ROUUACIJSA-N 1 2 479.545 -0.058 20 0 JBADLO COC(=O)[C@@H]1C[N@H+](C)CCN1C(=O)c1ccc2nnc([C@@H]3CN(c4ncccn4)CCN3C)n2c1 ZINC001150430119 1069260016 /nfs/dbraw/zinc/26/00/16/1069260016.db2.gz NEVXHSDNZWPHHC-ROUUACIJSA-N 1 2 479.545 -0.058 20 0 JBADLO COC(=O)[C@H]1C[N@@H+](C)CCN1C(=O)c1ccc2nnc([C@@H]3CN(c4ncccn4)CCN3C)n2c1 ZINC001150430121 1069259987 /nfs/dbraw/zinc/25/99/87/1069259987.db2.gz NEVXHSDNZWPHHC-ZWKOTPCHSA-N 1 2 479.545 -0.058 20 0 JBADLO COC(=O)[C@H]1C[N@H+](C)CCN1C(=O)c1ccc2nnc([C@@H]3CN(c4ncccn4)CCN3C)n2c1 ZINC001150430121 1069259973 /nfs/dbraw/zinc/25/99/73/1069259973.db2.gz NEVXHSDNZWPHHC-ZWKOTPCHSA-N 1 2 479.545 -0.058 20 0 JBADLO CN(C)C(=O)N1CCN(C)[C@@H](c2nnc3ccc(C(=O)N[C@@H](CO)Cc4c[nH+]c[nH]4)cn32)C1 ZINC001150430205 1069259652 /nfs/dbraw/zinc/25/96/52/1069259652.db2.gz OTNOWWWRIHWOIN-IAGOWNOFSA-N 1 2 455.523 -0.244 20 0 JBADLO CN(C)C(=O)N1CCN(C)[C@@H](c2nnc3ccc(C(=O)N[C@@H](CO)Cc4c[nH]c[nH+]4)cn32)C1 ZINC001150430205 1069259641 /nfs/dbraw/zinc/25/96/41/1069259641.db2.gz OTNOWWWRIHWOIN-IAGOWNOFSA-N 1 2 455.523 -0.244 20 0 JBADLO CN(C)C(=O)N1CCN(C)[C@H](c2nnc3ccc(C(=O)N[C@@H](CO)Cc4c[nH+]c[nH]4)cn32)C1 ZINC001150430206 1069259908 /nfs/dbraw/zinc/25/99/08/1069259908.db2.gz OTNOWWWRIHWOIN-SJORKVTESA-N 1 2 455.523 -0.244 20 0 JBADLO CN(C)C(=O)N1CCN(C)[C@H](c2nnc3ccc(C(=O)N[C@@H](CO)Cc4c[nH]c[nH+]4)cn32)C1 ZINC001150430206 1069259893 /nfs/dbraw/zinc/25/98/93/1069259893.db2.gz OTNOWWWRIHWOIN-SJORKVTESA-N 1 2 455.523 -0.244 20 0 JBADLO COC(=O)[C@@H](Cc1c[nH+]cn1C)NC(=O)c1ccc2nnc([C@@H]3CN(C(=O)N(C)C)CCN3C)n2c1 ZINC001150431182 1069260618 /nfs/dbraw/zinc/26/06/18/1069260618.db2.gz XXHULBNEDBYPRM-MSOLQXFVSA-N 1 2 497.560 -0.053 20 0 JBADLO COC(=O)[C@@H](Cc1c[nH+]cn1C)NC(=O)c1ccc2nnc([C@H]3CN(C(=O)N(C)C)CCN3C)n2c1 ZINC001150431185 1069260654 /nfs/dbraw/zinc/26/06/54/1069260654.db2.gz XXHULBNEDBYPRM-QZTJIDSGSA-N 1 2 497.560 -0.053 20 0 JBADLO COC(=O)[C@H](Cc1c[nH+]cn1C)NC(=O)c1ccc2nnc([C@@H]3CN(C(=O)N(C)C)CCN3C)n2c1 ZINC001150431187 1069260350 /nfs/dbraw/zinc/26/03/50/1069260350.db2.gz XXHULBNEDBYPRM-ROUUACIJSA-N 1 2 497.560 -0.053 20 0 JBADLO COC(=O)[C@H](Cc1c[nH+]cn1C)NC(=O)c1ccc2nnc([C@H]3CN(C(=O)N(C)C)CCN3C)n2c1 ZINC001150431189 1069260471 /nfs/dbraw/zinc/26/04/71/1069260471.db2.gz XXHULBNEDBYPRM-ZWKOTPCHSA-N 1 2 497.560 -0.053 20 0 JBADLO COC(=O)[C@H]1C[N@@H+](C)CCN1C(=O)c1ccc2nnc([C@H]3CCN(S(C)(=O)=O)C3)n2c1 ZINC001150455761 1069262885 /nfs/dbraw/zinc/26/28/85/1069262885.db2.gz LYXSUMHKMBXKLM-DZGCQCFKSA-N 1 2 450.521 -0.593 20 0 JBADLO COC(=O)[C@H]1C[N@H+](C)CCN1C(=O)c1ccc2nnc([C@H]3CCN(S(C)(=O)=O)C3)n2c1 ZINC001150455761 1069262878 /nfs/dbraw/zinc/26/28/78/1069262878.db2.gz LYXSUMHKMBXKLM-DZGCQCFKSA-N 1 2 450.521 -0.593 20 0 JBADLO COC(=O)[C@@H]1C[N@@H+](C)CCN1C(=O)c1ccc2nnc([C@@H]3CCN(S(C)(=O)=O)C3)n2c1 ZINC001150455762 1069262942 /nfs/dbraw/zinc/26/29/42/1069262942.db2.gz LYXSUMHKMBXKLM-HIFRSBDPSA-N 1 2 450.521 -0.593 20 0 JBADLO COC(=O)[C@@H]1C[N@H+](C)CCN1C(=O)c1ccc2nnc([C@@H]3CCN(S(C)(=O)=O)C3)n2c1 ZINC001150455762 1069262933 /nfs/dbraw/zinc/26/29/33/1069262933.db2.gz LYXSUMHKMBXKLM-HIFRSBDPSA-N 1 2 450.521 -0.593 20 0 JBADLO COC(=O)[C@H]1C[N@@H+](C)CCN1C(=O)c1ccc2nnc([C@@H]3CCN(S(C)(=O)=O)C3)n2c1 ZINC001150455763 1069263434 /nfs/dbraw/zinc/26/34/34/1069263434.db2.gz LYXSUMHKMBXKLM-UKRRQHHQSA-N 1 2 450.521 -0.593 20 0 JBADLO COC(=O)[C@H]1C[N@H+](C)CCN1C(=O)c1ccc2nnc([C@@H]3CCN(S(C)(=O)=O)C3)n2c1 ZINC001150455763 1069263419 /nfs/dbraw/zinc/26/34/19/1069263419.db2.gz LYXSUMHKMBXKLM-UKRRQHHQSA-N 1 2 450.521 -0.593 20 0 JBADLO COC(=O)[C@@H]1C[N@@H+](C)CCN1C(=O)c1ccc2nnc([C@H]3CCN(S(C)(=O)=O)C3)n2c1 ZINC001150455764 1069263466 /nfs/dbraw/zinc/26/34/66/1069263466.db2.gz LYXSUMHKMBXKLM-ZFWWWQNUSA-N 1 2 450.521 -0.593 20 0 JBADLO COC(=O)[C@@H]1C[N@H+](C)CCN1C(=O)c1ccc2nnc([C@H]3CCN(S(C)(=O)=O)C3)n2c1 ZINC001150455764 1069263455 /nfs/dbraw/zinc/26/34/55/1069263455.db2.gz LYXSUMHKMBXKLM-ZFWWWQNUSA-N 1 2 450.521 -0.593 20 0 JBADLO COC(=O)[C@H](Cc1c[nH+]cn1C)NC(=O)c1ccc2nnc([C@H]3CCN(S(C)(=O)=O)C3)n2c1 ZINC001150465837 1069265102 /nfs/dbraw/zinc/26/51/02/1069265102.db2.gz NLQGGUMRRTWCSK-BBRMVZONSA-N 1 2 475.531 -0.274 20 0 JBADLO COC(=O)[C@H](Cc1c[nH+]cn1C)NC(=O)c1ccc2nnc([C@@H]3CCN(S(C)(=O)=O)C3)n2c1 ZINC001150465838 1069265197 /nfs/dbraw/zinc/26/51/97/1069265197.db2.gz NLQGGUMRRTWCSK-CJNGLKHVSA-N 1 2 475.531 -0.274 20 0 JBADLO COC(=O)[C@@H](Cc1c[nH+]cn1C)NC(=O)c1ccc2nnc([C@@H]3CCN(S(C)(=O)=O)C3)n2c1 ZINC001150465839 1069265018 /nfs/dbraw/zinc/26/50/18/1069265018.db2.gz NLQGGUMRRTWCSK-CZUORRHYSA-N 1 2 475.531 -0.274 20 0 JBADLO COC(=O)[C@@H](Cc1c[nH+]cn1C)NC(=O)c1ccc2nnc([C@H]3CCN(S(C)(=O)=O)C3)n2c1 ZINC001150465840 1069265124 /nfs/dbraw/zinc/26/51/24/1069265124.db2.gz NLQGGUMRRTWCSK-XJKSGUPXSA-N 1 2 475.531 -0.274 20 0 JBADLO CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NC2CC[NH+]([C@H]3CCOC3=O)CC2)c1 ZINC001151959754 1069268406 /nfs/dbraw/zinc/26/84/06/1069268406.db2.gz LRYDMMSIMVIWJS-KRWDZBQOSA-N 1 2 454.549 -0.225 20 0 JBADLO CCN(CC)S(=O)(=O)c1ccc(=O)n(CC(=O)NC2CC[NH+]([C@@H]3CCOC3=O)CC2)c1 ZINC001151959756 1069268502 /nfs/dbraw/zinc/26/85/02/1069268502.db2.gz LRYDMMSIMVIWJS-QGZVFWFLSA-N 1 2 454.549 -0.225 20 0 JBADLO CC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)N[C@H](CO)Cc3c[nH+]c[nH]3)ccc2F)CC1 ZINC001152489787 1069270970 /nfs/dbraw/zinc/27/09/70/1069270970.db2.gz BGOWTVCBFPWFSI-INIZCTEOSA-N 1 2 453.496 -0.265 20 0 JBADLO CC(=O)N1CCN(S(=O)(=O)c2cc(C(=O)N[C@H](CO)Cc3c[nH]c[nH+]3)ccc2F)CC1 ZINC001152489787 1069270956 /nfs/dbraw/zinc/27/09/56/1069270956.db2.gz BGOWTVCBFPWFSI-INIZCTEOSA-N 1 2 453.496 -0.265 20 0 JBADLO Cc1cc(=O)oc2cc(NC(=O)[C@H](Cc3c[nH+]c[nH]3)NC(=O)c3ncn4c3nnn(C)c4=O)ccc12 ZINC001152761930 1069274779 /nfs/dbraw/zinc/27/47/79/1069274779.db2.gz LZDWVGVLODFIKA-HNNXBMFYSA-N 1 2 489.452 -0.059 20 0 JBADLO Cc1cc(=O)oc2cc(NC(=O)[C@H](Cc3c[nH]c[nH+]3)NC(=O)c3ncn4c3nnn(C)c4=O)ccc12 ZINC001152761930 1069274765 /nfs/dbraw/zinc/27/47/65/1069274765.db2.gz LZDWVGVLODFIKA-HNNXBMFYSA-N 1 2 489.452 -0.059 20 0 JBADLO COC(=O)CC[N@H+]1CCN(C(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)C[C@@H]1C ZINC001152769734 1069274618 /nfs/dbraw/zinc/27/46/18/1069274618.db2.gz BSHJXDHUEXCAAE-HNNXBMFYSA-N 1 2 452.533 -0.484 20 0 JBADLO COC(=O)CC[N@@H+]1CCN(C(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)C[C@@H]1C ZINC001152769734 1069274608 /nfs/dbraw/zinc/27/46/08/1069274608.db2.gz BSHJXDHUEXCAAE-HNNXBMFYSA-N 1 2 452.533 -0.484 20 0 JBADLO COC(=O)CC[N@H+]1CCN(C(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)C[C@H]1C ZINC001152769735 1069274857 /nfs/dbraw/zinc/27/48/57/1069274857.db2.gz BSHJXDHUEXCAAE-OAHLLOKOSA-N 1 2 452.533 -0.484 20 0 JBADLO COC(=O)CC[N@@H+]1CCN(C(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)C[C@H]1C ZINC001152769735 1069274846 /nfs/dbraw/zinc/27/48/46/1069274846.db2.gz BSHJXDHUEXCAAE-OAHLLOKOSA-N 1 2 452.533 -0.484 20 0 JBADLO CCn1nc(C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N2CCC[C@H]2C(N)=O)c(=O)c2cc3c(cc21)OCO3 ZINC001153671141 1069278178 /nfs/dbraw/zinc/27/81/78/1069278178.db2.gz IGOCZNWDIDHBBA-GJZGRUSLSA-N 1 2 495.496 -0.314 20 0 JBADLO CCn1nc(C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N2CCC[C@H]2C(N)=O)c(=O)c2cc3c(cc21)OCO3 ZINC001153671141 1069278172 /nfs/dbraw/zinc/27/81/72/1069278172.db2.gz IGOCZNWDIDHBBA-GJZGRUSLSA-N 1 2 495.496 -0.314 20 0 JBADLO CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)c1nc2c(s1)C[N@@H+](C)CC2)C(=O)NCC(N)=O ZINC001154218067 1069280401 /nfs/dbraw/zinc/28/04/01/1069280401.db2.gz FKRRHTFDWJFIOM-GJZGRUSLSA-N 1 2 464.592 -0.132 20 0 JBADLO CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)c1nc2c(s1)C[N@H+](C)CC2)C(=O)NCC(N)=O ZINC001154218067 1069280393 /nfs/dbraw/zinc/28/03/93/1069280393.db2.gz FKRRHTFDWJFIOM-GJZGRUSLSA-N 1 2 464.592 -0.132 20 0 JBADLO CCn1c2ccc(C(=O)N[C@@H](Cc3c[nH+]c[nH]3)C(=O)N3CCC[C@H]3C(N)=O)cc2[nH]c(=O)c1=O ZINC001154261315 1069281025 /nfs/dbraw/zinc/28/10/25/1069281025.db2.gz NODWIMWNOYVREY-RDJZCZTQSA-N 1 2 467.486 -0.750 20 0 JBADLO CCn1c2ccc(C(=O)N[C@@H](Cc3c[nH]c[nH+]3)C(=O)N3CCC[C@H]3C(N)=O)cc2[nH]c(=O)c1=O ZINC001154261315 1069281017 /nfs/dbraw/zinc/28/10/17/1069281017.db2.gz NODWIMWNOYVREY-RDJZCZTQSA-N 1 2 467.486 -0.750 20 0 JBADLO Cc1nc(S(=O)(=O)N2CCC(C(=O)N3CCC[N@H+](CC(=O)N(C)C)CC3)CC2)cn1C ZINC001154925296 1069283857 /nfs/dbraw/zinc/28/38/57/1069283857.db2.gz ZVUWLAFTHALXPI-UHFFFAOYSA-N 1 2 454.597 -0.248 20 0 JBADLO Cc1nc(S(=O)(=O)N2CCC(C(=O)N3CCC[N@@H+](CC(=O)N(C)C)CC3)CC2)cn1C ZINC001154925296 1069283849 /nfs/dbraw/zinc/28/38/49/1069283849.db2.gz ZVUWLAFTHALXPI-UHFFFAOYSA-N 1 2 454.597 -0.248 20 0 JBADLO COCCn1c(=O)ccc2c1CC[C@@H](Nc1nc(N3CCOCC3)[nH+]c(N3CCOCC3)n1)C2 ZINC001155795174 1069287787 /nfs/dbraw/zinc/28/77/87/1069287787.db2.gz YERZCHVUPOOGQQ-GOSISDBHSA-N 1 2 471.562 -0.256 20 0 JBADLO COCCn1c(=O)ccc2c1CC[C@@H](Nc1nc(N3CCOCC3)nc(N3CCOCC3)[nH+]1)C2 ZINC001155795174 1069287775 /nfs/dbraw/zinc/28/77/75/1069287775.db2.gz YERZCHVUPOOGQQ-GOSISDBHSA-N 1 2 471.562 -0.256 20 0 JBADLO COCCn1c(=O)ccc2c1CC[C@H](Nc1nc(N3CCOCC3)[nH+]c(N3CCOCC3)n1)C2 ZINC001155795175 1069287536 /nfs/dbraw/zinc/28/75/36/1069287536.db2.gz YERZCHVUPOOGQQ-SFHVURJKSA-N 1 2 471.562 -0.256 20 0 JBADLO COCCn1c(=O)ccc2c1CC[C@H](Nc1nc(N3CCOCC3)nc(N3CCOCC3)[nH+]1)C2 ZINC001155795175 1069287526 /nfs/dbraw/zinc/28/75/26/1069287526.db2.gz YERZCHVUPOOGQQ-SFHVURJKSA-N 1 2 471.562 -0.256 20 0 JBADLO CNC(=O)C[N@H+]1CCCN(C(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 ZINC001156189350 1069288803 /nfs/dbraw/zinc/28/88/03/1069288803.db2.gz SPHYOSQAABHWKV-UHFFFAOYSA-N 1 2 452.577 -0.080 20 0 JBADLO CNC(=O)C[N@@H+]1CCCN(C(=O)CCc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 ZINC001156189350 1069288788 /nfs/dbraw/zinc/28/87/88/1069288788.db2.gz SPHYOSQAABHWKV-UHFFFAOYSA-N 1 2 452.577 -0.080 20 0 JBADLO CN1CC[NH+](Cc2cc3nc(NC(CO)(CO)CO)nc(N4CCOCC4)c3s2)CC1 ZINC001157152837 1069291913 /nfs/dbraw/zinc/29/19/13/1069291913.db2.gz VGIGTVKMDXXXKC-UHFFFAOYSA-N 1 2 452.581 -0.597 20 0 JBADLO CCOC(=O)C1(S(C)(=O)=O)CCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC001157184513 1069291773 /nfs/dbraw/zinc/29/17/73/1069291773.db2.gz AGJBZKRJEBRLEM-INIZCTEOSA-N 1 2 459.565 -0.864 20 0 JBADLO CCOC(=O)C1(S(C)(=O)=O)CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CC1 ZINC001157184514 1069291835 /nfs/dbraw/zinc/29/18/35/1069291835.db2.gz AGJBZKRJEBRLEM-MRXNPFEDSA-N 1 2 459.565 -0.864 20 0 JBADLO Cn1cc(S(=O)(=O)NCC(=O)N2CC[C@H]([NH+]3CCN(C(=O)OC(C)(C)C)CC3)C2)cn1 ZINC001157268080 1069292790 /nfs/dbraw/zinc/29/27/90/1069292790.db2.gz VYGVGOGAVKXDBU-HNNXBMFYSA-N 1 2 456.569 -0.148 20 0 JBADLO Cn1cc(S(=O)(=O)NCC(=O)N2CC[C@@H]([NH+]3CCN(C(=O)OC(C)(C)C)CC3)C2)cn1 ZINC001157268081 1069292470 /nfs/dbraw/zinc/29/24/70/1069292470.db2.gz VYGVGOGAVKXDBU-OAHLLOKOSA-N 1 2 456.569 -0.148 20 0 JBADLO CN1CC[NH+](Cc2cc3nc(N[C@@H]4C[C@H](CO)[C@@H](O)[C@H]4O)nc(N4CCOCC4)c3s2)CC1 ZINC001157278718 1069292628 /nfs/dbraw/zinc/29/26/28/1069292628.db2.gz JOSPAIJCZWHVFL-OPNNQBFTSA-N 1 2 478.619 -0.210 20 0 JBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1ccc2[nH]c3c(c2c1)CCNC3=O ZINC001157284555 1069292727 /nfs/dbraw/zinc/29/27/27/1069292727.db2.gz BRLQHMYVLDJQRQ-ROUUACIJSA-N 1 2 463.498 -0.006 20 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JUZORTCBULTMFX-HNNXBMFYSA-N 1 2 467.486 -0.229 20 0 JBADLO CCn1nnc2c1[C@H](C(=O)NCC(=O)NCC(=O)Nc1ccc3c(C)cc(=O)oc3c1)C[NH2+]C2 ZINC001157364804 1069294600 /nfs/dbraw/zinc/29/46/00/1069294600.db2.gz JUZORTCBULTMFX-OAHLLOKOSA-N 1 2 467.486 -0.229 20 0 JBADLO COC(=O)[C@@H]1C[C@@H](C(=O)NCC(=O)NCC(=O)Nc2ccc3c(C)cc(=O)oc3c2)CC[NH2+]1 ZINC001157365062 1069294461 /nfs/dbraw/zinc/29/44/61/1069294461.db2.gz SFLSJDNCDPMLTC-BBRMVZONSA-N 1 2 458.471 -0.186 20 0 JBADLO COC(=O)[C@@H]1C[C@H](C(=O)NCC(=O)NCC(=O)Nc2ccc3c(C)cc(=O)oc3c2)CC[NH2+]1 ZINC001157365063 1069294632 /nfs/dbraw/zinc/29/46/32/1069294632.db2.gz SFLSJDNCDPMLTC-CJNGLKHVSA-N 1 2 458.471 -0.186 20 0 JBADLO COC(=O)[C@H]1C[C@H](C(=O)NCC(=O)NCC(=O)Nc2ccc3c(C)cc(=O)oc3c2)CC[NH2+]1 ZINC001157365064 1069295403 /nfs/dbraw/zinc/29/54/03/1069295403.db2.gz SFLSJDNCDPMLTC-CZUORRHYSA-N 1 2 458.471 -0.186 20 0 JBADLO COC(=O)[C@H]1C[C@@H](C(=O)NCC(=O)NCC(=O)Nc2ccc3c(C)cc(=O)oc3c2)CC[NH2+]1 ZINC001157365065 1069295161 /nfs/dbraw/zinc/29/51/61/1069295161.db2.gz SFLSJDNCDPMLTC-XJKSGUPXSA-N 1 2 458.471 -0.186 20 0 JBADLO CO[C@]1(C(=O)NC[C@@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)CCS(=O)(=O)C1 ZINC001157374368 1069295070 /nfs/dbraw/zinc/29/50/70/1069295070.db2.gz BQYRJTXUHNFKAX-FOIQADDNSA-N 1 2 453.565 -0.847 20 0 JBADLO CO[C@]1(C(=O)NC[C@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)CCS(=O)(=O)C1 ZINC001157374375 1069295308 /nfs/dbraw/zinc/29/53/08/1069295308.db2.gz BQYRJTXUHNFKAX-MGPUTAFESA-N 1 2 453.565 -0.847 20 0 JBADLO CO[C@@]1(C(=O)NC[C@@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)CCS(=O)(=O)C1 ZINC001157374376 1069295126 /nfs/dbraw/zinc/29/51/26/1069295126.db2.gz BQYRJTXUHNFKAX-QRWLVFNGSA-N 1 2 453.565 -0.847 20 0 JBADLO CO[C@@]1(C(=O)NC[C@H]2CCn3ncc(C(=O)N4CC[NH+](C)CC4)c3C2)CCS(=O)(=O)C1 ZINC001157374377 1069295427 /nfs/dbraw/zinc/29/54/27/1069295427.db2.gz BQYRJTXUHNFKAX-YWZLYKJASA-N 1 2 453.565 -0.847 20 0 JBADLO CC(C)[C@H](NC(=O)CN1CC[NH2+]CC1=O)C(=O)NCCOCCOCCOCc1ccccc1 ZINC001157432523 1069296915 /nfs/dbraw/zinc/29/69/15/1069296915.db2.gz CNGOPDCXJIBSRV-QHCPKHFHSA-N 1 2 478.590 -0.075 20 0 JBADLO CC(C)[C@H](NC(=O)[C@@H]([NH3+])Cc1nn[nH]n1)C(=O)NCCOCCOCCOCc1ccccc1 ZINC001157434682 1069296887 /nfs/dbraw/zinc/29/68/87/1069296887.db2.gz RKVDXHOTHJBRNJ-ICSRJNTNSA-N 1 2 477.566 -0.424 20 0 JBADLO COC(=O)[C@@H]1C[C@@H](Oc2nc3cc(OC)ccc3nc2NC2CN(S(C)(=O)=O)C2)C[NH2+]1 ZINC001157440312 1069297609 /nfs/dbraw/zinc/29/76/09/1069297609.db2.gz FRQGYUSXAZOTBK-CJNGLKHVSA-N 1 2 451.505 -0.024 20 0 JBADLO CS(=O)(=O)c1cccc(C[C@H](NC(=O)[C@@H]([NH3+])Cc2nn[nH]n2)C(=O)OCc2ccccc2)c1 ZINC001157440605 1069297341 /nfs/dbraw/zinc/29/73/41/1069297341.db2.gz ZNNGHCBQKAYRCN-ROUUACIJSA-N 1 2 472.527 -0.056 20 0 JBADLO CCOC(=O)c1cn[nH]c1CNC(=O)C[C@H](NC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])C(C)C)C(=O)CF ZINC001157449118 1069297383 /nfs/dbraw/zinc/29/73/83/1069297383.db2.gz RYGXATVLTAFBJQ-BNLOLNQZSA-N 1 2 470.502 -0.896 20 0 JBADLO O=C(NC1CCN(c2nc(N3CCOCC3)[nH+]c(N3CCOCC3)n2)CC1)N1CCOCC1 ZINC001157937962 1069300084 /nfs/dbraw/zinc/30/00/84/1069300084.db2.gz VCNRZCNDPDYTBN-UHFFFAOYSA-N 1 2 462.555 -0.445 20 0 JBADLO O=C(NC1CCN(c2nc(N3CCOCC3)nc(N3CCOCC3)[nH+]2)CC1)N1CCOCC1 ZINC001157937962 1069300077 /nfs/dbraw/zinc/30/00/77/1069300077.db2.gz VCNRZCNDPDYTBN-UHFFFAOYSA-N 1 2 462.555 -0.445 20 0 JBADLO CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@@H]1CCCN1C(=O)CNS(=O)(=O)c1ccc(C)cc1 ZINC001157998062 1069300055 /nfs/dbraw/zinc/30/00/55/1069300055.db2.gz DCNPVXQSPDZSLZ-ROUUACIJSA-N 1 2 466.560 -0.372 20 0 JBADLO CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)[C@@H]1CCCN1C(=O)CNS(=O)(=O)c1ccc(C)cc1 ZINC001157998063 1069300269 /nfs/dbraw/zinc/30/02/69/1069300269.db2.gz DCNPVXQSPDZSLZ-ZWKOTPCHSA-N 1 2 466.560 -0.372 20 0 JBADLO CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@H](NC(=O)N1CCN(CC)C(=O)C1=O)c1ccccc1 ZINC001158000176 1069300173 /nfs/dbraw/zinc/30/01/73/1069300173.db2.gz WLGIHFJULNJVRV-DLBZAZTESA-N 1 2 459.503 -0.509 20 0 JBADLO CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)[C@H](NC(=O)N1CCN(CC)C(=O)C1=O)c1ccccc1 ZINC001158000177 1069300840 /nfs/dbraw/zinc/30/08/40/1069300840.db2.gz WLGIHFJULNJVRV-IAGOWNOFSA-N 1 2 459.503 -0.509 20 0 JBADLO CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCC(=O)N1 ZINC001158006144 1069300873 /nfs/dbraw/zinc/30/08/73/1069300873.db2.gz IRAULOGBVPOYBY-FHWLQOOXSA-N 1 2 455.515 -0.163 20 0 JBADLO CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@@H]1CCC(=O)N1 ZINC001158006145 1069300607 /nfs/dbraw/zinc/30/06/07/1069300607.db2.gz IRAULOGBVPOYBY-GBESFXJTSA-N 1 2 455.515 -0.163 20 0 JBADLO CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)c1ccc2nnc([C@@H]3CN(c4ncccn4)CCN3C)n2c1 ZINC001158013079 1069300692 /nfs/dbraw/zinc/30/06/92/1069300692.db2.gz BTOHNYJAOCQVNL-MSOLQXFVSA-N 1 2 479.545 -0.011 20 0 JBADLO CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)c1ccc2nnc([C@H]3CN(c4ncccn4)CCN3C)n2c1 ZINC001158013081 1069300910 /nfs/dbraw/zinc/30/09/10/1069300910.db2.gz BTOHNYJAOCQVNL-QZTJIDSGSA-N 1 2 479.545 -0.011 20 0 JBADLO CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)c1ccc2nnc([C@@H]3CN(c4ncccn4)CCN3C)n2c1 ZINC001158013082 1069301029 /nfs/dbraw/zinc/30/10/29/1069301029.db2.gz BTOHNYJAOCQVNL-ROUUACIJSA-N 1 2 479.545 -0.011 20 0 JBADLO CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)c1ccc2nnc([C@H]3CN(c4ncccn4)CCN3C)n2c1 ZINC001158013083 1069300806 /nfs/dbraw/zinc/30/08/06/1069300806.db2.gz BTOHNYJAOCQVNL-ZWKOTPCHSA-N 1 2 479.545 -0.011 20 0 JBADLO CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)c1ccc2nnc([C@H]3CCN(S(C)(=O)=O)C3)n2c1 ZINC001158015512 1068524982 /nfs/dbraw/zinc/52/49/82/1068524982.db2.gz SDZYDMAEOWNZBI-DZGCQCFKSA-N 1 2 450.521 -0.545 20 0 JBADLO CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)c1ccc2nnc([C@@H]3CCN(S(C)(=O)=O)C3)n2c1 ZINC001158015521 1068525701 /nfs/dbraw/zinc/52/57/01/1068525701.db2.gz SDZYDMAEOWNZBI-HIFRSBDPSA-N 1 2 450.521 -0.545 20 0 JBADLO CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)c1ccc2nnc([C@@H]3CCN(S(C)(=O)=O)C3)n2c1 ZINC001158015523 1068525665 /nfs/dbraw/zinc/52/56/65/1068525665.db2.gz SDZYDMAEOWNZBI-UKRRQHHQSA-N 1 2 450.521 -0.545 20 0 JBADLO CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)c1ccc2nnc([C@H]3CCN(S(C)(=O)=O)C3)n2c1 ZINC001158015525 1068525749 /nfs/dbraw/zinc/52/57/49/1068525749.db2.gz SDZYDMAEOWNZBI-ZFWWWQNUSA-N 1 2 450.521 -0.545 20 0 JBADLO CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)c1ccc2ccc(N3CCN(S(C)(=O)=O)CC3)n2c1 ZINC001158015536 1069300977 /nfs/dbraw/zinc/30/09/77/1069300977.db2.gz SJOFRZDCVZFOEP-GOSISDBHSA-N 1 2 463.560 -0.002 20 0 JBADLO CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)c1ccc2ccc(N3CCN(S(C)(=O)=O)CC3)n2c1 ZINC001158015538 1069300943 /nfs/dbraw/zinc/30/09/43/1069300943.db2.gz SJOFRZDCVZFOEP-SFHVURJKSA-N 1 2 463.560 -0.002 20 0 JBADLO CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)c1ccc2nnc([C@H]3CN(C(=O)N(C)C)CCN3C)n2c1 ZINC001158015616 1069300564 /nfs/dbraw/zinc/30/05/64/1069300564.db2.gz UBWPAXXEMNSRJG-DLBZAZTESA-N 1 2 472.550 -0.324 20 0 JBADLO CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)c1ccc2nnc([C@H]3CN(C(=O)N(C)C)CCN3C)n2c1 ZINC001158015618 1069300774 /nfs/dbraw/zinc/30/07/74/1069300774.db2.gz UBWPAXXEMNSRJG-IAGOWNOFSA-N 1 2 472.550 -0.324 20 0 JBADLO CCOC(=O)[C@@H]1C[NH2+]CCN1C(=O)c1ccc2nnc([C@@H]3CN(C(=O)N(C)C)CCN3C)n2c1 ZINC001158015621 1069301060 /nfs/dbraw/zinc/30/10/60/1069301060.db2.gz UBWPAXXEMNSRJG-IRXDYDNUSA-N 1 2 472.550 -0.324 20 0 JBADLO CCOC(=O)[C@H]1C[NH2+]CCN1C(=O)c1ccc2nnc([C@@H]3CN(C(=O)N(C)C)CCN3C)n2c1 ZINC001158015623 1069300543 /nfs/dbraw/zinc/30/05/43/1069300543.db2.gz UBWPAXXEMNSRJG-SJORKVTESA-N 1 2 472.550 -0.324 20 0 JBADLO COc1ccc(Cn2cc(C(=O)N3CC(=O)NC[C@]34CC[NH2+]C4)c(O)c3cnc(=O)nc2-3)cc1 ZINC001158112487 1069302559 /nfs/dbraw/zinc/30/25/59/1069302559.db2.gz YRWKQHMCJGNCRD-HSZRJFAPSA-N 1 2 464.482 -0.142 20 0 JBADLO COc1ccc(Cn2cc(C(=O)N3CC(=O)NC[C@@]34CC[NH2+]C4)c(O)c3cnc(=O)nc2-3)cc1 ZINC001158112488 1069302738 /nfs/dbraw/zinc/30/27/38/1069302738.db2.gz YRWKQHMCJGNCRD-QHCPKHFHSA-N 1 2 464.482 -0.142 20 0 JBADLO COC(=O)[C@@H]([NH3+])CC(=O)N1CCC[C@]2(C(=O)N3CCOCC3)CN(c3ncccn3)C[C@@H]2C1 ZINC001158352631 1069306698 /nfs/dbraw/zinc/30/66/98/1069306698.db2.gz SIQKOFNSBSAYJC-HOIFWPIMSA-N 1 2 460.535 -0.729 20 0 JBADLO O=C(c1cnc2n1CC[NH2+]C2)N1CCC[C@]2(C(=O)N3CCOCC3)CN(c3ncccn3)C[C@@H]2C1 ZINC001158352935 1069307626 /nfs/dbraw/zinc/30/76/26/1069307626.db2.gz XMJUXEXKPUYYOV-UUOWRZLLSA-N 1 2 480.573 -0.006 20 0 JBADLO NC(=O)[C@@H](CO)Nc1nc2cc(CN3CC[NH+]([C@@H]4CCOC4)CC3)sc2c(N2CCOCC2)n1 ZINC001158444435 1069309267 /nfs/dbraw/zinc/30/92/67/1069309267.db2.gz SLJHPPKMWMIGTH-CRAIPNDOSA-N 1 2 491.618 -0.308 20 0 JBADLO NC(=O)[C@@H](CO)Nc1nc2cc(C[NH+]3CCN([C@@H]4CCOC4)CC3)sc2c(N2CCOCC2)n1 ZINC001158444435 1069309257 /nfs/dbraw/zinc/30/92/57/1069309257.db2.gz SLJHPPKMWMIGTH-CRAIPNDOSA-N 1 2 491.618 -0.308 20 0 JBADLO NC(=O)[C@@H](CO)Nc1nc2cc(CN3CC[NH+]([C@H]4CCOC4)CC3)sc2c(N2CCOCC2)n1 ZINC001158444436 1069309475 /nfs/dbraw/zinc/30/94/75/1069309475.db2.gz SLJHPPKMWMIGTH-MAUKXSAKSA-N 1 2 491.618 -0.308 20 0 JBADLO NC(=O)[C@@H](CO)Nc1nc2cc(C[NH+]3CCN([C@H]4CCOC4)CC3)sc2c(N2CCOCC2)n1 ZINC001158444436 1069309458 /nfs/dbraw/zinc/30/94/58/1069309458.db2.gz SLJHPPKMWMIGTH-MAUKXSAKSA-N 1 2 491.618 -0.308 20 0 JBADLO NC(=O)[C@H](CO)Nc1nc2cc(CN3CC[NH+]([C@@H]4CCOC4)CC3)sc2c(N2CCOCC2)n1 ZINC001158444438 1069309229 /nfs/dbraw/zinc/30/92/29/1069309229.db2.gz SLJHPPKMWMIGTH-QAPCUYQASA-N 1 2 491.618 -0.308 20 0 JBADLO NC(=O)[C@H](CO)Nc1nc2cc(C[NH+]3CCN([C@@H]4CCOC4)CC3)sc2c(N2CCOCC2)n1 ZINC001158444438 1069309218 /nfs/dbraw/zinc/30/92/18/1069309218.db2.gz SLJHPPKMWMIGTH-QAPCUYQASA-N 1 2 491.618 -0.308 20 0 JBADLO NC(=O)[C@H](CO)Nc1nc2cc(CN3CC[NH+]([C@H]4CCOC4)CC3)sc2c(N2CCOCC2)n1 ZINC001158444441 1069309427 /nfs/dbraw/zinc/30/94/27/1069309427.db2.gz SLJHPPKMWMIGTH-YJBOKZPZSA-N 1 2 491.618 -0.308 20 0 JBADLO NC(=O)[C@H](CO)Nc1nc2cc(C[NH+]3CCN([C@H]4CCOC4)CC3)sc2c(N2CCOCC2)n1 ZINC001158444441 1069309410 /nfs/dbraw/zinc/30/94/10/1069309410.db2.gz SLJHPPKMWMIGTH-YJBOKZPZSA-N 1 2 491.618 -0.308 20 0 JBADLO CCn1nnc2c1[C@@H](C(=O)N1CCCn3nnc(COCC(=O)N4CCCC4)c3C1)C[NH2+]C2 ZINC001158630518 1069310820 /nfs/dbraw/zinc/31/08/20/1069310820.db2.gz SHXUGUCAQFSXEF-HNNXBMFYSA-N 1 2 457.539 -0.352 20 0 JBADLO CCn1nnc2c1[C@H](C(=O)N1CCCn3nnc(COCC(=O)N4CCCC4)c3C1)C[NH2+]C2 ZINC001158630519 1069311177 /nfs/dbraw/zinc/31/11/77/1069311177.db2.gz SHXUGUCAQFSXEF-OAHLLOKOSA-N 1 2 457.539 -0.352 20 0 JBADLO C[C@@]1(C(=O)N2C[C@@H]3c4nc(N5CCOCC5)ncc4CS(=O)(=O)[C@@H]3C2)CC(F)(F)C[NH2+]1 ZINC001158681089 1069313081 /nfs/dbraw/zinc/31/30/81/1069313081.db2.gz JMMGSHDJWFJIHB-IYOUNJFTSA-N 1 2 457.503 -0.077 20 0 JBADLO C[C@]1(C(=O)N2C[C@@H]3c4nc(N5CCOCC5)ncc4CS(=O)(=O)[C@@H]3C2)CC(F)(F)C[NH2+]1 ZINC001158681090 1069313032 /nfs/dbraw/zinc/31/30/32/1069313032.db2.gz JMMGSHDJWFJIHB-PMUMKWKESA-N 1 2 457.503 -0.077 20 0 JBADLO [NH3+]Cc1ncc(C(=O)N2C[C@@H]3c4nc(N5CCOCC5)ncc4CS(=O)(=O)[C@@H]3C2)s1 ZINC001158692079 1069314709 /nfs/dbraw/zinc/31/47/09/1069314709.db2.gz AZZCYWYUHWYODG-GXTWGEPZSA-N 1 2 450.546 -0.235 20 0 JBADLO Cn1nc2c(c1C(=O)N1C[C@@H]3c4nc(N5CCOCC5)ncc4CS(=O)(=O)[C@@H]3C1)C[NH2+]C2 ZINC001158693317 1069315475 /nfs/dbraw/zinc/31/54/75/1069315475.db2.gz MLVBSKIKWXLZHR-GOEBONIOSA-N 1 2 459.532 -0.814 20 0 JBADLO O=C(c1cnc2n1CC[NH2+]C2)N1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC001158693408 1069315548 /nfs/dbraw/zinc/31/55/48/1069315548.db2.gz NAMRSVJECOVRQW-GOEBONIOSA-N 1 2 459.532 -0.851 20 0 JBADLO O=C(c1n[nH]c2c1C[NH2+]CC2)N1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC001158694028 1069315594 /nfs/dbraw/zinc/31/55/94/1069315594.db2.gz QSQQPOCPXIVFIH-GOEBONIOSA-N 1 2 459.532 -0.781 20 0 JBADLO Cc1cc2c(nc[nH+]c2N[C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)n1S(=O)(=O)c1ccccc1 ZINC001158974982 1069322883 /nfs/dbraw/zinc/32/28/83/1069322883.db2.gz OSTXIZSYYCMLKV-DINLJIAVSA-N 1 2 450.473 -0.811 20 0 JBADLO Cc1cc2c(nc[nH+]c2N[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2O)n1S(=O)(=O)c1ccccc1 ZINC001158974983 1069322594 /nfs/dbraw/zinc/32/25/94/1069322594.db2.gz OSTXIZSYYCMLKV-HLTONANMSA-N 1 2 450.473 -0.811 20 0 JBADLO Cc1ccc(S(=O)(=O)n2ccc3c2nc[nH+]c3N[C@H]2[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]2O)cc1 ZINC001158975388 1069322857 /nfs/dbraw/zinc/32/28/57/1069322857.db2.gz TTZSDAVSQBKBRY-DINLJIAVSA-N 1 2 450.473 -0.811 20 0 JBADLO Cc1ccc(S(=O)(=O)n2ccc3c2nc[nH+]c3N[C@@H]2[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]2O)cc1 ZINC001158975389 1069322561 /nfs/dbraw/zinc/32/25/61/1069322561.db2.gz TTZSDAVSQBKBRY-HLTONANMSA-N 1 2 450.473 -0.811 20 0 JBADLO O=C(c1cccnc1N[C@H]1[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]1O)N1CC[NH+](Cc2ccccc2)CC1 ZINC001158977746 1069322972 /nfs/dbraw/zinc/32/29/72/1069322972.db2.gz IYCKUPVGNFGNKT-MTSAVCEVSA-N 1 2 458.515 -0.749 20 0 JBADLO O=C(c1cccnc1N[C@@H]1[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]1O)N1CC[NH+](Cc2ccccc2)CC1 ZINC001158977747 1069322723 /nfs/dbraw/zinc/32/27/23/1069322723.db2.gz IYCKUPVGNFGNKT-ZFVCPDAYSA-N 1 2 458.515 -0.749 20 0 JBADLO CCOC(=O)c1sc2[nH]c(C[NH+]3CCCCC3)nc(=N[C@@H]3[C@@H](O)[C@H](O)[C@@H](CO)O[C@@H]3O)c2c1C ZINC001158979056 1069322773 /nfs/dbraw/zinc/32/27/73/1069322773.db2.gz VJLSNIVNANXYJX-NJOXWCFJSA-N 1 2 496.586 -0.204 20 0 JBADLO CCOC(=O)c1sc2[nH]c(C[NH+]3CCCCC3)nc(=N[C@H]3[C@H](O)O[C@H](CO)[C@@H](O)[C@@H]3O)c2c1C ZINC001158979057 1069322628 /nfs/dbraw/zinc/32/26/28/1069322628.db2.gz VJLSNIVNANXYJX-NROVFKPQSA-N 1 2 496.586 -0.204 20 0 JBADLO CCn1nnc2c1[C@@H](C(=O)N1CCC3(CN(S(C)(=O)=O)C[C@]34CCN(C)C4=O)CC1)C[NH2+]C2 ZINC001159180325 1069333178 /nfs/dbraw/zinc/33/31/78/1069333178.db2.gz CLPNIRKRMUNMAP-BTYIYWSLSA-N 1 2 479.607 -0.783 20 0 JBADLO CCn1nnc2c1[C@H](C(=O)N1CCC3(CN(S(C)(=O)=O)C[C@@]34CCN(C)C4=O)CC1)C[NH2+]C2 ZINC001159180326 1069333142 /nfs/dbraw/zinc/33/31/42/1069333142.db2.gz CLPNIRKRMUNMAP-QVKFZJNVSA-N 1 2 479.607 -0.783 20 0 JBADLO CCn1nnc2c1[C@H](C(=O)N1CCC3(CN(S(C)(=O)=O)C[C@]34CCN(C)C4=O)CC1)C[NH2+]C2 ZINC001159180327 1069332834 /nfs/dbraw/zinc/33/28/34/1069332834.db2.gz CLPNIRKRMUNMAP-VFNWGFHPSA-N 1 2 479.607 -0.783 20 0 JBADLO CCn1nnc2c1[C@@H](C(=O)N1CCC3(CN(S(C)(=O)=O)C[C@@]34CCN(C)C4=O)CC1)C[NH2+]C2 ZINC001159180328 1069333161 /nfs/dbraw/zinc/33/31/61/1069333161.db2.gz CLPNIRKRMUNMAP-YCRPNKLZSA-N 1 2 479.607 -0.783 20 0 JBADLO COC(=O)[C@@H]1C[C@@H](C(=O)N2CCC3(CN(S(C)(=O)=O)C[C@@]34CCN(C)C4=O)CC2)CC[NH2+]1 ZINC001159191700 1069337387 /nfs/dbraw/zinc/33/73/87/1069337387.db2.gz WXQKGJLQWXFDGG-CKJXQJPGSA-N 1 2 470.592 -0.740 20 0 JBADLO COC(=O)[C@@H]1C[C@@H](C(=O)N2CCC3(CN(S(C)(=O)=O)C[C@]34CCN(C)C4=O)CC2)CC[NH2+]1 ZINC001159191702 1069337475 /nfs/dbraw/zinc/33/74/75/1069337475.db2.gz WXQKGJLQWXFDGG-QYWGDWMGSA-N 1 2 470.592 -0.740 20 0 JBADLO COC(=O)[C@@H]1C[C@H](C(=O)N2CCC3(CN(S(C)(=O)=O)C[C@@]34CCN(C)C4=O)CC2)CC[NH2+]1 ZINC001159191703 1069337241 /nfs/dbraw/zinc/33/72/41/1069337241.db2.gz WXQKGJLQWXFDGG-VWKPWSFCSA-N 1 2 470.592 -0.740 20 0 JBADLO COC(=O)[C@@H]1C[C@H](C(=O)N2CCC3(CN(S(C)(=O)=O)C[C@]34CCN(C)C4=O)CC2)CC[NH2+]1 ZINC001159191704 1069337206 /nfs/dbraw/zinc/33/72/06/1069337206.db2.gz WXQKGJLQWXFDGG-XFQAVAEZSA-N 1 2 470.592 -0.740 20 0 JBADLO CN1CC[C@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)c2cnc4n2CC[NH2+]C4)CC3)C1=O ZINC001159191755 1069337300 /nfs/dbraw/zinc/33/73/00/1069337300.db2.gz XWVBVNFGOZARSI-FQEVSTJZSA-N 1 2 450.565 -0.668 20 0 JBADLO CN1CC[C@@]2(CN(S(C)(=O)=O)CC23CCN(C(=O)c2cnc4n2CC[NH2+]C4)CC3)C1=O ZINC001159191757 1069337578 /nfs/dbraw/zinc/33/75/78/1069337578.db2.gz XWVBVNFGOZARSI-HXUWFJFHSA-N 1 2 450.565 -0.668 20 0 JBADLO COc1ccccc1[C@@H]([NH3+])C(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@@H]2C(=O)N1CCOCC1 ZINC001159457002 1069346926 /nfs/dbraw/zinc/34/69/26/1069346926.db2.gz CKRLLXIHEAJAIO-RGIVZKHGSA-N 1 2 451.545 -0.185 20 0 JBADLO COc1ccccc1[C@@H]([NH3+])C(=O)N1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)N1CCOCC1 ZINC001159457003 1069346654 /nfs/dbraw/zinc/34/66/54/1069346654.db2.gz CKRLLXIHEAJAIO-YCEFEEMOSA-N 1 2 451.545 -0.185 20 0 JBADLO CC(C)(C)OC[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N1Cc2n[nH]c(C(=O)N3CCOCC3)c2C1 ZINC001159492928 1069350930 /nfs/dbraw/zinc/35/09/30/1069350930.db2.gz LOYATLBFHAXSIV-RDJZCZTQSA-N 1 2 462.551 -0.142 20 0 JBADLO COC(=O)[C@@H]([NH3+])CC(=O)N1CCC2(CC[C@@]3(C(=O)NCC(C)C)CN(S(C)(=O)=O)C[C@@H]23)CC1 ZINC001159508559 1069352395 /nfs/dbraw/zinc/35/23/95/1069352395.db2.gz XVXXTAHGXCCQBV-PNLZDCPESA-N 1 2 486.635 -0.071 20 0 JBADLO CC(C)CNC(=O)[C@@]12CCC3(CCN(C(=O)[C@@H]([NH3+])Cc4nn[nH]n4)CC3)[C@@H]1CN(S(C)(=O)=O)C2 ZINC001159508636 1069353342 /nfs/dbraw/zinc/35/33/42/1069353342.db2.gz ZVAOWYDIKIQTFO-CKJXQJPGSA-N 1 2 496.638 -0.878 20 0 JBADLO COC(=O)[C@H]1C[C@@H](C(=O)N2C[C@H]3C[C@H]4[C@@](CN(Cc5ccncc5)S4(=O)=O)(C2)O3)CC[NH2+]1 ZINC001159598940 1069356984 /nfs/dbraw/zinc/35/69/84/1069356984.db2.gz HFHREBOEDJQTNX-MVVOQFOESA-N 1 2 464.544 -0.493 20 0 JBADLO COC(=O)[C@H]1C[C@H](C(=O)N2C[C@H]3C[C@H]4[C@@](CN(Cc5ccncc5)S4(=O)=O)(C2)O3)CC[NH2+]1 ZINC001159598941 1069357658 /nfs/dbraw/zinc/35/76/58/1069357658.db2.gz HFHREBOEDJQTNX-NLJKLAEJSA-N 1 2 464.544 -0.493 20 0 JBADLO COC(=O)[C@@H]1C[C@H](C(=O)N2C[C@H]3C[C@H]4[C@@](CN(Cc5ccncc5)S4(=O)=O)(C2)O3)CC[NH2+]1 ZINC001159598942 1069357552 /nfs/dbraw/zinc/35/75/52/1069357552.db2.gz HFHREBOEDJQTNX-QKIGPUQLSA-N 1 2 464.544 -0.493 20 0 JBADLO COC(=O)[C@@H]1C[C@@H](C(=O)N2C[C@H]3C[C@H]4[C@@](CN(Cc5ccncc5)S4(=O)=O)(C2)O3)CC[NH2+]1 ZINC001159598943 1069357716 /nfs/dbraw/zinc/35/77/16/1069357716.db2.gz HFHREBOEDJQTNX-UONLAYADSA-N 1 2 464.544 -0.493 20 0 JBADLO CCn1nnc2c1[C@@H](C(=O)N1CC[C@@]3(C1)CN(c1cccnc1)C(=O)CN3C(C)=O)C[NH2+]C2 ZINC001159643917 1069362293 /nfs/dbraw/zinc/36/22/93/1069362293.db2.gz RTKPWYXEXTWFMU-HTAPYJJXSA-N 1 2 452.519 -0.254 20 0 JBADLO CCn1nnc2c1[C@@H](C(=O)N1CC[C@]3(C1)CN(c1cccnc1)C(=O)CN3C(C)=O)C[NH2+]C2 ZINC001159643918 1069361931 /nfs/dbraw/zinc/36/19/31/1069361931.db2.gz RTKPWYXEXTWFMU-JTSKRJEESA-N 1 2 452.519 -0.254 20 0 JBADLO CCn1nnc2c1[C@H](C(=O)N1CC[C@@]3(C1)CN(c1cccnc1)C(=O)CN3C(C)=O)C[NH2+]C2 ZINC001159643919 1069362274 /nfs/dbraw/zinc/36/22/74/1069362274.db2.gz RTKPWYXEXTWFMU-VGOFRKELSA-N 1 2 452.519 -0.254 20 0 JBADLO CCn1nnc2c1[C@H](C(=O)N1CC[C@]3(C1)CN(c1cccnc1)C(=O)CN3C(C)=O)C[NH2+]C2 ZINC001159643920 1069361967 /nfs/dbraw/zinc/36/19/67/1069361967.db2.gz RTKPWYXEXTWFMU-VGSWGCGISA-N 1 2 452.519 -0.254 20 0 JBADLO CCn1nnc2c1[C@@H](C(=O)N1CCCn3c(=O)cc(CNC(=O)c4ccco4)nc3C1)C[NH2+]C2 ZINC001159791141 1069369415 /nfs/dbraw/zinc/36/94/15/1069369415.db2.gz SZCBZDQCUJENPE-HNNXBMFYSA-N 1 2 466.502 -0.003 20 0 JBADLO CCn1nnc2c1[C@H](C(=O)N1CCCn3c(=O)cc(CNC(=O)c4ccco4)nc3C1)C[NH2+]C2 ZINC001159791142 1069369483 /nfs/dbraw/zinc/36/94/83/1069369483.db2.gz SZCBZDQCUJENPE-OAHLLOKOSA-N 1 2 466.502 -0.003 20 0 JBADLO CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](Nc2nc(C)[nH+]c(N(C)C)n2)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC001159824115 1069371123 /nfs/dbraw/zinc/37/11/23/1069371123.db2.gz WGWLOWZAGXRYNE-DUQPFJRNSA-N 1 2 483.478 -0.259 20 0 JBADLO COC(=O)CNC(=O)CNc1nc2cc(C[NH+]3CCN(C)CC3)sc2c(N2CCOCC2)n1 ZINC001159827438 1069371929 /nfs/dbraw/zinc/37/19/29/1069371929.db2.gz XKTXMTGUMDESDU-UHFFFAOYSA-N 1 2 477.591 -0.024 20 0 JBADLO COC(=O)c1cc2c(cc(Cl)nc2Nc2ccn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3[NH3+])c(=O)n2)[nH]1 ZINC001160088018 1069379490 /nfs/dbraw/zinc/37/94/90/1069379490.db2.gz NAUYBTCSOQNQQD-DSPGLSBSSA-N 1 2 450.839 -0.285 20 0 JBADLO [NH3+][C@H]1[C@H](n2ccc(Nc3ncccc3S(=O)(=O)Nc3cccc(F)c3)nc2=O)O[C@H](CO)[C@H]1O ZINC001160092803 1069380100 /nfs/dbraw/zinc/38/01/00/1069380100.db2.gz LONRZGRBZFQUPO-VVHMCBODSA-N 1 2 492.489 -0.266 20 0 JBADLO CN(CC[N@@H+](C)CCN1C(=O)c2ccccc2C1=O)C(=O)CN(C)[C@H]1CCS(=O)(=O)C1 ZINC001160334624 1069386810 /nfs/dbraw/zinc/38/68/10/1069386810.db2.gz UXCRJUCRQIKLAH-INIZCTEOSA-N 1 2 450.561 -0.208 20 0 JBADLO CN(CC[N@H+](C)CCN1C(=O)c2ccccc2C1=O)C(=O)CN(C)[C@H]1CCS(=O)(=O)C1 ZINC001160334624 1069386795 /nfs/dbraw/zinc/38/67/95/1069386795.db2.gz UXCRJUCRQIKLAH-INIZCTEOSA-N 1 2 450.561 -0.208 20 0 JBADLO CN(CC[N@@H+](C)CCN1C(=O)c2ccccc2C1=O)C(=O)CN(C)[C@@H]1CCS(=O)(=O)C1 ZINC001160334625 1069386971 /nfs/dbraw/zinc/38/69/71/1069386971.db2.gz UXCRJUCRQIKLAH-MRXNPFEDSA-N 1 2 450.561 -0.208 20 0 JBADLO CN(CC[N@H+](C)CCN1C(=O)c2ccccc2C1=O)C(=O)CN(C)[C@@H]1CCS(=O)(=O)C1 ZINC001160334625 1069386967 /nfs/dbraw/zinc/38/69/67/1069386967.db2.gz UXCRJUCRQIKLAH-MRXNPFEDSA-N 1 2 450.561 -0.208 20 0 JBADLO CCn1nnc2c1[C@H](C(=O)N1Cc3nccn3C[C@@H](CNC(=O)c3ccnnc3)C1)C[NH2+]C2 ZINC001160335599 1069387011 /nfs/dbraw/zinc/38/70/11/1069387011.db2.gz PYALFMDPCUCVSI-GDBMZVCRSA-N 1 2 450.507 -0.440 20 0 JBADLO CCn1nnc2c1[C@H](C(=O)N1Cc3nccn3C[C@H](CNC(=O)c3ccnnc3)C1)C[NH2+]C2 ZINC001160335600 1069387024 /nfs/dbraw/zinc/38/70/24/1069387024.db2.gz PYALFMDPCUCVSI-GOEBONIOSA-N 1 2 450.507 -0.440 20 0 JBADLO CCn1nnc2c1[C@@H](C(=O)N1Cc3nccn3C[C@H](CNC(=O)c3ccnnc3)C1)C[NH2+]C2 ZINC001160335601 1069386926 /nfs/dbraw/zinc/38/69/26/1069386926.db2.gz PYALFMDPCUCVSI-HOCLYGCPSA-N 1 2 450.507 -0.440 20 0 JBADLO CCn1nnc2c1[C@@H](C(=O)N1Cc3nccn3C[C@@H](CNC(=O)c3ccnnc3)C1)C[NH2+]C2 ZINC001160335602 1069386762 /nfs/dbraw/zinc/38/67/62/1069386762.db2.gz PYALFMDPCUCVSI-ZBFHGGJFSA-N 1 2 450.507 -0.440 20 0 JBADLO CCn1nnc2c1[C@@H](C(=O)N1CCc3ncc(CNC(=O)c4nccn4C)n3CC1)C[NH2+]C2 ZINC001160403965 1069392416 /nfs/dbraw/zinc/39/24/16/1069392416.db2.gz GQOXEAZMNWBTIP-HNNXBMFYSA-N 1 2 452.523 -0.570 20 0 JBADLO CCn1nnc2c1[C@H](C(=O)N1CCc3ncc(CNC(=O)c4nccn4C)n3CC1)C[NH2+]C2 ZINC001160403967 1069392119 /nfs/dbraw/zinc/39/21/19/1069392119.db2.gz GQOXEAZMNWBTIP-OAHLLOKOSA-N 1 2 452.523 -0.570 20 0 JBADLO CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[C@@H]([NH3+])C(=O)OCc1ccccc1)C(=O)NCC(N)=O ZINC001160629403 1069398605 /nfs/dbraw/zinc/39/86/05/1069398605.db2.gz QLURXZMZHPNTNT-QYZOEREBSA-N 1 2 489.573 -0.429 20 0 JBADLO COC(=O)c1cnc(N[C@@H](Cc2c[nH+]cn2C)C(=O)OC)c(S(=O)(=O)N2CCOCC2)c1 ZINC001160696235 1069401918 /nfs/dbraw/zinc/40/19/18/1069401918.db2.gz LBVOADNXNIFTLW-HNNXBMFYSA-N 1 2 467.504 -0.181 20 0 JBADLO COC(=O)c1cnc(N[C@H](Cc2c[nH+]cn2C)C(=O)OC)c(S(=O)(=O)N2CCOCC2)c1 ZINC001160696236 1069402024 /nfs/dbraw/zinc/40/20/24/1069402024.db2.gz LBVOADNXNIFTLW-OAHLLOKOSA-N 1 2 467.504 -0.181 20 0 JBADLO Cc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001160836224 1069404725 /nfs/dbraw/zinc/40/47/25/1069404725.db2.gz CHBJOHMWZPFXCW-INIZCTEOSA-N 1 2 457.535 -0.573 20 0 JBADLO Cc1nc2c(C(N)=O)cnn2c(C)c1CCC(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001160836227 1069404791 /nfs/dbraw/zinc/40/47/91/1069404791.db2.gz CHBJOHMWZPFXCW-MRXNPFEDSA-N 1 2 457.535 -0.573 20 0 JBADLO COC(=O)[C@@H](N)CC(=O)N1C[C@@H]([NH+]2CCN(c3ncccn3)CC2)C[C@H]1C(=O)N1CCC(F)(F)C1 ZINC001160991347 1069409796 /nfs/dbraw/zinc/40/97/96/1069409796.db2.gz BSBDYARQSWGYSG-ULQDDVLXSA-N 1 2 495.531 -0.674 20 0 JBADLO O=C([C@@H]1C[C@H](N2CCN(c3ncccn3)CC2)CN1C(=O)[C@@H]1COCC[NH2+]1)N1CCC(F)(F)C1 ZINC001160992152 1069410394 /nfs/dbraw/zinc/41/03/94/1069410394.db2.gz IOZWZPMIVKFXRL-BZSNNMDCSA-N 1 2 479.532 -0.576 20 0 JBADLO CCOC(=O)[C@@H](N)C(=O)N1C[C@@H]([NH+]2CCN(c3ncccn3)CC2)C[C@H]1C(=O)N1CCC(F)(F)C1 ZINC001160992179 1069410365 /nfs/dbraw/zinc/41/03/65/1069410365.db2.gz IYHMDKNSOOHYJG-ULQDDVLXSA-N 1 2 495.531 -0.674 20 0 JBADLO CCOC(=O)[C@H](N)C(=O)N1C[C@@H]([NH+]2CCN(c3ncccn3)CC2)C[C@H]1C(=O)N1CCC(F)(F)C1 ZINC001160992499 1069410579 /nfs/dbraw/zinc/41/05/79/1069410579.db2.gz IYHMDKNSOOHYJG-YESZJQIVSA-N 1 2 495.531 -0.674 20 0 JBADLO C[C@]1(C(=O)N2C[C@@H](N3CCN(c4ncccn4)CC3)C[C@H]2C(=O)N2CCC(F)(F)C2)COCC[NH2+]1 ZINC001160992658 1069410514 /nfs/dbraw/zinc/41/05/14/1069410514.db2.gz KDTBABHIIOIMKB-NPPFBWRTSA-N 1 2 493.559 -0.186 20 0 JBADLO C[C@@]1(C(=O)N2C[C@@H](N3CCN(c4ncccn4)CC3)C[C@H]2C(=O)N2CCC(F)(F)C2)COCC[NH2+]1 ZINC001160992660 1069411215 /nfs/dbraw/zinc/41/12/15/1069411215.db2.gz KDTBABHIIOIMKB-SPEDKVCISA-N 1 2 493.559 -0.186 20 0 JBADLO CONCCC(=O)N1C[C@@H]([NH+]2CCN(c3ncccn3)CC2)C[C@H]1C(=O)N1CCC(F)(F)C1 ZINC001160993331 1069411407 /nfs/dbraw/zinc/41/14/07/1069411407.db2.gz ORDRMXTUZYZWHR-IRXDYDNUSA-N 1 2 467.521 -0.023 20 0 JBADLO O=C([C@@H]1CNC(=O)N1)N1C[C@@H]([NH+]2CCN(c3ncccn3)CC2)C[C@H]1C(=O)N1CCC(F)(F)C1 ZINC001160993467 1069412148 /nfs/dbraw/zinc/41/21/48/1069412148.db2.gz SHYLIDQHRUKLQN-JYJNAYRXSA-N 1 2 478.504 -0.883 20 0 JBADLO [NH3+]C1(C(=O)N2C[C@@H](N3CCN(c4ncccn4)CC3)C[C@H]2C(=O)N2CCC(F)(F)C2)COC1 ZINC001160993512 1069411996 /nfs/dbraw/zinc/41/19/96/1069411996.db2.gz VBTHGAYORAFOQF-HOTGVXAUSA-N 1 2 465.505 -0.837 20 0 JBADLO COC(=O)[C@]1([NH3+])CCN(C(=O)[C@@H]2CCCN2C(=O)CNS(=O)(=O)c2ccc(C)cc2)C1 ZINC001161137956 1069417989 /nfs/dbraw/zinc/41/79/89/1069417989.db2.gz IYHMHXMNXURVGI-JXFKEZNVSA-N 1 2 452.533 -0.633 20 0 JBADLO COC(=O)[C@@]1([NH3+])CCN(C(=O)[C@@H]2CCCN2C(=O)CNS(=O)(=O)c2ccc(C)cc2)C1 ZINC001161137957 1069418217 /nfs/dbraw/zinc/41/82/17/1069418217.db2.gz IYHMHXMNXURVGI-OXJNMPFZSA-N 1 2 452.533 -0.633 20 0 JBADLO COC(=O)[C@]1([NH3+])CCN(C(=O)c2ccc3nnc([C@@H]4CN(C(=O)N(C)C)CCN4C)n3c2)C1 ZINC001161138702 1069418177 /nfs/dbraw/zinc/41/81/77/1069418177.db2.gz DPTOAZALSIPZIG-BTYIYWSLSA-N 1 2 458.523 -0.584 20 0 JBADLO COC(=O)[C@@]1([NH3+])CCN(C(=O)c2ccc3nnc([C@H]4CN(C(=O)N(C)C)CCN4C)n3c2)C1 ZINC001161138703 1069417959 /nfs/dbraw/zinc/41/79/59/1069417959.db2.gz DPTOAZALSIPZIG-QVKFZJNVSA-N 1 2 458.523 -0.584 20 0 JBADLO COC(=O)[C@]1([NH3+])CCN(C(=O)c2ccc3nnc([C@H]4CN(C(=O)N(C)C)CCN4C)n3c2)C1 ZINC001161138704 1069417947 /nfs/dbraw/zinc/41/79/47/1069417947.db2.gz DPTOAZALSIPZIG-VFNWGFHPSA-N 1 2 458.523 -0.584 20 0 JBADLO COC(=O)[C@@]1([NH3+])CCN(C(=O)c2ccc3nnc([C@@H]4CN(C(=O)N(C)C)CCN4C)n3c2)C1 ZINC001161138705 1069418233 /nfs/dbraw/zinc/41/82/33/1069418233.db2.gz DPTOAZALSIPZIG-YCRPNKLZSA-N 1 2 458.523 -0.584 20 0 JBADLO COC(=O)[C@@]1([NH3+])CCN(C(=O)[C@@H]2N3C(=O)[C@@H](NC(=O)Cc4ccccc4)[C@H]3SC2(C)C)C1 ZINC001161138723 1069418153 /nfs/dbraw/zinc/41/81/53/1069418153.db2.gz XPGXTCIDGOIOLS-LIWAJOSJSA-N 1 2 460.556 -0.121 20 0 JBADLO COC(=O)[C@]1([NH3+])CCN(C(=O)[C@@H]2N3C(=O)[C@@H](NC(=O)Cc4ccccc4)[C@H]3SC2(C)C)C1 ZINC001161138726 1069418024 /nfs/dbraw/zinc/41/80/24/1069418024.db2.gz XPGXTCIDGOIOLS-LQLPYNBSSA-N 1 2 460.556 -0.121 20 0 JBADLO COC(=O)[C@]1([NH3+])CCN(C(=O)c2ccc3nnc([C@@H]4CN(c5ncccn5)CCN4C)n3c2)C1 ZINC001161138938 1069418129 /nfs/dbraw/zinc/41/81/29/1069418129.db2.gz HSJATNSJYBFNDU-AOMKIAJQSA-N 1 2 465.518 -0.271 20 0 JBADLO COC(=O)[C@@]1([NH3+])CCN(C(=O)c2ccc3nnc([C@@H]4CN(c5ncccn5)CCN4C)n3c2)C1 ZINC001161138939 1069418007 /nfs/dbraw/zinc/41/80/07/1069418007.db2.gz HSJATNSJYBFNDU-KSFYIVLOSA-N 1 2 465.518 -0.271 20 0 JBADLO COC(=O)[C@@]1([NH3+])CCN(C(=O)c2ccc3nnc([C@H]4CN(c5ncccn5)CCN4C)n3c2)C1 ZINC001161138940 1069418049 /nfs/dbraw/zinc/41/80/49/1069418049.db2.gz HSJATNSJYBFNDU-OPAMFIHVSA-N 1 2 465.518 -0.271 20 0 JBADLO COC(=O)[C@]1([NH3+])CCN(C(=O)c2ccc3nnc([C@H]4CN(c5ncccn5)CCN4C)n3c2)C1 ZINC001161138941 1069418271 /nfs/dbraw/zinc/41/82/71/1069418271.db2.gz HSJATNSJYBFNDU-ZHRRBRCNSA-N 1 2 465.518 -0.271 20 0 JBADLO COC(=O)[C@]1([NH3+])CCN(C(=O)c2ncn3c2CN(CC(=O)N(C)C)S(=O)(=O)c2ccccc2-3)C1 ZINC001161139445 1069418727 /nfs/dbraw/zinc/41/87/27/1069418727.db2.gz UQSJVMJJBUKDDQ-NRFANRHFSA-N 1 2 490.542 -0.819 20 0 JBADLO COC(=O)[C@@]1([NH3+])CCN(C(=O)c2ncn3c2CN(CC(=O)N(C)C)S(=O)(=O)c2ccccc2-3)C1 ZINC001161139446 1069418864 /nfs/dbraw/zinc/41/88/64/1069418864.db2.gz UQSJVMJJBUKDDQ-OAQYLSRUSA-N 1 2 490.542 -0.819 20 0 JBADLO CN(C)S(=O)(=O)c1ccc(N2CCN(C(=O)c3n[nH]c4c3C[NH2+]CC4)CC2)c2nonc21 ZINC001161152932 1069418823 /nfs/dbraw/zinc/41/88/23/1069418823.db2.gz BRDZEDAUGUSSBL-UHFFFAOYSA-N 1 2 460.520 -0.196 20 0 JBADLO COC(=O)[C@@H]1C[C@@H](C(=O)N2CCN(c3ccc(S(=O)(=O)N(C)C)c4nonc43)CC2)CC[NH2+]1 ZINC001161153902 1069420731 /nfs/dbraw/zinc/42/07/31/1069420731.db2.gz RPJLSTGVXABMHY-KBPBESRZSA-N 1 2 480.547 -0.337 20 0 JBADLO COC(=O)[C@@H]1C[C@H](C(=O)N2CCN(c3ccc(S(=O)(=O)N(C)C)c4nonc43)CC2)CC[NH2+]1 ZINC001161153903 1069420801 /nfs/dbraw/zinc/42/08/01/1069420801.db2.gz RPJLSTGVXABMHY-KGLIPLIRSA-N 1 2 480.547 -0.337 20 0 JBADLO COC(=O)[C@H]1C[C@@H](C(=O)N2CCN(c3ccc(S(=O)(=O)N(C)C)c4nonc43)CC2)CC[NH2+]1 ZINC001161153904 1069420824 /nfs/dbraw/zinc/42/08/24/1069420824.db2.gz RPJLSTGVXABMHY-UONOGXRCSA-N 1 2 480.547 -0.337 20 0 JBADLO COC(=O)[C@H]1C[C@H](C(=O)N2CCN(c3ccc(S(=O)(=O)N(C)C)c4nonc43)CC2)CC[NH2+]1 ZINC001161153905 1069420702 /nfs/dbraw/zinc/42/07/02/1069420702.db2.gz RPJLSTGVXABMHY-ZIAGYGMSSA-N 1 2 480.547 -0.337 20 0 JBADLO CC(C)S(=O)(=O)N1CCC(CNc2nc(N3CCOCC3)[nH+]c(N3CCOCC3)n2)CC1 ZINC001161251861 1069423309 /nfs/dbraw/zinc/42/33/09/1069423309.db2.gz CLSDEAYUCRFHKR-UHFFFAOYSA-N 1 2 469.612 -0.171 20 0 JBADLO CC(C)S(=O)(=O)N1CCC(CNc2nc(N3CCOCC3)nc(N3CCOCC3)[nH+]2)CC1 ZINC001161251861 1069423294 /nfs/dbraw/zinc/42/32/94/1069423294.db2.gz CLSDEAYUCRFHKR-UHFFFAOYSA-N 1 2 469.612 -0.171 20 0 JBADLO Cc1cn([C@H]2C[C@H](Nc3nc(N4CCCC4)[nH+]c(N4CCCC4)n3)[C@@H](CO)O2)c(=O)[nH]c1=O ZINC001161490491 1069428006 /nfs/dbraw/zinc/42/80/06/1069428006.db2.gz GLACBHKCCDBOMR-ARFHVFGLSA-N 1 2 458.523 -0.175 20 0 JBADLO O=C1COCCN1c1cccc(CNc2nc(N3CCOCC3)[nH+]c(N3CCOCC3)n2)c1 ZINC001161615567 1069430107 /nfs/dbraw/zinc/43/01/07/1069430107.db2.gz ZSMIHLBXHCDDEJ-UHFFFAOYSA-N 1 2 455.519 -0.058 20 0 JBADLO O=C1COCCN1c1cccc(CNc2nc(N3CCOCC3)nc(N3CCOCC3)[nH+]2)c1 ZINC001161615567 1069430104 /nfs/dbraw/zinc/43/01/04/1069430104.db2.gz ZSMIHLBXHCDDEJ-UHFFFAOYSA-N 1 2 455.519 -0.058 20 0 JBADLO O=C(N[C@H]1CC[C@H](Nc2nc(N3CCOCC3)[nH+]c(N3CCOCC3)n2)CC1)[C@@H]1CCCO1 ZINC001161660840 1069430124 /nfs/dbraw/zinc/43/01/24/1069430124.db2.gz BULPIYGRWXURDA-BZSNNMDCSA-N 1 2 461.567 -0.015 20 0 JBADLO O=C(N[C@H]1CC[C@H](Nc2nc(N3CCOCC3)nc(N3CCOCC3)[nH+]2)CC1)[C@@H]1CCCO1 ZINC001161660840 1069430122 /nfs/dbraw/zinc/43/01/22/1069430122.db2.gz BULPIYGRWXURDA-BZSNNMDCSA-N 1 2 461.567 -0.015 20 0 JBADLO CC(=O)OC[C@H]1O[C@@H](n2cc(NCCCn3cc[nH+]c3)c(=O)[nH]c2=O)[C@H](OC(C)=O)[C@@H]1OC(C)=O ZINC001161688862 1069429973 /nfs/dbraw/zinc/42/99/73/1069429973.db2.gz AAAMJIVFJYWPDY-SOAMZJECSA-N 1 2 493.473 -0.029 20 0 JBADLO NC(=O)[C@H](CCC(=O)OCc1ccccc1)Nc1nc(N2CCOCC2)[nH+]c(N2CCOCC2)n1 ZINC001161763316 1069430084 /nfs/dbraw/zinc/43/00/84/1069430084.db2.gz HCTQDHXELYVQFO-SFHVURJKSA-N 1 2 485.545 -0.244 20 0 JBADLO NC(=O)[C@H](CCC(=O)OCc1ccccc1)Nc1nc(N2CCOCC2)nc(N2CCOCC2)[nH+]1 ZINC001161763316 1069430080 /nfs/dbraw/zinc/43/00/80/1069430080.db2.gz HCTQDHXELYVQFO-SFHVURJKSA-N 1 2 485.545 -0.244 20 0 JBADLO COC(=O)c1cc(S(N)(=O)=O)cnc1NCc1cc(N2CCS(=O)(=O)CC2)cc[nH+]1 ZINC001162068583 1069437764 /nfs/dbraw/zinc/43/77/64/1069437764.db2.gz GJKWAPPYICRHCJ-UHFFFAOYSA-N 1 2 455.518 -0.243 20 0 JBADLO O=C1NCCCN1c1ccc(CNc2nc(N3CCOCC3)[nH+]c(N3CCOCC3)n2)cn1 ZINC001162085226 1069437655 /nfs/dbraw/zinc/43/76/55/1069437655.db2.gz MQQMTESBZZDJOC-UHFFFAOYSA-N 1 2 455.523 -0.107 20 0 JBADLO O=C1NCCCN1c1ccc(CNc2nc(N3CCOCC3)nc(N3CCOCC3)[nH+]2)cn1 ZINC001162085226 1069437644 /nfs/dbraw/zinc/43/76/44/1069437644.db2.gz MQQMTESBZZDJOC-UHFFFAOYSA-N 1 2 455.523 -0.107 20 0 JBADLO CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNc1cc(N2CCOCC2)[nH+]cn1)C(N)=O ZINC001162273565 1069439491 /nfs/dbraw/zinc/43/94/91/1069439491.db2.gz PAAFZZLMDLYLSC-HOTGVXAUSA-N 1 2 481.623 -0.021 20 0 JBADLO CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNc1cc(N2CCOCC2)nc[nH+]1)C(N)=O ZINC001162273565 1069439482 /nfs/dbraw/zinc/43/94/82/1069439482.db2.gz PAAFZZLMDLYLSC-HOTGVXAUSA-N 1 2 481.623 -0.021 20 0 JBADLO C[N@H+]1CCO[C@H](CNc2ccc(I)c(-c3nn[nH]n3)c2S(N)(=O)=O)C1 ZINC001162683859 1069442415 /nfs/dbraw/zinc/44/24/15/1069442415.db2.gz NTMBNRLXDMRWBG-MRVPVSSYSA-N 1 2 479.304 -0.139 20 0 JBADLO C[N@@H+]1CCO[C@H](CNc2ccc(I)c(-c3nn[nH]n3)c2S(N)(=O)=O)C1 ZINC001162683859 1069442410 /nfs/dbraw/zinc/44/24/10/1069442410.db2.gz NTMBNRLXDMRWBG-MRVPVSSYSA-N 1 2 479.304 -0.139 20 0 JBADLO C[N@H+]1CCO[C@@H](CNc2ccc(I)c(-c3nn[nH]n3)c2S(N)(=O)=O)C1 ZINC001162683860 1069442268 /nfs/dbraw/zinc/44/22/68/1069442268.db2.gz NTMBNRLXDMRWBG-QMMMGPOBSA-N 1 2 479.304 -0.139 20 0 JBADLO C[N@@H+]1CCO[C@@H](CNc2ccc(I)c(-c3nn[nH]n3)c2S(N)(=O)=O)C1 ZINC001162683860 1069442263 /nfs/dbraw/zinc/44/22/63/1069442263.db2.gz NTMBNRLXDMRWBG-QMMMGPOBSA-N 1 2 479.304 -0.139 20 0 JBADLO C[C@@H](O)[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)Nc1nc(N2CCCC2)[nH+]c(N2CCCC2)n1)C(N)=O ZINC001163433085 1069452493 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1069461380 /nfs/dbraw/zinc/46/13/80/1069461380.db2.gz JYMLNYZUPHIJII-RCOVLWMOSA-N 1 2 493.287 -0.566 20 0 JBADLO COCCN1CC[N@@H+](C)C2(CCN(c3nc4c(ncn4C)c(N4CCOCC4)n3)CC2)C1=O ZINC001164632838 719271578 /nfs/dbraw/zinc/27/15/78/719271578.db2.gz DEMMETJPMROIJH-UHFFFAOYSA-N 1 2 458.567 -0.041 20 0 JBADLO COCCN1CC[N@H+](C)C2(CCN(c3nc4c(ncn4C)c(N4CCOCC4)n3)CC2)C1=O ZINC001164632838 719271575 /nfs/dbraw/zinc/27/15/75/719271575.db2.gz DEMMETJPMROIJH-UHFFFAOYSA-N 1 2 458.567 -0.041 20 0 JBADLO COCCN1CC[N@@H+](C)C2(CCN(c3ncccc3S(=O)(=O)N3CCOCC3)CC2)C1=O ZINC001164637916 719277636 /nfs/dbraw/zinc/27/76/36/719277636.db2.gz BAXCWWHYTCGDEC-UHFFFAOYSA-N 1 2 467.592 -0.138 20 0 JBADLO COCCN1CC[N@H+](C)C2(CCN(c3ncccc3S(=O)(=O)N3CCOCC3)CC2)C1=O ZINC001164637916 719277632 /nfs/dbraw/zinc/27/76/32/719277632.db2.gz BAXCWWHYTCGDEC-UHFFFAOYSA-N 1 2 467.592 -0.138 20 0 JBADLO COCCN1CC[N@@H+](C)C2(CCN(c3ccc(S(=O)(=O)N4CCOCC4)cn3)CC2)C1=O ZINC001164644113 719280619 /nfs/dbraw/zinc/28/06/19/719280619.db2.gz 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ZINC001165851109 1069477806 /nfs/dbraw/zinc/47/78/06/1069477806.db2.gz RBYRSBQXBOOOGJ-UHFFFAOYSA-N 1 2 459.503 -0.025 20 0 JBADLO NC(=O)[C@@H]1CCCN1c1cc(N2CCOC[C@]3(CC[C@@H](CNC(=O)c4cnccn4)O3)C2)nc[nH+]1 ZINC001165873124 1069477781 /nfs/dbraw/zinc/47/77/81/1069477781.db2.gz YXZJYLRSGMHJCY-CEXJFXJFSA-N 1 2 482.545 -0.095 20 0 JBADLO NC(=O)[C@@H]1CCCN1c1cc(N2CCOC[C@]3(CC[C@@H](CNC(=O)c4cnccn4)O3)C2)[nH+]cn1 ZINC001165873124 1069477777 /nfs/dbraw/zinc/47/77/77/1069477777.db2.gz YXZJYLRSGMHJCY-CEXJFXJFSA-N 1 2 482.545 -0.095 20 0 JBADLO NC(=O)[C@@H]1CCCN1c1cc(N2CCOC[C@]3(CC[C@H](CNC(=O)c4cnccn4)O3)C2)nc[nH+]1 ZINC001165873125 1069477882 /nfs/dbraw/zinc/47/78/82/1069477882.db2.gz YXZJYLRSGMHJCY-QSAZIKIQSA-N 1 2 482.545 -0.095 20 0 JBADLO NC(=O)[C@@H]1CCCN1c1cc(N2CCOC[C@]3(CC[C@H](CNC(=O)c4cnccn4)O3)C2)[nH+]cn1 ZINC001165873125 1069477877 /nfs/dbraw/zinc/47/78/77/1069477877.db2.gz YXZJYLRSGMHJCY-QSAZIKIQSA-N 1 2 482.545 -0.095 20 0 JBADLO NC(=O)[C@H]1CCCN1c1cc(N2CCOC[C@]3(CC[C@H](CNC(=O)c4cnccn4)O3)C2)nc[nH+]1 ZINC001165873126 1069478616 /nfs/dbraw/zinc/47/86/16/1069478616.db2.gz YXZJYLRSGMHJCY-UQNRQAKVSA-N 1 2 482.545 -0.095 20 0 JBADLO NC(=O)[C@H]1CCCN1c1cc(N2CCOC[C@]3(CC[C@H](CNC(=O)c4cnccn4)O3)C2)[nH+]cn1 ZINC001165873126 1069478609 /nfs/dbraw/zinc/47/86/09/1069478609.db2.gz YXZJYLRSGMHJCY-UQNRQAKVSA-N 1 2 482.545 -0.095 20 0 JBADLO NC(=O)[C@H]1CCCN1c1cc(N2CCOC[C@]3(CC[C@@H](CNC(=O)c4cnccn4)O3)C2)nc[nH+]1 ZINC001165873127 1069478533 /nfs/dbraw/zinc/47/85/33/1069478533.db2.gz YXZJYLRSGMHJCY-XAEMIUIASA-N 1 2 482.545 -0.095 20 0 JBADLO NC(=O)[C@H]1CCCN1c1cc(N2CCOC[C@]3(CC[C@@H](CNC(=O)c4cnccn4)O3)C2)[nH+]cn1 ZINC001165873127 1069478528 /nfs/dbraw/zinc/47/85/28/1069478528.db2.gz YXZJYLRSGMHJCY-XAEMIUIASA-N 1 2 482.545 -0.095 20 0 JBADLO O=C(N[C@@H]1CN(c2nc(N3CCOCC3)nc(N3CCOCC3)[nH+]2)[C@@H]2COC[C@H]12)C1CCC1 ZINC001165930624 1069478500 /nfs/dbraw/zinc/47/85/00/1069478500.db2.gz FLDHPEQUUIKDCL-KZNAEPCWSA-N 1 2 459.551 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KLOUVHSBKQYIEA-WJONJSRFSA-N 1 2 451.535 -0.058 20 0 JBADLO CNC(=O)[C@]12CN(c3cc(N4CCC[C@H]4C(N)=O)nc[nH+]3)C[C@H]1N(c1ncccn1)CCC2 ZINC001165989206 1069479848 /nfs/dbraw/zinc/47/98/48/1069479848.db2.gz KLOUVHSBKQYIEA-WJONJSRFSA-N 1 2 451.535 -0.058 20 0 JBADLO CNC(=O)[C@]12CN(c3cc(N4CCC[C@@H]4C(N)=O)[nH+]cn3)C[C@H]1N(c1ncccn1)CCC2 ZINC001165989207 1069479956 /nfs/dbraw/zinc/47/99/56/1069479956.db2.gz KLOUVHSBKQYIEA-XCGNWRKASA-N 1 2 451.535 -0.058 20 0 JBADLO CNC(=O)[C@]12CN(c3cc(N4CCC[C@@H]4C(N)=O)nc[nH+]3)C[C@H]1N(c1ncccn1)CCC2 ZINC001165989207 1069479953 /nfs/dbraw/zinc/47/99/53/1069479953.db2.gz KLOUVHSBKQYIEA-XCGNWRKASA-N 1 2 451.535 -0.058 20 0 JBADLO O=C(NCC1CC1)[C@@H]1C[C@@H]2[C@@H](CCN2c2nc(N3CCOCC3)nc(N3CCOCC3)[nH+]2)O1 ZINC001166070232 1069480615 /nfs/dbraw/zinc/48/06/15/1069480615.db2.gz ZOVYYODXRBWXHX-KURKYZTESA-N 1 2 459.551 -0.193 20 0 JBADLO O=C(NCC1CC1)[C@@H]1C[C@@H]2[C@@H](CCN2c2nc(N3CCOCC3)[nH+]c(N3CCOCC3)n2)O1 ZINC001166070232 1069480613 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/nfs/dbraw/zinc/48/14/13/1069481413.db2.gz CRTPXPOHSYUKBQ-SJORKVTESA-N 1 2 482.611 -0.891 20 0 JBADLO CN(C)S(=O)(=O)N1CC[C@@H]2CN(c3nc(N4CCOCC4)nc(N4CCOCC4)[nH+]3)C[C@H]2C1 ZINC001166222916 1069481401 /nfs/dbraw/zinc/48/14/01/1069481401.db2.gz CRTPXPOHSYUKBQ-SJORKVTESA-N 1 2 482.611 -0.891 20 0 JBADLO CN(C)C(=O)N[C@@H]1CCO[C@]2(CCN(c3nc(N4CCOCC4)[nH+]c(N4CCOCC4)n3)C2)C1 ZINC001166248541 1069481224 /nfs/dbraw/zinc/48/12/24/1069481224.db2.gz WVKGUCWRVDZONU-VGOFRKELSA-N 1 2 476.582 -0.056 20 0 JBADLO CN(C)C(=O)N[C@@H]1CCO[C@]2(CCN(c3nc(N4CCOCC4)nc(N4CCOCC4)[nH+]3)C2)C1 ZINC001166248541 1069481216 /nfs/dbraw/zinc/48/12/16/1069481216.db2.gz WVKGUCWRVDZONU-VGOFRKELSA-N 1 2 476.582 -0.056 20 0 JBADLO Cn1cc(C(=O)NC[C@H]2OC[C@@H]3CN(c4cc(N5CCC[C@@H]5C(N)=O)[nH+]cn4)CC[C@@H]32)cn1 ZINC001166266329 1069481191 /nfs/dbraw/zinc/48/11/91/1069481191.db2.gz KGLYTAXHSGHNSR-WNRNVDISSA-N 1 2 454.535 -0.065 20 0 JBADLO Cn1cc(C(=O)NC[C@H]2OC[C@@H]3CN(c4cc(N5CCC[C@@H]5C(N)=O)nc[nH+]4)CC[C@@H]32)cn1 ZINC001166266329 1069481189 /nfs/dbraw/zinc/48/11/89/1069481189.db2.gz KGLYTAXHSGHNSR-WNRNVDISSA-N 1 2 454.535 -0.065 20 0 JBADLO Cn1cc(C(=O)NC[C@H]2OC[C@@H]3CN(c4cc(N5CCC[C@H]5C(N)=O)[nH+]cn4)CC[C@@H]32)cn1 ZINC001166266330 1069481160 /nfs/dbraw/zinc/48/11/60/1069481160.db2.gz KGLYTAXHSGHNSR-XLAORIBOSA-N 1 2 454.535 -0.065 20 0 JBADLO Cn1cc(C(=O)NC[C@H]2OC[C@@H]3CN(c4cc(N5CCC[C@H]5C(N)=O)nc[nH+]4)CC[C@@H]32)cn1 ZINC001166266330 1069481150 /nfs/dbraw/zinc/48/11/50/1069481150.db2.gz KGLYTAXHSGHNSR-XLAORIBOSA-N 1 2 454.535 -0.065 20 0 JBADLO COC(=O)[C@@H]1C[C@@H](Oc2nc3cc(OC)ccc3nc2N2CC[C@]3(C2)CNC(=O)CN3C(C)=O)C[NH2+]1 ZINC001166320059 1069481767 /nfs/dbraw/zinc/48/17/67/1069481767.db2.gz LBOBFAHUTNTHRK-LNZPYGSCSA-N 1 2 498.540 -0.152 20 0 JBADLO COC(=O)[C@@H]1C[C@@H](Oc2nc3cc(OC)ccc3nc2N2CC[C@@]3(C2)CNC(=O)CN3C(C)=O)C[NH2+]1 ZINC001166320060 1069482042 /nfs/dbraw/zinc/48/20/42/1069482042.db2.gz LBOBFAHUTNTHRK-MTJJIEKYSA-N 1 2 498.540 -0.152 20 0 JBADLO CN(C)C(=O)CN1C[C@H]2CCN(c3cc(N4CCC[C@@H]4C(N)=O)[nH+]cn3)CC[C@H]2S1(=O)=O ZINC001166332386 1069482520 /nfs/dbraw/zinc/48/25/20/1069482520.db2.gz BJZKRRRNFHAGFC-BZUAXINKSA-N 1 2 465.580 -0.751 20 0 JBADLO CN(C)C(=O)CN1C[C@H]2CCN(c3cc(N4CCC[C@@H]4C(N)=O)nc[nH+]3)CC[C@H]2S1(=O)=O ZINC001166332386 1069482511 /nfs/dbraw/zinc/48/25/11/1069482511.db2.gz BJZKRRRNFHAGFC-BZUAXINKSA-N 1 2 465.580 -0.751 20 0 JBADLO CN(C)C(=O)CN1C[C@H]2CCN(c3cc(N4CCC[C@H]4C(N)=O)[nH+]cn3)CC[C@H]2S1(=O)=O ZINC001166332387 1069482673 /nfs/dbraw/zinc/48/26/73/1069482673.db2.gz BJZKRRRNFHAGFC-OWCLPIDISA-N 1 2 465.580 -0.751 20 0 JBADLO CN(C)C(=O)CN1C[C@H]2CCN(c3cc(N4CCC[C@H]4C(N)=O)nc[nH+]3)CC[C@H]2S1(=O)=O ZINC001166332387 1069482667 /nfs/dbraw/zinc/48/26/67/1069482667.db2.gz BJZKRRRNFHAGFC-OWCLPIDISA-N 1 2 465.580 -0.751 20 0 JBADLO CN(C)C(=O)Cn1c(=O)ccc2c1CCN(c1nc(N3CCOCC3)[nH+]c(N3CCOCC3)n1)CC2 ZINC001166399267 1069484132 /nfs/dbraw/zinc/48/41/32/1069484132.db2.gz YUQPHPVOEPMFDZ-UHFFFAOYSA-N 1 2 498.588 -0.600 20 0 JBADLO CN(C)C(=O)Cn1c(=O)ccc2c1CCN(c1nc(N3CCOCC3)nc(N3CCOCC3)[nH+]1)CC2 ZINC001166399267 1069484127 /nfs/dbraw/zinc/48/41/27/1069484127.db2.gz YUQPHPVOEPMFDZ-UHFFFAOYSA-N 1 2 498.588 -0.600 20 0 JBADLO Cn1ccnc1C(=O)NCc1cc(=O)n2c(n1)CN(c1cc(N3CCOCC3)[nH+]cn1)CCC2 ZINC001166479104 1069484736 /nfs/dbraw/zinc/48/47/36/1069484736.db2.gz XDPVCLOKSCZLBI-UHFFFAOYSA-N 1 2 465.518 -0.056 20 0 JBADLO Cn1ccnc1C(=O)NCc1cc(=O)n2c(n1)CN(c1cc(N3CCC[C@H]3C(N)=O)[nH+]cn1)CCC2 ZINC001166481513 1069485348 /nfs/dbraw/zinc/48/53/48/1069485348.db2.gz KPYHMPOYDIYQJK-INIZCTEOSA-N 1 2 492.544 -0.439 20 0 JBADLO Cn1ccnc1C(=O)NCc1cc(=O)n2c(n1)CN(c1cc(N3CCC[C@@H]3C(N)=O)[nH+]cn1)CCC2 ZINC001166481514 1069485390 /nfs/dbraw/zinc/48/53/90/1069485390.db2.gz KPYHMPOYDIYQJK-MRXNPFEDSA-N 1 2 492.544 -0.439 20 0 JBADLO COC(=O)c1cc(S(N)(=O)=O)cnc1N1CCc2[nH+]cc(CNC(=O)c3nccn3C)n2CC1 ZINC001166490728 1069486122 /nfs/dbraw/zinc/48/61/22/1069486122.db2.gz GOZYTAYMPHOICN-UHFFFAOYSA-N 1 2 488.530 -0.562 20 0 JBADLO Cc1ccc(S(=O)(=O)N[C@H](C(=O)NC[C@@]2(CO)COCC3(CCC3)[N@H+]2C)[C@H](C)O)cc1 ZINC001167212775 1067647677 /nfs/dbraw/zinc/64/76/77/1067647677.db2.gz CLMYWCCRRGKSCH-DJPFJPOOSA-N 1 2 455.577 -0.245 20 0 JBADLO Cc1ccc(S(=O)(=O)N[C@H](C(=O)NC[C@@]2(CO)COCC3(CCC3)[N@@H+]2C)[C@H](C)O)cc1 ZINC001167212775 1067647671 /nfs/dbraw/zinc/64/76/71/1067647671.db2.gz CLMYWCCRRGKSCH-DJPFJPOOSA-N 1 2 455.577 -0.245 20 0 JBADLO Cc1ccc(S(=O)(=O)N[C@H](C(=O)NC[C@]2(CO)COCC3(CCC3)[N@H+]2C)[C@H](C)O)cc1 ZINC001167212777 1067647529 /nfs/dbraw/zinc/64/75/29/1067647529.db2.gz CLMYWCCRRGKSCH-MDKPJZGXSA-N 1 2 455.577 -0.245 20 0 JBADLO Cc1ccc(S(=O)(=O)N[C@H](C(=O)NC[C@]2(CO)COCC3(CCC3)[N@@H+]2C)[C@H](C)O)cc1 ZINC001167212777 1067647523 /nfs/dbraw/zinc/64/75/23/1067647523.db2.gz CLMYWCCRRGKSCH-MDKPJZGXSA-N 1 2 455.577 -0.245 20 0 JBADLO Cc1ccc(S(=O)(=O)N[C@H](C(=O)NC[C@]2(CO)COCC3(CCC3)[N@H+]2C)[C@@H](C)O)cc1 ZINC001167212779 1067647467 /nfs/dbraw/zinc/64/74/67/1067647467.db2.gz CLMYWCCRRGKSCH-MMOPVJDHSA-N 1 2 455.577 -0.245 20 0 JBADLO Cc1ccc(S(=O)(=O)N[C@H](C(=O)NC[C@]2(CO)COCC3(CCC3)[N@@H+]2C)[C@@H](C)O)cc1 ZINC001167212779 1067647462 /nfs/dbraw/zinc/64/74/62/1067647462.db2.gz CLMYWCCRRGKSCH-MMOPVJDHSA-N 1 2 455.577 -0.245 20 0 JBADLO Cc1ccc(S(=O)(=O)N[C@H](C(=O)NC[C@@]2(CO)COCC3(CCC3)[N@H+]2C)[C@@H](C)O)cc1 ZINC001167212781 1067647893 /nfs/dbraw/zinc/64/78/93/1067647893.db2.gz CLMYWCCRRGKSCH-PLMTUMEDSA-N 1 2 455.577 -0.245 20 0 JBADLO Cc1ccc(S(=O)(=O)N[C@H](C(=O)NC[C@@]2(CO)COCC3(CCC3)[N@@H+]2C)[C@@H](C)O)cc1 ZINC001167212781 1067647886 /nfs/dbraw/zinc/64/78/86/1067647886.db2.gz CLMYWCCRRGKSCH-PLMTUMEDSA-N 1 2 455.577 -0.245 20 0 JBADLO Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)NC[C@]1(CO)COCC2(CCC2)[N@H+]1C ZINC001167214963 1067647780 /nfs/dbraw/zinc/64/77/80/1067647780.db2.gz OVAMLEACIHFHSV-FQEVSTJZSA-N 1 2 456.565 -0.608 20 0 JBADLO Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)NC[C@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC001167214963 1067647772 /nfs/dbraw/zinc/64/77/72/1067647772.db2.gz OVAMLEACIHFHSV-FQEVSTJZSA-N 1 2 456.565 -0.608 20 0 JBADLO Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)NC[C@@]1(CO)COCC2(CCC2)[N@H+]1C ZINC001167214964 1067647855 /nfs/dbraw/zinc/64/78/55/1067647855.db2.gz OVAMLEACIHFHSV-HXUWFJFHSA-N 1 2 456.565 -0.608 20 0 JBADLO Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)NC[C@@]1(CO)COCC2(CCC2)[N@@H+]1C ZINC001167214964 1067647850 /nfs/dbraw/zinc/64/78/50/1067647850.db2.gz OVAMLEACIHFHSV-HXUWFJFHSA-N 1 2 456.565 -0.608 20 0 JBADLO N=c1cc(C[NH3+])ncn1-c1ccc(I)c(-c2nn[nH]n2)c1S(N)(=O)=O ZINC001167358450 1067657884 /nfs/dbraw/zinc/65/78/84/1067657884.db2.gz SYZGJPUKWRUTJX-UHFFFAOYSA-N 1 2 473.260 -0.757 20 0 JBADLO CN(C)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)C[N@@H+](CCO)CCN1CCOCC1 ZINC001167585896 1067675934 /nfs/dbraw/zinc/67/59/34/1067675934.db2.gz DKEJVSVLCOGMGN-UHFFFAOYSA-N 1 2 454.593 -0.157 20 0 JBADLO CN(C)S(=O)(=O)c1ccc2c(c1)CCCN2C(=O)C[N@H+](CCO)CCN1CCOCC1 ZINC001167585896 1067675928 /nfs/dbraw/zinc/67/59/28/1067675928.db2.gz DKEJVSVLCOGMGN-UHFFFAOYSA-N 1 2 454.593 -0.157 20 0 JBADLO COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H](C)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC001167631380 1067677675 /nfs/dbraw/zinc/67/76/75/1067677675.db2.gz UWSQOZXRGWYYOD-CVEARBPZSA-N 1 2 458.581 -0.103 20 0 JBADLO COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](C)N(C)C[C@H](O)C[NH+]1CCOCC1 ZINC001167631382 1067677926 /nfs/dbraw/zinc/67/79/26/1067677926.db2.gz UWSQOZXRGWYYOD-HOTGVXAUSA-N 1 2 458.581 -0.103 20 0 JBADLO COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@@H](C)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC001167631383 1067677730 /nfs/dbraw/zinc/67/77/30/1067677730.db2.gz UWSQOZXRGWYYOD-HZPDHXFCSA-N 1 2 458.581 -0.103 20 0 JBADLO COc1ccc(S(=O)(=O)N(C)C)cc1NC(=O)[C@H](C)N(C)C[C@@H](O)C[NH+]1CCOCC1 ZINC001167631386 1067677816 /nfs/dbraw/zinc/67/78/16/1067677816.db2.gz UWSQOZXRGWYYOD-JKSUJKDBSA-N 1 2 458.581 -0.103 20 0 JBADLO Cc1c(Cl)cccc1NC(=O)CNC(=O)C[NH2+][C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 ZINC001168010756 1067910127 /nfs/dbraw/zinc/91/01/27/1067910127.db2.gz SNGKBVCRLNHPQN-DLBZAZTESA-N 1 2 458.968 -0.209 20 0 JBADLO Cc1c(Cl)cccc1NC(=O)CNC(=O)C[NH2+][C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 ZINC001168010759 1067910210 /nfs/dbraw/zinc/91/02/10/1067910210.db2.gz SNGKBVCRLNHPQN-IAGOWNOFSA-N 1 2 458.968 -0.209 20 0 JBADLO Cc1c(Cl)cccc1NC(=O)CNC(=O)C[NH2+][C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 ZINC001168010770 1067910090 /nfs/dbraw/zinc/91/00/90/1067910090.db2.gz SNGKBVCRLNHPQN-IRXDYDNUSA-N 1 2 458.968 -0.209 20 0 JBADLO Cc1c(Cl)cccc1NC(=O)CNC(=O)C[NH2+][C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 ZINC001168010773 1067910151 /nfs/dbraw/zinc/91/01/51/1067910151.db2.gz SNGKBVCRLNHPQN-SJORKVTESA-N 1 2 458.968 -0.209 20 0 JBADLO C[C@@H]1C[C@@H]([NH2+][C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168034124 1067926594 /nfs/dbraw/zinc/92/65/94/1067926594.db2.gz PBKUDTSENIFUQM-AXBUCTRYSA-N 1 2 460.549 -0.355 20 0 JBADLO C[C@@H]1C[C@@H]([NH2+][C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168034124 1067926593 /nfs/dbraw/zinc/92/65/93/1067926593.db2.gz PBKUDTSENIFUQM-AXBUCTRYSA-N 1 2 460.549 -0.355 20 0 JBADLO C[C@@H]1CC([NH2+][C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168034125 1067926512 /nfs/dbraw/zinc/92/65/12/1067926512.db2.gz PBKUDTSENIFUQM-DAIRBJJFSA-N 1 2 460.549 -0.355 20 0 JBADLO C[C@@H]1C[C@@H]([NH2+][C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)C[C@H](C)[N@@H+]1Cc1ccccc1 ZINC001168034126 1067926549 /nfs/dbraw/zinc/92/65/49/1067926549.db2.gz PBKUDTSENIFUQM-WWSZDVLRSA-N 1 2 460.549 -0.355 20 0 JBADLO C[C@@H]1C[C@@H]([NH2+][C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)C[C@H](C)[N@H+]1Cc1ccccc1 ZINC001168034126 1067926546 /nfs/dbraw/zinc/92/65/46/1067926546.db2.gz PBKUDTSENIFUQM-WWSZDVLRSA-N 1 2 460.549 -0.355 20 0 JBADLO C[C@@H]1CC([NH2+][C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)C[C@@H](C)[NH+]1Cc1ccccc1 ZINC001168034127 1067926961 /nfs/dbraw/zinc/92/69/61/1067926961.db2.gz PBKUDTSENIFUQM-ZMBOVJINSA-N 1 2 460.549 -0.355 20 0 JBADLO O=C(C[N@@H+]1CCSC[C@@H]1CO)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC001168200730 1067950483 /nfs/dbraw/zinc/95/04/83/1067950483.db2.gz IGBUJGBWYMTVHX-HNNXBMFYSA-N 1 2 457.574 -0.300 20 0 JBADLO O=C(C[N@H+]1CCSC[C@@H]1CO)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC001168200730 1067950479 /nfs/dbraw/zinc/95/04/79/1067950479.db2.gz IGBUJGBWYMTVHX-HNNXBMFYSA-N 1 2 457.574 -0.300 20 0 JBADLO O=C(C[N@@H+]1CCSC[C@H]1CO)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC001168200737 1067950464 /nfs/dbraw/zinc/95/04/64/1067950464.db2.gz IGBUJGBWYMTVHX-OAHLLOKOSA-N 1 2 457.574 -0.300 20 0 JBADLO O=C(C[N@H+]1CCSC[C@H]1CO)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC001168200737 1067950463 /nfs/dbraw/zinc/95/04/63/1067950463.db2.gz IGBUJGBWYMTVHX-OAHLLOKOSA-N 1 2 457.574 -0.300 20 0 JBADLO NS(=O)(=O)[C@@H]1CC[N@@H+](CC(=O)N2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)C1 ZINC001168214453 1067950850 /nfs/dbraw/zinc/95/08/50/1067950850.db2.gz ARLSJKALTYCCKZ-GFCCVEGCSA-N 1 2 452.505 -0.840 20 0 JBADLO NS(=O)(=O)[C@@H]1CC[N@H+](CC(=O)N2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)C1 ZINC001168214453 1067950848 /nfs/dbraw/zinc/95/08/48/1067950848.db2.gz ARLSJKALTYCCKZ-GFCCVEGCSA-N 1 2 452.505 -0.840 20 0 JBADLO NS(=O)(=O)[C@H]1CC[N@@H+](CC(=O)N2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)C1 ZINC001168214454 1067950793 /nfs/dbraw/zinc/95/07/93/1067950793.db2.gz ARLSJKALTYCCKZ-LBPRGKRZSA-N 1 2 452.505 -0.840 20 0 JBADLO NS(=O)(=O)[C@H]1CC[N@H+](CC(=O)N2CCN(S(=O)(=O)c3c(F)cccc3F)CC2)C1 ZINC001168214454 1067950784 /nfs/dbraw/zinc/95/07/84/1067950784.db2.gz ARLSJKALTYCCKZ-LBPRGKRZSA-N 1 2 452.505 -0.840 20 0 JBADLO Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)N2CCO[C@@H](C[NH+]3CCOCC3)C2)C1 ZINC001168993048 1068493780 /nfs/dbraw/zinc/49/37/80/1068493780.db2.gz RTLMQHOMROEMFW-MSOLQXFVSA-N 1 2 455.581 -0.013 20 0 JBADLO Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)N2CCO[C@H](C[NH+]3CCOCC3)C2)C1 ZINC001168993051 1068493588 /nfs/dbraw/zinc/49/35/88/1068493588.db2.gz RTLMQHOMROEMFW-QZTJIDSGSA-N 1 2 455.581 -0.013 20 0 JBADLO Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)N2CCO[C@@H](C[NH+]3CCOCC3)C2)C1 ZINC001168993054 1068493826 /nfs/dbraw/zinc/49/38/26/1068493826.db2.gz RTLMQHOMROEMFW-ROUUACIJSA-N 1 2 455.581 -0.013 20 0 JBADLO Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)N2CCO[C@H](C[NH+]3CCOCC3)C2)C1 ZINC001168993056 1068494718 /nfs/dbraw/zinc/49/47/18/1068494718.db2.gz RTLMQHOMROEMFW-ZWKOTPCHSA-N 1 2 455.581 -0.013 20 0 JBADLO COC(=O)[C@@H]1C[C@@H](Nc2ccc(I)c(-c3nn[nH]n3)c2S(N)(=O)=O)C[NH2+]1 ZINC001169130129 1068495399 /nfs/dbraw/zinc/49/53/99/1068495399.db2.gz JYMLNYZUPHIJII-MUWHJKNJSA-N 1 2 493.287 -0.566 20 0 JBADLO C[C@@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)n1c[nH+]cc1C[C@H](NC(=O)CC[NH3+])C(=O)[O-] ZINC001169182749 1068497631 /nfs/dbraw/zinc/49/76/31/1068497631.db2.gz ZOOSOMIORYRFSG-HOCLYGCPSA-N 1 2 488.549 -0.478 20 0 JBADLO C[C@H](CCCCn1c(=O)c2c(ncn2C)n(C)c1=O)n1c[nH+]cc1C[C@H](NC(=O)CC[NH3+])C(=O)[O-] ZINC001169182750 1068497547 /nfs/dbraw/zinc/49/75/47/1068497547.db2.gz ZOOSOMIORYRFSG-ZBFHGGJFSA-N 1 2 488.549 -0.478 20 0 JBADLO Cc1c(CC[NH3+])c(=O)[nH]n1-c1ccc(I)c(-c2nn[nH]n2)c1S(N)(=O)=O ZINC001170339101 1068516611 /nfs/dbraw/zinc/51/66/11/1068516611.db2.gz HMTXGBAGZXSCCF-UHFFFAOYSA-N 1 2 490.287 -0.180 20 0 JBADLO CC[C@]([NH3+])(CO)Nc1ccc(I)c(-c2nn[nH]n2)c1S(N)(=O)=O ZINC001170866541 1068548355 /nfs/dbraw/zinc/54/83/55/1068548355.db2.gz YECPBTUCHYDBPP-LLVKDONJSA-N 1 2 453.266 -0.412 20 0 JBADLO CC[C@@]([NH3+])(CO)Nc1ccc(I)c(-c2nn[nH]n2)c1S(N)(=O)=O ZINC001170866542 1068548440 /nfs/dbraw/zinc/54/84/40/1068548440.db2.gz YECPBTUCHYDBPP-NSHDSACASA-N 1 2 453.266 -0.412 20 0 JBADLO CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](Nc2[nH+]ccc3c2OCC(=O)N3)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC001170941177 1068553773 /nfs/dbraw/zinc/55/37/73/1068553773.db2.gz BLVJTUHJBYVBOY-PZBVGEIHSA-N 1 2 495.441 -0.093 20 0 JBADLO CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](Nc2cc3c(c[nH+]2)OCC(=O)N3)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC001170941485 1068553744 /nfs/dbraw/zinc/55/37/44/1068553744.db2.gz DAXRDCXONAZGJK-RMLALMNNSA-N 1 2 495.441 -0.093 20 0 JBADLO CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](Nc2ncnc3c2C[N@@H+](C)CC3)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC001170941835 1068553711 /nfs/dbraw/zinc/55/37/11/1068553711.db2.gz JBDCDISHWXNGOX-CDVBAKLBSA-N 1 2 494.501 -0.041 20 0 JBADLO CC(=O)OC[C@H]1O[C@@H](OC(C)=O)[C@H](Nc2ncnc3c2C[N@H+](C)CC3)[C@@H](OC(C)=O)[C@@H]1OC(C)=O ZINC001170941835 1068553697 /nfs/dbraw/zinc/55/36/97/1068553697.db2.gz JBDCDISHWXNGOX-CDVBAKLBSA-N 1 2 494.501 -0.041 20 0 JBADLO [NH3+][C@H]1[C@H](n2ccc(Nc3ccc(S(=O)(=O)Nc4nccs4)cn3)nc2=O)O[C@H](CO)[C@H]1O ZINC001171262061 1068594375 /nfs/dbraw/zinc/59/43/75/1068594375.db2.gz HERIXPHOCAGWDQ-JUDXGUMMSA-N 1 2 481.516 -0.949 20 0 JBADLO COC(=O)[C@H]1C[C@@H](O)C[N@@H+](CC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 ZINC001171740209 1068632354 /nfs/dbraw/zinc/63/23/54/1068632354.db2.gz BVBDTVQVICJRMP-DLBZAZTESA-N 1 2 455.533 -0.821 20 0 JBADLO COC(=O)[C@H]1C[C@@H](O)C[N@H+](CC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 ZINC001171740209 1068632345 /nfs/dbraw/zinc/63/23/45/1068632345.db2.gz BVBDTVQVICJRMP-DLBZAZTESA-N 1 2 455.533 -0.821 20 0 JBADLO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+](CC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 ZINC001171740214 1068632712 /nfs/dbraw/zinc/63/27/12/1068632712.db2.gz BVBDTVQVICJRMP-IAGOWNOFSA-N 1 2 455.533 -0.821 20 0 JBADLO COC(=O)[C@@H]1C[C@@H](O)C[N@H+](CC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 ZINC001171740214 1068632705 /nfs/dbraw/zinc/63/27/05/1068632705.db2.gz BVBDTVQVICJRMP-IAGOWNOFSA-N 1 2 455.533 -0.821 20 0 JBADLO COC(=O)[C@H]1C[C@H](O)C[N@@H+](CC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 ZINC001171740216 1068632742 /nfs/dbraw/zinc/63/27/42/1068632742.db2.gz BVBDTVQVICJRMP-IRXDYDNUSA-N 1 2 455.533 -0.821 20 0 JBADLO COC(=O)[C@H]1C[C@H](O)C[N@H+](CC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 ZINC001171740216 1068632736 /nfs/dbraw/zinc/63/27/36/1068632736.db2.gz BVBDTVQVICJRMP-IRXDYDNUSA-N 1 2 455.533 -0.821 20 0 JBADLO COC(=O)[C@@H]1C[C@H](O)C[N@@H+](CC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 ZINC001171740218 1068632851 /nfs/dbraw/zinc/63/28/51/1068632851.db2.gz BVBDTVQVICJRMP-SJORKVTESA-N 1 2 455.533 -0.821 20 0 JBADLO COC(=O)[C@@H]1C[C@H](O)C[N@H+](CC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 ZINC001171740218 1068632843 /nfs/dbraw/zinc/63/28/43/1068632843.db2.gz BVBDTVQVICJRMP-SJORKVTESA-N 1 2 455.533 -0.821 20 0 JBADLO O=C(C[N@H+]1CC[C@H]2COC(=O)N[C@@H]2C1)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC001171741938 1068632656 /nfs/dbraw/zinc/63/26/56/1068632656.db2.gz SXVHGLVHLWAVRF-FUHWJXTLSA-N 1 2 452.533 -0.246 20 0 JBADLO O=C(C[N@@H+]1CC[C@H]2COC(=O)N[C@@H]2C1)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC001171741938 1068632649 /nfs/dbraw/zinc/63/26/49/1068632649.db2.gz SXVHGLVHLWAVRF-FUHWJXTLSA-N 1 2 452.533 -0.246 20 0 JBADLO CC1(C)C[C@@H]([NH2+][C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)CC[N@H+]1Cc1ccccc1 ZINC001171974734 1068633430 /nfs/dbraw/zinc/63/34/30/1068633430.db2.gz ABUSLQJZTVMJSA-BVPSZOQCSA-N 1 2 460.549 -0.354 20 0 JBADLO CC1(C)C[C@@H]([NH2+][C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)CC[N@@H+]1Cc1ccccc1 ZINC001171974734 1068633428 /nfs/dbraw/zinc/63/34/28/1068633428.db2.gz ABUSLQJZTVMJSA-BVPSZOQCSA-N 1 2 460.549 -0.354 20 0 JBADLO CC1(C)C[C@@H]([NH2+][C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)CC[N@H+]1Cc1ccccc1 ZINC001171974741 1068633329 /nfs/dbraw/zinc/63/33/29/1068633329.db2.gz ABUSLQJZTVMJSA-DOQFWFFUSA-N 1 2 460.549 -0.354 20 0 JBADLO CC1(C)C[C@@H]([NH2+][C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)CC[N@@H+]1Cc1ccccc1 ZINC001171974741 1068633325 /nfs/dbraw/zinc/63/33/25/1068633325.db2.gz ABUSLQJZTVMJSA-DOQFWFFUSA-N 1 2 460.549 -0.354 20 0 JBADLO CC1(C)C[C@H]([NH2+][C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)CC[N@H+]1Cc1ccccc1 ZINC001171974747 1068633501 /nfs/dbraw/zinc/63/35/01/1068633501.db2.gz ABUSLQJZTVMJSA-MGYGNFHQSA-N 1 2 460.549 -0.354 20 0 JBADLO CC1(C)C[C@H]([NH2+][C@H]2[C@H](O)O[C@H](COS(=O)(=O)[O-])[C@@H](O)[C@@H]2O)CC[N@@H+]1Cc1ccccc1 ZINC001171974747 1068633493 /nfs/dbraw/zinc/63/34/93/1068633493.db2.gz ABUSLQJZTVMJSA-MGYGNFHQSA-N 1 2 460.549 -0.354 20 0 JBADLO CC1(C)C[C@H]([NH2+][C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)CC[N@H+]1Cc1ccccc1 ZINC001171974750 1068634092 /nfs/dbraw/zinc/63/40/92/1068634092.db2.gz ABUSLQJZTVMJSA-UPGMHYFXSA-N 1 2 460.549 -0.354 20 0 JBADLO CC1(C)C[C@H]([NH2+][C@@H]2[C@@H](O)[C@H](O)[C@@H](COS(=O)(=O)[O-])O[C@@H]2O)CC[N@@H+]1Cc1ccccc1 ZINC001171974750 1068634086 /nfs/dbraw/zinc/63/40/86/1068634086.db2.gz ABUSLQJZTVMJSA-UPGMHYFXSA-N 1 2 460.549 -0.354 20 0 JBADLO O=S(=O)([O-])OC[C@H]1O[C@H](O)[C@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)[C@@H](O)[C@@H]1O ZINC001172067569 1068634858 /nfs/dbraw/zinc/63/48/58/1068634858.db2.gz HAOAWNAYCGAFPM-FQOJGSFKSA-N 1 2 472.560 -0.211 20 0 JBADLO O=S(=O)([O-])OC[C@H]1O[C@H](O)[C@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)[C@@H](O)[C@@H]1O ZINC001172067569 1068634848 /nfs/dbraw/zinc/63/48/48/1068634848.db2.gz HAOAWNAYCGAFPM-FQOJGSFKSA-N 1 2 472.560 -0.211 20 0 JBADLO O=S(=O)([O-])OC[C@H]1O[C@@H](O)[C@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)[C@@H](O)[C@@H]1O ZINC001172067572 1068635027 /nfs/dbraw/zinc/63/50/27/1068635027.db2.gz HAOAWNAYCGAFPM-HKLVUYAYSA-N 1 2 472.560 -0.211 20 0 JBADLO O=S(=O)([O-])OC[C@H]1O[C@@H](O)[C@H]([NH2+][C@@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)[C@@H](O)[C@@H]1O ZINC001172067572 1068635008 /nfs/dbraw/zinc/63/50/08/1068635008.db2.gz HAOAWNAYCGAFPM-HKLVUYAYSA-N 1 2 472.560 -0.211 20 0 JBADLO O=S(=O)([O-])OC[C@H]1O[C@H](O)[C@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)[C@@H](O)[C@@H]1O ZINC001172067573 1068634708 /nfs/dbraw/zinc/63/47/08/1068634708.db2.gz HAOAWNAYCGAFPM-JHANCTNPSA-N 1 2 472.560 -0.211 20 0 JBADLO O=S(=O)([O-])OC[C@H]1O[C@H](O)[C@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)[C@@H](O)[C@@H]1O ZINC001172067573 1068634701 /nfs/dbraw/zinc/63/47/01/1068634701.db2.gz HAOAWNAYCGAFPM-JHANCTNPSA-N 1 2 472.560 -0.211 20 0 JBADLO O=S(=O)([O-])OC[C@H]1O[C@@H](O)[C@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@@H+]3Cc2ccccc2)[C@@H](O)[C@@H]1O ZINC001172067574 1068634783 /nfs/dbraw/zinc/63/47/83/1068634783.db2.gz HAOAWNAYCGAFPM-YMEGZWINSA-N 1 2 472.560 -0.211 20 0 JBADLO O=S(=O)([O-])OC[C@H]1O[C@@H](O)[C@H]([NH2+][C@H]2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)[C@@H](O)[C@@H]1O ZINC001172067574 1068634778 /nfs/dbraw/zinc/63/47/78/1068634778.db2.gz HAOAWNAYCGAFPM-YMEGZWINSA-N 1 2 472.560 -0.211 20 0 JBADLO CC[C@@]1(C(=O)OC)C[C@@H]([NH2+][C@H]2[C@H](n3ccc(=O)[nH]c3=O)O[C@H](CO)[C@H]2O)CN1C(=O)OC(C)(C)C ZINC001173525066 1068645815 /nfs/dbraw/zinc/64/58/15/1068645815.db2.gz LCTAQAQWMSSGLD-JAPQNGERSA-N 1 2 498.533 -0.511 20 0 JBADLO CC[C@]1(C(=O)OC)C[C@H]([NH2+][C@H]2[C@H](n3ccc(=O)[nH]c3=O)O[C@H](CO)[C@H]2O)CN1C(=O)OC(C)(C)C ZINC001173525067 1068645376 /nfs/dbraw/zinc/64/53/76/1068645376.db2.gz LCTAQAQWMSSGLD-OQBJAINESA-N 1 2 498.533 -0.511 20 0 JBADLO CC[C@]1(C(=O)OC)C[C@@H]([NH2+][C@H]2[C@H](n3ccc(=O)[nH]c3=O)O[C@H](CO)[C@H]2O)CN1C(=O)OC(C)(C)C ZINC001173525068 1068645846 /nfs/dbraw/zinc/64/58/46/1068645846.db2.gz LCTAQAQWMSSGLD-SJBSVVFCSA-N 1 2 498.533 -0.511 20 0 JBADLO CC[C@@]1(C(=O)OC)C[C@H]([NH2+][C@H]2[C@H](n3ccc(=O)[nH]c3=O)O[C@H](CO)[C@H]2O)CN1C(=O)OC(C)(C)C ZINC001173525069 1068645634 /nfs/dbraw/zinc/64/56/34/1068645634.db2.gz LCTAQAQWMSSGLD-YREFXGTGSA-N 1 2 498.533 -0.511 20 0 JBADLO COC(=O)[C@@H]1C[C@@H]([N@H+]2C[C@@H]3c4nc(N(C)C)ncc4CS(=O)(=O)[C@@H]3C2)C[C@@H]1C(=O)OC ZINC001173574409 1068645489 /nfs/dbraw/zinc/64/54/89/1068645489.db2.gz LOCMPJHJTOWYHS-ARKGTOAJSA-N 1 2 452.533 -0.020 20 0 JBADLO COC(=O)[C@@H]1C[C@@H]([N@@H+]2C[C@@H]3c4nc(N(C)C)ncc4CS(=O)(=O)[C@@H]3C2)C[C@@H]1C(=O)OC ZINC001173574409 1068645481 /nfs/dbraw/zinc/64/54/81/1068645481.db2.gz LOCMPJHJTOWYHS-ARKGTOAJSA-N 1 2 452.533 -0.020 20 0 JBADLO COC(=O)[C@@H]1C[C@H]([N@H+]2C[C@@H]3c4nc(N(C)C)ncc4CS(=O)(=O)[C@@H]3C2)C[C@@H]1C(=O)OC ZINC001173574412 1068645727 /nfs/dbraw/zinc/64/57/27/1068645727.db2.gz LOCMPJHJTOWYHS-XFIYOXNOSA-N 1 2 452.533 -0.020 20 0 JBADLO COC(=O)[C@@H]1C[C@H]([N@@H+]2C[C@@H]3c4nc(N(C)C)ncc4CS(=O)(=O)[C@@H]3C2)C[C@@H]1C(=O)OC ZINC001173574412 1068645717 /nfs/dbraw/zinc/64/57/17/1068645717.db2.gz LOCMPJHJTOWYHS-XFIYOXNOSA-N 1 2 452.533 -0.020 20 0 JBADLO COC(=O)[C@@H]1C[C@H]([N@H+]2C[C@@H]3c4nc(N5CCOCC5)ncc4CS(=O)(=O)[C@@H]3C2)C[C@@H]1C(=O)OC ZINC001173577885 1068646482 /nfs/dbraw/zinc/64/64/82/1068646482.db2.gz XDZOHDGXDHGOLH-FLXSYLCISA-N 1 2 494.570 -0.250 20 0 JBADLO COC(=O)[C@@H]1C[C@H]([N@@H+]2C[C@@H]3c4nc(N5CCOCC5)ncc4CS(=O)(=O)[C@@H]3C2)C[C@@H]1C(=O)OC ZINC001173577885 1068646476 /nfs/dbraw/zinc/64/64/76/1068646476.db2.gz XDZOHDGXDHGOLH-FLXSYLCISA-N 1 2 494.570 -0.250 20 0 JBADLO COC(=O)[C@@H]1C[C@@H]([N@H+]2C[C@@H]3c4nc(N5CCOCC5)ncc4CS(=O)(=O)[C@@H]3C2)C[C@@H]1C(=O)OC ZINC001173577891 1068646529 /nfs/dbraw/zinc/64/65/29/1068646529.db2.gz XDZOHDGXDHGOLH-IECFSIQFSA-N 1 2 494.570 -0.250 20 0 JBADLO COC(=O)[C@@H]1C[C@@H]([N@@H+]2C[C@@H]3c4nc(N5CCOCC5)ncc4CS(=O)(=O)[C@@H]3C2)C[C@@H]1C(=O)OC ZINC001173577891 1068646524 /nfs/dbraw/zinc/64/65/24/1068646524.db2.gz XDZOHDGXDHGOLH-IECFSIQFSA-N 1 2 494.570 -0.250 20 0 JBADLO COC(=O)[C@@H]1C[C@@H]([N@H+]2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)C[C@@H]1C(=O)OC ZINC001173583640 1068647270 /nfs/dbraw/zinc/64/72/70/1068647270.db2.gz SUVVWFMLQSFUOX-KSWRQPAISA-N 1 2 468.551 -0.676 20 0 JBADLO COC(=O)[C@@H]1C[C@@H]([N@@H+]2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)C[C@@H]1C(=O)OC ZINC001173583640 1068647268 /nfs/dbraw/zinc/64/72/68/1068647268.db2.gz SUVVWFMLQSFUOX-KSWRQPAISA-N 1 2 468.551 -0.676 20 0 JBADLO COC(=O)[C@@H]1C[C@H]([N@H+]2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)C[C@@H]1C(=O)OC ZINC001173583649 1068647297 /nfs/dbraw/zinc/64/72/97/1068647297.db2.gz SUVVWFMLQSFUOX-QEOTZNIISA-N 1 2 468.551 -0.676 20 0 JBADLO COC(=O)[C@@H]1C[C@H]([N@@H+]2CCC[C@H]2C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O)C[C@@H]1C(=O)OC ZINC001173583649 1068647293 /nfs/dbraw/zinc/64/72/93/1068647293.db2.gz SUVVWFMLQSFUOX-QEOTZNIISA-N 1 2 468.551 -0.676 20 0 JBADLO OC[C@@H]1O[C@@H](Sc2ccc(Nc3cnn(CC[NH+]4CCOCC4)c3)cc2)[C@H](O)[C@H](O)[C@H]1O ZINC001174494926 1068649746 /nfs/dbraw/zinc/64/97/46/1068649746.db2.gz XVEPEDZHXJEBAS-AFDCHOCNSA-N 1 2 466.560 -0.149 20 0 JBADLO OC[C@@H]1O[C@@H](Sc2ccc(Nc3cnn(CC[NH+]4CCOCC4)c3)cc2)[C@H](O)[C@@H](O)[C@H]1O ZINC001174494934 1068649888 /nfs/dbraw/zinc/64/98/88/1068649888.db2.gz XVEPEDZHXJEBAS-FCMAGTKHSA-N 1 2 466.560 -0.149 20 0 JBADLO OC[C@@H]1O[C@@H](Sc2ccc(Nc3cnn(CC[NH+]4CCOCC4)c3)cc2)[C@@H](O)[C@@H](O)[C@H]1O ZINC001174494936 1068649824 /nfs/dbraw/zinc/64/98/24/1068649824.db2.gz XVEPEDZHXJEBAS-SXYSDOLCSA-N 1 2 466.560 -0.149 20 0 JBADLO OC[C@@H]1O[C@@H](Sc2ccc(Nc3cnn(CC[NH+]4CCOCC4)c3)cc2)[C@@H](O)[C@H](O)[C@H]1O ZINC001174494939 1068649843 /nfs/dbraw/zinc/64/98/43/1068649843.db2.gz XVEPEDZHXJEBAS-WHZJULEDSA-N 1 2 466.560 -0.149 20 0 JBADLO COC(=O)[C@]1(OC)CC[N@@H+](CC(=O)NCc2ccccc2S(=O)(=O)N2CCOCC2)C1 ZINC001174680431 1068649802 /nfs/dbraw/zinc/64/98/02/1068649802.db2.gz ICOOOEHAZOIRRE-FQEVSTJZSA-N 1 2 455.533 -0.412 20 0 JBADLO COC(=O)[C@]1(OC)CC[N@H+](CC(=O)NCc2ccccc2S(=O)(=O)N2CCOCC2)C1 ZINC001174680431 1068649794 /nfs/dbraw/zinc/64/97/94/1068649794.db2.gz ICOOOEHAZOIRRE-FQEVSTJZSA-N 1 2 455.533 -0.412 20 0 JBADLO COC(=O)[C@@]1(OC)CC[N@@H+](CC(=O)NCc2ccccc2S(=O)(=O)N2CCOCC2)C1 ZINC001174680449 1068649919 /nfs/dbraw/zinc/64/99/19/1068649919.db2.gz ICOOOEHAZOIRRE-HXUWFJFHSA-N 1 2 455.533 -0.412 20 0 JBADLO COC(=O)[C@@]1(OC)CC[N@H+](CC(=O)NCc2ccccc2S(=O)(=O)N2CCOCC2)C1 ZINC001174680449 1068649915 /nfs/dbraw/zinc/64/99/15/1068649915.db2.gz ICOOOEHAZOIRRE-HXUWFJFHSA-N 1 2 455.533 -0.412 20 0 JBADLO O=C(C[NH+]1CCN(CCNS(=O)(=O)c2ccccc2)CC1)N1CCC2(CC1)OCCO2 ZINC001174882552 1068650611 /nfs/dbraw/zinc/65/06/11/1068650611.db2.gz BJKJJNSIJFNMAW-UHFFFAOYSA-N 1 2 452.577 -0.052 20 0 JBADLO CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)c1cc2n(n1)CCC[N@@H+](C)C2)C(=O)NCC(N)=O ZINC001175077185 1068651430 /nfs/dbraw/zinc/65/14/30/1068651430.db2.gz MDFRTIKMYCDKJV-WMZOPIPTSA-N 1 2 461.567 -0.544 20 0 JBADLO CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)c1cc2n(n1)CCC[N@H+](C)C2)C(=O)NCC(N)=O ZINC001175077185 1068651424 /nfs/dbraw/zinc/65/14/24/1068651424.db2.gz MDFRTIKMYCDKJV-WMZOPIPTSA-N 1 2 461.567 -0.544 20 0 JBADLO C[N@H+]1CCCn2nc(C(=O)Nc3cc(Cl)c(S(N)(=O)=O)cc3S(N)(=O)=O)cc2C1 ZINC001175088112 1068651672 /nfs/dbraw/zinc/65/16/72/1068651672.db2.gz ILMLCWNHODUYET-UHFFFAOYSA-N 1 2 462.941 -0.081 20 0 JBADLO C[N@@H+]1CCCn2nc(C(=O)Nc3cc(Cl)c(S(N)(=O)=O)cc3S(N)(=O)=O)cc2C1 ZINC001175088112 1068651660 /nfs/dbraw/zinc/65/16/60/1068651660.db2.gz ILMLCWNHODUYET-UHFFFAOYSA-N 1 2 462.941 -0.081 20 0 JBADLO C[N@H+]1CCCn2nc(C(=O)Nc3ccc(S[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)cc3)cc2C1 ZINC001175094245 1068651579 /nfs/dbraw/zinc/65/15/79/1068651579.db2.gz GLNZIIVYIKBGQC-CWVBCOCOSA-N 1 2 464.544 -0.137 20 0 JBADLO C[N@@H+]1CCCn2nc(C(=O)Nc3ccc(S[C@@H]4O[C@H](CO)[C@H](O)[C@H](O)[C@H]4O)cc3)cc2C1 ZINC001175094245 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CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC2(CN(S(C)(=O)=O)C[C@@]23CCN(C)C3=O)CC1 ZINC001176357083 1068656705 /nfs/dbraw/zinc/65/67/05/1068656705.db2.gz POCPSJBCUXIXRP-DYESRHJHSA-N 1 2 480.591 -0.811 20 0 JBADLO CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC2(CN(S(C)(=O)=O)C[C@]23CCN(C)C3=O)CC1 ZINC001176357092 1068656814 /nfs/dbraw/zinc/65/68/14/1068656814.db2.gz POCPSJBCUXIXRP-UTKZUKDTSA-N 1 2 480.591 -0.811 20 0 JBADLO CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC2(CN(S(C)(=O)=O)C[C@]23CCN(C)C3=O)CC1 ZINC001176357092 1068656807 /nfs/dbraw/zinc/65/68/07/1068656807.db2.gz POCPSJBCUXIXRP-UTKZUKDTSA-N 1 2 480.591 -0.811 20 0 JBADLO CC(=O)N[C@H](Cc1c[nH+]c[nH]1)C(=O)N1CCCn2c(=O)cc(CNC(=O)c3ccco3)nc2C1 ZINC001176357290 1068656604 /nfs/dbraw/zinc/65/66/04/1068656604.db2.gz RINZWESCUWLLJE-QGZVFWFLSA-N 1 2 467.486 -0.031 20 0 JBADLO CC(=O)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N1CCCn2c(=O)cc(CNC(=O)c3ccco3)nc2C1 ZINC001176357290 1068656603 /nfs/dbraw/zinc/65/66/03/1068656603.db2.gz RINZWESCUWLLJE-QGZVFWFLSA-N 1 2 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/nfs/dbraw/zinc/65/74/84/1068657484.db2.gz RLNBQPIOLNREII-QGZVFWFLSA-N 1 2 468.470 -0.257 20 0 JBADLO COC(=O)[C@@H]1C[N@@H+](C)CCN1C(=O)[C@H]1Cn2nnnc2C12CCN(C(=O)OC(C)(C)C)CC2 ZINC001176416424 1068659030 /nfs/dbraw/zinc/65/90/30/1068659030.db2.gz SROJYFQXXAWXAU-CABCVRRESA-N 1 2 463.539 -0.113 20 0 JBADLO COC(=O)[C@@H]1C[N@H+](C)CCN1C(=O)[C@H]1Cn2nnnc2C12CCN(C(=O)OC(C)(C)C)CC2 ZINC001176416424 1068659024 /nfs/dbraw/zinc/65/90/24/1068659024.db2.gz SROJYFQXXAWXAU-CABCVRRESA-N 1 2 463.539 -0.113 20 0 JBADLO COC(=O)[C@@H]1C[N@@H+](C)CCN1C(=O)[C@@H]1Cn2nnnc2C12CCN(C(=O)OC(C)(C)C)CC2 ZINC001176416426 1068659001 /nfs/dbraw/zinc/65/90/01/1068659001.db2.gz SROJYFQXXAWXAU-GJZGRUSLSA-N 1 2 463.539 -0.113 20 0 JBADLO COC(=O)[C@@H]1C[N@H+](C)CCN1C(=O)[C@@H]1Cn2nnnc2C12CCN(C(=O)OC(C)(C)C)CC2 ZINC001176416426 1068658992 /nfs/dbraw/zinc/65/89/92/1068658992.db2.gz SROJYFQXXAWXAU-GJZGRUSLSA-N 1 2 463.539 -0.113 20 0 JBADLO COC(=O)[C@H]1C[N@@H+](C)CCN1C(=O)[C@H]1Cn2nnnc2C12CCN(C(=O)OC(C)(C)C)CC2 ZINC001176416429 1068659069 /nfs/dbraw/zinc/65/90/69/1068659069.db2.gz SROJYFQXXAWXAU-HUUCEWRRSA-N 1 2 463.539 -0.113 20 0 JBADLO COC(=O)[C@H]1C[N@H+](C)CCN1C(=O)[C@H]1Cn2nnnc2C12CCN(C(=O)OC(C)(C)C)CC2 ZINC001176416429 1068659064 /nfs/dbraw/zinc/65/90/64/1068659064.db2.gz SROJYFQXXAWXAU-HUUCEWRRSA-N 1 2 463.539 -0.113 20 0 JBADLO COC(=O)[C@H]1C[N@@H+](C)CCN1C(=O)[C@@H]1Cn2nnnc2C12CCN(C(=O)OC(C)(C)C)CC2 ZINC001176416431 1068658847 /nfs/dbraw/zinc/65/88/47/1068658847.db2.gz SROJYFQXXAWXAU-LSDHHAIUSA-N 1 2 463.539 -0.113 20 0 JBADLO COC(=O)[C@H]1C[N@H+](C)CCN1C(=O)[C@@H]1Cn2nnnc2C12CCN(C(=O)OC(C)(C)C)CC2 ZINC001176416431 1068658842 /nfs/dbraw/zinc/65/88/42/1068658842.db2.gz SROJYFQXXAWXAU-LSDHHAIUSA-N 1 2 463.539 -0.113 20 0 JBADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)[C@@H]1CCc3[nH]c(=O)[nH]c(=O)c3C1)CC2 ZINC001176622747 1068660294 /nfs/dbraw/zinc/66/02/94/1068660294.db2.gz RDSSFQUPAQCWIP-CYBMUJFWSA-N 1 2 455.519 -0.301 20 0 JBADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)[C@H]1CCc3[nH]c(=O)[nH]c(=O)c3C1)CC2 ZINC001176622750 1068660348 /nfs/dbraw/zinc/66/03/48/1068660348.db2.gz RDSSFQUPAQCWIP-ZDUSSCGKSA-N 1 2 455.519 -0.301 20 0 JBADLO C[NH+]1CCN(c2ncc(NS(=O)(=O)c3cc(S(N)(=O)=O)c(Cl)cc3N)cn2)CC1 ZINC001176632575 1068660245 /nfs/dbraw/zinc/66/02/45/1068660245.db2.gz MCXAWIDFDATCAM-UHFFFAOYSA-N 1 2 461.957 -0.088 20 0 JBADLO COC(=O)[C@H](Cc1c[nH+]cn1C)NC(=O)[C@H]1Cn2ccnc2C2(CCN(C(=O)N(C)C)CC2)O1 ZINC001176771021 1068663372 /nfs/dbraw/zinc/66/33/72/1068663372.db2.gz FBDMVQQKCBGIDF-DLBZAZTESA-N 1 2 473.534 -0.111 20 0 JBADLO COC(=O)[C@@H](Cc1c[nH+]cn1C)NC(=O)[C@H]1Cn2ccnc2C2(CCN(C(=O)N(C)C)CC2)O1 ZINC001176771025 1068663464 /nfs/dbraw/zinc/66/34/64/1068663464.db2.gz FBDMVQQKCBGIDF-IAGOWNOFSA-N 1 2 473.534 -0.111 20 0 JBADLO COC(=O)[C@H](Cc1c[nH+]cn1C)NC(=O)[C@@H]1Cn2ccnc2C2(CCN(C(=O)N(C)C)CC2)O1 ZINC001176771026 1068663386 /nfs/dbraw/zinc/66/33/86/1068663386.db2.gz FBDMVQQKCBGIDF-IRXDYDNUSA-N 1 2 473.534 -0.111 20 0 JBADLO COC(=O)[C@@H](Cc1c[nH+]cn1C)NC(=O)[C@@H]1Cn2ccnc2C2(CCN(C(=O)N(C)C)CC2)O1 ZINC001176771028 1068663434 /nfs/dbraw/zinc/66/34/34/1068663434.db2.gz FBDMVQQKCBGIDF-SJORKVTESA-N 1 2 473.534 -0.111 20 0 JBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CCc1nc(-c2cccnc2)no1 ZINC001176788895 1068662005 /nfs/dbraw/zinc/66/20/05/1068662005.db2.gz HKGWQNJHCDZCHN-HOTGVXAUSA-N 1 2 452.475 -0.009 20 0 JBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CCc1nc(-c2cccnc2)no1 ZINC001176788895 1068661997 /nfs/dbraw/zinc/66/19/97/1068661997.db2.gz HKGWQNJHCDZCHN-HOTGVXAUSA-N 1 2 452.475 -0.009 20 0 JBADLO Cc1ccc(C(=O)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2NC(=O)Cc2c[nH]c[nH+]2)cc1 ZINC001176836527 1068664907 /nfs/dbraw/zinc/66/49/07/1068664907.db2.gz RTVIOFZUQRRULZ-HUYLIWGRSA-N 1 2 469.454 -0.177 20 0 JBADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)CN1CCN(c3ncccn3)CC1)CC2 ZINC001176975945 1068666523 /nfs/dbraw/zinc/66/65/23/1068666523.db2.gz WUACGYHIMVQTBM-UHFFFAOYSA-N 1 2 467.578 -0.695 20 0 JBADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(C(=O)CN1CCN(c3ncccn3)CC1)C2 ZINC001176980314 1068667881 /nfs/dbraw/zinc/66/78/81/1068667881.db2.gz ZVZPEMPYSBQACX-FQEVSTJZSA-N 1 2 484.605 -0.193 20 0 JBADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(C(=O)CN1CCN(c3ncccn3)CC1)C2 ZINC001176980320 1068667738 /nfs/dbraw/zinc/66/77/38/1068667738.db2.gz ZVZPEMPYSBQACX-HXUWFJFHSA-N 1 2 484.605 -0.193 20 0 JBADLO Cc1nn(CC(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N2CCC[C@H]2C(N)=O)cc1Br ZINC001177022514 1068668682 /nfs/dbraw/zinc/66/86/82/1068668682.db2.gz OVYBIFTYEVPFJI-KBPBESRZSA-N 1 2 452.313 -0.119 20 0 JBADLO Cc1nn(CC(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N2CCC[C@H]2C(N)=O)cc1Br ZINC001177022514 1068668674 /nfs/dbraw/zinc/66/86/74/1068668674.db2.gz OVYBIFTYEVPFJI-KBPBESRZSA-N 1 2 452.313 -0.119 20 0 JBADLO Cc1cn([C@H]2C[C@H](NC(=O)[C@H](Cc3c[nH+]c[nH]3)NC(=O)OC(C)(C)C)[C@@H](CO)O2)c(=O)[nH]c1=O ZINC001177094193 1068669302 /nfs/dbraw/zinc/66/93/02/1068669302.db2.gz ZAILDGRWLKTTKU-CAOSSQGBSA-N 1 2 478.506 -0.119 20 0 JBADLO Cc1cn([C@H]2C[C@H](NC(=O)[C@H](Cc3c[nH]c[nH+]3)NC(=O)OC(C)(C)C)[C@@H](CO)O2)c(=O)[nH]c1=O ZINC001177094193 1068669297 /nfs/dbraw/zinc/66/92/97/1068669297.db2.gz ZAILDGRWLKTTKU-CAOSSQGBSA-N 1 2 478.506 -0.119 20 0 JBADLO Cc1cn([C@H]2C[C@H](NC(=O)[C@@H](Cc3c[nH+]c[nH]3)NC(=O)OC(C)(C)C)[C@@H](CO)O2)c(=O)[nH]c1=O ZINC001177094204 1068669178 /nfs/dbraw/zinc/66/91/78/1068669178.db2.gz ZAILDGRWLKTTKU-ZJIFWQFVSA-N 1 2 478.506 -0.119 20 0 JBADLO Cc1cn([C@H]2C[C@H](NC(=O)[C@@H](Cc3c[nH]c[nH+]3)NC(=O)OC(C)(C)C)[C@@H](CO)O2)c(=O)[nH]c1=O ZINC001177094204 1068669174 /nfs/dbraw/zinc/66/91/74/1068669174.db2.gz ZAILDGRWLKTTKU-ZJIFWQFVSA-N 1 2 478.506 -0.119 20 0 JBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CCc1nc(-c2ccccn2)no1 ZINC001177194846 1068670180 /nfs/dbraw/zinc/67/01/80/1068670180.db2.gz XFMNNJBSBMEKIP-HOTGVXAUSA-N 1 2 452.475 -0.009 20 0 JBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CCc1nc(-c2ccccn2)no1 ZINC001177194846 1068670173 /nfs/dbraw/zinc/67/01/73/1068670173.db2.gz XFMNNJBSBMEKIP-HOTGVXAUSA-N 1 2 452.475 -0.009 20 0 JBADLO CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)CN(C)c1cccc[nH+]1)C(N)=O ZINC001177417943 1068675120 /nfs/dbraw/zinc/67/51/20/1068675120.db2.gz XVCIAKCEEPPYMC-HOTGVXAUSA-N 1 2 466.608 -0.112 20 0 JBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)COc1ncc(Br)cn1 ZINC001177583614 1068676061 /nfs/dbraw/zinc/67/60/61/1068676061.db2.gz OAZMAMCPNRKFQB-STQMWFEESA-N 1 2 466.296 -0.455 20 0 JBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)COc1ncc(Br)cn1 ZINC001177583614 1068676054 /nfs/dbraw/zinc/67/60/54/1068676054.db2.gz OAZMAMCPNRKFQB-STQMWFEESA-N 1 2 466.296 -0.455 20 0 JBADLO CN1C(=O)C[C@H](C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N2CCC[C@H]2C(N)=O)[C@H]1c1cccnc1 ZINC001177650213 1068676751 /nfs/dbraw/zinc/67/67/51/1068676751.db2.gz FNUIDIYRFVLTIH-LSTDLKDCSA-N 1 2 453.503 -0.472 20 0 JBADLO CN1C(=O)C[C@H](C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N2CCC[C@H]2C(N)=O)[C@H]1c1cccnc1 ZINC001177650213 1068676745 /nfs/dbraw/zinc/67/67/45/1068676745.db2.gz FNUIDIYRFVLTIH-LSTDLKDCSA-N 1 2 453.503 -0.472 20 0 JBADLO CC(C)(C)OC(=O)N[C@@H](Cn1cccn1)C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001177709462 1068677821 /nfs/dbraw/zinc/67/78/21/1068677821.db2.gz XWVFBQGRSGGTON-ULQDDVLXSA-N 1 2 488.549 -0.297 20 0 JBADLO CC(C)(C)OC(=O)N[C@@H](Cn1cccn1)C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001177709462 1068677811 /nfs/dbraw/zinc/67/78/11/1068677811.db2.gz XWVFBQGRSGGTON-ULQDDVLXSA-N 1 2 488.549 -0.297 20 0 JBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CNC(=O)c1cnccc1C(F)(F)F ZINC001177755998 1068677924 /nfs/dbraw/zinc/67/79/24/1068677924.db2.gz WBAMWQIDKAOOIT-GJZGRUSLSA-N 1 2 481.435 -0.243 20 0 JBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CNC(=O)c1cnccc1C(F)(F)F ZINC001177755998 1068677915 /nfs/dbraw/zinc/67/79/15/1068677915.db2.gz WBAMWQIDKAOOIT-GJZGRUSLSA-N 1 2 481.435 -0.243 20 0 JBADLO O=C([C@H]1CCc2[nH+]ccn2C1)N1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC001178102278 1068682211 /nfs/dbraw/zinc/68/22/11/1068682211.db2.gz JQSXXHVYJVGQER-BHYGNILZSA-N 1 2 458.544 -0.005 20 0 JBADLO O=C([C@@H]1CCc2[nH+]ccn2C1)N1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC001178102279 1068682055 /nfs/dbraw/zinc/68/20/55/1068682055.db2.gz JQSXXHVYJVGQER-HYVNUMGLSA-N 1 2 458.544 -0.005 20 0 JBADLO CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H]1CCc2[nH+]ccn2C1)C(N)=O ZINC001178122495 1068682283 /nfs/dbraw/zinc/68/22/83/1068682283.db2.gz VNRRBLVRQZXDQO-JYJNAYRXSA-N 1 2 466.608 -0.184 20 0 JBADLO CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H]1CCc2[nH+]ccn2C1)C(N)=O ZINC001178122496 1068682903 /nfs/dbraw/zinc/68/29/03/1068682903.db2.gz VNRRBLVRQZXDQO-PMPSAXMXSA-N 1 2 466.608 -0.184 20 0 JBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)Cc1cn(Cc2ccccc2)nn1 ZINC001178326354 1068685304 /nfs/dbraw/zinc/68/53/04/1068685304.db2.gz BZAUDHLLQBSVLE-OALUTQOASA-N 1 2 450.503 -0.204 20 0 JBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)Cc1cn(Cc2ccccc2)nn1 ZINC001178326354 1068685298 /nfs/dbraw/zinc/68/52/98/1068685298.db2.gz BZAUDHLLQBSVLE-OALUTQOASA-N 1 2 450.503 -0.204 20 0 JBADLO C[NH+](C)CCN1CC[N@@H+](C)C2(CCN(C(=O)c3cc4n(n3)CCCN(CC(=O)[O-])C4=O)CC2)C1=O ZINC001178368020 1068687282 /nfs/dbraw/zinc/68/72/82/1068687282.db2.gz NWUOBDNBLDKCCM-UHFFFAOYSA-N 1 2 489.577 -0.876 20 0 JBADLO C[NH+](C)CCN1CC[N@H+](C)C2(CCN(C(=O)c3cc4n(n3)CCCN(CC(=O)[O-])C4=O)CC2)C1=O ZINC001178368020 1068687277 /nfs/dbraw/zinc/68/72/77/1068687277.db2.gz NWUOBDNBLDKCCM-UHFFFAOYSA-N 1 2 489.577 -0.876 20 0 JBADLO CNC(=O)C[N@H+]1CCCN(C(=O)CCCNS(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC001178425220 1068688711 /nfs/dbraw/zinc/68/87/11/1068688711.db2.gz RNOAANMRACOIDR-UHFFFAOYSA-N 1 2 454.549 -0.203 20 0 JBADLO CNC(=O)C[N@@H+]1CCCN(C(=O)CCCNS(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC001178425220 1068688704 /nfs/dbraw/zinc/68/87/04/1068688704.db2.gz RNOAANMRACOIDR-UHFFFAOYSA-N 1 2 454.549 -0.203 20 0 JBADLO CNC(=O)C[N@H+]1CCCN(C(=O)c2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)CC1 ZINC001178425559 1068688523 /nfs/dbraw/zinc/68/85/23/1068688523.db2.gz ZBKGPLMFKFLPMZ-UHFFFAOYSA-N 1 2 454.549 -0.390 20 0 JBADLO CNC(=O)C[N@@H+]1CCCN(C(=O)c2ccc(OC)c(S(=O)(=O)N3CCOCC3)c2)CC1 ZINC001178425559 1068688517 /nfs/dbraw/zinc/68/85/17/1068688517.db2.gz ZBKGPLMFKFLPMZ-UHFFFAOYSA-N 1 2 454.549 -0.390 20 0 JBADLO CN1C[C@@H](C(=O)N2C[C@@H]([NH+]3CCN(c4ncccn4)CC3)C[C@H]2C(=O)N2CCC(F)(F)C2)CC1=O ZINC001178520955 1068690324 /nfs/dbraw/zinc/69/03/24/1068690324.db2.gz JSYQSPPQPAYGTE-BZSNNMDCSA-N 1 2 491.543 -0.086 20 0 JBADLO CN1C[C@H](C(=O)N2C[C@@H]([NH+]3CCN(c4ncccn4)CC3)C[C@H]2C(=O)N2CCC(F)(F)C2)CC1=O ZINC001178520956 1068690163 /nfs/dbraw/zinc/69/01/63/1068690163.db2.gz JSYQSPPQPAYGTE-SQNIBIBYSA-N 1 2 491.543 -0.086 20 0 JBADLO CC(C)(C)OC(=O)N1CC(F)(C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N2CCC[C@H]2C(N)=O)C1 ZINC001178553798 1068691116 /nfs/dbraw/zinc/69/11/16/1068691116.db2.gz PNHBVFVGLIWPNV-KBPBESRZSA-N 1 2 452.487 -0.128 20 0 JBADLO CC(C)(C)OC(=O)N1CC(F)(C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N2CCC[C@H]2C(N)=O)C1 ZINC001178553798 1068691108 /nfs/dbraw/zinc/69/11/08/1068691108.db2.gz PNHBVFVGLIWPNV-KBPBESRZSA-N 1 2 452.487 -0.128 20 0 JBADLO CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N2CCC[C@H]2C(N)=O)C1 ZINC001178588071 1068690882 /nfs/dbraw/zinc/69/08/82/1068690882.db2.gz AANUAEXYCDFTNL-HRCADAONSA-N 1 2 464.523 -0.451 20 0 JBADLO CC(C)(C)OC(=O)N1CCO[C@@H](C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N2CCC[C@H]2C(N)=O)C1 ZINC001178588071 1068690875 /nfs/dbraw/zinc/69/08/75/1068690875.db2.gz AANUAEXYCDFTNL-HRCADAONSA-N 1 2 464.523 -0.451 20 0 JBADLO CC(C)(C)OC(=O)N1CCO[C@H](C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N2CCC[C@H]2C(N)=O)C1 ZINC001178588072 1068691011 /nfs/dbraw/zinc/69/10/11/1068691011.db2.gz AANUAEXYCDFTNL-JYJNAYRXSA-N 1 2 464.523 -0.451 20 0 JBADLO CC(C)(C)OC(=O)N1CCO[C@H](C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N2CCC[C@H]2C(N)=O)C1 ZINC001178588072 1068691002 /nfs/dbraw/zinc/69/10/02/1068691002.db2.gz AANUAEXYCDFTNL-JYJNAYRXSA-N 1 2 464.523 -0.451 20 0 JBADLO COc1cccc(N2C[C@H](C(=O)N[C@@H](Cc3c[nH+]c[nH]3)C(=O)N3CCC[C@H]3C(N)=O)CC2=O)c1 ZINC001178635662 1068691977 /nfs/dbraw/zinc/69/19/77/1068691977.db2.gz HQZOOXCIBGHRRU-CCKFTAQKSA-N 1 2 468.514 -0.025 20 0 JBADLO COc1cccc(N2C[C@H](C(=O)N[C@@H](Cc3c[nH]c[nH+]3)C(=O)N3CCC[C@H]3C(N)=O)CC2=O)c1 ZINC001178635662 1068691963 /nfs/dbraw/zinc/69/19/63/1068691963.db2.gz HQZOOXCIBGHRRU-CCKFTAQKSA-N 1 2 468.514 -0.025 20 0 JBADLO COc1cccc(N2C[C@@H](C(=O)N[C@@H](Cc3c[nH+]c[nH]3)C(=O)N3CCC[C@H]3C(N)=O)CC2=O)c1 ZINC001178635663 1068691797 /nfs/dbraw/zinc/69/17/97/1068691797.db2.gz HQZOOXCIBGHRRU-JVPBZIDWSA-N 1 2 468.514 -0.025 20 0 JBADLO COc1cccc(N2C[C@@H](C(=O)N[C@@H](Cc3c[nH]c[nH+]3)C(=O)N3CCC[C@H]3C(N)=O)CC2=O)c1 ZINC001178635663 1068691790 /nfs/dbraw/zinc/69/17/90/1068691790.db2.gz HQZOOXCIBGHRRU-JVPBZIDWSA-N 1 2 468.514 -0.025 20 0 JBADLO CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H](C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N2CCC[C@H]2C(N)=O)C1 ZINC001178668232 1068691889 /nfs/dbraw/zinc/69/18/89/1068691889.db2.gz MIOWQHKRVPIYTN-HJWJTTGWSA-N 1 2 478.550 -0.469 20 0 JBADLO CC(C)(C)OC(=O)N1C[C@@H](O)C[C@H](C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N2CCC[C@H]2C(N)=O)C1 ZINC001178668232 1068691887 /nfs/dbraw/zinc/69/18/87/1068691887.db2.gz MIOWQHKRVPIYTN-HJWJTTGWSA-N 1 2 478.550 -0.469 20 0 JBADLO CC(C)(C)OC(=O)N1C[C@H](C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N2CCC[C@H]2C(N)=O)C[C@H](O)C1 ZINC001178668233 1068691715 /nfs/dbraw/zinc/69/17/15/1068691715.db2.gz MIOWQHKRVPIYTN-IWCQGFGOSA-N 1 2 478.550 -0.469 20 0 JBADLO CC(C)(C)OC(=O)N1C[C@H](C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N2CCC[C@H]2C(N)=O)C[C@H](O)C1 ZINC001178668233 1068691709 /nfs/dbraw/zinc/69/17/09/1068691709.db2.gz MIOWQHKRVPIYTN-IWCQGFGOSA-N 1 2 478.550 -0.469 20 0 JBADLO CC(C)(C)OC(=O)N1C[C@H](O)C[C@H](C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N2CCC[C@H]2C(N)=O)C1 ZINC001178668234 1068692806 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452.515 -0.071 20 0 JBADLO CC(C)[NH+]1CCN(CC(=O)N2C[C@@H]3c4nc(N5CCOCC5)ncc4CS(=O)(=O)[C@@H]3C2)CC1 ZINC001180345260 1068714304 /nfs/dbraw/zinc/71/43/04/1068714304.db2.gz KWGNEHVHSJBEMI-RBUKOAKNSA-N 1 2 478.619 -0.438 20 0 JBADLO CC(C)[NH+]1CCN(CC(=O)N2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@H]3C(=O)N2CCOCC2)CC1 ZINC001180345793 1068714062 /nfs/dbraw/zinc/71/40/62/1068714062.db2.gz WJZURUQPYSAUQS-GUDVDZBRSA-N 1 2 456.609 -0.867 20 0 JBADLO CC(C)[NH+]1CCN(CC(=O)N2C[C@H]3[C@@H](C2)S(=O)(=O)CC[C@@H]3C(=O)N2CCOCC2)CC1 ZINC001180345794 1068714146 /nfs/dbraw/zinc/71/41/46/1068714146.db2.gz WJZURUQPYSAUQS-IPMKNSEASA-N 1 2 456.609 -0.867 20 0 JBADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)CCc1ccc(S(N)(=O)=O)cc1)CC2 ZINC001180377744 1068714968 /nfs/dbraw/zinc/71/49/68/1068714968.db2.gz PGMWNOKMJZXRQU-UHFFFAOYSA-N 1 2 474.587 -0.027 20 0 JBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CCc1ccc(S(N)(=O)=O)cc1 ZINC001180379491 1068714694 /nfs/dbraw/zinc/71/46/94/1068714694.db2.gz DAAVDWYBRCYMTE-IRXDYDNUSA-N 1 2 462.532 -0.807 20 0 JBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CCc1ccc(S(N)(=O)=O)cc1 ZINC001180379491 1068714688 /nfs/dbraw/zinc/71/46/88/1068714688.db2.gz DAAVDWYBRCYMTE-IRXDYDNUSA-N 1 2 462.532 -0.807 20 0 JBADLO COC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C(=O)NCCC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)[O-] ZINC001180409034 1068716221 /nfs/dbraw/zinc/71/62/21/1068716221.db2.gz AEBNRIHOFLTYQL-OTWHNJEPSA-N 1 2 471.514 -0.051 20 0 JBADLO COC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C(=O)NCCC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)[O-] ZINC001180409034 1068716207 /nfs/dbraw/zinc/71/62/07/1068716207.db2.gz AEBNRIHOFLTYQL-OTWHNJEPSA-N 1 2 471.514 -0.051 20 0 JBADLO COC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C(=O)NCCC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)[O-] ZINC001180409034 1068716192 /nfs/dbraw/zinc/71/61/92/1068716192.db2.gz AEBNRIHOFLTYQL-OTWHNJEPSA-N 1 2 471.514 -0.051 20 0 JBADLO COC(=O)[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C(=O)NCCC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)[O-] ZINC001180409034 1068716184 /nfs/dbraw/zinc/71/61/84/1068716184.db2.gz AEBNRIHOFLTYQL-OTWHNJEPSA-N 1 2 471.514 -0.051 20 0 JBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CN1C(=O)COc2ccc(Cl)cc21 ZINC001180421856 1068716735 /nfs/dbraw/zinc/71/67/35/1068716735.db2.gz BWJAFADGCOMGHW-GJZGRUSLSA-N 1 2 474.905 -0.008 20 0 JBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CN1C(=O)COc2ccc(Cl)cc21 ZINC001180421856 1068716727 /nfs/dbraw/zinc/71/67/27/1068716727.db2.gz BWJAFADGCOMGHW-GJZGRUSLSA-N 1 2 474.905 -0.008 20 0 JBADLO C[N@H+]1CCO[C@H](C(=O)N2C[C@@H](N3CCN(c4ncccn4)CC3)C[C@H]2C(=O)N2CCC(F)(F)C2)C1 ZINC001180760825 1068722406 /nfs/dbraw/zinc/72/24/06/1068722406.db2.gz YWJYOTHXOSOFIJ-FHWLQOOXSA-N 1 2 493.559 -0.234 20 0 JBADLO C[N@@H+]1CCO[C@H](C(=O)N2C[C@@H](N3CCN(c4ncccn4)CC3)C[C@H]2C(=O)N2CCC(F)(F)C2)C1 ZINC001180760825 1068722390 /nfs/dbraw/zinc/72/23/90/1068722390.db2.gz YWJYOTHXOSOFIJ-FHWLQOOXSA-N 1 2 493.559 -0.234 20 0 JBADLO C[N@H+]1CCO[C@@H](C(=O)N2C[C@@H](N3CCN(c4ncccn4)CC3)C[C@H]2C(=O)N2CCC(F)(F)C2)C1 ZINC001180760826 1068722237 /nfs/dbraw/zinc/72/22/37/1068722237.db2.gz YWJYOTHXOSOFIJ-GBESFXJTSA-N 1 2 493.559 -0.234 20 0 JBADLO C[N@@H+]1CCO[C@@H](C(=O)N2C[C@@H](N3CCN(c4ncccn4)CC3)C[C@H]2C(=O)N2CCC(F)(F)C2)C1 ZINC001180760826 1068722225 /nfs/dbraw/zinc/72/22/25/1068722225.db2.gz YWJYOTHXOSOFIJ-GBESFXJTSA-N 1 2 493.559 -0.234 20 0 JBADLO COC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001180789040 1068722503 /nfs/dbraw/zinc/72/25/03/1068722503.db2.gz GQCQFZNPRWOUSL-KKUMJFAQSA-N 1 2 452.512 -0.547 20 0 JBADLO COC[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001180789040 1068722495 /nfs/dbraw/zinc/72/24/95/1068722495.db2.gz GQCQFZNPRWOUSL-KKUMJFAQSA-N 1 2 452.512 -0.547 20 0 JBADLO CC(C)(C)OC(=O)N1CCN(CC(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N2CCC[C@H]2C(N)=O)CC1 ZINC001180797612 1068723052 /nfs/dbraw/zinc/72/30/52/1068723052.db2.gz PYDFZFIFKBSPRY-IRXDYDNUSA-N 1 2 477.566 -0.534 20 0 JBADLO CC(C)(C)OC(=O)N1CCN(CC(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N2CCC[C@H]2C(N)=O)CC1 ZINC001180797612 1068723039 /nfs/dbraw/zinc/72/30/39/1068723039.db2.gz PYDFZFIFKBSPRY-IRXDYDNUSA-N 1 2 477.566 -0.534 20 0 JBADLO CS(=O)(=O)Oc1ccc(CC(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N2CCC[C@H]2C(N)=O)cc1 ZINC001180872784 1068724347 /nfs/dbraw/zinc/72/43/47/1068724347.db2.gz ZVWOOVLEVATJBX-IRXDYDNUSA-N 1 2 463.516 -0.506 20 0 JBADLO CS(=O)(=O)Oc1ccc(CC(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N2CCC[C@H]2C(N)=O)cc1 ZINC001180872784 1068724334 /nfs/dbraw/zinc/72/43/34/1068724334.db2.gz ZVWOOVLEVATJBX-IRXDYDNUSA-N 1 2 463.516 -0.506 20 0 JBADLO CS(=O)(=O)c1ccc(C(=O)CCC(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N2CCC[C@H]2C(N)=O)cc1 ZINC001180912628 1068724856 /nfs/dbraw/zinc/72/48/56/1068724856.db2.gz SYDIFGOXSXDRPU-ROUUACIJSA-N 1 2 489.554 -0.020 20 0 JBADLO CS(=O)(=O)c1ccc(C(=O)CCC(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N2CCC[C@H]2C(N)=O)cc1 ZINC001180912628 1068724843 /nfs/dbraw/zinc/72/48/43/1068724843.db2.gz SYDIFGOXSXDRPU-ROUUACIJSA-N 1 2 489.554 -0.020 20 0 JBADLO O=C([C@@H]1C[C@H]([NH+]2CCN(c3ncccn3)CC2)CN1C(=O)[C@@H]1COCCO1)N1CCC(F)(F)C1 ZINC001180999351 1068726311 /nfs/dbraw/zinc/72/63/11/1068726311.db2.gz AXLDYNUPMXKEQS-BZSNNMDCSA-N 1 2 480.516 -0.149 20 0 JBADLO O=C([C@@H]1C[C@H]([NH+]2CCN(c3ncccn3)CC2)CN1C(=O)[C@H]1COCCO1)N1CCC(F)(F)C1 ZINC001180999352 1068726228 /nfs/dbraw/zinc/72/62/28/1068726228.db2.gz AXLDYNUPMXKEQS-OKZBNKHCSA-N 1 2 480.516 -0.149 20 0 JBADLO CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001181045982 1068726966 /nfs/dbraw/zinc/72/69/66/1068726966.db2.gz KZDXGZUVLCDASH-KKUMJFAQSA-N 1 2 480.522 -0.630 20 0 JBADLO CCOC(=O)[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001181045982 1068726958 /nfs/dbraw/zinc/72/69/58/1068726958.db2.gz KZDXGZUVLCDASH-KKUMJFAQSA-N 1 2 480.522 -0.630 20 0 JBADLO CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001181045983 1068726704 /nfs/dbraw/zinc/72/67/04/1068726704.db2.gz KZDXGZUVLCDASH-SOUVJXGZSA-N 1 2 480.522 -0.630 20 0 JBADLO CCOC(=O)[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001181045983 1068726692 /nfs/dbraw/zinc/72/66/92/1068726692.db2.gz KZDXGZUVLCDASH-SOUVJXGZSA-N 1 2 480.522 -0.630 20 0 JBADLO COC(=O)[C@H](CCC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]1C(N)=O)NC(=O)OC(C)(C)C ZINC001181117662 1068727892 /nfs/dbraw/zinc/72/78/92/1068727892.db2.gz AFXOEXVFDZLYAO-JYJNAYRXSA-N 1 2 494.549 -0.240 20 0 JBADLO COC(=O)[C@H](CCC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]1C(N)=O)NC(=O)OC(C)(C)C ZINC001181117662 1068727880 /nfs/dbraw/zinc/72/78/80/1068727880.db2.gz AFXOEXVFDZLYAO-JYJNAYRXSA-N 1 2 494.549 -0.240 20 0 JBADLO CC(C)(C)OC(=O)NCCOCCOCC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001181149129 1068728609 /nfs/dbraw/zinc/72/86/09/1068728609.db2.gz OBBWENQTKMAWRH-IRXDYDNUSA-N 1 2 496.565 -0.529 20 0 JBADLO CC(C)(C)OC(=O)NCCOCCOCC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001181149129 1068728606 /nfs/dbraw/zinc/72/86/06/1068728606.db2.gz OBBWENQTKMAWRH-IRXDYDNUSA-N 1 2 496.565 -0.529 20 0 JBADLO CC(=O)N[C@H](Cc1c(F)cccc1F)C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001181319414 1068730335 /nfs/dbraw/zinc/73/03/35/1068730335.db2.gz SOJSNUIGQMYDPR-QYZOEREBSA-N 1 2 476.484 -0.061 20 0 JBADLO CC(=O)N[C@H](Cc1c(F)cccc1F)C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001181319414 1068730325 /nfs/dbraw/zinc/73/03/25/1068730325.db2.gz SOJSNUIGQMYDPR-QYZOEREBSA-N 1 2 476.484 -0.061 20 0 JBADLO COC(=O)CC(=O)N1C[C@@H]([NH+]2CCN(c3ncccn3)CC2)C[C@H]1C(=O)N1CCC(F)(F)C1 ZINC001181387697 1068730206 /nfs/dbraw/zinc/73/02/06/1068730206.db2.gz JRDJGZKPWHNGGF-HOTGVXAUSA-N 1 2 466.489 -0.001 20 0 JBADLO CC(=O)OCC(=O)N1C[C@@H]([NH+]2CCN(c3ncccn3)CC2)C[C@H]1C(=O)N1CCC(F)(F)C1 ZINC001181401356 1068730985 /nfs/dbraw/zinc/73/09/85/1068730985.db2.gz HXBNCDHHHBODFX-IRXDYDNUSA-N 1 2 466.489 -0.001 20 0 JBADLO C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001181423735 1068730878 /nfs/dbraw/zinc/73/08/78/1068730878.db2.gz LWUPCBMRRUPLIK-SDADXPQNSA-N 1 2 493.565 -0.669 20 0 JBADLO C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001181423735 1068730869 /nfs/dbraw/zinc/73/08/69/1068730869.db2.gz LWUPCBMRRUPLIK-SDADXPQNSA-N 1 2 493.565 -0.669 20 0 JBADLO CC(C)(C)OC(=O)N[C@@H](CCC(N)=O)CC(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001181441735 1068731581 /nfs/dbraw/zinc/73/15/81/1068731581.db2.gz QAHNTWGXSQSERJ-BPUTZDHNSA-N 1 2 493.565 -0.538 20 0 JBADLO CC(C)(C)OC(=O)N[C@@H](CCC(N)=O)CC(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001181441735 1068731571 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1068761531 /nfs/dbraw/zinc/76/15/31/1068761531.db2.gz LDMCWABZHGQRHK-DLBZAZTESA-N 1 2 459.503 -0.556 20 0 JBADLO CCN1CCN(C(=O)N[C@@H](C(=O)N2CC[N@@H+](C)C[C@@H]2C(=O)OC)c2ccccc2)C(=O)C1=O ZINC001183154889 1068761700 /nfs/dbraw/zinc/76/17/00/1068761700.db2.gz LDMCWABZHGQRHK-IAGOWNOFSA-N 1 2 459.503 -0.556 20 0 JBADLO CCN1CCN(C(=O)N[C@@H](C(=O)N2CC[N@H+](C)C[C@@H]2C(=O)OC)c2ccccc2)C(=O)C1=O ZINC001183154889 1068761681 /nfs/dbraw/zinc/76/16/81/1068761681.db2.gz LDMCWABZHGQRHK-IAGOWNOFSA-N 1 2 459.503 -0.556 20 0 JBADLO CCN1CCN(C(=O)N[C@@H](C(=O)N[C@H](Cc2c[nH+]cn2C)C(=O)OC)c2ccccc2)C(=O)C1=O ZINC001183156331 1068763332 /nfs/dbraw/zinc/76/33/32/1068763332.db2.gz SNMSQPPRWRAVTK-QZTJIDSGSA-N 1 2 484.513 -0.238 20 0 JBADLO CCN1CCN(C(=O)N[C@@H](C(=O)N[C@@H](Cc2c[nH+]cn2C)C(=O)OC)c2ccccc2)C(=O)C1=O ZINC001183156332 1068763288 /nfs/dbraw/zinc/76/32/88/1068763288.db2.gz SNMSQPPRWRAVTK-ZWKOTPCHSA-N 1 2 484.513 -0.238 20 0 JBADLO Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N2CCC[C@H]2C(N)=O)cc1 ZINC001183224153 1068763235 /nfs/dbraw/zinc/76/32/35/1068763235.db2.gz BMUQASAOJRVFDN-WBAXXEDZSA-N 1 2 476.559 -0.411 20 0 JBADLO Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N2CCC[C@H]2C(N)=O)cc1 ZINC001183224153 1068763229 /nfs/dbraw/zinc/76/32/29/1068763229.db2.gz BMUQASAOJRVFDN-WBAXXEDZSA-N 1 2 476.559 -0.411 20 0 JBADLO CCOC(=O)C(=O)N1C[C@@H]([NH+]2CCN(c3ncccn3)CC2)C[C@H]1C(=O)N1CCC(F)(F)C1 ZINC001183249764 1068764054 /nfs/dbraw/zinc/76/40/54/1068764054.db2.gz CFGYPMOUSRTXCU-HOTGVXAUSA-N 1 2 466.489 -0.001 20 0 JBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CCn1cc(Br)ccc1=O ZINC001183252880 1068763943 /nfs/dbraw/zinc/76/39/43/1068763943.db2.gz FGDAERHAPSMVKL-GJZGRUSLSA-N 1 2 479.335 -0.072 20 0 JBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CCn1cc(Br)ccc1=O ZINC001183252880 1068763937 /nfs/dbraw/zinc/76/39/37/1068763937.db2.gz FGDAERHAPSMVKL-GJZGRUSLSA-N 1 2 479.335 -0.072 20 0 JBADLO CC(C)(C)OC(=O)N1CCC(=O)[C@@H](C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N2CCC[C@H]2C(N)=O)C1 ZINC001183307804 1068764719 /nfs/dbraw/zinc/76/47/19/1068764719.db2.gz FBOVIRVHYLDDRQ-JYJNAYRXSA-N 1 2 476.534 -0.261 20 0 JBADLO CC(C)(C)OC(=O)N1CCC(=O)[C@@H](C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N2CCC[C@H]2C(N)=O)C1 ZINC001183307804 1068764703 /nfs/dbraw/zinc/76/47/03/1068764703.db2.gz FBOVIRVHYLDDRQ-JYJNAYRXSA-N 1 2 476.534 -0.261 20 0 JBADLO CC(C)(C)OC(=O)N1CCC(=O)[C@H](C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N2CCC[C@H]2C(N)=O)C1 ZINC001183307805 1068765114 /nfs/dbraw/zinc/76/51/14/1068765114.db2.gz FBOVIRVHYLDDRQ-PMPSAXMXSA-N 1 2 476.534 -0.261 20 0 JBADLO CC(C)(C)OC(=O)N1CCC(=O)[C@H](C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N2CCC[C@H]2C(N)=O)C1 ZINC001183307805 1068765101 /nfs/dbraw/zinc/76/51/01/1068765101.db2.gz FBOVIRVHYLDDRQ-PMPSAXMXSA-N 1 2 476.534 -0.261 20 0 JBADLO CC(=O)N[C@H](Cc1c[nH]c2ncccc12)C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001183457976 1068767145 /nfs/dbraw/zinc/76/71/45/1068767145.db2.gz ZRKNUILSXWHZIE-QYZOEREBSA-N 1 2 480.529 -0.463 20 0 JBADLO CC(=O)N[C@H](Cc1c[nH]c2ncccc12)C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001183457976 1068767132 /nfs/dbraw/zinc/76/71/32/1068767132.db2.gz ZRKNUILSXWHZIE-QYZOEREBSA-N 1 2 480.529 -0.463 20 0 JBADLO COC(=O)[C@H](Cc1c[nH+]cn1C)NC(=O)C1=C([C@H]2CCCO2)S[C@@H]2[C@@H]([C@@H](C)O)C(=O)N12 ZINC001183463378 1068768685 /nfs/dbraw/zinc/76/86/85/1068768685.db2.gz IJVKXRLXZLOXIQ-MSQDPZGJSA-N 1 2 450.517 -0.077 20 0 JBADLO COC(=O)[C@@H](Cc1c[nH+]cn1C)NC(=O)C1=C([C@H]2CCCO2)S[C@@H]2[C@@H]([C@@H](C)O)C(=O)N12 ZINC001183463379 1068768508 /nfs/dbraw/zinc/76/85/08/1068768508.db2.gz IJVKXRLXZLOXIQ-UAWDUVQGSA-N 1 2 450.517 -0.077 20 0 JBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)CCN1C(=O)Cc2ccccc2C1=O ZINC001183530880 1068770279 /nfs/dbraw/zinc/77/02/79/1068770279.db2.gz DRSKTJKFCRZPHH-ROUUACIJSA-N 1 2 466.498 -0.472 20 0 JBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CCN1C(=O)Cc2ccccc2C1=O ZINC001183530880 1068770265 /nfs/dbraw/zinc/77/02/65/1068770265.db2.gz DRSKTJKFCRZPHH-ROUUACIJSA-N 1 2 466.498 -0.472 20 0 JBADLO CC(C)(C)OC(=O)N1CCOC[C@]1(C)C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001183634424 1068770909 /nfs/dbraw/zinc/77/09/09/1068770909.db2.gz SFSVWOKTKGCZJN-PONJGIIJSA-N 1 2 478.550 -0.061 20 0 JBADLO CC(C)(C)OC(=O)N1CCOC[C@]1(C)C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001183634424 1068770896 /nfs/dbraw/zinc/77/08/96/1068770896.db2.gz SFSVWOKTKGCZJN-PONJGIIJSA-N 1 2 478.550 -0.061 20 0 JBADLO CC(C)(C)OC(=O)N1CCOC[C@@]1(C)C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001183634426 1068771095 /nfs/dbraw/zinc/77/10/95/1068771095.db2.gz SFSVWOKTKGCZJN-WCJKSRRJSA-N 1 2 478.550 -0.061 20 0 JBADLO CC(C)(C)OC(=O)N1CCOC[C@@]1(C)C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001183634426 1068771089 /nfs/dbraw/zinc/77/10/89/1068771089.db2.gz SFSVWOKTKGCZJN-WCJKSRRJSA-N 1 2 478.550 -0.061 20 0 JBADLO Cn1cnc2c1[C@H](COCC[NH+]1CCOCC1)CN(C(=O)Cn1cc(F)c(=O)[nH]c1=O)C2 ZINC001183657773 1068772647 /nfs/dbraw/zinc/77/26/47/1068772647.db2.gz QHPLIPAOZDRAQV-AWEZNQCLSA-N 1 2 450.471 -0.704 20 0 JBADLO Cn1cnc2c1[C@@H](COCC[NH+]1CCOCC1)CN(C(=O)Cn1cc(F)c(=O)[nH]c1=O)C2 ZINC001183657840 1068772402 /nfs/dbraw/zinc/77/24/02/1068772402.db2.gz QHPLIPAOZDRAQV-CQSZACIVSA-N 1 2 450.471 -0.704 20 0 JBADLO Cc1cc(=O)oc2cc(NC(=O)[C@H](Cc3c[nH+]c[nH]3)NC(=O)C[C@@H]3NC(=O)CNC3=O)ccc12 ZINC001183728135 1068774133 /nfs/dbraw/zinc/77/41/33/1068774133.db2.gz ANYSASWLXXEEDU-HOTGVXAUSA-N 1 2 466.454 -0.505 20 0 JBADLO Cc1cc(=O)oc2cc(NC(=O)[C@H](Cc3c[nH]c[nH+]3)NC(=O)C[C@@H]3NC(=O)CNC3=O)ccc12 ZINC001183728135 1068774124 /nfs/dbraw/zinc/77/41/24/1068774124.db2.gz ANYSASWLXXEEDU-HOTGVXAUSA-N 1 2 466.454 -0.505 20 0 JBADLO CN(C)c1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](NC(=O)[C@H]2CC[N@H+]2Cc2ccccc2)[C@H]1O ZINC001183756151 1068776958 /nfs/dbraw/zinc/77/69/58/1068776958.db2.gz FFRRXYJQTGPPMZ-HMFTUFPWSA-N 1 2 467.530 -0.098 20 0 JBADLO CN(C)c1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](NC(=O)[C@H]2CC[N@@H+]2Cc2ccccc2)[C@H]1O ZINC001183756151 1068776942 /nfs/dbraw/zinc/77/69/42/1068776942.db2.gz FFRRXYJQTGPPMZ-HMFTUFPWSA-N 1 2 467.530 -0.098 20 0 JBADLO CN(C)c1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](NC(=O)[C@@H]2CC[N@H+]2Cc2ccccc2)[C@H]1O ZINC001183756154 1068776620 /nfs/dbraw/zinc/77/66/20/1068776620.db2.gz FFRRXYJQTGPPMZ-PXBBLBRZSA-N 1 2 467.530 -0.098 20 0 JBADLO CN(C)c1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](NC(=O)[C@@H]2CC[N@@H+]2Cc2ccccc2)[C@H]1O ZINC001183756154 1068776606 /nfs/dbraw/zinc/77/66/06/1068776606.db2.gz FFRRXYJQTGPPMZ-PXBBLBRZSA-N 1 2 467.530 -0.098 20 0 JBADLO COC(=O)[C@@H]1C[N@@H+](C)CCN1C(=O)[C@@H]1CCCN1C(=O)CNS(=O)(=O)c1ccc(C)cc1 ZINC001183772135 1068774485 /nfs/dbraw/zinc/77/44/85/1068774485.db2.gz PRDQLFBNPBGCEP-ROUUACIJSA-N 1 2 466.560 -0.420 20 0 JBADLO COC(=O)[C@@H]1C[N@H+](C)CCN1C(=O)[C@@H]1CCCN1C(=O)CNS(=O)(=O)c1ccc(C)cc1 ZINC001183772135 1068774480 /nfs/dbraw/zinc/77/44/80/1068774480.db2.gz PRDQLFBNPBGCEP-ROUUACIJSA-N 1 2 466.560 -0.420 20 0 JBADLO COC(=O)[C@H]1C[N@@H+](C)CCN1C(=O)[C@@H]1CCCN1C(=O)CNS(=O)(=O)c1ccc(C)cc1 ZINC001183772136 1068774615 /nfs/dbraw/zinc/77/46/15/1068774615.db2.gz PRDQLFBNPBGCEP-ZWKOTPCHSA-N 1 2 466.560 -0.420 20 0 JBADLO COC(=O)[C@H]1C[N@H+](C)CCN1C(=O)[C@@H]1CCCN1C(=O)CNS(=O)(=O)c1ccc(C)cc1 ZINC001183772136 1068774608 /nfs/dbraw/zinc/77/46/08/1068774608.db2.gz PRDQLFBNPBGCEP-ZWKOTPCHSA-N 1 2 466.560 -0.420 20 0 JBADLO COC(=O)[C@@H](Cc1c[nH+]cn1C)NC(=O)[C@@H]1CCCN1C(=O)CNS(=O)(=O)c1ccc(C)cc1 ZINC001183776607 1068776081 /nfs/dbraw/zinc/77/60/81/1068776081.db2.gz NNHIGQRGFJNIID-MOPGFXCFSA-N 1 2 491.570 -0.102 20 0 JBADLO COC(=O)[C@H](Cc1c[nH+]cn1C)NC(=O)[C@@H]1CCCN1C(=O)CNS(=O)(=O)c1ccc(C)cc1 ZINC001183776608 1068775877 /nfs/dbraw/zinc/77/58/77/1068775877.db2.gz NNHIGQRGFJNIID-OALUTQOASA-N 1 2 491.570 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CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N1CCCn2c(C[N@H+](C)C(C)C)nnc2C1 ZINC001186629615 1068830090 /nfs/dbraw/zinc/83/00/90/1068830090.db2.gz CVIPPYGHEDNFAG-JYJNAYRXSA-N 1 2 478.598 -0.615 20 0 JBADLO CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N1CCCn2c(C[N@@H+](C)C(C)C)nnc2C1 ZINC001186629615 1068830073 /nfs/dbraw/zinc/83/00/73/1068830073.db2.gz CVIPPYGHEDNFAG-JYJNAYRXSA-N 1 2 478.598 -0.615 20 0 JBADLO COC(=O)c1ccc(C[NH+]2CCN(C(=O)[C@H](C)NC(=O)[C@H](C)NC(=O)[C@H](C)NC(C)=O)CC2)cc1 ZINC001186631538 1068834701 /nfs/dbraw/zinc/83/47/01/1068834701.db2.gz RKDHBSGCWHMSAK-ULQDDVLXSA-N 1 2 489.573 -0.349 20 0 JBADLO CC(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N1CC[NH+](CCOc2ccccc2)CC1 ZINC001186631611 1068825218 /nfs/dbraw/zinc/82/52/18/1068825218.db2.gz UNOMQCXZXDPAPI-BZSNNMDCSA-N 1 2 461.563 -0.256 20 0 JBADLO C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](CCC(=O)Nc1cnn(CC[NH+]2CCOCC2)c1)C(N)=O ZINC001186642284 1068846140 /nfs/dbraw/zinc/84/61/40/1068846140.db2.gz 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ZINC001186813096 1068856274 /nfs/dbraw/zinc/85/62/74/1068856274.db2.gz WQBSARADUYMOJZ-DSFVOBFGSA-N 1 2 489.529 -0.579 20 0 JBADLO CCOC(=O)[C@@]1(C(C)=O)CCC(=O)[C@@H](C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N2CCC[C@H]2C(N)=O)C1 ZINC001186813096 1068856262 /nfs/dbraw/zinc/85/62/62/1068856262.db2.gz WQBSARADUYMOJZ-DSFVOBFGSA-N 1 2 489.529 -0.579 20 0 JBADLO CCOC(=O)[C@@]1(C(C)=O)CCC(=O)[C@H](C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N2CCC[C@H]2C(N)=O)C1 ZINC001186813097 1068856052 /nfs/dbraw/zinc/85/60/52/1068856052.db2.gz WQBSARADUYMOJZ-QGWOYLBSSA-N 1 2 489.529 -0.579 20 0 JBADLO CCOC(=O)[C@@]1(C(C)=O)CCC(=O)[C@H](C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N2CCC[C@H]2C(N)=O)C1 ZINC001186813097 1068856040 /nfs/dbraw/zinc/85/60/40/1068856040.db2.gz WQBSARADUYMOJZ-QGWOYLBSSA-N 1 2 489.529 -0.579 20 0 JBADLO CCOC(=O)[C@]1(C(C)=O)CCC(=O)[C@H](C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N2CCC[C@H]2C(N)=O)C1 ZINC001186813098 1068856413 /nfs/dbraw/zinc/85/64/13/1068856413.db2.gz WQBSARADUYMOJZ-XPGVTRPJSA-N 1 2 489.529 -0.579 20 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Cc1cc(=O)oc2cc(NC(=O)[C@H](Cc3c[nH+]c[nH]3)NC(=O)CNC(=O)[C@@H]3CCC(=O)N3)ccc12 ZINC001187525636 1068863153 /nfs/dbraw/zinc/86/31/53/1068863153.db2.gz FXOKNLDFPWEYRP-IRXDYDNUSA-N 1 2 480.481 -0.115 20 0 JBADLO Cc1cc(=O)oc2cc(NC(=O)[C@H](Cc3c[nH]c[nH+]3)NC(=O)CNC(=O)[C@@H]3CCC(=O)N3)ccc12 ZINC001187525636 1068863142 /nfs/dbraw/zinc/86/31/42/1068863142.db2.gz FXOKNLDFPWEYRP-IRXDYDNUSA-N 1 2 480.481 -0.115 20 0 JBADLO CN(C)S(=O)(=O)c1cccc(C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N2CCC[C@H]2C(N)=O)c1 ZINC001187960448 1068868018 /nfs/dbraw/zinc/86/80/18/1068868018.db2.gz UAGUJZYPPPEWRW-IRXDYDNUSA-N 1 2 462.532 -0.523 20 0 JBADLO CN(C)S(=O)(=O)c1cccc(C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N2CCC[C@H]2C(N)=O)c1 ZINC001187960448 1068868001 /nfs/dbraw/zinc/86/80/01/1068868001.db2.gz UAGUJZYPPPEWRW-IRXDYDNUSA-N 1 2 462.532 -0.523 20 0 JBADLO CNS(=O)(=O)c1ccc(C(=O)N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)cc1 ZINC001188116056 1068869691 /nfs/dbraw/zinc/86/96/91/1068869691.db2.gz VHOLGJXYMDEHBD-UHFFFAOYSA-N 1 2 460.560 -0.086 20 0 JBADLO Cn1ncc(I)c1C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001188475500 1068872455 /nfs/dbraw/zinc/87/24/55/1068872455.db2.gz AJSLWCJIMZJSAI-RYUDHWBXSA-N 1 2 485.286 -0.435 20 0 JBADLO Cn1ncc(I)c1C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001188475500 1068872439 /nfs/dbraw/zinc/87/24/39/1068872439.db2.gz AJSLWCJIMZJSAI-RYUDHWBXSA-N 1 2 485.286 -0.435 20 0 JBADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(S(=O)(=O)c1ccc(N3CCOCC3)nc1)CC2 ZINC001188506854 1068873526 /nfs/dbraw/zinc/87/35/26/1068873526.db2.gz SWXYIKSLEYHOSS-UHFFFAOYSA-N 1 2 489.602 -0.214 20 0 JBADLO CCc1ccccc1NC(=O)CNC(=O)CN1C(=O)C(=O)N(CCC[NH+]2CCOCC2)C1=O ZINC001188988139 1068877573 /nfs/dbraw/zinc/87/75/73/1068877573.db2.gz JYMAPSAMYYNROE-UHFFFAOYSA-N 1 2 459.503 -0.183 20 0 JBADLO CS(=O)(=O)N(CCN1C(=O)C(=O)N(CCC[NH+]2CCOCC2)C1=O)Cc1ccccc1 ZINC001188988353 1068877428 /nfs/dbraw/zinc/87/74/28/1068877428.db2.gz MLQQMNZIZTXWMP-UHFFFAOYSA-N 1 2 452.533 -0.039 20 0 JBADLO O=C(CN1C(=O)C(=O)N(CCC[NH+]2CCOCC2)C1=O)NCCCN1CCCCCC1=O ZINC001188989174 1068877394 /nfs/dbraw/zinc/87/73/94/1068877394.db2.gz YSFLVKSXNKZCCU-UHFFFAOYSA-N 1 2 451.524 -0.592 20 0 JBADLO Cn1cc(I)c(=O)n(CC(=O)NCC(C)(C)[NH+]2CCOCC2)c1=O ZINC001189069601 1068877288 /nfs/dbraw/zinc/87/72/88/1068877288.db2.gz HSMQFNCWVPDXDC-UHFFFAOYSA-N 1 2 450.277 -0.621 20 0 JBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1[nH]ncc1I ZINC001189145512 1068878890 /nfs/dbraw/zinc/87/88/90/1068878890.db2.gz XGYRJAIIHVAHNY-QWRGUYRKSA-N 1 2 471.259 -0.445 20 0 JBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1[nH]ncc1I ZINC001189145512 1068878877 /nfs/dbraw/zinc/87/88/77/1068878877.db2.gz XGYRJAIIHVAHNY-QWRGUYRKSA-N 1 2 471.259 -0.445 20 0 JBADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)c1cnc(N3CCOCC3)nc1)CC2 ZINC001189384677 1068880363 /nfs/dbraw/zinc/88/03/63/1068880363.db2.gz PZMGEMGPDSJFAH-UHFFFAOYSA-N 1 2 454.535 -0.367 20 0 JBADLO CNC(=O)C[N@H+]1CCOC[C@@]2(CCCN(C(=O)c3cc(S(N)(=O)=O)cc(OC)c3OC)C2)C1 ZINC001189556393 1068883009 /nfs/dbraw/zinc/88/30/09/1068883009.db2.gz OEGXXZLVAGHUMF-NRFANRHFSA-N 1 2 484.575 -0.348 20 0 JBADLO CNC(=O)C[N@@H+]1CCOC[C@@]2(CCCN(C(=O)c3cc(S(N)(=O)=O)cc(OC)c3OC)C2)C1 ZINC001189556393 1068883003 /nfs/dbraw/zinc/88/30/03/1068883003.db2.gz OEGXXZLVAGHUMF-NRFANRHFSA-N 1 2 484.575 -0.348 20 0 JBADLO CNC(=O)C[N@H+]1CCOC[C@]2(CCCN(C(=O)c3cc(S(N)(=O)=O)cc(OC)c3OC)C2)C1 ZINC001189556396 1068882957 /nfs/dbraw/zinc/88/29/57/1068882957.db2.gz OEGXXZLVAGHUMF-OAQYLSRUSA-N 1 2 484.575 -0.348 20 0 JBADLO CNC(=O)C[N@@H+]1CCOC[C@]2(CCCN(C(=O)c3cc(S(N)(=O)=O)cc(OC)c3OC)C2)C1 ZINC001189556396 1068882950 /nfs/dbraw/zinc/88/29/50/1068882950.db2.gz OEGXXZLVAGHUMF-OAQYLSRUSA-N 1 2 484.575 -0.348 20 0 JBADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)c1cc(CN3CCOCC3)on1)CC2 ZINC001190200793 1068889476 /nfs/dbraw/zinc/88/94/76/1068889476.db2.gz ZCWVTKJLFQDPOH-UHFFFAOYSA-N 1 2 457.535 -0.174 20 0 JBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1cc(I)c[nH]c1=O ZINC001190617257 1068892790 /nfs/dbraw/zinc/89/27/90/1068892790.db2.gz CKTQIZVDOREPFV-STQMWFEESA-N 1 2 498.281 -0.068 20 0 JBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1cc(I)c[nH]c1=O ZINC001190617257 1068892776 /nfs/dbraw/zinc/89/27/76/1068892776.db2.gz CKTQIZVDOREPFV-STQMWFEESA-N 1 2 498.281 -0.068 20 0 JBADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(C(=O)c1cncc(N3CCOCC3)n1)CC2 ZINC001190765525 1068894195 /nfs/dbraw/zinc/89/41/95/1068894195.db2.gz XJSGCBHIPZZTHD-UHFFFAOYSA-N 1 2 454.535 -0.367 20 0 JBADLO CCN1CC[NH+](Cc2ccc(C(=O)N[C@H]3[C@H](n4ccc(N)nc4=O)O[C@H](CO)[C@H]3O)cc2)CC1 ZINC001190866603 1068895611 /nfs/dbraw/zinc/89/56/11/1068895611.db2.gz SCFNQATYILASLJ-JWUVWSEFSA-N 1 2 472.546 -0.745 20 0 JBADLO Cn1cc(Br)cc(C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N2CCC[C@H]2C(N)=O)c1=O ZINC001191209382 1068897435 /nfs/dbraw/zinc/89/74/35/1068897435.db2.gz PPZOLEYRMUUWBU-KBPBESRZSA-N 1 2 465.308 -0.312 20 0 JBADLO CN(CC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1)C[C@H](O)C[NH+]1CCOCC1 ZINC001191477440 1068899707 /nfs/dbraw/zinc/89/97/07/1068899707.db2.gz YHNYVYHBADCLQG-FQEVSTJZSA-N 1 2 454.593 -0.715 20 0 JBADLO CN(CC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1)C[C@@H](O)C[NH+]1CCOCC1 ZINC001191477441 1068899542 /nfs/dbraw/zinc/89/95/42/1068899542.db2.gz YHNYVYHBADCLQG-HXUWFJFHSA-N 1 2 454.593 -0.715 20 0 JBADLO O=C(c1ncc[nH]c1=O)N1C[C@@H]([NH+]2CCN(c3ncccn3)CC2)C[C@H]1C(=O)N1CCC(F)(F)C1 ZINC001191510768 1068899804 /nfs/dbraw/zinc/89/98/04/1068899804.db2.gz QPGMCRVPCBWZFM-HOTGVXAUSA-N 1 2 488.499 -0.167 20 0 JBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1nccnc1I ZINC001191538250 1068900258 /nfs/dbraw/zinc/90/02/58/1068900258.db2.gz YEIPRQRENKAAOX-QWRGUYRKSA-N 1 2 483.270 -0.378 20 0 JBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1nccnc1I ZINC001191538250 1068900254 /nfs/dbraw/zinc/90/02/54/1068900254.db2.gz YEIPRQRENKAAOX-QWRGUYRKSA-N 1 2 483.270 -0.378 20 0 JBADLO CNC(=O)c1ccc(S(=O)(=O)N2CCc3c(C(=O)N4CC[NH+](C)CC4)nn(C)c3C2)cc1 ZINC001191589380 1068900224 /nfs/dbraw/zinc/90/02/24/1068900224.db2.gz MOKVKHOVZOOWKC-UHFFFAOYSA-N 1 2 460.560 -0.086 20 0 JBADLO CCOC(=O)C[C@@H]1CCCC[C@@]1(O)C[NH+]1CCN(CC(=O)N[C@H]2CCS(=O)(=O)C2)CC1 ZINC001191753108 1068902076 /nfs/dbraw/zinc/90/20/76/1068902076.db2.gz DRWLWSBFNPSKPL-BBTUJRGHSA-N 1 2 459.609 -0.218 20 0 JBADLO CCOC(=O)C[C@@H]1CCCC[C@@]1(O)C[NH+]1CCN(CC(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001191753109 1068901965 /nfs/dbraw/zinc/90/19/65/1068901965.db2.gz DRWLWSBFNPSKPL-WAOWUJCRSA-N 1 2 459.609 -0.218 20 0 JBADLO C[C@H]([NH2+][C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC001192043641 1068904426 /nfs/dbraw/zinc/90/44/26/1068904426.db2.gz VHOPJUZVNMDIIN-DBVUQKKJSA-N 1 2 452.577 -0.062 20 0 JBADLO C[C@H]([NH2+][C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC001192043643 1068904341 /nfs/dbraw/zinc/90/43/41/1068904341.db2.gz VHOPJUZVNMDIIN-FFZOFVMBSA-N 1 2 452.577 -0.062 20 0 JBADLO C[C@H]([NH2+][C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC001192043645 1068904433 /nfs/dbraw/zinc/90/44/33/1068904433.db2.gz VHOPJUZVNMDIIN-PWIZWCRZSA-N 1 2 452.577 -0.062 20 0 JBADLO C[C@H]([NH2+][C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1)C(=O)Nc1ccc(N2CCOCC2)cc1 ZINC001192043646 1068904380 /nfs/dbraw/zinc/90/43/80/1068904380.db2.gz VHOPJUZVNMDIIN-VDGAXYAQSA-N 1 2 452.577 -0.062 20 0 JBADLO COc1ccc(C)cc1NC(=O)CNC(=O)C[NH2+][C@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 ZINC001192043906 1068904401 /nfs/dbraw/zinc/90/44/01/1068904401.db2.gz XNMTUDBDMPZRGG-DLBZAZTESA-N 1 2 454.549 -0.854 20 0 JBADLO COc1ccc(C)cc1NC(=O)CNC(=O)C[NH2+][C@@H]1CS(=O)(=O)C[C@H]1N1CCOCC1 ZINC001192043907 1068904322 /nfs/dbraw/zinc/90/43/22/1068904322.db2.gz XNMTUDBDMPZRGG-IAGOWNOFSA-N 1 2 454.549 -0.854 20 0 JBADLO COc1ccc(C)cc1NC(=O)CNC(=O)C[NH2+][C@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 ZINC001192043908 1068904453 /nfs/dbraw/zinc/90/44/53/1068904453.db2.gz XNMTUDBDMPZRGG-IRXDYDNUSA-N 1 2 454.549 -0.854 20 0 JBADLO COc1ccc(C)cc1NC(=O)CNC(=O)C[NH2+][C@@H]1CS(=O)(=O)C[C@@H]1N1CCOCC1 ZINC001192043909 1068904354 /nfs/dbraw/zinc/90/43/54/1068904354.db2.gz XNMTUDBDMPZRGG-SJORKVTESA-N 1 2 454.549 -0.854 20 0 JBADLO CN(C1CC[NH+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)CC1)S(C)(=O)=O ZINC001192100488 1068905106 /nfs/dbraw/zinc/90/51/06/1068905106.db2.gz PNJRRVOGUJITLX-UHFFFAOYSA-N 1 2 458.606 -0.125 20 0 JBADLO COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)C[N@H+]3CCSC[C@@H]3CO)CC2)c1 ZINC001192262070 1068906112 /nfs/dbraw/zinc/90/61/12/1068906112.db2.gz QBEOBEPBGGZOGQ-HNNXBMFYSA-N 1 2 459.590 -0.054 20 0 JBADLO COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)C[N@@H+]3CCSC[C@@H]3CO)CC2)c1 ZINC001192262070 1068906111 /nfs/dbraw/zinc/90/61/11/1068906111.db2.gz QBEOBEPBGGZOGQ-HNNXBMFYSA-N 1 2 459.590 -0.054 20 0 JBADLO COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)C[N@H+]3CCSC[C@H]3CO)CC2)c1 ZINC001192262071 1068906020 /nfs/dbraw/zinc/90/60/20/1068906020.db2.gz QBEOBEPBGGZOGQ-OAHLLOKOSA-N 1 2 459.590 -0.054 20 0 JBADLO COc1ccc(OC)c(S(=O)(=O)N2CCN(C(=O)C[N@@H+]3CCSC[C@H]3CO)CC2)c1 ZINC001192262071 1068906017 /nfs/dbraw/zinc/90/60/17/1068906017.db2.gz QBEOBEPBGGZOGQ-OAHLLOKOSA-N 1 2 459.590 -0.054 20 0 JBADLO NS(=O)(=O)[C@@H]1CC[N@@H+](CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)C1 ZINC001192271283 1068906174 /nfs/dbraw/zinc/90/61/74/1068906174.db2.gz DEPBXSUZHXVPLE-GOSISDBHSA-N 1 2 456.590 -0.629 20 0 JBADLO NS(=O)(=O)[C@@H]1CC[N@H+](CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)C1 ZINC001192271283 1068906172 /nfs/dbraw/zinc/90/61/72/1068906172.db2.gz DEPBXSUZHXVPLE-GOSISDBHSA-N 1 2 456.590 -0.629 20 0 JBADLO NS(=O)(=O)[C@H]1CC[N@@H+](CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)C1 ZINC001192271284 1068906161 /nfs/dbraw/zinc/90/61/61/1068906161.db2.gz DEPBXSUZHXVPLE-SFHVURJKSA-N 1 2 456.590 -0.629 20 0 JBADLO NS(=O)(=O)[C@H]1CC[N@H+](CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)CCC4)CC2)C1 ZINC001192271284 1068906159 /nfs/dbraw/zinc/90/61/59/1068906159.db2.gz DEPBXSUZHXVPLE-SFHVURJKSA-N 1 2 456.590 -0.629 20 0 JBADLO COc1ccc(NC(=O)C[NH+]2CCC3(CC2)NC(=O)N(C)C3=O)cc1S(=O)(=O)N(C)C ZINC001192939905 1068909936 /nfs/dbraw/zinc/90/99/36/1068909936.db2.gz WMXYTBHXEQMLAJ-UHFFFAOYSA-N 1 2 453.521 -0.100 20 0 JBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1nnn(-c2ccccc2Cl)n1 ZINC001193061958 1068910520 /nfs/dbraw/zinc/91/05/20/1068910520.db2.gz QWWWNCVRALNJKX-ZFWWWQNUSA-N 1 2 457.882 -0.144 20 0 JBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1nnn(-c2ccccc2Cl)n1 ZINC001193061958 1068910508 /nfs/dbraw/zinc/91/05/08/1068910508.db2.gz QWWWNCVRALNJKX-ZFWWWQNUSA-N 1 2 457.882 -0.144 20 0 JBADLO Cc1oc(S(=O)(=O)N2CCCC2)cc1C(=O)N[C@@H](Cc1c[nH+]c[nH]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001193599987 1068916211 /nfs/dbraw/zinc/91/62/11/1068916211.db2.gz YJJQCJCIXLYOBJ-IRXDYDNUSA-N 1 2 492.558 -0.087 20 0 JBADLO Cc1oc(S(=O)(=O)N2CCCC2)cc1C(=O)N[C@@H](Cc1c[nH]c[nH+]1)C(=O)N1CCC[C@H]1C(N)=O ZINC001193599987 1068916208 /nfs/dbraw/zinc/91/62/08/1068916208.db2.gz YJJQCJCIXLYOBJ-IRXDYDNUSA-N 1 2 492.558 -0.087 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JBADLO COCCN(C)S(=O)(=O)[C@H]1CCC[N@@H+]([C@@H](C)C(=O)N2CCN(c3ncccn3)CC2)C1 ZINC001194000121 1068919327 /nfs/dbraw/zinc/91/93/27/1068919327.db2.gz UGTACIHFEVDRKM-ROUUACIJSA-N 1 2 454.597 -0.114 20 0 JBADLO COCCN(C)S(=O)(=O)[C@@H]1CCC[N@H+]([C@@H](C)C(=O)N2CCN(c3ncccn3)CC2)C1 ZINC001194000124 1068919191 /nfs/dbraw/zinc/91/91/91/1068919191.db2.gz UGTACIHFEVDRKM-ZWKOTPCHSA-N 1 2 454.597 -0.114 20 0 JBADLO COCCN(C)S(=O)(=O)[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)N2CCN(c3ncccn3)CC2)C1 ZINC001194000124 1068919186 /nfs/dbraw/zinc/91/91/86/1068919186.db2.gz UGTACIHFEVDRKM-ZWKOTPCHSA-N 1 2 454.597 -0.114 20 0 JBADLO COc1ccc(C(=O)N[C@@H](Cc2c[nH+]c[nH]2)C(=O)N2CCC[C@H]2C(N)=O)cc1S(C)(=O)=O ZINC001194259570 1068920762 /nfs/dbraw/zinc/92/07/62/1068920762.db2.gz XSLJDRSJVXQICX-GJZGRUSLSA-N 1 2 463.516 -0.361 20 0 JBADLO COc1ccc(C(=O)N[C@@H](Cc2c[nH]c[nH+]2)C(=O)N2CCC[C@H]2C(N)=O)cc1S(C)(=O)=O ZINC001194259570 1068920757 /nfs/dbraw/zinc/92/07/57/1068920757.db2.gz XSLJDRSJVXQICX-GJZGRUSLSA-N 1 2 463.516 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ZINC001209273246 1069494027 /nfs/dbraw/zinc/49/40/27/1069494027.db2.gz OYPSYROQYNLMIB-DCXXXQMHSA-N 1 2 452.552 -0.173 20 0 JBADLO CC1(C)O[C@H]([C@H](O)CO)[C@H](C[N@@H+]2Cc3nccn3C[C@@H](COCC(=O)N3CCCC3)C2)O1 ZINC001209273248 1069493926 /nfs/dbraw/zinc/49/39/26/1069493926.db2.gz OYPSYROQYNLMIB-TWFHAPMSSA-N 1 2 452.552 -0.173 20 0 JBADLO CC1(C)O[C@H]([C@H](O)CO)[C@H](C[N@H+]2Cc3nccn3C[C@@H](COCC(=O)N3CCCC3)C2)O1 ZINC001209273248 1069493922 /nfs/dbraw/zinc/49/39/22/1069493922.db2.gz OYPSYROQYNLMIB-TWFHAPMSSA-N 1 2 452.552 -0.173 20 0 JBADLO CC1(C)O[C@H]([C@H](O)CO)[C@H](C[N@H+]2CCCn3c(=O)cc(CNC(=O)c4ccco4)nc3C2)O1 ZINC001209273562 1069493907 /nfs/dbraw/zinc/49/39/07/1069493907.db2.gz RTWUUEPSNQKBGJ-OXFYSEKESA-N 1 2 462.503 -0.155 20 0 JBADLO CC1(C)O[C@H]([C@H](O)CO)[C@H](C[N@@H+]2CCCn3c(=O)cc(CNC(=O)c4ccco4)nc3C2)O1 ZINC001209273562 1069493899 /nfs/dbraw/zinc/49/38/99/1069493899.db2.gz RTWUUEPSNQKBGJ-OXFYSEKESA-N 1 2 462.503 -0.155 20 0 JBADLO CC1(C)O[C@H]([C@H](O)CO)[C@H](C[N@H+]2CCCn3c(=O)cc(CNC(=O)CC4CC4)nc3C2)O1 ZINC001209273589 1069494174 /nfs/dbraw/zinc/49/41/74/1069494174.db2.gz SEPNOPHWHHOMDC-LLGFUMIMSA-N 1 2 450.536 -0.261 20 0 JBADLO CC1(C)O[C@H]([C@H](O)CO)[C@H](C[N@@H+]2CCCn3c(=O)cc(CNC(=O)CC4CC4)nc3C2)O1 ZINC001209273589 1069494168 /nfs/dbraw/zinc/49/41/68/1069494168.db2.gz SEPNOPHWHHOMDC-LLGFUMIMSA-N 1 2 450.536 -0.261 20 0 JBADLO CC1(C)O[C@H]([C@H](O)CO)[C@H](C[N@H+]2C[C@H]3C[C@H]4[C@@](CN(Cc5ccncc5)S4(=O)=O)(C2)O3)O1 ZINC001209274047 1069494244 /nfs/dbraw/zinc/49/42/44/1069494244.db2.gz WXMRAMFXBVKSIY-SPGUCQGKSA-N 1 2 469.560 -0.688 20 0 JBADLO CC1(C)O[C@H]([C@H](O)CO)[C@H](C[N@@H+]2C[C@H]3C[C@H]4[C@@](CN(Cc5ccncc5)S4(=O)=O)(C2)O3)O1 ZINC001209274047 1069494237 /nfs/dbraw/zinc/49/42/37/1069494237.db2.gz WXMRAMFXBVKSIY-SPGUCQGKSA-N 1 2 469.560 -0.688 20 0 JBADLO CC(C)(C[NH+]1CCOCC1)NC(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC001211154311 1069497339 /nfs/dbraw/zinc/49/73/39/1069497339.db2.gz 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CC1=C(C(=O)O[C@@H]2CC[NH2+]CC(=O)C2)N2C(=O)[C@@H](NC(=O)[C@H](N)c3ccc(O)cc3)[C@H]2SC1 ZINC001218196733 1069505197 /nfs/dbraw/zinc/50/51/97/1069505197.db2.gz ZNWIEJKMKRWKMZ-BZLDKRAPSA-N 1 2 474.539 -0.070 20 0 JBADLO [NH3+]C[C@H]([NH3+])c1ccc(C(=O)Nc2ncnc3c2ncn3[C@@H]2O[C@@H]3CO[P@](=O)([O-])O[C@@H]3[C@@H]2O)cc1 ZINC001218632501 1069513473 /nfs/dbraw/zinc/51/34/73/1069513473.db2.gz MLOZWJSTTVPFOK-DMHNZYIASA-N 1 2 491.401 -0.189 20 0 JBADLO [NH3+]C[C@H]([NH3+])c1ccc(C(=O)Nc2ncnc3c2ncn3[C@@H]2O[C@@H]3CO[P@](=O)([O-])O[C@H]3[C@@H]2O)cc1 ZINC001218632502 1069513412 /nfs/dbraw/zinc/51/34/12/1069513412.db2.gz MLOZWJSTTVPFOK-UDQAOJSCSA-N 1 2 491.401 -0.189 20 0 JBADLO O=C(Nc1ncnc2c1c(I)cn2[C@H]1C[C@@H](O)[C@H](CO)O1)[C@@H]1COCC[NH2+]1 ZINC001218754121 1069519398 /nfs/dbraw/zinc/51/93/98/1069519398.db2.gz MVBLNWCIYRHWQF-WHOHXGKFSA-N 1 2 489.270 -0.397 20 0 JBADLO O=C(Nc1ncnc2c1c(I)cn2[C@H]1C[C@@H](O)[C@H](CO)O1)C1(F)C[NH2+]C1 ZINC001218754156 1069519379 /nfs/dbraw/zinc/51/93/79/1069519379.db2.gz OQBGMWZCZGWTQS-KXUCPTDWSA-N 1 2 477.234 -0.073 20 0 JBADLO COC(=O)[C@H]1C[C@H](C(=O)Nc2cc(Cl)c(S(N)(=O)=O)cc2S(N)(=O)=O)CC[NH2+]1 ZINC001218876783 1069526649 /nfs/dbraw/zinc/52/66/49/1069526649.db2.gz MVJGRCPLJNJGOV-GMSGAONNSA-N 1 2 454.914 -0.886 20 0 JBADLO COC(=O)[C@H]1C[C@@H](C(=O)Nc2cc(Cl)c(S(N)(=O)=O)cc2S(N)(=O)=O)CC[NH2+]1 ZINC001218876785 1069526728 /nfs/dbraw/zinc/52/67/28/1069526728.db2.gz MVJGRCPLJNJGOV-OIBJUYFYSA-N 1 2 454.914 -0.886 20 0 JBADLO COC(=O)[C@@H]1C[C@H](C(=O)Nc2cc(Cl)c(S(N)(=O)=O)cc2S(N)(=O)=O)CC[NH2+]1 ZINC001218876786 1069526775 /nfs/dbraw/zinc/52/67/75/1069526775.db2.gz MVJGRCPLJNJGOV-XCBNKYQSSA-N 1 2 454.914 -0.886 20 0 JBADLO COC(=O)[C@@H]1C[C@@H](C(=O)Nc2cc(Cl)c(S(N)(=O)=O)cc2S(N)(=O)=O)CC[NH2+]1 ZINC001218876788 1069527144 /nfs/dbraw/zinc/52/71/44/1069527144.db2.gz MVJGRCPLJNJGOV-XVKPBYJWSA-N 1 2 454.914 -0.886 20 0 JBADLO CCn1nnc2c1[C@@H](C(=O)n1ccnc(OC)c1=NS(=O)(=O)c1ccc(N)cc1)C[NH2+]C2 ZINC001218878411 1069527818 /nfs/dbraw/zinc/52/78/18/1069527818.db2.gz ULZKUCYTZJJPEE-AWEZNQCLSA-N 1 2 458.504 -0.098 20 0 JBADLO CCn1nnc2c1[C@H](C(=O)n1ccnc(OC)c1=NS(=O)(=O)c1ccc(N)cc1)C[NH2+]C2 ZINC001218878414 1069527829 /nfs/dbraw/zinc/52/78/29/1069527829.db2.gz ULZKUCYTZJJPEE-CQSZACIVSA-N 1 2 458.504 -0.098 20 0 JBADLO CCn1nnc2c1[C@H](C(=O)Nc1cc(Cl)c(S(N)(=O)=O)cc1S(N)(=O)=O)C[NH2+]C2 ZINC001218879089 1069528249 /nfs/dbraw/zinc/52/82/49/1069528249.db2.gz MVPWPKZFIQWDRV-SSDOTTSWSA-N 1 2 463.929 -0.928 20 0 JBADLO CCn1nnc2c1[C@@H](C(=O)Nc1cc(Cl)c(S(N)(=O)=O)cc1S(N)(=O)=O)C[NH2+]C2 ZINC001218879090 1069528223 /nfs/dbraw/zinc/52/82/23/1069528223.db2.gz MVPWPKZFIQWDRV-ZETCQYMHSA-N 1 2 463.929 -0.928 20 0 JBADLO COc1cc(N(C(=O)CN2CC[NH2+]CC2=O)S(=O)(=O)c2ccc(N)cc2)nc(OC)n1 ZINC001218920354 1069529544 /nfs/dbraw/zinc/52/95/44/1069529544.db2.gz YAADWFZEJAQEKQ-UHFFFAOYSA-N 1 2 450.477 -0.770 20 0 JBADLO C[C@H](NC(=O)[C@@H]1CCCN1C(=O)C[NH3+])C(=O)Nc1cccc2c(=O)cc(-c3nn[nH]n3)oc12 ZINC001218926927 1069530661 /nfs/dbraw/zinc/53/06/61/1069530661.db2.gz SMVLXAZUNMBUQA-GWCFXTLKSA-N 1 2 454.447 -0.634 20 0 JBADLO COc1ncnc(N(C(=O)CN2CC[NH2+]CC2=O)S(=O)(=O)c2ccc(N)cc2)c1OC ZINC001218961766 1069530724 /nfs/dbraw/zinc/53/07/24/1069530724.db2.gz BSUIQCYTFDHPEI-UHFFFAOYSA-N 1 2 450.477 -0.770 20 0 JBADLO CCOC(=O)CC[C@H](NC(=O)c1ccc(NC(=O)[C@@H]([NH3+])Cc2nn[nH]n2)cc1)C(=O)OCC ZINC001219205493 1069533263 /nfs/dbraw/zinc/53/32/63/1069533263.db2.gz GZLYUSHJUJBLQC-GJZGRUSLSA-N 1 2 461.479 -0.287 20 0 JBADLO O=C(CNC(=O)c1nc(Cl)c2ccccc2c1O)NCCS(=O)(=O)N1CC[NH2+]CC1 ZINC001219678677 1069537134 /nfs/dbraw/zinc/53/71/34/1069537134.db2.gz ZOAWZXRFTSGKIY-UHFFFAOYSA-N 1 2 455.924 -0.325 20 0 JBADLO COC(=O)[C@@H]1C[C@@H](NC(=O)[C@@H]2N3C(=O)[C@@H](NC(=O)Cc4ccccc4)[C@H]3SC2(C)C)C[NH2+]1 ZINC001219965391 1069543767 /nfs/dbraw/zinc/54/37/67/1069543767.db2.gz LQIVUWYBPQXFMI-BKFWEMOKSA-N 1 2 460.556 -0.204 20 0 JBADLO COC(=O)[C@@H]1C[C@@H](NC(=O)[C@@H]2CCCN2C(=O)CNS(=O)(=O)c2ccc(C)cc2)C[NH2+]1 ZINC001219965643 1069543965 /nfs/dbraw/zinc/54/39/65/1069543965.db2.gz VQNNMRBRMPZQDH-PVAVHDDUSA-N 1 2 452.533 -0.716 20 0 JBADLO COC(=O)[C@@H]1C[C@@H](NC(=O)c2ccc3nnc([C@H]4CN(C(=O)N(C)C)CCN4C)n3c2)C[NH2+]1 ZINC001219967876 1069543596 /nfs/dbraw/zinc/54/35/96/1069543596.db2.gz NFKIMSOEBOENMV-OWCLPIDISA-N 1 2 458.523 -0.667 20 0 JBADLO COC(=O)[C@@H]1C[C@@H](NC(=O)c2ccc3nnc([C@@H]4CN(C(=O)N(C)C)CCN4C)n3c2)C[NH2+]1 ZINC001219967877 1069543919 /nfs/dbraw/zinc/54/39/19/1069543919.db2.gz NFKIMSOEBOENMV-PMPSAXMXSA-N 1 2 458.523 -0.667 20 0 JBADLO COC(=O)[C@@H]1C[C@@H](NC(=O)c2ncn3c2CN(CC(=O)N(C)C)S(=O)(=O)c2ccccc2-3)C[NH2+]1 ZINC001219968034 1069543973 /nfs/dbraw/zinc/54/39/73/1069543973.db2.gz SYTVDFKHEXVAQN-KGLIPLIRSA-N 1 2 490.542 -0.902 20 0 JBADLO COC(=O)[C@@H]1C[C@@H](NC(=O)c2ccc3nnc([C@@H]4CN(c5ncccn5)CCN4C)n3c2)C[NH2+]1 ZINC001219968304 1069543795 /nfs/dbraw/zinc/54/37/95/1069543795.db2.gz ZCRSWTTUTDNEHA-IKGGRYGDSA-N 1 2 465.518 -0.354 20 0 JBADLO COC(=O)[C@@H]1C[C@@H](NC(=O)c2ccc3nnc([C@H]4CN(c5ncccn5)CCN4C)n3c2)C[NH2+]1 ZINC001219968305 1069544545 /nfs/dbraw/zinc/54/45/45/1069544545.db2.gz ZCRSWTTUTDNEHA-IXDOHACOSA-N 1 2 465.518 -0.354 20 0 JBADLO CCOC(=O)C1=C[C@@H](OC(CC)CC)[C@@H](NC(C)=O)[C@@H](NC(=O)CN2CC[NH2+]CC2=O)C1 ZINC001219986632 1069544457 /nfs/dbraw/zinc/54/44/57/1069544457.db2.gz FGIDSOKIFUPTPQ-UEXGIBASSA-N 1 2 452.552 -0.125 20 0 JBADLO CCOC(=O)C1=C[C@@H](OC(CC)CC)[C@H](NC(C)=O)[C@@H](NC(=O)CN2CC[NH2+]CC2=O)C1 ZINC001219986633 1069544535 /nfs/dbraw/zinc/54/45/35/1069544535.db2.gz FGIDSOKIFUPTPQ-WAOWUJCRSA-N 1 2 452.552 -0.125 20 0 JBADLO CCOC(=O)C1=C[C@@H](OC(CC)CC)[C@@H](NC(C)=O)[C@@H](NC(=O)[C@@H]([NH3+])Cc2nn[nH]n2)C1 ZINC001219986698 1069544514 /nfs/dbraw/zinc/54/45/14/1069544514.db2.gz GPURTBLFXLFBFK-CUSZFKRNSA-N 1 2 451.528 -0.474 20 0 JBADLO CCOC(=O)C1=C[C@@H](OC(CC)CC)[C@H](NC(C)=O)[C@@H](NC(=O)[C@@H]([NH3+])Cc2nn[nH]n2)C1 ZINC001219986699 1069544429 /nfs/dbraw/zinc/54/44/29/1069544429.db2.gz GPURTBLFXLFBFK-LISAXSMJSA-N 1 2 451.528 -0.474 20 0 JBADLO CC(C)[C@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@@H]1NCc3ccccc31)c(N)nc2=O ZINC001220122978 1069551000 /nfs/dbraw/zinc/55/10/00/1069551000.db2.gz QEAWZRQIWSINMW-BHYGNILZSA-N 1 2 499.528 -0.479 20 0 JBADLO CC(C)[C@@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@H]1NCc3ccccc31)c(N)nc2=O ZINC001220122979 1069550933 /nfs/dbraw/zinc/55/09/33/1069550933.db2.gz QEAWZRQIWSINMW-UAGQMJEPSA-N 1 2 499.528 -0.479 20 0 JBADLO CC(C)[C@@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@@H]1NCc3ccccc31)c(N)nc2=O ZINC001220122980 1069550781 /nfs/dbraw/zinc/55/07/81/1069550781.db2.gz QEAWZRQIWSINMW-USXIJHARSA-N 1 2 499.528 -0.479 20 0 JBADLO CC(C)[C@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@H]1NCc3ccccc31)c(N)nc2=O ZINC001220122981 1069550982 /nfs/dbraw/zinc/55/09/82/1069550982.db2.gz QEAWZRQIWSINMW-XIRDDKMYSA-N 1 2 499.528 -0.479 20 0 JBADLO CC(C)[C@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@@H]([NH3+])C1CCCCC1)c(N)nc2=O ZINC001220123175 1069552041 /nfs/dbraw/zinc/55/20/41/1069552041.db2.gz YJINZSJYFLGQSC-JYJNAYRXSA-N 1 2 493.565 -0.416 20 0 JBADLO CC(C)[C@@H]([NH3+])C(=O)OC[C@H](CO)OCn1cnc2c1n(C(=O)[C@@H]([NH3+])C1CCCCC1)c(N)nc2=O ZINC001220123176 1069552130 /nfs/dbraw/zinc/55/21/30/1069552130.db2.gz YJINZSJYFLGQSC-XHSDSOJGSA-N 1 2 493.565 -0.416 20 0 JBADLO CCOC(=O)[C@H](NC(=O)[C@@H]1C[NH2+]Cc2nnn(CC)c21)[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC001220282382 1069554401 /nfs/dbraw/zinc/55/44/01/1069554401.db2.gz JKGOCJIVMBKAHN-KYJSFNMBSA-N 1 2 465.532 -0.330 20 0 JBADLO CCOC(=O)[C@H](NC(=O)[C@H]1C[NH2+]Cc2nnn(CC)c21)[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC001220282386 1069554385 /nfs/dbraw/zinc/55/43/85/1069554385.db2.gz JKGOCJIVMBKAHN-LESCRADOSA-N 1 2 465.532 -0.330 20 0 JBADLO CCOC(=O)[C@H](NC(=O)[C@@H]1CC[NH2+][C@@H](C(=O)OC)C1)[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC001220284246 1069554864 /nfs/dbraw/zinc/55/48/64/1069554864.db2.gz KZUFCOSQXAGVAD-DZUCGIPZSA-N 1 2 456.517 -0.287 20 0 JBADLO CCOC(=O)[C@H](NC(=O)[C@H]1CC[NH2+][C@H](C(=O)OC)C1)[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC001220284247 1069554819 /nfs/dbraw/zinc/55/48/19/1069554819.db2.gz KZUFCOSQXAGVAD-LLLHUVSDSA-N 1 2 456.517 -0.287 20 0 JBADLO CCOC(=O)[C@H](NC(=O)[C@H]1CC[NH2+][C@@H](C(=O)OC)C1)[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC001220284248 1069554850 /nfs/dbraw/zinc/55/48/50/1069554850.db2.gz KZUFCOSQXAGVAD-SVGFKBNWSA-N 1 2 456.517 -0.287 20 0 JBADLO CCOC(=O)[C@H](NC(=O)[C@@H]1CC[NH2+][C@H](C(=O)OC)C1)[C@@H](O)c1ccc(S(C)(=O)=O)cc1 ZINC001220284249 1069554762 /nfs/dbraw/zinc/55/47/62/1069554762.db2.gz KZUFCOSQXAGVAD-XBVQOTNRSA-N 1 2 456.517 -0.287 20 0 JBADLO Cc1ccc(S(=O)(=O)n2cnc(C[C@@H]([NH3+])C(=O)Nc3[nH]c(=O)nc4[nH]c(=O)[nH]c43)c2)cc1 ZINC001220469036 1069557114 /nfs/dbraw/zinc/55/71/14/1069557114.db2.gz LZVWJYLFIKLKDT-GFCCVEGCSA-N 1 2 458.460 -0.034 20 0 JBADLO [NH3+]C1CCN(C(=O)c2ccc(C(=O)NCCC(=O)N[C@@H](Cc3c[nH+]c[nH]3)C(=O)[O-])cc2)CC1 ZINC001220550731 1069563903 /nfs/dbraw/zinc/56/39/03/1069563903.db2.gz HCNXFQJQBOPUQP-SFHVURJKSA-N 1 2 456.503 -0.095 20 0 JBADLO [NH3+]C1CCN(C(=O)c2ccc(C(=O)NCCC(=O)N[C@@H](Cc3c[nH]c[nH+]3)C(=O)[O-])cc2)CC1 ZINC001220550731 1069563898 /nfs/dbraw/zinc/56/38/98/1069563898.db2.gz HCNXFQJQBOPUQP-SFHVURJKSA-N 1 2 456.503 -0.095 20 0 JBADLO COc1ccc2c(C[C@H]([NH3+])C(=O)NCCC(=O)N[C@@H](Cc3c[nH]c[nH+]3)C(=O)[O-])cc(=O)oc2c1 ZINC001220550978 1069564719 /nfs/dbraw/zinc/56/47/19/1069564719.db2.gz NZSGEXUBEHPSDK-IRXDYDNUSA-N 1 2 471.470 -0.287 20 0 JBADLO O=C([O-])[C@H](Cc1c[nH]cn1)NC(=O)CCNC(=O)[C@H]1C[N@@H+](Cc2ccccc2)CC12C[NH2+]C2 ZINC001220551704 1069564514 /nfs/dbraw/zinc/56/45/14/1069564514.db2.gz WKKMIXNILMRPSR-MOPGFXCFSA-N 1 2 454.531 -0.251 20 0 JBADLO O=C([O-])[C@H](Cc1c[nH]cn1)NC(=O)CCNC(=O)[C@H]1C[N@H+](Cc2ccccc2)CC12C[NH2+]C2 ZINC001220551704 1069564504 /nfs/dbraw/zinc/56/45/04/1069564504.db2.gz WKKMIXNILMRPSR-MOPGFXCFSA-N 1 2 454.531 -0.251 20 0 JBADLO O=C([O-])[C@H](Cc1c[nH]cn1)NC(=O)CCNC(=O)[C@@H]1C[N@@H+](Cc2ccccc2)CC12C[NH2+]C2 ZINC001220551714 1069564661 /nfs/dbraw/zinc/56/46/61/1069564661.db2.gz WKKMIXNILMRPSR-OALUTQOASA-N 1 2 454.531 -0.251 20 0 JBADLO O=C([O-])[C@H](Cc1c[nH]cn1)NC(=O)CCNC(=O)[C@@H]1C[N@H+](Cc2ccccc2)CC12C[NH2+]C2 ZINC001220551714 1069564653 /nfs/dbraw/zinc/56/46/53/1069564653.db2.gz WKKMIXNILMRPSR-OALUTQOASA-N 1 2 454.531 -0.251 20 0 JBADLO CNC(=O)NC1CCN(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC001220577990 1069564580 /nfs/dbraw/zinc/56/45/80/1069564580.db2.gz LVUMPRNIVLXDPA-UHFFFAOYSA-N 1 2 453.569 -0.364 20 0 JBADLO C[C@H]1CN(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CCS(=O)(=O)C1 ZINC001220578158 1069564361 /nfs/dbraw/zinc/56/43/61/1069564361.db2.gz ROYDQPDQEHCILN-INIZCTEOSA-N 1 2 459.594 -0.391 20 0 JBADLO C[C@@H]1CN(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CCS(=O)(=O)C1 ZINC001220578159 1069565070 /nfs/dbraw/zinc/56/50/70/1069565070.db2.gz ROYDQPDQEHCILN-MRXNPFEDSA-N 1 2 459.594 -0.391 20 0 JBADLO CN(CC(=O)N1CCOCC1)C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001220578331 1069565383 /nfs/dbraw/zinc/56/53/83/1069565383.db2.gz XYJVRBDNDDITOQ-UHFFFAOYSA-N 1 2 454.553 -0.966 20 0 JBADLO C[C@]1(CO)CN(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@@]1(C)CO ZINC001220580187 1069565200 /nfs/dbraw/zinc/56/52/00/1069565200.db2.gz CQONZXCVYFEUHG-BGYRXZFFSA-N 1 2 455.581 -0.444 20 0 JBADLO COC(=O)[C@@H]1CN(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@@H](C)O1 ZINC001220580394 1069564993 /nfs/dbraw/zinc/56/49/93/1069564993.db2.gz LEYVUAIFTCDUON-CVEARBPZSA-N 1 2 455.537 -0.495 20 0 JBADLO COC(=O)[C@@H]1CN(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@H](C)O1 ZINC001220580395 1069565354 /nfs/dbraw/zinc/56/53/54/1069565354.db2.gz LEYVUAIFTCDUON-HOTGVXAUSA-N 1 2 455.537 -0.495 20 0 JBADLO C[C@@H]1CO[C@@H](C)C[N@H+]1CCNC(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC001220580498 1069565099 /nfs/dbraw/zinc/56/50/99/1069565099.db2.gz OMVSSZKRAZCHDL-MSOLQXFVSA-N 1 2 454.597 -0.058 20 0 JBADLO C[C@@H]1CO[C@@H](C)C[N@@H+]1CCNC(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC001220580498 1069565090 /nfs/dbraw/zinc/56/50/90/1069565090.db2.gz OMVSSZKRAZCHDL-MSOLQXFVSA-N 1 2 454.597 -0.058 20 0 JBADLO C[C@@H]1C[N@@H+](CCNC(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)[C@H](C)CO1 ZINC001220580499 1069565259 /nfs/dbraw/zinc/56/52/59/1069565259.db2.gz OMVSSZKRAZCHDL-QZTJIDSGSA-N 1 2 454.597 -0.058 20 0 JBADLO C[C@@H]1C[N@H+](CCNC(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)[C@H](C)CO1 ZINC001220580499 1069565250 /nfs/dbraw/zinc/56/52/50/1069565250.db2.gz OMVSSZKRAZCHDL-QZTJIDSGSA-N 1 2 454.597 -0.058 20 0 JBADLO C[C@H]1C[N@@H+](CCNC(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)[C@@H](C)CO1 ZINC001220580500 1069565368 /nfs/dbraw/zinc/56/53/68/1069565368.db2.gz OMVSSZKRAZCHDL-ROUUACIJSA-N 1 2 454.597 -0.058 20 0 JBADLO C[C@H]1C[N@H+](CCNC(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)[C@@H](C)CO1 ZINC001220580500 1069565363 /nfs/dbraw/zinc/56/53/63/1069565363.db2.gz OMVSSZKRAZCHDL-ROUUACIJSA-N 1 2 454.597 -0.058 20 0 JBADLO C[C@@H]1C[N@@H+](CCNC(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)[C@@H](C)CO1 ZINC001220580501 1069565022 /nfs/dbraw/zinc/56/50/22/1069565022.db2.gz OMVSSZKRAZCHDL-ZWKOTPCHSA-N 1 2 454.597 -0.058 20 0 JBADLO C[C@@H]1C[N@H+](CCNC(=O)NCCS(=O)(=O)N2CCN(c3ccccn3)CC2)[C@@H](C)CO1 ZINC001220580501 1069565013 /nfs/dbraw/zinc/56/50/13/1069565013.db2.gz OMVSSZKRAZCHDL-ZWKOTPCHSA-N 1 2 454.597 -0.058 20 0 JBADLO CC(C)(C)[C@H](O)C[C@@H](CO)NC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001220580514 1069565297 /nfs/dbraw/zinc/56/52/97/1069565297.db2.gz OZRIGSNYLLDBAN-DLBZAZTESA-N 1 2 457.597 -0.009 20 0 JBADLO CC(C)(C)[C@H](O)C[C@H](CO)NC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001220580515 1069565045 /nfs/dbraw/zinc/56/50/45/1069565045.db2.gz OZRIGSNYLLDBAN-IAGOWNOFSA-N 1 2 457.597 -0.009 20 0 JBADLO CC(C)(C)[C@@H](O)C[C@@H](CO)NC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001220580516 1069565182 /nfs/dbraw/zinc/56/51/82/1069565182.db2.gz OZRIGSNYLLDBAN-IRXDYDNUSA-N 1 2 457.597 -0.009 20 0 JBADLO CC(C)(C)[C@@H](O)C[C@H](CO)NC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001220580517 1069565391 /nfs/dbraw/zinc/56/53/91/1069565391.db2.gz OZRIGSNYLLDBAN-SJORKVTESA-N 1 2 457.597 -0.009 20 0 JBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)N[C@H]1CCN(C2CCC2)C1=O ZINC001220580714 1069565401 /nfs/dbraw/zinc/56/54/01/1069565401.db2.gz WFVMKGVPZDDCOS-KRWDZBQOSA-N 1 2 450.565 -0.014 20 0 JBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)N[C@@H]1CCN(C2CCC2)C1=O ZINC001220580715 1069565164 /nfs/dbraw/zinc/56/51/64/1069565164.db2.gz WFVMKGVPZDDCOS-QGZVFWFLSA-N 1 2 450.565 -0.014 20 0 JBADLO Cc1ccc(C(=O)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2NC(=O)C2(F)C[NH2+]C2)cc1 ZINC001220766559 1069570454 /nfs/dbraw/zinc/57/04/54/1069570454.db2.gz VGJSXXQIQXGMRQ-MWQQHZPXSA-N 1 2 462.434 -0.831 20 0 JBADLO Cc1ccc(C(=O)OC[C@H]2O[C@@H](n3ccc(=O)[nH]c3=O)[C@H](O)[C@@H]2NC(=O)c2n[nH]c3c2C[NH2+]C3)cc1 ZINC001220769069 1069571110 /nfs/dbraw/zinc/57/11/10/1069571110.db2.gz IACMSYXOXVVCRP-OBZYLPMUSA-N 1 2 496.480 -0.502 20 0 JBADLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 ZINC001220898146 1069574409 /nfs/dbraw/zinc/57/44/09/1069574409.db2.gz YXKGVYAAAWQWSH-HSZRJFAPSA-N 1 2 459.547 -0.326 20 0 JBADLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 ZINC001220898146 1069574403 /nfs/dbraw/zinc/57/44/03/1069574403.db2.gz YXKGVYAAAWQWSH-HSZRJFAPSA-N 1 2 459.547 -0.326 20 0 JBADLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 ZINC001220898147 1069574222 /nfs/dbraw/zinc/57/42/22/1069574222.db2.gz YXKGVYAAAWQWSH-QHCPKHFHSA-N 1 2 459.547 -0.326 20 0 JBADLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)NCc1ccc(C(=O)N2CCNC(=O)C2)cc1 ZINC001220898147 1069574214 /nfs/dbraw/zinc/57/42/14/1069574214.db2.gz YXKGVYAAAWQWSH-QHCPKHFHSA-N 1 2 459.547 -0.326 20 0 JBADLO CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@@H]1C[NH2+]CC(F)(F)C1)C(N)=O ZINC001221232937 1069581081 /nfs/dbraw/zinc/58/10/81/1069581081.db2.gz PJWVVBDMCHRWPN-IHRRRGAJSA-N 1 2 465.567 -0.399 20 0 JBADLO CSCC[C@H](NC(=O)[C@H](CC(C)C)NC(=O)CNC(=O)[C@H]1C[NH2+]CC(F)(F)C1)C(N)=O ZINC001221232938 1069581213 /nfs/dbraw/zinc/58/12/13/1069581213.db2.gz PJWVVBDMCHRWPN-RDBSUJKOSA-N 1 2 465.567 -0.399 20 0 JBADLO COc1cc(NC(=O)[C@@H]2CCCN2C(=O)CNC(=O)[C@@H]([NH3+])Cc2nn[nH]n2)cc2ccccc21 ZINC001221337894 1069586273 /nfs/dbraw/zinc/58/62/73/1069586273.db2.gz SGPFQYHZYHOILU-IRXDYDNUSA-N 1 2 466.502 -0.023 20 0 JBADLO NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1cnc[nH]1)NC(=O)[C@@H]([NH3+])CCc1cc(=O)oc2cc(O)ccc12 ZINC001221348458 1069586832 /nfs/dbraw/zinc/58/68/32/1069586832.db2.gz JPOWPUFKDGVYGV-FHWLQOOXSA-N 1 2 496.524 -0.315 20 0 JBADLO CS(=O)(=O)NC[C@@H]1COCCN1C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC001221484024 1069595380 /nfs/dbraw/zinc/59/53/80/1069595380.db2.gz OWOODGAJGCAKFZ-GOSISDBHSA-N 1 2 456.565 -0.143 20 0 JBADLO CS(=O)(=O)NC[C@H]1COCCN1C(=O)NCc1cccc(OCC[NH+]2CCOCC2)c1 ZINC001221484025 1069594955 /nfs/dbraw/zinc/59/49/55/1069594955.db2.gz OWOODGAJGCAKFZ-SFHVURJKSA-N 1 2 456.565 -0.143 20 0 JBADLO CNS(=O)(=O)NC1CCN(C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC001221554936 1069596131 /nfs/dbraw/zinc/59/61/31/1069596131.db2.gz OMEKOOFNBWEKGG-UHFFFAOYSA-N 1 2 453.569 -0.652 20 0 JBADLO CS(=O)(=O)N1CCN(CCNC(=O)N[C@@H](Cc2ccccc2)C[NH+]2CCOCC2)CC1 ZINC001221662985 1069596038 /nfs/dbraw/zinc/59/60/38/1069596038.db2.gz JEBNQMIWNCQQKQ-FQEVSTJZSA-N 1 2 453.609 -0.194 20 0 JBADLO CS(=O)(=O)N1CCN(CCNC(=O)N[C@H](Cc2ccccc2)C[NH+]2CCOCC2)CC1 ZINC001221662986 1069595916 /nfs/dbraw/zinc/59/59/16/1069595916.db2.gz JEBNQMIWNCQQKQ-HXUWFJFHSA-N 1 2 453.609 -0.194 20 0 JBADLO CCN(CC)S(=O)(=O)N1CCN(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CC1 ZINC001221798329 1069596902 /nfs/dbraw/zinc/59/69/02/1069596902.db2.gz FKULFPFNEGQJND-UHFFFAOYSA-N 1 2 453.631 -0.591 20 0 JBADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)NCC(=O)NCC(=O)NCc2ccccc2)CC1 ZINC001221798333 1069596951 /nfs/dbraw/zinc/59/69/51/1069596951.db2.gz FNNAOBDBVINYQM-UHFFFAOYSA-N 1 2 453.565 -0.773 20 0 JBADLO Cc1cc(NC(=O)CN2CCN(C(=O)NC3CC[NH+](CCS(C)(=O)=O)CC3)CC2)no1 ZINC001226786528 1069602754 /nfs/dbraw/zinc/60/27/54/1069602754.db2.gz URXTUCHZEMJJDF-UHFFFAOYSA-N 1 2 456.569 -0.242 20 0 JBADLO CC(=O)OC[C@H]1O[C@@H](n2cnc3c2ncnc3OC2C[NH+](C)C2)[C@H](OC(C)=O)[C@@H]1OC(C)=O ZINC001227665229 1069608299 /nfs/dbraw/zinc/60/82/99/1069608299.db2.gz WOGYIDRJJCDIGV-WVSUBDOOSA-N 1 2 463.447 -0.157 20 0 JBADLO CS(=O)(=O)N(c1ccc(OCCNC(=O)N[C@@H]2Cc3c[nH+]cn3C2)cc1)S(C)(=O)=O ZINC001230869340 1069616065 /nfs/dbraw/zinc/61/60/65/1069616065.db2.gz HOPKHHAVCKAWKM-CYBMUJFWSA-N 1 2 457.534 -0.088 20 0 JBADLO CS(=O)(=O)N(c1ccc(OCCNC(=O)N[C@H]2Cc3c[nH+]cn3C2)cc1)S(C)(=O)=O ZINC001230869343 1069615975 /nfs/dbraw/zinc/61/59/75/1069615975.db2.gz HOPKHHAVCKAWKM-ZDUSSCGKSA-N 1 2 457.534 -0.088 20 0 JBADLO Cn1cc(C[N@H+]2C[C@H]3C[C@H]4[C@@](CN(CCc5ccccc5)S4(=O)=O)(C2)O3)c(=O)n(C)c1=O ZINC001231767619 1069616058 /nfs/dbraw/zinc/61/60/58/1069616058.db2.gz JQSWNHVCVRKZAZ-DXIQSLLYSA-N 1 2 460.556 -0.316 20 0 JBADLO Cn1cc(C[N@@H+]2C[C@H]3C[C@H]4[C@@](CN(CCc5ccccc5)S4(=O)=O)(C2)O3)c(=O)n(C)c1=O ZINC001231767619 1069616053 /nfs/dbraw/zinc/61/60/53/1069616053.db2.gz JQSWNHVCVRKZAZ-DXIQSLLYSA-N 1 2 460.556 -0.316 20 0 JBADLO Cc1nn(C)c(N2CCOCC2)c1C[N@@H+]1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O ZINC001231835664 1069616980 /nfs/dbraw/zinc/61/69/80/1069616980.db2.gz NTNDNBQWLWYZOA-OALUTQOASA-N 1 2 477.610 -0.338 20 0 JBADLO Cc1nn(C)c(N2CCOCC2)c1C[N@H+]1CCC[C@H]1C(=O)N[C@@H](CC(C)C)C(=O)NCC(N)=O ZINC001231835664 1069616976 /nfs/dbraw/zinc/61/69/76/1069616976.db2.gz NTNDNBQWLWYZOA-OALUTQOASA-N 1 2 477.610 -0.338 20 0 JBADLO Cc1nn(C)c(N2CCOCC2)c1C[N@@H+]1CCOC[C@]2(CN(c3cnn(C)c3)C(=O)CO2)C1 ZINC001231836277 1069616857 /nfs/dbraw/zinc/61/68/57/1069616857.db2.gz OZNBHTKUAWNXSB-JOCHJYFZSA-N 1 2 459.551 -0.067 20 0 JBADLO Cc1nn(C)c(N2CCOCC2)c1C[N@H+]1CCOC[C@]2(CN(c3cnn(C)c3)C(=O)CO2)C1 ZINC001231836277 1069616848 /nfs/dbraw/zinc/61/68/48/1069616848.db2.gz OZNBHTKUAWNXSB-JOCHJYFZSA-N 1 2 459.551 -0.067 20 0 JBADLO Cc1nn(C)c(N2CCOCC2)c1C[N@@H+]1CCOC[C@@]2(CN(c3cnn(C)c3)C(=O)CO2)C1 ZINC001231836278 1069616961 /nfs/dbraw/zinc/61/69/61/1069616961.db2.gz OZNBHTKUAWNXSB-QFIPXVFZSA-N 1 2 459.551 -0.067 20 0 JBADLO Cc1nn(C)c(N2CCOCC2)c1C[N@H+]1CCOC[C@@]2(CN(c3cnn(C)c3)C(=O)CO2)C1 ZINC001231836278 1069616954 /nfs/dbraw/zinc/61/69/54/1069616954.db2.gz OZNBHTKUAWNXSB-QFIPXVFZSA-N 1 2 459.551 -0.067 20 0 JBADLO Cc1nn(C)c(N2CCOCC2)c1C[N@H+]1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@@H]2C(=O)N1CCOCC1 ZINC001231836426 1069617044 /nfs/dbraw/zinc/61/70/44/1069617044.db2.gz SLNWKONLYWNACF-DFQSSKMNSA-N 1 2 481.619 -0.341 20 0 JBADLO Cc1nn(C)c(N2CCOCC2)c1C[N@@H+]1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@@H]2C(=O)N1CCOCC1 ZINC001231836426 1069617038 /nfs/dbraw/zinc/61/70/38/1069617038.db2.gz SLNWKONLYWNACF-DFQSSKMNSA-N 1 2 481.619 -0.341 20 0 JBADLO Cc1nn(C)c(N2CCOCC2)c1C[N@H+]1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)N1CCOCC1 ZINC001231836428 1069616915 /nfs/dbraw/zinc/61/69/15/1069616915.db2.gz SLNWKONLYWNACF-MISYRCLQSA-N 1 2 481.619 -0.341 20 0 JBADLO Cc1nn(C)c(N2CCOCC2)c1C[N@@H+]1C[C@H]2[C@@H](C1)S(=O)(=O)CC[C@H]2C(=O)N1CCOCC1 ZINC001231836428 1069616907 /nfs/dbraw/zinc/61/69/07/1069616907.db2.gz SLNWKONLYWNACF-MISYRCLQSA-N 1 2 481.619 -0.341 20 0 JBADLO COc1ncnc(OC)c1C[N@H+]1CC[C@H]2N(S(C)(=O)=O)CC[C@@]2(C(=O)N2CCOCC2)CC1 ZINC001232514082 1069616751 /nfs/dbraw/zinc/61/67/51/1069616751.db2.gz LNLLJFGIPMQJIY-UTKZUKDTSA-N 1 2 483.591 -0.031 20 0 JBADLO COc1ncnc(OC)c1C[N@@H+]1CC[C@H]2N(S(C)(=O)=O)CC[C@@]2(C(=O)N2CCOCC2)CC1 ZINC001232514082 1069616745 /nfs/dbraw/zinc/61/67/45/1069616745.db2.gz LNLLJFGIPMQJIY-UTKZUKDTSA-N 1 2 483.591 -0.031 20 0 JBADLO COc1ccc(C[N@H+]2CC[C@]3(C2)CN(c2cnn(C)c2)C(=O)CN3C(C)=O)cc1S(N)(=O)=O ZINC001233302630 1069616704 /nfs/dbraw/zinc/61/67/04/1069616704.db2.gz UWEJXAUEVBUSGM-NRFANRHFSA-N 1 2 476.559 -0.084 20 0 JBADLO COc1ccc(C[N@@H+]2CC[C@]3(C2)CN(c2cnn(C)c2)C(=O)CN3C(C)=O)cc1S(N)(=O)=O ZINC001233302630 1069616682 /nfs/dbraw/zinc/61/66/82/1069616682.db2.gz UWEJXAUEVBUSGM-NRFANRHFSA-N 1 2 476.559 -0.084 20 0 JBADLO 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C[C@@H]1[C@H](C)OC[C@]12CC[C@H](CNC(=O)N1CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC1)O2 ZINC001255572764 1069715644 /nfs/dbraw/zinc/71/56/44/1069715644.db2.gz YOCKLSDCMMJVGH-AJYBTWMASA-N 1 2 459.613 -0.222 20 0 JBADLO C[C@@H]1OC[C@]2(CC[C@@H](CNC(=O)N3CCN(S(=O)(=O)N4CC[NH+](C)CC4)CC3)O2)[C@H]1C ZINC001255572766 1069715848 /nfs/dbraw/zinc/71/58/48/1069715848.db2.gz YOCKLSDCMMJVGH-CGBFIWBNSA-N 1 2 459.613 -0.222 20 0 JBADLO C[C@@H]1[C@H](C)OC[C@]12CC[C@@H](CNC(=O)N1CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC1)O2 ZINC001255572767 1069715552 /nfs/dbraw/zinc/71/55/52/1069715552.db2.gz YOCKLSDCMMJVGH-DOADOZAASA-N 1 2 459.613 -0.222 20 0 JBADLO C[C@@H]1OC[C@]2(CC[C@H](CNC(=O)N3CCN(S(=O)(=O)N4CC[NH+](C)CC4)CC3)O2)[C@H]1C ZINC001255572768 1069715925 /nfs/dbraw/zinc/71/59/25/1069715925.db2.gz YOCKLSDCMMJVGH-PNYFIKQUSA-N 1 2 459.613 -0.222 20 0 JBADLO C[C@@H](CS(=O)(=O)c1ccccc1)[NH2+][C@@H](C)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O ZINC001255813958 1069715905 /nfs/dbraw/zinc/71/59/05/1069715905.db2.gz UFWHENIXKWHUPG-FTRWYGJKSA-N 1 2 490.582 -0.139 20 0 JBADLO C[C@H](CS(=O)(=O)c1ccccc1)[NH2+][C@@H](C)C(=O)NCC(=O)N[C@@H](Cc1ccc(O)cc1)C(N)=O ZINC001255813961 1069715781 /nfs/dbraw/zinc/71/57/81/1069715781.db2.gz UFWHENIXKWHUPG-GUXCAODWSA-N 1 2 490.582 -0.139 20 0 JBADLO COC(=O)[C@H]1C[C@@H]([NH2+][C@@H](CO)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)CN1C(=O)OC(C)(C)C ZINC001256266971 1069720167 /nfs/dbraw/zinc/72/01/67/1069720167.db2.gz MFHNWORCMIITGK-VSZNYVQBSA-N 1 2 478.546 -0.299 20 0 JBADLO COC(=O)[C@H]1C[C@H]([NH2+][C@@H](CO)C(=O)N[C@@H](Cc2ccccc2)C(N)=O)CN1C(=O)OC(C)(C)C ZINC001256266972 1069720225 /nfs/dbraw/zinc/72/02/25/1069720225.db2.gz MFHNWORCMIITGK-XLAORIBOSA-N 1 2 478.546 -0.299 20 0 JBADLO C[C@H](CC(=O)N1CCOCC1)[N@H+]1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC001256336579 1069720942 /nfs/dbraw/zinc/72/09/42/1069720942.db2.gz RGFXXWBXOLOHNT-BPQIPLTHSA-N 1 2 465.576 -0.353 20 0 JBADLO C[C@H](CC(=O)N1CCOCC1)[N@@H+]1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC001256336579 1069720932 /nfs/dbraw/zinc/72/09/32/1069720932.db2.gz RGFXXWBXOLOHNT-BPQIPLTHSA-N 1 2 465.576 -0.353 20 0 JBADLO C[C@@H](CC(=O)N1CCOCC1)[N@H+]1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC001256336582 1069720763 /nfs/dbraw/zinc/72/07/63/1069720763.db2.gz RGFXXWBXOLOHNT-RYQLBKOJSA-N 1 2 465.576 -0.353 20 0 JBADLO C[C@@H](CC(=O)N1CCOCC1)[N@@H+]1C[C@@H]2c3nc(N4CCOCC4)ncc3CS(=O)(=O)[C@@H]2C1 ZINC001256336582 1069720754 /nfs/dbraw/zinc/72/07/54/1069720754.db2.gz RGFXXWBXOLOHNT-RYQLBKOJSA-N 1 2 465.576 -0.353 20 0 JBADLO CS(=O)(=O)N1CCC([N@H+]2C[C@H]3C[C@H]4[C@@](CN(Cc5ccncc5)S4(=O)=O)(C2)O3)CC1 ZINC001257233949 1069726093 /nfs/dbraw/zinc/72/60/93/1069726093.db2.gz KIWULPHNODFTJQ-QYZOEREBSA-N 1 2 456.590 -0.137 20 0 JBADLO CS(=O)(=O)N1CCC([N@@H+]2C[C@H]3C[C@H]4[C@@](CN(Cc5ccncc5)S4(=O)=O)(C2)O3)CC1 ZINC001257233949 1069726082 /nfs/dbraw/zinc/72/60/82/1069726082.db2.gz KIWULPHNODFTJQ-QYZOEREBSA-N 1 2 456.590 -0.137 20 0 JBADLO Cn1ccnc1C(=O)NCc1cc(=O)n2c(n1)C[N@@H+](C1CCN(S(C)(=O)=O)CC1)CCC2 ZINC001257237701 1069726338 /nfs/dbraw/zinc/72/63/38/1069726338.db2.gz IVPMYZYFIRPYRF-UHFFFAOYSA-N 1 2 463.564 -0.464 20 0 JBADLO Cn1ccnc1C(=O)NCc1cc(=O)n2c(n1)C[N@H+](C1CCN(S(C)(=O)=O)CC1)CCC2 ZINC001257237701 1069726328 /nfs/dbraw/zinc/72/63/28/1069726328.db2.gz IVPMYZYFIRPYRF-UHFFFAOYSA-N 1 2 463.564 -0.464 20 0 JBADLO COC(=O)CCS(=O)(=O)CC[C@H](C)N1CCc2c(C(=O)N3CC[NH+](C)CC3)nn(C)c2C1 ZINC001257935663 1069730729 /nfs/dbraw/zinc/73/07/29/1069730729.db2.gz QIWCXQSAEKFZCF-INIZCTEOSA-N 1 2 469.608 -0.078 20 0 JBADLO COC(=O)CCS(=O)(=O)CC[C@@H](C)N1CCc2c(C(=O)N3CC[NH+](C)CC3)nn(C)c2C1 ZINC001257935664 1069730711 /nfs/dbraw/zinc/73/07/11/1069730711.db2.gz QIWCXQSAEKFZCF-MRXNPFEDSA-N 1 2 469.608 -0.078 20 0 JBADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(S(=O)(=O)c1ccc(S(C)(=O)=O)cc1)CC2 ZINC001259142987 1069739090 /nfs/dbraw/zinc/73/90/90/1069739090.db2.gz SKNQLABZLZJVSN-UHFFFAOYSA-N 1 2 481.600 -0.042 20 0 JBADLO COC(=O)[C@H](Cc1c[nH+]cn1C)NS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC001259630379 1069751864 /nfs/dbraw/zinc/75/18/64/1069751864.db2.gz QYSBDFLDFZZUGY-KRWDZBQOSA-N 1 2 472.545 -0.496 20 0 JBADLO COC(=O)[C@@H](Cc1c[nH+]cn1C)NS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC001259630380 1069751711 /nfs/dbraw/zinc/75/17/11/1069751711.db2.gz QYSBDFLDFZZUGY-QGZVFWFLSA-N 1 2 472.545 -0.496 20 0 JBADLO COC(=O)[C@H](CCc1cn(C)c[nH+]1)NS(=O)(=O)c1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC001259630979 1069751901 /nfs/dbraw/zinc/75/19/01/1069751901.db2.gz RMVURVIYJQKXFD-SFHVURJKSA-N 1 2 486.572 -0.106 20 0 JBADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(S(=O)(=O)c1nc3nc(Cl)ccn3n1)CC2 ZINC001260170304 1069762316 /nfs/dbraw/zinc/76/23/16/1069762316.db2.gz OVPYXVSUTDLBCN-UHFFFAOYSA-N 1 2 479.954 -0.354 20 0 JBADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(S(=O)(=O)c1ccccc1S(C)(=O)=O)CC2 ZINC001260517156 1069767705 /nfs/dbraw/zinc/76/77/05/1069767705.db2.gz VCOMQRPBJFCNOF-UHFFFAOYSA-N 1 2 481.600 -0.042 20 0 JBADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(S(=O)(=O)c1cccc(S(C)(=O)=O)c1)CC2 ZINC001260601418 1069771953 /nfs/dbraw/zinc/77/19/53/1069771953.db2.gz OXNJVULTMXZTJW-UHFFFAOYSA-N 1 2 481.600 -0.042 20 0 JBADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(S(=O)(=O)c1ccc3[nH]c(=O)[nH]c(=O)c3c1)CC2 ZINC001260613457 1069773586 /nfs/dbraw/zinc/77/35/86/1069773586.db2.gz UMYGMEJAIZKLDE-UHFFFAOYSA-N 1 2 487.542 -0.091 20 0 JBADLO Cn1nc(C(=O)N2CC[NH+](C)CC2)c2c1CN(S(=O)(=O)c1ccc3c(c1)NC(=O)CO3)CC2 ZINC001260669831 1069775940 /nfs/dbraw/zinc/77/59/40/1069775940.db2.gz UBCOXJISRYRDAC-UHFFFAOYSA-N 1 2 474.543 -0.114 20 0 JBADLO CC(=O)Nc1ncc(S(=O)(=O)N2CCc3c(n(C)nc3C(=O)N3CC[NH+](C)CC3)C2)s1 ZINC001260702618 1069776809 /nfs/dbraw/zinc/77/68/09/1069776809.db2.gz ODOFKLZVCJPAAX-UHFFFAOYSA-N 1 2 467.577 -0.030 20 0 JBADLO CS(=O)(=O)N1CCN(c2ccc(NC(=O)[C@@H]3CC[C@H](C[NH+]4CCOCC4)O3)cn2)CC1 ZINC001265031453 1069782559 /nfs/dbraw/zinc/78/25/59/1069782559.db2.gz KOMCSICHMMRURY-MSOLQXFVSA-N 1 2 453.565 -0.019 20 0 JBADLO CC(=O)N1CC[C@H](CN(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](C)[NH+]2CCOCC2)C1 ZINC001286846485 1069805566 /nfs/dbraw/zinc/80/55/66/1069805566.db2.gz QKKRMVGSRNAKNP-JFIYKMOQSA-N 1 2 471.628 -0.086 20 0 JBADLO CC(=O)N1CC[C@H](CN(C)c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](C)[NH+]2CCOCC2)C1 ZINC001286846486 1069805762 /nfs/dbraw/zinc/80/57/62/1069805762.db2.gz QKKRMVGSRNAKNP-LZLYRXPVSA-N 1 2 471.628 -0.086 20 0 JBADLO CC(=O)N1CC[C@H](CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](C)[NH+]2CCOCC2)C1 ZINC001286846487 1069805341 /nfs/dbraw/zinc/80/53/41/1069805341.db2.gz QKKRMVGSRNAKNP-SOLBZPMBSA-N 1 2 471.628 -0.086 20 0 JBADLO CC(=O)N1CC[C@H](CN(C)c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](C)[NH+]2CCOCC2)C1 ZINC001286846488 1069805456 /nfs/dbraw/zinc/80/54/56/1069805456.db2.gz QKKRMVGSRNAKNP-XYJFISCASA-N 1 2 471.628 -0.086 20 0 JBADLO CC(=O)N1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2([NH+]3CCOCC3)CC2)[C@H](C)C1 ZINC001286868703 1069807267 /nfs/dbraw/zinc/80/72/67/1069807267.db2.gz BBSJWVLWTQACJT-CVEARBPZSA-N 1 2 469.612 -0.190 20 0 JBADLO CC(=O)N1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2([NH+]3CCOCC3)CC2)[C@@H](C)C1 ZINC001286868705 1069807601 /nfs/dbraw/zinc/80/76/01/1069807601.db2.gz BBSJWVLWTQACJT-HOTGVXAUSA-N 1 2 469.612 -0.190 20 0 JBADLO CC(=O)N1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2([NH+]3CCOCC3)CC2)[C@H](C)C1 ZINC001286868708 1069807741 /nfs/dbraw/zinc/80/77/41/1069807741.db2.gz BBSJWVLWTQACJT-HZPDHXFCSA-N 1 2 469.612 -0.190 20 0 JBADLO CC(=O)N1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2([NH+]3CCOCC3)CC2)[C@@H](C)C1 ZINC001286868710 1069807396 /nfs/dbraw/zinc/80/73/96/1069807396.db2.gz BBSJWVLWTQACJT-JKSUJKDBSA-N 1 2 469.612 -0.190 20 0 JBADLO CC(=O)N1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc[nH+]c2N2CCOCC2)CC1 ZINC001286869013 1069807845 /nfs/dbraw/zinc/80/78/45/1069807845.db2.gz CXMIDHIWUFGTIB-INIZCTEOSA-N 1 2 492.606 -0.163 20 0 JBADLO CC(=O)N1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc[nH+]c2N2CCOCC2)CC1 ZINC001286869020 1069807488 /nfs/dbraw/zinc/80/74/88/1069807488.db2.gz CXMIDHIWUFGTIB-MRXNPFEDSA-N 1 2 492.606 -0.163 20 0 JBADLO CC(=O)N1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](C)[NH+]2CCOCC2)[C@@H](C)C1 ZINC001286870440 1069808687 /nfs/dbraw/zinc/80/86/87/1069808687.db2.gz PERBTWDJJIWWJD-JYJNAYRXSA-N 1 2 457.601 -0.334 20 0 JBADLO CC(=O)N1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](C)[NH+]2CCOCC2)[C@H](C)C1 ZINC001286870441 1069808326 /nfs/dbraw/zinc/80/83/26/1069808326.db2.gz PERBTWDJJIWWJD-OAGGEKHMSA-N 1 2 457.601 -0.334 20 0 JBADLO CC(=O)N1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](C)[NH+]2CCOCC2)[C@@H](C)C1 ZINC001286870442 1069808205 /nfs/dbraw/zinc/80/82/05/1069808205.db2.gz PERBTWDJJIWWJD-PMPSAXMXSA-N 1 2 457.601 -0.334 20 0 JBADLO CC(=O)N1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](C)[NH+]2CCOCC2)[C@H](C)C1 ZINC001286870443 1069808392 /nfs/dbraw/zinc/80/83/92/1069808392.db2.gz PERBTWDJJIWWJD-XHSDSOJGSA-N 1 2 457.601 -0.334 20 0 JBADLO CC(=O)N1CC[NH+](CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)[C@@H]2CCSC2)CC1 ZINC001286888485 1069813095 /nfs/dbraw/zinc/81/30/95/1069813095.db2.gz AIAHOBDTJOTJTA-GDBMZVCRSA-N 1 2 459.642 -0.006 20 0 JBADLO CC(=O)N1CC[NH+](CCn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)[C@@H]2CCSC2)CC1 ZINC001286888486 1069812865 /nfs/dbraw/zinc/81/28/65/1069812865.db2.gz AIAHOBDTJOTJTA-GOEBONIOSA-N 1 2 459.642 -0.006 20 0 JBADLO CC(=O)N1CC[NH+](CCn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)[C@H]2CCSC2)CC1 ZINC001286888487 1069813464 /nfs/dbraw/zinc/81/34/64/1069813464.db2.gz AIAHOBDTJOTJTA-HOCLYGCPSA-N 1 2 459.642 -0.006 20 0 JBADLO CC(=O)N1CC[NH+](CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)[C@H]2CCSC2)CC1 ZINC001286888488 1069813198 /nfs/dbraw/zinc/81/31/98/1069813198.db2.gz AIAHOBDTJOTJTA-ZBFHGGJFSA-N 1 2 459.642 -0.006 20 0 JBADLO CC(=O)N1CC[NH+](CCn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)Cc2cnn(C)c2)CC1 ZINC001286888531 1069813630 /nfs/dbraw/zinc/81/36/30/1069813630.db2.gz BJXUTLVIYJEXRJ-HNNXBMFYSA-N 1 2 467.600 -0.578 20 0 JBADLO CC(=O)N1CC[NH+](CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)Cc2cnn(C)c2)CC1 ZINC001286888532 1069813403 /nfs/dbraw/zinc/81/34/03/1069813403.db2.gz BJXUTLVIYJEXRJ-OAHLLOKOSA-N 1 2 467.600 -0.578 20 0 JBADLO CC(=O)N1CCN(c2nnc(Cn3nc(C)cc3C)n2CC[NH+]2CCN(C(C)=O)CC2)CC1 ZINC001286888916 1069814342 /nfs/dbraw/zinc/81/43/42/1069814342.db2.gz BYIVGNHYXHLFDS-UHFFFAOYSA-N 1 2 457.583 -0.028 20 0 JBADLO CC(=O)N1CC[NH+](CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@H](N3CCCC3=O)C2)CC1 ZINC001286889262 1069814589 /nfs/dbraw/zinc/81/45/89/1069814589.db2.gz HVVUCXASCZZODS-AEFFLSMTSA-N 1 2 496.638 -0.747 20 0 JBADLO CC(=O)N1CC[NH+](CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@@H](N3CCCC3=O)C2)CC1 ZINC001286889263 1069814141 /nfs/dbraw/zinc/81/41/41/1069814141.db2.gz HVVUCXASCZZODS-FUHWJXTLSA-N 1 2 496.638 -0.747 20 0 JBADLO CC(=O)N1CC[NH+](CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@@H](N3CCCC3=O)C2)CC1 ZINC001286889264 1069814037 /nfs/dbraw/zinc/81/40/37/1069814037.db2.gz HVVUCXASCZZODS-SJLPKXTDSA-N 1 2 496.638 -0.747 20 0 JBADLO CC(=O)N1CC[NH+](CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@H](N3CCCC3=O)C2)CC1 ZINC001286889265 1069814640 /nfs/dbraw/zinc/81/46/40/1069814640.db2.gz HVVUCXASCZZODS-WMZOPIPTSA-N 1 2 496.638 -0.747 20 0 JBADLO CC(=O)N1CCN(CCn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[NH+](C(C)C)CC2)CC1 ZINC001286889391 1069814238 /nfs/dbraw/zinc/81/42/38/1069814238.db2.gz FLIRJJJVIAXWAX-IBGZPJMESA-N 1 2 467.640 -0.125 20 0 JBADLO CC(=O)N1CCN(CCn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[NH+](C(C)C)CC2)CC1 ZINC001286889392 1069814510 /nfs/dbraw/zinc/81/45/10/1069814510.db2.gz FLIRJJJVIAXWAX-LJQANCHMSA-N 1 2 467.640 -0.125 20 0 JBADLO CC(=O)N1CC[NH+](CCn2c(N3CCNC(=O)CC3)nnc2[C@@]2(OC(C)C)CCOC2)CC1 ZINC001286889478 1069813920 /nfs/dbraw/zinc/81/39/20/1069813920.db2.gz JEHWPXVSMMLJEV-JOCHJYFZSA-N 1 2 463.583 -0.191 20 0 JBADLO CC(=O)N1CC[NH+](CCn2c(N3CCNC(=O)CC3)nnc2[C@]2(OC(C)C)CCOC2)CC1 ZINC001286889479 1069814440 /nfs/dbraw/zinc/81/44/40/1069814440.db2.gz JEHWPXVSMMLJEV-QFIPXVFZSA-N 1 2 463.583 -0.191 20 0 JBADLO CC(=O)N1CC[NH+](CCn2c(CN3CCCC3=O)nnc2N2CCCN(C(C)=O)CC2)CC1 ZINC001286889515 1069814088 /nfs/dbraw/zinc/81/40/88/1069814088.db2.gz KJEZAHODTRSVRU-UHFFFAOYSA-N 1 2 460.583 -0.377 20 0 JBADLO CC(=O)N1CC[NH+](CCn2c(Cc3ccncc3)nnc2N2CCCN(S(C)(=O)=O)CC2)CC1 ZINC001286889630 1069813964 /nfs/dbraw/zinc/81/39/64/1069813964.db2.gz IMVNFXWWIGSYEZ-UHFFFAOYSA-N 1 2 490.634 -0.100 20 0 JBADLO CC(=O)N1CC[NH+](CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@@H]2CCOC2)CC1 ZINC001286889707 1069814397 /nfs/dbraw/zinc/81/43/97/1069814397.db2.gz JNJHARNUYHFAMT-MSOLQXFVSA-N 1 2 485.611 -1.000 20 0 JBADLO CC(=O)N1CC[NH+](CCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@@H]2CCOC2)CC1 ZINC001286889708 1069814190 /nfs/dbraw/zinc/81/41/90/1069814190.db2.gz JNJHARNUYHFAMT-QZTJIDSGSA-N 1 2 485.611 -1.000 20 0 JBADLO CC(=O)N1CC[NH+](CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@H]2CCOC2)CC1 ZINC001286889709 1069814475 /nfs/dbraw/zinc/81/44/75/1069814475.db2.gz JNJHARNUYHFAMT-ROUUACIJSA-N 1 2 485.611 -1.000 20 0 JBADLO CC(=O)N1CC[NH+](CCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)[C@H]2CCOC2)CC1 ZINC001286889710 1069814548 /nfs/dbraw/zinc/81/45/48/1069814548.db2.gz JNJHARNUYHFAMT-ZWKOTPCHSA-N 1 2 485.611 -1.000 20 0 JBADLO CC(=O)N1CC[NH+](CCn2c(CNC(=O)c3cccs3)nnc2N2CCN(C)C(=O)C2)CC1 ZINC001286889872 1069815033 /nfs/dbraw/zinc/81/50/33/1069815033.db2.gz MDSBPBHDKRLTKR-UHFFFAOYSA-N 1 2 474.591 -0.288 20 0 JBADLO CC(=O)N1CC[NH+](CCn2c([C@@H]3CCOC3)nnc2N2CCN(S(C)(=O)=O)[C@@H](C)C2)CC1 ZINC001286890044 1069815403 /nfs/dbraw/zinc/81/54/03/1069815403.db2.gz NTZRWNRHTDTUJA-FUHWJXTLSA-N 1 2 469.612 -0.584 20 0 JBADLO CC(=O)N1CC[NH+](CCn2c([C@H]3CCOC3)nnc2N2CCN(S(C)(=O)=O)[C@@H](C)C2)CC1 ZINC001286890045 1069814912 /nfs/dbraw/zinc/81/49/12/1069814912.db2.gz NTZRWNRHTDTUJA-WMZOPIPTSA-N 1 2 469.612 -0.584 20 0 JBADLO CC(=O)N1CC[NH+](CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@@H]([C@@H]3CCOC3)C2)CC1 ZINC001286890134 1069815367 /nfs/dbraw/zinc/81/53/67/1069815367.db2.gz OGUUPJCTOINVPQ-QXAKKESOSA-N 1 2 483.639 -0.085 20 0 JBADLO CC(=O)N1CC[NH+](CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@@H]([C@H]3CCOC3)C2)CC1 ZINC001286890137 1069815461 /nfs/dbraw/zinc/81/54/61/1069815461.db2.gz OGUUPJCTOINVPQ-UHOSZYNNSA-N 1 2 483.639 -0.085 20 0 JBADLO CC(=O)N1CC[NH+](CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@H]([C@H]3CCOC3)C2)CC1 ZINC001286890140 1069815507 /nfs/dbraw/zinc/81/55/07/1069815507.db2.gz OGUUPJCTOINVPQ-WDSOQIARSA-N 1 2 483.639 -0.085 20 0 JBADLO CC(=O)N1CC[NH+](CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@H]([C@@H]3CCOC3)C2)CC1 ZINC001286890142 1069814951 /nfs/dbraw/zinc/81/49/51/1069814951.db2.gz OGUUPJCTOINVPQ-YTQUADARSA-N 1 2 483.639 -0.085 20 0 JBADLO CC(=O)N1CC[NH+](CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)CCC(F)F)CC1 ZINC001286890444 1069815112 /nfs/dbraw/zinc/81/51/12/1069815112.db2.gz QKXCHUUEZXQSPT-INIZCTEOSA-N 1 2 493.581 -0.134 20 0 JBADLO CC(=O)N1CC[NH+](CCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)CCC(F)F)CC1 ZINC001286890449 1069815243 /nfs/dbraw/zinc/81/52/43/1069815243.db2.gz QKXCHUUEZXQSPT-MRXNPFEDSA-N 1 2 493.581 -0.134 20 0 JBADLO CC(=O)N1CC[NH+](CCn2c([C@H]3CCOC3)nnc2N2CCN(CC(=O)N(C)C)CC2)CC1 ZINC001286890561 1069815066 /nfs/dbraw/zinc/81/50/66/1069815066.db2.gz RUDIWMSDSUFBQN-IBGZPJMESA-N 1 2 462.599 -0.844 20 0 JBADLO CC(=O)N1CC[NH+](CCn2c([C@@H]3CCOC3)nnc2N2CCN(CC(=O)N(C)C)CC2)CC1 ZINC001286890567 1069815286 /nfs/dbraw/zinc/81/52/86/1069815286.db2.gz RUDIWMSDSUFBQN-LJQANCHMSA-N 1 2 462.599 -0.844 20 0 JBADLO CC(=O)N1CC[NH+](CCn2c(C(C)C)nnc2N2CCN(C(=O)C(=O)NC3CC3)CC2)CC1 ZINC001286890825 1069814996 /nfs/dbraw/zinc/81/49/96/1069814996.db2.gz ROURELRYTHJFNI-UHFFFAOYSA-N 1 2 460.583 -0.507 20 0 JBADLO CC(=O)N1CC[NH+](CCn2c(Cc3ccccn3)nnc2N2CCN(CC(=O)N(C)C)CC2)CC1 ZINC001286890950 1069815848 /nfs/dbraw/zinc/81/58/48/1069815848.db2.gz VFQLBEAVXXJWEM-UHFFFAOYSA-N 1 2 483.621 -0.362 20 0 JBADLO CC(=O)N1CC[NH+](CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(CC(C)C)C(=O)C2)CC1 ZINC001286891155 1069816575 /nfs/dbraw/zinc/81/65/75/1069816575.db2.gz VPOZTTLWHBLDLI-KRWDZBQOSA-N 1 2 498.654 -0.643 20 0 JBADLO CC(=O)N1CC[NH+](CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(CC(C)C)C(=O)C2)CC1 ZINC001286891160 1069816465 /nfs/dbraw/zinc/81/64/65/1069816465.db2.gz VPOZTTLWHBLDLI-QGZVFWFLSA-N 1 2 498.654 -0.643 20 0 JBADLO CC(=O)NC[C@H]1CN(c2nnc(Cc3ccccn3)n2CC[NH+]2CCN(C(C)=O)CC2)CCO1 ZINC001286945490 1069822851 /nfs/dbraw/zinc/82/28/51/1069822851.db2.gz IFZALNQDDZNQCY-NRFANRHFSA-N 1 2 470.578 -0.231 20 0 JBADLO CC(=O)NC[C@@H]1CN(c2nnc(Cc3ccccn3)n2CC[NH+]2CCN(C(C)=O)CC2)CCO1 ZINC001286945492 1069822531 /nfs/dbraw/zinc/82/25/31/1069822531.db2.gz IFZALNQDDZNQCY-OAQYLSRUSA-N 1 2 470.578 -0.231 20 0 JBADLO CC(=O)NCCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001286953020 1069825851 /nfs/dbraw/zinc/82/58/51/1069825851.db2.gz VFNTUXLCAJSOIX-GOSISDBHSA-N 1 2 492.606 -0.141 20 0 JBADLO CC(=O)NCCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001286953021 1069825733 /nfs/dbraw/zinc/82/57/33/1069825733.db2.gz VFNTUXLCAJSOIX-SFHVURJKSA-N 1 2 492.606 -0.141 20 0 JBADLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(c2nnc(-c3ccc[nH]3)n2CCS(=O)(=O)N(C)C)CC1 ZINC001286972445 1069826354 /nfs/dbraw/zinc/82/63/54/1069826354.db2.gz HULYEYYFOMLYEK-HNNXBMFYSA-N 1 2 464.596 -0.046 20 0 JBADLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(c2nnc(-c3ccc[nH]3)n2CCS(=O)(=O)N(C)C)CC1 ZINC001286972446 1069826459 /nfs/dbraw/zinc/82/64/59/1069826459.db2.gz HULYEYYFOMLYEK-OAHLLOKOSA-N 1 2 464.596 -0.046 20 0 JBADLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(c2nnc([C@H]3CCOC3)n2CCS(=O)(=O)N(C)C)CC1 ZINC001286972582 1069826806 /nfs/dbraw/zinc/82/68/06/1069826806.db2.gz TYUHNUQJIKMBPI-MSOLQXFVSA-N 1 2 483.639 -0.194 20 0 JBADLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(c2nnc([C@@H]3CCOC3)n2CCS(=O)(=O)N(C)C)CC1 ZINC001286972585 1069827325 /nfs/dbraw/zinc/82/73/25/1069827325.db2.gz TYUHNUQJIKMBPI-QZTJIDSGSA-N 1 2 483.639 -0.194 20 0 JBADLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(c2nnc([C@H]3CCOC3)n2CCS(=O)(=O)N(C)C)CC1 ZINC001286972587 1069827372 /nfs/dbraw/zinc/82/73/72/1069827372.db2.gz TYUHNUQJIKMBPI-ROUUACIJSA-N 1 2 483.639 -0.194 20 0 JBADLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(c2nnc([C@@H]3CCOC3)n2CCS(=O)(=O)N(C)C)CC1 ZINC001286972589 1069827666 /nfs/dbraw/zinc/82/76/66/1069827666.db2.gz TYUHNUQJIKMBPI-ZWKOTPCHSA-N 1 2 483.639 -0.194 20 0 JBADLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCOCCCO)CC1 ZINC001286972996 1069827530 /nfs/dbraw/zinc/82/75/30/1069827530.db2.gz YJVNZAPDNFNNIZ-MSOLQXFVSA-N 1 2 463.583 -0.239 20 0 JBADLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCOCCCO)CC1 ZINC001286972997 1069827202 /nfs/dbraw/zinc/82/72/02/1069827202.db2.gz YJVNZAPDNFNNIZ-QZTJIDSGSA-N 1 2 463.583 -0.239 20 0 JBADLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CCOCCCO)CC1 ZINC001286972998 1069827448 /nfs/dbraw/zinc/82/74/48/1069827448.db2.gz YJVNZAPDNFNNIZ-ROUUACIJSA-N 1 2 463.583 -0.239 20 0 JBADLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CCOCCCO)CC1 ZINC001286972999 1069827116 /nfs/dbraw/zinc/82/71/16/1069827116.db2.gz YJVNZAPDNFNNIZ-ZWKOTPCHSA-N 1 2 463.583 -0.239 20 0 JBADLO CC(C)(Cn1c(C(=O)N2CCCC2)nnc1N1CCN(S(C)(=O)=O)CC1)[NH+]1CCOCC1 ZINC001287090935 1069830457 /nfs/dbraw/zinc/83/04/57/1069830457.db2.gz LWFITBCVNJZTCR-UHFFFAOYSA-N 1 2 469.612 -0.294 20 0 JBADLO CC(C)(Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C(N)=O)CC1)[NH+]1CCOCC1 ZINC001287094238 1069830251 /nfs/dbraw/zinc/83/02/51/1069830251.db2.gz MVGNQPMNYCPWAM-KRWDZBQOSA-N 1 2 499.638 -0.577 20 0 JBADLO CC(C)(Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(C(N)=O)CC1)[NH+]1CCOCC1 ZINC001287094239 1069830933 /nfs/dbraw/zinc/83/09/33/1069830933.db2.gz MVGNQPMNYCPWAM-QGZVFWFLSA-N 1 2 499.638 -0.577 20 0 JBADLO CC(C)[NH+]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001288003825 1069840343 /nfs/dbraw/zinc/84/03/43/1069840343.db2.gz DJFJGZFWBVUERV-DLBZAZTESA-N 1 2 490.652 -0.424 20 0 JBADLO CC(C)[NH+]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCS(=O)(=O)C2)CC1 ZINC001288003827 1069840400 /nfs/dbraw/zinc/84/04/00/1069840400.db2.gz DJFJGZFWBVUERV-IAGOWNOFSA-N 1 2 490.652 -0.424 20 0 JBADLO CC(C)[NH+]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001288003830 1069840637 /nfs/dbraw/zinc/84/06/37/1069840637.db2.gz DJFJGZFWBVUERV-IRXDYDNUSA-N 1 2 490.652 -0.424 20 0 JBADLO CC(C)[NH+]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H]2CCS(=O)(=O)C2)CC1 ZINC001288003833 1069840494 /nfs/dbraw/zinc/84/04/94/1069840494.db2.gz DJFJGZFWBVUERV-SJORKVTESA-N 1 2 490.652 -0.424 20 0 JBADLO CC(C)NC(=O)c1nnc(N(C)CC(=O)N2CCOCC2)n1Cc1ccc[nH+]c1N1CCOCC1 ZINC001288034196 1069844579 /nfs/dbraw/zinc/84/45/79/1069844579.db2.gz TWOXIJQXHNCEFE-UHFFFAOYSA-N 1 2 486.577 -0.009 20 0 JBADLO CC(C)NC(=O)c1nnc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)n1CCNS(C)(=O)=O ZINC001288152934 1069849553 /nfs/dbraw/zinc/84/95/53/1069849553.db2.gz IJGZUEKKOVNQAP-INIZCTEOSA-N 1 2 484.627 -0.902 20 0 JBADLO CC(C)NC(=O)c1nnc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)n1CCNS(C)(=O)=O ZINC001288152935 1069849310 /nfs/dbraw/zinc/84/93/10/1069849310.db2.gz IJGZUEKKOVNQAP-MRXNPFEDSA-N 1 2 484.627 -0.902 20 0 JBADLO CC(C)NC(=O)c1nnc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)n1CCCNS(C)(=O)=O ZINC001288154159 1069849450 /nfs/dbraw/zinc/84/94/50/1069849450.db2.gz ZBQMKGHEBCWOCG-KRWDZBQOSA-N 1 2 498.654 -0.512 20 0 JBADLO CC(C)NC(=O)c1nnc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)n1CCCNS(C)(=O)=O ZINC001288154160 1069849094 /nfs/dbraw/zinc/84/90/94/1069849094.db2.gz ZBQMKGHEBCWOCG-QGZVFWFLSA-N 1 2 498.654 -0.512 20 0 JBADLO CC(C)NC(=O)c1nnc(N2CCN(CC(=O)NC3CC3)CC2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001288159371 1069850173 /nfs/dbraw/zinc/85/01/73/1069850173.db2.gz CWEWEUSQEIFUOT-UHFFFAOYSA-N 1 2 476.626 -0.072 20 0 JBADLO CC(C)NC(=O)c1nnc(N2CCN(CC(=O)N(C)C)CC2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001288160790 1069850089 /nfs/dbraw/zinc/85/00/89/1069850089.db2.gz VCPLSCMPERFPIN-UHFFFAOYSA-N 1 2 464.615 -0.263 20 0 JBADLO CC(C)NC(=O)c1nnc(N2CCN(CC(=O)N(C)C)CC2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001288160790 1069850071 /nfs/dbraw/zinc/85/00/71/1069850071.db2.gz VCPLSCMPERFPIN-UHFFFAOYSA-N 1 2 464.615 -0.263 20 0 JBADLO CC(C)NC(=O)c1nnc(N2CCN(CC(=O)NC3CC3)CC2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001288161297 1069850877 /nfs/dbraw/zinc/85/08/77/1069850877.db2.gz FFUUFJDKJQOOFU-UHFFFAOYSA-N 1 2 476.626 -0.072 20 0 JBADLO CC(C)NC(=O)c1nnc(N2CCN(CC(=O)NC3CC3)CC2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001288161297 1069850862 /nfs/dbraw/zinc/85/08/62/1069850862.db2.gz FFUUFJDKJQOOFU-UHFFFAOYSA-N 1 2 476.626 -0.072 20 0 JBADLO CC(C)NC(=O)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1([NH+]2CCOCC2)CC1 ZINC001288221343 1069856118 /nfs/dbraw/zinc/85/61/18/1069856118.db2.gz UWYXAPCQLUICNP-KRWDZBQOSA-N 1 2 499.638 -0.563 20 0 JBADLO CC(C)NC(=O)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1([NH+]2CCOCC2)CC1 ZINC001288221344 1069856861 /nfs/dbraw/zinc/85/68/61/1069856861.db2.gz UWYXAPCQLUICNP-QGZVFWFLSA-N 1 2 499.638 -0.563 20 0 JBADLO CC(C)NC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001288242901 1069857480 /nfs/dbraw/zinc/85/74/80/1069857480.db2.gz XRKAUXFPLHFWAF-KRWDZBQOSA-N 1 2 492.606 -0.143 20 0 JBADLO CC(C)NC(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001288242902 1069857703 /nfs/dbraw/zinc/85/77/03/1069857703.db2.gz XRKAUXFPLHFWAF-QGZVFWFLSA-N 1 2 492.606 -0.143 20 0 JBADLO C[C@H](CC(N)=O)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001288549286 1069867333 /nfs/dbraw/zinc/86/73/33/1069867333.db2.gz OENQXQBZFHLEJX-GDBMZVCRSA-N 1 2 480.595 -0.180 20 0 JBADLO C[C@@H](CC(N)=O)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001288549287 1069867154 /nfs/dbraw/zinc/86/71/54/1069867154.db2.gz OENQXQBZFHLEJX-GOEBONIOSA-N 1 2 480.595 -0.180 20 0 JBADLO C[C@@H](CC(N)=O)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001288549288 1069867265 /nfs/dbraw/zinc/86/72/65/1069867265.db2.gz OENQXQBZFHLEJX-HOCLYGCPSA-N 1 2 480.595 -0.180 20 0 JBADLO C[C@H](CC(N)=O)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001288549289 1069866896 /nfs/dbraw/zinc/86/68/96/1069866896.db2.gz OENQXQBZFHLEJX-ZBFHGGJFSA-N 1 2 480.595 -0.180 20 0 JBADLO C[C@@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCOCC1)[NH+]1CCOCC1 ZINC001288651872 1069868172 /nfs/dbraw/zinc/86/81/72/1069868172.db2.gz LZNIRHLKVLILPK-DLBZAZTESA-N 1 2 458.585 -0.442 20 0 JBADLO C[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCOCC1)[NH+]1CCOCC1 ZINC001288651873 1069867698 /nfs/dbraw/zinc/86/76/98/1069867698.db2.gz LZNIRHLKVLILPK-IAGOWNOFSA-N 1 2 458.585 -0.442 20 0 JBADLO C[C@@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCOCC1)[NH+]1CCOCC1 ZINC001288651874 1069867979 /nfs/dbraw/zinc/86/79/79/1069867979.db2.gz LZNIRHLKVLILPK-IRXDYDNUSA-N 1 2 458.585 -0.442 20 0 JBADLO C[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCOCC1)[NH+]1CCOCC1 ZINC001288651875 1069868138 /nfs/dbraw/zinc/86/81/38/1069868138.db2.gz LZNIRHLKVLILPK-SJORKVTESA-N 1 2 458.585 -0.442 20 0 JBADLO C[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CCC(CNS(C)(=O)=O)CC1)[NH+]1CCOCC1 ZINC001288673123 1069868637 /nfs/dbraw/zinc/86/86/37/1069868637.db2.gz KKTDZXFGGJCVRK-KRWDZBQOSA-N 1 2 483.639 -0.113 20 0 JBADLO C[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCC(CNS(C)(=O)=O)CC1)[NH+]1CCOCC1 ZINC001288673124 1069868807 /nfs/dbraw/zinc/86/88/07/1069868807.db2.gz KKTDZXFGGJCVRK-QGZVFWFLSA-N 1 2 483.639 -0.113 20 0 JBADLO C[C@H](Cn1c(N2CCN(C(=O)C(=O)N3CCOCC3)CC2)nnc1C(C)(C)C)[NH+]1CCOCC1 ZINC001288679141 1069869159 /nfs/dbraw/zinc/86/91/59/1069869159.db2.gz WTSGRPPCKDSRCN-GOSISDBHSA-N 1 2 477.610 -0.196 20 0 JBADLO C[C@@H](Cn1c(N2CCN(C(=O)C(=O)N3CCOCC3)CC2)nnc1C(C)(C)C)[NH+]1CCOCC1 ZINC001288679142 1069868694 /nfs/dbraw/zinc/86/86/94/1069868694.db2.gz WTSGRPPCKDSRCN-SFHVURJKSA-N 1 2 477.610 -0.196 20 0 JBADLO C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2CCOC[C@H]2C1)C[NH+]1CCOCC1 ZINC001288704851 1069869539 /nfs/dbraw/zinc/86/95/39/1069869539.db2.gz GDTDBQIPERNBAU-FGTMMUONSA-N 1 2 471.628 -0.623 20 0 JBADLO C[C@@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2CCOC[C@@H]2C1)C[NH+]1CCOCC1 ZINC001288704852 1069869670 /nfs/dbraw/zinc/86/96/70/1069869670.db2.gz GDTDBQIPERNBAU-KURKYZTESA-N 1 2 471.628 -0.623 20 0 JBADLO C[C@@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2CCOC[C@H]2C1)C[NH+]1CCOCC1 ZINC001288704853 1069869018 /nfs/dbraw/zinc/86/90/18/1069869018.db2.gz GDTDBQIPERNBAU-KZNAEPCWSA-N 1 2 471.628 -0.623 20 0 JBADLO C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2CCOC[C@@H]2C1)C[NH+]1CCOCC1 ZINC001288704854 1069869241 /nfs/dbraw/zinc/86/92/41/1069869241.db2.gz GDTDBQIPERNBAU-SQNIBIBYSA-N 1 2 471.628 -0.623 20 0 JBADLO C[C@H](NS(C)(=O)=O)c1nnc(N(C)CC(=O)NC(C)(C)C)n1CC[N@H+]1CCOC[C@H]1C ZINC001288776011 1069873188 /nfs/dbraw/zinc/87/31/88/1069873188.db2.gz JDMNDHWROHTHHR-CABCVRRESA-N 1 2 459.617 -0.040 20 0 JBADLO C[C@H](NS(C)(=O)=O)c1nnc(N(C)CC(=O)NC(C)(C)C)n1CC[N@@H+]1CCOC[C@H]1C ZINC001288776011 1069873170 /nfs/dbraw/zinc/87/31/70/1069873170.db2.gz JDMNDHWROHTHHR-CABCVRRESA-N 1 2 459.617 -0.040 20 0 JBADLO C[C@H](NS(C)(=O)=O)c1nnc(N(C)CC(=O)NC(C)(C)C)n1CC[N@H+]1CCOC[C@@H]1C ZINC001288776017 1069872722 /nfs/dbraw/zinc/87/27/22/1069872722.db2.gz JDMNDHWROHTHHR-GJZGRUSLSA-N 1 2 459.617 -0.040 20 0 JBADLO C[C@H](NS(C)(=O)=O)c1nnc(N(C)CC(=O)NC(C)(C)C)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001288776017 1069872699 /nfs/dbraw/zinc/87/26/99/1069872699.db2.gz JDMNDHWROHTHHR-GJZGRUSLSA-N 1 2 459.617 -0.040 20 0 JBADLO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)CC(=O)NC(C)(C)C)n1CC[N@H+]1CCOC[C@H]1C ZINC001288776021 1069872475 /nfs/dbraw/zinc/87/24/75/1069872475.db2.gz JDMNDHWROHTHHR-HUUCEWRRSA-N 1 2 459.617 -0.040 20 0 JBADLO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)CC(=O)NC(C)(C)C)n1CC[N@@H+]1CCOC[C@H]1C ZINC001288776021 1069872447 /nfs/dbraw/zinc/87/24/47/1069872447.db2.gz JDMNDHWROHTHHR-HUUCEWRRSA-N 1 2 459.617 -0.040 20 0 JBADLO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)CC(=O)NC(C)(C)C)n1CC[N@H+]1CCOC[C@@H]1C ZINC001288776022 1069872846 /nfs/dbraw/zinc/87/28/46/1069872846.db2.gz JDMNDHWROHTHHR-LSDHHAIUSA-N 1 2 459.617 -0.040 20 0 JBADLO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)CC(=O)NC(C)(C)C)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001288776022 1069872821 /nfs/dbraw/zinc/87/28/21/1069872821.db2.gz JDMNDHWROHTHHR-LSDHHAIUSA-N 1 2 459.617 -0.040 20 0 JBADLO C[C@H](NS(C)(=O)=O)c1nnc(N(C)CC(=O)N2CCOCC2)n1CC1([NH+]2CCOCC2)CC1 ZINC001288783473 1069873728 /nfs/dbraw/zinc/87/37/28/1069873728.db2.gz ZMCAAHUGKIAOSD-INIZCTEOSA-N 1 2 485.611 -0.952 20 0 JBADLO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)CC(=O)N2CCOCC2)n1CC1([NH+]2CCOCC2)CC1 ZINC001288783474 1069873677 /nfs/dbraw/zinc/87/36/77/1069873677.db2.gz ZMCAAHUGKIAOSD-MRXNPFEDSA-N 1 2 485.611 -0.952 20 0 JBADLO C[C@H](NS(C)(=O)=O)c1nnc(N(C)CC[NH+]2CCOCC2)n1CCNC(=O)C(C)(C)C ZINC001288792294 1069874998 /nfs/dbraw/zinc/87/49/98/1069874998.db2.gz RPNLRWUXFHAAEY-HNNXBMFYSA-N 1 2 459.617 -0.181 20 0 JBADLO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)CC[NH+]2CCOCC2)n1CCNC(=O)C(C)(C)C ZINC001288792297 1069874790 /nfs/dbraw/zinc/87/47/90/1069874790.db2.gz RPNLRWUXFHAAEY-OAHLLOKOSA-N 1 2 459.617 -0.181 20 0 JBADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](C)(C(N)=O)C2)n1CC1([NH+]2CCOCC2)CC1 ZINC001288817991 1069879597 /nfs/dbraw/zinc/87/95/97/1069879597.db2.gz QTQADLSERBVSSK-KBXCAEBGSA-N 1 2 455.585 -0.545 20 0 JBADLO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@](C)(C(N)=O)C2)n1CC1([NH+]2CCOCC2)CC1 ZINC001288817992 1069879859 /nfs/dbraw/zinc/87/98/59/1069879859.db2.gz QTQADLSERBVSSK-KDOFPFPSSA-N 1 2 455.585 -0.545 20 0 JBADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@](C)(C(N)=O)C2)n1CC1([NH+]2CCOCC2)CC1 ZINC001288817993 1069880307 /nfs/dbraw/zinc/88/03/07/1069880307.db2.gz QTQADLSERBVSSK-KSSFIOAISA-N 1 2 455.585 -0.545 20 0 JBADLO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@](C)(C(N)=O)C2)n1CC1([NH+]2CCOCC2)CC1 ZINC001288817994 1069880175 /nfs/dbraw/zinc/88/01/75/1069880175.db2.gz QTQADLSERBVSSK-RDTXWAMCSA-N 1 2 455.585 -0.545 20 0 JBADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@]3(CCC(=O)N3)C2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001288833020 1069884825 /nfs/dbraw/zinc/88/48/25/1069884825.db2.gz KBRYCOLRUIZMRR-DOXZYTNZSA-N 1 2 455.585 -0.532 20 0 JBADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@]3(CCC(=O)N3)C2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001288833020 1069884796 /nfs/dbraw/zinc/88/47/96/1069884796.db2.gz KBRYCOLRUIZMRR-DOXZYTNZSA-N 1 2 455.585 -0.532 20 0 JBADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@]3(CCC(=O)N3)C2)n1CC[N@H+]1CCOC[C@H]1C ZINC001288833022 1069884706 /nfs/dbraw/zinc/88/47/06/1069884706.db2.gz KBRYCOLRUIZMRR-VCBZYWHSSA-N 1 2 455.585 -0.532 20 0 JBADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@]3(CCC(=O)N3)C2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001288833022 1069884692 /nfs/dbraw/zinc/88/46/92/1069884692.db2.gz KBRYCOLRUIZMRR-VCBZYWHSSA-N 1 2 455.585 -0.532 20 0 JBADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@]3(CCC(=O)N3)C2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001288833023 1069884986 /nfs/dbraw/zinc/88/49/86/1069884986.db2.gz KBRYCOLRUIZMRR-YZVOILCLSA-N 1 2 455.585 -0.532 20 0 JBADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@]3(CCC(=O)N3)C2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001288833023 1069884965 /nfs/dbraw/zinc/88/49/65/1069884965.db2.gz KBRYCOLRUIZMRR-YZVOILCLSA-N 1 2 455.585 -0.532 20 0 JBADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@]3(CCC(=O)N3)C2)n1CC[N@H+]1CCOC[C@H]1C ZINC001288833024 1069885041 /nfs/dbraw/zinc/88/50/41/1069885041.db2.gz KBRYCOLRUIZMRR-ZRGWGRIASA-N 1 2 455.585 -0.532 20 0 JBADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@]3(CCC(=O)N3)C2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001288833024 1069885023 /nfs/dbraw/zinc/88/50/23/1069885023.db2.gz KBRYCOLRUIZMRR-ZRGWGRIASA-N 1 2 455.585 -0.532 20 0 JBADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)n1C[C@H]1COCCO1 ZINC001288858139 1069893586 /nfs/dbraw/zinc/89/35/86/1069893586.db2.gz DBPQXGKSHLYIPQ-BZSNNMDCSA-N 1 2 499.638 -0.563 20 0 JBADLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2COCCO2)CC1 ZINC001288858142 1069893855 /nfs/dbraw/zinc/89/38/55/1069893855.db2.gz DBPQXGKSHLYIPQ-KSZLIROESA-N 1 2 499.638 -0.563 20 0 JBADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)n1C[C@@H]1COCCO1 ZINC001288858144 1069893634 /nfs/dbraw/zinc/89/36/34/1069893634.db2.gz DBPQXGKSHLYIPQ-OKZBNKHCSA-N 1 2 499.638 -0.563 20 0 JBADLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2COCCO2)CC1 ZINC001288858147 1069893501 /nfs/dbraw/zinc/89/35/01/1069893501.db2.gz DBPQXGKSHLYIPQ-RCCFBDPRSA-N 1 2 499.638 -0.563 20 0 JBADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C)C(=O)C2)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001288858665 1069894011 /nfs/dbraw/zinc/89/40/11/1069894011.db2.gz GPZZPKIIISNJBX-HNNXBMFYSA-N 1 2 478.579 -0.553 20 0 JBADLO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C)C(=O)C2)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001288858666 1069893811 /nfs/dbraw/zinc/89/38/11/1069893811.db2.gz GPZZPKIIISNJBX-OAHLLOKOSA-N 1 2 478.579 -0.553 20 0 JBADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3cccc[nH+]3)CC2)n1CCS(=O)(=O)N(C)C ZINC001288863835 1069899080 /nfs/dbraw/zinc/89/90/80/1069899080.db2.gz RWVMLGZVJBLGLV-HNNXBMFYSA-N 1 2 486.624 -0.499 20 0 JBADLO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(c3cccc[nH+]3)CC2)n1CCS(=O)(=O)N(C)C ZINC001288863836 1069899432 /nfs/dbraw/zinc/89/94/32/1069899432.db2.gz RWVMLGZVJBLGLV-OAHLLOKOSA-N 1 2 486.624 -0.499 20 0 JBADLO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)N(C)C[C@@H]3C2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001288869937 1069903603 /nfs/dbraw/zinc/90/36/03/1069903603.db2.gz KWSJQAGPBGPZBW-GDBMZVCRSA-N 1 2 477.595 -0.046 20 0 JBADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)N(C)C[C@@H]3C2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001288869938 1069903655 /nfs/dbraw/zinc/90/36/55/1069903655.db2.gz KWSJQAGPBGPZBW-GOEBONIOSA-N 1 2 477.595 -0.046 20 0 JBADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)N(C)C[C@H]3C2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001288869939 1069903504 /nfs/dbraw/zinc/90/35/04/1069903504.db2.gz KWSJQAGPBGPZBW-HOCLYGCPSA-N 1 2 477.595 -0.046 20 0 JBADLO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)N(C)C[C@H]3C2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001288869940 1069903612 /nfs/dbraw/zinc/90/36/12/1069903612.db2.gz KWSJQAGPBGPZBW-ZBFHGGJFSA-N 1 2 477.595 -0.046 20 0 JBADLO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](CC3CC3)CC2)n1C[C@H]1CCS(=O)(=O)C1 ZINC001288872986 1069907058 /nfs/dbraw/zinc/90/70/58/1069907058.db2.gz WTUJPCIPPGMQQY-GDBMZVCRSA-N 1 2 460.626 -0.145 20 0 JBADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](CC3CC3)CC2)n1C[C@H]1CCS(=O)(=O)C1 ZINC001288872987 1069906909 /nfs/dbraw/zinc/90/69/09/1069906909.db2.gz WTUJPCIPPGMQQY-GOEBONIOSA-N 1 2 460.626 -0.145 20 0 JBADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](CC3CC3)CC2)n1C[C@@H]1CCS(=O)(=O)C1 ZINC001288872988 1069907137 /nfs/dbraw/zinc/90/71/37/1069907137.db2.gz WTUJPCIPPGMQQY-HOCLYGCPSA-N 1 2 460.626 -0.145 20 0 JBADLO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](CC3CC3)CC2)n1C[C@@H]1CCS(=O)(=O)C1 ZINC001288872989 1069906976 /nfs/dbraw/zinc/90/69/76/1069906976.db2.gz WTUJPCIPPGMQQY-ZBFHGGJFSA-N 1 2 460.626 -0.145 20 0 JBADLO C[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1)[NH+]1CCOCC1 ZINC001288885427 1069910408 /nfs/dbraw/zinc/91/04/08/1069910408.db2.gz RGRPKPXOPNDYSM-FPCVCCKLSA-N 1 2 471.584 -0.456 20 0 JBADLO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H]3NC(=O)OC[C@H]3C2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001288885429 1069910380 /nfs/dbraw/zinc/91/03/80/1069910380.db2.gz RGRPKPXOPNDYSM-JJXSEGSLSA-N 1 2 471.584 -0.456 20 0 JBADLO C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1)[NH+]1CCOCC1 ZINC001288885432 1069910467 /nfs/dbraw/zinc/91/04/67/1069910467.db2.gz RGRPKPXOPNDYSM-JONQDZQNSA-N 1 2 471.584 -0.456 20 0 JBADLO C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]2NC(=O)OC[C@H]2C1)[NH+]1CCOCC1 ZINC001288885437 1069910336 /nfs/dbraw/zinc/91/03/36/1069910336.db2.gz RGRPKPXOPNDYSM-QXSJWSMHSA-N 1 2 471.584 -0.456 20 0 JBADLO CCNC(=O)C[N@H+]1CCCN(C(=O)CNS(=O)(=O)c2ccc(CNC(C)=O)s2)CC1 ZINC001290449191 1069918429 /nfs/dbraw/zinc/91/84/29/1069918429.db2.gz FSGWVVGUDUGLMI-UHFFFAOYSA-N 1 2 459.594 -0.667 20 0 JBADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)CNS(=O)(=O)c2ccc(CNC(C)=O)s2)CC1 ZINC001290449191 1069918425 /nfs/dbraw/zinc/91/84/25/1069918425.db2.gz FSGWVVGUDUGLMI-UHFFFAOYSA-N 1 2 459.594 -0.667 20 0 JBADLO Cc1nc(N2CCN(c3nnc(C(=O)NC(C)C)n3CCS(=O)(=O)N(C)C)CC2)cc[nH+]1 ZINC001290496718 1069919406 /nfs/dbraw/zinc/91/94/06/1069919406.db2.gz QLBRGBAQJLBNGM-UHFFFAOYSA-N 1 2 465.584 -0.267 20 0 JBADLO Cc1cc(C)n(Cc2nnc(N(C)CCNS(C)(=O)=O)n2C[C@H](C)[NH+]2CCOCC2)n1 ZINC001290612079 1069921387 /nfs/dbraw/zinc/92/13/87/1069921387.db2.gz AYFHUFKQLRPXQH-KRWDZBQOSA-N 1 2 454.601 -0.154 20 0 JBADLO Cc1cc(C)n(Cc2nnc(N(C)CCNS(C)(=O)=O)n2C[C@@H](C)[NH+]2CCOCC2)n1 ZINC001290612084 1069921378 /nfs/dbraw/zinc/92/13/78/1069921378.db2.gz AYFHUFKQLRPXQH-QGZVFWFLSA-N 1 2 454.601 -0.154 20 0 JBADLO CCC[C@@H](CCCS(C)(=O)=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC001290817364 1069923094 /nfs/dbraw/zinc/92/30/94/1069923094.db2.gz COYGQNPYZXVFMU-KRWDZBQOSA-N 1 2 452.643 -0.136 20 0 JBADLO CCC[C@H](CCCS(C)(=O)=O)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC001290817365 1069923036 /nfs/dbraw/zinc/92/30/36/1069923036.db2.gz COYGQNPYZXVFMU-QGZVFWFLSA-N 1 2 452.643 -0.136 20 0 JBADLO Cc1ccc(CNC(=O)NCC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC001290817410 1069922906 /nfs/dbraw/zinc/92/29/06/1069922906.db2.gz CXXCVTKKBNMICE-UHFFFAOYSA-N 1 2 452.581 -0.569 20 0 JBADLO Cc1cc(S(N)(=O)=O)cc(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1C ZINC001290818759 1069923855 /nfs/dbraw/zinc/92/38/55/1069923855.db2.gz YGXAVAWGGMPHOU-UHFFFAOYSA-N 1 2 459.594 -0.799 20 0 JBADLO COCCOc1cc(OC)ccc1C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC001290818802 1069923711 /nfs/dbraw/zinc/92/37/11/1069923711.db2.gz ZHOIHJKTCUTPPD-UHFFFAOYSA-N 1 2 456.565 -0.030 20 0 JBADLO C[C@H]1C(=O)N(C)CCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001290980466 1069926987 /nfs/dbraw/zinc/92/69/87/1069926987.db2.gz MRWXJBKDHJVBNP-DOTOQJQBSA-N 1 2 492.606 -0.213 20 0 JBADLO C[C@@H]1C(=O)N(C)CCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001290980467 1069927106 /nfs/dbraw/zinc/92/71/06/1069927106.db2.gz MRWXJBKDHJVBNP-NVXWUHKLSA-N 1 2 492.606 -0.213 20 0 JBADLO C[C@H]1C(=O)N(C)CCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001290980468 1069926944 /nfs/dbraw/zinc/92/69/44/1069926944.db2.gz MRWXJBKDHJVBNP-RDJZCZTQSA-N 1 2 492.606 -0.213 20 0 JBADLO C[C@@H]1C(=O)N(C)CCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001290980469 1069927045 /nfs/dbraw/zinc/92/70/45/1069927045.db2.gz MRWXJBKDHJVBNP-WBVHZDCISA-N 1 2 492.606 -0.213 20 0 JBADLO C[C@H]1CN(C)C(=O)CN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001291191977 1069930487 /nfs/dbraw/zinc/93/04/87/1069930487.db2.gz CBKFETKIVDNWNR-DLBZAZTESA-N 1 2 499.638 -0.611 20 0 JBADLO C[C@@H]1CN(C)C(=O)CN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001291191978 1069930549 /nfs/dbraw/zinc/93/05/49/1069930549.db2.gz CBKFETKIVDNWNR-IAGOWNOFSA-N 1 2 499.638 -0.611 20 0 JBADLO C[C@H]1CN(C)C(=O)CN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001291191979 1069930446 /nfs/dbraw/zinc/93/04/46/1069930446.db2.gz CBKFETKIVDNWNR-IRXDYDNUSA-N 1 2 499.638 -0.611 20 0 JBADLO C[C@@H]1CN(C)C(=O)CN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001291191980 1069930512 /nfs/dbraw/zinc/93/05/12/1069930512.db2.gz CBKFETKIVDNWNR-SJORKVTESA-N 1 2 499.638 -0.611 20 0 JBADLO C[C@@H]1CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@H+]2CCOC[C@@H]2C)CCO1 ZINC001291256078 1069935167 /nfs/dbraw/zinc/93/51/67/1069935167.db2.gz PNUYWYQERQXELK-BBWFWOEESA-N 1 2 458.585 -0.443 20 0 JBADLO C[C@@H]1CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@@H+]2CCOC[C@@H]2C)CCO1 ZINC001291256078 1069935163 /nfs/dbraw/zinc/93/51/63/1069935163.db2.gz PNUYWYQERQXELK-BBWFWOEESA-N 1 2 458.585 -0.443 20 0 JBADLO C[C@@H]1CN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@H+]2CCOC[C@H]2C)CCO1 ZINC001291256079 1069935050 /nfs/dbraw/zinc/93/50/50/1069935050.db2.gz PNUYWYQERQXELK-BRWVUGGUSA-N 1 2 458.585 -0.443 20 0 JBADLO C[C@@H]1CN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@@H+]2CCOC[C@H]2C)CCO1 ZINC001291256079 1069935047 /nfs/dbraw/zinc/93/50/47/1069935047.db2.gz PNUYWYQERQXELK-BRWVUGGUSA-N 1 2 458.585 -0.443 20 0 JBADLO C[C@@H]1CN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@H+]2CCOC[C@@H]2C)CCO1 ZINC001291256080 1069935102 /nfs/dbraw/zinc/93/51/02/1069935102.db2.gz PNUYWYQERQXELK-GVDBMIGSSA-N 1 2 458.585 -0.443 20 0 JBADLO C[C@@H]1CN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@@H+]2CCOC[C@@H]2C)CCO1 ZINC001291256080 1069935096 /nfs/dbraw/zinc/93/50/96/1069935096.db2.gz PNUYWYQERQXELK-GVDBMIGSSA-N 1 2 458.585 -0.443 20 0 JBADLO C[C@@H]1CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@H+]2CCOC[C@H]2C)CCO1 ZINC001291256081 1069935246 /nfs/dbraw/zinc/93/52/46/1069935246.db2.gz PNUYWYQERQXELK-ZACQAIPSSA-N 1 2 458.585 -0.443 20 0 JBADLO C[C@@H]1CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@@H+]2CCOC[C@H]2C)CCO1 ZINC001291256081 1069935240 /nfs/dbraw/zinc/93/52/40/1069935240.db2.gz PNUYWYQERQXELK-ZACQAIPSSA-N 1 2 458.585 -0.443 20 0 JBADLO C[C@H]1COCC[N@H+]1CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(CNS(C)(=O)=O)CC1 ZINC001291308027 1069937744 /nfs/dbraw/zinc/93/77/44/1069937744.db2.gz FZZCZLYFKQEPAZ-DOTOQJQBSA-N 1 2 469.612 -0.285 20 0 JBADLO C[C@H]1COCC[N@@H+]1CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(CNS(C)(=O)=O)CC1 ZINC001291308027 1069937742 /nfs/dbraw/zinc/93/77/42/1069937742.db2.gz FZZCZLYFKQEPAZ-DOTOQJQBSA-N 1 2 469.612 -0.285 20 0 JBADLO C[C@@H]1COCC[N@H+]1CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(CNS(C)(=O)=O)CC1 ZINC001291308028 1069937682 /nfs/dbraw/zinc/93/76/82/1069937682.db2.gz FZZCZLYFKQEPAZ-NVXWUHKLSA-N 1 2 469.612 -0.285 20 0 JBADLO C[C@@H]1COCC[N@@H+]1CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(CNS(C)(=O)=O)CC1 ZINC001291308028 1069937681 /nfs/dbraw/zinc/93/76/81/1069937681.db2.gz FZZCZLYFKQEPAZ-NVXWUHKLSA-N 1 2 469.612 -0.285 20 0 JBADLO C[C@H]1COCC[N@H+]1CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(CNS(C)(=O)=O)CC1 ZINC001291308029 1069937917 /nfs/dbraw/zinc/93/79/17/1069937917.db2.gz FZZCZLYFKQEPAZ-RDJZCZTQSA-N 1 2 469.612 -0.285 20 0 JBADLO C[C@H]1COCC[N@@H+]1CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(CNS(C)(=O)=O)CC1 ZINC001291308029 1069937913 /nfs/dbraw/zinc/93/79/13/1069937913.db2.gz FZZCZLYFKQEPAZ-RDJZCZTQSA-N 1 2 469.612 -0.285 20 0 JBADLO C[C@@H]1COCC[N@H+]1CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(CNS(C)(=O)=O)CC1 ZINC001291308030 1069937877 /nfs/dbraw/zinc/93/78/77/1069937877.db2.gz FZZCZLYFKQEPAZ-WBVHZDCISA-N 1 2 469.612 -0.285 20 0 JBADLO C[C@@H]1COCC[N@@H+]1CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(CNS(C)(=O)=O)CC1 ZINC001291308030 1069937875 /nfs/dbraw/zinc/93/78/75/1069937875.db2.gz FZZCZLYFKQEPAZ-WBVHZDCISA-N 1 2 469.612 -0.285 20 0 JBADLO C[C@@H]1COCC[N@H+]1CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC(N)=O)CC1 ZINC001291308869 1069937696 /nfs/dbraw/zinc/93/76/96/1069937696.db2.gz UMTFEIBFWBJWGE-AEFFLSMTSA-N 1 2 499.638 -0.577 20 0 JBADLO C[C@@H]1COCC[N@@H+]1CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC(N)=O)CC1 ZINC001291308869 1069937693 /nfs/dbraw/zinc/93/76/93/1069937693.db2.gz UMTFEIBFWBJWGE-AEFFLSMTSA-N 1 2 499.638 -0.577 20 0 JBADLO C[C@H]1COCC[N@H+]1CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC(N)=O)CC1 ZINC001291308870 1069937670 /nfs/dbraw/zinc/93/76/70/1069937670.db2.gz UMTFEIBFWBJWGE-FUHWJXTLSA-N 1 2 499.638 -0.577 20 0 JBADLO C[C@H]1COCC[N@@H+]1CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC(N)=O)CC1 ZINC001291308870 1069937666 /nfs/dbraw/zinc/93/76/66/1069937666.db2.gz UMTFEIBFWBJWGE-FUHWJXTLSA-N 1 2 499.638 -0.577 20 0 JBADLO C[C@@H]1COCC[N@H+]1CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC(N)=O)CC1 ZINC001291308871 1069937908 /nfs/dbraw/zinc/93/79/08/1069937908.db2.gz UMTFEIBFWBJWGE-SJLPKXTDSA-N 1 2 499.638 -0.577 20 0 JBADLO C[C@@H]1COCC[N@@H+]1CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC(N)=O)CC1 ZINC001291308871 1069937891 /nfs/dbraw/zinc/93/78/91/1069937891.db2.gz UMTFEIBFWBJWGE-SJLPKXTDSA-N 1 2 499.638 -0.577 20 0 JBADLO C[C@H]1COCC[N@H+]1CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC(N)=O)CC1 ZINC001291308872 1069937807 /nfs/dbraw/zinc/93/78/07/1069937807.db2.gz UMTFEIBFWBJWGE-WMZOPIPTSA-N 1 2 499.638 -0.577 20 0 JBADLO C[C@H]1COCC[N@@H+]1CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC(N)=O)CC1 ZINC001291308872 1069937804 /nfs/dbraw/zinc/93/78/04/1069937804.db2.gz UMTFEIBFWBJWGE-WMZOPIPTSA-N 1 2 499.638 -0.577 20 0 JBADLO C[C@H]1COCC[N@H+]1CCn1c(CN2CCCC2=O)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 ZINC001291309687 1069937761 /nfs/dbraw/zinc/93/77/61/1069937761.db2.gz LKYATXYJLCGEOT-KRWDZBQOSA-N 1 2 483.639 -0.019 20 0 JBADLO C[C@H]1COCC[N@@H+]1CCn1c(CN2CCCC2=O)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 ZINC001291309687 1069937760 /nfs/dbraw/zinc/93/77/60/1069937760.db2.gz LKYATXYJLCGEOT-KRWDZBQOSA-N 1 2 483.639 -0.019 20 0 JBADLO C[C@@H]1COCC[N@H+]1CCn1c(CN2CCCC2=O)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 ZINC001291309688 1069938483 /nfs/dbraw/zinc/93/84/83/1069938483.db2.gz LKYATXYJLCGEOT-QGZVFWFLSA-N 1 2 483.639 -0.019 20 0 JBADLO C[C@@H]1COCC[N@@H+]1CCn1c(CN2CCCC2=O)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 ZINC001291309688 1069938479 /nfs/dbraw/zinc/93/84/79/1069938479.db2.gz LKYATXYJLCGEOT-QGZVFWFLSA-N 1 2 483.639 -0.019 20 0 JBADLO CC[C@H](C)NC(=O)CN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[N@H+]2CCOC[C@@H]2C)CC1 ZINC001291836865 1069945945 /nfs/dbraw/zinc/94/59/45/1069945945.db2.gz SBEGQFNKEUYFDD-FHWLQOOXSA-N 1 2 476.626 -0.013 20 0 JBADLO CC[C@H](C)NC(=O)CN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC001291836865 1069945937 /nfs/dbraw/zinc/94/59/37/1069945937.db2.gz SBEGQFNKEUYFDD-FHWLQOOXSA-N 1 2 476.626 -0.013 20 0 JBADLO CC[C@H](C)NC(=O)CN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC[N@H+]2CCOC[C@@H]2C)CC1 ZINC001291836872 1069946066 /nfs/dbraw/zinc/94/60/66/1069946066.db2.gz SBEGQFNKEUYFDD-GBESFXJTSA-N 1 2 476.626 -0.013 20 0 JBADLO CC[C@H](C)NC(=O)CN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC001291836872 1069946057 /nfs/dbraw/zinc/94/60/57/1069946057.db2.gz SBEGQFNKEUYFDD-GBESFXJTSA-N 1 2 476.626 -0.013 20 0 JBADLO CC[C@H](C)NC(=O)CN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC[N@H+]2CCOC[C@H]2C)CC1 ZINC001291836874 1069945926 /nfs/dbraw/zinc/94/59/26/1069945926.db2.gz SBEGQFNKEUYFDD-IPMKNSEASA-N 1 2 476.626 -0.013 20 0 JBADLO CC[C@H](C)NC(=O)CN1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC[N@@H+]2CCOC[C@H]2C)CC1 ZINC001291836874 1069945915 /nfs/dbraw/zinc/94/59/15/1069945915.db2.gz SBEGQFNKEUYFDD-IPMKNSEASA-N 1 2 476.626 -0.013 20 0 JBADLO CC[C@H](C)NC(=O)CN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[N@H+]2CCOC[C@H]2C)CC1 ZINC001291836876 1069945978 /nfs/dbraw/zinc/94/59/78/1069945978.db2.gz SBEGQFNKEUYFDD-OTWHNJEPSA-N 1 2 476.626 -0.013 20 0 JBADLO CC[C@H](C)NC(=O)CN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[N@@H+]2CCOC[C@H]2C)CC1 ZINC001291836876 1069945974 /nfs/dbraw/zinc/94/59/74/1069945974.db2.gz SBEGQFNKEUYFDD-OTWHNJEPSA-N 1 2 476.626 -0.013 20 0 JBADLO CS(=O)(=O)N1CCN(CCNC(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC001292105777 1069947469 /nfs/dbraw/zinc/94/74/69/1069947469.db2.gz IAUMIPRQXMXQTP-UHFFFAOYSA-N 1 2 452.581 -0.796 20 0 JBADLO CCC(CC)NC(=O)c1nnc(N2CC[NH+](C[C@@H]3CCOC3)CC2)n1C[C@]1(O)CCS(=O)(=O)C1 ZINC001292127218 1069948127 /nfs/dbraw/zinc/94/81/27/1069948127.db2.gz XOOPIFCRHXVTFS-HTAPYJJXSA-N 1 2 498.650 -0.095 20 0 JBADLO CCC(CC)NC(=O)c1nnc(N2CC[NH+](C[C@@H]3CCOC3)CC2)n1C[C@@]1(O)CCS(=O)(=O)C1 ZINC001292127219 1069947996 /nfs/dbraw/zinc/94/79/96/1069947996.db2.gz XOOPIFCRHXVTFS-JTSKRJEESA-N 1 2 498.650 -0.095 20 0 JBADLO CCC(CC)NC(=O)c1nnc(N2CC[NH+](C[C@H]3CCOC3)CC2)n1C[C@]1(O)CCS(=O)(=O)C1 ZINC001292127220 1069948139 /nfs/dbraw/zinc/94/81/39/1069948139.db2.gz XOOPIFCRHXVTFS-VGOFRKELSA-N 1 2 498.650 -0.095 20 0 JBADLO CCC(CC)NC(=O)c1nnc(N2CC[NH+](C[C@H]3CCOC3)CC2)n1C[C@@]1(O)CCS(=O)(=O)C1 ZINC001292127221 1069948009 /nfs/dbraw/zinc/94/80/09/1069948009.db2.gz XOOPIFCRHXVTFS-VGSWGCGISA-N 1 2 498.650 -0.095 20 0 JBADLO CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)CCn3cc[nH]c(=O)c3=O)cc2)CC1 ZINC001292705780 1069953074 /nfs/dbraw/zinc/95/30/74/1069953074.db2.gz DITUSJPMBQMGPG-UHFFFAOYSA-N 1 2 457.531 -0.172 20 0 JBADLO CCc1nnc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)n1CC1(O)CCS(=O)(=O)CC1 ZINC001293093943 1069956632 /nfs/dbraw/zinc/95/66/32/1069956632.db2.gz JUWHHQQKJNJCJR-KRWDZBQOSA-N 1 2 468.624 -0.087 20 0 JBADLO CCc1nnc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)n1CC1(O)CCS(=O)(=O)CC1 ZINC001293093945 1069956759 /nfs/dbraw/zinc/95/67/59/1069956759.db2.gz JUWHHQQKJNJCJR-QGZVFWFLSA-N 1 2 468.624 -0.087 20 0 JBADLO CCc1nnc(N2CCN(c3ncccc3C(N)=O)CC2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001293110896 1069957370 /nfs/dbraw/zinc/95/73/70/1069957370.db2.gz HDELWOVKYULQPT-UHFFFAOYSA-N 1 2 455.567 -0.175 20 0 JBADLO CC[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCS(=O)(=O)N(C)C)CC[N@H+]1CCOC ZINC001293595050 1069962106 /nfs/dbraw/zinc/96/21/06/1069962106.db2.gz ATAXPBDQNQWYKY-DLBZAZTESA-N 1 2 492.668 -0.381 20 0 JBADLO CC[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCS(=O)(=O)N(C)C)CC[N@@H+]1CCOC ZINC001293595050 1069962100 /nfs/dbraw/zinc/96/21/00/1069962100.db2.gz ATAXPBDQNQWYKY-DLBZAZTESA-N 1 2 492.668 -0.381 20 0 JBADLO CC[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCS(=O)(=O)N(C)C)CC[N@H+]1CCOC ZINC001293595051 1069961996 /nfs/dbraw/zinc/96/19/96/1069961996.db2.gz ATAXPBDQNQWYKY-IAGOWNOFSA-N 1 2 492.668 -0.381 20 0 JBADLO CC[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCS(=O)(=O)N(C)C)CC[N@@H+]1CCOC ZINC001293595051 1069961987 /nfs/dbraw/zinc/96/19/87/1069961987.db2.gz ATAXPBDQNQWYKY-IAGOWNOFSA-N 1 2 492.668 -0.381 20 0 JBADLO CC[C@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCS(=O)(=O)N(C)C)CC[N@H+]1CCOC ZINC001293595052 1069961879 /nfs/dbraw/zinc/96/18/79/1069961879.db2.gz ATAXPBDQNQWYKY-IRXDYDNUSA-N 1 2 492.668 -0.381 20 0 JBADLO CC[C@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCS(=O)(=O)N(C)C)CC[N@@H+]1CCOC ZINC001293595052 1069961870 /nfs/dbraw/zinc/96/18/70/1069961870.db2.gz ATAXPBDQNQWYKY-IRXDYDNUSA-N 1 2 492.668 -0.381 20 0 JBADLO CC[C@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCS(=O)(=O)N(C)C)CC[N@H+]1CCOC ZINC001293595053 1069962041 /nfs/dbraw/zinc/96/20/41/1069962041.db2.gz ATAXPBDQNQWYKY-SJORKVTESA-N 1 2 492.668 -0.381 20 0 JBADLO CC[C@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCS(=O)(=O)N(C)C)CC[N@@H+]1CCOC ZINC001293595053 1069962034 /nfs/dbraw/zinc/96/20/34/1069962034.db2.gz ATAXPBDQNQWYKY-SJORKVTESA-N 1 2 492.668 -0.381 20 0 JBADLO CC[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@]2(O)CCOC2)CC[N@H+]1CCOC ZINC001293596934 1069962079 /nfs/dbraw/zinc/96/20/79/1069962079.db2.gz WTHQYYPDWXVBBN-HLIPFELVSA-N 1 2 457.597 -0.121 20 0 JBADLO CC[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@]2(O)CCOC2)CC[N@@H+]1CCOC ZINC001293596934 1069962075 /nfs/dbraw/zinc/96/20/75/1069962075.db2.gz WTHQYYPDWXVBBN-HLIPFELVSA-N 1 2 457.597 -0.121 20 0 JBADLO CC[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@]2(O)CCOC2)CC[N@H+]1CCOC ZINC001293596939 1069962060 /nfs/dbraw/zinc/96/20/60/1069962060.db2.gz WTHQYYPDWXVBBN-MBOZVWFJSA-N 1 2 457.597 -0.121 20 0 JBADLO CC[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@]2(O)CCOC2)CC[N@@H+]1CCOC ZINC001293596939 1069962057 /nfs/dbraw/zinc/96/20/57/1069962057.db2.gz WTHQYYPDWXVBBN-MBOZVWFJSA-N 1 2 457.597 -0.121 20 0 JBADLO CC[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@]2(O)CCOC2)CC[N@H+]1CCOC ZINC001293596940 1069962153 /nfs/dbraw/zinc/96/21/53/1069962153.db2.gz WTHQYYPDWXVBBN-QKLQHJQFSA-N 1 2 457.597 -0.121 20 0 JBADLO CC[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@@]2(O)CCOC2)CC[N@@H+]1CCOC ZINC001293596940 1069962148 /nfs/dbraw/zinc/96/21/48/1069962148.db2.gz WTHQYYPDWXVBBN-QKLQHJQFSA-N 1 2 457.597 -0.121 20 0 JBADLO CC[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@]2(O)CCOC2)CC[N@H+]1CCOC ZINC001293596942 1069961843 /nfs/dbraw/zinc/96/18/43/1069961843.db2.gz WTHQYYPDWXVBBN-SQGPQFPESA-N 1 2 457.597 -0.121 20 0 JBADLO CC[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2C[C@]2(O)CCOC2)CC[N@@H+]1CCOC ZINC001293596942 1069961833 /nfs/dbraw/zinc/96/18/33/1069961833.db2.gz WTHQYYPDWXVBBN-SQGPQFPESA-N 1 2 457.597 -0.121 20 0 JBADLO CNS(=O)(=O)N1CCC(C(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)CC1 ZINC001293890671 1069964216 /nfs/dbraw/zinc/96/42/16/1069964216.db2.gz IZVIUSVPQOCBCN-UHFFFAOYSA-N 1 2 453.569 -0.862 20 0 JBADLO CNS(=O)(=O)N1CCC(C(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)CC1 ZINC001293890671 1069964211 /nfs/dbraw/zinc/96/42/11/1069964211.db2.gz IZVIUSVPQOCBCN-UHFFFAOYSA-N 1 2 453.569 -0.862 20 0 JBADLO O=C(CNS(=O)(=O)c1ccc2c(c1)COC2)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001293902223 1069964272 /nfs/dbraw/zinc/96/42/72/1069964272.db2.gz ANPVVKZSAOMPEZ-KRWDZBQOSA-N 1 2 452.533 -0.956 20 0 JBADLO O=C(CNS(=O)(=O)c1ccc2c(c1)COC2)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001293902224 1069964328 /nfs/dbraw/zinc/96/43/28/1069964328.db2.gz ANPVVKZSAOMPEZ-QGZVFWFLSA-N 1 2 452.533 -0.956 20 0 JBADLO COC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001293902295 1069964355 /nfs/dbraw/zinc/96/43/55/1069964355.db2.gz CLLSAFISTLWZNK-HZPDHXFCSA-N 1 2 456.540 -0.118 20 0 JBADLO COC(=O)CC[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001293902296 1069964312 /nfs/dbraw/zinc/96/43/12/1069964312.db2.gz CLLSAFISTLWZNK-JKSUJKDBSA-N 1 2 456.540 -0.118 20 0 JBADLO CC(=O)c1cccc(S(=O)(=O)NCC(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC001293902406 1069964243 /nfs/dbraw/zinc/96/42/43/1069964243.db2.gz FZCUBSFZWBQYEZ-KRWDZBQOSA-N 1 2 452.533 -0.783 20 0 JBADLO CC(=O)c1cccc(S(=O)(=O)NCC(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC001293902407 1069964336 /nfs/dbraw/zinc/96/43/36/1069964336.db2.gz FZCUBSFZWBQYEZ-QGZVFWFLSA-N 1 2 452.533 -0.783 20 0 JBADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@H]1CCCN1S(=O)(=O)c1ccccc1 ZINC001293902789 1069964376 /nfs/dbraw/zinc/96/43/76/1069964376.db2.gz NWTKDEMWCPRUJU-IEBWSBKVSA-N 1 2 450.561 -0.111 20 0 JBADLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@H]1CCCN1S(=O)(=O)c1ccccc1 ZINC001293902791 1069964233 /nfs/dbraw/zinc/96/42/33/1069964233.db2.gz NWTKDEMWCPRUJU-PKOBYXMFSA-N 1 2 450.561 -0.111 20 0 JBADLO CC(C)(C)OC(=O)N1CCN(CC(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C(=O)C1 ZINC001293903521 1069964346 /nfs/dbraw/zinc/96/43/46/1069964346.db2.gz YRCFBKFFTUSAHN-INIZCTEOSA-N 1 2 453.540 -0.885 20 0 JBADLO CC(C)(C)OC(=O)N1CCN(CC(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C(=O)C1 ZINC001293903522 1069964291 /nfs/dbraw/zinc/96/42/91/1069964291.db2.gz YRCFBKFFTUSAHN-MRXNPFEDSA-N 1 2 453.540 -0.885 20 0 JBADLO O=C([C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1)N1CC[NH+](CCn2cncn2)CC1 ZINC001293931902 1069965410 /nfs/dbraw/zinc/96/54/10/1069965410.db2.gz DJORPCOQTNWKEV-AEFFLSMTSA-N 1 2 452.512 -0.615 20 0 JBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)CCCNS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC001294448923 1069968276 /nfs/dbraw/zinc/96/82/76/1069968276.db2.gz UVWOHYSCNDYREM-INIZCTEOSA-N 1 2 457.549 -0.332 20 0 JBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)CCCNS(=O)(=O)c1ccc2c(c1)OCCO2 ZINC001294448924 1069968232 /nfs/dbraw/zinc/96/82/32/1069968232.db2.gz UVWOHYSCNDYREM-MRXNPFEDSA-N 1 2 457.549 -0.332 20 0 JBADLO COc1ccc(S(=O)(=O)NCC(=O)N2CC[C@H](OCC[NH+]3CCOCC3)C2)cc1OC ZINC001294690799 1069969719 /nfs/dbraw/zinc/96/97/19/1069969719.db2.gz JWQOIRZQYWCFDD-INIZCTEOSA-N 1 2 457.549 -0.068 20 0 JBADLO COc1ccc(S(=O)(=O)NCC(=O)N2CC[C@@H](OCC[NH+]3CCOCC3)C2)cc1OC ZINC001294690800 1069969783 /nfs/dbraw/zinc/96/97/83/1069969783.db2.gz JWQOIRZQYWCFDD-MRXNPFEDSA-N 1 2 457.549 -0.068 20 0 JBADLO CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)N2CC[C@@H](OCC[NH+]3CCOCC3)C2)cc1 ZINC001294690808 1069969761 /nfs/dbraw/zinc/96/97/61/1069969761.db2.gz KCBAIKKUYTVFOY-GOSISDBHSA-N 1 2 454.549 -0.127 20 0 JBADLO CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)N2CC[C@H](OCC[NH+]3CCOCC3)C2)cc1 ZINC001294690809 1069969814 /nfs/dbraw/zinc/96/98/14/1069969814.db2.gz KCBAIKKUYTVFOY-SFHVURJKSA-N 1 2 454.549 -0.127 20 0 JBADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3cnccn3)n2CCS(=O)(=O)NC)CC1 ZINC001295339009 1069981154 /nfs/dbraw/zinc/98/11/54/1069981154.db2.gz 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497.666 -0.209 20 0 JBADLO CCN1CC[NH+]([C@@H]2CCN(c3nnc(C(=O)N4CCCC4)n3CCOCCS(C)(=O)=O)C2)CC1 ZINC001296173685 1069997903 /nfs/dbraw/zinc/99/79/03/1069997903.db2.gz JXEHRCJUUZNRFJ-LJQANCHMSA-N 1 2 497.666 -0.209 20 0 JBADLO CC(=O)NCCN(C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@H](C)C(=O)OC(C)(C)C ZINC001296245600 1070004175 /nfs/dbraw/zinc/00/41/75/1070004175.db2.gz NXPBGAISLGOYPI-AEFFLSMTSA-N 1 2 454.568 -0.138 20 0 JBADLO CC(=O)NCCN(C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@@H](C)C(=O)OC(C)(C)C ZINC001296245602 1070003817 /nfs/dbraw/zinc/00/38/17/1070003817.db2.gz NXPBGAISLGOYPI-FUHWJXTLSA-N 1 2 454.568 -0.138 20 0 JBADLO CC(=O)NCCN(C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@H](C)C(=O)OC(C)(C)C ZINC001296245604 1070004115 /nfs/dbraw/zinc/00/41/15/1070004115.db2.gz NXPBGAISLGOYPI-SJLPKXTDSA-N 1 2 454.568 -0.138 20 0 JBADLO CC(=O)NCCN(C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)[C@@H](C)C(=O)OC(C)(C)C ZINC001296245606 1070004031 /nfs/dbraw/zinc/00/40/31/1070004031.db2.gz NXPBGAISLGOYPI-WMZOPIPTSA-N 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CCNC(=O)CN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2C[C@H](C)[NH+]2CCOCC2)CC1 ZINC001296299088 1070010570 /nfs/dbraw/zinc/01/05/70/1070010570.db2.gz VWXFBRNEKIMXTA-ZJOUEHCJSA-N 1 2 479.626 -0.019 20 0 JBADLO CCNS(=O)(=O)[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2CC[NH+]2CCN(C(C)=O)CC2)C1 ZINC001296338094 1070014318 /nfs/dbraw/zinc/01/43/18/1070014318.db2.gz IGNSMVNQIFVCNV-GOSISDBHSA-N 1 2 496.638 -0.917 20 0 JBADLO CCNS(=O)(=O)[C@H]1CCN(c2nnc(CN3CCCC3=O)n2CC[NH+]2CCN(C(C)=O)CC2)C1 ZINC001296338095 1070014111 /nfs/dbraw/zinc/01/41/11/1070014111.db2.gz IGNSMVNQIFVCNV-SFHVURJKSA-N 1 2 496.638 -0.917 20 0 JBADLO CCNS(=O)(=O)[C@H]1CCN(c2nnc(Cc3cccnc3)n2CC[NH+]2CCN(C(C)=O)CC2)C1 ZINC001296339787 1070015051 /nfs/dbraw/zinc/01/50/51/1070015051.db2.gz QTWFZFVXZDIQJG-FQEVSTJZSA-N 1 2 490.634 -0.054 20 0 JBADLO CCNS(=O)(=O)[C@@H]1CCN(c2nnc(Cc3cccnc3)n2CC[NH+]2CCN(C(C)=O)CC2)C1 ZINC001296339788 1070015133 /nfs/dbraw/zinc/01/51/33/1070015133.db2.gz QTWFZFVXZDIQJG-HXUWFJFHSA-N 1 2 490.634 -0.054 20 0 JBADLO CCOC(=O)N1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](C)[NH+]2CCOCC2)CC1 ZINC001296364998 1070016508 /nfs/dbraw/zinc/01/65/08/1070016508.db2.gz FRBSGQRQWQBSFT-CVEARBPZSA-N 1 2 473.600 -0.113 20 0 JBADLO CCOC(=O)N1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](C)[NH+]2CCOCC2)CC1 ZINC001296364999 1070016220 /nfs/dbraw/zinc/01/62/20/1070016220.db2.gz