smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name Cc1cccc(O[C@@H](C)C(=O)NC[C@@H](c2ccco2)[NH+](C)C)c1C ZINC000009486349 201779276 /nfs/dbraw/zinc/77/92/76/201779276.db2.gz YPDXPOBFBINYLX-HOTGVXAUSA-N 1 1 330.428 3.083 50 0 EGAAMO O=C(c1ccncc1)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000019773622 202019119 /nfs/dbraw/zinc/01/91/19/202019119.db2.gz HRCCGXNKEKGFCU-UHFFFAOYSA-N 1 1 331.419 3.193 50 0 EGAAMO COc1cccc(C[NH+]2CCN(Cc3ccccc3OC)CC2)c1 ZINC000019781620 202019740 /nfs/dbraw/zinc/01/97/40/202019740.db2.gz YODAOYJBZHHYJY-UHFFFAOYSA-N 1 1 326.440 3.022 50 0 EGAAMO COc1cccc(CN2CC[NH+](Cc3ccccc3OC)CC2)c1 ZINC000019781620 202019742 /nfs/dbraw/zinc/01/97/42/202019742.db2.gz YODAOYJBZHHYJY-UHFFFAOYSA-N 1 1 326.440 3.022 50 0 EGAAMO Clc1ccc2nc(C[N@H+]3CCC[C@H](N4CCOCC4)C3)ccc2c1 ZINC000020599715 202050216 /nfs/dbraw/zinc/05/02/16/202050216.db2.gz AFHPIGOAXYFGFY-SFHVURJKSA-N 1 1 345.874 3.185 50 0 EGAAMO C[N@@H+](Cc1ccccc1)[C@@H]1CCCN(Cc2ccc3nonc3c2)C1 ZINC000023373289 202103096 /nfs/dbraw/zinc/10/30/96/202103096.db2.gz YPWDMHLBWXWMFV-GOSISDBHSA-N 1 1 336.439 3.319 50 0 EGAAMO Cn1cc(-c2cccc(-c3ccn(CC[C@H]4CCC[N@H+]4C)n3)c2)cn1 ZINC000023619539 202105389 /nfs/dbraw/zinc/10/53/89/202105389.db2.gz VVUISSKUXKRDQG-LJQANCHMSA-N 1 1 335.455 3.435 50 0 EGAAMO C[C@H]1CNC(=O)CC[N@H+]1Cc1cnc(-c2cccc3ccccc32)nc1 ZINC000067725498 202276580 /nfs/dbraw/zinc/27/65/80/202276580.db2.gz KDJNEJMUZXHMOI-HNNXBMFYSA-N 1 1 346.434 3.007 50 0 EGAAMO Cc1c2ccccc2[nH]c1CN1CC[N@@H+](CC(C)(C)C)[C@H](CCO)C1 ZINC000036379398 202324230 /nfs/dbraw/zinc/32/42/30/202324230.db2.gz HDHBLVUOVNXRSB-QGZVFWFLSA-N 1 1 343.515 3.391 50 0 EGAAMO CN(C)c1ccc(C(=O)N2[C@@H]3CC[C@H]2C[N@@H+](C)CC3)c2ccccc21 ZINC000219625469 241399432 /nfs/dbraw/zinc/39/94/32/241399432.db2.gz KQZBOKRBKZEYJE-CVEARBPZSA-N 1 1 337.467 3.215 50 0 EGAAMO O=C(c1ccccn1)[C@@H]1CCC[N@@H+](CCn2cnc3ccccc32)C1 ZINC000244715782 243061993 /nfs/dbraw/zinc/06/19/93/243061993.db2.gz LCEAGOKWLMXSOR-MRXNPFEDSA-N 1 1 334.423 3.026 50 0 EGAAMO CCc1ccc(NC(=O)CCN(C)CC[N@H+]2CCCC[C@H]2C)cc1 ZINC000244763982 243077519 /nfs/dbraw/zinc/07/75/19/243077519.db2.gz OZCRWIDYRCWZHN-QGZVFWFLSA-N 1 1 331.504 3.384 50 0 EGAAMO CCn1cc(C[N@H+]2CCC[C@@H](N3CCCC3=O)C2)c2ccccc21 ZINC000071767870 203111997 /nfs/dbraw/zinc/11/19/97/203111997.db2.gz FNFLEQLKWTZJRK-QGZVFWFLSA-N 1 1 325.456 3.248 50 0 EGAAMO CC[C@@H]1C[N@@H+](CCc2ccccn2)CCC(=O)N1Cc1ccccc1 ZINC000071749168 203106067 /nfs/dbraw/zinc/10/60/67/203106067.db2.gz LFFXUKAPYOJDNS-HXUWFJFHSA-N 1 1 337.467 3.137 50 0 EGAAMO CCc1[nH+]ccn1CC(=O)N1CCC[C@H](CCc2ccc(F)cc2)C1 ZINC000071753192 203107929 /nfs/dbraw/zinc/10/79/29/203107929.db2.gz CHCSGPNEFKLXKG-QGZVFWFLSA-N 1 1 343.446 3.456 50 0 EGAAMO c1ccc(OCC[N@H+](Cc2cccnc2)[C@H]2CN3CCC2CC3)cc1 ZINC000072148334 203171854 /nfs/dbraw/zinc/17/18/54/203171854.db2.gz ADRLUVKDYYJPLJ-NRFANRHFSA-N 1 1 337.467 3.057 50 0 EGAAMO c1ccc(OCC[N@@H+](Cc2cccnc2)[C@H]2CN3CCC2CC3)cc1 ZINC000072148334 203171858 /nfs/dbraw/zinc/17/18/58/203171858.db2.gz ADRLUVKDYYJPLJ-NRFANRHFSA-N 1 1 337.467 3.057 50 0 EGAAMO Cc1nc([C@H]2CCC[N@@H+](Cc3ccnc4ccccc34)C2)cc(=O)[nH]1 ZINC000072155004 203174833 /nfs/dbraw/zinc/17/48/33/203174833.db2.gz IBODSAFBHXBEPX-INIZCTEOSA-N 1 1 334.423 3.006 50 0 EGAAMO Cc1cnn(CCC[N@H+]2CCC[C@H](C(=O)Cc3ccccc3)C2)c1 ZINC000072159373 203176039 /nfs/dbraw/zinc/17/60/39/203176039.db2.gz KKKSHLXBWFLKGF-IBGZPJMESA-N 1 1 325.456 3.105 50 0 EGAAMO Cc1nn(C)c(C)c1CN1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000072167648 203179896 /nfs/dbraw/zinc/17/98/96/203179896.db2.gz PHLQPNFKPUSPOA-UHFFFAOYSA-N 1 1 340.515 3.177 50 0 EGAAMO COc1ccc(F)c(F)c1CN1CCC[N@@H+](Cc2cccnc2)CC1 ZINC000072174109 203181908 /nfs/dbraw/zinc/18/19/08/203181908.db2.gz QJIQJQVSYHTPFX-UHFFFAOYSA-N 1 1 347.409 3.076 50 0 EGAAMO C[C@H]1C[NH+](CCOCCOc2ccc3ccccc3c2)C[C@H](C)O1 ZINC000020167965 212108320 /nfs/dbraw/zinc/10/83/20/212108320.db2.gz PDFAZMXGVWNSNL-IRXDYDNUSA-N 1 1 329.440 3.344 50 0 EGAAMO COc1cccc(CN2CC[N@@H+](C)C[C@@H]2c2ccccc2)c1OC ZINC000020166724 212108517 /nfs/dbraw/zinc/10/85/17/212108517.db2.gz UQLYIKOUEGDMJO-GOSISDBHSA-N 1 1 326.440 3.193 50 0 EGAAMO Cc1nccn1CC[C@@H]1CCCC[N@H+]1Cc1ccc2c(c1)OCCO2 ZINC000077356688 203383350 /nfs/dbraw/zinc/38/33/50/203383350.db2.gz ZQRNGPYYWPQDPQ-SFHVURJKSA-N 1 1 341.455 3.408 50 0 EGAAMO c1cnn(Cc2ccc(CN3CCC[N@H+](C4CCCC4)CC3)cc2)c1 ZINC000077537320 203394120 /nfs/dbraw/zinc/39/41/20/203394120.db2.gz UHKHSXQVCMXHTN-UHFFFAOYSA-N 1 1 338.499 3.382 50 0 EGAAMO CO[C@@H]1CC[C@@]2(OC)CC[N@@H+](Cc3ccc4c(ccn4C)c3)[C@H]2C1 ZINC000426580760 257962421 /nfs/dbraw/zinc/96/24/21/257962421.db2.gz LGXPYAOJPBRRTQ-YZGWKJHDSA-N 1 1 328.456 3.337 50 0 EGAAMO Cn1cccc1C(=O)NC[C@H](c1ccc(Cl)cc1)[NH+]1CCCC1 ZINC000299774946 258085261 /nfs/dbraw/zinc/08/52/61/258085261.db2.gz JSGYVRYBHWHRIK-QGZVFWFLSA-N 1 1 331.847 3.245 50 0 EGAAMO O=C(N[C@@H]1CCC[N@H+](C2CCCC2)C1)c1cccc(-c2ncc[nH]2)c1 ZINC000299760335 258077038 /nfs/dbraw/zinc/07/70/38/258077038.db2.gz QHFVEFRMDQOGSO-QGZVFWFLSA-N 1 1 338.455 3.214 50 0 EGAAMO COc1cccc(C(=O)NCC[N@H+]2CC[C@H](c3ccccc3C)C2)c1 ZINC000240662381 278007600 /nfs/dbraw/zinc/00/76/00/278007600.db2.gz PKNFKKOJNHFPGT-SFHVURJKSA-N 1 1 338.451 3.223 50 0 EGAAMO c1ccc(C(c2ccccc2)N2CCN(C[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000060048661 280478454 /nfs/dbraw/zinc/47/84/54/280478454.db2.gz VNDVISUTMASKQP-FQEVSTJZSA-N 1 1 349.522 3.393 50 0 EGAAMO Cc1cc(N2CCCN(C(=O)c3cccc(Cl)c3)CC2)nc(C)[nH+]1 ZINC000057141606 280549218 /nfs/dbraw/zinc/54/92/18/280549218.db2.gz JKYQKBSLJDRJJX-UHFFFAOYSA-N 1 1 344.846 3.099 50 0 EGAAMO COc1cc(Cl)c(CN2CC([N@H+]3CCCC[C@H]3C)C2)cc1OC ZINC000240163552 455263844 /nfs/dbraw/zinc/26/38/44/455263844.db2.gz JBXBQMBRPRLAEJ-CYBMUJFWSA-N 1 1 338.879 3.416 50 0 EGAAMO COc1ccc(C[N@H+]2CCC[C@H](C(=O)N3CCCCCC3)C2)cc1 ZINC000000212095 452537168 /nfs/dbraw/zinc/53/71/68/452537168.db2.gz BXUMZSCTKAQEKH-SFHVURJKSA-N 1 1 330.472 3.310 50 0 EGAAMO Clc1ccc(N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)cc1 ZINC000000292044 452554616 /nfs/dbraw/zinc/55/46/16/452554616.db2.gz RGOIDEZNTLCEEO-UHFFFAOYSA-N 1 1 330.815 3.391 50 0 EGAAMO COC(=O)c1[nH]c2ccccc2c1NC(=O)C[N@@H+]1CCCC(C)(C)C1 ZINC000000546771 452619664 /nfs/dbraw/zinc/61/96/64/452619664.db2.gz UORHIZXJKBSAQY-UHFFFAOYSA-N 1 1 343.427 3.015 50 0 EGAAMO COC(=O)c1[nH]c2ccccc2c1NC(=O)C[N@H+]1CCCC(C)(C)C1 ZINC000000546771 452619670 /nfs/dbraw/zinc/61/96/70/452619670.db2.gz UORHIZXJKBSAQY-UHFFFAOYSA-N 1 1 343.427 3.015 50 0 EGAAMO CCOC(=O)c1cccc(C(=O)c2cccc(C[NH+]3CC=CC3)c2)c1 ZINC000002515387 452702001 /nfs/dbraw/zinc/70/20/01/452702001.db2.gz MVPJWTIULKUTGE-UHFFFAOYSA-N 1 1 335.403 3.466 50 0 EGAAMO CCOC(=O)[C@@H]1CCC[N@@H+](CCCOc2cccc(Cl)c2)C1 ZINC000006703222 452974401 /nfs/dbraw/zinc/97/44/01/452974401.db2.gz ODZMSERAZVSQKF-CQSZACIVSA-N 1 1 325.836 3.384 50 0 EGAAMO CCOC(=O)[C@]1(Cc2ccccc2)CCC[N@@H+](Cc2[nH]cnc2C)C1 ZINC000011934713 453339694 /nfs/dbraw/zinc/33/96/94/453339694.db2.gz PKXLKSVQUWHYJE-FQEVSTJZSA-N 1 1 341.455 3.106 50 0 EGAAMO CC[N@@H+](CCn1cccn1)Cc1cn(C)nc1-c1cccc(Cl)c1 ZINC000012057644 453341967 /nfs/dbraw/zinc/34/19/67/453341967.db2.gz RMGHOFSZMZIASE-UHFFFAOYSA-N 1 1 343.862 3.459 50 0 EGAAMO C[N@H+]1CCCC[C@H]1C(=O)NCc1cccnc1Oc1ccccc1F ZINC000012387837 453359418 /nfs/dbraw/zinc/35/94/18/453359418.db2.gz IKPVPPQXTJCFFU-INIZCTEOSA-N 1 1 343.402 3.114 50 0 EGAAMO OCCOc1ccccc1C[N@H+]1CCC[C@H](Nc2ccc(F)cc2)C1 ZINC000014980475 453549310 /nfs/dbraw/zinc/54/93/10/453549310.db2.gz MSCYHVWPIXHPBB-IBGZPJMESA-N 1 1 344.430 3.273 50 0 EGAAMO CCOC(=O)[C@@H]1CCC[N@@H+](CCCOc2ccccc2Cl)C1 ZINC000016527055 453611056 /nfs/dbraw/zinc/61/10/56/453611056.db2.gz JZFBWTAJYYSSFX-CQSZACIVSA-N 1 1 325.836 3.384 50 0 EGAAMO O=C(c1ccc(Cl)cc1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000016605309 453615928 /nfs/dbraw/zinc/61/59/28/453615928.db2.gz XZXBSZWAYCZSGC-UHFFFAOYSA-N 1 1 328.843 3.341 50 0 EGAAMO CC(C)n1ccc(C[N@H+]2CC[C@@H](CNC(=O)c3cccc(O)c3)C2)c1 ZINC000067739457 453961327 /nfs/dbraw/zinc/96/13/27/453961327.db2.gz GZHQKOQDFCOHAF-INIZCTEOSA-N 1 1 341.455 3.027 50 0 EGAAMO Cc1ccc(C)c(C[N@H+]2CC[C@H](CNC(=O)c3ccc(O)cc3)C2)c1 ZINC000067741126 453961738 /nfs/dbraw/zinc/96/17/38/453961738.db2.gz WRWWIVFWXQKMPO-QGZVFWFLSA-N 1 1 338.451 3.261 50 0 EGAAMO CC(C)c1cc(C2CCN(C(=O)CC[N@H+]3C[C@@H]4CC[C@H]3C4)CC2)[nH]n1 ZINC000067787854 453965935 /nfs/dbraw/zinc/96/59/35/453965935.db2.gz FOKAXZCLSZGQEO-WBVHZDCISA-N 1 1 344.503 3.114 50 0 EGAAMO CC(C)c1cc(C2CCN(C(=O)CC[N@@H+]3C[C@@H]4CC[C@H]3C4)CC2)n[nH]1 ZINC000067787854 453965937 /nfs/dbraw/zinc/96/59/37/453965937.db2.gz FOKAXZCLSZGQEO-WBVHZDCISA-N 1 1 344.503 3.114 50 0 EGAAMO CC(C)c1cc(C2CCN(C(=O)CC[N@H+]3C[C@@H]4CC[C@H]3C4)CC2)n[nH]1 ZINC000067787854 453965942 /nfs/dbraw/zinc/96/59/42/453965942.db2.gz FOKAXZCLSZGQEO-WBVHZDCISA-N 1 1 344.503 3.114 50 0 EGAAMO Cc1cccc2cc(C[N@H+]3CCCC[C@H]3c3ccn(C)n3)c(=O)[nH]c12 ZINC000067790546 453966579 /nfs/dbraw/zinc/96/65/79/453966579.db2.gz MFANUQMSWKPGDB-SFHVURJKSA-N 1 1 336.439 3.297 50 0 EGAAMO Cc1cccc2cc(C[N@@H+]3CCCC[C@H]3c3ccn(C)n3)c(=O)[nH]c12 ZINC000067790546 453966582 /nfs/dbraw/zinc/96/65/82/453966582.db2.gz MFANUQMSWKPGDB-SFHVURJKSA-N 1 1 336.439 3.297 50 0 EGAAMO CC(C)(C)OC(=O)NC1CC[NH+](Cc2ccc(F)cc2F)CC1 ZINC000067801006 453967658 /nfs/dbraw/zinc/96/76/58/453967658.db2.gz WWJLGWIKXWZNIR-UHFFFAOYSA-N 1 1 326.387 3.454 50 0 EGAAMO c1cc2n(c1)-c1cc3c(cc1C[NH2+][C@@H]2c1ccc2c(c1)OCO2)OCO3 ZINC000055231385 453971311 /nfs/dbraw/zinc/97/13/11/453971311.db2.gz IKDYMXDTZYMASS-HXUWFJFHSA-N 1 1 348.358 3.127 50 0 EGAAMO Cc1cccc2[nH]c([C@@H]3CCC[N@@H+](Cc4ccc(CO)o4)C3)nc21 ZINC000067847173 453972319 /nfs/dbraw/zinc/97/23/19/453972319.db2.gz WMTIYFVTIUUDTP-CQSZACIVSA-N 1 1 325.412 3.336 50 0 EGAAMO Cc1cccc2nc([C@@H]3CCC[N@H+](Cc4ccc(CO)o4)C3)[nH]c21 ZINC000067847173 453972323 /nfs/dbraw/zinc/97/23/23/453972323.db2.gz WMTIYFVTIUUDTP-CQSZACIVSA-N 1 1 325.412 3.336 50 0 EGAAMO Cc1cccc2nc([C@@H]3CCC[N@@H+](Cc4ccc(CO)o4)C3)[nH]c21 ZINC000067847173 453972329 /nfs/dbraw/zinc/97/23/29/453972329.db2.gz WMTIYFVTIUUDTP-CQSZACIVSA-N 1 1 325.412 3.336 50 0 EGAAMO Cc1ccc2c(cc(C[N@H+]3CC[C@@H](CNC(=O)CC4CC4)C3)n2C)c1 ZINC000067893970 453978169 /nfs/dbraw/zinc/97/81/69/453978169.db2.gz PABNWWDTSQIWEU-KRWDZBQOSA-N 1 1 339.483 3.225 50 0 EGAAMO O=C(Nc1cnc2n1CCCC2)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000067909549 453979463 /nfs/dbraw/zinc/97/94/63/453979463.db2.gz CCRXXYYTQMZQFQ-QGZVFWFLSA-N 1 1 338.455 3.213 50 0 EGAAMO O=C(Nc1cnc2n1CCCC2)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000067909549 453979464 /nfs/dbraw/zinc/97/94/64/453979464.db2.gz CCRXXYYTQMZQFQ-QGZVFWFLSA-N 1 1 338.455 3.213 50 0 EGAAMO Cc1cc(C)c(S(=O)(=O)NCCC[N@@H+]2CCC[C@@H](C)C2)c(C)c1 ZINC000058178578 454168338 /nfs/dbraw/zinc/16/83/38/454168338.db2.gz JKBWTGPHBINSKU-CQSZACIVSA-N 1 1 338.517 3.012 50 0 EGAAMO O=C(C1CCCCC1)N1C[C@H]2CC[C@@H]1C[N@@H+](Cc1ccccn1)C2 ZINC000095371215 454198304 /nfs/dbraw/zinc/19/83/04/454198304.db2.gz SZLSXBZXHHUPAQ-QFBILLFUSA-N 1 1 327.472 3.085 50 0 EGAAMO c1cn(Cc2cscn2)c([C@@H]2CCCN(c3ccccn3)C2)[nH+]1 ZINC000095382803 454200097 /nfs/dbraw/zinc/20/00/97/454200097.db2.gz UZJAZDDGVVVNEH-CQSZACIVSA-N 1 1 325.441 3.167 50 0 EGAAMO CCCn1nc(C)c(CNC(=O)[C@H](c2ccc(C)cc2)[NH+](C)C)c1C ZINC000095388644 454200326 /nfs/dbraw/zinc/20/03/26/454200326.db2.gz YDWKVEXIAXBPLI-IBGZPJMESA-N 1 1 342.487 3.137 50 0 EGAAMO c1ccc(C(c2ccccc2)N2CCN(C[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000060048659 454267144 /nfs/dbraw/zinc/26/71/44/454267144.db2.gz VNDVISUTMASKQP-HXUWFJFHSA-N 1 1 349.522 3.393 50 0 EGAAMO COc1c(C)cnc(C[N@H+]2CCCC[C@@H]2CCN2CCCC2=O)c1C ZINC000072156579 454272864 /nfs/dbraw/zinc/27/28/64/454272864.db2.gz IELRRRFHEJYPQW-QGZVFWFLSA-N 1 1 345.487 3.074 50 0 EGAAMO C[N@H+]1CCCCC[C@H]1C(=O)NCCc1cccc(C(F)(F)F)c1 ZINC000097155801 454416972 /nfs/dbraw/zinc/41/69/72/454416972.db2.gz DZKJQQHJLNJXSV-HNNXBMFYSA-N 1 1 328.378 3.239 50 0 EGAAMO CCc1nc(C[NH2+]Cc2cc(=O)c3cccc(Cl)c3[nH]2)cs1 ZINC000091321081 454427528 /nfs/dbraw/zinc/42/75/28/454427528.db2.gz SCUYRUVAZAEBPH-UHFFFAOYSA-N 1 1 333.844 3.490 50 0 EGAAMO O=C(C1CCC1)N1C[C@H]2CC[C@H](C[N@@H+]2Cc2ccc3[nH]ccc3c2)C1 ZINC000091504363 454441902 /nfs/dbraw/zinc/44/19/02/454441902.db2.gz QNKUIPPCJNWJDU-VQIMIIECSA-N 1 1 337.467 3.391 50 0 EGAAMO C[C@@H]1CCCC[N@H+]1C1CN(Cc2cc(=O)c3cc(F)ccc3[nH]2)C1 ZINC000091518870 454443283 /nfs/dbraw/zinc/44/32/83/454443283.db2.gz HLJKIMSYOXMYEQ-CYBMUJFWSA-N 1 1 329.419 3.138 50 0 EGAAMO Fc1cnccc1N1CCC(c2[nH+]ccn2Cc2ccncc2)CC1 ZINC000091603366 454448742 /nfs/dbraw/zinc/44/87/42/454448742.db2.gz UQDAMOZMZIQURK-UHFFFAOYSA-N 1 1 337.402 3.245 50 0 EGAAMO C[N@H+]1CCCCC[C@H]1C(=O)NCc1ccccc1OC(F)(F)F ZINC000091616784 454449948 /nfs/dbraw/zinc/44/99/48/454449948.db2.gz QHYINATZQVJKBT-ZDUSSCGKSA-N 1 1 330.350 3.076 50 0 EGAAMO Cc1cc2cc(C(=O)N3CC[NH+](CCn4cccc4)CC3)ccc2o1 ZINC000091636124 454454246 /nfs/dbraw/zinc/45/42/46/454454246.db2.gz DNTSUIXJVTZHNA-UHFFFAOYSA-N 1 1 337.423 3.001 50 0 EGAAMO OCCCC1=NC2=[NH+]C(c3ccccc3)=C[C@H](c3ccccc3)N2N1 ZINC000100429920 454465710 /nfs/dbraw/zinc/46/57/10/454465710.db2.gz XATKXXCDPPBZLW-GOSISDBHSA-N 1 1 332.407 3.130 50 0 EGAAMO O=C(C1CCOCC1)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000106903494 454730556 /nfs/dbraw/zinc/73/05/56/454730556.db2.gz AIVGRMJDKOEQFS-VQTJNVASSA-N 1 1 342.483 3.069 50 0 EGAAMO O=C(NC[C@H]1CCC[N@H+]2CCCC[C@@H]12)c1cc(-c2cccs2)n[nH]1 ZINC000169681015 454930658 /nfs/dbraw/zinc/93/06/58/454930658.db2.gz KDFCASYVFGRIMK-CJNGLKHVSA-N 1 1 344.484 3.133 50 0 EGAAMO CCOc1cc(CN2C[C@H]3CC[C@@H](C2)[N@@H+](C)C3)c(Cl)cc1OC ZINC000215935433 456026781 /nfs/dbraw/zinc/02/67/81/456026781.db2.gz SFUDMLGMWBXEDL-ZFWWWQNUSA-N 1 1 338.879 3.273 50 0 EGAAMO CCOC(=O)c1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@H]1N2CC(F)(F)F ZINC000299872864 456782180 /nfs/dbraw/zinc/78/21/80/456782180.db2.gz WEHWZLFXMFRHBE-DZGCQCFKSA-N 1 1 342.361 3.033 50 0 EGAAMO Cc1cc(-c2ccc(C(=O)N(C)[C@@H]3CC[N@@H+](C)C3)cc2)cc(C)c1O ZINC000426578885 457857287 /nfs/dbraw/zinc/85/72/87/457857287.db2.gz WPHMVSKMNNBHMC-LJQANCHMSA-N 1 1 338.451 3.452 50 0 EGAAMO Cc1nccnc1N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccc(F)cc1)C2 ZINC000426619986 457863449 /nfs/dbraw/zinc/86/34/49/457863449.db2.gz GBXAOEYDYIKGMP-FQEVSTJZSA-N 1 1 340.446 3.417 50 0 EGAAMO Cc1[nH+]ccn1CCC(=O)NCC1(c2ccccc2F)CCCC1 ZINC000534636359 459340286 /nfs/dbraw/zinc/34/02/86/459340286.db2.gz HKVRFFXAJUYWEP-UHFFFAOYSA-N 1 1 329.419 3.349 50 0 EGAAMO C[N@@H+](CCCOc1cccc(Cl)c1)CC(=O)NC1CCCCC1 ZINC000244641216 536359032 /nfs/dbraw/zinc/35/90/32/536359032.db2.gz GLOMPRBYZSSNSK-UHFFFAOYSA-N 1 1 338.879 3.490 50 0 EGAAMO CC[C@@H](CO)[N@@H+](Cc1ccc(-c2cc[nH]n2)s1)Cc1ccccn1 ZINC000055244521 546558090 /nfs/dbraw/zinc/55/80/90/546558090.db2.gz IKPLIUNWPGWJRV-HNNXBMFYSA-N 1 1 342.468 3.306 50 0 EGAAMO C[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)c1ccc2c(c1)[nH]c1c2CCCC1 ZINC000670467083 548220146 /nfs/dbraw/zinc/22/01/46/548220146.db2.gz LBKAGLUXTWSHBY-CVEARBPZSA-N 1 1 337.467 3.355 50 0 EGAAMO CC(C)[N@H+]1CCCC[C@@H]1CCNC(=O)c1cccc2c1CCC2=O ZINC000670471424 548221653 /nfs/dbraw/zinc/22/16/53/548221653.db2.gz ZZKIFMXFRABJEE-OAHLLOKOSA-N 1 1 328.456 3.198 50 0 EGAAMO Cc1ncoc1C(=O)N1CC[C@@]2(C1)CCC[N@@H+](CC1CCCCC1)C2 ZINC000012302976 1291131787 /nfs/dbraw/zinc/13/17/87/1291131787.db2.gz OXVCRDVAEOHWNB-FQEVSTJZSA-N 1 1 345.487 3.491 50 0 EGAAMO O=C(N[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1onc2c1CCCC2 ZINC000828231312 1292444736 /nfs/dbraw/zinc/44/47/36/1292444736.db2.gz UVYSDHAFOUVPTC-CYBMUJFWSA-N 1 1 345.468 3.009 50 0 EGAAMO O=C(N[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1onc2c1CCCC2 ZINC000828231312 1292444739 /nfs/dbraw/zinc/44/47/39/1292444739.db2.gz UVYSDHAFOUVPTC-CYBMUJFWSA-N 1 1 345.468 3.009 50 0 EGAAMO CC[N@@H+](Cc1ccc(-c2ccc3c(c2)C(=O)OC3)o1)[C@H](C)CCO ZINC000952873722 1334584722 /nfs/dbraw/zinc/58/47/22/1334584722.db2.gz YYZFERIHBRBYEJ-CYBMUJFWSA-N 1 1 329.396 3.210 50 0 EGAAMO CC[N@H+]1CCC[C@H]1C(=O)NCCOC12CC3C[C@@](C)(C1)C[C@](C)(C3)C2 ZINC000952968599 1334627243 /nfs/dbraw/zinc/62/72/43/1334627243.db2.gz NKEABOCEOOAKDW-MKYAEOHRSA-N 1 1 348.531 3.353 50 0 EGAAMO CN(Cc1ccc2cc(Cl)ccc2n1)C[C@@H]1CCC[N@@H+](CCO)C1 ZINC000952991844 1334632010 /nfs/dbraw/zinc/63/20/10/1334632010.db2.gz TXVMOLZAAWQHSU-HNNXBMFYSA-N 1 1 347.890 3.024 50 0 EGAAMO C[N@@H+](Cc1ccc2cc(Cl)ccc2n1)C[C@@H]1CCCN(CCO)C1 ZINC000952991844 1334632013 /nfs/dbraw/zinc/63/20/13/1334632013.db2.gz TXVMOLZAAWQHSU-HNNXBMFYSA-N 1 1 347.890 3.024 50 0 EGAAMO C[N@H+](Cc1ccc2cc(Cl)ccc2n1)C[C@@H]1CCCN(CCO)C1 ZINC000952991844 1334632015 /nfs/dbraw/zinc/63/20/15/1334632015.db2.gz TXVMOLZAAWQHSU-HNNXBMFYSA-N 1 1 347.890 3.024 50 0 EGAAMO C[N@@H+](CC(=O)Nc1ccccc1OC[C@H]1CCCO1)C1CCCC1 ZINC000952990288 1334632156 /nfs/dbraw/zinc/63/21/56/1334632156.db2.gz HSMUSVCDMZJCPX-MRXNPFEDSA-N 1 1 332.444 3.057 50 0 EGAAMO CC(=O)N1C[C@H]2CC[C@H](C[N@@H+]2Cc2cccc3c(C)c(C)[nH]c32)C1 ZINC001704347457 1416451849 /nfs/dbraw/zinc/45/18/49/1416451849.db2.gz DYJQTTCIVSWNST-FUHWJXTLSA-N 1 1 325.456 3.227 50 0 EGAAMO CCC[N@@H+](Cc1ccc(Cn2cccn2)cc1)[C@@H]1CCCC[C@H]1O ZINC001704353787 1416453698 /nfs/dbraw/zinc/45/36/98/1416453698.db2.gz LSUILDDZIJUEIN-WOJBJXKFSA-N 1 1 327.472 3.447 50 0 EGAAMO CC[N@H+](Cc1nccn1C)Cc1ccc2c3c1cccc3C(=O)OC2 ZINC001704356951 1416454765 /nfs/dbraw/zinc/45/47/65/1416454765.db2.gz MVBLJDGNYOAFAA-UHFFFAOYSA-N 1 1 335.407 3.266 50 0 EGAAMO CC[N@@H+](Cc1nccn1C)Cc1ccc2c3c1cccc3C(=O)OC2 ZINC001704356951 1416454767 /nfs/dbraw/zinc/45/47/67/1416454767.db2.gz MVBLJDGNYOAFAA-UHFFFAOYSA-N 1 1 335.407 3.266 50 0 EGAAMO Cc1ccccc1NC(=O)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000019841470 202024509 /nfs/dbraw/zinc/02/45/09/202024509.db2.gz KOJXTANAHHYAPC-UHFFFAOYSA-N 1 1 337.467 3.141 50 0 EGAAMO Cc1[nH]c2ccccc2c1[C@@H](O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000020438180 202041386 /nfs/dbraw/zinc/04/13/86/202041386.db2.gz BMLGJLCTFKLNFU-NRFANRHFSA-N 1 1 349.478 3.328 50 0 EGAAMO OCC[C@@H]1CN(Cc2ccc3ncccc3c2)CC[N@H+]1C1CCCC1 ZINC000020535664 202047207 /nfs/dbraw/zinc/04/72/07/202047207.db2.gz AQKZRNRUTBAAAY-HXUWFJFHSA-N 1 1 339.483 3.046 50 0 EGAAMO CC(C)[N@H+]1CCN(Cc2ccccc2-c2ccco2)C[C@@H]1CCO ZINC000020539862 202047884 /nfs/dbraw/zinc/04/78/84/202047884.db2.gz MAHAVLUAFFSGDV-SFHVURJKSA-N 1 1 328.456 3.224 50 0 EGAAMO CC(C)(C)C[N@H+]1CCN(Cc2cc3ccccc3o2)C[C@@H]1CCO ZINC000020774217 202055195 /nfs/dbraw/zinc/05/51/95/202055195.db2.gz ZVJHESVZYATRHV-KRWDZBQOSA-N 1 1 330.472 3.348 50 0 EGAAMO CCc1ncc(C[N@@H+](C)[C@H]2CCCN(Cc3ccccc3F)C2)cn1 ZINC000020782078 202055475 /nfs/dbraw/zinc/05/54/75/202055475.db2.gz BBJPWNLUDVYQLE-SFHVURJKSA-N 1 1 342.462 3.275 50 0 EGAAMO CCc1ncc(CN(C)[C@H]2CCC[N@H+](Cc3ccccc3F)C2)cn1 ZINC000020782078 202055479 /nfs/dbraw/zinc/05/54/79/202055479.db2.gz BBJPWNLUDVYQLE-SFHVURJKSA-N 1 1 342.462 3.275 50 0 EGAAMO CCc1ncc(CN(C)[C@H]2CCC[N@@H+](Cc3ccccc3F)C2)cn1 ZINC000020782078 202055481 /nfs/dbraw/zinc/05/54/81/202055481.db2.gz BBJPWNLUDVYQLE-SFHVURJKSA-N 1 1 342.462 3.275 50 0 EGAAMO COc1ccc([C@H]2c3cc(OC)c(OC)cc3CC[N@H+]2C)cc1OC ZINC000022342560 202084021 /nfs/dbraw/zinc/08/40/21/202084021.db2.gz KYWZIVDVIANHDJ-FQEVSTJZSA-N 1 1 343.423 3.298 50 0 EGAAMO COc1ccc([C@H]2c3cc(OC)c(OC)cc3CC[N@@H+]2C)cc1OC ZINC000022342560 202084025 /nfs/dbraw/zinc/08/40/25/202084025.db2.gz KYWZIVDVIANHDJ-FQEVSTJZSA-N 1 1 343.423 3.298 50 0 EGAAMO CSc1ccc(C(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)cc1 ZINC000022027893 202077341 /nfs/dbraw/zinc/07/73/41/202077341.db2.gz ZXGZNKWEOFXMNQ-UHFFFAOYSA-N 1 1 340.492 3.387 50 0 EGAAMO C[NH+]1CCN(Cc2ccc(C(=O)c3cccc(Cl)c3)cc2)CC1 ZINC000022027901 202077970 /nfs/dbraw/zinc/07/79/70/202077970.db2.gz QCSKJBREPSXYHS-UHFFFAOYSA-N 1 1 328.843 3.318 50 0 EGAAMO OCC[C@H]1CN(C/C=C/c2ccccc2)CC[N@H+]1Cc1cccs1 ZINC000023358800 202102972 /nfs/dbraw/zinc/10/29/72/202102972.db2.gz PIWFYVRZNQCJGD-AMGQUURNSA-N 1 1 342.508 3.330 50 0 EGAAMO CC(C)=CCC[C@]1(C)OC(=O)N(CCCn2cc[nH+]c2C)[C@]1(C)O ZINC000000110710 201436126 /nfs/dbraw/zinc/43/61/26/201436126.db2.gz YKFPHCVRHUWONI-ZWKOTPCHSA-N 1 1 335.448 3.247 50 0 EGAAMO Cc1nc(C2CC[NH+](Cc3cc4cc(F)ccc4n3C)CC2)n[nH]1 ZINC000215749537 241143931 /nfs/dbraw/zinc/14/39/31/241143931.db2.gz XNIJGAQZSUTCCQ-UHFFFAOYSA-N 1 1 327.407 3.124 50 0 EGAAMO Cc1nnc(C2CC[NH+](Cc3cc4cc(F)ccc4n3C)CC2)[nH]1 ZINC000215749537 241143938 /nfs/dbraw/zinc/14/39/38/241143938.db2.gz XNIJGAQZSUTCCQ-UHFFFAOYSA-N 1 1 327.407 3.124 50 0 EGAAMO CC1=CC[N@@H+](Cc2ccccc2OCC(=O)N2CCC(C)CC2)CC1 ZINC000216073583 241161853 /nfs/dbraw/zinc/16/18/53/241161853.db2.gz MEDNVSSWVQUJRN-UHFFFAOYSA-N 1 1 342.483 3.476 50 0 EGAAMO CCn1ccc(C(=O)NC[C@@H](c2ccc(Cl)cc2)[NH+]2CCCC2)n1 ZINC000215397534 241123746 /nfs/dbraw/zinc/12/37/46/241123746.db2.gz RTQPMINRLCXMLE-KRWDZBQOSA-N 1 1 346.862 3.123 50 0 EGAAMO COc1ccc(-c2nc(C[N@H+]3CCC[C@@H](OC)C3)c(C)o2)c(F)c1 ZINC000071721488 203104657 /nfs/dbraw/zinc/10/46/57/203104657.db2.gz OHJSDAYZNGZRPB-CQSZACIVSA-N 1 1 334.391 3.409 50 0 EGAAMO COc1ccc(-c2nc(C[N@@H+]3CCC[C@@H](OC)C3)c(C)o2)c(F)c1 ZINC000071721488 203104661 /nfs/dbraw/zinc/10/46/61/203104661.db2.gz OHJSDAYZNGZRPB-CQSZACIVSA-N 1 1 334.391 3.409 50 0 EGAAMO CC[C@@H]1C[N@@H+](Cc2ncccc2C)CCC(=O)N1Cc1ccccc1 ZINC000071748136 203107124 /nfs/dbraw/zinc/10/71/24/203107124.db2.gz NILFSHLEMPBRRV-LJQANCHMSA-N 1 1 337.467 3.403 50 0 EGAAMO COC(=O)c1cc(C[N@@H+]2CCC[C@H]2c2c(C)noc2C)ccc1O ZINC000071758751 203109645 /nfs/dbraw/zinc/10/96/45/203109645.db2.gz TXRIEEBSBDNHEZ-HNNXBMFYSA-N 1 1 330.384 3.121 50 0 EGAAMO COC(=O)c1cc(C[N@H+]2CCC[C@H]2c2c(C)noc2C)ccc1O ZINC000071758751 203109648 /nfs/dbraw/zinc/10/96/48/203109648.db2.gz TXRIEEBSBDNHEZ-HNNXBMFYSA-N 1 1 330.384 3.121 50 0 EGAAMO COc1ccccc1[C@@H]1C[N@@H+](Cc2ccco2)[C@H]2[C@@H]1N1CCC2CC1 ZINC000072127176 203165536 /nfs/dbraw/zinc/16/55/36/203165536.db2.gz SQCOBLHKOOLGCJ-CEWLAPEOSA-N 1 1 338.451 3.350 50 0 EGAAMO CCCC(=O)N1C[C@H](c2cc(F)cc(F)c2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000072134674 203166083 /nfs/dbraw/zinc/16/60/83/203166083.db2.gz ZBWOGERWVOSBDE-BHIYHBOVSA-N 1 1 334.410 3.154 50 0 EGAAMO CCC[N@H+]1CCC[C@@H](Nc2nc(C3CCCC3)nc3c2cnn3C)C1 ZINC000072129784 203166459 /nfs/dbraw/zinc/16/64/59/203166459.db2.gz SUPFUCWGUSCHJQ-OAHLLOKOSA-N 1 1 342.491 3.307 50 0 EGAAMO CN(C)C(=O)C[N@H+]1CCC[C@@H](CCc2cccc(C(F)(F)F)c2)C1 ZINC000072135313 203166929 /nfs/dbraw/zinc/16/69/29/203166929.db2.gz AZIXFIIROBUIAV-HNNXBMFYSA-N 1 1 342.405 3.438 50 0 EGAAMO Cc1ccc([C@@H]2C[N@@H+](Cc3ccccn3)[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000072145091 203170198 /nfs/dbraw/zinc/17/01/98/203170198.db2.gz TXVKGCDLFLPJCV-BHDDXSALSA-N 1 1 333.479 3.452 50 0 EGAAMO Cc1ccc([C@@H]2CN(Cc3ccccn3)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000072145091 203170203 /nfs/dbraw/zinc/17/02/03/203170203.db2.gz TXVKGCDLFLPJCV-BHDDXSALSA-N 1 1 333.479 3.452 50 0 EGAAMO Cc1ccc([C@H]2C[N@@H+](Cc3ccncc3)[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000072146653 203172232 /nfs/dbraw/zinc/17/22/32/203172232.db2.gz GHQVGTPEAKUWMS-YPAWHYETSA-N 1 1 333.479 3.452 50 0 EGAAMO Cc1ccc([C@H]2CN(Cc3ccncc3)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000072146653 203172235 /nfs/dbraw/zinc/17/22/35/203172235.db2.gz GHQVGTPEAKUWMS-YPAWHYETSA-N 1 1 333.479 3.452 50 0 EGAAMO Cc1nnnn1CCC[N@H+]1CCC[C@@H](CCc2ccccc2C)C1 ZINC000072156814 203174495 /nfs/dbraw/zinc/17/44/95/203174495.db2.gz GLKKZHQNJWLZJR-SFHVURJKSA-N 1 1 327.476 3.025 50 0 EGAAMO CCc1ncc(C[NH+]2CCC(Oc3ccccc3OC)CC2)cn1 ZINC000072167237 203179758 /nfs/dbraw/zinc/17/97/58/203179758.db2.gz KKDRFXPWELOQNC-UHFFFAOYSA-N 1 1 327.428 3.091 50 0 EGAAMO C(CN1CC[NH+](CCOC2CCCCC2)CC1)OC1CCCCC1 ZINC000020160541 212107440 /nfs/dbraw/zinc/10/74/40/212107440.db2.gz KJJDLKCEWQCKFX-UHFFFAOYSA-N 1 1 338.536 3.303 50 0 EGAAMO CCCCC[N@H+]1CCC[C@]2(CCC(=O)N(Cc3cnc(C)cn3)C2)C1 ZINC000077472051 203390107 /nfs/dbraw/zinc/39/01/07/203390107.db2.gz XMAUTWJXCQMFHJ-FQEVSTJZSA-N 1 1 344.503 3.180 50 0 EGAAMO C[NH+](C)C[C@@H]1[C@H]2C[N@H+](Cc3c(-c4ccccc4)nc4ccccn43)C[C@H]21 ZINC000101992978 204029207 /nfs/dbraw/zinc/02/92/07/204029207.db2.gz SZBYBVBZWVAAFV-LDLYASANSA-N 1 1 346.478 3.241 50 0 EGAAMO CC(C)=CC[N@H+]1CCN(c2cc(C)c3ccccc3n2)C[C@@H]1CCO ZINC000107012231 204223741 /nfs/dbraw/zinc/22/37/41/204223741.db2.gz PVGJAQBSWHJKCC-SFHVURJKSA-N 1 1 339.483 3.382 50 0 EGAAMO Cc1cc(Br)ccc1NC(=O)C[NH+]1CCC(C)CC1 ZINC000007446745 210802134 /nfs/dbraw/zinc/80/21/34/210802134.db2.gz BBPRGZLJCJICFR-UHFFFAOYSA-N 1 1 325.250 3.428 50 0 EGAAMO CN(C)c1cccc(-c2cccc(C(=O)NC[C@H]3CC[N@@H+](C)C3)c2)c1 ZINC000299779795 258089110 /nfs/dbraw/zinc/08/91/10/258089110.db2.gz QKGRUZJNGGXARB-MRXNPFEDSA-N 1 1 337.467 3.101 50 0 EGAAMO CCCCc1nc(NCCNC(=O)c2ccc(Cl)cn2)cc(C)[nH+]1 ZINC000299786253 258093232 /nfs/dbraw/zinc/09/32/32/258093232.db2.gz KKWWYLFLXXIWGB-UHFFFAOYSA-N 1 1 347.850 3.018 50 0 EGAAMO CCCCc1nc(NCCNC(=O)c2nc(C)sc2C)cc(C)[nH+]1 ZINC000299800075 258103405 /nfs/dbraw/zinc/10/34/05/258103405.db2.gz ZQFNJDYXNHBXQM-UHFFFAOYSA-N 1 1 347.488 3.043 50 0 EGAAMO Cc1cccc(C[N@H+]2CCC[C@@H]3CN(C(=O)c4ccco4)CC[C@@H]32)n1 ZINC000299757414 258075405 /nfs/dbraw/zinc/07/54/05/258075405.db2.gz JJMDBAWZXDQWDN-AEFFLSMTSA-N 1 1 339.439 3.110 50 0 EGAAMO O=C(NC[C@H](c1ccc(Cl)cc1)[NH+]1CCCCC1)c1cnc[nH]1 ZINC000299758077 258076101 /nfs/dbraw/zinc/07/61/01/258076101.db2.gz AUBZQBHDFGDJHX-MRXNPFEDSA-N 1 1 332.835 3.020 50 0 EGAAMO Nc1nc(NC2(c3ccccc3Cl)CC2)cc([C@@H]2CCOC2)[nH+]1 ZINC000299762107 258078396 /nfs/dbraw/zinc/07/83/96/258078396.db2.gz VWSYUKLJPBDGNZ-LLVKDONJSA-N 1 1 330.819 3.317 50 0 EGAAMO CCCC[N@H+](Cc1ccco1)Cc1cccnc1N1CCOCC1 ZINC000055053469 132193229 /nfs/dbraw/zinc/19/32/29/132193229.db2.gz YIHUBDWXIQCVBC-UHFFFAOYSA-N 1 1 329.444 3.314 50 0 EGAAMO CCCC[N@@H+](Cc1ccco1)Cc1cccnc1N1CCOCC1 ZINC000055053469 132193231 /nfs/dbraw/zinc/19/32/31/132193231.db2.gz YIHUBDWXIQCVBC-UHFFFAOYSA-N 1 1 329.444 3.314 50 0 EGAAMO C[C@@H](c1ccon1)[N@H+](C)CCC(=O)Nc1nc2ccccc2s1 ZINC000065393490 274279740 /nfs/dbraw/zinc/27/97/40/274279740.db2.gz KZIJKOJFNOJWOU-NSHDSACASA-N 1 1 330.413 3.306 50 0 EGAAMO C[C@@H](c1ccon1)[N@@H+](C)CCC(=O)Nc1nc2ccccc2s1 ZINC000065393490 274279741 /nfs/dbraw/zinc/27/97/41/274279741.db2.gz KZIJKOJFNOJWOU-NSHDSACASA-N 1 1 330.413 3.306 50 0 EGAAMO CC1(C)CNC(=O)c2[nH]c(C[C@@H]3CCCC[N@H+]3C3CCCC3)nc2C1 ZINC000095353904 278349963 /nfs/dbraw/zinc/34/99/63/278349963.db2.gz PPKPUOFWNVBAFZ-HNNXBMFYSA-N 1 1 344.503 3.061 50 0 EGAAMO Cc1ccc2c(c1)C1=C(CO2)[C@@H](c2ccc(F)cc2)N2NC=NC2=[NH+]1 ZINC000005562446 281050839 /nfs/dbraw/zinc/05/08/39/281050839.db2.gz IKWMKPPIJWJKGA-GOSISDBHSA-N 1 1 334.354 3.197 50 0 EGAAMO COc1ccc2c(c1O)-c1c(OC)c(OC)cc3c1[C@H](C2)[N@H+](C)CC3 ZINC000000056792 452496779 /nfs/dbraw/zinc/49/67/79/452496779.db2.gz QELDJEKNFOQJOY-ZDUSSCGKSA-N 1 1 341.407 3.170 50 0 endogenous,in-man EGAAMO COc1ccc2c(c1O)-c1c(OC)c(OC)cc3c1[C@H](C2)[N@@H+](C)CC3 ZINC000000056792 452496787 /nfs/dbraw/zinc/49/67/87/452496787.db2.gz QELDJEKNFOQJOY-ZDUSSCGKSA-N 1 1 341.407 3.170 50 0 endogenous,in-man EGAAMO COc1ccc(NC(=O)CC[N@@H+](C)Cc2ccccc2)c(OC)c1 ZINC000000455059 452597640 /nfs/dbraw/zinc/59/76/40/452597640.db2.gz VDFVZEGLUCBROG-UHFFFAOYSA-N 1 1 328.412 3.164 50 0 EGAAMO CCC(=O)c1ccc(OC[C@H](O)C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000002887852 452733767 /nfs/dbraw/zinc/73/37/67/452733767.db2.gz SPDVZRJIEXJRSB-LJQANCHMSA-N 1 1 339.435 3.077 50 0 EGAAMO CCC(=O)c1ccc(OC[C@H](O)C[N@H+]2CCc3ccccc3C2)cc1 ZINC000002887852 452733776 /nfs/dbraw/zinc/73/37/76/452733776.db2.gz SPDVZRJIEXJRSB-LJQANCHMSA-N 1 1 339.435 3.077 50 0 EGAAMO Oc1ccc2c(c1)[C@@]13CCCC[C@@]1(O)[C@@H](C2)[N@@H+](CC1CCC1)CC3 ZINC000003812988 452786013 /nfs/dbraw/zinc/78/60/13/452786013.db2.gz IFKLAQQSCNILHL-QHAWAJNXSA-N 1 1 327.468 3.366 50 0 fda EGAAMO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@]1(O)CC(O)(c1ccccc1)c1ccccc1 ZINC000004474069 452804232 /nfs/dbraw/zinc/80/42/32/452804232.db2.gz RICXMDIFJNHTOE-LQWHRVPQSA-N 1 1 339.479 3.404 50 0 EGAAMO O=C(c1cccc(F)c1)N1CC[NH+](CCCc2ccccc2)CC1 ZINC000004906165 452825053 /nfs/dbraw/zinc/82/50/53/452825053.db2.gz OYBJHSNZKZPOPE-UHFFFAOYSA-N 1 1 326.415 3.216 50 0 EGAAMO CCc1ccccc1NC(=O)CSc1nnc([C@@H]([NH3+])CC(C)C)o1 ZINC000005047358 452834508 /nfs/dbraw/zinc/83/45/08/452834508.db2.gz QOSFPVKTFACZOG-ZDUSSCGKSA-N 1 1 348.472 3.409 50 0 EGAAMO O=C(CCc1cccnc1)N[C@H]1CCC[N@H+](C2CCCCCC2)C1 ZINC000012434444 453362219 /nfs/dbraw/zinc/36/22/19/453362219.db2.gz BXBRWVKRNMTUPA-SFHVURJKSA-N 1 1 329.488 3.318 50 0 EGAAMO CCc1[nH]nc(C(=O)N[C@H]2CCC[N@@H+](CC3CCCCC3)C2)c1C ZINC000012439855 453362873 /nfs/dbraw/zinc/36/28/73/453362873.db2.gz ACZJBRWTUKQVFS-INIZCTEOSA-N 1 1 332.492 3.055 50 0 EGAAMO CCc1n[nH]c(C(=O)N[C@H]2CCC[N@H+](CC3CCCCC3)C2)c1C ZINC000012439855 453362879 /nfs/dbraw/zinc/36/28/79/453362879.db2.gz ACZJBRWTUKQVFS-INIZCTEOSA-N 1 1 332.492 3.055 50 0 EGAAMO CCc1n[nH]c(C(=O)N[C@H]2CCC[N@@H+](CC3CCCCC3)C2)c1C ZINC000012439855 453362888 /nfs/dbraw/zinc/36/28/88/453362888.db2.gz ACZJBRWTUKQVFS-INIZCTEOSA-N 1 1 332.492 3.055 50 0 EGAAMO CCn1nc(C)cc1C(=O)N[C@H]1CCC[N@H+](C2CCCCCC2)C1 ZINC000012478046 453364145 /nfs/dbraw/zinc/36/41/45/453364145.db2.gz ZJJIOZMMTKXEPW-INIZCTEOSA-N 1 1 332.492 3.128 50 0 EGAAMO CC(C)CCN(C)C(=O)[C@@H]1CCC[N@@H+](C2CCN(C(C)C)CC2)C1 ZINC000012701720 453392886 /nfs/dbraw/zinc/39/28/86/453392886.db2.gz SVIJTTUWHFSSCW-GOSISDBHSA-N 1 1 337.552 3.076 50 0 EGAAMO CC(C)CCN(C)C(=O)[C@@H]1CCC[N@H+](C2CCN(C(C)C)CC2)C1 ZINC000012701720 453392891 /nfs/dbraw/zinc/39/28/91/453392891.db2.gz SVIJTTUWHFSSCW-GOSISDBHSA-N 1 1 337.552 3.076 50 0 EGAAMO O=C(c1ccc(Oc2ccccc2)cc1)[C@H]1CCC[N@H+](CCO)C1 ZINC000014970192 453549734 /nfs/dbraw/zinc/54/97/34/453549734.db2.gz GAUBWGHVPJOKJW-KRWDZBQOSA-N 1 1 325.408 3.366 50 0 EGAAMO CCn1ccnc1C[N@@H+]1CCC[C@](CO)(Cc2cccc(Cl)c2)C1 ZINC000015077298 453554338 /nfs/dbraw/zinc/55/43/38/453554338.db2.gz DUUZDQNCYPILGT-IBGZPJMESA-N 1 1 347.890 3.374 50 0 EGAAMO CCn1ccnc1C[N@H+]1CCC[C@](CO)(Cc2cccc(Cl)c2)C1 ZINC000015077298 453554342 /nfs/dbraw/zinc/55/43/42/453554342.db2.gz DUUZDQNCYPILGT-IBGZPJMESA-N 1 1 347.890 3.374 50 0 EGAAMO C[C@@H]([NH2+]CC(=O)NCc1ccco1)c1ccccc1Br ZINC000016695411 453618895 /nfs/dbraw/zinc/61/88/95/453618895.db2.gz OYPKFOAIZGQORT-LLVKDONJSA-N 1 1 337.217 3.009 50 0 EGAAMO C[C@@H]1C[N@@H+](C[C@@H](O)COc2ccc(-c3ccccc3)cc2)C[C@H](C)O1 ZINC000017246974 453632189 /nfs/dbraw/zinc/63/21/89/453632189.db2.gz AOJZWBFZAWYLFD-FUHIMQAGSA-N 1 1 341.451 3.203 50 0 EGAAMO C[C@@H]1C[N@H+](C[C@@H](O)COc2ccc(-c3ccccc3)cc2)C[C@H](C)O1 ZINC000017246974 453632193 /nfs/dbraw/zinc/63/21/93/453632193.db2.gz AOJZWBFZAWYLFD-FUHIMQAGSA-N 1 1 341.451 3.203 50 0 EGAAMO CC(C)[N@H+]1CCC[C@@H](CCNC(=O)c2coc3c2C(=O)CCC3)C1 ZINC000067587350 453946017 /nfs/dbraw/zinc/94/60/17/453946017.db2.gz CRUSOMACKQCPRG-AWEZNQCLSA-N 1 1 332.444 3.039 50 0 EGAAMO Cc1ccc(-c2c[nH]nc2[C@H]2CCC[N@H+](Cc3nccn3C)C2)cc1 ZINC000067641300 453952157 /nfs/dbraw/zinc/95/21/57/453952157.db2.gz NEDQOHGMCSRQSW-KRWDZBQOSA-N 1 1 335.455 3.498 50 0 EGAAMO COc1ccc2[nH]c(=O)c(C[N@@H+](Cc3ccccn3)C3CC3)cc2c1 ZINC000067679099 453954919 /nfs/dbraw/zinc/95/49/19/453954919.db2.gz VCVUSJDQMQSLIJ-UHFFFAOYSA-N 1 1 335.407 3.096 50 0 EGAAMO CC(C)n1c2ccccc2nc1C[N@H+]1CC[C@]2(C1)CCCN(C)C2=O ZINC000067740617 453961156 /nfs/dbraw/zinc/96/11/56/453961156.db2.gz YZSQXAKXGXGGEG-FQEVSTJZSA-N 1 1 340.471 3.062 50 0 EGAAMO Cc1nc2c(ncnc2NCCCc2[nH]c3ccc(C)c(C)c3[nH+]2)o1 ZINC000067784537 453966081 /nfs/dbraw/zinc/96/60/81/453966081.db2.gz SUOALYZVCSADJW-UHFFFAOYSA-N 1 1 336.399 3.464 50 0 EGAAMO Cc1ccc(NC2(C(=O)NC[C@@H]3CCC[N@H+](C)C3)CCCC2)cc1 ZINC000067819205 453969262 /nfs/dbraw/zinc/96/92/62/453969262.db2.gz IHEJTPCTDKJRAL-KRWDZBQOSA-N 1 1 329.488 3.178 50 0 EGAAMO Cc1ncc(C[N@H+]2CC[C@]3(C2)CCCN(C(=O)OCC(C)(C)C)C3)[nH]1 ZINC000067834052 453971566 /nfs/dbraw/zinc/97/15/66/453971566.db2.gz FSBZKMGZSZGEAC-IBGZPJMESA-N 1 1 348.491 3.189 50 0 EGAAMO Cc1nc(C[N@@H+]2CC[C@]3(C2)CCCN(C(=O)OCC(C)(C)C)C3)c[nH]1 ZINC000067834052 453971575 /nfs/dbraw/zinc/97/15/75/453971575.db2.gz FSBZKMGZSZGEAC-IBGZPJMESA-N 1 1 348.491 3.189 50 0 EGAAMO Cc1nc(C[N@H+]2CC[C@]3(C2)CCCN(C(=O)OCC(C)(C)C)C3)c[nH]1 ZINC000067834052 453971580 /nfs/dbraw/zinc/97/15/80/453971580.db2.gz FSBZKMGZSZGEAC-IBGZPJMESA-N 1 1 348.491 3.189 50 0 EGAAMO CCCc1nc(CNC(=O)[C@H]2CCC[N@@H+](Cc3ccco3)C2)cs1 ZINC000055284689 453973992 /nfs/dbraw/zinc/97/39/92/453973992.db2.gz UDQVMXDVQYAPAK-AWEZNQCLSA-N 1 1 347.484 3.217 50 0 EGAAMO CNc1ccc(C)cc1C(=O)N1CCC2(CC1)CCC[N@@H+](C)CC2 ZINC000067869337 453974898 /nfs/dbraw/zinc/97/48/98/453974898.db2.gz FCNAHMOAEVYZDP-UHFFFAOYSA-N 1 1 329.488 3.375 50 0 EGAAMO CC[C@H](CO)[N@@H+](CCCn1nc(C)cc1C)Cc1ccc(F)cc1 ZINC000055308245 453975391 /nfs/dbraw/zinc/97/53/91/453975391.db2.gz GYOXLIXULLNRGA-LJQANCHMSA-N 1 1 333.451 3.302 50 0 EGAAMO CC(C)NC(=O)NC[C@H]1CCC[N@@H+](Cc2cc3ccccc3[nH]2)C1 ZINC000067880096 453976274 /nfs/dbraw/zinc/97/62/74/453976274.db2.gz VRTITMXYNMDGOD-OAHLLOKOSA-N 1 1 328.460 3.088 50 0 EGAAMO Cc1cccc(C[N@H+]2CC[C@H](CNC(=O)c3sccc3Cl)C2)n1 ZINC000067909479 453979644 /nfs/dbraw/zinc/97/96/44/453979644.db2.gz VAOWNYMRTBGFSL-CYBMUJFWSA-N 1 1 349.887 3.357 50 0 EGAAMO Cc1ccc(CNc2ccc(C(=O)N(C)[C@H]3CC[N@@H+](C)C3)cc2)cc1 ZINC000055414180 453983910 /nfs/dbraw/zinc/98/39/10/453983910.db2.gz VJFOWVFDMUGMKN-FQEVSTJZSA-N 1 1 337.467 3.383 50 0 EGAAMO Cc1nc2ncccc2c(NC[C@H]2CCC[N@@H+](Cc3ccco3)C2)n1 ZINC000095363748 454197645 /nfs/dbraw/zinc/19/76/45/454197645.db2.gz FTMVKAQRFRNKJB-OAHLLOKOSA-N 1 1 337.427 3.250 50 0 EGAAMO CCCN(Cc1cccnc1)C(=O)[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000095377816 454198763 /nfs/dbraw/zinc/19/87/63/454198763.db2.gz RHPBCFUPJVXZTQ-GOSISDBHSA-N 1 1 329.419 3.262 50 0 EGAAMO CN(Cc1ccc(Cl)nc1)C(=O)[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000095384012 454199816 /nfs/dbraw/zinc/19/98/16/454199816.db2.gz BUPIKPNJGPWAMF-INIZCTEOSA-N 1 1 335.810 3.135 50 0 EGAAMO CSc1ccccc1C[N@H+]1C[C@H]2CC[C@@H](C1)C(=O)N2CC1CC1 ZINC000095383447 454199947 /nfs/dbraw/zinc/19/99/47/454199947.db2.gz MEAYMFKGEYKHJX-DLBZAZTESA-N 1 1 330.497 3.241 50 0 EGAAMO CC(C)c1[nH+]ccn1[C@H](C)C(=O)N(C)Cc1cc(C(C)(C)C)n[nH]1 ZINC000095531483 454229212 /nfs/dbraw/zinc/22/92/12/454229212.db2.gz RTDPZGGTIGDDKE-CYBMUJFWSA-N 1 1 331.464 3.247 50 0 EGAAMO Cc1nc2cc(NC(=O)N3CC[C@@H]4CC[C@H](C3)[N@H+]4C)ccc2s1 ZINC000095527138 454229510 /nfs/dbraw/zinc/22/95/10/454229510.db2.gz XUFMCCSLXLONIU-UONOGXRCSA-N 1 1 330.457 3.305 50 0 EGAAMO CCCC(=O)Nc1cccc(NC(=O)N(CC)C[C@@H]2CC[N@@H+](C)C2)c1 ZINC000096163707 454295717 /nfs/dbraw/zinc/29/57/17/454295717.db2.gz PQBCANCFHINOCJ-OAHLLOKOSA-N 1 1 346.475 3.231 50 0 EGAAMO COC(=O)c1ccc(NC(=O)NCCCn2cc[nH+]c2C(C)C)cc1 ZINC000096162632 454295727 /nfs/dbraw/zinc/29/57/27/454295727.db2.gz RMNWIRAIRKZWNV-UHFFFAOYSA-N 1 1 344.415 3.005 50 0 EGAAMO COc1ccc(CN(C)C(=O)[C@H]2CCCCC[N@H+]2C)c2cccnc12 ZINC000097099606 454406382 /nfs/dbraw/zinc/40/63/82/454406382.db2.gz AVRHKSDRYXTAQP-QGZVFWFLSA-N 1 1 341.455 3.076 50 0 EGAAMO Cc1cc(C)c(C[N@H+](Cc2cnn(C)c2)C2CC2)c(-n2cccn2)c1 ZINC000097137022 454414187 /nfs/dbraw/zinc/41/41/87/454414187.db2.gz JVBUUYIHXOIVAR-UHFFFAOYSA-N 1 1 335.455 3.387 50 0 EGAAMO Cc1nc(-c2ccccc2)[nH]c1C(=O)N1CC([N@@H+]2CCCC[C@H]2C)C1 ZINC000097301240 454432124 /nfs/dbraw/zinc/43/21/24/454432124.db2.gz QJVMXWJJXAIABE-CQSZACIVSA-N 1 1 338.455 3.084 50 0 EGAAMO COC[C@]1(O)CC[N@H+](Cc2ccccc2OC(F)(F)F)CC1(C)C ZINC000091440922 454435309 /nfs/dbraw/zinc/43/53/09/454435309.db2.gz RRSXEWDRWBGCQD-MRXNPFEDSA-N 1 1 347.377 3.195 50 0 EGAAMO COC[C@]1(O)CC[N@@H+](Cc2ccccc2OC(F)(F)F)CC1(C)C ZINC000091440922 454435312 /nfs/dbraw/zinc/43/53/12/454435312.db2.gz RRSXEWDRWBGCQD-MRXNPFEDSA-N 1 1 347.377 3.195 50 0 EGAAMO OCc1ccccc1C[NH+]1CCN(Cc2ccnc3ccccc23)CC1 ZINC000097546677 454440597 /nfs/dbraw/zinc/44/05/97/454440597.db2.gz AALKDEQPIIMTGB-UHFFFAOYSA-N 1 1 347.462 3.045 50 0 EGAAMO Cc1nn(C)cc1C[N@H+]1CCCN(c2nc3ccccc3s2)CC1 ZINC000097604047 454442221 /nfs/dbraw/zinc/44/22/21/454442221.db2.gz MUMRGJIRDICPEK-UHFFFAOYSA-N 1 1 341.484 3.051 50 0 EGAAMO Cc1cc(C)n(-c2cccc(C[N@H+](C)[C@H](C)Cc3cnccn3)c2)n1 ZINC000097675535 454443078 /nfs/dbraw/zinc/44/30/78/454443078.db2.gz QLMVYBNJZABOTM-MRXNPFEDSA-N 1 1 335.455 3.342 50 0 EGAAMO O=C(CCc1cc2n(n1)CCC[N@H+](C1CCCCCC1)C2)NC1CC1 ZINC000091574273 454446325 /nfs/dbraw/zinc/44/63/25/454446325.db2.gz KOWQZWGSJSAPSQ-UHFFFAOYSA-N 1 1 344.503 3.023 50 0 EGAAMO Cc1ccc[nH+]c1N1CCN(C(=O)C[C@@H]2CCc3ccccc32)CC1 ZINC000091562702 454446460 /nfs/dbraw/zinc/44/64/60/454446460.db2.gz RLXXQPUMDNJXED-SFHVURJKSA-N 1 1 335.451 3.159 50 0 EGAAMO Cc1n[nH]c(C)c1[C@H]([NH3+])C(=O)N(C/C=C/c1ccccc1)CC(C)C ZINC000091563452 454446735 /nfs/dbraw/zinc/44/67/35/454446735.db2.gz XUCUQDPFYHUDEO-BLRBJFNZSA-N 1 1 340.471 3.224 50 0 EGAAMO COCC[C@@]1(CO)CCC[N@H+](C2CCN(c3ccccc3C)CC2)C1 ZINC000091587517 454447719 /nfs/dbraw/zinc/44/77/19/454447719.db2.gz QPEAGMATTSIMMP-NRFANRHFSA-N 1 1 346.515 3.075 50 0 EGAAMO FC(F)(F)c1ccnc(NCC[N@H+]2CC[C@@H](c3ccccc3)C2)n1 ZINC000091644454 454454797 /nfs/dbraw/zinc/45/47/97/454454797.db2.gz FTBXJWKEGAUDPL-CQSZACIVSA-N 1 1 336.361 3.397 50 0 EGAAMO Cc1oc(C(C)C)cc1C(=O)N1CCCC[C@H]1CC[NH+]1CCOCC1 ZINC000091664746 454454986 /nfs/dbraw/zinc/45/49/86/454454986.db2.gz VPWLWUFKQFZRIP-KRWDZBQOSA-N 1 1 348.487 