FRBSGQRQWQBSFT-HOTGVXAUSA-N 1 2 473.600 -0.113 20 0 JBADLO CCOC(=O)N1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](C)[NH+]2CCOCC2)CC1 ZINC001296365000 1070016139 /nfs/dbraw/zinc/01/61/39/1070016139.db2.gz FRBSGQRQWQBSFT-HZPDHXFCSA-N 1 2 473.600 -0.113 20 0 JBADLO CCOC(=O)N1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](C)[NH+]2CCOCC2)CC1 ZINC001296365001 1070016331 /nfs/dbraw/zinc/01/63/31/1070016331.db2.gz FRBSGQRQWQBSFT-JKSUJKDBSA-N 1 2 473.600 -0.113 20 0 JBADLO CCO[C@]1(c2nnc(N3CC(=O)N(C)C[C@@H]3C)n2CC[NH+]2CCN(C(C)=O)CC2)CCOC1 ZINC001296569573 1070018450 /nfs/dbraw/zinc/01/84/50/1070018450.db2.gz JNUWUIPRJFIBNE-HTAPYJJXSA-N 1 2 463.583 -0.239 20 0 JBADLO CCO[C@@]1(c2nnc(N3CC(=O)N(C)C[C@@H]3C)n2CC[NH+]2CCN(C(C)=O)CC2)CCOC1 ZINC001296569575 1070018243 /nfs/dbraw/zinc/01/82/43/1070018243.db2.gz JNUWUIPRJFIBNE-JTSKRJEESA-N 1 2 463.583 -0.239 20 0 JBADLO CCO[C@]1(c2nnc(N3CC(=O)N(C)C[C@H]3C)n2CC[NH+]2CCN(C(C)=O)CC2)CCOC1 ZINC001296569578 1070018145 /nfs/dbraw/zinc/01/81/45/1070018145.db2.gz JNUWUIPRJFIBNE-VGOFRKELSA-N 1 2 463.583 -0.239 20 0 JBADLO CCO[C@@]1(c2nnc(N3CC(=O)N(C)C[C@H]3C)n2CC[NH+]2CCN(C(C)=O)CC2)CCOC1 ZINC001296569580 1070018305 /nfs/dbraw/zinc/01/83/05/1070018305.db2.gz JNUWUIPRJFIBNE-VGSWGCGISA-N 1 2 463.583 -0.239 20 0 JBADLO CCO[C@]1(c2nnc(N3CCN(C(=O)NC)CC3)n2CC[NH+]2CCN(C(C)=O)CC2)CCOC1 ZINC001296647031 1070022222 /nfs/dbraw/zinc/02/22/22/1070022222.db2.gz INBXRRJIFSNLTK-JOCHJYFZSA-N 1 2 478.598 -0.444 20 0 JBADLO CCO[C@@]1(c2nnc(N3CCN(C(=O)NC)CC3)n2CC[NH+]2CCN(C(C)=O)CC2)CCOC1 ZINC001296647032 1070022044 /nfs/dbraw/zinc/02/20/44/1070022044.db2.gz INBXRRJIFSNLTK-QFIPXVFZSA-N 1 2 478.598 -0.444 20 0 JBADLO COc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)N2CC[NH+](C[C@H](C)O)CC2)c1OC ZINC001296728442 1070025404 /nfs/dbraw/zinc/02/54/04/1070025404.db2.gz UTQGLTBDWHCQOQ-HNNXBMFYSA-N 1 2 457.549 -0.137 20 0 JBADLO CCOCc1nnc(N2CCC([C@@]3(C)NC(=O)NC3=O)CC2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001297137131 1070027524 /nfs/dbraw/zinc/02/75/24/1070027524.db2.gz YTGLBTFLPKGUMB-JOCHJYFZSA-N 1 2 476.582 -0.207 20 0 JBADLO CCOCc1nnc(N2CCC([C@]3(C)NC(=O)NC3=O)CC2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001297137132 1070027254 /nfs/dbraw/zinc/02/72/54/1070027254.db2.gz YTGLBTFLPKGUMB-QFIPXVFZSA-N 1 2 476.582 -0.207 20 0 JBADLO CCOCc1nnc(N2CCC3(CC2)NC(=O)N(C)C3=O)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001297185068 1070027416 /nfs/dbraw/zinc/02/74/16/1070027416.db2.gz ZENPDHJWZUJWAA-UHFFFAOYSA-N 1 2 462.555 -0.501 20 0 JBADLO CCOCc1nnc(N2CCN(C(=O)C(=O)NC(C)C)CC2)n1CC1([NH+]2CCOCC2)CC1 ZINC001297256257 1070028890 /nfs/dbraw/zinc/02/88/90/1070028890.db2.gz MWFIKEOBWPNVQP-UHFFFAOYSA-N 1 2 463.583 -0.147 20 0 JBADLO COc1cccc([C@@]2(C)NC(=O)N(NC(=O)[C@@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)C2=O)c1 ZINC001297273976 1070029388 /nfs/dbraw/zinc/02/93/88/1070029388.db2.gz QLAHHYYLIGJDJW-IVZQSRNASA-N 1 2 459.503 -0.326 20 0 JBADLO COc1cccc([C@]2(C)NC(=O)N(NC(=O)[C@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)C2=O)c1 ZINC001297273978 1070029234 /nfs/dbraw/zinc/02/92/34/1070029234.db2.gz QLAHHYYLIGJDJW-NYHFZMIOSA-N 1 2 459.503 -0.326 20 0 JBADLO COc1cccc([C@@]2(C)NC(=O)N(NC(=O)[C@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)C2=O)c1 ZINC001297273980 1070029517 /nfs/dbraw/zinc/02/95/17/1070029517.db2.gz QLAHHYYLIGJDJW-OYHNWAKOSA-N 1 2 459.503 -0.326 20 0 JBADLO COc1cccc([C@]2(C)NC(=O)N(NC(=O)[C@@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)C2=O)c1 ZINC001297273981 1070029346 /nfs/dbraw/zinc/02/93/46/1070029346.db2.gz QLAHHYYLIGJDJW-QRQCRPRQSA-N 1 2 459.503 -0.326 20 0 JBADLO CCOCCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001297523873 1070032176 /nfs/dbraw/zinc/03/21/76/1070032176.db2.gz CYMZZVZXGHIGRF-DLBZAZTESA-N 1 2 460.601 -0.196 20 0 JBADLO CCOCCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001297523873 1070032165 /nfs/dbraw/zinc/03/21/65/1070032165.db2.gz CYMZZVZXGHIGRF-DLBZAZTESA-N 1 2 460.601 -0.196 20 0 JBADLO CCOCCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[N@H+]1CCOC[C@H]1C ZINC001297523874 1070032072 /nfs/dbraw/zinc/03/20/72/1070032072.db2.gz CYMZZVZXGHIGRF-IAGOWNOFSA-N 1 2 460.601 -0.196 20 0 JBADLO CCOCCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001297523874 1070032061 /nfs/dbraw/zinc/03/20/61/1070032061.db2.gz CYMZZVZXGHIGRF-IAGOWNOFSA-N 1 2 460.601 -0.196 20 0 JBADLO CCOCCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001297523875 1070031854 /nfs/dbraw/zinc/03/18/54/1070031854.db2.gz CYMZZVZXGHIGRF-IRXDYDNUSA-N 1 2 460.601 -0.196 20 0 JBADLO CCOCCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001297523875 1070031834 /nfs/dbraw/zinc/03/18/34/1070031834.db2.gz CYMZZVZXGHIGRF-IRXDYDNUSA-N 1 2 460.601 -0.196 20 0 JBADLO CCOCCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[N@H+]1CCOC[C@H]1C ZINC001297523876 1070031696 /nfs/dbraw/zinc/03/16/96/1070031696.db2.gz CYMZZVZXGHIGRF-SJORKVTESA-N 1 2 460.601 -0.196 20 0 JBADLO CCOCCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001297523876 1070031676 /nfs/dbraw/zinc/03/16/76/1070031676.db2.gz CYMZZVZXGHIGRF-SJORKVTESA-N 1 2 460.601 -0.196 20 0 JBADLO CCOCC[N@H+]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@]2(O)CCS(=O)(=O)C2)C[C@H]1CC ZINC001297596110 1070032524 /nfs/dbraw/zinc/03/25/24/1070032524.db2.gz AGDDLTCOHXHAMZ-DYESRHJHSA-N 1 2 486.639 -0.097 20 0 JBADLO CCOCC[N@@H+]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@]2(O)CCS(=O)(=O)C2)C[C@H]1CC ZINC001297596110 1070032511 /nfs/dbraw/zinc/03/25/11/1070032511.db2.gz AGDDLTCOHXHAMZ-DYESRHJHSA-N 1 2 486.639 -0.097 20 0 JBADLO CCOCC[N@H+]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@]2(O)CCS(=O)(=O)C2)C[C@@H]1CC ZINC001297596111 1070032737 /nfs/dbraw/zinc/03/27/37/1070032737.db2.gz AGDDLTCOHXHAMZ-LAUBAEHRSA-N 1 2 486.639 -0.097 20 0 JBADLO CCOCC[N@@H+]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@]2(O)CCS(=O)(=O)C2)C[C@@H]1CC ZINC001297596111 1070032719 /nfs/dbraw/zinc/03/27/19/1070032719.db2.gz AGDDLTCOHXHAMZ-LAUBAEHRSA-N 1 2 486.639 -0.097 20 0 JBADLO CCOCC[N@H+]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@]2(O)CCS(=O)(=O)C2)C[C@H]1CC ZINC001297596112 1070032878 /nfs/dbraw/zinc/03/28/78/1070032878.db2.gz AGDDLTCOHXHAMZ-UTKZUKDTSA-N 1 2 486.639 -0.097 20 0 JBADLO CCOCC[N@@H+]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@]2(O)CCS(=O)(=O)C2)C[C@H]1CC ZINC001297596112 1070032859 /nfs/dbraw/zinc/03/28/59/1070032859.db2.gz AGDDLTCOHXHAMZ-UTKZUKDTSA-N 1 2 486.639 -0.097 20 0 JBADLO CCOCC[N@H+]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@]2(O)CCS(=O)(=O)C2)C[C@@H]1CC ZINC001297596113 1070032623 /nfs/dbraw/zinc/03/26/23/1070032623.db2.gz AGDDLTCOHXHAMZ-UWJYYQICSA-N 1 2 486.639 -0.097 20 0 JBADLO CCOCC[N@@H+]1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@]2(O)CCS(=O)(=O)C2)C[C@@H]1CC ZINC001297596113 1070032613 /nfs/dbraw/zinc/03/26/13/1070032613.db2.gz AGDDLTCOHXHAMZ-UWJYYQICSA-N 1 2 486.639 -0.097 20 0 JBADLO CCOCC[N@H+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@]2(O)CCS(=O)(=O)C2)C[C@@H]1CC ZINC001297611410 1070033389 /nfs/dbraw/zinc/03/33/89/1070033389.db2.gz GEUQAFNWWHNYTH-FIKGOQFSSA-N 1 2 484.623 -0.284 20 0 JBADLO CCOCC[N@@H+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@]2(O)CCS(=O)(=O)C2)C[C@@H]1CC ZINC001297611410 1070033375 /nfs/dbraw/zinc/03/33/75/1070033375.db2.gz GEUQAFNWWHNYTH-FIKGOQFSSA-N 1 2 484.623 -0.284 20 0 JBADLO CCOCC[N@H+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@]2(O)CCS(=O)(=O)C2)C[C@H]1CC ZINC001297611492 1070033566 /nfs/dbraw/zinc/03/35/66/1070033566.db2.gz GEUQAFNWWHNYTH-LLGFUMIMSA-N 1 2 484.623 -0.284 20 0 JBADLO CCOCC[N@@H+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@]2(O)CCS(=O)(=O)C2)C[C@H]1CC ZINC001297611492 1070033550 /nfs/dbraw/zinc/03/35/50/1070033550.db2.gz GEUQAFNWWHNYTH-LLGFUMIMSA-N 1 2 484.623 -0.284 20 0 JBADLO CCOCC[N@H+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@]2(O)CCS(=O)(=O)C2)C[C@H]1CC ZINC001297611499 1070033271 /nfs/dbraw/zinc/03/32/71/1070033271.db2.gz GEUQAFNWWHNYTH-WWMYMODYSA-N 1 2 484.623 -0.284 20 0 JBADLO CCOCC[N@@H+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@]2(O)CCS(=O)(=O)C2)C[C@H]1CC ZINC001297611499 1070033263 /nfs/dbraw/zinc/03/32/63/1070033263.db2.gz GEUQAFNWWHNYTH-WWMYMODYSA-N 1 2 484.623 -0.284 20 0 JBADLO CCOCC[N@H+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@]2(O)CCS(=O)(=O)C2)C[C@@H]1CC ZINC001297611505 1070033787 /nfs/dbraw/zinc/03/37/87/1070033787.db2.gz GEUQAFNWWHNYTH-XGHQBKJUSA-N 1 2 484.623 -0.284 20 0 JBADLO CCOCC[N@@H+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@]2(O)CCS(=O)(=O)C2)C[C@@H]1CC ZINC001297611505 1070033770 /nfs/dbraw/zinc/03/37/70/1070033770.db2.gz GEUQAFNWWHNYTH-XGHQBKJUSA-N 1 2 484.623 -0.284 20 0 JBADLO CCS(=O)(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001297692054 1070035760 /nfs/dbraw/zinc/03/57/60/1070035760.db2.gz ZGNBVVXWECQKKI-CVEARBPZSA-N 1 2 478.641 -0.519 20 0 JBADLO CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001297692055 1070035559 /nfs/dbraw/zinc/03/55/59/1070035559.db2.gz ZGNBVVXWECQKKI-HOTGVXAUSA-N 1 2 478.641 -0.519 20 0 JBADLO CCS(=O)(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001297692056 1070035448 /nfs/dbraw/zinc/03/54/48/1070035448.db2.gz ZGNBVVXWECQKKI-HZPDHXFCSA-N 1 2 478.641 -0.519 20 0 JBADLO CCS(=O)(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001297692057 1070035693 /nfs/dbraw/zinc/03/56/93/1070035693.db2.gz ZGNBVVXWECQKKI-JKSUJKDBSA-N 1 2 478.641 -0.519 20 0 JBADLO CCS(=O)(=O)NCCn1c(C(=O)NC(C)C)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001297769859 1070043140 /nfs/dbraw/zinc/04/31/40/1070043140.db2.gz ICGQXHATWPRPHI-KRWDZBQOSA-N 1 2 498.654 -0.512 20 0 JBADLO CCS(=O)(=O)NCCn1c(C(=O)NC(C)C)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001297769860 1070043541 /nfs/dbraw/zinc/04/35/41/1070043541.db2.gz ICGQXHATWPRPHI-QGZVFWFLSA-N 1 2 498.654 -0.512 20 0 JBADLO CCS(=O)(=O)NCCn1c(-c2cnccn2)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001297779311 1070044301 /nfs/dbraw/zinc/04/43/01/1070044301.db2.gz LNVIFUVPDJDMAY-KRWDZBQOSA-N 1 2 491.622 -0.193 20 0 JBADLO CCS(=O)(=O)NCCn1c(-c2cnccn2)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001297779319 1070043873 /nfs/dbraw/zinc/04/38/73/1070043873.db2.gz LNVIFUVPDJDMAY-QGZVFWFLSA-N 1 2 491.622 -0.193 20 0 JBADLO CCS(=O)(=O)NCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC001297781698 1070044273 /nfs/dbraw/zinc/04/42/73/1070044273.db2.gz BAGHICKQDGUVGD-INIZCTEOSA-N 1 2 466.568 -0.213 20 0 JBADLO CCS(=O)(=O)NCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC001297781699 1070044165 /nfs/dbraw/zinc/04/41/65/1070044165.db2.gz BAGHICKQDGUVGD-MRXNPFEDSA-N 1 2 466.568 -0.213 20 0 JBADLO CN(C)C(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001297986640 1070053601 /nfs/dbraw/zinc/05/36/01/1070053601.db2.gz FHLMHCDXHNIBLM-INIZCTEOSA-N 1 2 454.597 -0.041 20 0 JBADLO CN(C)C(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001297986641 1070053926 /nfs/dbraw/zinc/05/39/26/1070053926.db2.gz FHLMHCDXHNIBLM-MRXNPFEDSA-N 1 2 454.597 -0.041 20 0 JBADLO CN(C)C(=O)Cn1c(CC[NH+]2CCN(c3ccccc3)CC2)nnc1N1CCS(=O)(=O)CC1 ZINC001298009281 1070056747 /nfs/dbraw/zinc/05/67/47/1070056747.db2.gz FHTRYIRYEOSTDJ-UHFFFAOYSA-N 1 2 475.619 -0.034 20 0 JBADLO C[NH+](C)C1(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@H](S(C)(=O)=O)C2)CCOCC1 ZINC001298048496 1070060122 /nfs/dbraw/zinc/06/01/22/1070060122.db2.gz WNGLNRFUZFRTSG-CVEARBPZSA-N 1 2 475.637 -0.086 20 0 JBADLO C[NH+](C)C1(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@H](S(C)(=O)=O)C2)CCOCC1 ZINC001298048497 1070059886 /nfs/dbraw/zinc/05/98/86/1070059886.db2.gz WNGLNRFUZFRTSG-HOTGVXAUSA-N 1 2 475.637 -0.086 20 0 JBADLO C[NH+](C)C1(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)CCOCC1 ZINC001298048498 1070060000 /nfs/dbraw/zinc/06/00/00/1070060000.db2.gz WNGLNRFUZFRTSG-HZPDHXFCSA-N 1 2 475.637 -0.086 20 0 JBADLO C[NH+](C)C1(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CC[C@@H](S(C)(=O)=O)C2)CCOCC1 ZINC001298048499 1070059820 /nfs/dbraw/zinc/05/98/20/1070059820.db2.gz WNGLNRFUZFRTSG-JKSUJKDBSA-N 1 2 475.637 -0.086 20 0 JBADLO CN(CC(=O)N1CCOCC1)c1nnc(C(=O)N2CCCC2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001298197753 1070066002 /nfs/dbraw/zinc/06/60/02/1070066002.db2.gz DDVIHKXNUOTCMZ-UHFFFAOYSA-N 1 2 463.583 -0.080 20 0 JBADLO CN(CC[NH+]1CCOCC1)c1nnc(-c2cnn(C)c2)n1C[C@H]1CCCN1S(C)(=O)=O ZINC001298736122 1070072210 /nfs/dbraw/zinc/07/22/10/1070072210.db2.gz BHAHKXVYLFVHCO-QGZVFWFLSA-N 1 2 452.585 -0.129 20 0 JBADLO CN(CC[NH+]1CCOCC1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001298736873 1070072010 /nfs/dbraw/zinc/07/20/10/1070072010.db2.gz LPMVHXFNMAOAOA-CVEARBPZSA-N 1 2 455.585 -0.721 20 0 JBADLO CN(CC[NH+]1CCOCC1)c1nnc([C@@H]2CCC(=O)N2)n1C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001298736874 1070072065 /nfs/dbraw/zinc/07/20/65/1070072065.db2.gz LPMVHXFNMAOAOA-HOTGVXAUSA-N 1 2 455.585 -0.721 20 0 JBADLO CN(CC[NH+]1CCOCC1)c1nnc([C@H]2CCC(=O)N2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001298736875 1070071587 /nfs/dbraw/zinc/07/15/87/1070071587.db2.gz LPMVHXFNMAOAOA-HZPDHXFCSA-N 1 2 455.585 -0.721 20 0 JBADLO CN(CC[NH+]1CCOCC1)c1nnc([C@H]2CCC(=O)N2)n1C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001298736876 1070071815 /nfs/dbraw/zinc/07/18/15/1070071815.db2.gz LPMVHXFNMAOAOA-JKSUJKDBSA-N 1 2 455.585 -0.721 20 0 JBADLO CN(CC[NH+]1CCOCC1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cn[nH]c1 ZINC001298737811 1070071525 /nfs/dbraw/zinc/07/15/25/1070071525.db2.gz CUNOOPPZRZWZRX-KRWDZBQOSA-N 1 2 468.584 -0.655 20 0 JBADLO CN(CC[NH+]1CCOCC1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCc1cn[nH]c1 ZINC001298737812 1070071782 /nfs/dbraw/zinc/07/17/82/1070071782.db2.gz CUNOOPPZRZWZRX-QGZVFWFLSA-N 1 2 468.584 -0.655 20 0 JBADLO CN(CC[NH+]1CCOCC1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CC=CCO1 ZINC001298738523 1070071486 /nfs/dbraw/zinc/07/14/86/1070071486.db2.gz JSMOXOHWCKXXDC-MSOLQXFVSA-N 1 2 470.596 -0.276 20 0 JBADLO CN(CC[NH+]1CCOCC1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CC=CCO1 ZINC001298738524 1070071738 /nfs/dbraw/zinc/07/17/38/1070071738.db2.gz JSMOXOHWCKXXDC-QZTJIDSGSA-N 1 2 470.596 -0.276 20 0 JBADLO CN(CC[NH+]1CCOCC1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CC=CCO1 ZINC001298738525 1070071969 /nfs/dbraw/zinc/07/19/69/1070071969.db2.gz JSMOXOHWCKXXDC-ROUUACIJSA-N 1 2 470.596 -0.276 20 0 JBADLO CN(CC[NH+]1CCOCC1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CC=CCO1 ZINC001298738526 1070072102 /nfs/dbraw/zinc/07/21/02/1070072102.db2.gz JSMOXOHWCKXXDC-ZWKOTPCHSA-N 1 2 470.596 -0.276 20 0 JBADLO CN(CC[NH+]1CCOCC1)c1nnc(CN2CCCC2=O)n1CC1(O)CCS(=O)(=O)CC1 ZINC001298740459 1070072408 /nfs/dbraw/zinc/07/24/08/1070072408.db2.gz JSYRVLCYWJONCD-UHFFFAOYSA-N 1 2 470.596 -0.891 20 0 JBADLO CN(CCNS(C)(=O)=O)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc[nH+]c1N1CCOCC1 ZINC001298743749 1070072587 /nfs/dbraw/zinc/07/25/87/1070072587.db2.gz KZBXQAOZFJTDQI-INIZCTEOSA-N 1 2 478.579 -0.506 20 0 JBADLO CN(CCNS(C)(=O)=O)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc[nH+]c1N1CCOCC1 ZINC001298743750 1070072462 /nfs/dbraw/zinc/07/24/62/1070072462.db2.gz KZBXQAOZFJTDQI-MRXNPFEDSA-N 1 2 478.579 -0.506 20 0 JBADLO CNC(=O)c1cc(O[C@H]2CCCN(C(=O)[C@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)C2)ccn1 ZINC001298774209 1070074271 /nfs/dbraw/zinc/07/42/71/1070074271.db2.gz NATGLXIURMGSRG-HKUYNNGSSA-N 1 2 459.547 -0.008 20 0 JBADLO CNC(=O)c1cc(O[C@@H]2CCCN(C(=O)[C@@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)C2)ccn1 ZINC001298774210 1070074172 /nfs/dbraw/zinc/07/41/72/1070074172.db2.gz NATGLXIURMGSRG-IEBWSBKVSA-N 1 2 459.547 -0.008 20 0 JBADLO CNC(=O)c1cc(O[C@H]2CCCN(C(=O)[C@@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)C2)ccn1 ZINC001298774211 1070073891 /nfs/dbraw/zinc/07/38/91/1070073891.db2.gz NATGLXIURMGSRG-MJGOQNOKSA-N 1 2 459.547 -0.008 20 0 JBADLO CNC(=O)c1cc(O[C@@H]2CCCN(C(=O)[C@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)C2)ccn1 ZINC001298774212 1070073669 /nfs/dbraw/zinc/07/36/69/1070073669.db2.gz NATGLXIURMGSRG-PKOBYXMFSA-N 1 2 459.547 -0.008 20 0 JBADLO CN(CCS(C)(=O)=O)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001298777211 1070074004 /nfs/dbraw/zinc/07/40/04/1070074004.db2.gz AHWNBTKHOFIYSR-INIZCTEOSA-N 1 2 463.564 -0.010 20 0 JBADLO CN(CCS(C)(=O)=O)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001298777212 1070073766 /nfs/dbraw/zinc/07/37/66/1070073766.db2.gz AHWNBTKHOFIYSR-MRXNPFEDSA-N 1 2 463.564 -0.010 20 0 JBADLO CNC(=O)[C@H](C)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc[nH+]c1N1CCOCC1 ZINC001298955558 1070082621 /nfs/dbraw/zinc/08/26/21/1070082621.db2.gz ZYEUKDGXPAWUCW-CVEARBPZSA-N 1 2 494.622 -0.014 20 0 JBADLO CNC(=O)[C@@H](C)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc[nH+]c1N1CCOCC1 ZINC001298955559 1070082841 /nfs/dbraw/zinc/08/28/41/1070082841.db2.gz ZYEUKDGXPAWUCW-HOTGVXAUSA-N 1 2 494.622 -0.014 20 0 JBADLO CNC(=O)[C@H](C)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc[nH+]c1N1CCOCC1 ZINC001298955560 1070082672 /nfs/dbraw/zinc/08/26/72/1070082672.db2.gz ZYEUKDGXPAWUCW-HZPDHXFCSA-N 1 2 494.622 -0.014 20 0 JBADLO CNC(=O)[C@@H](C)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc[nH+]c1N1CCOCC1 ZINC001298955561 1070082877 /nfs/dbraw/zinc/08/28/77/1070082877.db2.gz ZYEUKDGXPAWUCW-JKSUJKDBSA-N 1 2 494.622 -0.014 20 0 JBADLO CNC(=O)[C@]1(C)CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[NH+]2CCN(C(C)=O)CC2)C1 ZINC001299009271 1070085005 /nfs/dbraw/zinc/08/50/05/1070085005.db2.gz YZNNOHXRRZZWCQ-FOIQADDNSA-N 1 2 484.627 -0.985 20 0 JBADLO CNC(=O)[C@]1(C)CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[NH+]2CCN(C(C)=O)CC2)C1 ZINC001299009281 1070085159 /nfs/dbraw/zinc/08/51/59/1070085159.db2.gz YZNNOHXRRZZWCQ-MGPUTAFESA-N 1 2 484.627 -0.985 20 0 JBADLO CNC(=O)[C@@]1(C)CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[NH+]2CCN(C(C)=O)CC2)C1 ZINC001299009282 1070085202 /nfs/dbraw/zinc/08/52/02/1070085202.db2.gz YZNNOHXRRZZWCQ-QRWLVFNGSA-N 1 2 484.627 -0.985 20 0 JBADLO CNC(=O)[C@@]1(C)CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[NH+]2CCN(C(C)=O)CC2)C1 ZINC001299009284 1070084967 /nfs/dbraw/zinc/08/49/67/1070084967.db2.gz YZNNOHXRRZZWCQ-YWZLYKJASA-N 1 2 484.627 -0.985 20 0 JBADLO CNC(=O)[C@]1(C)CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@H+]2CCOC[C@H]2C)C1 ZINC001299021162 1070085041 /nfs/dbraw/zinc/08/50/41/1070085041.db2.gz CBQNVUXTWUESPC-CBGDNZLLSA-N 1 2 499.638 -0.706 20 0 JBADLO CNC(=O)[C@]1(C)CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@@H+]2CCOC[C@H]2C)C1 ZINC001299021162 1070085029 /nfs/dbraw/zinc/08/50/29/1070085029.db2.gz CBQNVUXTWUESPC-CBGDNZLLSA-N 1 2 499.638 -0.706 20 0 JBADLO CNC(=O)[C@]1(C)CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@H+]2CCOC[C@@H]2C)C1 ZINC001299021163 1070084836 /nfs/dbraw/zinc/08/48/36/1070084836.db2.gz CBQNVUXTWUESPC-CSODHUTKSA-N 1 2 499.638 -0.706 20 0 JBADLO CNC(=O)[C@]1(C)CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@@H+]2CCOC[C@@H]2C)C1 ZINC001299021163 1070084817 /nfs/dbraw/zinc/08/48/17/1070084817.db2.gz CBQNVUXTWUESPC-CSODHUTKSA-N 1 2 499.638 -0.706 20 0 JBADLO CNC(=O)[C@]1(C)CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@H+]2CCOC[C@H]2C)C1 ZINC001299021164 1070084683 /nfs/dbraw/zinc/08/46/83/1070084683.db2.gz CBQNVUXTWUESPC-LLGFUMIMSA-N 1 2 499.638 -0.706 20 0 JBADLO CNC(=O)[C@]1(C)CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@@H+]2CCOC[C@H]2C)C1 ZINC001299021164 1070084661 /nfs/dbraw/zinc/08/46/61/1070084661.db2.gz CBQNVUXTWUESPC-LLGFUMIMSA-N 1 2 499.638 -0.706 20 0 JBADLO CNC(=O)[C@]1(C)CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@H+]2CCOC[C@@H]2C)C1 ZINC001299021165 1070085085 /nfs/dbraw/zinc/08/50/85/1070085085.db2.gz CBQNVUXTWUESPC-XGHQBKJUSA-N 1 2 499.638 -0.706 20 0 JBADLO CNC(=O)[C@]1(C)CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@@H+]2CCOC[C@@H]2C)C1 ZINC001299021165 1070085076 /nfs/dbraw/zinc/08/50/76/1070085076.db2.gz CBQNVUXTWUESPC-XGHQBKJUSA-N 1 2 499.638 -0.706 20 0 JBADLO CNC(=O)[C@@H]1CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[NH+]2CCN(C(C)=O)CC2)C1 ZINC001299068997 1070086846 /nfs/dbraw/zinc/08/68/46/1070086846.db2.gz RDTYEPHPACOYAL-DOTOQJQBSA-N 1 2 484.627 -0.985 20 0 JBADLO CNC(=O)[C@@H]1CCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[NH+]2CCN(C(C)=O)CC2)C1 ZINC001299068998 1070086962 /nfs/dbraw/zinc/08/69/62/1070086962.db2.gz RDTYEPHPACOYAL-NVXWUHKLSA-N 1 2 484.627 -0.985 20 0 JBADLO CNC(=O)[C@H]1CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[NH+]2CCN(C(C)=O)CC2)C1 ZINC001299068999 1070086728 /nfs/dbraw/zinc/08/67/28/1070086728.db2.gz RDTYEPHPACOYAL-RDJZCZTQSA-N 1 2 484.627 -0.985 20 0 JBADLO CNC(=O)[C@H]1CCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[NH+]2CCN(C(C)=O)CC2)C1 ZINC001299069000 1070086878 /nfs/dbraw/zinc/08/68/78/1070086878.db2.gz RDTYEPHPACOYAL-WBVHZDCISA-N 1 2 484.627 -0.985 20 0 JBADLO CNC(=O)[C@@H]1CCCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C)[NH+]2CCOCC2)C1 ZINC001299085739 1070087692 /nfs/dbraw/zinc/08/76/92/1070087692.db2.gz NROARJDJUCOCMI-KSZLIROESA-N 1 2 499.638 -0.706 20 0 JBADLO CNC(=O)[C@@H]1CCCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)[NH+]2CCOCC2)C1 ZINC001299085740 1070087756 /nfs/dbraw/zinc/08/77/56/1070087756.db2.gz NROARJDJUCOCMI-KURKYZTESA-N 1 2 499.638 -0.706 20 0 JBADLO CNC(=O)[C@@H]1CCCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)[NH+]2CCOCC2)C1 ZINC001299085741 1070087598 /nfs/dbraw/zinc/08/75/98/1070087598.db2.gz NROARJDJUCOCMI-KZNAEPCWSA-N 1 2 499.638 -0.706 20 0 JBADLO CNC(=O)[C@@H]1CCCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C)[NH+]2CCOCC2)C1 ZINC001299085742 1070087469 /nfs/dbraw/zinc/08/74/69/1070087469.db2.gz NROARJDJUCOCMI-RCCFBDPRSA-N 1 2 499.638 -0.706 20 0 JBADLO CNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[N@H+]2CCOC[C@H]2C)CC1 ZINC001299102291 1070088384 /nfs/dbraw/zinc/08/83/84/1070088384.db2.gz FKJZVNKQRRNVOA-CABCVRRESA-N 1 2 457.601 -0.429 20 0 JBADLO CNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[N@@H+]2CCOC[C@H]2C)CC1 ZINC001299102291 1070088368 /nfs/dbraw/zinc/08/83/68/1070088368.db2.gz FKJZVNKQRRNVOA-CABCVRRESA-N 1 2 457.601 -0.429 20 0 JBADLO CNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[N@H+]2CCOC[C@@H]2C)CC1 ZINC001299102292 1070088507 /nfs/dbraw/zinc/08/85/07/1070088507.db2.gz FKJZVNKQRRNVOA-GJZGRUSLSA-N 1 2 457.601 -0.429 20 0 JBADLO CNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC001299102292 1070088495 /nfs/dbraw/zinc/08/84/95/1070088495.db2.gz FKJZVNKQRRNVOA-GJZGRUSLSA-N 1 2 457.601 -0.429 20 0 JBADLO CNC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[N@H+]2CCOC[C@H]2C)CC1 ZINC001299102293 1070088252 /nfs/dbraw/zinc/08/82/52/1070088252.db2.gz FKJZVNKQRRNVOA-HUUCEWRRSA-N 1 2 457.601 -0.429 20 0 JBADLO CNC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[N@@H+]2CCOC[C@H]2C)CC1 ZINC001299102293 1070088236 /nfs/dbraw/zinc/08/82/36/1070088236.db2.gz FKJZVNKQRRNVOA-HUUCEWRRSA-N 1 2 457.601 -0.429 20 0 JBADLO CNC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[N@H+]2CCOC[C@@H]2C)CC1 ZINC001299102294 1070088174 /nfs/dbraw/zinc/08/81/74/1070088174.db2.gz FKJZVNKQRRNVOA-LSDHHAIUSA-N 1 2 457.601 -0.429 20 0 JBADLO CNC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC001299102294 1070088160 /nfs/dbraw/zinc/08/81/60/1070088160.db2.gz FKJZVNKQRRNVOA-LSDHHAIUSA-N 1 2 457.601 -0.429 20 0 JBADLO CNC(=O)[C@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2cn3ccccc3[nH+]2)CCO1 ZINC001299127220 1070090347 /nfs/dbraw/zinc/09/03/47/1070090347.db2.gz DWJIMMWLSBEHMD-GDBMZVCRSA-N 1 2 476.563 -0.270 20 0 JBADLO CNC(=O)[C@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2cn3ccccc3[nH+]2)CCO1 ZINC001299127221 1070090106 /nfs/dbraw/zinc/09/01/06/1070090106.db2.gz DWJIMMWLSBEHMD-GOEBONIOSA-N 1 2 476.563 -0.270 20 0 JBADLO CNC(=O)[C@@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2cn3ccccc3[nH+]2)CCO1 ZINC001299127222 1070089988 /nfs/dbraw/zinc/08/99/88/1070089988.db2.gz DWJIMMWLSBEHMD-HOCLYGCPSA-N 1 2 476.563 -0.270 20 0 JBADLO CNC(=O)[C@@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CCc2cn3ccccc3[nH+]2)CCO1 ZINC001299127223 1070090190 /nfs/dbraw/zinc/09/01/90/1070090190.db2.gz DWJIMMWLSBEHMD-ZBFHGGJFSA-N 1 2 476.563 -0.270 20 0 JBADLO CNC(=O)[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2Cc2ccc[nH+]c2N2CCOCC2)CCO1 ZINC001299128968 1070092143 /nfs/dbraw/zinc/09/21/43/1070092143.db2.gz RIKGFNMLEUASMB-KRWDZBQOSA-N 1 2 472.550 -0.353 20 0 JBADLO CNC(=O)[C@H]1CN(c2nnc(C(=O)NC(C)C)n2Cc2ccc[nH+]c2N2CCOCC2)CCO1 ZINC001299128970 1070092345 /nfs/dbraw/zinc/09/23/45/1070092345.db2.gz RIKGFNMLEUASMB-QGZVFWFLSA-N 1 2 472.550 -0.353 20 0 JBADLO CNC(=O)CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](C)[NH+]2CCOCC2)CC1 ZINC001299158789 1067669693 /nfs/dbraw/zinc/66/96/93/1067669693.db2.gz VMRHNZZFWHMFHD-CVEARBPZSA-N 1 2 471.628 -0.039 20 0 JBADLO CNC(=O)CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](C)[NH+]2CCOCC2)CC1 ZINC001299158790 1067669655 /nfs/dbraw/zinc/66/96/55/1067669655.db2.gz VMRHNZZFWHMFHD-HOTGVXAUSA-N 1 2 471.628 -0.039 20 0 JBADLO CNC(=O)CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](C)[NH+]2CCOCC2)CC1 ZINC001299158791 1067669831 /nfs/dbraw/zinc/66/98/31/1067669831.db2.gz VMRHNZZFWHMFHD-HZPDHXFCSA-N 1 2 471.628 -0.039 20 0 JBADLO CNC(=O)CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](C)[NH+]2CCOCC2)CC1 ZINC001299158792 1067669862 /nfs/dbraw/zinc/66/98/62/1067669862.db2.gz VMRHNZZFWHMFHD-JKSUJKDBSA-N 1 2 471.628 -0.039 20 0 JBADLO CNC(=O)CC1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC[NH+]2CCN(C(C)=O)CC2)CC1 ZINC001299169261 1067731195 /nfs/dbraw/zinc/73/11/95/1067731195.db2.gz VEEHNAYSZMWIGB-GOSISDBHSA-N 1 2 460.583 -0.254 20 0 JBADLO CNC(=O)CC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[NH+]2CCN(C(C)=O)CC2)CC1 ZINC001299169264 1067731016 /nfs/dbraw/zinc/73/10/16/1067731016.db2.gz VEEHNAYSZMWIGB-SFHVURJKSA-N 1 2 460.583 -0.254 20 0 JBADLO CNC(=O)CCn1c(CN2CCCC2=O)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001299260243 1068355312 /nfs/dbraw/zinc/35/53/12/1068355312.db2.gz NOJSMABSLBRQNW-KRWDZBQOSA-N 1 2 460.583 -0.331 20 0 JBADLO CNC(=O)CCn1c(CN2CCCC2=O)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001299260245 1068354984 /nfs/dbraw/zinc/35/49/84/1068354984.db2.gz NOJSMABSLBRQNW-QGZVFWFLSA-N 1 2 460.583 -0.331 20 0 JBADLO CC(C)(C)OC(=O)[C@@H]1CS(=O)(=O)CCN1C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001299266386 1068356117 /nfs/dbraw/zinc/35/61/17/1068356117.db2.gz SSBMTPGCFMSBMZ-CVEARBPZSA-N 1 2 459.565 -0.866 20 0 JBADLO CC(C)(C)OC(=O)[C@@H]1CS(=O)(=O)CCN1C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001299266394 1068355704 /nfs/dbraw/zinc/35/57/04/1068355704.db2.gz SSBMTPGCFMSBMZ-HOTGVXAUSA-N 1 2 459.565 -0.866 20 0 JBADLO CC(C)(C)OC(=O)[C@H]1CS(=O)(=O)CCN1C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001299266396 1068355914 /nfs/dbraw/zinc/35/59/14/1068355914.db2.gz SSBMTPGCFMSBMZ-HZPDHXFCSA-N 1 2 459.565 -0.866 20 0 JBADLO CC(C)(C)OC(=O)[C@H]1CS(=O)(=O)CCN1C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001299266398 1068356016 /nfs/dbraw/zinc/35/60/16/1068356016.db2.gz SSBMTPGCFMSBMZ-JKSUJKDBSA-N 1 2 459.565 -0.866 20 0 JBADLO CNC(=O)N1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(N(C)C)[nH+]c2)CC1 ZINC001299269317 1068400422 /nfs/dbraw/zinc/40/04/22/1068400422.db2.gz PUNPBZWVQMQWMO-AWEZNQCLSA-N 1 2 465.584 -0.141 20 0 JBADLO CNC(=O)N1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(N(C)C)[nH+]c2)CC1 ZINC001299269319 1068400472 /nfs/dbraw/zinc/40/04/72/1068400472.db2.gz PUNPBZWVQMQWMO-CQSZACIVSA-N 1 2 465.584 -0.141 20 0 JBADLO CNC(=O)N1CCN(c2nnc([C@H](C)OCCOC)n2CC[NH+]2CCN(C(C)=O)CC2)CC1 ZINC001299270494 1068404877 /nfs/dbraw/zinc/40/48/77/1068404877.db2.gz WFHOSAFVRUDHRD-KRWDZBQOSA-N 1 2 466.587 -0.372 20 0 JBADLO CNC(=O)N1CCN(c2nnc([C@@H](C)OCCOC)n2CC[NH+]2CCN(C(C)=O)CC2)CC1 ZINC001299270496 1068404866 /nfs/dbraw/zinc/40/48/66/1068404866.db2.gz WFHOSAFVRUDHRD-QGZVFWFLSA-N 1 2 466.587 -0.372 20 0 JBADLO CNC(=O)N1CCN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC[NH+]2CCN(C(C)=O)CC2)CC1 ZINC001299270614 1068404933 /nfs/dbraw/zinc/40/49/33/1068404933.db2.gz JUIUIASBTNHNGP-HSZRJFAPSA-N 1 2 492.625 -0.056 20 0 JBADLO CNC(=O)N1CCN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC[NH+]2CCN(C(C)=O)CC2)CC1 ZINC001299270617 1068404886 /nfs/dbraw/zinc/40/48/86/1068404886.db2.gz JUIUIASBTNHNGP-QHCPKHFHSA-N 1 2 492.625 -0.056 20 0 JBADLO CNS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001299297789 1068436233 /nfs/dbraw/zinc/43/62/33/1068436233.db2.gz YEQPBFPVKDTSQH-UHFFFAOYSA-N 1 2 450.569 -0.011 20 0 JBADLO CNS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CC[NH+](CC(=O)N2CCCC[C@@H]2C)CC1 ZINC001299305029 1068477004 /nfs/dbraw/zinc/47/70/04/1068477004.db2.gz CFCCVBFXBGFPHN-KRWDZBQOSA-N 1 2 493.638 -0.249 20 0 JBADLO CNS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CC[NH+](CC(=O)N2CCCC[C@H]2C)CC1 ZINC001299305031 1068476810 /nfs/dbraw/zinc/47/68/10/1068476810.db2.gz CFCCVBFXBGFPHN-QGZVFWFLSA-N 1 2 493.638 -0.249 20 0 JBADLO CNS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001299305053 1068477062 /nfs/dbraw/zinc/47/70/62/1068477062.db2.gz CSXIMHWNYVHGJF-INIZCTEOSA-N 1 2 479.611 -0.639 20 0 JBADLO CNS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001299305056 1068476957 /nfs/dbraw/zinc/47/69/57/1068476957.db2.gz CSXIMHWNYVHGJF-MRXNPFEDSA-N 1 2 479.611 -0.639 20 0 JBADLO CNS(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC001299307880 1068477727 /nfs/dbraw/zinc/47/77/27/1068477727.db2.gz FCRFCZGDUGJJAC-UHFFFAOYSA-N 1 2 462.580 -0.366 20 0 JBADLO CNS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001299317236 1068481034 /nfs/dbraw/zinc/48/10/34/1068481034.db2.gz MQATVMWXGMMTHO-UHFFFAOYSA-N 1 2 463.568 -0.625 20 0 JBADLO COCC(COC)[NH+]1CCN(C(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001299317876 1068481114 /nfs/dbraw/zinc/48/11/14/1068481114.db2.gz DFEQYYWATLPJEL-BHIYHBOVSA-N 1 2 459.609 -0.098 20 0 JBADLO COCC(COC)[NH+]1CCN(C(=O)[C@@H]2CCCC[C@@H]2C(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001299317878 1068481211 /nfs/dbraw/zinc/48/12/11/1068481211.db2.gz DFEQYYWATLPJEL-NZSAHSFTSA-N 1 2 459.609 -0.098 20 0 JBADLO COCC(COC)[NH+]1CCN(C(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)CC1 ZINC001299317881 1068481171 /nfs/dbraw/zinc/48/11/71/1068481171.db2.gz DFEQYYWATLPJEL-QXAKKESOSA-N 1 2 459.609 -0.098 20 0 JBADLO COCC(COC)[NH+]1CCN(C(=O)[C@@H]2CCCC[C@@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)CC1 ZINC001299317883 1068481896 /nfs/dbraw/zinc/48/18/96/1068481896.db2.gz DFEQYYWATLPJEL-YTQUADARSA-N 1 2 459.609 -0.098 20 0 JBADLO COC(=O)[C@@H]1CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[NH+]2CCN(C(C)=O)CC2)C1 ZINC001299325089 1068629439 /nfs/dbraw/zinc/62/94/39/1068629439.db2.gz FDRNPKRMQIVWOP-DOTOQJQBSA-N 1 2 485.611 -0.558 20 0 JBADLO COC(=O)[C@@H]1CCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[NH+]2CCN(C(C)=O)CC2)C1 ZINC001299325090 1068629452 /nfs/dbraw/zinc/62/94/52/1068629452.db2.gz FDRNPKRMQIVWOP-NVXWUHKLSA-N 1 2 485.611 -0.558 20 0 JBADLO COC(=O)[C@H]1CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[NH+]2CCN(C(C)=O)CC2)C1 ZINC001299325094 1068629530 /nfs/dbraw/zinc/62/95/30/1068629530.db2.gz FDRNPKRMQIVWOP-RDJZCZTQSA-N 1 2 485.611 -0.558 20 0 JBADLO COC(=O)[C@H]1CCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[NH+]2CCN(C(C)=O)CC2)C1 ZINC001299325095 1068629405 /nfs/dbraw/zinc/62/94/05/1068629405.db2.gz FDRNPKRMQIVWOP-WBVHZDCISA-N 1 2 485.611 -0.558 20 0 JBADLO COC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](C)[NH+]2CCOCC2)CC1 ZINC001299357162 1069020101 /nfs/dbraw/zinc/02/01/01/1069020101.db2.gz SQRHKPFOCREJOY-CABCVRRESA-N 1 2 458.585 -0.002 20 0 JBADLO COC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](C)[NH+]2CCOCC2)CC1 ZINC001299357163 1069020616 /nfs/dbraw/zinc/02/06/16/1069020616.db2.gz SQRHKPFOCREJOY-GJZGRUSLSA-N 1 2 458.585 -0.002 20 0 JBADLO COC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](C)[NH+]2CCOCC2)CC1 ZINC001299357164 1069020551 /nfs/dbraw/zinc/02/05/51/1069020551.db2.gz SQRHKPFOCREJOY-HUUCEWRRSA-N 1 2 458.585 -0.002 20 0 JBADLO COC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](C)[NH+]2CCOCC2)CC1 ZINC001299357165 1069020155 /nfs/dbraw/zinc/02/01/55/1069020155.db2.gz SQRHKPFOCREJOY-LSDHHAIUSA-N 1 2 458.585 -0.002 20 0 JBADLO COC(=O)C[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CC[N@H+]2CCOC(C)(C)C2)C[C@H]1O ZINC001299402644 1069021192 /nfs/dbraw/zinc/02/11/92/1069021192.db2.gz DMWLWRSYHTWHSO-IAGOWNOFSA-N 1 2 464.567 -0.015 20 0 JBADLO COC(=O)C[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CC[N@@H+]2CCOC(C)(C)C2)C[C@H]1O ZINC001299402644 1069021183 /nfs/dbraw/zinc/02/11/83/1069021183.db2.gz DMWLWRSYHTWHSO-IAGOWNOFSA-N 1 2 464.567 -0.015 20 0 JBADLO COC(=O)N1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC[NH+]2CCN(C(C)=O)CC2)C[C@@H]1C ZINC001299442788 1069023667 /nfs/dbraw/zinc/02/36/67/1069023667.db2.gz JQBFYKKVOVKGGK-DOTOQJQBSA-N 1 2 462.555 -0.330 20 0 JBADLO COC(=O)N1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[NH+]2CCN(C(C)=O)CC2)C[C@@H]1C ZINC001299442789 1069023922 /nfs/dbraw/zinc/02/39/22/1069023922.db2.gz JQBFYKKVOVKGGK-RDJZCZTQSA-N 1 2 462.555 -0.330 20 0 JBADLO COc1cc[nH+]cc1Cn1c(C(=O)NC(C)C)nnc1N1CCN(C(=O)CN2CCOCC2)CC1 ZINC001300686430 1070658735 /nfs/dbraw/zinc/65/87/35/1070658735.db2.gz DNBGPRSZQVOBAD-UHFFFAOYSA-N 1 2 486.577 -0.151 20 0 JBADLO COc1cc[nH+]cc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](S(C)(=O)=O)C1 ZINC001300686866 1070658860 /nfs/dbraw/zinc/65/88/60/1070658860.db2.gz IDDNFLBXTWLKOX-GXTWGEPZSA-N 1 2 458.566 -0.037 20 0 JBADLO COc1cc[nH+]cc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](S(C)(=O)=O)C1 ZINC001300686867 1070658665 /nfs/dbraw/zinc/65/86/65/1070658665.db2.gz IDDNFLBXTWLKOX-JSGCOSHPSA-N 1 2 458.566 -0.037 20 0 JBADLO COc1cc[nH+]cc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](S(C)(=O)=O)C1 ZINC001300686868 1070658753 /nfs/dbraw/zinc/65/87/53/1070658753.db2.gz IDDNFLBXTWLKOX-OCCSQVGLSA-N 1 2 458.566 -0.037 20 0 JBADLO COc1cc[nH+]cc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](S(C)(=O)=O)C1 ZINC001300686869 1070658566 /nfs/dbraw/zinc/65/85/66/1070658566.db2.gz IDDNFLBXTWLKOX-TZMCWYRMSA-N 1 2 458.566 -0.037 20 0 JBADLO COCC(=O)N1CCN(c2nnc(C(=O)NC(C)C)n2CC[N@H+]2CCOCC2(C)C)CC1 ZINC001300874929 1070103596 /nfs/dbraw/zinc/10/35/96/1070103596.db2.gz UYNFFAUYAWBDRN-UHFFFAOYSA-N 1 2 451.572 -0.178 20 0 JBADLO COCC(=O)N1CCN(c2nnc(C(=O)NC(C)C)n2CC[N@@H+]2CCOCC2(C)C)CC1 ZINC001300874929 1070103592 /nfs/dbraw/zinc/10/35/92/1070103592.db2.gz UYNFFAUYAWBDRN-UHFFFAOYSA-N 1 2 451.572 -0.178 20 0 JBADLO COCC(=O)N1CCN(c2nnc(Cc3ccccn3)n2CC[NH+]2CCN(C(C)=O)CC2)CC1 ZINC001300893601 1070106451 /nfs/dbraw/zinc/10/64/51/1070106451.db2.gz XDDOTTJDFYXWJQ-UHFFFAOYSA-N 1 2 470.578 -0.277 20 0 JBADLO COC(=O)[C@@]1(N2CCN(C(=O)CCC(=O)N3CCN(c4cccc[nH+]4)CC3)CC2)CCOC1 ZINC001301073546 1070116178 /nfs/dbraw/zinc/11/61/78/1070116178.db2.gz VDLLGDDKRIXAJE-HSZRJFAPSA-N 1 2 459.547 -0.013 20 0 JBADLO COC(=O)[C@]1(N2CCN(C(=O)CCC(=O)N3CCN(c4cccc[nH+]4)CC3)CC2)CCOC1 ZINC001301073547 1070116429 /nfs/dbraw/zinc/11/64/29/1070116429.db2.gz VDLLGDDKRIXAJE-QHCPKHFHSA-N 1 2 459.547 -0.013 20 0 JBADLO COCC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[NH+]2CCN(C(C)=O)CC2)CC1 ZINC001301291683 1070118823 /nfs/dbraw/zinc/11/88/23/1070118823.db2.gz SYLGBHPWURAQPR-INIZCTEOSA-N 1 2 471.628 -0.085 20 0 JBADLO COCC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[NH+]2CCN(C(C)=O)CC2)CC1 ZINC001301291684 1070118808 /nfs/dbraw/zinc/11/88/08/1070118808.db2.gz SYLGBHPWURAQPR-MRXNPFEDSA-N 1 2 471.628 -0.085 20 0 JBADLO COC[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[NH+]2CCN(C(C)=O)CC2)C1 ZINC001301321534 1070118929 /nfs/dbraw/zinc/11/89/29/1070118929.db2.gz MAHYMHFPUTYWFI-MOPGFXCFSA-N 1 2 499.638 -0.752 20 0 JBADLO COC[C@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[NH+]2CCN(C(C)=O)CC2)C1 ZINC001301321537 1070118850 /nfs/dbraw/zinc/11/88/50/1070118850.db2.gz MAHYMHFPUTYWFI-OALUTQOASA-N 1 2 499.638 -0.752 20 0 JBADLO COC[C@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC[NH+]2CCN(C(C)=O)CC2)C1 ZINC001301321538 1070118982 /nfs/dbraw/zinc/11/89/82/1070118982.db2.gz MAHYMHFPUTYWFI-RBUKOAKNSA-N 1 2 499.638 -0.752 20 0 JBADLO COC[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC[NH+]2CCN(C(C)=O)CC2)C1 ZINC001301321539 1070118907 /nfs/dbraw/zinc/11/89/07/1070118907.db2.gz MAHYMHFPUTYWFI-RTBURBONSA-N 1 2 499.638 -0.752 20 0 JBADLO COC[C@@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[NH+]2CCN(C(C)=O)CC2)C[C@H](C)O1 ZINC001301352069 1070120715 /nfs/dbraw/zinc/12/07/15/1070120715.db2.gz HPVKFUMCAGSWIN-BQFCYCMXSA-N 1 2 487.627 -0.708 20 0 JBADLO COC[C@@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[NH+]2CCN(C(C)=O)CC2)C[C@H](C)O1 ZINC001301352070 1070120675 /nfs/dbraw/zinc/12/06/75/1070120675.db2.gz HPVKFUMCAGSWIN-JZXOWHBKSA-N 1 2 487.627 -0.708 20 0 JBADLO COC[C@@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[NH+]2CCN(C(C)=O)CC2)C[C@@H](C)O1 ZINC001301352071 1070120586 /nfs/dbraw/zinc/12/05/86/1070120586.db2.gz HPVKFUMCAGSWIN-NUJGCVRESA-N 1 2 487.627 -0.708 20 0 JBADLO COC[C@@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[NH+]2CCN(C(C)=O)CC2)C[C@@H](C)O1 ZINC001301352072 1070120538 /nfs/dbraw/zinc/12/05/38/1070120538.db2.gz HPVKFUMCAGSWIN-RYRKJORJSA-N 1 2 487.627 -0.708 20 0 JBADLO COCCCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001301603706 1070133558 /nfs/dbraw/zinc/13/35/58/1070133558.db2.gz PKYLSKHRWULALI-DLBZAZTESA-N 1 2 460.601 -0.196 20 0 JBADLO COCCCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001301603710 1070133652 /nfs/dbraw/zinc/13/36/52/1070133652.db2.gz PKYLSKHRWULALI-IAGOWNOFSA-N 1 2 460.601 -0.196 20 0 JBADLO COCCCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001301603711 1070133508 /nfs/dbraw/zinc/13/35/08/1070133508.db2.gz PKYLSKHRWULALI-IRXDYDNUSA-N 1 2 460.601 -0.196 20 0 JBADLO COCCCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001301603712 1070133609 /nfs/dbraw/zinc/13/36/09/1070133609.db2.gz PKYLSKHRWULALI-SJORKVTESA-N 1 2 460.601 -0.196 20 0 JBADLO COCCCNC(=O)[C@@H](C)N1CCN(c2nnc(C)n2CC[NH+]2CCN(C(C)=O)CC2)CC1 ZINC001301661262 1070137925 /nfs/dbraw/zinc/13/79/25/1070137925.db2.gz UITAJEBOVHZEMX-GOSISDBHSA-N 1 2 464.615 -0.586 20 0 JBADLO COCCCNC(=O)[C@H](C)N1CCN(c2nnc(C)n2CC[NH+]2CCN(C(C)=O)CC2)CC1 ZINC001301661272 1070138034 /nfs/dbraw/zinc/13/80/34/1070138034.db2.gz UITAJEBOVHZEMX-SFHVURJKSA-N 1 2 464.615 -0.586 20 0 JBADLO CC(=O)N1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2([NH+]3CCOCC3)CC2)CC1 ZINC001301715000 1070143291 /nfs/dbraw/zinc/14/32/91/1070143291.db2.gz RGNTXKFAJJNDOC-HNNXBMFYSA-N 1 2 455.585 -0.578 20 0 JBADLO CC(=O)N1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2([NH+]3CCOCC3)CC2)CC1 ZINC001301715005 1070143109 /nfs/dbraw/zinc/14/31/09/1070143109.db2.gz RGNTXKFAJJNDOC-OAHLLOKOSA-N 1 2 455.585 -0.578 20 0 JBADLO O=C(N[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCCC[C@H]1C(=O)N1CCO[C@@H](C[NH+]2CCOCC2)C1 ZINC001301735609 1070145152 /nfs/dbraw/zinc/14/51/52/1070145152.db2.gz BCAVTYTUFTWPGL-FCGDIQPGSA-N 1 2 457.593 -0.344 20 0 JBADLO O=C(N[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCCC[C@@H]1C(=O)N1CCO[C@@H](C[NH+]2CCOCC2)C1 ZINC001301735610 1070146124 /nfs/dbraw/zinc/14/61/24/1070146124.db2.gz BCAVTYTUFTWPGL-HCXYKTFWSA-N 1 2 457.593 -0.344 20 0 JBADLO O=C(N[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCCC[C@@H]1C(=O)N1CCO[C@H](C[NH+]2CCOCC2)C1 ZINC001301735611 1070146275 /nfs/dbraw/zinc/14/62/75/1070146275.db2.gz BCAVTYTUFTWPGL-MKXGPGLRSA-N 1 2 457.593 -0.344 20 0 JBADLO O=C(N[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCCC[C@H]1C(=O)N1CCO[C@H](C[NH+]2CCOCC2)C1 ZINC001301735612 1070146208 /nfs/dbraw/zinc/14/62/08/1070146208.db2.gz BCAVTYTUFTWPGL-NCXUSEDFSA-N 1 2 457.593 -0.344 20 0 JBADLO CC(=O)N1CC[NH+](CCn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)CC(=O)NC(C)(C)C)CC1 ZINC001301763108 1070150188 /nfs/dbraw/zinc/15/01/88/1070150188.db2.gz CFUYONAQSNUELJ-HNNXBMFYSA-N 1 2 486.643 -0.597 20 0 JBADLO CC(=O)N1CC[NH+](CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)CC(=O)NC(C)(C)C)CC1 ZINC001301763109 1070150288 /nfs/dbraw/zinc/15/02/88/1070150288.db2.gz CFUYONAQSNUELJ-OAHLLOKOSA-N 1 2 486.643 -0.597 20 0 JBADLO CC(=O)N1CC[NH+](CCn2c(C)nnc2N2CCN(CC(=O)Nc3cc(C)on3)CC2)CC1 ZINC001301763698 1070150320 /nfs/dbraw/zinc/15/03/20/1070150320.db2.gz HVIPSFOJSWAJCA-UHFFFAOYSA-N 1 2 459.555 -0.192 20 0 JBADLO CC(=O)N1CC[NH+](CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@H](C)O[C@@]3(CCOC3)C2)CC1 ZINC001301763717 1070150209 /nfs/dbraw/zinc/15/02/09/1070150209.db2.gz IARPEQFEZKIYEL-FIKGOQFSSA-N 1 2 499.638 -0.563 20 0 JBADLO CC(=O)N1CC[NH+](CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@@H](C)O[C@]3(CCOC3)C2)CC1 ZINC001301763720 1070150334 /nfs/dbraw/zinc/15/03/34/1070150334.db2.gz IARPEQFEZKIYEL-LLGFUMIMSA-N 1 2 499.638 -0.563 20 0 JBADLO CC(=O)N1CC[NH+](CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@@H](C)O[C@@]3(CCOC3)C2)CC1 ZINC001301763721 1070150224 /nfs/dbraw/zinc/15/02/24/1070150224.db2.gz IARPEQFEZKIYEL-WWMYMODYSA-N 1 2 499.638 -0.563 20 0 JBADLO CC(=O)N1CC[NH+](CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@H](C)O[C@]3(CCOC3)C2)CC1 ZINC001301763722 1070150152 /nfs/dbraw/zinc/15/01/52/1070150152.db2.gz IARPEQFEZKIYEL-XGHQBKJUSA-N 1 2 499.638 -0.563 20 0 JBADLO CC(=O)N1CC[NH+](CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(C(=O)C(C)C)CC2)CC1 ZINC001301763946 1070151302 /nfs/dbraw/zinc/15/13/02/1070151302.db2.gz KVUALCASUDPXNK-KRWDZBQOSA-N 1 2 498.654 -0.643 20 0 JBADLO CC(=O)N1CC[NH+](CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(C(=O)C(C)C)CC2)CC1 ZINC001301763947 1070151387 /nfs/dbraw/zinc/15/13/87/1070151387.db2.gz KVUALCASUDPXNK-QGZVFWFLSA-N 1 2 498.654 -0.643 20 0 JBADLO CC(=O)N1CC[NH+](CCn2c(C)nnc2N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)CC1 ZINC001301765724 1070151996 /nfs/dbraw/zinc/15/19/96/1070151996.db2.gz YRJIJRSTAROOMO-IBGZPJMESA-N 1 2 469.612 -0.619 20 0 JBADLO CC(=O)N1CC[NH+](CCn2c(C)nnc2N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)CC1 ZINC001301765742 1070151823 /nfs/dbraw/zinc/15/18/23/1070151823.db2.gz YRJIJRSTAROOMO-LJQANCHMSA-N 1 2 469.612 -0.619 20 0 JBADLO CC(=O)N1CC[NH+](CCn2c([C@@H]3CCC(=O)N3)nnc2N2CCN(CC(F)F)CC2)CC1 ZINC001301766076 1070151866 /nfs/dbraw/zinc/15/18/66/1070151866.db2.gz CAWRQBJUAWNGII-INIZCTEOSA-N 1 2 454.526 -0.220 20 0 JBADLO CC(=O)N1CC[NH+](CCn2c([C@H]3CCC(=O)N3)nnc2N2CCN(CC(F)F)CC2)CC1 ZINC001301766077 1070152056 /nfs/dbraw/zinc/15/20/56/1070152056.db2.gz CAWRQBJUAWNGII-MRXNPFEDSA-N 1 2 454.526 -0.220 20 0 JBADLO CC(=O)N1CC[C@H](CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CC[NH+]2CCN(C(C)=O)CC2)C1 ZINC001301766375 1070151888 /nfs/dbraw/zinc/15/18/88/1070151888.db2.gz GZYBTUKSESBPDL-MOPGFXCFSA-N 1 2 460.583 -0.302 20 0 JBADLO CC(=O)N1CC[C@@H](CN(C)c2nnc([C@@H]3CCC(=O)N3)n2CC[NH+]2CCN(C(C)=O)CC2)C1 ZINC001301766376 1070151769 /nfs/dbraw/zinc/15/17/69/1070151769.db2.gz GZYBTUKSESBPDL-OALUTQOASA-N 1 2 460.583 -0.302 20 0 JBADLO CC(=O)N1CC[C@@H](CN(C)c2nnc([C@H]3CCC(=O)N3)n2CC[NH+]2CCN(C(C)=O)CC2)C1 ZINC001301766377 1070152012 /nfs/dbraw/zinc/15/20/12/1070152012.db2.gz GZYBTUKSESBPDL-RBUKOAKNSA-N 1 2 460.583 -0.302 20 0 JBADLO CC(=O)N1CC[C@H](CN(C)c2nnc([C@H]3CCC(=O)N3)n2CC[NH+]2CCN(C(C)=O)CC2)C1 ZINC001301766378 1070151920 /nfs/dbraw/zinc/15/19/20/1070151920.db2.gz GZYBTUKSESBPDL-RTBURBONSA-N 1 2 460.583 -0.302 20 0 JBADLO CC(=O)N1CC[NH+](CCn2c([C@@H]3CCC(=O)N3)nnc2N(C)Cc2ncnn2CC(F)F)CC1 ZINC001301767174 1070153156 /nfs/dbraw/zinc/15/31/56/1070153156.db2.gz NTNYQPKXNKXZAL-HNNXBMFYSA-N 1 2 480.524 -0.114 20 0 JBADLO CC(=O)N1CC[NH+](CCn2c([C@H]3CCC(=O)N3)nnc2N(C)Cc2ncnn2CC(F)F)CC1 ZINC001301767189 1070153118 /nfs/dbraw/zinc/15/31/18/1070153118.db2.gz NTNYQPKXNKXZAL-OAHLLOKOSA-N 1 2 480.524 -0.114 20 0 JBADLO CC(=O)N1CC[NH+](CCn2c([C@H]3CCOC3)nnc2N2CCN(CC(=O)NC(C)C)CC2)CC1 ZINC001301770350 1070153925 /nfs/dbraw/zinc/15/39/25/1070153925.db2.gz LJOBGCFLHTXCOX-FQEVSTJZSA-N 1 2 476.626 -0.407 20 0 JBADLO CC(=O)N1CC[NH+](CCn2c([C@@H]3CCOC3)nnc2N2CCN(CC(=O)NC(C)C)CC2)CC1 ZINC001301770362 1070153895 /nfs/dbraw/zinc/15/38/95/1070153895.db2.gz LJOBGCFLHTXCOX-HXUWFJFHSA-N 1 2 476.626 -0.407 20 0 JBADLO CC(=O)N1CC[NH+](CCn2c(CC3CC3)nnc2N2CCN(S(C)(=O)=O)[C@@H](C)C2)CC1 ZINC001301771552 1070153812 /nfs/dbraw/zinc/15/38/12/1070153812.db2.gz VRWGZLRCPHNELH-INIZCTEOSA-N 1 2 453.613 -0.135 20 0 JBADLO CC(=O)N1CC[NH+](CCn2c(Cc3cccnc3)nnc2N2CCC(NS(C)(=O)=O)CC2)CC1 ZINC001301771942 1070153787 /nfs/dbraw/zinc/15/37/87/1070153787.db2.gz XRDKSOZTPONWRE-UHFFFAOYSA-N 1 2 490.634 -0.054 20 0 JBADLO CC(=O)N1CC[C@@H](CN(C)c2nnc(CN3CCCC3=O)n2CC[NH+]2CCN(C(C)=O)CC2)C1 ZINC001301776266 1070153910 /nfs/dbraw/zinc/15/39/10/1070153910.db2.gz XQFCMZRHRSFPQX-FQEVSTJZSA-N 1 2 474.610 -0.131 20 0 JBADLO CC(=O)N1CC[C@H](CN(C)c2nnc(CN3CCCC3=O)n2CC[NH+]2CCN(C(C)=O)CC2)C1 ZINC001301776268 1070153844 /nfs/dbraw/zinc/15/38/44/1070153844.db2.gz XQFCMZRHRSFPQX-HXUWFJFHSA-N 1 2 474.610 -0.131 20 0 JBADLO CC(=O)N1CC[NH+](CCn2c(Cn3nc(C)cc3C)nnc2N(C)CC(=O)N2CCOCC2)CC1 ZINC001301776456 1070153872 /nfs/dbraw/zinc/15/38/72/1070153872.db2.gz ZDYTYYQVJXYRRZ-UHFFFAOYSA-N 1 2 487.609 -0.401 20 0 JBADLO CC(=O)N1CC[NH+](CCn2c(CN3CCCC3=O)nnc2N(C)CCNC(=O)C(C)C)CC1 ZINC001301776512 1070153750 /nfs/dbraw/zinc/15/37/50/1070153750.db2.gz ZZUGOZICVHXAQK-UHFFFAOYSA-N 1 2 462.599 -0.227 20 0 JBADLO CC(=O)N[C@@H]1CCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](C)[NH+]2CCOCC2)C1 ZINC001301817019 1070154906 /nfs/dbraw/zinc/15/49/06/1070154906.db2.gz XVAAEZOSHHJJEJ-BFYDXBDKSA-N 1 2 457.601 -0.286 20 0 JBADLO CC(=O)N[C@@H]1CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](C)[NH+]2CCOCC2)C1 ZINC001301817020 1070155051 /nfs/dbraw/zinc/15/50/51/1070155051.db2.gz XVAAEZOSHHJJEJ-HLLBOEOZSA-N 1 2 457.601 -0.286 20 0 JBADLO CC(=O)N[C@@H]1CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](C)[NH+]2CCOCC2)C1 ZINC001301817021 1070154947 /nfs/dbraw/zinc/15/49/47/1070154947.db2.gz XVAAEZOSHHJJEJ-YQQAZPJKSA-N 1 2 457.601 -0.286 20 0 JBADLO CC(=O)N[C@@H]1CCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](C)[NH+]2CCOCC2)C1 ZINC001301817022 1070154836 /nfs/dbraw/zinc/15/48/36/1070154836.db2.gz XVAAEZOSHHJJEJ-ZMSDIMECSA-N 1 2 457.601 -0.286 20 0 JBADLO CC(=O)N[C@@H]1CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2([NH+]3CCOCC3)CC2)C1 ZINC001301817187 1070154927 /nfs/dbraw/zinc/15/49/27/1070154927.db2.gz YNRRHGOFLJLTJZ-DOTOQJQBSA-N 1 2 469.612 -0.142 20 0 JBADLO CC(=O)N[C@@H]1CCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2([NH+]3CCOCC3)CC2)C1 ZINC001301817188 1070154993 /nfs/dbraw/zinc/15/49/93/1070154993.db2.gz YNRRHGOFLJLTJZ-NVXWUHKLSA-N 1 2 469.612 -0.142 20 0 JBADLO CC(=O)N[C@H]1CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2([NH+]3CCOCC3)CC2)C1 ZINC001301817189 1070154801 /nfs/dbraw/zinc/15/48/01/1070154801.db2.gz YNRRHGOFLJLTJZ-RDJZCZTQSA-N 1 2 469.612 -0.142 20 0 JBADLO CC(=O)N[C@H]1CCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2([NH+]3CCOCC3)CC2)C1 ZINC001301817190 1070155790 /nfs/dbraw/zinc/15/57/90/1070155790.db2.gz YNRRHGOFLJLTJZ-WBVHZDCISA-N 1 2 469.612 -0.142 20 0 JBADLO CC(=O)N[C@@H]1CCCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@@H+]2CCOC[C@H]2C)C1 ZINC001301826842 1070155634 /nfs/dbraw/zinc/15/56/34/1070155634.db2.gz HSWDCEGDAUZGJX-BHIYHBOVSA-N 1 2 499.638 -0.563 20 0 JBADLO CC(=O)N[C@@H]1CCCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@H+]2CCOC[C@H]2C)C1 ZINC001301826842 1070155627 /nfs/dbraw/zinc/15/56/27/1070155627.db2.gz HSWDCEGDAUZGJX-BHIYHBOVSA-N 1 2 499.638 -0.563 20 0 JBADLO CC(=O)N[C@@H]1CCCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@@H+]2CCOC[C@H]2C)C1 ZINC001301826843 1070155709 /nfs/dbraw/zinc/15/57/09/1070155709.db2.gz HSWDCEGDAUZGJX-QRQLOZEOSA-N 1 2 499.638 -0.563 20 0 JBADLO CC(=O)N[C@@H]1CCCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@H+]2CCOC[C@H]2C)C1 ZINC001301826843 1070155703 /nfs/dbraw/zinc/15/57/03/1070155703.db2.gz HSWDCEGDAUZGJX-QRQLOZEOSA-N 1 2 499.638 -0.563 20 0 JBADLO CC(=O)N[C@@H]1CCCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@@H+]2CCOC[C@@H]2C)C1 ZINC001301826844 1070155732 /nfs/dbraw/zinc/15/57/32/1070155732.db2.gz HSWDCEGDAUZGJX-QXAKKESOSA-N 1 2 499.638 -0.563 20 0 JBADLO CC(=O)N[C@@H]1CCCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@H+]2CCOC[C@@H]2C)C1 ZINC001301826844 1070155725 /nfs/dbraw/zinc/15/57/25/1070155725.db2.gz HSWDCEGDAUZGJX-QXAKKESOSA-N 1 2 499.638 -0.563 20 0 JBADLO CC(=O)N[C@@H]1CCCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@@H+]2CCOC[C@@H]2C)C1 ZINC001301826845 1070155593 /nfs/dbraw/zinc/15/55/93/1070155593.db2.gz HSWDCEGDAUZGJX-UHOSZYNNSA-N 1 2 499.638 -0.563 20 0 JBADLO CC(=O)N[C@@H]1CCCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@H+]2CCOC[C@@H]2C)C1 ZINC001301826845 1070155585 /nfs/dbraw/zinc/15/55/85/1070155585.db2.gz HSWDCEGDAUZGJX-UHOSZYNNSA-N 1 2 499.638 -0.563 20 0 JBADLO CC(=O)NC1CCN(c2nnc(CN3CCCC3=O)n2CC[NH+]2CCN(C(C)=O)CC2)CC1 ZINC001301847659 1070158739 /nfs/dbraw/zinc/15/87/39/1070158739.db2.gz RBOXJFNDFJHBQD-UHFFFAOYSA-N 1 2 460.583 -0.331 20 0 JBADLO CC(=O)NC[C@@H]1CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](C)[NH+]2CCOCC2)C1 ZINC001301856731 1070159517 /nfs/dbraw/zinc/15/95/17/1070159517.db2.gz KCUFAMVUJBLEHV-BQFCYCMXSA-N 1 2 471.628 -0.039 20 0 JBADLO CC(=O)NC[C@@H]1CCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](C)[NH+]2CCOCC2)C1 ZINC001301856734 1070159581 /nfs/dbraw/zinc/15/95/81/1070159581.db2.gz KCUFAMVUJBLEHV-JZXOWHBKSA-N 1 2 471.628 -0.039 20 0 JBADLO CC(=O)NC[C@@H]1CCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](C)[NH+]2CCOCC2)C1 ZINC001301856737 1070159645 /nfs/dbraw/zinc/15/96/45/1070159645.db2.gz KCUFAMVUJBLEHV-NUJGCVRESA-N 1 2 471.628 -0.039 20 0 JBADLO CC(=O)NC[C@@H]1CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](C)[NH+]2CCOCC2)C1 ZINC001301856741 1070159461 /nfs/dbraw/zinc/15/94/61/1070159461.db2.gz KCUFAMVUJBLEHV-RYRKJORJSA-N 1 2 471.628 -0.039 20 0 JBADLO CC(=O)NC[C@H]1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[NH+]2CCN(C(C)=O)CC2)C1 ZINC001301865056 1070161836 /nfs/dbraw/zinc/16/18/36/1070161836.db2.gz LEFVUOFVCKLYBH-MOPGFXCFSA-N 1 2 460.583 -0.254 20 0 JBADLO CC(=O)NC[C@@H]1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[NH+]2CCN(C(C)=O)CC2)C1 ZINC001301865057 1070162643 /nfs/dbraw/zinc/16/26/43/1070162643.db2.gz LEFVUOFVCKLYBH-OALUTQOASA-N 1 2 460.583 -0.254 20 0 JBADLO CC(=O)NC[C@@H]1CCCN(c2nnc([C@H]3CCC(=O)N3)n2CC[NH+]2CCN(C(C)=O)CC2)C1 ZINC001301865058 1070162677 /nfs/dbraw/zinc/16/26/77/1070162677.db2.gz LEFVUOFVCKLYBH-RBUKOAKNSA-N 1 2 460.583 -0.254 20 0 JBADLO CC(=O)NC[C@H]1CCCN(c2nnc([C@H]3CCC(=O)N3)n2CC[NH+]2CCN(C(C)=O)CC2)C1 ZINC001301865059 1070162635 /nfs/dbraw/zinc/16/26/35/1070162635.db2.gz LEFVUOFVCKLYBH-RTBURBONSA-N 1 2 460.583 -0.254 20 0 JBADLO COCCN1CCN(c2nnc(C(=O)N3CCCC3)n2CC[N@H+]2CCOCC2(C)C)CC1=O ZINC001301872634 1070164485 /nfs/dbraw/zinc/16/44/85/1070164485.db2.gz WQKDXIJGLPANOW-UHFFFAOYSA-N 1 2 463.583 -0.080 20 0 JBADLO COCCN1CCN(c2nnc(C(=O)N3CCCC3)n2CC[N@@H+]2CCOCC2(C)C)CC1=O ZINC001301872634 1070164480 /nfs/dbraw/zinc/16/44/80/1070164480.db2.gz WQKDXIJGLPANOW-UHFFFAOYSA-N 1 2 463.583 -0.080 20 0 JBADLO COCC[NH+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2([S@](C)=O)CCC2)CC1 ZINC001301875430 1070165591 /nfs/dbraw/zinc/16/55/91/1070165591.db2.gz QSZJPTPLASOULZ-HOLBHBGLSA-N 1 2 462.642 -0.042 20 0 JBADLO COCC[NH+]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2([S@@](C)=O)CCC2)CC1 ZINC001301875434 1070165629 /nfs/dbraw/zinc/16/56/29/1070165629.db2.gz QSZJPTPLASOULZ-MHTXLSKPSA-N 1 2 462.642 -0.042 20 0 JBADLO COCC[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2([S@@](C)=O)CCC2)CC1 ZINC001301875435 1070165492 /nfs/dbraw/zinc/16/54/92/1070165492.db2.gz QSZJPTPLASOULZ-PEGYKEAPSA-N 1 2 462.642 -0.042 20 0 JBADLO COCC[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2([S@](C)=O)CCC2)CC1 ZINC001301875436 1070165379 /nfs/dbraw/zinc/16/53/79/1070165379.db2.gz QSZJPTPLASOULZ-WNNBVUDTSA-N 1 2 462.642 -0.042 20 0 JBADLO CC(=O)NCC1CCN(c2nnc(CN3CCCC3=O)n2CC[NH+]2CCN(C(C)=O)CC2)CC1 ZINC001301890056 1070167500 /nfs/dbraw/zinc/16/75/00/1070167500.db2.gz FPDYOUJQFOSNBZ-UHFFFAOYSA-N 1 2 474.610 -0.083 20 0 JBADLO CC(=O)NC[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CC(C)(C)[NH+]2CCOCC2)CCO1 ZINC001301894056 1070169107 /nfs/dbraw/zinc/16/91/07/1070169107.db2.gz VZOIFXRUIDUJRA-GOSISDBHSA-N 1 2 463.583 -0.034 20 0 JBADLO CC(=O)NC[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2CC(C)(C)[NH+]2CCOCC2)CCO1 ZINC001301894057 1070169010 /nfs/dbraw/zinc/16/90/10/1070169010.db2.gz VZOIFXRUIDUJRA-SFHVURJKSA-N 1 2 463.583 -0.034 20 0 JBADLO CC(=O)NC[C@H]1CN(c2nnc(Cc3cccnc3)n2CC[NH+]2CCN(C(C)=O)CC2)CCO1 ZINC001301901513 1070170506 /nfs/dbraw/zinc/17/05/06/1070170506.db2.gz CLYPCQRXXLUBOX-NRFANRHFSA-N 1 2 470.578 -0.231 20 0 JBADLO CC(=O)NC[C@@H]1CN(c2nnc(Cc3cccnc3)n2CC[NH+]2CCN(C(C)=O)CC2)CCO1 ZINC001301901514 1070170495 /nfs/dbraw/zinc/17/04/95/1070170495.db2.gz CLYPCQRXXLUBOX-OAQYLSRUSA-N 1 2 470.578 -0.231 20 0 JBADLO COCCNC(=O)CN1CCN(c2nnc(C(C)(C)C)n2CC[NH+]2CCN(C(C)=O)CC2)CC1 ZINC001301954273 1070180665 /nfs/dbraw/zinc/18/06/65/1070180665.db2.gz KTFDRWQSIADFGY-UHFFFAOYSA-N 1 2 478.642 -0.376 20 0 JBADLO COCCNC(=O)CN1CCN(c2nnc(C3CCCC3)n2CC[NH+]2CCN(C(C)=O)CC2)CC1 ZINC001301963799 1070183959 /nfs/dbraw/zinc/18/39/59/1070183959.db2.gz XGFKECPPCQNFCW-UHFFFAOYSA-N 1 2 490.653 -0.016 20 0 JBADLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(c2nnc(CC3CC3)n2CCNS(C)(=O)=O)CC1 ZINC001301981530 1070184884 /nfs/dbraw/zinc/18/48/84/1070184884.db2.gz LLDNCKVWFNAGRY-INIZCTEOSA-N 1 2 453.613 -0.087 20 0 JBADLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(c2nnc(CC3CC3)n2CCNS(C)(=O)=O)CC1 ZINC001301981531 1070184791 /nfs/dbraw/zinc/18/47/91/1070184791.db2.gz LLDNCKVWFNAGRY-MRXNPFEDSA-N 1 2 453.613 -0.087 20 0 JBADLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(c2nnc(-c3cccn3C)n2CCNS(C)(=O)=O)CC1 ZINC001301982092 1070185726 /nfs/dbraw/zinc/18/57/26/1070185726.db2.gz OLHTZBNBGQMDPS-KRWDZBQOSA-N 1 2 478.623 -0.034 20 0 JBADLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(c2nnc(-c3cccn3C)n2CCNS(C)(=O)=O)CC1 ZINC001301982096 1070185774 /nfs/dbraw/zinc/18/57/74/1070185774.db2.gz OLHTZBNBGQMDPS-QGZVFWFLSA-N 1 2 478.623 -0.034 20 0 JBADLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(c2nnc([C@H]3CCCOC3)n2CCNS(C)(=O)=O)CC1 ZINC001301982490 1070185707 /nfs/dbraw/zinc/18/57/07/1070185707.db2.gz RLKOMHWVAYTKDC-MSOLQXFVSA-N 1 2 483.639 -0.146 20 0 JBADLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(c2nnc([C@@H]3CCCOC3)n2CCNS(C)(=O)=O)CC1 ZINC001301982491 1070185556 /nfs/dbraw/zinc/18/55/56/1070185556.db2.gz RLKOMHWVAYTKDC-QZTJIDSGSA-N 1 2 483.639 -0.146 20 0 JBADLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(c2nnc([C@H]3CCCOC3)n2CCNS(C)(=O)=O)CC1 ZINC001301982492 1070185607 /nfs/dbraw/zinc/18/56/07/1070185607.db2.gz RLKOMHWVAYTKDC-ROUUACIJSA-N 1 2 483.639 -0.146 20 0 JBADLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(c2nnc([C@@H]3CCCOC3)n2CCNS(C)(=O)=O)CC1 ZINC001301982493 1070185784 /nfs/dbraw/zinc/18/57/84/1070185784.db2.gz RLKOMHWVAYTKDC-ZWKOTPCHSA-N 1 2 483.639 -0.146 20 0 JBADLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(c2nnc(-c3cnn(C)c3)n2CCS(=O)(=O)N(C)C)CC1 ZINC001301984870 1070186484 /nfs/dbraw/zinc/18/64/84/1070186484.db2.gz WPCIUCYITQZSFX-HNNXBMFYSA-N 1 2 479.611 -0.641 20 0 JBADLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(c2nnc(-c3cnn(C)c3)n2CCS(=O)(=O)N(C)C)CC1 ZINC001301984871 1070186359 /nfs/dbraw/zinc/18/63/59/1070186359.db2.gz WPCIUCYITQZSFX-OAHLLOKOSA-N 1 2 479.611 -0.641 20 0 JBADLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(c2nnc(-c3cnn(C)c3)n2CCCNS(C)(=O)=O)CC1 ZINC001301985591 1070186506 /nfs/dbraw/zinc/18/65/06/1070186506.db2.gz YTBOMJYINQDGIQ-HNNXBMFYSA-N 1 2 479.611 -0.593 20 0 JBADLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(c2nnc(-c3cnn(C)c3)n2CCCNS(C)(=O)=O)CC1 ZINC001301985592 1070186463 /nfs/dbraw/zinc/18/64/63/1070186463.db2.gz YTBOMJYINQDGIQ-OAHLLOKOSA-N 1 2 479.611 -0.593 20 0 JBADLO COCCO[C@H](C)c1nnc(N2CCN(S(C)(=O)=O)CC2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001302089308 1070190627 /nfs/dbraw/zinc/19/06/27/1070190627.db2.gz MHIBMULBVBOBKA-DLBZAZTESA-N 1 2 460.601 -0.196 20 0 JBADLO COCCO[C@H](C)c1nnc(N2CCN(S(C)(=O)=O)CC2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001302089308 1070190618 /nfs/dbraw/zinc/19/06/18/1070190618.db2.gz MHIBMULBVBOBKA-DLBZAZTESA-N 1 2 460.601 -0.196 20 0 JBADLO COCCO[C@H](C)c1nnc(N2CCN(S(C)(=O)=O)CC2)n1CC[N@H+]1CCOC[C@H]1C ZINC001302089309 1070190723 /nfs/dbraw/zinc/19/07/23/1070190723.db2.gz MHIBMULBVBOBKA-IAGOWNOFSA-N 1 2 460.601 -0.196 20 0 JBADLO COCCO[C@H](C)c1nnc(N2CCN(S(C)(=O)=O)CC2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001302089309 1070190720 /nfs/dbraw/zinc/19/07/20/1070190720.db2.gz MHIBMULBVBOBKA-IAGOWNOFSA-N 1 2 460.601 -0.196 20 0 JBADLO COCCO[C@@H](C)c1nnc(N2CCN(S(C)(=O)=O)CC2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001302089310 1070190743 /nfs/dbraw/zinc/19/07/43/1070190743.db2.gz MHIBMULBVBOBKA-IRXDYDNUSA-N 1 2 460.601 -0.196 20 0 JBADLO COCCO[C@@H](C)c1nnc(N2CCN(S(C)(=O)=O)CC2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001302089310 1070190738 /nfs/dbraw/zinc/19/07/38/1070190738.db2.gz MHIBMULBVBOBKA-IRXDYDNUSA-N 1 2 460.601 -0.196 20 0 JBADLO COCCO[C@@H](C)c1nnc(N2CCN(S(C)(=O)=O)CC2)n1CC[N@H+]1CCOC[C@H]1C ZINC001302089311 1070190570 /nfs/dbraw/zinc/19/05/70/1070190570.db2.gz MHIBMULBVBOBKA-SJORKVTESA-N 1 2 460.601 -0.196 20 0 JBADLO COCCO[C@@H](C)c1nnc(N2CCN(S(C)(=O)=O)CC2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001302089311 1070190560 /nfs/dbraw/zinc/19/05/60/1070190560.db2.gz MHIBMULBVBOBKA-SJORKVTESA-N 1 2 460.601 -0.196 20 0 JBADLO CO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@H+]2CCOCC2(C)C)C1 ZINC001302375686 1070202064 /nfs/dbraw/zinc/20/20/64/1070202064.db2.gz IPMYSXJBOIAEAT-IAGOWNOFSA-N 1 2 472.612 -0.053 20 0 JBADLO CO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@@H+]2CCOCC2(C)C)C1 ZINC001302375686 1070202054 /nfs/dbraw/zinc/20/20/54/1070202054.db2.gz IPMYSXJBOIAEAT-IAGOWNOFSA-N 1 2 472.612 -0.053 20 0 JBADLO CO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@H+]2CCOCC2(C)C)C1 ZINC001302375687 1070202123 /nfs/dbraw/zinc/20/21/23/1070202123.db2.gz IPMYSXJBOIAEAT-SJORKVTESA-N 1 2 472.612 -0.053 20 0 JBADLO CO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@@H+]2CCOCC2(C)C)C1 ZINC001302375687 1070202107 /nfs/dbraw/zinc/20/21/07/1070202107.db2.gz IPMYSXJBOIAEAT-SJORKVTESA-N 1 2 472.612 -0.053 20 0 JBADLO CS(=O)(=O)CCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[NH+](C2CCC2)CC1 ZINC001302458601 1070207324 /nfs/dbraw/zinc/20/73/24/1070207324.db2.gz JJPYIRAUSFHZJK-KRWDZBQOSA-N 1 2 490.652 -0.280 20 0 JBADLO CS(=O)(=O)CCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[NH+](C2CCC2)CC1 ZINC001302458603 1070207413 /nfs/dbraw/zinc/20/74/13/1070207413.db2.gz JJPYIRAUSFHZJK-QGZVFWFLSA-N 1 2 490.652 -0.280 20 0 JBADLO CS(=O)(=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[NH+](C2CCC2)CC1 ZINC001302465352 1070208738 /nfs/dbraw/zinc/20/87/38/1070208738.db2.gz OISDPSGECLOFPC-INIZCTEOSA-N 1 2 476.625 -0.670 20 0 JBADLO CS(=O)(=O)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[NH+](C2CCC2)CC1 ZINC001302465353 1070208466 /nfs/dbraw/zinc/20/84/66/1070208466.db2.gz OISDPSGECLOFPC-MRXNPFEDSA-N 1 2 476.625 -0.670 20 0 JBADLO CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCNC(=O)CC3)n2CCCNc2cccc[nH+]2)C1 ZINC001302483734 1070217252 /nfs/dbraw/zinc/21/72/52/1070217252.db2.gz JXJFXFKJXDNFBQ-INIZCTEOSA-N 1 2 478.579 -0.166 20 0 JBADLO CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCNC(=O)CC3)n2CCCNc2cccc[nH+]2)C1 ZINC001302483735 1070217072 /nfs/dbraw/zinc/21/70/72/1070217072.db2.gz JXJFXFKJXDNFBQ-MRXNPFEDSA-N 1 2 478.579 -0.166 20 0 JBADLO CC(C)[C@](C)(O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001302498327 1070222311 /nfs/dbraw/zinc/22/23/11/1070222311.db2.gz SEOHKXSZFBAHRH-FXAWDEMLSA-N 1 2 474.628 -0.214 20 0 JBADLO CC(C)[C@@](C)(O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001302498328 1070222509 /nfs/dbraw/zinc/22/25/09/1070222509.db2.gz SEOHKXSZFBAHRH-PXNSSMCTSA-N 1 2 474.628 -0.214 20 0 JBADLO CC(C)[C@@](C)(O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001302498329 1070222412 /nfs/dbraw/zinc/22/24/12/1070222412.db2.gz SEOHKXSZFBAHRH-XLIONFOSSA-N 1 2 474.628 -0.214 20 0 JBADLO CC(C)[C@](C)(O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001302498330 1070222386 /nfs/dbraw/zinc/22/23/86/1070222386.db2.gz SEOHKXSZFBAHRH-YLJYHZDGSA-N 1 2 474.628 -0.214 20 0 JBADLO CS(=O)(=O)NCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001302501606 1070223435 /nfs/dbraw/zinc/22/34/35/1070223435.db2.gz WWWVJAYJIDKJCT-HNNXBMFYSA-N 1 2 476.625 -0.970 20 0 JBADLO CS(=O)(=O)NCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001302501607 1070224190 /nfs/dbraw/zinc/22/41/90/1070224190.db2.gz WWWVJAYJIDKJCT-OAHLLOKOSA-N 1 2 476.625 -0.970 20 0 JBADLO CC(C)c1nnc(N2CCN(C(=O)C(=O)N3CCOCC3)CC2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001302670608 1070226094 /nfs/dbraw/zinc/22/60/94/1070226094.db2.gz ARDMEUCEIPIYEK-GOSISDBHSA-N 1 2 463.583 -0.370 20 0 JBADLO CC(C)c1nnc(N2CCN(C(=O)C(=O)N3CCOCC3)CC2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001302670609 1070225805 /nfs/dbraw/zinc/22/58/05/1070225805.db2.gz ARDMEUCEIPIYEK-SFHVURJKSA-N 1 2 463.583 -0.370 20 0 JBADLO C[C@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[N@@H+]2CC=CCC2)CCN1S(C)(=O)=O ZINC001302892916 1070229748 /nfs/dbraw/zinc/22/97/48/1070229748.db2.gz PGVDYZPTBMTQCL-DLBZAZTESA-N 1 2 472.637 -0.088 20 0 JBADLO C[C@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[N@H+]2CC=CCC2)CCN1S(C)(=O)=O ZINC001302892916 1070229743 /nfs/dbraw/zinc/22/97/43/1070229743.db2.gz PGVDYZPTBMTQCL-DLBZAZTESA-N 1 2 472.637 -0.088 20 0 JBADLO C[C@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[N@@H+]2CC=CCC2)CCN1S(C)(=O)=O ZINC001302892917 1070229604 /nfs/dbraw/zinc/22/96/04/1070229604.db2.gz PGVDYZPTBMTQCL-IRXDYDNUSA-N 1 2 472.637 -0.088 20 0 JBADLO C[C@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[N@H+]2CC=CCC2)CCN1S(C)(=O)=O ZINC001302892917 1070229592 /nfs/dbraw/zinc/22/95/92/1070229592.db2.gz PGVDYZPTBMTQCL-IRXDYDNUSA-N 1 2 472.637 -0.088 20 0 JBADLO CC(C)NC(=O)C(=O)N1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[N@@H+]2CC=CCC2)CC1 ZINC001303321592 1070240463 /nfs/dbraw/zinc/24/04/63/1070240463.db2.gz GOYNABQJUXZBMG-GOSISDBHSA-N 1 2 493.634 -0.385 20 0 JBADLO CC(C)NC(=O)C(=O)N1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[N@H+]2CC=CCC2)CC1 ZINC001303321592 1070240452 /nfs/dbraw/zinc/24/04/52/1070240452.db2.gz GOYNABQJUXZBMG-GOSISDBHSA-N 1 2 493.634 -0.385 20 0 JBADLO CC(C)NC(=O)C(=O)N1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[N@@H+]2CC=CCC2)CC1 ZINC001303321594 1070240680 /nfs/dbraw/zinc/24/06/80/1070240680.db2.gz GOYNABQJUXZBMG-SFHVURJKSA-N 1 2 493.634 -0.385 20 0 JBADLO CC(C)NC(=O)C(=O)N1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[N@H+]2CC=CCC2)CC1 ZINC001303321594 1070240664 /nfs/dbraw/zinc/24/06/64/1070240664.db2.gz GOYNABQJUXZBMG-SFHVURJKSA-N 1 2 493.634 -0.385 20 0 JBADLO CC(C)NC(=O)c1nnc(N2CCN(C(=O)C(=O)NC3CC3)CC2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001303397751 1070245427 /nfs/dbraw/zinc/24/54/27/1070245427.db2.gz OGTQUKQBTIRYLD-UHFFFAOYSA-N 1 2 490.609 -0.546 20 0 JBADLO CC(C)NC(=O)c1nnc(N2CCN(C(=O)C(=O)NC3CC3)CC2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001303397751 1070245416 /nfs/dbraw/zinc/24/54/16/1070245416.db2.gz OGTQUKQBTIRYLD-UHFFFAOYSA-N 1 2 490.609 -0.546 20 0 JBADLO CC(C)NC(=O)c1nnc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)n1CCn1cncn1 ZINC001303403332 1070247516 /nfs/dbraw/zinc/24/75/16/1070247516.db2.gz UNFVNUDTBBUHNU-KRWDZBQOSA-N 1 2 458.571 -0.159 20 0 JBADLO CC(C)NC(=O)c1nnc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)n1CCn1cncn1 ZINC001303403333 1070247605 /nfs/dbraw/zinc/24/76/05/1070247605.db2.gz UNFVNUDTBBUHNU-QGZVFWFLSA-N 1 2 458.571 -0.159 20 0 JBADLO CC(C)NC(=O)c1nnc(N2CCN(CC(=O)N(C)C)CC2)n1CC[N@H+]1CCOCC1(C)C ZINC001303405143 1070247632 /nfs/dbraw/zinc/24/76/32/1070247632.db2.gz JDCVFBBWTAXGKT-UHFFFAOYSA-N 1 2 464.615 -0.263 20 0 JBADLO CC(C)NC(=O)c1nnc(N2CCN(CC(=O)N(C)C)CC2)n1CC[N@@H+]1CCOCC1(C)C ZINC001303405143 1070247623 /nfs/dbraw/zinc/24/76/23/1070247623.db2.gz JDCVFBBWTAXGKT-UHFFFAOYSA-N 1 2 464.615 -0.263 20 0 JBADLO CC(C)NC(=O)c1nnc(N2CCN(CC(=O)NC3CC3)CC2)n1CC[N@H+]1CCOCC1(C)C ZINC001303407554 1070248196 /nfs/dbraw/zinc/24/81/96/1070248196.db2.gz GLODQUHCRZZOLR-UHFFFAOYSA-N 1 2 476.626 -0.072 20 0 JBADLO CC(C)NC(=O)c1nnc(N2CCN(CC(=O)NC3CC3)CC2)n1CC[N@@H+]1CCOCC1(C)C ZINC001303407554 1070248187 /nfs/dbraw/zinc/24/81/87/1070248187.db2.gz GLODQUHCRZZOLR-UHFFFAOYSA-N 1 2 476.626 -0.072 20 0 JBADLO CC(C)NC(=O)c1nnc(N2CCN(S(C)(=O)=O)[C@@H](C)C2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001303409457 1070249455 /nfs/dbraw/zinc/24/94/55/1070249455.db2.gz QWSKMWTVYZTRRF-INIZCTEOSA-N 1 2 471.628 -0.003 20 0 JBADLO CC(C)NC(=O)c1nnc(N2CCNC(=O)CC2)n1C[C@@]1([NH+]2CCOCC2)CCSC1 ZINC001303412087 1070250002 /nfs/dbraw/zinc/25/00/02/1070250002.db2.gz UVDKCCMLYMGDQV-FQEVSTJZSA-N 1 2 451.597 -0.050 20 0 JBADLO CC(C)NC(=O)c1nnc(N2CCNC(=O)CC2)n1C[C@]1([NH+]2CCOCC2)CCSC1 ZINC001303412088 1070249954 /nfs/dbraw/zinc/24/99/54/1070249954.db2.gz UVDKCCMLYMGDQV-HXUWFJFHSA-N 1 2 451.597 -0.050 20 0 JBADLO CC(C)NC(=O)c1nnc(N2CCS(=O)(=O)CC2)n1Cc1ccc[nH+]c1N1CCOCC1 ZINC001303415858 1070250064 /nfs/dbraw/zinc/25/00/64/1070250064.db2.gz INCLIBATGKUCPO-UHFFFAOYSA-N 1 2 463.564 -0.069 20 0 JBADLO CC(C)NC(=O)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001303441431 1070251544 /nfs/dbraw/zinc/25/15/44/1070251544.db2.gz UIPHQGJWVSXYLZ-DLBZAZTESA-N 1 2 487.627 -0.708 20 0 JBADLO CC(C)NC(=O)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001303441432 1070251431 /nfs/dbraw/zinc/25/14/31/1070251431.db2.gz UIPHQGJWVSXYLZ-IAGOWNOFSA-N 1 2 487.627 -0.708 20 0 JBADLO CC(C)NC(=O)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001303441433 1070251575 /nfs/dbraw/zinc/25/15/75/1070251575.db2.gz UIPHQGJWVSXYLZ-IRXDYDNUSA-N 1 2 487.627 -0.708 20 0 JBADLO CC(C)NC(=O)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001303441434 1070251595 /nfs/dbraw/zinc/25/15/95/1070251595.db2.gz UIPHQGJWVSXYLZ-SJORKVTESA-N 1 2 487.627 -0.708 20 0 JBADLO CC(C)NC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001303455044 1070252761 /nfs/dbraw/zinc/25/27/61/1070252761.db2.gz XLDFTBSXDIYNSF-DLBZAZTESA-N 1 2 454.597 -0.137 20 0 JBADLO CC(C)NC(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001303455046 1070252505 /nfs/dbraw/zinc/25/25/05/1070252505.db2.gz XLDFTBSXDIYNSF-IAGOWNOFSA-N 1 2 454.597 -0.137 20 0 JBADLO CC(C)NC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001303455048 1070252647 /nfs/dbraw/zinc/25/26/47/1070252647.db2.gz XLDFTBSXDIYNSF-IRXDYDNUSA-N 1 2 454.597 -0.137 20 0 JBADLO CC(C)NC(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001303455050 1070252733 /nfs/dbraw/zinc/25/27/33/1070252733.db2.gz XLDFTBSXDIYNSF-SJORKVTESA-N 1 2 454.597 -0.137 20 0 JBADLO CC(C)NS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC001303472787 1070255638 /nfs/dbraw/zinc/25/56/38/1070255638.db2.gz WUJXHQBAQQPRNZ-INIZCTEOSA-N 1 2 493.638 -0.205 20 0 JBADLO CC(C)NS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC001303472799 1070255676 /nfs/dbraw/zinc/25/56/76/1070255676.db2.gz WUJXHQBAQQPRNZ-MRXNPFEDSA-N 1 2 493.638 -0.205 20 0 JBADLO C[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(CNS(C)(=O)=O)CC1)[NH+]1CCOCC1 ZINC001303713431 1070259754 /nfs/dbraw/zinc/25/97/54/1070259754.db2.gz QTFIJAWVXSPJMY-DOTOQJQBSA-N 1 2 469.612 -0.285 20 0 JBADLO C[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(CNS(C)(=O)=O)CC1)[NH+]1CCOCC1 ZINC001303713433 1070259692 /nfs/dbraw/zinc/25/96/92/1070259692.db2.gz QTFIJAWVXSPJMY-NVXWUHKLSA-N 1 2 469.612 -0.285 20 0 JBADLO C[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(CNS(C)(=O)=O)CC1)[NH+]1CCOCC1 ZINC001303713435 1070259824 /nfs/dbraw/zinc/25/98/24/1070259824.db2.gz QTFIJAWVXSPJMY-RDJZCZTQSA-N 1 2 469.612 -0.285 20 0 JBADLO C[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(CNS(C)(=O)=O)CC1)[NH+]1CCOCC1 ZINC001303713437 1070259583 /nfs/dbraw/zinc/25/95/83/1070259583.db2.gz QTFIJAWVXSPJMY-WBVHZDCISA-N 1 2 469.612 -0.285 20 0 JBADLO C[C@@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H]1CCCO1)[NH+]1CCOCC1 ZINC001303722793 1070260383 /nfs/dbraw/zinc/26/03/83/1070260383.db2.gz PRPQMIQWSSTCFW-KSZLIROESA-N 1 2 472.612 -0.053 20 0 JBADLO C[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H]1CCCO1)[NH+]1CCOCC1 ZINC001303722795 1070260514 /nfs/dbraw/zinc/26/05/14/1070260514.db2.gz PRPQMIQWSSTCFW-KURKYZTESA-N 1 2 472.612 -0.053 20 0 JBADLO C[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H]1CCCO1)[NH+]1CCOCC1 ZINC001303722797 1070260218 /nfs/dbraw/zinc/26/02/18/1070260218.db2.gz PRPQMIQWSSTCFW-KZNAEPCWSA-N 1 2 472.612 -0.053 20 0 JBADLO C[C@@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H]1CCCO1)[NH+]1CCOCC1 ZINC001303722799 1070260409 /nfs/dbraw/zinc/26/04/09/1070260409.db2.gz PRPQMIQWSSTCFW-RCCFBDPRSA-N 1 2 472.612 -0.053 20 0 JBADLO C[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1)[NH+]1CCOCC1 ZINC001303738088 1070260993 /nfs/dbraw/zinc/26/09/93/1070260993.db2.gz UZIJBQJIIQVNJA-MSOLQXFVSA-N 1 2 483.639 -0.113 20 0 JBADLO C[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1)[NH+]1CCOCC1 ZINC001303738098 1070260921 /nfs/dbraw/zinc/26/09/21/1070260921.db2.gz UZIJBQJIIQVNJA-QZTJIDSGSA-N 1 2 483.639 -0.113 20 0 JBADLO C[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1)[NH+]1CCOCC1 ZINC001303738099 1070261137 /nfs/dbraw/zinc/26/11/37/1070261137.db2.gz UZIJBQJIIQVNJA-ROUUACIJSA-N 1 2 483.639 -0.113 20 0 JBADLO C[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1)[NH+]1CCOCC1 ZINC001303738100 1070261112 /nfs/dbraw/zinc/26/11/12/1070261112.db2.gz UZIJBQJIIQVNJA-ZWKOTPCHSA-N 1 2 483.639 -0.113 20 0 JBADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CC(=O)N(C)[C@H](C)C2)n1Cc1ccc[nH+]c1N1CCOCC1 ZINC001303819815 1070265282 /nfs/dbraw/zinc/26/52/82/1070265282.db2.gz JUHMBJZWPUYMMM-CVEARBPZSA-N 1 2 492.606 -0.165 20 0 JBADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CC(=O)N(C)[C@@H](C)C2)n1Cc1ccc[nH+]c1N1CCOCC1 ZINC001303819816 1070265456 /nfs/dbraw/zinc/26/54/56/1070265456.db2.gz JUHMBJZWPUYMMM-HOTGVXAUSA-N 1 2 492.606 -0.165 20 0 JBADLO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC(=O)N(C)[C@H](C)C2)n1Cc1ccc[nH+]c1N1CCOCC1 ZINC001303819818 1070265401 /nfs/dbraw/zinc/26/54/01/1070265401.db2.gz JUHMBJZWPUYMMM-HZPDHXFCSA-N 1 2 492.606 -0.165 20 0 JBADLO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC(=O)N(C)[C@@H](C)C2)n1Cc1ccc[nH+]c1N1CCOCC1 ZINC001303819820 1070265431 /nfs/dbraw/zinc/26/54/31/1070265431.db2.gz JUHMBJZWPUYMMM-JKSUJKDBSA-N 1 2 492.606 -0.165 20 0 JBADLO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)CC[NH+]2CCOCC2)n1C[C@@H]1NC(=O)CC1(C)C ZINC001303820015 1070265490 /nfs/dbraw/zinc/26/54/90/1070265490.db2.gz ITWUKVNXVLOGON-CABCVRRESA-N 1 2 457.601 -0.429 20 0 JBADLO C[C@H](NS(C)(=O)=O)c1nnc(N(C)CC[NH+]2CCOCC2)n1C[C@@H]1NC(=O)CC1(C)C ZINC001303820017 1070265081 /nfs/dbraw/zinc/26/50/81/1070265081.db2.gz ITWUKVNXVLOGON-GJZGRUSLSA-N 1 2 457.601 -0.429 20 0 JBADLO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)CC[NH+]2CCOCC2)n1C[C@H]1NC(=O)CC1(C)C ZINC001303820019 1070265250 /nfs/dbraw/zinc/26/52/50/1070265250.db2.gz ITWUKVNXVLOGON-HUUCEWRRSA-N 1 2 457.601 -0.429 20 0 JBADLO C[C@H](NS(C)(=O)=O)c1nnc(N(C)CC[NH+]2CCOCC2)n1C[C@H]1NC(=O)CC1(C)C ZINC001303820021 1070265218 /nfs/dbraw/zinc/26/52/18/1070265218.db2.gz ITWUKVNXVLOGON-LSDHHAIUSA-N 1 2 457.601 -0.429 20 0 JBADLO C[C@H](NS(C)(=O)=O)c1nnc(N(C)CC[NH+]2CCOCC2)n1C[C@@H]1CC[C@]2(CCOC2)O1 ZINC001303820088 1070265317 /nfs/dbraw/zinc/26/53/17/1070265317.db2.gz JWJFAYMRRIBEPP-ABSDTBQOSA-N 1 2 472.612 -0.005 20 0 JBADLO C[C@H](NS(C)(=O)=O)c1nnc(N(C)CC[NH+]2CCOCC2)n1C[C@H]1CC[C@@]2(CCOC2)O1 ZINC001303820109 1070265127 /nfs/dbraw/zinc/26/51/27/1070265127.db2.gz JWJFAYMRRIBEPP-QKLQHJQFSA-N 1 2 472.612 -0.005 20 0 JBADLO C[C@H](NS(C)(=O)=O)c1nnc(N(C)CC[NH+]2CCOCC2)n1C[C@H]1CC[C@]2(CCOC2)O1 ZINC001303820111 1070265359 /nfs/dbraw/zinc/26/53/59/1070265359.db2.gz JWJFAYMRRIBEPP-SQGPQFPESA-N 1 2 472.612 -0.005 20 0 JBADLO C[C@H](NS(C)(=O)=O)c1nnc(N(C)CC[NH+]2CCOCC2)n1C[C@@H]1CC[C@@]2(CCOC2)O1 ZINC001303820113 1070265160 /nfs/dbraw/zinc/26/51/60/1070265160.db2.gz JWJFAYMRRIBEPP-ZWOKBUDYSA-N 1 2 472.612 -0.005 20 0 JBADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](NC(=O)NC3CC3)C2)n1CC[N@H+]1CCOC[C@H]1C ZINC001303837949 1070269736 /nfs/dbraw/zinc/26/97/36/1070269736.db2.gz CHESIFUFEZCTMV-HLLBOEOZSA-N 1 2 484.627 -0.351 20 0 JBADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](NC(=O)NC3CC3)C2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001303837949 1070269727 /nfs/dbraw/zinc/26/97/27/1070269727.db2.gz CHESIFUFEZCTMV-HLLBOEOZSA-N 1 2 484.627 -0.351 20 0 JBADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](NC(=O)NC3CC3)C2)n1CC[N@H+]1CCOC[C@H]1C ZINC001303837950 1070269762 /nfs/dbraw/zinc/26/97/62/1070269762.db2.gz CHESIFUFEZCTMV-VYDXJSESSA-N 1 2 484.627 -0.351 20 0 JBADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](NC(=O)NC3CC3)C2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001303837950 1070269753 /nfs/dbraw/zinc/26/97/53/1070269753.db2.gz CHESIFUFEZCTMV-VYDXJSESSA-N 1 2 484.627 -0.351 20 0 JBADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](NC(=O)NC3CC3)C2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001303837951 1070269467 /nfs/dbraw/zinc/26/94/67/1070269467.db2.gz CHESIFUFEZCTMV-YQQAZPJKSA-N 1 2 484.627 -0.351 20 0 JBADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](NC(=O)NC3CC3)C2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001303837951 1070269453 /nfs/dbraw/zinc/26/94/53/1070269453.db2.gz CHESIFUFEZCTMV-YQQAZPJKSA-N 1 2 484.627 -0.351 20 0 JBADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](NC(=O)NC3CC3)C2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001303837952 1070269335 /nfs/dbraw/zinc/26/93/35/1070269335.db2.gz CHESIFUFEZCTMV-ZOBUZTSGSA-N 1 2 484.627 -0.351 20 0 JBADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](NC(=O)NC3CC3)C2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001303837952 1070269328 /nfs/dbraw/zinc/26/93/28/1070269328.db2.gz CHESIFUFEZCTMV-ZOBUZTSGSA-N 1 2 484.627 -0.351 20 0 JBADLO C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](CC(N)=O)C1)[NH+]1CCOCC1 ZINC001303850441 1070273537 /nfs/dbraw/zinc/27/35/37/1070273537.db2.gz UVFKZGYWWQEBRZ-HRCADAONSA-N 1 2 457.601 -0.299 20 0 JBADLO C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](CC(N)=O)C1)[NH+]1CCOCC1 ZINC001303850442 1070273642 /nfs/dbraw/zinc/27/36/42/1070273642.db2.gz UVFKZGYWWQEBRZ-JYJNAYRXSA-N 1 2 457.601 -0.299 20 0 JBADLO C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@H](CC(N)=O)C1)[NH+]1CCOCC1 ZINC001303850443 1070273858 /nfs/dbraw/zinc/27/38/58/1070273858.db2.gz UVFKZGYWWQEBRZ-OWCLPIDISA-N 1 2 457.601 -0.299 20 0 JBADLO C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC[C@@H](CC(N)=O)C1)[NH+]1CCOCC1 ZINC001303850444 1070273761 /nfs/dbraw/zinc/27/37/61/1070273761.db2.gz UVFKZGYWWQEBRZ-PMPSAXMXSA-N 1 2 457.601 -0.299 20 0 JBADLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCC(=O)N(C)C)CC1 ZINC001303859740 1070279260 /nfs/dbraw/zinc/27/92/60/1070279260.db2.gz UPUIQGJLZGWASX-DLBZAZTESA-N 1 2 498.654 -0.501 20 0 JBADLO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)n1CCC(=O)N(C)C ZINC001303859741 1070279112 /nfs/dbraw/zinc/27/91/12/1070279112.db2.gz UPUIQGJLZGWASX-IAGOWNOFSA-N 1 2 498.654 -0.501 20 0 JBADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)n1CCC(=O)N(C)C ZINC001303859742 1070279192 /nfs/dbraw/zinc/27/91/92/1070279192.db2.gz UPUIQGJLZGWASX-IRXDYDNUSA-N 1 2 498.654 -0.501 20 0 JBADLO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)n1CCC(=O)N(C)C ZINC001303859743 1070279340 /nfs/dbraw/zinc/27/93/40/1070279340.db2.gz UPUIQGJLZGWASX-SJORKVTESA-N 1 2 498.654 -0.501 20 0 JBADLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2cnn(C)c2)CC1 ZINC001303859772 1070279218 /nfs/dbraw/zinc/27/92/18/1070279218.db2.gz VAAJTFUCHQZBSV-DLBZAZTESA-N 1 2 493.638 -0.197 20 0 JBADLO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)n1Cc1cnn(C)c1 ZINC001303859773 1070279088 /nfs/dbraw/zinc/27/90/88/1070279088.db2.gz VAAJTFUCHQZBSV-IAGOWNOFSA-N 1 2 493.638 -0.197 20 0 JBADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)n1Cc1cnn(C)c1 ZINC001303859774 1070279063 /nfs/dbraw/zinc/27/90/63/1070279063.db2.gz VAAJTFUCHQZBSV-IRXDYDNUSA-N 1 2 493.638 -0.197 20 0 JBADLO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)n1Cc1cnn(C)c1 ZINC001303859775 1070279298 /nfs/dbraw/zinc/27/92/98/1070279298.db2.gz VAAJTFUCHQZBSV-SJORKVTESA-N 1 2 493.638 -0.197 20 0 JBADLO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(c3cccc[nH+]3)CC2)n1C[C@@]1(O)CCOC1 ZINC001303862694 1070280886 /nfs/dbraw/zinc/28/08/86/1070280886.db2.gz KHWJAEXYXZGBIH-BEFAXECRSA-N 1 2 451.553 -0.239 20 0 JBADLO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(c3cccc[nH+]3)CC2)n1C[C@]1(O)CCOC1 ZINC001303862695 1070281017 /nfs/dbraw/zinc/28/10/17/1070281017.db2.gz KHWJAEXYXZGBIH-DNVCBOLYSA-N 1 2 451.553 -0.239 20 0 JBADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3cccc[nH+]3)CC2)n1C[C@]1(O)CCOC1 ZINC001303862696 1070280945 /nfs/dbraw/zinc/28/09/45/1070280945.db2.gz KHWJAEXYXZGBIH-HNAYVOBHSA-N 1 2 451.553 -0.239 20 0 JBADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3cccc[nH+]3)CC2)n1C[C@@]1(O)CCOC1 ZINC001303862697 1070280794 /nfs/dbraw/zinc/28/07/94/1070280794.db2.gz KHWJAEXYXZGBIH-KXBFYZLASA-N 1 2 451.553 -0.239 20 0 JBADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(c3cccc[nH+]3)CC2)n1CCC(=O)N1CCOCC1 ZINC001303863770 1070281709 /nfs/dbraw/zinc/28/17/09/1070281709.db2.gz VOYGQBORKKPWEL-KRWDZBQOSA-N 1 2 492.606 -0.141 20 0 JBADLO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(c3cccc[nH+]3)CC2)n1CCC(=O)N1CCOCC1 ZINC001303863774 1070281590 /nfs/dbraw/zinc/28/15/90/1070281590.db2.gz VOYGQBORKKPWEL-QGZVFWFLSA-N 1 2 492.606 -0.141 20 0 JBADLO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(CC(=O)NC3CC3)CC2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001303864866 1070284376 /nfs/dbraw/zinc/28/43/76/1070284376.db2.gz ISCORZSCVNYTSY-DLBZAZTESA-N 1 2 498.654 -0.990 20 0 JBADLO C[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(=O)NC2CC2)CC1)[NH+]1CCOCC1 ZINC001303864867 1070284133 /nfs/dbraw/zinc/28/41/33/1070284133.db2.gz ISCORZSCVNYTSY-IAGOWNOFSA-N 1 2 498.654 -0.990 20 0 JBADLO C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(=O)NC2CC2)CC1)[NH+]1CCOCC1 ZINC001303864868 1070284403 /nfs/dbraw/zinc/28/44/03/1070284403.db2.gz ISCORZSCVNYTSY-IRXDYDNUSA-N 1 2 498.654 -0.990 20 0 JBADLO C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(=O)NC2CC2)CC1)[NH+]1CCOCC1 ZINC001303864869 1070284212 /nfs/dbraw/zinc/28/42/12/1070284212.db2.gz ISCORZSCVNYTSY-SJORKVTESA-N 1 2 498.654 -0.990 20 0 JBADLO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)NC[C@H]3C2)n1CCCNc1cccc[nH+]1 ZINC001303865712 1070287132 /nfs/dbraw/zinc/28/71/32/1070287132.db2.gz DBMFGUDOQBOIMF-CABCVRRESA-N 1 2 463.568 -0.001 20 0 JBADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)NC[C@H]3C2)n1CCCNc1cccc[nH+]1 ZINC001303865713 1070286866 /nfs/dbraw/zinc/28/68/66/1070286866.db2.gz DBMFGUDOQBOIMF-GJZGRUSLSA-N 1 2 463.568 -0.001 20 0 JBADLO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)NC[C@@H]3C2)n1CCCNc1cccc[nH+]1 ZINC001303865714 1070286930 /nfs/dbraw/zinc/28/69/30/1070286930.db2.gz DBMFGUDOQBOIMF-HUUCEWRRSA-N 1 2 463.568 -0.001 20 0 JBADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)NC[C@@H]3C2)n1CCCNc1cccc[nH+]1 ZINC001303865715 1070287051 /nfs/dbraw/zinc/28/70/51/1070287051.db2.gz DBMFGUDOQBOIMF-LSDHHAIUSA-N 1 2 463.568 -0.001 20 0 JBADLO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C[C@@H]3CCOC3)CC2)n1CCS(C)(=O)=O ZINC001303865943 1070287795 /nfs/dbraw/zinc/28/77/95/1070287795.db2.gz WMYIQAQWFIZOQC-CABCVRRESA-N 1 2 464.614 -0.909 20 0 JBADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C[C@@H]3CCOC3)CC2)n1CCS(C)(=O)=O ZINC001303865944 1070287829 /nfs/dbraw/zinc/28/78/29/1070287829.db2.gz WMYIQAQWFIZOQC-GJZGRUSLSA-N 1 2 464.614 -0.909 20 0 JBADLO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C[C@H]3CCOC3)CC2)n1CCS(C)(=O)=O ZINC001303865945 1070287690 /nfs/dbraw/zinc/28/76/90/1070287690.db2.gz WMYIQAQWFIZOQC-HUUCEWRRSA-N 1 2 464.614 -0.909 20 0 JBADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C[C@H]3CCOC3)CC2)n1CCS(C)(=O)=O ZINC001303865946 1070287531 /nfs/dbraw/zinc/28/75/31/1070287531.db2.gz WMYIQAQWFIZOQC-LSDHHAIUSA-N 1 2 464.614 -0.909 20 0 JBADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H]([C@H]3CCCO3)C2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001303866370 1070288827 /nfs/dbraw/zinc/28/88/27/1070288827.db2.gz AWIKMZYNZRZKQE-FJIDUMEYSA-N 1 2 472.612 -0.007 20 0 JBADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H]([C@H]3CCCO3)C2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001303866370 1070288822 /nfs/dbraw/zinc/28/88/22/1070288822.db2.gz AWIKMZYNZRZKQE-FJIDUMEYSA-N 1 2 472.612 -0.007 20 0 JBADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H]([C@@H]3CCCO3)C2)n1CC[N@H+]1CCOC[C@H]1C ZINC001303866373 1070289000 /nfs/dbraw/zinc/28/90/00/1070289000.db2.gz AWIKMZYNZRZKQE-OWSLCNJRSA-N 1 2 472.612 -0.007 20 0 JBADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H]([C@@H]3CCCO3)C2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001303866373 1070288987 /nfs/dbraw/zinc/28/89/87/1070288987.db2.gz AWIKMZYNZRZKQE-OWSLCNJRSA-N 1 2 472.612 -0.007 20 0 JBADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H]([C@H]3CCCO3)C2)n1CC[N@H+]1CCOC[C@H]1C ZINC001303866374 1070289166 /nfs/dbraw/zinc/28/91/66/1070289166.db2.gz AWIKMZYNZRZKQE-XDNAFOTISA-N 1 2 472.612 -0.007 20 0 JBADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H]([C@H]3CCCO3)C2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001303866374 1070289153 /nfs/dbraw/zinc/28/91/53/1070289153.db2.gz AWIKMZYNZRZKQE-XDNAFOTISA-N 1 2 472.612 -0.007 20 0 JBADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H]([C@@H]3CCCO3)C2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001303866376 1070289240 /nfs/dbraw/zinc/28/92/40/1070289240.db2.gz AWIKMZYNZRZKQE-XSLAGTTESA-N 1 2 472.612 -0.007 20 0 JBADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@H]([C@@H]3CCCO3)C2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001303866376 1070289228 /nfs/dbraw/zinc/28/92/28/1070289228.db2.gz AWIKMZYNZRZKQE-XSLAGTTESA-N 1 2 472.612 -0.007 20 0 JBADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)CC[C@@H]3C2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001303867195 1070290779 /nfs/dbraw/zinc/29/07/79/1070290779.db2.gz NZAGDRNXTHJXGM-HRCADAONSA-N 1 2 455.585 -0.580 20 0 JBADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)CC[C@@H]3C2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001303867195 1070290765 /nfs/dbraw/zinc/29/07/65/1070290765.db2.gz NZAGDRNXTHJXGM-HRCADAONSA-N 1 2 455.585 -0.580 20 0 JBADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)CC[C@H]3C2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001303867196 1070290950 /nfs/dbraw/zinc/29/09/50/1070290950.db2.gz NZAGDRNXTHJXGM-JYJNAYRXSA-N 1 2 455.585 -0.580 20 0 JBADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)CC[C@H]3C2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001303867196 1070290938 /nfs/dbraw/zinc/29/09/38/1070290938.db2.gz NZAGDRNXTHJXGM-JYJNAYRXSA-N 1 2 455.585 -0.580 20 0 JBADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)CC[C@@H]3C2)n1CC[N@H+]1CCOC[C@H]1C ZINC001303867197 1070290558 /nfs/dbraw/zinc/29/05/58/1070290558.db2.gz NZAGDRNXTHJXGM-OWCLPIDISA-N 1 2 455.585 -0.580 20 0 JBADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)CC[C@@H]3C2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001303867197 1070290544 /nfs/dbraw/zinc/29/05/44/1070290544.db2.gz NZAGDRNXTHJXGM-OWCLPIDISA-N 1 2 455.585 -0.580 20 0 JBADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)CC[C@H]3C2)n1CC[N@H+]1CCOC[C@H]1C ZINC001303867198 1070290714 /nfs/dbraw/zinc/29/07/14/1070290714.db2.gz NZAGDRNXTHJXGM-PMPSAXMXSA-N 1 2 455.585 -0.580 20 0 JBADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN3C(=O)CC[C@H]3C2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001303867198 1070290699 /nfs/dbraw/zinc/29/06/99/1070290699.db2.gz NZAGDRNXTHJXGM-PMPSAXMXSA-N 1 2 455.585 -0.580 20 0 JBADLO C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1)[NH+]1CCOCC1 ZINC001303875712 1070294638 /nfs/dbraw/zinc/29/46/38/1070294638.db2.gz NAHBCYWUSAWHJY-LTIDMASMSA-N 1 2 469.612 -0.334 20 0 JBADLO C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1)[NH+]1CCOCC1 ZINC001303875713 1070294928 /nfs/dbraw/zinc/29/49/28/1070294928.db2.gz NAHBCYWUSAWHJY-LUKYLMHMSA-N 1 2 469.612 -0.334 20 0 JBADLO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H]3[C@@H](CC(=O)N3C)C2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001303875714 1070294788 /nfs/dbraw/zinc/29/47/88/1070294788.db2.gz NAHBCYWUSAWHJY-VVLHAWIVSA-N 1 2 469.612 -0.334 20 0 JBADLO C[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H]2[C@@H](CC(=O)N2C)C1)[NH+]1CCOCC1 ZINC001303875715 1070294727 /nfs/dbraw/zinc/29/47/27/1070294727.db2.gz NAHBCYWUSAWHJY-WCXIOVBPSA-N 1 2 469.612 -0.334 20 0 JBADLO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@H]3CCNC(=O)[C@H]3C2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001303877100 1070295413 /nfs/dbraw/zinc/29/54/13/1070295413.db2.gz RVCQOVFOZDROJZ-HZMVEIRTSA-N 1 2 469.612 -0.429 20 0 JBADLO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@H]3CCNC(=O)[C@H]3C2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001303877100 1070295400 /nfs/dbraw/zinc/29/54/00/1070295400.db2.gz RVCQOVFOZDROJZ-HZMVEIRTSA-N 1 2 469.612 -0.429 20 0 JBADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@H]3CCNC(=O)[C@H]3C2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001303877101 1070295742 /nfs/dbraw/zinc/29/57/42/1070295742.db2.gz RVCQOVFOZDROJZ-NXOAAHMSSA-N 1 2 469.612 -0.429 20 0 JBADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@H]3CCNC(=O)[C@H]3C2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001303877101 1070295730 /nfs/dbraw/zinc/29/57/30/1070295730.db2.gz RVCQOVFOZDROJZ-NXOAAHMSSA-N 1 2 469.612 -0.429 20 0 JBADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@H]3CCNC(=O)[C@H]3C2)n1CC[N@H+]1CCOC[C@H]1C ZINC001303877102 1070295672 /nfs/dbraw/zinc/29/56/72/1070295672.db2.gz RVCQOVFOZDROJZ-TWMKSMIVSA-N 1 2 469.612 -0.429 20 0 JBADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@H]3CCNC(=O)[C@H]3C2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001303877102 1070295656 /nfs/dbraw/zinc/29/56/56/1070295656.db2.gz RVCQOVFOZDROJZ-TWMKSMIVSA-N 1 2 469.612 -0.429 20 0 JBADLO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@H]3CCNC(=O)[C@H]3C2)n1CC[N@H+]1CCOC[C@H]1C ZINC001303877103 1070295284 /nfs/dbraw/zinc/29/52/84/1070295284.db2.gz RVCQOVFOZDROJZ-VQHPVUNQSA-N 1 2 469.612 -0.429 20 0 JBADLO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@H]3CCNC(=O)[C@H]3C2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001303877103 1070295280 /nfs/dbraw/zinc/29/52/80/1070295280.db2.gz RVCQOVFOZDROJZ-VQHPVUNQSA-N 1 2 469.612 -0.429 20 0 JBADLO CC1(C)COCC[N@H+]1CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C(N)=O)C1 ZINC001303982150 1070297612 /nfs/dbraw/zinc/29/76/12/1070297612.db2.gz WHRSPPNCCVHBGQ-CVEARBPZSA-N 1 2 485.611 -0.967 20 0 JBADLO CC1(C)COCC[N@@H+]1CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C(N)=O)C1 ZINC001303982150 1070297597 /nfs/dbraw/zinc/29/75/97/1070297597.db2.gz WHRSPPNCCVHBGQ-CVEARBPZSA-N 1 2 485.611 -0.967 20 0 JBADLO CC1(C)COCC[N@H+]1CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C(N)=O)C1 ZINC001303982156 1070298248 /nfs/dbraw/zinc/29/82/48/1070298248.db2.gz WHRSPPNCCVHBGQ-HOTGVXAUSA-N 1 2 485.611 -0.967 20 0 JBADLO CC1(C)COCC[N@@H+]1CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C(N)=O)C1 ZINC001303982156 1070298244 /nfs/dbraw/zinc/29/82/44/1070298244.db2.gz WHRSPPNCCVHBGQ-HOTGVXAUSA-N 1 2 485.611 -0.967 20 0 JBADLO CC1(C)COCC[N@H+]1CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C(N)=O)C1 ZINC001303982158 1070298367 /nfs/dbraw/zinc/29/83/67/1070298367.db2.gz WHRSPPNCCVHBGQ-HZPDHXFCSA-N 1 2 485.611 -0.967 20 0 JBADLO CC1(C)COCC[N@@H+]1CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C(N)=O)C1 ZINC001303982158 1070298353 /nfs/dbraw/zinc/29/83/53/1070298353.db2.gz WHRSPPNCCVHBGQ-HZPDHXFCSA-N 1 2 485.611 -0.967 20 0 JBADLO CC1(C)COCC[N@H+]1CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C(N)=O)C1 ZINC001303982160 1070298323 /nfs/dbraw/zinc/29/83/23/1070298323.db2.gz WHRSPPNCCVHBGQ-JKSUJKDBSA-N 1 2 485.611 -0.967 20 0 JBADLO CC1(C)COCC[N@@H+]1CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C(N)=O)C1 ZINC001303982160 1070298316 /nfs/dbraw/zinc/29/83/16/1070298316.db2.gz WHRSPPNCCVHBGQ-JKSUJKDBSA-N 1 2 485.611 -0.967 20 0 JBADLO CC1(C)COCC[N@H+]1CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCOCC1 ZINC001303982390 1070298285 /nfs/dbraw/zinc/29/82/85/1070298285.db2.gz YEPMVNPKQXGJFI-KRWDZBQOSA-N 1 2 472.612 -0.052 20 0 JBADLO CC1(C)COCC[N@@H+]1CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCOCC1 ZINC001303982390 1070298273 /nfs/dbraw/zinc/29/82/73/1070298273.db2.gz YEPMVNPKQXGJFI-KRWDZBQOSA-N 1 2 472.612 -0.052 20 0 JBADLO CC1(C)COCC[N@H+]1CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCOCC1 ZINC001303982391 1070298075 /nfs/dbraw/zinc/29/80/75/1070298075.db2.gz YEPMVNPKQXGJFI-QGZVFWFLSA-N 1 2 472.612 -0.052 20 0 JBADLO CC1(C)COCC[N@@H+]1CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCOCC1 ZINC001303982391 1070298065 /nfs/dbraw/zinc/29/80/65/1070298065.db2.gz YEPMVNPKQXGJFI-QGZVFWFLSA-N 1 2 472.612 -0.052 20 0 JBADLO COC(=O)[C@@H](Cc1c[nH+]c[nH]1)NC(=O)c1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 ZINC001304090822 1070299504 /nfs/dbraw/zinc/29/95/04/1070299504.db2.gz MLBKXWUPHYGASY-OAHLLOKOSA-N 1 2 452.489 -0.047 20 0 JBADLO COC(=O)[C@@H](Cc1c[nH]c[nH+]1)NC(=O)c1ccc(OC)c(S(=O)(=O)N2CCOCC2)c1 ZINC001304090822 1070299493 /nfs/dbraw/zinc/29/94/93/1070299493.db2.gz MLBKXWUPHYGASY-OAHLLOKOSA-N 1 2 452.489 -0.047 20 0 JBADLO Cc1n[nH]c(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)n1 ZINC001304677167 1070303876 /nfs/dbraw/zinc/30/38/76/1070303876.db2.gz DHELIVUUUMXSMU-DZKIICNBSA-N 1 2 467.600 -0.286 20 0 JBADLO Cc1nc(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)n[nH]1 ZINC001304677167 1070303859 /nfs/dbraw/zinc/30/38/59/1070303859.db2.gz DHELIVUUUMXSMU-DZKIICNBSA-N 1 2 467.600 -0.286 20 0 JBADLO Cc1n[nH]c(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)n1 ZINC001304677168 1070303304 /nfs/dbraw/zinc/30/33/04/1070303304.db2.gz DHELIVUUUMXSMU-IJEWVQPXSA-N 1 2 467.600 -0.286 20 0 JBADLO Cc1nc(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)n[nH]1 ZINC001304677168 1070303283 /nfs/dbraw/zinc/30/32/83/1070303283.db2.gz DHELIVUUUMXSMU-IJEWVQPXSA-N 1 2 467.600 -0.286 20 0 JBADLO Cc1n[nH]c(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)n1 ZINC001304677169 1070303445 /nfs/dbraw/zinc/30/34/45/1070303445.db2.gz DHELIVUUUMXSMU-OFQRWUPVSA-N 1 2 467.600 -0.286 20 0 JBADLO Cc1nc(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)n[nH]1 ZINC001304677169 1070303426 /nfs/dbraw/zinc/30/34/26/1070303426.db2.gz DHELIVUUUMXSMU-OFQRWUPVSA-N 1 2 467.600 -0.286 20 0 JBADLO Cc1n[nH]c(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)n1 ZINC001304677170 1070303541 /nfs/dbraw/zinc/30/35/41/1070303541.db2.gz DHELIVUUUMXSMU-YCPHGPKFSA-N 1 2 467.600 -0.286 20 0 JBADLO Cc1nc(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)n[nH]1 ZINC001304677170 1070303522 /nfs/dbraw/zinc/30/35/22/1070303522.db2.gz DHELIVUUUMXSMU-YCPHGPKFSA-N 1 2 467.600 -0.286 20 0 JBADLO Cc1n[nH]c(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@H](C[NH+]3CCOCC3)C2)n1 ZINC001304677472 1070303688 /nfs/dbraw/zinc/30/36/88/1070303688.db2.gz HXOPYMXYXPBYLS-GDBMZVCRSA-N 1 2 467.600 -0.284 20 0 JBADLO Cc1n[nH]c(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@H](C[NH+]3CCOCC3)C2)n1 ZINC001304677473 1070303059 /nfs/dbraw/zinc/30/30/59/1070303059.db2.gz HXOPYMXYXPBYLS-GOEBONIOSA-N 1 2 467.600 -0.284 20 0 JBADLO Cc1n[nH]c(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@@H](C[NH+]3CCOCC3)C2)n1 ZINC001304677474 1070303217 /nfs/dbraw/zinc/30/32/17/1070303217.db2.gz HXOPYMXYXPBYLS-HOCLYGCPSA-N 1 2 467.600 -0.284 20 0 JBADLO Cc1n[nH]c(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@@H](C[NH+]3CCOCC3)C2)n1 ZINC001304677475 1070303607 /nfs/dbraw/zinc/30/36/07/1070303607.db2.gz HXOPYMXYXPBYLS-ZBFHGGJFSA-N 1 2 467.600 -0.284 20 0 JBADLO Cc1nc(N2CCN(c3nnc(CN4CCCC4=O)n3CCS(=O)(=O)N(C)C)CC2)cc[nH+]1 ZINC001304701448 1070304131 /nfs/dbraw/zinc/30/41/31/1070304131.db2.gz FMRNVXVGKVHIKQ-UHFFFAOYSA-N 1 2 477.595 -0.283 20 0 JBADLO Cc1nc(N2CCN(c3nnc([C@H](C)NS(C)(=O)=O)n3CCNC(=O)C3CC3)CC2)cc[nH+]1 ZINC001304701931 1070304650 /nfs/dbraw/zinc/30/46/50/1070304650.db2.gz NMCBEGAAAPBFCI-AWEZNQCLSA-N 1 2 477.595 -0.160 20 0 JBADLO Cc1nc(N2CCN(c3nnc([C@@H](C)NS(C)(=O)=O)n3CCNC(=O)C3CC3)CC2)cc[nH+]1 ZINC001304701932 1070304459 /nfs/dbraw/zinc/30/44/59/1070304459.db2.gz NMCBEGAAAPBFCI-CQSZACIVSA-N 1 2 477.595 -0.160 20 0 JBADLO Cc1cc(C)n(Cc2nnc(N(C)CC[NH+]3CCOCC3)n2CCN2CCCS2(=O)=O)n1 ZINC001304744993 1070306338 /nfs/dbraw/zinc/30/63/38/1070306338.db2.gz KRBNUYUEYCKAGM-UHFFFAOYSA-N 1 2 466.612 -0.056 20 0 JBADLO Cc1cc(C)n(Cc2nnc(N3CCN(S(C)(=O)=O)CC3)n2C[C@@H](C)[NH+]2CCOCC2)n1 ZINC001304764743 1070306997 /nfs/dbraw/zinc/30/69/97/1070306997.db2.gz RQZHELCUTFWHTA-GOSISDBHSA-N 1 2 466.612 -0.058 20 0 JBADLO Cc1cc(C)n(Cc2nnc(N3CCN(S(C)(=O)=O)CC3)n2C[C@H](C)[NH+]2CCOCC2)n1 ZINC001304764755 1070307428 /nfs/dbraw/zinc/30/74/28/1070307428.db2.gz RQZHELCUTFWHTA-SFHVURJKSA-N 1 2 466.612 -0.058 20 0 JBADLO Cc1cc(C[NH+]2CCN(c3nnc([C@@H]4CCC(=O)N4)n3CCNS(C)(=O)=O)CC2)on1 ZINC001304899844 1070308869 /nfs/dbraw/zinc/30/88/69/1070308869.db2.gz JBSFPNHMUVOGFU-HNNXBMFYSA-N 1 2 452.541 -0.603 20 0 JBADLO Cc1cc(C[NH+]2CCN(c3nnc([C@H]4CCC(=O)N4)n3CCNS(C)(=O)=O)CC2)on1 ZINC001304899847 1070308774 /nfs/dbraw/zinc/30/87/74/1070308774.db2.gz JBSFPNHMUVOGFU-OAHLLOKOSA-N 1 2 452.541 -0.603 20 0 JBADLO C[C@H]1C(=O)N(C)CCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001304906362 1070309098 /nfs/dbraw/zinc/30/90/98/1070309098.db2.gz GKSQESXEWXVPRA-DLBZAZTESA-N 1 2 499.638 -0.611 20 0 JBADLO C[C@@H]1C(=O)N(C)CCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001304906363 1070309279 /nfs/dbraw/zinc/30/92/79/1070309279.db2.gz GKSQESXEWXVPRA-IAGOWNOFSA-N 1 2 499.638 -0.611 20 0 JBADLO C[C@H]1C(=O)N(C)CCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001304906364 1070309313 /nfs/dbraw/zinc/30/93/13/1070309313.db2.gz GKSQESXEWXVPRA-IRXDYDNUSA-N 1 2 499.638 -0.611 20 0 JBADLO C[C@@H]1C(=O)N(C)CCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001304906365 1070309056 /nfs/dbraw/zinc/30/90/56/1070309056.db2.gz GKSQESXEWXVPRA-SJORKVTESA-N 1 2 499.638 -0.611 20 0 JBADLO C[C@H]1CCCCN1C(=O)C[NH+]1CCN(c2nnc(-c3cnn(C)c3)n2CCNS(C)(=O)=O)CC1 ZINC001305016917 1070311198 /nfs/dbraw/zinc/31/11/98/1070311198.db2.gz NFCDKBJJTWEJLZ-KRWDZBQOSA-N 1 2 493.638 -0.249 20 0 JBADLO C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(c2nnc(-c3cnn(C)c3)n2CCNS(C)(=O)=O)CC1 ZINC001305016918 1070311418 /nfs/dbraw/zinc/31/14/18/1070311418.db2.gz NFCDKBJJTWEJLZ-QGZVFWFLSA-N 1 2 493.638 -0.249 20 0 JBADLO C[C@H]1CN(C)C(=O)CN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[N@H+]1CCOCC1(C)C ZINC001305117891 1070314339 /nfs/dbraw/zinc/31/43/39/1070314339.db2.gz UFALLCSZQVTHOM-DLBZAZTESA-N 1 2 499.638 -0.611 20 0 JBADLO C[C@H]1CN(C)C(=O)CN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[N@@H+]1CCOCC1(C)C ZINC001305117891 1070314321 /nfs/dbraw/zinc/31/43/21/1070314321.db2.gz UFALLCSZQVTHOM-DLBZAZTESA-N 1 2 499.638 -0.611 20 0 JBADLO C[C@@H]1CN(C)C(=O)CN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[N@H+]1CCOCC1(C)C ZINC001305117892 1070314170 /nfs/dbraw/zinc/31/41/70/1070314170.db2.gz UFALLCSZQVTHOM-IAGOWNOFSA-N 1 2 499.638 -0.611 20 0 JBADLO C[C@@H]1CN(C)C(=O)CN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[N@@H+]1CCOCC1(C)C ZINC001305117892 1070314150 /nfs/dbraw/zinc/31/41/50/1070314150.db2.gz UFALLCSZQVTHOM-IAGOWNOFSA-N 1 2 499.638 -0.611 20 0 JBADLO C[C@H]1CN(C)C(=O)CN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[N@H+]1CCOCC1(C)C ZINC001305117893 1070314004 /nfs/dbraw/zinc/31/40/04/1070314004.db2.gz UFALLCSZQVTHOM-IRXDYDNUSA-N 1 2 499.638 -0.611 20 0 JBADLO C[C@H]1CN(C)C(=O)CN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[N@@H+]1CCOCC1(C)C ZINC001305117893 1070313985 /nfs/dbraw/zinc/31/39/85/1070313985.db2.gz UFALLCSZQVTHOM-IRXDYDNUSA-N 1 2 499.638 -0.611 20 0 JBADLO C[C@@H]1CN(C)C(=O)CN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[N@H+]1CCOCC1(C)C ZINC001305117895 1070314290 /nfs/dbraw/zinc/31/42/90/1070314290.db2.gz UFALLCSZQVTHOM-SJORKVTESA-N 1 2 499.638 -0.611 20 0 JBADLO C[C@@H]1CN(C)C(=O)CN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[N@@H+]1CCOCC1(C)C ZINC001305117895 1070314272 /nfs/dbraw/zinc/31/42/72/1070314272.db2.gz UFALLCSZQVTHOM-SJORKVTESA-N 1 2 499.638 -0.611 20 0 JBADLO C[C@H]1CN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC(C)(C)[NH+]2CCOCC2)CCO1 ZINC001305187800 1070316765 /nfs/dbraw/zinc/31/67/65/1070316765.db2.gz FNCILLDVDDCXSL-DLBZAZTESA-N 1 2 472.612 -0.053 20 0 JBADLO C[C@@H]1CN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC(C)(C)[NH+]2CCOCC2)CCO1 ZINC001305187805 1070316662 /nfs/dbraw/zinc/31/66/62/1070316662.db2.gz FNCILLDVDDCXSL-IAGOWNOFSA-N 1 2 472.612 -0.053 20 0 JBADLO C[C@H]1CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC(C)(C)[NH+]2CCOCC2)CCO1 ZINC001305187806 1070316562 /nfs/dbraw/zinc/31/65/62/1070316562.db2.gz FNCILLDVDDCXSL-IRXDYDNUSA-N 1 2 472.612 -0.053 20 0 JBADLO C[C@@H]1CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC(C)(C)[NH+]2CCOCC2)CCO1 ZINC001305187807 1070316803 /nfs/dbraw/zinc/31/68/03/1070316803.db2.gz FNCILLDVDDCXSL-SJORKVTESA-N 1 2 472.612 -0.053 20 0 JBADLO C[C@@H]1COCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[N@H+]1CCOC[C@H]1C ZINC001305233215 1070318722 /nfs/dbraw/zinc/31/87/22/1070318722.db2.gz AZCZFJRXQVJTJN-BRWVUGGUSA-N 1 2 458.585 -0.443 20 0 JBADLO C[C@@H]1COCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001305233215 1070318704 /nfs/dbraw/zinc/31/87/04/1070318704.db2.gz AZCZFJRXQVJTJN-BRWVUGGUSA-N 1 2 458.585 -0.443 20 0 JBADLO C[C@@H]1COCC[N@@H+]1CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC[C@@H]1C ZINC001305233222 1070318096 /nfs/dbraw/zinc/31/80/96/1070318096.db2.gz AZCZFJRXQVJTJN-IKGGRYGDSA-N 1 2 458.585 -0.443 20 0 JBADLO C[C@@H]1COCC[N@H+]1CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC[C@@H]1C ZINC001305233222 1070318077 /nfs/dbraw/zinc/31/80/77/1070318077.db2.gz AZCZFJRXQVJTJN-IKGGRYGDSA-N 1 2 458.585 -0.443 20 0 JBADLO C[C@@H]1COCC[N@@H+]1CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC[C@@H]1C ZINC001305233223 1070318585 /nfs/dbraw/zinc/31/85/85/1070318585.db2.gz AZCZFJRXQVJTJN-IXDOHACOSA-N 1 2 458.585 -0.443 20 0 JBADLO C[C@@H]1COCC[N@H+]1CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC[C@@H]1C ZINC001305233223 1070318565 /nfs/dbraw/zinc/31/85/65/1070318565.db2.gz AZCZFJRXQVJTJN-IXDOHACOSA-N 1 2 458.585 -0.443 20 0 JBADLO C[C@@H]1COCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[N@H+]1CCOC[C@H]1C ZINC001305233226 1070318410 /nfs/dbraw/zinc/31/84/10/1070318410.db2.gz AZCZFJRXQVJTJN-ZACQAIPSSA-N 1 2 458.585 -0.443 20 0 JBADLO C[C@@H]1COCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001305233226 1070318389 /nfs/dbraw/zinc/31/83/89/1070318389.db2.gz AZCZFJRXQVJTJN-ZACQAIPSSA-N 1 2 458.585 -0.443 20 0 JBADLO C[C@@H]1COCC[N@H+]1CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CO)CC1 ZINC001305234267 1070319094 /nfs/dbraw/zinc/31/90/94/1070319094.db2.gz NAQUTIJLDUBAFI-AEFFLSMTSA-N 1 2 472.612 -0.460 20 0 JBADLO C[C@@H]1COCC[N@@H+]1CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CO)CC1 ZINC001305234267 1070319074 /nfs/dbraw/zinc/31/90/74/1070319074.db2.gz NAQUTIJLDUBAFI-AEFFLSMTSA-N 1 2 472.612 -0.460 20 0 JBADLO C[C@H]1COCC[N@H+]1CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CO)CC1 ZINC001305234268 1070319251 /nfs/dbraw/zinc/31/92/51/1070319251.db2.gz NAQUTIJLDUBAFI-FUHWJXTLSA-N 1 2 472.612 -0.460 20 0 JBADLO C[C@H]1COCC[N@@H+]1CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CO)CC1 ZINC001305234268 1070319234 /nfs/dbraw/zinc/31/92/34/1070319234.db2.gz NAQUTIJLDUBAFI-FUHWJXTLSA-N 1 2 472.612 -0.460 20 0 JBADLO C[C@@H]1COCC[N@H+]1CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CO)CC1 ZINC001305234269 1070319038 /nfs/dbraw/zinc/31/90/38/1070319038.db2.gz NAQUTIJLDUBAFI-SJLPKXTDSA-N 1 2 472.612 -0.460 20 0 JBADLO C[C@@H]1COCC[N@@H+]1CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CO)CC1 ZINC001305234269 1070319018 /nfs/dbraw/zinc/31/90/18/1070319018.db2.gz NAQUTIJLDUBAFI-SJLPKXTDSA-N 1 2 472.612 -0.460 20 0 JBADLO C[C@H]1COCC[N@H+]1CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CO)CC1 ZINC001305234270 1070318967 /nfs/dbraw/zinc/31/89/67/1070318967.db2.gz NAQUTIJLDUBAFI-WMZOPIPTSA-N 1 2 472.612 -0.460 20 0 JBADLO C[C@H]1COCC[N@@H+]1CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CO)CC1 ZINC001305234270 1070318950 /nfs/dbraw/zinc/31/89/50/1070318950.db2.gz NAQUTIJLDUBAFI-WMZOPIPTSA-N 1 2 472.612 -0.460 20 0 JBADLO CC[C@H](C)c1nnc(N2CCN(C(=O)C(=O)NC3CC3)CC2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001305508308 1070321493 /nfs/dbraw/zinc/32/14/93/1070321493.db2.gz BVQQIBKRSYMHSU-KRWDZBQOSA-N 1 2 474.610 -0.117 20 0 JBADLO CC[C@@H](C)c1nnc(N2CCN(C(=O)C(=O)NC3CC3)CC2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001305508312 1070321312 /nfs/dbraw/zinc/32/13/12/1070321312.db2.gz BVQQIBKRSYMHSU-QGZVFWFLSA-N 1 2 474.610 -0.117 20 0 JBADLO CC[C@H]1C(=O)NCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001306256214 1070331892 /nfs/dbraw/zinc/33/18/92/1070331892.db2.gz ZSTKFCKYSIKSCL-DLBZAZTESA-N 1 2 492.606 -0.165 20 0 JBADLO CC[C@@H]1C(=O)NCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001306256229 1070331551 /nfs/dbraw/zinc/33/15/51/1070331551.db2.gz ZSTKFCKYSIKSCL-IAGOWNOFSA-N 1 2 492.606 -0.165 20 0 JBADLO CC[C@H]1C(=O)NCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001306256230 1070331609 /nfs/dbraw/zinc/33/16/09/1070331609.db2.gz ZSTKFCKYSIKSCL-IRXDYDNUSA-N 1 2 492.606 -0.165 20 0 JBADLO CC[C@@H]1C(=O)NCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001306256231 1070331830 /nfs/dbraw/zinc/33/18/30/1070331830.db2.gz ZSTKFCKYSIKSCL-SJORKVTESA-N 1 2 492.606 -0.165 20 0 JBADLO CC[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC[C@@H]2NC(=O)NC2=O)CC[N@H+]1CCOC ZINC001306432132 1070332956 /nfs/dbraw/zinc/33/29/56/1070332956.db2.gz BMEUEEMDGUKHBN-BBWFWOEESA-N 1 2 497.622 -0.285 20 0 JBADLO CC[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC[C@@H]2NC(=O)NC2=O)CC[N@@H+]1CCOC ZINC001306432132 1070332944 /nfs/dbraw/zinc/33/29/44/1070332944.db2.gz BMEUEEMDGUKHBN-BBWFWOEESA-N 1 2 497.622 -0.285 20 0 JBADLO CC[C@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC[C@@H]2NC(=O)NC2=O)CC[N@H+]1CCOC ZINC001306432133 1070333403 /nfs/dbraw/zinc/33/34/03/1070333403.db2.gz BMEUEEMDGUKHBN-IKGGRYGDSA-N 1 2 497.622 -0.285 20 0 JBADLO CC[C@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC[C@@H]2NC(=O)NC2=O)CC[N@@H+]1CCOC ZINC001306432133 1070333378 /nfs/dbraw/zinc/33/33/78/1070333378.db2.gz BMEUEEMDGUKHBN-IKGGRYGDSA-N 1 2 497.622 -0.285 20 0 JBADLO CC[C@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC[C@@H]2NC(=O)NC2=O)CC[N@H+]1CCOC ZINC001306432134 1070333265 /nfs/dbraw/zinc/33/32/65/1070333265.db2.gz BMEUEEMDGUKHBN-ULQDDVLXSA-N 1 2 497.622 -0.285 20 0 JBADLO CC[C@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC[C@@H]2NC(=O)NC2=O)CC[N@@H+]1CCOC ZINC001306432134 1070333250 /nfs/dbraw/zinc/33/32/50/1070333250.db2.gz BMEUEEMDGUKHBN-ULQDDVLXSA-N 1 2 497.622 -0.285 20 0 JBADLO CC[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC[C@@H]2NC(=O)NC2=O)CC[N@H+]1CCOC ZINC001306432135 1070333049 /nfs/dbraw/zinc/33/30/49/1070333049.db2.gz BMEUEEMDGUKHBN-ZACQAIPSSA-N 1 2 497.622 -0.285 20 0 JBADLO CC[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC[C@@H]2NC(=O)NC2=O)CC[N@@H+]1CCOC ZINC001306432135 1070333031 /nfs/dbraw/zinc/33/30/31/1070333031.db2.gz BMEUEEMDGUKHBN-ZACQAIPSSA-N 1 2 497.622 -0.285 20 0 JBADLO CCC[C@H]1CN(c2nnc(CN3CCCC3=O)n2C[C@@]2(O)CCS(=O)(=O)C2)CC[N@H+]1CCOC ZINC001306631208 1070335862 /nfs/dbraw/zinc/33/58/62/1070335862.db2.gz RVFYDNGSFOBHKK-AVRDEDQJSA-N 1 2 498.650 -0.113 20 0 JBADLO CCC[C@H]1CN(c2nnc(CN3CCCC3=O)n2C[C@@]2(O)CCS(=O)(=O)C2)CC[N@@H+]1CCOC ZINC001306631208 1070335844 /nfs/dbraw/zinc/33/58/44/1070335844.db2.gz RVFYDNGSFOBHKK-AVRDEDQJSA-N 1 2 498.650 -0.113 20 0 JBADLO CCC[C@@H]1CN(c2nnc(CN3CCCC3=O)n2C[C@@]2(O)CCS(=O)(=O)C2)CC[N@H+]1CCOC ZINC001306631209 1070335982 /nfs/dbraw/zinc/33/59/82/1070335982.db2.gz RVFYDNGSFOBHKK-GCJKJVERSA-N 1 2 498.650 -0.113 20 0 JBADLO CCC[C@@H]1CN(c2nnc(CN3CCCC3=O)n2C[C@@]2(O)CCS(=O)(=O)C2)CC[N@@H+]1CCOC ZINC001306631209 1070335965 /nfs/dbraw/zinc/33/59/65/1070335965.db2.gz RVFYDNGSFOBHKK-GCJKJVERSA-N 1 2 498.650 -0.113 20 0 JBADLO CCC[C@H]1CN(c2nnc(CN3CCCC3=O)n2C[C@]2(O)CCS(=O)(=O)C2)CC[N@H+]1CCOC ZINC001306631210 1070336045 /nfs/dbraw/zinc/33/60/45/1070336045.db2.gz RVFYDNGSFOBHKK-PGRDOPGGSA-N 1 2 498.650 -0.113 20 0 JBADLO CCC[C@H]1CN(c2nnc(CN3CCCC3=O)n2C[C@]2(O)CCS(=O)(=O)C2)CC[N@@H+]1CCOC ZINC001306631210 1070336024 /nfs/dbraw/zinc/33/60/24/1070336024.db2.gz RVFYDNGSFOBHKK-PGRDOPGGSA-N 1 2 498.650 -0.113 20 0 JBADLO CCC[C@@H]1CN(c2nnc(CN3CCCC3=O)n2C[C@]2(O)CCS(=O)(=O)C2)CC[N@H+]1CCOC ZINC001306631211 1070335722 /nfs/dbraw/zinc/33/57/22/1070335722.db2.gz RVFYDNGSFOBHKK-XMSQKQJNSA-N 1 2 498.650 -0.113 20 0 JBADLO CCC[C@@H]1CN(c2nnc(CN3CCCC3=O)n2C[C@]2(O)CCS(=O)(=O)C2)CC[N@@H+]1CCOC ZINC001306631211 1070335706 /nfs/dbraw/zinc/33/57/06/1070335706.db2.gz RVFYDNGSFOBHKK-XMSQKQJNSA-N 1 2 498.650 -0.113 20 0 JBADLO COCC(=O)NC1CC[NH+](CC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)CC1 ZINC001307414881 1070339761 /nfs/dbraw/zinc/33/97/61/1070339761.db2.gz POCULTLDRHOOHK-UHFFFAOYSA-N 1 2 454.549 -0.127 20 0 JBADLO O=C(C[NH+](CCO)CCO)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1N1CCCC1 ZINC001307457334 1070339909 /nfs/dbraw/zinc/33/99/09/1070339909.db2.gz WPAXNCSJYCIOOU-UHFFFAOYSA-N 1 2 456.565 -0.467 20 0 JBADLO O=C(C[N@@H+](CCO)CCN1CCOCC1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC001307515266 1070339856 /nfs/dbraw/zinc/33/98/56/1070339856.db2.gz KAHPTEJNAKADRO-UHFFFAOYSA-N 1 2 456.565 -0.728 20 0 JBADLO O=C(C[N@H+](CCO)CCN1CCOCC1)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC001307515266 1070339836 /nfs/dbraw/zinc/33/98/36/1070339836.db2.gz 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CC[N@@H+]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2(S(C)(=O)=O)CC2)C[C@H]1C ZINC001313937958 1070393675 /nfs/dbraw/zinc/39/36/75/1070393675.db2.gz PKBAYAFAGPYXSL-HZPDHXFCSA-N 1 2 490.652 -0.281 20 0 JBADLO CC[N@H+]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2(S(C)(=O)=O)CC2)C[C@@H]1C ZINC001313937959 1070393417 /nfs/dbraw/zinc/39/34/17/1070393417.db2.gz PKBAYAFAGPYXSL-JKSUJKDBSA-N 1 2 490.652 -0.281 20 0 JBADLO CC[N@@H+]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2(S(C)(=O)=O)CC2)C[C@@H]1C ZINC001313937959 1070393398 /nfs/dbraw/zinc/39/33/98/1070393398.db2.gz PKBAYAFAGPYXSL-JKSUJKDBSA-N 1 2 490.652 -0.281 20 0 JBADLO CCN1CC[NH+]([C@@H]2CCN(c3nnc(C(=O)NC(C)C)n3CCN3CCCS3(=O)=O)C2)CC1 ZINC001313943838 1070394609 /nfs/dbraw/zinc/39/46/09/1070394609.db2.gz WICQBKIRXOUOSE-GOSISDBHSA-N 1 2 482.655 -0.332 20 0 JBADLO CCN1CC[NH+]([C@H]2CCN(c3nnc(C(=O)NC(C)C)n3CCN3CCCS3(=O)=O)C2)CC1 ZINC001313943839 1070394955 /nfs/dbraw/zinc/39/49/55/1070394955.db2.gz WICQBKIRXOUOSE-SFHVURJKSA-N 1 2 482.655 -0.332 20 0 JBADLO CCN1CC[NH+]([C@H]2CCN(c3nnc(C(=O)NC(C)C)n3C[C@@H]3CCN(S(C)(=O)=O)C3)C2)CC1 ZINC001313944280 1070394462 /nfs/dbraw/zinc/39/44/62/1070394462.db2.gz ZIMVOPVEPKXEGS-MOPGFXCFSA-N 1 2 496.682 -0.086 20 0 JBADLO CCN1CC[NH+]([C@H]2CCN(c3nnc(C(=O)NC(C)C)n3C[C@H]3CCN(S(C)(=O)=O)C3)C2)CC1 ZINC001313944283 1070394718 /nfs/dbraw/zinc/39/47/18/1070394718.db2.gz ZIMVOPVEPKXEGS-OALUTQOASA-N 1 2 496.682 -0.086 20 0 JBADLO CCN1CC[NH+]([C@@H]2CCN(c3nnc(C(=O)NC(C)C)n3C[C@H]3CCN(S(C)(=O)=O)C3)C2)CC1 ZINC001313944284 1070394510 /nfs/dbraw/zinc/39/45/10/1070394510.db2.gz ZIMVOPVEPKXEGS-RBUKOAKNSA-N 1 2 496.682 -0.086 20 0 JBADLO CCN1CC[NH+]([C@@H]2CCN(c3nnc(C(=O)NC(C)C)n3C[C@@H]3CCN(S(C)(=O)=O)C3)C2)CC1 ZINC001313944285 1070395138 /nfs/dbraw/zinc/39/51/38/1070395138.db2.gz ZIMVOPVEPKXEGS-RTBURBONSA-N 1 2 496.682 -0.086 20 0 JBADLO CCNC(=O)CN1CCN(c2nnc(C(=O)NC(C)C)n2CC[N@H+]2CCOCC2(C)C)CC1 ZINC001313988533 1070400774 /nfs/dbraw/zinc/40/07/74/1070400774.db2.gz ZXFSBHAYMCOBFW-UHFFFAOYSA-N 1 2 464.615 -0.215 20 0 JBADLO CCNC(=O)CN1CCN(c2nnc(C(=O)NC(C)C)n2CC[N@@H+]2CCOCC2(C)C)CC1 ZINC001313988533 1070400765 /nfs/dbraw/zinc/40/07/65/1070400765.db2.gz ZXFSBHAYMCOBFW-UHFFFAOYSA-N 1 2 464.615 -0.215 20 0 JBADLO CCNC(=O)CN1CCN(c2nnc(CN3CCCC3=O)n2CC[N@H+]2CCOC[C@H]2C)CC1 ZINC001313988749 1070400850 /nfs/dbraw/zinc/40/08/50/1070400850.db2.gz BEVUFWZYHFKTEO-GOSISDBHSA-N 1 2 462.599 -0.621 20 0 JBADLO CCNC(=O)CN1CCN(c2nnc(CN3CCCC3=O)n2CC[N@@H+]2CCOC[C@H]2C)CC1 ZINC001313988749 1070400843 /nfs/dbraw/zinc/40/08/43/1070400843.db2.gz BEVUFWZYHFKTEO-GOSISDBHSA-N 1 2 462.599 -0.621 20 0 JBADLO CCNC(=O)CN1CCN(c2nnc(CN3CCCC3=O)n2CC[N@H+]2CCOC[C@@H]2C)CC1 ZINC001313988750 1070400816 /nfs/dbraw/zinc/40/08/16/1070400816.db2.gz BEVUFWZYHFKTEO-SFHVURJKSA-N 1 2 462.599 -0.621 20 0 JBADLO CCNC(=O)CN1CCN(c2nnc(CN3CCCC3=O)n2CC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC001313988750 1070400805 /nfs/dbraw/zinc/40/08/05/1070400805.db2.gz BEVUFWZYHFKTEO-SFHVURJKSA-N 1 2 462.599 -0.621 20 0 JBADLO CCNC(=O)CN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](C)[NH+]2CCN(CC)CC2)CC1 ZINC001313992744 1070404141 /nfs/dbraw/zinc/40/41/41/1070404141.db2.gz ZXVYOFPEQWGMTK-MOPGFXCFSA-N 1 2 475.642 -0.487 20 0 JBADLO CCNC(=O)CN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](C)[NH+]2CCN(CC)CC2)CC1 ZINC001313992746 1070403882 /nfs/dbraw/zinc/40/38/82/1070403882.db2.gz ZXVYOFPEQWGMTK-OALUTQOASA-N 1 2 475.642 -0.487 20 0 JBADLO CCNC(=O)CN1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](C)[NH+]2CCN(CC)CC2)CC1 ZINC001313992747 1070404075 /nfs/dbraw/zinc/40/40/75/1070404075.db2.gz ZXVYOFPEQWGMTK-RBUKOAKNSA-N 1 2 475.642 -0.487 20 0 JBADLO CCNC(=O)CN1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](C)[NH+]2CCN(CC)CC2)CC1 ZINC001313992748 1070403989 /nfs/dbraw/zinc/40/39/89/1070403989.db2.gz ZXVYOFPEQWGMTK-RTBURBONSA-N 1 2 475.642 -0.487 20 0 JBADLO CCO[C@@]1(c2nnc(N(C)CC(=O)N3CCOCC3)n2CC[N@H+]2CCOC[C@@H]2C)CCOC1 ZINC001314085446 1070412012 /nfs/dbraw/zinc/41/20/12/1070412012.db2.gz VCNUNNMBKNCOGU-AVRDEDQJSA-N 1 2 466.583 -0.054 20 0 JBADLO CCO[C@@]1(c2nnc(N(C)CC(=O)N3CCOCC3)n2CC[N@@H+]2CCOC[C@@H]2C)CCOC1 ZINC001314085446 1070412010 /nfs/dbraw/zinc/41/20/10/1070412010.db2.gz VCNUNNMBKNCOGU-AVRDEDQJSA-N 1 2 466.583 -0.054 20 0 JBADLO CCO[C@@]1(c2nnc(N(C)CC(=O)N3CCOCC3)n2CC[N@H+]2CCOC[C@H]2C)CCOC1 ZINC001314085469 1070411999 /nfs/dbraw/zinc/41/19/99/1070411999.db2.gz VCNUNNMBKNCOGU-GCJKJVERSA-N 1 2 466.583 -0.054 20 0 JBADLO CCO[C@@]1(c2nnc(N(C)CC(=O)N3CCOCC3)n2CC[N@@H+]2CCOC[C@H]2C)CCOC1 ZINC001314085469 1070411994 /nfs/dbraw/zinc/41/19/94/1070411994.db2.gz VCNUNNMBKNCOGU-GCJKJVERSA-N 1 2 466.583 -0.054 20 0 JBADLO CCO[C@]1(c2nnc(N(C)CC(=O)N3CCOCC3)n2CC[N@H+]2CCOC[C@@H]2C)CCOC1 ZINC001314085475 1070411949 /nfs/dbraw/zinc/41/19/49/1070411949.db2.gz VCNUNNMBKNCOGU-PGRDOPGGSA-N 1 2 466.583 -0.054 20 0 JBADLO CCO[C@]1(c2nnc(N(C)CC(=O)N3CCOCC3)n2CC[N@@H+]2CCOC[C@@H]2C)CCOC1 ZINC001314085475 1070411943 /nfs/dbraw/zinc/41/19/43/1070411943.db2.gz VCNUNNMBKNCOGU-PGRDOPGGSA-N 1 2 466.583 -0.054 20 0 JBADLO CCO[C@]1(c2nnc(N(C)CC(=O)N3CCOCC3)n2CC[N@H+]2CCOC[C@H]2C)CCOC1 ZINC001314085481 1070411922 /nfs/dbraw/zinc/41/19/22/1070411922.db2.gz VCNUNNMBKNCOGU-XMSQKQJNSA-N 1 2 466.583 -0.054 20 0 JBADLO CCO[C@]1(c2nnc(N(C)CC(=O)N3CCOCC3)n2CC[N@@H+]2CCOC[C@H]2C)CCOC1 ZINC001314085481 1070411914 /nfs/dbraw/zinc/41/19/14/1070411914.db2.gz VCNUNNMBKNCOGU-XMSQKQJNSA-N 1 2 466.583 -0.054 20 0 JBADLO CCO[C@]1(c2nnc(N(C)CC[NH+]3CCOCC3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CCOC1 ZINC001314094695 1070411890 /nfs/dbraw/zinc/41/18/90/1070411890.db2.gz QAZPPZTTWWLBKN-GHTZIAJQSA-N 1 2 486.639 -0.020 20 0 JBADLO CCO[C@@]1(c2nnc(N(C)CC[NH+]3CCOCC3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CCOC1 ZINC001314094696 1070411957 /nfs/dbraw/zinc/41/19/57/1070411957.db2.gz QAZPPZTTWWLBKN-NQIIRXRSSA-N 1 2 486.639 -0.020 20 0 JBADLO CCO[C@@]1(c2nnc(N(C)CC[NH+]3CCOCC3)n2C[C@H]2CCN(S(C)(=O)=O)C2)CCOC1 ZINC001314094699 1070411988 /nfs/dbraw/zinc/41/19/88/1070411988.db2.gz QAZPPZTTWWLBKN-RXVVDRJESA-N 1 2 486.639 -0.020 20 0 JBADLO CCO[C@]1(c2nnc(N(C)CC[NH+]3CCOCC3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)CCOC1 ZINC001314094701 1070412780 /nfs/dbraw/zinc/41/27/80/1070412780.db2.gz QAZPPZTTWWLBKN-WIYYLYMNSA-N 1 2 486.639 -0.020 20 0 JBADLO CCO[C@@]1(c2nnc(N(C)CC[NH+]3CCOCC3)n2CCN2CCCS2(=O)=O)CCOC1 ZINC001314096047 1070412962 /nfs/dbraw/zinc/41/29/62/1070412962.db2.gz SYSVWLNGYLZKBQ-FQEVSTJZSA-N 1 2 472.612 -0.266 20 0 JBADLO CCO[C@]1(c2nnc(N(C)CC[NH+]3CCOCC3)n2CCN2CCCS2(=O)=O)CCOC1 ZINC001314096052 1070412848 /nfs/dbraw/zinc/41/28/48/1070412848.db2.gz SYSVWLNGYLZKBQ-HXUWFJFHSA-N 1 2 472.612 -0.266 20 0 JBADLO CCO[C@]1(c2nnc(N3CCO[C@H](C(=O)NC)C3)n2CC[N@H+]2CCOCC2(C)C)CCOC1 ZINC001314144232 1070420038 /nfs/dbraw/zinc/42/00/38/1070420038.db2.gz ZBRKNYLSGDRAPY-HTAPYJJXSA-N 1 2 466.583 -0.008 20 0 JBADLO CCO[C@]1(c2nnc(N3CCO[C@H](C(=O)NC)C3)n2CC[N@@H+]2CCOCC2(C)C)CCOC1 ZINC001314144232 1070420033 /nfs/dbraw/zinc/42/00/33/1070420033.db2.gz ZBRKNYLSGDRAPY-HTAPYJJXSA-N 1 2 466.583 -0.008 20 0 JBADLO CCO[C@@]1(c2nnc(N3CCO[C@H](C(=O)NC)C3)n2CC[N@H+]2CCOCC2(C)C)CCOC1 ZINC001314144233 1070420285 /nfs/dbraw/zinc/42/02/85/1070420285.db2.gz ZBRKNYLSGDRAPY-JTSKRJEESA-N 1 2 466.583 -0.008 20 0 JBADLO CCO[C@@]1(c2nnc(N3CCO[C@H](C(=O)NC)C3)n2CC[N@@H+]2CCOCC2(C)C)CCOC1 ZINC001314144233 1070420275 /nfs/dbraw/zinc/42/02/75/1070420275.db2.gz ZBRKNYLSGDRAPY-JTSKRJEESA-N 1 2 466.583 -0.008 20 0 JBADLO CCO[C@]1(c2nnc(N3CCO[C@@H](C(=O)NC)C3)n2CC[N@H+]2CCOCC2(C)C)CCOC1 ZINC001314144234 1070420237 /nfs/dbraw/zinc/42/02/37/1070420237.db2.gz ZBRKNYLSGDRAPY-VGOFRKELSA-N 1 2 466.583 -0.008 20 0 JBADLO CCO[C@]1(c2nnc(N3CCO[C@@H](C(=O)NC)C3)n2CC[N@@H+]2CCOCC2(C)C)CCOC1 ZINC001314144234 1070420230 /nfs/dbraw/zinc/42/02/30/1070420230.db2.gz ZBRKNYLSGDRAPY-VGOFRKELSA-N 1 2 466.583 -0.008 20 0 JBADLO CCO[C@@]1(c2nnc(N3CCO[C@@H](C(=O)NC)C3)n2CC[N@H+]2CCOCC2(C)C)CCOC1 ZINC001314144235 1070420119 /nfs/dbraw/zinc/42/01/19/1070420119.db2.gz ZBRKNYLSGDRAPY-VGSWGCGISA-N 1 2 466.583 -0.008 20 0 JBADLO CCO[C@@]1(c2nnc(N3CCO[C@@H](C(=O)NC)C3)n2CC[N@@H+]2CCOCC2(C)C)CCOC1 ZINC001314144235 1070420107 /nfs/dbraw/zinc/42/01/07/1070420107.db2.gz ZBRKNYLSGDRAPY-VGSWGCGISA-N 1 2 466.583 -0.008 20 0 JBADLO CCOC1CC(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN(C)C(=O)C2)([NH+]2CCOCC2)C1 ZINC001314238837 1070421764 /nfs/dbraw/zinc/42/17/64/1070421764.db2.gz BSNUFMYIOFQAHY-BQJIDLTASA-N 1 2 499.638 -0.563 20 0 JBADLO CCOC1CC(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN(C)C(=O)C2)([NH+]2CCOCC2)C1 ZINC001314238840 1070421743 /nfs/dbraw/zinc/42/17/43/1070421743.db2.gz BSNUFMYIOFQAHY-ZGGTZUKQSA-N 1 2 499.638 -0.563 20 0 JBADLO CCOCc1nnc(N2CCN(C(=O)C(=O)NC(C)C)CC2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001314381962 1070425062 /nfs/dbraw/zinc/42/50/62/1070425062.db2.gz HMVQGLKADAVYFE-KRWDZBQOSA-N 1 2 451.572 -0.292 20 0 JBADLO CCOCc1nnc(N2CCN(C(=O)C(=O)NC(C)C)CC2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001314381963 1070425159 /nfs/dbraw/zinc/42/51/59/1070425159.db2.gz HMVQGLKADAVYFE-QGZVFWFLSA-N 1 2 451.572 -0.292 20 0 JBADLO CCOCc1nnc(N2CCN(C(=O)C(=O)N3CCOCC3)CC2)n1Cc1c[nH+]ccc1OC ZINC001314383195 1070424982 /nfs/dbraw/zinc/42/49/82/1070424982.db2.gz SCWFGYHCYKASJM-UHFFFAOYSA-N 1 2 473.534 -0.226 20 0 JBADLO CCOCc1nnc(N2CCN(C(=O)N3CCOCC3)CC2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001314385565 1070426629 /nfs/dbraw/zinc/42/66/29/1070426629.db2.gz MIYXNRQGFQCMHZ-UHFFFAOYSA-N 1 2 478.598 -0.447 20 0 JBADLO CCOC[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[NH+]2CCN(C(C)=O)CC2)C1 ZINC001314429377 1070427643 /nfs/dbraw/zinc/42/76/43/1070427643.db2.gz GLSUUSOQNCZVSF-AEFFLSMTSA-N 1 2 471.628 -0.085 20 0 JBADLO CCOC[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[NH+]2CCN(C(C)=O)CC2)C1 ZINC001314429378 1070427696 /nfs/dbraw/zinc/42/76/96/1070427696.db2.gz GLSUUSOQNCZVSF-FUHWJXTLSA-N 1 2 471.628 -0.085 20 0 JBADLO CCOC[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[NH+]2CCN(C(C)=O)CC2)C1 ZINC001314429379 1070427564 /nfs/dbraw/zinc/42/75/64/1070427564.db2.gz GLSUUSOQNCZVSF-SJLPKXTDSA-N 1 2 471.628 -0.085 20 0 JBADLO CCOC[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[NH+]2CCN(C(C)=O)CC2)C1 ZINC001314429380 1070427629 /nfs/dbraw/zinc/42/76/29/1070427629.db2.gz GLSUUSOQNCZVSF-WMZOPIPTSA-N 1 2 471.628 -0.085 20 0 JBADLO CCOCCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1([NH+]2CCOCC2)CC1 ZINC001314471225 1070428554 /nfs/dbraw/zinc/42/85/54/1070428554.db2.gz BBIOMDSQMIPMEA-KRWDZBQOSA-N 1 2 472.612 -0.052 20 0 JBADLO CCOCCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1([NH+]2CCOCC2)CC1 ZINC001314471226 1070428475 /nfs/dbraw/zinc/42/84/75/1070428475.db2.gz BBIOMDSQMIPMEA-QGZVFWFLSA-N 1 2 472.612 -0.052 20 0 JBADLO CCOCC[N@H+]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(=O)N2CCOCC2)C[C@@H]1CC ZINC001314502468 1070430874 /nfs/dbraw/zinc/43/08/74/1070430874.db2.gz ZKKNKAKFDVAZLQ-MOPGFXCFSA-N 1 2 498.650 -0.024 20 0 JBADLO CCOCC[N@@H+]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(=O)N2CCOCC2)C[C@@H]1CC ZINC001314502468 1070430871 /nfs/dbraw/zinc/43/08/71/1070430871.db2.gz ZKKNKAKFDVAZLQ-MOPGFXCFSA-N 1 2 498.650 -0.024 20 0 JBADLO CCOCC[N@H+]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(=O)N2CCOCC2)C[C@@H]1CC ZINC001314502469 1070431007 /nfs/dbraw/zinc/43/10/07/1070431007.db2.gz ZKKNKAKFDVAZLQ-OALUTQOASA-N 1 2 498.650 -0.024 20 0 JBADLO CCOCC[N@@H+]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(=O)N2CCOCC2)C[C@@H]1CC ZINC001314502469 1070430998 /nfs/dbraw/zinc/43/09/98/1070430998.db2.gz ZKKNKAKFDVAZLQ-OALUTQOASA-N 1 2 498.650 -0.024 20 0 JBADLO CCOCC[N@H+]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(=O)N2CCOCC2)C[C@H]1CC ZINC001314502470 1070430979 /nfs/dbraw/zinc/43/09/79/1070430979.db2.gz ZKKNKAKFDVAZLQ-RBUKOAKNSA-N 1 2 498.650 -0.024 20 0 JBADLO CCOCC[N@@H+]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(=O)N2CCOCC2)C[C@H]1CC ZINC001314502470 1070430975 /nfs/dbraw/zinc/43/09/75/1070430975.db2.gz ZKKNKAKFDVAZLQ-RBUKOAKNSA-N 1 2 498.650 -0.024 20 0 JBADLO CCOCC[N@H+]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(=O)N2CCOCC2)C[C@H]1CC ZINC001314502471 1070430897 /nfs/dbraw/zinc/43/08/97/1070430897.db2.gz ZKKNKAKFDVAZLQ-RTBURBONSA-N 1 2 498.650 -0.024 20 0 JBADLO CCOCC[N@@H+]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(=O)N2CCOCC2)C[C@H]1CC ZINC001314502471 1070430894 /nfs/dbraw/zinc/43/08/94/1070430894.db2.gz ZKKNKAKFDVAZLQ-RTBURBONSA-N 1 2 498.650 -0.024 20 0 JBADLO CCS(=O)(=O)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@H+]2CCCC[C@H]2C1 ZINC001314533092 1070434175 /nfs/dbraw/zinc/43/41/75/1070434175.db2.gz ABCJPPGDBLLQTQ-DLBZAZTESA-N 1 2 490.652 -0.280 20 0 JBADLO CCS(=O)(=O)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC001314533092 1070434173 /nfs/dbraw/zinc/43/41/73/1070434173.db2.gz ABCJPPGDBLLQTQ-DLBZAZTESA-N 1 2 490.652 -0.280 20 0 JBADLO CCS(=O)(=O)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@H+]2CCCC[C@@H]2C1 ZINC001314533093 1070434259 /nfs/dbraw/zinc/43/42/59/1070434259.db2.gz ABCJPPGDBLLQTQ-IAGOWNOFSA-N 1 2 490.652 -0.280 20 0 JBADLO CCS(=O)(=O)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC001314533093 1070434254 /nfs/dbraw/zinc/43/42/54/1070434254.db2.gz ABCJPPGDBLLQTQ-IAGOWNOFSA-N 1 2 490.652 -0.280 20 0 JBADLO CCS(=O)(=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@H+]2CCCC[C@H]2C1 ZINC001314533094 1070434240 /nfs/dbraw/zinc/43/42/40/1070434240.db2.gz ABCJPPGDBLLQTQ-IRXDYDNUSA-N 1 2 490.652 -0.280 20 0 JBADLO CCS(=O)(=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@@H+]2CCCC[C@H]2C1 ZINC001314533094 1070434236 /nfs/dbraw/zinc/43/42/36/1070434236.db2.gz ABCJPPGDBLLQTQ-IRXDYDNUSA-N 1 2 490.652 -0.280 20 0 JBADLO CCS(=O)(=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@H+]2CCCC[C@@H]2C1 ZINC001314533095 1070434191 /nfs/dbraw/zinc/43/41/91/1070434191.db2.gz ABCJPPGDBLLQTQ-SJORKVTESA-N 1 2 490.652 -0.280 20 0 JBADLO CCS(=O)(=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC001314533095 1070434188 /nfs/dbraw/zinc/43/41/88/1070434188.db2.gz ABCJPPGDBLLQTQ-SJORKVTESA-N 1 2 490.652 -0.280 20 0 JBADLO CCS(=O)(=O)NCCn1c(-c2cnccn2)nnc1N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC001314555790 1070442280 /nfs/dbraw/zinc/44/22/80/1070442280.db2.gz SDGQOUYJDQLLKL-HNNXBMFYSA-N 1 2 477.595 -0.537 20 0 JBADLO CCS(=O)(=O)NCCn1c(-c2cnccn2)nnc1N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC001314555791 1070442882 /nfs/dbraw/zinc/44/28/82/1070442882.db2.gz SDGQOUYJDQLLKL-OAHLLOKOSA-N 1 2 477.595 -0.537 20 0 JBADLO CN(C)C(=O)CN1CCN(c2nnc(C(=O)N3CCCC3)n2CC(C)(C)[NH+]2CCOCC2)CC1 ZINC001314643331 1070452248 /nfs/dbraw/zinc/45/22/48/1070452248.db2.gz MUBLZHTXBNIRAK-UHFFFAOYSA-N 1 2 476.626 -0.165 20 0 JBADLO CN(C)c1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@H](C(N)=O)C2)c[nH+]1 ZINC001314660744 1070456900 /nfs/dbraw/zinc/45/69/00/1070456900.db2.gz IQTSMEAOUHHTPA-CVEARBPZSA-N 1 2 478.579 -0.568 20 0 JBADLO CN(C)c1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@H](C(N)=O)C2)c[nH+]1 ZINC001314660745 1070457037 /nfs/dbraw/zinc/45/70/37/1070457037.db2.gz IQTSMEAOUHHTPA-HOTGVXAUSA-N 1 2 478.579 -0.568 20 0 JBADLO CN(C)c1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@@H](C(N)=O)C2)c[nH+]1 ZINC001314660746 1070456974 /nfs/dbraw/zinc/45/69/74/1070456974.db2.gz IQTSMEAOUHHTPA-HZPDHXFCSA-N 1 2 478.579 -0.568 20 0 JBADLO CN(C)c1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC[C@H](C(N)=O)C2)c[nH+]1 ZINC001314660747 1070456847 /nfs/dbraw/zinc/45/68/47/1070456847.db2.gz IQTSMEAOUHHTPA-JKSUJKDBSA-N 1 2 478.579 -0.568 20 0 JBADLO CN(CC[NH+]1CCOCC1)c1nnc(CN2CCCC2=O)n1C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001314874457 1070472537 /nfs/dbraw/zinc/47/25/37/1070472537.db2.gz VAGOZSSFVDKEPY-KRWDZBQOSA-N 1 2 469.612 -0.550 20 0 JBADLO CN(CC[NH+]1CCOCC1)c1nnc(CN2CCCC2=O)n1C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001314874458 1070472488 /nfs/dbraw/zinc/47/24/88/1070472488.db2.gz VAGOZSSFVDKEPY-QGZVFWFLSA-N 1 2 469.612 -0.550 20 0 JBADLO CN(CC[NH+]1CCOCC1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CCC1(O)CCC1 ZINC001314874468 1070472521 /nfs/dbraw/zinc/47/25/21/1070472521.db2.gz VLPJSYDLRCDUDR-KRWDZBQOSA-N 1 2 472.612 -0.316 20 0 JBADLO CN(CC[NH+]1CCOCC1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CCC1(O)CCC1 ZINC001314874469 1070472448 /nfs/dbraw/zinc/47/24/48/1070472448.db2.gz VLPJSYDLRCDUDR-QGZVFWFLSA-N 1 2 472.612 -0.316 20 0 JBADLO Cn1cccc1-c1nnc(N2CC[NH+](CC(=O)N3CCCC3)CC2)n1CCCNS(C)(=O)=O ZINC001314916973 1070477684 /nfs/dbraw/zinc/47/76/84/1070477684.db2.gz AUIOOBQUKZNXPK-UHFFFAOYSA-N 1 2 478.623 -0.033 20 0 JBADLO CNC(=O)[C@H](C)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1([NH+]2CCOCC2)CC1 ZINC001314949117 1070484296 /nfs/dbraw/zinc/48/42/96/1070484296.db2.gz FWLWPNHSMBSSJE-CABCVRRESA-N 1 2 457.601 -0.429 20 0 JBADLO CNC(=O)[C@@H](C)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1([NH+]2CCOCC2)CC1 ZINC001314949118 1070485079 /nfs/dbraw/zinc/48/50/79/1070485079.db2.gz FWLWPNHSMBSSJE-GJZGRUSLSA-N 1 2 457.601 -0.429 20 0 JBADLO CNC(=O)[C@H](C)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1([NH+]2CCOCC2)CC1 ZINC001314949119 1070484929 /nfs/dbraw/zinc/48/49/29/1070484929.db2.gz FWLWPNHSMBSSJE-HUUCEWRRSA-N 1 2 457.601 -0.429 20 0 JBADLO CNC(=O)[C@@H](C)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1([NH+]2CCOCC2)CC1 ZINC001314949120 1070485067 /nfs/dbraw/zinc/48/50/67/1070485067.db2.gz FWLWPNHSMBSSJE-LSDHHAIUSA-N 1 2 457.601 -0.429 20 0 JBADLO CNC(=O)[C@@H](C)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1([NH+]2CCOCC2)CC1 ZINC001314957767 1070484969 /nfs/dbraw/zinc/48/49/69/1070484969.db2.gz GWFAUIOFZBJHAA-DLBZAZTESA-N 1 2 499.638 -0.706 20 0 JBADLO CNC(=O)[C@H](C)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1([NH+]2CCOCC2)CC1 ZINC001314957768 1070485788 /nfs/dbraw/zinc/48/57/88/1070485788.db2.gz GWFAUIOFZBJHAA-IAGOWNOFSA-N 1 2 499.638 -0.706 20 0 JBADLO CNC(=O)[C@@H](C)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1([NH+]2CCOCC2)CC1 ZINC001314957769 1070485704 /nfs/dbraw/zinc/48/57/04/1070485704.db2.gz GWFAUIOFZBJHAA-IRXDYDNUSA-N 1 2 499.638 -0.706 20 0 JBADLO CNC(=O)[C@H](C)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1([NH+]2CCOCC2)CC1 ZINC001314957770 1070485687 /nfs/dbraw/zinc/48/56/87/1070485687.db2.gz GWFAUIOFZBJHAA-SJORKVTESA-N 1 2 499.638 -0.706 20 0 JBADLO CNC(=O)[C@]1(C)CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)[NH+]2CCOCC2)C1 ZINC001314973651 1070488068 /nfs/dbraw/zinc/48/80/68/1070488068.db2.gz XQFAOTXPYAKSIM-CBGDNZLLSA-N 1 2 499.638 -0.706 20 0 JBADLO CNC(=O)[C@]1(C)CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C)[NH+]2CCOCC2)C1 ZINC001314973653 1070487958 /nfs/dbraw/zinc/48/79/58/1070487958.db2.gz XQFAOTXPYAKSIM-CSODHUTKSA-N 1 2 499.638 -0.706 20 0 JBADLO CNC(=O)[C@]1(C)CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)[NH+]2CCOCC2)C1 ZINC001314973654 1070487992 /nfs/dbraw/zinc/48/79/92/1070487992.db2.gz XQFAOTXPYAKSIM-LLGFUMIMSA-N 1 2 499.638 -0.706 20 0 JBADLO CNC(=O)[C@]1(C)CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C)[NH+]2CCOCC2)C1 ZINC001314973655 1070488097 /nfs/dbraw/zinc/48/80/97/1070488097.db2.gz XQFAOTXPYAKSIM-XGHQBKJUSA-N 1 2 499.638 -0.706 20 0 JBADLO CNC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CC[NH+]2CCN(C(C)=O)CC2)CC1 ZINC001315002405 1070491147 /nfs/dbraw/zinc/49/11/47/1070491147.db2.gz ZMMUUEFKFWYBGI-UHFFFAOYSA-N 1 2 460.583 -0.473 20 0 JBADLO CNC(=O)[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CC(C)(C)[NH+]2CCOCC2)CCO1 ZINC001315008736 1070493709 /nfs/dbraw/zinc/49/37/09/1070493709.db2.gz GFGNNPPUGCJLTM-INIZCTEOSA-N 1 2 472.550 -0.013 20 0 JBADLO CNC(=O)[C@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CC(C)(C)[NH+]2CCOCC2)CCO1 ZINC001315008737 1070493669 /nfs/dbraw/zinc/49/36/69/1070493669.db2.gz GFGNNPPUGCJLTM-MRXNPFEDSA-N 1 2 472.550 -0.013 20 0 JBADLO CNC(=O)N1CCN(c2nnc(Cc3cccnc3)n2CC[NH+]2CCN(C(C)=O)CC2)CC1 ZINC001315057954 1070506914 /nfs/dbraw/zinc/50/69/14/1070506914.db2.gz RBQWBAPDMZQGIE-UHFFFAOYSA-N 1 2 455.567 -0.111 20 0 JBADLO CNC(=O)N1CCN(c2nnc(CN3CCCC3=O)n2CC[NH+]2CCN(C(C)=O)CC2)CC1 ZINC001315058614 1070507634 /nfs/dbraw/zinc/50/76/34/1070507634.db2.gz BYHNSBMIHOGVND-UHFFFAOYSA-N 1 2 461.571 -0.974 20 0 JBADLO CNS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001315068260 1070512460 /nfs/dbraw/zinc/51/24/60/1070512460.db2.gz HINSMBVUFYYCMA-HNNXBMFYSA-N 1 2 483.620 -0.247 20 0 JBADLO CNS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCc2c(cc[nH+]c2N(C)C)C1 ZINC001315068261 1070512327 /nfs/dbraw/zinc/51/23/27/1070512327.db2.gz HINSMBVUFYYCMA-OAHLLOKOSA-N 1 2 483.620 -0.247 20 0 JBADLO CNS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC001315070598 1070514130 /nfs/dbraw/zinc/51/41/30/1070514130.db2.gz SDJQOPQIDPWJPQ-AWEZNQCLSA-N 1 2 465.584 -0.983 20 0 JBADLO CNS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC001315070601 1070514107 /nfs/dbraw/zinc/51/41/07/1070514107.db2.gz SDJQOPQIDPWJPQ-CQSZACIVSA-N 1 2 465.584 -0.983 20 0 JBADLO CNS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001315073268 1070515481 /nfs/dbraw/zinc/51/54/81/1070515481.db2.gz LTTHRGVQHCMCQG-KRWDZBQOSA-N 1 2 496.638 -0.917 20 0 JBADLO CNS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001315073272 1070515393 /nfs/dbraw/zinc/51/53/93/1070515393.db2.gz LTTHRGVQHCMCQG-QGZVFWFLSA-N 1 2 496.638 -0.917 20 0 JBADLO CNS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001315073510 1070515446 /nfs/dbraw/zinc/51/54/46/1070515446.db2.gz XQSKZWCURMVKGG-GOSISDBHSA-N 1 2 490.634 -0.054 20 0 JBADLO CNS(=O)(=O)CCn1c(Cc2ccccn2)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001315073511 1070516173 /nfs/dbraw/zinc/51/61/73/1070516173.db2.gz XQSKZWCURMVKGG-SFHVURJKSA-N 1 2 490.634 -0.054 20 0 JBADLO COC(=O)C[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CC[N@H+]2CCOCC2(C)C)C[C@H]1O ZINC001315106130 1070517290 /nfs/dbraw/zinc/51/72/90/1070517290.db2.gz GLLLRCRXZUVNQA-IAGOWNOFSA-N 1 2 464.567 -0.015 20 0 JBADLO COC(=O)C[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2CC[N@@H+]2CCOCC2(C)C)C[C@H]1O ZINC001315106130 1070517275 /nfs/dbraw/zinc/51/72/75/1070517275.db2.gz GLLLRCRXZUVNQA-IAGOWNOFSA-N 1 2 464.567 -0.015 20 0 JBADLO COC(=O)C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CC[N@H+]2CCOC[C@H]2C)C[C@H]1O ZINC001315109512 1070517248 /nfs/dbraw/zinc/51/72/48/1070517248.db2.gz KIGXDNVXQILJTC-BRWVUGGUSA-N 1 2 450.540 -0.519 20 0 JBADLO COC(=O)C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CC[N@@H+]2CCOC[C@H]2C)C[C@H]1O ZINC001315109512 1070517240 /nfs/dbraw/zinc/51/72/40/1070517240.db2.gz KIGXDNVXQILJTC-BRWVUGGUSA-N 1 2 450.540 -0.519 20 0 JBADLO COC(=O)C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CC[N@H+]2CCOC[C@@H]2C)C[C@H]1O ZINC001315109513 1070516973 /nfs/dbraw/zinc/51/69/73/1070516973.db2.gz KIGXDNVXQILJTC-GVDBMIGSSA-N 1 2 450.540 -0.519 20 0 JBADLO COC(=O)C[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CC[N@@H+]2CCOC[C@@H]2C)C[C@H]1O ZINC001315109513 1070516954 /nfs/dbraw/zinc/51/69/54/1070516954.db2.gz KIGXDNVXQILJTC-GVDBMIGSSA-N 1 2 450.540 -0.519 20 0 JBADLO COC1(C)CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@H+]2CCOCC2(C)C)C1 ZINC001315259991 1070521181 /nfs/dbraw/zinc/52/11/81/1070521181.db2.gz BIFWYEVXSWUGBH-INIZCTEOSA-N 1 2 472.612 -0.053 20 0 JBADLO COC1(C)CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@@H+]2CCOCC2(C)C)C1 ZINC001315259991 1070521169 /nfs/dbraw/zinc/52/11/69/1070521169.db2.gz BIFWYEVXSWUGBH-INIZCTEOSA-N 1 2 472.612 -0.053 20 0 JBADLO COC1(C)CN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@H+]2CCOCC2(C)C)C1 ZINC001315259992 1070521120 /nfs/dbraw/zinc/52/11/20/1070521120.db2.gz BIFWYEVXSWUGBH-MRXNPFEDSA-N 1 2 472.612 -0.053 20 0 JBADLO COC1(C)CN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@@H+]2CCOCC2(C)C)C1 ZINC001315259992 1070521111 /nfs/dbraw/zinc/52/11/11/1070521111.db2.gz BIFWYEVXSWUGBH-MRXNPFEDSA-N 1 2 472.612 -0.053 20 0 JBADLO COc1ccccc1OCc1nnc(N2CCNC(=O)C2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001315654816 1070524796 /nfs/dbraw/zinc/52/47/96/1070524796.db2.gz SIQFYNJLFVMOTC-UHFFFAOYSA-N 1 2 457.535 -0.034 20 0 JBADLO COc1cc[nH+]cc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N(C)CCNS(C)(=O)=O ZINC001315671509 1070524467 /nfs/dbraw/zinc/52/44/67/1070524467.db2.gz GUYCHSHALIILBO-CYBMUJFWSA-N 1 2 458.566 -0.383 20 0 JBADLO COc1cc[nH+]cc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N(C)CCNS(C)(=O)=O ZINC001315671511 1070524731 /nfs/dbraw/zinc/52/47/31/1070524731.db2.gz GUYCHSHALIILBO-ZDUSSCGKSA-N 1 2 458.566 -0.383 20 0 JBADLO COC[C@@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](C)[NH+]2CCOCC2)C[C@@H](C)O1 ZINC001315929239 1070535497 /nfs/dbraw/zinc/53/54/97/1070535497.db2.gz LSGADOAWKFTXIY-NCOADZHNSA-N 1 2 460.601 -0.151 20 0 JBADLO COC[C@@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](C)[NH+]2CCOCC2)C[C@H](C)O1 ZINC001315929244 1070535471 /nfs/dbraw/zinc/53/54/71/1070535471.db2.gz LSGADOAWKFTXIY-QAETUUGQSA-N 1 2 460.601 -0.151 20 0 JBADLO COC[C@@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](C)[NH+]2CCOCC2)C[C@H](C)O1 ZINC001315929246 1070535613 /nfs/dbraw/zinc/53/56/13/1070535613.db2.gz LSGADOAWKFTXIY-QZWWFDLISA-N 1 2 460.601 -0.151 20 0 JBADLO COC[C@@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](C)[NH+]2CCOCC2)C[C@@H](C)O1 ZINC001315929248 1070535681 /nfs/dbraw/zinc/53/56/81/1070535681.db2.gz LSGADOAWKFTXIY-YVSFHVDLSA-N 1 2 460.601 -0.151 20 0 JBADLO COCCN1CCN(c2nnc([C@H]3OCC[C@H]3COC)n2CC[NH+]2CCN(C(C)=O)CC2)CC1=O ZINC001316145013 1070554370 /nfs/dbraw/zinc/55/43/70/1070554370.db2.gz HXGHNXLVELYUJF-FPOVZHCZSA-N 1 2 493.609 -0.539 20 0 JBADLO COCCNC(=O)C1CCN(c2nnc([C@H]3CCOC3)n2CC[NH+]2CCN(C(C)=O)CC2)CC1 ZINC001316151171 1070555058 /nfs/dbraw/zinc/55/50/58/1070555058.db2.gz ZYYAYZDPFJRIJE-FQEVSTJZSA-N 1 2 477.610 -0.075 20 0 JBADLO COCCNC(=O)C1CCN(c2nnc([C@@H]3CCOC3)n2CC[NH+]2CCN(C(C)=O)CC2)CC1 ZINC001316151172 1070554928 /nfs/dbraw/zinc/55/49/28/1070554928.db2.gz ZYYAYZDPFJRIJE-HXUWFJFHSA-N 1 2 477.610 -0.075 20 0 JBADLO COCCO[C@@H](C)c1nnc(N2CCN(C(C)=O)CC2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001316199059 1070559056 /nfs/dbraw/zinc/55/90/56/1070559056.db2.gz LKFFCVDPOYKBMY-KRWDZBQOSA-N 1 2 451.572 -0.165 20 0 JBADLO COCCO[C@H](C)c1nnc(N2CCN(C(C)=O)CC2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001316199060 1070559229 /nfs/dbraw/zinc/55/92/29/1070559229.db2.gz LKFFCVDPOYKBMY-QGZVFWFLSA-N 1 2 451.572 -0.165 20 0 JBADLO COCCO[C@H](C)c1nnc(N2CCN(S(C)(=O)=O)CC2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001316210772 1070560667 /nfs/dbraw/zinc/56/06/67/1070560667.db2.gz HIHQIZLHHMLGEC-DLBZAZTESA-N 1 2 460.601 -0.196 20 0 JBADLO COCCO[C@H](C)c1nnc(N2CCN(S(C)(=O)=O)CC2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001316210775 1070560590 /nfs/dbraw/zinc/56/05/90/1070560590.db2.gz HIHQIZLHHMLGEC-IAGOWNOFSA-N 1 2 460.601 -0.196 20 0 JBADLO COCCO[C@@H](C)c1nnc(N2CCN(S(C)(=O)=O)CC2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001316210778 1070560626 /nfs/dbraw/zinc/56/06/26/1070560626.db2.gz HIHQIZLHHMLGEC-IRXDYDNUSA-N 1 2 460.601 -0.196 20 0 JBADLO COCCO[C@@H](C)c1nnc(N2CCN(S(C)(=O)=O)CC2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001316210780 1070560912 /nfs/dbraw/zinc/56/09/12/1070560912.db2.gz HIHQIZLHHMLGEC-SJORKVTESA-N 1 2 460.601 -0.196 20 0 JBADLO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@H](C)CC(N)=O)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001316271822 1070564643 /nfs/dbraw/zinc/56/46/43/1070564643.db2.gz MLFYQNPVHUBWLC-AYBZRNKSSA-N 1 2 451.572 -0.134 20 0 JBADLO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)[C@@H](C)CC(N)=O)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001316271825 1070564668 /nfs/dbraw/zinc/56/46/68/1070564668.db2.gz MLFYQNPVHUBWLC-IEZWGBDMSA-N 1 2 451.572 -0.134 20 0 JBADLO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)CC[NH+]2CCOCC2)n1CC(=O)N1CCOCC1 ZINC001316278203 1070564734 /nfs/dbraw/zinc/56/47/34/1070564734.db2.gz UWXBUBYFWHGBJM-HKUYNNGSSA-N 1 2 452.556 -0.371 20 0 JBADLO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCC(OCC(N)=O)CC2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001316288343 1070565219 /nfs/dbraw/zinc/56/52/19/1070565219.db2.gz LLCJXCWZEPBXBV-RXVVDRJESA-N 1 2 493.609 -0.363 20 0 JBADLO CO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@H+]2CCOC[C@@H]2C)C1 ZINC001316316875 1070566826 /nfs/dbraw/zinc/56/68/26/1070566826.db2.gz JXRGICQRTBYPQT-BBWFWOEESA-N 1 2 458.585 -0.443 20 0 JBADLO CO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@@H+]2CCOC[C@@H]2C)C1 ZINC001316316875 1070566805 /nfs/dbraw/zinc/56/68/05/1070566805.db2.gz JXRGICQRTBYPQT-BBWFWOEESA-N 1 2 458.585 -0.443 20 0 JBADLO CO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@H+]2CCOC[C@H]2C)C1 ZINC001316316876 1070566913 /nfs/dbraw/zinc/56/69/13/1070566913.db2.gz JXRGICQRTBYPQT-BRWVUGGUSA-N 1 2 458.585 -0.443 20 0 JBADLO CO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@@H+]2CCOC[C@H]2C)C1 ZINC001316316876 1070566900 /nfs/dbraw/zinc/56/69/00/1070566900.db2.gz JXRGICQRTBYPQT-BRWVUGGUSA-N 1 2 458.585 -0.443 20 0 JBADLO CO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@H+]2CCOC[C@@H]2C)C1 ZINC001316316877 1070566531 /nfs/dbraw/zinc/56/65/31/1070566531.db2.gz JXRGICQRTBYPQT-GVDBMIGSSA-N 1 2 458.585 -0.443 20 0 JBADLO CO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@@H+]2CCOC[C@@H]2C)C1 ZINC001316316877 1070566521 /nfs/dbraw/zinc/56/65/21/1070566521.db2.gz JXRGICQRTBYPQT-GVDBMIGSSA-N 1 2 458.585 -0.443 20 0 JBADLO CO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@H+]2CCOC[C@H]2C)C1 ZINC001316316878 1070566737 /nfs/dbraw/zinc/56/67/37/1070566737.db2.gz JXRGICQRTBYPQT-ZACQAIPSSA-N 1 2 458.585 -0.443 20 0 JBADLO CO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@@H+]2CCOC[C@H]2C)C1 ZINC001316316878 1070566721 /nfs/dbraw/zinc/56/67/21/1070566721.db2.gz JXRGICQRTBYPQT-ZACQAIPSSA-N 1 2 458.585 -0.443 20 0 JBADLO CO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C)[NH+]2CCOCC2)C1 ZINC001316317404 1070566766 /nfs/dbraw/zinc/56/67/66/1070566766.db2.gz RMMMDAVTGQLOIQ-BBWFWOEESA-N 1 2 458.585 -0.443 20 0 JBADLO CO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)[NH+]2CCOCC2)C1 ZINC001316317405 1070566448 /nfs/dbraw/zinc/56/64/48/1070566448.db2.gz RMMMDAVTGQLOIQ-BRWVUGGUSA-N 1 2 458.585 -0.443 20 0 JBADLO CO[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C)[NH+]2CCOCC2)C1 ZINC001316317406 1070566558 /nfs/dbraw/zinc/56/65/58/1070566558.db2.gz RMMMDAVTGQLOIQ-GVDBMIGSSA-N 1 2 458.585 -0.443 20 0 JBADLO CO[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)[NH+]2CCOCC2)C1 ZINC001316317407 1070566938 /nfs/dbraw/zinc/56/69/38/1070566938.db2.gz RMMMDAVTGQLOIQ-ZACQAIPSSA-N 1 2 458.585 -0.443 20 0 JBADLO CS(=O)(=O)CCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[NH+](CC2CC2)CC1 ZINC001316347356 1070571181 /nfs/dbraw/zinc/57/11/81/1070571181.db2.gz MBGCAJJEAVBHTF-KRWDZBQOSA-N 1 2 490.652 -0.422 20 0 JBADLO CS(=O)(=O)CCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[NH+](CC2CC2)CC1 ZINC001316347358 1070571061 /nfs/dbraw/zinc/57/10/61/1070571061.db2.gz MBGCAJJEAVBHTF-QGZVFWFLSA-N 1 2 490.652 -0.422 20 0 JBADLO CS(=O)(=O)CCOCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](CC2CC2)CC1 ZINC001316351218 1070572259 /nfs/dbraw/zinc/57/22/59/1070572259.db2.gz JRUPERJORRGOMH-KRWDZBQOSA-N 1 2 475.637 -0.227 20 0 JBADLO CS(=O)(=O)CCOCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](CC2CC2)CC1 ZINC001316351235 1070572120 /nfs/dbraw/zinc/57/21/20/1070572120.db2.gz JRUPERJORRGOMH-QGZVFWFLSA-N 1 2 475.637 -0.227 20 0 JBADLO CS(=O)(=O)N1CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[N@@H+]2CC=CCC2)CC1 ZINC001316353106 1070574073 /nfs/dbraw/zinc/57/40/73/1070574073.db2.gz UFEOILNRLPEZKD-KRWDZBQOSA-N 1 2 472.637 -0.086 20 0 JBADLO CS(=O)(=O)N1CCCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[N@H+]2CC=CCC2)CC1 ZINC001316353106 1070574059 /nfs/dbraw/zinc/57/40/59/1070574059.db2.gz UFEOILNRLPEZKD-KRWDZBQOSA-N 1 2 472.637 -0.086 20 0 JBADLO CS(=O)(=O)N1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[N@@H+]2CC=CCC2)CC1 ZINC001316353107 1070574305 /nfs/dbraw/zinc/57/43/05/1070574305.db2.gz UFEOILNRLPEZKD-QGZVFWFLSA-N 1 2 472.637 -0.086 20 0 JBADLO CS(=O)(=O)N1CCCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[N@H+]2CC=CCC2)CC1 ZINC001316353107 1070574289 /nfs/dbraw/zinc/57/42/89/1070574289.db2.gz UFEOILNRLPEZKD-QGZVFWFLSA-N 1 2 472.637 -0.086 20 0 JBADLO CS(=O)(=O)NCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](CC2CC2)CC1 ZINC001316359091 1070581149 /nfs/dbraw/zinc/58/11/49/1070581149.db2.gz QVKUPPDOYHUOLC-INIZCTEOSA-N 1 2 460.626 -0.349 20 0 JBADLO CS(=O)(=O)NCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](CC2CC2)CC1 ZINC001316359092 1070581185 /nfs/dbraw/zinc/58/11/85/1070581185.db2.gz QVKUPPDOYHUOLC-MRXNPFEDSA-N 1 2 460.626 -0.349 20 0 JBADLO C[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@H+]2CCOCC2(C)C)C[C@@H]1O ZINC001316483374 1070585954 /nfs/dbraw/zinc/58/59/54/1070585954.db2.gz BGRLRTWSVOMZQV-FGTMMUONSA-N 1 2 486.639 -0.071 20 0 JBADLO C[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@@H+]2CCOCC2(C)C)C[C@@H]1O ZINC001316483374 1070585940 /nfs/dbraw/zinc/58/59/40/1070585940.db2.gz BGRLRTWSVOMZQV-FGTMMUONSA-N 1 2 486.639 -0.071 20 0 JBADLO C[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@H+]2CCOCC2(C)C)C[C@@H]1O ZINC001316483376 1070586148 /nfs/dbraw/zinc/58/61/48/1070586148.db2.gz BGRLRTWSVOMZQV-SQNIBIBYSA-N 1 2 486.639 -0.071 20 0 JBADLO C[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@@H+]2CCOCC2(C)C)C[C@@H]1O ZINC001316483376 1070586138 /nfs/dbraw/zinc/58/61/38/1070586138.db2.gz BGRLRTWSVOMZQV-SQNIBIBYSA-N 1 2 486.639 -0.071 20 0 JBADLO CCN(CC)S(=O)(=O)c1ccc(N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)nc1 ZINC001317801153 1070593800 /nfs/dbraw/zinc/59/38/00/1070593800.db2.gz PXBGHTDKZPXJRN-UHFFFAOYSA-N 1 2 460.626 -0.274 20 0 JBADLO COCCn1cnc2c1c(=O)n(CC(=O)NCC(C)(C)[NH+]1CCOCC1)c(=O)n2CC(C)C ZINC001317807969 1070593826 /nfs/dbraw/zinc/59/38/26/1070593826.db2.gz PMMAWHAVVYTPQL-UHFFFAOYSA-N 1 2 464.567 -0.111 20 0 JBADLO C[C@@H](NC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)C(=O)NCC(F)(F)F ZINC001317928549 1070596186 /nfs/dbraw/zinc/59/61/86/1070596186.db2.gz UFJBGZXAJQSMSA-CYBMUJFWSA-N 1 2 466.486 -0.100 20 0 JBADLO 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CS(=O)(=O)CC[C@H]1NC(=O)N(CC(=O)NCc2ccccc2C[NH+]2CCOCC2)C1=O ZINC001318345238 1070606562 /nfs/dbraw/zinc/60/65/62/1070606562.db2.gz ZTICQFYOGDROCX-QGZVFWFLSA-N 1 2 452.533 -0.510 20 0 JBADLO Cn1c(CCC(=O)N2CCC[N@@H+](CC(N)=O)CC2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC001321553361 1070612571 /nfs/dbraw/zinc/61/25/71/1070612571.db2.gz GTYISZQBWFCOIG-UHFFFAOYSA-N 1 2 492.602 -0.454 20 0 JBADLO Cn1c(CCC(=O)N2CCC[N@H+](CC(N)=O)CC2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC001321553361 1070612564 /nfs/dbraw/zinc/61/25/64/1070612564.db2.gz GTYISZQBWFCOIG-UHFFFAOYSA-N 1 2 492.602 -0.454 20 0 JBADLO Cc1nnc(N2CCN(C(=O)[C@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)CC2)c(C(N)=O)c1C ZINC001321584789 1070613308 /nfs/dbraw/zinc/61/33/08/1070613308.db2.gz AMEUUOKRNSNLJG-KRWDZBQOSA-N 1 2 459.551 -0.978 20 0 JBADLO Cc1nnc(N2CCN(C(=O)[C@@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)CC2)c(C(N)=O)c1C ZINC001321584792 1070613561 /nfs/dbraw/zinc/61/35/61/1070613561.db2.gz AMEUUOKRNSNLJG-QGZVFWFLSA-N 1 2 459.551 -0.978 20 0 JBADLO 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20 0 JBADLO CC(=O)N1CC[NH+](CCn2c(C(C)C)nnc2N2CCN(C(=O)C(=O)NC(C)C)CC2)CC1 ZINC001359400270 1070699151 /nfs/dbraw/zinc/69/91/51/1070699151.db2.gz GPEYBRLQRYINAT-UHFFFAOYSA-N 1 2 462.599 -0.261 20 0 JBADLO CC(=O)N(C)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[NH+]2CCN(C(C)=O)CC2)CC1 ZINC001359400478 1070699325 /nfs/dbraw/zinc/69/93/25/1070699325.db2.gz MGQAFBNOHZAFGA-INIZCTEOSA-N 1 2 498.654 -0.501 20 0 JBADLO CC(=O)N(C)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[NH+]2CCN(C(C)=O)CC2)CC1 ZINC001359400479 1070699373 /nfs/dbraw/zinc/69/93/73/1070699373.db2.gz MGQAFBNOHZAFGA-MRXNPFEDSA-N 1 2 498.654 -0.501 20 0 JBADLO CC(=O)N1CC[NH+](CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@H](C)O[C@@H](C)C2)CC1 ZINC001359400749 1070699304 /nfs/dbraw/zinc/69/93/04/1070699304.db2.gz WBIMEMRFJDVNEV-JYJNAYRXSA-N 1 2 457.601 -0.334 20 0 JBADLO CC(=O)N1CC[NH+](CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC001359400750 1070699285 /nfs/dbraw/zinc/69/92/85/1070699285.db2.gz WBIMEMRFJDVNEV-OAGGEKHMSA-N 1 2 457.601 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496.638 -0.841 20 0 JBADLO CC(=O)N1CC[NH+](CCn2c([C@@H]3CCC(=O)N3)nnc2N2CCC(CNS(C)(=O)=O)CC2)CC1 ZINC001359401094 1070699291 /nfs/dbraw/zinc/69/92/91/1070699291.db2.gz IDPCJZCMCHCBLS-SFHVURJKSA-N 1 2 496.638 -0.841 20 0 JBADLO CC(=O)N1CC[NH+](CCn2c([C@H]3CCOC3)nnc2N2CCN(S(C)(=O)=O)CC2)CC1 ZINC001359401278 1070700046 /nfs/dbraw/zinc/70/00/46/1070700046.db2.gz NMVLHFLFDHCXCW-KRWDZBQOSA-N 1 2 455.585 -0.972 20 0 JBADLO CC(=O)N1CC[NH+](CCn2c([C@@H]3CCOC3)nnc2N2CCN(S(C)(=O)=O)CC2)CC1 ZINC001359401279 1070700256 /nfs/dbraw/zinc/70/02/56/1070700256.db2.gz NMVLHFLFDHCXCW-QGZVFWFLSA-N 1 2 455.585 -0.972 20 0 JBADLO CC(=O)N1CC[NH+](CCn2c(Cn3nc(C)cc3C)nnc2N(C)CCNS(C)(=O)=O)CC1 ZINC001359401743 1070700167 /nfs/dbraw/zinc/70/01/67/1070700167.db2.gz BUJSXQTYKHJJOS-UHFFFAOYSA-N 1 2 481.627 -0.711 20 0 JBADLO CC(=O)N1CC[NH+](CCn2c(Cn3nc(C)cc3C)nnc2N2CC(=O)N(C)C[C@H]2C)CC1 ZINC001359401909 1070700724 /nfs/dbraw/zinc/70/07/24/1070700724.db2.gz HYPGDGFCQMGWDV-GOSISDBHSA-N 1 2 457.583 -0.029 20 0 JBADLO CC(=O)N1CC[NH+](CCn2c(Cn3nc(C)cc3C)nnc2N2CC(=O)N(C)C[C@@H]2C)CC1 ZINC001359401910 1070700780 /nfs/dbraw/zinc/70/07/80/1070700780.db2.gz HYPGDGFCQMGWDV-SFHVURJKSA-N 1 2 457.583 -0.029 20 0 JBADLO CC(=O)N1CC[NH+](CCn2c(Cn3nc(C)cc3C)nnc2N2CCN(S(C)(=O)=O)CC2)CC1 ZINC001359401928 1070700820 /nfs/dbraw/zinc/70/08/20/1070700820.db2.gz IKFWJIZRWGXUSE-UHFFFAOYSA-N 1 2 493.638 -0.615 20 0 JBADLO CC(=O)N1CC[NH+](CCn2c(Cc3ccccn3)nnc2N2CCN(S(C)(=O)=O)[C@@H](C)C2)CC1 ZINC001359402116 1070700898 /nfs/dbraw/zinc/70/08/98/1070700898.db2.gz OLNDRMDUKPHCTN-SFHVURJKSA-N 1 2 490.634 -0.102 20 0 JBADLO CC(=O)N1CC[NH+](CCn2c(Cc3ccccn3)nnc2N(C)CCNS(C)(=O)=O)CC1 ZINC001359402143 1070700969 /nfs/dbraw/zinc/70/09/69/1070700969.db2.gz PFEGWNUPCZUYBR-UHFFFAOYSA-N 1 2 464.596 -0.587 20 0 JBADLO CC(=O)N1CC[NH+](CCn2c(CNC(=O)c3cccs3)nnc2N2CC[C@H](C(N)=O)C2)CC1 ZINC001359402183 1070700687 /nfs/dbraw/zinc/70/06/87/1070700687.db2.gz QNCHFIHCGVRNPU-INIZCTEOSA-N 1 2 474.591 -0.255 20 0 JBADLO CC(=O)N1CC[NH+](CCn2c(CNC(=O)c3cccs3)nnc2N2CC[C@@H](C(N)=O)C2)CC1 ZINC001359402184 1070700637 /nfs/dbraw/zinc/70/06/37/1070700637.db2.gz QNCHFIHCGVRNPU-MRXNPFEDSA-N 1 2 474.591 -0.255 20 0 JBADLO CC(=O)N1CC[NH+](CCn2c(CN3CCCC3=O)nnc2N(C)CCN2CCOCC2)CC1 ZINC001359402365 1070700873 /nfs/dbraw/zinc/70/08/73/1070700873.db2.gz XWKMWCNAFHASRR-UHFFFAOYSA-N 1 2 462.599 -0.667 20 0 JBADLO CC(=O)N1CC[NH+](CCn2c(CN3CCCC3=O)nnc2N2CCN(S(C)(=O)=O)[C@@H](C)C2)CC1 ZINC001359402397 1070700754 /nfs/dbraw/zinc/70/07/54/1070700754.db2.gz ZGKLGVOXAQAZJB-KRWDZBQOSA-N 1 2 496.638 -0.965 20 0 JBADLO CC(=O)N1CC[NH+](CCn2c([C@H]3CCCO3)nnc2N2CCN(C(=O)C(=O)NC(C)C)CC2)CC1 ZINC001359402966 1070700951 /nfs/dbraw/zinc/70/09/51/1070700951.db2.gz SEQFZWYTTGKUSI-LJQANCHMSA-N 1 2 490.609 -0.533 20 0 JBADLO CC(=O)N1CC[NH+](CCn2c(N3CCN(C(=O)C(=O)NC4CC4)CC3)nnc2C(C)(C)C)CC1 ZINC001359403002 1070700922 /nfs/dbraw/zinc/70/09/22/1070700922.db2.gz UBSCLAQXSMBBDY-UHFFFAOYSA-N 1 2 474.610 -0.333 20 0 JBADLO CC(=O)N[C@@H]1CCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[NH+]2CCN(C(C)=O)CC2)C1 ZINC001359414886 1070701529 /nfs/dbraw/zinc/70/15/29/1070701529.db2.gz BCAHBYHKJUKQII-CRAIPNDOSA-N 1 2 484.627 -0.843 20 0 JBADLO CC(=O)N[C@@H]1CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[NH+]2CCN(C(C)=O)CC2)C1 ZINC001359414887 1070701453 /nfs/dbraw/zinc/70/14/53/1070701453.db2.gz BCAHBYHKJUKQII-MAUKXSAKSA-N 1 2 484.627 -0.843 20 0 JBADLO CC(=O)N[C@H]1CCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[NH+]2CCN(C(C)=O)CC2)C1 ZINC001359414888 1070701501 /nfs/dbraw/zinc/70/15/01/1070701501.db2.gz BCAHBYHKJUKQII-QAPCUYQASA-N 1 2 484.627 -0.843 20 0 JBADLO CC(=O)N[C@H]1CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[NH+]2CCN(C(C)=O)CC2)C1 ZINC001359414889 1070701323 /nfs/dbraw/zinc/70/13/23/1070701323.db2.gz BCAHBYHKJUKQII-YJBOKZPZSA-N 1 2 484.627 -0.843 20 0 JBADLO CC(=O)N[C@@H]1CCCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)[NH+]2CCOCC2)C1 ZINC001359420977 1070702473 /nfs/dbraw/zinc/70/24/73/1070702473.db2.gz NEZNCIJZFUUVNA-BHIYHBOVSA-N 1 2 499.638 -0.563 20 0 JBADLO CC(=O)N[C@@H]1CCCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)[NH+]2CCOCC2)C1 ZINC001359420978 1070702794 /nfs/dbraw/zinc/70/27/94/1070702794.db2.gz NEZNCIJZFUUVNA-QRQLOZEOSA-N 1 2 499.638 -0.563 20 0 JBADLO CC(=O)N[C@@H]1CCCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C)[NH+]2CCOCC2)C1 ZINC001359420979 1070702518 /nfs/dbraw/zinc/70/25/18/1070702518.db2.gz NEZNCIJZFUUVNA-QXAKKESOSA-N 1 2 499.638 -0.563 20 0 JBADLO CC(=O)N[C@@H]1CCCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C)[NH+]2CCOCC2)C1 ZINC001359420980 1070702425 /nfs/dbraw/zinc/70/24/25/1070702425.db2.gz NEZNCIJZFUUVNA-UHOSZYNNSA-N 1 2 499.638 -0.563 20 0 JBADLO CC(=O)NC[C@@H]1CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[N@H+]2CCOC[C@@H]2C)C1 ZINC001359432746 1070703789 /nfs/dbraw/zinc/70/37/89/1070703789.db2.gz VJKIEHORXDVBTQ-BQFCYCMXSA-N 1 2 471.628 -0.039 20 0 JBADLO CC(=O)NC[C@@H]1CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[N@@H+]2CCOC[C@@H]2C)C1 ZINC001359432746 1070703776 /nfs/dbraw/zinc/70/37/76/1070703776.db2.gz VJKIEHORXDVBTQ-BQFCYCMXSA-N 1 2 471.628 -0.039 20 0 JBADLO CC(=O)NC[C@@H]1CCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[N@H+]2CCOC[C@@H]2C)C1 ZINC001359432747 1070703963 /nfs/dbraw/zinc/70/39/63/1070703963.db2.gz VJKIEHORXDVBTQ-JZXOWHBKSA-N 1 2 471.628 -0.039 20 0 JBADLO CC(=O)NC[C@@H]1CCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[N@@H+]2CCOC[C@@H]2C)C1 ZINC001359432747 1070703955 /nfs/dbraw/zinc/70/39/55/1070703955.db2.gz VJKIEHORXDVBTQ-JZXOWHBKSA-N 1 2 471.628 -0.039 20 0 JBADLO CC(=O)NC[C@@H]1CCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[N@H+]2CCOC[C@H]2C)C1 ZINC001359432748 1070703916 /nfs/dbraw/zinc/70/39/16/1070703916.db2.gz VJKIEHORXDVBTQ-NUJGCVRESA-N 1 2 471.628 -0.039 20 0 JBADLO CC(=O)NC[C@@H]1CCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[N@@H+]2CCOC[C@H]2C)C1 ZINC001359432748 1070703909 /nfs/dbraw/zinc/70/39/09/1070703909.db2.gz VJKIEHORXDVBTQ-NUJGCVRESA-N 1 2 471.628 -0.039 20 0 JBADLO CC(=O)NC[C@@H]1CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[N@H+]2CCOC[C@H]2C)C1 ZINC001359432749 1070703995 /nfs/dbraw/zinc/70/39/95/1070703995.db2.gz VJKIEHORXDVBTQ-RYRKJORJSA-N 1 2 471.628 -0.039 20 0 JBADLO CC(=O)NC[C@@H]1CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[N@@H+]2CCOC[C@H]2C)C1 ZINC001359432749 1070703986 /nfs/dbraw/zinc/70/39/86/1070703986.db2.gz VJKIEHORXDVBTQ-RYRKJORJSA-N 1 2 471.628 -0.039 20 0 JBADLO CC(=O)NCC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](C)[NH+]2CCOCC2)CC1 ZINC001359440004 1070704349 /nfs/dbraw/zinc/70/43/49/1070704349.db2.gz KRTYBHSKUUXHDY-CVEARBPZSA-N 1 2 471.628 -0.039 20 0 JBADLO CC(=O)NCC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](C)[NH+]2CCOCC2)CC1 ZINC001359440005 1070704539 /nfs/dbraw/zinc/70/45/39/1070704539.db2.gz KRTYBHSKUUXHDY-HOTGVXAUSA-N 1 2 471.628 -0.039 20 0 JBADLO CC(=O)NCC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](C)[NH+]2CCOCC2)CC1 ZINC001359440006 1070704640 /nfs/dbraw/zinc/70/46/40/1070704640.db2.gz KRTYBHSKUUXHDY-HZPDHXFCSA-N 1 2 471.628 -0.039 20 0 JBADLO CC(=O)NCC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](C)[NH+]2CCOCC2)CC1 ZINC001359440007 1070704411 /nfs/dbraw/zinc/70/44/11/1070704411.db2.gz KRTYBHSKUUXHDY-JKSUJKDBSA-N 1 2 471.628 -0.039 20 0 JBADLO CC(=O)NCC1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[NH+]2CCN(C(C)=O)CC2)CC1 ZINC001359441875 1070704611 /nfs/dbraw/zinc/70/46/11/1070704611.db2.gz BLPGGDBWAMXPAH-IBGZPJMESA-N 1 2 460.583 -0.254 20 0 JBADLO CC(=O)NCC1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC[NH+]2CCN(C(C)=O)CC2)CC1 ZINC001359441876 1070704510 /nfs/dbraw/zinc/70/45/10/1070704510.db2.gz BLPGGDBWAMXPAH-LJQANCHMSA-N 1 2 460.583 -0.254 20 0 JBADLO CC(=O)NC[C@H]1CN(c2nnc([C@H]3CCCOC3)n2CC[NH+]2CCN(C(C)=O)CC2)CCO1 ZINC001359450441 1070707341 /nfs/dbraw/zinc/70/73/41/1070707341.db2.gz XYBUDVSURUUGHW-PMACEKPBSA-N 1 2 463.583 -0.323 20 0 JBADLO CC(=O)NC[C@H]1CN(c2nnc([C@@H]3CCCOC3)n2CC[NH+]2CCN(C(C)=O)CC2)CCO1 ZINC001359450442 1070707396 /nfs/dbraw/zinc/70/73/96/1070707396.db2.gz XYBUDVSURUUGHW-UXHICEINSA-N 1 2 463.583 -0.323 20 0 JBADLO CC(=O)NC[C@@H]1CN(c2nnc([C@H]3CCCOC3)n2CC[NH+]2CCN(C(C)=O)CC2)CCO1 ZINC001359450443 1070707217 /nfs/dbraw/zinc/70/72/17/1070707217.db2.gz XYBUDVSURUUGHW-VQTJNVASSA-N 1 2 463.583 -0.323 20 0 JBADLO CC(=O)NC[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2CC[NH+]2CCN(C(C)=O)CC2)CCO1 ZINC001359450444 1070707680 /nfs/dbraw/zinc/70/76/80/1070707680.db2.gz XYBUDVSURUUGHW-WOJBJXKFSA-N 1 2 463.583 -0.323 20 0 JBADLO CC(=O)NCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001359454708 1070708573 /nfs/dbraw/zinc/70/85/73/1070708573.db2.gz ULYUWOQOYJPRCR-DLBZAZTESA-N 1 2 498.654 -0.453 20 0 JBADLO CC(=O)NCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001359454709 1070708440 /nfs/dbraw/zinc/70/84/40/1070708440.db2.gz ULYUWOQOYJPRCR-IAGOWNOFSA-N 1 2 498.654 -0.453 20 0 JBADLO CC(=O)NCCCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001359454710 1070708352 /nfs/dbraw/zinc/70/83/52/1070708352.db2.gz ULYUWOQOYJPRCR-IRXDYDNUSA-N 1 2 498.654 -0.453 20 0 JBADLO CC(=O)NCCCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001359454711 1070708610 /nfs/dbraw/zinc/70/86/10/1070708610.db2.gz ULYUWOQOYJPRCR-SJORKVTESA-N 1 2 498.654 -0.453 20 0 JBADLO CC(=O)NCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[NH+](C[C@H]2CN(C(C)C)CCO2)CC1 ZINC001359458246 1070709310 /nfs/dbraw/zinc/70/93/10/1070709310.db2.gz IBOWKEWMMLBBDA-PMACEKPBSA-N 1 2 476.626 -0.013 20 0 JBADLO CC(=O)NCCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[NH+](C[C@@H]2CN(C(C)C)CCO2)CC1 ZINC001359458247 1070709228 /nfs/dbraw/zinc/70/92/28/1070709228.db2.gz IBOWKEWMMLBBDA-UXHICEINSA-N 1 2 476.626 -0.013 20 0 JBADLO CC(=O)NCCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[NH+](C[C@H]2CN(C(C)C)CCO2)CC1 ZINC001359458248 1070709270 /nfs/dbraw/zinc/70/92/70/1070709270.db2.gz IBOWKEWMMLBBDA-VQTJNVASSA-N 1 2 476.626 -0.013 20 0 JBADLO CC(=O)NCCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[NH+](C[C@@H]2CN(C(C)C)CCO2)CC1 ZINC001359458249 1070709021 /nfs/dbraw/zinc/70/90/21/1070709021.db2.gz IBOWKEWMMLBBDA-WOJBJXKFSA-N 1 2 476.626 -0.013 20 0 JBADLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(c2nnc(C(=O)N3CCCC3)n2CCNS(C)(=O)=O)CC1 ZINC001359478338 1070710380 /nfs/dbraw/zinc/71/03/80/1070710380.db2.gz RANLTXAXRHJKDX-KRWDZBQOSA-N 1 2 496.638 -0.804 20 0 JBADLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(c2nnc(C(=O)N3CCCC3)n2CCNS(C)(=O)=O)CC1 ZINC001359478339 1070710883 /nfs/dbraw/zinc/71/08/83/1070710883.db2.gz RANLTXAXRHJKDX-QGZVFWFLSA-N 1 2 496.638 -0.804 20 0 JBADLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(c2nnc(-c3cnccn3)n2CCS(=O)(=O)N(C)C)CC1 ZINC001359478438 1070710899 /nfs/dbraw/zinc/71/08/99/1070710899.db2.gz SKUQMEQHACXFFY-KRWDZBQOSA-N 1 2 491.622 -0.241 20 0 JBADLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(c2nnc(-c3cnccn3)n2CCS(=O)(=O)N(C)C)CC1 ZINC001359478439 1070711057 /nfs/dbraw/zinc/71/10/57/1070711057.db2.gz SKUQMEQHACXFFY-QGZVFWFLSA-N 1 2 491.622 -0.241 20 0 JBADLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(c2nnc(-c3cnccn3)n2CCNS(C)(=O)=O)CC1 ZINC001359478566 1070710925 /nfs/dbraw/zinc/71/09/25/1070710925.db2.gz VKLIYGHIYCKGFP-AWEZNQCLSA-N 1 2 463.568 -0.927 20 0 JBADLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(c2nnc(-c3cnccn3)n2CCNS(C)(=O)=O)CC1 ZINC001359478567 1070710834 /nfs/dbraw/zinc/71/08/34/1070710834.db2.gz VKLIYGHIYCKGFP-CQSZACIVSA-N 1 2 463.568 -0.927 20 0 JBADLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(c2nnc(-c3ccc[nH]3)n2CCNS(C)(=O)=O)CC1 ZINC001359478698 1070710964 /nfs/dbraw/zinc/71/09/64/1070710964.db2.gz YRSMDHHMAOFHAF-INIZCTEOSA-N 1 2 464.596 -0.045 20 0 JBADLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(c2nnc(-c3ccc[nH]3)n2CCNS(C)(=O)=O)CC1 ZINC001359478699 1070710799 /nfs/dbraw/zinc/71/07/99/1070710799.db2.gz YRSMDHHMAOFHAF-MRXNPFEDSA-N 1 2 464.596 -0.045 20 0 JBADLO CC(C)(C)[NH+]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(=O)N2CCOCC2)CC1 ZINC001359549286 1070711888 /nfs/dbraw/zinc/71/18/88/1070711888.db2.gz JLXAIHUWCRRBMB-INIZCTEOSA-N 1 2 454.597 -0.041 20 0 JBADLO CC(C)(C)[NH+]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(=O)N2CCOCC2)CC1 ZINC001359549287 1070712166 /nfs/dbraw/zinc/71/21/66/1070712166.db2.gz JLXAIHUWCRRBMB-MRXNPFEDSA-N 1 2 454.597 -0.041 20 0 JBADLO CC(C)[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCN(S(C)(=O)=O)CC1)[NH+]1CCOCC1 ZINC001359657040 1070715986 /nfs/dbraw/zinc/71/59/86/1070715986.db2.gz AKKMIWGALOYADU-GOSISDBHSA-N 1 2 483.639 -0.048 20 0 JBADLO CC(C)[C@H](Cn1c(C(=O)N2CCCC2)nnc1N1CCN(S(C)(=O)=O)CC1)[NH+]1CCOCC1 ZINC001359657041 1070715772 /nfs/dbraw/zinc/71/57/72/1070715772.db2.gz AKKMIWGALOYADU-SFHVURJKSA-N 1 2 483.639 -0.048 20 0 JBADLO CC(C)N1CC[NH+]([C@H]2CCN(c3nnc(-c4cnccn4)n3CCNS(C)(=O)=O)C2)CC1 ZINC001360156072 1070721496 /nfs/dbraw/zinc/72/14/96/1070721496.db2.gz PGQDMHYESAQPNQ-KRWDZBQOSA-N 1 2 463.612 -0.111 20 0 JBADLO CC(C)N1CC[NH+]([C@@H]2CCN(c3nnc(-c4cnccn4)n3CCNS(C)(=O)=O)C2)CC1 ZINC001360156073 1070722203 /nfs/dbraw/zinc/72/22/03/1070722203.db2.gz PGQDMHYESAQPNQ-QGZVFWFLSA-N 1 2 463.612 -0.111 20 0 JBADLO CC(C)N1CC[NH+]([C@@H]2CCN(c3nnc(-c4cnn(C)c4)n3CCNS(C)(=O)=O)C2)CC1 ZINC001360156279 1070722352 /nfs/dbraw/zinc/72/23/52/1070722352.db2.gz WIMDIIZRPNUOII-GOSISDBHSA-N 1 2 465.628 -0.168 20 0 JBADLO CC(C)N1CC[NH+]([C@H]2CCN(c3nnc(-c4cnn(C)c4)n3CCNS(C)(=O)=O)C2)CC1 ZINC001360156280 1070722140 /nfs/dbraw/zinc/72/21/40/1070722140.db2.gz WIMDIIZRPNUOII-SFHVURJKSA-N 1 2 465.628 -0.168 20 0 JBADLO CC(C)NC(=O)C(=O)N1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](C)[NH+]2CCOCC2)CC1 ZINC001360158937 1070722886 /nfs/dbraw/zinc/72/28/86/1070722886.db2.gz IOGFOTHGISIHOW-DLBZAZTESA-N 1 2 476.582 -0.877 20 0 JBADLO CC(C)NC(=O)C(=O)N1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](C)[NH+]2CCOCC2)CC1 ZINC001360158938 1070723027 /nfs/dbraw/zinc/72/30/27/1070723027.db2.gz IOGFOTHGISIHOW-IAGOWNOFSA-N 1 2 476.582 -0.877 20 0 JBADLO CC(C)NC(=O)C(=O)N1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](C)[NH+]2CCOCC2)CC1 ZINC001360158939 1070722764 /nfs/dbraw/zinc/72/27/64/1070722764.db2.gz IOGFOTHGISIHOW-IRXDYDNUSA-N 1 2 476.582 -0.877 20 0 JBADLO CC(C)NC(=O)C(=O)N1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](C)[NH+]2CCOCC2)CC1 ZINC001360158940 1070722911 /nfs/dbraw/zinc/72/29/11/1070722911.db2.gz IOGFOTHGISIHOW-SJORKVTESA-N 1 2 476.582 -0.877 20 0 JBADLO CC(C)NC(=O)C(=O)N1CCN(c2nnc([C@H]3CCOC3)n2CC[N@H+]2CCOC[C@H]2C)CC1 ZINC001360160213 1070724737 /nfs/dbraw/zinc/72/47/37/1070724737.db2.gz WYAKCLIBORLNCN-MSOLQXFVSA-N 1 2 463.583 -0.324 20 0 JBADLO CC(C)NC(=O)C(=O)N1CCN(c2nnc([C@H]3CCOC3)n2CC[N@@H+]2CCOC[C@H]2C)CC1 ZINC001360160213 1070724727 /nfs/dbraw/zinc/72/47/27/1070724727.db2.gz WYAKCLIBORLNCN-MSOLQXFVSA-N 1 2 463.583 -0.324 20 0 JBADLO CC(C)NC(=O)C(=O)N1CCN(c2nnc([C@@H]3CCOC3)n2CC[N@H+]2CCOC[C@H]2C)CC1 ZINC001360160214 1070725180 /nfs/dbraw/zinc/72/51/80/1070725180.db2.gz WYAKCLIBORLNCN-QZTJIDSGSA-N 1 2 463.583 -0.324 20 0 JBADLO CC(C)NC(=O)C(=O)N1CCN(c2nnc([C@@H]3CCOC3)n2CC[N@@H+]2CCOC[C@H]2C)CC1 ZINC001360160214 1070725168 /nfs/dbraw/zinc/72/51/68/1070725168.db2.gz WYAKCLIBORLNCN-QZTJIDSGSA-N 1 2 463.583 -0.324 20 0 JBADLO CC(C)NC(=O)C(=O)N1CCN(c2nnc([C@H]3CCOC3)n2CC[N@H+]2CCOC[C@@H]2C)CC1 ZINC001360160215 1070725296 /nfs/dbraw/zinc/72/52/96/1070725296.db2.gz WYAKCLIBORLNCN-ROUUACIJSA-N 1 2 463.583 -0.324 20 0 JBADLO CC(C)NC(=O)C(=O)N1CCN(c2nnc([C@H]3CCOC3)n2CC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC001360160215 1070725287 /nfs/dbraw/zinc/72/52/87/1070725287.db2.gz WYAKCLIBORLNCN-ROUUACIJSA-N 1 2 463.583 -0.324 20 0 JBADLO CC(C)NC(=O)C(=O)N1CCN(c2nnc([C@@H]3CCOC3)n2CC[N@H+]2CCOC[C@@H]2C)CC1 ZINC001360160216 1070725363 /nfs/dbraw/zinc/72/53/63/1070725363.db2.gz WYAKCLIBORLNCN-ZWKOTPCHSA-N 1 2 463.583 -0.324 20 0 JBADLO CC(C)NC(=O)C(=O)N1CCN(c2nnc([C@@H]3CCOC3)n2CC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC001360160216 1070725355 /nfs/dbraw/zinc/72/53/55/1070725355.db2.gz WYAKCLIBORLNCN-ZWKOTPCHSA-N 1 2 463.583 -0.324 20 0 JBADLO CC(C)NC(=O)c1nnc(N(C)CCNS(C)(=O)=O)n1C[C@@]1([NH+]2CCOCC2)CCSC1 ZINC001360180254 1070725801 /nfs/dbraw/zinc/72/58/01/1070725801.db2.gz NMDVAAUJMZUZKP-IBGZPJMESA-N 1 2 489.668 -0.390 20 0 JBADLO CC(C)NC(=O)c1nnc(N(C)CCNS(C)(=O)=O)n1C[C@]1([NH+]2CCOCC2)CCSC1 ZINC001360180255 1070725938 /nfs/dbraw/zinc/72/59/38/1070725938.db2.gz NMDVAAUJMZUZKP-LJQANCHMSA-N 1 2 489.668 -0.390 20 0 JBADLO CC(C)NC(=O)c1nnc(N2CCC(OCC(N)=O)CC2)n1CC[N@H+]1CCOCC1(C)C ZINC001360211567 1070727133 /nfs/dbraw/zinc/72/71/33/1070727133.db2.gz JXZQUVNSFBJRKO-UHFFFAOYSA-N 1 2 451.572 -0.002 20 0 JBADLO CC(C)NC(=O)c1nnc(N2CCC(OCC(N)=O)CC2)n1CC[N@@H+]1CCOCC1(C)C ZINC001360211567 1070727127 /nfs/dbraw/zinc/72/71/27/1070727127.db2.gz JXZQUVNSFBJRKO-UHFFFAOYSA-N 1 2 451.572 -0.002 20 0 JBADLO CC(C)NC(=O)c1nnc(N2CC[NH+](C3CCOCC3)CC2)n1C[C@@]1(O)CCS(=O)(=O)C1 ZINC001360241341 1070731512 /nfs/dbraw/zinc/73/15/12/1070731512.db2.gz KHBZHTVTSUDEFX-FQEVSTJZSA-N 1 2 470.596 -0.733 20 0 JBADLO CC(C)NC(=O)c1nnc(N2CC[NH+](C3CCOCC3)CC2)n1C[C@]1(O)CCS(=O)(=O)C1 ZINC001360241342 1070731627 /nfs/dbraw/zinc/73/16/27/1070731627.db2.gz KHBZHTVTSUDEFX-HXUWFJFHSA-N 1 2 470.596 -0.733 20 0 JBADLO CC(C)NC(=O)CN1CCN(c2nnc(CN3CCCC3=O)n2CC[N@H+]2CCOC[C@@H]2C)CC1 ZINC001360301620 1070737127 /nfs/dbraw/zinc/73/71/27/1070737127.db2.gz DCXYKDYPVYVLCW-IBGZPJMESA-N 1 2 476.626 -0.232 20 0 JBADLO CC(C)NC(=O)CN1CCN(c2nnc(CN3CCCC3=O)n2CC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC001360301620 1070737119 /nfs/dbraw/zinc/73/71/19/1070737119.db2.gz DCXYKDYPVYVLCW-IBGZPJMESA-N 1 2 476.626 -0.232 20 0 JBADLO CC(C)NC(=O)CN1CCN(c2nnc(CN3CCCC3=O)n2CC[N@H+]2CCOC[C@H]2C)CC1 ZINC001360301623 1070737222 /nfs/dbraw/zinc/73/72/22/1070737222.db2.gz DCXYKDYPVYVLCW-LJQANCHMSA-N 1 2 476.626 -0.232 20 0 JBADLO CC(C)NC(=O)CN1CCN(c2nnc(CN3CCCC3=O)n2CC[N@@H+]2CCOC[C@H]2C)CC1 ZINC001360301623 1070737211 /nfs/dbraw/zinc/73/72/11/1070737211.db2.gz DCXYKDYPVYVLCW-LJQANCHMSA-N 1 2 476.626 -0.232 20 0 JBADLO CC(C)NS(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC001360313710 1070737721 /nfs/dbraw/zinc/73/77/21/1070737721.db2.gz RNBINWTXKSMVOA-UHFFFAOYSA-N 1 2 493.638 -0.249 20 0 JBADLO C[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](C)(C(N)=O)C1)[NH+]1CCOCC1 ZINC001360570962 1070741919 /nfs/dbraw/zinc/74/19/19/1070741919.db2.gz QBJAPBSJCOOLKQ-GQIGUUNPSA-N 1 2 485.611 -0.967 20 0 JBADLO C[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](C)(C(N)=O)C1)[NH+]1CCOCC1 ZINC001360570966 1070741731 /nfs/dbraw/zinc/74/17/31/1070741731.db2.gz QBJAPBSJCOOLKQ-GUXCAODWSA-N 1 2 485.611 -0.967 20 0 JBADLO C[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](C)(C(N)=O)C1)[NH+]1CCOCC1 ZINC001360570967 1070742037 /nfs/dbraw/zinc/74/20/37/1070742037.db2.gz QBJAPBSJCOOLKQ-JXXFODFXSA-N 1 2 485.611 -0.967 20 0 JBADLO C[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](C)(C(N)=O)C1)[NH+]1CCOCC1 ZINC001360570968 1070741942 /nfs/dbraw/zinc/74/19/42/1070741942.db2.gz QBJAPBSJCOOLKQ-QINHECLXSA-N 1 2 485.611 -0.967 20 0 JBADLO C[C@H](NS(C)(=O)=O)c1nnc(N(C)CC[NH+]2CCOCC2)n1Cc1ccc(C(N)=O)cc1 ZINC001360661820 1070745600 /nfs/dbraw/zinc/74/56/00/1070745600.db2.gz FBXLSEPPPWVADO-HNNXBMFYSA-N 1 2 465.580 -0.196 20 0 JBADLO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)CC[NH+]2CCOCC2)n1Cc1ccc(C(N)=O)cc1 ZINC001360661821 1070746634 /nfs/dbraw/zinc/74/66/34/1070746634.db2.gz FBXLSEPPPWVADO-OAHLLOKOSA-N 1 2 465.580 -0.196 20 0 JBADLO C[C@H](NS(C)(=O)=O)c1nnc(N(C)CC[NH+]2CCOCC2)n1CC1(C(N)=O)CCCC1 ZINC001360662380 1070746608 /nfs/dbraw/zinc/74/66/08/1070746608.db2.gz NUSRTZRBMHDWQD-HNNXBMFYSA-N 1 2 457.601 -0.298 20 0 JBADLO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)CC[NH+]2CCOCC2)n1CC1(C(N)=O)CCCC1 ZINC001360662381 1070746265 /nfs/dbraw/zinc/74/62/65/1070746265.db2.gz NUSRTZRBMHDWQD-OAHLLOKOSA-N 1 2 457.601 -0.298 20 0 JBADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CC(=O)N(C)C[C@H]2C)n1CC1([NH+]2CCOCC2)CC1 ZINC001360667233 1070747037 /nfs/dbraw/zinc/74/70/37/1070747037.db2.gz NQBQGZXEAYWEHU-CABCVRRESA-N 1 2 455.585 -0.580 20 0 JBADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CC(=O)N(C)C[C@@H]2C)n1CC1([NH+]2CCOCC2)CC1 ZINC001360667238 1070747893 /nfs/dbraw/zinc/74/78/93/1070747893.db2.gz NQBQGZXEAYWEHU-GJZGRUSLSA-N 1 2 455.585 -0.580 20 0 JBADLO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC(=O)N(C)C[C@H]2C)n1CC1([NH+]2CCOCC2)CC1 ZINC001360667239 1070747644 /nfs/dbraw/zinc/74/76/44/1070747644.db2.gz NQBQGZXEAYWEHU-HUUCEWRRSA-N 1 2 455.585 -0.580 20 0 JBADLO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC(=O)N(C)C[C@@H]2C)n1CC1([NH+]2CCOCC2)CC1 ZINC001360667240 1070747820 /nfs/dbraw/zinc/74/78/20/1070747820.db2.gz NQBQGZXEAYWEHU-LSDHHAIUSA-N 1 2 455.585 -0.580 20 0 JBADLO C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(NS(C)(=O)=O)CC1)[NH+]1CCOCC1 ZINC001360684037 1070750863 /nfs/dbraw/zinc/75/08/63/1070750863.db2.gz JBPRVIWTDFAACO-CABCVRRESA-N 1 2 493.656 -0.873 20 0 JBADLO C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(NS(C)(=O)=O)CC1)[NH+]1CCOCC1 ZINC001360684038 1070751044 /nfs/dbraw/zinc/75/10/44/1070751044.db2.gz JBPRVIWTDFAACO-GJZGRUSLSA-N 1 2 493.656 -0.873 20 0 JBADLO C[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(NS(C)(=O)=O)CC1)[NH+]1CCOCC1 ZINC001360684039 1070750900 /nfs/dbraw/zinc/75/09/00/1070750900.db2.gz JBPRVIWTDFAACO-HUUCEWRRSA-N 1 2 493.656 -0.873 20 0 JBADLO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(NS(C)(=O)=O)CC2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001360684040 1070750846 /nfs/dbraw/zinc/75/08/46/1070750846.db2.gz JBPRVIWTDFAACO-LSDHHAIUSA-N 1 2 493.656 -0.873 20 0 JBADLO C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC2(COC(=O)N2)CC1)[NH+]1CCOCC1 ZINC001360684739 1070751448 /nfs/dbraw/zinc/75/14/48/1070751448.db2.gz DQERUOKYEOMZDZ-CABCVRRESA-N 1 2 471.584 -0.312 20 0 JBADLO C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC2(COC(=O)N2)CC1)[NH+]1CCOCC1 ZINC001360684740 1070751563 /nfs/dbraw/zinc/75/15/63/1070751563.db2.gz DQERUOKYEOMZDZ-GJZGRUSLSA-N 1 2 471.584 -0.312 20 0 JBADLO C[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC2(COC(=O)N2)CC1)[NH+]1CCOCC1 ZINC001360684741 1070751403 /nfs/dbraw/zinc/75/14/03/1070751403.db2.gz DQERUOKYEOMZDZ-HUUCEWRRSA-N 1 2 471.584 -0.312 20 0 JBADLO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC3(COC(=O)N3)CC2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001360684742 1070751336 /nfs/dbraw/zinc/75/13/36/1070751336.db2.gz DQERUOKYEOMZDZ-LSDHHAIUSA-N 1 2 471.584 -0.312 20 0 JBADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C3CCOCC3)CC2)n1CCCS(C)(=O)=O ZINC001360707973 1070763133 /nfs/dbraw/zinc/76/31/33/1070763133.db2.gz OBRUATSWGOYLKE-HNNXBMFYSA-N 1 2 478.641 -0.376 20 0 JBADLO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C3CCOCC3)CC2)n1CCCS(C)(=O)=O ZINC001360707974 1070763269 /nfs/dbraw/zinc/76/32/69/1070763269.db2.gz OBRUATSWGOYLKE-OAHLLOKOSA-N 1 2 478.641 -0.376 20 0 JBADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C3CCC3)CC2)n1C[C@]1(O)CCS(=O)(=O)C1 ZINC001360708049 1070763181 /nfs/dbraw/zinc/76/31/81/1070763181.db2.gz PJHKEBSOGXGMOH-KBXCAEBGSA-N 1 2 476.625 -0.888 20 0 JBADLO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C3CCC3)CC2)n1C[C@@]1(O)CCS(=O)(=O)C1 ZINC001360708050 1070763098 /nfs/dbraw/zinc/76/30/98/1070763098.db2.gz PJHKEBSOGXGMOH-KDOFPFPSSA-N 1 2 476.625 -0.888 20 0 JBADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C3CCC3)CC2)n1C[C@@]1(O)CCS(=O)(=O)C1 ZINC001360708051 1070763484 /nfs/dbraw/zinc/76/34/84/1070763484.db2.gz PJHKEBSOGXGMOH-KSSFIOAISA-N 1 2 476.625 -0.888 20 0 JBADLO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C3CCC3)CC2)n1C[C@]1(O)CCS(=O)(=O)C1 ZINC001360708052 1070763885 /nfs/dbraw/zinc/76/38/85/1070763885.db2.gz PJHKEBSOGXGMOH-RDTXWAMCSA-N 1 2 476.625 -0.888 20 0 JBADLO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C3CCC3)CC2)n1C[C@@H]1CCS(=O)(=O)C1 ZINC001360708423 1070764777 /nfs/dbraw/zinc/76/47/77/1070764777.db2.gz WGEKDCMVUKYFJM-CABCVRRESA-N 1 2 460.626 -0.003 20 0 JBADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C3CCC3)CC2)n1C[C@@H]1CCS(=O)(=O)C1 ZINC001360708424 1070764717 /nfs/dbraw/zinc/76/47/17/1070764717.db2.gz WGEKDCMVUKYFJM-GJZGRUSLSA-N 1 2 460.626 -0.003 20 0 JBADLO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C3CCC3)CC2)n1C[C@H]1CCS(=O)(=O)C1 ZINC001360708425 1070764601 /nfs/dbraw/zinc/76/46/01/1070764601.db2.gz WGEKDCMVUKYFJM-HUUCEWRRSA-N 1 2 460.626 -0.003 20 0 JBADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C3CCC3)CC2)n1C[C@H]1CCS(=O)(=O)C1 ZINC001360708426 1070764545 /nfs/dbraw/zinc/76/45/45/1070764545.db2.gz WGEKDCMVUKYFJM-LSDHHAIUSA-N 1 2 460.626 -0.003 20 0 JBADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CCNC(=O)C2)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001360709341 1070769404 /nfs/dbraw/zinc/76/94/04/1070769404.db2.gz MGNIJVTWTFTDDE-AWEZNQCLSA-N 1 2 464.552 -0.896 20 0 JBADLO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCNC(=O)C2)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001360709342 1070769489 /nfs/dbraw/zinc/76/94/89/1070769489.db2.gz MGNIJVTWTFTDDE-CQSZACIVSA-N 1 2 464.552 -0.896 20 0 JBADLO C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1)[NH+]1CCOCC1 ZINC001360713758 1070773602 /nfs/dbraw/zinc/77/36/02/1070773602.db2.gz MQHZKWHGIZGEDP-AXVVYFOYSA-N 1 2 472.612 -0.007 20 0 JBADLO C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@]2(CCO[C@@H]2C)C1)[NH+]1CCOCC1 ZINC001360713759 1070773773 /nfs/dbraw/zinc/77/37/73/1070773773.db2.gz MQHZKWHGIZGEDP-MIALQEHNSA-N 1 2 472.612 -0.007 20 0 JBADLO C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@]2(CCO[C@H]2C)C1)[NH+]1CCOCC1 ZINC001360713760 1070773627 /nfs/dbraw/zinc/77/36/27/1070773627.db2.gz MQHZKWHGIZGEDP-NHAYFPRASA-N 1 2 472.612 -0.007 20 0 JBADLO C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCO[C@]2(CCO[C@H]2C)C1)[NH+]1CCOCC1 ZINC001360713761 1070773801 /nfs/dbraw/zinc/77/38/01/1070773801.db2.gz MQHZKWHGIZGEDP-OGNFBWPZSA-N 1 2 472.612 -0.007 20 0 JBADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H]3[C@@H](CC(=O)N3C)C2)n1CC[N@H+]1CCOC[C@H]1C ZINC001360718360 1070774478 /nfs/dbraw/zinc/77/44/78/1070774478.db2.gz LLZXOVLQOCWJJP-LTIDMASMSA-N 1 2 469.612 -0.334 20 0 JBADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H]3[C@@H](CC(=O)N3C)C2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001360718360 1070774462 /nfs/dbraw/zinc/77/44/62/1070774462.db2.gz LLZXOVLQOCWJJP-LTIDMASMSA-N 1 2 469.612 -0.334 20 0 JBADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H]3[C@@H](CC(=O)N3C)C2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001360718361 1070775060 /nfs/dbraw/zinc/77/50/60/1070775060.db2.gz LLZXOVLQOCWJJP-LUKYLMHMSA-N 1 2 469.612 -0.334 20 0 JBADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H]3[C@@H](CC(=O)N3C)C2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001360718361 1070775045 /nfs/dbraw/zinc/77/50/45/1070775045.db2.gz LLZXOVLQOCWJJP-LUKYLMHMSA-N 1 2 469.612 -0.334 20 0 JBADLO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H]3[C@@H](CC(=O)N3C)C2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001360718362 1070774929 /nfs/dbraw/zinc/77/49/29/1070774929.db2.gz LLZXOVLQOCWJJP-VVLHAWIVSA-N 1 2 469.612 -0.334 20 0 JBADLO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H]3[C@@H](CC(=O)N3C)C2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001360718362 1070774917 /nfs/dbraw/zinc/77/49/17/1070774917.db2.gz LLZXOVLQOCWJJP-VVLHAWIVSA-N 1 2 469.612 -0.334 20 0 JBADLO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H]3[C@@H](CC(=O)N3C)C2)n1CC[N@H+]1CCOC[C@H]1C ZINC001360718363 1070775202 /nfs/dbraw/zinc/77/52/02/1070775202.db2.gz LLZXOVLQOCWJJP-WCXIOVBPSA-N 1 2 469.612 -0.334 20 0 JBADLO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H]3[C@@H](CC(=O)N3C)C2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001360718363 1070775192 /nfs/dbraw/zinc/77/51/92/1070775192.db2.gz LLZXOVLQOCWJJP-WCXIOVBPSA-N 1 2 469.612 -0.334 20 0 JBADLO CC(C)(Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](C)(C(N)=O)C1)[NH+]1CCOCC1 ZINC001360797177 1070776369 /nfs/dbraw/zinc/77/63/69/1070776369.db2.gz LTBQALXOLUSXDG-HRAATJIYSA-N 1 2 499.638 -0.577 20 0 JBADLO CC(C)(Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](C)(C(N)=O)C1)[NH+]1CCOCC1 ZINC001360797178 1070776442 /nfs/dbraw/zinc/77/64/42/1070776442.db2.gz LTBQALXOLUSXDG-IERDGZPVSA-N 1 2 499.638 -0.577 20 0 JBADLO CC(C)(Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](C)(C(N)=O)C1)[NH+]1CCOCC1 ZINC001360797179 1070776187 /nfs/dbraw/zinc/77/61/87/1070776187.db2.gz LTBQALXOLUSXDG-IIBYNOLFSA-N 1 2 499.638 -0.577 20 0 JBADLO CC(C)(Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](C)(C(N)=O)C1)[NH+]1CCOCC1 ZINC001360797180 1070776341 /nfs/dbraw/zinc/77/63/41/1070776341.db2.gz LTBQALXOLUSXDG-KKSFZXQISA-N 1 2 499.638 -0.577 20 0 JBADLO C[C@@H](NC(=O)CCc1ccccc1)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC001441233049 1070795644 /nfs/dbraw/zinc/79/56/44/1070795644.db2.gz BKHYSTCDUYTQNM-GOSISDBHSA-N 1 2 451.593 -0.240 20 0 JBADLO Cc1nn(C)c(-n2cc[nH+]c2C)c1C(=O)N1CCN(S(=O)(=O)N2CCN(C)CC2)CC1 ZINC001441239510 1070795429 /nfs/dbraw/zinc/79/54/29/1070795429.db2.gz RKEKVNSQGBHYAM-UHFFFAOYSA-N 1 2 450.569 -0.527 20 0 JBADLO CC1=NS(=O)(=O)N(C)C=C1C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001441536916 1070797019 /nfs/dbraw/zinc/79/70/19/1070797019.db2.gz ZWFFKCACLZQCLW-UHFFFAOYSA-N 1 2 456.550 -0.815 20 0 JBADLO Cn1cc([C@@H]2[C@@H](C(=O)NCc3cccc(OCC[NH+]4CCOCC4)c3)[C@@H](O)C(=O)N2C)cn1 ZINC001442333679 1070798618 /nfs/dbraw/zinc/79/86/18/1070798618.db2.gz TZPOXWTUDRGMDV-NJDAHSKKSA-N 1 2 457.531 -0.062 20 0 JBADLO NC(=O)CNS(=O)(=O)c1ccc(C(=O)N2CC[NH+](CCCOCC(F)(F)F)CC2)o1 ZINC001442353753 1070798584 /nfs/dbraw/zinc/79/85/84/1070798584.db2.gz SRFLVSAHXUTUQI-UHFFFAOYSA-N 1 2 456.443 -0.230 20 0 JBADLO Cc1nc(N2CCOCC2)[nH]c(=O)c1CCC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1 ZINC001443513334 1070802683 /nfs/dbraw/zinc/80/26/83/1070802683.db2.gz GGDFHYSTKIWNQL-UHFFFAOYSA-N 1 2 455.581 -0.115 20 0 JBADLO CC(=O)NCC(=O)N1CCc2cc(C(=O)N[C@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)ccc21 ZINC001444636492 1070806251 /nfs/dbraw/zinc/80/62/51/1070806251.db2.gz ISFVABSLOPJDLY-IBGZPJMESA-N 1 2 457.531 -0.625 20 0 JBADLO CC(=O)NCC(=O)N1CCc2cc(C(=O)N[C@@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)ccc21 ZINC001444636501 1070806162 /nfs/dbraw/zinc/80/61/62/1070806162.db2.gz ISFVABSLOPJDLY-LJQANCHMSA-N 1 2 457.531 -0.625 20 0 JBADLO O=C(Cc1csc([C@@H]2CCS(=O)(=O)C2)n1)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001444643103 1070807607 /nfs/dbraw/zinc/80/76/07/1070807607.db2.gz SZBUTHCNCCVGOC-CABCVRRESA-N 1 2 456.590 -0.363 20 0 JBADLO O=C(Cc1csc([C@H]2CCS(=O)(=O)C2)n1)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001444643114 1070807359 /nfs/dbraw/zinc/80/73/59/1070807359.db2.gz SZBUTHCNCCVGOC-GJZGRUSLSA-N 1 2 456.590 -0.363 20 0 JBADLO O=C(Cc1csc([C@@H]2CCS(=O)(=O)C2)n1)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001444643129 1070807131 /nfs/dbraw/zinc/80/71/31/1070807131.db2.gz SZBUTHCNCCVGOC-HUUCEWRRSA-N 1 2 456.590 -0.363 20 0 JBADLO O=C(Cc1csc([C@H]2CCS(=O)(=O)C2)n1)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001444643143 1070807019 /nfs/dbraw/zinc/80/70/19/1070807019.db2.gz SZBUTHCNCCVGOC-LSDHHAIUSA-N 1 2 456.590 -0.363 20 0 JBADLO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1NC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001444768784 1070808693 /nfs/dbraw/zinc/80/86/93/1070808693.db2.gz MARPUEIRRMYVRT-DLBZAZTESA-N 1 2 453.565 -0.021 20 0 JBADLO Cc1nn([C@@H]2CCS(=O)(=O)C2)c(C)c1NC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001444768788 1070809059 /nfs/dbraw/zinc/80/90/59/1070809059.db2.gz MARPUEIRRMYVRT-IAGOWNOFSA-N 1 2 453.565 -0.021 20 0 JBADLO Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1NC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001444768793 1070808560 /nfs/dbraw/zinc/80/85/60/1070808560.db2.gz MARPUEIRRMYVRT-IRXDYDNUSA-N 1 2 453.565 -0.021 20 0 JBADLO Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1NC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001444768795 1070808971 /nfs/dbraw/zinc/80/89/71/1070808971.db2.gz MARPUEIRRMYVRT-SJORKVTESA-N 1 2 453.565 -0.021 20 0 JBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC001445373475 1070809839 /nfs/dbraw/zinc/80/98/39/1070809839.db2.gz OOJAWLOLMRVWEI-IBGZPJMESA-N 1 2 455.577 -0.208 20 0 JBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)CCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC001445373479 1070809436 /nfs/dbraw/zinc/80/94/36/1070809436.db2.gz OOJAWLOLMRVWEI-LJQANCHMSA-N 1 2 455.577 -0.208 20 0 JBADLO Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC001445650601 1070810403 /nfs/dbraw/zinc/81/04/03/1070810403.db2.gz ADGSKSNMQYBMET-KRWDZBQOSA-N 1 2 456.565 -0.391 20 0 JBADLO Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC001445650604 1070810302 /nfs/dbraw/zinc/81/03/02/1070810302.db2.gz ADGSKSNMQYBMET-QGZVFWFLSA-N 1 2 456.565 -0.391 20 0 JBADLO O=C(N[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCCC[C@H]1C(=O)NC1CC[NH+]([C@@H]2CCOC2=O)CC1 ZINC001446589733 1070811802 /nfs/dbraw/zinc/81/18/02/1070811802.db2.gz AHLCKKQHPVALKG-BRSBDYLESA-N 1 2 455.577 -0.008 20 0 JBADLO O=C(N[C@H]1CCS(=O)(=O)C1)[C@@H]1CCCC[C@H]1C(=O)NC1CC[NH+]([C@@H]2CCOC2=O)CC1 ZINC001446589739 1070811671 /nfs/dbraw/zinc/81/16/71/1070811671.db2.gz AHLCKKQHPVALKG-BSDSXHPESA-N 1 2 455.577 -0.008 20 0 JBADLO O=C(NC1CC[NH+]([C@@H]2CCOC2=O)CC1)[C@@H]1CCCC[C@@H]1C(=O)N[C@H]1CCS(=O)(=O)C1 ZINC001446589744 1070811736 /nfs/dbraw/zinc/81/17/36/1070811736.db2.gz AHLCKKQHPVALKG-XWTMOSNGSA-N 1 2 455.577 -0.008 20 0 JBADLO O=C(NC1CC[NH+]([C@@H]2CCOC2=O)CC1)[C@@H]1CCCC[C@@H]1C(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC001446589749 1070811548 /nfs/dbraw/zinc/81/15/48/1070811548.db2.gz AHLCKKQHPVALKG-ZJPYXAASSA-N 1 2 455.577 -0.008 20 0 JBADLO COc1ccc([C@@]2(C)NC(=O)N(NC(=O)[C@@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)C2=O)cc1 ZINC001449067179 1070816765 /nfs/dbraw/zinc/81/67/65/1070816765.db2.gz WNHLXVJYAHGXKO-IVZQSRNASA-N 1 2 459.503 -0.326 20 0 JBADLO COc1ccc([C@]2(C)NC(=O)N(NC(=O)[C@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)C2=O)cc1 ZINC001449067180 1070817030 /nfs/dbraw/zinc/81/70/30/1070817030.db2.gz WNHLXVJYAHGXKO-NYHFZMIOSA-N 1 2 459.503 -0.326 20 0 JBADLO COc1ccc([C@@]2(C)NC(=O)N(NC(=O)[C@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)C2=O)cc1 ZINC001449067181 1070817195 /nfs/dbraw/zinc/81/71/95/1070817195.db2.gz WNHLXVJYAHGXKO-OYHNWAKOSA-N 1 2 459.503 -0.326 20 0 JBADLO COc1ccc([C@]2(C)NC(=O)N(NC(=O)[C@@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)C2=O)cc1 ZINC001449067182 1070817073 /nfs/dbraw/zinc/81/70/73/1070817073.db2.gz WNHLXVJYAHGXKO-QRQCRPRQSA-N 1 2 459.503 -0.326 20 0 JBADLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@@H](CNC(=O)CN2CCCCS2(=O)=O)CC3)CC1 ZINC001449274769 1070818275 /nfs/dbraw/zinc/81/82/75/1070818275.db2.gz UEVAGGWSDKXHLJ-INIZCTEOSA-N 1 2 452.581 -0.625 20 0 JBADLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@H](CNC(=O)CN2CCCCS2(=O)=O)CC3)CC1 ZINC001449274773 1070817931 /nfs/dbraw/zinc/81/79/31/1070817931.db2.gz UEVAGGWSDKXHLJ-MRXNPFEDSA-N 1 2 452.581 -0.625 20 0 JBADLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@H](CNC(=O)[C@H]2COCCN2CC(F)F)CC3)CC1 ZINC001449276117 1070817570 /nfs/dbraw/zinc/81/75/70/1070817570.db2.gz WPVMBWRZJAFDOH-CRAIPNDOSA-N 1 2 454.522 -0.085 20 0 JBADLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@@H](CNC(=O)[C@H]2COCCN2CC(F)F)CC3)CC1 ZINC001449276122 1070817531 /nfs/dbraw/zinc/81/75/31/1070817531.db2.gz WPVMBWRZJAFDOH-MAUKXSAKSA-N 1 2 454.522 -0.085 20 0 JBADLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@H](CNC(=O)[C@@H]2COCCN2CC(F)F)CC3)CC1 ZINC001449276124 1070818060 /nfs/dbraw/zinc/81/80/60/1070818060.db2.gz WPVMBWRZJAFDOH-QAPCUYQASA-N 1 2 454.522 -0.085 20 0 JBADLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@@H](CNC(=O)[C@@H]2COCCN2CC(F)F)CC3)CC1 ZINC001449276125 1070817653 /nfs/dbraw/zinc/81/76/53/1070817653.db2.gz WPVMBWRZJAFDOH-YJBOKZPZSA-N 1 2 454.522 -0.085 20 0 JBADLO CNS(=O)(=O)c1cccc2c1CCN(C(=O)[C@H]1CC(=O)N(CC[NH+]3CCOCC3)C1)C2 ZINC001449395260 1070818545 /nfs/dbraw/zinc/81/85/45/1070818545.db2.gz YOUSIUSSUBQDHM-KRWDZBQOSA-N 1 2 450.561 -0.340 20 0 JBADLO CNS(=O)(=O)c1cccc2c1CCN(C(=O)[C@@H]1CC(=O)N(CC[NH+]3CCOCC3)C1)C2 ZINC001449395261 1070819026 /nfs/dbraw/zinc/81/90/26/1070819026.db2.gz YOUSIUSSUBQDHM-QGZVFWFLSA-N 1 2 450.561 -0.340 20 0 JBADLO Cn1cc(S(=O)(=O)NCC(=O)N2CC[NH+]([C@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)cn1 ZINC001450831283 1070819785 /nfs/dbraw/zinc/81/97/85/1070819785.db2.gz PEZWGIIWOROREM-HNNXBMFYSA-N 1 2 456.569 -0.148 20 0 JBADLO Cn1cc(S(=O)(=O)NCC(=O)N2CC[NH+]([C@@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)cn1 ZINC001450831287 1070819961 /nfs/dbraw/zinc/81/99/61/1070819961.db2.gz PEZWGIIWOROREM-OAHLLOKOSA-N 1 2 456.569 -0.148 20 0 JBADLO COC(=O)CCNC(=O)[C@@H]1CS[C@@H](C)N1C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001450964100 1070820687 /nfs/dbraw/zinc/82/06/87/1070820687.db2.gz NXOBRMKFCSCOLU-JYJNAYRXSA-N 1 2 456.565 -0.864 20 0 JBADLO COC(=O)CCNC(=O)[C@@H]1CS[C@H](C)N1C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001450964102 1070820487 /nfs/dbraw/zinc/82/04/87/1070820487.db2.gz NXOBRMKFCSCOLU-OAGGEKHMSA-N 1 2 456.565 -0.864 20 0 JBADLO COC(=O)CCNC(=O)[C@@H]1CS[C@H](C)N1C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001450964104 1070820815 /nfs/dbraw/zinc/82/08/15/1070820815.db2.gz NXOBRMKFCSCOLU-PMPSAXMXSA-N 1 2 456.565 -0.864 20 0 JBADLO COC(=O)CCNC(=O)[C@@H]1CS[C@@H](C)N1C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001450964105 1070820574 /nfs/dbraw/zinc/82/05/74/1070820574.db2.gz NXOBRMKFCSCOLU-XHSDSOJGSA-N 1 2 456.565 -0.864 20 0 JBADLO CC(C)(C)OC(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(C(=O)NCCC[N@H+]2CCC[C@H]2C(N)=O)C1 ZINC001453639475 1070823220 /nfs/dbraw/zinc/82/32/20/1070823220.db2.gz QVXWRUCJVKQUQS-QEEYODRMSA-N 1 2 458.581 -0.276 20 0 JBADLO CC(C)(C)OC(=O)N1C[C@@H]2CS(=O)(=O)C[C@]2(C(=O)NCCC[N@@H+]2CCC[C@H]2C(N)=O)C1 ZINC001453639475 1070823193 /nfs/dbraw/zinc/82/31/93/1070823193.db2.gz QVXWRUCJVKQUQS-QEEYODRMSA-N 1 2 458.581 -0.276 20 0 JBADLO NC(=O)C[C@@H](NC(=O)Cc1cccc(F)c1)C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC001453775896 1070823536 /nfs/dbraw/zinc/82/35/36/1070823536.db2.gz XJRGIOSYQMMPOZ-GOSISDBHSA-N 1 2 457.510 -0.543 20 0 JBADLO NC(=O)C[C@H](NC(=O)Cc1cccc(F)c1)C(=O)NCC[NH+]1CCN(c2ncccn2)CC1 ZINC001453775921 1070824157 /nfs/dbraw/zinc/82/41/57/1070824157.db2.gz XJRGIOSYQMMPOZ-SFHVURJKSA-N 1 2 457.510 -0.543 20 0 JBADLO O=C([C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1)N1CCO[C@@H](C[NH+]2CCOCC2)C1 ZINC001454289157 1070824512 /nfs/dbraw/zinc/82/45/12/1070824512.db2.gz NMBODOZKCJLSOS-AOIWGVFYSA-N 1 2 457.524 -0.491 20 0 JBADLO O=C([C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1)N1CCO[C@H](C[NH+]2CCOCC2)C1 ZINC001454289159 1070824374 /nfs/dbraw/zinc/82/43/74/1070824374.db2.gz NMBODOZKCJLSOS-LMMKCTJWSA-N 1 2 457.524 -0.491 20 0 JBADLO Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)N2CCO[C@H](C[NH+]3CCOCC3)C2)CC1 ZINC001454290316 1070825160 /nfs/dbraw/zinc/82/51/60/1070825160.db2.gz TVLHWWVJGIPKFN-GOSISDBHSA-N 1 2 455.581 -0.013 20 0 JBADLO Cc1n[nH]c(C)c1S(=O)(=O)N1CCC(C(=O)N2CCO[C@@H](C[NH+]3CCOCC3)C2)CC1 ZINC001454290317 1070824556 /nfs/dbraw/zinc/82/45/56/1070824556.db2.gz TVLHWWVJGIPKFN-SFHVURJKSA-N 1 2 455.581 -0.013 20 0 JBADLO COC[C@@]1(C(=O)OC(C)(C)C)CN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CCO1 ZINC001454296816 1070824829 /nfs/dbraw/zinc/82/48/29/1070824829.db2.gz NNOFSGBGNCHVKL-HTAPYJJXSA-N 1 2 455.552 -0.247 20 0 JBADLO COC[C@]1(C(=O)OC(C)(C)C)CN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CCO1 ZINC001454296820 1070825233 /nfs/dbraw/zinc/82/52/33/1070825233.db2.gz NNOFSGBGNCHVKL-JTSKRJEESA-N 1 2 455.552 -0.247 20 0 JBADLO COC[C@@]1(C(=O)OC(C)(C)C)CN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CCO1 ZINC001454296825 1070824466 /nfs/dbraw/zinc/82/44/66/1070824466.db2.gz NNOFSGBGNCHVKL-VGOFRKELSA-N 1 2 455.552 -0.247 20 0 JBADLO COC[C@]1(C(=O)OC(C)(C)C)CN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)CCO1 ZINC001454296829 1070825370 /nfs/dbraw/zinc/82/53/70/1070825370.db2.gz NNOFSGBGNCHVKL-VGSWGCGISA-N 1 2 455.552 -0.247 20 0 JBADLO CN(C)C(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CCCC[C@@H]2C(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001455700989 1070830310 /nfs/dbraw/zinc/83/03/10/1070830310.db2.gz SNCMIEXZWQLCQJ-FGTMMUONSA-N 1 2 456.609 -0.281 20 0 JBADLO CN(C)C(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CCCC[C@@H]2C(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001455700989 1070830279 /nfs/dbraw/zinc/83/02/79/1070830279.db2.gz SNCMIEXZWQLCQJ-FGTMMUONSA-N 1 2 456.609 -0.281 20 0 JBADLO CN(C)C(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001455700991 1070830087 /nfs/dbraw/zinc/83/00/87/1070830087.db2.gz SNCMIEXZWQLCQJ-KZNAEPCWSA-N 1 2 456.609 -0.281 20 0 JBADLO CN(C)C(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001455700991 1070830065 /nfs/dbraw/zinc/83/00/65/1070830065.db2.gz SNCMIEXZWQLCQJ-KZNAEPCWSA-N 1 2 456.609 -0.281 20 0 JBADLO CN(C)C(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CCCC[C@@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)CC1 ZINC001455700994 1070830593 /nfs/dbraw/zinc/83/05/93/1070830593.db2.gz SNCMIEXZWQLCQJ-OKZBNKHCSA-N 1 2 456.609 -0.281 20 0 JBADLO CN(C)C(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CCCC[C@@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)CC1 ZINC001455700994 1070830566 /nfs/dbraw/zinc/83/05/66/1070830566.db2.gz SNCMIEXZWQLCQJ-OKZBNKHCSA-N 1 2 456.609 -0.281 20 0 JBADLO CN(C)C(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)CC1 ZINC001455700996 1070829970 /nfs/dbraw/zinc/82/99/70/1070829970.db2.gz SNCMIEXZWQLCQJ-RCCFBDPRSA-N 1 2 456.609 -0.281 20 0 JBADLO CN(C)C(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)CC1 ZINC001455700996 1070829938 /nfs/dbraw/zinc/82/99/38/1070829938.db2.gz SNCMIEXZWQLCQJ-RCCFBDPRSA-N 1 2 456.609 -0.281 20 0 JBADLO CNC(=O)C[N@H+]1CCCN(C(=O)CCNS(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 ZINC001456034605 1070831669 /nfs/dbraw/zinc/83/16/69/1070831669.db2.gz DGBONNWINFKNAH-UHFFFAOYSA-N 1 2 454.549 -0.203 20 0 JBADLO CNC(=O)C[N@@H+]1CCCN(C(=O)CCNS(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 ZINC001456034605 1070831643 /nfs/dbraw/zinc/83/16/43/1070831643.db2.gz DGBONNWINFKNAH-UHFFFAOYSA-N 1 2 454.549 -0.203 20 0 JBADLO CCCC[N@@H+](CC(N)=O)CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC001459307434 1070837704 /nfs/dbraw/zinc/83/77/04/1070837704.db2.gz FCGQGXWGWROZKF-UHFFFAOYSA-N 1 2 454.549 -0.122 20 0 JBADLO CCCC[N@H+](CC(N)=O)CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC001459307434 1070837673 /nfs/dbraw/zinc/83/76/73/1070837673.db2.gz FCGQGXWGWROZKF-UHFFFAOYSA-N 1 2 454.549 -0.122 20 0 JBADLO CCC[N@@H+](CC(=O)NC)CC(=O)N1CCN(S(=O)(=O)c2cc(OC)ccc2OC)CC1 ZINC001459350688 1070838540 /nfs/dbraw/zinc/83/85/40/1070838540.db2.gz YXKWWIFRAAAAMW-UHFFFAOYSA-N 1 2 456.565 -0.005 20 0 JBADLO CCC[N@H+](CC(=O)NC)CC(=O)N1CCN(S(=O)(=O)c2cc(OC)ccc2OC)CC1 ZINC001459350688 1070838516 /nfs/dbraw/zinc/83/85/16/1070838516.db2.gz YXKWWIFRAAAAMW-UHFFFAOYSA-N 1 2 456.565 -0.005 20 0 JBADLO Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)[N@H+]3CC[C@@H](NS(C)(=O)=O)C3)CC2)cc1 ZINC001459494871 1070838394 /nfs/dbraw/zinc/83/83/94/1070838394.db2.gz VUJCNWAPEMRRSV-DLBZAZTESA-N 1 2 458.606 -0.160 20 0 JBADLO Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)[N@@H+]3CC[C@@H](NS(C)(=O)=O)C3)CC2)cc1 ZINC001459494871 1070838359 /nfs/dbraw/zinc/83/83/59/1070838359.db2.gz VUJCNWAPEMRRSV-DLBZAZTESA-N 1 2 458.606 -0.160 20 0 JBADLO Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)[N@H+]3CC[C@@H](NS(C)(=O)=O)C3)CC2)cc1 ZINC001459494878 1070838143 /nfs/dbraw/zinc/83/81/43/1070838143.db2.gz VUJCNWAPEMRRSV-IAGOWNOFSA-N 1 2 458.606 -0.160 20 0 JBADLO Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)[N@@H+]3CC[C@@H](NS(C)(=O)=O)C3)CC2)cc1 ZINC001459494878 1070838115 /nfs/dbraw/zinc/83/81/15/1070838115.db2.gz VUJCNWAPEMRRSV-IAGOWNOFSA-N 1 2 458.606 -0.160 20 0 JBADLO Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)[N@H+]3CC[C@H](NS(C)(=O)=O)C3)CC2)cc1 ZINC001459494892 1070838225 /nfs/dbraw/zinc/83/82/25/1070838225.db2.gz VUJCNWAPEMRRSV-IRXDYDNUSA-N 1 2 458.606 -0.160 20 0 JBADLO Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)[N@@H+]3CC[C@H](NS(C)(=O)=O)C3)CC2)cc1 ZINC001459494892 1070838198 /nfs/dbraw/zinc/83/81/98/1070838198.db2.gz VUJCNWAPEMRRSV-IRXDYDNUSA-N 1 2 458.606 -0.160 20 0 JBADLO Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)[N@H+]3CC[C@H](NS(C)(=O)=O)C3)CC2)cc1 ZINC001459494899 1070838905 /nfs/dbraw/zinc/83/89/05/1070838905.db2.gz VUJCNWAPEMRRSV-SJORKVTESA-N 1 2 458.606 -0.160 20 0 JBADLO Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)[N@@H+]3CC[C@H](NS(C)(=O)=O)C3)CC2)cc1 ZINC001459494899 1070838884 /nfs/dbraw/zinc/83/88/84/1070838884.db2.gz VUJCNWAPEMRRSV-SJORKVTESA-N 1 2 458.606 -0.160 20 0 JBADLO NS(=O)(=O)CCN1CCN(CC(=O)N2CC[NH+](Cc3ccc4c(c3)CCO4)CC2)CC1 ZINC001459720975 1070840269 /nfs/dbraw/zinc/84/02/69/1070840269.db2.gz BYHPSOGDLUGSSW-UHFFFAOYSA-N 1 2 451.593 -0.828 20 0 JBADLO COC(=O)[C@@H](O)C1CC[NH+](CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 ZINC001459794135 1070840824 /nfs/dbraw/zinc/84/08/24/1070840824.db2.gz VKMOJYFGSVJVSB-IBGZPJMESA-N 1 2 455.533 -0.108 20 0 JBADLO COC(=O)[C@H](O)C1CC[NH+](CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 ZINC001459794144 1070841108 /nfs/dbraw/zinc/84/11/08/1070841108.db2.gz VKMOJYFGSVJVSB-LJQANCHMSA-N 1 2 455.533 -0.108 20 0 JBADLO Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)[N@H+]3CCC[C@H](S(N)(=O)=O)C3)CC2)cc1 ZINC001459835587 1070842572 /nfs/dbraw/zinc/84/25/72/1070842572.db2.gz NQTBLJGGLAAMBJ-AEFFLSMTSA-N 1 2 458.606 -0.031 20 0 JBADLO Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)[N@@H+]3CCC[C@H](S(N)(=O)=O)C3)CC2)cc1 ZINC001459835587 1070842540 /nfs/dbraw/zinc/84/25/40/1070842540.db2.gz NQTBLJGGLAAMBJ-AEFFLSMTSA-N 1 2 458.606 -0.031 20 0 JBADLO Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)[N@H+]3CCC[C@@H](S(N)(=O)=O)C3)CC2)cc1 ZINC001459835596 1070841940 /nfs/dbraw/zinc/84/19/40/1070841940.db2.gz NQTBLJGGLAAMBJ-FUHWJXTLSA-N 1 2 458.606 -0.031 20 0 JBADLO Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)[N@@H+]3CCC[C@@H](S(N)(=O)=O)C3)CC2)cc1 ZINC001459835596 1070841908 /nfs/dbraw/zinc/84/19/08/1070841908.db2.gz NQTBLJGGLAAMBJ-FUHWJXTLSA-N 1 2 458.606 -0.031 20 0 JBADLO Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)[N@H+]3CCC[C@@H](S(N)(=O)=O)C3)CC2)cc1 ZINC001459835602 1070842127 /nfs/dbraw/zinc/84/21/27/1070842127.db2.gz NQTBLJGGLAAMBJ-SJLPKXTDSA-N 1 2 458.606 -0.031 20 0 JBADLO Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@@H](C)[N@@H+]3CCC[C@@H](S(N)(=O)=O)C3)CC2)cc1 ZINC001459835602 1070842098 /nfs/dbraw/zinc/84/20/98/1070842098.db2.gz NQTBLJGGLAAMBJ-SJLPKXTDSA-N 1 2 458.606 -0.031 20 0 JBADLO Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)[N@H+]3CCC[C@H](S(N)(=O)=O)C3)CC2)cc1 ZINC001459835607 1070842300 /nfs/dbraw/zinc/84/23/00/1070842300.db2.gz NQTBLJGGLAAMBJ-WMZOPIPTSA-N 1 2 458.606 -0.031 20 0 JBADLO Cc1ccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)[N@@H+]3CCC[C@H](S(N)(=O)=O)C3)CC2)cc1 ZINC001459835607 1070842268 /nfs/dbraw/zinc/84/22/68/1070842268.db2.gz NQTBLJGGLAAMBJ-WMZOPIPTSA-N 1 2 458.606 -0.031 20 0 JBADLO CCn1c(C[NH+]2CCC(O)(C(N)=O)CC2)nc2cc(S(=O)(=O)N3CCOCC3)ccc21 ZINC001460101008 1070845123 /nfs/dbraw/zinc/84/51/23/1070845123.db2.gz PMGNJISBRLOMST-UHFFFAOYSA-N 1 2 451.549 -0.111 20 0 JBADLO O=C(C[N@H+]1CC[C@H](N2CCOC2=O)C1)NCc1ccccc1S(=O)(=O)N1CCOCC1 ZINC001460355029 1070846575 /nfs/dbraw/zinc/84/65/75/1070846575.db2.gz GCSJBARKQGGLLA-KRWDZBQOSA-N 1 2 452.533 -0.150 20 0 JBADLO O=C(C[N@@H+]1CC[C@H](N2CCOC2=O)C1)NCc1ccccc1S(=O)(=O)N1CCOCC1 ZINC001460355029 1070846545 /nfs/dbraw/zinc/84/65/45/1070846545.db2.gz GCSJBARKQGGLLA-KRWDZBQOSA-N 1 2 452.533 -0.150 20 0 JBADLO O=C(C[N@H+]1CC[C@@H](N2CCOC2=O)C1)NCc1ccccc1S(=O)(=O)N1CCOCC1 ZINC001460355030 1070846396 /nfs/dbraw/zinc/84/63/96/1070846396.db2.gz GCSJBARKQGGLLA-QGZVFWFLSA-N 1 2 452.533 -0.150 20 0 JBADLO O=C(C[N@@H+]1CC[C@@H](N2CCOC2=O)C1)NCc1ccccc1S(=O)(=O)N1CCOCC1 ZINC001460355030 1070846367 /nfs/dbraw/zinc/84/63/67/1070846367.db2.gz GCSJBARKQGGLLA-QGZVFWFLSA-N 1 2 452.533 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O=C(C[N@H+]1CCC[C@H]2CCNC(=O)[C@@H]21)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC001460691423 1070847997 /nfs/dbraw/zinc/84/79/97/1070847997.db2.gz FFNUQDBGWXNUGK-FXAWDEMLSA-N 1 2 450.561 -0.076 20 0 JBADLO O=C(C[N@@H+]1CCC[C@H]2CCNC(=O)[C@@H]21)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC001460691423 1070847974 /nfs/dbraw/zinc/84/79/74/1070847974.db2.gz FFNUQDBGWXNUGK-FXAWDEMLSA-N 1 2 450.561 -0.076 20 0 JBADLO O=C(C[N@H+]1CCC[C@H]2CCNC(=O)[C@H]21)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC001460691435 1070849034 /nfs/dbraw/zinc/84/90/34/1070849034.db2.gz FFNUQDBGWXNUGK-PXNSSMCTSA-N 1 2 450.561 -0.076 20 0 JBADLO O=C(C[N@@H+]1CCC[C@H]2CCNC(=O)[C@H]21)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC001460691435 1070849003 /nfs/dbraw/zinc/84/90/03/1070849003.db2.gz FFNUQDBGWXNUGK-PXNSSMCTSA-N 1 2 450.561 -0.076 20 0 JBADLO O=C(C[N@H+]1CCC[C@@H]2CCNC(=O)[C@H]21)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC001460691454 1070847925 /nfs/dbraw/zinc/84/79/25/1070847925.db2.gz FFNUQDBGWXNUGK-XLIONFOSSA-N 1 2 450.561 -0.076 20 0 JBADLO O=C(C[N@@H+]1CCC[C@@H]2CCNC(=O)[C@H]21)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC001460691454 1070847892 /nfs/dbraw/zinc/84/78/92/1070847892.db2.gz FFNUQDBGWXNUGK-XLIONFOSSA-N 1 2 450.561 -0.076 20 0 JBADLO O=C(C[N@H+]1CCC[C@@H]2CCNC(=O)[C@@H]21)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC001460691470 1070848947 /nfs/dbraw/zinc/84/89/47/1070848947.db2.gz FFNUQDBGWXNUGK-YLJYHZDGSA-N 1 2 450.561 -0.076 20 0 JBADLO O=C(C[N@@H+]1CCC[C@@H]2CCNC(=O)[C@@H]21)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC001460691470 1070848927 /nfs/dbraw/zinc/84/89/27/1070848927.db2.gz FFNUQDBGWXNUGK-YLJYHZDGSA-N 1 2 450.561 -0.076 20 0 JBADLO CNC(=O)N[C@H]1CCC[N@@H+](CC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 ZINC001460772282 1070848889 /nfs/dbraw/zinc/84/88/89/1070848889.db2.gz QUEGOZLXPCXBMX-KRWDZBQOSA-N 1 2 453.565 -0.283 20 0 JBADLO CNC(=O)N[C@H]1CCC[N@H+](CC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 ZINC001460772282 1070848868 /nfs/dbraw/zinc/84/88/68/1070848868.db2.gz QUEGOZLXPCXBMX-KRWDZBQOSA-N 1 2 453.565 -0.283 20 0 JBADLO CNC(=O)N[C@@H]1CCC[N@@H+](CC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 ZINC001460772289 1070848535 /nfs/dbraw/zinc/84/85/35/1070848535.db2.gz QUEGOZLXPCXBMX-QGZVFWFLSA-N 1 2 453.565 -0.283 20 0 JBADLO CNC(=O)N[C@@H]1CCC[N@H+](CC(=O)NCc2ccc(S(=O)(=O)N3CCOCC3)cc2)C1 ZINC001460772289 1070848504 /nfs/dbraw/zinc/84/85/04/1070848504.db2.gz QUEGOZLXPCXBMX-QGZVFWFLSA-N 1 2 453.565 -0.283 20 0 JBADLO CNC(=O)C[N@H+]1CCCN(CC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)CC1 ZINC001460808573 1070848751 /nfs/dbraw/zinc/84/87/51/1070848751.db2.gz SIVFWYTUYUKMLQ-UHFFFAOYSA-N 1 2 453.565 -0.600 20 0 JBADLO CNC(=O)C[N@@H+]1CCCN(CC(=O)Nc2cccc(S(=O)(=O)N3CCOCC3)c2)CC1 ZINC001460808573 1070848723 /nfs/dbraw/zinc/84/87/23/1070848723.db2.gz SIVFWYTUYUKMLQ-UHFFFAOYSA-N 1 2 453.565 -0.600 20 0 JBADLO COc1cc(F)c(S(=O)(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cc1F ZINC001462812108 1070852470 /nfs/dbraw/zinc/85/24/70/1070852470.db2.gz BMVUXAUGKQNPMX-UHFFFAOYSA-N 1 2 454.521 -0.228 20 0 JBADLO CN(C)c1ccc(S(=O)(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)cn1 ZINC001462837424 1070853516 /nfs/dbraw/zinc/85/35/16/1070853516.db2.gz WKCILAAFUBYWRR-UHFFFAOYSA-N 1 2 454.578 -0.027 20 0 JBADLO CN(C)C(=O)C[NH+]1CCC(NS(=O)(=O)c2cnn(C)c2I)CC1 ZINC001463033422 1070856071 /nfs/dbraw/zinc/85/60/71/1070856071.db2.gz VLEYBAWPUVPCRA-UHFFFAOYSA-N 1 2 455.322 -0.144 20 0 JBADLO CCNC(=O)C[N@H+]1CCCN(C(=O)[C@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)CC1 ZINC001463856884 1068211900 /nfs/dbraw/zinc/21/19/00/1068211900.db2.gz CJAZEJLYLJCNTG-HNNXBMFYSA-N 1 2 451.549 -0.643 20 0 JBADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)CC1 ZINC001463856884 1068211896 /nfs/dbraw/zinc/21/18/96/1068211896.db2.gz CJAZEJLYLJCNTG-HNNXBMFYSA-N 1 2 451.549 -0.643 20 0 JBADLO CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)CC1 ZINC001463856886 1068212081 /nfs/dbraw/zinc/21/20/81/1068212081.db2.gz CJAZEJLYLJCNTG-OAHLLOKOSA-N 1 2 451.549 -0.643 20 0 JBADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)CC1 ZINC001463856886 1068212072 /nfs/dbraw/zinc/21/20/72/1068212072.db2.gz CJAZEJLYLJCNTG-OAHLLOKOSA-N 1 2 451.549 -0.643 20 0 JBADLO CCN(CC)C(=O)C[NH+]1CCC(NS(=O)(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C)CC1 ZINC001463985562 1068213776 /nfs/dbraw/zinc/21/37/76/1068213776.db2.gz YBFQJRZCCNIQBD-UHFFFAOYSA-N 1 2 452.537 -0.355 20 0 JBADLO COc1cc(CCC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cc(OC)c1O ZINC001464100927 1068213962 /nfs/dbraw/zinc/21/39/62/1068213962.db2.gz KEBJVXQYRBXSFL-UHFFFAOYSA-N 1 2 456.565 -0.022 20 0 JBADLO CCn1cc(-c2nn(C)cc2C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cn1 ZINC001464101742 1068213883 /nfs/dbraw/zinc/21/38/83/1068213883.db2.gz PHIYPUJOTLCINV-UHFFFAOYSA-N 1 2 450.569 -0.447 20 0 JBADLO Cc1nnnn1-c1ccc(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c(F)c1 ZINC001464102336 1068213653 /nfs/dbraw/zinc/21/36/53/1068213653.db2.gz RPBCJPSPLDAHCN-UHFFFAOYSA-N 1 2 452.516 -0.640 20 0 JBADLO COc1cccc(C2=NO[C@H](C(=O)N3CCN(S(=O)(=O)N4CC[NH+](C)CC4)CC3)C2)c1 ZINC001464103849 1068214365 /nfs/dbraw/zinc/21/43/65/1068214365.db2.gz YMGJQHLUOUXZFZ-IBGZPJMESA-N 1 2 451.549 -0.175 20 0 JBADLO COc1cccc(C2=NO[C@@H](C(=O)N3CCN(S(=O)(=O)N4CC[NH+](C)CC4)CC3)C2)c1 ZINC001464103851 1068214593 /nfs/dbraw/zinc/21/45/93/1068214593.db2.gz YMGJQHLUOUXZFZ-LJQANCHMSA-N 1 2 451.549 -0.175 20 0 JBADLO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)Nc1ccccc1C(=O)N1CC[NH+](C)CC1 ZINC001464106043 1068214331 /nfs/dbraw/zinc/21/43/31/1068214331.db2.gz KBWMWOJSGGYNQN-UHFFFAOYSA-N 1 2 453.565 -0.153 20 0 JBADLO COc1cc2c(cc1OC)C[N@@H+](CC(=O)N1CCN(C(=O)CN3C(=O)CCC3=O)CC1)CC2 ZINC001464325672 1068217383 /nfs/dbraw/zinc/21/73/83/1068217383.db2.gz CAEAFIWAXUHYJU-UHFFFAOYSA-N 1 2 458.515 -0.118 20 0 JBADLO COc1cc2c(cc1OC)C[N@H+](CC(=O)N1CCN(C(=O)CN3C(=O)CCC3=O)CC1)CC2 ZINC001464325672 1068217370 /nfs/dbraw/zinc/21/73/70/1068217370.db2.gz CAEAFIWAXUHYJU-UHFFFAOYSA-N 1 2 458.515 -0.118 20 0 JBADLO NC(=O)C[N@H+]1CCCN(C(=O)c2ccc(I)cc2-n2cnnn2)CC1 ZINC001464937202 1068221666 /nfs/dbraw/zinc/22/16/66/1068221666.db2.gz ZIJDCZXRTDYCQF-UHFFFAOYSA-N 1 2 455.260 -0.100 20 0 JBADLO NC(=O)C[N@@H+]1CCCN(C(=O)c2ccc(I)cc2-n2cnnn2)CC1 ZINC001464937202 1068221659 /nfs/dbraw/zinc/22/16/59/1068221659.db2.gz ZIJDCZXRTDYCQF-UHFFFAOYSA-N 1 2 455.260 -0.100 20 0 JBADLO CC(C)(C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1)[NH+]1CCOCC1 ZINC001465094411 1068222039 /nfs/dbraw/zinc/22/20/39/1068222039.db2.gz FCBIIYYWNFNMQR-UHFFFAOYSA-N 1 2 452.533 -0.039 20 0 JBADLO Cc1ccc(S(=O)(=O)N[C@H](CCC(N)=O)C(=O)N[C@H](C)[C@H]2CN(C)CC[N@H+]2C)cc1C ZINC001465293408 1068222717 /nfs/dbraw/zinc/22/27/17/1068222717.db2.gz NSNNBIOPWGEPHY-BHIYHBOVSA-N 1 2 453.609 -0.034 20 0 JBADLO Cc1ccc(S(=O)(=O)N[C@H](CCC(N)=O)C(=O)N[C@H](C)[C@H]2CN(C)CC[N@@H+]2C)cc1C ZINC001465293408 1068222704 /nfs/dbraw/zinc/22/27/04/1068222704.db2.gz NSNNBIOPWGEPHY-BHIYHBOVSA-N 1 2 453.609 -0.034 20 0 JBADLO Cc1ccc(S(=O)(=O)N[C@H](CCC(N)=O)C(=O)N[C@H](C)[C@@H]2CN(C)CC[N@H+]2C)cc1C ZINC001465293409 1068222998 /nfs/dbraw/zinc/22/29/98/1068222998.db2.gz NSNNBIOPWGEPHY-QRQLOZEOSA-N 1 2 453.609 -0.034 20 0 JBADLO Cc1ccc(S(=O)(=O)N[C@H](CCC(N)=O)C(=O)N[C@H](C)[C@@H]2CN(C)CC[N@@H+]2C)cc1C ZINC001465293409 1068222989 /nfs/dbraw/zinc/22/29/89/1068222989.db2.gz NSNNBIOPWGEPHY-QRQLOZEOSA-N 1 2 453.609 -0.034 20 0 JBADLO Cc1ccc(S(=O)(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H](C)[C@H]2CN(C)CC[N@H+]2C)cc1C ZINC001465293410 1068222938 /nfs/dbraw/zinc/22/29/38/1068222938.db2.gz NSNNBIOPWGEPHY-QXAKKESOSA-N 1 2 453.609 -0.034 20 0 JBADLO Cc1ccc(S(=O)(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H](C)[C@H]2CN(C)CC[N@@H+]2C)cc1C ZINC001465293410 1068222929 /nfs/dbraw/zinc/22/29/29/1068222929.db2.gz NSNNBIOPWGEPHY-QXAKKESOSA-N 1 2 453.609 -0.034 20 0 JBADLO Cc1ccc(S(=O)(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H](C)[C@@H]2CN(C)CC[N@H+]2C)cc1C ZINC001465293411 1068222855 /nfs/dbraw/zinc/22/28/55/1068222855.db2.gz NSNNBIOPWGEPHY-UHOSZYNNSA-N 1 2 453.609 -0.034 20 0 JBADLO Cc1ccc(S(=O)(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H](C)[C@@H]2CN(C)CC[N@@H+]2C)cc1C ZINC001465293411 1068222841 /nfs/dbraw/zinc/22/28/41/1068222841.db2.gz NSNNBIOPWGEPHY-UHOSZYNNSA-N 1 2 453.609 -0.034 20 0 JBADLO COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC001465377899 1068223590 /nfs/dbraw/zinc/22/35/90/1068223590.db2.gz KUMFRSIOYYMTLX-HOTGVXAUSA-N 1 2 454.549 -0.589 20 0 JBADLO COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC001465377900 1068223564 /nfs/dbraw/zinc/22/35/64/1068223564.db2.gz KUMFRSIOYYMTLX-JKSUJKDBSA-N 1 2 454.549 -0.589 20 0 JBADLO COCCNS(=O)(=O)c1ccc(C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC001465379055 1068223379 /nfs/dbraw/zinc/22/33/79/1068223379.db2.gz DUKGBKSGPUEJHS-KRWDZBQOSA-N 1 2 454.549 -0.726 20 0 JBADLO COCCNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC001465379056 1068223512 /nfs/dbraw/zinc/22/35/12/1068223512.db2.gz DUKGBKSGPUEJHS-QGZVFWFLSA-N 1 2 454.549 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CCOC(=O)C1([S@@](C)=O)CCN(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CC1 ZINC001468636841 1068236775 /nfs/dbraw/zinc/23/67/75/1068236775.db2.gz USFSFHFMNWMUFX-MUUNZHRXSA-N 1 2 451.611 -0.019 20 0 JBADLO CCOC(=O)C1([S@](C)=O)CCN(C(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)CC1 ZINC001468636842 1068236698 /nfs/dbraw/zinc/23/66/98/1068236698.db2.gz USFSFHFMNWMUFX-NDEPHWFRSA-N 1 2 451.611 -0.019 20 0 JBADLO CCOC1CC(CNC(=O)NCCS(=O)(=O)N2CCSCC2)([NH+]2CCOCC2)C1 ZINC001468653271 1068236552 /nfs/dbraw/zinc/23/65/52/1068236552.db2.gz SKRZNZGIAMBFBQ-UHFFFAOYSA-N 1 2 450.627 -0.066 20 0 JBADLO CS(=O)(=O)NC1CC(NC(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)C1 ZINC001468662760 1068236792 /nfs/dbraw/zinc/23/67/92/1068236792.db2.gz BLAHXJGVRWPPHH-FHERZECASA-N 1 2 453.569 -0.339 20 0 JBADLO CS(=O)(=O)NC1CC(NC(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)C1 ZINC001468662760 1068236789 /nfs/dbraw/zinc/23/67/89/1068236789.db2.gz BLAHXJGVRWPPHH-FHERZECASA-N 1 2 453.569 -0.339 20 0 JBADLO CS(=O)(=O)NC1CC(NC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)C1 ZINC001468662762 1068236586 /nfs/dbraw/zinc/23/65/86/1068236586.db2.gz BLAHXJGVRWPPHH-QQFBHYJXSA-N 1 2 453.569 -0.339 20 0 JBADLO CS(=O)(=O)NC1CC(NC(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)C1 ZINC001468662762 1068236581 /nfs/dbraw/zinc/23/65/81/1068236581.db2.gz BLAHXJGVRWPPHH-QQFBHYJXSA-N 1 2 453.569 -0.339 20 0 JBADLO NS(=O)(=O)C1CCN(C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)CC1 ZINC001468663551 1068236821 /nfs/dbraw/zinc/23/68/21/1068236821.db2.gz JNIIKODXINGSAG-HNNXBMFYSA-N 1 2 453.569 -0.256 20 0 JBADLO NS(=O)(=O)C1CCN(C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)CC1 ZINC001468663551 1068236810 /nfs/dbraw/zinc/23/68/10/1068236810.db2.gz JNIIKODXINGSAG-HNNXBMFYSA-N 1 2 453.569 -0.256 20 0 JBADLO NS(=O)(=O)C1CCN(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)CC1 ZINC001468663552 1068236739 /nfs/dbraw/zinc/23/67/39/1068236739.db2.gz JNIIKODXINGSAG-OAHLLOKOSA-N 1 2 453.569 -0.256 20 0 JBADLO NS(=O)(=O)C1CCN(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)CC1 ZINC001468663552 1068236731 /nfs/dbraw/zinc/23/67/31/1068236731.db2.gz JNIIKODXINGSAG-OAHLLOKOSA-N 1 2 453.569 -0.256 20 0 JBADLO O=C(NCCS(=O)(=O)NC1CC1)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC001468663685 1068236640 /nfs/dbraw/zinc/23/66/40/1068236640.db2.gz MRTSCUPXMHMYSZ-INIZCTEOSA-N 1 2 453.569 -0.337 20 0 JBADLO O=C(NCCS(=O)(=O)NC1CC1)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC001468663685 1068236633 /nfs/dbraw/zinc/23/66/33/1068236633.db2.gz MRTSCUPXMHMYSZ-INIZCTEOSA-N 1 2 453.569 -0.337 20 0 JBADLO O=C(NCCS(=O)(=O)NC1CC1)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC001468663686 1068236458 /nfs/dbraw/zinc/23/64/58/1068236458.db2.gz MRTSCUPXMHMYSZ-MRXNPFEDSA-N 1 2 453.569 -0.337 20 0 JBADLO O=C(NCCS(=O)(=O)NC1CC1)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC001468663686 1068236449 /nfs/dbraw/zinc/23/64/49/1068236449.db2.gz MRTSCUPXMHMYSZ-MRXNPFEDSA-N 1 2 453.569 -0.337 20 0 JBADLO CC(C)(CNS(C)(=O)=O)NC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC001468664090 1068236533 /nfs/dbraw/zinc/23/65/33/1068236533.db2.gz VPNNZRDUCWOIOS-HNNXBMFYSA-N 1 2 455.585 -0.091 20 0 JBADLO CC(C)(CNS(C)(=O)=O)NC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC001468664090 1068236523 /nfs/dbraw/zinc/23/65/23/1068236523.db2.gz VPNNZRDUCWOIOS-HNNXBMFYSA-N 1 2 455.585 -0.091 20 0 JBADLO CC(C)(CNS(C)(=O)=O)NC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC001468664091 1068236718 /nfs/dbraw/zinc/23/67/18/1068236718.db2.gz VPNNZRDUCWOIOS-OAHLLOKOSA-N 1 2 455.585 -0.091 20 0 JBADLO CC(C)(CNS(C)(=O)=O)NC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC001468664091 1068236716 /nfs/dbraw/zinc/23/67/16/1068236716.db2.gz VPNNZRDUCWOIOS-OAHLLOKOSA-N 1 2 455.585 -0.091 20 0 JBADLO O=C(NCCN1CCCS1(=O)=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC001468664259 1068237580 /nfs/dbraw/zinc/23/75/80/1068237580.db2.gz ZAECOEYKDQBLJJ-INIZCTEOSA-N 1 2 453.569 -0.383 20 0 JBADLO O=C(NCCN1CCCS1(=O)=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC001468664259 1068237567 /nfs/dbraw/zinc/23/75/67/1068237567.db2.gz ZAECOEYKDQBLJJ-INIZCTEOSA-N 1 2 453.569 -0.383 20 0 JBADLO O=C(NCCN1CCCS1(=O)=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC001468664260 1068237304 /nfs/dbraw/zinc/23/73/04/1068237304.db2.gz ZAECOEYKDQBLJJ-MRXNPFEDSA-N 1 2 453.569 -0.383 20 0 JBADLO O=C(NCCN1CCCS1(=O)=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC001468664260 1068237289 /nfs/dbraw/zinc/23/72/89/1068237289.db2.gz ZAECOEYKDQBLJJ-MRXNPFEDSA-N 1 2 453.569 -0.383 20 0 JBADLO COCC(COC)[NH+]1CCN(C(=O)c2cc(S(N)(=O)=O)ccc2N2CCOCC2)CC1 ZINC001468983913 1068239179 /nfs/dbraw/zinc/23/91/79/1068239179.db2.gz CTQKLFFLSAUHGG-UHFFFAOYSA-N 1 2 456.565 -0.410 20 0 JBADLO CS(=O)(=O)N1CC[C@@H](CNC(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)C1 ZINC001469407438 1068240379 /nfs/dbraw/zinc/24/03/79/1068240379.db2.gz BHMCJBUVQXGEFU-INIZCTEOSA-N 1 2 453.569 -0.574 20 0 JBADLO 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JBADLO CCS(=O)(=O)NCCc1ccc(S(=O)(=O)N2CC[N@H+](C)C[C@@H](C(=O)OC)C2)s1 ZINC001475400544 1068270741 /nfs/dbraw/zinc/27/07/41/1068270741.db2.gz FTBNXBIYACNEKN-CYBMUJFWSA-N 1 2 453.608 -0.045 20 0 JBADLO CCS(=O)(=O)NCCc1ccc(S(=O)(=O)N2CC[N@@H+](C)C[C@H](C(=O)OC)C2)s1 ZINC001475400545 1068270888 /nfs/dbraw/zinc/27/08/88/1068270888.db2.gz FTBNXBIYACNEKN-ZDUSSCGKSA-N 1 2 453.608 -0.045 20 0 JBADLO CCS(=O)(=O)NCCc1ccc(S(=O)(=O)N2CC[N@H+](C)C[C@H](C(=O)OC)C2)s1 ZINC001475400545 1068270884 /nfs/dbraw/zinc/27/08/84/1068270884.db2.gz FTBNXBIYACNEKN-ZDUSSCGKSA-N 1 2 453.608 -0.045 20 0 JBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)nc1 ZINC001476134241 1068275059 /nfs/dbraw/zinc/27/50/59/1068275059.db2.gz TUOBDOQYKALPDJ-KRWDZBQOSA-N 1 2 456.569 -0.680 20 0 JBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)nc1 ZINC001476134242 1068274946 /nfs/dbraw/zinc/27/49/46/1068274946.db2.gz TUOBDOQYKALPDJ-QGZVFWFLSA-N 1 2 456.569 -0.680 20 0 JBADLO CN(C)S(=O)(=O)C[C@@H](NC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)C(F)(F)F ZINC001476572520 1068275536 /nfs/dbraw/zinc/27/55/36/1068275536.db2.gz DXTHUXZCPPXUFV-GFCCVEGCSA-N 1 2 452.521 -0.383 20 0 JBADLO CN(C)S(=O)(=O)C[C@H](NC(=O)NC1CC[NH+](CCS(C)(=O)=O)CC1)C(F)(F)F ZINC001476572521 1068275794 /nfs/dbraw/zinc/27/57/94/1068275794.db2.gz DXTHUXZCPPXUFV-LBPRGKRZSA-N 1 2 452.521 -0.383 20 0 JBADLO C[C@H]1CN(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@H](C)S1(=O)=O ZINC001477275028 1068276964 /nfs/dbraw/zinc/27/69/64/1068276964.db2.gz HOSWVGNNIZXRPQ-HOTGVXAUSA-N 1 2 459.594 -0.250 20 0 JBADLO C[C@@H]1CN(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@@H](C)S1(=O)=O ZINC001477275029 1068277140 /nfs/dbraw/zinc/27/71/40/1068277140.db2.gz HOSWVGNNIZXRPQ-HZPDHXFCSA-N 1 2 459.594 -0.250 20 0 JBADLO C[C@@H]1CN(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C[C@H](C)S1(=O)=O ZINC001477275030 1068277098 /nfs/dbraw/zinc/27/70/98/1068277098.db2.gz HOSWVGNNIZXRPQ-IYBDPMFKSA-N 1 2 459.594 -0.250 20 0 JBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)N1CCN2C(=O)OCC[C@H]2C1 ZINC001477275151 1068276763 /nfs/dbraw/zinc/27/67/63/1068276763.db2.gz LUKSXEYBUGGYJR-INIZCTEOSA-N 1 2 452.537 -0.231 20 0 JBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)N1CCN2C(=O)OCC[C@@H]2C1 ZINC001477275152 1068276937 /nfs/dbraw/zinc/27/69/37/1068276937.db2.gz LUKSXEYBUGGYJR-MRXNPFEDSA-N 1 2 452.537 -0.231 20 0 JBADLO CS(=O)(=O)C1CCN(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC001477275164 1068276701 /nfs/dbraw/zinc/27/67/01/1068276701.db2.gz MNTUOXVDPCMGEH-UHFFFAOYSA-N 1 2 459.594 -0.248 20 0 JBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)N[C@@H]1C[C@@H]2CCCCN2C1=O ZINC001477275286 1068277126 /nfs/dbraw/zinc/27/71/26/1068277126.db2.gz QRZKEAYBEPPCJF-DLBZAZTESA-N 1 2 450.565 -0.014 20 0 JBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)N[C@@H]1C[C@H]2CCCCN2C1=O ZINC001477275287 1068276901 /nfs/dbraw/zinc/27/69/01/1068276901.db2.gz QRZKEAYBEPPCJF-IAGOWNOFSA-N 1 2 450.565 -0.014 20 0 JBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)N[C@H]1C[C@@H]2CCCCN2C1=O ZINC001477275288 1068277057 /nfs/dbraw/zinc/27/70/57/1068277057.db2.gz QRZKEAYBEPPCJF-IRXDYDNUSA-N 1 2 450.565 -0.014 20 0 JBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)N[C@H]1C[C@H]2CCCCN2C1=O ZINC001477275289 1068276734 /nfs/dbraw/zinc/27/67/34/1068276734.db2.gz QRZKEAYBEPPCJF-SJORKVTESA-N 1 2 450.565 -0.014 20 0 JBADLO C[C@H]1CCN(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CCS1(=O)=O ZINC001477275293 1068276839 /nfs/dbraw/zinc/27/68/39/1068276839.db2.gz QVULNNMFHXFKJV-INIZCTEOSA-N 1 2 459.594 -0.248 20 0 JBADLO C[C@@H]1CCN(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CCS1(=O)=O ZINC001477275294 1068276992 /nfs/dbraw/zinc/27/69/92/1068276992.db2.gz QVULNNMFHXFKJV-MRXNPFEDSA-N 1 2 459.594 -0.248 20 0 JBADLO C[C@@H]1C[C@H]1N1C[C@H](NC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CC1=O ZINC001477275305 1068277739 /nfs/dbraw/zinc/27/77/39/1068277739.db2.gz RFKDNKPWVUXWGF-BRWVUGGUSA-N 1 2 450.565 -0.158 20 0 JBADLO C[C@@H]1C[C@@H]1N1C[C@@H](NC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CC1=O ZINC001477275306 1068277599 /nfs/dbraw/zinc/27/75/99/1068277599.db2.gz RFKDNKPWVUXWGF-IKGGRYGDSA-N 1 2 450.565 -0.158 20 0 JBADLO C[C@@H]1C[C@H]1N1C[C@@H](NC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CC1=O ZINC001477275307 1068277907 /nfs/dbraw/zinc/27/79/07/1068277907.db2.gz RFKDNKPWVUXWGF-IXDOHACOSA-N 1 2 450.565 -0.158 20 0 JBADLO C[C@@H]1C[C@@H]1N1C[C@H](NC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CC1=O ZINC001477275308 1068277816 /nfs/dbraw/zinc/27/78/16/1068277816.db2.gz RFKDNKPWVUXWGF-ZACQAIPSSA-N 1 2 450.565 -0.158 20 0 JBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)NC[C@@H]1CC(=O)N(C2CC2)C1 ZINC001477275473 1068277773 /nfs/dbraw/zinc/27/77/73/1068277773.db2.gz UBJZIBCKUVGQQP-INIZCTEOSA-N 1 2 450.565 -0.157 20 0 JBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)NC[C@H]1CC(=O)N(C2CC2)C1 ZINC001477275474 1068277798 /nfs/dbraw/zinc/27/77/98/1068277798.db2.gz UBJZIBCKUVGQQP-MRXNPFEDSA-N 1 2 450.565 -0.157 20 0 JBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)N[C@H]1CC(=O)N(CC2CC2)C1 ZINC001477275658 1068277684 /nfs/dbraw/zinc/27/76/84/1068277684.db2.gz WXIIIMOFSSQXLU-KRWDZBQOSA-N 1 2 450.565 -0.157 20 0 JBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)N[C@@H]1CC(=O)N(CC2CC2)C1 ZINC001477275659 1068277861 /nfs/dbraw/zinc/27/78/61/1068277861.db2.gz WXIIIMOFSSQXLU-QGZVFWFLSA-N 1 2 450.565 -0.157 20 0 JBADLO CN(C)C(=O)Cn1nc2n(c1=O)CCN(C(=O)NCc1ccccc1C[NH+]1CCOCC1)C2 ZINC001477442992 1068278507 /nfs/dbraw/zinc/27/85/07/1068278507.db2.gz AVEOYSDCVJIERW-UHFFFAOYSA-N 1 2 457.535 -0.309 20 0 JBADLO CCS(=O)(=O)NCCCNC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC001477814132 1068279699 /nfs/dbraw/zinc/27/96/99/1068279699.db2.gz LSYHSKYQVPBEMN-INIZCTEOSA-N 1 2 455.585 -0.089 20 0 JBADLO CCS(=O)(=O)NCCCNC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC001477814132 1068279688 /nfs/dbraw/zinc/27/96/88/1068279688.db2.gz LSYHSKYQVPBEMN-INIZCTEOSA-N 1 2 455.585 -0.089 20 0 JBADLO CCS(=O)(=O)NCCCNC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC001477814133 1068279866 /nfs/dbraw/zinc/27/98/66/1068279866.db2.gz LSYHSKYQVPBEMN-MRXNPFEDSA-N 1 2 455.585 -0.089 20 0 JBADLO CCS(=O)(=O)NCCCNC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC001477814133 1068279857 /nfs/dbraw/zinc/27/98/57/1068279857.db2.gz LSYHSKYQVPBEMN-MRXNPFEDSA-N 1 2 455.585 -0.089 20 0 JBADLO COC(=O)CS(=O)(=O)Cc1ccc(CNC(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)cc1 ZINC001478187287 1068282154 /nfs/dbraw/zinc/28/21/54/1068282154.db2.gz RIVZAFMGHBPJEH-GOSISDBHSA-N 1 2 457.549 -0.391 20 0 JBADLO COC(=O)CS(=O)(=O)Cc1ccc(CNC(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)cc1 ZINC001478187289 1068281955 /nfs/dbraw/zinc/28/19/55/1068281955.db2.gz RIVZAFMGHBPJEH-SFHVURJKSA-N 1 2 457.549 -0.391 20 0 JBADLO CS(=O)(=O)N1CCC[C@@H]1CNC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC001478220256 1068282066 /nfs/dbraw/zinc/28/20/66/1068282066.db2.gz PZGNUBZFVPLHDX-MRXNPFEDSA-N 1 2 453.569 -0.431 20 0 JBADLO CS(=O)(=O)N1CCC[C@@H]1CNC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC001478220256 1068282056 /nfs/dbraw/zinc/28/20/56/1068282056.db2.gz PZGNUBZFVPLHDX-MRXNPFEDSA-N 1 2 453.569 -0.431 20 0 JBADLO C[C@@H](NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)c1nc(C(F)(F)F)no1 ZINC001479599467 1068286238 /nfs/dbraw/zinc/28/62/38/1068286238.db2.gz BDXIBLGPSLUTKN-LLVKDONJSA-N 1 2 455.463 -0.031 20 0 JBADLO C[C@H](NC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)c1nc(C(F)(F)F)no1 ZINC001479599473 1068286101 /nfs/dbraw/zinc/28/61/01/1068286101.db2.gz BDXIBLGPSLUTKN-NSHDSACASA-N 1 2 455.463 -0.031 20 0 JBADLO Cc1nc(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@@](C)([NH+]3CCOCC3)C2)n[nH]1 ZINC001492686572 1070780341 /nfs/dbraw/zinc/78/03/41/1070780341.db2.gz FCHYKZBTDKCUMJ-AUUYWEPGSA-N 1 2 467.600 -0.141 20 0 JBADLO Cc1nc(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@@](C)([NH+]3CCOCC3)C2)n[nH]1 ZINC001492686573 1070780245 /nfs/dbraw/zinc/78/02/45/1070780245.db2.gz FCHYKZBTDKCUMJ-IFXJQAMLSA-N 1 2 467.600 -0.141 20 0 JBADLO Cc1nc(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@](C)([NH+]3CCOCC3)C2)n[nH]1 ZINC001492686574 1070780216 /nfs/dbraw/zinc/78/02/16/1070780216.db2.gz FCHYKZBTDKCUMJ-KUHUBIRLSA-N 1 2 467.600 -0.141 20 0 JBADLO Cc1nc(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@](C)([NH+]3CCOCC3)C2)n[nH]1 ZINC001492686575 1070780926 /nfs/dbraw/zinc/78/09/26/1070780926.db2.gz FCHYKZBTDKCUMJ-LIRRHRJNSA-N 1 2 467.600 -0.141 20 0 JBADLO Cc1nc(N2CCN(c3nnc([C@@H](C)NS(C)(=O)=O)n3C[C@@]3(C)CN(C)C3=O)CC2)cc[nH+]1 ZINC001492703108 1070781613 /nfs/dbraw/zinc/78/16/13/1070781613.db2.gz CWSFISYFOXNMDR-JLTOFOAXSA-N 1 2 477.595 -0.208 20 0 JBADLO Cc1nc(N2CCN(c3nnc([C@H](C)NS(C)(=O)=O)n3C[C@@]3(C)CN(C)C3=O)CC2)cc[nH+]1 ZINC001492703109 1070781413 /nfs/dbraw/zinc/78/14/13/1070781413.db2.gz CWSFISYFOXNMDR-VBKZILBWSA-N 1 2 477.595 -0.208 20 0 JBADLO Cc1nc(N2CCN(c3nnc([C@@H](C)NS(C)(=O)=O)n3C[C@]3(C)CN(C)C3=O)CC2)cc[nH+]1 ZINC001492703110 1070781441 /nfs/dbraw/zinc/78/14/41/1070781441.db2.gz CWSFISYFOXNMDR-VLIAUNLRSA-N 1 2 477.595 -0.208 20 0 JBADLO Cc1nc(N2CCN(c3nnc([C@H](C)NS(C)(=O)=O)n3C[C@]3(C)CN(C)C3=O)CC2)cc[nH+]1 ZINC001492703111 1070781565 /nfs/dbraw/zinc/78/15/65/1070781565.db2.gz CWSFISYFOXNMDR-XOBRGWDASA-N 1 2 477.595 -0.208 20 0 JBADLO Cc1nc(N2CCN(c3nnc([C@H](C)NS(C)(=O)=O)n3C[C@H]3CCC(=O)N3)CC2)cc[nH+]1 ZINC001492703160 1070781480 /nfs/dbraw/zinc/78/14/80/1070781480.db2.gz GAFHUIJCHRJDRO-DZGCQCFKSA-N 1 2 463.568 -0.408 20 0 JBADLO Cc1nc(N2CCN(c3nnc([C@@H](C)NS(C)(=O)=O)n3C[C@H]3CCC(=O)N3)CC2)cc[nH+]1 ZINC001492703161 1070781543 /nfs/dbraw/zinc/78/15/43/1070781543.db2.gz GAFHUIJCHRJDRO-UKRRQHHQSA-N 1 2 463.568 -0.408 20 0 JBADLO Cc1nc(N2CCN(c3nnc([C@H](C)NS(C)(=O)=O)n3CC(=O)NCC3CC3)CC2)cc[nH+]1 ZINC001492703163 1070781398 /nfs/dbraw/zinc/78/13/98/1070781398.db2.gz GDJYCEAZULKTLU-AWEZNQCLSA-N 1 2 477.595 -0.160 20 0 JBADLO Cc1nc(N2CCN(c3nnc([C@@H](C)NS(C)(=O)=O)n3CC(=O)NCC3CC3)CC2)cc[nH+]1 ZINC001492703164 1070781364 /nfs/dbraw/zinc/78/13/64/1070781364.db2.gz GDJYCEAZULKTLU-CQSZACIVSA-N 1 2 477.595 -0.160 20 0 JBADLO Cc1nc(N2CCN(c3nnc([C@@H]4CCC(=O)N4)n3CCS(=O)(=O)NC(C)C)CC2)cc[nH+]1 ZINC001492703225 1070781383 /nfs/dbraw/zinc/78/13/83/1070781383.db2.gz IHXOOJXSAXKQPF-INIZCTEOSA-N 1 2 477.595 -0.018 20 0 JBADLO Cc1nc(N2CCN(c3nnc([C@H]4CCC(=O)N4)n3CCS(=O)(=O)NC(C)C)CC2)cc[nH+]1 ZINC001492703226 1070781466 /nfs/dbraw/zinc/78/14/66/1070781466.db2.gz IHXOOJXSAXKQPF-MRXNPFEDSA-N 1 2 477.595 -0.018 20 0 JBADLO Cc1cc(C)n(Cc2nnc(N(C)CCNS(C)(=O)=O)n2CC2([NH+]3CCOCC3)CC2)n1 ZINC001492739394 1070783240 /nfs/dbraw/zinc/78/32/40/1070783240.db2.gz HOKRGEHORVOWKY-UHFFFAOYSA-N 1 2 466.612 -0.010 20 0 JBADLO Cc1cc(C)n(Cc2nnc(N(C)CC[NH+]3CCOCC3)n2CCS(=O)(=O)N(C)C)n1 ZINC001492739660 1070783122 /nfs/dbraw/zinc/78/31/22/1070783122.db2.gz QCORMODUWOESET-UHFFFAOYSA-N 1 2 454.601 -0.200 20 0 JBADLO Cc1nnc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)n1CCNS(=O)(=O)Cc1ccon1 ZINC001492898237 1070784638 /nfs/dbraw/zinc/78/46/38/1070784638.db2.gz JTIHJGJPGCNGCY-INIZCTEOSA-N 1 2 480.595 -0.173 20 0 JBADLO Cc1nnc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)n1CCNS(=O)(=O)Cc1ccon1 ZINC001492898241 1070784363 /nfs/dbraw/zinc/78/43/63/1070784363.db2.gz JTIHJGJPGCNGCY-MRXNPFEDSA-N 1 2 480.595 -0.173 20 0 JBADLO C[C@H]1CN(C)C(=O)CN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001494117954 1068290227 /nfs/dbraw/zinc/29/02/27/1068290227.db2.gz ACMBTVNXOHXRLJ-DOTOQJQBSA-N 1 2 492.606 -0.213 20 0 JBADLO C[C@@H]1CN(C)C(=O)CN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001494117966 1068290248 /nfs/dbraw/zinc/29/02/48/1068290248.db2.gz ACMBTVNXOHXRLJ-NVXWUHKLSA-N 1 2 492.606 -0.213 20 0 JBADLO C[C@H]1CN(C)C(=O)CN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001494117973 1068290363 /nfs/dbraw/zinc/29/03/63/1068290363.db2.gz ACMBTVNXOHXRLJ-RDJZCZTQSA-N 1 2 492.606 -0.213 20 0 JBADLO C[C@@H]1CN(C)C(=O)CN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001494117980 1068290387 /nfs/dbraw/zinc/29/03/87/1068290387.db2.gz ACMBTVNXOHXRLJ-WBVHZDCISA-N 1 2 492.606 -0.213 20 0 JBADLO C[C@H]1CN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@H+]2CCOCC2(C)C)CC(=O)N1C ZINC001494367268 1068295622 /nfs/dbraw/zinc/29/56/22/1068295622.db2.gz YHHMWHRZZDNGEG-DLBZAZTESA-N 1 2 499.638 -0.611 20 0 JBADLO C[C@H]1CN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@@H+]2CCOCC2(C)C)CC(=O)N1C ZINC001494367268 1068295615 /nfs/dbraw/zinc/29/56/15/1068295615.db2.gz YHHMWHRZZDNGEG-DLBZAZTESA-N 1 2 499.638 -0.611 20 0 JBADLO C[C@@H]1CN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@H+]2CCOCC2(C)C)CC(=O)N1C ZINC001494367269 1068295899 /nfs/dbraw/zinc/29/58/99/1068295899.db2.gz YHHMWHRZZDNGEG-IAGOWNOFSA-N 1 2 499.638 -0.611 20 0 JBADLO C[C@@H]1CN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@@H+]2CCOCC2(C)C)CC(=O)N1C ZINC001494367269 1068295887 /nfs/dbraw/zinc/29/58/87/1068295887.db2.gz YHHMWHRZZDNGEG-IAGOWNOFSA-N 1 2 499.638 -0.611 20 0 JBADLO C[C@H]1CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@H+]2CCOCC2(C)C)CC(=O)N1C ZINC001494367270 1068295868 /nfs/dbraw/zinc/29/58/68/1068295868.db2.gz YHHMWHRZZDNGEG-IRXDYDNUSA-N 1 2 499.638 -0.611 20 0 JBADLO C[C@H]1CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@@H+]2CCOCC2(C)C)CC(=O)N1C ZINC001494367270 1068295858 /nfs/dbraw/zinc/29/58/58/1068295858.db2.gz YHHMWHRZZDNGEG-IRXDYDNUSA-N 1 2 499.638 -0.611 20 0 JBADLO C[C@@H]1CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@H+]2CCOCC2(C)C)CC(=O)N1C ZINC001494367271 1068295652 /nfs/dbraw/zinc/29/56/52/1068295652.db2.gz YHHMWHRZZDNGEG-SJORKVTESA-N 1 2 499.638 -0.611 20 0 JBADLO C[C@@H]1CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@@H+]2CCOCC2(C)C)CC(=O)N1C ZINC001494367271 1068295645 /nfs/dbraw/zinc/29/56/45/1068295645.db2.gz YHHMWHRZZDNGEG-SJORKVTESA-N 1 2 499.638 -0.611 20 0 JBADLO C[C@H]1COCC[N@H+]1CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCO[C@H](C)C1 ZINC001494367814 1068295816 /nfs/dbraw/zinc/29/58/16/1068295816.db2.gz ZKILPLJLZMDZSW-KSZLIROESA-N 1 2 472.612 -0.053 20 0 JBADLO C[C@H]1COCC[N@@H+]1CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCO[C@H](C)C1 ZINC001494367814 1068295804 /nfs/dbraw/zinc/29/58/04/1068295804.db2.gz ZKILPLJLZMDZSW-KSZLIROESA-N 1 2 472.612 -0.053 20 0 JBADLO C[C@@H]1COCC[N@H+]1CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCO[C@H](C)C1 ZINC001494367816 1068295553 /nfs/dbraw/zinc/29/55/53/1068295553.db2.gz ZKILPLJLZMDZSW-KURKYZTESA-N 1 2 472.612 -0.053 20 0 JBADLO C[C@@H]1COCC[N@@H+]1CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCO[C@H](C)C1 ZINC001494367816 1068295543 /nfs/dbraw/zinc/29/55/43/1068295543.db2.gz ZKILPLJLZMDZSW-KURKYZTESA-N 1 2 472.612 -0.053 20 0 JBADLO C[C@@H]1COCC[N@H+]1CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCO[C@H](C)C1 ZINC001494367818 1068295578 /nfs/dbraw/zinc/29/55/78/1068295578.db2.gz ZKILPLJLZMDZSW-KZNAEPCWSA-N 1 2 472.612 -0.053 20 0 JBADLO C[C@@H]1COCC[N@@H+]1CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCO[C@H](C)C1 ZINC001494367818 1068295573 /nfs/dbraw/zinc/29/55/73/1068295573.db2.gz ZKILPLJLZMDZSW-KZNAEPCWSA-N 1 2 472.612 -0.053 20 0 JBADLO C[C@H]1COCC[N@H+]1CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCO[C@H](C)C1 ZINC001494367819 1068295955 /nfs/dbraw/zinc/29/59/55/1068295955.db2.gz ZKILPLJLZMDZSW-RCCFBDPRSA-N 1 2 472.612 -0.053 20 0 JBADLO C[C@H]1COCC[N@@H+]1CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCCO[C@H](C)C1 ZINC001494367819 1068295939 /nfs/dbraw/zinc/29/59/39/1068295939.db2.gz ZKILPLJLZMDZSW-RCCFBDPRSA-N 1 2 472.612 -0.053 20 0 JBADLO C[C@H]1COCC[N@H+]1CCn1c([C@H]2CCC(=O)N2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 ZINC001494604727 1068297283 /nfs/dbraw/zinc/29/72/83/1068297283.db2.gz OULDCRRIQZRYHN-DOTOQJQBSA-N 1 2 469.612 -0.190 20 0 JBADLO C[C@H]1COCC[N@@H+]1CCn1c([C@H]2CCC(=O)N2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 ZINC001494604727 1068297273 /nfs/dbraw/zinc/29/72/73/1068297273.db2.gz OULDCRRIQZRYHN-DOTOQJQBSA-N 1 2 469.612 -0.190 20 0 JBADLO C[C@@H]1COCC[N@H+]1CCn1c([C@H]2CCC(=O)N2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 ZINC001494604729 1068297365 /nfs/dbraw/zinc/29/73/65/1068297365.db2.gz OULDCRRIQZRYHN-NVXWUHKLSA-N 1 2 469.612 -0.190 20 0 JBADLO C[C@@H]1COCC[N@@H+]1CCn1c([C@H]2CCC(=O)N2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 ZINC001494604729 1068297355 /nfs/dbraw/zinc/29/73/55/1068297355.db2.gz OULDCRRIQZRYHN-NVXWUHKLSA-N 1 2 469.612 -0.190 20 0 JBADLO C[C@H]1COCC[N@H+]1CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 ZINC001494604732 1068297135 /nfs/dbraw/zinc/29/71/35/1068297135.db2.gz OULDCRRIQZRYHN-RDJZCZTQSA-N 1 2 469.612 -0.190 20 0 JBADLO C[C@H]1COCC[N@@H+]1CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 ZINC001494604732 1068297125 /nfs/dbraw/zinc/29/71/25/1068297125.db2.gz OULDCRRIQZRYHN-RDJZCZTQSA-N 1 2 469.612 -0.190 20 0 JBADLO C[C@@H]1COCC[N@H+]1CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 ZINC001494604735 1068297892 /nfs/dbraw/zinc/29/78/92/1068297892.db2.gz OULDCRRIQZRYHN-WBVHZDCISA-N 1 2 469.612 -0.190 20 0 JBADLO C[C@@H]1COCC[N@@H+]1CCn1c([C@@H]2CCC(=O)N2)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 ZINC001494604735 1068297885 /nfs/dbraw/zinc/29/78/85/1068297885.db2.gz OULDCRRIQZRYHN-WBVHZDCISA-N 1 2 469.612 -0.190 20 0 JBADLO C[C@@H]1COCC[N@H+]1CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H]1CCOC1 ZINC001494605213 1068297986 /nfs/dbraw/zinc/29/79/86/1068297986.db2.gz TXZNCYKTWFFDQV-BRWVUGGUSA-N 1 2 458.585 -0.443 20 0 JBADLO C[C@@H]1COCC[N@@H+]1CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H]1CCOC1 ZINC001494605213 1068297976 /nfs/dbraw/zinc/29/79/76/1068297976.db2.gz TXZNCYKTWFFDQV-BRWVUGGUSA-N 1 2 458.585 -0.443 20 0 JBADLO C[C@@H]1COCC[N@H+]1CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H]1CCOC1 ZINC001494605214 1068298024 /nfs/dbraw/zinc/29/80/24/1068298024.db2.gz TXZNCYKTWFFDQV-IKGGRYGDSA-N 1 2 458.585 -0.443 20 0 JBADLO C[C@@H]1COCC[N@@H+]1CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H]1CCOC1 ZINC001494605214 1068298018 /nfs/dbraw/zinc/29/80/18/1068298018.db2.gz TXZNCYKTWFFDQV-IKGGRYGDSA-N 1 2 458.585 -0.443 20 0 JBADLO C[C@@H]1COCC[N@H+]1CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H]1CCOC1 ZINC001494605215 1068297793 /nfs/dbraw/zinc/29/77/93/1068297793.db2.gz TXZNCYKTWFFDQV-IXDOHACOSA-N 1 2 458.585 -0.443 20 0 JBADLO C[C@@H]1COCC[N@@H+]1CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@H]1CCOC1 ZINC001494605215 1068297785 /nfs/dbraw/zinc/29/77/85/1068297785.db2.gz TXZNCYKTWFFDQV-IXDOHACOSA-N 1 2 458.585 -0.443 20 0 JBADLO C[C@@H]1COCC[N@H+]1CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H]1CCOC1 ZINC001494605216 1068297858 /nfs/dbraw/zinc/29/78/58/1068297858.db2.gz TXZNCYKTWFFDQV-ZACQAIPSSA-N 1 2 458.585 -0.443 20 0 JBADLO C[C@@H]1COCC[N@@H+]1CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)[C@@H]1CCOC1 ZINC001494605216 1068297848 /nfs/dbraw/zinc/29/78/48/1068297848.db2.gz TXZNCYKTWFFDQV-ZACQAIPSSA-N 1 2 458.585 -0.443 20 0 JBADLO CCC(CC)NC(=O)c1nnc(N2CCN3C(=O)C(=O)NC[C@H]3C2)n1CC[N@H+]1CCOCC1(C)C ZINC001497070568 1068304004 /nfs/dbraw/zinc/30/40/04/1068304004.db2.gz LSFPIJYOCJAFQQ-KRWDZBQOSA-N 1 2 490.609 -0.546 20 0 JBADLO CCC(CC)NC(=O)c1nnc(N2CCN3C(=O)C(=O)NC[C@H]3C2)n1CC[N@@H+]1CCOCC1(C)C ZINC001497070568 1068303987 /nfs/dbraw/zinc/30/39/87/1068303987.db2.gz LSFPIJYOCJAFQQ-KRWDZBQOSA-N 1 2 490.609 -0.546 20 0 JBADLO CCC(CC)NC(=O)c1nnc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)n1CC[N@H+]1CCOCC1(C)C ZINC001497070569 1068303757 /nfs/dbraw/zinc/30/37/57/1068303757.db2.gz LSFPIJYOCJAFQQ-QGZVFWFLSA-N 1 2 490.609 -0.546 20 0 JBADLO CCC(CC)NC(=O)c1nnc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)n1CC[N@@H+]1CCOCC1(C)C ZINC001497070569 1068303742 /nfs/dbraw/zinc/30/37/42/1068303742.db2.gz LSFPIJYOCJAFQQ-QGZVFWFLSA-N 1 2 490.609 -0.546 20 0 JBADLO CCc1nnc(N2CCN(c3ccc(C(N)=O)cn3)CC2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001499150801 1068307427 /nfs/dbraw/zinc/30/74/27/1068307427.db2.gz RRWVFPNNUUTFSC-UHFFFAOYSA-N 1 2 455.567 -0.175 20 0 JBADLO CC[C@@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2CCS(=O)(=O)C2)CC[N@H+]1CCOC ZINC001499657933 1068310179 /nfs/dbraw/zinc/31/01/79/1068310179.db2.gz BOLIOLXFLDNFEA-BRWVUGGUSA-N 1 2 492.668 -0.130 20 0 JBADLO CC[C@@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2CCS(=O)(=O)C2)CC[N@@H+]1CCOC ZINC001499657933 1068310161 /nfs/dbraw/zinc/31/01/61/1068310161.db2.gz BOLIOLXFLDNFEA-BRWVUGGUSA-N 1 2 492.668 -0.130 20 0 JBADLO CC[C@@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCS(=O)(=O)C2)CC[N@H+]1CCOC ZINC001499657937 1068310583 /nfs/dbraw/zinc/31/05/83/1068310583.db2.gz BOLIOLXFLDNFEA-GVDBMIGSSA-N 1 2 492.668 -0.130 20 0 JBADLO CC[C@@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCS(=O)(=O)C2)CC[N@@H+]1CCOC ZINC001499657937 1068310563 /nfs/dbraw/zinc/31/05/63/1068310563.db2.gz BOLIOLXFLDNFEA-GVDBMIGSSA-N 1 2 492.668 -0.130 20 0 JBADLO CC[C@@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2CCS(=O)(=O)C2)CC[N@H+]1CCOC ZINC001499657940 1068310524 /nfs/dbraw/zinc/31/05/24/1068310524.db2.gz BOLIOLXFLDNFEA-IXDOHACOSA-N 1 2 492.668 -0.130 20 0 JBADLO CC[C@@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2CCS(=O)(=O)C2)CC[N@@H+]1CCOC ZINC001499657940 1068310506 /nfs/dbraw/zinc/31/05/06/1068310506.db2.gz BOLIOLXFLDNFEA-IXDOHACOSA-N 1 2 492.668 -0.130 20 0 JBADLO CC[C@@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCS(=O)(=O)C2)CC[N@H+]1CCOC ZINC001499657943 1068310330 /nfs/dbraw/zinc/31/03/30/1068310330.db2.gz BOLIOLXFLDNFEA-YESZJQIVSA-N 1 2 492.668 -0.130 20 0 JBADLO CC[C@@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCS(=O)(=O)C2)CC[N@@H+]1CCOC ZINC001499657943 1068310309 /nfs/dbraw/zinc/31/03/09/1068310309.db2.gz BOLIOLXFLDNFEA-YESZJQIVSA-N 1 2 492.668 -0.130 20 0 JBADLO CC[C@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(=O)N2CCOCC2)CC[N@H+]1CCOC ZINC001499729241 1068311287 /nfs/dbraw/zinc/31/12/87/1068311287.db2.gz RTWXWACZYOJZGV-MSOLQXFVSA-N 1 2 484.623 -0.414 20 0 JBADLO CC[C@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(=O)N2CCOCC2)CC[N@@H+]1CCOC ZINC001499729241 1068311263 /nfs/dbraw/zinc/31/12/63/1068311263.db2.gz RTWXWACZYOJZGV-MSOLQXFVSA-N 1 2 484.623 -0.414 20 0 JBADLO CC[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(=O)N2CCOCC2)CC[N@H+]1CCOC ZINC001499729243 1068310779 /nfs/dbraw/zinc/31/07/79/1068310779.db2.gz RTWXWACZYOJZGV-QZTJIDSGSA-N 1 2 484.623 -0.414 20 0 JBADLO CC[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(=O)N2CCOCC2)CC[N@@H+]1CCOC ZINC001499729243 1068310761 /nfs/dbraw/zinc/31/07/61/1068310761.db2.gz RTWXWACZYOJZGV-QZTJIDSGSA-N 1 2 484.623 -0.414 20 0 JBADLO CC[C@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(=O)N2CCOCC2)CC[N@H+]1CCOC ZINC001499729245 1068311150 /nfs/dbraw/zinc/31/11/50/1068311150.db2.gz RTWXWACZYOJZGV-ROUUACIJSA-N 1 2 484.623 -0.414 20 0 JBADLO CC[C@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(=O)N2CCOCC2)CC[N@@H+]1CCOC ZINC001499729245 1068311136 /nfs/dbraw/zinc/31/11/36/1068311136.db2.gz RTWXWACZYOJZGV-ROUUACIJSA-N 1 2 484.623 -0.414 20 0 JBADLO CC[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(=O)N2CCOCC2)CC[N@H+]1CCOC ZINC001499729247 1068310991 /nfs/dbraw/zinc/31/09/91/1068310991.db2.gz RTWXWACZYOJZGV-ZWKOTPCHSA-N 1 2 484.623 -0.414 20 0 JBADLO CC[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(=O)N2CCOCC2)CC[N@@H+]1CCOC ZINC001499729247 1068310972 /nfs/dbraw/zinc/31/09/72/1068310972.db2.gz RTWXWACZYOJZGV-ZWKOTPCHSA-N 1 2 484.623 -0.414 20 0 JBADLO CCN(C)C(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001501421114 1068321149 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/nfs/dbraw/zinc/33/20/16/1068332016.db2.gz PGUPPGYTUFLKSM-JYJNAYRXSA-N 1 2 498.610 -0.918 20 0 JBADLO CCN1C(=O)[C@@H]2CN(c3nnc([C@@H](C)NS(C)(=O)=O)n3CC[N@H+]3CCOC[C@H]3C)CCN2C1=O ZINC001502213975 1068331739 /nfs/dbraw/zinc/33/17/39/1068331739.db2.gz PGUPPGYTUFLKSM-OAGGEKHMSA-N 1 2 498.610 -0.918 20 0 JBADLO CCN1C(=O)[C@@H]2CN(c3nnc([C@@H](C)NS(C)(=O)=O)n3CC[N@@H+]3CCOC[C@H]3C)CCN2C1=O ZINC001502213975 1068331717 /nfs/dbraw/zinc/33/17/17/1068331717.db2.gz PGUPPGYTUFLKSM-OAGGEKHMSA-N 1 2 498.610 -0.918 20 0 JBADLO CCN1C(=O)[C@@H]2CN(c3nnc([C@H](C)NS(C)(=O)=O)n3CC[N@H+]3CCOC[C@H]3C)CCN2C1=O ZINC001502213976 1068331609 /nfs/dbraw/zinc/33/16/09/1068331609.db2.gz PGUPPGYTUFLKSM-PMPSAXMXSA-N 1 2 498.610 -0.918 20 0 JBADLO CCN1C(=O)[C@@H]2CN(c3nnc([C@H](C)NS(C)(=O)=O)n3CC[N@@H+]3CCOC[C@H]3C)CCN2C1=O ZINC001502213976 1068331592 /nfs/dbraw/zinc/33/15/92/1068331592.db2.gz PGUPPGYTUFLKSM-PMPSAXMXSA-N 1 2 498.610 -0.918 20 0 JBADLO CCN1C(=O)[C@@H]2CN(c3nnc([C@@H](C)NS(C)(=O)=O)n3CC[N@H+]3CCOC[C@@H]3C)CCN2C1=O ZINC001502213977 1068331927 /nfs/dbraw/zinc/33/19/27/1068331927.db2.gz PGUPPGYTUFLKSM-XHSDSOJGSA-N 1 2 498.610 -0.918 20 0 JBADLO CCN1C(=O)[C@@H]2CN(c3nnc([C@@H](C)NS(C)(=O)=O)n3CC[N@@H+]3CCOC[C@@H]3C)CCN2C1=O ZINC001502213977 1068331906 /nfs/dbraw/zinc/33/19/06/1068331906.db2.gz PGUPPGYTUFLKSM-XHSDSOJGSA-N 1 2 498.610 -0.918 20 0 JBADLO CC[N@H+]1C[C@H](C)N(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCS(C)(=O)=O)C[C@H]1C ZINC001502256745 1068334318 /nfs/dbraw/zinc/33/43/18/1068334318.db2.gz BZBMGCDMRGMGDT-IKGGRYGDSA-N 1 2 492.668 -0.035 20 0 JBADLO CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCS(C)(=O)=O)C[C@H]1C ZINC001502256745 1068334299 /nfs/dbraw/zinc/33/42/99/1068334299.db2.gz BZBMGCDMRGMGDT-IKGGRYGDSA-N 1 2 492.668 -0.035 20 0 JBADLO CC[N@H+]1C[C@H](C)N(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCS(C)(=O)=O)C[C@H]1C ZINC001502256746 1068334109 /nfs/dbraw/zinc/33/41/09/1068334109.db2.gz BZBMGCDMRGMGDT-IXDOHACOSA-N 1 2 492.668 -0.035 20 0 JBADLO CC[N@@H+]1C[C@H](C)N(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCS(C)(=O)=O)C[C@H]1C ZINC001502256746 1068334096 /nfs/dbraw/zinc/33/40/96/1068334096.db2.gz BZBMGCDMRGMGDT-IXDOHACOSA-N 1 2 492.668 -0.035 20 0 JBADLO CC[N@H+]1C[C@H](C)N(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCS(C)(=O)=O)C[C@@H]1C ZINC001502256747 1068334587 /nfs/dbraw/zinc/33/45/87/1068334587.db2.gz BZBMGCDMRGMGDT-ULQDDVLXSA-N 1 2 492.668 -0.035 20 0 JBADLO CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCS(C)(=O)=O)C[C@@H]1C ZINC001502256747 1068334571 /nfs/dbraw/zinc/33/45/71/1068334571.db2.gz BZBMGCDMRGMGDT-ULQDDVLXSA-N 1 2 492.668 -0.035 20 0 JBADLO CC[N@H+]1C[C@H](C)N(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCS(C)(=O)=O)C[C@@H]1C ZINC001502256748 1068334412 /nfs/dbraw/zinc/33/44/12/1068334412.db2.gz BZBMGCDMRGMGDT-YESZJQIVSA-N 1 2 492.668 -0.035 20 0 JBADLO CC[N@@H+]1C[C@H](C)N(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCS(C)(=O)=O)C[C@@H]1C ZINC001502256748 1068334394 /nfs/dbraw/zinc/33/43/94/1068334394.db2.gz BZBMGCDMRGMGDT-YESZJQIVSA-N 1 2 492.668 -0.035 20 0 JBADLO CC[N@H+]1C[C@H](C)N(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCS(=O)(=O)N(C)C)C[C@@H]1C ZINC001502257887 1068335063 /nfs/dbraw/zinc/33/50/63/1068335063.db2.gz QSDXCNXBHQRMRG-HRCADAONSA-N 1 2 462.642 -0.010 20 0 JBADLO CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCS(=O)(=O)N(C)C)C[C@@H]1C ZINC001502257887 1068335046 /nfs/dbraw/zinc/33/50/46/1068335046.db2.gz QSDXCNXBHQRMRG-HRCADAONSA-N 1 2 462.642 -0.010 20 0 JBADLO CC[N@H+]1C[C@H](C)N(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCS(=O)(=O)N(C)C)C[C@@H]1C ZINC001502257888 1068335599 /nfs/dbraw/zinc/33/55/99/1068335599.db2.gz QSDXCNXBHQRMRG-JYJNAYRXSA-N 1 2 462.642 -0.010 20 0 JBADLO CC[N@@H+]1C[C@H](C)N(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCS(=O)(=O)N(C)C)C[C@@H]1C ZINC001502257888 1068335576 /nfs/dbraw/zinc/33/55/76/1068335576.db2.gz QSDXCNXBHQRMRG-JYJNAYRXSA-N 1 2 462.642 -0.010 20 0 JBADLO CC[N@H+]1C[C@H](C)N(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCS(=O)(=O)N(C)C)C[C@H]1C ZINC001502257889 1068335266 /nfs/dbraw/zinc/33/52/66/1068335266.db2.gz QSDXCNXBHQRMRG-OWCLPIDISA-N 1 2 462.642 -0.010 20 0 JBADLO CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCS(=O)(=O)N(C)C)C[C@H]1C ZINC001502257889 1068335253 /nfs/dbraw/zinc/33/52/53/1068335253.db2.gz QSDXCNXBHQRMRG-OWCLPIDISA-N 1 2 462.642 -0.010 20 0 JBADLO CC[N@H+]1C[C@H](C)N(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCS(=O)(=O)N(C)C)C[C@H]1C ZINC001502257890 1068335227 /nfs/dbraw/zinc/33/52/27/1068335227.db2.gz QSDXCNXBHQRMRG-PMPSAXMXSA-N 1 2 462.642 -0.010 20 0 JBADLO CC[N@@H+]1C[C@H](C)N(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCS(=O)(=O)N(C)C)C[C@H]1C ZINC001502257890 1068335207 /nfs/dbraw/zinc/33/52/07/1068335207.db2.gz QSDXCNXBHQRMRG-PMPSAXMXSA-N 1 2 462.642 -0.010 20 0 JBADLO CCN1CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[NH+]2CCN(C(C)=O)CC2)CC1=O ZINC001502301982 1068337086 /nfs/dbraw/zinc/33/70/86/1068337086.db2.gz VONATSPKKIDLJR-INIZCTEOSA-N 1 2 484.627 -0.889 20 0 JBADLO CCN1CCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[NH+]2CCN(C(C)=O)CC2)CC1=O ZINC001502301983 1068337370 /nfs/dbraw/zinc/33/73/70/1068337370.db2.gz VONATSPKKIDLJR-MRXNPFEDSA-N 1 2 484.627 -0.889 20 0 JBADLO CC[N@H+]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCN2CCN(C(C)=O)CC2)C[C@@H]1C ZINC001502327275 1068340097 /nfs/dbraw/zinc/34/00/97/1068340097.db2.gz KZJHZCCXWQMRIO-HKUYNNGSSA-N 1 2 467.640 -0.125 20 0 JBADLO CC[N@@H+]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCN2CCN(C(C)=O)CC2)C[C@@H]1C ZINC001502327275 1068340077 /nfs/dbraw/zinc/34/00/77/1068340077.db2.gz KZJHZCCXWQMRIO-HKUYNNGSSA-N 1 2 467.640 -0.125 20 0 JBADLO CC[N@H+]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCN2CCN(C(C)=O)CC2)C[C@H]1C ZINC001502327276 1068339741 /nfs/dbraw/zinc/33/97/41/1068339741.db2.gz KZJHZCCXWQMRIO-IEBWSBKVSA-N 1 2 467.640 -0.125 20 0 JBADLO CC[N@@H+]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCN2CCN(C(C)=O)CC2)C[C@H]1C ZINC001502327276 1068339727 /nfs/dbraw/zinc/33/97/27/1068339727.db2.gz KZJHZCCXWQMRIO-IEBWSBKVSA-N 1 2 467.640 -0.125 20 0 JBADLO CC[N@H+]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCN2CCN(C(C)=O)CC2)C[C@H]1C ZINC001502327277 1068339295 /nfs/dbraw/zinc/33/92/95/1068339295.db2.gz KZJHZCCXWQMRIO-MJGOQNOKSA-N 1 2 467.640 -0.125 20 0 JBADLO CC[N@@H+]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCN2CCN(C(C)=O)CC2)C[C@H]1C ZINC001502327277 1068339273 /nfs/dbraw/zinc/33/92/73/1068339273.db2.gz KZJHZCCXWQMRIO-MJGOQNOKSA-N 1 2 467.640 -0.125 20 0 JBADLO CC[N@H+]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCN2CCN(C(C)=O)CC2)C[C@@H]1C ZINC001502327278 1068340579 /nfs/dbraw/zinc/34/05/79/1068340579.db2.gz KZJHZCCXWQMRIO-PKOBYXMFSA-N 1 2 467.640 -0.125 20 0 JBADLO CC[N@@H+]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCN2CCN(C(C)=O)CC2)C[C@@H]1C ZINC001502327278 1068340562 /nfs/dbraw/zinc/34/05/62/1068340562.db2.gz KZJHZCCXWQMRIO-PKOBYXMFSA-N 1 2 467.640 -0.125 20 0 JBADLO CC[N@H+]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(C(N)=O)CCOCC2)C[C@H]1C ZINC001502327567 1068340747 /nfs/dbraw/zinc/34/07/47/1068340747.db2.gz PVROZPPQDKZYDN-CVEARBPZSA-N 1 2 454.597 -0.007 20 0 JBADLO CC[N@@H+]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(C(N)=O)CCOCC2)C[C@H]1C ZINC001502327567 1068340723 /nfs/dbraw/zinc/34/07/23/1068340723.db2.gz PVROZPPQDKZYDN-CVEARBPZSA-N 1 2 454.597 -0.007 20 0 JBADLO CC[N@H+]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(C(N)=O)CCOCC2)C[C@@H]1C ZINC001502327568 1068341109 /nfs/dbraw/zinc/34/11/09/1068341109.db2.gz PVROZPPQDKZYDN-HOTGVXAUSA-N 1 2 454.597 -0.007 20 0 JBADLO CC[N@@H+]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC2(C(N)=O)CCOCC2)C[C@@H]1C ZINC001502327568 1068341090 /nfs/dbraw/zinc/34/10/90/1068341090.db2.gz PVROZPPQDKZYDN-HOTGVXAUSA-N 1 2 454.597 -0.007 20 0 JBADLO CC[N@H+]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(C(N)=O)CCOCC2)C[C@H]1C ZINC001502327569 1068340524 /nfs/dbraw/zinc/34/05/24/1068340524.db2.gz PVROZPPQDKZYDN-HZPDHXFCSA-N 1 2 454.597 -0.007 20 0 JBADLO CC[N@@H+]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(C(N)=O)CCOCC2)C[C@H]1C ZINC001502327569 1068340504 /nfs/dbraw/zinc/34/05/04/1068340504.db2.gz PVROZPPQDKZYDN-HZPDHXFCSA-N 1 2 454.597 -0.007 20 0 JBADLO CC[N@H+]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(C(N)=O)CCOCC2)C[C@@H]1C ZINC001502327570 1068340310 /nfs/dbraw/zinc/34/03/10/1068340310.db2.gz PVROZPPQDKZYDN-JKSUJKDBSA-N 1 2 454.597 -0.007 20 0 JBADLO CC[N@@H+]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC2(C(N)=O)CCOCC2)C[C@@H]1C ZINC001502327570 1068340296 /nfs/dbraw/zinc/34/02/96/1068340296.db2.gz PVROZPPQDKZYDN-JKSUJKDBSA-N 1 2 454.597 -0.007 20 0 JBADLO CCN1CC[NH+]([C@H]2CCN(c3nnc(C(=O)Nc4ccccn4)n3CCNS(C)(=O)=O)C2)CC1 ZINC001502332038 1068341214 /nfs/dbraw/zinc/34/12/14/1068341214.db2.gz BMZUURXHXBSGNC-KRWDZBQOSA-N 1 2 491.622 -0.309 20 0 JBADLO CCN1CC[NH+]([C@@H]2CCN(c3nnc(C(=O)Nc4ccccn4)n3CCNS(C)(=O)=O)C2)CC1 ZINC001502332039 1068340834 /nfs/dbraw/zinc/34/08/34/1068340834.db2.gz BMZUURXHXBSGNC-QGZVFWFLSA-N 1 2 491.622 -0.309 20 0 JBADLO CCNC(=O)CN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2Cc2ccc(N(C)C)[nH+]c2)CC1 ZINC001502430086 1068348020 /nfs/dbraw/zinc/34/80/20/1068348020.db2.gz NUBPOHBRORUZBJ-KRWDZBQOSA-N 1 2 455.567 -0.003 20 0 JBADLO CCNC(=O)CN1CCN(c2nnc([C@H]3CCC(=O)N3)n2Cc2ccc(N(C)C)[nH+]c2)CC1 ZINC001502430087 1068347739 /nfs/dbraw/zinc/34/77/39/1068347739.db2.gz NUBPOHBRORUZBJ-QGZVFWFLSA-N 1 2 455.567 -0.003 20 0 JBADLO CCNS(=O)(=O)[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](C)[NH+]2CCOCC2)C1 ZINC001502483190 1068352042 /nfs/dbraw/zinc/35/20/42/1068352042.db2.gz OEPAPKBWMMJYFH-DLBZAZTESA-N 1 2 469.612 -0.361 20 0 JBADLO CCNS(=O)(=O)[C@@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](C)[NH+]2CCOCC2)C1 ZINC001502483191 1068352222 /nfs/dbraw/zinc/35/22/22/1068352222.db2.gz OEPAPKBWMMJYFH-IAGOWNOFSA-N 1 2 469.612 -0.361 20 0 JBADLO CCNS(=O)(=O)[C@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](C)[NH+]2CCOCC2)C1 ZINC001502483192 1068352329 /nfs/dbraw/zinc/35/23/29/1068352329.db2.gz OEPAPKBWMMJYFH-IRXDYDNUSA-N 1 2 469.612 -0.361 20 0 JBADLO CCNS(=O)(=O)[C@H]1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](C)[NH+]2CCOCC2)C1 ZINC001502483193 1068352142 /nfs/dbraw/zinc/35/21/42/1068352142.db2.gz OEPAPKBWMMJYFH-SJORKVTESA-N 1 2 469.612 -0.361 20 0 JBADLO CCOC(=O)N1CCN(c2nnc(CN3CCCC3=O)n2CC[NH+]2CCN(C(C)=O)CC2)CC1 ZINC001502506292 1068352586 /nfs/dbraw/zinc/35/25/86/1068352586.db2.gz VXFLUIVLPQIKEU-UHFFFAOYSA-N 1 2 476.582 -0.157 20 0 JBADLO CCO[C@]1(c2nnc(N3CCC(OCC(N)=O)CC3)n2CC[NH+]2CCN(C(C)=O)CC2)CCOC1 ZINC001502685050 1068355195 /nfs/dbraw/zinc/35/51/95/1068355195.db2.gz PNHYSXWKDCCGBM-HSZRJFAPSA-N 1 2 493.609 -0.435 20 0 JBADLO CCO[C@@]1(c2nnc(N3CCC(OCC(N)=O)CC3)n2CC[NH+]2CCN(C(C)=O)CC2)CCOC1 ZINC001502685051 1068355380 /nfs/dbraw/zinc/35/53/80/1068355380.db2.gz PNHYSXWKDCCGBM-QHCPKHFHSA-N 1 2 493.609 -0.435 20 0 JBADLO CCO[C@@]1(c2nnc(N3CCC[C@H](C(N)=O)C3)n2CC[NH+]2CCN(C(C)=O)CC2)CCOC1 ZINC001502688999 1068355837 /nfs/dbraw/zinc/35/58/37/1068355837.db2.gz UGDDMCNELFTOEX-AVRDEDQJSA-N 1 2 463.583 -0.204 20 0 JBADLO CCO[C@@]1(c2nnc(N3CCC[C@@H](C(N)=O)C3)n2CC[NH+]2CCN(C(C)=O)CC2)CCOC1 ZINC001502689000 1068355981 /nfs/dbraw/zinc/35/59/81/1068355981.db2.gz UGDDMCNELFTOEX-GCJKJVERSA-N 1 2 463.583 -0.204 20 0 JBADLO CCO[C@]1(c2nnc(N3CCC[C@H](C(N)=O)C3)n2CC[NH+]2CCN(C(C)=O)CC2)CCOC1 ZINC001502689001 1068356250 /nfs/dbraw/zinc/35/62/50/1068356250.db2.gz UGDDMCNELFTOEX-PGRDOPGGSA-N 1 2 463.583 -0.204 20 0 JBADLO CCO[C@]1(c2nnc(N3CCC[C@@H](C(N)=O)C3)n2CC[NH+]2CCN(C(C)=O)CC2)CCOC1 ZINC001502689002 1068356141 /nfs/dbraw/zinc/35/61/41/1068356141.db2.gz UGDDMCNELFTOEX-XMSQKQJNSA-N 1 2 463.583 -0.204 20 0 JBADLO CCO[C@]1(c2nnc(N3CCN(S(C)(=O)=O)CC3)n2CC[N@H+]2CCOC[C@@H]2C)CCOC1 ZINC001502726445 1068360669 /nfs/dbraw/zinc/36/06/69/1068360669.db2.gz VYJZBVBLDVORCU-FXAWDEMLSA-N 1 2 472.612 -0.268 20 0 JBADLO CCO[C@]1(c2nnc(N3CCN(S(C)(=O)=O)CC3)n2CC[N@@H+]2CCOC[C@@H]2C)CCOC1 ZINC001502726445 1068360645 /nfs/dbraw/zinc/36/06/45/1068360645.db2.gz VYJZBVBLDVORCU-FXAWDEMLSA-N 1 2 472.612 -0.268 20 0 JBADLO CCO[C@@]1(c2nnc(N3CCN(S(C)(=O)=O)CC3)n2CC[N@H+]2CCOC[C@@H]2C)CCOC1 ZINC001502726446 1068360511 /nfs/dbraw/zinc/36/05/11/1068360511.db2.gz VYJZBVBLDVORCU-PXNSSMCTSA-N 1 2 472.612 -0.268 20 0 JBADLO CCO[C@@]1(c2nnc(N3CCN(S(C)(=O)=O)CC3)n2CC[N@@H+]2CCOC[C@@H]2C)CCOC1 ZINC001502726446 1068360496 /nfs/dbraw/zinc/36/04/96/1068360496.db2.gz VYJZBVBLDVORCU-PXNSSMCTSA-N 1 2 472.612 -0.268 20 0 JBADLO CCO[C@@]1(c2nnc(N3CCN(S(C)(=O)=O)CC3)n2CC[N@H+]2CCOC[C@H]2C)CCOC1 ZINC001502726447 1068360330 /nfs/dbraw/zinc/36/03/30/1068360330.db2.gz VYJZBVBLDVORCU-XLIONFOSSA-N 1 2 472.612 -0.268 20 0 JBADLO CCO[C@@]1(c2nnc(N3CCN(S(C)(=O)=O)CC3)n2CC[N@@H+]2CCOC[C@H]2C)CCOC1 ZINC001502726447 1068360320 /nfs/dbraw/zinc/36/03/20/1068360320.db2.gz VYJZBVBLDVORCU-XLIONFOSSA-N 1 2 472.612 -0.268 20 0 JBADLO CCO[C@]1(c2nnc(N3CCN(S(C)(=O)=O)CC3)n2CC[N@H+]2CCOC[C@H]2C)CCOC1 ZINC001502726448 1068360935 /nfs/dbraw/zinc/36/09/35/1068360935.db2.gz VYJZBVBLDVORCU-YLJYHZDGSA-N 1 2 472.612 -0.268 20 0 JBADLO CCO[C@]1(c2nnc(N3CCN(S(C)(=O)=O)CC3)n2CC[N@@H+]2CCOC[C@H]2C)CCOC1 ZINC001502726448 1068360922 /nfs/dbraw/zinc/36/09/22/1068360922.db2.gz VYJZBVBLDVORCU-YLJYHZDGSA-N 1 2 472.612 -0.268 20 0 JBADLO CCOCc1nnc(N2CCC[C@H](CNS(C)(=O)=O)C2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001503077551 1068364098 /nfs/dbraw/zinc/36/40/98/1068364098.db2.gz MWPGNFLVZGDUDO-GOSISDBHSA-N 1 2 471.628 -0.256 20 0 JBADLO CCOCc1nnc(N2CCC[C@@H](CNS(C)(=O)=O)C2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001503077552 1068363888 /nfs/dbraw/zinc/36/38/88/1068363888.db2.gz MWPGNFLVZGDUDO-SFHVURJKSA-N 1 2 471.628 -0.256 20 0 JBADLO CCOCc1nnc(N2CCN(C(=O)C(=O)N3CCCC3)CC2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001503097949 1068364899 /nfs/dbraw/zinc/36/48/99/1068364899.db2.gz FODBACISWCDDJU-UHFFFAOYSA-N 1 2 490.609 -0.750 20 0 JBADLO CCOCc1nnc(N2CCN(C(=O)C(=O)NC3CC3)CC2)n1CC[N@H+]1CCN(C)C(C)(C)C1 ZINC001503099627 1068365708 /nfs/dbraw/zinc/36/57/08/1068365708.db2.gz RAYUXBFAKQGHQI-UHFFFAOYSA-N 1 2 476.626 -0.232 20 0 JBADLO CCOCc1nnc(N2CCN(C(=O)C(=O)NC3CC3)CC2)n1CC[N@@H+]1CCN(C)C(C)(C)C1 ZINC001503099627 1068365692 /nfs/dbraw/zinc/36/56/92/1068365692.db2.gz RAYUXBFAKQGHQI-UHFFFAOYSA-N 1 2 476.626 -0.232 20 0 JBADLO CCOCc1nnc(N2CCN(C(=O)[C@@H]3CCCO3)CC2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001503099774 1068365453 /nfs/dbraw/zinc/36/54/53/1068365453.db2.gz PZVYKNDBAMJYBA-IBGZPJMESA-N 1 2 463.583 -0.194 20 0 JBADLO CCOCc1nnc(N2CCN(C(=O)[C@H]3CCCO3)CC2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001503099775 1068365570 /nfs/dbraw/zinc/36/55/70/1068365570.db2.gz PZVYKNDBAMJYBA-LJQANCHMSA-N 1 2 463.583 -0.194 20 0 JBADLO CCOCc1nnc(N2CCN(c3ncccc3C(N)=O)CC2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001503108845 1068366018 /nfs/dbraw/zinc/36/60/18/1068366018.db2.gz MUCGCTKNVZERRJ-UHFFFAOYSA-N 1 2 485.593 -0.201 20 0 JBADLO CCOCC[N@H+]1CCN(c2nnc(CN3CCCC3=O)n2C[C@@]2(O)CCS(=O)(=O)C2)C[C@@H]1CC ZINC001503221488 1068369198 /nfs/dbraw/zinc/36/91/98/1068369198.db2.gz BDOKWQUCCQPXIX-AVRDEDQJSA-N 1 2 498.650 -0.113 20 0 JBADLO CCOCC[N@@H+]1CCN(c2nnc(CN3CCCC3=O)n2C[C@@]2(O)CCS(=O)(=O)C2)C[C@@H]1CC ZINC001503221488 1068369178 /nfs/dbraw/zinc/36/91/78/1068369178.db2.gz BDOKWQUCCQPXIX-AVRDEDQJSA-N 1 2 498.650 -0.113 20 0 JBADLO CCOCC[N@H+]1CCN(c2nnc(CN3CCCC3=O)n2C[C@@]2(O)CCS(=O)(=O)C2)C[C@H]1CC ZINC001503221490 1068368903 /nfs/dbraw/zinc/36/89/03/1068368903.db2.gz BDOKWQUCCQPXIX-GCJKJVERSA-N 1 2 498.650 -0.113 20 0 JBADLO CCOCC[N@@H+]1CCN(c2nnc(CN3CCCC3=O)n2C[C@@]2(O)CCS(=O)(=O)C2)C[C@H]1CC ZINC001503221490 1068368892 /nfs/dbraw/zinc/36/88/92/1068368892.db2.gz BDOKWQUCCQPXIX-GCJKJVERSA-N 1 2 498.650 -0.113 20 0 JBADLO CCOCC[N@H+]1CCN(c2nnc(CN3CCCC3=O)n2C[C@]2(O)CCS(=O)(=O)C2)C[C@@H]1CC ZINC001503221492 1068369410 /nfs/dbraw/zinc/36/94/10/1068369410.db2.gz BDOKWQUCCQPXIX-PGRDOPGGSA-N 1 2 498.650 -0.113 20 0 JBADLO CCOCC[N@@H+]1CCN(c2nnc(CN3CCCC3=O)n2C[C@]2(O)CCS(=O)(=O)C2)C[C@@H]1CC ZINC001503221492 1068369397 /nfs/dbraw/zinc/36/93/97/1068369397.db2.gz BDOKWQUCCQPXIX-PGRDOPGGSA-N 1 2 498.650 -0.113 20 0 JBADLO CCOCC[N@H+]1CCN(c2nnc(CN3CCCC3=O)n2C[C@]2(O)CCS(=O)(=O)C2)C[C@H]1CC ZINC001503221494 1068369099 /nfs/dbraw/zinc/36/90/99/1068369099.db2.gz BDOKWQUCCQPXIX-XMSQKQJNSA-N 1 2 498.650 -0.113 20 0 JBADLO CCOCC[N@@H+]1CCN(c2nnc(CN3CCCC3=O)n2C[C@]2(O)CCS(=O)(=O)C2)C[C@H]1CC ZINC001503221494 1068369093 /nfs/dbraw/zinc/36/90/93/1068369093.db2.gz BDOKWQUCCQPXIX-XMSQKQJNSA-N 1 2 498.650 -0.113 20 0 JBADLO CCS(=O)(=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[NH+](CC2CC2)CC1 ZINC001503261368 1068373616 /nfs/dbraw/zinc/37/36/16/1068373616.db2.gz VJXVRQHCHWHKCV-KRWDZBQOSA-N 1 2 490.652 -0.422 20 0 JBADLO CCS(=O)(=O)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[NH+](CC2CC2)CC1 ZINC001503261369 1068373713 /nfs/dbraw/zinc/37/37/13/1068373713.db2.gz VJXVRQHCHWHKCV-QGZVFWFLSA-N 1 2 490.652 -0.422 20 0 JBADLO CCS(=O)(=O)NCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001503284222 1068379527 /nfs/dbraw/zinc/37/95/27/1068379527.db2.gz GEFZQOFNXDQCHQ-INIZCTEOSA-N 1 2 490.652 -0.580 20 0 JBADLO CCS(=O)(=O)NCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001503284223 1068379836 /nfs/dbraw/zinc/37/98/36/1068379836.db2.gz GEFZQOFNXDQCHQ-MRXNPFEDSA-N 1 2 490.652 -0.580 20 0 JBADLO CC[S@](=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC001503288522 1068381491 /nfs/dbraw/zinc/38/14/91/1068381491.db2.gz KLPHJKWBPIDVIF-AJXXGZDZSA-N 1 2 462.642 -0.185 20 0 JBADLO CC[S@](=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC001503288524 1068381234 /nfs/dbraw/zinc/38/12/34/1068381234.db2.gz KLPHJKWBPIDVIF-DUOAEJKSSA-N 1 2 462.642 -0.185 20 0 JBADLO CC[S@](=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC001503288526 1068381352 /nfs/dbraw/zinc/38/13/52/1068381352.db2.gz KLPHJKWBPIDVIF-LXLLPEIISA-N 1 2 462.642 -0.185 20 0 JBADLO CC[S@](=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC001503288528 1068381458 /nfs/dbraw/zinc/38/14/58/1068381458.db2.gz KLPHJKWBPIDVIF-YPOBSOSXSA-N 1 2 462.642 -0.185 20 0 JBADLO C[NH+](C)C1(Cn2c([C@H]3CCS(=O)(=O)C3)nnc2N2CCS(=O)(=O)CC2)CCOCC1 ZINC001503386965 1068388540 /nfs/dbraw/zinc/38/85/40/1068388540.db2.gz NISZFTFDMPBNHH-HNNXBMFYSA-N 1 2 461.610 -0.474 20 0 JBADLO C[NH+](C)C1(Cn2c([C@@H]3CCS(=O)(=O)C3)nnc2N2CCS(=O)(=O)CC2)CCOCC1 ZINC001503386972 1068388706 /nfs/dbraw/zinc/38/87/06/1068388706.db2.gz NISZFTFDMPBNHH-OAHLLOKOSA-N 1 2 461.610 -0.474 20 0 JBADLO CN(C)c1ccc(Cn2c(CN3CCCC3=O)nnc2N(C)CCNS(C)(=O)=O)c[nH+]1 ZINC001503393918 1068389144 /nfs/dbraw/zinc/38/91/44/1068389144.db2.gz PRTDTAWWDDHDJP-UHFFFAOYSA-N 1 2 450.569 -0.105 20 0 JBADLO CN(C)S(=O)(=O)CCn1c(-c2ccccn2)nnc1N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC001503406200 1068390747 /nfs/dbraw/zinc/39/07/47/1068390747.db2.gz FAUPHTCOEBKTJH-UHFFFAOYSA-N 1 2 476.607 -0.024 20 0 JBADLO CN(C)S(=O)(=O)CCn1c(-c2cnn(C)c2)nnc1N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC001503406259 1068390616 /nfs/dbraw/zinc/39/06/16/1068390616.db2.gz HCNYACHQZMCDJJ-UHFFFAOYSA-N 1 2 479.611 -0.686 20 0 JBADLO CN(CCCS(C)(=O)=O)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[N@@H+]1CC=CCC1 ZINC001503602551 1068399246 /nfs/dbraw/zinc/39/92/46/1068399246.db2.gz DXNZETAAKCLSSJ-KRWDZBQOSA-N 1 2 490.652 -0.256 20 0 JBADLO CN(CCCS(C)(=O)=O)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[N@H+]1CC=CCC1 ZINC001503602551 1068399229 /nfs/dbraw/zinc/39/92/29/1068399229.db2.gz DXNZETAAKCLSSJ-KRWDZBQOSA-N 1 2 490.652 -0.256 20 0 JBADLO CN(CCCS(C)(=O)=O)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[N@@H+]1CC=CCC1 ZINC001503602558 1068399378 /nfs/dbraw/zinc/39/93/78/1068399378.db2.gz DXNZETAAKCLSSJ-QGZVFWFLSA-N 1 2 490.652 -0.256 20 0 JBADLO CN(CCCS(C)(=O)=O)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[N@H+]1CC=CCC1 ZINC001503602558 1068399359 /nfs/dbraw/zinc/39/93/59/1068399359.db2.gz DXNZETAAKCLSSJ-QGZVFWFLSA-N 1 2 490.652 -0.256 20 0 JBADLO CN(CC[NH+]1CCOCC1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCOC1 ZINC001503619331 1068400720 /nfs/dbraw/zinc/40/07/20/1068400720.db2.gz PPSKVIDBYMAYSA-MSOLQXFVSA-N 1 2 472.612 -0.194 20 0 JBADLO CN(CC[NH+]1CCOCC1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCOC1 ZINC001503619615 1068400730 /nfs/dbraw/zinc/40/07/30/1068400730.db2.gz PPSKVIDBYMAYSA-QZTJIDSGSA-N 1 2 472.612 -0.194 20 0 JBADLO CN(CC[NH+]1CCOCC1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCOC1 ZINC001503619616 1068401456 /nfs/dbraw/zinc/40/14/56/1068401456.db2.gz PPSKVIDBYMAYSA-ROUUACIJSA-N 1 2 472.612 -0.194 20 0 JBADLO CN(CC[NH+]1CCOCC1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCOC1 ZINC001503619617 1068401331 /nfs/dbraw/zinc/40/13/31/1068401331.db2.gz PPSKVIDBYMAYSA-ZWKOTPCHSA-N 1 2 472.612 -0.194 20 0 JBADLO CN(CCNS(C)(=O)=O)c1nnc(CN2CCCC2=O)n1Cc1ccc[nH+]c1N1CCOCC1 ZINC001503625043 1068401968 /nfs/dbraw/zinc/40/19/68/1068401968.db2.gz LSSXGGYIYFJEKM-UHFFFAOYSA-N 1 2 492.606 -0.334 20 0 JBADLO CN(CCS(C)(=O)=O)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC1([NH+](C)C)CCOCC1 ZINC001503637037 1068402908 /nfs/dbraw/zinc/40/29/08/1068402908.db2.gz DDJHESJVRAPAGQ-HNNXBMFYSA-N 1 2 463.626 -0.228 20 0 JBADLO CN(CCS(C)(=O)=O)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC1([NH+](C)C)CCOCC1 ZINC001503637038 1068402969 /nfs/dbraw/zinc/40/29/69/1068402969.db2.gz DDJHESJVRAPAGQ-OAHLLOKOSA-N 1 2 463.626 -0.228 20 0 JBADLO CNC(=O)[C@@H]1CCCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@H+]2CCOC[C@@H]2C)C1 ZINC001503752286 1068418633 /nfs/dbraw/zinc/41/86/33/1068418633.db2.gz BZCRLLNLNNYTQP-KSZLIROESA-N 1 2 499.638 -0.706 20 0 JBADLO CNC(=O)[C@@H]1CCCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@@H+]2CCOC[C@@H]2C)C1 ZINC001503752286 1068418626 /nfs/dbraw/zinc/41/86/26/1068418626.db2.gz BZCRLLNLNNYTQP-KSZLIROESA-N 1 2 499.638 -0.706 20 0 JBADLO CNC(=O)[C@@H]1CCCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@H+]2CCOC[C@H]2C)C1 ZINC001503752288 1068418533 /nfs/dbraw/zinc/41/85/33/1068418533.db2.gz BZCRLLNLNNYTQP-KURKYZTESA-N 1 2 499.638 -0.706 20 0 JBADLO CNC(=O)[C@@H]1CCCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@@H+]2CCOC[C@H]2C)C1 ZINC001503752288 1068418527 /nfs/dbraw/zinc/41/85/27/1068418527.db2.gz BZCRLLNLNNYTQP-KURKYZTESA-N 1 2 499.638 -0.706 20 0 JBADLO CNC(=O)[C@@H]1CCCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@H+]2CCOC[C@H]2C)C1 ZINC001503752290 1068419201 /nfs/dbraw/zinc/41/92/01/1068419201.db2.gz BZCRLLNLNNYTQP-KZNAEPCWSA-N 1 2 499.638 -0.706 20 0 JBADLO CNC(=O)[C@@H]1CCCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@@H+]2CCOC[C@H]2C)C1 ZINC001503752290 1068419195 /nfs/dbraw/zinc/41/91/95/1068419195.db2.gz BZCRLLNLNNYTQP-KZNAEPCWSA-N 1 2 499.638 -0.706 20 0 JBADLO CNC(=O)[C@@H]1CCCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@H+]2CCOC[C@@H]2C)C1 ZINC001503752292 1068419333 /nfs/dbraw/zinc/41/93/33/1068419333.db2.gz BZCRLLNLNNYTQP-RCCFBDPRSA-N 1 2 499.638 -0.706 20 0 JBADLO CNC(=O)[C@@H]1CCCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@@H+]2CCOC[C@@H]2C)C1 ZINC001503752292 1068419327 /nfs/dbraw/zinc/41/93/27/1068419327.db2.gz BZCRLLNLNNYTQP-RCCFBDPRSA-N 1 2 499.638 -0.706 20 0 JBADLO CNC(=O)[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C(C)C)[NH+]2CCOCC2)CCO1 ZINC001503769897 1068421258 /nfs/dbraw/zinc/42/12/58/1068421258.db2.gz SCGBDKRKRNQINV-MSOLQXFVSA-N 1 2 463.583 -0.178 20 0 JBADLO CNC(=O)[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2C[C@H](C(C)C)[NH+]2CCOCC2)CCO1 ZINC001503769900 1068422066 /nfs/dbraw/zinc/42/20/66/1068422066.db2.gz SCGBDKRKRNQINV-QZTJIDSGSA-N 1 2 463.583 -0.178 20 0 JBADLO CNC(=O)[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)CCO1 ZINC001503769901 1068422129 /nfs/dbraw/zinc/42/21/29/1068422129.db2.gz SCGBDKRKRNQINV-ROUUACIJSA-N 1 2 463.583 -0.178 20 0 JBADLO CNC(=O)[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2C[C@@H](C(C)C)[NH+]2CCOCC2)CCO1 ZINC001503769902 1068422088 /nfs/dbraw/zinc/42/20/88/1068422088.db2.gz SCGBDKRKRNQINV-ZWKOTPCHSA-N 1 2 463.583 -0.178 20 0 JBADLO CNC(=O)[C@@H]1CN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC[N@H+]2CCOC[C@H]2C)CCO1 ZINC001503773418 1068422920 /nfs/dbraw/zinc/42/29/20/1068422920.db2.gz TUMKXCZKQFTAID-FGSXEWAUSA-N 1 2 466.583 -0.009 20 0 JBADLO CNC(=O)[C@@H]1CN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC[N@@H+]2CCOC[C@H]2C)CCO1 ZINC001503773418 1068422917 /nfs/dbraw/zinc/42/29/17/1068422917.db2.gz TUMKXCZKQFTAID-FGSXEWAUSA-N 1 2 466.583 -0.009 20 0 JBADLO CNC(=O)[C@@H]1CN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC[N@H+]2CCOC[C@H]2C)CCO1 ZINC001503773419 1068422780 /nfs/dbraw/zinc/42/27/80/1068422780.db2.gz TUMKXCZKQFTAID-KGVIQGDOSA-N 1 2 466.583 -0.009 20 0 JBADLO CNC(=O)[C@@H]1CN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC[N@@H+]2CCOC[C@H]2C)CCO1 ZINC001503773419 1068422776 /nfs/dbraw/zinc/42/27/76/1068422776.db2.gz TUMKXCZKQFTAID-KGVIQGDOSA-N 1 2 466.583 -0.009 20 0 JBADLO CNC(=O)[C@@H]1CN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC[N@H+]2CCOC[C@@H]2C)CCO1 ZINC001503773420 1068422905 /nfs/dbraw/zinc/42/29/05/1068422905.db2.gz TUMKXCZKQFTAID-NPPFBWRTSA-N 1 2 466.583 -0.009 20 0 JBADLO CNC(=O)[C@@H]1CN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC[N@@H+]2CCOC[C@@H]2C)CCO1 ZINC001503773420 1068422902 /nfs/dbraw/zinc/42/29/02/1068422902.db2.gz TUMKXCZKQFTAID-NPPFBWRTSA-N 1 2 466.583 -0.009 20 0 JBADLO CNC(=O)[C@@H]1CN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC[N@H+]2CCOC[C@@H]2C)CCO1 ZINC001503773421 1068422764 /nfs/dbraw/zinc/42/27/64/1068422764.db2.gz TUMKXCZKQFTAID-SPEDKVCISA-N 1 2 466.583 -0.009 20 0 JBADLO CNC(=O)[C@@H]1CN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC[N@@H+]2CCOC[C@@H]2C)CCO1 ZINC001503773421 1068422760 /nfs/dbraw/zinc/42/27/60/1068422760.db2.gz TUMKXCZKQFTAID-SPEDKVCISA-N 1 2 466.583 -0.009 20 0 JBADLO CNC(=O)[C@@H]1CN(c2nnc(Cc3cccnc3)n2CC[NH+]2CCN(C(C)=O)CC2)CCO1 ZINC001503778317 1068425661 /nfs/dbraw/zinc/42/56/61/1068425661.db2.gz RIYGBIUMHBRYQI-IBGZPJMESA-N 1 2 456.551 -0.621 20 0 JBADLO CNC(=O)[C@H]1CN(c2nnc(Cc3cccnc3)n2CC[NH+]2CCN(C(C)=O)CC2)CCO1 ZINC001503778320 1068426476 /nfs/dbraw/zinc/42/64/76/1068426476.db2.gz RIYGBIUMHBRYQI-LJQANCHMSA-N 1 2 456.551 -0.621 20 0 JBADLO CNC(=O)[C@@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H]2CCCn3cc(C)[nH+]c32)CCO1 ZINC001503778820 1068426415 /nfs/dbraw/zinc/42/64/15/1068426415.db2.gz VOUNGPCNSCLHOI-JYJNAYRXSA-N 1 2 480.595 -0.078 20 0 JBADLO CNC(=O)[C@@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H]2CCCn3cc(C)[nH+]c32)CCO1 ZINC001503778825 1068426305 /nfs/dbraw/zinc/42/63/05/1068426305.db2.gz VOUNGPCNSCLHOI-OAGGEKHMSA-N 1 2 480.595 -0.078 20 0 JBADLO CNC(=O)[C@@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H]2CCCn3cc(C)[nH+]c32)CCO1 ZINC001503778828 1068426365 /nfs/dbraw/zinc/42/63/65/1068426365.db2.gz VOUNGPCNSCLHOI-PMPSAXMXSA-N 1 2 480.595 -0.078 20 0 JBADLO CNC(=O)[C@@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H]2CCCn3cc(C)[nH+]c32)CCO1 ZINC001503778833 1068426444 /nfs/dbraw/zinc/42/64/44/1068426444.db2.gz VOUNGPCNSCLHOI-XHSDSOJGSA-N 1 2 480.595 -0.078 20 0 JBADLO CNC(=O)[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CC[N@H+]2CCOCC2(C)C)CCO1 ZINC001503779394 1068426987 /nfs/dbraw/zinc/42/69/87/1068426987.db2.gz XBROFBMSCIVCBN-INIZCTEOSA-N 1 2 472.550 -0.013 20 0 JBADLO CNC(=O)[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CC[N@@H+]2CCOCC2(C)C)CCO1 ZINC001503779394 1068426977 /nfs/dbraw/zinc/42/69/77/1068426977.db2.gz XBROFBMSCIVCBN-INIZCTEOSA-N 1 2 472.550 -0.013 20 0 JBADLO CNC(=O)[C@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CC[N@H+]2CCOCC2(C)C)CCO1 ZINC001503779395 1068427140 /nfs/dbraw/zinc/42/71/40/1068427140.db2.gz XBROFBMSCIVCBN-MRXNPFEDSA-N 1 2 472.550 -0.013 20 0 JBADLO CNC(=O)[C@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CC[N@@H+]2CCOCC2(C)C)CCO1 ZINC001503779395 1068427130 /nfs/dbraw/zinc/42/71/30/1068427130.db2.gz XBROFBMSCIVCBN-MRXNPFEDSA-N 1 2 472.550 -0.013 20 0 JBADLO CNC(=O)[C@@H]1CN(c2nnc([C@H]3OCC[C@H]3COC)n2CC[NH+]2CCN(C(C)=O)CC2)CCO1 ZINC001503782833 1068429514 /nfs/dbraw/zinc/42/95/14/1068429514.db2.gz FZOUKEQHEUTQJF-FHWLQOOXSA-N 1 2 479.582 -0.883 20 0 JBADLO CNC(=O)[C@H]1CN(c2nnc([C@H]3OCC[C@H]3COC)n2CC[NH+]2CCN(C(C)=O)CC2)CCO1 ZINC001503782835 1068429282 /nfs/dbraw/zinc/42/92/82/1068429282.db2.gz FZOUKEQHEUTQJF-OTWHNJEPSA-N 1 2 479.582 -0.883 20 0 JBADLO CNC(=O)CCCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001503798193 1068431150 /nfs/dbraw/zinc/43/11/50/1068431150.db2.gz ZTPNGAWHLOJJOZ-DLBZAZTESA-N 1 2 487.627 -0.706 20 0 JBADLO CNC(=O)CCCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001503798193 1068431147 /nfs/dbraw/zinc/43/11/47/1068431147.db2.gz ZTPNGAWHLOJJOZ-DLBZAZTESA-N 1 2 487.627 -0.706 20 0 JBADLO CNC(=O)CCCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[N@H+]1CCOC[C@H]1C ZINC001503798194 1068431168 /nfs/dbraw/zinc/43/11/68/1068431168.db2.gz ZTPNGAWHLOJJOZ-IAGOWNOFSA-N 1 2 487.627 -0.706 20 0 JBADLO CNC(=O)CCCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001503798194 1068431166 /nfs/dbraw/zinc/43/11/66/1068431166.db2.gz ZTPNGAWHLOJJOZ-IAGOWNOFSA-N 1 2 487.627 -0.706 20 0 JBADLO CNC(=O)CCCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001503798195 1068431078 /nfs/dbraw/zinc/43/10/78/1068431078.db2.gz ZTPNGAWHLOJJOZ-IRXDYDNUSA-N 1 2 487.627 -0.706 20 0 JBADLO CNC(=O)CCCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001503798195 1068431075 /nfs/dbraw/zinc/43/10/75/1068431075.db2.gz ZTPNGAWHLOJJOZ-IRXDYDNUSA-N 1 2 487.627 -0.706 20 0 JBADLO CNC(=O)CCCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[N@H+]1CCOC[C@H]1C ZINC001503798196 1068431020 /nfs/dbraw/zinc/43/10/20/1068431020.db2.gz ZTPNGAWHLOJJOZ-SJORKVTESA-N 1 2 487.627 -0.706 20 0 JBADLO CNC(=O)CCCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001503798196 1068431012 /nfs/dbraw/zinc/43/10/12/1068431012.db2.gz ZTPNGAWHLOJJOZ-SJORKVTESA-N 1 2 487.627 -0.706 20 0 JBADLO CNC(=O)CCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1([NH+]2CCOCC2)CC1 ZINC001503804825 1068431765 /nfs/dbraw/zinc/43/17/65/1068431765.db2.gz GHACAAZERTTZOP-INIZCTEOSA-N 1 2 485.611 -0.952 20 0 JBADLO CNC(=O)CCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1([NH+]2CCOCC2)CC1 ZINC001503804826 1068431823 /nfs/dbraw/zinc/43/18/23/1068431823.db2.gz GHACAAZERTTZOP-MRXNPFEDSA-N 1 2 485.611 -0.952 20 0 JBADLO CNC(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC001503808700 1068432519 /nfs/dbraw/zinc/43/25/19/1068432519.db2.gz HTOHARSUXVEUMZ-AWEZNQCLSA-N 1 2 454.557 -0.357 20 0 JBADLO CNC(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[NH+](Cc2cc(C)no2)CC1 ZINC001503808701 1068432382 /nfs/dbraw/zinc/43/23/82/1068432382.db2.gz HTOHARSUXVEUMZ-CQSZACIVSA-N 1 2 454.557 -0.357 20 0 JBADLO CNC(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[NH+](C[C@@H]2CN(C(C)C)CCO2)CC1 ZINC001503815257 1068433958 /nfs/dbraw/zinc/43/39/58/1068433958.db2.gz LWVBENDWQAFWPE-MSOLQXFVSA-N 1 2 462.599 -0.404 20 0 JBADLO CNC(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[NH+](C[C@@H]2CN(C(C)C)CCO2)CC1 ZINC001503815258 1068434086 /nfs/dbraw/zinc/43/40/86/1068434086.db2.gz LWVBENDWQAFWPE-QZTJIDSGSA-N 1 2 462.599 -0.404 20 0 JBADLO CNC(=O)CCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[NH+](C[C@H]2CN(C(C)C)CCO2)CC1 ZINC001503815259 1068433808 /nfs/dbraw/zinc/43/38/08/1068433808.db2.gz LWVBENDWQAFWPE-ROUUACIJSA-N 1 2 462.599 -0.404 20 0 JBADLO CNC(=O)CCn1c([C@H]2CCC(=O)N2)nnc1N1CC[NH+](C[C@H]2CN(C(C)C)CCO2)CC1 ZINC001503815260 1068434045 /nfs/dbraw/zinc/43/40/45/1068434045.db2.gz LWVBENDWQAFWPE-ZWKOTPCHSA-N 1 2 462.599 -0.404 20 0 JBADLO CNC(=O)N1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[N@H+]2CCOC[C@H]2C)CC1 ZINC001503823497 1068436256 /nfs/dbraw/zinc/43/62/56/1068436256.db2.gz WLZJHGDWTFIXIZ-CABCVRRESA-N 1 2 458.589 -0.930 20 0 JBADLO CNC(=O)N1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[N@@H+]2CCOC[C@H]2C)CC1 ZINC001503823497 1068436252 /nfs/dbraw/zinc/43/62/52/1068436252.db2.gz WLZJHGDWTFIXIZ-CABCVRRESA-N 1 2 458.589 -0.930 20 0 JBADLO CNC(=O)N1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[N@H+]2CCOC[C@@H]2C)CC1 ZINC001503823500 1068436161 /nfs/dbraw/zinc/43/61/61/1068436161.db2.gz WLZJHGDWTFIXIZ-GJZGRUSLSA-N 1 2 458.589 -0.930 20 0 JBADLO CNC(=O)N1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC001503823500 1068436155 /nfs/dbraw/zinc/43/61/55/1068436155.db2.gz WLZJHGDWTFIXIZ-GJZGRUSLSA-N 1 2 458.589 -0.930 20 0 JBADLO CNC(=O)N1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[N@H+]2CCOC[C@H]2C)CC1 ZINC001503823502 1068436953 /nfs/dbraw/zinc/43/69/53/1068436953.db2.gz WLZJHGDWTFIXIZ-HUUCEWRRSA-N 1 2 458.589 -0.930 20 0 JBADLO CNC(=O)N1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[N@@H+]2CCOC[C@H]2C)CC1 ZINC001503823502 1068436946 /nfs/dbraw/zinc/43/69/46/1068436946.db2.gz WLZJHGDWTFIXIZ-HUUCEWRRSA-N 1 2 458.589 -0.930 20 0 JBADLO CNC(=O)N1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[N@H+]2CCOC[C@@H]2C)CC1 ZINC001503823504 1068436854 /nfs/dbraw/zinc/43/68/54/1068436854.db2.gz WLZJHGDWTFIXIZ-LSDHHAIUSA-N 1 2 458.589 -0.930 20 0 JBADLO CNC(=O)N1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC001503823504 1068436850 /nfs/dbraw/zinc/43/68/50/1068436850.db2.gz WLZJHGDWTFIXIZ-LSDHHAIUSA-N 1 2 458.589 -0.930 20 0 JBADLO COC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[NH+]2CCN(C(C)=O)CC2)CC1 ZINC001503855383 1068448140 /nfs/dbraw/zinc/44/81/40/1068448140.db2.gz CIPWBNHEHYGNIM-HNNXBMFYSA-N 1 2 485.611 -0.558 20 0 JBADLO COC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[NH+]2CCN(C(C)=O)CC2)CC1 ZINC001503855388 1068448260 /nfs/dbraw/zinc/44/82/60/1068448260.db2.gz CIPWBNHEHYGNIM-OAHLLOKOSA-N 1 2 485.611 -0.558 20 0 JBADLO COC(=O)C1CCN(c2nnc(CN3CCCC3=O)n2CC[NH+]2CCN(C(C)=O)CC2)CC1 ZINC001503876853 1068449885 /nfs/dbraw/zinc/44/98/85/1068449885.db2.gz WQOOUDWMGBPRCB-UHFFFAOYSA-N 1 2 461.567 -0.046 20 0 JBADLO COC(=O)C[C@@H]1CN(c2nnc(Cc3ccncc3)n2CC[NH+]2CCN(C(C)=O)CC2)C[C@H]1O ZINC001503884356 1068450435 /nfs/dbraw/zinc/45/04/35/1068450435.db2.gz QJCXNHBFTIDNQD-WOJBJXKFSA-N 1 2 471.562 -0.212 20 0 JBADLO COC(=O)N1CCN(c2nnc(CN3CCCC3=O)n2CC[NH+]2CCN(C(C)=O)CC2)C[C@@H]1C ZINC001503911761 1068452807 /nfs/dbraw/zinc/45/28/07/1068452807.db2.gz KEYOZPVNXKQGEA-KRWDZBQOSA-N 1 2 476.582 -0.159 20 0 JBADLO COc1cc[nH+]cc1Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 ZINC001504457227 1068459527 /nfs/dbraw/zinc/45/95/27/1068459527.db2.gz JZWCKRJTYJIGME-INIZCTEOSA-N 1 2 470.534 -0.146 20 0 JBADLO COc1cc[nH+]cc1Cn1c([C@H]2CCC(=O)N2)nnc1N1CCN(C(=O)C(=O)NC(C)C)CC1 ZINC001504457228 1068459627 /nfs/dbraw/zinc/45/96/27/1068459627.db2.gz JZWCKRJTYJIGME-MRXNPFEDSA-N 1 2 470.534 -0.146 20 0 JBADLO COc1cc[nH+]cc1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C)C(=O)[C@H]1C ZINC001504460750 1068459371 /nfs/dbraw/zinc/45/93/71/1068459371.db2.gz VZTKYXHRVIJHDW-PBHICJAKSA-N 1 2 479.563 -0.270 20 0 JBADLO COc1cc[nH+]cc1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C)C(=O)[C@H]1C ZINC001504460751 1068460216 /nfs/dbraw/zinc/46/02/16/1068460216.db2.gz VZTKYXHRVIJHDW-RHSMWYFYSA-N 1 2 479.563 -0.270 20 0 JBADLO COc1cc[nH+]cc1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C)C(=O)[C@@H]1C ZINC001504460753 1068460342 /nfs/dbraw/zinc/46/03/42/1068460342.db2.gz VZTKYXHRVIJHDW-WMLDXEAASA-N 1 2 479.563 -0.270 20 0 JBADLO COc1cc[nH+]cc1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C)C(=O)[C@@H]1C ZINC001504460754 1068460379 /nfs/dbraw/zinc/46/03/79/1068460379.db2.gz VZTKYXHRVIJHDW-YOEHRIQHSA-N 1 2 479.563 -0.270 20 0 JBADLO COc1cc[nH+]cc1Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)N(C)C)CC1 ZINC001504461663 1068460185 /nfs/dbraw/zinc/46/01/85/1068460185.db2.gz YAOKJXLZFDECGT-INIZCTEOSA-N 1 2 477.591 -0.158 20 0 JBADLO COc1cc[nH+]cc1Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CCN(CC(=O)N(C)C)CC1 ZINC001504461667 1068460273 /nfs/dbraw/zinc/46/02/73/1068460273.db2.gz YAOKJXLZFDECGT-MRXNPFEDSA-N 1 2 477.591 -0.158 20 0 JBADLO COCC(=O)N1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2c[nH+]ccc2OC)CC1 ZINC001504526913 1068462424 /nfs/dbraw/zinc/46/24/24/1068462424.db2.gz GZIQLVNJVQCMAU-AWEZNQCLSA-N 1 2 467.552 -0.365 20 0 JBADLO COCC(=O)N1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2c[nH+]ccc2OC)CC1 ZINC001504526920 1068462511 /nfs/dbraw/zinc/46/25/11/1068462511.db2.gz GZIQLVNJVQCMAU-CQSZACIVSA-N 1 2 467.552 -0.365 20 0 JBADLO COCC(=O)N1CCN(c2nnc(C(=O)NC(C)C)n2CC[N@H+]2CCOC(C)(C)C2)CC1 ZINC001504526995 1068462591 /nfs/dbraw/zinc/46/25/91/1068462591.db2.gz IATUDYAWGGTFTF-UHFFFAOYSA-N 1 2 451.572 -0.178 20 0 JBADLO COCC(=O)N1CCN(c2nnc(C(=O)NC(C)C)n2CC[N@@H+]2CCOC(C)(C)C2)CC1 ZINC001504526995 1068462580 /nfs/dbraw/zinc/46/25/80/1068462580.db2.gz IATUDYAWGGTFTF-UHFFFAOYSA-N 1 2 451.572 -0.178 20 0 JBADLO COCC(=O)N1CCN(c2nnc([C@H]3CCCOC3)n2CC[NH+]2CCN(C(C)=O)CC2)CC1 ZINC001504535421 1068465910 /nfs/dbraw/zinc/46/59/10/1068465910.db2.gz QTBPGZGALADSLQ-IBGZPJMESA-N 1 2 463.583 -0.369 20 0 JBADLO COCC(=O)N1CCN(c2nnc([C@@H]3CCCOC3)n2CC[NH+]2CCN(C(C)=O)CC2)CC1 ZINC001504535424 1068465933 /nfs/dbraw/zinc/46/59/33/1068465933.db2.gz QTBPGZGALADSLQ-LJQANCHMSA-N 1 2 463.583 -0.369 20 0 JBADLO COC[C@@H](C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001504566387 1068468511 /nfs/dbraw/zinc/46/85/11/1068468511.db2.gz LAILEGWFTIFTAU-DLBZAZTESA-N 1 2 460.601 -0.338 20 0 JBADLO COC[C@H](C)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001504566389 1068468460 /nfs/dbraw/zinc/46/84/60/1068468460.db2.gz LAILEGWFTIFTAU-IAGOWNOFSA-N 1 2 460.601 -0.338 20 0 JBADLO COC[C@@H](C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001504566391 1068468626 /nfs/dbraw/zinc/46/86/26/1068468626.db2.gz LAILEGWFTIFTAU-IRXDYDNUSA-N 1 2 460.601 -0.338 20 0 JBADLO COC[C@H](C)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001504566393 1068468541 /nfs/dbraw/zinc/46/85/41/1068468541.db2.gz LAILEGWFTIFTAU-SJORKVTESA-N 1 2 460.601 -0.338 20 0 JBADLO COC[C@@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[NH+]2CCN(C(C)=O)CC2)C1 ZINC001504687794 1068473954 /nfs/dbraw/zinc/47/39/54/1068473954.db2.gz FKTFWAWMLUGRDD-DOTOQJQBSA-N 1 2 457.601 -0.475 20 0 JBADLO COC[C@@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[NH+]2CCN(C(C)=O)CC2)C1 ZINC001504687799 1068473969 /nfs/dbraw/zinc/47/39/69/1068473969.db2.gz FKTFWAWMLUGRDD-NVXWUHKLSA-N 1 2 457.601 -0.475 20 0 JBADLO COC[C@H]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[NH+]2CCN(C(C)=O)CC2)C1 ZINC001504687801 1068473913 /nfs/dbraw/zinc/47/39/13/1068473913.db2.gz FKTFWAWMLUGRDD-RDJZCZTQSA-N 1 2 457.601 -0.475 20 0 JBADLO COC[C@H]1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[NH+]2CCN(C(C)=O)CC2)C1 ZINC001504687803 1068473892 /nfs/dbraw/zinc/47/38/92/1068473892.db2.gz FKTFWAWMLUGRDD-WBVHZDCISA-N 1 2 457.601 -0.475 20 0 JBADLO COC[C@@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2([NH+]3CCOCC3)CC2)CCO1 ZINC001504717355 1068475244 /nfs/dbraw/zinc/47/52/44/1068475244.db2.gz XFNCEYSKFRPKGG-CVEARBPZSA-N 1 2 458.585 -0.395 20 0 JBADLO COC[C@@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2([NH+]3CCOCC3)CC2)CCO1 ZINC001504717356 1068475175 /nfs/dbraw/zinc/47/51/75/1068475175.db2.gz XFNCEYSKFRPKGG-HOTGVXAUSA-N 1 2 458.585 -0.395 20 0 JBADLO COC[C@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2([NH+]3CCOCC3)CC2)CCO1 ZINC001504717357 1068475088 /nfs/dbraw/zinc/47/50/88/1068475088.db2.gz XFNCEYSKFRPKGG-HZPDHXFCSA-N 1 2 458.585 -0.395 20 0 JBADLO COC[C@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2([NH+]3CCOCC3)CC2)CCO1 ZINC001504717358 1068475221 /nfs/dbraw/zinc/47/52/21/1068475221.db2.gz XFNCEYSKFRPKGG-JKSUJKDBSA-N 1 2 458.585 -0.395 20 0 JBADLO COCCCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001504813502 1068477636 /nfs/dbraw/zinc/47/76/36/1068477636.db2.gz MRMXHRTVFHGOGK-DLBZAZTESA-N 1 2 460.601 -0.196 20 0 JBADLO COCCCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001504813502 1068477632 /nfs/dbraw/zinc/47/76/32/1068477632.db2.gz MRMXHRTVFHGOGK-DLBZAZTESA-N 1 2 460.601 -0.196 20 0 JBADLO COCCCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[N@H+]1CCOC[C@H]1C ZINC001504813505 1068477679 /nfs/dbraw/zinc/47/76/79/1068477679.db2.gz MRMXHRTVFHGOGK-IAGOWNOFSA-N 1 2 460.601 -0.196 20 0 JBADLO COCCCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001504813505 1068477676 /nfs/dbraw/zinc/47/76/76/1068477676.db2.gz MRMXHRTVFHGOGK-IAGOWNOFSA-N 1 2 460.601 -0.196 20 0 JBADLO COCCCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001504813506 1068478426 /nfs/dbraw/zinc/47/84/26/1068478426.db2.gz MRMXHRTVFHGOGK-IRXDYDNUSA-N 1 2 460.601 -0.196 20 0 JBADLO COCCCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001504813506 1068478421 /nfs/dbraw/zinc/47/84/21/1068478421.db2.gz MRMXHRTVFHGOGK-IRXDYDNUSA-N 1 2 460.601 -0.196 20 0 JBADLO COCCCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[N@H+]1CCOC[C@H]1C ZINC001504813507 1068478244 /nfs/dbraw/zinc/47/82/44/1068478244.db2.gz MRMXHRTVFHGOGK-SJORKVTESA-N 1 2 460.601 -0.196 20 0 JBADLO COCCCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001504813507 1068478233 /nfs/dbraw/zinc/47/82/33/1068478233.db2.gz MRMXHRTVFHGOGK-SJORKVTESA-N 1 2 460.601 -0.196 20 0 JBADLO COCCN1CCN(c2nnc(C(=O)NC(C)C)n2CC(C)(C)[NH+]2CCOCC2)CC1=O ZINC001504903168 1068486221 /nfs/dbraw/zinc/48/62/21/1068486221.db2.gz IPUOTTAUQXGLKI-UHFFFAOYSA-N 1 2 451.572 -0.178 20 0 JBADLO COCC[N@H+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2([S@@](C)=O)CC2)C[C@@H]1C ZINC001504903701 1068487050 /nfs/dbraw/zinc/48/70/50/1068487050.db2.gz GUGIBONZMNOWOT-LBHNULEISA-N 1 2 462.642 -0.044 20 0 JBADLO COCC[N@@H+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2([S@@](C)=O)CC2)C[C@@H]1C ZINC001504903701 1068487040 /nfs/dbraw/zinc/48/70/40/1068487040.db2.gz GUGIBONZMNOWOT-LBHNULEISA-N 1 2 462.642 -0.044 20 0 JBADLO COCC[N@H+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2([S@@](C)=O)CC2)C[C@H]1C ZINC001504903709 1068487164 /nfs/dbraw/zinc/48/71/64/1068487164.db2.gz GUGIBONZMNOWOT-NXRFCRFCSA-N 1 2 462.642 -0.044 20 0 JBADLO COCC[N@@H+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2([S@@](C)=O)CC2)C[C@H]1C ZINC001504903709 1068487156 /nfs/dbraw/zinc/48/71/56/1068487156.db2.gz GUGIBONZMNOWOT-NXRFCRFCSA-N 1 2 462.642 -0.044 20 0 JBADLO COCC[N@H+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2([S@](C)=O)CC2)C[C@@H]1C ZINC001504903713 1068487330 /nfs/dbraw/zinc/48/73/30/1068487330.db2.gz GUGIBONZMNOWOT-VYMQAWTISA-N 1 2 462.642 -0.044 20 0 JBADLO COCC[N@@H+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2([S@](C)=O)CC2)C[C@@H]1C ZINC001504903713 1068487325 /nfs/dbraw/zinc/48/73/25/1068487325.db2.gz GUGIBONZMNOWOT-VYMQAWTISA-N 1 2 462.642 -0.044 20 0 JBADLO COCC[N@H+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2([S@](C)=O)CC2)C[C@H]1C ZINC001504903721 1068487304 /nfs/dbraw/zinc/48/73/04/1068487304.db2.gz GUGIBONZMNOWOT-WBHWENKQSA-N 1 2 462.642 -0.044 20 0 JBADLO COCC[N@@H+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2([S@](C)=O)CC2)C[C@H]1C ZINC001504903721 1068487297 /nfs/dbraw/zinc/48/72/97/1068487297.db2.gz GUGIBONZMNOWOT-WBHWENKQSA-N 1 2 462.642 -0.044 20 0 JBADLO COCCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@]2([NH+]3CCOCC3)CCSC2)CC1=O ZINC001504904441 1068487094 /nfs/dbraw/zinc/48/70/94/1068487094.db2.gz OKKBSUCVOQFTHC-JOCHJYFZSA-N 1 2 495.650 -0.081 20 0 JBADLO COCCN1CCN(c2nnc(C(=O)NC(C)C)n2C[C@@]2([NH+]3CCOCC3)CCSC2)CC1=O ZINC001504904451 1068487270 /nfs/dbraw/zinc/48/72/70/1068487270.db2.gz OKKBSUCVOQFTHC-QFIPXVFZSA-N 1 2 495.650 -0.081 20 0 JBADLO COCCNC(=O)CN1CCN(c2nnc(C)n2Cc2ccc(N3CCOCC3)[nH+]c2)CC1 ZINC001504938041 1068496040 /nfs/dbraw/zinc/49/60/40/1068496040.db2.gz OIVNJHOKHXWCCL-UHFFFAOYSA-N 1 2 458.567 -0.249 20 0 JBADLO COCCNC(=O)CN1CCN(c2nnc([C@H]3CCCOC3)n2C[C@H](C)[NH+]2CCOCC2)CC1 ZINC001504939184 1068497306 /nfs/dbraw/zinc/49/73/06/1068497306.db2.gz GXVCDXPKVQTHQF-PMACEKPBSA-N 1 2 479.626 -0.223 20 0 JBADLO COCCNC(=O)CN1CCN(c2nnc([C@H]3CCCOC3)n2C[C@@H](C)[NH+]2CCOCC2)CC1 ZINC001504939185 1068497203 /nfs/dbraw/zinc/49/72/03/1068497203.db2.gz GXVCDXPKVQTHQF-UXHICEINSA-N 1 2 479.626 -0.223 20 0 JBADLO COCCNC(=O)CN1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@H](C)[NH+]2CCOCC2)CC1 ZINC001504939186 1068497125 /nfs/dbraw/zinc/49/71/25/1068497125.db2.gz GXVCDXPKVQTHQF-VQTJNVASSA-N 1 2 479.626 -0.223 20 0 JBADLO COCCNC(=O)CN1CCN(c2nnc([C@@H]3CCCOC3)n2C[C@@H](C)[NH+]2CCOCC2)CC1 ZINC001504939187 1068497229 /nfs/dbraw/zinc/49/72/29/1068497229.db2.gz GXVCDXPKVQTHQF-WOJBJXKFSA-N 1 2 479.626 -0.223 20 0 JBADLO COCCNC(=O)CN1CCN(c2nnc([C@H]3CCOC3)n2CC[N@H+]2CCOC[C@H]2C)CC1 ZINC001504939335 1068497987 /nfs/dbraw/zinc/49/79/87/1068497987.db2.gz KOIHUBPNJWQILP-MOPGFXCFSA-N 1 2 465.599 -0.613 20 0 JBADLO COCCNC(=O)CN1CCN(c2nnc([C@H]3CCOC3)n2CC[N@@H+]2CCOC[C@H]2C)CC1 ZINC001504939335 1068497982 /nfs/dbraw/zinc/49/79/82/1068497982.db2.gz KOIHUBPNJWQILP-MOPGFXCFSA-N 1 2 465.599 -0.613 20 0 JBADLO COCCNC(=O)CN1CCN(c2nnc([C@H]3CCOC3)n2CC[N@H+]2CCOC[C@@H]2C)CC1 ZINC001504939336 1068498013 /nfs/dbraw/zinc/49/80/13/1068498013.db2.gz KOIHUBPNJWQILP-OALUTQOASA-N 1 2 465.599 -0.613 20 0 JBADLO COCCNC(=O)CN1CCN(c2nnc([C@H]3CCOC3)n2CC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC001504939336 1068498009 /nfs/dbraw/zinc/49/80/09/1068498009.db2.gz KOIHUBPNJWQILP-OALUTQOASA-N 1 2 465.599 -0.613 20 0 JBADLO COCCNC(=O)CN1CCN(c2nnc([C@@H]3CCOC3)n2CC[N@H+]2CCOC[C@@H]2C)CC1 ZINC001504939337 1068497912 /nfs/dbraw/zinc/49/79/12/1068497912.db2.gz KOIHUBPNJWQILP-RBUKOAKNSA-N 1 2 465.599 -0.613 20 0 JBADLO COCCNC(=O)CN1CCN(c2nnc([C@@H]3CCOC3)n2CC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC001504939337 1068497908 /nfs/dbraw/zinc/49/79/08/1068497908.db2.gz KOIHUBPNJWQILP-RBUKOAKNSA-N 1 2 465.599 -0.613 20 0 JBADLO COCCNC(=O)CN1CCN(c2nnc([C@@H]3CCOC3)n2CC[N@H+]2CCOC[C@H]2C)CC1 ZINC001504939338 1068497966 /nfs/dbraw/zinc/49/79/66/1068497966.db2.gz KOIHUBPNJWQILP-RTBURBONSA-N 1 2 465.599 -0.613 20 0 JBADLO COCCNC(=O)CN1CCN(c2nnc([C@@H]3CCOC3)n2CC[N@@H+]2CCOC[C@H]2C)CC1 ZINC001504939338 1068497962 /nfs/dbraw/zinc/49/79/62/1068497962.db2.gz KOIHUBPNJWQILP-RTBURBONSA-N 1 2 465.599 -0.613 20 0 JBADLO COCCO[C@@H](C)c1nnc(N2CC[C@@](C)(C(N)=O)C2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001504956714 1068499237 /nfs/dbraw/zinc/49/92/37/1068499237.db2.gz GCNWPTUBJXULPL-HRAATJIYSA-N 1 2 451.572 -0.132 20 0 JBADLO COCCO[C@H](C)c1nnc(N2CC[C@](C)(C(N)=O)C2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001504956718 1068499089 /nfs/dbraw/zinc/49/90/89/1068499089.db2.gz GCNWPTUBJXULPL-IERDGZPVSA-N 1 2 451.572 -0.132 20 0 JBADLO COCCO[C@H](C)c1nnc(N2CC[C@@](C)(C(N)=O)C2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001504956720 1068499105 /nfs/dbraw/zinc/49/91/05/1068499105.db2.gz GCNWPTUBJXULPL-IIBYNOLFSA-N 1 2 451.572 -0.132 20 0 JBADLO COCCO[C@@H](C)c1nnc(N2CC[C@](C)(C(N)=O)C2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001504956722 1068499255 /nfs/dbraw/zinc/49/92/55/1068499255.db2.gz GCNWPTUBJXULPL-KKSFZXQISA-N 1 2 451.572 -0.132 20 0 JBADLO COCCO[C@@H](C)c1nnc(N2CCN(C(=O)C(=O)NC(C)C)CC2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001504992462 1068501090 /nfs/dbraw/zinc/50/10/90/1068501090.db2.gz UPNMKSNXPHMVOX-MOPGFXCFSA-N 1 2 495.625 -0.104 20 0 JBADLO COCCO[C@@H](C)c1nnc(N2CCN(C(=O)C(=O)NC(C)C)CC2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001504992463 1068500946 /nfs/dbraw/zinc/50/09/46/1068500946.db2.gz UPNMKSNXPHMVOX-OALUTQOASA-N 1 2 495.625 -0.104 20 0 JBADLO COCCO[C@H](C)c1nnc(N2CCN(C(=O)C(=O)NC(C)C)CC2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001504992464 1068500883 /nfs/dbraw/zinc/50/08/83/1068500883.db2.gz UPNMKSNXPHMVOX-RBUKOAKNSA-N 1 2 495.625 -0.104 20 0 JBADLO COCCO[C@H](C)c1nnc(N2CCN(C(=O)C(=O)NC(C)C)CC2)n1C[C@@H](C)[NH+]1CCOCC1 ZINC001504992465 1068501153 /nfs/dbraw/zinc/50/11/53/1068501153.db2.gz UPNMKSNXPHMVOX-RTBURBONSA-N 1 2 495.625 -0.104 20 0 JBADLO COCCO[C@@H](C)c1nnc(N2CCN3C(=O)CC[C@H]3C2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001504998426 1068502146 /nfs/dbraw/zinc/50/21/46/1068502146.db2.gz OBLJRKVCLKYCEO-HKUYNNGSSA-N 1 2 463.583 -0.023 20 0 JBADLO COCCO[C@H](C)c1nnc(N2CCN3C(=O)CC[C@@H]3C2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001504998429 1068502049 /nfs/dbraw/zinc/50/20/49/1068502049.db2.gz OBLJRKVCLKYCEO-IEBWSBKVSA-N 1 2 463.583 -0.023 20 0 JBADLO COCCO[C@H](C)c1nnc(N2CCN3C(=O)CC[C@H]3C2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001504998432 1068502228 /nfs/dbraw/zinc/50/22/28/1068502228.db2.gz OBLJRKVCLKYCEO-MJGOQNOKSA-N 1 2 463.583 -0.023 20 0 JBADLO COCCO[C@@H](C)c1nnc(N2CCN3C(=O)CC[C@@H]3C2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001504998435 1068502105 /nfs/dbraw/zinc/50/21/05/1068502105.db2.gz OBLJRKVCLKYCEO-PKOBYXMFSA-N 1 2 463.583 -0.023 20 0 JBADLO COC[C@@H]1CCO[C@@H]1c1nnc(N2CC(=O)N(C)[C@H](C)C2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001505067590 1068505488 /nfs/dbraw/zinc/50/54/88/1068505488.db2.gz IAYFOQZEDZICRU-KPFFTGBYSA-N 1 2 463.583 -0.167 20 0 JBADLO COC[C@@H]1CCO[C@@H]1c1nnc(N2CC(=O)N(C)[C@@H](C)C2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001505067592 1068505510 /nfs/dbraw/zinc/50/55/10/1068505510.db2.gz IAYFOQZEDZICRU-QRFRQXIXSA-N 1 2 463.583 -0.167 20 0 JBADLO CO[C@@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2([NH+]3CCOCC3)CC2)C[C@@H]1OC ZINC001505114600 1068508220 /nfs/dbraw/zinc/50/82/20/1068508220.db2.gz CSQHRFKPSHBNIY-HRCADAONSA-N 1 2 458.585 -0.397 20 0 JBADLO CO[C@@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2([NH+]3CCOCC3)CC2)C[C@@H]1OC ZINC001505114601 1068507990 /nfs/dbraw/zinc/50/79/90/1068507990.db2.gz CSQHRFKPSHBNIY-OAGGEKHMSA-N 1 2 458.585 -0.397 20 0 JBADLO CS(=O)(=O)N1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[N@@H+]2CC=CCC2)CC1 ZINC001505137802 1068514301 /nfs/dbraw/zinc/51/43/01/1068514301.db2.gz PLYVFNBWUHQTSQ-INIZCTEOSA-N 1 2 458.610 -0.476 20 0 JBADLO CS(=O)(=O)N1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC[N@H+]2CC=CCC2)CC1 ZINC001505137802 1068514290 /nfs/dbraw/zinc/51/42/90/1068514290.db2.gz PLYVFNBWUHQTSQ-INIZCTEOSA-N 1 2 458.610 -0.476 20 0 JBADLO CS(=O)(=O)N1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[N@@H+]2CC=CCC2)CC1 ZINC001505137805 1068514235 /nfs/dbraw/zinc/51/42/35/1068514235.db2.gz PLYVFNBWUHQTSQ-MRXNPFEDSA-N 1 2 458.610 -0.476 20 0 JBADLO CS(=O)(=O)N1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC[N@H+]2CC=CCC2)CC1 ZINC001505137805 1068514221 /nfs/dbraw/zinc/51/42/21/1068514221.db2.gz PLYVFNBWUHQTSQ-MRXNPFEDSA-N 1 2 458.610 -0.476 20 0 JBADLO O=C(Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1)NCC(F)F ZINC001505345969 1068527533 /nfs/dbraw/zinc/52/75/33/1068527533.db2.gz REZJASBWVXMQDA-CABCVRRESA-N 1 2 476.550 -0.280 20 0 JBADLO O=C(Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1)NCC(F)F ZINC001505345972 1068527735 /nfs/dbraw/zinc/52/77/35/1068527735.db2.gz REZJASBWVXMQDA-GJZGRUSLSA-N 1 2 476.550 -0.280 20 0 JBADLO O=C(Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1)NCC(F)F ZINC001505345973 1068527598 /nfs/dbraw/zinc/52/75/98/1068527598.db2.gz REZJASBWVXMQDA-HUUCEWRRSA-N 1 2 476.550 -0.280 20 0 JBADLO O=C(Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1)NCC(F)F ZINC001505345974 1068527666 /nfs/dbraw/zinc/52/76/66/1068527666.db2.gz REZJASBWVXMQDA-LSDHHAIUSA-N 1 2 476.550 -0.280 20 0 JBADLO CC(=O)N1CCCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C)[NH+]2CCOCC2)CC1 ZINC001508220585 1068548464 /nfs/dbraw/zinc/54/84/64/1068548464.db2.gz IYFCXAAUDFGFFW-HKUYNNGSSA-N 1 2 499.638 -0.610 20 0 JBADLO CC(=O)N1CCCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)[NH+]2CCOCC2)CC1 ZINC001508220603 1068548523 /nfs/dbraw/zinc/54/85/23/1068548523.db2.gz IYFCXAAUDFGFFW-IEBWSBKVSA-N 1 2 499.638 -0.610 20 0 JBADLO CC(=O)N1CCCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)[NH+]2CCOCC2)CC1 ZINC001508220608 1068548384 /nfs/dbraw/zinc/54/83/84/1068548384.db2.gz IYFCXAAUDFGFFW-MJGOQNOKSA-N 1 2 499.638 -0.610 20 0 JBADLO CC(=O)N1CCCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C)[NH+]2CCOCC2)CC1 ZINC001508220613 1068548655 /nfs/dbraw/zinc/54/86/55/1068548655.db2.gz IYFCXAAUDFGFFW-PKOBYXMFSA-N 1 2 499.638 -0.610 20 0 JBADLO CC(=O)N1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(N3CCOCC3)[nH+]c2)CC1 ZINC001508238402 1068549917 /nfs/dbraw/zinc/54/99/17/1068549917.db2.gz UMPQBPIWGOEGRJ-INIZCTEOSA-N 1 2 492.606 -0.163 20 0 JBADLO CC(=O)N1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(N3CCOCC3)[nH+]c2)CC1 ZINC001508238403 1068550504 /nfs/dbraw/zinc/55/05/04/1068550504.db2.gz UMPQBPIWGOEGRJ-MRXNPFEDSA-N 1 2 492.606 -0.163 20 0 JBADLO CC(=O)N1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@@H+]2CCOC[C@H]2C)CC1 ZINC001508255189 1068550913 /nfs/dbraw/zinc/55/09/13/1068550913.db2.gz UGHKSYLOQGSILH-AEFFLSMTSA-N 1 2 485.611 -1.000 20 0 JBADLO CC(=O)N1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@H+]2CCOC[C@H]2C)CC1 ZINC001508255189 1068550899 /nfs/dbraw/zinc/55/08/99/1068550899.db2.gz UGHKSYLOQGSILH-AEFFLSMTSA-N 1 2 485.611 -1.000 20 0 JBADLO CC(=O)N1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC001508255192 1068551009 /nfs/dbraw/zinc/55/10/09/1068551009.db2.gz UGHKSYLOQGSILH-FUHWJXTLSA-N 1 2 485.611 -1.000 20 0 JBADLO CC(=O)N1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@H+]2CCOC[C@@H]2C)CC1 ZINC001508255192 1068550999 /nfs/dbraw/zinc/55/09/99/1068550999.db2.gz UGHKSYLOQGSILH-FUHWJXTLSA-N 1 2 485.611 -1.000 20 0 JBADLO CC(=O)N1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@@H+]2CCOC[C@H]2C)CC1 ZINC001508255195 1068551061 /nfs/dbraw/zinc/55/10/61/1068551061.db2.gz UGHKSYLOQGSILH-SJLPKXTDSA-N 1 2 485.611 -1.000 20 0 JBADLO CC(=O)N1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@H+]2CCOC[C@H]2C)CC1 ZINC001508255195 1068551048 /nfs/dbraw/zinc/55/10/48/1068551048.db2.gz UGHKSYLOQGSILH-SJLPKXTDSA-N 1 2 485.611 -1.000 20 0 JBADLO CC(=O)N1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC001508255198 1068550969 /nfs/dbraw/zinc/55/09/69/1068550969.db2.gz UGHKSYLOQGSILH-WMZOPIPTSA-N 1 2 485.611 -1.000 20 0 JBADLO CC(=O)N1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@H+]2CCOC[C@@H]2C)CC1 ZINC001508255198 1068550959 /nfs/dbraw/zinc/55/09/59/1068550959.db2.gz UGHKSYLOQGSILH-WMZOPIPTSA-N 1 2 485.611 -1.000 20 0 JBADLO CC(=O)N1CC[NH+](CCn2c(CN3CCCC3=O)nnc2N2CCN(C(=O)C(C)C)CC2)CC1 ZINC001508273117 1068552903 /nfs/dbraw/zinc/55/29/03/1068552903.db2.gz LCJJIPMVODBWAY-UHFFFAOYSA-N 1 2 474.610 -0.131 20 0 JBADLO CC(=O)N1CC[NH+](CCn2c([C@H](C)NS(C)(=O)=O)nnc2N(Cc2ccnn2C)C2CC2)CC1 ZINC001508273719 1068553160 /nfs/dbraw/zinc/55/31/60/1068553160.db2.gz CIJJDEDMHYSDJB-INIZCTEOSA-N 1 2 493.638 -0.045 20 0 JBADLO CC(=O)N1CC[NH+](CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N(Cc2ccnn2C)C2CC2)CC1 ZINC001508273722 1068553211 /nfs/dbraw/zinc/55/32/11/1068553211.db2.gz CIJJDEDMHYSDJB-MRXNPFEDSA-N 1 2 493.638 -0.045 20 0 JBADLO CC(=O)N1CC[NH+](CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN3C(=O)OC[C@@]3(C)C2)CC1 ZINC001508273734 1068552832 /nfs/dbraw/zinc/55/28/32/1068552832.db2.gz CKMDEFYZRYWSOC-FOIQADDNSA-N 1 2 498.610 -0.917 20 0 JBADLO CC(=O)N1CC[NH+](CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN3C(=O)OC[C@@]3(C)C2)CC1 ZINC001508273735 1068553136 /nfs/dbraw/zinc/55/31/36/1068553136.db2.gz CKMDEFYZRYWSOC-MGPUTAFESA-N 1 2 498.610 -0.917 20 0 JBADLO CC(=O)N1CC[NH+](CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCN3C(=O)OC[C@]3(C)C2)CC1 ZINC001508273737 1068553011 /nfs/dbraw/zinc/55/30/11/1068553011.db2.gz CKMDEFYZRYWSOC-QRWLVFNGSA-N 1 2 498.610 -0.917 20 0 JBADLO CC(=O)N1CC[NH+](CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCN3C(=O)OC[C@]3(C)C2)CC1 ZINC001508273739 1068552806 /nfs/dbraw/zinc/55/28/06/1068552806.db2.gz CKMDEFYZRYWSOC-YWZLYKJASA-N 1 2 498.610 -0.917 20 0 JBADLO CC(=O)N1CC[NH+](CCn2c(CN3CCCC3=O)nnc2N2CCN(CC(F)F)CC2)CC1 ZINC001508273973 1068552871 /nfs/dbraw/zinc/55/28/71/1068552871.db2.gz OBEWPIFHRVOVHF-UHFFFAOYSA-N 1 2 468.553 -0.048 20 0 JBADLO CC(=O)N1CC[NH+](CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@@H]3[C@@H](CC(=O)N3C)C2)CC1 ZINC001508275469 1068553054 /nfs/dbraw/zinc/55/30/54/1068553054.db2.gz IZBDENMOFALVFB-BPQIPLTHSA-N 1 2 496.638 -0.891 20 0 JBADLO CC(=O)N1CC[NH+](CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@@H]3[C@@H](CC(=O)N3C)C2)CC1 ZINC001508275470 1068553115 /nfs/dbraw/zinc/55/31/15/1068553115.db2.gz IZBDENMOFALVFB-RYQLBKOJSA-N 1 2 496.638 -0.891 20 0 JBADLO CC(=O)N1CC[NH+](CCn2c([C@H]3CCCOC3)nnc2N2CCN(CC(=O)NC(C)C)CC2)CC1 ZINC001508277012 1068553789 /nfs/dbraw/zinc/55/37/89/1068553789.db2.gz DRYCCPBOXAQYCY-NRFANRHFSA-N 1 2 490.653 -0.017 20 0 JBADLO CC(=O)N1CC[NH+](CCn2c([C@@H]3CCCOC3)nnc2N2CCN(CC(=O)NC(C)C)CC2)CC1 ZINC001508277088 1068553879 /nfs/dbraw/zinc/55/38/79/1068553879.db2.gz DRYCCPBOXAQYCY-OAQYLSRUSA-N 1 2 490.653 -0.017 20 0 JBADLO CC(=O)N1CC[NH+](CCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)CC2CC2)CC1 ZINC001508277114 1068553468 /nfs/dbraw/zinc/55/34/68/1068553468.db2.gz DXTOKHMVJDQYFV-GOSISDBHSA-N 1 2 469.612 -0.379 20 0 JBADLO CC(=O)N1CC[NH+](CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)CC2CC2)CC1 ZINC001508277118 1068553710 /nfs/dbraw/zinc/55/37/10/1068553710.db2.gz DXTOKHMVJDQYFV-SFHVURJKSA-N 1 2 469.612 -0.379 20 0 JBADLO CC(=O)N1CC[NH+](CCn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)C[C@H]2CCOC2)CC1 ZINC001508277331 1068553540 /nfs/dbraw/zinc/55/35/40/1068553540.db2.gz PPCYYBNRBAJXAL-DOTOQJQBSA-N 1 2 457.601 -0.475 20 0 JBADLO CC(=O)N1CC[NH+](CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)C[C@H]2CCOC2)CC1 ZINC001508277333 1068553857 /nfs/dbraw/zinc/55/38/57/1068553857.db2.gz PPCYYBNRBAJXAL-NVXWUHKLSA-N 1 2 457.601 -0.475 20 0 JBADLO CC(=O)N1CC[NH+](CCn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)C[C@@H]2CCOC2)CC1 ZINC001508277335 1068553578 /nfs/dbraw/zinc/55/35/78/1068553578.db2.gz PPCYYBNRBAJXAL-RDJZCZTQSA-N 1 2 457.601 -0.475 20 0 JBADLO CC(=O)N1CC[NH+](CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)C[C@@H]2CCOC2)CC1 ZINC001508277337 1068553737 /nfs/dbraw/zinc/55/37/37/1068553737.db2.gz PPCYYBNRBAJXAL-WBVHZDCISA-N 1 2 457.601 -0.475 20 0 JBADLO CC(=O)N1CC[NH+](CCn2c([C@H]3CCOC3)nnc2N2CCC(NS(C)(=O)=O)CC2)CC1 ZINC001508277873 1068554527 /nfs/dbraw/zinc/55/45/27/1068554527.db2.gz IBLLGELXDVBAOR-KRWDZBQOSA-N 1 2 469.612 -0.536 20 0 JBADLO CC(=O)N1CC[NH+](CCn2c([C@@H]3CCOC3)nnc2N2CCC(NS(C)(=O)=O)CC2)CC1 ZINC001508277874 1068554494 /nfs/dbraw/zinc/55/44/94/1068554494.db2.gz IBLLGELXDVBAOR-QGZVFWFLSA-N 1 2 469.612 -0.536 20 0 JBADLO CC(=O)N1CC[NH+](CCn2c([C@@H]3CCC(=O)N3)nnc2N2CCC[C@H](CNS(C)(=O)=O)C2)CC1 ZINC001508278746 1068554376 /nfs/dbraw/zinc/55/43/76/1068554376.db2.gz KCQRFYNBVUVFQH-MSOLQXFVSA-N 1 2 496.638 -0.841 20 0 JBADLO CC(=O)N1CC[NH+](CCn2c([C@H]3CCC(=O)N3)nnc2N2CCC[C@H](CNS(C)(=O)=O)C2)CC1 ZINC001508278755 1068554420 /nfs/dbraw/zinc/55/44/20/1068554420.db2.gz KCQRFYNBVUVFQH-QZTJIDSGSA-N 1 2 496.638 -0.841 20 0 JBADLO CC(=O)N1CC[NH+](CCn2c([C@@H]3CCC(=O)N3)nnc2N2CCC[C@@H](CNS(C)(=O)=O)C2)CC1 ZINC001508278757 1068554218 /nfs/dbraw/zinc/55/42/18/1068554218.db2.gz KCQRFYNBVUVFQH-ROUUACIJSA-N 1 2 496.638 -0.841 20 0 JBADLO CC(=O)N1CC[NH+](CCn2c([C@H]3CCC(=O)N3)nnc2N2CCC[C@@H](CNS(C)(=O)=O)C2)CC1 ZINC001508278760 1068554320 /nfs/dbraw/zinc/55/43/20/1068554320.db2.gz KCQRFYNBVUVFQH-ZWKOTPCHSA-N 1 2 496.638 -0.841 20 0 JBADLO CC(=O)N1CC[NH+](CCn2c(C)nnc2N2CCN(S(=O)(=O)Cc3ccon3)CC2)CC1 ZINC001508279426 1068554347 /nfs/dbraw/zinc/55/43/47/1068554347.db2.gz XGDSAJHLPXAPAS-UHFFFAOYSA-N 1 2 466.568 -0.609 20 0 JBADLO CC(=O)N1CC[NH+](CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCCN(C(C)=O)CC2)CC1 ZINC001508279440 1068554278 /nfs/dbraw/zinc/55/42/78/1068554278.db2.gz XQAZUAJIKNIHGY-INIZCTEOSA-N 1 2 484.627 -0.889 20 0 JBADLO CC(=O)N1CC[NH+](CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCCN(C(C)=O)CC2)CC1 ZINC001508279441 1068554475 /nfs/dbraw/zinc/55/44/75/1068554475.db2.gz XQAZUAJIKNIHGY-MRXNPFEDSA-N 1 2 484.627 -0.889 20 0 JBADLO CC(=O)N1CC[NH+](CCn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)Cc2cc(C)on2)CC1 ZINC001508279454 1068554872 /nfs/dbraw/zinc/55/48/72/1068554872.db2.gz XXWUQZKPIIEAHX-HNNXBMFYSA-N 1 2 468.584 -0.015 20 0 JBADLO CC(=O)N1CC[NH+](CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)Cc2cc(C)on2)CC1 ZINC001508279456 1068555097 /nfs/dbraw/zinc/55/50/97/1068555097.db2.gz XXWUQZKPIIEAHX-OAHLLOKOSA-N 1 2 468.584 -0.015 20 0 JBADLO CC(=O)N1CC[NH+](CCn2c(CC(C)C)nnc2N2CCN(C(=O)C(=O)NC3CC3)CC2)CC1 ZINC001508279548 1068555117 /nfs/dbraw/zinc/55/51/17/1068555117.db2.gz RSOSQGQRMDDBPA-UHFFFAOYSA-N 1 2 474.610 -0.432 20 0 JBADLO CC(=O)N1CC[NH+](CCn2c(Cc3csc(C)n3)nnc2N(C)CCNS(C)(=O)=O)CC1 ZINC001508279951 1068555011 /nfs/dbraw/zinc/55/50/11/1068555011.db2.gz UOKFQPWYOLPWSV-UHFFFAOYSA-N 1 2 484.652 -0.217 20 0 JBADLO CC(=O)N1CC[NH+](CCn2c(Cc3cccnc3)nnc2N(C)CCNS(C)(=O)=O)CC1 ZINC001508280030 1068554928 /nfs/dbraw/zinc/55/49/28/1068554928.db2.gz VONHYOPQUJUEPM-UHFFFAOYSA-N 1 2 464.596 -0.587 20 0 JBADLO CC(=O)N1CC[NH+](CCn2c(Cc3cccnc3)nnc2N2CCN(S(C)(=O)=O)[C@@H](C)C2)CC1 ZINC001508280133 1068554892 /nfs/dbraw/zinc/55/48/92/1068554892.db2.gz WHNWWGUNOWUTAN-SFHVURJKSA-N 1 2 490.634 -0.102 20 0 JBADLO CC(=O)N1CC[NH+](CCn2c([C@H]3CCC(=O)N3)nnc2N2CCN(C(=O)C(C)C)CC2)CC1 ZINC001508280368 1068554959 /nfs/dbraw/zinc/55/49/59/1068554959.db2.gz UDUSPTCPYJFERZ-GOSISDBHSA-N 1 2 460.583 -0.302 20 0 JBADLO CC(=O)N1CC[NH+](CCn2c([C@@H]3CCC(=O)N3)nnc2N2CCN(C(=O)C(C)C)CC2)CC1 ZINC001508280370 1068555071 /nfs/dbraw/zinc/55/50/71/1068555071.db2.gz UDUSPTCPYJFERZ-SFHVURJKSA-N 1 2 460.583 -0.302 20 0 JBADLO CC(=O)N1CC[NH+](CCn2c([C@@H]3CCC(=O)N3)nnc2N2CCN(CC(=O)NC(C)C)CC2)CC1 ZINC001508281306 1068555027 /nfs/dbraw/zinc/55/50/27/1068555027.db2.gz YXFAXVVQMIGDKO-IBGZPJMESA-N 1 2 489.625 -0.960 20 0 JBADLO CC(=O)N1CC[NH+](CCn2c([C@H]3CCC(=O)N3)nnc2N2CCN(CC(=O)NC(C)C)CC2)CC1 ZINC001508281308 1068554848 /nfs/dbraw/zinc/55/48/48/1068554848.db2.gz YXFAXVVQMIGDKO-LJQANCHMSA-N 1 2 489.625 -0.960 20 0 JBADLO CC(=O)NC[C@@H]1CCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[NH+]2CCN(C(C)=O)CC2)C1 ZINC001508347936 1068557310 /nfs/dbraw/zinc/55/73/10/1068557310.db2.gz XMNLBICLDCXWMW-APWZRJJASA-N 1 2 498.654 -0.595 20 0 JBADLO CC(=O)NC[C@@H]1CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[NH+]2CCN(C(C)=O)CC2)C1 ZINC001508347940 1068557082 /nfs/dbraw/zinc/55/70/82/1068557082.db2.gz XMNLBICLDCXWMW-LPHOPBHVSA-N 1 2 498.654 -0.595 20 0 JBADLO CC(=O)NC[C@H]1CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[NH+]2CCN(C(C)=O)CC2)C1 ZINC001508347942 1068557158 /nfs/dbraw/zinc/55/71/58/1068557158.db2.gz XMNLBICLDCXWMW-QFBILLFUSA-N 1 2 498.654 -0.595 20 0 JBADLO CC(=O)NC[C@H]1CCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[NH+]2CCN(C(C)=O)CC2)C1 ZINC001508347946 1068557256 /nfs/dbraw/zinc/55/72/56/1068557256.db2.gz XMNLBICLDCXWMW-VQIMIIECSA-N 1 2 498.654 -0.595 20 0 JBADLO CC(=O)NC[C@@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2([NH+]3CCOCC3)CC2)CCO1 ZINC001508374453 1068559065 /nfs/dbraw/zinc/55/90/65/1068559065.db2.gz NYVCHQIICHHHQW-DOTOQJQBSA-N 1 2 485.611 -0.906 20 0 JBADLO CC(=O)NC[C@@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2([NH+]3CCOCC3)CC2)CCO1 ZINC001508374459 1068559050 /nfs/dbraw/zinc/55/90/50/1068559050.db2.gz NYVCHQIICHHHQW-NVXWUHKLSA-N 1 2 485.611 -0.906 20 0 JBADLO CC(=O)NC[C@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2([NH+]3CCOCC3)CC2)CCO1 ZINC001508374462 1068559170 /nfs/dbraw/zinc/55/91/70/1068559170.db2.gz NYVCHQIICHHHQW-RDJZCZTQSA-N 1 2 485.611 -0.906 20 0 JBADLO CC(=O)NC[C@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2([NH+]3CCOCC3)CC2)CCO1 ZINC001508374465 1068559252 /nfs/dbraw/zinc/55/92/52/1068559252.db2.gz NYVCHQIICHHHQW-WBVHZDCISA-N 1 2 485.611 -0.906 20 0 JBADLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(c2nnc(-c3cccn3C)n2CCS(=O)(=O)N(C)C)CC1 ZINC001508431733 1068563708 /nfs/dbraw/zinc/56/37/08/1068563708.db2.gz GDRPDBYAMXLMQO-INIZCTEOSA-N 1 2 478.623 -0.036 20 0 JBADLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(c2nnc(-c3cccn3C)n2CCS(=O)(=O)N(C)C)CC1 ZINC001508431738 1068563463 /nfs/dbraw/zinc/56/34/63/1068563463.db2.gz GDRPDBYAMXLMQO-MRXNPFEDSA-N 1 2 478.623 -0.036 20 0 JBADLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(c2nnc(-c3cnn(C)c3)n2CCCNS(C)(=O)=O)CC1 ZINC001508432776 1068563674 /nfs/dbraw/zinc/56/36/74/1068563674.db2.gz JWLMKBHWHJDUPF-KRWDZBQOSA-N 1 2 493.638 -0.249 20 0 JBADLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(c2nnc(-c3cnn(C)c3)n2CCCNS(C)(=O)=O)CC1 ZINC001508432783 1068563419 /nfs/dbraw/zinc/56/34/19/1068563419.db2.gz JWLMKBHWHJDUPF-QGZVFWFLSA-N 1 2 493.638 -0.249 20 0 JBADLO CC(C)(Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C(N)=O)C1)[NH+]1CCOCC1 ZINC001508717571 1068566000 /nfs/dbraw/zinc/56/60/00/1068566000.db2.gz UOPFWQPDUXGDKT-CVEARBPZSA-N 1 2 485.611 -0.967 20 0 JBADLO CC(C)(Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C(N)=O)C1)[NH+]1CCOCC1 ZINC001508717572 1068565891 /nfs/dbraw/zinc/56/58/91/1068565891.db2.gz UOPFWQPDUXGDKT-HOTGVXAUSA-N 1 2 485.611 -0.967 20 0 JBADLO CC(C)(Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@H](C(N)=O)C1)[NH+]1CCOCC1 ZINC001508717573 1068566160 /nfs/dbraw/zinc/56/61/60/1068566160.db2.gz UOPFWQPDUXGDKT-HZPDHXFCSA-N 1 2 485.611 -0.967 20 0 JBADLO CC(C)(Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@H](C(N)=O)C1)[NH+]1CCOCC1 ZINC001508717574 1068566109 /nfs/dbraw/zinc/56/61/09/1068566109.db2.gz UOPFWQPDUXGDKT-JKSUJKDBSA-N 1 2 485.611 -0.967 20 0 JBADLO CC(C)[C@H](Cn1c(C(=O)N2CCCC2)nnc1N(C)CCNS(C)(=O)=O)[NH+]1CCOCC1 ZINC001508857897 1068570165 /nfs/dbraw/zinc/57/01/65/1068570165.db2.gz RWNFESVXNIZLBW-KRWDZBQOSA-N 1 2 471.628 -0.144 20 0 JBADLO CC(C)[C@@H](Cn1c(C(=O)N2CCCC2)nnc1N(C)CCNS(C)(=O)=O)[NH+]1CCOCC1 ZINC001508857900 1068570028 /nfs/dbraw/zinc/57/00/28/1068570028.db2.gz RWNFESVXNIZLBW-QGZVFWFLSA-N 1 2 471.628 -0.144 20 0 JBADLO CC(C)C[NH+]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCS(C)(=O)=O)CC1 ZINC001509425562 1068573018 /nfs/dbraw/zinc/57/30/18/1068573018.db2.gz AOVXLIHFRKEYKT-KRWDZBQOSA-N 1 2 492.668 -0.176 20 0 JBADLO CC(C)C[NH+]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCS(C)(=O)=O)CC1 ZINC001509425563 1068573303 /nfs/dbraw/zinc/57/33/03/1068573303.db2.gz AOVXLIHFRKEYKT-QGZVFWFLSA-N 1 2 492.668 -0.176 20 0 JBADLO CC(C)[NH+]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCNC(=O)c2ccn[nH]2)CC1 ZINC001509569801 1068575690 /nfs/dbraw/zinc/57/56/90/1068575690.db2.gz PSFSGPSVRXXMNC-HNNXBMFYSA-N 1 2 450.569 -0.136 20 0 JBADLO CC(C)[NH+]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCNC(=O)c2ccn[nH]2)CC1 ZINC001509569812 1068575681 /nfs/dbraw/zinc/57/56/81/1068575681.db2.gz PSFSGPSVRXXMNC-OAHLLOKOSA-N 1 2 450.569 -0.136 20 0 JBADLO CC(C)[NH+]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC2(S(C)(=O)=O)CC2)CC1 ZINC001509569838 1068575765 /nfs/dbraw/zinc/57/57/65/1068575765.db2.gz PXBFJUKLKJRKPI-INIZCTEOSA-N 1 2 490.652 -0.281 20 0 JBADLO CC(C)[NH+]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC2(S(C)(=O)=O)CC2)CC1 ZINC001509569843 1068575633 /nfs/dbraw/zinc/57/56/33/1068575633.db2.gz PXBFJUKLKJRKPI-MRXNPFEDSA-N 1 2 490.652 -0.281 20 0 JBADLO CC(C)N1CCO[C@@H](C[NH+]2CCN(c3nnc([C@H]4CCOC4)n3CCS(=O)(=O)N(C)C)CC2)C1 ZINC001509578017 1068576462 /nfs/dbraw/zinc/57/64/62/1068576462.db2.gz DKRXSLHGXLXUTB-PMACEKPBSA-N 1 2 499.682 -0.095 20 0 JBADLO CC(C)N1CCO[C@@H](C[NH+]2CCN(c3nnc([C@@H]4CCOC4)n3CCS(=O)(=O)N(C)C)CC2)C1 ZINC001509578020 1068576613 /nfs/dbraw/zinc/57/66/13/1068576613.db2.gz DKRXSLHGXLXUTB-UXHICEINSA-N 1 2 499.682 -0.095 20 0 JBADLO CC(C)N1CCO[C@H](C[NH+]2CCN(c3nnc([C@H]4CCOC4)n3CCS(=O)(=O)N(C)C)CC2)C1 ZINC001509578024 1068576795 /nfs/dbraw/zinc/57/67/95/1068576795.db2.gz DKRXSLHGXLXUTB-VQTJNVASSA-N 1 2 499.682 -0.095 20 0 JBADLO CC(C)N1CCO[C@H](C[NH+]2CCN(c3nnc([C@@H]4CCOC4)n3CCS(=O)(=O)N(C)C)CC2)C1 ZINC001509578028 1068576333 /nfs/dbraw/zinc/57/63/33/1068576333.db2.gz DKRXSLHGXLXUTB-WOJBJXKFSA-N 1 2 499.682 -0.095 20 0 JBADLO CC(C)N1CCO[C@@H](C[NH+]2CCN(c3nnc(-c4cnn(C)c4)n3CC(=O)N(C)C)CC2)C1 ZINC001509580402 1068577465 /nfs/dbraw/zinc/57/74/65/1068577465.db2.gz NRTHJTJMBZSWJI-IBGZPJMESA-N 1 2 459.599 -0.002 20 0 JBADLO CC(C)N1CCO[C@H](C[NH+]2CCN(c3nnc(-c4cnn(C)c4)n3CC(=O)N(C)C)CC2)C1 ZINC001509580406 1068577401 /nfs/dbraw/zinc/57/74/01/1068577401.db2.gz NRTHJTJMBZSWJI-LJQANCHMSA-N 1 2 459.599 -0.002 20 0 JBADLO CC(C)NC(=O)C(=O)N1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H](C)[NH+]2CCOCC2)CC1 ZINC001509581244 1068577051 /nfs/dbraw/zinc/57/70/51/1068577051.db2.gz CZYSEIQKQDKSDJ-MSOLQXFVSA-N 1 2 463.583 -0.324 20 0 JBADLO CC(C)NC(=O)C(=O)N1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H](C)[NH+]2CCOCC2)CC1 ZINC001509581246 1068577485 /nfs/dbraw/zinc/57/74/85/1068577485.db2.gz CZYSEIQKQDKSDJ-QZTJIDSGSA-N 1 2 463.583 -0.324 20 0 JBADLO CC(C)NC(=O)C(=O)N1CCN(c2nnc([C@H]3CCOC3)n2C[C@H](C)[NH+]2CCOCC2)CC1 ZINC001509581248 1068577309 /nfs/dbraw/zinc/57/73/09/1068577309.db2.gz CZYSEIQKQDKSDJ-ROUUACIJSA-N 1 2 463.583 -0.324 20 0 JBADLO CC(C)NC(=O)C(=O)N1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H](C)[NH+]2CCOCC2)CC1 ZINC001509581249 1068577160 /nfs/dbraw/zinc/57/71/60/1068577160.db2.gz CZYSEIQKQDKSDJ-ZWKOTPCHSA-N 1 2 463.583 -0.324 20 0 JBADLO CC(C)NC(=O)C(=O)N1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](C)[NH+]2CCOCC2)CC1 ZINC001509585856 1068578623 /nfs/dbraw/zinc/57/86/23/1068578623.db2.gz VIQVXUXDCMCFFS-GOSISDBHSA-N 1 2 490.609 -0.706 20 0 JBADLO CC(C)NC(=O)C(=O)N1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](C)[NH+]2CCOCC2)CC1 ZINC001509585859 1068578365 /nfs/dbraw/zinc/57/83/65/1068578365.db2.gz VIQVXUXDCMCFFS-SFHVURJKSA-N 1 2 490.609 -0.706 20 0 JBADLO CC(C)NC(=O)c1nnc(N(C)CC(=O)N2CCOCC2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001509590770 1068579270 /nfs/dbraw/zinc/57/92/70/1068579270.db2.gz PGEWGFJPNVVVTE-UHFFFAOYSA-N 1 2 451.572 -0.178 20 0 JBADLO CC(C)NC(=O)c1nnc(N2CCCN(S(C)(=O)=O)CC2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001509670435 1068581297 /nfs/dbraw/zinc/58/12/97/1068581297.db2.gz JTXKJLAADJYTNN-UHFFFAOYSA-N 1 2 471.628 -0.001 20 0 JBADLO CC(C)NS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001509782564 1068591133 /nfs/dbraw/zinc/59/11/33/1068591133.db2.gz NZMQLDBKVKHJHU-UHFFFAOYSA-N 1 2 457.601 -0.390 20 0 JBADLO C[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1)[NH+]1CCOCC1 ZINC001510048129 1068595645 /nfs/dbraw/zinc/59/56/45/1068595645.db2.gz VKJIJAUAKCRNAM-DOTOQJQBSA-N 1 2 469.612 -0.190 20 0 JBADLO C[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1)[NH+]1CCOCC1 ZINC001510048136 1068595426 /nfs/dbraw/zinc/59/54/26/1068595426.db2.gz VKJIJAUAKCRNAM-NVXWUHKLSA-N 1 2 469.612 -0.190 20 0 JBADLO C[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1)[NH+]1CCOCC1 ZINC001510048141 1068595455 /nfs/dbraw/zinc/59/54/55/1068595455.db2.gz VKJIJAUAKCRNAM-RDJZCZTQSA-N 1 2 469.612 -0.190 20 0 JBADLO C[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1)[NH+]1CCOCC1 ZINC001510048147 1068595687 /nfs/dbraw/zinc/59/56/87/1068595687.db2.gz VKJIJAUAKCRNAM-WBVHZDCISA-N 1 2 469.612 -0.190 20 0 JBADLO C[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CO)CC1)[NH+]1CCOCC1 ZINC001510058744 1068596822 /nfs/dbraw/zinc/59/68/22/1068596822.db2.gz KUGOSPUCSIRQMN-AEFFLSMTSA-N 1 2 472.612 -0.460 20 0 JBADLO C[C@@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CO)CC1)[NH+]1CCOCC1 ZINC001510058769 1068597082 /nfs/dbraw/zinc/59/70/82/1068597082.db2.gz KUGOSPUCSIRQMN-FUHWJXTLSA-N 1 2 472.612 -0.460 20 0 JBADLO C[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CO)CC1)[NH+]1CCOCC1 ZINC001510058777 1068596969 /nfs/dbraw/zinc/59/69/69/1068596969.db2.gz KUGOSPUCSIRQMN-SJLPKXTDSA-N 1 2 472.612 -0.460 20 0 JBADLO C[C@@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CO)CC1)[NH+]1CCOCC1 ZINC001510058781 1068596781 /nfs/dbraw/zinc/59/67/81/1068596781.db2.gz KUGOSPUCSIRQMN-WMZOPIPTSA-N 1 2 472.612 -0.460 20 0 JBADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CC(=O)N(C)C[C@H]2C)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001510174831 1068603712 /nfs/dbraw/zinc/60/37/12/1068603712.db2.gz LVLVSFKBNLMESO-CVEARBPZSA-N 1 2 492.606 -0.165 20 0 JBADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CC(=O)N(C)C[C@@H]2C)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001510174918 1068603539 /nfs/dbraw/zinc/60/35/39/1068603539.db2.gz LVLVSFKBNLMESO-HOTGVXAUSA-N 1 2 492.606 -0.165 20 0 JBADLO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC(=O)N(C)C[C@H]2C)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001510174924 1068603567 /nfs/dbraw/zinc/60/35/67/1068603567.db2.gz LVLVSFKBNLMESO-HZPDHXFCSA-N 1 2 492.606 -0.165 20 0 JBADLO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC(=O)N(C)C[C@@H]2C)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001510174931 1068603647 /nfs/dbraw/zinc/60/36/47/1068603647.db2.gz LVLVSFKBNLMESO-JKSUJKDBSA-N 1 2 492.606 -0.165 20 0 JBADLO C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21)[NH+]1CCOCC1 ZINC001510177065 1068604224 /nfs/dbraw/zinc/60/42/24/1068604224.db2.gz QLTZDZMSKVXCEN-MWDXBVQZSA-N 1 2 469.612 -0.144 20 0 JBADLO C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21)[NH+]1CCOCC1 ZINC001510177076 1068604217 /nfs/dbraw/zinc/60/42/17/1068604217.db2.gz QLTZDZMSKVXCEN-NXOAAHMSSA-N 1 2 469.612 -0.144 20 0 JBADLO C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC(=O)N[C@@H]2CCCC[C@@H]21)[NH+]1CCOCC1 ZINC001510177083 1068604274 /nfs/dbraw/zinc/60/42/74/1068604274.db2.gz QLTZDZMSKVXCEN-TWMKSMIVSA-N 1 2 469.612 -0.144 20 0 JBADLO C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC(=O)N[C@@H]2CCCC[C@H]21)[NH+]1CCOCC1 ZINC001510177089 1068604286 /nfs/dbraw/zinc/60/42/86/1068604286.db2.gz QLTZDZMSKVXCEN-YYIAUSFCSA-N 1 2 469.612 -0.144 20 0 JBADLO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H](C(N)=O)C2)n1CC1([NH+]2CCOCC2)CC1 ZINC001510193028 1068607602 /nfs/dbraw/zinc/60/76/02/1068607602.db2.gz FDYAKRGDDYVBJS-CABCVRRESA-N 1 2 455.585 -0.545 20 0 JBADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H](C(N)=O)C2)n1CC1([NH+]2CCOCC2)CC1 ZINC001510193034 1068607529 /nfs/dbraw/zinc/60/75/29/1068607529.db2.gz FDYAKRGDDYVBJS-GJZGRUSLSA-N 1 2 455.585 -0.545 20 0 JBADLO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](C(N)=O)C2)n1CC1([NH+]2CCOCC2)CC1 ZINC001510193040 1068607508 /nfs/dbraw/zinc/60/75/08/1068607508.db2.gz FDYAKRGDDYVBJS-HUUCEWRRSA-N 1 2 455.585 -0.545 20 0 JBADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](C(N)=O)C2)n1CC1([NH+]2CCOCC2)CC1 ZINC001510193045 1068607626 /nfs/dbraw/zinc/60/76/26/1068607626.db2.gz FDYAKRGDDYVBJS-LSDHHAIUSA-N 1 2 455.585 -0.545 20 0 JBADLO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCc3c(cc[nH+]c3N(C)C)C2)n1CCS(C)(=O)=O ZINC001510197959 1068609283 /nfs/dbraw/zinc/60/92/83/1068609283.db2.gz WZRIPAAVCKQAMH-CYBMUJFWSA-N 1 2 471.609 -0.043 20 0 JBADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CCc3c(cc[nH+]c3N(C)C)C2)n1CCS(C)(=O)=O ZINC001510197965 1068609273 /nfs/dbraw/zinc/60/92/73/1068609273.db2.gz WZRIPAAVCKQAMH-ZDUSSCGKSA-N 1 2 471.609 -0.043 20 0 JBADLO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](CC(N)=O)C2)n1CC1([NH+]2CCOCC2)CC1 ZINC001510199449 1068609809 /nfs/dbraw/zinc/60/98/09/1068609809.db2.gz PMGTZPGMDBBWRM-CVEARBPZSA-N 1 2 469.612 -0.155 20 0 JBADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@@H](CC(N)=O)C2)n1CC1([NH+]2CCOCC2)CC1 ZINC001510199455 1068609824 /nfs/dbraw/zinc/60/98/24/1068609824.db2.gz PMGTZPGMDBBWRM-HOTGVXAUSA-N 1 2 469.612 -0.155 20 0 JBADLO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H](CC(N)=O)C2)n1CC1([NH+]2CCOCC2)CC1 ZINC001510199460 1068609881 /nfs/dbraw/zinc/60/98/81/1068609881.db2.gz PMGTZPGMDBBWRM-HZPDHXFCSA-N 1 2 469.612 -0.155 20 0 JBADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC[C@H](CC(N)=O)C2)n1CC1([NH+]2CCOCC2)CC1 ZINC001510199468 1068610485 /nfs/dbraw/zinc/61/04/85/1068610485.db2.gz PMGTZPGMDBBWRM-JKSUJKDBSA-N 1 2 469.612 -0.155 20 0 JBADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](N3CCCC3=O)C2)n1CC[N@H+]1CCOC[C@H]1C ZINC001510201088 1068610471 /nfs/dbraw/zinc/61/04/71/1068610471.db2.gz YZFYJANHEJNDNS-IKGGRYGDSA-N 1 2 469.612 -0.190 20 0 JBADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](N3CCCC3=O)C2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001510201088 1068610468 /nfs/dbraw/zinc/61/04/68/1068610468.db2.gz YZFYJANHEJNDNS-IKGGRYGDSA-N 1 2 469.612 -0.190 20 0 JBADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](N3CCCC3=O)C2)n1CC[N@H+]1CCOC[C@H]1C ZINC001510201090 1068610940 /nfs/dbraw/zinc/61/09/40/1068610940.db2.gz YZFYJANHEJNDNS-IXDOHACOSA-N 1 2 469.612 -0.190 20 0 JBADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](N3CCCC3=O)C2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001510201090 1068610938 /nfs/dbraw/zinc/61/09/38/1068610938.db2.gz YZFYJANHEJNDNS-IXDOHACOSA-N 1 2 469.612 -0.190 20 0 JBADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](N3CCCC3=O)C2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001510201093 1068610904 /nfs/dbraw/zinc/61/09/04/1068610904.db2.gz YZFYJANHEJNDNS-ULQDDVLXSA-N 1 2 469.612 -0.190 20 0 JBADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](N3CCCC3=O)C2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001510201093 1068610895 /nfs/dbraw/zinc/61/08/95/1068610895.db2.gz YZFYJANHEJNDNS-ULQDDVLXSA-N 1 2 469.612 -0.190 20 0 JBADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](N3CCCC3=O)C2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001510201095 1068610996 /nfs/dbraw/zinc/61/09/96/1068610996.db2.gz YZFYJANHEJNDNS-YESZJQIVSA-N 1 2 469.612 -0.190 20 0 JBADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](N3CCCC3=O)C2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001510201095 1068610990 /nfs/dbraw/zinc/61/09/90/1068610990.db2.gz YZFYJANHEJNDNS-YESZJQIVSA-N 1 2 469.612 -0.190 20 0 JBADLO C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC2(CNC(=O)C2)CC1)[NH+]1CCOCC1 ZINC001510205215 1068611549 /nfs/dbraw/zinc/61/15/49/1068611549.db2.gz RWAVQGJDIBKIAC-CVEARBPZSA-N 1 2 469.612 -0.285 20 0 JBADLO C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC2(CNC(=O)C2)CC1)[NH+]1CCOCC1 ZINC001510205218 1068611557 /nfs/dbraw/zinc/61/15/57/1068611557.db2.gz RWAVQGJDIBKIAC-HOTGVXAUSA-N 1 2 469.612 -0.285 20 0 JBADLO C[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC2(CNC(=O)C2)CC1)[NH+]1CCOCC1 ZINC001510205221 1068611617 /nfs/dbraw/zinc/61/16/17/1068611617.db2.gz RWAVQGJDIBKIAC-HZPDHXFCSA-N 1 2 469.612 -0.285 20 0 JBADLO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC3(CNC(=O)C3)CC2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001510205224 1068611569 /nfs/dbraw/zinc/61/15/69/1068611569.db2.gz RWAVQGJDIBKIAC-JKSUJKDBSA-N 1 2 469.612 -0.285 20 0 JBADLO C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)N2CCCC2)CC1)[NH+]1CCOCC1 ZINC001510208365 1068612758 /nfs/dbraw/zinc/61/27/58/1068612758.db2.gz FTGXTBXXZKBJCY-MSOLQXFVSA-N 1 2 498.654 -0.053 20 0 JBADLO C[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)N2CCCC2)CC1)[NH+]1CCOCC1 ZINC001510208366 1068613529 /nfs/dbraw/zinc/61/35/29/1068613529.db2.gz FTGXTBXXZKBJCY-QZTJIDSGSA-N 1 2 498.654 -0.053 