3.428 50 0 EGAAMO Cc1nc(N2CCCCCCC2)ncc1[C@@H](C)Nc1cc[nH+]c(N)n1 ZINC000091859562 454483723 /nfs/dbraw/zinc/48/37/23/454483723.db2.gz DXUTXWRIBYFTPV-CYBMUJFWSA-N 1 1 341.463 3.101 50 0 EGAAMO CSc1ccc(C[N@H+]2C[C@H]3CC[C@@H]2CN(c2cnccn2)C3)cc1 ZINC000091943300 454492083 /nfs/dbraw/zinc/49/20/83/454492083.db2.gz XJTWHCOIEUALGX-IAGOWNOFSA-N 1 1 340.496 3.299 50 0 EGAAMO CCOCCOc1cccc(C(=O)N2CC[N@@H+](C(C)C)[C@H](CC)C2)c1 ZINC000091943961 454492854 /nfs/dbraw/zinc/49/28/54/454492854.db2.gz GNHKDAVCRSCFDY-GOSISDBHSA-N 1 1 348.487 3.047 50 0 EGAAMO C[C@@H]1CCC[N@@H+](CCn2cc(-c3coc(-c4ccccc4)n3)nn2)C1 ZINC000091974400 454497471 /nfs/dbraw/zinc/49/74/71/454497471.db2.gz NBWKRVCHOYHGJS-OAHLLOKOSA-N 1 1 337.427 3.332 50 0 EGAAMO Cc1ccc(C(=O)N2C[C@H]3CC[C@@H]2C[N@@H+](Cc2ccncc2)C3)cc1C ZINC000092037422 454506446 /nfs/dbraw/zinc/50/64/46/454506446.db2.gz ADKAXZNGNFMFQF-PZJWPPBQSA-N 1 1 349.478 3.435 50 0 EGAAMO CCCc1nc(NCc2csc(-c3cnccn3)n2)cc(C)[nH+]1 ZINC000065409301 454561812 /nfs/dbraw/zinc/56/18/12/454561812.db2.gz MOTOAZRXGVTNCJ-UHFFFAOYSA-N 1 1 326.429 3.263 50 0 EGAAMO Cc1cccc2oc(CNC(=O)[C@@H](c3cccc(F)c3)[NH+](C)C)nc21 ZINC000065466649 454571912 /nfs/dbraw/zinc/57/19/12/454571912.db2.gz KTDVKBVQJWCNKK-GOSISDBHSA-N 1 1 341.386 3.194 50 0 EGAAMO CC(C)(C)C[N@H+]1CCN(Cc2c[nH]c3ccccc23)C[C@H]1CCO ZINC000104363673 454583979 /nfs/dbraw/zinc/58/39/79/454583979.db2.gz HNEAKKWMVUHQNZ-QGZVFWFLSA-N 1 1 329.488 3.083 50 0 EGAAMO CC(C)=CC[N@H+]1CCN(Cc2ccc3ncccc3c2)C[C@H]1CCO ZINC000105902966 454669266 /nfs/dbraw/zinc/66/92/66/454669266.db2.gz FSXAHIIUDBPKFR-HXUWFJFHSA-N 1 1 339.483 3.070 50 0 EGAAMO CC(C)=CCN1CC[N@H+](Cc2ccc3ncccc3c2)C[C@H]1CCO ZINC000105902966 454669272 /nfs/dbraw/zinc/66/92/72/454669272.db2.gz FSXAHIIUDBPKFR-HXUWFJFHSA-N 1 1 339.483 3.070 50 0 EGAAMO CC(C)=CCN1CC[N@@H+](Cc2ccc3ncccc3c2)C[C@H]1CCO ZINC000105902966 454669275 /nfs/dbraw/zinc/66/92/75/454669275.db2.gz FSXAHIIUDBPKFR-HXUWFJFHSA-N 1 1 339.483 3.070 50 0 EGAAMO O=C(c1cccnc1)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000106638394 454708919 /nfs/dbraw/zinc/70/89/19/454708919.db2.gz QPYOWBBLJIDUDA-VQTJNVASSA-N 1 1 335.451 3.351 50 0 EGAAMO CC[C@H](NC(=O)CC[NH+]1CCCCC1)c1nc2ccc(C)cc2[nH]1 ZINC000219819134 456035943 /nfs/dbraw/zinc/03/59/43/456035943.db2.gz UDIAUTSDOYEMKC-HNNXBMFYSA-N 1 1 328.460 3.315 50 0 EGAAMO C[C@@H](NC(=O)N1CCC[N@H+](Cc2cccnc2)CC1)C1CCCCC1 ZINC000426477469 457837985 /nfs/dbraw/zinc/83/79/85/457837985.db2.gz XNXIFYDKFPAWAH-QGZVFWFLSA-N 1 1 344.503 3.268 50 0 EGAAMO C[C@@H](NC(=O)N1CCC[N@@H+](Cc2cccnc2)CC1)C1CCCCC1 ZINC000426477469 457837996 /nfs/dbraw/zinc/83/79/96/457837996.db2.gz XNXIFYDKFPAWAH-QGZVFWFLSA-N 1 1 344.503 3.268 50 0 EGAAMO Cc1[nH+]ccn1CCNC(=O)N(Cc1ccc2[nH]ccc2c1)C1CC1 ZINC000426504665 457846306 /nfs/dbraw/zinc/84/63/06/457846306.db2.gz WDMSSHFKXFBSLL-UHFFFAOYSA-N 1 1 337.427 3.047 50 0 EGAAMO CC[N@@H+](C)C1(CNC(=O)c2ccc(-c3cnccn3)cc2)CCCC1 ZINC000426612238 457862453 /nfs/dbraw/zinc/86/24/53/457862453.db2.gz DOKBPABFNPRFGM-UHFFFAOYSA-N 1 1 338.455 3.138 50 0 EGAAMO Cc1[nH+]ccn1[C@H](C)C(=O)NCc1csc(Cc2ccccc2)n1 ZINC000426635351 457867769 /nfs/dbraw/zinc/86/77/69/457867769.db2.gz KIZXSVAKEUYGPA-CYBMUJFWSA-N 1 1 340.452 3.116 50 0 EGAAMO Cc1ccsc1CN(C(=O)NC[C@H]1CC[N@H+](C(C)C)C1)C1CC1 ZINC000426719770 457883293 /nfs/dbraw/zinc/88/32/93/457883293.db2.gz AXAPXXQFDSPEGA-OAHLLOKOSA-N 1 1 335.517 3.461 50 0 EGAAMO CC[N@@H+](C)C1(CNC(=O)N[C@@H](C)[C@H](O)c2ccccc2)CCCCC1 ZINC000534574428 459334063 /nfs/dbraw/zinc/33/40/63/459334063.db2.gz DFCFIBJNEJWUJZ-WMZOPIPTSA-N 1 1 347.503 3.062 50 0 EGAAMO O=C(NCCF)NC[C@H](c1ccc(Cl)cc1)[NH+]1CCCCC1 ZINC000534631711 459339730 /nfs/dbraw/zinc/33/97/30/459339730.db2.gz FZIYEUORIVJHHZ-OAHLLOKOSA-N 1 1 327.831 3.136 50 0 EGAAMO O=C(NCc1ccc(Cl)cc1)N[C@H]1CC[N@@H+](Cc2ccsc2)C1 ZINC000585150059 459830961 /nfs/dbraw/zinc/83/09/61/459830961.db2.gz PGZCWDGGWWTTMW-INIZCTEOSA-N 1 1 349.887 3.475 50 0 EGAAMO C[C@@H]1C[C@H](C)C[N@H+](C[C@@H](O)COc2ccccc2Br)C1 ZINC000017244362 525382760 /nfs/dbraw/zinc/38/27/60/525382760.db2.gz HCWOSQRJLHEQOL-HZSPNIEDSA-N 1 1 342.277 3.167 50 0 EGAAMO Cc1nc2ccccn2c1C[N@H+]1CCC[C@H](OCc2cccnc2)C1 ZINC000019229543 527177998 /nfs/dbraw/zinc/17/79/98/527177998.db2.gz HCMUPEDSYKMUGN-SFHVURJKSA-N 1 1 336.439 3.219 50 0 EGAAMO Cc1cc(-c2ccc(C(=O)NC[C@H]3CCCO3)cc2)cn2cc[nH+]c12 ZINC000584889976 548098760 /nfs/dbraw/zinc/09/87/60/548098760.db2.gz VUPQFSSSNILSML-GOSISDBHSA-N 1 1 335.407 3.219 50 0 EGAAMO CCC[N@H+]1CC[C@H](NC(=O)N2CCC(Cc3ccccc3)CC2)C1 ZINC000584886830 548099137 /nfs/dbraw/zinc/09/91/37/548099137.db2.gz AQOBRFINQIXRTG-IBGZPJMESA-N 1 1 329.488 3.135 50 0 EGAAMO C[C@H]1C[C@H](C)N1C(=O)[C@@H]1C=C2c3cccc4[nH]cc(c43)C[C@H]2[N@H+](C)C1 ZINC000013491360 581094750 /nfs/dbraw/zinc/09/47/50/581094750.db2.gz DUKNIHFTDAXJON-CTQRGLTFSA-N 1 1 335.451 3.047 50 0 EGAAMO c1coc(-c2n[nH]c3c2C[N@@H+]([C@@H]2CCN(c4ccccc4)C2)CC3)c1 ZINC000019799083 1291194026 /nfs/dbraw/zinc/19/40/26/1291194026.db2.gz WFXIVLJDXLHXKS-MRXNPFEDSA-N 1 1 334.423 3.307 50 0 EGAAMO CC[C@@H](C)c1ccccc1OCC(=O)N(C)CCn1cc[nH+]c1C ZINC000822662313 1320110284 /nfs/dbraw/zinc/11/02/84/1320110284.db2.gz NGRPQHMBIIZANM-OAHLLOKOSA-N 1 1 329.444 3.242 50 0 EGAAMO C[N@H+]1CCCCC[C@H]1C(=O)N1CCC(c2nc3ccccc3o2)CC1 ZINC000823778618 1320206637 /nfs/dbraw/zinc/20/66/37/1320206637.db2.gz FAXFQMTWKFOGCY-KRWDZBQOSA-N 1 1 341.455 3.408 50 0 EGAAMO COc1ccc2c(c1)C=C(C[N@H+]1CC[C@H](n3nc(C)cc3C)C1)CO2 ZINC000824750892 1320282835 /nfs/dbraw/zinc/28/28/35/1320282835.db2.gz FUFHZRIBPBTOTN-SFHVURJKSA-N 1 1 339.439 3.231 50 0 EGAAMO Cc1ccc(Cc2nn3c(nnc3[C@H]3CCC[N@H+](C)C3)s2)cc1C ZINC000951727073 1334308475 /nfs/dbraw/zinc/30/84/75/1334308475.db2.gz YOFXRDYTYGEHHF-HNNXBMFYSA-N 1 1 341.484 3.203 50 0 EGAAMO Cc1n[nH]c(C)c1CCC[N@H+](C)Cc1cnn(-c2cccc(F)c2)c1 ZINC000952970722 1334627841 /nfs/dbraw/zinc/62/78/41/1334627841.db2.gz LTCXWXUXNYZNEC-UHFFFAOYSA-N 1 1 341.434 3.416 50 0 EGAAMO C[C@@H](CC(N)=O)[N@@H+](C)Cc1ccc2ccn(Cc3ccccc3)c2c1 ZINC000952973585 1334627936 /nfs/dbraw/zinc/62/79/36/1334627936.db2.gz FKUGAAYADCTUFC-INIZCTEOSA-N 1 1 335.451 3.385 50 0 EGAAMO C[N@H+]1CCC[C@]2(CO)CCN(Cc3ccc(Cl)cc3Cl)C[C@@H]12 ZINC001704298045 1416432811 /nfs/dbraw/zinc/43/28/11/1416432811.db2.gz DKAYNFBLZRDCOB-IAGOWNOFSA-N 1 1 343.298 3.272 50 0 EGAAMO Cc1cccc(NC(=O)C[N@@H+](C)C[C@@H]2CCN(c3ccccc3)C2)c1 ZINC001704349695 1416452551 /nfs/dbraw/zinc/45/25/51/1416452551.db2.gz UIVNIQXQRYFDAA-SFHVURJKSA-N 1 1 337.467 3.392 50 0 EGAAMO Cc1ccccc1CSc1nc(NC[C@H]2CCCO2)cc(N)[nH+]1 ZINC001772706879 1441417023 /nfs/dbraw/zinc/41/70/23/1441417023.db2.gz YFYYCYNPLYXQQD-CQSZACIVSA-N 1 1 330.457 3.250 50 0 EGAAMO Cc1ccccc1CSc1nc(N)cc(NC[C@H]2CCCO2)[nH+]1 ZINC001772706879 1441417024 /nfs/dbraw/zinc/41/70/24/1441417024.db2.gz YFYYCYNPLYXQQD-CQSZACIVSA-N 1 1 330.457 3.250 50 0 EGAAMO C[C@@H]1C(=O)N2CCC[C@H]2C[N@H+]1C1CCN(c2ccccc2Cl)CC1 ZINC001772805303 1441417451 /nfs/dbraw/zinc/41/74/51/1441417451.db2.gz JRNQFLXIXOEMPY-ZBFHGGJFSA-N 1 1 347.890 3.004 50 0 EGAAMO CN1CC[C@@H]2C[N@@H+](Cc3ccc4c(c3)Cc3ccccc3-4)C[C@@H]2C1=O ZINC001772812939 1441417611 /nfs/dbraw/zinc/41/76/11/1441417611.db2.gz STJFTLLRWWEBHB-UTKZUKDTSA-N 1 1 332.447 3.168 50 0 EGAAMO Cc1c2cc(C)cc(C)c2[nH]c1C(=O)N1C[C@H]2CC[C@@H]1C[N@@H+](C)C2 ZINC000097694652 219048618 /nfs/dbraw/zinc/04/86/18/219048618.db2.gz GJMFHWWXFXXJRC-JKSUJKDBSA-N 1 1 325.456 3.259 50 0 EGAAMO O=C(Nc1cccc(Cl)c1)N1CC[NH+](CCc2ccncc2)CC1 ZINC000013736446 201912925 /nfs/dbraw/zinc/91/29/25/201912925.db2.gz IDICRVXZKLWMME-UHFFFAOYSA-N 1 1 344.846 3.127 50 0 EGAAMO CC(C)NC(=O)NC[C@H]1CCC[N@@H+](Cc2ccnc3ccccc23)C1 ZINC000067472889 215150557 /nfs/dbraw/zinc/15/05/57/215150557.db2.gz BNSPYMKHZQJQJT-MRXNPFEDSA-N 1 1 340.471 3.154 50 0 EGAAMO CN(Cc1ccon1)C[C@H]1CCC[N@@H+](CCc2ccccc2F)C1 ZINC000019300836 202004605 /nfs/dbraw/zinc/00/46/05/202004605.db2.gz HUHINVUQKXLLCX-MRXNPFEDSA-N 1 1 331.435 3.200 50 0 EGAAMO CCCCc1nc2cc(C(=O)NC[C@]3(C)CC[N@@H+](C)C3)ccc2o1 ZINC000019838962 202021924 /nfs/dbraw/zinc/02/19/24/202021924.db2.gz WFQGFQGLJKBZPW-IBGZPJMESA-N 1 1 329.444 3.242 50 0 EGAAMO COCCCNC(=O)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000019893201 202024883 /nfs/dbraw/zinc/02/48/83/202024883.db2.gz JMJCOWBXAZHPOA-UHFFFAOYSA-N 1 1 338.451 3.011 50 0 EGAAMO O=C1O[C@H](N2CC[NH+](C/C=C/c3ccccc3)CC2)c2ccccc21 ZINC000019890326 202025643 /nfs/dbraw/zinc/02/56/43/202025643.db2.gz ZQLDYZHQNDUSEV-ZGBFETHSSA-N 1 1 334.419 3.187 50 0 EGAAMO Fc1ccc(NC(=S)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000020146139 202034373 /nfs/dbraw/zinc/03/43/73/202034373.db2.gz FYXFFXUIRQTSDX-UHFFFAOYSA-N 1 1 329.444 3.340 50 0 EGAAMO OCC[C@H]1CN(Cc2cccc(F)c2F)CC[N@H+]1Cc1ccccc1 ZINC000022920074 202096065 /nfs/dbraw/zinc/09/60/65/202096065.db2.gz YXURSDUDOIJURF-SFHVURJKSA-N 1 1 346.421 3.034 50 0 EGAAMO Cc1oc(-c2cccs2)nc1C[N@@H+]1CCC[C@H](N2CCOCC2)C1 ZINC000023361374 202102395 /nfs/dbraw/zinc/10/23/95/202102395.db2.gz YMDDYTLUDNMLCP-HNNXBMFYSA-N 1 1 347.484 3.008 50 0 EGAAMO Cc1oc(-c2cccs2)nc1C[N@H+]1CCC[C@H](N2CCOCC2)C1 ZINC000023361374 202102398 /nfs/dbraw/zinc/10/23/98/202102398.db2.gz YMDDYTLUDNMLCP-HNNXBMFYSA-N 1 1 347.484 3.008 50 0 EGAAMO C[N@@H+](Cc1ccccc1)[C@H]1CCCN(Cc2ccc3nonc3c2)C1 ZINC000023373291 202103774 /nfs/dbraw/zinc/10/37/74/202103774.db2.gz YPWDMHLBWXWMFV-SFHVURJKSA-N 1 1 336.439 3.319 50 0 EGAAMO O=C(C[N@@H+]1CCC[C@H](c2cc[nH]n2)C1)N1CCC[C@@H]1c1cccs1 ZINC000072270619 202359866 /nfs/dbraw/zinc/35/98/66/202359866.db2.gz HESIWDKYGNSPGV-GOEBONIOSA-N 1 1 344.484 3.014 50 0 EGAAMO O=C(C[N@H+]1CCC[C@H](c2cc[nH]n2)C1)N1CCC[C@@H]1c1cccs1 ZINC000072270619 202359869 /nfs/dbraw/zinc/35/98/69/202359869.db2.gz HESIWDKYGNSPGV-GOEBONIOSA-N 1 1 344.484 3.014 50 0 EGAAMO COc1c(C[NH2+][C@@H]2CCOc3c(C)cccc32)c(C(C)C)nn1C ZINC000058428962 201142678 /nfs/dbraw/zinc/14/26/78/201142678.db2.gz URLWHICGTKMDRB-MRXNPFEDSA-N 1 1 329.444 3.474 50 0 EGAAMO C[N@@H+](CC[C@H](O)c1ccccc1)Cc1cnc(N2CCCCC2)nc1 ZINC000215048244 241102839 /nfs/dbraw/zinc/10/28/39/241102839.db2.gz CJLYHJXRVGNQQH-IBGZPJMESA-N 1 1 340.471 3.022 50 0 EGAAMO c1ccc(C[N@@H+](Cc2ccc3c(c2)OCCO3)C[C@H]2CCCO2)nc1 ZINC000216189749 241171592 /nfs/dbraw/zinc/17/15/92/241171592.db2.gz KOGNZXAUKXZAGZ-GOSISDBHSA-N 1 1 340.423 3.034 50 0 EGAAMO c1ccc(C[N@H+](Cc2ccc3c(c2)OCCO3)C[C@H]2CCCO2)nc1 ZINC000216189749 241171601 /nfs/dbraw/zinc/17/16/01/241171601.db2.gz KOGNZXAUKXZAGZ-GOSISDBHSA-N 1 1 340.423 3.034 50 0 EGAAMO CCCn1ncc(C[N@@H+](Cc2ccncc2)C[C@H]2CCCO2)c1C ZINC000215533846 241130752 /nfs/dbraw/zinc/13/07/52/241130752.db2.gz JWDOAPFLWCGCCR-LJQANCHMSA-N 1 1 328.460 3.178 50 0 EGAAMO CCCn1ncc(C[N@H+](Cc2ccncc2)C[C@H]2CCCO2)c1C ZINC000215533846 241130758 /nfs/dbraw/zinc/13/07/58/241130758.db2.gz JWDOAPFLWCGCCR-LJQANCHMSA-N 1 1 328.460 3.178 50 0 EGAAMO CCc1ccc(C[N@@H+](C)CC2(N3CCOCC3)CCCCC2)nc1 ZINC000215593181 241133217 /nfs/dbraw/zinc/13/32/17/241133217.db2.gz VAEGCNYJTYOBFK-UHFFFAOYSA-N 1 1 331.504 3.111 50 0 EGAAMO CCc1ccc(CN(C)CC2([NH+]3CCOCC3)CCCCC2)nc1 ZINC000215593181 241133224 /nfs/dbraw/zinc/13/32/24/241133224.db2.gz VAEGCNYJTYOBFK-UHFFFAOYSA-N 1 1 331.504 3.111 50 0 EGAAMO Cc1cc(C)n2ncc(C[N@@H+](C)C[C@@H]3CCN(c4ccccc4)C3)c2n1 ZINC000215579771 241133880 /nfs/dbraw/zinc/13/38/80/241133880.db2.gz RXRVKBIMDJCLQG-SFHVURJKSA-N 1 1 349.482 3.304 50 0 EGAAMO CCC1=NO[C@@H](C[N@H+]2CCCN(c3nc4ccccc4s3)CC2)C1 ZINC000244708084 243063387 /nfs/dbraw/zinc/06/33/87/243063387.db2.gz KNCUMQGAMDEMOS-OAHLLOKOSA-N 1 1 344.484 3.363 50 0 EGAAMO Nc1cc(N2CCc3onc(-c4cccc5ccccc54)c3C2)nc[nH+]1 ZINC000071315619 203091847 /nfs/dbraw/zinc/09/18/47/203091847.db2.gz LOJARADAEKZFKC-UHFFFAOYSA-N 1 1 343.390 3.430 50 0 EGAAMO CC[C@@H]1C[N@@H+](Cc2ccc(O)cc2)CCC(=O)N1Cc1ccccc1 ZINC000071681671 203102893 /nfs/dbraw/zinc/10/28/93/203102893.db2.gz AKTAUOMKHYGYSI-LJQANCHMSA-N 1 1 338.451 3.405 50 0 EGAAMO CC[C@H]1C[N@@H+](Cc2c(C)n[nH]c2C)CCC(=O)N1Cc1ccccc1 ZINC000071708035 203103607 /nfs/dbraw/zinc/10/36/07/203103607.db2.gz BVVNLXGKFGKJIX-SFHVURJKSA-N 1 1 340.471 3.040 50 0 EGAAMO CN(C)c1ncc(C[N@H+]2CCCN(Cc3ccc(F)cc3)CC2)s1 ZINC000072126577 203165239 /nfs/dbraw/zinc/16/52/39/203165239.db2.gz MAZTVHULAVGJLU-UHFFFAOYSA-N 1 1 348.491 3.056 50 0 EGAAMO CN(C)c1ncc(CN2CCC[N@H+](Cc3ccc(F)cc3)CC2)s1 ZINC000072126577 203165243 /nfs/dbraw/zinc/16/52/43/203165243.db2.gz MAZTVHULAVGJLU-UHFFFAOYSA-N 1 1 348.491 3.056 50 0 EGAAMO CN(C)c1ncc(CN2CCC[N@@H+](Cc3ccc(F)cc3)CC2)s1 ZINC000072126577 203165247 /nfs/dbraw/zinc/16/52/47/203165247.db2.gz MAZTVHULAVGJLU-UHFFFAOYSA-N 1 1 348.491 3.056 50 0 EGAAMO COc1ccc([C@@H]2C[N@@H+](Cc3ccncc3)[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000072148995 203171059 /nfs/dbraw/zinc/17/10/59/203171059.db2.gz JFPIKNZWSRABAN-BHDDXSALSA-N 1 1 349.478 3.152 50 0 EGAAMO COc1ccc([C@@H]2CN(Cc3ccncc3)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000072148995 203171064 /nfs/dbraw/zinc/17/10/64/203171064.db2.gz JFPIKNZWSRABAN-BHDDXSALSA-N 1 1 349.478 3.152 50 0 EGAAMO COCCc1noc([C@@H]2CCC[N@@H+](Cc3ccc(SC)cc3)C2)n1 ZINC000072167295 203179561 /nfs/dbraw/zinc/17/95/61/203179561.db2.gz CJIKFPJKBYSWPB-OAHLLOKOSA-N 1 1 347.484 3.360 50 0 EGAAMO Fc1cccc(C[N@@H+]2CCC[C@]3(CCN(c4cnccn4)C3)C2)c1F ZINC000072409278 203216983 /nfs/dbraw/zinc/21/69/83/203216983.db2.gz BTWJGGLBENUMPN-IBGZPJMESA-N 1 1 344.409 3.247 50 0 EGAAMO Fc1cccc(C[N@H+]2CCC[C@]3(CCN(c4cnccn4)C3)C2)c1F ZINC000072409278 203216986 /nfs/dbraw/zinc/21/69/86/203216986.db2.gz BTWJGGLBENUMPN-IBGZPJMESA-N 1 1 344.409 3.247 50 0 EGAAMO Cc1cc2nc(C(C)C)cc(N(C)C[C@@H]3CC[N@H+](C(C)C)C3)n2n1 ZINC000072436468 203224167 /nfs/dbraw/zinc/22/41/67/203224167.db2.gz KBDJQCXRWQSXFZ-INIZCTEOSA-N 1 1 329.492 3.328 50 0 EGAAMO Cc1ccccc1[C@H]1CC[N@H+](CCNC(=O)c2cc(C(C)C)on2)C1 ZINC000077419238 203387437 /nfs/dbraw/zinc/38/74/37/203387437.db2.gz KNDUFQCDUITXOY-INIZCTEOSA-N 1 1 341.455 3.326 50 0 EGAAMO O=C([C@H]1[C@@H]2C[N@@H+](C3CCCC3)C[C@@H]21)N1CCc2c3ccccc3[nH]c2C1 ZINC000102839788 204051804 /nfs/dbraw/zinc/05/18/04/204051804.db2.gz RIADSSBNGTZUPL-WGMWDUQUSA-N 1 1 349.478 3.173 50 0 EGAAMO CC[C@@H](C)CC(=O)NCC[N@H+]1Cc2cc(OC)ccc2O[C@H](CC)C1 ZINC000012052581 207062666 /nfs/dbraw/zinc/06/26/66/207062666.db2.gz FANRPCSHUCQHGO-NVXWUHKLSA-N 1 1 348.487 3.221 50 0 EGAAMO CC[C@@H](C)CC(=O)NCC[N@@H+]1Cc2cc(OC)ccc2O[C@H](CC)C1 ZINC000012052581 207062671 /nfs/dbraw/zinc/06/26/71/207062671.db2.gz FANRPCSHUCQHGO-NVXWUHKLSA-N 1 1 348.487 3.221 50 0 EGAAMO CO[C@]12CC[N@@H+](Cc3cccc4c(C)c(C)[nH]c43)[C@H]1C[C@@H](O)CC2 ZINC000299780111 258089073 /nfs/dbraw/zinc/08/90/73/258089073.db2.gz JVWLCLNKKNRWCT-XKGZKEIXSA-N 1 1 328.456 3.289 50 0 EGAAMO Cc1csc([C@H](C)[N@H+](C)CCC(=O)NCc2ccccc2F)n1 ZINC000299803183 258105899 /nfs/dbraw/zinc/10/58/99/258105899.db2.gz ZLCCVPPXZOYCCI-ZDUSSCGKSA-N 1 1 335.448 3.290 50 0 EGAAMO Cc1csc([C@H](C)[N@@H+](C)CCC(=O)NCc2ccccc2F)n1 ZINC000299803183 258105901 /nfs/dbraw/zinc/10/59/01/258105901.db2.gz ZLCCVPPXZOYCCI-ZDUSSCGKSA-N 1 1 335.448 3.290 50 0 EGAAMO O=C(NCCCc1cccnc1)[C@H]1C[C@@H](c2ccccc2)[N@H+]2CCC[C@H]12 ZINC000299765707 258081066 /nfs/dbraw/zinc/08/10/66/258081066.db2.gz QICCYOVHOUDYQE-HBMCJLEFSA-N 1 1 349.478 3.356 50 0 EGAAMO O=C([C@H]1CCCO1)N1CCC[N@@H+](Cc2cc3ccccc3s2)CC1 ZINC000372434624 157330466 /nfs/dbraw/zinc/33/04/66/157330466.db2.gz DGKDSPOQCPQKLB-QGZVFWFLSA-N 1 1 344.480 3.115 50 0 EGAAMO COc1ncc(C[N@H+]2CCC[C@@]3(C=Cc4ccccc4O3)CC2)cn1 ZINC000065375551 274169018 /nfs/dbraw/zinc/16/90/18/274169018.db2.gz YIGSAJAGRCDFTP-HXUWFJFHSA-N 1 1 337.423 3.316 50 0 EGAAMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@H]1N2C(=O)c1ccn(C(F)F)n1 ZINC000239412359 455261888 /nfs/dbraw/zinc/26/18/88/455261888.db2.gz SPBUKKYCEGEMTD-CZUORRHYSA-N 1 1 346.381 3.035 50 0 EGAAMO Cc1cccc2nc(CN(C)CCC(=O)Nc3ccccc3F)[nH]c21 ZINC000240228090 455263646 /nfs/dbraw/zinc/26/36/46/455263646.db2.gz KFXHIALJSUHVFU-UHFFFAOYSA-N 1 1 340.402 3.471 50 0 EGAAMO Cc1cccc2[nH]c(C[N@H+](C)CCC(=O)Nc3ccccc3F)nc21 ZINC000240228090 455263648 /nfs/dbraw/zinc/26/36/48/455263648.db2.gz KFXHIALJSUHVFU-UHFFFAOYSA-N 1 1 340.402 3.471 50 0 EGAAMO Cc1cccc2[nH]c(C[N@@H+](C)CCC(=O)Nc3ccccc3F)nc21 ZINC000240228090 455263650 /nfs/dbraw/zinc/26/36/50/455263650.db2.gz KFXHIALJSUHVFU-UHFFFAOYSA-N 1 1 340.402 3.471 50 0 EGAAMO COc1ccccc1[C@@H]1CCC[N@H+]1CCC(=O)Nc1cccnc1 ZINC000240971659 455265702 /nfs/dbraw/zinc/26/57/02/455265702.db2.gz UARQENFRFNAXFS-KRWDZBQOSA-N 1 1 325.412 3.256 50 0 EGAAMO Cc1cc(C)nc(C[N@@H+](C)CCC(=O)Nc2ccc(F)cc2F)c1 ZINC000244700919 455276055 /nfs/dbraw/zinc/27/60/55/455276055.db2.gz JWFOGSHIAJIPSR-UHFFFAOYSA-N 1 1 333.382 3.437 50 0 EGAAMO Cc1ccc(NCCCNC(=O)Nc2ccc3c(c2)COC3)[nH+]c1 ZINC000244724456 455276081 /nfs/dbraw/zinc/27/60/81/455276081.db2.gz MUMALANVLPECKF-UHFFFAOYSA-N 1 1 326.400 3.044 50 0 EGAAMO CCN(CC)C(=O)[C@H]1CCC[N@@H+](Cc2ccc(OC)c(C)c2C)C1 ZINC000000240812 452543632 /nfs/dbraw/zinc/54/36/32/452543632.db2.gz FKHYCKSMEFPWDG-SFHVURJKSA-N 1 1 332.488 3.392 50 0 EGAAMO COc1ccc(C[NH+]2CCN(c3ccccc3)CC2)c(OC)c1C ZINC000001227379 452649374 /nfs/dbraw/zinc/64/93/74/452649374.db2.gz OKUNALWSSCKECX-UHFFFAOYSA-N 1 1 326.440 3.334 50 0 EGAAMO COc1ccc(-c2cc(C[NH2+]Cc3ccc4c(c3)OCO4)on2)cc1 ZINC000004784232 452816521 /nfs/dbraw/zinc/81/65/21/452816521.db2.gz BGPZVMRAYRHOSZ-UHFFFAOYSA-N 1 1 338.363 3.369 50 0 EGAAMO C[NH+]1CCN(c2ccc(NC(=O)c3ccc(F)cc3)cc2Cl)CC1 ZINC000004842516 452821600 /nfs/dbraw/zinc/82/16/00/452821600.db2.gz PPSTVZZZPOZKKJ-UHFFFAOYSA-N 1 1 347.821 3.483 50 0 EGAAMO COc1ccc(C[C@@H]2c3cc(O)c(OC)cc3CC[N@@H+]2C)cc1OC ZINC000005082112 452835799 /nfs/dbraw/zinc/83/57/99/452835799.db2.gz OKORHWXYDBSYNO-MRXNPFEDSA-N 1 1 343.423 3.190 50 0 endogenous,in-man EGAAMO COc1ccc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](C)C4)cc1 ZINC000005274688 452855112 /nfs/dbraw/zinc/85/51/12/452855112.db2.gz UHHXHSONRASFFZ-HNNXBMFYSA-N 1 1 329.425 3.174 50 0 EGAAMO COc1ccc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](C)C4)cc1 ZINC000005274688 452855126 /nfs/dbraw/zinc/85/51/26/452855126.db2.gz UHHXHSONRASFFZ-HNNXBMFYSA-N 1 1 329.425 3.174 50 0 EGAAMO Cc1cc(C)cc(N2C(=[NH2+])NC(=N)N[C@@H]2c2cccc(Cl)c2)c1 ZINC000006785883 452989132 /nfs/dbraw/zinc/98/91/32/452989132.db2.gz KAWRECNOSIGRKM-HNNXBMFYSA-N 1 1 327.819 3.105 50 0 EGAAMO CC[C@H]1CCCC[N@H+]1CCCNS(=O)(=O)Cc1ccc(C)cc1 ZINC000010544235 453295165 /nfs/dbraw/zinc/29/51/65/453295165.db2.gz VCCIDYVNTMJLPZ-SFHVURJKSA-N 1 1 338.517 3.069 50 0 EGAAMO COc1cccc(CN2CC[N@@H+](Cc3cccc(C)c3)CCC2=O)c1 ZINC000012279570 453354874 /nfs/dbraw/zinc/35/48/74/453354874.db2.gz XELDYAVMMUPOSX-UHFFFAOYSA-N 1 1 338.451 3.238 50 0 EGAAMO C[C@@H]1CCCC[N@H+]1C[C@@H](O)COc1ccc(Br)cc1 ZINC000012377827 453358770 /nfs/dbraw/zinc/35/87/70/453358770.db2.gz PXZKDSWGKAGWIE-TZMCWYRMSA-N 1 