20 0 JBADLO C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)N2CCCC2)CC1)[NH+]1CCOCC1 ZINC001510208367 1068613475 /nfs/dbraw/zinc/61/34/75/1068613475.db2.gz FTGXTBXXZKBJCY-ROUUACIJSA-N 1 2 498.654 -0.053 20 0 JBADLO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C(=O)N3CCCC3)CC2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001510208368 1068613520 /nfs/dbraw/zinc/61/35/20/1068613520.db2.gz FTGXTBXXZKBJCY-ZWKOTPCHSA-N 1 2 498.654 -0.053 20 0 JBADLO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C[C@@H]3CCOC3)CC2)n1CC1(S(C)(=O)=O)CC1 ZINC001510212491 1068615425 /nfs/dbraw/zinc/61/54/25/1068615425.db2.gz FBHWGWCRUWEIQE-CVEARBPZSA-N 1 2 490.652 -0.376 20 0 JBADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C[C@@H]3CCOC3)CC2)n1CC1(S(C)(=O)=O)CC1 ZINC001510212498 1068615370 /nfs/dbraw/zinc/61/53/70/1068615370.db2.gz FBHWGWCRUWEIQE-HOTGVXAUSA-N 1 2 490.652 -0.376 20 0 JBADLO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C[C@H]3CCOC3)CC2)n1CC1(S(C)(=O)=O)CC1 ZINC001510212502 1068615416 /nfs/dbraw/zinc/61/54/16/1068615416.db2.gz FBHWGWCRUWEIQE-HZPDHXFCSA-N 1 2 490.652 -0.376 20 0 JBADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C[C@H]3CCOC3)CC2)n1CC1(S(C)(=O)=O)CC1 ZINC001510212506 1068616106 /nfs/dbraw/zinc/61/61/06/1068616106.db2.gz FBHWGWCRUWEIQE-JKSUJKDBSA-N 1 2 490.652 -0.376 20 0 JBADLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@]2(O)CCOC2)CC1 ZINC001510213860 1068616754 /nfs/dbraw/zinc/61/67/54/1068616754.db2.gz WVTGWTNTZHBQMK-CSODHUTKSA-N 1 2 499.638 -0.827 20 0 JBADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)n1C[C@@]1(O)CCOC1 ZINC001510213863 1068617581 /nfs/dbraw/zinc/61/75/81/1068617581.db2.gz WVTGWTNTZHBQMK-FIKGOQFSSA-N 1 2 499.638 -0.827 20 0 JBADLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@]2(O)CCOC2)CC1 ZINC001510213865 1068617677 /nfs/dbraw/zinc/61/76/77/1068617677.db2.gz WVTGWTNTZHBQMK-FVJLSDCUSA-N 1 2 499.638 -0.827 20 0 JBADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)n1C[C@]1(O)CCOC1 ZINC001510213866 1068617643 /nfs/dbraw/zinc/61/76/43/1068617643.db2.gz WVTGWTNTZHBQMK-XGHQBKJUSA-N 1 2 499.638 -0.827 20 0 JBADLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CCc2cn[nH]c2)CC1 ZINC001510214183 1068617477 /nfs/dbraw/zinc/61/74/77/1068617477.db2.gz XGGPFBKISWQUAN-DLBZAZTESA-N 1 2 493.638 -0.013 20 0 JBADLO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)n1CCc1cn[nH]c1 ZINC001510214184 1068617361 /nfs/dbraw/zinc/61/73/61/1068617361.db2.gz XGGPFBKISWQUAN-IAGOWNOFSA-N 1 2 493.638 -0.013 20 0 JBADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)n1CCc1cn[nH]c1 ZINC001510214185 1068617656 /nfs/dbraw/zinc/61/76/56/1068617656.db2.gz XGGPFBKISWQUAN-IRXDYDNUSA-N 1 2 493.638 -0.013 20 0 JBADLO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)n1CCc1cn[nH]c1 ZINC001510214186 1068617681 /nfs/dbraw/zinc/61/76/81/1068617681.db2.gz XGGPFBKISWQUAN-SJORKVTESA-N 1 2 493.638 -0.013 20 0 JBADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](CC3CC3)CC2)n1CC1(S(C)(=O)=O)CC1 ZINC001510214383 1068618853 /nfs/dbraw/zinc/61/88/53/1068618853.db2.gz NXGZLNBNWFCYEN-AWEZNQCLSA-N 1 2 460.626 -0.003 20 0 JBADLO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](CC3CC3)CC2)n1CC1(S(C)(=O)=O)CC1 ZINC001510214385 1068618714 /nfs/dbraw/zinc/61/87/14/1068618714.db2.gz NXGZLNBNWFCYEN-CQSZACIVSA-N 1 2 460.626 -0.003 20 0 JBADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C3CCOCC3)CC2)n1CCS(C)(=O)=O ZINC001510215421 1068620116 /nfs/dbraw/zinc/62/01/16/1068620116.db2.gz USLXGWJRWCISDD-AWEZNQCLSA-N 1 2 464.614 -0.766 20 0 JBADLO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C3CCOCC3)CC2)n1CCS(C)(=O)=O ZINC001510215422 1068620203 /nfs/dbraw/zinc/62/02/03/1068620203.db2.gz USLXGWJRWCISDD-CQSZACIVSA-N 1 2 464.614 -0.766 20 0 JBADLO CC(C)N1CCO[C@@H](C[NH+]2CCN(c3nnc([C@@H](C)NS(C)(=O)=O)n3CC3(O)CC3)CC2)C1 ZINC001510216394 1068621592 /nfs/dbraw/zinc/62/15/92/1068621592.db2.gz ZDGDZKCSLNYCJB-MSOLQXFVSA-N 1 2 485.655 -0.356 20 0 JBADLO CC(C)N1CCO[C@H](C[NH+]2CCN(c3nnc([C@@H](C)NS(C)(=O)=O)n3CC3(O)CC3)CC2)C1 ZINC001510216397 1068621491 /nfs/dbraw/zinc/62/14/91/1068621491.db2.gz ZDGDZKCSLNYCJB-QZTJIDSGSA-N 1 2 485.655 -0.356 20 0 JBADLO CC(C)N1CCO[C@@H](C[NH+]2CCN(c3nnc([C@H](C)NS(C)(=O)=O)n3CC3(O)CC3)CC2)C1 ZINC001510216399 1068621549 /nfs/dbraw/zinc/62/15/49/1068621549.db2.gz ZDGDZKCSLNYCJB-ROUUACIJSA-N 1 2 485.655 -0.356 20 0 JBADLO CC(C)N1CCO[C@H](C[NH+]2CCN(c3nnc([C@H](C)NS(C)(=O)=O)n3CC3(O)CC3)CC2)C1 ZINC001510216402 1068621440 /nfs/dbraw/zinc/62/14/40/1068621440.db2.gz ZDGDZKCSLNYCJB-ZWKOTPCHSA-N 1 2 485.655 -0.356 20 0 JBADLO Cc1ccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)CC[NH+]2CCOCC2)c(=O)n1C ZINC001510869583 1068634595 /nfs/dbraw/zinc/63/45/95/1068634595.db2.gz BOVZJEQWZFRMKD-INIZCTEOSA-N 1 2 467.596 -0.288 20 0 JBADLO Cc1ccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)CC[NH+]2CCOCC2)c(=O)n1C ZINC001510869597 1068634614 /nfs/dbraw/zinc/63/46/14/1068634614.db2.gz BOVZJEQWZFRMKD-MRXNPFEDSA-N 1 2 467.596 -0.288 20 0 JBADLO Cc1cccc(CCCn2c(C(=O)NC(C)C)nnc2N2CCN3C(=O)C(=O)NC[C@H]3C2)[nH+]1 ZINC001511156817 1068635118 /nfs/dbraw/zinc/63/51/18/1068635118.db2.gz RJSVDSDVCLGAAB-KRWDZBQOSA-N 1 2 454.535 -0.100 20 0 JBADLO Cc1cccc(CCCn2c(C(=O)NC(C)C)nnc2N2CCN3C(=O)C(=O)NC[C@@H]3C2)[nH+]1 ZINC001511156819 1068635240 /nfs/dbraw/zinc/63/52/40/1068635240.db2.gz RJSVDSDVCLGAAB-QGZVFWFLSA-N 1 2 454.535 -0.100 20 0 JBADLO Cc1nc(N2CCN(c3nnc(C(=O)NC(C)C)n3CC(=O)N3CCOCC3)CC2)cc[nH+]1 ZINC001511593716 1068638426 /nfs/dbraw/zinc/63/84/26/1068638426.db2.gz NAPPWECMYINEEE-UHFFFAOYSA-N 1 2 457.539 -0.300 20 0 JBADLO Cc1cc(C)n(Cc2nnc(N(C)CC[NH+]3CCOCC3)n2CCC[C@@H]2NC(=O)NC2=O)n1 ZINC001511685161 1068640232 /nfs/dbraw/zinc/64/02/32/1068640232.db2.gz KOYXHQBNVXUKMH-KRWDZBQOSA-N 1 2 459.555 -0.104 20 0 JBADLO C[C@H]1CCCCN1C(=O)C[NH+]1CCN(c2nnc(-c3cnccn3)n2CCNS(C)(=O)=O)CC1 ZINC001512155302 1068644854 /nfs/dbraw/zinc/64/48/54/1068644854.db2.gz UEHFPKIAIXAOLU-KRWDZBQOSA-N 1 2 491.622 -0.193 20 0 JBADLO C[C@@H]1CCCCN1C(=O)C[NH+]1CCN(c2nnc(-c3cnccn3)n2CCNS(C)(=O)=O)CC1 ZINC001512155317 1068644915 /nfs/dbraw/zinc/64/49/15/1068644915.db2.gz UEHFPKIAIXAOLU-QGZVFWFLSA-N 1 2 491.622 -0.193 20 0 JBADLO C[C@H]1COCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001512546564 1068653153 /nfs/dbraw/zinc/65/31/53/1068653153.db2.gz LXQRKCPVBJILNU-DLBZAZTESA-N 1 2 472.612 -0.053 20 0 JBADLO C[C@@H]1COCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001512546565 1068652966 /nfs/dbraw/zinc/65/29/66/1068652966.db2.gz LXQRKCPVBJILNU-IAGOWNOFSA-N 1 2 472.612 -0.053 20 0 JBADLO C[C@H]1COCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001512546566 1068653094 /nfs/dbraw/zinc/65/30/94/1068653094.db2.gz LXQRKCPVBJILNU-IRXDYDNUSA-N 1 2 472.612 -0.053 20 0 JBADLO C[C@@H]1COCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC(C)(C)[NH+]1CCOCC1 ZINC001512546567 1068653244 /nfs/dbraw/zinc/65/32/44/1068653244.db2.gz LXQRKCPVBJILNU-SJORKVTESA-N 1 2 472.612 -0.053 20 0 JBADLO C[C@H]1COCC[N@H+]1CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 ZINC001512550810 1068653110 /nfs/dbraw/zinc/65/31/10/1068653110.db2.gz CCFLBTBQVFMIBV-DOTOQJQBSA-N 1 2 469.612 -0.190 20 0 JBADLO C[C@H]1COCC[N@@H+]1CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 ZINC001512550810 1068653105 /nfs/dbraw/zinc/65/31/05/1068653105.db2.gz CCFLBTBQVFMIBV-DOTOQJQBSA-N 1 2 469.612 -0.190 20 0 JBADLO C[C@@H]1COCC[N@H+]1CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 ZINC001512550814 1068653081 /nfs/dbraw/zinc/65/30/81/1068653081.db2.gz CCFLBTBQVFMIBV-NVXWUHKLSA-N 1 2 469.612 -0.190 20 0 JBADLO C[C@@H]1COCC[N@@H+]1CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 ZINC001512550814 1068653077 /nfs/dbraw/zinc/65/30/77/1068653077.db2.gz CCFLBTBQVFMIBV-NVXWUHKLSA-N 1 2 469.612 -0.190 20 0 JBADLO C[C@H]1COCC[N@H+]1CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 ZINC001512550818 1068653175 /nfs/dbraw/zinc/65/31/75/1068653175.db2.gz CCFLBTBQVFMIBV-RDJZCZTQSA-N 1 2 469.612 -0.190 20 0 JBADLO C[C@H]1COCC[N@@H+]1CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 ZINC001512550818 1068653171 /nfs/dbraw/zinc/65/31/71/1068653171.db2.gz CCFLBTBQVFMIBV-RDJZCZTQSA-N 1 2 469.612 -0.190 20 0 JBADLO C[C@@H]1COCC[N@H+]1CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 ZINC001512550823 1068653262 /nfs/dbraw/zinc/65/32/62/1068653262.db2.gz CCFLBTBQVFMIBV-WBVHZDCISA-N 1 2 469.612 -0.190 20 0 JBADLO C[C@@H]1COCC[N@@H+]1CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(N(C)S(C)(=O)=O)CC1 ZINC001512550823 1068653258 /nfs/dbraw/zinc/65/32/58/1068653258.db2.gz CCFLBTBQVFMIBV-WBVHZDCISA-N 1 2 469.612 -0.190 20 0 JBADLO C[C@@H](CC(N)=O)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[N@H+]1CCOC[C@H]1C ZINC001512557027 1068653141 /nfs/dbraw/zinc/65/31/41/1068653141.db2.gz RTUDJQUHCXLWIP-ARFHVFGLSA-N 1 2 473.600 -0.968 20 0 JBADLO C[C@@H](CC(N)=O)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001512557027 1068653133 /nfs/dbraw/zinc/65/31/33/1068653133.db2.gz RTUDJQUHCXLWIP-ARFHVFGLSA-N 1 2 473.600 -0.968 20 0 JBADLO C[C@H](CC(N)=O)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[N@H+]1CCOC[C@H]1C ZINC001512557029 1068653221 /nfs/dbraw/zinc/65/32/21/1068653221.db2.gz RTUDJQUHCXLWIP-BZUAXINKSA-N 1 2 473.600 -0.968 20 0 JBADLO C[C@H](CC(N)=O)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001512557029 1068653206 /nfs/dbraw/zinc/65/32/06/1068653206.db2.gz RTUDJQUHCXLWIP-BZUAXINKSA-N 1 2 473.600 -0.968 20 0 JBADLO C[C@H](CC(N)=O)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[N@H+]1CCOC[C@H]1C ZINC001512557032 1068653975 /nfs/dbraw/zinc/65/39/75/1068653975.db2.gz RTUDJQUHCXLWIP-OAGGEKHMSA-N 1 2 473.600 -0.968 20 0 JBADLO C[C@H](CC(N)=O)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001512557032 1068653970 /nfs/dbraw/zinc/65/39/70/1068653970.db2.gz RTUDJQUHCXLWIP-OAGGEKHMSA-N 1 2 473.600 -0.968 20 0 JBADLO C[C@@H](CC(N)=O)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[N@H+]1CCOC[C@H]1C ZINC001512557034 1068653871 /nfs/dbraw/zinc/65/38/71/1068653871.db2.gz RTUDJQUHCXLWIP-XHSDSOJGSA-N 1 2 473.600 -0.968 20 0 JBADLO C[C@@H](CC(N)=O)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001512557034 1068653866 /nfs/dbraw/zinc/65/38/66/1068653866.db2.gz RTUDJQUHCXLWIP-XHSDSOJGSA-N 1 2 473.600 -0.968 20 0 JBADLO C[C@H]1COCC[N@H+]1CCn1c(CN2CCCC2=O)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 ZINC001512557036 1068653898 /nfs/dbraw/zinc/65/38/98/1068653898.db2.gz RTWBQYLPMPKZSQ-KRWDZBQOSA-N 1 2 483.639 -0.019 20 0 JBADLO C[C@H]1COCC[N@@H+]1CCn1c(CN2CCCC2=O)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 ZINC001512557036 1068653894 /nfs/dbraw/zinc/65/38/94/1068653894.db2.gz RTWBQYLPMPKZSQ-KRWDZBQOSA-N 1 2 483.639 -0.019 20 0 JBADLO C[C@@H]1COCC[N@H+]1CCn1c(CN2CCCC2=O)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 ZINC001512557039 1068653856 /nfs/dbraw/zinc/65/38/56/1068653856.db2.gz RTWBQYLPMPKZSQ-QGZVFWFLSA-N 1 2 483.639 -0.019 20 0 JBADLO C[C@@H]1COCC[N@@H+]1CCn1c(CN2CCCC2=O)nnc1N(C)C1CCN(S(C)(=O)=O)CC1 ZINC001512557039 1068653852 /nfs/dbraw/zinc/65/38/52/1068653852.db2.gz RTWBQYLPMPKZSQ-QGZVFWFLSA-N 1 2 483.639 -0.019 20 0 JBADLO CC[C@H](C)c1nnc(N2CCN(C(=O)CN3CCOCC3)CC2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001513002856 1068658392 /nfs/dbraw/zinc/65/83/92/1068658392.db2.gz KNNYUUPOYKDUGM-FQEVSTJZSA-N 1 2 490.653 -0.064 20 0 JBADLO CC[C@@H](C)c1nnc(N2CCN(C(=O)CN3CCOCC3)CC2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001513002858 1068658257 /nfs/dbraw/zinc/65/82/57/1068658257.db2.gz KNNYUUPOYKDUGM-HXUWFJFHSA-N 1 2 490.653 -0.064 20 0 JBADLO CC[C@H]1C(=O)NCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1([NH+]2CCOCC2)CC1 ZINC001513980660 1068670256 /nfs/dbraw/zinc/67/02/56/1068670256.db2.gz QHJVSCVDJCWGNF-CABCVRRESA-N 1 2 455.585 -0.532 20 0 JBADLO CC[C@H]1C(=O)NCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CC1([NH+]2CCOCC2)CC1 ZINC001513980661 1068670442 /nfs/dbraw/zinc/67/04/42/1068670442.db2.gz QHJVSCVDJCWGNF-GJZGRUSLSA-N 1 2 455.585 -0.532 20 0 JBADLO CC[C@@H]1C(=O)NCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1([NH+]2CCOCC2)CC1 ZINC001513980662 1068670464 /nfs/dbraw/zinc/67/04/64/1068670464.db2.gz QHJVSCVDJCWGNF-HUUCEWRRSA-N 1 2 455.585 -0.532 20 0 JBADLO CC[C@@H]1C(=O)NCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1CC1([NH+]2CCOCC2)CC1 ZINC001513980664 1068670410 /nfs/dbraw/zinc/67/04/10/1068670410.db2.gz QHJVSCVDJCWGNF-LSDHHAIUSA-N 1 2 455.585 -0.532 20 0 JBADLO CC[C@@H]1C(=O)NCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc[nH+]c1N1CCOCC1 ZINC001513982441 1068670391 /nfs/dbraw/zinc/67/03/91/1068670391.db2.gz WFIBPFGJFNMPCA-DOTOQJQBSA-N 1 2 492.606 -0.117 20 0 JBADLO CC[C@@H]1C(=O)NCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc[nH+]c1N1CCOCC1 ZINC001513982450 1068670429 /nfs/dbraw/zinc/67/04/29/1068670429.db2.gz WFIBPFGJFNMPCA-NVXWUHKLSA-N 1 2 492.606 -0.117 20 0 JBADLO CC[C@H]1C(=O)NCCN1c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc[nH+]c1N1CCOCC1 ZINC001513982452 1068670383 /nfs/dbraw/zinc/67/03/83/1068670383.db2.gz WFIBPFGJFNMPCA-RDJZCZTQSA-N 1 2 492.606 -0.117 20 0 JBADLO CC[C@H]1C(=O)NCCN1c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc[nH+]c1N1CCOCC1 ZINC001513982456 1068670369 /nfs/dbraw/zinc/67/03/69/1068670369.db2.gz WFIBPFGJFNMPCA-WBVHZDCISA-N 1 2 492.606 -0.117 20 0 JBADLO CC[C@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC(=O)N2CCOCC2)CC[N@H+]1CCOC ZINC001514166096 1068671829 /nfs/dbraw/zinc/67/18/29/1068671829.db2.gz SFYTUBNAYCQVOK-MOPGFXCFSA-N 1 2 498.650 -0.024 20 0 JBADLO CC[C@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC(=O)N2CCOCC2)CC[N@@H+]1CCOC ZINC001514166096 1068671828 /nfs/dbraw/zinc/67/18/28/1068671828.db2.gz SFYTUBNAYCQVOK-MOPGFXCFSA-N 1 2 498.650 -0.024 20 0 JBADLO CC[C@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC(=O)N2CCOCC2)CC[N@H+]1CCOC ZINC001514166103 1068671878 /nfs/dbraw/zinc/67/18/78/1068671878.db2.gz SFYTUBNAYCQVOK-OALUTQOASA-N 1 2 498.650 -0.024 20 0 JBADLO CC[C@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC(=O)N2CCOCC2)CC[N@@H+]1CCOC ZINC001514166103 1068671869 /nfs/dbraw/zinc/67/18/69/1068671869.db2.gz SFYTUBNAYCQVOK-OALUTQOASA-N 1 2 498.650 -0.024 20 0 JBADLO CC[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC(=O)N2CCOCC2)CC[N@H+]1CCOC ZINC001514166106 1068672932 /nfs/dbraw/zinc/67/29/32/1068672932.db2.gz SFYTUBNAYCQVOK-RBUKOAKNSA-N 1 2 498.650 -0.024 20 0 JBADLO CC[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC(=O)N2CCOCC2)CC[N@@H+]1CCOC ZINC001514166106 1068672929 /nfs/dbraw/zinc/67/29/29/1068672929.db2.gz SFYTUBNAYCQVOK-RBUKOAKNSA-N 1 2 498.650 -0.024 20 0 JBADLO CC[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC(=O)N2CCOCC2)CC[N@H+]1CCOC ZINC001514166109 1068672714 /nfs/dbraw/zinc/67/27/14/1068672714.db2.gz SFYTUBNAYCQVOK-RTBURBONSA-N 1 2 498.650 -0.024 20 0 JBADLO CC[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC(=O)N2CCOCC2)CC[N@@H+]1CCOC ZINC001514166109 1068672705 /nfs/dbraw/zinc/67/27/05/1068672705.db2.gz SFYTUBNAYCQVOK-RTBURBONSA-N 1 2 498.650 -0.024 20 0 JBADLO CC[C@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCNS(C)(=O)=O)CC[N@H+]1CCOC ZINC001514170551 1068672865 /nfs/dbraw/zinc/67/28/65/1068672865.db2.gz ZUEYESRRNNCFJM-CVEARBPZSA-N 1 2 478.641 -0.724 20 0 JBADLO CC[C@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCNS(C)(=O)=O)CC[N@@H+]1CCOC ZINC001514170551 1068672863 /nfs/dbraw/zinc/67/28/63/1068672863.db2.gz ZUEYESRRNNCFJM-CVEARBPZSA-N 1 2 478.641 -0.724 20 0 JBADLO CC[C@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCNS(C)(=O)=O)CC[N@H+]1CCOC ZINC001514170554 1068672808 /nfs/dbraw/zinc/67/28/08/1068672808.db2.gz ZUEYESRRNNCFJM-HOTGVXAUSA-N 1 2 478.641 -0.724 20 0 JBADLO CC[C@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCNS(C)(=O)=O)CC[N@@H+]1CCOC ZINC001514170554 1068672802 /nfs/dbraw/zinc/67/28/02/1068672802.db2.gz ZUEYESRRNNCFJM-HOTGVXAUSA-N 1 2 478.641 -0.724 20 0 JBADLO CC[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCNS(C)(=O)=O)CC[N@H+]1CCOC ZINC001514170558 1068672918 /nfs/dbraw/zinc/67/29/18/1068672918.db2.gz ZUEYESRRNNCFJM-HZPDHXFCSA-N 1 2 478.641 -0.724 20 0 JBADLO CC[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCNS(C)(=O)=O)CC[N@@H+]1CCOC ZINC001514170558 1068672914 /nfs/dbraw/zinc/67/29/14/1068672914.db2.gz ZUEYESRRNNCFJM-HZPDHXFCSA-N 1 2 478.641 -0.724 20 0 JBADLO CC[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCNS(C)(=O)=O)CC[N@H+]1CCOC ZINC001514170561 1068672783 /nfs/dbraw/zinc/67/27/83/1068672783.db2.gz ZUEYESRRNNCFJM-JKSUJKDBSA-N 1 2 478.641 -0.724 20 0 JBADLO CC[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCNS(C)(=O)=O)CC[N@@H+]1CCOC ZINC001514170561 1068672776 /nfs/dbraw/zinc/67/27/76/1068672776.db2.gz ZUEYESRRNNCFJM-JKSUJKDBSA-N 1 2 478.641 -0.724 20 0 JBADLO CCC[C@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(=O)N2CCOCC2)CC[N@H+]1CCOC ZINC001514387485 1068674806 /nfs/dbraw/zinc/67/48/06/1068674806.db2.gz VQUSFGTVBCODNM-MOPGFXCFSA-N 1 2 498.650 -0.024 20 0 JBADLO CCC[C@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(=O)N2CCOCC2)CC[N@@H+]1CCOC ZINC001514387485 1068674781 /nfs/dbraw/zinc/67/47/81/1068674781.db2.gz VQUSFGTVBCODNM-MOPGFXCFSA-N 1 2 498.650 -0.024 20 0 JBADLO CCC[C@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(=O)N2CCOCC2)CC[N@H+]1CCOC ZINC001514387488 1068674951 /nfs/dbraw/zinc/67/49/51/1068674951.db2.gz VQUSFGTVBCODNM-OALUTQOASA-N 1 2 498.650 -0.024 20 0 JBADLO CCC[C@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(=O)N2CCOCC2)CC[N@@H+]1CCOC ZINC001514387488 1068674946 /nfs/dbraw/zinc/67/49/46/1068674946.db2.gz VQUSFGTVBCODNM-OALUTQOASA-N 1 2 498.650 -0.024 20 0 JBADLO CCC[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(=O)N2CCOCC2)CC[N@H+]1CCOC ZINC001514387491 1068674855 /nfs/dbraw/zinc/67/48/55/1068674855.db2.gz VQUSFGTVBCODNM-RBUKOAKNSA-N 1 2 498.650 -0.024 20 0 JBADLO CCC[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CC(=O)N2CCOCC2)CC[N@@H+]1CCOC ZINC001514387491 1068674840 /nfs/dbraw/zinc/67/48/40/1068674840.db2.gz VQUSFGTVBCODNM-RBUKOAKNSA-N 1 2 498.650 -0.024 20 0 JBADLO CCC[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(=O)N2CCOCC2)CC[N@H+]1CCOC ZINC001514387494 1068675165 /nfs/dbraw/zinc/67/51/65/1068675165.db2.gz VQUSFGTVBCODNM-RTBURBONSA-N 1 2 498.650 -0.024 20 0 JBADLO CCC[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CC(=O)N2CCOCC2)CC[N@@H+]1CCOC ZINC001514387494 1068675152 /nfs/dbraw/zinc/67/51/52/1068675152.db2.gz VQUSFGTVBCODNM-RTBURBONSA-N 1 2 498.650 -0.024 20 0 JBADLO CCCNC(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001515115527 1068681205 /nfs/dbraw/zinc/68/12/05/1068681205.db2.gz XDLJWEBNOPZASZ-KRWDZBQOSA-N 1 2 492.606 -0.141 20 0 JBADLO CCCNC(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001515115530 1068681263 /nfs/dbraw/zinc/68/12/63/1068681263.db2.gz XDLJWEBNOPZASZ-QGZVFWFLSA-N 1 2 492.606 -0.141 20 0 JBADLO CCN(C)C(=O)Cn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001515298732 1068683607 /nfs/dbraw/zinc/68/36/07/1068683607.db2.gz DGUPEBSAYPGXED-INIZCTEOSA-N 1 2 454.597 -0.041 20 0 JBADLO CCN(C)C(=O)Cn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001515298735 1068683663 /nfs/dbraw/zinc/68/36/63/1068683663.db2.gz DGUPEBSAYPGXED-MRXNPFEDSA-N 1 2 454.597 -0.041 20 0 JBADLO CCN(CC)c1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCNC(=O)C2)c[nH+]1 ZINC001515533032 1068689506 /nfs/dbraw/zinc/68/95/06/1068689506.db2.gz VEDKDZNKJRIPRY-KRWDZBQOSA-N 1 2 492.606 -0.163 20 0 JBADLO CCN(CC)c1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCNC(=O)C2)c[nH+]1 ZINC001515533034 1068689422 /nfs/dbraw/zinc/68/94/22/1068689422.db2.gz VEDKDZNKJRIPRY-QGZVFWFLSA-N 1 2 492.606 -0.163 20 0 JBADLO CCN(Cc1cnn(C)c1)c1nnc([C@H](C)NS(C)(=O)=O)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001515638849 1068692023 /nfs/dbraw/zinc/69/20/23/1068692023.db2.gz QWOFQZYDVFJMFW-INIZCTEOSA-N 1 2 481.627 -0.188 20 0 JBADLO CCN(Cc1cnn(C)c1)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001515638853 1068691949 /nfs/dbraw/zinc/69/19/49/1068691949.db2.gz QWOFQZYDVFJMFW-MRXNPFEDSA-N 1 2 481.627 -0.188 20 0 JBADLO CCN1CCCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@H+]2CCOC[C@H]2C)CC1=O ZINC001515887897 1068704611 /nfs/dbraw/zinc/70/46/11/1068704611.db2.gz NXJBEVUONSIMII-MSOLQXFVSA-N 1 2 499.638 -0.610 20 0 JBADLO CCN1CCCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@@H+]2CCOC[C@H]2C)CC1=O ZINC001515887897 1068704603 /nfs/dbraw/zinc/70/46/03/1068704603.db2.gz NXJBEVUONSIMII-MSOLQXFVSA-N 1 2 499.638 -0.610 20 0 JBADLO CCN1CCCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@H+]2CCOC[C@H]2C)CC1=O ZINC001515887898 1068704478 /nfs/dbraw/zinc/70/44/78/1068704478.db2.gz NXJBEVUONSIMII-QZTJIDSGSA-N 1 2 499.638 -0.610 20 0 JBADLO CCN1CCCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@@H+]2CCOC[C@H]2C)CC1=O ZINC001515887898 1068704469 /nfs/dbraw/zinc/70/44/69/1068704469.db2.gz NXJBEVUONSIMII-QZTJIDSGSA-N 1 2 499.638 -0.610 20 0 JBADLO CCN1CCCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@H+]2CCOC[C@@H]2C)CC1=O ZINC001515887899 1068704716 /nfs/dbraw/zinc/70/47/16/1068704716.db2.gz NXJBEVUONSIMII-ROUUACIJSA-N 1 2 499.638 -0.610 20 0 JBADLO CCN1CCCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@@H+]2CCOC[C@@H]2C)CC1=O ZINC001515887899 1068704705 /nfs/dbraw/zinc/70/47/05/1068704705.db2.gz NXJBEVUONSIMII-ROUUACIJSA-N 1 2 499.638 -0.610 20 0 JBADLO CCN1CCCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@H+]2CCOC[C@@H]2C)CC1=O ZINC001515887900 1068704672 /nfs/dbraw/zinc/70/46/72/1068704672.db2.gz NXJBEVUONSIMII-ZWKOTPCHSA-N 1 2 499.638 -0.610 20 0 JBADLO CCN1CCCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@@H+]2CCOC[C@@H]2C)CC1=O ZINC001515887900 1068704668 /nfs/dbraw/zinc/70/46/68/1068704668.db2.gz NXJBEVUONSIMII-ZWKOTPCHSA-N 1 2 499.638 -0.610 20 0 JBADLO CC[N@H+]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC[C@@H]2NC(=O)NC2=O)C[C@H]1C ZINC001515916818 1068707398 /nfs/dbraw/zinc/70/73/98/1068707398.db2.gz FBGORRZQERVVMO-ILXRZTDVSA-N 1 2 453.569 -0.301 20 0 JBADLO CC[N@@H+]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC[C@@H]2NC(=O)NC2=O)C[C@H]1C ZINC001515916818 1068707383 /nfs/dbraw/zinc/70/73/83/1068707383.db2.gz FBGORRZQERVVMO-ILXRZTDVSA-N 1 2 453.569 -0.301 20 0 JBADLO CC[N@H+]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC[C@@H]2NC(=O)NC2=O)C[C@H]1C ZINC001515916819 1068706912 /nfs/dbraw/zinc/70/69/12/1068706912.db2.gz FBGORRZQERVVMO-KFWWJZLASA-N 1 2 453.569 -0.301 20 0 JBADLO CC[N@@H+]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC[C@@H]2NC(=O)NC2=O)C[C@H]1C ZINC001515916819 1068706903 /nfs/dbraw/zinc/70/69/03/1068706903.db2.gz FBGORRZQERVVMO-KFWWJZLASA-N 1 2 453.569 -0.301 20 0 JBADLO CC[N@H+]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC[C@@H]2NC(=O)NC2=O)C[C@@H]1C ZINC001515916820 1068707549 /nfs/dbraw/zinc/70/75/49/1068707549.db2.gz FBGORRZQERVVMO-KKUMJFAQSA-N 1 2 453.569 -0.301 20 0 JBADLO CC[N@@H+]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC[C@@H]2NC(=O)NC2=O)C[C@@H]1C ZINC001515916820 1068707538 /nfs/dbraw/zinc/70/75/38/1068707538.db2.gz FBGORRZQERVVMO-KKUMJFAQSA-N 1 2 453.569 -0.301 20 0 JBADLO CC[N@H+]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC[C@@H]2NC(=O)NC2=O)C[C@@H]1C ZINC001515916821 1068707071 /nfs/dbraw/zinc/70/70/71/1068707071.db2.gz FBGORRZQERVVMO-ZNMIVQPWSA-N 1 2 453.569 -0.301 20 0 JBADLO CC[N@@H+]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC[C@@H]2NC(=O)NC2=O)C[C@@H]1C ZINC001515916821 1068707063 /nfs/dbraw/zinc/70/70/63/1068707063.db2.gz FBGORRZQERVVMO-ZNMIVQPWSA-N 1 2 453.569 -0.301 20 0 JBADLO CCN1CC[NH+]([C@H]2CCN(c3nnc(C(=O)N4CCCC4)n3CCS(=O)(=O)NC)C2)CC1 ZINC001515927532 1068708434 /nfs/dbraw/zinc/70/84/34/1068708434.db2.gz MSJDDDLIHQUIAF-KRWDZBQOSA-N 1 2 468.628 -0.721 20 0 JBADLO CCN1CC[NH+]([C@@H]2CCN(c3nnc(C(=O)N4CCCC4)n3CCS(=O)(=O)NC)C2)CC1 ZINC001515927537 1068707966 /nfs/dbraw/zinc/70/79/66/1068707966.db2.gz MSJDDDLIHQUIAF-QGZVFWFLSA-N 1 2 468.628 -0.721 20 0 JBADLO CCNC(=O)N1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2([NH+]3CCOCC3)CC2)CC1 ZINC001516000180 1068716229 /nfs/dbraw/zinc/71/62/29/1068716229.db2.gz LGKFJNDIZOAIFB-INIZCTEOSA-N 1 2 484.627 -0.395 20 0 JBADLO CCNC(=O)N1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2([NH+]3CCOCC3)CC2)CC1 ZINC001516000183 1068716115 /nfs/dbraw/zinc/71/61/15/1068716115.db2.gz LGKFJNDIZOAIFB-MRXNPFEDSA-N 1 2 484.627 -0.395 20 0 JBADLO CCNC(=O)CN1CCN(c2nnc(C(=O)N3CCCC3)n2CC(C)(C)[NH+]2CCOCC2)CC1 ZINC001516015467 1068718639 /nfs/dbraw/zinc/71/86/39/1068718639.db2.gz KZDIGOZCJXAYHK-UHFFFAOYSA-N 1 2 476.626 -0.117 20 0 JBADLO CCNC(=O)N1CCN(c2nnc(CN3CCCC3=O)n2CC[NH+]2CCN(C(C)=O)CC2)CC1 ZINC001516016415 1068719139 /nfs/dbraw/zinc/71/91/39/1068719139.db2.gz JROVBZRUDMMEOR-UHFFFAOYSA-N 1 2 475.598 -0.584 20 0 JBADLO CCNS(=O)(=O)[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](C)[NH+]2CCOCC2)C1 ZINC001516018866 1068719052 /nfs/dbraw/zinc/71/90/52/1068719052.db2.gz URFRYWDRGSGADC-ARFHVFGLSA-N 1 2 455.585 -0.532 20 0 JBADLO CCNS(=O)(=O)[C@@H]1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](C)[NH+]2CCOCC2)C1 ZINC001516018873 1068719863 /nfs/dbraw/zinc/71/98/63/1068719863.db2.gz URFRYWDRGSGADC-BZUAXINKSA-N 1 2 455.585 -0.532 20 0 JBADLO CCNS(=O)(=O)[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](C)[NH+]2CCOCC2)C1 ZINC001516018877 1068719745 /nfs/dbraw/zinc/71/97/45/1068719745.db2.gz URFRYWDRGSGADC-OAGGEKHMSA-N 1 2 455.585 -0.532 20 0 JBADLO CCNS(=O)(=O)[C@@H]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](C)[NH+]2CCOCC2)C1 ZINC001516018880 1068719781 /nfs/dbraw/zinc/71/97/81/1068719781.db2.gz URFRYWDRGSGADC-XHSDSOJGSA-N 1 2 455.585 -0.532 20 0 JBADLO CCNS(=O)(=O)[C@@H]1CCN(c2nnc(CC3CC3)n2CC[NH+]2CCN(C(C)=O)CC2)C1 ZINC001516024810 1068720921 /nfs/dbraw/zinc/72/09/21/1068720921.db2.gz NAFWJFCPCRUXHG-GOSISDBHSA-N 1 2 453.613 -0.087 20 0 JBADLO CCNS(=O)(=O)[C@H]1CCN(c2nnc(CC3CC3)n2CC[NH+]2CCN(C(C)=O)CC2)C1 ZINC001516024811 1068720835 /nfs/dbraw/zinc/72/08/35/1068720835.db2.gz NAFWJFCPCRUXHG-SFHVURJKSA-N 1 2 453.613 -0.087 20 0 JBADLO CCO[C@]1(c2nnc(N(C)C[C@H](C)C(=O)NC)n2CC[NH+]2CCN(C(C)=O)CC2)CCOC1 ZINC001516139236 1068723125 /nfs/dbraw/zinc/72/31/25/1068723125.db2.gz KQINYUFEYFVYHH-HTAPYJJXSA-N 1 2 465.599 -0.087 20 0 JBADLO CCO[C@@]1(c2nnc(N(C)C[C@H](C)C(=O)NC)n2CC[NH+]2CCN(C(C)=O)CC2)CCOC1 ZINC001516139237 1068723252 /nfs/dbraw/zinc/72/32/52/1068723252.db2.gz KQINYUFEYFVYHH-JTSKRJEESA-N 1 2 465.599 -0.087 20 0 JBADLO CCO[C@]1(c2nnc(N(C)C[C@@H](C)C(=O)NC)n2CC[NH+]2CCN(C(C)=O)CC2)CCOC1 ZINC001516139238 1068722941 /nfs/dbraw/zinc/72/29/41/1068722941.db2.gz KQINYUFEYFVYHH-VGOFRKELSA-N 1 2 465.599 -0.087 20 0 JBADLO CCO[C@@]1(c2nnc(N(C)C[C@@H](C)C(=O)NC)n2CC[NH+]2CCN(C(C)=O)CC2)CCOC1 ZINC001516139239 1068723174 /nfs/dbraw/zinc/72/31/74/1068723174.db2.gz KQINYUFEYFVYHH-VGSWGCGISA-N 1 2 465.599 -0.087 20 0 JBADLO CCO[C@]1(c2nnc(N3CCN(C(=O)OC)CC3)n2CC[NH+]2CCN(C(C)=O)CC2)CCOC1 ZINC001516209339 1068726712 /nfs/dbraw/zinc/72/67/12/1068726712.db2.gz HFHYVCBEGQXIGZ-JOCHJYFZSA-N 1 2 479.582 -0.017 20 0 JBADLO CCO[C@@]1(c2nnc(N3CCN(C(=O)OC)CC3)n2CC[NH+]2CCN(C(C)=O)CC2)CCOC1 ZINC001516209340 1068726732 /nfs/dbraw/zinc/72/67/32/1068726732.db2.gz HFHYVCBEGQXIGZ-QFIPXVFZSA-N 1 2 479.582 -0.017 20 0 JBADLO CCO[C@]1(c2nnc(N3CCO[C@@H](CNC(C)=O)C3)n2C[C@H](C)[NH+]2CCOCC2)CCOC1 ZINC001516217553 1068727387 /nfs/dbraw/zinc/72/73/87/1068727387.db2.gz BIGCENFPTQBEHK-LQBOVUBWSA-N 1 2 466.583 -0.008 20 0 JBADLO CCO[C@]1(c2nnc(N3CCO[C@H](CNC(C)=O)C3)n2C[C@H](C)[NH+]2CCOCC2)CCOC1 ZINC001516217596 1068727438 /nfs/dbraw/zinc/72/74/38/1068727438.db2.gz BIGCENFPTQBEHK-LRXVAGHRSA-N 1 2 466.583 -0.008 20 0 JBADLO CCO[C@]1(c2nnc(N3CCO[C@H](CNC(C)=O)C3)n2C[C@@H](C)[NH+]2CCOCC2)CCOC1 ZINC001516217602 1068727322 /nfs/dbraw/zinc/72/73/22/1068727322.db2.gz BIGCENFPTQBEHK-SFGWALBWSA-N 1 2 466.583 -0.008 20 0 JBADLO CCO[C@]1(c2nnc(N3CCO[C@@H](CNC(C)=O)C3)n2C[C@@H](C)[NH+]2CCOCC2)CCOC1 ZINC001516217606 1068727407 /nfs/dbraw/zinc/72/74/07/1068727407.db2.gz BIGCENFPTQBEHK-ZWCUEREDSA-N 1 2 466.583 -0.008 20 0 JBADLO CCO[C@@]1(c2nnc(N3CCN(CCOC)C(=O)C3)n2CC[N@H+]2CCOC[C@@H]2C)CCOC1 ZINC001516218449 1068727226 /nfs/dbraw/zinc/72/72/26/1068727226.db2.gz CJQUJDJVZBNKGH-AVRDEDQJSA-N 1 2 466.583 -0.054 20 0 JBADLO CCO[C@@]1(c2nnc(N3CCN(CCOC)C(=O)C3)n2CC[N@@H+]2CCOC[C@@H]2C)CCOC1 ZINC001516218449 1068727216 /nfs/dbraw/zinc/72/72/16/1068727216.db2.gz CJQUJDJVZBNKGH-AVRDEDQJSA-N 1 2 466.583 -0.054 20 0 JBADLO CCO[C@@]1(c2nnc(N3CCN(CCOC)C(=O)C3)n2CC[N@H+]2CCOC[C@H]2C)CCOC1 ZINC001516218513 1068727351 /nfs/dbraw/zinc/72/73/51/1068727351.db2.gz CJQUJDJVZBNKGH-GCJKJVERSA-N 1 2 466.583 -0.054 20 0 JBADLO CCO[C@@]1(c2nnc(N3CCN(CCOC)C(=O)C3)n2CC[N@@H+]2CCOC[C@H]2C)CCOC1 ZINC001516218513 1068727341 /nfs/dbraw/zinc/72/73/41/1068727341.db2.gz CJQUJDJVZBNKGH-GCJKJVERSA-N 1 2 466.583 -0.054 20 0 JBADLO CCO[C@]1(c2nnc(N3CCN(CCOC)C(=O)C3)n2CC[N@H+]2CCOC[C@@H]2C)CCOC1 ZINC001516218522 1068727822 /nfs/dbraw/zinc/72/78/22/1068727822.db2.gz CJQUJDJVZBNKGH-PGRDOPGGSA-N 1 2 466.583 -0.054 20 0 JBADLO CCO[C@]1(c2nnc(N3CCN(CCOC)C(=O)C3)n2CC[N@@H+]2CCOC[C@@H]2C)CCOC1 ZINC001516218522 1068727814 /nfs/dbraw/zinc/72/78/14/1068727814.db2.gz CJQUJDJVZBNKGH-PGRDOPGGSA-N 1 2 466.583 -0.054 20 0 JBADLO CCO[C@]1(c2nnc(N3CCN(CCOC)C(=O)C3)n2CC[N@H+]2CCOC[C@H]2C)CCOC1 ZINC001516218529 1068727980 /nfs/dbraw/zinc/72/79/80/1068727980.db2.gz CJQUJDJVZBNKGH-XMSQKQJNSA-N 1 2 466.583 -0.054 20 0 JBADLO CCO[C@]1(c2nnc(N3CCN(CCOC)C(=O)C3)n2CC[N@@H+]2CCOC[C@H]2C)CCOC1 ZINC001516218529 1068727976 /nfs/dbraw/zinc/72/79/76/1068727976.db2.gz CJQUJDJVZBNKGH-XMSQKQJNSA-N 1 2 466.583 -0.054 20 0 JBADLO CCO[C@@]1(c2nnc(N3CCN(S(C)(=O)=O)CC3)n2CC[NH+]2CCN(C(C)=O)CC2)CCOC1 ZINC001516220770 1068727884 /nfs/dbraw/zinc/72/78/84/1068727884.db2.gz GQIYCUTZAOLKQF-NRFANRHFSA-N 1 2 499.638 -0.824 20 0 JBADLO CCO[C@]1(c2nnc(N3CCN(S(C)(=O)=O)CC3)n2CC[NH+]2CCN(C(C)=O)CC2)CCOC1 ZINC001516220783 1068727697 /nfs/dbraw/zinc/72/76/97/1068727697.db2.gz GQIYCUTZAOLKQF-OAQYLSRUSA-N 1 2 499.638 -0.824 20 0 JBADLO CCOCc1nnc(N2CCC(CNS(C)(=O)=O)CC2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001516516566 1068730632 /nfs/dbraw/zinc/73/06/32/1068730632.db2.gz OXYDILDPIHYHQD-UHFFFAOYSA-N 1 2 471.628 -0.256 20 0 JBADLO CCOCc1nnc(N2CCCN(S(C)(=O)=O)CC2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001516575847 1068731047 /nfs/dbraw/zinc/73/10/47/1068731047.db2.gz ZHWQOEIPBJDALT-UHFFFAOYSA-N 1 2 457.601 -0.550 20 0 JBADLO CCOCc1nnc(N2CCN(C(=O)C(=O)N3CCOCC3)CC2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001516578523 1068731629 /nfs/dbraw/zinc/73/16/29/1068731629.db2.gz MCWOMVRXAFLIGT-UHFFFAOYSA-N 1 2 486.577 -0.169 20 0 JBADLO CCOCc1nnc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)n1CCNS(C)(=O)=O ZINC001516588440 1068732252 /nfs/dbraw/zinc/73/22/52/1068732252.db2.gz JAXJKCJJGSOAHR-INIZCTEOSA-N 1 2 457.601 -0.503 20 0 JBADLO CCOCc1nnc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)n1CCNS(C)(=O)=O ZINC001516588471 1068732196 /nfs/dbraw/zinc/73/21/96/1068732196.db2.gz JAXJKCJJGSOAHR-MRXNPFEDSA-N 1 2 457.601 -0.503 20 0 JBADLO CCOCc1nnc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)n1CCC[C@@H]1NC(=O)NC1=O ZINC001516588507 1068732024 /nfs/dbraw/zinc/73/20/24/1068732024.db2.gz JUUXPVVVQKEQSS-IRXDYDNUSA-N 1 2 476.582 -0.064 20 0 JBADLO CCOCc1nnc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)n1CCC[C@@H]1NC(=O)NC1=O ZINC001516588517 1068732097 /nfs/dbraw/zinc/73/20/97/1068732097.db2.gz JUUXPVVVQKEQSS-SJORKVTESA-N 1 2 476.582 -0.064 20 0 JBADLO CCOCc1nnc(N2CCN([C@H](C)C(=O)NC3CC3)CC2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001516590049 1068732274 /nfs/dbraw/zinc/73/22/74/1068732274.db2.gz QMOTYDFKXQAKBR-GOSISDBHSA-N 1 2 476.626 -0.232 20 0 JBADLO CCOCc1nnc(N2CCN([C@@H](C)C(=O)NC3CC3)CC2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001516590054 1068732141 /nfs/dbraw/zinc/73/21/41/1068732141.db2.gz QMOTYDFKXQAKBR-SFHVURJKSA-N 1 2 476.626 -0.232 20 0 JBADLO CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001516813572 1068737059 /nfs/dbraw/zinc/73/70/59/1068737059.db2.gz XUJBPESSUGMXLA-KRWDZBQOSA-N 1 2 454.597 -0.006 20 0 JBADLO CCS(=O)(=O)CCn1c(CN2CCCC2=O)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001516813577 1068736911 /nfs/dbraw/zinc/73/69/11/1068736911.db2.gz XUJBPESSUGMXLA-QGZVFWFLSA-N 1 2 454.597 -0.006 20 0 JBADLO CN(C)C(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001516967802 1068750159 /nfs/dbraw/zinc/75/01/59/1068750159.db2.gz SKDIGPZCYHFUOT-DLBZAZTESA-N 1 2 454.597 -0.183 20 0 JBADLO CN(C)C(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001516967803 1068749977 /nfs/dbraw/zinc/74/99/77/1068749977.db2.gz SKDIGPZCYHFUOT-IAGOWNOFSA-N 1 2 454.597 -0.183 20 0 JBADLO CN(C)C(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001516967804 1068749907 /nfs/dbraw/zinc/74/99/07/1068749907.db2.gz SKDIGPZCYHFUOT-IRXDYDNUSA-N 1 2 454.597 -0.183 20 0 JBADLO CN(C)C(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001516967805 1068750253 /nfs/dbraw/zinc/75/02/53/1068750253.db2.gz SKDIGPZCYHFUOT-SJORKVTESA-N 1 2 454.597 -0.183 20 0 JBADLO CN(C)C(=O)CN1CCN(c2nnc(C(=O)N3CCCC3)n2CC[N@H+]2CCOCC2(C)C)CC1 ZINC001516977557 1068751274 /nfs/dbraw/zinc/75/12/74/1068751274.db2.gz ZSTDGPZGQCEGMQ-UHFFFAOYSA-N 1 2 476.626 -0.165 20 0 JBADLO CN(C)C(=O)CN1CCN(c2nnc(C(=O)N3CCCC3)n2CC[N@@H+]2CCOCC2(C)C)CC1 ZINC001516977557 1068751268 /nfs/dbraw/zinc/75/12/68/1068751268.db2.gz ZSTDGPZGQCEGMQ-UHFFFAOYSA-N 1 2 476.626 -0.165 20 0 JBADLO CN(C)c1[nH+]ccc2c1CCN(c1nnc(CN3CCCC3=O)n1CCNS(C)(=O)=O)C2 ZINC001517008050 1068754189 /nfs/dbraw/zinc/75/41/89/1068754189.db2.gz UMGKLLBASBJLOY-UHFFFAOYSA-N 1 2 462.580 -0.027 20 0 JBADLO CN(C)S(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC001517021645 1068755379 /nfs/dbraw/zinc/75/53/79/1068755379.db2.gz DXRSVIHHAVVZFG-UHFFFAOYSA-N 1 2 478.623 -0.081 20 0 JBADLO CN(CC[NH+]1CCOCC1)c1nnc(C(=O)Nc2ccccn2)n1CCNS(C)(=O)=O ZINC001517327239 1068769049 /nfs/dbraw/zinc/76/90/49/1068769049.db2.gz BQHJEFYIFNWAFE-UHFFFAOYSA-N 1 2 452.541 -0.757 20 0 JBADLO CN(CC[NH+]1CCOCC1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(F)cn1 ZINC001517330575 1068769835 /nfs/dbraw/zinc/76/98/35/1068769835.db2.gz NUGBBNOBNOJCFJ-GOSISDBHSA-N 1 2 483.570 -0.038 20 0 JBADLO CN(CC[NH+]1CCOCC1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1ccc(F)cn1 ZINC001517330598 1068769958 /nfs/dbraw/zinc/76/99/58/1068769958.db2.gz NUGBBNOBNOJCFJ-SFHVURJKSA-N 1 2 483.570 -0.038 20 0 JBADLO CN(CC[NH+]1CCOCC1)c1nnc([C@H]2CCC(=O)N2)n1Cc1cccc(OCC(N)=O)c1 ZINC001517330723 1068769879 /nfs/dbraw/zinc/76/98/79/1068769879.db2.gz OUMYKNCYAZQHBN-GOSISDBHSA-N 1 2 457.535 -0.090 20 0 JBADLO CN(CC[NH+]1CCOCC1)c1nnc([C@@H]2CCC(=O)N2)n1Cc1cccc(OCC(N)=O)c1 ZINC001517330724 1068769907 /nfs/dbraw/zinc/76/99/07/1068769907.db2.gz OUMYKNCYAZQHBN-SFHVURJKSA-N 1 2 457.535 -0.090 20 0 JBADLO CN(CC[NH+]1CCOCC1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)C1CC1 ZINC001517331309 1068769801 /nfs/dbraw/zinc/76/98/01/1068769801.db2.gz SAEUKYDGSARGCN-FXAWDEMLSA-N 1 2 472.612 -0.460 20 0 JBADLO CN(CC[NH+]1CCOCC1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)C1CC1 ZINC001517331340 1068769663 /nfs/dbraw/zinc/76/96/63/1068769663.db2.gz SAEUKYDGSARGCN-PXNSSMCTSA-N 1 2 472.612 -0.460 20 0 JBADLO CN(CC[NH+]1CCOCC1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@](C)(O)C1CC1 ZINC001517331344 1068769749 /nfs/dbraw/zinc/76/97/49/1068769749.db2.gz SAEUKYDGSARGCN-XLIONFOSSA-N 1 2 472.612 -0.460 20 0 JBADLO CN(CC[NH+]1CCOCC1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@](C)(O)C1CC1 ZINC001517331347 1068769709 /nfs/dbraw/zinc/76/97/09/1068769709.db2.gz SAEUKYDGSARGCN-YLJYHZDGSA-N 1 2 472.612 -0.460 20 0 JBADLO CN(CCNS(C)(=O)=O)c1nnc(C(=O)N2CCCC2)n1CC[N@H+]1CCOCC1(C)C ZINC001517332987 1068770639 /nfs/dbraw/zinc/77/06/39/1068770639.db2.gz UPPJORRAMAHXBA-UHFFFAOYSA-N 1 2 457.601 -0.390 20 0 JBADLO CN(CCNS(C)(=O)=O)c1nnc(C(=O)N2CCCC2)n1CC[N@@H+]1CCOCC1(C)C ZINC001517332987 1068770624 /nfs/dbraw/zinc/77/06/24/1068770624.db2.gz UPPJORRAMAHXBA-UHFFFAOYSA-N 1 2 457.601 -0.390 20 0 JBADLO CN(CCNS(C)(=O)=O)c1nnc(CN2CCCC2=O)n1CC1([NH+]2CCOCC2)CC1 ZINC001517338223 1068771715 /nfs/dbraw/zinc/77/17/15/1068771715.db2.gz RFMLVVVTFQEULK-UHFFFAOYSA-N 1 2 455.585 -0.749 20 0 JBADLO CN1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCNc2cccc[nH+]2)CC1=O ZINC001517422142 1068778895 /nfs/dbraw/zinc/77/88/95/1068778895.db2.gz OLYAVDVOOVTCKM-INIZCTEOSA-N 1 2 478.579 -0.213 20 0 JBADLO CN1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCNc2cccc[nH+]2)CC1=O ZINC001517422144 1068778805 /nfs/dbraw/zinc/77/88/05/1068778805.db2.gz OLYAVDVOOVTCKM-MRXNPFEDSA-N 1 2 478.579 -0.213 20 0 JBADLO CNC(=O)[C@H](C)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c[nH+]ccc1OC ZINC001517458153 1068780414 /nfs/dbraw/zinc/78/04/14/1068780414.db2.gz JRFYSDAUAOSFAR-PBHICJAKSA-N 1 2 481.579 -0.119 20 0 JBADLO CNC(=O)[C@H](C)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c[nH+]ccc1OC ZINC001517458159 1068780424 /nfs/dbraw/zinc/78/04/24/1068780424.db2.gz JRFYSDAUAOSFAR-RHSMWYFYSA-N 1 2 481.579 -0.119 20 0 JBADLO CNC(=O)[C@@H](C)CN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c[nH+]ccc1OC ZINC001517458165 1068780384 /nfs/dbraw/zinc/78/03/84/1068780384.db2.gz JRFYSDAUAOSFAR-WMLDXEAASA-N 1 2 481.579 -0.119 20 0 JBADLO CNC(=O)[C@@H](C)CN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1Cc1c[nH+]ccc1OC ZINC001517458169 1068780312 /nfs/dbraw/zinc/78/03/12/1068780312.db2.gz JRFYSDAUAOSFAR-YOEHRIQHSA-N 1 2 481.579 -0.119 20 0 JBADLO CNC(=O)C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@H+]2CCOC[C@H]2C)CC1 ZINC001517529871 1068785290 /nfs/dbraw/zinc/78/52/90/1068785290.db2.gz YAEOAFMWOWJSCQ-AEFFLSMTSA-N 1 2 499.638 -0.706 20 0 JBADLO CNC(=O)C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@@H+]2CCOC[C@H]2C)CC1 ZINC001517529871 1068785284 /nfs/dbraw/zinc/78/52/84/1068785284.db2.gz YAEOAFMWOWJSCQ-AEFFLSMTSA-N 1 2 499.638 -0.706 20 0 JBADLO CNC(=O)C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@H+]2CCOC[C@@H]2C)CC1 ZINC001517529877 1068785735 /nfs/dbraw/zinc/78/57/35/1068785735.db2.gz YAEOAFMWOWJSCQ-FUHWJXTLSA-N 1 2 499.638 -0.706 20 0 JBADLO CNC(=O)C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC001517529877 1068785729 /nfs/dbraw/zinc/78/57/29/1068785729.db2.gz YAEOAFMWOWJSCQ-FUHWJXTLSA-N 1 2 499.638 -0.706 20 0 JBADLO CNC(=O)C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@H+]2CCOC[C@H]2C)CC1 ZINC001517529882 1068785910 /nfs/dbraw/zinc/78/59/10/1068785910.db2.gz YAEOAFMWOWJSCQ-SJLPKXTDSA-N 1 2 499.638 -0.706 20 0 JBADLO CNC(=O)C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@@H+]2CCOC[C@H]2C)CC1 ZINC001517529882 1068785903 /nfs/dbraw/zinc/78/59/03/1068785903.db2.gz YAEOAFMWOWJSCQ-SJLPKXTDSA-N 1 2 499.638 -0.706 20 0 JBADLO CNC(=O)C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@H+]2CCOC[C@@H]2C)CC1 ZINC001517529886 1068785839 /nfs/dbraw/zinc/78/58/39/1068785839.db2.gz YAEOAFMWOWJSCQ-WMZOPIPTSA-N 1 2 499.638 -0.706 20 0 JBADLO CNC(=O)C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC001517529886 1068785834 /nfs/dbraw/zinc/78/58/34/1068785834.db2.gz YAEOAFMWOWJSCQ-WMZOPIPTSA-N 1 2 499.638 -0.706 20 0 JBADLO CNC(=O)[C@H]1CN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC[NH+]2CCN(C(C)=O)CC2)CCO1 ZINC001517535235 1068786859 /nfs/dbraw/zinc/78/68/59/1068786859.db2.gz OQFKFWCENNYYEI-AUSIDOKSSA-N 1 2 493.609 -0.566 20 0 JBADLO CNC(=O)[C@@H]1CN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC[NH+]2CCN(C(C)=O)CC2)CCO1 ZINC001517535245 1068786946 /nfs/dbraw/zinc/78/69/46/1068786946.db2.gz OQFKFWCENNYYEI-CVDCTZTESA-N 1 2 493.609 -0.566 20 0 JBADLO CNC(=O)[C@@H]1CN(c2nnc([C@@]3(OC(C)C)CCOC3)n2CC[NH+]2CCN(C(C)=O)CC2)CCO1 ZINC001517535251 1068786882 /nfs/dbraw/zinc/78/68/82/1068786882.db2.gz OQFKFWCENNYYEI-WMZHIEFXSA-N 1 2 493.609 -0.566 20 0 JBADLO CNC(=O)[C@H]1CN(c2nnc([C@]3(OC(C)C)CCOC3)n2CC[NH+]2CCN(C(C)=O)CC2)CCO1 ZINC001517535256 1068786902 /nfs/dbraw/zinc/78/69/02/1068786902.db2.gz OQFKFWCENNYYEI-XXBNENTESA-N 1 2 493.609 -0.566 20 0 JBADLO CNC(=O)[C@@H]1CN(c2nnc(Cn3nc(C)cc3C)n2CC[NH+]2CCN(C(C)=O)CC2)CCO1 ZINC001517543829 1068790603 /nfs/dbraw/zinc/79/06/03/1068790603.db2.gz IELYVEWOQIFUEW-IBGZPJMESA-N 1 2 473.582 -0.745 20 0 JBADLO CNC(=O)[C@H]1CN(c2nnc(Cn3nc(C)cc3C)n2CC[NH+]2CCN(C(C)=O)CC2)CCO1 ZINC001517543833 1068791146 /nfs/dbraw/zinc/79/11/46/1068791146.db2.gz IELYVEWOQIFUEW-LJQANCHMSA-N 1 2 473.582 -0.745 20 0 JBADLO CNC(=O)[C@@H]1CN(c2nnc(Cc3ccccn3)n2CC[NH+]2CCN(C(C)=O)CC2)CCO1 ZINC001517546749 1068791695 /nfs/dbraw/zinc/79/16/95/1068791695.db2.gz QPTDVTXKNJDFDP-IBGZPJMESA-N 1 2 456.551 -0.621 20 0 JBADLO CNC(=O)[C@H]1CN(c2nnc(Cc3ccccn3)n2CC[NH+]2CCN(C(C)=O)CC2)CCO1 ZINC001517546806 1068791793 /nfs/dbraw/zinc/79/17/93/1068791793.db2.gz QPTDVTXKNJDFDP-LJQANCHMSA-N 1 2 456.551 -0.621 20 0 JBADLO CNC(=O)[C@@H]1CN(c2nnc(Cc3ccccc3OC)n2CC[NH+]2CCN(C(C)=O)CC2)CCO1 ZINC001517547602 1068792169 /nfs/dbraw/zinc/79/21/69/1068792169.db2.gz RNPAONUDSXBUIG-NRFANRHFSA-N 1 2 485.589 -0.007 20 0 JBADLO CNC(=O)[C@H]1CN(c2nnc(Cc3ccccc3OC)n2CC[NH+]2CCN(C(C)=O)CC2)CCO1 ZINC001517547607 1068792310 /nfs/dbraw/zinc/79/23/10/1068792310.db2.gz RNPAONUDSXBUIG-OAQYLSRUSA-N 1 2 485.589 -0.007 20 0 JBADLO CNC(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001517582139 1068794611 /nfs/dbraw/zinc/79/46/11/1068794611.db2.gz DSMJMCJCTPSREF-CVEARBPZSA-N 1 2 484.627 -0.843 20 0 JBADLO CNC(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001517582144 1068794652 /nfs/dbraw/zinc/79/46/52/1068794652.db2.gz DSMJMCJCTPSREF-HOTGVXAUSA-N 1 2 484.627 -0.843 20 0 JBADLO CNC(=O)CCn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001517582145 1068794500 /nfs/dbraw/zinc/79/45/00/1068794500.db2.gz DSMJMCJCTPSREF-HZPDHXFCSA-N 1 2 484.627 -0.843 20 0 JBADLO CNC(=O)CCn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001517582146 1068794375 /nfs/dbraw/zinc/79/43/75/1068794375.db2.gz DSMJMCJCTPSREF-JKSUJKDBSA-N 1 2 484.627 -0.843 20 0 JBADLO CNS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001517621630 1068799207 /nfs/dbraw/zinc/79/92/07/1068799207.db2.gz BJCWYNBLQFYBBK-UHFFFAOYSA-N 1 2 463.568 -0.512 20 0 JBADLO CNS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC001517621712 1068799187 /nfs/dbraw/zinc/79/91/87/1068799187.db2.gz GRWYSRZGZGCLLV-UHFFFAOYSA-N 1 2 450.569 -0.433 20 0 JBADLO CNS(=O)(=O)CCn1c(C(=O)NC(C)C)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001517626363 1068801587 /nfs/dbraw/zinc/80/15/87/1068801587.db2.gz XYAFCHXMMSQRRF-UHFFFAOYSA-N 1 2 451.557 -0.609 20 0 JBADLO CNS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC001517627533 1068802124 /nfs/dbraw/zinc/80/21/24/1068802124.db2.gz OEWVEZJALYTTHZ-HNNXBMFYSA-N 1 2 464.596 -0.378 20 0 JBADLO CNS(=O)(=O)CCn1c(-c2cccn2C)nnc1N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC001517627539 1068802070 /nfs/dbraw/zinc/80/20/70/1068802070.db2.gz OEWVEZJALYTTHZ-OAHLLOKOSA-N 1 2 464.596 -0.378 20 0 JBADLO CNS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CC[NH+](C[C@H]2CN(C(C)C)CCO2)CC1 ZINC001517632912 1068805189 /nfs/dbraw/zinc/80/51/89/1068805189.db2.gz KQOKQICKXUHAIR-RBUKOAKNSA-N 1 2 485.655 -0.090 20 0 JBADLO CNS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CC[NH+](C[C@@H]2CN(C(C)C)CCO2)CC1 ZINC001517632913 1068805419 /nfs/dbraw/zinc/80/54/19/1068805419.db2.gz KQOKQICKXUHAIR-RTBURBONSA-N 1 2 485.655 -0.090 20 0 JBADLO CNS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001517633783 1068806014 /nfs/dbraw/zinc/80/60/14/1068806014.db2.gz SQLBRPKQIYRFAG-DLBZAZTESA-N 1 2 469.612 -0.188 20 0 JBADLO CNS(=O)(=O)CCn1c([C@H]2CCCO2)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001517633784 1068806251 /nfs/dbraw/zinc/80/62/51/1068806251.db2.gz SQLBRPKQIYRFAG-IAGOWNOFSA-N 1 2 469.612 -0.188 20 0 JBADLO COC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[N@H+]2CCOC[C@H]2C)CC1 ZINC001517656279 1068807187 /nfs/dbraw/zinc/80/71/87/1068807187.db2.gz RZVFJTKHBTVDGQ-CABCVRRESA-N 1 2 458.585 -0.002 20 0 JBADLO COC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[N@@H+]2CCOC[C@H]2C)CC1 ZINC001517656279 1068807166 /nfs/dbraw/zinc/80/71/66/1068807166.db2.gz RZVFJTKHBTVDGQ-CABCVRRESA-N 1 2 458.585 -0.002 20 0 JBADLO COC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[N@H+]2CCOC[C@@H]2C)CC1 ZINC001517656282 1068806918 /nfs/dbraw/zinc/80/69/18/1068806918.db2.gz RZVFJTKHBTVDGQ-GJZGRUSLSA-N 1 2 458.585 -0.002 20 0 JBADLO COC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC001517656282 1068806895 /nfs/dbraw/zinc/80/68/95/1068806895.db2.gz RZVFJTKHBTVDGQ-GJZGRUSLSA-N 1 2 458.585 -0.002 20 0 JBADLO COC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[N@H+]2CCOC[C@H]2C)CC1 ZINC001517656287 1068807309 /nfs/dbraw/zinc/80/73/09/1068807309.db2.gz RZVFJTKHBTVDGQ-HUUCEWRRSA-N 1 2 458.585 -0.002 20 0 JBADLO COC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[N@@H+]2CCOC[C@H]2C)CC1 ZINC001517656287 1068807291 /nfs/dbraw/zinc/80/72/91/1068807291.db2.gz RZVFJTKHBTVDGQ-HUUCEWRRSA-N 1 2 458.585 -0.002 20 0 JBADLO COC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[N@H+]2CCOC[C@@H]2C)CC1 ZINC001517656288 1068806974 /nfs/dbraw/zinc/80/69/74/1068806974.db2.gz RZVFJTKHBTVDGQ-LSDHHAIUSA-N 1 2 458.585 -0.002 20 0 JBADLO COC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC001517656288 1068806955 /nfs/dbraw/zinc/80/69/55/1068806955.db2.gz RZVFJTKHBTVDGQ-LSDHHAIUSA-N 1 2 458.585 -0.002 20 0 JBADLO COc1cc[nH+]cc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(=O)NC2CC2)CC1 ZINC001518539788 1068816861 /nfs/dbraw/zinc/81/68/61/1068816861.db2.gz BPXLFXNECHOQSO-HNNXBMFYSA-N 1 2 492.606 -0.259 20 0 JBADLO COc1cc[nH+]cc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(CC(=O)NC2CC2)CC1 ZINC001518539789 1068816652 /nfs/dbraw/zinc/81/66/52/1068816652.db2.gz BPXLFXNECHOQSO-OAHLLOKOSA-N 1 2 492.606 -0.259 20 0 JBADLO COc1cc[nH+]cc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)NC[C@@H]2C1 ZINC001518540081 1068816827 /nfs/dbraw/zinc/81/68/27/1068816827.db2.gz CLXCBIMMSFMOKM-GXTWGEPZSA-N 1 2 450.525 -0.446 20 0 JBADLO COc1cc[nH+]cc1Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)NC[C@H]2C1 ZINC001518540086 1068816886 /nfs/dbraw/zinc/81/68/86/1068816886.db2.gz CLXCBIMMSFMOKM-JSGCOSHPSA-N 1 2 450.525 -0.446 20 0 JBADLO COc1cc[nH+]cc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)NC[C@H]2C1 ZINC001518540091 1068816978 /nfs/dbraw/zinc/81/69/78/1068816978.db2.gz CLXCBIMMSFMOKM-OCCSQVGLSA-N 1 2 450.525 -0.446 20 0 JBADLO COc1cc[nH+]cc1Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)NC[C@@H]2C1 ZINC001518540094 1068816618 /nfs/dbraw/zinc/81/66/18/1068816618.db2.gz CLXCBIMMSFMOKM-TZMCWYRMSA-N 1 2 450.525 -0.446 20 0 JBADLO COc1cc[nH+]cc1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(C)=O)CC1 ZINC001518540477 1068817015 /nfs/dbraw/zinc/81/70/15/1068817015.db2.gz AVJJQIUBHVOAMO-GOSISDBHSA-N 1 2 479.563 -0.269 20 0 JBADLO COc1cc[nH+]cc1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(C(C)=O)CC1 ZINC001518540479 1068816919 /nfs/dbraw/zinc/81/69/19/1068816919.db2.gz AVJJQIUBHVOAMO-SFHVURJKSA-N 1 2 479.563 -0.269 20 0 JBADLO CO[C@@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[NH+]2CCN(C(C)=O)CC2)CC[C@H]1C ZINC001518608249 1068818229 /nfs/dbraw/zinc/81/82/29/1068818229.db2.gz QSVKIQKTFVVCQJ-JFIYKMOQSA-N 1 2 471.628 -0.086 20 0 JBADLO CO[C@@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[NH+]2CCN(C(C)=O)CC2)CC[C@@H]1C ZINC001518608253 1068818349 /nfs/dbraw/zinc/81/83/49/1068818349.db2.gz QSVKIQKTFVVCQJ-LZLYRXPVSA-N 1 2 471.628 -0.086 20 0 JBADLO CO[C@@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[NH+]2CCN(C(C)=O)CC2)CC[C@H]1C ZINC001518608256 1068818088 /nfs/dbraw/zinc/81/80/88/1068818088.db2.gz QSVKIQKTFVVCQJ-SOLBZPMBSA-N 1 2 471.628 -0.086 20 0 JBADLO CO[C@@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[NH+]2CCN(C(C)=O)CC2)CC[C@@H]1C ZINC001518608258 1068818123 /nfs/dbraw/zinc/81/81/23/1068818123.db2.gz QSVKIQKTFVVCQJ-XYJFISCASA-N 1 2 471.628 -0.086 20 0 JBADLO COC[C@H]1CCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[NH+]2CCN(C(C)=O)CC2)C1 ZINC001518849628 1068827690 /nfs/dbraw/zinc/82/76/90/1068827690.db2.gz DKZLPXBYRSNKRD-AEFFLSMTSA-N 1 2 471.628 -0.085 20 0 JBADLO COC[C@@H]1CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[NH+]2CCN(C(C)=O)CC2)C1 ZINC001518849629 1068827505 /nfs/dbraw/zinc/82/75/05/1068827505.db2.gz DKZLPXBYRSNKRD-FUHWJXTLSA-N 1 2 471.628 -0.085 20 0 JBADLO COC[C@@H]1CCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[NH+]2CCN(C(C)=O)CC2)C1 ZINC001518849630 1068827472 /nfs/dbraw/zinc/82/74/72/1068827472.db2.gz DKZLPXBYRSNKRD-SJLPKXTDSA-N 1 2 471.628 -0.085 20 0 JBADLO COC[C@H]1CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[NH+]2CCN(C(C)=O)CC2)C1 ZINC001518849631 1068827790 /nfs/dbraw/zinc/82/77/90/1068827790.db2.gz DKZLPXBYRSNKRD-WMZOPIPTSA-N 1 2 471.628 -0.085 20 0 JBADLO COC[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CC[NH+]2CCN(C(C)=O)CC2)C[C@H](C)O1 ZINC001518937474 1068830863 /nfs/dbraw/zinc/83/08/63/1068830863.db2.gz DNRTUKMURNFPTO-HKUYNNGSSA-N 1 2 463.583 -0.195 20 0 JBADLO COC[C@H]1CN(c2nnc(CN3CCCC3=O)n2CC[NH+]2CCN(C(C)=O)CC2)C[C@@H](C)O1 ZINC001518937476 1068831166 /nfs/dbraw/zinc/83/11/66/1068831166.db2.gz DNRTUKMURNFPTO-IEBWSBKVSA-N 1 2 463.583 -0.195 20 0 JBADLO COC[C@@H]1CN(c2nnc(CN3CCCC3=O)n2CC[NH+]2CCN(C(C)=O)CC2)C[C@@H](C)O1 ZINC001518937477 1068830979 /nfs/dbraw/zinc/83/09/79/1068830979.db2.gz DNRTUKMURNFPTO-MJGOQNOKSA-N 1 2 463.583 -0.195 20 0 JBADLO COC[C@H]1CN(c2nnc(CN3CCCC3=O)n2CC[NH+]2CCN(C(C)=O)CC2)C[C@H](C)O1 ZINC001518937480 1068830934 /nfs/dbraw/zinc/83/09/34/1068830934.db2.gz DNRTUKMURNFPTO-PKOBYXMFSA-N 1 2 463.583 -0.195 20 0 JBADLO COCCCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001519050757 1068834163 /nfs/dbraw/zinc/83/41/63/1068834163.db2.gz FDZKGHMVVUAITF-GOSISDBHSA-N 1 2 487.627 -0.752 20 0 JBADLO COCCCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001519050761 1068834039 /nfs/dbraw/zinc/83/40/39/1068834039.db2.gz FDZKGHMVVUAITF-SFHVURJKSA-N 1 2 487.627 -0.752 20 0 JBADLO COCCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1([NH+]2CCOCC2)CC1 ZINC001519102167 1068836894 /nfs/dbraw/zinc/83/68/94/1068836894.db2.gz QAABCBZNIILXLE-INIZCTEOSA-N 1 2 458.585 -0.442 20 0 JBADLO COCCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1([NH+]2CCOCC2)CC1 ZINC001519102176 1068836784 /nfs/dbraw/zinc/83/67/84/1068836784.db2.gz QAABCBZNIILXLE-MRXNPFEDSA-N 1 2 458.585 -0.442 20 0 JBADLO COCCN(C)S(=O)(=O)[C@H]1CCCN(c2nnc(C)n2CC[NH+]2CCN(C(C)=O)CC2)C1 ZINC001519124563 1068840301 /nfs/dbraw/zinc/84/03/01/1068840301.db2.gz DQYJJCDLWMGJTG-IBGZPJMESA-N 1 2 471.628 -0.373 20 0 JBADLO COCCN(C)S(=O)(=O)[C@@H]1CCCN(c2nnc(C)n2CC[NH+]2CCN(C(C)=O)CC2)C1 ZINC001519124564 1068840333 /nfs/dbraw/zinc/84/03/33/1068840333.db2.gz DQYJJCDLWMGJTG-LJQANCHMSA-N 1 2 471.628 -0.373 20 0 JBADLO COCCN1CCN(c2nnc(C(=O)NC(C)C)n2CC[N@H+]2CCOCC2(C)C)CC1=O ZINC001519198170 1068843834 /nfs/dbraw/zinc/84/38/34/1068843834.db2.gz SFDQEGSIAVUIKG-UHFFFAOYSA-N 1 2 451.572 -0.178 20 0 JBADLO COCCN1CCN(c2nnc(C(=O)NC(C)C)n2CC[N@@H+]2CCOCC2(C)C)CC1=O ZINC001519198170 1068843815 /nfs/dbraw/zinc/84/38/15/1068843815.db2.gz SFDQEGSIAVUIKG-UHFFFAOYSA-N 1 2 451.572 -0.178 20 0 JBADLO COCCN1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2Cc2c[nH+]ccc2OC)CC1=O ZINC001519217417 1068845899 /nfs/dbraw/zinc/84/58/99/1068845899.db2.gz BDFCVQSDUUOUDG-HNNXBMFYSA-N 1 2 464.548 -0.073 20 0 JBADLO COCCN1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2Cc2c[nH+]ccc2OC)CC1=O ZINC001519217420 1068846064 /nfs/dbraw/zinc/84/60/64/1068846064.db2.gz BDFCVQSDUUOUDG-OAHLLOKOSA-N 1 2 464.548 -0.073 20 0 JBADLO COCCNC(=O)CN1CCN(c2nnc([C@H]3CCCO3)n2C[C@H](C)[NH+]2CCOCC2)CC1 ZINC001519246301 1068852738 /nfs/dbraw/zinc/85/27/38/1068852738.db2.gz DFOVKLXHERGHFL-RBUKOAKNSA-N 1 2 465.599 -0.265 20 0 JBADLO COCCNC(=O)CN1CCN(c2nnc([C@H]3CCCO3)n2C[C@@H](C)[NH+]2CCOCC2)CC1 ZINC001519246303 1068852914 /nfs/dbraw/zinc/85/29/14/1068852914.db2.gz DFOVKLXHERGHFL-RTBURBONSA-N 1 2 465.599 -0.265 20 0 JBADLO COCCNC(=O)CN1CCN(c2nnc(CC(C)(C)C)n2CC[NH+]2CCN(C(C)=O)CC2)CC1 ZINC001519251584 1068853331 /nfs/dbraw/zinc/85/33/31/1068853331.db2.gz SVSGLTBGHZMOHV-UHFFFAOYSA-N 1 2 492.669 -0.085 20 0 JBADLO COC[C@@H]1CCO[C@@H]1c1nnc(N(C)CCN2CCOCC2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001519419194 1068859200 /nfs/dbraw/zinc/85/92/00/1068859200.db2.gz LQLSEEKMJOPSHU-SFTDATJTSA-N 1 2 479.626 -0.065 20 0 JBADLO COC[C@@H]1CCO[C@@H]1c1nnc(N2CC(=O)N(C)C[C@H]2C)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001519423467 1068859421 /nfs/dbraw/zinc/85/94/21/1068859421.db2.gz IAIITYJZGMAMSA-KPFFTGBYSA-N 1 2 463.583 -0.167 20 0 JBADLO COC[C@@H]1CCO[C@@H]1c1nnc(N2CC(=O)N(C)C[C@@H]2C)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001519423498 1068859267 /nfs/dbraw/zinc/85/92/67/1068859267.db2.gz IAIITYJZGMAMSA-QRFRQXIXSA-N 1 2 463.583 -0.167 20 0 JBADLO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(S(C)(=O)=O)CC2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001519451909 1068860994 /nfs/dbraw/zinc/86/09/94/1068860994.db2.gz ZBPGZPOZPAWAEF-BZSNNMDCSA-N 1 2 472.612 -0.196 20 0 JBADLO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(S(C)(=O)=O)CC2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001519451909 1068860979 /nfs/dbraw/zinc/86/09/79/1068860979.db2.gz ZBPGZPOZPAWAEF-BZSNNMDCSA-N 1 2 472.612 -0.196 20 0 JBADLO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(S(C)(=O)=O)CC2)n1CC[N@H+]1CCOC[C@H]1C ZINC001519451911 1068861164 /nfs/dbraw/zinc/86/11/64/1068861164.db2.gz ZBPGZPOZPAWAEF-SQNIBIBYSA-N 1 2 472.612 -0.196 20 0 JBADLO COC[C@@H]1CCO[C@@H]1c1nnc(N2CCN(S(C)(=O)=O)CC2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001519451911 1068861148 /nfs/dbraw/zinc/86/11/48/1068861148.db2.gz ZBPGZPOZPAWAEF-SQNIBIBYSA-N 1 2 472.612 -0.196 20 0 JBADLO CO[C@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC(C)(C)[NH+]2CCOCC2)C1 ZINC001519488111 1068861996 /nfs/dbraw/zinc/86/19/96/1068861996.db2.gz CVKCQFPJHWHZKK-DLBZAZTESA-N 1 2 472.612 -0.053 20 0 JBADLO CO[C@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC(C)(C)[NH+]2CCOCC2)C1 ZINC001519488112 1068861851 /nfs/dbraw/zinc/86/18/51/1068861851.db2.gz CVKCQFPJHWHZKK-IRXDYDNUSA-N 1 2 472.612 -0.053 20 0 JBADLO CS(=O)(=O)CCCn1c(CN2CCCC2=O)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001519520019 1068865341 /nfs/dbraw/zinc/86/53/41/1068865341.db2.gz KJWTZMIDIZBYHU-KRWDZBQOSA-N 1 2 454.597 -0.006 20 0 JBADLO CS(=O)(=O)CCCn1c(CN2CCCC2=O)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001519520022 1068865444 /nfs/dbraw/zinc/86/54/44/1068865444.db2.gz KJWTZMIDIZBYHU-QGZVFWFLSA-N 1 2 454.597 -0.006 20 0 JBADLO CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCS(=O)(=O)CC3)n2CC[N@@H+]2CC=CCC2)C1 ZINC001519563146 1068872075 /nfs/dbraw/zinc/87/20/75/1068872075.db2.gz KXOKPQSLJBTGED-INIZCTEOSA-N 1 2 474.609 -0.892 20 0 JBADLO CS(=O)(=O)N1CCO[C@H](c2nnc(N3CCS(=O)(=O)CC3)n2CC[N@H+]2CC=CCC2)C1 ZINC001519563146 1068872066 /nfs/dbraw/zinc/87/20/66/1068872066.db2.gz KXOKPQSLJBTGED-INIZCTEOSA-N 1 2 474.609 -0.892 20 0 JBADLO CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCS(=O)(=O)CC3)n2CC[N@@H+]2CC=CCC2)C1 ZINC001519563148 1068871916 /nfs/dbraw/zinc/87/19/16/1068871916.db2.gz KXOKPQSLJBTGED-MRXNPFEDSA-N 1 2 474.609 -0.892 20 0 JBADLO CS(=O)(=O)N1CCO[C@@H](c2nnc(N3CCS(=O)(=O)CC3)n2CC[N@H+]2CC=CCC2)C1 ZINC001519563148 1068871907 /nfs/dbraw/zinc/87/19/07/1068871907.db2.gz KXOKPQSLJBTGED-MRXNPFEDSA-N 1 2 474.609 -0.892 20 0 JBADLO CS(=O)(=O)NCCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](C2CCC2)CC1 ZINC001519599587 1068876257 /nfs/dbraw/zinc/87/62/57/1068876257.db2.gz KMAXYADPXFHENL-HNNXBMFYSA-N 1 2 460.626 -0.206 20 0 JBADLO CS(=O)(=O)NCCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](C2CCC2)CC1 ZINC001519599588 1068876354 /nfs/dbraw/zinc/87/63/54/1068876354.db2.gz KMAXYADPXFHENL-OAHLLOKOSA-N 1 2 460.626 -0.206 20 0 JBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H]1OCCO[C@@H]1C(F)(F)F ZINC001526815540 1068891349 /nfs/dbraw/zinc/89/13/49/1068891349.db2.gz QXNCELDHIPXWNW-CABCVRRESA-N 1 2 452.455 -0.004 20 0 JBADLO CS(=O)(=O)c1cccnc1C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001526815698 1068891221 /nfs/dbraw/zinc/89/12/21/1068891221.db2.gz VRWIIDIYFPHXJW-UHFFFAOYSA-N 1 2 453.546 -0.238 20 0 JBADLO COCCN1C(=O)c2ccc(C(=O)N3CC[NH+](C(COC)COC)CC3)cc2S1(=O)=O ZINC001528843939 1068891841 /nfs/dbraw/zinc/89/18/41/1068891841.db2.gz BWYCENQQZAHPQH-UHFFFAOYSA-N 1 2 455.533 -0.103 20 0 JBADLO Cn1cc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCC1([NH+]2CCOCC2)CCOCC1 ZINC001535356861 1068898331 /nfs/dbraw/zinc/89/83/31/1068898331.db2.gz SQRJLPMOJQHMSZ-UHFFFAOYSA-N 1 2 456.565 -0.343 20 0 JBADLO CCNC(=O)C[N@H+]1CCCN(C(=O)CNS(=O)(=O)c2ccc(C(=O)OCC)cc2)CC1 ZINC001540533171 1068913554 /nfs/dbraw/zinc/91/35/54/1068913554.db2.gz NCRHGLZNHLIKBP-UHFFFAOYSA-N 1 2 454.549 -0.188 20 0 JBADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)CNS(=O)(=O)c2ccc(C(=O)OCC)cc2)CC1 ZINC001540533171 1068913549 /nfs/dbraw/zinc/91/35/49/1068913549.db2.gz NCRHGLZNHLIKBP-UHFFFAOYSA-N 1 2 454.549 -0.188 20 0 JBADLO CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CCCC[C@@H]2C(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001540612274 1068914142 /nfs/dbraw/zinc/91/41/42/1068914142.db2.gz VSCOSNSLCQCBFI-FGTMMUONSA-N 1 2 456.609 -0.234 20 0 JBADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CCCC[C@@H]2C(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001540612274 1068914136 /nfs/dbraw/zinc/91/41/36/1068914136.db2.gz VSCOSNSLCQCBFI-FGTMMUONSA-N 1 2 456.609 -0.234 20 0 JBADLO CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001540612275 1068914089 /nfs/dbraw/zinc/91/40/89/1068914089.db2.gz VSCOSNSLCQCBFI-KZNAEPCWSA-N 1 2 456.609 -0.234 20 0 JBADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001540612275 1068914083 /nfs/dbraw/zinc/91/40/83/1068914083.db2.gz VSCOSNSLCQCBFI-KZNAEPCWSA-N 1 2 456.609 -0.234 20 0 JBADLO CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CCCC[C@@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)CC1 ZINC001540612276 1068914048 /nfs/dbraw/zinc/91/40/48/1068914048.db2.gz VSCOSNSLCQCBFI-OKZBNKHCSA-N 1 2 456.609 -0.234 20 0 JBADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CCCC[C@@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)CC1 ZINC001540612276 1068914041 /nfs/dbraw/zinc/91/40/41/1068914041.db2.gz VSCOSNSLCQCBFI-OKZBNKHCSA-N 1 2 456.609 -0.234 20 0 JBADLO CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)CC1 ZINC001540612277 1068914606 /nfs/dbraw/zinc/91/46/06/1068914606.db2.gz VSCOSNSLCQCBFI-RCCFBDPRSA-N 1 2 456.609 -0.234 20 0 JBADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CCCC[C@H]2C(=O)N[C@H]2CCS(=O)(=O)C2)CC1 ZINC001540612277 1068914603 /nfs/dbraw/zinc/91/46/03/1068914603.db2.gz VSCOSNSLCQCBFI-RCCFBDPRSA-N 1 2 456.609 -0.234 20 0 JBADLO C[C@H](C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)N1C(=O)[C@@H]2CCCC[C@H]2C1=O ZINC001540750657 1068915415 /nfs/dbraw/zinc/91/54/15/1068915415.db2.gz WJXNEWZMZMGMEY-BRWVUGGUSA-N 1 2 455.581 -0.814 20 0 JBADLO C[C@H](C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)N1C(=O)[C@H]2CCCC[C@@H]2C1=O ZINC001540750658 1068915340 /nfs/dbraw/zinc/91/53/40/1068915340.db2.gz WJXNEWZMZMGMEY-IKGGRYGDSA-N 1 2 455.581 -0.814 20 0 JBADLO C[C@@H](C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC001540750659 1068915434 /nfs/dbraw/zinc/91/54/34/1068915434.db2.gz WJXNEWZMZMGMEY-YESZJQIVSA-N 1 2 455.581 -0.814 20 0 JBADLO C[C@H](C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)N1C(=O)[C@@H]2CCCC[C@@H]2C1=O ZINC001540750660 1068915357 /nfs/dbraw/zinc/91/53/57/1068915357.db2.gz WJXNEWZMZMGMEY-ZACQAIPSSA-N 1 2 455.581 -0.814 20 0 JBADLO CN(CC(=O)N[C@H]1CCS(=O)(=O)C1)C(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001540815037 1068915794 /nfs/dbraw/zinc/91/57/94/1068915794.db2.gz BLKYPZHUOMBUNA-INIZCTEOSA-N 1 2 451.549 -0.728 20 0 JBADLO CN(CC(=O)N[C@@H]1CCS(=O)(=O)C1)C(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001540815038 1068915825 /nfs/dbraw/zinc/91/58/25/1068915825.db2.gz BLKYPZHUOMBUNA-MRXNPFEDSA-N 1 2 451.549 -0.728 20 0 JBADLO O=C(CCN1C(=O)CCNC1=S)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001540833022 1068916207 /nfs/dbraw/zinc/91/62/07/1068916207.db2.gz FBPFHPQQDQYBLF-UHFFFAOYSA-N 1 2 454.578 -0.854 20 0 JBADLO CCNS(=O)(=O)c1cccc(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC001540834385 1068916131 /nfs/dbraw/zinc/91/61/31/1068916131.db2.gz YJVFEQRHUBODEN-UHFFFAOYSA-N 1 2 459.594 -0.765 20 0 JBADLO CC[C@@H](C)[C@H](NC(=O)N1CCCC1)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC001540835300 1068916178 /nfs/dbraw/zinc/91/61/78/1068916178.db2.gz DEIYMHQBAHEVGR-MSOLQXFVSA-N 1 2 458.629 -0.157 20 0 JBADLO CC[C@H](C)[C@H](NC(=O)N1CCCC1)C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC001540835301 1068916055 /nfs/dbraw/zinc/91/60/55/1068916055.db2.gz DEIYMHQBAHEVGR-ROUUACIJSA-N 1 2 458.629 -0.157 20 0 JBADLO Cc1cc(F)cc(-n2cc(C(=O)N3CCN(S(=O)(=O)N4CC[NH+](C)CC4)CC3)nn2)c1 ZINC001540835676 1068916193 /nfs/dbraw/zinc/91/61/93/1068916193.db2.gz QOBLRLKQWRUYEJ-UHFFFAOYSA-N 1 2 451.528 -0.035 20 0 JBADLO CCOC(Cn1cc(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cn1)OCC ZINC001540835808 1068916100 /nfs/dbraw/zinc/91/61/00/1068916100.db2.gz WBHAISCGRVBFQP-UHFFFAOYSA-N 1 2 458.585 -0.468 20 0 JBADLO CC(=O)N1CCC[N@H+]([C@H]2CN(c3nnc(C(=O)N4CCCC4)n3CCS(C)(=O)=O)C[C@@H]2C)CC1 ZINC001540971112 1068922641 /nfs/dbraw/zinc/92/26/41/1068922641.db2.gz ZWTQAUBVTBCPPU-HKUYNNGSSA-N 1 2 495.650 -0.062 20 0 JBADLO CC(=O)N1CCC[N@@H+]([C@H]2CN(c3nnc(C(=O)N4CCCC4)n3CCS(C)(=O)=O)C[C@@H]2C)CC1 ZINC001540971112 1068922638 /nfs/dbraw/zinc/92/26/38/1068922638.db2.gz ZWTQAUBVTBCPPU-HKUYNNGSSA-N 1 2 495.650 -0.062 20 0 JBADLO CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(C(=O)N4CCCC4)n3CCS(C)(=O)=O)C[C@H]2C)CC1 ZINC001540971116 1068922543 /nfs/dbraw/zinc/92/25/43/1068922543.db2.gz ZWTQAUBVTBCPPU-IEBWSBKVSA-N 1 2 495.650 -0.062 20 0 JBADLO CC(=O)N1CCC[N@@H+]([C@@H]2CN(c3nnc(C(=O)N4CCCC4)n3CCS(C)(=O)=O)C[C@H]2C)CC1 ZINC001540971116 1068922542 /nfs/dbraw/zinc/92/25/42/1068922542.db2.gz ZWTQAUBVTBCPPU-IEBWSBKVSA-N 1 2 495.650 -0.062 20 0 JBADLO CC(=O)N1CCC[N@H+]([C@H]2CN(c3nnc(C(=O)N4CCCC4)n3CCS(C)(=O)=O)C[C@H]2C)CC1 ZINC001540971117 1068922689 /nfs/dbraw/zinc/92/26/89/1068922689.db2.gz ZWTQAUBVTBCPPU-MJGOQNOKSA-N 1 2 495.650 -0.062 20 0 JBADLO CC(=O)N1CCC[N@@H+]([C@H]2CN(c3nnc(C(=O)N4CCCC4)n3CCS(C)(=O)=O)C[C@H]2C)CC1 ZINC001540971117 1068922683 /nfs/dbraw/zinc/92/26/83/1068922683.db2.gz ZWTQAUBVTBCPPU-MJGOQNOKSA-N 1 2 495.650 -0.062 20 0 JBADLO CC(=O)N1CCC[N@H+]([C@@H]2CN(c3nnc(C(=O)N4CCCC4)n3CCS(C)(=O)=O)C[C@@H]2C)CC1 ZINC001540971118 1068922614 /nfs/dbraw/zinc/92/26/14/1068922614.db2.gz ZWTQAUBVTBCPPU-PKOBYXMFSA-N 1 2 495.650 -0.062 20 0 JBADLO CC(=O)N1CCC[N@@H+]([C@@H]2CN(c3nnc(C(=O)N4CCCC4)n3CCS(C)(=O)=O)C[C@@H]2C)CC1 ZINC001540971118 1068922611 /nfs/dbraw/zinc/92/26/11/1068922611.db2.gz ZWTQAUBVTBCPPU-PKOBYXMFSA-N 1 2 495.650 -0.062 20 0 JBADLO CC(=O)N1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)[NH+]2CCOCC2)[C@@H](C)C1 ZINC001540992278 1068924023 /nfs/dbraw/zinc/92/40/23/1068924023.db2.gz ROVACYICBXRBNJ-AOIWGVFYSA-N 1 2 499.638 -0.611 20 0 JBADLO CC(=O)N1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)[NH+]2CCOCC2)[C@H](C)C1 ZINC001540992279 1068923939 /nfs/dbraw/zinc/92/39/39/1068923939.db2.gz ROVACYICBXRBNJ-LMMKCTJWSA-N 1 2 499.638 -0.611 20 0 JBADLO CC(=O)N1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C)[NH+]2CCOCC2)[C@@H](C)C1 ZINC001540992280 1068923996 /nfs/dbraw/zinc/92/39/96/1068923996.db2.gz ROVACYICBXRBNJ-LNLFQRSKSA-N 1 2 499.638 -0.611 20 0 JBADLO CC(=O)N1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C)[NH+]2CCOCC2)[C@H](C)C1 ZINC001540992281 1068924040 /nfs/dbraw/zinc/92/40/40/1068924040.db2.gz ROVACYICBXRBNJ-SCTDSRPQSA-N 1 2 499.638 -0.611 20 0 JBADLO CC(=O)N1CC[NH+](CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCc3c(cc[nH]c3=O)C2)CC1 ZINC001541002941 1068925602 /nfs/dbraw/zinc/92/56/02/1068925602.db2.gz KZTCELYKNNVZGI-HNNXBMFYSA-N 1 2 492.606 -0.284 20 0 JBADLO CC(=O)N1CC[NH+](CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCc3c(cc[nH]c3=O)C2)CC1 ZINC001541002966 1068925710 /nfs/dbraw/zinc/92/57/10/1068925710.db2.gz KZTCELYKNNVZGI-OAHLLOKOSA-N 1 2 492.606 -0.284 20 0 JBADLO CC(=O)N1CC[NH+](CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCC3(CNC(=O)C3)CC2)CC1 ZINC001541003165 1068925739 /nfs/dbraw/zinc/92/57/39/1068925739.db2.gz LWJUBZIKFGBCMH-INIZCTEOSA-N 1 2 496.638 -0.841 20 0 JBADLO CC(=O)N1CC[NH+](CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCC3(CNC(=O)C3)CC2)CC1 ZINC001541003170 1068925643 /nfs/dbraw/zinc/92/56/43/1068925643.db2.gz LWJUBZIKFGBCMH-MRXNPFEDSA-N 1 2 496.638 -0.841 20 0 JBADLO CC(=O)N1CC[NH+](CCn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)Cc2ccon2)CC1 ZINC001541003172 1068926049 /nfs/dbraw/zinc/92/60/49/1068926049.db2.gz LYKPGZNCBCBBTQ-AWEZNQCLSA-N 1 2 454.557 -0.323 20 0 JBADLO CC(=O)N1CC[NH+](CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)Cc2ccon2)CC1 ZINC001541003176 1068926147 /nfs/dbraw/zinc/92/61/47/1068926147.db2.gz LYKPGZNCBCBBTQ-CQSZACIVSA-N 1 2 454.557 -0.323 20 0 JBADLO CC(=O)N1CC[NH+](CCn2c(C)nnc2N2CCN(S(=O)(=O)CCOC(C)C)CC2)CC1 ZINC001541003438 1068926064 /nfs/dbraw/zinc/92/60/64/1068926064.db2.gz OYFDWSOCAMZEJC-UHFFFAOYSA-N 1 2 471.628 -0.373 20 0 JBADLO CC(=O)N1CC[NH+](CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCOCC3(CC3)C2)CC1 ZINC001541003724 1068925992 /nfs/dbraw/zinc/92/59/92/1068925992.db2.gz SYFCDBRFBYVREM-INIZCTEOSA-N 1 2 469.612 -0.331 20 0 JBADLO CC(=O)N1CC[NH+](CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CCOCC3(CC3)C2)CC1 ZINC001541003725 1068926084 /nfs/dbraw/zinc/92/60/84/1068926084.db2.gz SYFCDBRFBYVREM-MRXNPFEDSA-N 1 2 469.612 -0.331 20 0 JBADLO CC(=O)N1CC[NH+](CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[C@H]3CCNC(=O)[C@H]3C2)CC1 ZINC001541004024 1068926133 /nfs/dbraw/zinc/92/61/33/1068926133.db2.gz XYKHSTAWMJBMGZ-JQHSSLGASA-N 1 2 496.638 -0.985 20 0 JBADLO CC(=O)N1CC[NH+](CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[C@H]3CCNC(=O)[C@H]3C2)CC1 ZINC001541004028 1068926035 /nfs/dbraw/zinc/92/60/35/1068926035.db2.gz XYKHSTAWMJBMGZ-NXHRZFHOSA-N 1 2 496.638 -0.985 20 0 JBADLO CC(=O)N1CC[NH+](CCn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)CC2CCOCC2)CC1 ZINC001541004216 1068926076 /nfs/dbraw/zinc/92/60/76/1068926076.db2.gz YUVHWHVDWYADRW-INIZCTEOSA-N 1 2 471.628 -0.085 20 0 JBADLO CC(=O)N1CC[NH+](CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)CC2CCOCC2)CC1 ZINC001541004218 1068926141 /nfs/dbraw/zinc/92/61/41/1068926141.db2.gz YUVHWHVDWYADRW-MRXNPFEDSA-N 1 2 471.628 -0.085 20 0 JBADLO CC(=O)N1CC[NH+](CCn2c([C@H]3CCC(=O)N3)nnc2N2CCC(CCC(N)=O)CC2)CC1 ZINC001541004892 1068926166 /nfs/dbraw/zinc/92/61/66/1068926166.db2.gz BJHHDIDWOXQPKM-GOSISDBHSA-N 1 2 460.583 -0.125 20 0 JBADLO CC(=O)N1CC[NH+](CCn2c([C@@H]3CCC(=O)N3)nnc2N2CCC(CCC(N)=O)CC2)CC1 ZINC001541004893 1068926010 /nfs/dbraw/zinc/92/60/10/1068926010.db2.gz BJHHDIDWOXQPKM-SFHVURJKSA-N 1 2 460.583 -0.125 20 0 JBADLO CC(=O)N1CC[NH+](CCn2c([C@H]3CCC(=O)N3)nnc2N2CCN(CC(C)C)C(=O)C2)CC1 ZINC001541005149 1068926531 /nfs/dbraw/zinc/92/65/31/1068926531.db2.gz LDHFKKIQTJGHRN-GOSISDBHSA-N 1 2 460.583 -0.302 20 0 JBADLO CC(=O)N1CC[NH+](CCn2c([C@@H]3CCC(=O)N3)nnc2N2CCN(CC(C)C)C(=O)C2)CC1 ZINC001541005150 1068926502 /nfs/dbraw/zinc/92/65/02/1068926502.db2.gz LDHFKKIQTJGHRN-SFHVURJKSA-N 1 2 460.583 -0.302 20 0 JBADLO CC(=O)N1CC[NH+](CCn2c(Cc3ccccn3)nnc2N2CCCN(S(C)(=O)=O)CC2)CC1 ZINC001541006082 1068926472 /nfs/dbraw/zinc/92/64/72/1068926472.db2.gz AIPWVPBJBXQWQM-UHFFFAOYSA-N 1 2 490.634 -0.100 20 0 JBADLO CC(=O)N1CC[NH+](CCn2c(CC(C)(C)C)nnc2N2CCN(C(=O)C(=O)NC3CC3)CC2)CC1 ZINC001541006098 1068926568 /nfs/dbraw/zinc/92/65/68/1068926568.db2.gz BAFGVDBDGJKWJS-UHFFFAOYSA-N 1 2 488.637 -0.042 20 0 JBADLO CC(=O)N1CC[NH+](CCn2c(Cc3cccnc3)nnc2N2CCN(CC(=O)N(C)C)CC2)CC1 ZINC001541006324 1068926545 /nfs/dbraw/zinc/92/65/45/1068926545.db2.gz GBQNEJCDPXQCCB-UHFFFAOYSA-N 1 2 483.621 -0.362 20 0 JBADLO CC(=O)N1CC[NH+](CCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2C[C@@H](C)[C@@H](F)C2)CC1 ZINC001541006424 1068926434 /nfs/dbraw/zinc/92/64/34/1068926434.db2.gz ICFKCKPGWBWYJO-BPQIPLTHSA-N 1 2 487.602 -0.431 20 0 JBADLO CC(=O)N1CC[NH+](CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2C[C@@H](C)[C@@H](F)C2)CC1 ZINC001541006425 1068926510 /nfs/dbraw/zinc/92/65/10/1068926510.db2.gz ICFKCKPGWBWYJO-NJAFHUGGSA-N 1 2 487.602 -0.431 20 0 JBADLO CC(=O)N1CC[NH+](CCn2c([C@H]3CCCOC3)nnc2N(C)CCNS(C)(=O)=O)CC1 ZINC001541006497 1068926947 /nfs/dbraw/zinc/92/69/47/1068926947.db2.gz KLMQRZIOZVLXNM-KRWDZBQOSA-N 1 2 457.601 -0.678 20 0 JBADLO CC(=O)N1CC[NH+](CCn2c([C@@H]3CCCOC3)nnc2N(C)CCNS(C)(=O)=O)CC1 ZINC001541006498 1068926890 /nfs/dbraw/zinc/92/68/90/1068926890.db2.gz KLMQRZIOZVLXNM-QGZVFWFLSA-N 1 2 457.601 -0.678 20 0 JBADLO CC(=O)N1CC[NH+](CCn2c([C@H]3CCOC3)nnc2N2CCN(C(=O)C(=O)NC(C)C)CC2)CC1 ZINC001541006626 1068926929 /nfs/dbraw/zinc/92/69/29/1068926929.db2.gz NPPSDPGLKHEGFS-IBGZPJMESA-N 1 2 490.609 -0.881 20 0 JBADLO CC(=O)N1CC[NH+](CCn2c([C@@H]3CCOC3)nnc2N2CCN(C(=O)C(=O)NC(C)C)CC2)CC1 ZINC001541006629 1068926858 /nfs/dbraw/zinc/92/68/58/1068926858.db2.gz NPPSDPGLKHEGFS-LJQANCHMSA-N 1 2 490.609 -0.881 20 0 JBADLO CC(=O)N1CC[NH+](CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2C[C@@H](C)O[C@H](C)C2)CC1 ZINC001541006686 1068926806 /nfs/dbraw/zinc/92/68/06/1068926806.db2.gz PDJWCQQXACWTJP-LMMKCTJWSA-N 1 2 499.638 -0.611 20 0 JBADLO CC(=O)N1CC[NH+](CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2C[C@H](C)O[C@@H](C)C2)CC1 ZINC001541006688 1068926867 /nfs/dbraw/zinc/92/68/67/1068926867.db2.gz PDJWCQQXACWTJP-LNLFQRSKSA-N 1 2 499.638 -0.611 20 0 JBADLO CC(=O)N1CC[NH+](CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001541006689 1068926954 /nfs/dbraw/zinc/92/69/54/1068926954.db2.gz PDJWCQQXACWTJP-SCTDSRPQSA-N 1 2 499.638 -0.611 20 0 JBADLO CC(=O)N1CC[NH+](CCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC001541006691 1068926837 /nfs/dbraw/zinc/92/68/37/1068926837.db2.gz PDJWCQQXACWTJP-ZIFCJYIRSA-N 1 2 499.638 -0.611 20 0 JBADLO CC(=O)N1CC[NH+](CCn2c(CN3CCCC3=O)nnc2N2CCC(OCC(N)=O)CC2)CC1 ZINC001541006877 1068926848 /nfs/dbraw/zinc/92/68/48/1068926848.db2.gz FHCULAGPVBSLSY-UHFFFAOYSA-N 1 2 476.582 -0.965 20 0 JBADLO CC(=O)NC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2([NH+]3CCOCC3)CC2)CC1 ZINC001541042781 1068928049 /nfs/dbraw/zinc/92/80/49/1068928049.db2.gz JDYWKEQDANHINK-HNNXBMFYSA-N 1 2 469.612 -0.142 20 0 JBADLO CC(=O)NC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2([NH+]3CCOCC3)CC2)CC1 ZINC001541042821 1068928122 /nfs/dbraw/zinc/92/81/22/1068928122.db2.gz JDYWKEQDANHINK-OAHLLOKOSA-N 1 2 469.612 -0.142 20 0 JBADLO CC(=O)NC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](C)[NH+]2CCOCC2)CC1 ZINC001541043218 1068928187 /nfs/dbraw/zinc/92/81/87/1068928187.db2.gz PLGVQJVJCFJGBJ-CABCVRRESA-N 1 2 457.601 -0.286 20 0 JBADLO CC(=O)NC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](C)[NH+]2CCOCC2)CC1 ZINC001541043219 1068928150 /nfs/dbraw/zinc/92/81/50/1068928150.db2.gz PLGVQJVJCFJGBJ-GJZGRUSLSA-N 1 2 457.601 -0.286 20 0 JBADLO CC(=O)NC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](C)[NH+]2CCOCC2)CC1 ZINC001541043220 1068928199 /nfs/dbraw/zinc/92/81/99/1068928199.db2.gz PLGVQJVJCFJGBJ-HUUCEWRRSA-N 1 2 457.601 -0.286 20 0 JBADLO CC(=O)NC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](C)[NH+]2CCOCC2)CC1 ZINC001541043222 1068928103 /nfs/dbraw/zinc/92/81/03/1068928103.db2.gz PLGVQJVJCFJGBJ-LSDHHAIUSA-N 1 2 457.601 -0.286 20 0 JBADLO CC(=O)NC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@@H+]2CCOC[C@H]2C)CC1 ZINC001541047512 1068928077 /nfs/dbraw/zinc/92/80/77/1068928077.db2.gz OINYCRAILQRYSN-APWZRJJASA-N 1 2 499.638 -0.563 20 0 JBADLO CC(=O)NC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@H+]2CCOC[C@H]2C)CC1 ZINC001541047512 1068928074 /nfs/dbraw/zinc/92/80/74/1068928074.db2.gz OINYCRAILQRYSN-APWZRJJASA-N 1 2 499.638 -0.563 20 0 JBADLO CC(=O)NC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC001541047516 1068928132 /nfs/dbraw/zinc/92/81/32/1068928132.db2.gz OINYCRAILQRYSN-LPHOPBHVSA-N 1 2 499.638 -0.563 20 0 JBADLO CC(=O)NC1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@H+]2CCOC[C@@H]2C)CC1 ZINC001541047516 1068928130 /nfs/dbraw/zinc/92/81/30/1068928130.db2.gz OINYCRAILQRYSN-LPHOPBHVSA-N 1 2 499.638 -0.563 20 0 JBADLO CC(=O)NC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC001541047518 1068928090 /nfs/dbraw/zinc/92/80/90/1068928090.db2.gz OINYCRAILQRYSN-QFBILLFUSA-N 1 2 499.638 -0.563 20 0 JBADLO CC(=O)NC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@H+]2CCOC[C@@H]2C)CC1 ZINC001541047518 1068928084 /nfs/dbraw/zinc/92/80/84/1068928084.db2.gz OINYCRAILQRYSN-QFBILLFUSA-N 1 2 499.638 -0.563 20 0 JBADLO CC(=O)NC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@@H+]2CCOC[C@H]2C)CC1 ZINC001541047520 1068928064 /nfs/dbraw/zinc/92/80/64/1068928064.db2.gz OINYCRAILQRYSN-VQIMIIECSA-N 1 2 499.638 -0.563 20 0 JBADLO CC(=O)NC1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@H+]2CCOC[C@H]2C)CC1 ZINC001541047520 1068928063 /nfs/dbraw/zinc/92/80/63/1068928063.db2.gz OINYCRAILQRYSN-VQIMIIECSA-N 1 2 499.638 -0.563 20 0 JBADLO O=C(CCC(=O)N1CCC(O)CC1)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001541114663 1068932740 /nfs/dbraw/zinc/93/27/40/1068932740.db2.gz NLJFVAGUHDUPEG-UHFFFAOYSA-N 1 2 453.565 -0.587 20 0 JBADLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(c2nnc(-c3ccc[nH]3)n2CCNS(C)(=O)=O)CC1 ZINC001541121132 1068933107 /nfs/dbraw/zinc/93/31/07/1068933107.db2.gz CTNYBADELBJCQL-AWEZNQCLSA-N 1 2 450.569 -0.389 20 0 JBADLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(c2nnc(-c3ccc[nH]3)n2CCNS(C)(=O)=O)CC1 ZINC001541121133 1068933220 /nfs/dbraw/zinc/93/32/20/1068933220.db2.gz CTNYBADELBJCQL-CQSZACIVSA-N 1 2 450.569 -0.389 20 0 JBADLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(c2nnc(-c3cnn(C)c3)n2CC(=O)NCC(F)F)CC1 ZINC001541121618 1068933124 /nfs/dbraw/zinc/93/31/24/1068933124.db2.gz NFGJOZFVGJZJFT-CYBMUJFWSA-N 1 2 465.509 -0.151 20 0 JBADLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(c2nnc(-c3cnn(C)c3)n2CC(=O)NCC(F)F)CC1 ZINC001541121619 1068933201 /nfs/dbraw/zinc/93/32/01/1068933201.db2.gz NFGJOZFVGJZJFT-ZDUSSCGKSA-N 1 2 465.509 -0.151 20 0 JBADLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(c2nnc([C@H]3CCOC3)n2CCCNS(C)(=O)=O)CC1 ZINC001541121780 1068933185 /nfs/dbraw/zinc/93/31/85/1068933185.db2.gz QYFRBLQFVMNYGU-MSOLQXFVSA-N 1 2 483.639 -0.146 20 0 JBADLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(c2nnc([C@@H]3CCOC3)n2CCCNS(C)(=O)=O)CC1 ZINC001541121781 1068933149 /nfs/dbraw/zinc/93/31/49/1068933149.db2.gz QYFRBLQFVMNYGU-QZTJIDSGSA-N 1 2 483.639 -0.146 20 0 JBADLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(c2nnc([C@H]3CCOC3)n2CCCNS(C)(=O)=O)CC1 ZINC001541121782 1068933075 /nfs/dbraw/zinc/93/30/75/1068933075.db2.gz QYFRBLQFVMNYGU-ROUUACIJSA-N 1 2 483.639 -0.146 20 0 JBADLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(c2nnc([C@@H]3CCOC3)n2CCCNS(C)(=O)=O)CC1 ZINC001541121783 1068933157 /nfs/dbraw/zinc/93/31/57/1068933157.db2.gz QYFRBLQFVMNYGU-ZWKOTPCHSA-N 1 2 483.639 -0.146 20 0 JBADLO C[C@H](C(=O)NC1CC1)[NH+]1CCN(c2nnc(-c3cnccn3)n2CC(=O)NCC(F)F)CC1 ZINC001541121854 1068933231 /nfs/dbraw/zinc/93/32/31/1068933231.db2.gz SQONPJHFYXHDMA-CYBMUJFWSA-N 1 2 463.493 -0.095 20 0 JBADLO C[C@@H](C(=O)NC1CC1)[NH+]1CCN(c2nnc(-c3cnccn3)n2CC(=O)NCC(F)F)CC1 ZINC001541121855 1068933094 /nfs/dbraw/zinc/93/30/94/1068933094.db2.gz SQONPJHFYXHDMA-ZDUSSCGKSA-N 1 2 463.493 -0.095 20 0 JBADLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(c2nnc(-c3cnn(C)c3)n2CCS(=O)(=O)N(C)C)CC1 ZINC001541121856 1068933057 /nfs/dbraw/zinc/93/30/57/1068933057.db2.gz SQVPOJGLVGJAHL-KRWDZBQOSA-N 1 2 493.638 -0.297 20 0 JBADLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(c2nnc(-c3cnn(C)c3)n2CCS(=O)(=O)N(C)C)CC1 ZINC001541121857 1068933168 /nfs/dbraw/zinc/93/31/68/1068933168.db2.gz SQVPOJGLVGJAHL-QGZVFWFLSA-N 1 2 493.638 -0.297 20 0 JBADLO CC(C)CN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[N@H+]2CCOC[C@@H]2C)CC1=O ZINC001541557182 1068940321 /nfs/dbraw/zinc/94/03/21/1068940321.db2.gz WDRNMOXJEJHVKF-DLBZAZTESA-N 1 2 471.628 -0.086 20 0 JBADLO CC(C)CN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[N@@H+]2CCOC[C@@H]2C)CC1=O ZINC001541557182 1068940318 /nfs/dbraw/zinc/94/03/18/1068940318.db2.gz WDRNMOXJEJHVKF-DLBZAZTESA-N 1 2 471.628 -0.086 20 0 JBADLO CC(C)CN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[N@H+]2CCOC[C@H]2C)CC1=O ZINC001541557183 1068940650 /nfs/dbraw/zinc/94/06/50/1068940650.db2.gz WDRNMOXJEJHVKF-IAGOWNOFSA-N 1 2 471.628 -0.086 20 0 JBADLO CC(C)CN1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[N@@H+]2CCOC[C@H]2C)CC1=O ZINC001541557183 1068940646 /nfs/dbraw/zinc/94/06/46/1068940646.db2.gz WDRNMOXJEJHVKF-IAGOWNOFSA-N 1 2 471.628 -0.086 20 0 JBADLO CC(C)CN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[N@H+]2CCOC[C@@H]2C)CC1=O ZINC001541557184 1068940672 /nfs/dbraw/zinc/94/06/72/1068940672.db2.gz WDRNMOXJEJHVKF-IRXDYDNUSA-N 1 2 471.628 -0.086 20 0 JBADLO CC(C)CN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[N@@H+]2CCOC[C@@H]2C)CC1=O ZINC001541557184 1068940665 /nfs/dbraw/zinc/94/06/65/1068940665.db2.gz WDRNMOXJEJHVKF-IRXDYDNUSA-N 1 2 471.628 -0.086 20 0 JBADLO CC(C)CN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[N@H+]2CCOC[C@H]2C)CC1=O ZINC001541557185 1068940778 /nfs/dbraw/zinc/94/07/78/1068940778.db2.gz WDRNMOXJEJHVKF-SJORKVTESA-N 1 2 471.628 -0.086 20 0 JBADLO CC(C)CN1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[N@@H+]2CCOC[C@H]2C)CC1=O ZINC001541557185 1068940772 /nfs/dbraw/zinc/94/07/72/1068940772.db2.gz WDRNMOXJEJHVKF-SJORKVTESA-N 1 2 471.628 -0.086 20 0 JBADLO CC(C)C[NH+]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCS(=O)(=O)N(C)C)CC1 ZINC001541562832 1068940793 /nfs/dbraw/zinc/94/07/93/1068940793.db2.gz BNCUKLMYXTXMNL-INIZCTEOSA-N 1 2 462.642 -0.150 20 0 JBADLO CC(C)C[NH+]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCS(=O)(=O)N(C)C)CC1 ZINC001541562833 1068940699 /nfs/dbraw/zinc/94/06/99/1068940699.db2.gz BNCUKLMYXTXMNL-MRXNPFEDSA-N 1 2 462.642 -0.150 20 0 JBADLO CC(C)NC(=O)c1nnc(N2CCCN(S(C)(=O)=O)CC2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001541671022 1068947786 /nfs/dbraw/zinc/94/77/86/1068947786.db2.gz NDUYODVLYMJPHC-UHFFFAOYSA-N 1 2 471.628 -0.001 20 0 JBADLO CC(C)NC(=O)c1nnc(N2CCCN(S(C)(=O)=O)CC2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001541671022 1068947782 /nfs/dbraw/zinc/94/77/82/1068947782.db2.gz NDUYODVLYMJPHC-UHFFFAOYSA-N 1 2 471.628 -0.001 20 0 JBADLO CC(C)NC(=O)c1nnc(N2CCN(C(=O)CN3CCOCC3)CC2)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001541672317 1068948784 /nfs/dbraw/zinc/94/87/84/1068948784.db2.gz IWZZLXYELFRNFO-UHFFFAOYSA-N 1 2 499.620 -0.094 20 0 JBADLO CC(C)NC(=O)c1nnc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)n1Cc1cnnn1C ZINC001541673354 1068949230 /nfs/dbraw/zinc/94/92/30/1068949230.db2.gz PTPXDXZQWSJEPJ-INIZCTEOSA-N 1 2 458.571 -0.274 20 0 JBADLO CC(C)NC(=O)c1nnc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)n1Cc1cnnn1C ZINC001541673355 1068949341 /nfs/dbraw/zinc/94/93/41/1068949341.db2.gz PTPXDXZQWSJEPJ-MRXNPFEDSA-N 1 2 458.571 -0.274 20 0 JBADLO CC(C)NC(=O)c1nnc(N2CCN(CC(=O)N(C)C)CC2)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001541676519 1068950291 /nfs/dbraw/zinc/95/02/91/1068950291.db2.gz XKMDZFUYFYBRQC-UHFFFAOYSA-N 1 2 499.620 -0.094 20 0 JBADLO CC(C)NC(=O)CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001541689656 1068951783 /nfs/dbraw/zinc/95/17/83/1068951783.db2.gz FPMZEEXMWRHINE-KRWDZBQOSA-N 1 2 487.627 -0.706 20 0 JBADLO CC(C)NC(=O)CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001541689657 1068951732 /nfs/dbraw/zinc/95/17/32/1068951732.db2.gz FPMZEEXMWRHINE-QGZVFWFLSA-N 1 2 487.627 -0.706 20 0 JBADLO CC(C)OCCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001541761695 1068956954 /nfs/dbraw/zinc/95/69/54/1068956954.db2.gz CIXWFUMFTWYANX-KRWDZBQOSA-N 1 2 460.601 -0.196 20 0 JBADLO CC(C)OCCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001541761696 1068956903 /nfs/dbraw/zinc/95/69/03/1068956903.db2.gz CIXWFUMFTWYANX-QGZVFWFLSA-N 1 2 460.601 -0.196 20 0 JBADLO C[C@H](CC(N)=O)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[N@H+]1CCOCC1(C)C ZINC001541812233 1068957519 /nfs/dbraw/zinc/95/75/19/1068957519.db2.gz BQKRFRZBPWZBDQ-CVEARBPZSA-N 1 2 487.627 -0.578 20 0 JBADLO C[C@H](CC(N)=O)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[N@@H+]1CCOCC1(C)C ZINC001541812233 1068957513 /nfs/dbraw/zinc/95/75/13/1068957513.db2.gz BQKRFRZBPWZBDQ-CVEARBPZSA-N 1 2 487.627 -0.578 20 0 JBADLO C[C@@H](CC(N)=O)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[N@H+]1CCOCC1(C)C ZINC001541812234 1068957503 /nfs/dbraw/zinc/95/75/03/1068957503.db2.gz BQKRFRZBPWZBDQ-HOTGVXAUSA-N 1 2 487.627 -0.578 20 0 JBADLO C[C@@H](CC(N)=O)N(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[N@@H+]1CCOCC1(C)C ZINC001541812234 1068957497 /nfs/dbraw/zinc/95/74/97/1068957497.db2.gz BQKRFRZBPWZBDQ-HOTGVXAUSA-N 1 2 487.627 -0.578 20 0 JBADLO C[C@H](CC(N)=O)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[N@H+]1CCOCC1(C)C ZINC001541812235 1068957401 /nfs/dbraw/zinc/95/74/01/1068957401.db2.gz BQKRFRZBPWZBDQ-HZPDHXFCSA-N 1 2 487.627 -0.578 20 0 JBADLO C[C@H](CC(N)=O)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[N@@H+]1CCOCC1(C)C ZINC001541812235 1068957395 /nfs/dbraw/zinc/95/73/95/1068957395.db2.gz BQKRFRZBPWZBDQ-HZPDHXFCSA-N 1 2 487.627 -0.578 20 0 JBADLO C[C@@H](CC(N)=O)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[N@H+]1CCOCC1(C)C ZINC001541812236 1068957451 /nfs/dbraw/zinc/95/74/51/1068957451.db2.gz BQKRFRZBPWZBDQ-JKSUJKDBSA-N 1 2 487.627 -0.578 20 0 JBADLO C[C@@H](CC(N)=O)N(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[N@@H+]1CCOCC1(C)C ZINC001541812236 1068957447 /nfs/dbraw/zinc/95/74/47/1068957447.db2.gz BQKRFRZBPWZBDQ-JKSUJKDBSA-N 1 2 487.627 -0.578 20 0 JBADLO C[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(NS(C)(=O)=O)CC1)[NH+]1CCOCC1 ZINC001541848971 1068958002 /nfs/dbraw/zinc/95/80/02/1068958002.db2.gz RAWFLCKKFRNPFG-GDBMZVCRSA-N 1 2 455.585 -0.532 20 0 JBADLO C[C@@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC(NS(C)(=O)=O)CC1)[NH+]1CCOCC1 ZINC001541848972 1068958041 /nfs/dbraw/zinc/95/80/41/1068958041.db2.gz RAWFLCKKFRNPFG-GOEBONIOSA-N 1 2 455.585 -0.532 20 0 JBADLO C[C@@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(NS(C)(=O)=O)CC1)[NH+]1CCOCC1 ZINC001541848973 1068957978 /nfs/dbraw/zinc/95/79/78/1068957978.db2.gz RAWFLCKKFRNPFG-HOCLYGCPSA-N 1 2 455.585 -0.532 20 0 JBADLO C[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(NS(C)(=O)=O)CC1)[NH+]1CCOCC1 ZINC001541848974 1068957898 /nfs/dbraw/zinc/95/78/98/1068957898.db2.gz RAWFLCKKFRNPFG-ZBFHGGJFSA-N 1 2 455.585 -0.532 20 0 JBADLO C[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1)[NH+]1CCOCC1 ZINC001541849371 1068957991 /nfs/dbraw/zinc/95/79/91/1068957991.db2.gz XQWUAVIHCJAYDT-BRWVUGGUSA-N 1 2 469.612 -0.285 20 0 JBADLO C[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1)[NH+]1CCOCC1 ZINC001541849372 1068958019 /nfs/dbraw/zinc/95/80/19/1068958019.db2.gz XQWUAVIHCJAYDT-IKGGRYGDSA-N 1 2 469.612 -0.285 20 0 JBADLO C[C@H](Cn1c([C@H]2CCC(=O)N2)nnc1N1CCC[C@@H](CNS(C)(=O)=O)C1)[NH+]1CCOCC1 ZINC001541849373 1068957974 /nfs/dbraw/zinc/95/79/74/1068957974.db2.gz XQWUAVIHCJAYDT-IXDOHACOSA-N 1 2 469.612 -0.285 20 0 JBADLO C[C@H](Cn1c([C@@H]2CCC(=O)N2)nnc1N1CCC[C@H](CNS(C)(=O)=O)C1)[NH+]1CCOCC1 ZINC001541849374 1068957932 /nfs/dbraw/zinc/95/79/32/1068957932.db2.gz XQWUAVIHCJAYDT-ZACQAIPSSA-N 1 2 469.612 -0.285 20 0 JBADLO C[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](CC(N)=O)C1)[NH+]1CCOCC1 ZINC001541856261 1068958925 /nfs/dbraw/zinc/95/89/25/1068958925.db2.gz SWGRZJPAXQQGQO-FGTMMUONSA-N 1 2 499.638 -0.577 20 0 JBADLO C[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](CC(N)=O)C1)[NH+]1CCOCC1 ZINC001541856262 1068958987 /nfs/dbraw/zinc/95/89/87/1068958987.db2.gz SWGRZJPAXQQGQO-KURKYZTESA-N 1 2 499.638 -0.577 20 0 JBADLO C[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](CC(N)=O)C1)[NH+]1CCOCC1 ZINC001541856263 1068958890 /nfs/dbraw/zinc/95/88/90/1068958890.db2.gz SWGRZJPAXQQGQO-KZNAEPCWSA-N 1 2 499.638 -0.577 20 0 JBADLO C[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](CC(N)=O)C1)[NH+]1CCOCC1 ZINC001541856264 1068958868 /nfs/dbraw/zinc/95/88/68/1068958868.db2.gz SWGRZJPAXQQGQO-SQNIBIBYSA-N 1 2 499.638 -0.577 20 0 JBADLO C[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC[C@H]1C)[NH+]1CCOCC1 ZINC001541856419 1068959001 /nfs/dbraw/zinc/95/90/01/1068959001.db2.gz VPTCFWMUEYNUJD-BRWVUGGUSA-N 1 2 458.585 -0.443 20 0 JBADLO C[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC[C@@H]1C)[NH+]1CCOCC1 ZINC001541856420 1068958876 /nfs/dbraw/zinc/95/88/76/1068958876.db2.gz VPTCFWMUEYNUJD-IKGGRYGDSA-N 1 2 458.585 -0.443 20 0 JBADLO C[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC[C@@H]1C)[NH+]1CCOCC1 ZINC001541856421 1068958976 /nfs/dbraw/zinc/95/89/76/1068958976.db2.gz VPTCFWMUEYNUJD-IXDOHACOSA-N 1 2 458.585 -0.443 20 0 JBADLO C[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC[C@H]1C)[NH+]1CCOCC1 ZINC001541856422 1068959437 /nfs/dbraw/zinc/95/94/37/1068959437.db2.gz VPTCFWMUEYNUJD-ZACQAIPSSA-N 1 2 458.585 -0.443 20 0 JBADLO C[C@@H](Cn1c(CN2CCCC2=O)nnc1N(C)C1CCN(S(C)(=O)=O)CC1)[NH+]1CCOCC1 ZINC001541863331 1068959414 /nfs/dbraw/zinc/95/94/14/1068959414.db2.gz AAUSRVHJXPXLQT-KRWDZBQOSA-N 1 2 483.639 -0.019 20 0 JBADLO C[C@H](Cn1c(CN2CCCC2=O)nnc1N(C)C1CCN(S(C)(=O)=O)CC1)[NH+]1CCOCC1 ZINC001541863332 1068959380 /nfs/dbraw/zinc/95/93/80/1068959380.db2.gz AAUSRVHJXPXLQT-QGZVFWFLSA-N 1 2 483.639 -0.019 20 0 JBADLO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)CC[NH+]2CCOCC2)n1CC(=O)NCC(F)(F)F ZINC001541916537 1068962393 /nfs/dbraw/zinc/96/23/93/1068962393.db2.gz KIVQGESESAYPNW-GFCCVEGCSA-N 1 2 471.506 -0.665 20 0 JBADLO C[C@H](NS(C)(=O)=O)c1nnc(N(C)CC[NH+]2CCOCC2)n1CC(=O)NCC(F)(F)F ZINC001541916538 1068962504 /nfs/dbraw/zinc/96/25/04/1068962504.db2.gz KIVQGESESAYPNW-LBPRGKRZSA-N 1 2 471.506 -0.665 20 0 JBADLO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H]3CCC(=O)N[C@@H]3C2)n1CC[N@H+]1CCOC[C@H]1C ZINC001541918871 1068963824 /nfs/dbraw/zinc/96/38/24/1068963824.db2.gz ALKTWVWQSFCFEC-FXUDXRNXSA-N 1 2 455.585 -0.676 20 0 JBADLO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H]3CCC(=O)N[C@@H]3C2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001541918871 1068963818 /nfs/dbraw/zinc/96/38/18/1068963818.db2.gz ALKTWVWQSFCFEC-FXUDXRNXSA-N 1 2 455.585 -0.676 20 0 JBADLO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H]3NC(=O)CC[C@H]3C2)n1CC[N@H+]1CCOC[C@H]1C ZINC001541918872 1068963870 /nfs/dbraw/zinc/96/38/70/1068963870.db2.gz ALKTWVWQSFCFEC-UGUYLWEFSA-N 1 2 455.585 -0.676 20 0 JBADLO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H]3NC(=O)CC[C@H]3C2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001541918872 1068963866 /nfs/dbraw/zinc/96/38/66/1068963866.db2.gz ALKTWVWQSFCFEC-UGUYLWEFSA-N 1 2 455.585 -0.676 20 0 JBADLO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H]3NC(=O)CC[C@H]3C2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001541918873 1068963935 /nfs/dbraw/zinc/96/39/35/1068963935.db2.gz ALKTWVWQSFCFEC-VGWMRTNUSA-N 1 2 455.585 -0.676 20 0 JBADLO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H]3NC(=O)CC[C@H]3C2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001541918873 1068963934 /nfs/dbraw/zinc/96/39/34/1068963934.db2.gz ALKTWVWQSFCFEC-VGWMRTNUSA-N 1 2 455.585 -0.676 20 0 JBADLO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H]3CCC(=O)N[C@@H]3C2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001541918874 1068963926 /nfs/dbraw/zinc/96/39/26/1068963926.db2.gz ALKTWVWQSFCFEC-YHUYYLMFSA-N 1 2 455.585 -0.676 20 0 JBADLO C[C@H](NS(C)(=O)=O)c1nnc(N2C[C@@H]3CCC(=O)N[C@@H]3C2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001541918874 1068963922 /nfs/dbraw/zinc/96/39/22/1068963922.db2.gz ALKTWVWQSFCFEC-YHUYYLMFSA-N 1 2 455.585 -0.676 20 0 JBADLO C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](N2CCCC2=O)C1)[NH+]1CCOCC1 ZINC001541927013 1068965651 /nfs/dbraw/zinc/96/56/51/1068965651.db2.gz CMBDKPCFQLTNSE-IKGGRYGDSA-N 1 2 469.612 -0.190 20 0 JBADLO C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](N2CCCC2=O)C1)[NH+]1CCOCC1 ZINC001541927014 1068965674 /nfs/dbraw/zinc/96/56/74/1068965674.db2.gz CMBDKPCFQLTNSE-IXDOHACOSA-N 1 2 469.612 -0.190 20 0 JBADLO C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@H](N2CCCC2=O)C1)[NH+]1CCOCC1 ZINC001541927015 1068965731 /nfs/dbraw/zinc/96/57/31/1068965731.db2.gz CMBDKPCFQLTNSE-ULQDDVLXSA-N 1 2 469.612 -0.190 20 0 JBADLO C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@H](N2CCCC2=O)C1)[NH+]1CCOCC1 ZINC001541927016 1068965691 /nfs/dbraw/zinc/96/56/91/1068965691.db2.gz CMBDKPCFQLTNSE-YESZJQIVSA-N 1 2 469.612 -0.190 20 0 JBADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](C[NH+]3CCOCC3)C2)n1CC1([S@@](C)=O)CC1 ZINC001541927999 1068966097 /nfs/dbraw/zinc/96/60/97/1068966097.db2.gz UHHASOFSKPPWEK-BODSMFSISA-N 1 2 474.653 -0.042 20 0 JBADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@H](C[NH+]3CCOCC3)C2)n1CC1([S@](C)=O)CC1 ZINC001541928000 1068966234 /nfs/dbraw/zinc/96/62/34/1068966234.db2.gz UHHASOFSKPPWEK-FUJBLVTHSA-N 1 2 474.653 -0.042 20 0 JBADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](C[NH+]3CCOCC3)C2)n1CC1([S@](C)=O)CC1 ZINC001541928001 1068966129 /nfs/dbraw/zinc/96/61/29/1068966129.db2.gz UHHASOFSKPPWEK-JDWNHOKZSA-N 1 2 474.653 -0.042 20 0 JBADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H](C[NH+]3CCOCC3)C2)n1CC1([S@@](C)=O)CC1 ZINC001541928002 1068966089 /nfs/dbraw/zinc/96/60/89/1068966089.db2.gz UHHASOFSKPPWEK-KIUMHBGESA-N 1 2 474.653 -0.042 20 0 JBADLO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(N3CCCNC3=O)CC2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001541929092 1068966713 /nfs/dbraw/zinc/96/67/13/1068966713.db2.gz MTNBXDKTGJGWBN-DLBZAZTESA-N 1 2 498.654 -0.007 20 0 JBADLO C[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCC(N2CCCNC2=O)CC1)[NH+]1CCOCC1 ZINC001541929093 1068966636 /nfs/dbraw/zinc/96/66/36/1068966636.db2.gz MTNBXDKTGJGWBN-IAGOWNOFSA-N 1 2 498.654 -0.007 20 0 JBADLO C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(N2CCCNC2=O)CC1)[NH+]1CCOCC1 ZINC001541929094 1068966662 /nfs/dbraw/zinc/96/66/62/1068966662.db2.gz MTNBXDKTGJGWBN-IRXDYDNUSA-N 1 2 498.654 -0.007 20 0 JBADLO C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCC(N2CCCNC2=O)CC1)[NH+]1CCOCC1 ZINC001541929095 1068967053 /nfs/dbraw/zinc/96/70/53/1068967053.db2.gz MTNBXDKTGJGWBN-SJORKVTESA-N 1 2 498.654 -0.007 20 0 JBADLO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(N3CCCNC3=O)CC2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001541929270 1068967085 /nfs/dbraw/zinc/96/70/85/1068967085.db2.gz PXFFQHNWJYSQSU-DLBZAZTESA-N 1 2 498.654 -0.007 20 0 JBADLO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(N3CCCNC3=O)CC2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001541929270 1068967083 /nfs/dbraw/zinc/96/70/83/1068967083.db2.gz PXFFQHNWJYSQSU-DLBZAZTESA-N 1 2 498.654 -0.007 20 0 JBADLO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(N3CCCNC3=O)CC2)n1CC[N@H+]1CCOC[C@H]1C ZINC001541929271 1068966979 /nfs/dbraw/zinc/96/69/79/1068966979.db2.gz PXFFQHNWJYSQSU-IAGOWNOFSA-N 1 2 498.654 -0.007 20 0 JBADLO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(N3CCCNC3=O)CC2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001541929271 1068966974 /nfs/dbraw/zinc/96/69/74/1068966974.db2.gz PXFFQHNWJYSQSU-IAGOWNOFSA-N 1 2 498.654 -0.007 20 0 JBADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(N3CCCNC3=O)CC2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001541929272 1068967023 /nfs/dbraw/zinc/96/70/23/1068967023.db2.gz PXFFQHNWJYSQSU-IRXDYDNUSA-N 1 2 498.654 -0.007 20 0 JBADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(N3CCCNC3=O)CC2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001541929272 1068967021 /nfs/dbraw/zinc/96/70/21/1068967021.db2.gz PXFFQHNWJYSQSU-IRXDYDNUSA-N 1 2 498.654 -0.007 20 0 JBADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(N3CCCNC3=O)CC2)n1CC[N@H+]1CCOC[C@H]1C ZINC001541929273 1068967126 /nfs/dbraw/zinc/96/71/26/1068967126.db2.gz PXFFQHNWJYSQSU-SJORKVTESA-N 1 2 498.654 -0.007 20 0 JBADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(N3CCCNC3=O)CC2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001541929273 1068967123 /nfs/dbraw/zinc/96/71/23/1068967123.db2.gz PXFFQHNWJYSQSU-SJORKVTESA-N 1 2 498.654 -0.007 20 0 JBADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C)C(=O)C2)n1Cc1ccc[nH+]c1N1CCOCC1 ZINC001541941051 1068970978 /nfs/dbraw/zinc/97/09/78/1068970978.db2.gz DBIHOHVBWFZYBZ-HNNXBMFYSA-N 1 2 478.579 -0.553 20 0 JBADLO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C)C(=O)C2)n1Cc1ccc[nH+]c1N1CCOCC1 ZINC001541941052 1068971005 /nfs/dbraw/zinc/97/10/05/1068971005.db2.gz DBIHOHVBWFZYBZ-OAHLLOKOSA-N 1 2 478.579 -0.553 20 0 JBADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(S(C)(=O)=O)CC2)n1CCc1cn2ccccc2[nH+]1 ZINC001541943757 1068974204 /nfs/dbraw/zinc/97/42/04/1068974204.db2.gz CSTJHSAOQZKFBU-HNNXBMFYSA-N 1 2 496.619 -0.140 20 0 JBADLO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(S(C)(=O)=O)CC2)n1CCc1cn2ccccc2[nH+]1 ZINC001541943758 1068974094 /nfs/dbraw/zinc/97/40/94/1068974094.db2.gz CSTJHSAOQZKFBU-OAHLLOKOSA-N 1 2 496.619 -0.140 20 0 JBADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C3CCOCC3)CC2)n1CC1(S(C)(=O)=O)CC1 ZINC001541944442 1068975607 /nfs/dbraw/zinc/97/56/07/1068975607.db2.gz QGXNQZIHMQUYIT-HNNXBMFYSA-N 1 2 490.652 -0.234 20 0 JBADLO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C3CCOCC3)CC2)n1CC1(S(C)(=O)=O)CC1 ZINC001541944443 1068975559 /nfs/dbraw/zinc/97/55/59/1068975559.db2.gz QGXNQZIHMQUYIT-OAHLLOKOSA-N 1 2 490.652 -0.234 20 0 JBADLO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C[C@@H]3CCOC3)CC2)n1CCCS(C)(=O)=O ZINC001541944832 1068976008 /nfs/dbraw/zinc/97/60/08/1068976008.db2.gz XZGCOWYOJBDQQO-CVEARBPZSA-N 1 2 478.641 -0.519 20 0 JBADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C[C@@H]3CCOC3)CC2)n1CCCS(C)(=O)=O ZINC001541944833 1068975959 /nfs/dbraw/zinc/97/59/59/1068975959.db2.gz XZGCOWYOJBDQQO-HOTGVXAUSA-N 1 2 478.641 -0.519 20 0 JBADLO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C[C@H]3CCOC3)CC2)n1CCCS(C)(=O)=O ZINC001541944834 1068975888 /nfs/dbraw/zinc/97/58/88/1068975888.db2.gz XZGCOWYOJBDQQO-HZPDHXFCSA-N 1 2 478.641 -0.519 20 0 JBADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[NH+](C[C@H]3CCOC3)CC2)n1CCCS(C)(=O)=O ZINC001541944835 1068976039 /nfs/dbraw/zinc/97/60/39/1068976039.db2.gz XZGCOWYOJBDQQO-JKSUJKDBSA-N 1 2 478.641 -0.519 20 0 JBADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+]3CCCC[C@@H]3C2)n1C[C@H]1CCS(=O)(=O)C1 ZINC001541945468 1068977191 /nfs/dbraw/zinc/97/71/91/1068977191.db2.gz HRMOPTBKGUBALG-ARFHVFGLSA-N 1 2 460.626 -0.003 20 0 JBADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+]3CCCC[C@@H]3C2)n1C[C@H]1CCS(=O)(=O)C1 ZINC001541945468 1068977190 /nfs/dbraw/zinc/97/71/90/1068977190.db2.gz HRMOPTBKGUBALG-ARFHVFGLSA-N 1 2 460.626 -0.003 20 0 JBADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+]3CCCC[C@@H]3C2)n1C[C@@H]1CCS(=O)(=O)C1 ZINC001541945469 1068977317 /nfs/dbraw/zinc/97/73/17/1068977317.db2.gz HRMOPTBKGUBALG-HRCADAONSA-N 1 2 460.626 -0.003 20 0 JBADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+]3CCCC[C@@H]3C2)n1C[C@@H]1CCS(=O)(=O)C1 ZINC001541945469 1068977316 /nfs/dbraw/zinc/97/73/16/1068977316.db2.gz HRMOPTBKGUBALG-HRCADAONSA-N 1 2 460.626 -0.003 20 0 JBADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+]3CCCC[C@H]3C2)n1C[C@@H]1CCS(=O)(=O)C1 ZINC001541945470 1068977286 /nfs/dbraw/zinc/97/72/86/1068977286.db2.gz HRMOPTBKGUBALG-JYJNAYRXSA-N 1 2 460.626 -0.003 20 0 JBADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+]3CCCC[C@H]3C2)n1C[C@@H]1CCS(=O)(=O)C1 ZINC001541945470 1068977284 /nfs/dbraw/zinc/97/72/84/1068977284.db2.gz HRMOPTBKGUBALG-JYJNAYRXSA-N 1 2 460.626 -0.003 20 0 JBADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+]3CCCC[C@H]3C2)n1C[C@H]1CCS(=O)(=O)C1 ZINC001541945471 1068977211 /nfs/dbraw/zinc/97/72/11/1068977211.db2.gz HRMOPTBKGUBALG-XHSDSOJGSA-N 1 2 460.626 -0.003 20 0 JBADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+]3CCCC[C@H]3C2)n1C[C@H]1CCS(=O)(=O)C1 ZINC001541945471 1068977205 /nfs/dbraw/zinc/97/72/05/1068977205.db2.gz HRMOPTBKGUBALG-XHSDSOJGSA-N 1 2 460.626 -0.003 20 0 JBADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+]3CCCC[C@@H]3C2)n1C[C@@]1(O)CCS(=O)(=O)C1 ZINC001541946160 1068979097 /nfs/dbraw/zinc/97/90/97/1068979097.db2.gz QORDNGQTWOYLKW-DAYGRLMNSA-N 1 2 476.625 -0.888 20 0 JBADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+]3CCCC[C@@H]3C2)n1C[C@@]1(O)CCS(=O)(=O)C1 ZINC001541946160 1068979093 /nfs/dbraw/zinc/97/90/93/1068979093.db2.gz QORDNGQTWOYLKW-DAYGRLMNSA-N 1 2 476.625 -0.888 20 0 JBADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+]3CCCC[C@@H]3C2)n1C[C@]1(O)CCS(=O)(=O)C1 ZINC001541946161 1068979156 /nfs/dbraw/zinc/97/91/56/1068979156.db2.gz QORDNGQTWOYLKW-HDMKZQKVSA-N 1 2 476.625 -0.888 20 0 JBADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+]3CCCC[C@@H]3C2)n1C[C@]1(O)CCS(=O)(=O)C1 ZINC001541946161 1068979152 /nfs/dbraw/zinc/97/91/52/1068979152.db2.gz QORDNGQTWOYLKW-HDMKZQKVSA-N 1 2 476.625 -0.888 20 0 JBADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+]3CCCC[C@H]3C2)n1C[C@@]1(O)CCS(=O)(=O)C1 ZINC001541946162 1068979233 /nfs/dbraw/zinc/97/92/33/1068979233.db2.gz QORDNGQTWOYLKW-MPGHIAIKSA-N 1 2 476.625 -0.888 20 0 JBADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+]3CCCC[C@H]3C2)n1C[C@@]1(O)CCS(=O)(=O)C1 ZINC001541946162 1068979229 /nfs/dbraw/zinc/97/92/29/1068979229.db2.gz QORDNGQTWOYLKW-MPGHIAIKSA-N 1 2 476.625 -0.888 20 0 JBADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@H+]3CCCC[C@H]3C2)n1C[C@]1(O)CCS(=O)(=O)C1 ZINC001541946163 1068979132 /nfs/dbraw/zinc/97/91/32/1068979132.db2.gz QORDNGQTWOYLKW-RLFYNMQTSA-N 1 2 476.625 -0.888 20 0 JBADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[N@@H+]3CCCC[C@H]3C2)n1C[C@]1(O)CCS(=O)(=O)C1 ZINC001541946163 1068979129 /nfs/dbraw/zinc/97/91/29/1068979129.db2.gz QORDNGQTWOYLKW-RLFYNMQTSA-N 1 2 476.625 -0.888 20 0 JBADLO CC1(C)COCC[N@H+]1CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001542014097 1068982759 /nfs/dbraw/zinc/98/27/59/1068982759.db2.gz TVLCRYHNKIGICM-DLBZAZTESA-N 1 2 499.638 -0.577 20 0 JBADLO CC1(C)COCC[N@@H+]1CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001542014097 1068982758 /nfs/dbraw/zinc/98/27/58/1068982758.db2.gz TVLCRYHNKIGICM-DLBZAZTESA-N 1 2 499.638 -0.577 20 0 JBADLO CC1(C)COCC[N@H+]1CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](C(N)=O)C1 ZINC001542014098 1068982602 /nfs/dbraw/zinc/98/26/02/1068982602.db2.gz TVLCRYHNKIGICM-IAGOWNOFSA-N 1 2 499.638 -0.577 20 0 JBADLO CC1(C)COCC[N@@H+]1CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](C(N)=O)C1 ZINC001542014098 1068982598 /nfs/dbraw/zinc/98/25/98/1068982598.db2.gz TVLCRYHNKIGICM-IAGOWNOFSA-N 1 2 499.638 -0.577 20 0 JBADLO CC1(C)COCC[N@H+]1CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001542014099 1068982679 /nfs/dbraw/zinc/98/26/79/1068982679.db2.gz TVLCRYHNKIGICM-IRXDYDNUSA-N 1 2 499.638 -0.577 20 0 JBADLO CC1(C)COCC[N@@H+]1CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C(N)=O)C1 ZINC001542014099 1068982675 /nfs/dbraw/zinc/98/26/75/1068982675.db2.gz TVLCRYHNKIGICM-IRXDYDNUSA-N 1 2 499.638 -0.577 20 0 JBADLO CC1(C)COCC[N@H+]1CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](C(N)=O)C1 ZINC001542014100 1068983142 /nfs/dbraw/zinc/98/31/42/1068983142.db2.gz TVLCRYHNKIGICM-SJORKVTESA-N 1 2 499.638 -0.577 20 0 JBADLO CC1(C)COCC[N@@H+]1CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@@H](C(N)=O)C1 ZINC001542014100 1068983135 /nfs/dbraw/zinc/98/31/35/1068983135.db2.gz TVLCRYHNKIGICM-SJORKVTESA-N 1 2 499.638 -0.577 20 0 JBADLO Cn1cc([C@@H]2[C@@H](C(=O)NCCC(=O)N3CCN(c4cccc[nH+]4)CC3)[C@@H](O)C(=O)N2C)cn1 ZINC001542485480 1068986073 /nfs/dbraw/zinc/98/60/73/1068986073.db2.gz ABKIOCOYHWSRNA-VAMGGRTRSA-N 1 2 455.519 -0.840 20 0 JBADLO Cc1n[nH]c(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[NH+](C[C@H]3CCCO3)CC2)n1 ZINC001542935166 1068989132 /nfs/dbraw/zinc/98/91/32/1068989132.db2.gz SYAJPCNCAIDNKN-GDBMZVCRSA-N 1 2 467.600 -0.141 20 0 JBADLO Cc1n[nH]c(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[NH+](C[C@H]3CCCO3)CC2)n1 ZINC001542935167 1068989020 /nfs/dbraw/zinc/98/90/20/1068989020.db2.gz SYAJPCNCAIDNKN-GOEBONIOSA-N 1 2 467.600 -0.141 20 0 JBADLO Cc1n[nH]c(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[NH+](C[C@@H]3CCCO3)CC2)n1 ZINC001542935168 1068989102 /nfs/dbraw/zinc/98/91/02/1068989102.db2.gz SYAJPCNCAIDNKN-HOCLYGCPSA-N 1 2 467.600 -0.141 20 0 JBADLO Cc1n[nH]c(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[NH+](C[C@@H]3CCCO3)CC2)n1 ZINC001542935169 1068988931 /nfs/dbraw/zinc/98/89/31/1068988931.db2.gz SYAJPCNCAIDNKN-ZBFHGGJFSA-N 1 2 467.600 -0.141 20 0 JBADLO Cc1nc(N2CCN(c3nnc([C@@H](C)NS(C)(=O)=O)n3CC(=O)N(C)C)CC2)cc[nH+]1 ZINC001542968303 1068989651 /nfs/dbraw/zinc/98/96/51/1068989651.db2.gz NKFPASLUUUMETA-CYBMUJFWSA-N 1 2 451.557 -0.598 20 0 JBADLO Cc1nc(N2CCN(c3nnc([C@H](C)NS(C)(=O)=O)n3CC(=O)N(C)C)CC2)cc[nH+]1 ZINC001542968304 1068989624 /nfs/dbraw/zinc/98/96/24/1068989624.db2.gz NKFPASLUUUMETA-ZDUSSCGKSA-N 1 2 451.557 -0.598 20 0 JBADLO CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)N[C@H]3CCC[N@@H+](CC(N)=O)C3)cc2)CC1 ZINC001542977899 1068990003 /nfs/dbraw/zinc/99/00/03/1068990003.db2.gz APVCPAHMCQIDTD-KRWDZBQOSA-N 1 2 451.549 -0.781 20 0 JBADLO CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)N[C@H]3CCC[N@H+](CC(N)=O)C3)cc2)CC1 ZINC001542977899 1068989998 /nfs/dbraw/zinc/98/99/98/1068989998.db2.gz APVCPAHMCQIDTD-KRWDZBQOSA-N 1 2 451.549 -0.781 20 0 JBADLO CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)N[C@@H]3CCC[N@@H+](CC(N)=O)C3)cc2)CC1 ZINC001542977900 1068990041 /nfs/dbraw/zinc/99/00/41/1068990041.db2.gz APVCPAHMCQIDTD-QGZVFWFLSA-N 1 2 451.549 -0.781 20 0 JBADLO CC(=O)N1CCN(S(=O)(=O)c2ccc(C(=O)N[C@@H]3CCC[N@H+](CC(N)=O)C3)cc2)CC1 ZINC001542977900 1068990037 /nfs/dbraw/zinc/99/00/37/1068990037.db2.gz APVCPAHMCQIDTD-QGZVFWFLSA-N 1 2 451.549 -0.781 20 0 JBADLO Cc1nnc(N2CC[NH+](C[C@H]3CN(C(C)C)CCO3)CC2)n1CCOCCS(C)(=O)=O ZINC001543330220 1068993492 /nfs/dbraw/zinc/99/34/92/1068993492.db2.gz AGUFZBSORNGELF-IBGZPJMESA-N 1 2 458.629 -0.121 20 0 JBADLO Cc1nnc(N2CC[NH+](C[C@@H]3CN(C(C)C)CCO3)CC2)n1CCOCCS(C)(=O)=O ZINC001543330221 1068993584 /nfs/dbraw/zinc/99/35/84/1068993584.db2.gz AGUFZBSORNGELF-LJQANCHMSA-N 1 2 458.629 -0.121 20 0 JBADLO Cc1cc(C[NH+]2CCN(c3nnc([C@@H](C)NS(C)(=O)=O)n3C[C@@]3(C)CN(C)C3=O)CC2)on1 ZINC001543462071 1068994385 /nfs/dbraw/zinc/99/43/85/1068994385.db2.gz FYPGFQSCGUSYIJ-FOIQADDNSA-N 1 2 480.595 -0.015 20 0 JBADLO Cc1cc(C[NH+]2CCN(c3nnc([C@H](C)NS(C)(=O)=O)n3C[C@@]3(C)CN(C)C3=O)CC2)on1 ZINC001543462076 1068994370 /nfs/dbraw/zinc/99/43/70/1068994370.db2.gz FYPGFQSCGUSYIJ-MGPUTAFESA-N 1 2 480.595 -0.015 20 0 JBADLO Cc1cc(C[NH+]2CCN(c3nnc([C@@H](C)NS(C)(=O)=O)n3C[C@]3(C)CN(C)C3=O)CC2)on1 ZINC001543462079 1068994457 /nfs/dbraw/zinc/99/44/57/1068994457.db2.gz FYPGFQSCGUSYIJ-QRWLVFNGSA-N 1 2 480.595 -0.015 20 0 JBADLO Cc1cc(C[NH+]2CCN(c3nnc([C@H](C)NS(C)(=O)=O)n3C[C@]3(C)CN(C)C3=O)CC2)on1 