1 328.250 3.063 50 0 EGAAMO C[N@H+]1CCCCC[C@@H]1C(=O)NCc1cccnc1Oc1ccccc1 ZINC000012448153 453365536 /nfs/dbraw/zinc/36/55/36/453365536.db2.gz LZWBMVGQOJXUSU-GOSISDBHSA-N 1 1 339.439 3.365 50 0 EGAAMO O=C(CC[C@@H]1CCC[N@H+](C2CCOCC2)C1)Nc1ccccc1F ZINC000012576222 453379382 /nfs/dbraw/zinc/37/93/82/453379382.db2.gz GUNDMYKLHQWMGN-HNNXBMFYSA-N 1 1 334.435 3.435 50 0 EGAAMO COc1ccc(CN2CC[N@@H+](Cc3ccc(C)s3)CCC2=O)cc1 ZINC000014963314 453549446 /nfs/dbraw/zinc/54/94/46/453549446.db2.gz HTQAYCHMWVIAHR-UHFFFAOYSA-N 1 1 344.480 3.300 50 0 EGAAMO CC(C)c1ccc(C[N@@H+]2CCc3nnc([C@H]4CCCO4)n3CC2)cc1 ZINC000014998546 453550696 /nfs/dbraw/zinc/55/06/96/453550696.db2.gz HJCCAGZFUKWYQI-GOSISDBHSA-N 1 1 340.471 3.311 50 0 EGAAMO Cc1nn(C)cc1C[N@H+]1CCC[C@H](C(=O)c2ccc(Cl)cc2)C1 ZINC000015077047 453554371 /nfs/dbraw/zinc/55/43/71/453554371.db2.gz NXVHVQDLIZFEKJ-HNNXBMFYSA-N 1 1 331.847 3.477 50 0 EGAAMO CC(C)[N@H+]1CCN(Cc2cnc(-c3ccccc3)s2)C[C@@H]1CCO ZINC000019228262 453655563 /nfs/dbraw/zinc/65/55/63/453655563.db2.gz MJVZWTZKWIDRCZ-KRWDZBQOSA-N 1 1 345.512 3.087 50 0 EGAAMO CN(C[C@@H]1Cc2ccccc2C[N@H+]1C)C(=O)c1ccn(C(C)(C)C)c1 ZINC000082096769 453923380 /nfs/dbraw/zinc/92/33/80/453923380.db2.gz LJECOKBDNAKNIX-IBGZPJMESA-N 1 1 339.483 3.372 50 0 EGAAMO CC(C)=CCC/C(C)=C/C[N@@H+]1CCn2nc(CNC(C)=O)cc2C1 ZINC000082109129 453924618 /nfs/dbraw/zinc/92/46/18/453924618.db2.gz FGNQJNQIHORNAF-LZYBPNLTSA-N 1 1 330.476 3.028 50 0 EGAAMO CC(C)=CCC/C(C)=C/C[N@H+]1CCn2nc(CNC(C)=O)cc2C1 ZINC000082109129 453924621 /nfs/dbraw/zinc/92/46/21/453924621.db2.gz FGNQJNQIHORNAF-LZYBPNLTSA-N 1 1 330.476 3.028 50 0 EGAAMO CSCc1ccc(N2CC[NH+](Cc3cccc(F)c3)CC2)nc1 ZINC000082157676 453926834 /nfs/dbraw/zinc/92/68/34/453926834.db2.gz RFVFJKFNBCCAIV-UHFFFAOYSA-N 1 1 331.460 3.406 50 0 EGAAMO O=C(CCCCc1ccccc1)N1CCCC[C@@H]1C[NH+]1CCOCC1 ZINC000082146706 453927071 /nfs/dbraw/zinc/92/70/71/453927071.db2.gz KYBMJZFMDJQGTD-HXUWFJFHSA-N 1 1 344.499 3.113 50 0 EGAAMO CC(C)C[N@@H+](C)C[C@@]1(O)CCCN(Cc2ccc(C(C)C)cc2)C1=O ZINC000067560117 453943436 /nfs/dbraw/zinc/94/34/36/453943436.db2.gz WBROKSLWSOQEBF-NRFANRHFSA-N 1 1 346.515 3.251 50 0 EGAAMO Cc1ccc(-c2c[nH]nc2[C@H]2CCCN(c3nc(N)cc[nH+]3)C2)cc1 ZINC000067642541 453952283 /nfs/dbraw/zinc/95/22/83/453952283.db2.gz YTDYVORNAVTVDH-HNNXBMFYSA-N 1 1 334.427 3.141 50 0 EGAAMO CC1(C)CC(N2CCC[C@@H](C(=O)c3ccccn3)C2)CC(C)(C)[NH2+]1 ZINC000067654566 453953590 /nfs/dbraw/zinc/95/35/90/453953590.db2.gz KAMGYWNBURLGCV-OAHLLOKOSA-N 1 1 329.488 3.286 50 0 EGAAMO COCC[N@H+](Cc1ccc(C)cc1)Cc1cnc(-c2ccccn2)nc1 ZINC000055245031 453972001 /nfs/dbraw/zinc/97/20/01/453972001.db2.gz PTXLYMDVIMVXMN-UHFFFAOYSA-N 1 1 348.450 3.496 50 0 EGAAMO COCC[N@@H+](Cc1ccc(C)cc1)Cc1cnc(-c2ccccn2)nc1 ZINC000055245031 453972004 /nfs/dbraw/zinc/97/20/04/453972004.db2.gz PTXLYMDVIMVXMN-UHFFFAOYSA-N 1 1 348.450 3.496 50 0 EGAAMO CC(=O)N[C@@H]1CC[N@H+](Cc2nc(-c3cccc(Cl)c3)oc2C)C1 ZINC000067886653 453976978 /nfs/dbraw/zinc/97/69/78/453976978.db2.gz IWXJYXIFMFJCNN-OAHLLOKOSA-N 1 1 333.819 3.014 50 0 EGAAMO CC(=O)N[C@@H]1CC[N@@H+](Cc2nc(-c3cccc(Cl)c3)oc2C)C1 ZINC000067886653 453976980 /nfs/dbraw/zinc/97/69/80/453976980.db2.gz IWXJYXIFMFJCNN-OAHLLOKOSA-N 1 1 333.819 3.014 50 0 EGAAMO CC(C)C[N@@H+](Cc1cnn(C)c1)Cc1cccn1-c1nccs1 ZINC000055343346 453977749 /nfs/dbraw/zinc/97/77/49/453977749.db2.gz SFMLSCJQTGBLNG-UHFFFAOYSA-N 1 1 329.473 3.326 50 0 EGAAMO COc1ccc(C[N@@H+](CCO)Cc2ccc(SC)cc2)cc1O ZINC000055393212 453980770 /nfs/dbraw/zinc/98/07/70/453980770.db2.gz DKVKNYCWGPWWEH-UHFFFAOYSA-N 1 1 333.453 3.117 50 0 EGAAMO Cc1ccsc1CN(CC[NH+](C)C)C(=O)c1c(O)cccc1F ZINC000055568843 453995389 /nfs/dbraw/zinc/99/53/89/453995389.db2.gz PCORKHHWPVRBLB-UHFFFAOYSA-N 1 1 336.432 3.105 50 0 EGAAMO Cc1ccc(C[N@@H+]2CCc3[nH]nc(-c4ccc5c(c4)OCO5)c3C2)o1 ZINC000042915191 454031182 /nfs/dbraw/zinc/03/11/82/454031182.db2.gz RLXXIYHFAFISSQ-UHFFFAOYSA-N 1 1 337.379 3.265 50 0 EGAAMO Cc1ccc(C[N@H+]2CCc3[nH]nc(-c4ccc5c(c4)OCO5)c3C2)o1 ZINC000042915191 454031184 /nfs/dbraw/zinc/03/11/84/454031184.db2.gz RLXXIYHFAFISSQ-UHFFFAOYSA-N 1 1 337.379 3.265 50 0 EGAAMO C[N@H+]1CCC[C@@H](CCC(=O)NCc2cc(-c3cccc(F)c3)no2)C1 ZINC000095357906 454197444 /nfs/dbraw/zinc/19/74/44/454197444.db2.gz RZNQVJHGOXMKHF-AWEZNQCLSA-N 1 1 345.418 3.219 50 0 EGAAMO Cc1ccc([C@H](C(=O)N(C)Cc2cc(C)cc(C)n2)[NH+](C)C)cc1 ZINC000095365592 454197530 /nfs/dbraw/zinc/19/75/30/454197530.db2.gz JZKRHFGCJSTKTA-LJQANCHMSA-N 1 1 325.456 3.268 50 0 EGAAMO CCCCn1ccnc1[C@@H]1CCC[N@@H+](Cc2ccc(C(N)=O)cc2)C1 ZINC000095372683 454198501 /nfs/dbraw/zinc/19/85/01/454198501.db2.gz OIAHYJVUGNDPIE-GOSISDBHSA-N 1 1 340.471 3.162 50 0 EGAAMO C[N@H+]1CCC[C@H](CCC(=O)N2CCC(Oc3ccc(F)cc3)CC2)C1 ZINC000095373211 454198671 /nfs/dbraw/zinc/19/86/71/454198671.db2.gz NQCXEPFDXCZMRO-MRXNPFEDSA-N 1 1 348.462 3.318 50 0 EGAAMO CCCc1cc(N2CCC([N@@H+](C)C[C@@H]3CCCCO3)CC2)nc(C)n1 ZINC000095513244 454224895 /nfs/dbraw/zinc/22/48/95/454224895.db2.gz IQNMXVYGGKGLRT-IBGZPJMESA-N 1 1 346.519 3.207 50 0 EGAAMO C[N@H+]1CCC[C@@H](c2nc(-c3ccncc3)nn2Cc2ccccc2)C1 ZINC000095510468 454225502 /nfs/dbraw/zinc/22/55/02/454225502.db2.gz BQAGAPUZTPAMPM-GOSISDBHSA-N 1 1 333.439 3.198 50 0 EGAAMO C[C@]1(c2ccccc2)CCC[N@@H+](CCC(=O)NCc2ccco2)C1 ZINC000095521663 454227955 /nfs/dbraw/zinc/22/79/55/454227955.db2.gz LLGUKYVZIHLKLG-FQEVSTJZSA-N 1 1 326.440 3.340 50 0 EGAAMO C[N@H+]1C[C@@H](c2ccccc2)CC12CCN(C(=O)c1ccncc1)CC2 ZINC000095530222 454229296 /nfs/dbraw/zinc/22/92/96/454229296.db2.gz FKDQPDLRTDTAIH-IBGZPJMESA-N 1 1 335.451 3.176 50 0 EGAAMO CCC[C@H]1C[N@@H+](Cc2ccco2)C[C@@H]1NC(=O)CCC(F)(F)F ZINC000091364981 454429943 /nfs/dbraw/zinc/42/99/43/454429943.db2.gz FQDYICFGKRASOQ-JSGCOSHPSA-N 1 1 332.366 3.339 50 0 EGAAMO COCC[C@]1(O)CC[N@H+](Cc2cc(F)cc(C(F)(F)F)c2)C[C@H]1C ZINC000091391507 454432351 /nfs/dbraw/zinc/43/23/51/454432351.db2.gz LCJHSJCVBLNWDP-MLGOLLRUSA-N 1 1 349.368 3.454 50 0 EGAAMO COCC[C@]1(O)CC[N@@H+](Cc2cc(F)cc(C(F)(F)F)c2)C[C@H]1C ZINC000091391507 454432355 /nfs/dbraw/zinc/43/23/55/454432355.db2.gz LCJHSJCVBLNWDP-MLGOLLRUSA-N 1 1 349.368 3.454 50 0 EGAAMO Cc1cc(C)n([C@H]2CC[N@@H+](Cc3cnn(-c4cccc(F)c4)c3)C2)n1 ZINC000097529047 454440668 /nfs/dbraw/zinc/44/06/68/454440668.db2.gz BZBPYEZLIOOUDD-IBGZPJMESA-N 1 1 339.418 3.272 50 0 EGAAMO CCOCc1cc(C[N@H+]2CCC[C@H](c3ccncn3)C2)ccc1OC ZINC000097742582 454445500 /nfs/dbraw/zinc/44/55/00/454445500.db2.gz PKWSMHKSESCACZ-KRWDZBQOSA-N 1 1 341.455 3.401 50 0 EGAAMO O=C(c1ccc[nH]1)N1C[C@H]2CC[C@@H]1C[N@@H+](CCCc1ccccc1)C2 ZINC000091680607 454456658 /nfs/dbraw/zinc/45/66/58/454456658.db2.gz FHJNZPCJIVTXHA-RBUKOAKNSA-N 1 1 337.467 3.184 50 0 EGAAMO O=C(CCC(F)(F)F)N1C[C@H]2CC[C@H](C[N@@H+]2Cc2ccccc2)C1 ZINC000091808181 454474890 /nfs/dbraw/zinc/47/48/90/454474890.db2.gz JQVJOIWNTWWIBS-HZPDHXFCSA-N 1 1 340.389 3.452 50 0 EGAAMO CSc1ccc(C[N@H+]2CC[C@@](O)(C3CCOCC3)[C@H](C)C2)cc1 ZINC000091943697 454491495 /nfs/dbraw/zinc/49/14/95/454491495.db2.gz IUASUXFIXIKKQS-BEFAXECRSA-N 1 1 335.513 3.408 50 0 EGAAMO CCC[C@@]1(CO)CCC[N@@H+](Cc2cc(OC)c(OC)cc2F)C1 ZINC000092082087 454518667 /nfs/dbraw/zinc/51/86/67/454518667.db2.gz IEBUETDQVMGPDE-GOSISDBHSA-N 1 1 325.424 3.218 50 0 EGAAMO O=C(NCc1ccco1)N1CCCC[C@H]1C1=CCC[N@H+](CCCF)C1 ZINC000065366089 454554392 /nfs/dbraw/zinc/55/43/92/454554392.db2.gz QDIOCNLBKALUDS-SFHVURJKSA-N 1 1 349.450 3.335 50 0 EGAAMO COc1ccc(/C=C/C[N@H+]2CCCN(C(=O)C3CCC3)CC2)cc1 ZINC000065383041 454557980 /nfs/dbraw/zinc/55/79/80/454557980.db2.gz XBTFQFGRPTZJGD-HWKANZROSA-N 1 1 328.456 3.043 50 0 EGAAMO Cc1nc(N[C@H]2CCC[N@@H+](Cc3cccnc3)C2)cc(C(C)C)n1 ZINC000065393531 454559277 /nfs/dbraw/zinc/55/92/77/454559277.db2.gz JASJBBNJHXACNS-KRWDZBQOSA-N 1 1 325.460 3.380 50 0 EGAAMO Cc1ccsc1[C@@H]1CC[N@H+](Cc2sc(N)nc2Cl)C[C@H]1O ZINC000065493554 454577121 /nfs/dbraw/zinc/57/71/21/454577121.db2.gz ZNUHXOXSRLXKSY-NXEZZACHSA-N 1 1 343.905 3.099 50 0 EGAAMO Cc1ccsc1[C@@H]1CC[N@@H+](Cc2sc(N)nc2Cl)C[C@H]1O ZINC000065493554 454577125 /nfs/dbraw/zinc/57/71/25/454577125.db2.gz ZNUHXOXSRLXKSY-NXEZZACHSA-N 1 1 343.905 3.099 50 0 EGAAMO CC(C)=CC[N@H+]1CCN(C/C=C/c2ccc(F)cc2)C[C@H]1CCO ZINC000105275601 454632589 /nfs/dbraw/zinc/63/25/89/454632589.db2.gz CCBVTOSCDSMSSQ-WUUFJKRQSA-N 1 1 332.463 3.174 50 0 EGAAMO COc1ccc(NC(=O)N2CCC[N@H+](C3CCCC3)CC2)c(C)c1 ZINC000172484985 455157128 /nfs/dbraw/zinc/15/71/28/455157128.db2.gz MNHDACWCIVYFKM-UHFFFAOYSA-N 1 1 331.460 3.486 50 0 EGAAMO C[C@H]1C[N@@H+](C)CCCN1Cc1cnc(-c2ccc(Cl)cc2)nc1 ZINC000216018629 456027910 /nfs/dbraw/zinc/02/79/10/456027910.db2.gz VYFTVEPUCKPCCI-AWEZNQCLSA-N 1 1 330.863 3.323 50 0 EGAAMO CC(C)c1[nH+]ccn1[C@@H](C)C(=O)NCCc1nc2ccccc2o1 ZINC000223846103 456061336 /nfs/dbraw/zinc/06/13/36/456061336.db2.gz VAIOFPULTXEHEF-ZDUSSCGKSA-N 1 1 326.400 3.068 50 0 EGAAMO Cc1ccccc1C1(NC(=O)N2C[C@H]3CCC[C@@H](C2)[N@@H+](C)C3)CC1 ZINC000584895216 459819367 /nfs/dbraw/zinc/81/93/67/459819367.db2.gz GUKSTEOSHUVESX-IRXDYDNUSA-N 1 1 327.472 3.110 50 0 EGAAMO C[C@H](c1ccccn1)[N@H+](C)Cc1cccc(C(=O)Nc2nccn2C)c1 ZINC000067910213 472108490 /nfs/dbraw/zinc/10/84/90/472108490.db2.gz HTXNZLZFPBZKIH-OAHLLOKOSA-N 1 1 349.438 3.260 50 0 EGAAMO C[C@H](c1ccccn1)[N@@H+](C)Cc1cccc(C(=O)Nc2nccn2C)c1 ZINC000067910213 472108496 /nfs/dbraw/zinc/10/84/96/472108496.db2.gz HTXNZLZFPBZKIH-OAHLLOKOSA-N 1 1 349.438 3.260 50 0 EGAAMO CCC(=O)Nc1ccc(N2CC[NH+](Cc3ccccc3F)CC2)cc1 ZINC000057330563 535333765 /nfs/dbraw/zinc/33/37/65/535333765.db2.gz TUOYAEPOLIHVSQ-UHFFFAOYSA-N 1 1 341.430 3.496 50 0 EGAAMO CC[C@H](CO)[N@@H+](Cc1ccc(-c2cc[nH]n2)s1)Cc1ccccn1 ZINC000055244524 546558546 /nfs/dbraw/zinc/55/85/46/546558546.db2.gz IKPLIUNWPGWJRV-OAHLLOKOSA-N 1 1 342.468 3.306 50 0 EGAAMO COC[C@H]1CCC[N@@H+](Cc2ccc3cc(NC(C)=O)ccc3n2)C1 ZINC000670443404 548215461 /nfs/dbraw/zinc/21/54/61/548215461.db2.gz WINJHDUZXWALNW-HNNXBMFYSA-N 1 1 327.428 3.052 50 0 EGAAMO Cc1ccccc1[C@H]1CC[N@@H+](CCNC(=O)Cc2cccs2)C1 ZINC000670440580 548215600 /nfs/dbraw/zinc/21/56/00/548215600.db2.gz MLOVPJUARNPZOX-INIZCTEOSA-N 1 1 328.481 3.205 50 0 EGAAMO COc1cccc(C[N@H+](C)Cc2cnc(C(F)(F)F)nc2C)c1 ZINC000670451378 548218269 /nfs/dbraw/zinc/21/82/69/548218269.db2.gz PWAYVAZWCRCGKC-UHFFFAOYSA-N 1 1 325.334 3.444 50 0 EGAAMO COc1cccc(C[N@@H+](C)Cc2cnc(C(F)(F)F)nc2C)c1 ZINC000670451378 548218273 /nfs/dbraw/zinc/21/82/73/548218273.db2.gz PWAYVAZWCRCGKC-UHFFFAOYSA-N 1 1 325.334 3.444 50 0 EGAAMO CC(C)(C(=O)NCC[N@H+]1CCC[C@@H](c2ccccc2)C1)n1cccc1 ZINC000670467592 548220328 /nfs/dbraw/zinc/22/03/28/548220328.db2.gz MZCIJYSMEVWALI-LJQANCHMSA-N 1 1 339.483 3.219 50 0 EGAAMO CCCCn1c(C[N@H+](C)C2CCCCC2)cnc1S(=O)(=O)CC ZINC000012316816 1291132142 /nfs/dbraw/zinc/13/21/42/1291132142.db2.gz LLCQSNPLAZMDOH-UHFFFAOYSA-N 1 1 341.521 3.241 50 0 EGAAMO CCCCn1c(C[N@@H+](C)C2CCCCC2)cnc1S(=O)(=O)CC ZINC000012316816 1291132144 /nfs/dbraw/zinc/13/21/44/1291132144.db2.gz LLCQSNPLAZMDOH-UHFFFAOYSA-N 1 1 341.521 3.241 50 0 EGAAMO O=C1N(CC2CCC2)CCC[C@@]12CC[N@H+](CCCC(F)(F)F)C2 ZINC000015066071 1291146030 /nfs/dbraw/zinc/14/60/30/1291146030.db2.gz SPRJOZCMDWWKHD-INIZCTEOSA-N 1 1 332.410 3.444 50 0 EGAAMO O=C1N(CC2CCC2)CCC[C@]12CC[N@H+](CCCC(F)(F)F)C2 ZINC000015066072 1291146151 /nfs/dbraw/zinc/14/61/51/1291146151.db2.gz SPRJOZCMDWWKHD-MRXNPFEDSA-N 1 1 332.410 3.444 50 0 EGAAMO C[N@@H+](Cc1ccccc1)C1(CNCc2cc[nH]n2)Cc2ccccc2C1 ZINC000019225288 1291192514 /nfs/dbraw/zinc/19/25/14/1291192514.db2.gz FSQADWNGQQRVGX-UHFFFAOYSA-N 1 1 346.478 3.169 50 0 EGAAMO CN(Cc1ccccc1)C1(C[NH2+]Cc2cc[nH]n2)Cc2ccccc2C1 ZINC000019225288 1291192515 /nfs/dbraw/zinc/19/25/15/1291192515.db2.gz FSQADWNGQQRVGX-UHFFFAOYSA-N 1 1 346.478 3.169 50 0 EGAAMO CC(C)CC[N@H+]1CCN(Cc2nc3ccccc3s2)C[C@@H]1CCO ZINC000022852911 1291226642 /nfs/dbraw/zinc/22/66/42/1291226642.db2.gz AUSXQTVJSKTVIH-INIZCTEOSA-N 1 1 347.528 3.211 50 0 EGAAMO CCCc1ncc(CN2CC[C@]3(C2)CCC[N@@H+](CC2CC2)C3)cn1 ZINC000055211476 1291776519 /nfs/dbraw/zinc/77/65/19/1291776519.db2.gz BVFJDRKUFGTMRM-HXUWFJFHSA-N 1 1 328.504 3.127 50 0 EGAAMO CCc1[nH+]ccn1CCC(=O)N[C@@H]1CCC[C@H]1OCc1ccccc1 ZINC000823557431 1320186712 /nfs/dbraw/zinc/18/67/12/1320186712.db2.gz QIANDLFJIFEWLL-QZTJIDSGSA-N 1 1 341.455 3.090 50 0 EGAAMO Cc1c2cc(F)ccc2[nH]c1C[N@@H+]1CCCN(C(=O)C2CCC2)CC1 ZINC000826604206 1320390111 /nfs/dbraw/zinc/39/01/11/1320390111.db2.gz NKFXMVNNDQKGFM-UHFFFAOYSA-N 1 1 343.446 3.450 50 0 EGAAMO Cc1c2cc(F)ccc2[nH]c1C[N@H+]1CCCN(C(=O)C2CCC2)CC1 ZINC000826604206 1320390116 /nfs/dbraw/zinc/39/01/16/1320390116.db2.gz NKFXMVNNDQKGFM-UHFFFAOYSA-N 1 1 343.446 3.450 50 0 EGAAMO CN(CC[N@@H+](C)C1CCCC1)C(=O)c1ccccc1-c1nccn1C ZINC000952971437 1334627622 /nfs/dbraw/zinc/62/76/22/1334627622.db2.gz JUNSZJKLMUPEJJ-UHFFFAOYSA-N 1 1 340.471 3.034 50 0 EGAAMO Cc1cccc(C(=O)Nc2ccccc2NC(=O)C[NH+](C)C)c1Cl ZINC000952972149 1334627985 /nfs/dbraw/zinc/62/79/85/1334627985.db2.gz FKYPLAIVNIGBCC-UHFFFAOYSA-N 1 1 345.830 3.401 50 0 EGAAMO CO[C@@H]1CCC[C@]12CCC[N@H+](C1CCN(C(=O)C3CCC3)CC1)C2 ZINC001704345239 1416450394 /nfs/dbraw/zinc/45/03/94/1416450394.db2.gz UJBFNGKKZNOVPI-UYAOXDASSA-N 1 1 334.504 3.059 50 0 EGAAMO Cc1cc(NCCC[N@H+]2CCC[C@H](CO)C2)c2cc(F)cc(F)c2n1 ZINC001704349124 1416452301 /nfs/dbraw/zinc/45/23/01/1416452301.db2.gz KABCZRKTPGAZRD-AWEZNQCLSA-N 1 1 349.425 3.328 50 0 EGAAMO Cc1ccc2cc(C[N@H+]3C[C@H]4C[C@@]4(C)C3)c(N3CCOCC3)nc2c1 ZINC001772804769 1441417441 /nfs/dbraw/zinc/41/74/41/1441417441.db2.gz UDSFFZBCHMOEDR-NQIIRXRSSA-N 1 1 337.467 3.222 50 0 EGAAMO Cc1cc(C[N@H+]2CCC[C@H](CNC(=O)C3CCCCCC3)C2)[nH]n1 ZINC000067490050 215153124 /nfs/dbraw/zinc/15/31/24/215153124.db2.gz HVFDPLQNTHVPKZ-MRXNPFEDSA-N 1 1 332.492 3.017 50 0 EGAAMO CN(Cc1cn(C)nc1-c1cccc(Cl)c1)C[C@@H]1CCC[N@H+]1C ZINC000019300816 202004812 /nfs/dbraw/zinc/00/48/12/202004812.db2.gz PSPSFHOYFSYHLR-KRWDZBQOSA-N 1 1 332.879 3.267 50 0 EGAAMO CCOC(=O)[C@H]1CCC[N@H+](Cc2cc(Br)cs2)C1 ZINC000019536254 202010885 /nfs/dbraw/zinc/01/08/85/202010885.db2.gz CCTZHRBPQZOOLY-JTQLQIEISA-N 1 1 332.263 3.286 50 0 EGAAMO CCOC(=O)[C@H]1CCC[N@@H+](Cc2cc(Br)cs2)C1 ZINC000019536254 202010889 /nfs/dbraw/zinc/01/08/89/202010889.db2.gz CCTZHRBPQZOOLY-JTQLQIEISA-N 1 1 332.263 3.286 50 0 EGAAMO c1cc(OC2CCCC2)ccc1C[N@H+]1CCC[C@H](N2CCOCC2)C1 ZINC000019838861 202022012 /nfs/dbraw/zinc/02/20/12/202022012.db2.gz ZTWVNFUJGGIVHQ-IBGZPJMESA-N 1 1 344.499 3.305 50 0 EGAAMO C[NH+]1CCN(C(=O)c2cc3cc(Oc4ccccc4)ccc3[nH]2)CC1 ZINC000019927743 202026093 /nfs/dbraw/zinc/02/60/93/202026093.db2.gz KKBTWHURMUHXPC-UHFFFAOYSA-N 1 1 335.407 3.348 50 0 EGAAMO COc1ccccc1[C@]1(CCN2CC[NH+](C)CC2)CCOC(C)(C)C1 ZINC000019939731 202027530 /nfs/dbraw/zinc/02/75/30/202027530.db2.gz QNMAVQSYYBCKDZ-OAQYLSRUSA-N 1 1 346.515 3.160 50 0 EGAAMO Cc1cc(CN2CC[N@H+](C3CCCCC3)[C@@H](CCO)C2)cc(C)c1O ZINC000020363528 202038829 /nfs/dbraw/zinc/03/88/29/202038829.db2.gz UGUMZYSJRBMBHP-FQEVSTJZSA-N 1 1 346.515 3.210 50 0 EGAAMO C/C(=C\c1ccco1)CN1CC[N@H+](Cc2ccsc2)[C@@H](CCO)C1 ZINC000020472877 202044579 /nfs/dbraw/zinc/04/45/79/202044579.db2.gz BWSPOAUWDLQYRY-FYXHJSOBSA-N 1 1 346.496 3.313 50 0 EGAAMO C/C(=C\c1ccco1)CN1CC[N@@H+](Cc2ccsc2)[C@@H](CCO)C1 ZINC000020472877 202044581 /nfs/dbraw/zinc/04/45/81/202044581.db2.gz BWSPOAUWDLQYRY-FYXHJSOBSA-N 1 1 346.496 3.313 50 0 EGAAMO CC(C)CC[N@H+]1CCN(Cc2cc3ccccc3[nH]2)C[C@@H]1CCO ZINC000020783234 202055408 /nfs/dbraw/zinc/05/54/08/202055408.db2.gz LOSCDTRQVBWMKQ-IBGZPJMESA-N 1 1 329.488 3.083 50 0 EGAAMO OCC[C@@H]1CN(Cc2ccc(Cl)cc2)CC[N@H+]1Cc1ccccc1 ZINC000020912722 202057964 /nfs/dbraw/zinc/05/79/64/202057964.db2.gz JBMAJQCCIAXNJV-HXUWFJFHSA-N 1 1 344.886 3.409 50 0 EGAAMO CCn1cc(CN(C)[C@@H]2CCC[N@@H+](CCc3ccccc3)C2)cn1 ZINC000022926251 202095398 /nfs/dbraw/zinc/09/53/98/202095398.db2.gz SBFCZWFGVUYBGD-HXUWFJFHSA-N 1 1 326.488 3.042 50 0 EGAAMO CSc1ncccc1C(=O)N1CCC[N@@H+](Cc2cccs2)CC1 ZINC000028035580 202164214 /nfs/dbraw/zinc/16/42/14/202164214.db2.gz OQTPNPGTGOBXDE-UHFFFAOYSA-N 1 1 347.509 3.213 50 0 EGAAMO CCC[N@H+]1CC2(C[C@@H]1C(=O)[O-])CC[NH+](Cc1ccc(C)cc1)CC2 ZINC000072433893 216228489 /nfs/dbraw/zinc/22/84/89/216228489.db2.gz HYOMYLFTMZTZFZ-GOSISDBHSA-N 1 1 330.472 3.146 50 0 EGAAMO C[C@H]1CCCC[N@H+]1C1CN(Cc2ccc(CCC(C)(C)O)cc2)C1 ZINC000072433084 216226704 /nfs/dbraw/zinc/22/67/04/216226704.db2.gz HSUIMLYYFZOJEZ-KRWDZBQOSA-N 1 1 330.516 3.449 50 0 EGAAMO C[C@H](c1nnc(-c2cccs2)o1)[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000058209487 201141621 /nfs/dbraw/zinc/14/16/21/201141621.db2.gz AFFFBZQDBKDANB-LLVKDONJSA-N 1 1 329.429 3.462 50 0 EGAAMO C[N@H+]1CCCC[C@@H]1CC(=O)NCCc1cccc(C(F)(F)F)c1 ZINC000216540004 241200607 /nfs/dbraw/zinc/20/06/07/241200607.db2.gz ZBOSEDDSKDIBFO-OAHLLOKOSA-N 1 1 328.378 3.239 50 0 EGAAMO CCn1ccc(C(=O)NC[C@H](c2ccc(Cl)cc2)[NH+]2CCCC2)n1 ZINC000215397581 241123217 /nfs/dbraw/zinc/12/32/17/241123217.db2.gz RTQPMINRLCXMLE-QGZVFWFLSA-N 1 1 346.862 3.123 50 0 EGAAMO CC[NH+](CC)c1ccc(NC2=NS(=O)(=O)c3ccccc32)c(C)c1 ZINC000002992963 201554257 /nfs/dbraw/zinc/55/42/57/201554257.db2.gz LCFVCVAGNYTAIU-UHFFFAOYSA-N 1 1 343.452 3.402 50 0 EGAAMO C/C(=C\c1ccccc1)[C@@H]1Nc2sc3c(c2C(=O)N1)CC[N@@H+](C)C3 ZINC000005274694 201645215 /nfs/dbraw/zinc/64/52/15/201645215.db2.gz QHXMTDKNPIEGGR-JICACKBISA-N 1 1 339.464 3.321 50 0 EGAAMO C/C(=C\c1ccccc1)[C@@H]1Nc2sc3c(c2C(=O)N1)CC[N@H+](C)C3 ZINC000005274694 201645218 /nfs/dbraw/zinc/64/52/18/201645218.db2.gz QHXMTDKNPIEGGR-JICACKBISA-N 1 1 339.464 3.321 50 0 EGAAMO C[C@H]1CCCC[N@H+]1CCN(C)Cc1nnc(-c2cccc(F)c2)o1 ZINC000244716043 243067652 /nfs/dbraw/zinc/06/76/52/243067652.db2.gz LHHORPWJWWPIMS-AWEZNQCLSA-N 1 1 332.423 3.182 50 0 EGAAMO CC[C@@H]1CCCC[N@H+]1CC(=O)N(C)Cc1cccc2cnccc21 ZINC000244601934 243045296 /nfs/dbraw/zinc/04/52/96/243045296.db2.gz DUQVGVHSCMSWRS-GOSISDBHSA-N 1 1 325.456 3.458 50 0 EGAAMO O[C@]1(c2ccccc2)CC[N@@H+](Cc2cncn2C2CCCCC2)C1 ZINC000244652088 243050753 /nfs/dbraw/zinc/05/07/53/243050753.db2.gz GZQXLJRIIVXLRV-HXUWFJFHSA-N 1 1 325.456 3.482 50 0 EGAAMO CCc1[nH+]ccn1Cc1nc(-c2ccc(Br)cc2)no1 ZINC000065224665 202829769 /nfs/dbraw/zinc/82/97/69/202829769.db2.gz YQWFVHZJDKAGQL-UHFFFAOYSA-N 1 1 333.189 3.306 50 0 EGAAMO Cc1oc(-c2cccc(Cl)c2)nc1C[N@H+]1[C@@H]2CC[C@H]1CNC(=O)C2 ZINC000067921685 202947352 /nfs/dbraw/zinc/94/73/52/202947352.db2.gz MIBIZXKSBMBBGC-CABCVRRESA-N 1 1 345.830 3.156 50 0 EGAAMO Cc1oc(-c2cccc(Cl)c2)nc1C[N@@H+]1[C@@H]2CC[C@H]1CNC(=O)C2 ZINC000067921685 202947354 /nfs/dbraw/zinc/94/73/54/202947354.db2.gz MIBIZXKSBMBBGC-CABCVRRESA-N 1 1 345.830 3.156 50 0 EGAAMO COc1ccc(O)cc1CN1CCC[N@@H+](CC2CC2)[C@@H](C(C)C)C1 ZINC000071479557 203098803 /nfs/dbraw/zinc/09/88/03/203098803.db2.gz VEMDILAJLNVBMO-LJQANCHMSA-N 1 1 332.488 3.343 50 0 EGAAMO COc1ccc(-c2nc(C[N@@H+]3CCC[C@H](O)C3)c(C)o2)c(C)c1C ZINC000071749247 203106912 /nfs/dbraw/zinc/10/69/12/203106912.db2.gz YIUYOLIRFKKQMY-HNNXBMFYSA-N 1 1 330.428 3.232 50 0 EGAAMO COc1ccc(-c2nc(C[N@H+]3CCC[C@H](O)C3)c(C)o2)c(C)c1C ZINC000071749247 203106916 /nfs/dbraw/zinc/10/69/16/203106916.db2.gz YIUYOLIRFKKQMY-HNNXBMFYSA-N 1 1 330.428 3.232 50 0 EGAAMO C[C@H]1CCC[N@@H+](CCCNC(=O)Cc2ccc(Cl)cc2F)C1 ZINC000071754915 203108622 /nfs/dbraw/zinc/10/86/22/203108622.db2.gz VNMQRZLHLWUWCF-ZDUSSCGKSA-N 1 1 326.843 3.260 50 0 EGAAMO CN(CCCc1[nH+]ccn1C)c1cc(-c2ccccc2)nc2ccnn21 ZINC000072130731 203166285 /nfs/dbraw/zinc/16/62/85/203166285.db2.gz FBWPSVNSDJAWRE-UHFFFAOYSA-N 1 1 346.438 3.199 50 0 EGAAMO c1cncc(C[N@H+]2CCCN(Cc3nc4c(s3)CCCC4)CC2)c1 ZINC000072142044 203168553 /nfs/dbraw/zinc/16/85/53/203168553.db2.gz LGKWMHOTXZYEEX-UHFFFAOYSA-N 1 1 342.512 3.125 50 0 EGAAMO c1cncc(C[N@@H+]2CCCN(Cc3nc4c(s3)CCCC4)CC2)c1 ZINC000072142044 203168557 /nfs/dbraw/zinc/16/85/57/203168557.db2.gz LGKWMHOTXZYEEX-UHFFFAOYSA-N 1 1 342.512 3.125 50 0 EGAAMO CN(C(=O)c1ccccc1O)[C@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000072145571 203170169 /nfs/dbraw/zinc/17/01/69/203170169.db2.gz NUGZMTQDUPIQIL-SFHVURJKSA-N 1 1 338.451 3.171 50 0 EGAAMO CCN(CC)C(=O)C[N@H+]1CCC[C@H](CCc2ccc(F)c(F)c2)C1 ZINC000072147988 203171418 /nfs/dbraw/zinc/17/14/18/203171418.db2.gz PGNKMTHETVEYQR-MRXNPFEDSA-N 1 1 338.442 3.478 50 0 EGAAMO CN1c2ccccc2[C@@]2(CCC[N@@H+](CCCc3cccnc3)C2)C1=O ZINC000072170036 203181182 /nfs/dbraw/zinc/18/11/82/203181182.db2.gz NTVGQCWWRYCPCL-NRFANRHFSA-N 1 1 335.451 3.024 50 0 EGAAMO CC(C)=CCC[N@H+]1CCC[C@@H](c2cc(N3CCOCC3)nc(C)n2)C1 ZINC000072440794 203226095 /nfs/dbraw/zinc/22/60/95/203226095.db2.gz SIRYFJGOHCQXJH-GOSISDBHSA-N 1 1 344.503 3.157 50 0 EGAAMO Cc1[nH+]ccn1CCCC(=O)N1CCC(OCc2ccccc2)CC1 ZINC000077287052 203377395 /nfs/dbraw/zinc/37/73/95/203377395.db2.gz OLFTXMTVXBSCPJ-UHFFFAOYSA-N 1 1 341.455 3.180 50 0 EGAAMO CCc1nn(C)c(Cl)c1C[N@H+]1CCCC[C@@H]1CCn1cccn1 ZINC000077343619 203381018 /nfs/dbraw/zinc/38/10/18/203381018.db2.gz OLAYYTROJIYVKP-CQSZACIVSA-N 1 1 335.883 3.277 50 0 EGAAMO CCCCN1C[C@@]2(CCC[N@@H+](Cc3cccc(C)n3)C2)CCC1=O ZINC000077356293 203382748 /nfs/dbraw/zinc/38/27/48/203382748.db2.gz WEKLSALDJQLVDF-FQEVSTJZSA-N 1 1 329.488 3.395 50 0 EGAAMO Cc1c[nH+]ccc1N1CCCN(Cc2cnn(-c3ccccc3)c2)CC1 ZINC000077535100 203393870 /nfs/dbraw/zinc/39/38/70/203393870.db2.gz XMEYCNXFVBOCGC-UHFFFAOYSA-N 1 1 347.466 3.288 50 0 EGAAMO c1csc(N2CCC[C@@H](c3[nH+]ccn3Cc3ccncc3)C2)n1 ZINC000091973953 203661608 /nfs/dbraw/zinc/66/16/08/203661608.db2.gz FLIFNTJJFOBHCZ-OAHLLOKOSA-N 1 1 325.441 3.167 50 0 EGAAMO Cn1c(C(=O)NC[C@H]2CCC[N@H+]3CCCC[C@H]23)cc2ccccc21 ZINC000096343515 218744167 /nfs/dbraw/zinc/74/41/67/218744167.db2.gz LGUQKRMIUZKWKL-SJLPKXTDSA-N 1 1 325.456 3.173 50 0 EGAAMO O=C(Nc1ccc(F)nc1)N[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000299771992 258084429 /nfs/dbraw/zinc/08/44/29/258084429.db2.gz ZCBJNBBCUSCHFX-CYBMUJFWSA-N 1 1 334.420 3.068 50 0 EGAAMO COc1ccc2c(c1)nc(C)cc2C(=O)N(C)C[C@H]1CCCC[N@H+]1C ZINC000299797030 258101174 /nfs/dbraw/zinc/10/11/74/258101174.db2.gz TWEFWWZRDUUEOM-OAHLLOKOSA-N 1 1 341.455 3.108 50 0 EGAAMO C[NH+](C)[C@@H](C(=O)NCc1ccc2c(c1)CCCO2)c1ccc(F)cc1 ZINC000299796510 258101238 /nfs/dbraw/zinc/10/12/38/258101238.db2.gz OYUPEOYOPHSTKE-LJQANCHMSA-N 1 1 342.414 3.070 50 0 EGAAMO Cc1c(C)n(Cc2cccnc2)c2nc[nH+]c(NCc3ccccn3)c12 ZINC000009420087 258054114 /nfs/dbraw/zinc/05/41/14/258054114.db2.gz UXGWSJAIQSWWOM-UHFFFAOYSA-N 1 1 344.422 3.499 50 0 EGAAMO C[N@H+]1CCC[C@H]1CCNC(=O)Nc1ccc(OCc2ccco2)cc1 ZINC000299759445 258076834 /nfs/dbraw/zinc/07/68/34/258076834.db2.gz RWSPFRPVTGFJSH-INIZCTEOSA-N 1 1 343.427 3.464 50 0 EGAAMO C[N@H+]1CCCC[C@@H]1C(=O)NCc1cc(C(F)(F)F)ccc1Cl ZINC000097492499 454438792 /nfs/dbraw/zinc/43/87/92/454438792.db2.gz JGGJARRKZJGUFN-CYBMUJFWSA-N 1 1 334.769 3.459 50 0 EGAAMO O=C(c1ccc(F)cc1)N1CC[NH+](CCCc2ccccc2)CC1 ZINC000000285169 452553902 /nfs/dbraw/zinc/55/39/02/452553902.db2.gz SXLJDHZUHDDLCC-UHFFFAOYSA-N 1 1 326.415 3.216 50 0 EGAAMO CC[NH+]1CCN(c2nc(-c3ccccc3O)nc3ccccc32)CC1 ZINC000000309978 452560977 /nfs/dbraw/zinc/56/09/77/452560977.db2.gz UOSDXNDDELWQEK-UHFFFAOYSA-N 1 1 334.423 3.144 50 0 EGAAMO C[N@@H+](C[C@H](O)COCCOc1ccc(Cl)cc1)C1CCCCC1 ZINC000004279156 452797549 /nfs/dbraw/zinc/79/75/49/452797549.db2.gz CDPQQBYEMXOCRC-KRWDZBQOSA-N 1 1 341.879 3.361 50 0 EGAAMO CCc1ccccc1NC(=O)CSc1nnc([C@@H]([NH3+])[C@H](C)CC)o1 ZINC000005070293 452836213 /nfs/dbraw/zinc/83/62/13/452836213.db2.gz BDANBUOWEMNOHH-ABAIWWIYSA-N 1 1 348.472 3.409 50 0 EGAAMO CC[N@H+]1CCC[C@@H]1CNc1ncnc2c3cc(OC)ccc3[nH]c21 ZINC000005184989 452844180 /nfs/dbraw/zinc/84/41/80/452844180.db2.gz FGELTPHDICPODX-GFCCVEGCSA-N 1 1 325.416 3.016 50 0 EGAAMO Cc1c(C)n(Cc2ccncc2)c2nc[nH+]c(NCc3cccnc3)c12 ZINC000009420102 453253941 /nfs/dbraw/zinc/25/39/41/453253941.db2.gz YJCOMPMEDBCDLP-UHFFFAOYSA-N 1 1 344.422 3.499 50 0 EGAAMO Cc1cccc(O[C@@H](C)C(=O)NC[C@H](c2ccco2)[NH+](C)C)c1C ZINC000009486353 453255028 /nfs/dbraw/zinc/25/50/28/453255028.db2.gz YPDXPOBFBINYLX-JKSUJKDBSA-N 1 1 330.428 3.083 50 0 EGAAMO CCOc1ccc(C(=O)NC[C@H](c2ccco2)[NH+](C)C)cc1OCC ZINC000010328328 453285300 /nfs/dbraw/zinc/28/53/00/453285300.db2.gz FYCALDZMLREGLA-OAHLLOKOSA-N 1 1 346.427 3.110 50 0 EGAAMO COc1c(C)cc(C(=O)[C@H]2CCC[N@H+](C3CCOCC3)C2)cc1C ZINC000011662816 453327992 /nfs/dbraw/zinc/32/79/92/453327992.db2.gz GGIGBGWCBRNNIY-INIZCTEOSA-N 1 1 331.456 3.386 50 0 EGAAMO O=C1CC[N@H+](C[C@H]2CC=CCC2)CCN1CCOc1ccc(F)cc1 ZINC000011814120 453334727 /nfs/dbraw/zinc/33/47/27/453334727.db2.gz VPQUIABLHZBHMG-KRWDZBQOSA-N 1 1 346.446 3.095 50 0 EGAAMO Cc1ncc(C[NH2+]Cc2cccnc2N(C)Cc2ccccc2)n1C ZINC000011819040 453335225 /nfs/dbraw/zinc/33/52/25/453335225.db2.gz FXEPIMPIMLFFCW-UHFFFAOYSA-N 1 1 335.455 3.050 50 0 EGAAMO C[N@@H+](Cc1ccccc1)[C@@H]1CCCN(C(=O)Cc2ccsc2)C1 ZINC000011816858 453336354 /nfs/dbraw/zinc/33/63/54/453336354.db2.gz IOTBBVGFPQSQCF-GOSISDBHSA-N 1 1 328.481 3.414 50 0 EGAAMO CC(C)Cc1ccc(C[N@H+]2CCC[C@@H](NC(=O)c3cnc[nH]3)C2)cc1 ZINC000012302907 453353363 /nfs/dbraw/zinc/35/33/63/453353363.db2.gz NRIJMCKHSDBMHD-GOSISDBHSA-N 1 1 340.471 3.003 50 0 EGAAMO CCOC(=O)[C@]1(Cc2ccccc2C)CCC[N@H+](C2CCOCC2)C1 ZINC000012456420 453364432 /nfs/dbraw/zinc/36/44/32/453364432.db2.gz QRQNSRJIUXGAHR-NRFANRHFSA-N 1 1 345.483 3.362 50 0 EGAAMO COc1cccc(C(=O)[C@@H]2CCC[N@@H+](Cc3ccc(O)cc3)C2)c1 ZINC000012572768 453376102 /nfs/dbraw/zinc/37/61/02/453376102.db2.gz ZAQIQJCYFCDYEU-QGZVFWFLSA-N 1 1 325.408 3.496 50 0 EGAAMO CSc1ccc(C(=O)[C@H]2CCC[N@H+](Cc3cnn(C)c3)C2)cc1 ZINC000012717629 453393772 /nfs/dbraw/zinc/39/37/72/453393772.db2.gz KQPLDOCNPIRWLQ-INIZCTEOSA-N 1 1 329.469 3.237 50 0 EGAAMO CSc1ccc(C(=O)[C@H]2CCC[N@@H+](Cc3cnn(C)c3)C2)cc1 ZINC000012717629 453393781 /nfs/dbraw/zinc/39/37/81/453393781.db2.gz KQPLDOCNPIRWLQ-INIZCTEOSA-N 1 1 329.469 3.237 50 0 EGAAMO CCCCOc1ccccc1C(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000013655284 453478731 /nfs/dbraw/zinc/47/87/31/453478731.db2.gz BNTNMOMJOYPZTD-INIZCTEOSA-N 1 1 330.428 3.491 50 0 EGAAMO CSc1ccc2nc(NCCC[NH+]3CCOCC3)cc(C)c2c1 ZINC000016667985 453619723 /nfs/dbraw/zinc/61/97/23/453619723.db2.gz JZVOHJSEXSBGSK-UHFFFAOYSA-N 1 1 331.485 3.399 50 0 EGAAMO CC[N@H+]1CCC[C@H]1Cn1cnc2c3cc(Cl)ccc3[nH]c2c1=O ZINC000020057311 453661744 /nfs/dbraw/zinc/66/17/44/453661744.db2.gz AGOBUXGQCMEWBE-LBPRGKRZSA-N 1 1 330.819 3.016 50 0 EGAAMO CCOC(=O)c1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@H]1N2CC(F)(F)F ZINC000022034410 453685581 /nfs/dbraw/zinc/68/55/81/453685581.db2.gz WEHWZLFXMFRHBE-UKRRQHHQSA-N 1 1 342.361 3.033 50 0 EGAAMO CCOc1cc2c(cc1NC(=O)C[NH+]1CCC(C)CC1)O[C@H](C)C2 ZINC000028928012 453825573 /nfs/dbraw/zinc/82/55/73/453825573.db2.gz REDWIDGBWPEVNX-CQSZACIVSA-N 1 1 332.444 3.079 50 0 EGAAMO Cc1[nH+]ccn1CCCC(=O)N1CCN(c2ccccc2C)C[C@@H]1C ZINC000082134440 453926195 /nfs/dbraw/zinc/92/61/95/453926195.db2.gz ZQLOEJKTVXBVMP-KRWDZBQOSA-N 1 1 340.471 3.017 50 0 EGAAMO Cc1[nH+]ccn1CCCC(=O)N1CCN(c2ccccc2C)C[C@H]1C ZINC000082134438 453926232 /nfs/dbraw/zinc/92/62/32/453926232.db2.gz ZQLOEJKTVXBVMP-QGZVFWFLSA-N 1 1 340.471 3.017 50 0 EGAAMO O=C(NC[C@@H]1CC[N@H+](Cc2cccc(O)c2)C1)c1cc2ccccc2[nH]1 ZINC000067459198 453933090 /nfs/dbraw/zinc/93/30/90/453933090.db2.gz GUJPTGSVANNTPG-INIZCTEOSA-N 1 1 349.434 3.125 50 0 EGAAMO COc1ccc(C[N@H+]2CC[C@]3(C2)CCCN(C(=O)C(C)C)C3)c(C)c1 ZINC000067605486 453948155 /nfs/dbraw/zinc/94/81/55/453948155.db2.gz KOMYAFTWEYLOJD-NRFANRHFSA-N 1 1 344.499 3.474 50 0 EGAAMO CCn1cc(C2=CC[N@@H+](CCC(=O)N(C)c3ccccc3)CC2)cn1 ZINC000067675820 453955466 /nfs/dbraw/zinc/95/54/66/453955466.db2.gz NGDYHVCQKJZZQB-UHFFFAOYSA-N 1 1 338.455 3.045 50 0 EGAAMO CC[NH+]1CCN(C(=O)c2c(C)onc2-c2ccccc2Cl)CC1 ZINC000055009879 453955953 /nfs/dbraw/zinc/95/59/53/453955953.db2.gz PIKLLYHGKQWLSU-UHFFFAOYSA-N 1 1 333.819 3.081 50 0 EGAAMO CN(C)c1cc[nH+]c(NCc2cccnc2N(C)Cc2ccccc2)n1 ZINC000067714426 453960223 /nfs/dbraw/zinc/96/02/23/453960223.db2.gz BAVVZFWAMMEBAI-UHFFFAOYSA-N 1 1 348.454 3.186 50 0 EGAAMO Cc1cccc(C(=O)NC[C@H]2CC[N@@H+](Cc3ccco3)C2)c1Cl ZINC000067758855 453963585 /nfs/dbraw/zinc/96/35/85/453963585.db2.gz JDDOCYHSHYKUFD-CQSZACIVSA-N 1 1 332.831 3.493 50 0 EGAAMO CC(=O)Oc1c(C)cc(C[NH2+]Cc2snnc2C(C)C)cc1C ZINC000055198242 453968735 /nfs/dbraw/zinc/96/87/35/453968735.db2.gz RGWFNYAJIZGFND-UHFFFAOYSA-N 1 1 333.457 3.493 50 0 EGAAMO CC(=O)Oc1c(C)cc(C[NH2+][C@H](CC(C)C)c2ncnn2C)cc1C ZINC000055211153 453970064 /nfs/dbraw/zinc/97/00/64/453970064.db2.gz WERATUPNIAKAGR-QGZVFWFLSA-N 1 1 344.459 3.234 50 0 EGAAMO COc1cc(C[N@H+](Cc2ccccc2)C[C@H](C)CO)cc2c1OCO2 ZINC000055227078 453970812 /nfs/dbraw/zinc/97/08/12/453970812.db2.gz SGQNUQAQBDPXSJ-HNNXBMFYSA-N 1 1 343.423 3.055 50 0 EGAAMO Cc1ccsc1[C@@H]1CC[N@@H+](Cc2cc(CC(C)C)n[nH]2)C[C@H]1O ZINC000067847152 453972078 /nfs/dbraw/zinc/97/20/78/453972078.db2.gz DGNCPGQORBXLRI-IAGOWNOFSA-N 1 1 333.501 3.329 50 0 EGAAMO Cc1ccsc1[C@@H]1CC[N@H+](Cc2cc(CC(C)C)n[nH]2)C[C@H]1O ZINC000067847152 453972083 /nfs/dbraw/zinc/97/20/83/453972083.db2.gz DGNCPGQORBXLRI-IAGOWNOFSA-N 1 1 333.501 3.329 50 0 EGAAMO C[C@H](c1cc2ccccc2[nH]1)[N@@H+](C)CCC(=O)NCc1ccco1 ZINC000067846940 453972424 /nfs/dbraw/zinc/97/24/24/453972424.db2.gz ANCORFVMBQWAIT-CQSZACIVSA-N 1 1 325.412 3.460 50 0 EGAAMO CC(=O)Nc1cccc(C(=O)NCc2ccccc2-n2cc[nH+]c2C)c1 ZINC000067852470 453972779 /nfs/dbraw/zinc/97/27/79/453972779.db2.gz ZNMRLQSTVHLQPL-UHFFFAOYSA-N 1 1 348.406 3.069 50 0 EGAAMO C[NH+]1CCN(Cc2noc(-c3ccccc3-c3ccccc3)n2)CC1 ZINC000067869311 453974789 /nfs/dbraw/zinc/97/47/89/453974789.db2.gz VBUGXQUZXGDNNO-UHFFFAOYSA-N 1 1 334.423 3.151 50 0 EGAAMO c1nn(Cc2ccccc2)cc1-c1cccc(C[NH+]2CCOCC2)c1 ZINC000067871888 453974819 /nfs/dbraw/zinc/97/48/19/453974819.db2.gz UQYFNYSCEOQVEG-UHFFFAOYSA-N 1 1 333.435 3.431 50 0 EGAAMO C[N@@H+](CCC(=O)Nc1cccnc1)Cc1cc2cc(F)ccc2[nH]1 ZINC000067895336 453977827 /nfs/dbraw/zinc/97/78/27/453977827.db2.gz ONDGYMGUGJTZOV-UHFFFAOYSA-N 1 1 326.375 3.163 50 0 EGAAMO COc1ccccc1C[N@@H+](CC(C)(C)CN1CCOCC1)C1CC1 ZINC000055383005 453980138 /nfs/dbraw/zinc/98/01/38/453980138.db2.gz JTGISDOOWNSBLR-UHFFFAOYSA-N 1 1 332.488 3.018 50 0 EGAAMO CC(C)=CC(=O)NCC1CC[NH+](Cc2nc3c(s2)CCCC3)CC1 ZINC000067973648 453985777 /nfs/dbraw/zinc/98/57/77/453985777.db2.gz OLJUGDMCMPDDNS-UHFFFAOYSA-N 1 1 347.528 3.316 50 0 EGAAMO CN(C[C@H]1Cc2ccccc2C[N@H+]1C)C(=O)c1cnc2ccccc2c1 ZINC000077406211 454102405 /nfs/dbraw/zinc/10/24/05/454102405.db2.gz ZQFORHOLQZYZSY-HXUWFJFHSA-N 1 1 345.446 3.364 50 0 EGAAMO Cc1ccccc1[C@H]1CC[N@@H+](CCn2cc(-c3nccs3)nn2)C1 ZINC000095363357 454197655 /nfs/dbraw/zinc/19/76/55/454197655.db2.gz MASUMOYVRVMXGM-HNNXBMFYSA-N 1 1 339.468 3.200 50 0 EGAAMO Cc1sc2nc(CNC(=O)[C@@H](C)n3cc[nH+]c3C(C)C)cn2c1C ZINC000095373626 454198632 /nfs/dbraw/zinc/19/86/32/454198632.db2.gz XKMHUSVSWVWXOB-GFCCVEGCSA-N 1 1 345.472 3.210 50 0 EGAAMO Cc1sc2nc(CNC(=O)[C@H](C)n3cc[nH+]c3C(C)C)cn2c1C ZINC000095373627 454199421 /nfs/dbraw/zinc/19/94/21/454199421.db2.gz XKMHUSVSWVWXOB-LBPRGKRZSA-N 1 1 345.472 3.210 50 0 EGAAMO Cc1nccn1CCC[N@H+]1C[C@@H]2CC[C@H](C1)N(Cc1ccccc1)C2 ZINC000095386602 454200051 /nfs/dbraw/zinc/20/00/51/454200051.db2.gz BWPHHHDJNMSEST-LEWJYISDSA-N 1 1 338.499 3.178 50 0 EGAAMO C[N@H+]1CCCC[C@@H]1CCC(=O)N1CCCN(c2ccc(F)cc2)CC1 ZINC000095381925 454200381 /nfs/dbraw/zinc/20/03/81/454200381.db2.gz MYMWSWGGPRCNSP-GOSISDBHSA-N 1 1 347.478 3.129 50 0 EGAAMO O[C@@H]1CCC[N@H+](C2CCN(c3ccc4cccc(Cl)c4n3)CC2)C1 ZINC000095390236 454201935 /nfs/dbraw/zinc/20/19/35/454201935.db2.gz RYKMVCXNUQSOME-MRXNPFEDSA-N 1 1 345.874 3.314 50 0 EGAAMO CSCc1nc(CNC(=O)[C@H](c2ccccc2C)[NH+](C)C)cs1 ZINC000095503846 454223620 /nfs/dbraw/zinc/22/36/20/454223620.db2.gz VRWIKFSFTVADKD-INIZCTEOSA-N 1 1 349.525 3.234 50 0 EGAAMO Cc1ccc([C@@H]2CN(C(=O)c3[nH]nc4ccccc43)C[C@H]2[NH+](C)C)cc1 ZINC000095508448 454223982 /nfs/dbraw/zinc/22/39/82/454223982.db2.gz FYBNVHSRPVTOTO-PKOBYXMFSA-N 1 1 348.450 3.041 50 0 EGAAMO Fc1ccc(N2CCC[C@@H](c3[nH+]ccn3Cc3ccncc3)C2)nc1 ZINC000095525372 454227541 /nfs/dbraw/zinc/22/75/41/454227541.db2.gz FAQVRJPWTUOFLS-MRXNPFEDSA-N 1 1 337.402 3.245 50 0 EGAAMO Cc1[nH+]ccn1CCCNC(=O)c1c(C)c(C)nc2ccc(C)cc21 ZINC000095527759 454229303 /nfs/dbraw/zinc/22/93/03/454229303.db2.gz DGFGXUSKJAEBBY-UHFFFAOYSA-N 1 1 336.439 3.485 50 0 EGAAMO COc1ccc2[nH]c(C(=O)N3CC([N@H+]4CCCC[C@@H]4C)C3)c(C)c2c1 ZINC000097334167 454431591 /nfs/dbraw/zinc/43/15/91/454431591.db2.gz YMDRUOMCDRVYFC-ZDUSSCGKSA-N 1 1 341.455 3.184 50 0 EGAAMO C[N@H+]1CCCC[C@@H]1C(=O)N(Cc1ccc(F)cc1)Cc1ccccn1 ZINC000097301486 454432445 /nfs/dbraw/zinc/43/24/45/454432445.db2.gz XDTIRSPKRVOQRT-LJQANCHMSA-N 1 1 341.430 3.234 50 0 EGAAMO C[N@H+]1CCCC[C@H]1C(=O)N(CCc1ccccc1)Cc1ccco1 ZINC000097475563 454437478 /nfs/dbraw/zinc/43/74/78/454437478.db2.gz RWHNPTAHUHBYRN-IBGZPJMESA-N 1 1 326.440 3.335 50 0 EGAAMO O=C(c1cnoc1-c1ccccc1)N1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000097514930 454438959 /nfs/dbraw/zinc/43/89/59/454438959.db2.gz MCPAKPQWRDQFAG-GOSISDBHSA-N 1 1 333.391 3.128 50 0 EGAAMO OC[C@]1(CC2CC2)CCC[N@@H+](Cc2ccc(C(F)(F)F)nc2)C1 ZINC000091547016 454444328 /nfs/dbraw/zinc/44/43/28/454444328.db2.gz PDMQMGFMANGKNZ-INIZCTEOSA-N 1 1 328.378 3.475 50 0 EGAAMO C[C@H](Cc1cnccn1)[N@@H+](C)Cc1ccc(OC(F)(F)F)cc1 ZINC000097785020 454445866 /nfs/dbraw/zinc/44/58/66/454445866.db2.gz MDOVRMMNLOLCAF-GFCCVEGCSA-N 1 1 325.334 3.438 50 0 EGAAMO CC(=O)N1C[C@H]2CC[C@H](C[N@@H+]2Cc2ccc(OC3CCCC3)cc2)C1 ZINC000091656805 454454045 /nfs/dbraw/zinc/45/40/45/454454045.db2.gz VUVCCZQZXFALTE-RBUKOAKNSA-N 1 1 342.483 3.451 50 0 EGAAMO CCc1[nH+]ccn1CCNC(=O)[C@H](C)Oc1ccc2ccccc2c1 ZINC000091664010 454454908 /nfs/dbraw/zinc/45/49/08/454454908.db2.gz GXEFJPOZXYYIPW-HNNXBMFYSA-N 1 1 337.423 3.182 50 0 EGAAMO COCC[C@]1(CO)CCC[N@@H+](Cc2cc(C(C)C)ccc2OC)C1 ZINC000091847781 454480569 /nfs/dbraw/zinc/48/05/69/454480569.db2.gz HCLNXECJCJKYAF-HXUWFJFHSA-N 1 1 335.488 3.430 50 0 EGAAMO O=C(CCCN1C[C@H]2CC[C@H](C[N@@H+]2CC2CC2)C1)c1ccccc1 ZINC000091893865 454486257 /nfs/dbraw/zinc/48/62/57/454486257.db2.gz RUKOLZHLKXAJDA-AZUAARDMSA-N 1 1 326.484 3.456 50 0 EGAAMO O=C(CCC[N@@H+]1C[C@@H]2CC[C@H](C1)N(CC1CC1)C2)c1ccccc1 ZINC000091893865 454486261 /nfs/dbraw/zinc/48/62/61/454486261.db2.gz RUKOLZHLKXAJDA-AZUAARDMSA-N 1 1 326.484 3.456 50 0 EGAAMO O=C(CCC[N@H+]1C[C@@H]2CC[C@H](C1)N(CC1CC1)C2)c1ccccc1 ZINC000091893865 454486264 /nfs/dbraw/zinc/48/62/64/454486264.db2.gz RUKOLZHLKXAJDA-AZUAARDMSA-N 1 1 326.484 3.456 50 0 EGAAMO COCC[C@@]1(CO)CCC[N@H+](Cc2cc(F)c(OC)c(Cl)c2)C1 ZINC000091914843 454488316 /nfs/dbraw/zinc/48/83/16/454488316.db2.gz ZZTHPJONHYJCMG-KRWDZBQOSA-N 1 1 345.842 3.099 50 0 EGAAMO COCC[C@@]1(CO)CCC[N@@H+](Cc2cc(F)c(OC)c(Cl)c2)C1 ZINC000091914843 454488321 /nfs/dbraw/zinc/48/83/21/454488321.db2.gz ZZTHPJONHYJCMG-KRWDZBQOSA-N 1 1 345.842 3.099 50 0 EGAAMO CC[N@H+]1C[C@@H](c2ccccc2)CC2(CCN(C(=O)N(C)C)CC2)C1 ZINC000091964982 454497110 /nfs/dbraw/zinc/49/71/10/454497110.db2.gz ZIOZLSBUAXGFQP-SFHVURJKSA-N 1 1 329.488 3.260 50 0 EGAAMO COc1ccccc1[C@H]1CCC[N@H+]1CCC(=O)Nc1nccs1 ZINC000065370569 454554888 /nfs/dbraw/zinc/55/48/88/454554888.db2.gz USOTUKRXGBKCJG-CQSZACIVSA-N 1 1 331.441 3.317 50 0 EGAAMO Cc1nc([C@@H](C)[NH2+]CCC(=O)Nc2ccc(N(C)C)cc2)cs1 ZINC000065527371 454584195 /nfs/dbraw/zinc/58/41/95/454584195.db2.gz KKIVOJQFPADNMQ-GFCCVEGCSA-N 1 1 332.473 3.197 50 0 EGAAMO CNC(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1OCc1ccccc1 ZINC000154794522 454930174 /nfs/dbraw/zinc/93/01/74/454930174.db2.gz UPLHTWDBZAJBDJ-LJQANCHMSA-N 1 1 338.451 3.366 50 0 EGAAMO CNC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1OCc1ccccc1 ZINC000154794522 454930178 /nfs/dbraw/zinc/93/01/78/454930178.db2.gz UPLHTWDBZAJBDJ-LJQANCHMSA-N 1 1 338.451 3.366 50 0 EGAAMO CC(C)[N@H+]1CC[C@H](CN(C)C(=O)Cc2ccc(F)cc2Cl)C1 ZINC000221359133 456042066 /nfs/dbraw/zinc/04/20/66/456042066.db2.gz LYQXYBLTBNXYSS-CYBMUJFWSA-N 1 1 326.843 3.210 50 0 EGAAMO COc1cc(F)c(CN2CC[N@@H+](C)[C@H](c3ccccc3)C2)cc1OC ZINC000225345842 456078883 /nfs/dbraw/zinc/07/88/83/456078883.db2.gz UWUKUXAOAWFCGM-SFHVURJKSA-N 1 1 344.430 3.332 50 0 EGAAMO CC(C)[N@H+]1CCCC[C@@H]1CCNC(=O)N1CCOc2ccccc2C1 ZINC000426433651 457829826 /nfs/dbraw/zinc/82/98/26/457829826.db2.gz MAORYKMRCGQXEW-GOSISDBHSA-N 1 1 345.487 3.244 50 0 EGAAMO CN(Cc1ccc(C(F)(F)F)cc1)C(=O)NCC[C@H]1CCC[N@H+]1C ZINC000426531510 457850608 /nfs/dbraw/zinc/85/06/08/457850608.db2.gz AKUVGWPOFWARJJ-OAHLLOKOSA-N 1 1 343.393 3.331 50 0 EGAAMO C[C@H](c1ccc(-c2ccc(Cn3ccnc3)cn2)cc1)[NH+]1CCOCC1 ZINC000426578750 457857475 /nfs/dbraw/zinc/85/74/75/457857475.db2.gz OSGNDLTURVDORH-QGZVFWFLSA-N 1 1 348.450 3.387 50 0 EGAAMO c1cc2c(nc[nH+]c2N2CCC3(CC2)OCCc2ccsc23)[nH]1 ZINC000540905168 459400053 /nfs/dbraw/zinc/40/00/53/459400053.db2.gz ISULRVLZRZXSMN-UHFFFAOYSA-N 1 1 326.425 3.088 50 0 EGAAMO COc1ccccc1-c1ncc(C[N@@H+](C)CCC2(O)CCCC2)cn1 ZINC000215339027 536972771 /nfs/dbraw/zinc/97/27/71/536972771.db2.gz OETKLSBYCYFQLN-UHFFFAOYSA-N 1 1 341.455 3.279 50 0 EGAAMO COc1cccc([C@@H]2CC[N@@H+]2Cc2cc3c(c(OC)c2)OCO3)c1 ZINC000215841059 537139175 /nfs/dbraw/zinc/13/91/75/537139175.db2.gz QVJBUPYNIGHJEG-INIZCTEOSA-N 1 1 327.380 3.380 50 0 EGAAMO COc1cccc([C@@H]2CC[N@H+]2Cc2cc3c(c(OC)c2)OCO3)c1 ZINC000215841059 537139176 /nfs/dbraw/zinc/13/91/76/537139176.db2.gz QVJBUPYNIGHJEG-INIZCTEOSA-N 1 1 327.380 3.380 50 0 EGAAMO COc1cccc(N2CCC([N@H+]3CCC[C@H](c4cc[nH]n4)C3)CC2)c1 ZINC000670444380 548215819 /nfs/dbraw/zinc/21/58/19/548215819.db2.gz DUMJYLCRCJSZAR-INIZCTEOSA-N 1 1 340.471 3.267 50 0 EGAAMO COc1cccc(N2CCC([N@@H+]3CCC[C@H](c4ccn[nH]4)C3)CC2)c1 ZINC000670444380 548215821 /nfs/dbraw/zinc/21/58/21/548215821.db2.gz DUMJYLCRCJSZAR-INIZCTEOSA-N 1 1 340.471 3.267 50 0 EGAAMO COc1cccc(N2CCC([N@H+]3CCC[C@H](c4ccn[nH]4)C3)CC2)c1 ZINC000670444380 548215823 /nfs/dbraw/zinc/21/58/23/548215823.db2.gz DUMJYLCRCJSZAR-INIZCTEOSA-N 