ZINC001543462083 1068994508 /nfs/dbraw/zinc/99/45/08/1068994508.db2.gz FYPGFQSCGUSYIJ-YWZLYKJASA-N 1 2 480.595 -0.015 20 0 JBADLO Cc1cc(C[NH+]2CCN(c3nnc([C@H](C)NS(C)(=O)=O)n3CC(=O)N(C)C)CC2)on1 ZINC001543462315 1068994325 /nfs/dbraw/zinc/99/43/25/1068994325.db2.gz HAQVCYQJUPXKSL-AWEZNQCLSA-N 1 2 454.557 -0.405 20 0 JBADLO Cc1cc(C[NH+]2CCN(c3nnc([C@@H](C)NS(C)(=O)=O)n3CC(=O)N(C)C)CC2)on1 ZINC001543462320 1068994272 /nfs/dbraw/zinc/99/42/72/1068994272.db2.gz HAQVCYQJUPXKSL-CQSZACIVSA-N 1 2 454.557 -0.405 20 0 JBADLO CSc1nc(C)c(CCC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c(=O)[nH]1 ZINC001543693982 1068995886 /nfs/dbraw/zinc/99/58/86/1068995886.db2.gz KHIRLTQGZUUDKT-UHFFFAOYSA-N 1 2 458.610 -0.218 20 0 JBADLO CC(=O)N(CCc1ccccc1)CC(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1 ZINC001543694008 1068995904 /nfs/dbraw/zinc/99/59/04/1068995904.db2.gz LANPIIWYMCTMQE-UHFFFAOYSA-N 1 2 451.593 -0.286 20 0 JBADLO CCN1C(=O)C[C@H](C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)[C@H]1c1cccnc1 ZINC001543694071 1068995971 /nfs/dbraw/zinc/99/59/71/1068995971.db2.gz NARALZJPVOIFGW-AZUAARDMSA-N 1 2 464.592 -0.373 20 0 JBADLO Cc1cc(S(C)(=O)=O)cc(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1C ZINC001543694157 1068995988 /nfs/dbraw/zinc/99/59/88/1068995988.db2.gz QMDAUFZWNIJODZ-UHFFFAOYSA-N 1 2 458.606 -0.043 20 0 JBADLO C[C@H](Sc1ccccc1C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)C(N)=O ZINC001543694200 1068995854 /nfs/dbraw/zinc/99/58/54/1068995854.db2.gz SGDAKPXUMKRDHF-HNNXBMFYSA-N 1 2 455.606 -0.098 20 0 JBADLO C[C@@H](Sc1ccccc1C(=O)N1CCN(S(=O)(=O)N2CC[NH+](C)CC2)CC1)C(N)=O ZINC001543694201 1068995917 /nfs/dbraw/zinc/99/59/17/1068995917.db2.gz SGDAKPXUMKRDHF-OAHLLOKOSA-N 1 2 455.606 -0.098 20 0 JBADLO C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC001543784766 1068996511 /nfs/dbraw/zinc/99/65/11/1068996511.db2.gz VJLVIUAPWHZEQW-AUUYWEPGSA-N 1 2 456.590 -0.224 20 0 JBADLO C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC001543784768 1068996931 /nfs/dbraw/zinc/99/69/31/1068996931.db2.gz VJLVIUAPWHZEQW-IFXJQAMLSA-N 1 2 456.590 -0.224 20 0 JBADLO C[C@@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC001543784770 1068996820 /nfs/dbraw/zinc/99/68/20/1068996820.db2.gz VJLVIUAPWHZEQW-KUHUBIRLSA-N 1 2 456.590 -0.224 20 0 JBADLO C[C@H](NS(=O)(=O)c1ccc(C(N)=O)cc1)C(=O)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC001543784771 1068996944 /nfs/dbraw/zinc/99/69/44/1068996944.db2.gz VJLVIUAPWHZEQW-LIRRHRJNSA-N 1 2 456.590 -0.224 20 0 JBADLO C[C@@H]1CCC[C@@]1(O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001543931082 1068996903 /nfs/dbraw/zinc/99/69/03/1068996903.db2.gz ZCOCTJTUQPFOJU-DBXWQHBBSA-N 1 2 486.639 -0.070 20 0 JBADLO C[C@@H]1CCC[C@]1(O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001543931083 1068997015 /nfs/dbraw/zinc/99/70/15/1068997015.db2.gz ZCOCTJTUQPFOJU-LQWHRVPQSA-N 1 2 486.639 -0.070 20 0 JBADLO C[C@@H]1CCC[C@@]1(O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001543931084 1068997043 /nfs/dbraw/zinc/99/70/43/1068997043.db2.gz ZCOCTJTUQPFOJU-LVCYWYKZSA-N 1 2 486.639 -0.070 20 0 JBADLO C[C@@H]1CCC[C@]1(O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001543931085 1068996877 /nfs/dbraw/zinc/99/68/77/1068996877.db2.gz ZCOCTJTUQPFOJU-OPYAIIAOSA-N 1 2 486.639 -0.070 20 0 JBADLO O=C(CCC(=O)N1CCN(c2cccc[nH+]2)CC1)NCCC(=O)N[C@H]1CCS(=O)(=O)C1 ZINC001544030283 1068997415 /nfs/dbraw/zinc/99/74/15/1068997415.db2.gz JLWPPKDVZRJWKW-INIZCTEOSA-N 1 2 451.549 -0.680 20 0 JBADLO O=C(CCC(=O)N1CCN(c2cccc[nH+]2)CC1)NCCC(=O)N[C@@H]1CCS(=O)(=O)C1 ZINC001544030286 1068997527 /nfs/dbraw/zinc/99/75/27/1068997527.db2.gz JLWPPKDVZRJWKW-MRXNPFEDSA-N 1 2 451.549 -0.680 20 0 JBADLO CCN1C(=O)c2ccc(C(=O)N[C@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)cc2S1(=O)=O ZINC001544476199 1068998516 /nfs/dbraw/zinc/99/85/16/1068998516.db2.gz GGVIPRSPCIKBDR-HNNXBMFYSA-N 1 2 450.517 -0.486 20 0 JBADLO CCN1C(=O)c2ccc(C(=O)N[C@@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)cc2S1(=O)=O ZINC001544476203 1068998507 /nfs/dbraw/zinc/99/85/07/1068998507.db2.gz GGVIPRSPCIKBDR-OAHLLOKOSA-N 1 2 450.517 -0.486 20 0 JBADLO COc1cc(C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc(Cl)c1OCC(N)=O ZINC001544477587 1068998989 /nfs/dbraw/zinc/99/89/89/1068998989.db2.gz ZUCCTZYHWHDSSD-AWEZNQCLSA-N 1 2 454.911 -0.124 20 0 JBADLO COc1cc(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc(Cl)c1OCC(N)=O ZINC001544477589 1068998899 /nfs/dbraw/zinc/99/88/99/1068998899.db2.gz ZUCCTZYHWHDSSD-CQSZACIVSA-N 1 2 454.911 -0.124 20 0 JBADLO C[C@@H]1CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@H+]2CCOC[C@H]2C)C[C@H](C)O1 ZINC001544922611 1069003975 /nfs/dbraw/zinc/00/39/75/1069003975.db2.gz BNIUAUPGDIKETI-BDXSIMOUSA-N 1 2 472.612 -0.055 20 0 JBADLO C[C@@H]1CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@@H+]2CCOC[C@H]2C)C[C@H](C)O1 ZINC001544922611 1069003960 /nfs/dbraw/zinc/00/39/60/1069003960.db2.gz BNIUAUPGDIKETI-BDXSIMOUSA-N 1 2 472.612 -0.055 20 0 JBADLO C[C@@H]1CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@H+]2CCOC[C@@H]2C)C[C@H](C)O1 ZINC001544922623 1069003928 /nfs/dbraw/zinc/00/39/28/1069003928.db2.gz BNIUAUPGDIKETI-FJIDUMEYSA-N 1 2 472.612 -0.055 20 0 JBADLO C[C@@H]1CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@@H+]2CCOC[C@@H]2C)C[C@H](C)O1 ZINC001544922623 1069003910 /nfs/dbraw/zinc/00/39/10/1069003910.db2.gz BNIUAUPGDIKETI-FJIDUMEYSA-N 1 2 472.612 -0.055 20 0 JBADLO C[C@@H]1CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@H+]2CCOC[C@@H]2C)C[C@@H](C)O1 ZINC001544922628 1069004632 /nfs/dbraw/zinc/00/46/32/1069004632.db2.gz BNIUAUPGDIKETI-MLHJIOFPSA-N 1 2 472.612 -0.055 20 0 JBADLO C[C@@H]1CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@@H+]2CCOC[C@@H]2C)C[C@@H](C)O1 ZINC001544922628 1069004623 /nfs/dbraw/zinc/00/46/23/1069004623.db2.gz BNIUAUPGDIKETI-MLHJIOFPSA-N 1 2 472.612 -0.055 20 0 JBADLO C[C@@H]1CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@H+]2CCOC[C@H]2C)C[C@@H](C)O1 ZINC001544922635 1069004507 /nfs/dbraw/zinc/00/45/07/1069004507.db2.gz BNIUAUPGDIKETI-TVFCKZIOSA-N 1 2 472.612 -0.055 20 0 JBADLO C[C@@H]1CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@@H+]2CCOC[C@H]2C)C[C@@H](C)O1 ZINC001544922635 1069004488 /nfs/dbraw/zinc/00/44/88/1069004488.db2.gz BNIUAUPGDIKETI-TVFCKZIOSA-N 1 2 472.612 -0.055 20 0 JBADLO C[C@H]1CN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC(C)(C)[NH+]2CCOCC2)CC(=O)N1C ZINC001544924576 1069004930 /nfs/dbraw/zinc/00/49/30/1069004930.db2.gz JQWQSUKIGHMNHW-DLBZAZTESA-N 1 2 499.638 -0.611 20 0 JBADLO C[C@@H]1CN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC(C)(C)[NH+]2CCOCC2)CC(=O)N1C ZINC001544924594 1069005180 /nfs/dbraw/zinc/00/51/80/1069005180.db2.gz JQWQSUKIGHMNHW-IAGOWNOFSA-N 1 2 499.638 -0.611 20 0 JBADLO C[C@H]1CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC(C)(C)[NH+]2CCOCC2)CC(=O)N1C ZINC001544924598 1069004965 /nfs/dbraw/zinc/00/49/65/1069004965.db2.gz JQWQSUKIGHMNHW-IRXDYDNUSA-N 1 2 499.638 -0.611 20 0 JBADLO C[C@@H]1CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC(C)(C)[NH+]2CCOCC2)CC(=O)N1C ZINC001544924601 1069005052 /nfs/dbraw/zinc/00/50/52/1069005052.db2.gz JQWQSUKIGHMNHW-SJORKVTESA-N 1 2 499.638 -0.611 20 0 JBADLO C[C@@H]1CN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@H+]2CCOC[C@@H]2C)C[C@H](C)O1 ZINC001545124930 1069008300 /nfs/dbraw/zinc/00/83/00/1069008300.db2.gz BNIUAUPGDIKETI-WNRNVDISSA-N 1 2 472.612 -0.055 20 0 JBADLO C[C@@H]1CN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@@H+]2CCOC[C@@H]2C)C[C@H](C)O1 ZINC001545124930 1069008289 /nfs/dbraw/zinc/00/82/89/1069008289.db2.gz BNIUAUPGDIKETI-WNRNVDISSA-N 1 2 472.612 -0.055 20 0 JBADLO C[C@@H]1CN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@H+]2CCOC[C@H]2C)C[C@H](C)O1 ZINC001545124931 1069008885 /nfs/dbraw/zinc/00/88/85/1069008885.db2.gz BNIUAUPGDIKETI-ZJPYXAASSA-N 1 2 472.612 -0.055 20 0 JBADLO C[C@@H]1CN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@@H+]2CCOC[C@H]2C)C[C@H](C)O1 ZINC001545124931 1069008878 /nfs/dbraw/zinc/00/88/78/1069008878.db2.gz BNIUAUPGDIKETI-ZJPYXAASSA-N 1 2 472.612 -0.055 20 0 JBADLO C[C@H]1COCC[N@H+]1CCn1c(CN2CCCC2=O)nnc1N1CCCN(S(C)(=O)=O)CC1 ZINC001545125144 1069008614 /nfs/dbraw/zinc/00/86/14/1069008614.db2.gz GNKYNECZQBFTCU-KRWDZBQOSA-N 1 2 469.612 -0.407 20 0 JBADLO C[C@H]1COCC[N@@H+]1CCn1c(CN2CCCC2=O)nnc1N1CCCN(S(C)(=O)=O)CC1 ZINC001545125144 1069008597 /nfs/dbraw/zinc/00/85/97/1069008597.db2.gz GNKYNECZQBFTCU-KRWDZBQOSA-N 1 2 469.612 -0.407 20 0 JBADLO C[C@@H]1COCC[N@H+]1CCn1c(CN2CCCC2=O)nnc1N1CCCN(S(C)(=O)=O)CC1 ZINC001545125145 1069008768 /nfs/dbraw/zinc/00/87/68/1069008768.db2.gz GNKYNECZQBFTCU-QGZVFWFLSA-N 1 2 469.612 -0.407 20 0 JBADLO C[C@@H]1COCC[N@@H+]1CCn1c(CN2CCCC2=O)nnc1N1CCCN(S(C)(=O)=O)CC1 ZINC001545125145 1069008755 /nfs/dbraw/zinc/00/87/55/1069008755.db2.gz GNKYNECZQBFTCU-QGZVFWFLSA-N 1 2 469.612 -0.407 20 0 JBADLO C[C@@H]1COCC[N@H+]1CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](C)(C(N)=O)C1 ZINC001545126142 1069008805 /nfs/dbraw/zinc/00/88/05/1069008805.db2.gz XVUHSGXHUHFYRA-GQIGUUNPSA-N 1 2 485.611 -0.967 20 0 JBADLO C[C@@H]1COCC[N@@H+]1CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](C)(C(N)=O)C1 ZINC001545126142 1069008793 /nfs/dbraw/zinc/00/87/93/1069008793.db2.gz XVUHSGXHUHFYRA-GQIGUUNPSA-N 1 2 485.611 -0.967 20 0 JBADLO C[C@@H]1COCC[N@H+]1CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](C)(C(N)=O)C1 ZINC001545126143 1069008422 /nfs/dbraw/zinc/00/84/22/1069008422.db2.gz XVUHSGXHUHFYRA-GUXCAODWSA-N 1 2 485.611 -0.967 20 0 JBADLO C[C@@H]1COCC[N@@H+]1CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](C)(C(N)=O)C1 ZINC001545126143 1069008406 /nfs/dbraw/zinc/00/84/06/1069008406.db2.gz XVUHSGXHUHFYRA-GUXCAODWSA-N 1 2 485.611 -0.967 20 0 JBADLO C[C@@H]1COCC[N@H+]1CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](C)(C(N)=O)C1 ZINC001545126144 1069008349 /nfs/dbraw/zinc/00/83/49/1069008349.db2.gz XVUHSGXHUHFYRA-JXXFODFXSA-N 1 2 485.611 -0.967 20 0 JBADLO C[C@@H]1COCC[N@@H+]1CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@@](C)(C(N)=O)C1 ZINC001545126144 1069008329 /nfs/dbraw/zinc/00/83/29/1069008329.db2.gz XVUHSGXHUHFYRA-JXXFODFXSA-N 1 2 485.611 -0.967 20 0 JBADLO C[C@@H]1COCC[N@H+]1CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](C)(C(N)=O)C1 ZINC001545126145 1069008842 /nfs/dbraw/zinc/00/88/42/1069008842.db2.gz XVUHSGXHUHFYRA-QINHECLXSA-N 1 2 485.611 -0.967 20 0 JBADLO C[C@@H]1COCC[N@@H+]1CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CC[C@](C)(C(N)=O)C1 ZINC001545126145 1069008827 /nfs/dbraw/zinc/00/88/27/1069008827.db2.gz XVUHSGXHUHFYRA-QINHECLXSA-N 1 2 485.611 -0.967 20 0 JBADLO O=C(CCC(=O)N1CCN(c2cccc[nH+]2)CC1)NCCNS(=O)(=O)Cc1ccon1 ZINC001545185039 1069011274 /nfs/dbraw/zinc/01/12/74/1069011274.db2.gz PYEAZCYNLXJYPX-UHFFFAOYSA-N 1 2 450.521 -0.266 20 0 JBADLO CCc1nnc(N2CCN(C(=O)C(=O)N3CCCC3)CC2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001546520308 1069014788 /nfs/dbraw/zinc/01/47/88/1069014788.db2.gz YSONVBMOGURYKB-UHFFFAOYSA-N 1 2 460.583 -0.724 20 0 JBADLO CCc1nnc(N2CC[NH+](C[C@@H]3CN(C(C)C)CCO3)CC2)n1CCS(=O)(=O)N(C)C ZINC001546541129 1069015239 /nfs/dbraw/zinc/01/52/39/1069015239.db2.gz JXJXDWVOTVSKRU-GOSISDBHSA-N 1 2 457.645 -0.037 20 0 JBADLO CCc1nnc(N2CC[NH+](C[C@H]3CN(C(C)C)CCO3)CC2)n1CCS(=O)(=O)N(C)C ZINC001546541130 1069015320 /nfs/dbraw/zinc/01/53/20/1069015320.db2.gz JXJXDWVOTVSKRU-SFHVURJKSA-N 1 2 457.645 -0.037 20 0 JBADLO CC[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2C[C@]2(O)CCS(=O)(=O)C2)CC[N@H+]1CCOC ZINC001546705670 1069019151 /nfs/dbraw/zinc/01/91/51/1069019151.db2.gz RLIJCTKQEOLHIE-DYESRHJHSA-N 1 2 484.623 -0.389 20 0 JBADLO CC[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2C[C@]2(O)CCS(=O)(=O)C2)CC[N@@H+]1CCOC ZINC001546705670 1069019134 /nfs/dbraw/zinc/01/91/34/1069019134.db2.gz RLIJCTKQEOLHIE-DYESRHJHSA-N 1 2 484.623 -0.389 20 0 JBADLO CC[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2C[C@]2(O)CCS(=O)(=O)C2)CC[N@H+]1CCOC ZINC001546705671 1069019438 /nfs/dbraw/zinc/01/94/38/1069019438.db2.gz RLIJCTKQEOLHIE-LAUBAEHRSA-N 1 2 484.623 -0.389 20 0 JBADLO CC[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2C[C@]2(O)CCS(=O)(=O)C2)CC[N@@H+]1CCOC ZINC001546705671 1069019431 /nfs/dbraw/zinc/01/94/31/1069019431.db2.gz RLIJCTKQEOLHIE-LAUBAEHRSA-N 1 2 484.623 -0.389 20 0 JBADLO CC[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC[N@H+]1CCOC ZINC001546705672 1069019214 /nfs/dbraw/zinc/01/92/14/1069019214.db2.gz RLIJCTKQEOLHIE-UTKZUKDTSA-N 1 2 484.623 -0.389 20 0 JBADLO CC[C@@H]1CN(c2nnc(C(=O)N3CCCC3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC[N@@H+]1CCOC ZINC001546705672 1069019193 /nfs/dbraw/zinc/01/91/93/1069019193.db2.gz RLIJCTKQEOLHIE-UTKZUKDTSA-N 1 2 484.623 -0.389 20 0 JBADLO CC[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC[N@H+]1CCOC ZINC001546705673 1069018944 /nfs/dbraw/zinc/01/89/44/1069018944.db2.gz RLIJCTKQEOLHIE-UWJYYQICSA-N 1 2 484.623 -0.389 20 0 JBADLO CC[C@H]1CN(c2nnc(C(=O)N3CCCC3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC[N@@H+]1CCOC ZINC001546705673 1069018925 /nfs/dbraw/zinc/01/89/25/1069018925.db2.gz RLIJCTKQEOLHIE-UWJYYQICSA-N 1 2 484.623 -0.389 20 0 JBADLO CC[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCNC(=O)c2ccn[nH]2)CC[N@H+]1CCOC ZINC001546751165 1069020671 /nfs/dbraw/zinc/02/06/71/1069020671.db2.gz LWOGYCDDEWNIMI-DLBZAZTESA-N 1 2 494.622 -0.120 20 0 JBADLO CC[C@@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCNC(=O)c2ccn[nH]2)CC[N@@H+]1CCOC ZINC001546751165 1069020659 /nfs/dbraw/zinc/02/06/59/1069020659.db2.gz LWOGYCDDEWNIMI-DLBZAZTESA-N 1 2 494.622 -0.120 20 0 JBADLO CC[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCNC(=O)c2ccn[nH]2)CC[N@H+]1CCOC ZINC001546751166 1069020859 /nfs/dbraw/zinc/02/08/59/1069020859.db2.gz LWOGYCDDEWNIMI-IAGOWNOFSA-N 1 2 494.622 -0.120 20 0 JBADLO CC[C@@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCNC(=O)c2ccn[nH]2)CC[N@@H+]1CCOC ZINC001546751166 1069020849 /nfs/dbraw/zinc/02/08/49/1069020849.db2.gz LWOGYCDDEWNIMI-IAGOWNOFSA-N 1 2 494.622 -0.120 20 0 JBADLO CC[C@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCNC(=O)c2ccn[nH]2)CC[N@H+]1CCOC ZINC001546751167 1069021320 /nfs/dbraw/zinc/02/13/20/1069021320.db2.gz LWOGYCDDEWNIMI-IRXDYDNUSA-N 1 2 494.622 -0.120 20 0 JBADLO CC[C@H]1CN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCNC(=O)c2ccn[nH]2)CC[N@@H+]1CCOC ZINC001546751167 1069021301 /nfs/dbraw/zinc/02/13/01/1069021301.db2.gz LWOGYCDDEWNIMI-IRXDYDNUSA-N 1 2 494.622 -0.120 20 0 JBADLO CC[C@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCNC(=O)c2ccn[nH]2)CC[N@H+]1CCOC ZINC001546751168 1069020764 /nfs/dbraw/zinc/02/07/64/1069020764.db2.gz LWOGYCDDEWNIMI-SJORKVTESA-N 1 2 494.622 -0.120 20 0 JBADLO CC[C@H]1CN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCNC(=O)c2ccn[nH]2)CC[N@@H+]1CCOC ZINC001546751168 1069020749 /nfs/dbraw/zinc/02/07/49/1069020749.db2.gz LWOGYCDDEWNIMI-SJORKVTESA-N 1 2 494.622 -0.120 20 0 JBADLO CCC[C@@](C)(O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001546847151 1069023611 /nfs/dbraw/zinc/02/36/11/1069023611.db2.gz YTOSIQAENPZCJY-FXAWDEMLSA-N 1 2 474.628 -0.070 20 0 JBADLO CCC[C@](C)(O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001546847152 1069023392 /nfs/dbraw/zinc/02/33/92/1069023392.db2.gz YTOSIQAENPZCJY-PXNSSMCTSA-N 1 2 474.628 -0.070 20 0 JBADLO CCC[C@](C)(O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001546847153 1069023655 /nfs/dbraw/zinc/02/36/55/1069023655.db2.gz YTOSIQAENPZCJY-XLIONFOSSA-N 1 2 474.628 -0.070 20 0 JBADLO CCC[C@@](C)(O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001546847154 1069023722 /nfs/dbraw/zinc/02/37/22/1069023722.db2.gz YTOSIQAENPZCJY-YLJYHZDGSA-N 1 2 474.628 -0.070 20 0 JBADLO CCC[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2C[C@]2(O)CCS(=O)(=O)C2)CC[N@H+]1CCOC ZINC001546954325 1069024756 /nfs/dbraw/zinc/02/47/56/1069024756.db2.gz WKTARBNJRYGBRY-CBGDNZLLSA-N 1 2 484.623 -0.284 20 0 JBADLO CCC[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2C[C@]2(O)CCS(=O)(=O)C2)CC[N@@H+]1CCOC ZINC001546954325 1069024740 /nfs/dbraw/zinc/02/47/40/1069024740.db2.gz WKTARBNJRYGBRY-CBGDNZLLSA-N 1 2 484.623 -0.284 20 0 JBADLO CCC[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@]2(O)CCS(=O)(=O)C2)CC[N@H+]1CCOC ZINC001546954326 1069024518 /nfs/dbraw/zinc/02/45/18/1069024518.db2.gz WKTARBNJRYGBRY-LLGFUMIMSA-N 1 2 484.623 -0.284 20 0 JBADLO CCC[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@]2(O)CCS(=O)(=O)C2)CC[N@@H+]1CCOC ZINC001546954326 1069024488 /nfs/dbraw/zinc/02/44/88/1069024488.db2.gz WKTARBNJRYGBRY-LLGFUMIMSA-N 1 2 484.623 -0.284 20 0 JBADLO CCC[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC[N@H+]1CCOC ZINC001546954327 1069024231 /nfs/dbraw/zinc/02/42/31/1069024231.db2.gz WKTARBNJRYGBRY-LZJOCLMNSA-N 1 2 484.623 -0.284 20 0 JBADLO CCC[C@@H]1CN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC[N@@H+]1CCOC ZINC001546954327 1069024215 /nfs/dbraw/zinc/02/42/15/1069024215.db2.gz WKTARBNJRYGBRY-LZJOCLMNSA-N 1 2 484.623 -0.284 20 0 JBADLO CCC[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC[N@H+]1CCOC ZINC001546954328 1069024693 /nfs/dbraw/zinc/02/46/93/1069024693.db2.gz WKTARBNJRYGBRY-WWMYMODYSA-N 1 2 484.623 -0.284 20 0 JBADLO CCC[C@@H]1CN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@]2(O)CCS(=O)(=O)C2)CC[N@@H+]1CCOC ZINC001546954328 1069024675 /nfs/dbraw/zinc/02/46/75/1069024675.db2.gz WKTARBNJRYGBRY-WWMYMODYSA-N 1 2 484.623 -0.284 20 0 JBADLO CCCN1CCCN(c2nnc([C@H]3CCC(=O)N3)n2CC[NH+]2CCN(C(C)=O)CC2)CC1=O ZINC001547202288 1069027169 /nfs/dbraw/zinc/02/71/69/1069027169.db2.gz CFJIKKIFTPLZBU-GOSISDBHSA-N 1 2 460.583 -0.158 20 0 JBADLO CCCN1CCCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[NH+]2CCN(C(C)=O)CC2)CC1=O ZINC001547202289 1069027084 /nfs/dbraw/zinc/02/70/84/1069027084.db2.gz CFJIKKIFTPLZBU-SFHVURJKSA-N 1 2 460.583 -0.158 20 0 JBADLO CCN(CC)C(=O)CN1CCN(c2nnc([C@H]3CCOC3)n2CC[NH+]2CCN(C(C)=O)CC2)CC1 ZINC001547417516 1069034972 /nfs/dbraw/zinc/03/49/72/1069034972.db2.gz PBPQANDUPFLCDL-NRFANRHFSA-N 1 2 490.653 -0.064 20 0 JBADLO CCN(CC)C(=O)CN1CCN(c2nnc([C@@H]3CCOC3)n2CC[NH+]2CCN(C(C)=O)CC2)CC1 ZINC001547417518 1069034944 /nfs/dbraw/zinc/03/49/44/1069034944.db2.gz PBPQANDUPFLCDL-OAQYLSRUSA-N 1 2 490.653 -0.064 20 0 JBADLO CC[N@H+]1C[C@H](C)N(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCS(C)(=O)=O)C[C@@H]1C ZINC001547646912 1069046635 /nfs/dbraw/zinc/04/66/35/1069046635.db2.gz PNHQZKWEAPMROM-HRCADAONSA-N 1 2 478.641 -0.426 20 0 JBADLO CC[N@@H+]1C[C@H](C)N(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCS(C)(=O)=O)C[C@@H]1C ZINC001547646912 1069046627 /nfs/dbraw/zinc/04/66/27/1069046627.db2.gz PNHQZKWEAPMROM-HRCADAONSA-N 1 2 478.641 -0.426 20 0 JBADLO CC[N@H+]1C[C@H](C)N(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCS(C)(=O)=O)C[C@@H]1C ZINC001547646913 1069047131 /nfs/dbraw/zinc/04/71/31/1069047131.db2.gz PNHQZKWEAPMROM-JYJNAYRXSA-N 1 2 478.641 -0.426 20 0 JBADLO CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCS(C)(=O)=O)C[C@@H]1C ZINC001547646913 1069047122 /nfs/dbraw/zinc/04/71/22/1069047122.db2.gz PNHQZKWEAPMROM-JYJNAYRXSA-N 1 2 478.641 -0.426 20 0 JBADLO CC[N@H+]1C[C@H](C)N(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCS(C)(=O)=O)C[C@H]1C ZINC001547646914 1069047046 /nfs/dbraw/zinc/04/70/46/1069047046.db2.gz PNHQZKWEAPMROM-OWCLPIDISA-N 1 2 478.641 -0.426 20 0 JBADLO CC[N@@H+]1C[C@H](C)N(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCS(C)(=O)=O)C[C@H]1C ZINC001547646914 1069047033 /nfs/dbraw/zinc/04/70/33/1069047033.db2.gz PNHQZKWEAPMROM-OWCLPIDISA-N 1 2 478.641 -0.426 20 0 JBADLO CC[N@H+]1C[C@H](C)N(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCS(C)(=O)=O)C[C@H]1C ZINC001547646915 1069046789 /nfs/dbraw/zinc/04/67/89/1069046789.db2.gz PNHQZKWEAPMROM-PMPSAXMXSA-N 1 2 478.641 -0.426 20 0 JBADLO CC[N@@H+]1C[C@H](C)N(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCS(C)(=O)=O)C[C@H]1C ZINC001547646915 1069046771 /nfs/dbraw/zinc/04/67/71/1069046771.db2.gz PNHQZKWEAPMROM-PMPSAXMXSA-N 1 2 478.641 -0.426 20 0 JBADLO CC[N@H+]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC(=O)N2CCOCC2)C[C@@H]1C ZINC001547720424 1069051996 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/nfs/dbraw/zinc/06/69/92/1069066992.db2.gz BMUKEALBTKCWRW-FQEVSTJZSA-N 1 2 490.634 -0.054 20 0 JBADLO CCNS(=O)(=O)[C@@H]1CCN(c2nnc(Cc3ccncc3)n2CC[NH+]2CCN(C(C)=O)CC2)C1 ZINC001547783514 1069067609 /nfs/dbraw/zinc/06/76/09/1069067609.db2.gz BMUKEALBTKCWRW-HXUWFJFHSA-N 1 2 490.634 -0.054 20 0 JBADLO CCO[C@@]1(c2nnc(N(C)CC(=O)N3CCOCC3)n2C[C@H](C)[NH+]2CCOCC2)CCOC1 ZINC001547858462 1069071799 /nfs/dbraw/zinc/07/17/99/1069071799.db2.gz XIWXXNDALSQJAJ-AVRDEDQJSA-N 1 2 466.583 -0.054 20 0 JBADLO CCO[C@@]1(c2nnc(N(C)CC(=O)N3CCOCC3)n2C[C@@H](C)[NH+]2CCOCC2)CCOC1 ZINC001547858463 1069071725 /nfs/dbraw/zinc/07/17/25/1069071725.db2.gz XIWXXNDALSQJAJ-GCJKJVERSA-N 1 2 466.583 -0.054 20 0 JBADLO CCO[C@]1(c2nnc(N(C)CC(=O)N3CCOCC3)n2C[C@H](C)[NH+]2CCOCC2)CCOC1 ZINC001547858464 1069071739 /nfs/dbraw/zinc/07/17/39/1069071739.db2.gz XIWXXNDALSQJAJ-PGRDOPGGSA-N 1 2 466.583 -0.054 20 0 JBADLO CCO[C@]1(c2nnc(N(C)CC(=O)N3CCOCC3)n2C[C@@H](C)[NH+]2CCOCC2)CCOC1 ZINC001547858465 1069071791 /nfs/dbraw/zinc/07/17/91/1069071791.db2.gz XIWXXNDALSQJAJ-XMSQKQJNSA-N 1 2 466.583 -0.054 20 0 JBADLO CCO[C@]1(c2nnc(N3CCC(C(N)=O)CC3)n2CC[NH+]2CCN(C(C)=O)CC2)CCOC1 ZINC001547885109 1069073275 /nfs/dbraw/zinc/07/32/75/1069073275.db2.gz LJIIEMGXARODOJ-JOCHJYFZSA-N 1 2 463.583 -0.204 20 0 JBADLO CCO[C@@]1(c2nnc(N3CCC(C(N)=O)CC3)n2CC[NH+]2CCN(C(C)=O)CC2)CCOC1 ZINC001547885110 1069073296 /nfs/dbraw/zinc/07/32/96/1069073296.db2.gz LJIIEMGXARODOJ-QFIPXVFZSA-N 1 2 463.583 -0.204 20 0 JBADLO CCOCc1nnc(N2CCC[C@H](N3CCCS3(=O)=O)C2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001548152686 1069084210 /nfs/dbraw/zinc/08/42/10/1069084210.db2.gz SJTPWHLROBPGLL-IBGZPJMESA-N 1 2 483.639 -0.017 20 0 JBADLO CCOCc1nnc(N2CCC[C@@H](N3CCCS3(=O)=O)C2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001548152687 1069084039 /nfs/dbraw/zinc/08/40/39/1069084039.db2.gz SJTPWHLROBPGLL-LJQANCHMSA-N 1 2 483.639 -0.017 20 0 JBADLO CCOCc1nnc(N2CC[NH+]([C@H](C)C(=O)N3CCCC3)CC2)n1CC(=O)N1CCOCC1 ZINC001548170419 1069085704 /nfs/dbraw/zinc/08/57/04/1069085704.db2.gz IYKMNZZJZYQICB-GOSISDBHSA-N 1 2 463.583 -0.194 20 0 JBADLO CCOCc1nnc(N2CC[NH+]([C@@H](C)C(=O)N3CCCC3)CC2)n1CC(=O)N1CCOCC1 ZINC001548170420 1069085762 /nfs/dbraw/zinc/08/57/62/1069085762.db2.gz IYKMNZZJZYQICB-SFHVURJKSA-N 1 2 463.583 -0.194 20 0 JBADLO CCOCc1nnc(N2CCN(CC(=O)N(C)C)CC2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001548177267 1069085787 /nfs/dbraw/zinc/08/57/87/1069085787.db2.gz MLLKTIVOUGCGJX-UHFFFAOYSA-N 1 2 450.588 -0.811 20 0 JBADLO CCOCc1nnc(N2CCN(CC(=O)NC3CC3)CC2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001548179453 1069086591 /nfs/dbraw/zinc/08/65/91/1069086591.db2.gz PLIMBSVKKLWIEY-UHFFFAOYSA-N 1 2 462.599 -0.621 20 0 JBADLO CCOCCN(C)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001548254125 1069087568 /nfs/dbraw/zinc/08/75/68/1069087568.db2.gz JJXQOBKQQYHMJH-GOSISDBHSA-N 1 2 487.627 -0.752 20 0 JBADLO CCOCCN(C)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001548254126 1069088622 /nfs/dbraw/zinc/08/86/22/1069088622.db2.gz JJXQOBKQQYHMJH-SFHVURJKSA-N 1 2 487.627 -0.752 20 0 JBADLO CCS(=O)(=O)NCCn1c(C(=O)N2CCCC2)nnc1N1CCN(c2cc[nH+]c(C)n2)CC1 ZINC001552379441 1069099173 /nfs/dbraw/zinc/09/91/73/1069099173.db2.gz GUDSTJMJQMHVCL-UHFFFAOYSA-N 1 2 477.595 -0.122 20 0 JBADLO CCS(=O)(=O)NCCn1c(-c2cnn(C)c2)nnc1N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC001552391170 1069100936 /nfs/dbraw/zinc/10/09/36/1069100936.db2.gz BIBBVBYCXGNTAV-UHFFFAOYSA-N 1 2 479.611 -0.638 20 0 JBADLO CCS(=O)(=O)NCCn1c(-c2ccc[nH]2)nnc1N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC001552395034 1069100526 /nfs/dbraw/zinc/10/05/26/1069100526.db2.gz QHOFCFMDXSXPIL-UHFFFAOYSA-N 1 2 464.596 -0.043 20 0 JBADLO CCS(=O)(=O)NCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001552399543 1069101902 /nfs/dbraw/zinc/10/19/02/1069101902.db2.gz LELATPLTJLNHSN-DLBZAZTESA-N 1 2 490.652 -0.722 20 0 JBADLO CCS(=O)(=O)NCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001552399544 1069101916 /nfs/dbraw/zinc/10/19/16/1069101916.db2.gz LELATPLTJLNHSN-IAGOWNOFSA-N 1 2 490.652 -0.722 20 0 JBADLO CCS(=O)(=O)NCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC001552399545 1069101659 /nfs/dbraw/zinc/10/16/59/1069101659.db2.gz LELATPLTJLNHSN-IRXDYDNUSA-N 1 2 490.652 -0.722 20 0 JBADLO CCS(=O)(=O)NCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC001552399546 1069101863 /nfs/dbraw/zinc/10/18/63/1069101863.db2.gz LELATPLTJLNHSN-SJORKVTESA-N 1 2 490.652 -0.722 20 0 JBADLO CCS(=O)(=O)NCCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](C2CCC2)CC1 ZINC001552400909 1069103778 /nfs/dbraw/zinc/10/37/78/1069103778.db2.gz XHHWEDOQLSDPLW-HNNXBMFYSA-N 1 2 460.626 -0.206 20 0 JBADLO CCS(=O)(=O)NCCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](C2CCC2)CC1 ZINC001552400914 1069103847 /nfs/dbraw/zinc/10/38/47/1069103847.db2.gz XHHWEDOQLSDPLW-OAHLLOKOSA-N 1 2 460.626 -0.206 20 0 JBADLO CCS(=O)(=O)NCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001552400969 1069103875 /nfs/dbraw/zinc/10/38/75/1069103875.db2.gz XVQLXTXAOBWDKL-DLBZAZTESA-N 1 2 496.638 -0.699 20 0 JBADLO CCS(=O)(=O)NCCn1c([C@H]2CCC(=O)N2)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001552400972 1069103553 /nfs/dbraw/zinc/10/35/53/1069103553.db2.gz XVQLXTXAOBWDKL-IAGOWNOFSA-N 1 2 496.638 -0.699 20 0 JBADLO CCS(=O)(=O)NCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001552400974 1069103738 /nfs/dbraw/zinc/10/37/38/1069103738.db2.gz XVQLXTXAOBWDKL-IRXDYDNUSA-N 1 2 496.638 -0.699 20 0 JBADLO CCS(=O)(=O)NCCn1c([C@@H]2CCC(=O)N2)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001552400976 1069103596 /nfs/dbraw/zinc/10/35/96/1069103596.db2.gz XVQLXTXAOBWDKL-SJORKVTESA-N 1 2 496.638 -0.699 20 0 JBADLO CN(C)C(=O)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001552731751 1069112277 /nfs/dbraw/zinc/11/22/77/1069112277.db2.gz JVUMFEGKNHFIJI-INIZCTEOSA-N 1 2 478.579 -0.579 20 0 JBADLO CN(C)C(=O)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCN(c2cccc[nH+]2)CC1 ZINC001552731754 1069112368 /nfs/dbraw/zinc/11/23/68/1069112368.db2.gz JVUMFEGKNHFIJI-MRXNPFEDSA-N 1 2 478.579 -0.579 20 0 JBADLO CN(C)c1ccc(Cn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCNC(=O)C2)c[nH+]1 ZINC001552834580 1069116729 /nfs/dbraw/zinc/11/67/29/1069116729.db2.gz USZKLFXOQKNCJJ-HNNXBMFYSA-N 1 2 464.552 -0.944 20 0 JBADLO CN(C)c1ccc(Cn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCNC(=O)C2)c[nH+]1 ZINC001552834589 1069116625 /nfs/dbraw/zinc/11/66/25/1069116625.db2.gz USZKLFXOQKNCJJ-OAHLLOKOSA-N 1 2 464.552 -0.944 20 0 JBADLO CN(C)c1[nH+]ccc2c1CCN(c1nnc([C@H]3CCS(=O)(=O)C3)n1CCNS(C)(=O)=O)C2 ZINC001552851387 1069116994 /nfs/dbraw/zinc/11/69/94/1069116994.db2.gz XFVSYXLPMYRYIQ-HNNXBMFYSA-N 1 2 483.620 -0.247 20 0 JBADLO CN(C)c1[nH+]ccc2c1CCN(c1nnc([C@@H]3CCS(=O)(=O)C3)n1CCNS(C)(=O)=O)C2 ZINC001552851388 1069116592 /nfs/dbraw/zinc/11/65/92/1069116592.db2.gz XFVSYXLPMYRYIQ-OAHLLOKOSA-N 1 2 483.620 -0.247 20 0 JBADLO CN(C)S(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](CC2CC2)CC1 ZINC001552888283 1069120070 /nfs/dbraw/zinc/12/00/70/1069120070.db2.gz REKSTPLFNSJTIE-INIZCTEOSA-N 1 2 460.626 -0.396 20 0 JBADLO CN(C)S(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](CC2CC2)CC1 ZINC001552888284 1069120187 /nfs/dbraw/zinc/12/01/87/1069120187.db2.gz REKSTPLFNSJTIE-MRXNPFEDSA-N 1 2 460.626 -0.396 20 0 JBADLO CN(CC(=O)N1CCOCC1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[N@@H+]1CC=CCC1 ZINC001554126232 1069126480 /nfs/dbraw/zinc/12/64/80/1069126480.db2.gz CKCBDWZVKYDALD-KRWDZBQOSA-N 1 2 452.581 -0.263 20 0 JBADLO CN(CC(=O)N1CCOCC1)c1nnc([C@H]2CCS(=O)(=O)C2)n1CC[N@H+]1CC=CCC1 ZINC001554126232 1069126463 /nfs/dbraw/zinc/12/64/63/1069126463.db2.gz CKCBDWZVKYDALD-KRWDZBQOSA-N 1 2 452.581 -0.263 20 0 JBADLO CN(CC(=O)N1CCOCC1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[N@@H+]1CC=CCC1 ZINC001554126233 1069126301 /nfs/dbraw/zinc/12/63/01/1069126301.db2.gz CKCBDWZVKYDALD-QGZVFWFLSA-N 1 2 452.581 -0.263 20 0 JBADLO CN(CC(=O)N1CCOCC1)c1nnc([C@@H]2CCS(=O)(=O)C2)n1CC[N@H+]1CC=CCC1 ZINC001554126233 1069126286 /nfs/dbraw/zinc/12/62/86/1069126286.db2.gz CKCBDWZVKYDALD-QGZVFWFLSA-N 1 2 452.581 -0.263 20 0 JBADLO CN(CC[NH+]1CCOCC1)c1nnc(C(=O)Nc2ccccn2)n1CCC(=O)N1CCOCC1 ZINC001554300254 1069132930 /nfs/dbraw/zinc/13/29/30/1069132930.db2.gz DBSJGOBJVPBLOM-UHFFFAOYSA-N 1 2 472.550 -0.057 20 0 JBADLO CN(CC[NH+]1CCOCC1)c1nnc(C(=O)Nc2ccccn2)n1CCN1CCCS1(=O)=O ZINC001554300604 1069134341 /nfs/dbraw/zinc/13/43/41/1069134341.db2.gz LOQGBPHNQXXCJS-UHFFFAOYSA-N 1 2 478.579 -0.271 20 0 JBADLO CN(CC[NH+]1CCOCC1)c1nnc(C(=O)N2CCCC2)n1C[C@H]1CCN(S(C)(=O)=O)C1 ZINC001554301085 1069134153 /nfs/dbraw/zinc/13/41/53/1069134153.db2.gz VBZIHOBFZSHSLU-KRWDZBQOSA-N 1 2 469.612 -0.436 20 0 JBADLO CN(CC[NH+]1CCOCC1)c1nnc(C(=O)N2CCCC2)n1C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC001554301086 1069133835 /nfs/dbraw/zinc/13/38/35/1069133835.db2.gz VBZIHOBFZSHSLU-QGZVFWFLSA-N 1 2 469.612 -0.436 20 0 JBADLO CN(CC[NH+]1CCOCC1)c1nnc(-c2cnccn2)n1C[C@H]1CCCN1S(C)(=O)=O ZINC001554301913 1069134487 /nfs/dbraw/zinc/13/44/87/1069134487.db2.gz HCIWQHLBSFLDQV-MRXNPFEDSA-N 1 2 450.569 -0.073 20 0 JBADLO CN(CC[NH+]1CCOCC1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CC(F)(F)CO1 ZINC001554301930 1069134090 /nfs/dbraw/zinc/13/40/90/1069134090.db2.gz HJWPVHJWRLZUHI-CVEARBPZSA-N 1 2 494.565 -0.196 20 0 JBADLO CN(CC[NH+]1CCOCC1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CC(F)(F)CO1 ZINC001554301931 1069134361 /nfs/dbraw/zinc/13/43/61/1069134361.db2.gz HJWPVHJWRLZUHI-HOTGVXAUSA-N 1 2 494.565 -0.196 20 0 JBADLO CN(CC[NH+]1CCOCC1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CC(F)(F)CO1 ZINC001554301932 1069134443 /nfs/dbraw/zinc/13/44/43/1069134443.db2.gz HJWPVHJWRLZUHI-HZPDHXFCSA-N 1 2 494.565 -0.196 20 0 JBADLO CN(CC[NH+]1CCOCC1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CC(F)(F)CO1 ZINC001554301933 1069134305 /nfs/dbraw/zinc/13/43/05/1069134305.db2.gz HJWPVHJWRLZUHI-JKSUJKDBSA-N 1 2 494.565 -0.196 20 0 JBADLO CN(CC[NH+]1CCOCC1)c1nnc(Cc2ccccn2)n1CC1(O)CCS(=O)(=O)CC1 ZINC001554302569 1069135591 /nfs/dbraw/zinc/13/55/91/1069135591.db2.gz KPLSYPPLLIWNSF-UHFFFAOYSA-N 1 2 464.592 -0.028 20 0 JBADLO CN(CC[NH+]1CCOCC1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCCO1 ZINC001554302811 1069135461 /nfs/dbraw/zinc/13/54/61/1069135461.db2.gz WFROFBJCIYKETM-MSOLQXFVSA-N 1 2 472.612 -0.052 20 0 JBADLO CN(CC[NH+]1CCOCC1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCCO1 ZINC001554302812 1069135676 /nfs/dbraw/zinc/13/56/76/1069135676.db2.gz WFROFBJCIYKETM-QZTJIDSGSA-N 1 2 472.612 -0.052 20 0 JBADLO CN(CC[NH+]1CCOCC1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCCO1 ZINC001554302813 1069135113 /nfs/dbraw/zinc/13/51/13/1069135113.db2.gz WFROFBJCIYKETM-ROUUACIJSA-N 1 2 472.612 -0.052 20 0 JBADLO CN(CC[NH+]1CCOCC1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCCO1 ZINC001554302814 1069135180 /nfs/dbraw/zinc/13/51/80/1069135180.db2.gz WFROFBJCIYKETM-ZWKOTPCHSA-N 1 2 472.612 -0.052 20 0 JBADLO Cn1cccc1-c1nnc(N2CC[NH+](CC(=O)N3CCCC3)CC2)n1CCNS(C)(=O)=O ZINC001554350151 1069141783 /nfs/dbraw/zinc/14/17/83/1069141783.db2.gz QEWPPPLNTOJGNQ-UHFFFAOYSA-N 1 2 464.596 -0.423 20 0 JBADLO CNC(=O)C1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[NH+]2CCN(C(C)=O)CC2)CC1 ZINC001554435737 1069153108 /nfs/dbraw/zinc/15/31/08/1069153108.db2.gz YTJNNMBXSDEODR-HNNXBMFYSA-N 1 2 484.627 -0.985 20 0 JBADLO CNC(=O)C1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[NH+]2CCN(C(C)=O)CC2)CC1 ZINC001554435738 1069153230 /nfs/dbraw/zinc/15/32/30/1069153230.db2.gz YTJNNMBXSDEODR-OAHLLOKOSA-N 1 2 484.627 -0.985 20 0 JBADLO CNC(=O)C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)[NH+]2CCOCC2)CC1 ZINC001554438306 1069153926 /nfs/dbraw/zinc/15/39/26/1069153926.db2.gz USNRABQGKZNRKA-AEFFLSMTSA-N 1 2 499.638 -0.706 20 0 JBADLO CNC(=O)C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C)[NH+]2CCOCC2)CC1 ZINC001554438308 1069153851 /nfs/dbraw/zinc/15/38/51/1069153851.db2.gz USNRABQGKZNRKA-FUHWJXTLSA-N 1 2 499.638 -0.706 20 0 JBADLO CNC(=O)C1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2C[C@@H](C)[NH+]2CCOCC2)CC1 ZINC001554438309 1069153988 /nfs/dbraw/zinc/15/39/88/1069153988.db2.gz USNRABQGKZNRKA-SJLPKXTDSA-N 1 2 499.638 -0.706 20 0 JBADLO CNC(=O)C1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2C[C@H](C)[NH+]2CCOCC2)CC1 ZINC001554438311 1069153893 /nfs/dbraw/zinc/15/38/93/1069153893.db2.gz USNRABQGKZNRKA-WMZOPIPTSA-N 1 2 499.638 -0.706 20 0 JBADLO CNC(=O)[C@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(N(C)C)[nH+]c2)CCO1 ZINC001554440713 1069155455 /nfs/dbraw/zinc/15/54/55/1069155455.db2.gz IUCFGCVJJHXZAU-DZGCQCFKSA-N 1 2 466.568 -0.651 20 0 JBADLO CNC(=O)[C@@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(N(C)C)[nH+]c2)CCO1 ZINC001554440714 1069155498 /nfs/dbraw/zinc/15/54/98/1069155498.db2.gz IUCFGCVJJHXZAU-HIFRSBDPSA-N 1 2 466.568 -0.651 20 0 JBADLO CNC(=O)[C@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(N(C)C)[nH+]c2)CCO1 ZINC001554440715 1069155356 /nfs/dbraw/zinc/15/53/56/1069155356.db2.gz IUCFGCVJJHXZAU-UKRRQHHQSA-N 1 2 466.568 -0.651 20 0 JBADLO CNC(=O)[C@@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(N(C)C)[nH+]c2)CCO1 ZINC001554440716 1069155417 /nfs/dbraw/zinc/15/54/17/1069155417.db2.gz IUCFGCVJJHXZAU-ZFWWWQNUSA-N 1 2 466.568 -0.651 20 0 JBADLO CNC(=O)[C@@H]1CN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@@H](C)[NH+]2CCOCC2)CCO1 ZINC001554445463 1069157445 /nfs/dbraw/zinc/15/74/45/1069157445.db2.gz XGGFXVHIRMWRSA-FGSXEWAUSA-N 1 2 466.583 -0.009 20 0 JBADLO CNC(=O)[C@@H]1CN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@@H](C)[NH+]2CCOCC2)CCO1 ZINC001554445464 1069157409 /nfs/dbraw/zinc/15/74/09/1069157409.db2.gz XGGFXVHIRMWRSA-KGVIQGDOSA-N 1 2 466.583 -0.009 20 0 JBADLO CNC(=O)[C@@H]1CN(c2nnc([C@@]3(OC(C)C)CCOC3)n2C[C@H](C)[NH+]2CCOCC2)CCO1 ZINC001554445465 1069157541 /nfs/dbraw/zinc/15/75/41/1069157541.db2.gz XGGFXVHIRMWRSA-NPPFBWRTSA-N 1 2 466.583 -0.009 20 0 JBADLO CNC(=O)[C@@H]1CN(c2nnc([C@]3(OC(C)C)CCOC3)n2C[C@H](C)[NH+]2CCOCC2)CCO1 ZINC001554445466 1069157498 /nfs/dbraw/zinc/15/74/98/1069157498.db2.gz XGGFXVHIRMWRSA-SPEDKVCISA-N 1 2 466.583 -0.009 20 0 JBADLO CNC(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001554476854 1069165098 /nfs/dbraw/zinc/16/50/98/1069165098.db2.gz ADFITHWRWPZLEV-KRWDZBQOSA-N 1 2 460.583 -0.217 20 0 JBADLO CNC(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001554476855 1069164986 /nfs/dbraw/zinc/16/49/86/1069164986.db2.gz ADFITHWRWPZLEV-QGZVFWFLSA-N 1 2 460.583 -0.217 20 0 JBADLO CNC(=O)CCn1c(CN2CCCC2=O)nnc1N1CC[NH+](C[C@H]2CN(C(C)C)CCO2)CC1 ZINC001554489350 1069167186 /nfs/dbraw/zinc/16/71/86/1069167186.db2.gz LVDKJYPXNNOYNG-IBGZPJMESA-N 1 2 476.626 -0.232 20 0 JBADLO CNC(=O)CCn1c(CN2CCCC2=O)nnc1N1CC[NH+](C[C@@H]2CN(C(C)C)CCO2)CC1 ZINC001554489351 1069167033 /nfs/dbraw/zinc/16/70/33/1069167033.db2.gz LVDKJYPXNNOYNG-LJQANCHMSA-N 1 2 476.626 -0.232 20 0 JBADLO CNS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001554501918 1069170454 /nfs/dbraw/zinc/17/04/54/1069170454.db2.gz WXVQQBPXQRHSBT-KRWDZBQOSA-N 1 2 496.638 -0.804 20 0 JBADLO CNS(=O)(=O)CCn1c(C(=O)N2CCCC2)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001554501919 1069170530 /nfs/dbraw/zinc/17/05/30/1069170530.db2.gz WXVQQBPXQRHSBT-QGZVFWFLSA-N 1 2 496.638 -0.804 20 0 JBADLO CNS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001554504790 1069171116 /nfs/dbraw/zinc/17/11/16/1069171116.db2.gz ANGOUKFSBHEHDY-INIZCTEOSA-N 1 2 464.596 -0.045 20 0 JBADLO CNS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001554504791 1069170931 /nfs/dbraw/zinc/17/09/31/1069170931.db2.gz ANGOUKFSBHEHDY-MRXNPFEDSA-N 1 2 464.596 -0.045 20 0 JBADLO CNS(=O)(=O)CCn1c(-c2n[nH]c(=O)c3ccccc32)nnc1N(C)CC[NH+]1CCOCC1 ZINC001554505402 1069171912 /nfs/dbraw/zinc/17/19/12/1069171912.db2.gz PONGZCSOGBAAHV-UHFFFAOYSA-N 1 2 476.563 -0.089 20 0 JBADLO CNS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC001554505791 1069171943 /nfs/dbraw/zinc/17/19/43/1069171943.db2.gz WRHQZUPWPXQGQQ-UHFFFAOYSA-N 1 2 463.568 -0.971 20 0 JBADLO CNS(=O)(=O)CCn1c(-c2ccc[nH]2)nnc1N1CC[NH+](CC(=O)N2CCCCC2)CC1 ZINC001554505847 1069171742 /nfs/dbraw/zinc/17/17/42/1069171742.db2.gz YONWJBMMIRIEEC-UHFFFAOYSA-N 1 2 464.596 -0.043 20 0 JBADLO CNS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC001554505885 1069171703 /nfs/dbraw/zinc/17/17/03/1069171703.db2.gz ACBIUYRSPBUASS-HNNXBMFYSA-N 1 2 462.580 -0.322 20 0 JBADLO CNS(=O)(=O)CCn1c(-c2cccnc2)nnc1N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC001554505886 1069171798 /nfs/dbraw/zinc/17/17/98/1069171798.db2.gz ACBIUYRSPBUASS-OAHLLOKOSA-N 1 2 462.580 -0.322 20 0 JBADLO CNS(=O)(=O)CCn1c([C@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001554507961 1069173169 /nfs/dbraw/zinc/17/31/69/1069173169.db2.gz RRJLIQNBDRKBCD-HNNXBMFYSA-N 1 2 476.625 -0.970 20 0 JBADLO CNS(=O)(=O)CCn1c([C@@H]2CCS(=O)(=O)C2)nnc1N1CC[NH+](C2CCOCC2)CC1 ZINC001554507962 1069173088 /nfs/dbraw/zinc/17/30/88/1069173088.db2.gz RRJLIQNBDRKBCD-OAHLLOKOSA-N 1 2 476.625 -0.970 20 0 JBADLO CNS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CC[NH+](C[C@H]2CN(C(C)C)CCO2)CC1 ZINC001554508624 1069174560 /nfs/dbraw/zinc/17/45/60/1069174560.db2.gz ZBIDSRKYNFTXIX-PMACEKPBSA-N 1 2 499.682 -0.048 20 0 JBADLO CNS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CC[NH+](C[C@H]2CN(C(C)C)CCO2)CC1 ZINC001554508625 1069174498 /nfs/dbraw/zinc/17/44/98/1069174498.db2.gz ZBIDSRKYNFTXIX-UXHICEINSA-N 1 2 499.682 -0.048 20 0 JBADLO CNS(=O)(=O)CCn1c([C@H]2CCCOC2)nnc1N1CC[NH+](C[C@@H]2CN(C(C)C)CCO2)CC1 ZINC001554508626 1069174528 /nfs/dbraw/zinc/17/45/28/1069174528.db2.gz ZBIDSRKYNFTXIX-VQTJNVASSA-N 1 2 499.682 -0.048 20 0 JBADLO CNS(=O)(=O)CCn1c([C@@H]2CCCOC2)nnc1N1CC[NH+](C[C@@H]2CN(C(C)C)CCO2)CC1 ZINC001554508627 1069174607 /nfs/dbraw/zinc/17/46/07/1069174607.db2.gz ZBIDSRKYNFTXIX-WOJBJXKFSA-N 1 2 499.682 -0.048 20 0 JBADLO COC(=O)C[C@@H]1CN(c2nnc([C@@H]3CCCOC3)n2CC[NH+]2CCN(C(C)=O)CC2)C[C@H]1O ZINC001554548012 1069179469 /nfs/dbraw/zinc/17/94/69/1069179469.db2.gz ZPCRUVGMBWUUIS-GUDVDZBRSA-N 1 2 464.567 -0.304 20 0 JBADLO COC(=O)C[C@@H]1CN(c2nnc([C@H]3CCCOC3)n2CC[NH+]2CCN(C(C)=O)CC2)C[C@H]1O ZINC001554548013 1069179305 /nfs/dbraw/zinc/17/93/05/1069179305.db2.gz ZPCRUVGMBWUUIS-IPMKNSEASA-N 1 2 464.567 -0.304 20 0 JBADLO COC(=O)N1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[N@H+]2CCOC[C@H]2C)CC1 ZINC001554554387 1069179509 /nfs/dbraw/zinc/17/95/09/1069179509.db2.gz POAJBMIJDULNQN-CABCVRRESA-N 1 2 459.573 -0.503 20 0 JBADLO COC(=O)N1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[N@@H+]2CCOC[C@H]2C)CC1 ZINC001554554387 1069179499 /nfs/dbraw/zinc/17/94/99/1069179499.db2.gz POAJBMIJDULNQN-CABCVRRESA-N 1 2 459.573 -0.503 20 0 JBADLO COC(=O)N1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[N@H+]2CCOC[C@@H]2C)CC1 ZINC001554554388 1069179168 /nfs/dbraw/zinc/17/91/68/1069179168.db2.gz POAJBMIJDULNQN-GJZGRUSLSA-N 1 2 459.573 -0.503 20 0 JBADLO COC(=O)N1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC001554554388 1069179162 /nfs/dbraw/zinc/17/91/62/1069179162.db2.gz POAJBMIJDULNQN-GJZGRUSLSA-N 1 2 459.573 -0.503 20 0 JBADLO COC(=O)N1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[N@H+]2CCOC[C@H]2C)CC1 ZINC001554554389 1069179442 /nfs/dbraw/zinc/17/94/42/1069179442.db2.gz POAJBMIJDULNQN-HUUCEWRRSA-N 1 2 459.573 -0.503 20 0 JBADLO COC(=O)N1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[N@@H+]2CCOC[C@H]2C)CC1 ZINC001554554389 1069179435 /nfs/dbraw/zinc/17/94/35/1069179435.db2.gz POAJBMIJDULNQN-HUUCEWRRSA-N 1 2 459.573 -0.503 20 0 JBADLO COC(=O)N1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[N@H+]2CCOC[C@@H]2C)CC1 ZINC001554554390 1069179865 /nfs/dbraw/zinc/17/98/65/1069179865.db2.gz POAJBMIJDULNQN-LSDHHAIUSA-N 1 2 459.573 -0.503 20 0 JBADLO COC(=O)N1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC001554554390 1069179858 /nfs/dbraw/zinc/17/98/58/1069179858.db2.gz POAJBMIJDULNQN-LSDHHAIUSA-N 1 2 459.573 -0.503 20 0 JBADLO CO[C@@H]1CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[NH+]2CCN(C(C)=O)CC2)C1 ZINC001555147545 1069186842 /nfs/dbraw/zinc/18/68/42/1069186842.db2.gz NQNUCRCURQRCGC-DOTOQJQBSA-N 1 2 457.601 -0.332 20 0 JBADLO CO[C@@H]1CCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[NH+]2CCN(C(C)=O)CC2)C1 ZINC001555147546 1069186787 /nfs/dbraw/zinc/18/67/87/1069186787.db2.gz NQNUCRCURQRCGC-NVXWUHKLSA-N 1 2 457.601 -0.332 20 0 JBADLO CO[C@H]1CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[NH+]2CCN(C(C)=O)CC2)C1 ZINC001555147547 1069186709 /nfs/dbraw/zinc/18/67/09/1069186709.db2.gz NQNUCRCURQRCGC-RDJZCZTQSA-N 1 2 457.601 -0.332 20 0 JBADLO CO[C@H]1CCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[NH+]2CCN(C(C)=O)CC2)C1 ZINC001555147548 1069186868 /nfs/dbraw/zinc/18/68/68/1069186868.db2.gz NQNUCRCURQRCGC-WBVHZDCISA-N 1 2 457.601 -0.332 20 0 JBADLO COCC(=O)N1CCN(c2nnc(C(=O)NC(C)C)n2Cc2ccc[nH+]c2N2CCOCC2)CC1 ZINC001555195676 1069189507 /nfs/dbraw/zinc/18/95/07/1069189507.db2.gz OPTSSZBDTARHHM-UHFFFAOYSA-N 1 2 486.577 -0.009 20 0 JBADLO COCC(=O)NC1CCN(c2nnc(CN3CCCC3=O)n2C[C@H](C)[NH+]2CCOCC2)CC1 ZINC001555209195 1069194251 /nfs/dbraw/zinc/19/42/51/1069194251.db2.gz RKHOQESQNSKRGM-KRWDZBQOSA-N 1 2 463.583 -0.147 20 0 JBADLO COCC(=O)NC1CCN(c2nnc(CN3CCCC3=O)n2C[C@@H](C)[NH+]2CCOCC2)CC1 ZINC001555209196 1069194209 /nfs/dbraw/zinc/19/42/09/1069194209.db2.gz RKHOQESQNSKRGM-QGZVFWFLSA-N 1 2 463.583 -0.147 20 0 JBADLO COC[C@H](F)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001555276295 1069197459 /nfs/dbraw/zinc/19/74/59/1069197459.db2.gz OJANINSWPJCOSA-CVEARBPZSA-N 1 2 464.564 -0.636 20 0 JBADLO COC[C@@H](F)Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001555276298 1069197490 /nfs/dbraw/zinc/19/74/90/1069197490.db2.gz OJANINSWPJCOSA-HOTGVXAUSA-N 1 2 464.564 -0.636 20 0 JBADLO COC[C@H](F)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001555276300 1069197380 /nfs/dbraw/zinc/19/73/80/1069197380.db2.gz OJANINSWPJCOSA-HZPDHXFCSA-N 1 2 464.564 -0.636 20 0 JBADLO COC[C@@H](F)Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001555276302 1069197503 /nfs/dbraw/zinc/19/75/03/1069197503.db2.gz OJANINSWPJCOSA-JKSUJKDBSA-N 1 2 464.564 -0.636 20 0 JBADLO COC[C@@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[N@H+]2CCOC[C@H]2C)C[C@@H](C)O1 ZINC001555381387 1069200104 /nfs/dbraw/zinc/20/01/04/1069200104.db2.gz NIUZIYUTICUJDM-NCOADZHNSA-N 1 2 460.601 -0.151 20 0 JBADLO COC[C@@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[N@@H+]2CCOC[C@H]2C)C[C@@H](C)O1 ZINC001555381387 1069200092 /nfs/dbraw/zinc/20/00/92/1069200092.db2.gz NIUZIYUTICUJDM-NCOADZHNSA-N 1 2 460.601 -0.151 20 0 JBADLO COC[C@@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[N@H+]2CCOC[C@@H]2C)C[C@H](C)O1 ZINC001555381388 1069200048 /nfs/dbraw/zinc/20/00/48/1069200048.db2.gz NIUZIYUTICUJDM-QAETUUGQSA-N 1 2 460.601 -0.151 20 0 JBADLO COC[C@@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[N@@H+]2CCOC[C@@H]2C)C[C@H](C)O1 ZINC001555381388 1069200043 /nfs/dbraw/zinc/20/00/43/1069200043.db2.gz NIUZIYUTICUJDM-QAETUUGQSA-N 1 2 460.601 -0.151 20 0 JBADLO COC[C@@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[N@H+]2CCOC[C@H]2C)C[C@H](C)O1 ZINC001555381389 1069200226 /nfs/dbraw/zinc/20/02/26/1069200226.db2.gz NIUZIYUTICUJDM-QZWWFDLISA-N 1 2 460.601 -0.151 20 0 JBADLO COC[C@@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[N@@H+]2CCOC[C@H]2C)C[C@H](C)O1 ZINC001555381389 1069200215 /nfs/dbraw/zinc/20/02/15/1069200215.db2.gz NIUZIYUTICUJDM-QZWWFDLISA-N 1 2 460.601 -0.151 20 0 JBADLO COC[C@@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[N@H+]2CCOC[C@@H]2C)C[C@@H](C)O1 ZINC001555381390 1069200260 /nfs/dbraw/zinc/20/02/60/1069200260.db2.gz NIUZIYUTICUJDM-YVSFHVDLSA-N 1 2 460.601 -0.151 20 0 JBADLO COC[C@@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[N@@H+]2CCOC[C@@H]2C)C[C@@H](C)O1 ZINC001555381390 1069200248 /nfs/dbraw/zinc/20/02/48/1069200248.db2.gz NIUZIYUTICUJDM-YVSFHVDLSA-N 1 2 460.601 -0.151 20 0 JBADLO COCCN1CCN(c2nnc([C@H]3CCCOC3)n2CC[NH+]2CCN(C(C)=O)CC2)CC1=O ZINC001555588946 1069212631 /nfs/dbraw/zinc/21/26/31/1069212631.db2.gz CGUVRZNMXJOHHY-IBGZPJMESA-N 1 2 463.583 -0.369 20 0 JBADLO COCCN1CCN(c2nnc([C@@H]3CCCOC3)n2CC[NH+]2CCN(C(C)=O)CC2)CC1=O ZINC001555588947 1069212561 /nfs/dbraw/zinc/21/25/61/1069212561.db2.gz CGUVRZNMXJOHHY-LJQANCHMSA-N 1 2 463.583 -0.369 20 0 JBADLO COCCNC(=O)CN1CCN(c2nnc([C@H]3CCOC3)n2C[C@@H](C)[NH+]2CCOCC2)CC1 ZINC001555610520 1069218224 /nfs/dbraw/zinc/21/82/24/1069218224.db2.gz CYOHZIHWYDAAFR-MOPGFXCFSA-N 1 2 465.599 -0.613 20 0 JBADLO COCCNC(=O)CN1CCN(c2nnc([C@H]3CCOC3)n2C[C@H](C)[NH+]2CCOCC2)CC1 ZINC001555610521 1069218404 /nfs/dbraw/zinc/21/84/04/1069218404.db2.gz CYOHZIHWYDAAFR-OALUTQOASA-N 1 2 465.599 -0.613 20 0 JBADLO COCCNC(=O)CN1CCN(c2nnc([C@@H]3CCOC3)n2C[C@H](C)[NH+]2CCOCC2)CC1 ZINC001555610522 1069218603 /nfs/dbraw/zinc/21/86/03/1069218603.db2.gz CYOHZIHWYDAAFR-RBUKOAKNSA-N 1 2 465.599 -0.613 20 0 JBADLO COCCNC(=O)CN1CCN(c2nnc([C@@H]3CCOC3)n2C[C@@H](C)[NH+]2CCOCC2)CC1 ZINC001555610523 1069218284 /nfs/dbraw/zinc/21/82/84/1069218284.db2.gz CYOHZIHWYDAAFR-RTBURBONSA-N 1 2 465.599 -0.613 20 0 JBADLO COCCO[C@H](C)c1nnc(N2CC(=O)N(C)[C@@H](C)C2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001555617153 1069221045 /nfs/dbraw/zinc/22/10/45/1069221045.db2.gz DQBSAODOMOVJTD-DLBZAZTESA-N 1 2 451.572 -0.167 20 0 JBADLO COCCO[C@H](C)c1nnc(N2CC(=O)N(C)[C@H](C)C2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001555617154 1069220933 /nfs/dbraw/zinc/22/09/33/1069220933.db2.gz DQBSAODOMOVJTD-IAGOWNOFSA-N 1 2 451.572 -0.167 20 0 JBADLO COCCO[C@@H](C)c1nnc(N2CC(=O)N(C)[C@@H](C)C2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001555617155 1069220740 /nfs/dbraw/zinc/22/07/40/1069220740.db2.gz DQBSAODOMOVJTD-IRXDYDNUSA-N 1 2 451.572 -0.167 20 0 JBADLO COCCO[C@@H](C)c1nnc(N2CC(=O)N(C)[C@H](C)C2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001555617156 1069220850 /nfs/dbraw/zinc/22/08/50/1069220850.db2.gz DQBSAODOMOVJTD-SJORKVTESA-N 1 2 451.572 -0.167 20 0 JBADLO COCCO[C@H](C)c1nnc(N2C[C@H]3CCC(=O)N[C@@H]3C2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001555625063 1069220985 /nfs/dbraw/zinc/22/09/85/1069220985.db2.gz QSXIHMYKAPDFGF-BHIYHBOVSA-N 1 2 463.583 -0.119 20 0 JBADLO COCCO[C@H](C)c1nnc(N2C[C@@H]3NC(=O)CC[C@H]3C2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001555625066 1069220804 /nfs/dbraw/zinc/22/08/04/1069220804.db2.gz QSXIHMYKAPDFGF-NEWSRXKRSA-N 1 2 463.583 -0.119 20 0 JBADLO COCCO[C@H](C)c1nnc(N2C[C@@H]3CCC(=O)N[C@@H]3C2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001555625069 1069221010 /nfs/dbraw/zinc/22/10/10/1069221010.db2.gz QSXIHMYKAPDFGF-NZSAHSFTSA-N 1 2 463.583 -0.119 20 0 JBADLO COCCO[C@H](C)c1nnc(N2C[C@H]3CCC(=O)N[C@H]3C2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001555625071 1069220691 /nfs/dbraw/zinc/22/06/91/1069220691.db2.gz QSXIHMYKAPDFGF-QRQLOZEOSA-N 1 2 463.583 -0.119 20 0 JBADLO COCCO[C@H](C)c1nnc(N2CCC[C@H](C(N)=O)C2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001555648062 1069221599 /nfs/dbraw/zinc/22/15/99/1069221599.db2.gz LHQIOKJAVVVDJR-AEFFLSMTSA-N 1 2 451.572 -0.132 20 0 JBADLO COCCO[C@@H](C)c1nnc(N2CCC[C@@H](C(N)=O)C2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001555648063 1069221731 /nfs/dbraw/zinc/22/17/31/1069221731.db2.gz LHQIOKJAVVVDJR-FUHWJXTLSA-N 1 2 451.572 -0.132 20 0 JBADLO COCCO[C@H](C)c1nnc(N2CCC[C@@H](C(N)=O)C2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001555648065 1069221553 /nfs/dbraw/zinc/22/15/53/1069221553.db2.gz LHQIOKJAVVVDJR-SJLPKXTDSA-N 1 2 451.572 -0.132 20 0 JBADLO COCCO[C@@H](C)c1nnc(N2CCC[C@H](C(N)=O)C2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001555648067 1069221830 /nfs/dbraw/zinc/22/18/30/1069221830.db2.gz LHQIOKJAVVVDJR-WMZOPIPTSA-N 1 2 451.572 -0.132 20 0 JBADLO COCCO[C@H](C)c1nnc(N2CCN(C)C(=O)[C@@H]2C)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001555664055 1069223234 /nfs/dbraw/zinc/22/32/34/1069223234.db2.gz GSQAARFUFWTRBK-DLBZAZTESA-N 1 2 451.572 -0.167 20 0 JBADLO COCCO[C@H](C)c1nnc(N2CCN(C)C(=O)[C@H]2C)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001555664058 1069223157 /nfs/dbraw/zinc/22/31/57/1069223157.db2.gz GSQAARFUFWTRBK-IAGOWNOFSA-N 1 2 451.572 -0.167 20 0 JBADLO COCCO[C@@H](C)c1nnc(N2CCN(C)C(=O)[C@@H]2C)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001555664061 1069222984 /nfs/dbraw/zinc/22/29/84/1069222984.db2.gz GSQAARFUFWTRBK-IRXDYDNUSA-N 1 2 451.572 -0.167 20 0 JBADLO COCCO[C@@H](C)c1nnc(N2CCN(C)C(=O)[C@H]2C)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001555664064 1069223296 /nfs/dbraw/zinc/22/32/96/1069223296.db2.gz GSQAARFUFWTRBK-SJORKVTESA-N 1 2 451.572 -0.167 20 0 JBADLO COCCO[C@@H](C)c1nnc(N2CCN(S(C)(=O)=O)CC2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001555666884 1069223641 /nfs/dbraw/zinc/22/36/41/1069223641.db2.gz CGUPUANFEOAUCI-KRWDZBQOSA-N 1 2 487.627 -0.752 20 0 JBADLO COCCO[C@H](C)c1nnc(N2CCN(S(C)(=O)=O)CC2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001555666885 1069223854 /nfs/dbraw/zinc/22/38/54/1069223854.db2.gz CGUPUANFEOAUCI-QGZVFWFLSA-N 1 2 487.627 -0.752 20 0 JBADLO COCCO[C@H](C)c1nnc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)n1Cc1c[nH+]ccc1OC ZINC001555668086 1069224573 /nfs/dbraw/zinc/22/45/73/1069224573.db2.gz MDATYMATEZBPBJ-GDBMZVCRSA-N 1 2 459.507 -0.399 20 0 JBADLO COCCO[C@@H](C)c1nnc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)n1Cc1c[nH+]ccc1OC ZINC001555668091 1069224636 /nfs/dbraw/zinc/22/46/36/1069224636.db2.gz MDATYMATEZBPBJ-GOEBONIOSA-N 1 2 459.507 -0.399 20 0 JBADLO COCCO[C@@H](C)c1nnc(N2CCN3C(=O)C(=O)NC[C@H]3C2)n1Cc1c[nH+]ccc1OC ZINC001555668093 1069224388 /nfs/dbraw/zinc/22/43/88/1069224388.db2.gz MDATYMATEZBPBJ-HOCLYGCPSA-N 1 2 459.507 -0.399 20 0 JBADLO COCCO[C@H](C)c1nnc(N2CCN3C(=O)C(=O)NC[C@H]3C2)n1Cc1c[nH+]ccc1OC ZINC001555668094 1069224289 /nfs/dbraw/zinc/22/42/89/1069224289.db2.gz MDATYMATEZBPBJ-ZBFHGGJFSA-N 1 2 459.507 -0.399 20 0 JBADLO COCCO[C@@H](C)c1nnc(N2CCN3C(=O)N(C)C[C@H]3C2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001555668743 1069224355 /nfs/dbraw/zinc/22/43/55/1069224355.db2.gz PNFLUPCGESRLBH-HKUYNNGSSA-N 1 2 478.598 -0.278 20 0 JBADLO COCCO[C@H](C)c1nnc(N2CCN3C(=O)N(C)C[C@@H]3C2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001555668745 1069224520 /nfs/dbraw/zinc/22/45/20/1069224520.db2.gz PNFLUPCGESRLBH-IEBWSBKVSA-N 1 2 478.598 -0.278 20 0 JBADLO COCCO[C@H](C)c1nnc(N2CCN3C(=O)N(C)C[C@H]3C2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001555668747 1069224490 /nfs/dbraw/zinc/22/44/90/1069224490.db2.gz PNFLUPCGESRLBH-MJGOQNOKSA-N 1 2 478.598 -0.278 20 0 JBADLO COCCO[C@@H](C)c1nnc(N2CCN3C(=O)N(C)C[C@@H]3C2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001555668749 1069224322 /nfs/dbraw/zinc/22/43/22/1069224322.db2.gz PNFLUPCGESRLBH-PKOBYXMFSA-N 1 2 478.598 -0.278 20 0 JBADLO COCCO[C@@H](C)c1nnc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)n1CC[N@H+]1CCOCC1(C)C ZINC001555670417 1069225085 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/nfs/dbraw/zinc/24/68/25/1069246825.db2.gz VIZKYPCEIWONIB-UHFFFAOYSA-N 1 2 462.580 -0.366 20 0 JBADLO C[C@@H]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC(C)(C)[NH+]2CCOCC2)C[C@@H]1O ZINC001555942977 1069247844 /nfs/dbraw/zinc/24/78/44/1069247844.db2.gz ZDIJCIRKKWOYOT-FGTMMUONSA-N 1 2 486.639 -0.071 20 0 JBADLO C[C@@H]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC(C)(C)[NH+]2CCOCC2)C[C@@H]1O ZINC001555942978 1069248139 /nfs/dbraw/zinc/24/81/39/1069248139.db2.gz ZDIJCIRKKWOYOT-SQNIBIBYSA-N 1 2 486.639 -0.071 20 0 JBADLO C[C@@H]1CCO[C@@H]1Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001555944959 1069248010 /nfs/dbraw/zinc/24/80/10/1069248010.db2.gz WHLBQEGSDCJRSK-KURKYZTESA-N 1 2 472.612 -0.196 20 0 JBADLO C[C@@H]1CCO[C@@H]1Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)CC[NH+]1CCOCC1 ZINC001555944961 1069248060 /nfs/dbraw/zinc/24/80/60/1069248060.db2.gz WHLBQEGSDCJRSK-KZNAEPCWSA-N 1 2 472.612 -0.196 20 0 JBADLO COC(=O)[C@H](Cc1c[nH+]c[nH]1)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1OC ZINC001556083570 1069253643 /nfs/dbraw/zinc/25/36/43/1069253643.db2.gz GGJUVDAJSYITOK-INIZCTEOSA-N 1 2 452.489 -0.047 20 0 JBADLO COC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)c1cc(S(=O)(=O)N2CCOCC2)ccc1OC ZINC001556083570 1069253631 /nfs/dbraw/zinc/25/36/31/1069253631.db2.gz GGJUVDAJSYITOK-INIZCTEOSA-N 1 2 452.489 -0.047 20 0 JBADLO CS(=O)(=O)N1CCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)Cc2ccccc21 ZINC001556097162 1069253747 /nfs/dbraw/zinc/25/37/47/1069253747.db2.gz GBNZLKJALZDDPT-GOSISDBHSA-N 1 2 450.561 -0.025 20 0 JBADLO CS(=O)(=O)N1CCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)Cc2ccccc21 ZINC001556097163 1069253417 /nfs/dbraw/zinc/25/34/17/1069253417.db2.gz GBNZLKJALZDDPT-SFHVURJKSA-N 1 2 450.561 -0.025 20 0 JBADLO COc1cc2c(cc1OC)C[N@@H+](CC(=O)N1CCN(S(=O)(=O)c3nc[nH]n3)CC1)CC2 ZINC001556152598 1069253532 /nfs/dbraw/zinc/25/35/32/1069253532.db2.gz SOIXGJRIMYDCRO-UHFFFAOYSA-N 1 2 450.521 -0.287 20 0 JBADLO COc1cc2c(cc1OC)C[N@H+](CC(=O)N1CCN(S(=O)(=O)c3nc[nH]n3)CC1)CC2 ZINC001556152598 1069253518 /nfs/dbraw/zinc/25/35/18/1069253518.db2.gz SOIXGJRIMYDCRO-UHFFFAOYSA-N 1 2 450.521 -0.287 20 0 JBADLO C[C@@H](C(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC001556210926 1069254077 /nfs/dbraw/zinc/25/40/77/1069254077.db2.gz QBTYDHJDXIBYOP-INIZCTEOSA-N 1 2 459.526 -0.175 20 0 JBADLO C[C@H](C(=O)N1CCn2c(nn(CC(=O)N(C)C)c2=O)C1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC001556210927 1069254223 /nfs/dbraw/zinc/25/42/23/1069254223.db2.gz QBTYDHJDXIBYOP-MRXNPFEDSA-N 1 2 459.526 -0.175 20 0 JBADLO Cc1[nH+]c2c(n1CCO)CC[C@H](NC(=O)c1cc(S(=O)(=O)N3CCOCC3)cn1C)C2 ZINC001556538656 1069256738 /nfs/dbraw/zinc/25/67/38/1069256738.db2.gz DBXXMFJQKHVJCA-HNNXBMFYSA-N 1 2 451.549 -0.169 20 0 JBADLO Cc1[nH+]c2c(n1CCO)CC[C@@H](NC(=O)c1cc(S(=O)(=O)N3CCOCC3)cn1C)C2 ZINC001556538657 1069256536 /nfs/dbraw/zinc/25/65/36/1069256536.db2.gz DBXXMFJQKHVJCA-OAHLLOKOSA-N 1 2 451.549 -0.169 20 0 JBADLO CCN(CC)S(=O)(=O)CC(=O)NC[C@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC001556543775 1069256838 /nfs/dbraw/zinc/25/68/38/1069256838.db2.gz KOFLFWZLCBLTID-INIZCTEOSA-N 1 2 454.597 -0.379 20 0 JBADLO CCN(CC)S(=O)(=O)CC(=O)NC[C@@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC001556543776 1069256960 /nfs/dbraw/zinc/25/69/60/1069256960.db2.gz KOFLFWZLCBLTID-MRXNPFEDSA-N 1 2 454.597 -0.379 20 0 JBADLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@@H](CNC(=O)C2(CS(C)(=O)=O)COC2)CC3)CC1 ZINC001556544062 1069256474 /nfs/dbraw/zinc/25/64/74/1069256474.db2.gz SCBDGRKLGRDSRS-HNNXBMFYSA-N 1 2 453.565 -0.990 20 0 JBADLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@H](CNC(=O)C2(CS(C)(=O)=O)COC2)CC3)CC1 ZINC001556544063 1069256928 /nfs/dbraw/zinc/25/69/28/1069256928.db2.gz SCBDGRKLGRDSRS-OAHLLOKOSA-N 1 2 453.565 -0.990 20 0 JBADLO COCC(COC)[NH+]1CCN(C(=O)[C@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)CC1 ZINC001557013733 1069259889 /nfs/dbraw/zinc/25/98/89/1069259889.db2.gz RVRZGTGIJWRYBG-HNNXBMFYSA-N 1 2 454.549 -0.508 20 0 JBADLO COCC(COC)[NH+]1CCN(C(=O)[C@@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)CC1 ZINC001557013734 1069259925 /nfs/dbraw/zinc/25/99/25/1069259925.db2.gz RVRZGTGIJWRYBG-OAHLLOKOSA-N 1 2 454.549 -0.508 20 0 JBADLO COCCOCC[NH+]1CCN(C(=O)c2ccc3c(c2)S(=O)(=O)N(CCOC)C3=O)CC1 ZINC001557298384 1069260316 /nfs/dbraw/zinc/26/03/16/1069260316.db2.gz FUAPGRORGLEDAH-UHFFFAOYSA-N 1 2 455.533 -0.102 20 0 JBADLO COCCOCC[NH+]1CCN(C(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)CC1 ZINC001557301555 1069260402 /nfs/dbraw/zinc/26/04/02/1069260402.db2.gz HADZMRXHLHMSNB-UHFFFAOYSA-N 1 2 454.549 -0.772 20 0 JBADLO COC(=O)C[C@H]1CS(=O)(=O)CCN1C(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001557886794 1069263798 /nfs/dbraw/zinc/26/37/98/1069263798.db2.gz XLMUNYYLEDPFTM-INIZCTEOSA-N 1 2 452.533 -0.301 20 0 JBADLO COC(=O)C[C@@H]1CS(=O)(=O)CCN1C(=O)CCC(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001557886795 1069263667 /nfs/dbraw/zinc/26/36/67/1069263667.db2.gz XLMUNYYLEDPFTM-MRXNPFEDSA-N 1 2 452.533 -0.301 20 0 JBADLO CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)N2CCC(N3CC[NH+](C)CC3)CC2)c1 ZINC001557982540 1069264226 /nfs/dbraw/zinc/26/42/26/1069264226.db2.gz UJHLPROXMFPUCZ-UHFFFAOYSA-N 1 2 451.593 -0.095 20 0 JBADLO CNC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)CNS(=O)(=O)c1ccc(Br)s1 ZINC001558163305 1069265429 /nfs/dbraw/zinc/26/54/29/1069265429.db2.gz MINWKJWEZBALEO-VIFPVBQESA-N 1 2 450.340 -0.015 20 0 JBADLO CN(C)C(=O)C[N@H+]1CCCN(C(=O)[C@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)CC1 ZINC001558324172 1069266005 /nfs/dbraw/zinc/26/60/05/1069266005.db2.gz DYGHJXVXQJIPEI-HNNXBMFYSA-N 1 2 451.549 -0.691 20 0 JBADLO CN(C)C(=O)C[N@@H+]1CCCN(C(=O)[C@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)CC1 ZINC001558324172 1069265997 /nfs/dbraw/zinc/26/59/97/1069265997.db2.gz DYGHJXVXQJIPEI-HNNXBMFYSA-N 1 2 451.549 -0.691 20 0 JBADLO CN(C)C(=O)C[N@H+]1CCCN(C(=O)[C@@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)CC1 ZINC001558324176 1069266424 /nfs/dbraw/zinc/26/64/24/1069266424.db2.gz DYGHJXVXQJIPEI-OAHLLOKOSA-N 1 2 451.549 -0.691 20 0 JBADLO CN(C)C(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)CC1 ZINC001558324176 1069266415 /nfs/dbraw/zinc/26/64/15/1069266415.db2.gz 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NS(=O)(=O)N1CCC[C@H](C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)C1 ZINC001565651049 1069296201 /nfs/dbraw/zinc/29/62/01/1069296201.db2.gz MHNRRJSKYAQEIF-HOTGVXAUSA-N 1 2 453.569 -0.686 20 0 JBADLO NS(=O)(=O)N1CCC[C@@H](C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)C1 ZINC001565651050 1069296143 /nfs/dbraw/zinc/29/61/43/1069296143.db2.gz MHNRRJSKYAQEIF-HZPDHXFCSA-N 1 2 453.569 -0.686 20 0 JBADLO NS(=O)(=O)N1CCC[C@@H](C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)C1 ZINC001565651050 1069296132 /nfs/dbraw/zinc/29/61/32/1069296132.db2.gz MHNRRJSKYAQEIF-HZPDHXFCSA-N 1 2 453.569 -0.686 20 0 JBADLO NS(=O)(=O)N1CCC[C@H](C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)C1 ZINC001565651051 1069296433 /nfs/dbraw/zinc/29/64/33/1069296433.db2.gz MHNRRJSKYAQEIF-JKSUJKDBSA-N 1 2 453.569 -0.686 20 0 JBADLO NS(=O)(=O)N1CCC[C@H](C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)C1 ZINC001565651051 1069296429 /nfs/dbraw/zinc/29/64/29/1069296429.db2.gz MHNRRJSKYAQEIF-JKSUJKDBSA-N 1 2 453.569 -0.686 20 0 JBADLO CN1C[C@@H](C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)N(C(=O)OC(C)(C)C)CC1=O ZINC001565963344 1069297638 /nfs/dbraw/zinc/29/76/38/1069297638.db2.gz LLOHYRNQUUUHRQ-CVEARBPZSA-N 1 2 453.540 -0.887 20 0 JBADLO CN1C[C@@H](C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)N(C(=O)OC(C)(C)C)CC1=O ZINC001565963345 1069297344 /nfs/dbraw/zinc/29/73/44/1069297344.db2.gz LLOHYRNQUUUHRQ-HOTGVXAUSA-N 1 2 453.540 -0.887 20 0 JBADLO CN1C[C@H](C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)N(C(=O)OC(C)(C)C)CC1=O ZINC001565963346 1069297410 /nfs/dbraw/zinc/29/74/10/1069297410.db2.gz LLOHYRNQUUUHRQ-HZPDHXFCSA-N 1 2 453.540 -0.887 20 0 JBADLO CN1C[C@H](C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)N(C(=O)OC(C)(C)C)CC1=O ZINC001565963347 1069297690 /nfs/dbraw/zinc/29/76/90/1069297690.db2.gz LLOHYRNQUUUHRQ-JKSUJKDBSA-N 1 2 453.540 -0.887 20 0 JBADLO O=C(CCCNS(=O)(=O)c1ccc(F)cc1)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001565963439 1069297366 /nfs/dbraw/zinc/29/73/66/1069297366.db2.gz OQJAIQWCMXIOGA-KRWDZBQOSA-N 1 2 456.540 -0.067 20 0 JBADLO O=C(CCCNS(=O)(=O)c1ccc(F)cc1)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001565963440 1069297503 /nfs/dbraw/zinc/29/75/03/1069297503.db2.gz OQJAIQWCMXIOGA-QGZVFWFLSA-N 1 2 456.540 -0.067 20 0 JBADLO O=C(N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc(F)c(S(=O)(=O)NC2CC2)c1 ZINC001565963738 1069297714 /nfs/dbraw/zinc/29/77/14/1069297714.db2.gz XQNNLBCIOQXLOF-INIZCTEOSA-N 1 2 454.524 -0.071 20 0 JBADLO O=C(N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)c1ccc(F)c(S(=O)(=O)NC2CC2)c1 ZINC001565963739 1069297455 /nfs/dbraw/zinc/29/74/55/1069297455.db2.gz XQNNLBCIOQXLOF-MRXNPFEDSA-N 1 2 454.524 -0.071 20 0 JBADLO Cc1ccc(S(=O)(=O)NCCN(C)C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC001566116350 1069299289 /nfs/dbraw/zinc/29/92/89/1069299289.db2.gz QOQJVHLWBNFEDP-GOSISDBHSA-N 1 2 452.577 -0.088 20 0 JBADLO Cc1ccc(S(=O)(=O)NCCN(C)C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC001566116351 1069299084 /nfs/dbraw/zinc/29/90/84/1069299084.db2.gz QOQJVHLWBNFEDP-SFHVURJKSA-N 1 2 452.577 -0.088 20 0 JBADLO COc1ccc(C(=O)N(C)C[C@H](O)C[NH+]2CCOCC2)cc1S(=O)(=O)N1CCOCC1 ZINC001566234755 1069299668 /nfs/dbraw/zinc/29/96/68/1069299668.db2.gz BJMIKJMKXKPDBZ-KRWDZBQOSA-N 1 2 457.549 -0.519 20 0 JBADLO COc1ccc(C(=O)N(C)C[C@@H](O)C[NH+]2CCOCC2)cc1S(=O)(=O)N1CCOCC1 ZINC001566234756 1069299831 /nfs/dbraw/zinc/29/98/31/1069299831.db2.gz BJMIKJMKXKPDBZ-QGZVFWFLSA-N 1 2 457.549 -0.519 20 0 JBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)CNS(=O)(=O)c1cccc(Br)c1 ZINC001566235095 1069300267 /nfs/dbraw/zinc/30/02/67/1069300267.db2.gz KQRQUOVULUFVKQ-AWEZNQCLSA-N 1 2 450.355 -0.121 20 0 JBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)CNS(=O)(=O)c1cccc(Br)c1 ZINC001566235096 1069300311 /nfs/dbraw/zinc/30/03/11/1069300311.db2.gz KQRQUOVULUFVKQ-CQSZACIVSA-N 1 2 450.355 -0.121 20 0 JBADLO Cn1cnc(S(=O)(=O)NCC(=O)N2CC[C@H]([NH+]3CCN(C(=O)OC(C)(C)C)CC3)C2)c1 ZINC001568789949 1069304533 /nfs/dbraw/zinc/30/45/33/1069304533.db2.gz MCGJHCFIZRTQNS-HNNXBMFYSA-N 1 2 456.569 -0.148 20 0 JBADLO Cn1cnc(S(=O)(=O)NCC(=O)N2CC[C@@H]([NH+]3CCN(C(=O)OC(C)(C)C)CC3)C2)c1 ZINC001568789950 1069304493 /nfs/dbraw/zinc/30/44/93/1069304493.db2.gz MCGJHCFIZRTQNS-OAHLLOKOSA-N 1 2 456.569 -0.148 20 0 JBADLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@H](CNC(=O)C[C@@]2(C)CCS(=O)(=O)N2)CC3)CC1 ZINC001568833613 1069304940 /nfs/dbraw/zinc/30/49/40/1069304940.db2.gz MKNUPZHFXXBXMZ-FOIQADDNSA-N 1 2 452.581 -0.579 20 0 JBADLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@@H](CNC(=O)C[C@@]2(C)CCS(=O)(=O)N2)CC3)CC1 ZINC001568833614 1069305001 /nfs/dbraw/zinc/30/50/01/1069305001.db2.gz MKNUPZHFXXBXMZ-MGPUTAFESA-N 1 2 452.581 -0.579 20 0 JBADLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@H](CNC(=O)C[C@]2(C)CCS(=O)(=O)N2)CC3)CC1 ZINC001568833615 1069305106 /nfs/dbraw/zinc/30/51/06/1069305106.db2.gz MKNUPZHFXXBXMZ-QRWLVFNGSA-N 1 2 452.581 -0.579 20 0 JBADLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@@H](CNC(=O)C[C@]2(C)CCS(=O)(=O)N2)CC3)CC1 ZINC001568833616 1069305223 /nfs/dbraw/zinc/30/52/23/1069305223.db2.gz MKNUPZHFXXBXMZ-YWZLYKJASA-N 1 2 452.581 -0.579 20 0 JBADLO CCCCS(=O)(=O)NCC(=O)NC[C@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC001568833873 1069305134 /nfs/dbraw/zinc/30/51/34/1069305134.db2.gz SKJVHUABEXEXPR-INIZCTEOSA-N 1 2 454.597 -0.331 20 0 JBADLO CCCCS(=O)(=O)NCC(=O)NC[C@@H]1CCn2ncc(C(=O)N3CC[NH+](C)CC3)c2C1 ZINC001568833874 1069305163 /nfs/dbraw/zinc/30/51/63/1069305163.db2.gz SKJVHUABEXEXPR-MRXNPFEDSA-N 1 2 454.597 -0.331 20 0 JBADLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@@H](CNC(=O)CCCCCS(N)(=O)=O)CC3)CC1 ZINC001568833950 1069305034 /nfs/dbraw/zinc/30/50/34/1069305034.db2.gz VRCIFGXELLTTHY-INIZCTEOSA-N 1 2 454.597 -0.202 20 0 JBADLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@H](CNC(=O)CCCCCS(N)(=O)=O)CC3)CC1 ZINC001568833951 1069305344 /nfs/dbraw/zinc/30/53/44/1069305344.db2.gz VRCIFGXELLTTHY-MRXNPFEDSA-N 1 2 454.597 -0.202 20 0 JBADLO Cn1cnc(S(=O)(=O)NCC(=O)N2CC[NH+]([C@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)c1 ZINC001570072875 1069306817 /nfs/dbraw/zinc/30/68/17/1069306817.db2.gz DEPAADOYSWWCCL-HNNXBMFYSA-N 1 2 456.569 -0.148 20 0 JBADLO Cn1cnc(S(=O)(=O)NCC(=O)N2CC[NH+]([C@@H]3CCN(C(=O)OC(C)(C)C)C3)CC2)c1 ZINC001570072876 1069306889 /nfs/dbraw/zinc/30/68/89/1069306889.db2.gz DEPAADOYSWWCCL-OAHLLOKOSA-N 1 2 456.569 -0.148 20 0 JBADLO C[C@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)[C@@]12CN(C(=O)OC(C)(C)C)C[C@@H]1CS(=O)(=O)C2 ZINC001570635995 1069307330 /nfs/dbraw/zinc/30/73/30/1069307330.db2.gz ZRNCNGTUXCCYLW-BXTJHSDWSA-N 1 2 458.581 -0.154 20 0 JBADLO C[C@@H]1C(=O)N(CC[NH+](C)C)CN1C(=O)[C@@]12CN(C(=O)OC(C)(C)C)C[C@@H]1CS(=O)(=O)C2 ZINC001570635996 1069307235 /nfs/dbraw/zinc/30/72/35/1069307235.db2.gz ZRNCNGTUXCCYLW-STXHMFSFSA-N 1 2 458.581 -0.154 20 0 JBADLO COCCOCC[NH+]1CCN(C(=O)CNS(=O)(=O)c2ccc3c(c2)OCCCO3)CC1 ZINC001583231537 1069307576 /nfs/dbraw/zinc/30/75/76/1069307576.db2.gz YVPQLYXTRBJCDM-UHFFFAOYSA-N 1 2 457.549 -0.067 20 0 JBADLO CCN1C(=O)CO[C@H](C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)[C@H]1c1ccnn1C ZINC001583906769 1069308938 /nfs/dbraw/zinc/30/89/38/1069308938.db2.gz KQBRHDUEWSDHSO-YADHBBJMSA-N 1 2 469.546 -0.041 20 0 JBADLO CCN1C(=O)CO[C@H](C(=O)NCCC(=O)N2CCN(c3cccc[nH+]3)CC2)[C@H]1c1nccn1C ZINC001583907857 1069309110 /nfs/dbraw/zinc/30/91/10/1069309110.db2.gz XXNGUCLMHMDEHO-SFTDATJTSA-N 1 2 469.546 -0.041 20 0 JBADLO CCN1CC[NH+](CC(C)(C)NC(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)CC1 ZINC001584068166 1069309007 /nfs/dbraw/zinc/30/90/07/1069309007.db2.gz HOJVLJPDLZZVEA-UHFFFAOYSA-N 1 2 451.593 -0.047 20 0 JBADLO CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)c3cn(C)c(=O)n(C)c3=O)cc2)CC1 ZINC001584578297 1069309998 /nfs/dbraw/zinc/30/99/98/1069309998.db2.gz HNXFMBOQMRNQFR-UHFFFAOYSA-N 1 2 457.531 -0.401 20 0 JBADLO COCC(COC)[NH+]1CCN(C(=O)C2CCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)CC1 ZINC001584964550 1069310349 /nfs/dbraw/zinc/31/03/49/1069310349.db2.gz GCKFWIFJXQZZDM-UHFFFAOYSA-N 1 2 457.597 -0.065 20 0 JBADLO COCC(COC)[NH+]1CCN(C(=O)c2cccc(S(=O)(=O)N3CCNC(=O)C3)c2)CC1 ZINC001584964577 1069311161 /nfs/dbraw/zinc/31/11/61/1069311161.db2.gz HIWBBZRQHUJSGU-UHFFFAOYSA-N 1 2 454.549 -0.774 20 0 JBADLO COc1c(F)cc(CC(=O)NC2CC[NH+](CCS(C)(=O)=O)CC2)cc1S(N)(=O)=O ZINC001585275528 1069312086 /nfs/dbraw/zinc/31/20/86/1069312086.db2.gz JDFWQHWZSVQFKU-UHFFFAOYSA-N 1 2 451.542 -0.351 20 0 JBADLO NC(=O)C[N@H+]1CCC[C@@H](NC(=O)c2ccc(I)cc2-n2cnnn2)C1 ZINC001585295675 1069312975 /nfs/dbraw/zinc/31/29/75/1069312975.db2.gz FLCCSLAZDGRNEO-LLVKDONJSA-N 1 2 455.260 -0.054 20 0 JBADLO NC(=O)C[N@@H+]1CCC[C@@H](NC(=O)c2ccc(I)cc2-n2cnnn2)C1 ZINC001585295675 1069312963 /nfs/dbraw/zinc/31/29/63/1069312963.db2.gz FLCCSLAZDGRNEO-LLVKDONJSA-N 1 2 455.260 -0.054 20 0 JBADLO NC(=O)C[N@H+]1CCC[C@H](NC(=O)c2ccc(I)cc2-n2cnnn2)C1 ZINC001585295676 1069312773 /nfs/dbraw/zinc/31/27/73/1069312773.db2.gz FLCCSLAZDGRNEO-NSHDSACASA-N 1 2 455.260 -0.054 20 0 JBADLO NC(=O)C[N@@H+]1CCC[C@H](NC(=O)c2ccc(I)cc2-n2cnnn2)C1 ZINC001585295676 1069312749 /nfs/dbraw/zinc/31/27/49/1069312749.db2.gz FLCCSLAZDGRNEO-NSHDSACASA-N 1 2 455.260 -0.054 20 0 JBADLO C[C@@H](C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1)[NH+]1CCN(C)CC1 ZINC001585979387 1069314111 /nfs/dbraw/zinc/31/41/11/1069314111.db2.gz ZQUKGQKHBRNRON-HNNXBMFYSA-N 1 2 451.549 -0.514 20 0 JBADLO C[C@H](C(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1)[NH+]1CCN(C)CC1 ZINC001585979388 1069314202 /nfs/dbraw/zinc/31/42/02/1069314202.db2.gz ZQUKGQKHBRNRON-OAHLLOKOSA-N 1 2 451.549 -0.514 20 0 JBADLO O=C(Cc1ccc(S(=O)(=O)N2CCOCC2)s1)N1CCO[C@@H](C[NH+]2CCOCC2)C1 ZINC001586248355 1069314685 /nfs/dbraw/zinc/31/46/85/1069314685.db2.gz KVYDNGHIJVZJAP-INIZCTEOSA-N 1 2 459.590 -0.129 20 0 JBADLO O=C(Cc1ccc(S(=O)(=O)N2CCOCC2)s1)N1CCO[C@H](C[NH+]2CCOCC2)C1 ZINC001586248356 1069314833 /nfs/dbraw/zinc/31/48/33/1069314833.db2.gz KVYDNGHIJVZJAP-MRXNPFEDSA-N 1 2 459.590 -0.129 20 0 JBADLO C[C@@H](CO)NS(=O)(=O)c1ccc(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC001586753936 1069316172 /nfs/dbraw/zinc/31/61/72/1069316172.db2.gz GCIUPFVMDRQVPS-DOTOQJQBSA-N 1 2 454.549 -0.991 20 0 JBADLO C[C@H](CO)NS(=O)(=O)c1ccc(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC001586753937 1069316001 /nfs/dbraw/zinc/31/60/01/1069316001.db2.gz GCIUPFVMDRQVPS-NVXWUHKLSA-N 1 2 454.549 -0.991 20 0 JBADLO C[C@@H](CO)NS(=O)(=O)c1ccc(C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC001586753939 1069316579 /nfs/dbraw/zinc/31/65/79/1069316579.db2.gz GCIUPFVMDRQVPS-RDJZCZTQSA-N 1 2 454.549 -0.991 20 0 JBADLO C[C@H](CO)NS(=O)(=O)c1ccc(C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC001586753941 1069316911 /nfs/dbraw/zinc/31/69/11/1069316911.db2.gz GCIUPFVMDRQVPS-WBVHZDCISA-N 1 2 454.549 -0.991 20 0 JBADLO Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)N[C@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)C2=O)cc1 ZINC001586754772 1069316878 /nfs/dbraw/zinc/31/68/78/1069316878.db2.gz SBNQAMWFTAKZNK-FDDCHVKYSA-N 1 2 457.531 -0.189 20 0 JBADLO Cc1ccc([C@]2(C)NC(=O)N(CC(=O)N[C@@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)C2=O)cc1 ZINC001586754773 1069316631 /nfs/dbraw/zinc/31/66/31/1069316631.db2.gz SBNQAMWFTAKZNK-JPYJTQIMSA-N 1 2 457.531 -0.189 20 0 JBADLO Cc1ccc([C@]2(C)NC(=O)N(CC(=O)N[C@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)C2=O)cc1 ZINC001586754775 1069316853 /nfs/dbraw/zinc/31/68/53/1069316853.db2.gz SBNQAMWFTAKZNK-MBSDFSHPSA-N 1 2 457.531 -0.189 20 0 JBADLO Cc1ccc([C@@]2(C)NC(=O)N(CC(=O)N[C@@H]3CC(=O)N(CC[NH+]4CCOCC4)C3)C2=O)cc1 ZINC001586754776 1069316770 /nfs/dbraw/zinc/31/67/70/1069316770.db2.gz SBNQAMWFTAKZNK-WZONZLPQSA-N 1 2 457.531 -0.189 20 0 JBADLO O=C(CN1CCN(C(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)CC1)N[C@H]1CCS(=O)(=O)C1 ZINC001586759073 1069317302 /nfs/dbraw/zinc/31/73/02/1069317302.db2.gz IQRGRXUFCAPKFY-KBPBESRZSA-N 1 2 451.471 -0.176 20 0 JBADLO O=C(CN1CCN(C(=O)C[C@H](n2cc[nH+]c2)C(F)(F)F)CC1)N[C@@H]1CCS(=O)(=O)C1 ZINC001586759074 1069317354 /nfs/dbraw/zinc/31/73/54/1069317354.db2.gz IQRGRXUFCAPKFY-KGLIPLIRSA-N 1 2 451.471 -0.176 20 0 JBADLO O=C(CN1CCN(C(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)CC1)N[C@H]1CCS(=O)(=O)C1 ZINC001586759075 1069317138 /nfs/dbraw/zinc/31/71/38/1069317138.db2.gz IQRGRXUFCAPKFY-UONOGXRCSA-N 1 2 451.471 -0.176 20 0 JBADLO O=C(CN1CCN(C(=O)C[C@@H](n2cc[nH+]c2)C(F)(F)F)CC1)N[C@@H]1CCS(=O)(=O)C1 ZINC001586759076 1069317233 /nfs/dbraw/zinc/31/72/33/1069317233.db2.gz IQRGRXUFCAPKFY-ZIAGYGMSSA-N 1 2 451.471 -0.176 20 0 JBADLO Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@H](C(=O)N2CC[NH+](CCn3cncn3)CC2)C1 ZINC001586802548 1069318432 /nfs/dbraw/zinc/31/84/32/1069318432.db2.gz KDVMQELITNEYQP-KRWDZBQOSA-N 1 2 450.569 -0.137 20 0 JBADLO Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@@H](C(=O)N2CC[NH+](CCn3cncn3)CC2)C1 ZINC001586802554 1069318142 /nfs/dbraw/zinc/31/81/42/1069318142.db2.gz KDVMQELITNEYQP-QGZVFWFLSA-N 1 2 450.569 -0.137 20 0 JBADLO Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N(C)C[C@H](O)C[NH+]3CCOCC3)CC2)cc1 ZINC001587654789 1069320403 /nfs/dbraw/zinc/32/04/03/1069320403.db2.gz PZSIIEPEJPAKNB-IBGZPJMESA-N 1 2 454.593 -0.547 20 0 JBADLO Cc1ccc(S(=O)(=O)N2CCN(CC(=O)N(C)C[C@@H](O)C[NH+]3CCOCC3)CC2)cc1 ZINC001587654790 1069320364 /nfs/dbraw/zinc/32/03/64/1069320364.db2.gz PZSIIEPEJPAKNB-LJQANCHMSA-N 1 2 454.593 -0.547 20 0 JBADLO NC(=O)C[C@H](NC(=O)Cc1cccc(F)c1)C(=O)N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC001588199556 1069325840 /nfs/dbraw/zinc/32/58/40/1069325840.db2.gz OQYKALQNBRWYON-MOPGFXCFSA-N 1 2 450.511 -0.322 20 0 JBADLO NC(=O)C[C@H](NC(=O)Cc1cccc(F)c1)C(=O)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC001588199558 1069325787 /nfs/dbraw/zinc/32/57/87/1069325787.db2.gz OQYKALQNBRWYON-OALUTQOASA-N 1 2 450.511 -0.322 20 0 JBADLO NC(=O)C[C@@H](NC(=O)Cc1cccc(F)c1)C(=O)N1CC[C@H](OCC[NH+]2CCOCC2)C1 ZINC001588199559 1069325938 /nfs/dbraw/zinc/32/59/38/1069325938.db2.gz OQYKALQNBRWYON-RBUKOAKNSA-N 1 2 450.511 -0.322 20 0 JBADLO NC(=O)C[C@@H](NC(=O)Cc1cccc(F)c1)C(=O)N1CC[C@@H](OCC[NH+]2CCOCC2)C1 ZINC001588199562 1069326049 /nfs/dbraw/zinc/32/60/49/1069326049.db2.gz OQYKALQNBRWYON-RTBURBONSA-N 1 2 450.511 -0.322 20 0 JBADLO COc1ccc([C@@]2(C(=O)N3CCN(S(=O)(=O)N4CC[NH+](C)CC4)CC3)C[C@@H](O)C2)cc1 ZINC001595547535 1069334335 /nfs/dbraw/zinc/33/43/35/1069334335.db2.gz HBHMWGFJLZNDLJ-XGAFWQRZSA-N 1 2 452.577 -0.276 20 0 JBADLO Cc1sc2ncc(C(=O)N3CCN(S(=O)(=O)N4CC[NH+](C)CC4)CC3)c(=O)n2c1C ZINC001595547611 1069334617 /nfs/dbraw/zinc/33/46/17/1069334617.db2.gz IQXKGZHBRBREFW-UHFFFAOYSA-N 1 2 454.578 -0.377 20 0 JBADLO C[C@H]1C(=O)Nc2cc(C(=O)N3CCN(S(=O)(=O)N4CC[NH+](C)CC4)CC3)ccc2N1C ZINC001595547672 1069334652 /nfs/dbraw/zinc/33/46/52/1069334652.db2.gz IZQDVRTXSGWDLF-HNNXBMFYSA-N 1 2 450.565 -0.287 20 0 JBADLO C[C@@H]1C(=O)Nc2cc(C(=O)N3CCN(S(=O)(=O)N4CC[NH+](C)CC4)CC3)ccc2N1C ZINC001595547681 1069334420 /nfs/dbraw/zinc/33/44/20/1069334420.db2.gz IZQDVRTXSGWDLF-OAHLLOKOSA-N 1 2 450.565 -0.287 20 0 JBADLO CC(C)CNC(=O)N1CCC[C@@H](C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC001595547958 1069334481 /nfs/dbraw/zinc/33/44/81/1069334481.db2.gz LSEAIHBBNKYYEG-GOSISDBHSA-N 1 2 458.629 -0.300 20 0 JBADLO CC(C)CNC(=O)N1CCC[C@H](C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)C1 ZINC001595547960 1069334456 /nfs/dbraw/zinc/33/44/56/1069334456.db2.gz LSEAIHBBNKYYEG-SFHVURJKSA-N 1 2 458.629 -0.300 20 0 JBADLO Cc1cc(F)ccc1-n1cc(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)nn1 ZINC001595548396 1069334981 /nfs/dbraw/zinc/33/49/81/1069334981.db2.gz SVAMKANHDLROTH-UHFFFAOYSA-N 1 2 451.528 -0.035 20 0 JBADLO CCS(=O)(=O)c1ccc(C(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c(N)c1 ZINC001595548427 1069335307 /nfs/dbraw/zinc/33/53/07/1069335307.db2.gz UXAPNBINXOQVKF-UHFFFAOYSA-N 1 2 459.594 -0.688 20 0 JBADLO CN1CCN(S(=O)(=O)N2CCN(C(=O)c3cccn3CC[NH+]3CCOCC3)CC2)CC1 ZINC001595548712 1069335226 /nfs/dbraw/zinc/33/52/26/1069335226.db2.gz ZEJDORKYAKXCIZ-UHFFFAOYSA-N 1 2 454.597 -0.930 20 0 JBADLO CN(C)C(=O)C[N@H+]1CCCN(C(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(F)cc2)CC1 ZINC001595757407 1069337798 /nfs/dbraw/zinc/33/77/98/1069337798.db2.gz AUKUDXAGAHPRJJ-AEFFLSMTSA-N 1 2 456.540 -0.428 20 0 JBADLO CN(C)C(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(F)cc2)CC1 ZINC001595757407 1069337780 /nfs/dbraw/zinc/33/77/80/1069337780.db2.gz AUKUDXAGAHPRJJ-AEFFLSMTSA-N 1 2 456.540 -0.428 20 0 JBADLO CC(=O)N1CC[NH+](CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H]([C@H]3CCCO3)C2)CC1 ZINC001596275233 1069345161 /nfs/dbraw/zinc/34/51/61/1069345161.db2.gz HJULDIGLPFKKII-QXAKKESOSA-N 1 2 499.638 -0.563 20 0 JBADLO CC(=O)N1CC[NH+](CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H]([C@H]3CCCO3)C2)CC1 ZINC001596275234 1069345138 /nfs/dbraw/zinc/34/51/38/1069345138.db2.gz HJULDIGLPFKKII-UHOSZYNNSA-N 1 2 499.638 -0.563 20 0 JBADLO CC(=O)N1CC[NH+](CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@H]([C@@H]3CCCO3)C2)CC1 ZINC001596275235 1069345461 /nfs/dbraw/zinc/34/54/61/1069345461.db2.gz HJULDIGLPFKKII-WDSOQIARSA-N 1 2 499.638 -0.563 20 0 JBADLO CC(=O)N1CC[NH+](CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CCO[C@@H]([C@@H]3CCCO3)C2)CC1 ZINC001596275236 1069345571 /nfs/dbraw/zinc/34/55/71/1069345571.db2.gz HJULDIGLPFKKII-YTQUADARSA-N 1 2 499.638 -0.563 20 0 JBADLO CC(=O)N1CC[NH+](CCn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)C[C@H]2CCCO2)CC1 ZINC001596276718 1069346182 /nfs/dbraw/zinc/34/61/82/1069346182.db2.gz QHWBARKJADNBKH-DOTOQJQBSA-N 1 2 457.601 -0.332 20 0 JBADLO CC(=O)N1CC[NH+](CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)C[C@H]2CCCO2)CC1 ZINC001596276719 1069346014 /nfs/dbraw/zinc/34/60/14/1069346014.db2.gz QHWBARKJADNBKH-NVXWUHKLSA-N 1 2 457.601 -0.332 20 0 JBADLO CC(=O)N1CC[NH+](CCn2c(C(C)C)nnc2N2CCN(C(=O)C(=O)N3CCOCC3)CC2)CC1 ZINC001596277960 1069346269 /nfs/dbraw/zinc/34/62/69/1069346269.db2.gz UAXQLRJBVXVMMS-UHFFFAOYSA-N 1 2 490.609 -0.927 20 0 JBADLO CC(=O)N1CC[NH+](CCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC=CCC2)CC1 ZINC001596288796 1069346804 /nfs/dbraw/zinc/34/68/04/1069346804.db2.gz IYLOZFMCYBGROF-GOSISDBHSA-N 1 2 467.596 -0.459 20 0 JBADLO CC(=O)N1CC[NH+](CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CC=CCC2)CC1 ZINC001596288798 1069346908 /nfs/dbraw/zinc/34/69/08/1069346908.db2.gz IYLOZFMCYBGROF-SFHVURJKSA-N 1 2 467.596 -0.459 20 0 JBADLO CC(=O)N1CC[NH+](CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC=C(C)C2)CC1 ZINC001596289369 1069346830 /nfs/dbraw/zinc/34/68/30/1069346830.db2.gz OMNQRERLQNQWBM-IBGZPJMESA-N 1 2 481.623 -0.069 20 0 JBADLO CC(=O)N1CC[NH+](CCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCC=C(C)C2)CC1 ZINC001596289372 1069346602 /nfs/dbraw/zinc/34/66/02/1069346602.db2.gz OMNQRERLQNQWBM-LJQANCHMSA-N 1 2 481.623 -0.069 20 0 JBADLO CC(=O)N1CC[NH+](CCn2c(Cc3ccccn3)nnc2N2CCC(OCC(N)=O)CC2)CC1 ZINC001596289380 1069346696 /nfs/dbraw/zinc/34/66/96/1069346696.db2.gz ONTBYRFCCJXKSD-UHFFFAOYSA-N 1 2 470.578 -0.101 20 0 JBADLO CC(=O)N1CC[NH+](CCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C2CCC2)CC1 ZINC001596289580 1069346436 /nfs/dbraw/zinc/34/64/36/1069346436.db2.gz QAXPPHPCPKFWPS-GOSISDBHSA-N 1 2 469.612 -0.236 20 0 JBADLO CC(=O)N1CC[NH+](CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C2CCC2)CC1 ZINC001596289581 1069347256 /nfs/dbraw/zinc/34/72/56/1069347256.db2.gz QAXPPHPCPKFWPS-SFHVURJKSA-N 1 2 469.612 -0.236 20 0 JBADLO CC(=O)N1CC[NH+](CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@H]2CCOC2)CC1 ZINC001596289601 1069347149 /nfs/dbraw/zinc/34/71/49/1069347149.db2.gz QKKNMJMGXVHMNU-MOPGFXCFSA-N 1 2 499.638 -0.752 20 0 JBADLO CC(=O)N1CC[NH+](CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@@H]2CCOC2)CC1 ZINC001596289602 1069347209 /nfs/dbraw/zinc/34/72/09/1069347209.db2.gz QKKNMJMGXVHMNU-OALUTQOASA-N 1 2 499.638 -0.752 20 0 JBADLO CC(=O)N1CC[NH+](CCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@@H]2CCOC2)CC1 ZINC001596289603 1069347552 /nfs/dbraw/zinc/34/75/52/1069347552.db2.gz QKKNMJMGXVHMNU-RBUKOAKNSA-N 1 2 499.638 -0.752 20 0 JBADLO CC(=O)N1CC[NH+](CCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N(C)C[C@H]2CCOC2)CC1 ZINC001596289604 1069347446 /nfs/dbraw/zinc/34/74/46/1069347446.db2.gz QKKNMJMGXVHMNU-RTBURBONSA-N 1 2 499.638 -0.752 20 0 JBADLO CC(=O)N1CC[NH+](CCn2c([C@@H]3CCCOC3)nnc2N2CCC(NS(C)(=O)=O)CC2)CC1 ZINC001596289951 1069347230 /nfs/dbraw/zinc/34/72/30/1069347230.db2.gz UYKSSOVBILBPHU-GOSISDBHSA-N 1 2 483.639 -0.146 20 0 JBADLO CC(=O)N1CC[NH+](CCn2c([C@H]3CCCOC3)nnc2N2CCC(NS(C)(=O)=O)CC2)CC1 ZINC001596289952 1069347102 /nfs/dbraw/zinc/34/71/02/1069347102.db2.gz UYKSSOVBILBPHU-SFHVURJKSA-N 1 2 483.639 -0.146 20 0 JBADLO CC(=O)N1CC[NH+](CCn2c([C@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCCOCC2)CC1 ZINC001596290116 1069347315 /nfs/dbraw/zinc/34/73/15/1069347315.db2.gz VPQCCGNUWTYYKQ-GOSISDBHSA-N 1 2 485.611 -0.998 20 0 JBADLO CC(=O)N1CC[NH+](CCn2c([C@@H]3CN(S(C)(=O)=O)CCO3)nnc2N2CCCOCC2)CC1 ZINC001596290117 1069347476 /nfs/dbraw/zinc/34/74/76/1069347476.db2.gz VPQCCGNUWTYYKQ-SFHVURJKSA-N 1 2 485.611 -0.998 20 0 JBADLO CC(=O)N1CC[NH+](CCn2c(Cc3ccccn3)nnc2N(C)CC(=O)N2CCOCC2)CC1 ZINC001596290195 1069347182 /nfs/dbraw/zinc/34/71/82/1069347182.db2.gz YGZGBLMVHZTDAJ-UHFFFAOYSA-N 1 2 470.578 -0.277 20 0 JBADLO CC(=O)N1CC[NH+](CCn2c(Cc3ccccn3)nnc2N2CCN(S(C)(=O)=O)CC2)CC1 ZINC001596296515 1069347348 /nfs/dbraw/zinc/34/73/48/1069347348.db2.gz FVDPNQCDKBMFSG-UHFFFAOYSA-N 1 2 476.607 -0.490 20 0 JBADLO CC(=O)N1CC[NH+](CCn2c(CN3CCCC3=O)nnc2N2CCC[C@H](CC(N)=O)C2)CC1 ZINC001596296546 1069347277 /nfs/dbraw/zinc/34/72/77/1069347277.db2.gz HRLSUPAEXXWVIF-GOSISDBHSA-N 1 2 460.583 -0.344 20 0 JBADLO CC(=O)N1CC[NH+](CCn2c(CN3CCCC3=O)nnc2N2CCC[C@@H](CC(N)=O)C2)CC1 ZINC001596296547 1069347522 /nfs/dbraw/zinc/34/75/22/1069347522.db2.gz HRLSUPAEXXWVIF-SFHVURJKSA-N 1 2 460.583 -0.344 20 0 JBADLO CC(=O)N1CC[NH+](CCn2c(N3CCN(C(=O)CN4CCOCC4)CC3)nnc2C(C)(C)C)CC1 ZINC001596297241 1069347411 /nfs/dbraw/zinc/34/74/11/1069347411.db2.gz MSGUGTRRYQYRMV-UHFFFAOYSA-N 1 2 490.653 -0.280 20 0 JBADLO CC(=O)N1CC[NH+](CCn2c(CN3CCCC3=O)nnc2N2CCN(C(C)=O)C[C@@H]2C)CC1 ZINC001596297506 1069348085 /nfs/dbraw/zinc/34/80/85/1069348085.db2.gz SCEGHMTXXTVNDV-KRWDZBQOSA-N 1 2 460.583 -0.378 20 0 JBADLO CC(=O)N1CC[NH+](CCn2c(CN3CCCC3=O)nnc2N2CCN(C(C)=O)C[C@H]2C)CC1 ZINC001596297507 1069347814 /nfs/dbraw/zinc/34/78/14/1069347814.db2.gz SCEGHMTXXTVNDV-QGZVFWFLSA-N 1 2 460.583 -0.378 20 0 JBADLO CC(=O)N1CC[NH+](CCn2c(Cn3nc(C)cc3C)nnc2N2CC(=O)N(C)[C@H](C)C2)CC1 ZINC001596297816 1069347741 /nfs/dbraw/zinc/34/77/41/1069347741.db2.gz WLJUUHLLKWIISY-GOSISDBHSA-N 1 2 457.583 -0.029 20 0 JBADLO CC(=O)N1CC[NH+](CCn2c(Cn3nc(C)cc3C)nnc2N2CC(=O)N(C)[C@@H](C)C2)CC1 ZINC001596297817 1069347945 /nfs/dbraw/zinc/34/79/45/1069347945.db2.gz WLJUUHLLKWIISY-SFHVURJKSA-N 1 2 457.583 -0.029 20 0 JBADLO CC(=O)N1CC[NH+](CCn2c(N3CCN(C(=O)C(=O)NC(C)C)CC3)nnc2C(C)(C)C)CC1 ZINC001596297857 1069347886 /nfs/dbraw/zinc/34/78/86/1069347886.db2.gz YEJCDBNILJPWBS-UHFFFAOYSA-N 1 2 476.626 -0.087 20 0 JBADLO CC(=O)N1CC[NH+](CCn2c([C@H]3CCCO3)nnc2N2CCC(NS(C)(=O)=O)CC2)CC1 ZINC001596305077 1069348040 /nfs/dbraw/zinc/34/80/40/1069348040.db2.gz MGOAPLYVGJWQRG-GOSISDBHSA-N 1 2 469.612 -0.188 20 0 JBADLO CC(=O)NC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[N@H+]2CCOC[C@H]2C)CC1 ZINC001596478013 1069348771 /nfs/dbraw/zinc/34/87/71/1069348771.db2.gz DCIPKCYLGREJEG-CABCVRRESA-N 1 2 457.601 -0.286 20 0 JBADLO CC(=O)NC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[N@@H+]2CCOC[C@H]2C)CC1 ZINC001596478013 1069348758 /nfs/dbraw/zinc/34/87/58/1069348758.db2.gz DCIPKCYLGREJEG-CABCVRRESA-N 1 2 457.601 -0.286 20 0 JBADLO CC(=O)NC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[N@H+]2CCOC[C@@H]2C)CC1 ZINC001596478102 1069349040 /nfs/dbraw/zinc/34/90/40/1069349040.db2.gz DCIPKCYLGREJEG-GJZGRUSLSA-N 1 2 457.601 -0.286 20 0 JBADLO CC(=O)NC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC001596478102 1069349025 /nfs/dbraw/zinc/34/90/25/1069349025.db2.gz DCIPKCYLGREJEG-GJZGRUSLSA-N 1 2 457.601 -0.286 20 0 JBADLO CC(=O)NC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[N@H+]2CCOC[C@H]2C)CC1 ZINC001596478104 1069348883 /nfs/dbraw/zinc/34/88/83/1069348883.db2.gz DCIPKCYLGREJEG-HUUCEWRRSA-N 1 2 457.601 -0.286 20 0 JBADLO CC(=O)NC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[N@@H+]2CCOC[C@H]2C)CC1 ZINC001596478104 1069348868 /nfs/dbraw/zinc/34/88/68/1069348868.db2.gz DCIPKCYLGREJEG-HUUCEWRRSA-N 1 2 457.601 -0.286 20 0 JBADLO CC(=O)NC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[N@H+]2CCOC[C@@H]2C)CC1 ZINC001596478106 1069348969 /nfs/dbraw/zinc/34/89/69/1069348969.db2.gz DCIPKCYLGREJEG-LSDHHAIUSA-N 1 2 457.601 -0.286 20 0 JBADLO CC(=O)NC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC001596478106 1069348953 /nfs/dbraw/zinc/34/89/53/1069348953.db2.gz DCIPKCYLGREJEG-LSDHHAIUSA-N 1 2 457.601 -0.286 20 0 JBADLO CC(=O)NC[C@H]1CN(c2nnc(C(=O)NC(C)C)n2CC[N@H+]2CCOCC2(C)C)CCO1 ZINC001596626127 1069350487 /nfs/dbraw/zinc/35/04/87/1069350487.db2.gz TVBLUEYULHFMBJ-KRWDZBQOSA-N 1 2 451.572 -0.132 20 0 JBADLO CC(=O)NC[C@H]1CN(c2nnc(C(=O)NC(C)C)n2CC[N@@H+]2CCOCC2(C)C)CCO1 ZINC001596626127 1069350479 /nfs/dbraw/zinc/35/04/79/1069350479.db2.gz TVBLUEYULHFMBJ-KRWDZBQOSA-N 1 2 451.572 -0.132 20 0 JBADLO CC(=O)NC[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2CC[N@H+]2CCOCC2(C)C)CCO1 ZINC001596626128 1069350589 /nfs/dbraw/zinc/35/05/89/1069350589.db2.gz TVBLUEYULHFMBJ-QGZVFWFLSA-N 1 2 451.572 -0.132 20 0 JBADLO CC(=O)NC[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2CC[N@@H+]2CCOCC2(C)C)CCO1 ZINC001596626128 1069350574 /nfs/dbraw/zinc/35/05/74/1069350574.db2.gz TVBLUEYULHFMBJ-QGZVFWFLSA-N 1 2 451.572 -0.132 20 0 JBADLO CC(=O)NC[C@H]1CN(c2nnc(C(=O)NC(C)C)n2CC(C)(C)[NH+]2CCOCC2)CCO1 ZINC001596626236 1069350721 /nfs/dbraw/zinc/35/07/21/1069350721.db2.gz WHLADFMXZZYNMD-KRWDZBQOSA-N 1 2 451.572 -0.132 20 0 JBADLO CC(=O)NC[C@@H]1CN(c2nnc(C(=O)NC(C)C)n2CC(C)(C)[NH+]2CCOCC2)CCO1 ZINC001596626237 1069350506 /nfs/dbraw/zinc/35/05/06/1069350506.db2.gz WHLADFMXZZYNMD-QGZVFWFLSA-N 1 2 451.572 -0.132 20 0 JBADLO Cc1cc(S(=O)(=O)NCCNC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c(C)s1 ZINC001596643632 1069351096 /nfs/dbraw/zinc/35/10/96/1069351096.db2.gz NTEMEWGEZHBDEV-INIZCTEOSA-N 1 2 458.606 -0.060 20 0 JBADLO Cc1cc(S(=O)(=O)NCCNC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c(C)s1 ZINC001596643633 1069350923 /nfs/dbraw/zinc/35/09/23/1069350923.db2.gz NTEMEWGEZHBDEV-MRXNPFEDSA-N 1 2 458.606 -0.060 20 0 JBADLO O=C(c1cc(-n2cc[nH+]c2)ccc1O)N1CCN(S(=O)(=O)[C@H]2CCS(=O)(=O)C2)CC1 ZINC001596759008 1069354962 /nfs/dbraw/zinc/35/49/62/1069354962.db2.gz SZCULKNKAHBFEM-HNNXBMFYSA-N 1 2 454.530 -0.147 20 0 JBADLO O=C(c1cc(-n2cc[nH+]c2)ccc1O)N1CCN(S(=O)(=O)[C@@H]2CCS(=O)(=O)C2)CC1 ZINC001596759009 1069354821 /nfs/dbraw/zinc/35/48/21/1069354821.db2.gz SZCULKNKAHBFEM-OAHLLOKOSA-N 1 2 454.530 -0.147 20 0 JBADLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(c2nnc([C@H]3CCOC3)n2CCOCCS(C)(=O)=O)CC1 ZINC001596857058 1069355706 /nfs/dbraw/zinc/35/57/06/1069355706.db2.gz GUOHFTHCSZJLDK-MOPGFXCFSA-N 1 2 498.650 -0.024 20 0 JBADLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(c2nnc([C@H]3CCOC3)n2CCOCCS(C)(=O)=O)CC1 ZINC001596857059 1069355497 /nfs/dbraw/zinc/35/54/97/1069355497.db2.gz GUOHFTHCSZJLDK-OALUTQOASA-N 1 2 498.650 -0.024 20 0 JBADLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(c2nnc([C@@H]3CCOC3)n2CCOCCS(C)(=O)=O)CC1 ZINC001596857060 1069355736 /nfs/dbraw/zinc/35/57/36/1069355736.db2.gz GUOHFTHCSZJLDK-RBUKOAKNSA-N 1 2 498.650 -0.024 20 0 JBADLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(c2nnc([C@@H]3CCOC3)n2CCOCCS(C)(=O)=O)CC1 ZINC001596857061 1069355522 /nfs/dbraw/zinc/35/55/22/1069355522.db2.gz GUOHFTHCSZJLDK-RTBURBONSA-N 1 2 498.650 -0.024 20 0 JBADLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(=O)NCC(F)F)CC1 ZINC001596857498 1069355778 /nfs/dbraw/zinc/35/57/78/1069355778.db2.gz LPPTXJDBNWRHCT-CABCVRRESA-N 1 2 482.536 -0.257 20 0 JBADLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC(=O)NCC(F)F)CC1 ZINC001596857499 1069355449 /nfs/dbraw/zinc/35/54/49/1069355449.db2.gz LPPTXJDBNWRHCT-GJZGRUSLSA-N 1 2 482.536 -0.257 20 0 JBADLO C[C@H](C(=O)N1CCCC1)[NH+]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC(=O)NCC(F)F)CC1 ZINC001596857500 1069355548 /nfs/dbraw/zinc/35/55/48/1069355548.db2.gz LPPTXJDBNWRHCT-HUUCEWRRSA-N 1 2 482.536 -0.257 20 0 JBADLO C[C@@H](C(=O)N1CCCC1)[NH+]1CCN(c2nnc([C@H]3CCC(=O)N3)n2CC(=O)NCC(F)F)CC1 ZINC001596857501 1069356066 /nfs/dbraw/zinc/35/60/66/1069356066.db2.gz LPPTXJDBNWRHCT-LSDHHAIUSA-N 1 2 482.536 -0.257 20 0 JBADLO CS(=O)(=O)c1cccc(S(=O)(=O)NCC(=O)NC2CC[NH+]([C@H]3CCOC3=O)CC2)c1 ZINC001597159280 1069357595 /nfs/dbraw/zinc/35/75/95/1069357595.db2.gz KWRQQEBWRVJNFG-INIZCTEOSA-N 1 2 459.546 -0.736 20 0 JBADLO CS(=O)(=O)c1cccc(S(=O)(=O)NCC(=O)NC2CC[NH+]([C@@H]3CCOC3=O)CC2)c1 ZINC001597159283 1069357481 /nfs/dbraw/zinc/35/74/81/1069357481.db2.gz KWRQQEBWRVJNFG-MRXNPFEDSA-N 1 2 459.546 -0.736 20 0 JBADLO CC(C)(C)[NH+]1CCN(c2nnc(CN3CCCC3=O)n2C[C@@]2(O)CCS(=O)(=O)C2)CC1 ZINC001597409968 1069359282 /nfs/dbraw/zinc/35/92/82/1069359282.db2.gz LHRFQMCBGFPGJW-FQEVSTJZSA-N 1 2 454.597 -0.129 20 0 JBADLO CC(C)(C)[NH+]1CCN(c2nnc(CN3CCCC3=O)n2C[C@]2(O)CCS(=O)(=O)C2)CC1 ZINC001597409969 1069359150 /nfs/dbraw/zinc/35/91/50/1069359150.db2.gz LHRFQMCBGFPGJW-HXUWFJFHSA-N 1 2 454.597 -0.129 20 0 JBADLO CC(C)(Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCNC(=O)CC1)[NH+]1CCOCC1 ZINC001597772740 1069360148 /nfs/dbraw/zinc/36/01/48/1069360148.db2.gz JUQTWLRJXLONEK-INIZCTEOSA-N 1 2 485.611 -0.952 20 0 JBADLO CC(C)(Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCNC(=O)CC1)[NH+]1CCOCC1 ZINC001597772744 1069360009 /nfs/dbraw/zinc/36/00/09/1069360009.db2.gz JUQTWLRJXLONEK-MRXNPFEDSA-N 1 2 485.611 -0.952 20 0 JBADLO CC(C)(Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C(N)=O)C1)[NH+]1CCOCC1 ZINC001597773534 1069360043 /nfs/dbraw/zinc/36/00/43/1069360043.db2.gz XTRCGPZWGPXQJX-DLBZAZTESA-N 1 2 499.638 -0.577 20 0 JBADLO CC(C)(Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC[C@H](C(N)=O)C1)[NH+]1CCOCC1 ZINC001597773535 1069360296 /nfs/dbraw/zinc/36/02/96/1069360296.db2.gz XTRCGPZWGPXQJX-IRXDYDNUSA-N 1 2 499.638 -0.577 20 0 JBADLO Cn1cc([C@@H]2[C@@H](C(=O)NCc3ccccc3OCC[NH+]3CCOCC3)[C@@H](O)C(=O)N2C)cn1 ZINC001597789953 1069359961 /nfs/dbraw/zinc/35/99/61/1069359961.db2.gz VNTWCUKHPYYTNC-NJDAHSKKSA-N 1 2 457.531 -0.062 20 0 JBADLO CC(C)C(=O)N1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](C)[NH+]2CCOCC2)CC1 ZINC001597940856 1069361791 /nfs/dbraw/zinc/36/17/91/1069361791.db2.gz HJIFOEHFTPGJLS-DLBZAZTESA-N 1 2 471.628 -0.086 20 0 JBADLO CC(C)C(=O)N1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](C)[NH+]2CCOCC2)CC1 ZINC001597940859 1069361547 /nfs/dbraw/zinc/36/15/47/1069361547.db2.gz HJIFOEHFTPGJLS-IAGOWNOFSA-N 1 2 471.628 -0.086 20 0 JBADLO CC(C)C(=O)N1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](C)[NH+]2CCOCC2)CC1 ZINC001597940862 1069361592 /nfs/dbraw/zinc/36/15/92/1069361592.db2.gz HJIFOEHFTPGJLS-IRXDYDNUSA-N 1 2 471.628 -0.086 20 0 JBADLO CC(C)C(=O)N1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](C)[NH+]2CCOCC2)CC1 ZINC001597940863 1069361736 /nfs/dbraw/zinc/36/17/36/1069361736.db2.gz HJIFOEHFTPGJLS-SJORKVTESA-N 1 2 471.628 -0.086 20 0 JBADLO CC(C)C[NH+]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCN2CCCS2(=O)=O)CC1 ZINC001607530515 1069369228 /nfs/dbraw/zinc/36/92/28/1069369228.db2.gz FRBIWWQGMKMVNL-KRWDZBQOSA-N 1 2 474.653 -0.006 20 0 JBADLO CC(C)C[NH+]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCN2CCCS2(=O)=O)CC1 ZINC001607530517 1069368962 /nfs/dbraw/zinc/36/89/62/1069368962.db2.gz FRBIWWQGMKMVNL-QGZVFWFLSA-N 1 2 474.653 -0.006 20 0 JBADLO CC(C)[NH+]1CCN(c2nnc([C@H]3CCS(=O)(=O)C3)n2CCC(=O)N2CCOCC2)CC1 ZINC001608145727 1069373035 /nfs/dbraw/zinc/37/30/35/1069373035.db2.gz BKUFCZZEXHEMKS-KRWDZBQOSA-N 1 2 454.597 -0.041 20 0 JBADLO CC(C)[NH+]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2CCC(=O)N2CCOCC2)CC1 ZINC001608145729 1069373007 /nfs/dbraw/zinc/37/30/07/1069373007.db2.gz BKUFCZZEXHEMKS-QGZVFWFLSA-N 1 2 454.597 -0.041 20 0 JBADLO CC(C)[NH+]1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CCCS(C)(=O)=O)CC1 ZINC001608146050 1069372817 /nfs/dbraw/zinc/37/28/17/1069372817.db2.gz GYNQMBZPGUBKJB-INIZCTEOSA-N 1 2 478.641 -0.424 20 0 JBADLO CC(C)[NH+]1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CCCS(C)(=O)=O)CC1 ZINC001608146051 1069373096 /nfs/dbraw/zinc/37/30/96/1069373096.db2.gz GYNQMBZPGUBKJB-MRXNPFEDSA-N 1 2 478.641 -0.424 20 0 JBADLO CC(C)N1CCO[C@@H](C[NH+]2CCN(c3nnc([C@H]4CCCO4)n3CCNS(C)(=O)=O)CC2)C1 ZINC001608158660 1069373574 /nfs/dbraw/zinc/37/35/74/1069373574.db2.gz KHLWGJDAIOBJLM-RBUKOAKNSA-N 1 2 485.655 -0.090 20 0 JBADLO CC(C)N1CCO[C@H](C[NH+]2CCN(c3nnc([C@H]4CCCO4)n3CCNS(C)(=O)=O)CC2)C1 ZINC001608158706 1069373672 /nfs/dbraw/zinc/37/36/72/1069373672.db2.gz KHLWGJDAIOBJLM-RTBURBONSA-N 1 2 485.655 -0.090 20 0 JBADLO CC(C)N1CCO[C@@H](C[NH+]2CCN(c3nnc([C@H]4CCOC4)n3CCCNS(C)(=O)=O)CC2)C1 ZINC001608160104 1069373801 /nfs/dbraw/zinc/37/38/01/1069373801.db2.gz XZGFGLCEGGGUPE-PMACEKPBSA-N 1 2 499.682 -0.048 20 0 JBADLO CC(C)N1CCO[C@@H](C[NH+]2CCN(c3nnc([C@@H]4CCOC4)n3CCCNS(C)(=O)=O)CC2)C1 ZINC001608160214 1069373782 /nfs/dbraw/zinc/37/37/82/1069373782.db2.gz XZGFGLCEGGGUPE-UXHICEINSA-N 1 2 499.682 -0.048 20 0 JBADLO CC(C)N1CCO[C@H](C[NH+]2CCN(c3nnc([C@H]4CCOC4)n3CCCNS(C)(=O)=O)CC2)C1 ZINC001608160215 1069373516 /nfs/dbraw/zinc/37/35/16/1069373516.db2.gz XZGFGLCEGGGUPE-VQTJNVASSA-N 1 2 499.682 -0.048 20 0 JBADLO CC(C)N1CCO[C@H](C[NH+]2CCN(c3nnc([C@@H]4CCOC4)n3CCCNS(C)(=O)=O)CC2)C1 ZINC001608160216 1069373388 /nfs/dbraw/zinc/37/33/88/1069373388.db2.gz XZGFGLCEGGGUPE-WOJBJXKFSA-N 1 2 499.682 -0.048 20 0 JBADLO CC(C)NC(=O)C(=O)N1CCN(c2nnc(C(=O)NC(C)C)n2CC[N@H+]2CCOCC2(C)C)CC1 ZINC001608166744 1069374203 /nfs/dbraw/zinc/37/42/03/1069374203.db2.gz DICHXGNIWFNERJ-UHFFFAOYSA-N 1 2 492.625 -0.300 20 0 JBADLO 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JBADLO CC(C)NC(=O)C(=O)N1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[N@H+]2CCOC[C@@H]2C)CC1 ZINC001608178855 1069376385 /nfs/dbraw/zinc/37/63/85/1069376385.db2.gz YLMRMOATRYIMND-IRXDYDNUSA-N 1 2 476.582 -0.877 20 0 JBADLO CC(C)NC(=O)C(=O)N1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC001608178855 1069376380 /nfs/dbraw/zinc/37/63/80/1069376380.db2.gz YLMRMOATRYIMND-IRXDYDNUSA-N 1 2 476.582 -0.877 20 0 JBADLO CC(C)NC(=O)C(=O)N1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[N@H+]2CCOC[C@H]2C)CC1 ZINC001608178856 1069376450 /nfs/dbraw/zinc/37/64/50/1069376450.db2.gz YLMRMOATRYIMND-SJORKVTESA-N 1 2 476.582 -0.877 20 0 JBADLO CC(C)NC(=O)C(=O)N1CCN(c2nnc([C@@H]3CCC(=O)N3)n2CC[N@@H+]2CCOC[C@H]2C)CC1 ZINC001608178856 1069376446 /nfs/dbraw/zinc/37/64/46/1069376446.db2.gz YLMRMOATRYIMND-SJORKVTESA-N 1 2 476.582 -0.877 20 0 JBADLO CC(C)NC(=O)c1nnc(N(C)CC(=O)N2CCOCC2)n1CC[N@H+]1CCOCC1(C)C ZINC001608212934 1069377491 /nfs/dbraw/zinc/37/74/91/1069377491.db2.gz OBBNPVUZYZHYPF-UHFFFAOYSA-N 1 2 451.572 -0.178 20 0 JBADLO CC(C)NC(=O)c1nnc(N(C)CC(=O)N2CCOCC2)n1CC[N@@H+]1CCOCC1(C)C ZINC001608212934 1069377480 /nfs/dbraw/zinc/37/74/80/1069377480.db2.gz OBBNPVUZYZHYPF-UHFFFAOYSA-N 1 2 451.572 -0.178 20 0 JBADLO CC(C)NC(=O)c1nnc(N(C)CC[NH+]2CCOCC2)n1CCS(=O)(=O)N1CCSCC1 ZINC001608290348 1069377546 /nfs/dbraw/zinc/37/75/46/1069377546.db2.gz HEXXQYIGNZLBIV-UHFFFAOYSA-N 1 2 489.668 -0.437 20 0 JBADLO CC(C)NC(=O)c1nnc(N(C)CC[NH+]2CCOCC2)n1CC1(O)CCS(=O)(=O)CC1 ZINC001608290701 1069377725 /nfs/dbraw/zinc/37/77/25/1069377725.db2.gz MSZDROYEPAANGT-UHFFFAOYSA-N 1 2 458.585 -0.876 20 0 JBADLO CC(C)NC(=O)c1nnc(N(C)CCNS(C)(=O)=O)n1Cc1ccc(N2CCOCC2)[nH+]c1 ZINC001608291180 1069377664 /nfs/dbraw/zinc/37/76/64/1069377664.db2.gz XWOHQFKFENCTJC-UHFFFAOYSA-N 1 2 480.595 -0.318 20 0 JBADLO CC(C)NC(=O)c1nnc(N2CCC(OCC(N)=O)CC2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001608437663 1069378363 /nfs/dbraw/zinc/37/83/63/1069378363.db2.gz KXDBVIWQPZSFJP-UHFFFAOYSA-N 1 2 451.572 -0.002 20 0 JBADLO CC(C)NC(=O)c1nnc(N2CCC(OCC(N)=O)CC2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001608437663 1069378361 /nfs/dbraw/zinc/37/83/61/1069378361.db2.gz KXDBVIWQPZSFJP-UHFFFAOYSA-N 1 2 451.572 -0.002 20 0 JBADLO CC(C)NC(=O)c1nnc(N2CCN(C)C(=O)C2)n1C[C@@]1([NH+]2CCOCC2)CCSC1 ZINC001608552409 1069380953 /nfs/dbraw/zinc/38/09/53/1069380953.db2.gz UABBONPRGXRYKX-FQEVSTJZSA-N 1 2 451.597 -0.097 20 0 JBADLO CC(C)NC(=O)c1nnc(N2CCN(C)C(=O)C2)n1C[C@]1([NH+]2CCOCC2)CCSC1 ZINC001608552411 1069380770 /nfs/dbraw/zinc/38/07/70/1069380770.db2.gz UABBONPRGXRYKX-HXUWFJFHSA-N 1 2 451.597 -0.097 20 0 JBADLO CC(C)NC(=O)CN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1CC1([NH+]2CCOCC2)CC1 ZINC001609913982 1069384192 /nfs/dbraw/zinc/38/41/92/1069384192.db2.gz DYGDPRYWXBLIIM-HNNXBMFYSA-N 1 2 457.601 -0.286 20 0 JBADLO CC(C)NC(=O)CN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1CC1([NH+]2CCOCC2)CC1 ZINC001609914007 1069384235 /nfs/dbraw/zinc/38/42/35/1069384235.db2.gz DYGDPRYWXBLIIM-OAHLLOKOSA-N 1 2 457.601 -0.286 20 0 JBADLO CC(C)NC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001610077943 1069385415 /nfs/dbraw/zinc/38/54/15/1069385415.db2.gz HJFNOZQAOINXJB-DLBZAZTESA-N 1 2 460.583 -0.113 20 0 JBADLO CC(C)NC(=O)Cn1c([C@H]2CCC(=O)N2)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001610077944 1069385512 /nfs/dbraw/zinc/38/55/12/1069385512.db2.gz HJFNOZQAOINXJB-IAGOWNOFSA-N 1 2 460.583 -0.113 20 0 JBADLO CC(C)NC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[NH+]([C@@H](C)C(=O)N2CCCC2)CC1 ZINC001610077945 1069385269 /nfs/dbraw/zinc/38/52/69/1069385269.db2.gz HJFNOZQAOINXJB-IRXDYDNUSA-N 1 2 460.583 -0.113 20 0 JBADLO CC(C)NC(=O)Cn1c([C@@H]2CCC(=O)N2)nnc1N1CC[NH+]([C@H](C)C(=O)N2CCCC2)CC1 ZINC001610077946 1069385325 /nfs/dbraw/zinc/38/53/25/1069385325.db2.gz HJFNOZQAOINXJB-SJORKVTESA-N 1 2 460.583 -0.113 20 0 JBADLO CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)CN3C(=O)C(=O)N(C)C3=O)cc2)CC1 ZINC001611257564 1069393135 /nfs/dbraw/zinc/39/31/35/1069393135.db2.gz PQYDITPCMYBONR-UHFFFAOYSA-N 1 2 459.503 -0.691 20 0 JBADLO NS(=O)(=O)c1ccc(S(=O)(=O)N2CCC(C(=O)N3CCn4c[nH+]cc4C3)CC2)cc1 ZINC001611424520 1069394281 /nfs/dbraw/zinc/39/42/81/1069394281.db2.gz WLGLSYHGWLUVES-UHFFFAOYSA-N 1 2 453.546 -0.026 20 0 JBADLO C[C@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC(N)=O)CC1)[NH+]1CCOCC1 ZINC001611585030 1069395153 /nfs/dbraw/zinc/39/51/53/1069395153.db2.gz QEGSWXBGQUOOIK-AEFFLSMTSA-N 1 2 499.638 -0.577 20 0 JBADLO C[C@@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC(N)=O)CC1)[NH+]1CCOCC1 ZINC001611585031 1069395464 /nfs/dbraw/zinc/39/54/64/1069395464.db2.gz QEGSWXBGQUOOIK-FUHWJXTLSA-N 1 2 499.638 -0.577 20 0 JBADLO C[C@H](Cn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC(N)=O)CC1)[NH+]1CCOCC1 ZINC001611585032 1069395571 /nfs/dbraw/zinc/39/55/71/1069395571.db2.gz QEGSWXBGQUOOIK-SJLPKXTDSA-N 1 2 499.638 -0.577 20 0 JBADLO C[C@@H](Cn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCC(CC(N)=O)CC1)[NH+]1CCOCC1 ZINC001611585033 1069395277 /nfs/dbraw/zinc/39/52/77/1069395277.db2.gz QEGSWXBGQUOOIK-WMZOPIPTSA-N 1 2 499.638 -0.577 20 0 JBADLO C[C@@H](Cn1c(CN2CCCC2=O)nnc1N1CCC(N(C)S(C)(=O)=O)CC1)[NH+]1CCOCC1 ZINC001611598855 1069396012 /nfs/dbraw/zinc/39/60/12/1069396012.db2.gz FCIPQUOKRKQQKS-KRWDZBQOSA-N 1 2 483.639 -0.019 20 0 JBADLO C[C@H](Cn1c(CN2CCCC2=O)nnc1N1CCC(N(C)S(C)(=O)=O)CC1)[NH+]1CCOCC1 ZINC001611598856 1069395947 /nfs/dbraw/zinc/39/59/47/1069395947.db2.gz FCIPQUOKRKQQKS-QGZVFWFLSA-N 1 2 483.639 -0.019 20 0 JBADLO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)CCS(C)(=O)=O)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001611671566 1069399157 /nfs/dbraw/zinc/39/91/57/1069399157.db2.gz ANQKHGOGYUECPX-CYBMUJFWSA-N 1 2 459.598 -0.122 20 0 JBADLO C[C@H](NS(C)(=O)=O)c1nnc(N(C)CCS(C)(=O)=O)n1Cc1ccc(N(C)C)[nH+]c1 ZINC001611671567 1069399427 /nfs/dbraw/zinc/39/94/27/1069399427.db2.gz ANQKHGOGYUECPX-ZDUSSCGKSA-N 1 2 459.598 -0.122 20 0 JBADLO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)CCN2CCOCC2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001611671628 1069399998 /nfs/dbraw/zinc/39/99/98/1069399998.db2.gz BSDCIPMZTKIIJZ-DLBZAZTESA-N 1 2 459.617 -0.623 20 0 JBADLO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)CCN2CCOCC2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001611671628 1069399987 /nfs/dbraw/zinc/39/99/87/1069399987.db2.gz BSDCIPMZTKIIJZ-DLBZAZTESA-N 1 2 459.617 -0.623 20 0 JBADLO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)CCN2CCOCC2)n1CC[N@H+]1CCOC[C@H]1C ZINC001611671629 1069399707 /nfs/dbraw/zinc/39/97/07/1069399707.db2.gz BSDCIPMZTKIIJZ-IAGOWNOFSA-N 1 2 459.617 -0.623 20 0 JBADLO C[C@@H](NS(C)(=O)=O)c1nnc(N(C)CCN2CCOCC2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001611671629 1069399700 /nfs/dbraw/zinc/39/97/00/1069399700.db2.gz BSDCIPMZTKIIJZ-IAGOWNOFSA-N 1 2 459.617 -0.623 20 0 JBADLO C[C@H](NS(C)(=O)=O)c1nnc(N(C)CCN2CCOCC2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001611671630 1069399797 /nfs/dbraw/zinc/39/97/97/1069399797.db2.gz BSDCIPMZTKIIJZ-IRXDYDNUSA-N 1 2 459.617 -0.623 20 0 JBADLO C[C@H](NS(C)(=O)=O)c1nnc(N(C)CCN2CCOCC2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001611671630 1069399787 /nfs/dbraw/zinc/39/97/87/1069399787.db2.gz BSDCIPMZTKIIJZ-IRXDYDNUSA-N 1 2 459.617 -0.623 20 0 JBADLO C[C@H](NS(C)(=O)=O)c1nnc(N(C)CCN2CCOCC2)n1CC[N@H+]1CCOC[C@H]1C ZINC001611671631 1069399919 /nfs/dbraw/zinc/39/99/19/1069399919.db2.gz BSDCIPMZTKIIJZ-SJORKVTESA-N 1 2 459.617 -0.623 20 0 JBADLO C[C@H](NS(C)(=O)=O)c1nnc(N(C)CCN2CCOCC2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001611671631 1069399909 /nfs/dbraw/zinc/39/99/09/1069399909.db2.gz BSDCIPMZTKIIJZ-SJORKVTESA-N 1 2 459.617 -0.623 20 0 JBADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CCC(CC(N)=O)CC2)n1CC1([NH+]2CCOCC2)CC1 ZINC001611685305 1069404181 /nfs/dbraw/zinc/40/41/81/1069404181.db2.gz YZQFAGVXQDBOFU-HNNXBMFYSA-N 1 2 469.612 -0.155 20 0 JBADLO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCC(CC(N)=O)CC2)n1CC1([NH+]2CCOCC2)CC1 ZINC001611685306 1069404261 /nfs/dbraw/zinc/40/42/61/1069404261.db2.gz YZQFAGVXQDBOFU-OAHLLOKOSA-N 1 2 469.612 -0.155 20 0 JBADLO C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@]2(CNC(=O)C2)C1)[NH+]1CCOCC1 ZINC001611691558 1069407369 /nfs/dbraw/zinc/40/73/69/1069407369.db2.gz BECHODNUGRRHBC-DOXZYTNZSA-N 1 2 455.585 -0.675 20 0 JBADLO C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@]2(CNC(=O)C2)C1)[NH+]1CCOCC1 ZINC001611691559 1069407413 /nfs/dbraw/zinc/40/74/13/1069407413.db2.gz BECHODNUGRRHBC-VCBZYWHSSA-N 1 2 455.585 -0.675 20 0 JBADLO C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@]2(CNC(=O)C2)C1)[NH+]1CCOCC1 ZINC001611691560 1069407365 /nfs/dbraw/zinc/40/73/65/1069407365.db2.gz BECHODNUGRRHBC-YZVOILCLSA-N 1 2 455.585 -0.675 20 0 JBADLO C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CC[C@@]2(CNC(=O)C2)C1)[NH+]1CCOCC1 ZINC001611691561 1069407399 /nfs/dbraw/zinc/40/73/99/1069407399.db2.gz BECHODNUGRRHBC-ZRGWGRIASA-N 1 2 455.585 -0.675 20 0 JBADLO C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(S(C)(=O)=O)CC1)[NH+]1CCOCC1 ZINC001611702491 1069410730 /nfs/dbraw/zinc/41/07/30/1069410730.db2.gz BWKXEUHFEBJWER-CVEARBPZSA-N 1 2 493.656 -0.919 20 0 JBADLO C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCCN(S(C)(=O)=O)CC1)[NH+]1CCOCC1 ZINC001611702492 1069410667 /nfs/dbraw/zinc/41/06/67/1069410667.db2.gz BWKXEUHFEBJWER-HOTGVXAUSA-N 1 2 493.656 -0.919 20 0 JBADLO C[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCCN(S(C)(=O)=O)CC1)[NH+]1CCOCC1 ZINC001611702493 1069410280 /nfs/dbraw/zinc/41/02/80/1069410280.db2.gz BWKXEUHFEBJWER-HZPDHXFCSA-N 1 2 493.656 -0.919 20 0 JBADLO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCCN(S(C)(=O)=O)CC2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001611702494 1069410377 /nfs/dbraw/zinc/41/03/77/1069410377.db2.gz BWKXEUHFEBJWER-JKSUJKDBSA-N 1 2 493.656 -0.919 20 0 JBADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CCCN(S(C)(=O)=O)CC2)n1CC[N@H+]1CCOC[C@H]1C ZINC001611702599 1069410358 /nfs/dbraw/zinc/41/03/58/1069410358.db2.gz FEJMWGWUYWRROZ-CVEARBPZSA-N 1 2 493.656 -0.919 20 0 JBADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CCCN(S(C)(=O)=O)CC2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001611702599 1069410349 /nfs/dbraw/zinc/41/03/49/1069410349.db2.gz FEJMWGWUYWRROZ-CVEARBPZSA-N 1 2 493.656 -0.919 20 0 JBADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CCCN(S(C)(=O)=O)CC2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001611702600 1069410527 /nfs/dbraw/zinc/41/05/27/1069410527.db2.gz FEJMWGWUYWRROZ-HOTGVXAUSA-N 1 2 493.656 -0.919 20 0 JBADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CCCN(S(C)(=O)=O)CC2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001611702600 1069410516 /nfs/dbraw/zinc/41/05/16/1069410516.db2.gz FEJMWGWUYWRROZ-HOTGVXAUSA-N 1 2 493.656 -0.919 20 0 JBADLO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCCN(S(C)(=O)=O)CC2)n1CC[N@H+]1CCOC[C@H]1C ZINC001611702601 1069411083 /nfs/dbraw/zinc/41/10/83/1069411083.db2.gz FEJMWGWUYWRROZ-HZPDHXFCSA-N 1 2 493.656 -0.919 20 0 JBADLO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCCN(S(C)(=O)=O)CC2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001611702601 1069411079 /nfs/dbraw/zinc/41/10/79/1069411079.db2.gz FEJMWGWUYWRROZ-HZPDHXFCSA-N 1 2 493.656 -0.919 20 0 JBADLO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCCN(S(C)(=O)=O)CC2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001611702602 1069410611 /nfs/dbraw/zinc/41/06/11/1069410611.db2.gz FEJMWGWUYWRROZ-JKSUJKDBSA-N 1 2 493.656 -0.919 20 0 JBADLO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCCN(S(C)(=O)=O)CC2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001611702602 1069410601 /nfs/dbraw/zinc/41/06/01/1069410601.db2.gz FEJMWGWUYWRROZ-JKSUJKDBSA-N 1 2 493.656 -0.919 20 0 JBADLO C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1)[NH+]1CCOCC1 ZINC001611703267 1069412474 /nfs/dbraw/zinc/41/24/74/1069412474.db2.gz RJXOQZZZQBSNSV-BZSNNMDCSA-N 1 2 499.638 -0.563 20 0 JBADLO C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1)[NH+]1CCOCC1 ZINC001611703268 1069412523 /nfs/dbraw/zinc/41/25/23/1069412523.db2.gz RJXOQZZZQBSNSV-FGTMMUONSA-N 1 2 499.638 -0.563 20 0 JBADLO C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)[C@H]2CCCO2)CC1)[NH+]1CCOCC1 ZINC001611703269 1069412372 /nfs/dbraw/zinc/41/23/72/1069412372.db2.gz RJXOQZZZQBSNSV-OKZBNKHCSA-N 1 2 499.638 -0.563 20 0 JBADLO C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C(=O)[C@@H]2CCCO2)CC1)[NH+]1CCOCC1 ZINC001611703270 1069412358 /nfs/dbraw/zinc/41/23/58/1069412358.db2.gz RJXOQZZZQBSNSV-SQNIBIBYSA-N 1 2 499.638 -0.563 20 0 JBADLO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C)C(=O)[C@@H]2C)n1CC1([NH+]2CCOCC2)CC1 ZINC001611705107 1069414520 /nfs/dbraw/zinc/41/45/20/1069414520.db2.gz NHYLXUUEBOXXQT-CABCVRRESA-N 1 2 455.585 -0.580 20 0 JBADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C)C(=O)[C@@H]2C)n1CC1([NH+]2CCOCC2)CC1 ZINC001611705108 1069414715 /nfs/dbraw/zinc/41/47/15/1069414715.db2.gz NHYLXUUEBOXXQT-GJZGRUSLSA-N 1 2 455.585 -0.580 20 0 JBADLO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C)C(=O)[C@H]2C)n1CC1([NH+]2CCOCC2)CC1 ZINC001611705109 1069414631 /nfs/dbraw/zinc/41/46/31/1069414631.db2.gz NHYLXUUEBOXXQT-HUUCEWRRSA-N 1 2 455.585 -0.580 20 0 JBADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CCN(C)C(=O)[C@H]2C)n1CC1([NH+]2CCOCC2)CC1 ZINC001611705110 1069414583 /nfs/dbraw/zinc/41/45/83/1069414583.db2.gz NHYLXUUEBOXXQT-LSDHHAIUSA-N 1 2 455.585 -0.580 20 0 JBADLO C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)C(=O)C1)[NH+]1CCOCC1 ZINC001611706961 1069415844 /nfs/dbraw/zinc/41/58/44/1069415844.db2.gz IOQIPEYCTXHRQQ-CABCVRRESA-N 1 2 455.585 -0.580 20 0 JBADLO C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)C(=O)C1)[NH+]1CCOCC1 ZINC001611706962 1069415916 /nfs/dbraw/zinc/41/59/16/1069415916.db2.gz IOQIPEYCTXHRQQ-GJZGRUSLSA-N 1 2 455.585 -0.580 20 0 JBADLO C[C@H](Cn1c([C@@H](C)NS(C)(=O)=O)nnc1N1CCN(C2CC2)C(=O)C1)[NH+]1CCOCC1 ZINC001611706963 1069415822 /nfs/dbraw/zinc/41/58/22/1069415822.db2.gz IOQIPEYCTXHRQQ-HUUCEWRRSA-N 1 2 455.585 -0.580 20 0 JBADLO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCN(C3CC3)C(=O)C2)n1C[C@H](C)[NH+]1CCOCC1 ZINC001611706964 1069415830 /nfs/dbraw/zinc/41/58/30/1069415830.db2.gz IOQIPEYCTXHRQQ-LSDHHAIUSA-N 1 2 455.585 -0.580 20 0 JBADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CCNC(=O)C2)n1Cc1ccc[nH+]c1N1CCOCC1 ZINC001611710489 1069421888 /nfs/dbraw/zinc/42/18/88/1069421888.db2.gz AVDBBCCIAJVELL-AWEZNQCLSA-N 1 2 464.552 -0.896 20 0 JBADLO C[C@@H](NS(C)(=O)=O)c1nnc(N2CCNC(=O)C2)n1Cc1ccc[nH+]c1N1CCOCC1 ZINC001611710490 1069421824 /nfs/dbraw/zinc/42/18/24/1069421824.db2.gz AVDBBCCIAJVELL-CQSZACIVSA-N 1 2 464.552 -0.896 20 0 JBADLO C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)OC[C@]2(C)C1)[NH+]1CCOCC1 ZINC001611711727 1069424780 /nfs/dbraw/zinc/42/47/80/1069424780.db2.gz SFPGDXYKTOGEGJ-DOXZYTNZSA-N 1 2 471.584 -0.360 20 0 JBADLO C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)OC[C@]2(C)C1)[NH+]1CCOCC1 ZINC001611711728 1069424675 /nfs/dbraw/zinc/42/46/75/1069424675.db2.gz SFPGDXYKTOGEGJ-VCBZYWHSSA-N 1 2 471.584 -0.360 20 0 JBADLO C[C@@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)OC[C@@]2(C)C1)[NH+]1CCOCC1 ZINC001611711729 1069424792 /nfs/dbraw/zinc/42/47/92/1069424792.db2.gz SFPGDXYKTOGEGJ-YZVOILCLSA-N 1 2 471.584 -0.360 20 0 JBADLO C[C@H](Cn1c([C@H](C)NS(C)(=O)=O)nnc1N1CCN2C(=O)OC[C@@]2(C)C1)[NH+]1CCOCC1 ZINC001611711730 1069424805 /nfs/dbraw/zinc/42/48/05/1069424805.db2.gz SFPGDXYKTOGEGJ-ZRGWGRIASA-N 1 2 471.584 -0.360 20 0 JBADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@]3(CCOC3)C2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001611716384 1069426941 /nfs/dbraw/zinc/42/69/41/1069426941.db2.gz VXJGHAMTJYZSEZ-BXWFABGCSA-N 1 2 458.585 -0.395 20 0 JBADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@]3(CCOC3)C2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001611716384 1069426935 /nfs/dbraw/zinc/42/69/35/1069426935.db2.gz VXJGHAMTJYZSEZ-BXWFABGCSA-N 1 2 458.585 -0.395 20 0 JBADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@]3(CCOC3)C2)n1CC[N@H+]1CCOC[C@H]1C ZINC001611716385 1069427150 /nfs/dbraw/zinc/42/71/50/1069427150.db2.gz VXJGHAMTJYZSEZ-GJYPPUQNSA-N 1 2 458.585 -0.395 20 0 JBADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@@]3(CCOC3)C2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001611716385 1069427141 /nfs/dbraw/zinc/42/71/41/1069427141.db2.gz VXJGHAMTJYZSEZ-GJYPPUQNSA-N 1 2 458.585 -0.395 20 0 JBADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@]3(CCOC3)C2)n1CC[N@H+]1CCOC[C@H]1C ZINC001611716386 1069427234 /nfs/dbraw/zinc/42/72/34/1069427234.db2.gz VXJGHAMTJYZSEZ-JTDSTZFVSA-N 1 2 458.585 -0.395 20 0 JBADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@]3(CCOC3)C2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001611716386 1069427232 /nfs/dbraw/zinc/42/72/32/1069427232.db2.gz VXJGHAMTJYZSEZ-JTDSTZFVSA-N 1 2 458.585 -0.395 20 0 JBADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@]3(CCOC3)C2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001611716387 1069427030 /nfs/dbraw/zinc/42/70/30/1069427030.db2.gz VXJGHAMTJYZSEZ-TXPKVOOTSA-N 1 2 458.585 -0.395 20 0 JBADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CCO[C@]3(CCOC3)C2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001611716387 1069427019 /nfs/dbraw/zinc/42/70/19/1069427019.db2.gz VXJGHAMTJYZSEZ-TXPKVOOTSA-N 1 2 458.585 -0.395 20 0 JBADLO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H]3NC(=O)OC[C@H]3C2)n1CC[N@H+]1CCOC[C@H]1C ZINC001611717126 1069427706 /nfs/dbraw/zinc/42/77/06/1069427706.db2.gz KAJHIUJOJBBAEE-FPCVCCKLSA-N 1 2 471.584 -0.456 20 0 JBADLO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H]3NC(=O)OC[C@H]3C2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001611717126 1069427701 /nfs/dbraw/zinc/42/77/01/1069427701.db2.gz KAJHIUJOJBBAEE-FPCVCCKLSA-N 1 2 471.584 -0.456 20 0 JBADLO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H]3NC(=O)OC[C@H]3C2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001611717127 1069427832 /nfs/dbraw/zinc/42/78/32/1069427832.db2.gz KAJHIUJOJBBAEE-JJXSEGSLSA-N 1 2 471.584 -0.456 20 0 JBADLO C[C@@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H]3NC(=O)OC[C@H]3C2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001611717127 1069427828 /nfs/dbraw/zinc/42/78/28/1069427828.db2.gz KAJHIUJOJBBAEE-JJXSEGSLSA-N 1 2 471.584 -0.456 20 0 JBADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H]3NC(=O)OC[C@H]3C2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001611717128 1069427633 /nfs/dbraw/zinc/42/76/33/1069427633.db2.gz KAJHIUJOJBBAEE-JONQDZQNSA-N 1 2 471.584 -0.456 20 0 JBADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H]3NC(=O)OC[C@H]3C2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001611717128 1069427630 /nfs/dbraw/zinc/42/76/30/1069427630.db2.gz KAJHIUJOJBBAEE-JONQDZQNSA-N 1 2 471.584 -0.456 20 0 JBADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H]3NC(=O)OC[C@H]3C2)n1CC[N@H+]1CCOC[C@H]1C ZINC001611717129 1069427756 /nfs/dbraw/zinc/42/77/56/1069427756.db2.gz KAJHIUJOJBBAEE-QXSJWSMHSA-N 1 2 471.584 -0.456 20 0 JBADLO C[C@H](NS(C)(=O)=O)c1nnc(N2CC[C@@H]3NC(=O)OC[C@H]3C2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001611717129 1069427747 /nfs/dbraw/zinc/42/77/47/1069427747.db2.gz KAJHIUJOJBBAEE-QXSJWSMHSA-N 1 2 471.584 -0.456 20 0 JBADLO Cc1cccc(-c2nnc(N3CC[NH+]([C@@H](C)C(=O)NC4CC4)CC3)n2CCNS(C)(=O)=O)n1 ZINC001612209774 1069432653 /nfs/dbraw/zinc/43/26/53/1069432653.db2.gz SBTWYUTVAYPEJX-INIZCTEOSA-N 1 2 476.607 -0.013 20 0 JBADLO Cc1cccc(-c2nnc(N3CC[NH+]([C@H](C)C(=O)NC4CC4)CC3)n2CCNS(C)(=O)=O)n1 ZINC001612209775 1069432785 /nfs/dbraw/zinc/43/27/85/1069432785.db2.gz SBTWYUTVAYPEJX-MRXNPFEDSA-N 1 2 476.607 -0.013 20 0 JBADLO Cc1cccc(-c2nnc(N3CC[NH+](CC(=O)N4CCCC4)CC3)n2CCNS(C)(=O)=O)n1 ZINC001612210407 1069432835 /nfs/dbraw/zinc/43/28/35/1069432835.db2.gz PFYUDGMICBLLPM-UHFFFAOYSA-N 1 2 476.607 -0.058 20 0 JBADLO Cc1nnc(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[NH+](C[C@H]3CCOC3)CC2)[nH]1 ZINC001612419294 1069434694 /nfs/dbraw/zinc/43/46/94/1069434694.db2.gz WTIWYJLSLBTPSJ-GDBMZVCRSA-N 1 2 467.600 -0.284 20 0 JBADLO Cc1nnc(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[NH+](C[C@H]3CCOC3)CC2)[nH]1 ZINC001612419295 1069434577 /nfs/dbraw/zinc/43/45/77/1069434577.db2.gz WTIWYJLSLBTPSJ-GOEBONIOSA-N 1 2 467.600 -0.284 20 0 JBADLO Cc1nnc(CCn2c([C@H](C)NS(C)(=O)=O)nnc2N2CC[NH+](C[C@@H]3CCOC3)CC2)[nH]1 ZINC001612419296 1069434500 /nfs/dbraw/zinc/43/45/00/1069434500.db2.gz WTIWYJLSLBTPSJ-HOCLYGCPSA-N 1 2 467.600 -0.284 20 0 JBADLO Cc1nnc(CCn2c([C@@H](C)NS(C)(=O)=O)nnc2N2CC[NH+](C[C@@H]3CCOC3)CC2)[nH]1 ZINC001612419297 1069434634 /nfs/dbraw/zinc/43/46/34/1069434634.db2.gz WTIWYJLSLBTPSJ-ZBFHGGJFSA-N 1 2 467.600 -0.284 20 0 JBADLO Cc1nc(N2CCN(c3nnc(C(=O)NC(C)C)n3CCNS(C)(=O)=O)CC2)cc[nH+]1 ZINC001612439349 1069435110 /nfs/dbraw/zinc/43/51/10/1069435110.db2.gz QSPCHJSBODQFAR-UHFFFAOYSA-N 1 2 451.557 -0.609 20 0 JBADLO Cc1nc(N2CCN(c3nnc([C@@H]4CCC(=O)N4)n3CCS(=O)(=O)N(C)C)CC2)cc[nH+]1 ZINC001612439994 1069435236 /nfs/dbraw/zinc/43/52/36/1069435236.db2.gz SFGIWTFKSSTDOR-HNNXBMFYSA-N 1 2 463.568 -0.454 20 0 JBADLO Cc1nc(N2CCN(c3nnc([C@H]4CCC(=O)N4)n3CCS(=O)(=O)N(C)C)CC2)cc[nH+]1 ZINC001612439995 1069435197 /nfs/dbraw/zinc/43/51/97/1069435197.db2.gz SFGIWTFKSSTDOR-OAHLLOKOSA-N 1 2 463.568 -0.454 20 0 JBADLO Cc1nc(N2CCN(c3nnc([C@@H](C)NS(C)(=O)=O)n3CC(=O)NCC(F)F)CC2)cc[nH+]1 ZINC001612440164 1069435176 /nfs/dbraw/zinc/43/51/76/1069435176.db2.gz YVUSPVTYNFCEAH-GFCCVEGCSA-N 1 2 487.537 -0.305 20 0 JBADLO Cc1nc(N2CCN(c3nnc([C@H](C)NS(C)(=O)=O)n3CC(=O)NCC(F)F)CC2)cc[nH+]1 ZINC001612440165 1069435249 /nfs/dbraw/zinc/43/52/49/1069435249.db2.gz YVUSPVTYNFCEAH-LBPRGKRZSA-N 1 2 487.537 -0.305 20 0 JBADLO Cc1nc(N2CCN(c3nnc([C@H](C)NS(C)(=O)=O)n3CCC(=O)N(C)C)CC2)cc[nH+]1 ZINC001612440179 1069435211 /nfs/dbraw/zinc/43/52/11/1069435211.db2.gz ZTMCJAREXIEBMV-AWEZNQCLSA-N 1 2 465.584 -0.208 20 0 JBADLO Cc1nc(N2CCN(c3nnc([C@@H](C)NS(C)(=O)=O)n3CCC(=O)N(C)C)CC2)cc[nH+]1 ZINC001612440180 1069435137 /nfs/dbraw/zinc/43/51/37/1069435137.db2.gz ZTMCJAREXIEBMV-CQSZACIVSA-N 1 2 465.584 -0.208 20 0 JBADLO Cc1cc(C[NH+]2CCN(c3nnc([C@@H](C)NS(C)(=O)=O)n3CC(=O)NCC(F)F)CC2)on1 ZINC001612648316 1069440303 /nfs/dbraw/zinc/44/03/03/1069440303.db2.gz GWSOWMJKVJTRCG-CYBMUJFWSA-N 1 2 490.537 -0.112 20 0 JBADLO Cc1cc(C[NH+]2CCN(c3nnc([C@H](C)NS(C)(=O)=O)n3CC(=O)NCC(F)F)CC2)on1 ZINC001612648318 1069440378 /nfs/dbraw/zinc/44/03/78/1069440378.db2.gz GWSOWMJKVJTRCG-ZDUSSCGKSA-N 1 2 490.537 -0.112 20 0 JBADLO Cc1cc(C[NH+]2CCN(c3nnc([C@@H]4CCC(=O)N4)n3CCS(=O)(=O)N(C)C)CC2)on1 ZINC001612649479 1069440320 /nfs/dbraw/zinc/44/03/20/1069440320.db2.gz ARFMDQYOBNVVAB-INIZCTEOSA-N 1 2 466.568 -0.261 20 0 JBADLO Cc1cc(C[NH+]2CCN(c3nnc([C@H]4CCC(=O)N4)n3CCS(=O)(=O)N(C)C)CC2)on1 ZINC001612649480 1069440399 /nfs/dbraw/zinc/44/03/99/1069440399.db2.gz ARFMDQYOBNVVAB-MRXNPFEDSA-N 1 2 466.568 -0.261 20 0 JBADLO Cc1cc(C[NH+]2CCN(c3nnc([C@@H]4CCC(=O)N4)n3CCCNS(C)(=O)=O)CC2)on1 ZINC001612650042 1069440262 /nfs/dbraw/zinc/44/02/62/1069440262.db2.gz MPVHZBQCEMFOJU-INIZCTEOSA-N 1 2 466.568 -0.213 20 0 JBADLO Cc1cc(C[NH+]2CCN(c3nnc([C@H]4CCC(=O)N4)n3CCCNS(C)(=O)=O)CC2)on1 ZINC001612650047 1069440229 /nfs/dbraw/zinc/44/02/29/1069440229.db2.gz MPVHZBQCEMFOJU-MRXNPFEDSA-N 1 2 466.568 -0.213 20 0 JBADLO Cc1cc(C[NH+]2CCN(c3nnc(CN4CCCC4=O)n3CCS(=O)(=O)N(C)C)CC2)on1 ZINC001612650837 1069440123 /nfs/dbraw/zinc/44/01/23/1069440123.db2.gz XXLSSEVEYFNWFF-UHFFFAOYSA-N 1 2 480.595 -0.089 20 0 JBADLO C[C@H]1CN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(N(C)C)[nH+]c2)CC(=O)N1C ZINC001612950480 1069447360 /nfs/dbraw/zinc/44/73/60/1069447360.db2.gz HINZJZXXUIPUOE-DOTOQJQBSA-N 1 2 492.606 -0.213 20 0 JBADLO C[C@@H]1CN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(N(C)C)[nH+]c2)CC(=O)N1C ZINC001612950484 1069447335 /nfs/dbraw/zinc/44/73/35/1069447335.db2.gz HINZJZXXUIPUOE-NVXWUHKLSA-N 1 2 492.606 -0.213 20 0 JBADLO C[C@H]1CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(N(C)C)[nH+]c2)CC(=O)N1C ZINC001612950486 1069447329 /nfs/dbraw/zinc/44/73/29/1069447329.db2.gz HINZJZXXUIPUOE-RDJZCZTQSA-N 1 2 492.606 -0.213 20 0 JBADLO C[C@@H]1CN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2Cc2ccc(N(C)C)[nH+]c2)CC(=O)N1C ZINC001612950488 1069447313 /nfs/dbraw/zinc/44/73/13/1069447313.db2.gz HINZJZXXUIPUOE-WBVHZDCISA-N 1 2 492.606 -0.213 20 0 JBADLO C[C@@H]1COCC[N@H+]1CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(NS(C)(=O)=O)CC1 ZINC001613010056 1069449644 /nfs/dbraw/zinc/44/96/44/1069449644.db2.gz GOFNIMJXPMTXST-GDBMZVCRSA-N 1 2 455.585 -0.532 20 0 JBADLO C[C@@H]1COCC[N@@H+]1CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(NS(C)(=O)=O)CC1 ZINC001613010056 1069449638 /nfs/dbraw/zinc/44/96/38/1069449638.db2.gz GOFNIMJXPMTXST-GDBMZVCRSA-N 1 2 455.585 -0.532 20 0 JBADLO C[C@H]1COCC[N@H+]1CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(NS(C)(=O)=O)CC1 ZINC001613010057 1069449464 /nfs/dbraw/zinc/44/94/64/1069449464.db2.gz GOFNIMJXPMTXST-GOEBONIOSA-N 1 2 455.585 -0.532 20 0 JBADLO C[C@H]1COCC[N@@H+]1CCn1c([C@H]2CCC(=O)N2)nnc1N1CCC(NS(C)(=O)=O)CC1 ZINC001613010057 1069449451 /nfs/dbraw/zinc/44/94/51/1069449451.db2.gz GOFNIMJXPMTXST-GOEBONIOSA-N 1 2 455.585 -0.532 20 0 JBADLO C[C@H]1COCC[N@H+]1CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(NS(C)(=O)=O)CC1 ZINC001613010058 1069449685 /nfs/dbraw/zinc/44/96/85/1069449685.db2.gz GOFNIMJXPMTXST-HOCLYGCPSA-N 1 2 455.585 -0.532 20 0 JBADLO C[C@H]1COCC[N@@H+]1CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(NS(C)(=O)=O)CC1 ZINC001613010058 1069449679 /nfs/dbraw/zinc/44/96/79/1069449679.db2.gz GOFNIMJXPMTXST-HOCLYGCPSA-N 1 2 455.585 -0.532 20 0 JBADLO C[C@@H]1COCC[N@H+]1CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(NS(C)(=O)=O)CC1 ZINC001613010059 1069449575 /nfs/dbraw/zinc/44/95/75/1069449575.db2.gz GOFNIMJXPMTXST-ZBFHGGJFSA-N 1 2 455.585 -0.532 20 0 JBADLO C[C@@H]1COCC[N@@H+]1CCn1c([C@@H]2CCC(=O)N2)nnc1N1CCC(NS(C)(=O)=O)CC1 ZINC001613010059 1069449570 /nfs/dbraw/zinc/44/95/70/1069449570.db2.gz GOFNIMJXPMTXST-ZBFHGGJFSA-N 1 2 455.585 -0.532 20 0 JBADLO C[C@@H]1COCC[N@H+]1CCn1c(N2CCN(C(=O)C(=O)N3CCOCC3)CC2)nnc1C(C)(C)C ZINC001613012446 1069449540 /nfs/dbraw/zinc/44/95/40/1069449540.db2.gz IHVDFHBZIHAHCO-GOSISDBHSA-N 1 2 477.610 -0.196 20 0 JBADLO C[C@@H]1COCC[N@@H+]1CCn1c(N2CCN(C(=O)C(=O)N3CCOCC3)CC2)nnc1C(C)(C)C ZINC001613012446 1069449531 /nfs/dbraw/zinc/44/95/31/1069449531.db2.gz IHVDFHBZIHAHCO-GOSISDBHSA-N 1 2 477.610 -0.196 20 0 JBADLO C[C@H]1COCC[N@H+]1CCn1c(N2CCN(C(=O)C(=O)N3CCOCC3)CC2)nnc1C(C)(C)C ZINC001613012447 1069449823 /nfs/dbraw/zinc/44/98/23/1069449823.db2.gz IHVDFHBZIHAHCO-SFHVURJKSA-N 1 2 477.610 -0.196 20 0 JBADLO C[C@H]1COCC[N@@H+]1CCn1c(N2CCN(C(=O)C(=O)N3CCOCC3)CC2)nnc1C(C)(C)C ZINC001613012447 1069449815 /nfs/dbraw/zinc/44/98/15/1069449815.db2.gz IHVDFHBZIHAHCO-SFHVURJKSA-N 1 2 477.610 -0.196 20 0 JBADLO C[C@@H]1COCC[N@H+]1CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H]1CCOC1 ZINC001613012848 1069449875 /nfs/dbraw/zinc/44/98/75/1069449875.db2.gz QKXVMOCDOQMGSP-FGTMMUONSA-N 1 2 472.612 -0.196 20 0 JBADLO C[C@@H]1COCC[N@@H+]1CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H]1CCOC1 ZINC001613012848 1069449865 /nfs/dbraw/zinc/44/98/65/1069449865.db2.gz QKXVMOCDOQMGSP-FGTMMUONSA-N 1 2 472.612 -0.196 20 0 JBADLO C[C@@H]1COCC[N@H+]1CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H]1CCOC1 ZINC001613012849 1069450270 /nfs/dbraw/zinc/45/02/70/1069450270.db2.gz QKXVMOCDOQMGSP-KURKYZTESA-N 1 2 472.612 -0.196 20 0 JBADLO C[C@@H]1COCC[N@@H+]1CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H]1CCOC1 ZINC001613012849 1069450262 /nfs/dbraw/zinc/45/02/62/1069450262.db2.gz QKXVMOCDOQMGSP-KURKYZTESA-N 1 2 472.612 -0.196 20 0 JBADLO C[C@@H]1COCC[N@H+]1CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H]1CCOC1 ZINC001613012850 1069450231 /nfs/dbraw/zinc/45/02/31/1069450231.db2.gz QKXVMOCDOQMGSP-KZNAEPCWSA-N 1 2 472.612 -0.196 20 0 JBADLO C[C@@H]1COCC[N@@H+]1CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@H]1CCOC1 ZINC001613012850 1069450223 /nfs/dbraw/zinc/45/02/23/1069450223.db2.gz QKXVMOCDOQMGSP-KZNAEPCWSA-N 1 2 472.612 -0.196 20 0 JBADLO C[C@@H]1COCC[N@H+]1CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H]1CCOC1 ZINC001613012851 1069449979 /nfs/dbraw/zinc/44/99/79/1069449979.db2.gz QKXVMOCDOQMGSP-SQNIBIBYSA-N 1 2 472.612 -0.196 20 0 JBADLO C[C@@H]1COCC[N@@H+]1CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N(C)C[C@@H]1CCOC1 ZINC001613012851 1069449948 /nfs/dbraw/zinc/44/99/48/1069449948.db2.gz QKXVMOCDOQMGSP-SQNIBIBYSA-N 1 2 472.612 -0.196 20 0 JBADLO C[C@@H]1COCC[N@H+]1CCn1c(CN2CCCC2=O)nnc1N1CCN(CC(=O)N(C)C)CC1 ZINC001613012856 1069450037 /nfs/dbraw/zinc/45/00/37/1069450037.db2.gz QNHLLVOUDKSCQP-GOSISDBHSA-N 1 2 462.599 -0.669 20 0 JBADLO C[C@@H]1COCC[N@@H+]1CCn1c(CN2CCCC2=O)nnc1N1CCN(CC(=O)N(C)C)CC1 ZINC001613012856 1069450030 /nfs/dbraw/zinc/45/00/30/1069450030.db2.gz QNHLLVOUDKSCQP-GOSISDBHSA-N 1 2 462.599 -0.669 20 0 JBADLO C[C@H]1COCC[N@H+]1CCn1c(CN2CCCC2=O)nnc1N1CCN(CC(=O)N(C)C)CC1 ZINC001613012857 1069450199 /nfs/dbraw/zinc/45/01/99/1069450199.db2.gz QNHLLVOUDKSCQP-SFHVURJKSA-N 1 2 462.599 -0.669 20 0 JBADLO C[C@H]1COCC[N@@H+]1CCn1c(CN2CCCC2=O)nnc1N1CCN(CC(=O)N(C)C)CC1 ZINC001613012857 1069450189 /nfs/dbraw/zinc/45/01/89/1069450189.db2.gz QNHLLVOUDKSCQP-SFHVURJKSA-N 1 2 462.599 -0.669 20 0 JBADLO C[C@H]1COCC[N@H+]1CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC(C)(C)C1 ZINC001613013442 1069450165 /nfs/dbraw/zinc/45/01/65/1069450165.db2.gz WKIWCPUMFLYLEG-DLBZAZTESA-N 1 2 472.612 -0.053 20 0 JBADLO C[C@H]1COCC[N@@H+]1CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC(C)(C)C1 ZINC001613013442 1069450152 /nfs/dbraw/zinc/45/01/52/1069450152.db2.gz WKIWCPUMFLYLEG-DLBZAZTESA-N 1 2 472.612 -0.053 20 0 JBADLO C[C@@H]1COCC[N@H+]1CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC(C)(C)C1 ZINC001613013443 1069450068 /nfs/dbraw/zinc/45/00/68/1069450068.db2.gz WKIWCPUMFLYLEG-IAGOWNOFSA-N 1 2 472.612 -0.053 20 0 JBADLO C[C@@H]1COCC[N@@H+]1CCn1c([C@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC(C)(C)C1 ZINC001613013443 1069450058 /nfs/dbraw/zinc/45/00/58/1069450058.db2.gz WKIWCPUMFLYLEG-IAGOWNOFSA-N 1 2 472.612 -0.053 20 0 JBADLO C[C@H]1COCC[N@H+]1CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC(C)(C)C1 ZINC001613013444 1069449919 /nfs/dbraw/zinc/44/99/19/1069449919.db2.gz WKIWCPUMFLYLEG-IRXDYDNUSA-N 1 2 472.612 -0.053 20 0 JBADLO C[C@H]1COCC[N@@H+]1CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC(C)(C)C1 ZINC001613013444 1069449907 /nfs/dbraw/zinc/44/99/07/1069449907.db2.gz WKIWCPUMFLYLEG-IRXDYDNUSA-N 1 2 472.612 -0.053 20 0 JBADLO C[C@@H]1COCC[N@H+]1CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC(C)(C)C1 ZINC001613013445 1069450286 /nfs/dbraw/zinc/45/02/86/1069450286.db2.gz WKIWCPUMFLYLEG-SJORKVTESA-N 1 2 472.612 -0.053 20 0 JBADLO C[C@@H]1COCC[N@@H+]1CCn1c([C@@H]2CN(S(C)(=O)=O)CCO2)nnc1N1CCOC(C)(C)C1 ZINC001613013445 1069450281 /nfs/dbraw/zinc/45/02/81/1069450281.db2.gz WKIWCPUMFLYLEG-SJORKVTESA-N 1 2 472.612 -0.053 20 0 JBADLO CC[C@H](C)NC(=O)CN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@H](C)[NH+]2CCOCC2)CC1 ZINC001613445120 1069455586 /nfs/dbraw/zinc/45/55/86/1069455586.db2.gz RVLUIAVHQKOATQ-FHWLQOOXSA-N 1 2 476.626 -0.013 20 0 JBADLO CC[C@H](C)NC(=O)CN1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@H](C)[NH+]2CCOCC2)CC1 ZINC001613445121 1069455705 /nfs/dbraw/zinc/45/57/05/1069455705.db2.gz RVLUIAVHQKOATQ-GBESFXJTSA-N 1 2 476.626 -0.013 20 0 JBADLO CC[C@H](C)NC(=O)CN1CCN(c2nnc([C@H]3CCC(=O)N3)n2C[C@@H](C)[NH+]2CCOCC2)CC1 ZINC001613445122 1069455783 /nfs/dbraw/zinc/45/57/83/1069455783.db2.gz RVLUIAVHQKOATQ-IPMKNSEASA-N 1 2 476.626 -0.013 20 0 JBADLO CC[C@H](C)NC(=O)CN1CCN(c2nnc([C@@H]3CCC(=O)N3)n2C[C@@H](C)[NH+]2CCOCC2)CC1 ZINC001613445123 1069455671 /nfs/dbraw/zinc/45/56/71/1069455671.db2.gz RVLUIAVHQKOATQ-OTWHNJEPSA-N 1 2 476.626 -0.013 20 0 JBADLO CCC(CC)NC(=O)c1nnc(N2CCN3C(=O)C(=O)NC[C@H]3C2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001613592004 1069458311 /nfs/dbraw/zinc/45/83/11/1069458311.db2.gz LLJATIZXSXJMOF-KRWDZBQOSA-N 1 2 490.609 -0.546 20 0 JBADLO CCC(CC)NC(=O)c1nnc(N2CCN3C(=O)C(=O)NC[C@H]3C2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001613592004 1069458309 /nfs/dbraw/zinc/45/83/09/1069458309.db2.gz LLJATIZXSXJMOF-KRWDZBQOSA-N 1 2 490.609 -0.546 20 0 JBADLO CCC(CC)NC(=O)c1nnc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)n1CC[N@H+]1CCOC(C)(C)C1 ZINC001613592005 1069458191 /nfs/dbraw/zinc/45/81/91/1069458191.db2.gz LLJATIZXSXJMOF-QGZVFWFLSA-N 1 2 490.609 -0.546 20 0 JBADLO CCC(CC)NC(=O)c1nnc(N2CCN3C(=O)C(=O)NC[C@@H]3C2)n1CC[N@@H+]1CCOC(C)(C)C1 ZINC001613592005 1069458184 /nfs/dbraw/zinc/45/81/84/1069458184.db2.gz LLJATIZXSXJMOF-QGZVFWFLSA-N 1 2 490.609 -0.546 20 0 JBADLO CN1C(=O)c2ccc(NC(=O)CN3C(=O)C(=O)N(CCC[NH+]4CCOCC4)C3=O)cc2C1=O ZINC001613640422 1069459364 /nfs/dbraw/zinc/45/93/64/1069459364.db2.gz YTIRGABDZPNDMX-UHFFFAOYSA-N 1 2 457.443 -0.636 20 0 JBADLO CCc1nnc(N2CCC[C@H](S(=O)(=O)N3CCOCC3)C2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001614004147 1069460314 /nfs/dbraw/zinc/46/03/14/1069460314.db2.gz HBIRCHNORHYIMH-IBGZPJMESA-N 1 2 483.639 -0.365 20 0 JBADLO CCc1nnc(N2CCC[C@@H](S(=O)(=O)N3CCOCC3)C2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001614004148 1069460511 /nfs/dbraw/zinc/46/05/11/1069460511.db2.gz HBIRCHNORHYIMH-LJQANCHMSA-N 1 2 483.639 -0.365 20 0 JBADLO CCc1nnc(N2CCN(S(=O)(=O)CCOC(C)C)CC2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001614037485 1069461554 /nfs/dbraw/zinc/46/15/54/1069461554.db2.gz KGBVEPFZIJAHKR-UHFFFAOYSA-N 1 2 485.655 -0.119 20 0 JBADLO CC[C@@H]1C(=O)NCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001614076415 1069462889 /nfs/dbraw/zinc/46/28/89/1069462889.db2.gz RPVSFFUUTGXXJJ-BBWFWOEESA-N 1 2 485.611 -0.954 20 0 JBADLO CC[C@@H]1C(=O)NCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001614076415 1069462886 /nfs/dbraw/zinc/46/28/86/1069462886.db2.gz RPVSFFUUTGXXJJ-BBWFWOEESA-N 1 2 485.611 -0.954 20 0 JBADLO CC[C@@H]1C(=O)NCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[N@H+]1CCOC[C@H]1C ZINC001614076418 1069462845 /nfs/dbraw/zinc/46/28/45/1069462845.db2.gz RPVSFFUUTGXXJJ-BRWVUGGUSA-N 1 2 485.611 -0.954 20 0 JBADLO CC[C@@H]1C(=O)NCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001614076418 1069462841 /nfs/dbraw/zinc/46/28/41/1069462841.db2.gz RPVSFFUUTGXXJJ-BRWVUGGUSA-N 1 2 485.611 -0.954 20 0 JBADLO CC[C@@H]1C(=O)NCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[N@H+]1CCOC[C@@H]1C ZINC001614076421 1069462986 /nfs/dbraw/zinc/46/29/86/1069462986.db2.gz RPVSFFUUTGXXJJ-GVDBMIGSSA-N 1 2 485.611 -0.954 20 0 JBADLO CC[C@@H]1C(=O)NCCN1c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[N@@H+]1CCOC[C@@H]1C ZINC001614076421 1069462978 /nfs/dbraw/zinc/46/29/78/1069462978.db2.gz RPVSFFUUTGXXJJ-GVDBMIGSSA-N 1 2 485.611 -0.954 20 0 JBADLO CC[C@@H]1C(=O)NCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[N@H+]1CCOC[C@H]1C ZINC001614076422 1069463590 /nfs/dbraw/zinc/46/35/90/1069463590.db2.gz RPVSFFUUTGXXJJ-ZACQAIPSSA-N 1 2 485.611 -0.954 20 0 JBADLO CC[C@@H]1C(=O)NCCN1c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[N@@H+]1CCOC[C@H]1C ZINC001614076422 1069463583 /nfs/dbraw/zinc/46/35/83/1069463583.db2.gz RPVSFFUUTGXXJJ-ZACQAIPSSA-N 1 2 485.611 -0.954 20 0 JBADLO CCCN1CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[NH+]2CCN(C(C)=O)CC2)CC1=O ZINC001614871476 1069470648 /nfs/dbraw/zinc/47/06/48/1069470648.db2.gz LEIMEOVJRHHENT-KRWDZBQOSA-N 1 2 498.654 -0.499 20 0 JBADLO CCCN1CCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[NH+]2CCN(C(C)=O)CC2)CC1=O ZINC001614871477 1069470779 /nfs/dbraw/zinc/47/07/79/1069470779.db2.gz LEIMEOVJRHHENT-QGZVFWFLSA-N 1 2 498.654 -0.499 20 0 JBADLO COCC(=O)NC1CC[NH+](CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 ZINC001615170169 1069478942 /nfs/dbraw/zinc/47/89/42/1069478942.db2.gz ZAHWOXJIEGMCJB-UHFFFAOYSA-N 1 2 454.549 -0.127 20 0 JBADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3cccnc3)n2CCNS(C)(=O)=O)CC1 ZINC001615329371 1069481369 /nfs/dbraw/zinc/48/13/69/1069481369.db2.gz ATKSLONYQGIPEB-UHFFFAOYSA-N 1 2 464.596 -0.120 20 0 JBADLO CCN(CC)C(=O)C[NH+]1CCN(c2nnc(-c3cnn(C)c3)n2CCS(=O)(=O)N(C)C)CC1 ZINC001615330119 1069482191 /nfs/dbraw/zinc/48/21/91/1069482191.db2.gz OQSXRDGSVWCCTR-UHFFFAOYSA-N 1 2 481.627 -0.440 20 0 JBADLO CCN(CC)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001615395300 1069483467 /nfs/dbraw/zinc/48/34/67/1069483467.db2.gz QJJPHGWTQZMYGF-KRWDZBQOSA-N 1 2 457.601 -0.379 20 0 JBADLO CCN(CC)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001615395301 1069483333 /nfs/dbraw/zinc/48/33/33/1069483333.db2.gz QJJPHGWTQZMYGF-QGZVFWFLSA-N 1 2 457.601 -0.379 20 0 JBADLO COc1ccc(NC(=O)C[N@@H+](C)CCN2CCOCC2)cc1S(=O)(=O)N1CCOCC1 ZINC001615423315 1069484804 /nfs/dbraw/zinc/48/48/04/1069484804.db2.gz STMZBEUYHXDOES-UHFFFAOYSA-N 1 2 456.565 -0.081 20 0 JBADLO COc1ccc(NC(=O)C[N@H+](C)CCN2CCOCC2)cc1S(=O)(=O)N1CCOCC1 ZINC001615423315 1069484792 /nfs/dbraw/zinc/48/47/92/1069484792.db2.gz STMZBEUYHXDOES-UHFFFAOYSA-N 1 2 456.565 -0.081 20 0 JBADLO CCN1C(=O)[C@@H]2CN(c3nnc(C(=O)NC(C)C)n3CC[N@H+]3CCOCC3(C)C)CCN2C1=O ZINC001615675015 1069489001 /nfs/dbraw/zinc/48/90/01/1069489001.db2.gz BLIRYNOYPUUJHW-INIZCTEOSA-N 1 2 476.582 0.000 20 0 JBADLO CCN1C(=O)[C@@H]2CN(c3nnc(C(=O)NC(C)C)n3CC[N@@H+]3CCOCC3(C)C)CCN2C1=O ZINC001615675015 1069488996 /nfs/dbraw/zinc/48/89/96/1069488996.db2.gz BLIRYNOYPUUJHW-INIZCTEOSA-N 1 2 476.582 0.000 20 0 JBADLO CCN1C(=O)[C@H]2CN(c3nnc(C(=O)NC(C)C)n3CC[N@H+]3CCOCC3(C)C)CCN2C1=O ZINC001615675016 1069488859 /nfs/dbraw/zinc/48/88/59/1069488859.db2.gz BLIRYNOYPUUJHW-MRXNPFEDSA-N 1 2 476.582 0.000 20 0 JBADLO CCN1C(=O)[C@H]2CN(c3nnc(C(=O)NC(C)C)n3CC[N@@H+]3CCOCC3(C)C)CCN2C1=O ZINC001615675016 1069488850 /nfs/dbraw/zinc/48/88/50/1069488850.db2.gz BLIRYNOYPUUJHW-MRXNPFEDSA-N 1 2 476.582 0.000 20 0 JBADLO CCn1cccc(Cn2c([C@H](C)NS(C)(=O)=O)nnc2N(C)CC[NH+]2CCOCC2)c1=O ZINC001615726265 1069491511 /nfs/dbraw/zinc/49/15/11/1069491511.db2.gz MOWRQBJXSABBER-INIZCTEOSA-N 1 2 467.596 -0.113 20 0 JBADLO CCn1cccc(Cn2c([C@@H](C)NS(C)(=O)=O)nnc2N(C)CC[NH+]2CCOCC2)c1=O ZINC001615726266 1069491533 /nfs/dbraw/zinc/49/15/33/1069491533.db2.gz MOWRQBJXSABBER-MRXNPFEDSA-N 1 2 467.596 -0.113 20 0 JBADLO CC[N@H+]1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@]2(O)CCS(=O)(=O)C2)C[C@H]1C ZINC001615754126 1069491960 /nfs/dbraw/zinc/49/19/60/1069491960.db2.gz ORAQIODVHCAFDA-LDDOYCOJSA-N 1 2 478.641 -0.643 20 0 JBADLO CC[N@@H+]1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@]2(O)CCS(=O)(=O)C2)C[C@H]1C ZINC001615754126 1069491954 /nfs/dbraw/zinc/49/19/54/1069491954.db2.gz ORAQIODVHCAFDA-LDDOYCOJSA-N 1 2 478.641 -0.643 20 0 JBADLO CC[N@H+]1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@]2(O)CCS(=O)(=O)C2)C[C@H]1C ZINC001615754127 1069492021 /nfs/dbraw/zinc/49/20/21/1069492021.db2.gz ORAQIODVHCAFDA-LLDVTBCESA-N 1 2 478.641 -0.643 20 0 JBADLO CC[N@@H+]1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@]2(O)CCS(=O)(=O)C2)C[C@H]1C ZINC001615754127 1069492018 /nfs/dbraw/zinc/49/20/18/1069492018.db2.gz ORAQIODVHCAFDA-LLDVTBCESA-N 1 2 478.641 -0.643 20 0 JBADLO CC[N@H+]1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@]2(O)CCS(=O)(=O)C2)C[C@@H]1C ZINC001615754128 1069492008 /nfs/dbraw/zinc/49/20/08/1069492008.db2.gz ORAQIODVHCAFDA-XSWJXKHESA-N 1 2 478.641 -0.643 20 0 JBADLO CC[N@@H+]1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@]2(O)CCS(=O)(=O)C2)C[C@@H]1C ZINC001615754128 1069492004 /nfs/dbraw/zinc/49/20/04/1069492004.db2.gz ORAQIODVHCAFDA-XSWJXKHESA-N 1 2 478.641 -0.643 20 0 JBADLO CC[N@H+]1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@]2(O)CCS(=O)(=O)C2)C[C@@H]1C ZINC001615754129 1069492090 /nfs/dbraw/zinc/49/20/90/1069492090.db2.gz ORAQIODVHCAFDA-YRBFXIGRSA-N 1 2 478.641 -0.643 20 0 JBADLO CC[N@@H+]1C[C@H](C)N(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@]2(O)CCS(=O)(=O)C2)C[C@@H]1C ZINC001615754129 1069492078 /nfs/dbraw/zinc/49/20/78/1069492078.db2.gz ORAQIODVHCAFDA-YRBFXIGRSA-N 1 2 478.641 -0.643 20 0 JBADLO CC[N@H+]1C[C@H](C)N(c2nnc(CN3CCCC3=O)n2C[C@@]2(O)CCS(=O)(=O)C2)C[C@@H]1C ZINC001615776146 1069492823 /nfs/dbraw/zinc/49/28/23/1069492823.db2.gz QSRFOPBTGRBBHL-FTRWYGJKSA-N 1 2 454.597 -0.131 20 0 JBADLO CC[N@@H+]1C[C@H](C)N(c2nnc(CN3CCCC3=O)n2C[C@@]2(O)CCS(=O)(=O)C2)C[C@@H]1C ZINC001615776146 1069492811 /nfs/dbraw/zinc/49/28/11/1069492811.db2.gz QSRFOPBTGRBBHL-FTRWYGJKSA-N 1 2 454.597 -0.131 20 0 JBADLO CC[N@H+]1C[C@H](C)N(c2nnc(CN3CCCC3=O)n2C[C@]2(O)CCS(=O)(=O)C2)C[C@H]1C ZINC001615776147 1069493027 /nfs/dbraw/zinc/49/30/27/1069493027.db2.gz QSRFOPBTGRBBHL-GQIGUUNPSA-N 1 2 454.597 -0.131 20 0 JBADLO CC[N@@H+]1C[C@H](C)N(c2nnc(CN3CCCC3=O)n2C[C@]2(O)CCS(=O)(=O)C2)C[C@H]1C ZINC001615776147 1069493018 /nfs/dbraw/zinc/49/30/18/1069493018.db2.gz QSRFOPBTGRBBHL-GQIGUUNPSA-N 1 2 454.597 -0.131 20 0 JBADLO CC[N@H+]1C[C@H](C)N(c2nnc(CN3CCCC3=O)n2C[C@@]2(O)CCS(=O)(=O)C2)C[C@H]1C ZINC001615776148 1069492792 /nfs/dbraw/zinc/49/27/92/1069492792.db2.gz QSRFOPBTGRBBHL-GUXCAODWSA-N 1 2 454.597 -0.131 20 0 JBADLO CC[N@@H+]1C[C@H](C)N(c2nnc(CN3CCCC3=O)n2C[C@@]2(O)CCS(=O)(=O)C2)C[C@H]1C ZINC001615776148 1069492787 /nfs/dbraw/zinc/49/27/87/1069492787.db2.gz QSRFOPBTGRBBHL-GUXCAODWSA-N 1 2 454.597 -0.131 20 0 JBADLO CC[N@H+]1C[C@H](C)N(c2nnc(CN3CCCC3=O)n2C[C@]2(O)CCS(=O)(=O)C2)C[C@@H]1C ZINC001615776149 1069492974 /nfs/dbraw/zinc/49/29/74/1069492974.db2.gz QSRFOPBTGRBBHL-TWOQFEAHSA-N 1 2 454.597 -0.131 20 0 JBADLO CC[N@@H+]1C[C@H](C)N(c2nnc(CN3CCCC3=O)n2C[C@]2(O)CCS(=O)(=O)C2)C[C@@H]1C ZINC001615776149 1069492972 /nfs/dbraw/zinc/49/29/72/1069492972.db2.gz QSRFOPBTGRBBHL-TWOQFEAHSA-N 1 2 454.597 -0.131 20 0 JBADLO CC[N@H+]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C[C@H]1C ZINC001615863728 1069498430 /nfs/dbraw/zinc/49/84/30/1069498430.db2.gz DGCKFZVBPUGOHX-BRWVUGGUSA-N 1 2 474.653 -0.008 20 0 JBADLO CC[N@@H+]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C[C@H]1C ZINC001615863728 1069498422 /nfs/dbraw/zinc/49/84/22/1069498422.db2.gz DGCKFZVBPUGOHX-BRWVUGGUSA-N 1 2 474.653 -0.008 20 0 JBADLO CC[N@H+]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C[C@@H]1C ZINC001615863729 1069498249 /nfs/dbraw/zinc/49/82/49/1069498249.db2.gz DGCKFZVBPUGOHX-GVDBMIGSSA-N 1 2 474.653 -0.008 20 0 JBADLO CC[N@@H+]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@@H]2CCN(S(C)(=O)=O)C2)C[C@@H]1C ZINC001615863729 1069498241 /nfs/dbraw/zinc/49/82/41/1069498241.db2.gz DGCKFZVBPUGOHX-GVDBMIGSSA-N 1 2 474.653 -0.008 20 0 JBADLO CC[N@H+]1CCN(c2nnc([C@@H]3CCS(=O)(=O)C3)n2C[C@H]2CCN(S(C)(=O)=O)C2)C[C@H]1C ZINC001615863730 1069498192 /nfs/dbraw/zinc/49/81/92/1069498192.db2.gz 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/nfs/dbraw/zinc/55/83/44/1069558344.db2.gz ROWZPFLARDYYOZ-DLBZAZTESA-N 1 2 458.585 -0.442 20 0 JBADLO CN(CC[NH+]1CCOCC1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCO1 ZINC001618305584 1069558349 /nfs/dbraw/zinc/55/83/49/1069558349.db2.gz ROWZPFLARDYYOZ-IAGOWNOFSA-N 1 2 458.585 -0.442 20 0 JBADLO CN(CC[NH+]1CCOCC1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@@H]1CCCO1 ZINC001618305585 1069558234 /nfs/dbraw/zinc/55/82/34/1069558234.db2.gz ROWZPFLARDYYOZ-IRXDYDNUSA-N 1 2 458.585 -0.442 20 0 JBADLO CN(CC[NH+]1CCOCC1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1C[C@H]1CCCO1 ZINC001618305586 1069558759 /nfs/dbraw/zinc/55/87/59/1069558759.db2.gz ROWZPFLARDYYOZ-SJORKVTESA-N 1 2 458.585 -0.442 20 0 JBADLO CN(CC[NH+]1CCOCC1)c1nnc([C@@H]2CN(S(C)(=O)=O)CCO2)n1CC1(O)CCCC1 ZINC001618305801 1069558830 /nfs/dbraw/zinc/55/88/30/1069558830.db2.gz WEXGMYOOQKEEMV-KRWDZBQOSA-N 1 2 472.612 -0.316 20 0 JBADLO CN(CC[NH+]1CCOCC1)c1nnc([C@H]2CN(S(C)(=O)=O)CCO2)n1CC1(O)CCCC1 ZINC001618305804 1069558701 /nfs/dbraw/zinc/55/87/01/1069558701.db2.gz WEXGMYOOQKEEMV-QGZVFWFLSA-N 1 2 472.612 -0.316 20 0 JBADLO CN(CCS(C)(=O)=O)c1nnc([C@@H]2CCC(=O)N2)n1Cc1ccc[nH+]c1N1CCOCC1 ZINC001618353739 1069559860 /nfs/dbraw/zinc/55/98/60/1069559860.db2.gz QFSCSRFLNYEBMS-INIZCTEOSA-N 1 2 463.564 -0.010 20 0 JBADLO CN(CCS(C)(=O)=O)c1nnc([C@H]2CCC(=O)N2)n1Cc1ccc[nH+]c1N1CCOCC1 ZINC001618353740 1069560336 /nfs/dbraw/zinc/56/03/36/1069560336.db2.gz QFSCSRFLNYEBMS-MRXNPFEDSA-N 1 2 463.564 -0.010 20 0 JBADLO C[C@H](O)CNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC001618477246 1069564255 /nfs/dbraw/zinc/56/42/55/1069564255.db2.gz ZSHBDCRWCAZAJA-DOTOQJQBSA-N 1 2 454.549 -0.991 20 0 JBADLO C[C@@H](O)CNS(=O)(=O)c1ccc(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC001618477247 1069564399 /nfs/dbraw/zinc/56/43/99/1069564399.db2.gz ZSHBDCRWCAZAJA-NVXWUHKLSA-N 1 2 454.549 -0.991 20 0 JBADLO C[C@H](O)CNS(=O)(=O)c1ccc(C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC001618477248 1069564283 /nfs/dbraw/zinc/56/42/83/1069564283.db2.gz ZSHBDCRWCAZAJA-RDJZCZTQSA-N 1 2 454.549 -0.991 20 0 JBADLO C[C@@H](O)CNS(=O)(=O)c1ccc(C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1 ZINC001618477249 1069564556 /nfs/dbraw/zinc/56/45/56/1069564556.db2.gz ZSHBDCRWCAZAJA-WBVHZDCISA-N 1 2 454.549 -0.991 20 0 JBADLO CN1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@H+]2CCOCC2(C)C)CC1=O ZINC001618481732 1069564954 /nfs/dbraw/zinc/56/49/54/1069564954.db2.gz DBLLXPKGTGDVDX-INIZCTEOSA-N 1 2 485.611 -1.000 20 0 JBADLO CN1CCN(c2nnc([C@@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@@H+]2CCOCC2(C)C)CC1=O ZINC001618481732 1069564952 /nfs/dbraw/zinc/56/49/52/1069564952.db2.gz DBLLXPKGTGDVDX-INIZCTEOSA-N 1 2 485.611 -1.000 20 0 JBADLO CN1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@H+]2CCOCC2(C)C)CC1=O ZINC001618481733 1069565082 /nfs/dbraw/zinc/56/50/82/1069565082.db2.gz DBLLXPKGTGDVDX-MRXNPFEDSA-N 1 2 485.611 -1.000 20 0 JBADLO CN1CCN(c2nnc([C@H]3CN(S(C)(=O)=O)CCO3)n2CC[N@@H+]2CCOCC2(C)C)CC1=O ZINC001618481733 1069565071 /nfs/dbraw/zinc/56/50/71/1069565071.db2.gz DBLLXPKGTGDVDX-MRXNPFEDSA-N 1 2 485.611 -1.000 20 0 JBADLO O=C([C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N(Cc1cccnc1)[C@H]1CCS(=O)(=O)C1 ZINC001618525382 1069568744 /nfs/dbraw/zinc/56/87/44/1069568744.db2.gz KCTYVIKIJSKREK-MOPGFXCFSA-N 1 2 450.561 -0.222 20 0 JBADLO O=C([C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N(Cc1cccnc1)[C@H]1CCS(=O)(=O)C1 ZINC001618525383 1069568676 /nfs/dbraw/zinc/56/86/76/1069568676.db2.gz KCTYVIKIJSKREK-OALUTQOASA-N 1 2 450.561 -0.222 20 0 JBADLO O=C([C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N(Cc1cccnc1)[C@@H]1CCS(=O)(=O)C1 ZINC001618525384 1069568615 /nfs/dbraw/zinc/56/86/15/1069568615.db2.gz KCTYVIKIJSKREK-RBUKOAKNSA-N 1 2 450.561 -0.222 20 0 JBADLO O=C([C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)N(Cc1cccnc1)[C@@H]1CCS(=O)(=O)C1 ZINC001618525385 1069568788 /nfs/dbraw/zinc/56/87/88/1069568788.db2.gz KCTYVIKIJSKREK-RTBURBONSA-N 1 2 450.561 -0.222 20 0 JBADLO CNC(=O)[C@H](C)CN(C)c1nnc([C@H]2OCC[C@H]2COC)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001618564859 1069570184 /nfs/dbraw/zinc/57/01/84/1069570184.db2.gz QWJRBVQNGCVJEX-NEWSRXKRSA-N 1 2 465.599 -0.016 20 0 JBADLO CNC(=O)[C@@H](C)CN(C)c1nnc([C@H]2OCC[C@H]2COC)n1CC[NH+]1CCN(C(C)=O)CC1 ZINC001618564866 1069570190 /nfs/dbraw/zinc/57/01/90/1069570190.db2.gz QWJRBVQNGCVJEX-WDSOQIARSA-N 1 2 465.599 -0.016 20 0 JBADLO CNC(=O)[C@@]1(C)CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2([NH+]3CCOCC3)CC2)C1 ZINC001618571532 1069570208 /nfs/dbraw/zinc/57/02/08/1069570208.db2.gz AQSCCKXTPWNDJF-BEFAXECRSA-N 1 2 469.612 -0.285 20 0 JBADLO CNC(=O)[C@]1(C)CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2([NH+]3CCOCC3)CC2)C1 ZINC001618571533 1069570164 /nfs/dbraw/zinc/57/01/64/1069570164.db2.gz AQSCCKXTPWNDJF-DNVCBOLYSA-N 1 2 469.612 -0.285 20 0 JBADLO CNC(=O)[C@]1(C)CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2([NH+]3CCOCC3)CC2)C1 ZINC001618571534 1069570156 /nfs/dbraw/zinc/57/01/56/1069570156.db2.gz AQSCCKXTPWNDJF-HNAYVOBHSA-N 1 2 469.612 -0.285 20 0 JBADLO CNC(=O)[C@@]1(C)CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2([NH+]3CCOCC3)CC2)C1 ZINC001618571535 1069570234 /nfs/dbraw/zinc/57/02/34/1069570234.db2.gz AQSCCKXTPWNDJF-KXBFYZLASA-N 1 2 469.612 -0.285 20 0 JBADLO CNC(=O)[C@]1(C)CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](C)[NH+]2CCOCC2)C1 ZINC001618572597 1069570170 /nfs/dbraw/zinc/57/01/70/1069570170.db2.gz HNGJJGDULRBABO-QMTMVMCOSA-N 1 2 457.601 -0.429 20 0 JBADLO CNC(=O)[C@]1(C)CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](C)[NH+]2CCOCC2)C1 ZINC001618572603 1069570678 /nfs/dbraw/zinc/57/06/78/1069570678.db2.gz HNGJJGDULRBABO-SPYBWZPUSA-N 1 2 457.601 -0.429 20 0 JBADLO CNC(=O)[C@]1(C)CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](C)[NH+]2CCOCC2)C1 ZINC001618572606 1069570706 /nfs/dbraw/zinc/57/07/06/1069570706.db2.gz HNGJJGDULRBABO-YZVOILCLSA-N 1 2 457.601 -0.429 20 0 JBADLO CNC(=O)[C@]1(C)CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](C)[NH+]2CCOCC2)C1 ZINC001618572607 1069570605 /nfs/dbraw/zinc/57/06/05/1069570605.db2.gz HNGJJGDULRBABO-ZRGWGRIASA-N 1 2 457.601 -0.429 20 0 JBADLO CNC(=O)[C@@H]1CCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@H](C)[NH+]2CCOCC2)C1 ZINC001618624917 1069572330 /nfs/dbraw/zinc/57/23/30/1069572330.db2.gz JXXIWCWCTZRLSN-ARFHVFGLSA-N 1 2 457.601 -0.429 20 0 JBADLO CNC(=O)[C@@H]1CCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2C[C@@H](C)[NH+]2CCOCC2)C1 ZINC001618624918 1069572082 /nfs/dbraw/zinc/57/20/82/1069572082.db2.gz JXXIWCWCTZRLSN-BZUAXINKSA-N 1 2 457.601 -0.429 20 0 JBADLO CNC(=O)[C@@H]1CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@H](C)[NH+]2CCOCC2)C1 ZINC001618624919 1069572220 /nfs/dbraw/zinc/57/22/20/1069572220.db2.gz JXXIWCWCTZRLSN-HRCADAONSA-N 1 2 457.601 -0.429 20 0 JBADLO CNC(=O)[C@@H]1CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2C[C@@H](C)[NH+]2CCOCC2)C1 ZINC001618624920 1069572065 /nfs/dbraw/zinc/57/20/65/1069572065.db2.gz JXXIWCWCTZRLSN-OWCLPIDISA-N 1 2 457.601 -0.429 20 0 JBADLO CNC(=O)[C@H]1CCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2([NH+]3CCOCC3)CC2)C1 ZINC001618626465 1069572244 /nfs/dbraw/zinc/57/22/44/1069572244.db2.gz WCOVQDDYGHIXCV-CVEARBPZSA-N 1 2 469.612 -0.285 20 0 JBADLO CNC(=O)[C@H]1CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2([NH+]3CCOCC3)CC2)C1 ZINC001618626466 1069572313 /nfs/dbraw/zinc/57/23/13/1069572313.db2.gz WCOVQDDYGHIXCV-HOTGVXAUSA-N 1 2 469.612 -0.285 20 0 JBADLO CNC(=O)[C@@H]1CCCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC2([NH+]3CCOCC3)CC2)C1 ZINC001618626528 1069572161 /nfs/dbraw/zinc/57/21/61/1069572161.db2.gz WCOVQDDYGHIXCV-HZPDHXFCSA-N 1 2 469.612 -0.285 20 0 JBADLO CNC(=O)[C@@H]1CCCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC2([NH+]3CCOCC3)CC2)C1 ZINC001618626532 1069572104 /nfs/dbraw/zinc/57/21/04/1069572104.db2.gz WCOVQDDYGHIXCV-JKSUJKDBSA-N 1 2 469.612 -0.285 20 0 JBADLO CNC(=O)[C@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(N3CCCC3)[nH+]c2)CCO1 ZINC001618683338 1069575029 /nfs/dbraw/zinc/57/50/29/1069575029.db2.gz BWPDLBGYWRDMAT-DOTOQJQBSA-N 1 2 492.606 -0.117 20 0 JBADLO CNC(=O)[C@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(N3CCCC3)[nH+]c2)CCO1 ZINC001618683341 1069575184 /nfs/dbraw/zinc/57/51/84/1069575184.db2.gz BWPDLBGYWRDMAT-NVXWUHKLSA-N 1 2 492.606 -0.117 20 0 JBADLO CNC(=O)[C@@H]1CN(c2nnc([C@H](C)NS(C)(=O)=O)n2Cc2ccc(N3CCCC3)[nH+]c2)CCO1 ZINC001618683345 1069575050 /nfs/dbraw/zinc/57/50/50/1069575050.db2.gz BWPDLBGYWRDMAT-RDJZCZTQSA-N 1 2 492.606 -0.117 20 0 JBADLO CNC(=O)[C@@H]1CN(c2nnc([C@@H](C)NS(C)(=O)=O)n2Cc2ccc(N3CCCC3)[nH+]c2)CCO1 ZINC001618683348 1069575131 /nfs/dbraw/zinc/57/51/31/1069575131.db2.gz BWPDLBGYWRDMAT-WBVHZDCISA-N 1 2 492.606 -0.117 20 0 JBADLO CNC(=O)[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CC[N@H+]2CCOC(C)(C)C2)CCO1 ZINC001618684709 1069575684 /nfs/dbraw/zinc/57/56/84/1069575684.db2.gz HUZQZKZJJFTBNZ-INIZCTEOSA-N 1 2 472.550 -0.013 20 0 JBADLO CNC(=O)[C@@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CC[N@@H+]2CCOC(C)(C)C2)CCO1 ZINC001618684709 1069575679 /nfs/dbraw/zinc/57/56/79/1069575679.db2.gz HUZQZKZJJFTBNZ-INIZCTEOSA-N 1 2 472.550 -0.013 20 0 JBADLO CNC(=O)[C@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CC[N@H+]2CCOC(C)(C)C2)CCO1 ZINC001618684711 1069575520 /nfs/dbraw/zinc/57/55/20/1069575520.db2.gz HUZQZKZJJFTBNZ-MRXNPFEDSA-N 1 2 472.550 -0.013 20 0 JBADLO CNC(=O)[C@H]1CN(c2nnc(C(=O)Nc3ccccn3)n2CC[N@@H+]2CCOC(C)(C)C2)CCO1 ZINC001618684711 1069575507 /nfs/dbraw/zinc/57/55/07/1069575507.db2.gz HUZQZKZJJFTBNZ-MRXNPFEDSA-N 1 2 472.550 -0.013 20 0 JBADLO CNC(=O)[C@H]1CN(c2nnc([C@H](C)OCCOC)n2CC2([NH+]3CCOCC3)CC2)CCO1 ZINC001618686936 1069576481 /nfs/dbraw/zinc/57/64/81/1069576481.db2.gz SOETXFVHJJSDPW-DLBZAZTESA-N 1 2 452.556 -0.182 20 0 JBADLO CNC(=O)[C@H]1CN(c2nnc([C@@H](C)OCCOC)n2CC2([NH+]3CCOCC3)CC2)CCO1 ZINC001618686937 1069576750 /nfs/dbraw/zinc/57/67/50/1069576750.db2.gz SOETXFVHJJSDPW-IAGOWNOFSA-N 1 2 452.556 -0.182 20 0 JBADLO CNC(=O)[C@@H]1CN(c2nnc([C@H](C)OCCOC)n2CC2([NH+]3CCOCC3)CC2)CCO1 ZINC001618686938 1069576642 /nfs/dbraw/zinc/57/66/42/1069576642.db2.gz SOETXFVHJJSDPW-IRXDYDNUSA-N 1 2 452.556 -0.182 20 0 JBADLO CNC(=O)[C@@H]1CN(c2nnc([C@@H](C)OCCOC)n2CC2([NH+]3CCOCC3)CC2)CCO1 ZINC001618686939 1069576811 /nfs/dbraw/zinc/57/68/11/1069576811.db2.gz SOETXFVHJJSDPW-SJORKVTESA-N 1 2 452.556 -0.182 20 0 JBADLO CNC(=O)CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[N@H+]2CCOC[C@H]2C)CC1 ZINC001618711474 1069581707 /nfs/dbraw/zinc/58/17/07/1069581707.db2.gz ZSRVBLIYSIKXDV-CVEARBPZSA-N 1 2 471.628 -0.039 20 0 JBADLO CNC(=O)CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[N@@H+]2CCOC[C@H]2C)CC1 ZINC001618711474 1069581690 /nfs/dbraw/zinc/58/16/90/1069581690.db2.gz ZSRVBLIYSIKXDV-CVEARBPZSA-N 1 2 471.628 -0.039 20 0 JBADLO CNC(=O)CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[N@H+]2CCOC[C@@H]2C)CC1 ZINC001618711477 1069581490 /nfs/dbraw/zinc/58/14/90/1069581490.db2.gz ZSRVBLIYSIKXDV-HOTGVXAUSA-N 1 2 471.628 -0.039 20 0 JBADLO CNC(=O)CC1CCN(c2nnc([C@H](C)NS(C)(=O)=O)n2CC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC001618711477 1069581488 /nfs/dbraw/zinc/58/14/88/1069581488.db2.gz ZSRVBLIYSIKXDV-HOTGVXAUSA-N 1 2 471.628 -0.039 20 0 JBADLO CNC(=O)CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[N@H+]2CCOC[C@H]2C)CC1 ZINC001618711480 1069581454 /nfs/dbraw/zinc/58/14/54/1069581454.db2.gz ZSRVBLIYSIKXDV-HZPDHXFCSA-N 1 2 471.628 -0.039 20 0 JBADLO CNC(=O)CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[N@@H+]2CCOC[C@H]2C)CC1 ZINC001618711480 1069581444 /nfs/dbraw/zinc/58/14/44/1069581444.db2.gz ZSRVBLIYSIKXDV-HZPDHXFCSA-N 1 2 471.628 -0.039 20 0 JBADLO CNC(=O)CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[N@H+]2CCOC[C@@H]2C)CC1 ZINC001618711483 1069581631 /nfs/dbraw/zinc/58/16/31/1069581631.db2.gz ZSRVBLIYSIKXDV-JKSUJKDBSA-N 1 2 471.628 -0.039 20 0 JBADLO CNC(=O)CC1CCN(c2nnc([C@@H](C)NS(C)(=O)=O)n2CC[N@@H+]2CCOC[C@@H]2C)CC1 ZINC001618711483 1069581616 /nfs/dbraw/zinc/58/16/16/1069581616.db2.gz ZSRVBLIYSIKXDV-JKSUJKDBSA-N 1 2 471.628 -0.039 20 0 JBADLO CNC(=O)CCN(C)c1nnc([C@H](C)NS(C)(=O)=O)n1Cc1ccc[nH+]c1N1CCOCC1 ZINC001618755026 1069582866 /nfs/dbraw/zinc/58/28/66/1069582866.db2.gz ALIAZQAGLSIJPJ-HNNXBMFYSA-N 1 2 480.595 -0.260 20 0 JBADLO CNC(=O)CCN(C)c1nnc([C@@H](C)NS(C)(=O)=O)n1Cc1ccc[nH+]c1N1CCOCC1 ZINC001618755027 1069582727 /nfs/dbraw/zinc/58/27/27/1069582727.db2.gz ALIAZQAGLSIJPJ-OAHLLOKOSA-N 1 2 480.595 -0.260 20 0 JBADLO CNC(=O)N1CCN(c2nnc(Cc3ccccn3)n2CC[NH+]2CCN(C(C)=O)CC2)CC1 ZINC001618834782 1069588071 /nfs/dbraw/zinc/58/80/71/1069588071.db2.gz ALFBDHCSEJDDKO-UHFFFAOYSA-N 1 2 455.567 -0.111 20 0 JBADLO CNS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC001618842772 1069590347 /nfs/dbraw/zinc/59/03/47/1069590347.db2.gz DRNCLZYQESFQHV-AWEZNQCLSA-N 1 2 463.568 -0.927 20 0 JBADLO CNS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC001618842773 1069590521 /nfs/dbraw/zinc/59/05/21/1069590521.db2.gz DRNCLZYQESFQHV-CQSZACIVSA-N 1 2 463.568 -0.927 20 0 JBADLO CNS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CC[NH+](CC(=O)N2CCCC[C@@H]2C)CC1 ZINC001618842824 1069590554 /nfs/dbraw/zinc/59/05/54/1069590554.db2.gz GXQAKLXOPYBYKS-KRWDZBQOSA-N 1 2 491.622 -0.193 20 0 JBADLO CNS(=O)(=O)CCn1c(-c2cnccn2)nnc1N1CC[NH+](CC(=O)N2CCCC[C@H]2C)CC1 ZINC001618842825 1069590470 /nfs/dbraw/zinc/59/04/70/1069590470.db2.gz GXQAKLXOPYBYKS-QGZVFWFLSA-N 1 2 491.622 -0.193 20 0 JBADLO 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C[C@H](O)[C@H](NS(=O)(=O)c1cccs1)C(=O)N1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC001628307052 1069726812 /nfs/dbraw/zinc/72/68/12/1069726812.db2.gz OSERYONXNKHVGK-YJBOKZPZSA-N 1 2 458.606 -0.068 20 0 JBADLO C[C@H](O)[C@H](NS(=O)(=O)c1cccs1)C(=O)N1CCC[N@H+](CC(=O)N2CCCC2)CC1 ZINC001628307052 1069726810 /nfs/dbraw/zinc/72/68/10/1069726810.db2.gz OSERYONXNKHVGK-YJBOKZPZSA-N 1 2 458.606 -0.068 20 0 JBADLO C[C@H](NC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)C1(S(C)(=O)=O)CC1 ZINC001628482006 1069728976 /nfs/dbraw/zinc/72/89/76/1069728976.db2.gz GYESEGRVXNSSBX-HNNXBMFYSA-N 1 2 459.594 -0.202 20 0 JBADLO C[C@@H](NC(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)C1(S(C)(=O)=O)CC1 ZINC001628482007 1069728638 /nfs/dbraw/zinc/72/86/38/1069728638.db2.gz GYESEGRVXNSSBX-OAHLLOKOSA-N 1 2 459.594 -0.202 20 0 JBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)N1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC001628482405 1069728673 /nfs/dbraw/zinc/72/86/73/1069728673.db2.gz JFRANJSTGSTQEX-CVEARBPZSA-N 1 2 452.537 -0.327 20 0 JBADLO CCNC(=O)N1CC[C@H](NC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC001628482429 1069728699 /nfs/dbraw/zinc/72/86/99/1069728699.db2.gz KLVXOUKYKGLZTF-INIZCTEOSA-N 1 2 453.569 -0.364 20 0 JBADLO CCNC(=O)N1CC[C@@H](NC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)C1 ZINC001628482430 1069728748 /nfs/dbraw/zinc/72/87/48/1069728748.db2.gz KLVXOUKYKGLZTF-MRXNPFEDSA-N 1 2 453.569 -0.364 20 0 JBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)NCC1(N2CCOCC2)CC1 ZINC001628482449 1069728779 /nfs/dbraw/zinc/72/87/79/1069728779.db2.gz KWODJKMENRZGQG-UHFFFAOYSA-N 1 2 452.581 -0.303 20 0 JBADLO CCN(C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)[C@H]1CCS(=O)(=O)C1 ZINC001628482877 1069728847 /nfs/dbraw/zinc/72/88/47/1069728847.db2.gz NUIHNJPLESJUCS-INIZCTEOSA-N 1 2 459.594 -0.248 20 0 JBADLO CCN(C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)[C@@H]1CCS(=O)(=O)C1 ZINC001628482878 1069728962 /nfs/dbraw/zinc/72/89/62/1069728962.db2.gz NUIHNJPLESJUCS-MRXNPFEDSA-N 1 2 459.594 -0.248 20 0 JBADLO CONC(=O)C1CCN(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC001628483679 1069729062 /nfs/dbraw/zinc/72/90/62/1069729062.db2.gz HRDWSEBATGHLAQ-UHFFFAOYSA-N 1 2 454.553 -0.367 20 0 JBADLO CCOC(=O)[C@@H]1CN(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CCO1 ZINC001628485214 1069728722 /nfs/dbraw/zinc/72/87/22/1069728722.db2.gz UOUVWXGPGXYGCK-INIZCTEOSA-N 1 2 455.537 -0.493 20 0 JBADLO CCOC(=O)[C@H]1CN(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CCO1 ZINC001628485215 1069728907 /nfs/dbraw/zinc/72/89/07/1069728907.db2.gz UOUVWXGPGXYGCK-MRXNPFEDSA-N 1 2 455.537 -0.493 20 0 JBADLO Cc1ccc(S(=O)(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](C)C[NH+]2CCN(C)CC2)cc1C ZINC001628512459 1069728886 /nfs/dbraw/zinc/72/88/86/1069728886.db2.gz JCQUZFHWXIPLTN-HKUYNNGSSA-N 1 2 453.609 -0.032 20 0 JBADLO Cc1ccc(S(=O)(=O)N[C@H](CCC(N)=O)C(=O)N[C@H](C)C[NH+]2CCN(C)CC2)cc1C ZINC001628512460 1069729940 /nfs/dbraw/zinc/72/99/40/1069729940.db2.gz JCQUZFHWXIPLTN-IEBWSBKVSA-N 1 2 453.609 -0.032 20 0 JBADLO Cc1ccc(S(=O)(=O)N[C@@H](CCC(N)=O)C(=O)N[C@H](C)C[NH+]2CCN(C)CC2)cc1C ZINC001628512461 1069729550 /nfs/dbraw/zinc/72/95/50/1069729550.db2.gz JCQUZFHWXIPLTN-MJGOQNOKSA-N 1 2 453.609 -0.032 20 0 JBADLO Cc1ccc(S(=O)(=O)N[C@H](CCC(N)=O)C(=O)N[C@@H](C)C[NH+]2CCN(C)CC2)cc1C ZINC001628512462 1069729735 /nfs/dbraw/zinc/72/97/35/1069729735.db2.gz JCQUZFHWXIPLTN-PKOBYXMFSA-N 1 2 453.609 -0.032 20 0 JBADLO CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)n(C)c1 ZINC001628646368 1069730571 /nfs/dbraw/zinc/73/05/71/1069730571.db2.gz CPCSHIWPEVBUSX-INIZCTEOSA-N 1 2 455.581 -0.282 20 0 JBADLO CCN(CC)S(=O)(=O)c1cc(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)n(C)c1 ZINC001628646369 1069730686 /nfs/dbraw/zinc/73/06/86/1069730686.db2.gz CPCSHIWPEVBUSX-MRXNPFEDSA-N 1 2 455.581 -0.282 20 0 JBADLO CC(C)(C)OC(=O)CN1CCC[C@H](C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1=O ZINC001628646525 1069730317 /nfs/dbraw/zinc/73/03/17/1069730317.db2.gz FVZKRHPSDJEWMV-DLBZAZTESA-N 1 2 452.552 -0.384 20 0 JBADLO CC(C)(C)OC(=O)CN1CCC[C@H](C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1=O ZINC001628646526 1069730479 /nfs/dbraw/zinc/73/04/79/1069730479.db2.gz FVZKRHPSDJEWMV-IAGOWNOFSA-N 1 2 452.552 -0.384 20 0 JBADLO CC(C)(C)OC(=O)CN1CCC[C@@H](C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1=O ZINC001628646527 1069730736 /nfs/dbraw/zinc/73/07/36/1069730736.db2.gz FVZKRHPSDJEWMV-IRXDYDNUSA-N 1 2 452.552 -0.384 20 0 JBADLO CC(C)(C)OC(=O)CN1CCC[C@@H](C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1=O ZINC001628646528 1069730423 /nfs/dbraw/zinc/73/04/23/1069730423.db2.gz FVZKRHPSDJEWMV-SJORKVTESA-N 1 2 452.552 -0.384 20 0 JBADLO CN(CCOc1ccc(S(N)(=O)=O)cc1)C(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001628824982 1069734271 /nfs/dbraw/zinc/73/42/71/1069734271.db2.gz GGVKRGMXVBJUDR-INIZCTEOSA-N 1 2 454.549 -0.648 20 0 JBADLO CN(CCOc1ccc(S(N)(=O)=O)cc1)C(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001628824983 1069733968 /nfs/dbraw/zinc/73/39/68/1069733968.db2.gz GGVKRGMXVBJUDR-MRXNPFEDSA-N 1 2 454.549 -0.648 20 0 JBADLO CCNC(=O)C[N@H+]1CCCN(C(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(F)cc2)CC1 ZINC001629104388 1069735014 /nfs/dbraw/zinc/73/50/14/1069735014.db2.gz XUEGOVADIBIYHZ-AEFFLSMTSA-N 1 2 456.540 -0.380 20 0 JBADLO CCNC(=O)C[N@@H+]1CCCN(C(=O)[C@@H]2C[C@@H](O)CN2S(=O)(=O)c2ccc(F)cc2)CC1 ZINC001629104388 1069735003 /nfs/dbraw/zinc/73/50/03/1069735003.db2.gz XUEGOVADIBIYHZ-AEFFLSMTSA-N 1 2 456.540 -0.380 20 0 JBADLO CC(C)(C)OC(=O)N1CC[C@H]([NH+]2CCN(C(=O)CN3CCN(S(C)(=O)=O)CC3)CC2)C1 ZINC001629236890 1069735661 /nfs/dbraw/zinc/73/56/61/1069735661.db2.gz ZKZLZGIGEGPTET-KRWDZBQOSA-N 1 2 459.613 -0.283 20 0 JBADLO CC(C)(C)OC(=O)N1CC[C@@H]([NH+]2CCN(C(=O)CN3CCN(S(C)(=O)=O)CC3)CC2)C1 ZINC001629236891 1069735824 /nfs/dbraw/zinc/73/58/24/1069735824.db2.gz ZKZLZGIGEGPTET-QGZVFWFLSA-N 1 2 459.613 -0.283 20 0 JBADLO CC(C)NC(=O)CNS(=O)(=O)CCC(=O)N1C[C@H]2OCC[N@@H+](Cc3ccccc3)[C@H]2C1 ZINC001629288209 1069735622 /nfs/dbraw/zinc/73/56/22/1069735622.db2.gz CCWXETDOMKVAEW-RBUKOAKNSA-N 1 2 452.577 -0.068 20 0 JBADLO 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COc1ccc(S(=O)(=O)NCC(=O)NC[C@]2(CO)COCC3(CCC3)[N@H+]2C)cc1OC ZINC001629652691 1069737888 /nfs/dbraw/zinc/73/78/88/1069737888.db2.gz ROVAOVLIYCLUFL-FQEVSTJZSA-N 1 2 457.549 -0.286 20 0 JBADLO COc1ccc(S(=O)(=O)NCC(=O)NC[C@]2(CO)COCC3(CCC3)[N@@H+]2C)cc1OC ZINC001629652691 1069737879 /nfs/dbraw/zinc/73/78/79/1069737879.db2.gz ROVAOVLIYCLUFL-FQEVSTJZSA-N 1 2 457.549 -0.286 20 0 JBADLO COc1ccc(S(=O)(=O)NCC(=O)NC[C@@]2(CO)COCC3(CCC3)[N@H+]2C)cc1OC ZINC001629652692 1069737976 /nfs/dbraw/zinc/73/79/76/1069737976.db2.gz ROVAOVLIYCLUFL-HXUWFJFHSA-N 1 2 457.549 -0.286 20 0 JBADLO COc1ccc(S(=O)(=O)NCC(=O)NC[C@@]2(CO)COCC3(CCC3)[N@@H+]2C)cc1OC ZINC001629652692 1069737961 /nfs/dbraw/zinc/73/79/61/1069737961.db2.gz ROVAOVLIYCLUFL-HXUWFJFHSA-N 1 2 457.549 -0.286 20 0 JBADLO C[N@H+]1CCN(C(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001629765681 1069738547 /nfs/dbraw/zinc/73/85/47/1069738547.db2.gz CDBGHBSYADMWEY-MSOLQXFVSA-N 1 2 453.584 -0.166 20 0 JBADLO C[N@@H+]1CCN(C(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001629765681 1069738536 /nfs/dbraw/zinc/73/85/36/1069738536.db2.gz CDBGHBSYADMWEY-MSOLQXFVSA-N 1 2 453.584 -0.166 20 0 JBADLO C[N@H+]1CCN(C(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001629765682 1069738463 /nfs/dbraw/zinc/73/84/63/1069738463.db2.gz CDBGHBSYADMWEY-QZTJIDSGSA-N 1 2 453.584 -0.166 20 0 JBADLO C[N@@H+]1CCN(C(=O)[C@@H]2CC(=O)N(CCN3CCOCC3)C2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001629765682 1069738453 /nfs/dbraw/zinc/73/84/53/1069738453.db2.gz CDBGHBSYADMWEY-QZTJIDSGSA-N 1 2 453.584 -0.166 20 0 JBADLO C[N@H+]1CCN(C(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001629765683 1069738710 /nfs/dbraw/zinc/73/87/10/1069738710.db2.gz CDBGHBSYADMWEY-ROUUACIJSA-N 1 2 453.584 -0.166 20 0 JBADLO C[N@@H+]1CCN(C(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)[C@@H](CNC(=O)OC(C)(C)C)C1 ZINC001629765683 1069738703 /nfs/dbraw/zinc/73/87/03/1069738703.db2.gz CDBGHBSYADMWEY-ROUUACIJSA-N 1 2 453.584 -0.166 20 0 JBADLO C[N@H+]1CCN(C(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001629765684 1069738686 /nfs/dbraw/zinc/73/86/86/1069738686.db2.gz CDBGHBSYADMWEY-ZWKOTPCHSA-N 1 2 453.584 -0.166 20 0 JBADLO C[N@@H+]1CCN(C(=O)[C@H]2CC(=O)N(CCN3CCOCC3)C2)[C@H](CNC(=O)OC(C)(C)C)C1 ZINC001629765684 1069738677 /nfs/dbraw/zinc/73/86/77/1069738677.db2.gz CDBGHBSYADMWEY-ZWKOTPCHSA-N 1 2 453.584 -0.166 20 0 JBADLO NC(=O)CNS(=O)(=O)c1ccc(C(=O)NCC[NH+]2CCN(c3ccc(F)cc3)CC2)o1 ZINC001629778138 1069738650 /nfs/dbraw/zinc/73/86/50/1069738650.db2.gz VJPFXTQNCFFSOU-UHFFFAOYSA-N 1 2 453.496 -0.266 20 0 JBADLO O=C(N[C@@H](CO)C(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1)c1ccc(F)cc1 ZINC001629809868 1069738755 /nfs/dbraw/zinc/73/87/55/1069738755.db2.gz GDQNCNOIHXUOTK-SFHVURJKSA-N 1 2 458.494 -0.108 20 0 JBADLO O=C(N[C@@H](CO)C(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1)c1ccc(F)cc1 ZINC001629809868 1069738750 /nfs/dbraw/zinc/73/87/50/1069738750.db2.gz GDQNCNOIHXUOTK-SFHVURJKSA-N 1 2 458.494 -0.108 20 0 JBADLO CCS(=O)(=O)c1cccc(CC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC001629829956 1069739152 /nfs/dbraw/zinc/73/91/52/1069739152.db2.gz RMQWMNFOYDIBRW-UHFFFAOYSA-N 1 2 458.606 -0.341 20 0 JBADLO CC(C)(C)OC(=O)N1C[C@@H]2COC[C@]2(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC001629835574 1069739210 /nfs/dbraw/zinc/73/92/10/1069739210.db2.gz JUALLEWOYOTSEP-DRSNIGMVSA-N 1 2 452.552 -0.081 20 0 JBADLO CC(C)(C)OC(=O)N1C[C@@H]2COC[C@]2(C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC001629835575 1069739511 /nfs/dbraw/zinc/73/95/11/1069739511.db2.gz JUALLEWOYOTSEP-HYFFOGBASA-N 1 2 452.552 -0.081 20 0 JBADLO COc1cc(C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc(OC)c1OCC(N)=O ZINC001629835691 1069739573 /nfs/dbraw/zinc/73/95/73/1069739573.db2.gz KZFYHNJJAGBVGK-HNNXBMFYSA-N 1 2 450.492 -0.769 20 0 JBADLO COc1cc(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc(OC)c1OCC(N)=O ZINC001629835692 1069739487 /nfs/dbraw/zinc/73/94/87/1069739487.db2.gz KZFYHNJJAGBVGK-OAHLLOKOSA-N 1 2 450.492 -0.769 20 0 JBADLO CC(C)(C)OC(=O)N1CC2(C1)CC(C(=O)N[C@H]1CC(=O)N(CC[NH+]3CCOCC3)C1)=NO2 ZINC001629835859 1069739279 /nfs/dbraw/zinc/73/92/79/1069739279.db2.gz QHQHAQRNXHKVNU-HNNXBMFYSA-N 1 2 451.524 -0.199 20 0 JBADLO CC(C)(C)OC(=O)N1CC2(C1)CC(C(=O)N[C@@H]1CC(=O)N(CC[NH+]3CCOCC3)C1)=NO2 ZINC001629835860 1069739425 /nfs/dbraw/zinc/73/94/25/1069739425.db2.gz QHQHAQRNXHKVNU-OAHLLOKOSA-N 1 2 451.524 -0.199 20 0 JBADLO O=C(NCCS(=O)(=O)NC[C@H]1CCCCO1)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC001630198105 1069743193 /nfs/dbraw/zinc/74/31/93/1069743193.db2.gz DQMUAEHKFNHFDT-AEFFLSMTSA-N 1 2 450.627 -0.018 20 0 JBADLO O=C(NCCS(=O)(=O)NC[C@@H]1CCCCO1)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC001630198106 1069743235 /nfs/dbraw/zinc/74/32/35/1069743235.db2.gz DQMUAEHKFNHFDT-FUHWJXTLSA-N 1 2 450.627 -0.018 20 0 JBADLO O=C(NCCS(=O)(=O)NC[C@H]1CCCCO1)NC[C@]1([NH+]2CCOCC2)CCSC1 ZINC001630198107 1069743988 /nfs/dbraw/zinc/74/39/88/1069743988.db2.gz DQMUAEHKFNHFDT-SJLPKXTDSA-N 1 2 450.627 -0.018 20 0 JBADLO O=C(NCCS(=O)(=O)NC[C@@H]1CCCCO1)NC[C@@]1([NH+]2CCOCC2)CCSC1 ZINC001630198108 1069743760 /nfs/dbraw/zinc/74/37/60/1069743760.db2.gz DQMUAEHKFNHFDT-WMZOPIPTSA-N 1 2 450.627 -0.018 20 0 JBADLO CC(C)(C)NS(=O)(=O)CCNC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC001630285226 1069744068 /nfs/dbraw/zinc/74/40/68/1069744068.db2.gz DKAMCUJLZKUSMW-UHFFFAOYSA-N 1 2 455.585 -0.137 20 0 JBADLO CC(C)(C)NS(=O)(=O)CCNC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC001630285226 1069744053 /nfs/dbraw/zinc/74/40/53/1069744053.db2.gz DKAMCUJLZKUSMW-UHFFFAOYSA-N 1 2 455.585 -0.137 20 0 JBADLO CS(=O)(=O)NC[C@@H]1COCCN1C(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC001630327936 1069744819 /nfs/dbraw/zinc/74/48/19/1069744819.db2.gz WUKVDWKZVMMCQC-GOSISDBHSA-N 1 2 456.565 -0.143 20 0 JBADLO CS(=O)(=O)NC[C@H]1COCCN1C(=O)NCc1ccccc1OCC[NH+]1CCOCC1 ZINC001630327937 1069744573 /nfs/dbraw/zinc/74/45/73/1069744573.db2.gz WUKVDWKZVMMCQC-SFHVURJKSA-N 1 2 456.565 -0.143 20 0 JBADLO CC(C)NS(=O)(=O)CCNC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC001630336408 1069744693 /nfs/dbraw/zinc/74/46/93/1069744693.db2.gz FACUJQUTMWICDT-INIZCTEOSA-N 1 2 455.585 -0.091 20 0 JBADLO CC(C)NS(=O)(=O)CCNC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC001630336408 1069744686 /nfs/dbraw/zinc/74/46/86/1069744686.db2.gz FACUJQUTMWICDT-INIZCTEOSA-N 1 2 455.585 -0.091 20 0 JBADLO CC(C)NS(=O)(=O)CCNC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1 ZINC001630336409 1069744512 /nfs/dbraw/zinc/74/45/12/1069744512.db2.gz FACUJQUTMWICDT-MRXNPFEDSA-N 1 2 455.585 -0.091 20 0 JBADLO CC(C)NS(=O)(=O)CCNC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1 ZINC001630336409 1069744492 /nfs/dbraw/zinc/74/44/92/1069744492.db2.gz FACUJQUTMWICDT-MRXNPFEDSA-N 1 2 455.585 -0.091 20 0 JBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)CNS(=O)(=O)c1ccc(Br)cc1 ZINC001630740242 1069746887 /nfs/dbraw/zinc/74/68/87/1069746887.db2.gz VNCVBXWBLSNOOU-AWEZNQCLSA-N 1 2 450.355 -0.121 20 0 JBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)CNS(=O)(=O)c1ccc(Br)cc1 ZINC001630740243 1069746657 /nfs/dbraw/zinc/74/66/57/1069746657.db2.gz VNCVBXWBLSNOOU-CQSZACIVSA-N 1 2 450.355 -0.121 20 0 JBADLO CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N2CCO[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC001630921506 1069747212 /nfs/dbraw/zinc/74/72/12/1069747212.db2.gz FIGOUSHMLZQVAD-GOSISDBHSA-N 1 2 454.549 -0.175 20 0 JBADLO CC(=O)Nc1ccc(S(=O)(=O)N(C)CC(=O)N2CCO[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC001630921507 1069747495 /nfs/dbraw/zinc/74/74/95/1069747495.db2.gz FIGOUSHMLZQVAD-SFHVURJKSA-N 1 2 454.549 -0.175 20 0 JBADLO CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)N2CCO[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC001630922289 1069747343 /nfs/dbraw/zinc/74/73/43/1069747343.db2.gz VMEDIZJDKQGPBM-KRWDZBQOSA-N 1 2 455.533 -0.299 20 0 JBADLO CCOC(=O)c1ccc(S(=O)(=O)NCC(=O)N2CCO[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC001630922290 1069747282 /nfs/dbraw/zinc/74/72/82/1069747282.db2.gz VMEDIZJDKQGPBM-QGZVFWFLSA-N 1 2 455.533 -0.299 20 0 JBADLO CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)NC[C@H](C)S(N)(=O)=O)cc2)CC1 ZINC001630969822 1069747888 /nfs/dbraw/zinc/74/78/88/1069747888.db2.gz JBLYNYQTLZFGSX-INIZCTEOSA-N 1 2 455.581 -0.252 20 0 JBADLO CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)NC[C@@H](C)S(N)(=O)=O)cc2)CC1 ZINC001630969823 1069748073 /nfs/dbraw/zinc/74/80/73/1069748073.db2.gz JBLYNYQTLZFGSX-MRXNPFEDSA-N 1 2 455.581 -0.252 20 0 JBADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)NCc2cn(CC(F)(F)F)c(=O)[nH]c2=O)CC1 ZINC001631208703 1069749435 /nfs/dbraw/zinc/74/94/35/1069749435.db2.gz PBERFHNUSQVDBN-UHFFFAOYSA-N 1 2 455.459 -0.181 20 0 JBADLO C[C@@H]1CN(C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)C[C@H]1CS(N)(=O)=O ZINC001631279759 1069750222 /nfs/dbraw/zinc/75/02/22/1069750222.db2.gz GDUUJYKRZJIVRO-IKGGRYGDSA-N 1 2 467.596 -0.152 20 0 JBADLO C[C@@H]1CN(C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)C[C@H]1CS(N)(=O)=O ZINC001631279759 1069750216 /nfs/dbraw/zinc/75/02/16/1069750216.db2.gz GDUUJYKRZJIVRO-IKGGRYGDSA-N 1 2 467.596 -0.152 20 0 JBADLO C[C@@H]1CN(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)C[C@H]1CS(N)(=O)=O ZINC001631279760 1069750112 /nfs/dbraw/zinc/75/01/12/1069750112.db2.gz GDUUJYKRZJIVRO-IXDOHACOSA-N 1 2 467.596 -0.152 20 0 JBADLO C[C@@H]1CN(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)C[C@H]1CS(N)(=O)=O ZINC001631279760 1069750107 /nfs/dbraw/zinc/75/01/07/1069750107.db2.gz GDUUJYKRZJIVRO-IXDOHACOSA-N 1 2 467.596 -0.152 20 0 JBADLO NS(=O)(=O)C[C@@H]1CCN(C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)C1 ZINC001631280089 1069750146 /nfs/dbraw/zinc/75/01/46/1069750146.db2.gz JWUCFGYGRMLAOX-CVEARBPZSA-N 1 2 453.569 -0.398 20 0 JBADLO NS(=O)(=O)C[C@@H]1CCN(C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)C1 ZINC001631280089 1069750143 /nfs/dbraw/zinc/75/01/43/1069750143.db2.gz JWUCFGYGRMLAOX-CVEARBPZSA-N 1 2 453.569 -0.398 20 0 JBADLO NS(=O)(=O)C[C@H]1CCN(C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)C1 ZINC001631280090 1069750131 /nfs/dbraw/zinc/75/01/31/1069750131.db2.gz JWUCFGYGRMLAOX-HOTGVXAUSA-N 1 2 453.569 -0.398 20 0 JBADLO NS(=O)(=O)C[C@H]1CCN(C(=O)N[C@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)C1 ZINC001631280090 1069750127 /nfs/dbraw/zinc/75/01/27/1069750127.db2.gz JWUCFGYGRMLAOX-HOTGVXAUSA-N 1 2 453.569 -0.398 20 0 JBADLO NS(=O)(=O)C[C@@H]1CCN(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)C1 ZINC001631280092 1069750289 /nfs/dbraw/zinc/75/02/89/1069750289.db2.gz JWUCFGYGRMLAOX-HZPDHXFCSA-N 1 2 453.569 -0.398 20 0 JBADLO NS(=O)(=O)C[C@@H]1CCN(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)C1 ZINC001631280092 1069750274 /nfs/dbraw/zinc/75/02/74/1069750274.db2.gz JWUCFGYGRMLAOX-HZPDHXFCSA-N 1 2 453.569 -0.398 20 0 JBADLO NS(=O)(=O)C[C@H]1CCN(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)[nH+]cn3)C2)C1 ZINC001631280093 1069750168 /nfs/dbraw/zinc/75/01/68/1069750168.db2.gz JWUCFGYGRMLAOX-JKSUJKDBSA-N 1 2 453.569 -0.398 20 0 JBADLO NS(=O)(=O)C[C@H]1CCN(C(=O)N[C@@H]2CCCN(c3cc(N4CCOCC4)nc[nH+]3)C2)C1 ZINC001631280093 1069750166 /nfs/dbraw/zinc/75/01/66/1069750166.db2.gz JWUCFGYGRMLAOX-JKSUJKDBSA-N 1 2 453.569 -0.398 20 0 JBADLO COCCOCC[NH+]1CCN(C(=O)C2CCN(S(=O)(=O)c3cn(C)c(C)n3)CC2)CC1 ZINC001631719207 1069751964 /nfs/dbraw/zinc/75/19/64/1069751964.db2.gz BSZOEPBYEPXEBR-UHFFFAOYSA-N 1 2 457.597 -0.064 20 0 JBADLO COC(=O)CC[N@H+]1CCN(C(=O)c2cc(S(N)(=O)=O)ccc2N2CCOCC2)C[C@@H]1C ZINC001631788617 1069753317 /nfs/dbraw/zinc/75/33/17/1069753317.db2.gz MRDZRLSEPLSKOQ-HNNXBMFYSA-N 1 2 454.549 -0.120 20 0 JBADLO COC(=O)CC[N@@H+]1CCN(C(=O)c2cc(S(N)(=O)=O)ccc2N2CCOCC2)C[C@@H]1C ZINC001631788617 1069753305 /nfs/dbraw/zinc/75/33/05/1069753305.db2.gz MRDZRLSEPLSKOQ-HNNXBMFYSA-N 1 2 454.549 -0.120 20 0 JBADLO COC(=O)CC[N@H+]1CCN(C(=O)c2cc(S(N)(=O)=O)ccc2N2CCOCC2)C[C@H]1C ZINC001631788620 1069753402 /nfs/dbraw/zinc/75/34/02/1069753402.db2.gz MRDZRLSEPLSKOQ-OAHLLOKOSA-N 1 2 454.549 -0.120 20 0 JBADLO COC(=O)CC[N@@H+]1CCN(C(=O)c2cc(S(N)(=O)=O)ccc2N2CCOCC2)C[C@H]1C ZINC001631788620 1069753392 /nfs/dbraw/zinc/75/33/92/1069753392.db2.gz MRDZRLSEPLSKOQ-OAHLLOKOSA-N 1 2 454.549 -0.120 20 0 JBADLO COCCN1C(=O)c2ccc(C(=O)NC3CC[NH+]([C@H]4CCOC4=O)CC3)cc2S1(=O)=O ZINC001632434238 1069756898 /nfs/dbraw/zinc/75/68/98/1069756898.db2.gz ILJGQJXZDPCDNM-INIZCTEOSA-N 1 2 451.501 -0.013 20 0 JBADLO COCCN1C(=O)c2ccc(C(=O)NC3CC[NH+]([C@@H]4CCOC4=O)CC3)cc2S1(=O)=O ZINC001632434239 1069757193 /nfs/dbraw/zinc/75/71/93/1069757193.db2.gz ILJGQJXZDPCDNM-MRXNPFEDSA-N 1 2 451.501 -0.013 20 0 JBADLO CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)NC2CC[NH+]([C@H]3CCOC3=O)CC2)c1 ZINC001632434282 1069757750 /nfs/dbraw/zinc/75/77/50/1069757750.db2.gz JDGSFNAZSCODBL-KRWDZBQOSA-N 1 2 452.533 -0.437 20 0 JBADLO CN(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)NC2CC[NH+]([C@@H]3CCOC3=O)CC2)c1 ZINC001632434283 1069757902 /nfs/dbraw/zinc/75/79/02/1069757902.db2.gz JDGSFNAZSCODBL-QGZVFWFLSA-N 1 2 452.533 -0.437 20 0 JBADLO O=C(Nc1cc(S(=O)(=O)NC2CC2)ccc1O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001632591133 1069758499 /nfs/dbraw/zinc/75/84/99/1069758499.db2.gz DOBRESCDSZFLFQ-AWEZNQCLSA-N 1 2 452.533 -0.048 20 0 JBADLO O=C(Nc1cc(S(=O)(=O)NC2CC2)ccc1O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001632591134 1069758459 /nfs/dbraw/zinc/75/84/59/1069758459.db2.gz DOBRESCDSZFLFQ-CQSZACIVSA-N 1 2 452.533 -0.048 20 0 JBADLO NS(=O)(=O)c1cccc(N2C[C@@H](C(=O)N3CC[NH+](CCc4cnccn4)CC3)CC2=O)c1 ZINC001632842860 1069761677 /nfs/dbraw/zinc/76/16/77/1069761677.db2.gz AKBLHVZDUQSMBI-INIZCTEOSA-N 1 2 458.544 -0.136 20 0 JBADLO NS(=O)(=O)c1cccc(N2C[C@H](C(=O)N3CC[NH+](CCc4cnccn4)CC3)CC2=O)c1 ZINC001632842861 1069761524 /nfs/dbraw/zinc/76/15/24/1069761524.db2.gz AKBLHVZDUQSMBI-MRXNPFEDSA-N 1 2 458.544 -0.136 20 0 JBADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)CCC(=O)N2CCN(c3ncccn3)CC2)CC1 ZINC001632852490 1069761643 /nfs/dbraw/zinc/76/16/43/1069761643.db2.gz NLNCAIQAQQTHHV-UHFFFAOYSA-N 1 2 452.581 -0.469 20 0 JBADLO CNS(=O)(=O)c1cccc(NC(=O)[C@@H](C)NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)c1 ZINC001632862192 1069761713 /nfs/dbraw/zinc/76/17/13/1069761713.db2.gz AAJVQOTYABWVRL-KYJSFNMBSA-N 1 2 454.549 -0.082 20 0 JBADLO CNS(=O)(=O)c1cccc(NC(=O)[C@H](C)NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)c1 ZINC001632862193 1069761477 /nfs/dbraw/zinc/76/14/77/1069761477.db2.gz AAJVQOTYABWVRL-LESCRADOSA-N 1 2 454.549 -0.082 20 0 JBADLO CCc1n[nH]c(=O)c(CNC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1CC ZINC001633272883 1069766083 /nfs/dbraw/zinc/76/60/83/1069766083.db2.gz BUHPBWCTZVEVES-UHFFFAOYSA-N 1 2 455.585 -0.374 20 0 JBADLO COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCC[N@H+]1CCC2(C1)OCCO2 ZINC001633488367 1069768310 /nfs/dbraw/zinc/76/83/10/1069768310.db2.gz GXSQWDFCYRBQDM-UHFFFAOYSA-N 1 2 455.533 -0.105 20 0 JBADLO COc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NCC[N@@H+]1CCC2(C1)OCCO2 ZINC001633488367 1069768300 /nfs/dbraw/zinc/76/83/00/1069768300.db2.gz GXSQWDFCYRBQDM-UHFFFAOYSA-N 1 2 455.533 -0.105 20 0 JBADLO COc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)N2CC[N@@H+](CCO)[C@@H](C)C2)c1OC ZINC001633547667 1069769383 /nfs/dbraw/zinc/76/93/83/1069769383.db2.gz TUUCAEJQDDTLTR-HNNXBMFYSA-N 1 2 457.549 -0.137 20 0 JBADLO COc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)N2CC[N@H+](CCO)[C@@H](C)C2)c1OC ZINC001633547667 1069769354 /nfs/dbraw/zinc/76/93/54/1069769354.db2.gz TUUCAEJQDDTLTR-HNNXBMFYSA-N 1 2 457.549 -0.137 20 0 JBADLO COc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)N2CC[N@@H+](CCO)[C@H](C)C2)c1OC ZINC001633547668 1069769078 /nfs/dbraw/zinc/76/90/78/1069769078.db2.gz TUUCAEJQDDTLTR-OAHLLOKOSA-N 1 2 457.549 -0.137 20 0 JBADLO COc1cc(S(=O)(=O)N2CCOCC2)cc(C(=O)N2CC[N@H+](CCO)[C@H](C)C2)c1OC ZINC001633547668 1069769068 /nfs/dbraw/zinc/76/90/68/1069769068.db2.gz TUUCAEJQDDTLTR-OAHLLOKOSA-N 1 2 457.549 -0.137 20 0 JBADLO O=C(N[C@H](Cc1ccccc1)C(=O)N1CCOCC1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001633565815 1069769215 /nfs/dbraw/zinc/76/92/15/1069769215.db2.gz CDWYWZWFKQFEKO-LEWJYISDSA-N 1 2 458.559 -0.247 20 0 JBADLO O=C(N[C@H](Cc1ccccc1)C(=O)N1CCOCC1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001633565816 1069769148 /nfs/dbraw/zinc/76/91/48/1069769148.db2.gz CDWYWZWFKQFEKO-NHCUHLMSSA-N 1 2 458.559 -0.247 20 0 JBADLO O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCOCC1)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001633565817 1069769263 /nfs/dbraw/zinc/76/92/63/1069769263.db2.gz CDWYWZWFKQFEKO-RTWAWAEBSA-N 1 2 458.559 -0.247 20 0 JBADLO O=C(N[C@@H](Cc1ccccc1)C(=O)N1CCOCC1)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001633565818 1069769168 /nfs/dbraw/zinc/76/91/68/1069769168.db2.gz CDWYWZWFKQFEKO-SFTDATJTSA-N 1 2 458.559 -0.247 20 0 JBADLO C[C@@H](C(=O)N1CCN(S(=O)(=O)c2nc[nH]n2)CC1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC001633786367 1069770644 /nfs/dbraw/zinc/77/06/44/1069770644.db2.gz DYLQLRLMJALJJL-HNNXBMFYSA-N 1 2 451.528 -0.013 20 0 JBADLO C[C@H](C(=O)N1CCN(S(=O)(=O)c2nc[nH]n2)CC1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC001633786368 1069770491 /nfs/dbraw/zinc/77/04/91/1069770491.db2.gz DYLQLRLMJALJJL-OAHLLOKOSA-N 1 2 451.528 -0.013 20 0 JBADLO COc1ccc(C(=O)N[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1S(=O)(=O)N(C)C ZINC001634302341 1069773683 /nfs/dbraw/zinc/77/36/83/1069773683.db2.gz OVTAPGLYGCDMRR-INIZCTEOSA-N 1 2 454.549 -0.392 20 0 JBADLO COc1ccc(C(=O)N[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cc1S(=O)(=O)N(C)C ZINC001634302351 1069773529 /nfs/dbraw/zinc/77/35/29/1069773529.db2.gz OVTAPGLYGCDMRR-MRXNPFEDSA-N 1 2 454.549 -0.392 20 0 JBADLO O=C(Cn1c(=O)ccn(Cc2ccccc2)c1=O)N[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001634302352 1069773626 /nfs/dbraw/zinc/77/36/26/1069773626.db2.gz OWOZUCZCPAYPRM-IBGZPJMESA-N 1 2 455.515 -0.892 20 0 JBADLO O=C(Cn1c(=O)ccn(Cc2ccccc2)c1=O)N[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1 ZINC001634302353 1069773487 /nfs/dbraw/zinc/77/34/87/1069773487.db2.gz OWOZUCZCPAYPRM-LJQANCHMSA-N 1 2 455.515 -0.892 20 0 JBADLO O=C(CN1CCN(C(=O)Cc2c[nH+]cn2Cc2ccccc2)CC1)N[C@H]1CCS(=O)(=O)C1 ZINC001634308193 1069775091 /nfs/dbraw/zinc/77/50/91/1069775091.db2.gz UMFYEJLNYLMUOC-IBGZPJMESA-N 1 2 459.572 -0.079 20 0 JBADLO O=C(CN1CCN(C(=O)Cc2c[nH+]cn2Cc2ccccc2)CC1)N[C@@H]1CCS(=O)(=O)C1 ZINC001634308196 1069774932 /nfs/dbraw/zinc/77/49/32/1069774932.db2.gz UMFYEJLNYLMUOC-LJQANCHMSA-N 1 2 459.572 -0.079 20 0 JBADLO O=C(N[C@@H]1CCS(=O)(=O)C1)[C@H]1CCCC[C@H]1C(=O)N1CC[NH+](CCn2cncn2)CC1 ZINC001634355177 1069775755 /nfs/dbraw/zinc/77/57/55/1069775755.db2.gz AGILAMLCOPVNLZ-FGTMMUONSA-N 1 2 452.581 -0.468 20 0 JBADLO O=C(N[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCCC[C@@H]1C(=O)N1CC[NH+](CCn2cncn2)CC1 ZINC001634355178 1069775933 /nfs/dbraw/zinc/77/59/33/1069775933.db2.gz AGILAMLCOPVNLZ-KURKYZTESA-N 1 2 452.581 -0.468 20 0 JBADLO O=C(N[C@@H]1CCS(=O)(=O)C1)[C@@H]1CCCC[C@H]1C(=O)N1CC[NH+](CCn2cncn2)CC1 ZINC001634355180 1069775702 /nfs/dbraw/zinc/77/57/02/1069775702.db2.gz AGILAMLCOPVNLZ-KZNAEPCWSA-N 1 2 452.581 -0.468 20 0 JBADLO O=C(N[C@@H]1CCS(=O)(=O)C1)[C@H]1CCCC[C@@H]1C(=O)N1CC[NH+](CCn2cncn2)CC1 ZINC001634355181 1069775846 /nfs/dbraw/zinc/77/58/46/1069775846.db2.gz AGILAMLCOPVNLZ-SQNIBIBYSA-N 1 2 452.581 -0.468 20 0 JBADLO CN(CCNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)S(=O)(=O)c1ccc(F)cc1 ZINC001634358679 1069775817 /nfs/dbraw/zinc/77/58/17/1069775817.db2.gz KNRPEWKYWBEZRL-INIZCTEOSA-N 1 2 456.540 -0.257 20 0 JBADLO CN(CCNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)S(=O)(=O)c1ccc(F)cc1 ZINC001634358680 1069775672 /nfs/dbraw/zinc/77/56/72/1069775672.db2.gz KNRPEWKYWBEZRL-MRXNPFEDSA-N 1 2 456.540 -0.257 20 0 JBADLO NS(=O)(=O)c1cccc(N2C[C@@H](C(=O)N3CCO[C@H](C[NH+]4CCOCC4)C3)CC2=O)c1 ZINC001634428005 1069775984 /nfs/dbraw/zinc/77/59/84/1069775984.db2.gz MDDISYQWAHFUCK-DOTOQJQBSA-N 1 2 452.533 -0.754 20 0 JBADLO NS(=O)(=O)c1cccc(N2C[C@H](C(=O)N3CCO[C@H](C[NH+]4CCOCC4)C3)CC2=O)c1 ZINC001634428007 1069775634 /nfs/dbraw/zinc/77/56/34/1069775634.db2.gz MDDISYQWAHFUCK-NVXWUHKLSA-N 1 2 452.533 -0.754 20 0 JBADLO NS(=O)(=O)c1cccc(N2C[C@@H](C(=O)N3CCO[C@@H](C[NH+]4CCOCC4)C3)CC2=O)c1 ZINC001634428010 1069775777 /nfs/dbraw/zinc/77/57/77/1069775777.db2.gz MDDISYQWAHFUCK-RDJZCZTQSA-N 1 2 452.533 -0.754 20 0 JBADLO NS(=O)(=O)c1cccc(N2C[C@H](C(=O)N3CCO[C@@H](C[NH+]4CCOCC4)C3)CC2=O)c1 ZINC001634428011 1069776727 /nfs/dbraw/zinc/77/67/27/1069776727.db2.gz MDDISYQWAHFUCK-WBVHZDCISA-N 1 2 452.533 -0.754 20 0 JBADLO COc1ccc(S(=O)(=O)NCCC(=O)N2CCO[C@@H](C[NH+]3CCOCC3)C2)cc1OC ZINC001634428073 1069776497 /nfs/dbraw/zinc/77/64/97/1069776497.db2.gz NEDGEXSTIYRWCA-INIZCTEOSA-N 1 2 457.549 -0.068 20 0 JBADLO COc1ccc(S(=O)(=O)NCCC(=O)N2CCO[C@H](C[NH+]3CCOCC3)C2)cc1OC ZINC001634428074 1069776401 /nfs/dbraw/zinc/77/64/01/1069776401.db2.gz NEDGEXSTIYRWCA-MRXNPFEDSA-N 1 2 457.549 -0.068 20 0 JBADLO CN(C)C(=O)C[N@H+]1CCCN(C(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)CC1 ZINC001634532437 1069777505 /nfs/dbraw/zinc/77/75/05/1069777505.db2.gz DXCCEFMRBSSPMI-UHFFFAOYSA-N 1 2 458.606 -0.066 20 0 JBADLO CN(C)C(=O)C[N@@H+]1CCCN(C(=O)Cc2ccc(S(=O)(=O)N3CCOCC3)s2)CC1 ZINC001634532437 1069777498 /nfs/dbraw/zinc/77/74/98/1069777498.db2.gz DXCCEFMRBSSPMI-UHFFFAOYSA-N 1 2 458.606 -0.066 20 0 JBADLO CN1CC(=O)N(Cc2ccc(C(N)=O)cc2NC(=O)[C@@H]2CC[C@H](C[NH+]3CCOCC3)O2)C1=O ZINC001634685770 1069778714 /nfs/dbraw/zinc/77/87/14/1069778714.db2.gz LSCCAYXVHLLTRI-AEFFLSMTSA-N 1 2 459.503 -0.002 20 0 JBADLO COCCNS(=O)(=O)c1cccc(NC(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC001634822429 1069779545 /nfs/dbraw/zinc/77/95/45/1069779545.db2.gz FJSUCPWUJWDXKV-INIZCTEOSA-N 1 2 454.549 -0.270 20 0 JBADLO COCCNS(=O)(=O)c1cccc(NC(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)c1 ZINC001634822430 1069779572 /nfs/dbraw/zinc/77/95/72/1069779572.db2.gz FJSUCPWUJWDXKV-MRXNPFEDSA-N 1 2 454.549 -0.270 20 0 JBADLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@@H](CNC(=O)CS(=O)(=O)NC(C)(C)C)CC3)CC1 ZINC001635103302 1069780838 /nfs/dbraw/zinc/78/08/38/1069780838.db2.gz PLJOMNVCEJPPKS-HNNXBMFYSA-N 1 2 454.597 -0.333 20 0 JBADLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@H](CNC(=O)CS(=O)(=O)NC(C)(C)C)CC3)CC1 ZINC001635103303 1069781535 /nfs/dbraw/zinc/78/15/35/1069781535.db2.gz PLJOMNVCEJPPKS-OAHLLOKOSA-N 1 2 454.597 -0.333 20 0 JBADLO Cc1cccc(N2CCN(S(=O)(=O)CC(=O)N(C)C[C@H](O)C[NH+]3CCOCC3)CC2)c1 ZINC001635229125 1069782466 /nfs/dbraw/zinc/78/24/66/1069782466.db2.gz NGVRBPFDQASTQN-FQEVSTJZSA-N 1 2 454.593 -0.402 20 0 JBADLO Cc1cccc(N2CCN(S(=O)(=O)CC(=O)N(C)C[C@@H](O)C[NH+]3CCOCC3)CC2)c1 ZINC001635229126 1069782289 /nfs/dbraw/zinc/78/22/89/1069782289.db2.gz NGVRBPFDQASTQN-HXUWFJFHSA-N 1 2 454.593 -0.402 20 0 JBADLO COC(=O)C[C@H](C)[NH+]1CCN(C(=O)c2cc(S(N)(=O)=O)ccc2N2CCOCC2)CC1 ZINC001635330853 1069783251 /nfs/dbraw/zinc/78/32/51/1069783251.db2.gz FFOFSAWFYLAWJW-HNNXBMFYSA-N 1 2 454.549 -0.120 20 0 JBADLO COC(=O)C[C@@H](C)[NH+]1CCN(C(=O)c2cc(S(N)(=O)=O)ccc2N2CCOCC2)CC1 ZINC001635330854 1069783199 /nfs/dbraw/zinc/78/31/99/1069783199.db2.gz FFOFSAWFYLAWJW-OAHLLOKOSA-N 1 2 454.549 -0.120 20 0 JBADLO CNC(=O)C[N@H+]1CCCN(C(=O)CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)CC1 ZINC001635378730 1069783713 /nfs/dbraw/zinc/78/37/13/1069783713.db2.gz HFHUCEQMSKFRLO-UHFFFAOYSA-N 1 2 451.593 -0.418 20 0 JBADLO CNC(=O)C[N@@H+]1CCCN(C(=O)CN2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)CC1 ZINC001635378730 1069783707 /nfs/dbraw/zinc/78/37/07/1069783707.db2.gz HFHUCEQMSKFRLO-UHFFFAOYSA-N 1 2 451.593 -0.418 20 0 JBADLO CC(C)(C)OC(=O)N1CC[NH+]([C@H]2CCN(C(=O)CN3CCN(S(C)(=O)=O)CC3)C2)CC1 ZINC001636163293 1069788091 /nfs/dbraw/zinc/78/80/91/1069788091.db2.gz YKBXSUZTWGAVIG-KRWDZBQOSA-N 1 2 459.613 -0.283 20 0 JBADLO CC(C)(C)OC(=O)N1CC[NH+]([C@@H]2CCN(C(=O)CN3CCN(S(C)(=O)=O)CC3)C2)CC1 ZINC001636163298 1069788170 /nfs/dbraw/zinc/78/81/70/1069788170.db2.gz YKBXSUZTWGAVIG-QGZVFWFLSA-N 1 2 459.613 -0.283 20 0 JBADLO CS(=O)(=O)N=S1(=O)CCN(C(=O)CCC(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC001636425893 1069788633 /nfs/dbraw/zinc/78/86/33/1069788633.db2.gz AKUGXGHOGNWFHV-UHFFFAOYSA-N 1 2 457.578 -0.220 20 0 JBADLO O=C(NC1CC[NH+]([C@H]2CCOC2=O)CC1)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC001636992364 1069793312 /nfs/dbraw/zinc/79/33/12/1069793312.db2.gz FFHSPEPKCIRNOM-KRWDZBQOSA-N 1 2 450.517 -0.683 20 0 JBADLO O=C(NC1CC[NH+]([C@@H]2CCOC2=O)CC1)c1cccc(S(=O)(=O)N2CCNC(=O)C2)c1 ZINC001636992365 1069793005 /nfs/dbraw/zinc/79/30/05/1069793005.db2.gz FFHSPEPKCIRNOM-QGZVFWFLSA-N 1 2 450.517 -0.683 20 0 JBADLO O=C(NC1CC[NH+]([C@H]2CCOC2=O)CC1)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1 ZINC001636993328 1069793414 /nfs/dbraw/zinc/79/34/14/1069793414.db2.gz YSCQCDQVMAWQDI-NJAFHUGGSA-N 1 2 455.508 -0.154 20 0 JBADLO O=C(NC1CC[NH+]([C@@H]2CCOC2=O)CC1)[C@@H]1C[C@@H](O)CN1S(=O)(=O)c1ccc(F)cc1 ZINC001636993329 1069793110 /nfs/dbraw/zinc/79/31/10/1069793110.db2.gz YSCQCDQVMAWQDI-NXHRZFHOSA-N 1 2 455.508 -0.154 20 0 JBADLO Cn1cc([C@@H]2CS(=O)(=O)CCCN2C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cn1 ZINC001638032741 1069797964 /nfs/dbraw/zinc/79/79/64/1069797964.db2.gz QQVOLOVIJVHZFT-AEFFLSMTSA-N 1 2 453.565 -0.711 20 0 JBADLO Cn1cc([C@H]2CS(=O)(=O)CCCN2C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cn1 ZINC001638032742 1069798045 /nfs/dbraw/zinc/79/80/45/1069798045.db2.gz QQVOLOVIJVHZFT-FUHWJXTLSA-N 1 2 453.565 -0.711 20 0 JBADLO Cn1cc([C@H]2CS(=O)(=O)CCCN2C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cn1 ZINC001638032743 1069798439 /nfs/dbraw/zinc/79/84/39/1069798439.db2.gz QQVOLOVIJVHZFT-SJLPKXTDSA-N 1 2 453.565 -0.711 20 0 JBADLO Cn1cc([C@@H]2CS(=O)(=O)CCCN2C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)cn1 ZINC001638032744 1069798353 /nfs/dbraw/zinc/79/83/53/1069798353.db2.gz QQVOLOVIJVHZFT-WMZOPIPTSA-N 1 2 453.565 -0.711 20 0 JBADLO CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)N2CCC[N@H+](CC(=O)N(C)C)CC2)s1 ZINC001638054321 1069798250 /nfs/dbraw/zinc/79/82/50/1069798250.db2.gz RNVCIEHLQPVZAO-UHFFFAOYSA-N 1 2 459.594 -0.715 20 0 JBADLO CC(=O)NCc1ccc(S(=O)(=O)NCC(=O)N2CCC[N@@H+](CC(=O)N(C)C)CC2)s1 ZINC001638054321 1069798240 /nfs/dbraw/zinc/79/82/40/1069798240.db2.gz RNVCIEHLQPVZAO-UHFFFAOYSA-N 1 2 459.594 -0.715 20 0 JBADLO CN(C)S(=O)(=O)N[C@@H](CNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C1CCCC1 ZINC001638887466 1069804776 /nfs/dbraw/zinc/80/47/76/1069804776.db2.gz MBSAWCRFFCRSIP-MSOLQXFVSA-N 1 2 459.613 -0.762 20 0 JBADLO CN(C)S(=O)(=O)N[C@H](CNC(=O)[C@@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C1CCCC1 ZINC001638887467 1069804955 /nfs/dbraw/zinc/80/49/55/1069804955.db2.gz MBSAWCRFFCRSIP-QZTJIDSGSA-N 1 2 459.613 -0.762 20 0 JBADLO CN(C)S(=O)(=O)N[C@@H](CNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C1CCCC1 ZINC001638887468 1069804847 /nfs/dbraw/zinc/80/48/47/1069804847.db2.gz MBSAWCRFFCRSIP-ROUUACIJSA-N 1 2 459.613 -0.762 20 0 JBADLO CN(C)S(=O)(=O)N[C@H](CNC(=O)[C@H]1CC(=O)N(CC[NH+]2CCOCC2)C1)C1CCCC1 ZINC001638887469 1069805137 /nfs/dbraw/zinc/80/51/37/1069805137.db2.gz MBSAWCRFFCRSIP-ZWKOTPCHSA-N 1 2 459.613 -0.762 20 0 JBADLO Cc1nnc2n1C[C@@H](C(=O)N(C)C)N(C(=O)CCC(=O)N1CCN(c3cccc[nH+]3)CC1)C2 ZINC001640374165 1069811614 /nfs/dbraw/zinc/81/16/14/1069811614.db2.gz FGRFGWAYKQIDME-KRWDZBQOSA-N 1 2 454.535 -0.090 20 0 JBADLO Cc1nnc2n1C[C@H](C(=O)N(C)C)N(C(=O)CCC(=O)N1CCN(c3cccc[nH+]3)CC1)C2 ZINC001640374166 1069811947 /nfs/dbraw/zinc/81/19/47/1069811947.db2.gz FGRFGWAYKQIDME-QGZVFWFLSA-N 1 2 454.535 -0.090 20 0 JBADLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@@H](CNC(=O)[C@](C)(O)Cn2ccccc2=O)CC3)CC1 ZINC001640391316 1069811850 /nfs/dbraw/zinc/81/18/50/1069811850.db2.gz GXFIJEMRTVADSS-GAJHUEQPSA-N 1 2 456.547 -0.438 20 0 JBADLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@H](CNC(=O)[C@@](C)(O)Cn2ccccc2=O)CC3)CC1 ZINC001640391317 1069812261 /nfs/dbraw/zinc/81/22/61/1069812261.db2.gz GXFIJEMRTVADSS-HXOBKFHXSA-N 1 2 456.547 -0.438 20 0 JBADLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@@H](CNC(=O)[C@@](C)(O)Cn2ccccc2=O)CC3)CC1 ZINC001640391318 1069811758 /nfs/dbraw/zinc/81/17/58/1069811758.db2.gz GXFIJEMRTVADSS-SBUREZEXSA-N 1 2 456.547 -0.438 20 0 JBADLO C[NH+]1CCN(C(=O)c2cnn3c2C[C@H](CNC(=O)[C@](C)(O)Cn2ccccc2=O)CC3)CC1 ZINC001640391319 1069812081 /nfs/dbraw/zinc/81/20/81/1069812081.db2.gz GXFIJEMRTVADSS-UZUQRXQVSA-N 1 2 456.547 -0.438 20 0 JBADLO COCCOCC[NH+]1CCN(C(=O)[C@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)CC1 ZINC001640511325 1069812005 /nfs/dbraw/zinc/81/20/05/1069812005.db2.gz DKKUFJKQWILZGU-INIZCTEOSA-N 1 2 454.549 -0.506 20 0 JBADLO COCCOCC[NH+]1CCN(C(=O)[C@@H]2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)CC1 ZINC001640511326 1069811809 /nfs/dbraw/zinc/81/18/09/1069811809.db2.gz DKKUFJKQWILZGU-MRXNPFEDSA-N 1 2 454.549 -0.506 20 0 JBADLO CCC[N@@H+](CC(=O)NC)CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC001641561694 1069818495 /nfs/dbraw/zinc/81/84/95/1069818495.db2.gz QYYCODCZBSBPJI-UHFFFAOYSA-N 1 2 454.549 -0.251 20 0 JBADLO CCC[N@H+](CC(=O)NC)CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC001641561694 1069818470 /nfs/dbraw/zinc/81/84/70/1069818470.db2.gz QYYCODCZBSBPJI-UHFFFAOYSA-N 1 2 454.549 -0.251 20 0 JBADLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)[C@H](CC(N)=O)NC(=O)Cc1cccc(F)c1 ZINC001641669793 1069820187 /nfs/dbraw/zinc/82/01/87/1069820187.db2.gz IYQKBUYEXINOHR-HTAPYJJXSA-N 1 2 450.511 -0.540 20 0 JBADLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)[C@H](CC(N)=O)NC(=O)Cc1cccc(F)c1 ZINC001641669793 1069820175 /nfs/dbraw/zinc/82/01/75/1069820175.db2.gz IYQKBUYEXINOHR-HTAPYJJXSA-N 1 2 450.511 -0.540 20 0 JBADLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)[C@H](CC(N)=O)NC(=O)Cc1cccc(F)c1 ZINC001641669794 1069820349 /nfs/dbraw/zinc/82/03/49/1069820349.db2.gz IYQKBUYEXINOHR-JTSKRJEESA-N 1 2 450.511 -0.540 20 0 JBADLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)[C@H](CC(N)=O)NC(=O)Cc1cccc(F)c1 ZINC001641669794 1069820331 /nfs/dbraw/zinc/82/03/31/1069820331.db2.gz IYQKBUYEXINOHR-JTSKRJEESA-N 1 2 450.511 -0.540 20 0 JBADLO C[N@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)[C@@H](CC(N)=O)NC(=O)Cc1cccc(F)c1 ZINC001641669795 1069819863 /nfs/dbraw/zinc/81/98/63/1069819863.db2.gz IYQKBUYEXINOHR-VGOFRKELSA-N 1 2 450.511 -0.540 20 0 JBADLO C[N@@H+]1C2(CCC2)COC[C@]1(CO)CNC(=O)[C@@H](CC(N)=O)NC(=O)Cc1cccc(F)c1 ZINC001641669795 1069819844 /nfs/dbraw/zinc/81/98/44/1069819844.db2.gz IYQKBUYEXINOHR-VGOFRKELSA-N 1 2 450.511 -0.540 20 0 JBADLO C[N@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)[C@@H](CC(N)=O)NC(=O)Cc1cccc(F)c1 ZINC001641669796 1069820117 /nfs/dbraw/zinc/82/01/17/1069820117.db2.gz IYQKBUYEXINOHR-VGSWGCGISA-N 1 2 450.511 -0.540 20 0 JBADLO C[N@@H+]1C2(CCC2)COC[C@@]1(CO)CNC(=O)[C@@H](CC(N)=O)NC(=O)Cc1cccc(F)c1 ZINC001641669796 1069820102 /nfs/dbraw/zinc/82/01/02/1069820102.db2.gz IYQKBUYEXINOHR-VGSWGCGISA-N 1 2 450.511 -0.540 20 0 JBADLO CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)N2CCO[C@H](C[NH+]3CCOCC3)C2)cc1 ZINC001641718825 1069820801 /nfs/dbraw/zinc/82/08/01/1069820801.db2.gz IUYLOMBKZOZBCL-GOSISDBHSA-N 1 2 454.549 -0.127 20 0 JBADLO CC(=O)Nc1ccc(S(=O)(=O)NCCC(=O)N2CCO[C@@H](C[NH+]3CCOCC3)C2)cc1 ZINC001641718826 1069821112 /nfs/dbraw/zinc/82/11/12/1069821112.db2.gz IUYLOMBKZOZBCL-SFHVURJKSA-N 1 2 454.549 -0.127 20 0 JBADLO O=C(CNS(=O)(=O)c1ccc2c(c1)OCCCO2)N1CCO[C@@H](C[NH+]2CCOCC2)C1 ZINC001641719437 1069820753 /nfs/dbraw/zinc/82/07/53/1069820753.db2.gz UFBWYHIVOJGPTB-INIZCTEOSA-N 1 2 455.533 -0.314 20 0 JBADLO O=C(CNS(=O)(=O)c1ccc2c(c1)OCCCO2)N1CCO[C@H](C[NH+]2CCOCC2)C1 ZINC001641719443 1069820882 /nfs/dbraw/zinc/82/08/82/1069820882.db2.gz UFBWYHIVOJGPTB-MRXNPFEDSA-N 1 2 455.533 -0.314 20 0 JBADLO C[N@H+](CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)C[C@@H](O)CN1CCOCC1 ZINC001641984866 1069822586 /nfs/dbraw/zinc/82/25/86/1069822586.db2.gz RCGQSMIQTFSKME-GOSISDBHSA-N 1 2 456.565 -0.729 20 0 JBADLO C[N@@H+](CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)C[C@@H](O)CN1CCOCC1 ZINC001641984866 1069822564 /nfs/dbraw/zinc/82/25/64/1069822564.db2.gz RCGQSMIQTFSKME-GOSISDBHSA-N 1 2 456.565 -0.729 20 0 JBADLO C[N@H+](CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)C[C@H](O)CN1CCOCC1 ZINC001641984867 1069823176 /nfs/dbraw/zinc/82/31/76/1069823176.db2.gz RCGQSMIQTFSKME-SFHVURJKSA-N 1 2 456.565 -0.729 20 0 JBADLO C[N@@H+](CC(=O)Nc1ccc(S(=O)(=O)N2CCOCC2)cc1)C[C@H](O)CN1CCOCC1 ZINC001641984867 1069823146 /nfs/dbraw/zinc/82/31/46/1069823146.db2.gz RCGQSMIQTFSKME-SFHVURJKSA-N 1 2 456.565 -0.729 20 0 JBADLO COc1ccc(C(=O)NCC[NH+]2CCN(CCNS(=O)(=O)c3cnn(C)c3)CC2)cc1 ZINC001642074267 1069823658 /nfs/dbraw/zinc/82/36/58/1069823658.db2.gz BXMYYAYYSKGAEV-UHFFFAOYSA-N 1 2 450.565 -0.245 20 0 JBADLO COC(=O)CN(C)C(=O)CC[NH+]1CCN(S(=O)(=O)c2ccc3c(c2)NC(=O)CO3)CC1 ZINC001642137275 1069824631 /nfs/dbraw/zinc/82/46/31/1069824631.db2.gz MMAYREQGWGXPJG-UHFFFAOYSA-N 1 2 454.505 -0.655 20 0 JBADLO COc1cccc(NC(=O)CN(C)C(=O)C[NH2+][C@@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)c1 ZINC001642211610 1069824970 /nfs/dbraw/zinc/82/49/70/1069824970.db2.gz QCMXYUZURJDEOD-MSOLQXFVSA-N 1 2 454.549 -0.821 20 0 JBADLO COc1cccc(NC(=O)CN(C)C(=O)C[NH2+][C@@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)c1 ZINC001642211612 1069825683 /nfs/dbraw/zinc/82/56/83/1069825683.db2.gz QCMXYUZURJDEOD-QZTJIDSGSA-N 1 2 454.549 -0.821 20 0 JBADLO COc1cccc(NC(=O)CN(C)C(=O)C[NH2+][C@H]2CS(=O)(=O)C[C@@H]2N2CCOCC2)c1 ZINC001642211614 1069825341 /nfs/dbraw/zinc/82/53/41/1069825341.db2.gz QCMXYUZURJDEOD-ROUUACIJSA-N 1 2 454.549 -0.821 20 0 JBADLO COc1cccc(NC(=O)CN(C)C(=O)C[NH2+][C@H]2CS(=O)(=O)C[C@H]2N2CCOCC2)c1 ZINC001642211616 1069825531 /nfs/dbraw/zinc/82/55/31/1069825531.db2.gz QCMXYUZURJDEOD-ZWKOTPCHSA-N 1 2 454.549 -0.821 20 0 JBADLO CNS(=O)(=O)C[C@H]1CCC[N@H+]1CC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC001642215547 1069825422 /nfs/dbraw/zinc/82/54/22/1069825422.db2.gz VUVJGFUMNCBXIV-GOSISDBHSA-N 1 2 458.606 -0.326 20 0 JBADLO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1CC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC001642215547 1069825395 /nfs/dbraw/zinc/82/53/95/1069825395.db2.gz VUVJGFUMNCBXIV-GOSISDBHSA-N 1 2 458.606 -0.326 20 0 JBADLO CNS(=O)(=O)C[C@@H]1CCC[N@H+]1CC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC001642215548 1069825214 /nfs/dbraw/zinc/82/52/14/1069825214.db2.gz VUVJGFUMNCBXIV-SFHVURJKSA-N 1 2 458.606 -0.326 20 0 JBADLO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1CC(=O)N1CCN(S(=O)(=O)Cc2ccccc2)CC1 ZINC001642215548 1069825189 /nfs/dbraw/zinc/82/51/89/1069825189.db2.gz VUVJGFUMNCBXIV-SFHVURJKSA-N 1 2 458.606 -0.326 20 0 JBADLO O=C(C[NH+]1CCC2(CC1)NC(=O)NC2=O)Nc1cccc(S(=O)(=O)N2CCOCC2)c1 ZINC001642598694 1069828341 /nfs/dbraw/zinc/82/83/41/1069828341.db2.gz BBESSKBJEPVABA-UHFFFAOYSA-N 1 2 451.505 -0.680 20 0 JBADLO C[C@H](C[S@](C)=O)[N@@H+](C)CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC001642689488 1069828563 /nfs/dbraw/zinc/82/85/63/1069828563.db2.gz QEFKCMAYVPQYOV-HOLBHBGLSA-N 1 2 459.590 -0.011 20 0 JBADLO C[C@H](C[S@](C)=O)[N@H+](C)CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC001642689488 1069828520 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1069829212 /nfs/dbraw/zinc/82/92/12/1069829212.db2.gz QEFKCMAYVPQYOV-WNNBVUDTSA-N 1 2 459.590 -0.011 20 0 JBADLO C[C@@H](C[S@](C)=O)[N@H+](C)CC(=O)N1CCN(S(=O)(=O)c2ccc3c(c2)OCCO3)CC1 ZINC001642689491 1069829187 /nfs/dbraw/zinc/82/91/87/1069829187.db2.gz QEFKCMAYVPQYOV-WNNBVUDTSA-N 1 2 459.590 -0.011 20 0 JBADLO O=C(C[N@H+]1CC[C@H]2OCC(=O)N[C@@H]2C1)N1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 ZINC001643329465 1069832957 /nfs/dbraw/zinc/83/29/57/1069832957.db2.gz MJQXHTNAISBVCB-IAGOWNOFSA-N 1 2 474.942 -0.099 20 0 JBADLO O=C(C[N@@H+]1CC[C@H]2OCC(=O)N[C@@H]2C1)N1CCN(S(=O)(=O)c2ccc(F)c(Cl)c2)CC1 ZINC001643329465 1069832938 /nfs/dbraw/zinc/83/29/38/1069832938.db2.gz MJQXHTNAISBVCB-IAGOWNOFSA-N 1 2 474.942 -0.099 20 0 JBADLO Cc1ccc(S(=O)(=O)N2CCN(C(=O)C[N@H+]3CC[C@H]4OCC(=O)N[C@@H]4C3)CC2)cc1C ZINC001643329662 1069832686 /nfs/dbraw/zinc/83/26/86/1069832686.db2.gz UBQKCWKGRLHDCB-RTBURBONSA-N 1 2 450.561 -0.274 20 0 JBADLO Cc1ccc(S(=O)(=O)N2CCN(C(=O)C[N@@H+]3CC[C@H]4OCC(=O)N[C@@H]4C3)CC2)cc1C 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O=C(N[C@@H]1CCC[C@H](O)C1)[C@@H]1CCCN(C(=O)[C@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC001644984502 1069845105 /nfs/dbraw/zinc/84/51/05/1069845105.db2.gz XNOUTESPNCCGMN-WCIQWLHISA-N 1 2 450.580 -0.175 20 0 JBADLO O=C(N[C@@H]1CCC[C@H](O)C1)[C@@H]1CCCN(C(=O)[C@@H]2CC(=O)N(CC[NH+]3CCOCC3)C2)C1 ZINC001644984503 1069844538 /nfs/dbraw/zinc/84/45/38/1069844538.db2.gz XNOUTESPNCCGMN-WTGUMLROSA-N 1 2 450.580 -0.175 20 0 JBADLO C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[N@H+]1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC001645010752 1069845559 /nfs/dbraw/zinc/84/55/59/1069845559.db2.gz IEUWROIFXGMLLV-MSOLQXFVSA-N 1 2 452.581 -0.360 20 0 JBADLO C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[N@@H+]1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC001645010752 1069845537 /nfs/dbraw/zinc/84/55/37/1069845537.db2.gz IEUWROIFXGMLLV-MSOLQXFVSA-N 1 2 452.581 -0.360 20 0 JBADLO C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[N@H+]1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC001645010753 1069846054 /nfs/dbraw/zinc/84/60/54/1069846054.db2.gz IEUWROIFXGMLLV-QZTJIDSGSA-N 1 2 452.581 -0.360 20 0 JBADLO C[C@H](C(=O)N1CCN(c2ncccn2)CC1)[N@@H+]1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC001645010753 1069846034 /nfs/dbraw/zinc/84/60/34/1069846034.db2.gz IEUWROIFXGMLLV-QZTJIDSGSA-N 1 2 452.581 -0.360 20 0 JBADLO C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)[N@H+]1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC001645010754 1069845923 /nfs/dbraw/zinc/84/59/23/1069845923.db2.gz IEUWROIFXGMLLV-ROUUACIJSA-N 1 2 452.581 -0.360 20 0 JBADLO C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)[N@@H+]1CCC[C@H](S(=O)(=O)N2CCOCC2)C1 ZINC001645010754 1069845901 /nfs/dbraw/zinc/84/59/01/1069845901.db2.gz IEUWROIFXGMLLV-ROUUACIJSA-N 1 2 452.581 -0.360 20 0 JBADLO C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)[N@H+]1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC001645010755 1069845685 /nfs/dbraw/zinc/84/56/85/1069845685.db2.gz IEUWROIFXGMLLV-ZWKOTPCHSA-N 1 2 452.581 -0.360 20 0 JBADLO C[C@@H](C(=O)N1CCN(c2ncccn2)CC1)[N@@H+]1CCC[C@@H](S(=O)(=O)N2CCOCC2)C1 ZINC001645010755 1069845664 /nfs/dbraw/zinc/84/56/64/1069845664.db2.gz IEUWROIFXGMLLV-ZWKOTPCHSA-N 1 2 452.581 -0.360 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CCS(=O)(=O)NCCc1ccc(S(=O)(=O)NC2CC[NH+](CC(=O)NC)CC2)s1 ZINC001653527668 1069882512 /nfs/dbraw/zinc/88/25/12/1069882512.db2.gz YSWWJAWXTNIMQV-UHFFFAOYSA-N 1 2 452.624 -0.281 20 0 JBADLO COC(=O)C1CCC(S(=O)(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CC1 ZINC001653572202 1069883386 /nfs/dbraw/zinc/88/33/86/1069883386.db2.gz HHYXRDMVGDZFAG-UHFFFAOYSA-N 1 2 452.599 -0.842 20 0 JBADLO CC(C)O[C@@]1(CS(=O)(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CCOC1 ZINC001653572265 1069883194 /nfs/dbraw/zinc/88/31/94/1069883194.db2.gz JBTBQACHCHUXNY-KRWDZBQOSA-N 1 2 454.615 -0.990 20 0 JBADLO CC(C)O[C@]1(CS(=O)(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)CCOC1 ZINC001653572351 1069883681 /nfs/dbraw/zinc/88/36/81/1069883681.db2.gz JBTBQACHCHUXNY-QGZVFWFLSA-N 1 2 454.615 -0.990 20 0 JBADLO COc1ccc(S(=O)(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c(C)c1F ZINC001653573251 1069883502 /nfs/dbraw/zinc/88/35/02/1069883502.db2.gz ZFFKRBYNSCEHRT-UHFFFAOYSA-N 1 2 450.558 -0.059 20 0 JBADLO 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CC(=O)c1ccc(S(=O)(=O)N2CCN(C(=O)C[N@@H+]3CC[C@H]4OCC(=O)N[C@@H]4C3)CC2)cc1 ZINC001653809367 1069887373 /nfs/dbraw/zinc/88/73/73/1069887373.db2.gz VNHOGCZHDYASSW-RTBURBONSA-N 1 2 464.544 -0.689 20 0 JBADLO CNS(=O)(=O)NC1CC[NH+](CC(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)CC1 ZINC001654356043 1069894023 /nfs/dbraw/zinc/89/40/23/1069894023.db2.gz BINRVRKGBGIXAL-UHFFFAOYSA-N 1 2 459.594 -0.962 20 0 JBADLO O=S(=O)(NC1CC1)c1ccc(S(=O)(=O)N2CCC(O)(C[NH+]3CCOCC3)CC2)cc1 ZINC001654798294 1069897316 /nfs/dbraw/zinc/89/73/16/1069897316.db2.gz WGPDMLZPKNCENG-UHFFFAOYSA-N 1 2 459.590 -0.025 20 0 JBADLO NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C[NH+]1CCC(NC(=O)N2CCOCC2)CC1 ZINC001654814630 1069898696 /nfs/dbraw/zinc/89/86/96/1069898696.db2.gz LZDAGIRTCLTXEG-UHFFFAOYSA-N 1 2 451.549 -0.271 20 0 JBADLO CNC(=O)C[N@H+]1CCCN(CC(=O)Nc2cccc(S(=O)(=O)NC3=NCCC3)c2)CC1 ZINC001654847588 1069898190 /nfs/dbraw/zinc/89/81/90/1069898190.db2.gz CIXAZWQQQIFTBW-UHFFFAOYSA-N 1 2 450.565 -0.151 20 0 JBADLO CNC(=O)C[N@@H+]1CCCN(CC(=O)Nc2cccc(S(=O)(=O)NC3=NCCC3)c2)CC1 ZINC001654847588 1069898161 /nfs/dbraw/zinc/89/81/61/1069898161.db2.gz CIXAZWQQQIFTBW-UHFFFAOYSA-N 1 2 450.565 -0.151 20 0 JBADLO CNC(=O)C[N@H+]1CCCN(CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 ZINC001654848502 1069898627 /nfs/dbraw/zinc/89/86/27/1069898627.db2.gz SEPVQEVNLLUWQO-UHFFFAOYSA-N 1 2 453.565 -0.600 20 0 JBADLO CNC(=O)C[N@@H+]1CCCN(CC(=O)Nc2ccc(S(=O)(=O)N3CCOCC3)cc2)CC1 ZINC001654848502 1069898601 /nfs/dbraw/zinc/89/86/01/1069898601.db2.gz SEPVQEVNLLUWQO-UHFFFAOYSA-N 1 2 453.565 -0.600 20 0 JBADLO CNC(=O)C[N@H+]1CCCN(CC(=O)N2CCCc3cc(S(=O)(=O)N(C)C)ccc32)CC1 ZINC001654848650 1069898548 /nfs/dbraw/zinc/89/85/48/1069898548.db2.gz WVCSYBDXXNHYIO-UHFFFAOYSA-N 1 2 451.593 -0.030 20 0 JBADLO CNC(=O)C[N@@H+]1CCCN(CC(=O)N2CCCc3cc(S(=O)(=O)N(C)C)ccc32)CC1 ZINC001654848650 1069898524 /nfs/dbraw/zinc/89/85/24/1069898524.db2.gz WVCSYBDXXNHYIO-UHFFFAOYSA-N 1 2 451.593 -0.030 20 0 JBADLO CN1CC[N@@H+](CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)CCC1=O ZINC001655032769 1069900116 /nfs/dbraw/zinc/90/01/16/1069900116.db2.gz BKHPKWTXLYYXGN-UHFFFAOYSA-N 1 2 452.533 -0.545 20 0 JBADLO CN1CC[N@H+](CC(=O)N2CCN(S(=O)(=O)c3ccc4c(c3)OCCO4)CC2)CCC1=O ZINC001655032769 1069900111 /nfs/dbraw/zinc/90/01/11/1069900111.db2.gz BKHPKWTXLYYXGN-UHFFFAOYSA-N 1 2 452.533 -0.545 20 0 JBADLO COCCN(C(=O)C[N@@H+]1CCC(=O)N(C)CC1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC001655034165 1069900015 /nfs/dbraw/zinc/90/00/15/1069900015.db2.gz YGHSXMHUBZXFDT-UHFFFAOYSA-N 1 2 458.519 -0.277 20 0 JBADLO COCCN(C(=O)C[N@H+]1CCC(=O)N(C)CC1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O ZINC001655034165 1069900012 /nfs/dbraw/zinc/90/00/12/1069900012.db2.gz YGHSXMHUBZXFDT-UHFFFAOYSA-N 1 2 458.519 -0.277 20 0 JBADLO C[C@H](C(=O)N1CCC[C@H](C(N)=O)C1)[NH+]1CCN(CCNS(=O)(=O)c2ccccc2)CC1 ZINC001655172651 1069900757 /nfs/dbraw/zinc/90/07/57/1069900757.db2.gz MPWZVYMQFORATP-MSOLQXFVSA-N 1 2 451.593 -0.305 20 0 JBADLO C[C@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[NH+]1CCN(CCNS(=O)(=O)c2ccccc2)CC1 ZINC001655172652 1069901307 /nfs/dbraw/zinc/90/13/07/1069901307.db2.gz MPWZVYMQFORATP-QZTJIDSGSA-N 1 2 451.593 -0.305 20 0 JBADLO C[C@@H](C(=O)N1CCC[C@H](C(N)=O)C1)[NH+]1CCN(CCNS(=O)(=O)c2ccccc2)CC1 ZINC001655172653 1069901475 /nfs/dbraw/zinc/90/14/75/1069901475.db2.gz MPWZVYMQFORATP-ROUUACIJSA-N 1 2 451.593 -0.305 20 0 JBADLO C[C@@H](C(=O)N1CCC[C@@H](C(N)=O)C1)[NH+]1CCN(CCNS(=O)(=O)c2ccccc2)CC1 ZINC001655172654 1069901395 /nfs/dbraw/zinc/90/13/95/1069901395.db2.gz MPWZVYMQFORATP-ZWKOTPCHSA-N 1 2 451.593 -0.305 20 0 JBADLO COC(=O)[C@@]1(O)CC[N@H+]([C@H](C)C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)C1 ZINC001655430806 1069902177 /nfs/dbraw/zinc/90/21/77/1069902177.db2.gz GOOGICKKELGWEY-FOIQADDNSA-N 1 2 455.533 -0.047 20 0 JBADLO COC(=O)[C@@]1(O)CC[N@@H+]([C@H](C)C(=O)Nc2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)C1 ZINC001655430806 1069902173 /nfs/dbraw/zinc/90/21/73/1069902173.db2.gz GOOGICKKELGWEY-FOIQADDNSA-N 1 2 455.533 -0.047 20 0 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CCS(=O)(=O)C1(CNC(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CC1 ZINC001675544699 1069964258 /nfs/dbraw/zinc/96/42/58/1069964258.db2.gz SXWDAVWDFCMGOQ-UHFFFAOYSA-N 1 2 459.594 -0.200 20 0 JBADLO CN(C[C@@H](O)C[NH+]1CCOCC1)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC001675856349 1069964889 /nfs/dbraw/zinc/96/48/89/1069964889.db2.gz RVKPZTCYHNIMIW-GOSISDBHSA-N 1 2 456.565 -0.458 20 0 JBADLO CN(C[C@H](O)C[NH+]1CCOCC1)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1 ZINC001675856350 1069964912 /nfs/dbraw/zinc/96/49/12/1069964912.db2.gz RVKPZTCYHNIMIW-SFHVURJKSA-N 1 2 456.565 -0.458 20 0 JBADLO CCS(=O)(=O)N(C)CCCNC(=O)N1CCN(c2cc(N3CCOCC3)[nH+]cn2)CC1 ZINC001676390529 1069966030 /nfs/dbraw/zinc/96/60/30/1069966030.db2.gz QOWPPZLZPWQWOD-UHFFFAOYSA-N 1 2 455.585 -0.184 20 0 JBADLO CCS(=O)(=O)N(C)CCCNC(=O)N1CCN(c2cc(N3CCOCC3)nc[nH+]2)CC1 ZINC001676390529 1069966026 /nfs/dbraw/zinc/96/60/26/1069966026.db2.gz QOWPPZLZPWQWOD-UHFFFAOYSA-N 1 2 455.585 -0.184 20 0 JBADLO CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)N3CC4(C3)NC(=O)NC4=O)cc2)CC1 ZINC001676869559 1069966720 /nfs/dbraw/zinc/96/67/20/1069966720.db2.gz IWLNVYSGEWUZHT-UHFFFAOYSA-N 1 2 458.519 -0.625 20 0 JBADLO CS(=O)(=O)N1CCC(NC(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)CC1 ZINC001677162596 1069967354 /nfs/dbraw/zinc/96/73/54/1069967354.db2.gz FKKCOYXXRPAXHW-UHFFFAOYSA-N 1 2 453.569 -0.431 20 0 JBADLO CS(=O)(=O)N1CCC(NC(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)CC1 ZINC001677162596 1069967351 /nfs/dbraw/zinc/96/73/51/1069967351.db2.gz FKKCOYXXRPAXHW-UHFFFAOYSA-N 1 2 453.569 -0.431 20 0 JBADLO CN(CCCNC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)S(C)(=O)=O ZINC001677170826 1069967385 /nfs/dbraw/zinc/96/73/85/1069967385.db2.gz ZZKWWNHWCPHLPC-INIZCTEOSA-N 1 2 455.585 -0.137 20 0 JBADLO CN(CCCNC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)S(C)(=O)=O ZINC001677170826 1069967381 /nfs/dbraw/zinc/96/73/81/1069967381.db2.gz ZZKWWNHWCPHLPC-INIZCTEOSA-N 1 2 455.585 -0.137 20 0 JBADLO CN(CCCNC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)S(C)(=O)=O ZINC001677170827 1069967265 /nfs/dbraw/zinc/96/72/65/1069967265.db2.gz ZZKWWNHWCPHLPC-MRXNPFEDSA-N 1 2 455.585 -0.137 20 0 JBADLO CN(CCCNC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)S(C)(=O)=O ZINC001677170827 1069967260 /nfs/dbraw/zinc/96/72/60/1069967260.db2.gz ZZKWWNHWCPHLPC-MRXNPFEDSA-N 1 2 455.585 -0.137 20 0 JBADLO CS(=O)(=O)N1CCC[C@H](NC(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)C1 ZINC001677270743 1069967327 /nfs/dbraw/zinc/96/73/27/1069967327.db2.gz YFGULBONDZZIKT-INIZCTEOSA-N 1 2 453.569 -0.431 20 0 JBADLO CS(=O)(=O)N1CCC[C@H](NC(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)C1 ZINC001677270743 1069967323 /nfs/dbraw/zinc/96/73/23/1069967323.db2.gz YFGULBONDZZIKT-INIZCTEOSA-N 1 2 453.569 -0.431 20 0 JBADLO CS(=O)(=O)N1CCC[C@@H](NC(=O)N2CCN(c3cc(N4CCOCC4)[nH+]cn3)CC2)C1 ZINC001677270744 1069967294 /nfs/dbraw/zinc/96/72/94/1069967294.db2.gz YFGULBONDZZIKT-MRXNPFEDSA-N 1 2 453.569 -0.431 20 0 JBADLO CS(=O)(=O)N1CCC[C@@H](NC(=O)N2CCN(c3cc(N4CCOCC4)nc[nH+]3)CC2)C1 ZINC001677270744 1069967291 /nfs/dbraw/zinc/96/72/91/1069967291.db2.gz YFGULBONDZZIKT-MRXNPFEDSA-N 1 2 453.569 -0.431 20 0 JBADLO Cc1ccc(C(=O)NCCNC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)cc1 ZINC001677626141 1069968115 /nfs/dbraw/zinc/96/81/15/1069968115.db2.gz ICRKIIVJWDVPNE-UHFFFAOYSA-N 1 2 452.581 -0.456 20 0 JBADLO CNC(=O)c1cccc(CCNC(=O)N2CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC2)c1 ZINC001677950859 1069968681 /nfs/dbraw/zinc/96/86/81/1069968681.db2.gz AROORWGCQQCXQM-UHFFFAOYSA-N 1 2 452.581 -0.592 20 0 JBADLO CC(=O)N1CC[NH+](CCOc2ccc(CCNC(=O)N3CC(S(N)(=O)=O)C3)cc2)CC1 ZINC001678146302 1069969909 /nfs/dbraw/zinc/96/99/09/1069969909.db2.gz JLBFUUBDKJZYQO-UHFFFAOYSA-N 1 2 453.565 -0.546 20 0 JBADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)NCCS(=O)(=O)NC[C@@H]2CCCCO2)CC1 ZINC001678369926 1069970500 /nfs/dbraw/zinc/97/05/00/1069970500.db2.gz IUDHUZDUWXNPGZ-INIZCTEOSA-N 1 2 454.615 -0.717 20 0 JBADLO CS(=O)(=O)CC[NH+]1CCC(NC(=O)NCCS(=O)(=O)NC[C@H]2CCCCO2)CC1 ZINC001678369934 1069970569 /nfs/dbraw/zinc/97/05/69/1069970569.db2.gz IUDHUZDUWXNPGZ-MRXNPFEDSA-N 1 2 454.615 -0.717 20 0 JBADLO O=C(CCNC(=O)N1CC[NH+](CCc2cnccn2)CC1)N1CCN(c2ncccn2)CC1 ZINC001678441859 1069970465 /nfs/dbraw/zinc/97/04/65/1069970465.db2.gz LQARAUYZQKLMQE-UHFFFAOYSA-N 1 2 453.551 -0.125 20 0 JBADLO CC(C)(CNC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)NS(C)(=O)=O ZINC001678668188 1069971211 /nfs/dbraw/zinc/97/12/11/1069971211.db2.gz JYILVYZYMFZIOX-HNNXBMFYSA-N 1 2 455.585 -0.091 20 0 JBADLO CC(C)(CNC(=O)N[C@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)NS(C)(=O)=O ZINC001678668188 1069971203 /nfs/dbraw/zinc/97/12/03/1069971203.db2.gz JYILVYZYMFZIOX-HNNXBMFYSA-N 1 2 455.585 -0.091 20 0 JBADLO CC(C)(CNC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)[nH+]cn2)C1)NS(C)(=O)=O ZINC001678668189 1069971321 /nfs/dbraw/zinc/97/13/21/1069971321.db2.gz JYILVYZYMFZIOX-OAHLLOKOSA-N 1 2 455.585 -0.091 20 0 JBADLO CC(C)(CNC(=O)N[C@@H]1CCCN(c2cc(N3CCOCC3)nc[nH+]2)C1)NS(C)(=O)=O ZINC001678668189 1069971317 /nfs/dbraw/zinc/97/13/17/1069971317.db2.gz JYILVYZYMFZIOX-OAHLLOKOSA-N 1 2 455.585 -0.091 20 0 JBADLO COc1ccc2c(c1)OC[C@@H](NC(=O)N1CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC1)C2 ZINC001679802690 1069973742 /nfs/dbraw/zinc/97/37/42/1069973742.db2.gz KDLKNHARSAWJSS-KRWDZBQOSA-N 1 2 453.565 -0.182 20 0 JBADLO COc1ccc2c(c1)OC[C@H](NC(=O)N1CCN(S(=O)(=O)N3CC[NH+](C)CC3)CC1)C2 ZINC001679802691 1069974518 /nfs/dbraw/zinc/97/45/18/1069974518.db2.gz KDLKNHARSAWJSS-QGZVFWFLSA-N 1 2 453.565 -0.182 20 0 JBADLO CCOC1CC(CNC(=O)N2CCN(S(=O)(=O)c3cc[nH]n3)CC2)([NH+]2CCOCC2)C1 ZINC001680719691 1069976369 /nfs/dbraw/zinc/97/63/69/1069976369.db2.gz KDAIXWLRWJKVHR-UHFFFAOYSA-N 1 2 456.569 -0.305 20 0 JBADLO COC(=O)C[C@H]1CN(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CCO1 ZINC001681524148 1069977745 /nfs/dbraw/zinc/97/77/45/1069977745.db2.gz BAZQRSHSXHLFPK-INIZCTEOSA-N 1 2 455.537 -0.493 20 0 JBADLO COC(=O)C[C@@H]1CN(C(=O)NCCS(=O)(=O)N2CCN(c3cccc[nH+]3)CC2)CCO1 ZINC001681524149 1069977568 /nfs/dbraw/zinc/97/75/68/1069977568.db2.gz BAZQRSHSXHLFPK-MRXNPFEDSA-N 1 2 455.537 -0.493 20 0 JBADLO O=C(NCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC001681524279 1069977720 /nfs/dbraw/zinc/97/77/20/1069977720.db2.gz DAQHHUIGHODJSV-HDICACEKSA-N 1 2 452.581 -0.304 20 0 JBADLO O=C(NCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC001681524279 1069977715 /nfs/dbraw/zinc/97/77/15/1069977715.db2.gz DAQHHUIGHODJSV-HDICACEKSA-N 1 2 452.581 -0.304 20 0 JBADLO O=C(NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1)N1CCC2(CCNC2=O)CC1 ZINC001681524365 1069977621 /nfs/dbraw/zinc/97/76/21/1069977621.db2.gz DYIXXEFNWKDGQD-UHFFFAOYSA-N 1 2 450.565 -0.155 20 0 JBADLO CC[C@@H]1COCC[N@H+]1CCNC(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC001681524589 1069977608 /nfs/dbraw/zinc/97/76/08/1069977608.db2.gz IZFOOFIAFRGPAS-GOSISDBHSA-N 1 2 454.597 -0.057 20 0 JBADLO CC[C@@H]1COCC[N@@H+]1CCNC(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC001681524589 1069977602 /nfs/dbraw/zinc/97/76/02/1069977602.db2.gz IZFOOFIAFRGPAS-GOSISDBHSA-N 1 2 454.597 -0.057 20 0 JBADLO CC[C@H]1COCC[N@H+]1CCNC(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC001681524590 1069977587 /nfs/dbraw/zinc/97/75/87/1069977587.db2.gz IZFOOFIAFRGPAS-SFHVURJKSA-N 1 2 454.597 -0.057 20 0 JBADLO CC[C@H]1COCC[N@@H+]1CCNC(=O)NCCS(=O)(=O)N1CCN(c2ccccn2)CC1 ZINC001681524590 1069977583 /nfs/dbraw/zinc/97/75/83/1069977583.db2.gz IZFOOFIAFRGPAS-SFHVURJKSA-N 1 2 454.597 -0.057 20 0 JBADLO C[C@H]1CS(=O)(=O)CCCN1C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001681524617 1069977641 /nfs/dbraw/zinc/97/76/41/1069977641.db2.gz KBVKYMKRFLHBFI-INIZCTEOSA-N 1 2 459.594 -0.248 20 0 JBADLO C[C@@H]1CS(=O)(=O)CCCN1C(=O)NCCS(=O)(=O)N1CCN(c2cccc[nH+]2)CC1 ZINC001681524618 1069977673 /nfs/dbraw/zinc/97/76/73/1069977673.db2.gz KBVKYMKRFLHBFI-MRXNPFEDSA-N 1 2 459.594 -0.248 20 0 JBADLO 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