1 1 340.471 3.267 50 0 EGAAMO CC(C)NC(=O)NC[C@H]1CCC[N@@H+](Cc2cccc3cccnc32)C1 ZINC000067696578 1292168830 /nfs/dbraw/zinc/16/88/30/1292168830.db2.gz ZNKSLGLLKLAKNO-MRXNPFEDSA-N 1 1 340.471 3.154 50 0 EGAAMO O=C(N[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1cccn1C1CC1 ZINC000828185458 1292439770 /nfs/dbraw/zinc/43/97/70/1292439770.db2.gz WEZAXEPTGDCRPJ-CQSZACIVSA-N 1 1 329.469 3.279 50 0 EGAAMO CCn1ncc(CN(C)[C@@H]2CCC[N@@H+](CCc3ccccc3)C2)c1C ZINC000823603435 1320191349 /nfs/dbraw/zinc/19/13/49/1320191349.db2.gz JZRACSBCTCKVRW-OAQYLSRUSA-N 1 1 340.515 3.350 50 0 EGAAMO CC(C)(CN[C@@H](Cn1cccn1)c1ccccc1)[NH+]1CCCCC1 ZINC000952962759 1334625523 /nfs/dbraw/zinc/62/55/23/1334625523.db2.gz FXJKXDJFANIUQT-IBGZPJMESA-N 1 1 326.488 3.479 50 0 EGAAMO Cc1ccc(NC2(C(=O)NC[C@@H]3CC[N@H+](C)C3)CCCCC2)cc1 ZINC000952988441 1334631248 /nfs/dbraw/zinc/63/12/48/1334631248.db2.gz QIMFLABOOMKEGF-KRWDZBQOSA-N 1 1 329.488 3.178 50 0 EGAAMO C[N@H+]1CCCCC[C@@H]1C(=O)NCCCc1nc2ccccc2s1 ZINC000952992150 1334632305 /nfs/dbraw/zinc/63/23/05/1334632305.db2.gz XTBBPCQMTSWUTA-OAHLLOKOSA-N 1 1 331.485 3.220 50 0 EGAAMO O=C(C[N@H+]1CCCC[C@H]1CCc1ccccn1)NCc1cccs1 ZINC001704348448 1416451864 /nfs/dbraw/zinc/45/18/64/1416451864.db2.gz NIBGTLTWBYWFSN-KRWDZBQOSA-N 1 1 343.496 3.247 50 0 EGAAMO CCSC[C@@H](C)[N@H+]1CCCN(C(=O)c2ccc3[nH]ccc3c2)CC1 ZINC001772812527 1441417550 /nfs/dbraw/zinc/41/75/50/1441417550.db2.gz LDWJEVVJQZKYJL-OAHLLOKOSA-N 1 1 345.512 3.457 50 0 EGAAMO Cc1nn(C)c(N(C)C)c1C[NH2+][C@H]1CCOc2c(C)cc(C)cc21 ZINC000065535230 282268638 /nfs/dbraw/zinc/26/86/38/282268638.db2.gz BXZYCSSZOHFLML-KRWDZBQOSA-N 1 1 328.460 3.025 50 0 EGAAMO CCn1ccnc1CN(C)[C@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000020514858 202046572 /nfs/dbraw/zinc/04/65/72/202046572.db2.gz JHVVAEVOXQPRND-IBGZPJMESA-N 1 1 326.488 3.042 50 0 EGAAMO C[N@H+](CCc1ccccc1)Cc1nc(Cc2cccc(F)c2)no1 ZINC000020776578 202054348 /nfs/dbraw/zinc/05/43/48/202054348.db2.gz QIWNBNMOYHDFRH-UHFFFAOYSA-N 1 1 325.387 3.474 50 0 EGAAMO C[N@@H+](CCc1ccccc1)Cc1nc(Cc2cccc(F)c2)no1 ZINC000020776578 202054350 /nfs/dbraw/zinc/05/43/50/202054350.db2.gz QIWNBNMOYHDFRH-UHFFFAOYSA-N 1 1 325.387 3.474 50 0 EGAAMO CC(C)CC[N@H+]1CCN(Cc2cccc3cnccc32)C[C@@H]1CCO ZINC000020783330 202055036 /nfs/dbraw/zinc/05/50/36/202055036.db2.gz IMTXLNYHFYGLEU-FQEVSTJZSA-N 1 1 341.499 3.150 50 0 EGAAMO C[NH+]1CCN(Cc2ccc(C(=O)c3ccc(Cl)cc3F)cc2)CC1 ZINC000022027943 202077014 /nfs/dbraw/zinc/07/70/14/202077014.db2.gz RFWXAZLVMRIQGC-UHFFFAOYSA-N 1 1 346.833 3.458 50 0 EGAAMO C[NH+]1CCN(Cc2ccccc2C(=O)c2ccc(Cl)c(F)c2)CC1 ZINC000022028207 202077635 /nfs/dbraw/zinc/07/76/35/202077635.db2.gz FSJDRWWRRDTZMY-UHFFFAOYSA-N 1 1 346.833 3.458 50 0 EGAAMO C[N@H+]1CCC[C@H](Cn2ccc(-c3cccc(-c4cnccn4)c3)n2)C1 ZINC000023399771 202103455 /nfs/dbraw/zinc/10/34/55/202103455.db2.gz MIQSZWYRSULSQM-INIZCTEOSA-N 1 1 333.439 3.349 50 0 EGAAMO Cc1cc(C(=O)N2CCC[C@H]2[C@H]2CCC[N@H+]2Cc2ccccc2)on1 ZINC000072280493 202360514 /nfs/dbraw/zinc/36/05/14/202360514.db2.gz HTUKOXMLIZSHIX-MSOLQXFVSA-N 1 1 339.439 3.252 50 0 EGAAMO Cc1[nH+]ccn1CC1(CNC(=O)c2cnoc2-c2ccccc2)CC1 ZINC000216535253 241201758 /nfs/dbraw/zinc/20/17/58/241201758.db2.gz BCYXUAZRWSJHAC-UHFFFAOYSA-N 1 1 336.395 3.057 50 0 EGAAMO CC[C@@H](O)c1cc2n(n1)CCC[N@H+](C1CCc3ccccc3CC1)C2 ZINC000219615401 241399918 /nfs/dbraw/zinc/39/99/18/241399918.db2.gz TZADMXGDADWBEK-OAQYLSRUSA-N 1 1 339.483 3.480 50 0 EGAAMO CC(C)[C@H]1c2[nH]c3ccccc3c2CC[N@H+]1CCN1CCCC1=O ZINC000244716316 243065854 /nfs/dbraw/zinc/06/58/54/243065854.db2.gz LMWCCRRARCOSTK-FQEVSTJZSA-N 1 1 325.456 3.346 50 0 EGAAMO CC(C)[C@H]1c2[nH]c3ccccc3c2CC[N@@H+]1CCN1CCCC1=O ZINC000244716316 243065861 /nfs/dbraw/zinc/06/58/61/243065861.db2.gz LMWCCRRARCOSTK-FQEVSTJZSA-N 1 1 325.456 3.346 50 0 EGAAMO O[C@@]1(c2ccccc2)CC[N@@H+](Cc2cncn2C2CCCCC2)C1 ZINC000244652087 243050336 /nfs/dbraw/zinc/05/03/36/243050336.db2.gz GZQXLJRIIVXLRV-FQEVSTJZSA-N 1 1 325.456 3.482 50 0 EGAAMO COc1c[nH]c(C[N@H+]2CCC[C@H](c3nc4ccccc4o3)C2)cc1=O ZINC000244690852 243057756 /nfs/dbraw/zinc/05/77/56/243057756.db2.gz IYBJXPRTYJURNE-ZDUSSCGKSA-N 1 1 339.395 3.317 50 0 EGAAMO Cc1cc(NC(=O)C[N@@H+]2CCC[C@@H](c3cc[nH]n3)C2)ccc1Cl ZINC000244778703 243078158 /nfs/dbraw/zinc/07/81/58/243078158.db2.gz PVAYTQSYQUERSZ-CYBMUJFWSA-N 1 1 332.835 3.190 50 0 EGAAMO Cc1cc(NC(=O)C[N@H+]2CCC[C@@H](c3cc[nH]n3)C2)ccc1Cl ZINC000244778703 243078162 /nfs/dbraw/zinc/07/81/62/243078162.db2.gz PVAYTQSYQUERSZ-CYBMUJFWSA-N 1 1 332.835 3.190 50 0 EGAAMO Cc1ccc(C(=O)NCC[C@H]2C[N@H+](C3CCCC3)CCO2)c(C)c1 ZINC000067674111 202924342 /nfs/dbraw/zinc/92/43/42/202924342.db2.gz ZSNRTWWCFUBTRS-SFHVURJKSA-N 1 1 330.472 3.067 50 0 EGAAMO Cc1c2cc(F)ccc2[nH]c1C[N@H+]1CCC[C@@H](N2CCCC2=O)C1 ZINC000071575333 203099914 /nfs/dbraw/zinc/09/99/14/203099914.db2.gz XUJSPRTYLRBNRA-OAHLLOKOSA-N 1 1 329.419 3.202 50 0 EGAAMO CNC(=O)CC[N@H+](C)Cc1nc(-c2ccc3ccccc3c2)oc1C ZINC000071753624 203108326 /nfs/dbraw/zinc/10/83/26/203108326.db2.gz QAYFYMUGCDLGRS-UHFFFAOYSA-N 1 1 337.423 3.371 50 0 EGAAMO CNC(=O)CC[N@@H+](C)Cc1nc(-c2ccc3ccccc3c2)oc1C ZINC000071753624 203108328 /nfs/dbraw/zinc/10/83/28/203108328.db2.gz QAYFYMUGCDLGRS-UHFFFAOYSA-N 1 1 337.423 3.371 50 0 EGAAMO CCn1nc(C)c(C[N@H+]2CCC[C@@]3(C2)c2ccccc2NC3=O)c1C ZINC000072125653 203164823 /nfs/dbraw/zinc/16/48/23/203164823.db2.gz ZWCVZXGTIFABJQ-HXUWFJFHSA-N 1 1 338.455 3.006 50 0 EGAAMO OC[C@]1(O)CCC[N@@H+](Cc2sc3ccccc3c2Cl)CC1 ZINC000072137101 203168669 /nfs/dbraw/zinc/16/86/69/203168669.db2.gz JUGVZOCFBIMIGH-INIZCTEOSA-N 1 1 325.861 3.264 50 0 EGAAMO CC(C)Cc1cc(C[N@@H+]2CCC[C@@H](OCc3cccnc3)C2)[nH]n1 ZINC000072144310 203169202 /nfs/dbraw/zinc/16/92/02/203169202.db2.gz XZORVDWZMUELQZ-LJQANCHMSA-N 1 1 328.460 3.184 50 0 EGAAMO CC(C)Cc1cc(C[N@H+]2CCC[C@@H](OCc3cccnc3)C2)[nH]n1 ZINC000072144310 203169205 /nfs/dbraw/zinc/16/92/05/203169205.db2.gz XZORVDWZMUELQZ-LJQANCHMSA-N 1 1 328.460 3.184 50 0 EGAAMO c1csc(C[N@H+]2CCCN(Cc3ccc4nsnc4c3)CC2)c1 ZINC000072146889 203171087 /nfs/dbraw/zinc/17/10/87/203171087.db2.gz ZRBALQHMNHKPJF-UHFFFAOYSA-N 1 1 344.509 3.461 50 0 EGAAMO O=C(CC[N@H+]1C[C@H]2[C@@H](C1)C1CCC2CC1)NCc1ccccc1F ZINC000072171728 203181546 /nfs/dbraw/zinc/18/15/46/203181546.db2.gz BFKBSWFFQQONRP-SAJCDORXSA-N 1 1 330.447 3.200 50 0 EGAAMO Fc1ccccc1C[N@H+]1CCC[C@]2(CCN(c3cnccn3)C2)C1 ZINC000072463485 203229148 /nfs/dbraw/zinc/22/91/48/203229148.db2.gz PKROZYCEDVFXDL-IBGZPJMESA-N 1 1 326.419 3.108 50 0 EGAAMO CCc1n[nH]c2c1C[N@@H+](Cc1ccc(CCC(C)(C)O)cc1)CC2 ZINC000072424424 203220888 /nfs/dbraw/zinc/22/08/88/203220888.db2.gz JCLSMVKULDZHNC-UHFFFAOYSA-N 1 1 327.472 3.234 50 0 EGAAMO CCc1[nH]nc2c1C[N@H+](Cc1ccc(CCC(C)(C)O)cc1)CC2 ZINC000072424424 203220892 /nfs/dbraw/zinc/22/08/92/203220892.db2.gz JCLSMVKULDZHNC-UHFFFAOYSA-N 1 1 327.472 3.234 50 0 EGAAMO CCc1[nH]nc2c1C[N@@H+](Cc1ccc(CCC(C)(C)O)cc1)CC2 ZINC000072424424 203220895 /nfs/dbraw/zinc/22/08/95/203220895.db2.gz JCLSMVKULDZHNC-UHFFFAOYSA-N 1 1 327.472 3.234 50 0 EGAAMO O=C(c1cocn1)N1CCC[C@@]2(CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000072430314 203223400 /nfs/dbraw/zinc/22/34/00/203223400.db2.gz PJXTUDPPFWGIKO-HXUWFJFHSA-N 1 1 339.439 3.193 50 0 EGAAMO CCc1ccc2nc(C)cc(C(=O)NCCCn3cc[nH+]c3C)c2c1 ZINC000077344291 203381009 /nfs/dbraw/zinc/38/10/09/203381009.db2.gz IBMJORNXYFCXRT-UHFFFAOYSA-N 1 1 336.439 3.431 50 0 EGAAMO COc1ccc(C[N@H+]2CCC[C@@]3(CCC(=O)N(C4CC4)C3)C2)cc1 ZINC000077388919 203384873 /nfs/dbraw/zinc/38/48/73/203384873.db2.gz KROYMSRSGPIUFK-HXUWFJFHSA-N 1 1 328.456 3.062 50 0 EGAAMO Cc1[nH+]ccn1CC[C@@H]1CCCCN1C(=O)CCc1ccc(O)cc1 ZINC000077407206 203386194 /nfs/dbraw/zinc/38/61/94/203386194.db2.gz GAYYHIYBJTYYKX-SFHVURJKSA-N 1 1 341.455 3.301 50 0 EGAAMO Cn1ccnc1CC[C@@H]1CCCC[N@H+]1Cc1ccc(-c2cc[nH]n2)o1 ZINC000077419882 203386904 /nfs/dbraw/zinc/38/69/04/203386904.db2.gz MVAKLXDBSXWMHZ-HNNXBMFYSA-N 1 1 339.443 3.391 50 0 EGAAMO COCCCN1C[C@@]2(CCC[N@@H+](Cc3ccccc3C)C2)CCC1=O ZINC000077536979 203393508 /nfs/dbraw/zinc/39/35/08/203393508.db2.gz KTJXLJHVNJZXEA-NRFANRHFSA-N 1 1 344.499 3.236 50 0 EGAAMO Cc1[nH+]ccn1CC[C@@H]1CCCCN1Cc1nc(C(F)(F)F)no1 ZINC000077541417 203394560 /nfs/dbraw/zinc/39/45/60/203394560.db2.gz TVGUTFVDZHCSRO-LBPRGKRZSA-N 1 1 343.353 3.038 50 0 EGAAMO O=C(NCc1ccccc1)C1CC[NH+](Cc2nc3ccccc3[nH]2)CC1 ZINC000044443250 204299963 /nfs/dbraw/zinc/29/99/63/204299963.db2.gz LXJXZHHRXCZTHL-UHFFFAOYSA-N 1 1 348.450 3.091 50 0 EGAAMO CCOc1cccc(OCC[N@H+]2CC[C@@](O)(c3ccccc3)C2)c1 ZINC000299779456 258088935 /nfs/dbraw/zinc/08/89/35/258088935.db2.gz OCWVPZKOYASCOW-FQEVSTJZSA-N 1 1 327.424 3.058 50 0 EGAAMO CO[C@]12CC[N@@H+](Cc3nccn3C3CC3)[C@H]1C[C@H](OCC1CC1)CC2 ZINC000299757977 258076026 /nfs/dbraw/zinc/07/60/26/258076026.db2.gz JEIDMXBCLMCFRU-WSTZPKSXSA-N 1 1 345.487 3.157 50 0 EGAAMO CCN(CC)CC[N@@H+](C)[C@@H]1CCC(=O)N(CC2CCCCC2)CC1 ZINC000299758079 258076318 /nfs/dbraw/zinc/07/63/18/258076318.db2.gz AULASYKKPILOQD-LJQANCHMSA-N 1 1 337.552 3.221 50 0 EGAAMO CC[NH+](CC)CCN(C)[C@@H]1CCC(=O)N(CC2CCCCC2)CC1 ZINC000299758079 258076320 /nfs/dbraw/zinc/07/63/20/258076320.db2.gz AULASYKKPILOQD-LJQANCHMSA-N 1 1 337.552 3.221 50 0 EGAAMO O=C(NC[C@@H](c1ccc(Cl)cc1)[NH+]1CCCCC1)c1cnc[nH]1 ZINC000299758076 258076399 /nfs/dbraw/zinc/07/63/99/258076399.db2.gz AUBZQBHDFGDJHX-INIZCTEOSA-N 1 1 332.835 3.020 50 0 EGAAMO COc1cc(C[NH+]2CCN(c3ccccc3C)CC2)cc(OC)c1 ZINC000055031461 132192868 /nfs/dbraw/zinc/19/28/68/132192868.db2.gz PUMQJOHJSDUXQC-UHFFFAOYSA-N 1 1 326.440 3.334 50 0 EGAAMO CCOc1ccccc1N1CC[NH+](Cc2ccc(O)c(OC)c2)CC1 ZINC000055543156 132195751 /nfs/dbraw/zinc/19/57/51/132195751.db2.gz DVDYQPJTYJCYTE-UHFFFAOYSA-N 1 1 342.439 3.122 50 0 EGAAMO CCOc1ccccc1N1CC[NH+](Cc2cccc(OC)c2)CC1 ZINC000055543039 132195769 /nfs/dbraw/zinc/19/57/69/132195769.db2.gz RALWSUJEAOBBHH-UHFFFAOYSA-N 1 1 326.440 3.416 50 0 EGAAMO Cc1cc(C)c2oc(=O)cc(C[NH+]3CCN(c4ccccn4)CC3)c2c1 ZINC000012409432 135641387 /nfs/dbraw/zinc/64/13/87/135641387.db2.gz YFFOJBIHDAWBPZ-UHFFFAOYSA-N 1 1 349.434 3.127 50 0 EGAAMO O=C1C[C@H]([N@@H+]2C[C@@H]3CCCC[C@@H]3C2)C(=O)N1c1ccc(Cl)cc1 ZINC000100237953 275020666 /nfs/dbraw/zinc/02/06/66/275020666.db2.gz RBRRWYQEVKKWPO-ZENOOKHLSA-N 1 1 332.831 3.094 50 0 EGAAMO CC[N@@H+]1CCc2c(sc3[nH]c(=S)n(-c4ccccc4)c(=O)c23)C1 ZINC000019832289 276236572 /nfs/dbraw/zinc/23/65/72/276236572.db2.gz UYHMWLFXHFTJFK-UHFFFAOYSA-N 1 1 343.477 3.488 50 0 EGAAMO CC[N@H+]1CCc2c(sc3[nH]c(=S)n(-c4ccccc4)c(=O)c23)C1 ZINC000019832289 276236574 /nfs/dbraw/zinc/23/65/74/276236574.db2.gz UYHMWLFXHFTJFK-UHFFFAOYSA-N 1 1 343.477 3.488 50 0 EGAAMO Cc1cc(C(F)(F)F)cc(N2CCC[C@@]3(CN(C)C(=O)O3)CC2)[nH+]1 ZINC000072168813 280376476 /nfs/dbraw/zinc/37/64/76/280376476.db2.gz RLCMNKSFJXWVFZ-HNNXBMFYSA-N 1 1 343.349 3.220 50 0 EGAAMO O=C1C[C@@H]([NH+]2CCCCC2)C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000018190001 453646748 /nfs/dbraw/zinc/64/67/48/453646748.db2.gz MSABGHPZDQHMIX-CYBMUJFWSA-N 1 1 327.211 3.111 50 0 EGAAMO COCC[N@H+](Cc1ccc(OC)cc1)Cc1[nH]cc(C)c(=O)c1C ZINC000240517170 455263210 /nfs/dbraw/zinc/26/32/10/455263210.db2.gz NWEKFMSCAREHBF-UHFFFAOYSA-N 1 1 330.428 3.061 50 0 EGAAMO COCC[N@@H+](Cc1ccc(OC)cc1)Cc1[nH]cc(C)c(=O)c1C ZINC000240517170 455263217 /nfs/dbraw/zinc/26/32/17/455263217.db2.gz NWEKFMSCAREHBF-UHFFFAOYSA-N 1 1 330.428 3.061 50 0 EGAAMO COc1ccc(C[NH+]2CCN(c3ccc(F)cc3)CC2)c(OC)c1C ZINC000000292379 452555441 /nfs/dbraw/zinc/55/54/41/452555441.db2.gz APOVAPVFFVSVHT-UHFFFAOYSA-N 1 1 344.430 3.474 50 0 EGAAMO CC[NH+]1CCN(c2ccc(NC(=O)c3cccnc3)cc2Cl)CC1 ZINC000000587321 452629967 /nfs/dbraw/zinc/62/99/67/452629967.db2.gz YXRXOJBJZCROLB-UHFFFAOYSA-N 1 1 344.846 3.129 50 0 EGAAMO Cc1cccc(C)c1NC(=O)C[NH2+]CC(=O)Nc1c(C)cccc1C ZINC000002646163 452712379 /nfs/dbraw/zinc/71/23/79/452712379.db2.gz UMQJGNLKESQUOD-UHFFFAOYSA-N 1 1 339.439 3.087 50 0 EGAAMO COc1ccccc1/C=C/C(=O)OCC[N@@H+](C)Cc1ccccc1 ZINC000002895473 452734212 /nfs/dbraw/zinc/73/42/12/452734212.db2.gz SSHBMYVLPKZBDT-OUKQBFOZSA-N 1 1 325.408 3.384 50 0 EGAAMO C[NH+]1CCN(c2ccc(NC(=O)Cc3ccccc3)cc2Cl)CC1 ZINC000004865984 452823629 /nfs/dbraw/zinc/82/36/29/452823629.db2.gz NJDSGWGEQIVRAF-UHFFFAOYSA-N 1 1 343.858 3.273 50 0 EGAAMO Cc1cccc(C)c1NC(=O)CSc1nnc([C@@H]([NH3+])CC(C)C)o1 ZINC000005119563 452837342 /nfs/dbraw/zinc/83/73/42/452837342.db2.gz VIVFSBLQIGCNKJ-ZDUSSCGKSA-N 1 1 348.472 3.463 50 0 EGAAMO C[NH+](C)[C@@H](CNC(=O)c1ccc(Br)cc1)c1ccco1 ZINC000005451068 452873260 /nfs/dbraw/zinc/87/32/60/452873260.db2.gz PNNODXHEPQGAJL-ZDUSSCGKSA-N 1 1 337.217 3.075 50 0 EGAAMO C[NH+](C)[C@H](CNC(=O)c1ccc(Br)cc1)c1ccco1 ZINC000005451069 452873807 /nfs/dbraw/zinc/87/38/07/452873807.db2.gz PNNODXHEPQGAJL-CYBMUJFWSA-N 1 1 337.217 3.075 50 0 EGAAMO Cc1ccc(N2C(=O)C[C@H]([N@H+]3CCC[C@H]4CCCC[C@H]43)C2=O)cc1 ZINC000005600319 452886838 /nfs/dbraw/zinc/88/68/38/452886838.db2.gz NZUUPLWSKJXMDC-NXHRZFHOSA-N 1 1 326.440 3.282 50 0 EGAAMO CC[C@H](C)CC(=O)NCC[N@H+]1Cc2cc(OC)ccc2O[C@H](CC)C1 ZINC000012052584 453343290 /nfs/dbraw/zinc/34/32/90/453343290.db2.gz FANRPCSHUCQHGO-DOTOQJQBSA-N 1 1 348.487 3.221 50 0 EGAAMO CC[C@H](C)CC(=O)NCC[N@@H+]1Cc2cc(OC)ccc2O[C@H](CC)C1 ZINC000012052584 453343297 /nfs/dbraw/zinc/34/32/97/453343297.db2.gz FANRPCSHUCQHGO-DOTOQJQBSA-N 1 1 348.487 3.221 50 0 EGAAMO C[C@@H](CC[N@@H+]1CCC(=O)N(Cc2ccccn2)CC1)c1ccccc1 ZINC000012079209 453345812 /nfs/dbraw/zinc/34/58/12/453345812.db2.gz GATYQQBRTAZIJD-SFHVURJKSA-N 1 1 337.467 3.310 50 0 EGAAMO CC(C)N1CCC([N@@H+]2CCC[C@@H](C(=O)NC3CCCCC3)C2)CC1 ZINC000012386881 453359681 /nfs/dbraw/zinc/35/96/81/453359681.db2.gz HHNGTEZNMJRCMS-QGZVFWFLSA-N 1 1 335.536 3.020 50 0 EGAAMO CC(C)N1CCC([N@H+]2CCC[C@@H](C(=O)NC3CCCCC3)C2)CC1 ZINC000012386881 453359683 /nfs/dbraw/zinc/35/96/83/453359683.db2.gz HHNGTEZNMJRCMS-QGZVFWFLSA-N 1 1 335.536 3.020 50 0 EGAAMO O=C(CCc1ccncc1)N[C@@H]1CCC[N@@H+](CC2CCCCC2)C1 ZINC000012440147 453361358 /nfs/dbraw/zinc/36/13/58/453361358.db2.gz ZDHUEDOAPGGJEQ-LJQANCHMSA-N 1 1 329.488 3.175 50 0 EGAAMO CCc1[nH]nc(C(=O)N[C@@H]2CCC[N@@H+](CC3CCCCC3)C2)c1C ZINC000012439854 453363138 /nfs/dbraw/zinc/36/31/38/453363138.db2.gz ACZJBRWTUKQVFS-MRXNPFEDSA-N 1 1 332.492 3.055 50 0 EGAAMO CCc1n[nH]c(C(=O)N[C@@H]2CCC[N@H+](CC3CCCCC3)C2)c1C ZINC000012439854 453363147 /nfs/dbraw/zinc/36/31/47/453363147.db2.gz ACZJBRWTUKQVFS-MRXNPFEDSA-N 1 1 332.492 3.055 50 0 EGAAMO CCc1n[nH]c(C(=O)N[C@@H]2CCC[N@@H+](CC3CCCCC3)C2)c1C ZINC000012439854 453363156 /nfs/dbraw/zinc/36/31/56/453363156.db2.gz ACZJBRWTUKQVFS-MRXNPFEDSA-N 1 1 332.492 3.055 50 0 EGAAMO CCCc1ncc(C[N@H+]2CCC[C@@]3(CCC(=O)N(C(C)C)C3)C2)cn1 ZINC000082109537 453924485 /nfs/dbraw/zinc/92/44/85/453924485.db2.gz FNRRIYPJXXUFBU-HXUWFJFHSA-N 1 1 344.503 3.042 50 0 EGAAMO COCCN1C[C@]2(CCC[N@@H+](Cc3ccc(C)cc3C)C2)CCC1=O ZINC000082108035 453924816 /nfs/dbraw/zinc/92/48/16/453924816.db2.gz CXNPUQOSTLIOSB-OAQYLSRUSA-N 1 1 344.499 3.154 50 0 EGAAMO CC(C)C[C@H]1C[N@H+](C2CCN(Cc3cccnc3)CC2)CC[C@@]1(C)O ZINC000067603658 453947879 /nfs/dbraw/zinc/94/78/79/453947879.db2.gz VHJVFVBABVDOBT-PZJWPPBQSA-N 1 1 345.531 3.165 50 0 EGAAMO Cc1ccc(-c2nc(C[NH+]3CCC4(CC3)OCCO4)cs2)cc1 ZINC000055058956 453959066 /nfs/dbraw/zinc/95/90/66/453959066.db2.gz AVCTZXYTOMKYBI-UHFFFAOYSA-N 1 1 330.453 3.457 50 0 EGAAMO CCn1cc(C[N@@H+](CC)Cc2c[nH]nc2-c2ccc(F)cc2)cn1 ZINC000055107586 453963723 /nfs/dbraw/zinc/96/37/23/453963723.db2.gz KAORNDJMDNXXQD-UHFFFAOYSA-N 1 1 327.407 3.454 50 0 EGAAMO CCc1ccc2nc(NCC[N@H+]3CCC[C@H](CO)C3)cc(C)c2c1 ZINC000055119294 453963957 /nfs/dbraw/zinc/96/39/57/453963957.db2.gz KWNINALISLDGPH-KRWDZBQOSA-N 1 1 327.472 3.222 50 0 EGAAMO CCc1ccc2nc(NCC[N@H+]3CCC[C@@H](CO)C3)cc(C)c2c1 ZINC000055119295 453964939 /nfs/dbraw/zinc/96/49/39/453964939.db2.gz KWNINALISLDGPH-QGZVFWFLSA-N 1 1 327.472 3.222 50 0 EGAAMO COc1cc(C)c(-c2nc(C[N@H+]3CCC[C@@H](CO)C3)c(C)o2)cc1C ZINC000067833762 453971730 /nfs/dbraw/zinc/97/17/30/453971730.db2.gz UTHOUWDPZYVBSC-MRXNPFEDSA-N 1 1 344.455 3.480 50 0 EGAAMO CC[C@H](CO)[N@@H+](Cc1ccco1)Cc1cccc(Cn2cccn2)c1 ZINC000055271632 453973561 /nfs/dbraw/zinc/97/35/61/453973561.db2.gz PBHMQQIZKNQOPD-LJQANCHMSA-N 1 1 339.439 3.298 50 0 EGAAMO CCCSc1ncc(C[NH2+]Cc2c(C)cc(C)nc2OC)cn1 ZINC000055270971 453973859 /nfs/dbraw/zinc/97/38/59/453973859.db2.gz VPDAHVNTUBPEQL-UHFFFAOYSA-N 1 1 332.473 3.289 50 0 EGAAMO Cc1ccc2c(cc(C[N@H+]3CC[C@H](CNC(=O)CC4CC4)C3)n2C)c1 ZINC000067893968 453978337 /nfs/dbraw/zinc/97/83/37/453978337.db2.gz PABNWWDTSQIWEU-QGZVFWFLSA-N 1 1 339.483 3.225 50 0 EGAAMO CC[C@@H]1CN(Cc2cc3cc(C)ccc3[nH]c2=O)CC[N@H+]1C(C)C ZINC000067919655 453980782 /nfs/dbraw/zinc/98/07/82/453980782.db2.gz TXKRXUBLQXOTMZ-GOSISDBHSA-N 1 1 327.472 3.141 50 0 EGAAMO O=C(NCC[C@H]1CCC[N@@H+](Cc2ccco2)C1)c1cccc(O)c1 ZINC000067935088 453981939 /nfs/dbraw/zinc/98/19/39/453981939.db2.gz GUNCJZSDYUBCRN-OAHLLOKOSA-N 1 1 328.412 3.017 50 0 EGAAMO CCc1oc2ccccc2c1C[N@H+]1CC[C@@H](CNC(=O)C(F)F)C1 ZINC000067947093 453983285 /nfs/dbraw/zinc/98/32/85/453983285.db2.gz RSPRRCMJJMZGSE-LBPRGKRZSA-N 1 1 336.382 3.198 50 0 EGAAMO Cc1ccc(-c2c[nH]nc2[C@H]2CCC[N@H+](Cc3cnn(C)c3)C2)cc1 ZINC000067968058 453985017 /nfs/dbraw/zinc/98/50/17/453985017.db2.gz FBPQQVGUCWEJAV-SFHVURJKSA-N 1 1 335.455 3.498 50 0 EGAAMO O=C(NC[C@@H]1CCC[N@H+]2CCCC[C@H]12)c1cc(-c2ccccc2)n[nH]1 ZINC000085876039 454040983 /nfs/dbraw/zinc/04/09/83/454040983.db2.gz CBTDZZQHBUWVLX-QFBILLFUSA-N 1 1 338.455 3.071 50 0 biogenic EGAAMO c1ccc(C[N@H+]2C[C@H]3CC[C@@H]2CN(Cc2noc(C4CC4)n2)C3)cc1 ZINC000095358885 454197785 /nfs/dbraw/zinc/19/77/85/454197785.db2.gz RKSPGUYARLCEBE-FUHWJXTLSA-N 1 1 338.455 3.043 50 0 EGAAMO CCc1nc(C)sc1CNC(=O)[C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC000095388203 454200119 /nfs/dbraw/zinc/20/01/19/454200119.db2.gz WZMWJAXMAFJIOZ-CQSZACIVSA-N 1 1 335.517 3.285 50 0 EGAAMO Cc1ccc(N2CCC(c3[nH+]ccn3Cc3cccnc3)CC2)nc1 ZINC000095503773 454224283 /nfs/dbraw/zinc/22/42/83/454224283.db2.gz WFYUMFSDHODUBW-UHFFFAOYSA-N 1 1 333.439 3.414 50 0 EGAAMO CC(C)c1[nH+]ccn1[C@H](C)C(=O)NCc1c[nH]nc1-c1cccs1 ZINC000095509211 454224920 /nfs/dbraw/zinc/22/49/20/454224920.db2.gz BFJKNDPNNINDAQ-GFCCVEGCSA-N 1 1 343.456 3.336 50 0 EGAAMO Cc1cc(C)nc(CN(C)C(=O)[C@H](c2ccccc2C)[NH+](C)C)c1 ZINC000095510979 454225226 /nfs/dbraw/zinc/22/52/26/454225226.db2.gz JMTDUPJSWNPVTO-IBGZPJMESA-N 1 1 325.456 3.268 50 0 EGAAMO Cc1ccn2cc(CN3C[C@H]4CC[C@H](C[N@@H+]4CC4CCC4)C3)nc2c1 ZINC000091469077 454438778 /nfs/dbraw/zinc/43/87/78/454438778.db2.gz KRZVTCXZVRKIFG-AZUAARDMSA-N 1 1 338.499 3.339 50 0 EGAAMO O=C1CCCN1[C@@H]1CCC[N@H+](Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000097568837 454440283 /nfs/dbraw/zinc/44/02/83/454440283.db2.gz ZYKVSKVVIFAAPK-CQSZACIVSA-N 1 1 342.361 3.172 50 0 EGAAMO COc1ccc(C[N@H+]2CCC[C@H](Cn3ccnc3)C2)c(Cl)c1OC ZINC000097610009 454441894 /nfs/dbraw/zinc/44/18/94/454441894.db2.gz JQFZUKAPVXPIIH-AWEZNQCLSA-N 1 1 349.862 3.466 50 0 EGAAMO Cn1cncc1CN1CCC2(CC1)C[C@H](c1ccccc1)C[N@H+](C)C2 ZINC000091518986 454443505 /nfs/dbraw/zinc/44/35/05/454443505.db2.gz PDKPJKAQIUXSJI-IBGZPJMESA-N 1 1 338.499 3.122 50 0 EGAAMO Cn1cncc1CN1CCC2(CC1)C[C@H](c1ccccc1)C[N@@H+](C)C2 ZINC000091518986 454443510 /nfs/dbraw/zinc/44/35/10/454443510.db2.gz PDKPJKAQIUXSJI-IBGZPJMESA-N 1 1 338.499 3.122 50 0 EGAAMO O=C1N[C@H]2CCC[C@@H]1C[N@@H+](Cc1ccc3c(c1)Cc1ccccc1-3)C2 ZINC000097805505 454446554 /nfs/dbraw/zinc/44/65/54/454446554.db2.gz FSSBZDHIHRVXCI-MJGOQNOKSA-N 1 1 332.447 3.358 50 0 EGAAMO Cc1nc(-c2ccc([C@@H](C)[NH+]3CCOCC3)cc2)cc(-n2cccn2)n1 ZINC000065375542 454556001 /nfs/dbraw/zinc/55/60/01/454556001.db2.gz NRNPUVZYJRCQKO-OAHLLOKOSA-N 1 1 349.438 3.031 50 0 EGAAMO COc1ccccc1OCC[N@H+]1CCCOc2c(cccc2OC)C1 ZINC000065375220 454556441 /nfs/dbraw/zinc/55/64/41/454556441.db2.gz QZBBISMXQMSDBI-UHFFFAOYSA-N 1 1 343.423 3.367 50 0 EGAAMO Cc1nn(CCO)c(C)c1C[N@H+]1CCC[C@@H](c2ccccc2)CC1 ZINC000093003659 454669200 /nfs/dbraw/zinc/66/92/00/454669200.db2.gz GSJDCAAOGHJVGC-LJQANCHMSA-N 1 1 327.472 3.262 50 0 EGAAMO O=C(c1ccsc1)N1CCC[N@H+](Cc2ccc3c(c2)CCO3)CC1 ZINC000171947609 455103804 /nfs/dbraw/zinc/10/38/04/455103804.db2.gz LKUMIEBKRGSABI-UHFFFAOYSA-N 1 1 342.464 3.031 50 0 EGAAMO O=C(c1ccsc1)N1CCC[N@@H+](Cc2ccc3c(c2)CCO3)CC1 ZINC000171947609 455103808 /nfs/dbraw/zinc/10/38/08/455103808.db2.gz LKUMIEBKRGSABI-UHFFFAOYSA-N 1 1 342.464 3.031 50 0 EGAAMO Cc1[nH+]ccn1CC[C@H](NC(=O)Cc1cccnc1)c1ccccc1 ZINC000220507107 456040727 /nfs/dbraw/zinc/04/07/27/456040727.db2.gz YBNZEJHIOCLGQH-IBGZPJMESA-N 1 1 334.423 3.077 50 0 EGAAMO CO[C@]12CC[N@@H+](Cc3ccoc3)[C@H]1C[C@H](Oc1ccccn1)CC2 ZINC000426526740 457848912 /nfs/dbraw/zinc/84/89/12/457848912.db2.gz BBIWMUOLQHUYNL-ZIFCJYIRSA-N 1 1 328.412 3.266 50 0 EGAAMO CCSCC[N@H+]1CC[C@]2(OC)CC[C@@H](Oc3ccccn3)C[C@H]12 ZINC000426546086 457851991 /nfs/dbraw/zinc/85/19/91/457851991.db2.gz FUIDLUSOJOYVNN-SOLBZPMBSA-N 1 1 336.501 3.226 50 0 EGAAMO C[C@H]1CCCC[N@H+]1CCNC(=O)N(C)Cc1ccc2ncccc2c1 ZINC000534581027 459335565 /nfs/dbraw/zinc/33/55/65/459335565.db2.gz CNEJVOFPIJSQQT-INIZCTEOSA-N 1 1 340.471 3.251 50 0 EGAAMO CN(C)C[C@]1(O)CCC[N@H+](CC(c2ccccc2)c2ccccc2)C1 ZINC000216425633 535975470 /nfs/dbraw/zinc/97/54/70/535975470.db2.gz LMJPIZDMUJNKLK-JOCHJYFZSA-N 1 1 338.495 3.207 50 0 EGAAMO CN(C)C[C@]1(O)CCC[N@@H+](CC(c2ccccc2)c2ccccc2)C1 ZINC000216425633 535975476 /nfs/dbraw/zinc/97/54/76/535975476.db2.gz LMJPIZDMUJNKLK-JOCHJYFZSA-N 1 1 338.495 3.207 50 0 EGAAMO CNC(=O)c1ccc(C[N@@H+](C)CCCOc2cc(C)ccc2C)o1 ZINC000244742104 536420748 /nfs/dbraw/zinc/42/07/48/536420748.db2.gz OCABDQWCYCMZOA-UHFFFAOYSA-N 1 1 330.428 3.157 50 0 EGAAMO CC(=O)Nc1ccc2nc(C[N@@H+](C)CCc3ccccn3)ccc2c1 ZINC000670463593 548220492 /nfs/dbraw/zinc/22/04/92/548220492.db2.gz BGUYTFOWBVMBEA-UHFFFAOYSA-N 1 1 334.423 3.263 50 0 EGAAMO O=C(CC(F)(F)F)N[C@@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000012314711 1291131581 /nfs/dbraw/zinc/13/15/81/1291131581.db2.gz CNXYDNGPZYJNEA-CYBMUJFWSA-N 1 1 334.769 3.373 50 0 EGAAMO O=C(CC(F)(F)F)N[C@@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000012314711 1291131587 /nfs/dbraw/zinc/13/15/87/1291131587.db2.gz CNXYDNGPZYJNEA-CYBMUJFWSA-N 1 1 334.769 3.373 50 0 EGAAMO Cc1[nH+]ccn1CC(=O)N[C@@H](c1cccnc1)c1ccc(C)c(C)c1 ZINC000827861477 1292389765 /nfs/dbraw/zinc/38/97/65/1292389765.db2.gz JYSFWTWADJVGEF-HXUWFJFHSA-N 1 1 334.423 3.109 50 0 EGAAMO Cc1[nH+]ccn1Cc1ccccc1NC(=O)c1nn(C)c(C)c1Cl ZINC000828219028 1292443587 /nfs/dbraw/zinc/44/35/87/1292443587.db2.gz IXLBMYSXTBWCOS-UHFFFAOYSA-N 1 1 343.818 3.187 50 0 EGAAMO CCC[N@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1cc3cc(F)ccc3n1C)C2 ZINC000091426046 1292835049 /nfs/dbraw/zinc/83/50/49/1292835049.db2.gz MFICAQBORQWAJB-RHSMWYFYSA-N 1 1 343.446 3.264 50 0 EGAAMO CCOc1ccc(CC(=O)NC[C@H]2CCC[N@H+]3CCCC[C@@H]23)cc1 ZINC000504459863 1297958979 /nfs/dbraw/zinc/95/89/79/1297958979.db2.gz YVKNZDBOSHHBDD-MJGOQNOKSA-N 1 1 330.472 3.009 50 0 EGAAMO Cc1nn(C)c(C)c1CCc1nc(-c2ccco2)nn1-c1cc[nH+]cc1 ZINC000825290555 1320324177 /nfs/dbraw/zinc/32/41/77/1320324177.db2.gz SFSFPPVRXVKJGE-UHFFFAOYSA-N 1 1 348.410 3.058 50 0 EGAAMO FC(F)(F)CCc1nc(Cc2cccnc2)nn1-c1cc[nH+]cc1 ZINC000825682612 1320355098 /nfs/dbraw/zinc/35/50/98/1320355098.db2.gz ZUNWZAHMCUQKGR-UHFFFAOYSA-N 1 1 333.317 3.143 50 0 EGAAMO CCC[N@H+]1CCC[C@@H](Nc2cc(C)nc(-c3ccccc3[O-])n2)C1 ZINC000952966063 1334625988 /nfs/dbraw/zinc/62/59/88/1334625988.db2.gz HOODNXZUDJVJJH-OAHLLOKOSA-N 1 1 326.444 3.444 50 0 EGAAMO CCC[N@@H+]1CCC[C@@H](Nc2cc(C)nc(-c3ccccc3O)n2)C1 ZINC000952966063 1334625990 /nfs/dbraw/zinc/62/59/90/1334625990.db2.gz HOODNXZUDJVJJH-OAHLLOKOSA-N 1 1 326.444 3.444 50 0 EGAAMO CCC[N@H+]1CCC[C@@H](Nc2cc(C)nc(-c3ccccc3O)n2)C1 ZINC000952966063 1334625992 /nfs/dbraw/zinc/62/59/92/1334625992.db2.gz HOODNXZUDJVJJH-OAHLLOKOSA-N 1 1 326.444 3.444 50 0 EGAAMO C[NH+](C)C1(CNCc2cc(F)ccc2-n2cccn2)CCCCC1 ZINC000952978056 1334629113 /nfs/dbraw/zinc/62/91/13/1334629113.db2.gz KDNLYWXWGINZEG-UHFFFAOYSA-N 1 1 330.451 3.366 50 0 EGAAMO Nc1ncc2c(n1)[C@@]1(CC2)CCC[N@@H+](Cc2cccc3[nH]ccc32)C1 ZINC001704325335 1416444426 /nfs/dbraw/zinc/44/44/26/1416444426.db2.gz LVQUOMTZPYXYBB-HXUWFJFHSA-N 1 1 333.439 3.020 50 0 EGAAMO COc1ccc(OC)c([C@H]2CC[N@@H+](CCn3cc(Cl)cn3)C2)c1 ZINC001704348393 1416451599 /nfs/dbraw/zinc/45/15/99/1416451599.db2.gz MBDMUEXZQOLFFH-ZDUSSCGKSA-N 1 1 335.835 3.043 50 0 EGAAMO O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2F)C1)c1ccncc1Cl ZINC000067472731 215150427 /nfs/dbraw/zinc/15/04/27/215150427.db2.gz ZGDVOBVOHMQELQ-ZDUSSCGKSA-N 1 1 347.821 3.126 50 0 EGAAMO O=C(NC[C@@H]1CC[N@@H+](C/C=C/c2ccccc2)C1)c1cccc(O)c1 ZINC000067489519 215153519 /nfs/dbraw/zinc/15/35/19/215153519.db2.gz MDAZXBPNAMFNAI-MOTZXUDYSA-N 1 1 336.435 3.157 50 0 EGAAMO COc1ccc(CC(=O)NCc2ccc(-n3cc[nH+]c3C)cc2)cc1 ZINC000019225454 202001556 /nfs/dbraw/zinc/00/15/56/202001556.db2.gz NBXJVVBLRDVBOC-UHFFFAOYSA-N 1 1 335.407 3.048 50 0 EGAAMO CCOC(=O)[C@@H]1CCC[N@H+](Cc2ccc(Br)s2)C1 ZINC000019537572 202012171 /nfs/dbraw/zinc/01/21/71/202012171.db2.gz GLLQFVYJKHCUNA-SNVBAGLBSA-N 1 1 332.263 3.286 50 0 EGAAMO CCOC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(Br)s2)C1 ZINC000019537572 202012175 /nfs/dbraw/zinc/01/21/75/202012175.db2.gz GLLQFVYJKHCUNA-SNVBAGLBSA-N 1 1 332.263 3.286 50 0 EGAAMO CC(C)(C)C[N@H+]1CCN(Cc2cccc3cccnc32)C[C@@H]1CCO ZINC000020784084 202054751 /nfs/dbraw/zinc/05/47/51/202054751.db2.gz JTJKGUXXWOJSND-IBGZPJMESA-N 1 1 341.499 3.150 50 0 EGAAMO COc1ccccc1C[N@@H+]1CCc2nnc(-c3ccccc3)n2CC1 ZINC000020782196 202055129 /nfs/dbraw/zinc/05/51/29/202055129.db2.gz ROMKKRBMYGQGSI-UHFFFAOYSA-N 1 1 334.423 3.012 50 0 EGAAMO O[C@@H](c1ccc(Cl)cc1)[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000020813084 202055496 /nfs/dbraw/zinc/05/54/96/202055496.db2.gz FUDJAHCMDYNXAS-MOPGFXCFSA-N 1 1 331.843 3.489 50 0 EGAAMO Cn1cc(-c2cccc(-c3ccn(CC[C@@H]4CCC[N@H+]4C)n3)c2)cn1 ZINC000023619542 202105909 /nfs/dbraw/zinc/10/59/09/202105909.db2.gz VVUISSKUXKRDQG-IBGZPJMESA-N 1 1 335.455 3.435 50 0 EGAAMO COC(=O)c1ccc(C[N@@H+](C)CCc2ccc(OC)c(OC)c2)cc1 ZINC000023280251 202101187 /nfs/dbraw/zinc/10/11/87/202101187.db2.gz GAJRHTNDBBCRHH-UHFFFAOYSA-N 1 1 343.423 3.165 50 0 EGAAMO OCC[NH+]1CCN([C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000023478350 202104539 /nfs/dbraw/zinc/10/45/39/202104539.db2.gz ZJQSBXXYLQGZBR-IBGZPJMESA-N 1 1 330.859 3.039 50 0 EGAAMO C[N@H+]1CCC[C@@H](c2cc(=O)[nH]c(-c3ccccc3C(F)(F)F)n2)C1 ZINC000023428685 202104842 /nfs/dbraw/zinc/10/48/42/202104842.db2.gz UYHPOVCWRXGCMR-LLVKDONJSA-N 1 1 337.345 3.265 50 0 EGAAMO Cc1c2cc(C)ccc2oc1C[N@@H+]1C[C@H](O)[C@@H](N2CCCCC2)C1 ZINC000214978344 241098700 /nfs/dbraw/zinc/09/87/00/241098700.db2.gz VXKDTYGSOBPXFE-ROUUACIJSA-N 1 1 328.456 3.081 50 0 EGAAMO Cc1c2cc(C)ccc2oc1C[N@H+]1C[C@H](O)[C@@H](N2CCCCC2)C1 ZINC000214978344 241098708 /nfs/dbraw/zinc/09/87/08/241098708.db2.gz VXKDTYGSOBPXFE-ROUUACIJSA-N 1 1 328.456 3.081 50 0 EGAAMO C[N@@H+](Cc1cnc(-c2ccco2)nc1)C[C@H]1COc2ccccc2O1 ZINC000215259263 241114747 /nfs/dbraw/zinc/11/47/47/241114747.db2.gz QYMDBNINEVVIFI-HNNXBMFYSA-N 1 1 337.379 3.008 50 0 EGAAMO C[N@H+](Cc1cnc(-c2ccco2)nc1)C[C@H]1COc2ccccc2O1 ZINC000215259263 241114753 /nfs/dbraw/zinc/11/47/53/241114753.db2.gz QYMDBNINEVVIFI-HNNXBMFYSA-N 1 1 337.379 3.008 50 0 EGAAMO CSc1ncc(C[N@@H+](C)C[C@H]2CCN(c3ccccc3)C2)cn1 ZINC000215219130 241115797 /nfs/dbraw/zinc/11/57/97/241115797.db2.gz APRYAWZNDRDPHI-OAHLLOKOSA-N 1 1 328.485 3.157 50 0 EGAAMO Clc1cccc2ccc(C[N@H+]3CCC[C@@H](c4nnc[nH]4)C3)nc12 ZINC000216123914 241167847 /nfs/dbraw/zinc/16/78/47/241167847.db2.gz CEQUYFIMAGMXEJ-CYBMUJFWSA-N 1 1 327.819 3.386 50 0 EGAAMO C[C@@H](Cc1cnccn1)[N@@H+](C)Cc1cnc(C2CCCCC2)nc1 ZINC000216248660 241178991 /nfs/dbraw/zinc/17/89/91/241178991.db2.gz YCLPQTPTNIAKLJ-HNNXBMFYSA-N 1 1 325.460 3.377 50 0 EGAAMO CCCn1ncc(C[N@@H+](Cc2ccncc2)C[C@@H]2CCCO2)c1C ZINC000215533797 241130383 /nfs/dbraw/zinc/13/03/83/241130383.db2.gz JWDOAPFLWCGCCR-IBGZPJMESA-N 1 1 328.460 3.178 50 0 EGAAMO CCCn1ncc(C[N@H+](Cc2ccncc2)C[C@@H]2CCCO2)c1C ZINC000215533797 241130387 /nfs/dbraw/zinc/13/03/87/241130387.db2.gz JWDOAPFLWCGCCR-IBGZPJMESA-N 1 1 328.460 3.178 50 0 EGAAMO CC(C)[N@H+]1CCC[C@@H](CCNC(=O)c2cnc3ccccc3c2)C1 ZINC000071279004 203088248 /nfs/dbraw/zinc/08/82/48/203088248.db2.gz FGBJVCQCEMPSIV-INIZCTEOSA-N 1 1 325.456 3.475 50 0 EGAAMO Cc1ccc(C(=O)N2CCC[N@@H+](CC3CC3)[C@H](C(C)C)C2)cc1O ZINC000071751151 203108612 /nfs/dbraw/zinc/10/86/12/203108612.db2.gz JWTRGDFZICTUCM-SFHVURJKSA-N 1 1 330.472 3.283 50 0 EGAAMO O=C(NC1CC1)c1ccccc1OC[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000072125652 203165163 /nfs/dbraw/zinc/16/51/63/203165163.db2.gz CDMVOUABEYOPIL-MAUKXSAKSA-N 1 1 328.456 3.222 50 0 EGAAMO CC(C)Cn1cncc1C[N@H+]1CCC[C@@]2(C1)c1ccccc1NC2=O ZINC000072162637 203177326 /nfs/dbraw/zinc/17/73/26/203177326.db2.gz FVWCATHFIVTEMQ-HXUWFJFHSA-N 1 1 338.455 3.025 50 0 EGAAMO C[C@@H]1Cc2cc(C[N@H+]3CCCN(Cc4ccncc4)CC3)ccc2O1 ZINC000072163537 203178405 /nfs/dbraw/zinc/17/84/05/203178405.db2.gz YWSFRDLXHLUIFZ-QGZVFWFLSA-N 1 1 337.467 3.113 50 0 EGAAMO C[C@@H]1Cc2cc(CN3CCC[N@H+](Cc4ccncc4)CC3)ccc2O1 ZINC000072163537 203178406 /nfs/dbraw/zinc/17/84/06/203178406.db2.gz YWSFRDLXHLUIFZ-QGZVFWFLSA-N 1 1 337.467 3.113 50 0 EGAAMO C[C@@H]1Cc2cc(CN3CCC[N@@H+](Cc4ccncc4)CC3)ccc2O1 ZINC000072163537 203178408 /nfs/dbraw/zinc/17/84/08/203178408.db2.gz YWSFRDLXHLUIFZ-QGZVFWFLSA-N 1 1 337.467 3.113 50 0 EGAAMO Cc1c(Cl)ccc(OCCOCC[NH+]2C[C@@H](C)O[C@H](C)C2)c1C ZINC000020167160 212108111 /nfs/dbraw/zinc/10/81/11/212108111.db2.gz VQOTZXGWFNHLHE-ZIAGYGMSSA-N 1 1 341.879 3.461 50 0 EGAAMO Cc1cc(C)n(C2C[NH+](Cc3ccc(CCC(C)(C)O)cc3)C2)n1 ZINC000072418352 203219333 /nfs/dbraw/zinc/21/93/33/203219333.db2.gz COCDWHOSDBCODA-UHFFFAOYSA-N 1 1 327.472 3.260 50 0 EGAAMO CN1C[C@@]2(CC[N@@H+](CC(c3ccccc3)c3ccccc3)C2)OC1=O ZINC000072422708 203219606 /nfs/dbraw/zinc/21/96/06/203219606.db2.gz MIWSFLGYHASHDR-OAQYLSRUSA-N 1 1 336.435 3.345 50 0 EGAAMO CCc1[nH+]ccn1CCNC(=O)c1cc(C)nc2c(C)c(C)ccc12 ZINC000077302270 203377913 /nfs/dbraw/zinc/37/79/13/203377913.db2.gz URLWQLBYDATTHL-UHFFFAOYSA-N 1 1 336.439 3.349 50 0 EGAAMO Cc1ccc(OC2CCN(C(=O)C[C@H]3CCCC[N@@H+]3C)CC2)cc1 ZINC000077374894 203384106 /nfs/dbraw/zinc/38/41/06/203384106.db2.gz KOSPZFIMOFNUHR-QGZVFWFLSA-N 1 1 330.472 3.239 50 0 EGAAMO O=C(C[N@H+]1CCCC[C@@H]1CCc1cccs1)NCc1ccccn1 ZINC000077423090 203387782 /nfs/dbraw/zinc/38/77/82/203387782.db2.gz RYZTXXJIZZGFFH-QGZVFWFLSA-N 1 1 343.496 3.247 50 0 EGAAMO COc1cc(F)c(C[NH+]2CCC([C@@H](O)CC(C)C)CC2)cc1OC ZINC000077458018 203389065 /nfs/dbraw/zinc/38/90/65/203389065.db2.gz IJTKRWWGCCXTBP-KRWDZBQOSA-N 1 1 339.451 3.462 50 0 EGAAMO Cc1ncsc1CCC(=O)N1CCC[N@@H+](Cc2cccs2)CC1 ZINC000077489638 203391501 /nfs/dbraw/zinc/39/15/01/203391501.db2.gz KAKPDNFLNPGJJI-UHFFFAOYSA-N 1 1 349.525 3.180 50 0 EGAAMO CC(C)Cn1c[nH+]cc1Cn1ccnc1-c1ccc(-c2cc[nH]n2)o1 ZINC000077487847 203391508 /nfs/dbraw/zinc/39/15/08/203391508.db2.gz WLWBDIXNHGIXMG-UHFFFAOYSA-N 1 1 336.399 3.434 50 0 EGAAMO Cc1nc[nH]c1C[N@H+]1CCC[C@@H](c2n[nH]cc2Cc2ccccc2)C1 ZINC000077537879 203394610 /nfs/dbraw/zinc/39/46/10/203394610.db2.gz PIWJJWFYFLCJEI-QGZVFWFLSA-N 1 1 335.455 3.412 50 0 EGAAMO C[N@H+]1CCC[C@H]1CCNC(=O)Nc1ccc(-c2cscn2)cc1 ZINC000299788119 258094245 /nfs/dbraw/zinc/09/42/45/258094245.db2.gz VHPRSKCXFSEKDC-HNNXBMFYSA-N 1 1 330.457 3.416 50 0 EGAAMO CCC[C@@H]1CN(C(=O)c2cc(CN(CC)CC)oc2C)C[C@H]1[NH+](C)C ZINC000082099042 276030423 /nfs/dbraw/zinc/03/04/23/276030423.db2.gz VDZJVFUITSVICM-VQIMIIECSA-N 1 1 349.519 3.232 50 0 EGAAMO Cc1nc(C)c(C(=O)N2CCCC[C@@H]2CCn2cc[nH+]c2C)s1 ZINC000082096190 279073793 /nfs/dbraw/zinc/07/37/93/279073793.db2.gz LIHSLOJWDKVDSI-OAHLLOKOSA-N 1 1 332.473 3.350 50 0 EGAAMO CC[N@H+](CCc1nc2cc(F)ccc2[nH]1)CCn1cc(Cl)cn1 ZINC000244796103 455276992 /nfs/dbraw/zinc/27/69/92/455276992.db2.gz RSXZMTYJGLSTNV-UHFFFAOYSA-N 1 1 335.814 3.117 50 0 EGAAMO CC[N@@H+](CCc1nc2ccc(F)cc2[nH]1)CCn1cc(Cl)cn1 ZINC000244796103 455276996 /nfs/dbraw/zinc/27/69/96/455276996.db2.gz RSXZMTYJGLSTNV-UHFFFAOYSA-N 1 1 335.814 3.117 50 0 EGAAMO CCCn1cc(C[N@@H+]2CCN(c3ccccc3OC)C[C@H]2C)c(C)n1 ZINC000244758112 455277220 /nfs/dbraw/zinc/27/72/20/455277220.db2.gz OSQSTEOEWKIFTD-MRXNPFEDSA-N 1 1 342.487 3.321 50 0 EGAAMO CCCn1cc(C[N@H+]2CCN(c3ccccc3OC)C[C@H]2C)c(C)n1 ZINC000244758112 455277224 /nfs/dbraw/zinc/27/72/24/455277224.db2.gz OSQSTEOEWKIFTD-MRXNPFEDSA-N 1 1 342.487 3.321 50 0 EGAAMO c1ccc(-c2nnc(NCCC[NH+]3CCOCC3)c3ccccc32)cc1 ZINC000001811762 452679568 /nfs/dbraw/zinc/67/95/68/452679568.db2.gz HAYASNHHKNTWEM-UHFFFAOYSA-N 1 1 348.450 3.431 50 0 EGAAMO COc1cccc(C(=O)c2cccc(C[NH+]3CCSCC3)c2)c1 ZINC000002515272 452701325 /nfs/dbraw/zinc/70/13/25/452701325.db2.gz OIRFWPSKUXJMAJ-UHFFFAOYSA-N 1 1 327.449 3.475 50 0 EGAAMO CSc1ccc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](C)C4)cc1 ZINC000004172301 452795069 /nfs/dbraw/zinc/79/50/69/452795069.db2.gz XZMZBIBRSIFFNG-HNNXBMFYSA-N 1 1 345.493 3.312 50 0 EGAAMO CSc1ccc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](C)C4)cc1 ZINC000004172301 452795077 /nfs/dbraw/zinc/79/50/77/452795077.db2.gz XZMZBIBRSIFFNG-HNNXBMFYSA-N 1 1 345.493 3.312 50 0 EGAAMO Cc1ccc2[nH]c3c(c2c1)CN(C(=O)C[N@@H+]1C[C@H](C)C[C@H](C)C1)CC3 ZINC000004871619 452824530 /nfs/dbraw/zinc/82/45/30/452824530.db2.gz LEZNGZQEMXODLX-IYBDPMFKSA-N 1 1 339.483 3.339 50 0 EGAAMO CCC(=O)NC[C@@H](C)Oc1cccc(C[N@@H+](C)Cc2ccoc2)c1 ZINC000011880892 453334469 /nfs/dbraw/zinc/33/44/69/453334469.db2.gz QOYXBVDPSYBGPI-OAHLLOKOSA-N 1 1 330.428 3.205 50 0 EGAAMO Cc1nc[nH]c1CN(C)C[C@@H]1CCC[N@@H+](CCc2ccc(F)cc2)C1 ZINC000011936388 453339721 /nfs/dbraw/zinc/33/97/21/453339721.db2.gz JXSUOKXESLHCFY-SFHVURJKSA-N 1 1 344.478 3.244 50 0 EGAAMO Cn1c2ccccc2nc1C[N@H+]1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC000011935994 453341279 /nfs/dbraw/zinc/34/12/79/453341279.db2.gz XIYBJGQEOOTTKR-JOCHJYFZSA-N 1 1 349.478 3.391 50 0 EGAAMO Fc1ccccc1CN1CCC[C@@]2(CC[N@H+](C3CCOCC3)C2)C1 ZINC000012053931 453342631 /nfs/dbraw/zinc/34/26/31/453342631.db2.gz FBYYIPHYZAFTGG-HXUWFJFHSA-N 1 1 332.463 3.293 50 0 EGAAMO Cc1cc(C[N@H+](C)[C@H]2CCC(=O)N(Cc3cccc(C)c3)CC2)on1 ZINC000012037923 453342988 /nfs/dbraw/zinc/34/29/88/453342988.db2.gz MBMNVRRZMDKCMT-SFHVURJKSA-N 1 1 341.455 3.305 50 0 EGAAMO COc1cc(OC)cc(C(=O)NC[C@@H]2CCC[N@@H+](CC(C)(C)C)C2)c1 ZINC000012458453 453364646 /nfs/dbraw/zinc/36/46/46/453364646.db2.gz IOBPGHJMSXFZBL-HNNXBMFYSA-N 1 1 348.487 3.192 50 0 EGAAMO O=C(CCc1ccccc1)N[C@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000012718855 453395170 /nfs/dbraw/zinc/39/51/70/453395170.db2.gz DZTCVSZKTZCFBR-NRFANRHFSA-N 1 1 336.479 3.443 50 0 EGAAMO Cc1scc(C(=O)NCCC[NH+]2CCOCC2)c1-c1ccccc1 ZINC000013744352 453486544 /nfs/dbraw/zinc/48/65/44/453486544.db2.gz VMHXXHHWUZUOFQ-UHFFFAOYSA-N 1 1 344.480 3.176 50 0 EGAAMO CC(C)c1ccc(C[N@@H+]2CCc3nnc([C@@H]4CCCO4)n3CC2)cc1 ZINC000014998543 453550786 /nfs/dbraw/zinc/55/07/86/453550786.db2.gz HJCCAGZFUKWYQI-SFHVURJKSA-N 1 1 340.471 3.311 50 0 EGAAMO Cc1ccccc1-n1c(=O)c2c3c(sc2[nH]c1=S)C[N@H+](C)CC3 ZINC000017945380 453640529 /nfs/dbraw/zinc/64/05/29/453640529.db2.gz DHLMPBBVVGUODK-UHFFFAOYSA-N 1 1 343.477 3.406 50 0 EGAAMO Cc1ccccc1-n1c(=O)c2c3c(sc2[nH]c1=S)C[N@@H+](C)CC3 ZINC000017945380 453640531 /nfs/dbraw/zinc/64/05/31/453640531.db2.gz DHLMPBBVVGUODK-UHFFFAOYSA-N 1 1 343.477 3.406 50 0 EGAAMO CCCc1nc(C(=O)N2CC[NH+](Cc3ccccc3C)CC2)cs1 ZINC000082148308 453926763 /nfs/dbraw/zinc/92/67/63/453926763.db2.gz RNCSMPHDWONQLX-UHFFFAOYSA-N 1 1 343.496 3.362 50 0 EGAAMO Cc1ccccc1-c1cc(O)c2c(c1)C[N@H+](CCCCO)CCO2 ZINC000067459002 453932922 /nfs/dbraw/zinc/93/29/22/453932922.db2.gz HWUFZOOCULOZBP-UHFFFAOYSA-N 1 1 327.424 3.335 50 0 EGAAMO Cc1ccccc1C[N@H+]1CCN(Cc2ccccc2F)[C@H](CCO)C1 ZINC000039516065 453944520 /nfs/dbraw/zinc/94/45/20/453944520.db2.gz NDEJPDBHRUPJME-HXUWFJFHSA-N 1 1 342.458 3.203 50 0 EGAAMO CC[N@H+]1CCC[C@@H](CN(C)c2nc(C)c3ccc(OC)cc3n2)C1 ZINC000067588197 453946186 /nfs/dbraw/zinc/94/61/86/453946186.db2.gz VVPQTTGCAHWDNE-HNNXBMFYSA-N 1 1 328.460 3.115 50 0 EGAAMO CCc1[nH]c(CN2CCc3nc[nH]c3[C@H]2Cc2ccccc2)c(C)[nH+]1 ZINC000067675495 453955532 /nfs/dbraw/zinc/95/55/32/453955532.db2.gz MDVDXWAGUMDZDZ-GOSISDBHSA-N 1 1 335.455 3.346 50 0 EGAAMO C[C@H](C(=O)NC1CCCC1)[N@H+](C)Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000067695727 453957857 /nfs/dbraw/zinc/95/78/57/453957857.db2.gz GTPSFMVAHLRMEN-CYBMUJFWSA-N 1 1 344.434 3.095 50 0 EGAAMO C[C@H](C(=O)NC1CCCC1)[N@@H+](C)Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000067695727 453957860 /nfs/dbraw/zinc/95/78/60/453957860.db2.gz GTPSFMVAHLRMEN-CYBMUJFWSA-N 1 1 344.434 3.095 50 0 EGAAMO O=C(NCC1CC[NH+](Cc2coc(-c3ccccc3)n2)CC1)C1CC1 ZINC000067713702 453959772 /nfs/dbraw/zinc/95/97/72/453959772.db2.gz RDZQLNANRDWENZ-UHFFFAOYSA-N 1 1 339.439 3.080 50 0 EGAAMO CC(C)CC[C@H](C)NC(=O)c1cc(Cn2cc[nH+]c2C(C)C)n[nH]1 ZINC000067847216 453971976 /nfs/dbraw/zinc/97/19/76/453971976.db2.gz FJURSPQNDRGLDX-AWEZNQCLSA-N 1 1 331.464 3.332 50 0 EGAAMO C[C@@H](c1cc2ccccc2[nH]1)[N@@H+](C)CCC(=O)NCc1ccco1 ZINC000067846939 453972034 /nfs/dbraw/zinc/97/20/34/453972034.db2.gz ANCORFVMBQWAIT-AWEZNQCLSA-N 1 1 325.412 3.460 50 0 EGAAMO C/C(=C\c1ccco1)C[N@H+]1CC[C@@H](CNC(=O)c2occc2C)C1 ZINC000067851164 453972673 /nfs/dbraw/zinc/97/26/73/453972673.db2.gz IKOXRFXTEVTEDE-DKGMDFAASA-N 1 1 328.412 3.336 50 0 EGAAMO O=C(C1CCC1)N1CCC[N@H+](Cc2ccc([C@H]3CCCO3)s2)CC1 ZINC000067871508 453974999 /nfs/dbraw/zinc/97/49/99/453974999.db2.gz XJXHYKJAHVJVGT-QGZVFWFLSA-N 1 1 348.512 3.434 50 0 EGAAMO O=C(C1CCC1)N1CCC[N@@H+](Cc2ccc([C@H]3CCCO3)s2)CC1 ZINC000067871508 453975003 /nfs/dbraw/zinc/97/50/03/453975003.db2.gz XJXHYKJAHVJVGT-QGZVFWFLSA-N 1 1 348.512 3.434 50 0 EGAAMO CNc1ncccc1C[N@@H+](Cc1ccc(F)cc1)C[C@H]1CCCO1 ZINC000055340932 453977129 /nfs/dbraw/zinc/97/71/29/453977129.db2.gz MHJQMXJOXMBKCJ-GOSISDBHSA-N 1 1 329.419 3.444 50 0 EGAAMO CNc1ncccc1C[N@H+](Cc1ccc(F)cc1)C[C@H]1CCCO1 ZINC000055340932 453977130 /nfs/dbraw/zinc/97/71/30/453977130.db2.gz MHJQMXJOXMBKCJ-GOSISDBHSA-N 1 1 329.419 3.444 50 0 EGAAMO c1nc(C[NH+]2CCCC2)sc1-c1n[nH]c(Cc2ccccc2)n1 ZINC000067894302 453977817 /nfs/dbraw/zinc/97/78/17/453977817.db2.gz AIHLUYFMFKLBBQ-UHFFFAOYSA-N 1 1 325.441 3.115 50 0 EGAAMO Cc1ccc2[nH]cc(C[N@H+]3CCCN(C(=O)c4ccco4)CC3)c2c1 ZINC000067895014 453978245 /nfs/dbraw/zinc/97/82/45/453978245.db2.gz TZTZUBNDCZQKTG-UHFFFAOYSA-N 1 1 337.423 3.417 50 0 EGAAMO Cc1cccc(C[NH+]2CCN(C(=O)c3ccc4[nH]ccc4c3)CC2)c1 ZINC000055371557 453979383 /nfs/dbraw/zinc/97/93/83/453979383.db2.gz RSCILTLFKMDASQ-UHFFFAOYSA-N 1 1 333.435 3.434 50 0 EGAAMO Cc1oc(-c2cccc(C(F)(F)F)c2)nc1CN1CC[NH+](C)CC1 ZINC000067910059 453980080 /nfs/dbraw/zinc/98/00/80/453980080.db2.gz CDUNDUKSIJYIOC-UHFFFAOYSA-N 1 1 339.361 3.416 50 0 EGAAMO CCNc1ncc(C[N@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)cn1 ZINC000067935056 453982034 /nfs/dbraw/zinc/98/20/34/453982034.db2.gz KLZSQJINRYHDGP-OAHLLOKOSA-N 1 1 337.427 3.429 50 0 EGAAMO C[NH+](C)[C@H](C(=O)N1CCC(c2ccncc2)CC1)c1ccc(F)cc1 ZINC000095366477 454197238 /nfs/dbraw/zinc/19/72/38/454197238.db2.gz UHQLRMNSBUVGLN-IBGZPJMESA-N 1 1 341.430 3.230 50 0 EGAAMO CN(Cc1cc(C2CC2)[nH]n1)C(=O)c1ccc([C@H]2CCC[NH2+]C2)cc1 ZINC000095366640 454198391 /nfs/dbraw/zinc/19/83/91/454198391.db2.gz IUSHAKVRHIXTOZ-KRWDZBQOSA-N 1 1 338.455 3.026 50 0 EGAAMO c1cn(Cc2cscn2)c([C@H]2CCCN(c3ccccn3)C2)[nH+]1 ZINC000095382802 454200303 /nfs/dbraw/zinc/20/03/03/454200303.db2.gz UZJAZDDGVVVNEH-AWEZNQCLSA-N 1 1 325.441 3.167 50 0 EGAAMO Cc1[nH]ccc1C(=O)N1C[C@H]2CC[C@@H]1C[N@@H+](Cc1ccc(F)cc1)C2 ZINC000095382646 454200621 /nfs/dbraw/zinc/20/06/21/454200621.db2.gz OCWJPBZLGFOGKA-FUHWJXTLSA-N 1 1 341.430 3.199 50 0 EGAAMO Cc1ccc(NC(=O)N2CCC[N@H+](Cc3ccncc3)CC2)cc1F ZINC000095507323 454223424 /nfs/dbraw/zinc/22/34/24/454223424.db2.gz OPELQMFSRILTTC-UHFFFAOYSA-N 1 1 342.418 3.269 50 0 EGAAMO Cc1ccc(NC(=O)N2CCC[N@@H+](Cc3ccncc3)CC2)cc1F ZINC000095507323 454223427 /nfs/dbraw/zinc/22/34/27/454223427.db2.gz OPELQMFSRILTTC-UHFFFAOYSA-N 1 1 342.418 3.269 50 0 EGAAMO CSCC(=O)N1CCC2(CC1)C[C@H](c1ccccc1)C[N@@H+](C)C2 ZINC000096139822 454291471 /nfs/dbraw/zinc/29/14/71/454291471.db2.gz DCHISBGNHRIWIF-KRWDZBQOSA-N 1 1 332.513 3.078 50 0 EGAAMO C[C@H]1CCCC[N@H+]1C1CN(C(=O)Nc2ccc(-c3cc[nH]n3)cc2)C1 ZINC000096137898 454292092 /nfs/dbraw/zinc/29/20/92/454292092.db2.gz ZKGXAYLZVOLZKS-AWEZNQCLSA-N 1 1 339.443 3.167 50 0 EGAAMO CSc1ccc(NC(=O)NC2(C[NH+]3CCOCC3)CCCC2)cc1 ZINC000096140903 454293096 /nfs/dbraw/zinc/29/30/96/454293096.db2.gz SNRRULGONRAYHI-UHFFFAOYSA-N 1 1 349.500 3.175 50 0 EGAAMO Cc1nnc([C@@H]2CCC[N@@H+]2Cc2c(C)cc(C)cc2-n2cccn2)[nH]1 ZINC000097743556 454445553 /nfs/dbraw/zinc/44/55/53/454445553.db2.gz YBURSHYSAPFJKJ-KRWDZBQOSA-N 1 1 336.443 3.253 50 0 EGAAMO Cc1nnc([C@@H]2CCC[N@H+]2Cc2c(C)cc(C)cc2-n2cccn2)[nH]1 ZINC000097743556 454445555 /nfs/dbraw/zinc/44/55/55/454445555.db2.gz YBURSHYSAPFJKJ-KRWDZBQOSA-N 1 1 336.443 3.253 50 0 EGAAMO Cc1ccsc1C(=O)N[C@@H]1CCC[N@@H+](Cc2c(C)noc2C)C1 ZINC000098211912 454463392 /nfs/dbraw/zinc/46/33/92/454463392.db2.gz SIRJHACNNRLPID-CQSZACIVSA-N 1 1 333.457 3.056 50 0 EGAAMO Cc1ccsc1C(=O)N[C@@H]1CCC[N@H+](Cc2c(C)noc2C)C1 ZINC000098211912 454463396 /nfs/dbraw/zinc/46/33/96/454463396.db2.gz SIRJHACNNRLPID-CQSZACIVSA-N 1 1 333.457 3.056 50 0 EGAAMO CC(C)=CC[C@]1(CO)CCC[N@H+](C2CCN(C(=O)C3CCC3)CC2)C1 ZINC000091830291 454477854 /nfs/dbraw/zinc/47/78/54/454477854.db2.gz MEUBKCRMTNTKBE-OAQYLSRUSA-N 1 1 348.531 3.208 50 0 EGAAMO Cc1ccc(C(=O)N2C[C@H]3CC[C@H](C[N@@H+]3Cc3ccccc3)C2)cn1 ZINC000091943614 454491362 /nfs/dbraw/zinc/49/13/62/454491362.db2.gz NJWVGRYFTCPDTH-UYAOXDASSA-N 1 1 335.451 3.127 50 0 EGAAMO Cc1nccn1-c1ccc(-c2ccc([C@@H](C)[NH+]3CCOCC3)cc2)nn1 ZINC000065387099 454557999 /nfs/dbraw/zinc/55/79/99/454557999.db2.gz KXISUGWBKUWRFL-OAHLLOKOSA-N 1 1 349.438 3.031 50 0 EGAAMO Cc1cc(C)n([C@@H]2CC[N@@H+](Cc3cccn3-c3nccs3)C2)n1 ZINC000065456055 454570774 /nfs/dbraw/zinc/57/07/74/454570774.db2.gz OTXAARCBPMTACF-MRXNPFEDSA-N 1 1 327.457 3.194 50 0 EGAAMO Cc1ccc(CN2CC[N@H+](Cc3ccc(C)s3)C[C@H]2CCO)o1 ZINC000104433982 454586497 /nfs/dbraw/zinc/58/64/97/454586497.db2.gz VAITXRSDQNTNEP-MRXNPFEDSA-N 1 1 334.485 3.027 50 0 EGAAMO Cc1ccc(CN2CC[N@@H+](Cc3ccc(C)s3)C[C@H]2CCO)o1 ZINC000104433982 454586505 /nfs/dbraw/zinc/58/65/05/454586505.db2.gz VAITXRSDQNTNEP-MRXNPFEDSA-N 1 1 334.485 3.027 50 0 EGAAMO COCCOC1CC[NH+](Cc2ccccc2OC(F)(F)F)CC1 ZINC000124837093 454774404 /nfs/dbraw/zinc/77/44/04/454774404.db2.gz FGJMXSXXAJDAKK-UHFFFAOYSA-N 1 1 333.350 3.213 50 0 EGAAMO C[C@@]12CC[N@H+](Cc3ncn(-c4ccccc4)n3)C[C@@H]1C2(Cl)Cl ZINC000284805736 455745436 /nfs/dbraw/zinc/74/54/36/455745436.db2.gz OWVNMAMFHACGCD-DZGCQCFKSA-N 1 1 337.254 3.283 50 0 EGAAMO C[C@@]12CC[N@@H+](Cc3ncn(-c4ccccc4)n3)C[C@@H]1C2(Cl)Cl ZINC000284805736 455745439 /nfs/dbraw/zinc/74/54/39/455745439.db2.gz OWVNMAMFHACGCD-DZGCQCFKSA-N 1 1 337.254 3.283 50 0 EGAAMO C[N@H+]1CCN(Cc2cncn2Cc2ccccc2)C[C@H]1c1ccccc1 ZINC000252484317 455809485 /nfs/dbraw/zinc/80/94/85/455809485.db2.gz FUGTXBNIRYEQTO-QFIPXVFZSA-N 1 1 346.478 3.420 50 0 EGAAMO CC[N@H+](Cc1cnc(-c2ccc(OC)cc2)nc1)C[C@@H]1CCCO1 ZINC000223605382 456058493 /nfs/dbraw/zinc/05/84/93/456058493.db2.gz QJZNKBIEJBTUNB-SFHVURJKSA-N 1 1 327.428 3.153 50 0 EGAAMO CC[C@H](CNC(=O)N(C)Cc1cc2cc(F)ccc2[nH]1)[N@@H+](C)CC ZINC000534646458 459341687 /nfs/dbraw/zinc/34/16/87/459341687.db2.gz WSAUSMCQAOZDJQ-MRXNPFEDSA-N 1 1 334.439 3.179 50 0 EGAAMO CCc1[nH]nc(Cl)c1C[NH2+]C1CCN([C@H](C)c2ccncc2)CC1 ZINC000585137129 459828661 /nfs/dbraw/zinc/82/86/61/459828661.db2.gz JQWFYQOCDXQHKX-CYBMUJFWSA-N 1 1 347.894 3.336 50 0 EGAAMO CC(C)Cc1noc([C@@H]2CCC[N@H+](C3CSCCSC3)C2)n1 ZINC000670467535 548220339 /nfs/dbraw/zinc/22/03/39/548220339.db2.gz CXSGTKGZLWLUOC-CYBMUJFWSA-N 1 1 341.546 3.296 50 0 EGAAMO Cc1cnccc1CNC(=O)[C@@H](c1ccc(F)cc1)[NH+]1CCCCC1 ZINC000827647770 1292351788 /nfs/dbraw/zinc/35/17/88/1292351788.db2.gz XAGCPDMLSMUAGI-LJQANCHMSA-N 1 1 341.430 3.373 50 0 EGAAMO O=C(Nc1ccc2scnc2c1)[C@@H]1CCC[N@H+](C2CCOCC2)C1 ZINC000827733375 1292362587 /nfs/dbraw/zinc/36/25/87/1292362587.db2.gz XJSWQLQZAMUNAT-CYBMUJFWSA-N 1 1 345.468 3.126 50 0 EGAAMO Cc1cc(C(=O)N2CC[NH2+][C@H](c3ccccc3)C2)c2ccc(F)cc2n1 ZINC000082137153 1292678659 /nfs/dbraw/zinc/67/86/59/1292678659.db2.gz PMJWTPZGPRURMM-FQEVSTJZSA-N 1 1 349.409 3.469 50 0 EGAAMO c1ccc(C[N@H+]2CC[C@@H](Nc3nccc(-c4cccnc4)n3)C2)cc1 ZINC000096160466 1292948145 /nfs/dbraw/zinc/94/81/45/1292948145.db2.gz VANSHFHTUBYKOA-GOSISDBHSA-N 1 1 331.423 3.225 50 0 EGAAMO CC[N@@H+](Cc1ccc(-c2ccc3c(c2)C(=O)OC3)o1)[C@@H](C)CCO ZINC000952873723 1334584526 /nfs/dbraw/zinc/58/45/26/1334584526.db2.gz YYZFERIHBRBYEJ-ZDUSSCGKSA-N 1 1 329.396 3.210 50 0 EGAAMO Cc1c(NC(=O)C2CCCC2)cccc1NC(=O)[C@@]1(C)CC[N@H+](C)C1 ZINC000952874118 1334585296 /nfs/dbraw/zinc/58/52/96/1334585296.db2.gz WLMQUGOKEIPISE-FQEVSTJZSA-N 1 1 343.471 3.404 50 0 EGAAMO CN1C[C@@H]2C[C@H]([N@H+](C)Cc3c(Cl)cncc3Cl)C[C@@H]2CC1=O ZINC001704297388 1416432901 /nfs/dbraw/zinc/43/29/01/1416432901.db2.gz PJNJXEMQVHKUDD-GRYCIOLGSA-N 1 1 342.270 3.077 50 0 EGAAMO CN1C[C@@H]2C[C@H]([N@@H+](C)Cc3c(Cl)cncc3Cl)C[C@@H]2CC1=O ZINC001704297388 1416432903 /nfs/dbraw/zinc/43/29/03/1416432903.db2.gz PJNJXEMQVHKUDD-GRYCIOLGSA-N 1 1 342.270 3.077 50 0 EGAAMO O[C@H]1CCCN(c2cc[nH+]c(NCCCc3ccccc3Cl)n2)C1 ZINC001704297913 1416432988 /nfs/dbraw/zinc/43/29/88/1416432988.db2.gz ARNOETGJLZWXRQ-HNNXBMFYSA-N 1 1 346.862 3.136 50 0 EGAAMO CO[C@@H]1CCC[C@]12CCC[N@@H+](CC(=O)Nc1ccc(F)cc1C)C2 ZINC001704298264 1416433063 /nfs/dbraw/zinc/43/30/63/1416433063.db2.gz FZHWRMPKNYDLLR-IEBWSBKVSA-N 1 1 334.435 3.354 50 0 EGAAMO Nc1ncc2c(n1)[C@]1(CC2)CCC[N@@H+](Cc2cccc3cc[nH]c32)C1 ZINC001704303893 1416434475 /nfs/dbraw/zinc/43/44/75/1416434475.db2.gz DHHQAYOHQOZDCY-FQEVSTJZSA-N 1 1 333.439 3.020 50 0 EGAAMO Cc1nccn1CC[C@H]1CCCC[N@@H+]1CC(=O)N(C)c1ccccc1 ZINC001704350326 1416452661 /nfs/dbraw/zinc/45/26/61/1416452661.db2.gz IMLZLAMJSIADLJ-LJQANCHMSA-N 1 1 340.471 3.099 50 0 EGAAMO Cc1[nH]c2ccccc2c1C(=O)C(=O)NCCC[N@@H+]1CCCC[C@H]1C ZINC000004163819 210136862 /nfs/dbraw/zinc/13/68/62/210136862.db2.gz XCZDAVNKJFSTDQ-CQSZACIVSA-N 1 1 341.455 3.040 50 0 EGAAMO c1cnn(Cc2cccc(C[N@@H+]3CCO[C@@H](Cc4ccccc4)C3)c2)c1 ZINC000019792766 202020676 /nfs/dbraw/zinc/02/06/76/202020676.db2.gz LOJZIKHMLGUMEM-QFIPXVFZSA-N 1 1 347.462 3.375 50 0 EGAAMO c1cnn(Cc2cccc(C[N@H+]3CCO[C@@H](Cc4ccccc4)C3)c2)c1 ZINC000019792766 202020678 /nfs/dbraw/zinc/02/06/78/202020678.db2.gz LOJZIKHMLGUMEM-QFIPXVFZSA-N 1 1 347.462 3.375 50 0 EGAAMO COc1cccc(NC(=S)N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000019841155 202024436 /nfs/dbraw/zinc/02/44/36/202024436.db2.gz LQCBYQAQSZUBRW-UHFFFAOYSA-N 1 1 341.480 3.210 50 0 EGAAMO O=C1O[C@@H](N2CC[NH+](C/C=C/c3ccccc3)CC2)c2ccccc21 ZINC000019890324 202025129 /nfs/dbraw/zinc/02/51/29/202025129.db2.gz ZQLDYZHQNDUSEV-AQDCRGGLSA-N 1 1 334.419 3.187 50 0 EGAAMO C[NH+]1CCN(CC(=O)c2ccc(Sc3ccccc3)cc2)CC1 ZINC000019879024 202025794 /nfs/dbraw/zinc/02/57/94/202025794.db2.gz OUBKLCUHWIVYHG-UHFFFAOYSA-N 1 1 326.465 3.268 50 0 EGAAMO COc1ccc(C(=O)[C@@H]2CCC[N@@H+](CCCSC)C2)c(OC)c1 ZINC000020600327 202049884 /nfs/dbraw/zinc/04/98/84/202049884.db2.gz LYKLNUCFHJCHIB-CQSZACIVSA-N 1 1 337.485 3.352 50 0 EGAAMO Cc1ccc(C[N@@H+]2CCc3nnc(CCc4ccccc4)n3CC2)cc1 ZINC000020909512 202058322 /nfs/dbraw/zinc/05/83/22/202058322.db2.gz ZPPJFXOUANDWPC-UHFFFAOYSA-N 1 1 346.478 3.430 50 0 EGAAMO CCCc1ccc2oc(C(=O)NCCC[NH+]3CCOCC3)c(C)c2c1 ZINC000020919161 202058417 /nfs/dbraw/zinc/05/84/17/202058417.db2.gz AOQDRODZYPYLLO-UHFFFAOYSA-N 1 1 344.455 3.146 50 0 EGAAMO COc1ccc(CCN(C)[C@@H]2CCC[N@@H+](CC(C)C)C2)cc1OC ZINC000020998944 202060572 /nfs/dbraw/zinc/06/05/72/202060572.db2.gz QFFLUGVGLYTFMB-GOSISDBHSA-N 1 1 334.504 3.299 50 0 EGAAMO COc1ccc(CC[N@H+](C)[C@@H]2CCCN(CC(C)C)C2)cc1OC ZINC000020998944 202060574 /nfs/dbraw/zinc/06/05/74/202060574.db2.gz QFFLUGVGLYTFMB-GOSISDBHSA-N 1 1 334.504 3.299 50 0 EGAAMO COc1ccc(CC[N@@H+](C)[C@@H]2CCCN(CC(C)C)C2)cc1OC ZINC000020998944 202060576 /nfs/dbraw/zinc/06/05/76/202060576.db2.gz QFFLUGVGLYTFMB-GOSISDBHSA-N 1 1 334.504 3.299 50 0 EGAAMO CSc1ccc(C(=O)c2cccc(CN3CC[NH+](C)CC3)c2)cc1 ZINC000022028000 202077071 /nfs/dbraw/zinc/07/70/71/202077071.db2.gz QSCWFDOOMORMQV-UHFFFAOYSA-N 1 1 340.492 3.387 50 0 EGAAMO OCC[C@@H]1CN(Cc2cccc(Cl)c2)CC[N@H+]1Cc1ccccc1 ZINC000023374441 202102633 /nfs/dbraw/zinc/10/26/33/202102633.db2.gz WUABWHBBIZGQRS-HXUWFJFHSA-N 1 1 344.886 3.409 50 0 EGAAMO CC(C)c1csc(C[NH2+][C@H]2CC(=O)N(Cc3cccc(F)c3)C2)n1 ZINC000023505189 202104670 /nfs/dbraw/zinc/10/46/70/202104670.db2.gz CIFAMWCFTUSXRR-HNNXBMFYSA-N 1 1 347.459 3.296 50 0 EGAAMO COc1ccccc1[C@H](CNC(=O)c1ccccc1Cl)[NH+](C)C ZINC000023713736 202108836 /nfs/dbraw/zinc/10/88/36/202108836.db2.gz DQBILIVSDSIHLI-INIZCTEOSA-N 1 1 332.831 3.381 50 0 EGAAMO CC(C)C[N@H+]1CCN(Cc2c(F)cccc2Cl)C[C@H]1CCO ZINC000036385637 201079953 /nfs/dbraw/zinc/07/99/53/201079953.db2.gz ZDHOQMNDHRSERR-CQSZACIVSA-N 1 1 328.859 3.004 50 0 EGAAMO COc1ccc(C[N@@H+](C)Cc2ncccc2C)cc1Cn1cccn1 ZINC000215838604 241149339 /nfs/dbraw/zinc/14/93/39/241149339.db2.gz CTOLZDIZXJUQKT-UHFFFAOYSA-N 1 1 336.439 3.275 50 0 EGAAMO Cc1cccc(-c2ncc(C[N@H+](C)CCCc3nccn3C)cn2)c1 ZINC000215435024 241126986 /nfs/dbraw/zinc/12/69/86/241126986.db2.gz MYASMNUFBSSPDF-UHFFFAOYSA-N 1 1 335.455 3.250 50 0 EGAAMO Cc1ncsc1CC[N@@H+](C)Cc1nnc(-c2cccc(F)c2)o1 ZINC000244633097 243048328 /nfs/dbraw/zinc/04/83/28/243048328.db2.gz FWMFYDWSGCYJQS-UHFFFAOYSA-N 1 1 332.404 3.315 50 0 EGAAMO Cc1ncsc1CC[N@H+](C)Cc1nnc(-c2cccc(F)c2)o1 ZINC000244633097 243048334 /nfs/dbraw/zinc/04/83/34/243048334.db2.gz FWMFYDWSGCYJQS-UHFFFAOYSA-N 1 1 332.404 3.315 50 0 EGAAMO Cc1csc(C[NH+]2CCC(c3nnc4n3CCCCC4)CC2)n1 ZINC000244764166 243077372 /nfs/dbraw/zinc/07/73/72/243077372.db2.gz PCLUVUCORDXMLF-UHFFFAOYSA-N 1 1 331.489 3.149 50 0 EGAAMO CCc1ccc(C[N@H+]2CCC(=O)N(CC3CC3)[C@H](C(C)C)C2)nc1 ZINC000071662628 203102527 /nfs/dbraw/zinc/10/25/27/203102527.db2.gz CFFMGWXMQAJASE-IBGZPJMESA-N 1 1 329.488 3.113 50 0 EGAAMO CC(C)[C@@H]1CN(C(=O)c2n[nH]c3ccccc32)CCC[N@H+]1CC1CC1 ZINC000071746101 203104758 /nfs/dbraw/zinc/10/47/58/203104758.db2.gz ZQOBJCWGHVQSPA-SFHVURJKSA-N 1 1 340.471 3.145 50 0 EGAAMO CC(C)[C@@H]1CN(C(=O)c2[nH]nc3ccccc32)CCC[N@@H+]1CC1CC1 ZINC000071746101 203104760 /nfs/dbraw/zinc/10/47/60/203104760.db2.gz ZQOBJCWGHVQSPA-SFHVURJKSA-N 1 1 340.471 3.145 50 0 EGAAMO CC(C)[C@@H]1CN(C(=O)c2[nH]nc3ccccc32)CCC[N@H+]1CC1CC1 ZINC000071746101 203104764 /nfs/dbraw/zinc/10/47/64/203104764.db2.gz ZQOBJCWGHVQSPA-SFHVURJKSA-N 1 1 340.471 3.145 50 0 EGAAMO CCn1cc(Cn2cc[nH+]c2[C@H](C)Cc2ccc3c(c2)OCO3)cn1 ZINC000071714869 203104843 /nfs/dbraw/zinc/10/48/43/203104843.db2.gz RPLPKWSAZRVDAJ-CQSZACIVSA-N 1 1 338.411 3.223 50 0 EGAAMO c1cc(C[N@H+]2C[C@H]3[C@@H](C2)C2CCC3CC2)cc(N2CCOCC2)c1 ZINC000071753256 203108126 /nfs/dbraw/zinc/10/81/26/203108126.db2.gz UACBYVFGNKZUDD-DJOMHXKUSA-N 1 1 326.484 3.391 50 0 EGAAMO Cc1nccn1C[C@H]1CCC[N@@H+](Cc2cc3c(cc2Cl)OCO3)C1 ZINC000072135610 203168335 /nfs/dbraw/zinc/16/83/35/203168335.db2.gz AJXRWAXTEROYTB-AWEZNQCLSA-N 1 1 347.846 3.486 50 0 EGAAMO Cc1ccc([C@H]2C[N@@H+](CCCCCCO)[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000072145503 203169419 /nfs/dbraw/zinc/16/94/19/203169419.db2.gz IFGKURNVYUSWCX-YPAWHYETSA-N 1 1 342.527 3.410 50 0 EGAAMO Fc1ccc([C@@H]2CCC[N@H+]2Cc2cnc(N3CCOCC3)s2)cc1 ZINC000072146176 203169882 /nfs/dbraw/zinc/16/98/82/203169882.db2.gz YBPOXRHYWYPEND-KRWDZBQOSA-N 1 1 347.459 3.456 50 0 EGAAMO Fc1ccc([C@H]2C[N@@H+](Cc3ccncc3)[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000072157144 203175662 /nfs/dbraw/zinc/17/56/62/203175662.db2.gz RITQYHNDYBGFJR-NJDAHSKKSA-N 1 1 337.442 3.283 50 0 EGAAMO Fc1ccc([C@H]2CN(Cc3ccncc3)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000072157144 203175664 /nfs/dbraw/zinc/17/56/64/203175664.db2.gz RITQYHNDYBGFJR-NJDAHSKKSA-N 1 1 337.442 3.283 50 0 EGAAMO O[C@H]1CCC[N@@H+](CCCn2ccnc2-c2cc3ccccc3o2)C1 ZINC000072162988 203177053 /nfs/dbraw/zinc/17/70/53/203177053.db2.gz JVHHKNURLDJCJS-INIZCTEOSA-N 1 1 325.412 3.143 50 0 EGAAMO c1cc(-c2ccc(C[N@@H+]3CCC[C@@H](OCc4cccnc4)C3)o2)n[nH]1 ZINC000072166265 203178750 /nfs/dbraw/zinc/17/87/50/203178750.db2.gz HCBZFOTUWIMIDR-MRXNPFEDSA-N 1 1 338.411 3.246 50 0 EGAAMO C[NH+](C)C1(c2nc(-c3ccc4[nH]cnc4c3)no2)Cc2ccccc2C1 ZINC000072171577 203181699 /nfs/dbraw/zinc/18/16/99/203181699.db2.gz YLACYZAHRDDRPH-UHFFFAOYSA-N 1 1 345.406 3.169 50 0 EGAAMO O=C(c1ccc(O)cc1)N1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC000072454098 203227154 /nfs/dbraw/zinc/22/71/54/203227154.db2.gz NRKNRMGMFVXEDC-UHFFFAOYSA-N 1 1 336.435 3.055 50 0 EGAAMO Cc1cccc([C@@H]2CCC[N@@H+](Cc3cccc(OCC(N)=O)c3)C2)c1 ZINC000072480763 203233419 /nfs/dbraw/zinc/23/34/19/203233419.db2.gz CGFPHRQHCVGONM-LJQANCHMSA-N 1 1 338.451 3.239 50 0 EGAAMO Cc1cc(N2CCN(Cc3cc(C(C)(C)C)[nH]n3)CC2)cc(C)[nH+]1 ZINC000072406944 203216204 /nfs/dbraw/zinc/21/62/04/203216204.db2.gz CTQUNCUVPYAWBP-UHFFFAOYSA-N 1 1 327.476 3.041 50 0 EGAAMO COC(=O)CCn1cc(C[N@H+]2CCC[C@H](c3ccccc3C)C2)cn1 ZINC000072419105 203218863 /nfs/dbraw/zinc/21/88/63/203218863.db2.gz ADKLMQMDXNYNBZ-SFHVURJKSA-N 1 1 341.455 3.134 50 0 EGAAMO CC(C)C[N@H+]1CCN(c2ccnc3cc(Cl)ccc32)C[C@@H]1CCO ZINC000072419398 203219077 /nfs/dbraw/zinc/21/90/77/203219077.db2.gz NTBJEYDUWFPKSP-INIZCTEOSA-N 1 1 347.890 3.417 50 0 EGAAMO CC(C)c1nccc(CN2CCC[N@@H+](Cc3cccs3)CC2)n1 ZINC000072425907 203221591 /nfs/dbraw/zinc/22/15/91/203221591.db2.gz PMLGAYPCWKJMBW-UHFFFAOYSA-N 1 1 330.501 3.369 50 0 EGAAMO Cc1cc2c(ncnc2N2CCC[C@@H](Cn3cc[nH+]c3C)C2)s1 ZINC000077338082 203381348 /nfs/dbraw/zinc/38/13/48/203381348.db2.gz SELNSWNCKVLMCG-AWEZNQCLSA-N 1 1 327.457 3.421 50 0 EGAAMO C[N@H+]1CC[C@H]2CN(Cc3ccc(OCCc4ccccc4)cc3)C[C@H]21 ZINC000077394463 203385638 /nfs/dbraw/zinc/38/56/38/203385638.db2.gz BIBADBOKNVPCQJ-RBBKRZOGSA-N 1 1 336.479 3.444 50 0 EGAAMO CN1CC[C@H]2C[N@H+](Cc3ccc(OCCc4ccccc4)cc3)C[C@H]21 ZINC000077394463 203385641 /nfs/dbraw/zinc/38/56/41/203385641.db2.gz BIBADBOKNVPCQJ-RBBKRZOGSA-N 1 1 336.479 3.444 50 0 EGAAMO CN1CC[C@H]2C[N@@H+](Cc3ccc(OCCc4ccccc4)cc3)C[C@H]21 ZINC000077394463 203385644 /nfs/dbraw/zinc/38/56/44/203385644.db2.gz BIBADBOKNVPCQJ-RBBKRZOGSA-N 1 1 336.479 3.444 50 0 EGAAMO Cc1[nH+]ccn1CCCC(=O)N1CCC(Oc2ccc(C)cc2)CC1 ZINC000082134495 203497399 /nfs/dbraw/zinc/49/73/99/203497399.db2.gz XKWPQPPYOGANDH-UHFFFAOYSA-N 1 1 341.455 3.350 50 0 EGAAMO CCc1c[nH+]c(N)nc1N1CCC[C@H](C(=O)c2sccc2C)C1 ZINC000095377095 203722568 /nfs/dbraw/zinc/72/25/68/203722568.db2.gz ZYDZXYJMXPITBL-ZDUSSCGKSA-N 1 1 330.457 3.090 50 0 EGAAMO CC(C)c1[nH+]ccn1[C@H](C)C(=O)N1CCc2[nH]nc(C3CCC3)c2C1 ZINC000095502324 203750705 /nfs/dbraw/zinc/75/07/05/203750705.db2.gz TVUUTDONVWQNPQ-CYBMUJFWSA-N 1 1 341.459 3.143 50 0 EGAAMO CC1=C(CC[N@@H+]2CCN(C)[C@@]3(C2)CCNC(=O)CC3)C(C)(C)CCC1 ZINC000108001807 204252773 /nfs/dbraw/zinc/25/27/73/204252773.db2.gz SQVRVMPYGJXDHR-OAQYLSRUSA-N 1 1 347.547 3.189 50 0 EGAAMO CC(C)Cc1cc(C(=O)NC[C@@H]2CCC[N@@H+](Cc3ccco3)C2)on1 ZINC000091426039 218004311 /nfs/dbraw/zinc/00/43/11/218004311.db2.gz GYKVBTADYWOWMY-HNNXBMFYSA-N 1 1 345.443 3.108 50 0 EGAAMO Cc1cccc(C[N@H+]2CC[C@@]3(C2)CCCN(CC(C)(C)C)C3=O)n1 ZINC000011821205 211251850 /nfs/dbraw/zinc/25/18/50/211251850.db2.gz HLTXVFBHMVCYPX-HXUWFJFHSA-N 1 1 329.488 3.251 50 0 EGAAMO CN(C(=O)c1ccoc1)[C@H]1CCC[N@@H+](CCCc2ccccc2)C1 ZINC000011661676 211229485 /nfs/dbraw/zinc/22/94/85/211229485.db2.gz QJOBXZZNOUCNEY-IBGZPJMESA-N 1 1 326.440 3.449 50 0 EGAAMO CO[C@]12CC[N@@H+](Cc3scnc3C)[C@H]1C[C@@H](OCC1CC1)CC2 ZINC000299802280 258105393 /nfs/dbraw/zinc/10/53/93/258105393.db2.gz YRBLMQGJHPTYCH-RYQLBKOJSA-N 1 1 336.501 3.390 50 0 EGAAMO CN(C)c1ccc(CC(=O)NC[C@@H]2CC[N@H+](C3CCCCC3)C2)cc1 ZINC000299755644 258074448 /nfs/dbraw/zinc/07/44/48/258074448.db2.gz BGCONSPIQGPHOO-SFHVURJKSA-N 1 1 343.515 3.066 50 0 EGAAMO CO[C@]12CC[N@@H+](Cc3[nH]c4c(cccc4C)c3C)[C@H]1C[C@H](O)CC2 ZINC000299757238 258075349 /nfs/dbraw/zinc/07/53/49/258075349.db2.gz JYOCELGOPGTBNR-MOXGXCLJSA-N 1 1 328.456 3.289 50 0 EGAAMO C[C@@H](C(=O)Nc1cccc(-n2cccn2)c1)[N@@H+]1CCc2ccccc2C1 ZINC000346545247 164394240 /nfs/dbraw/zinc/39/42/40/164394240.db2.gz NQMYFSFTQGBNBX-INIZCTEOSA-N 1 1 346.434 3.258 50 0 EGAAMO C[C@@H](C(=O)Nc1cccc(-n2cccn2)c1)[N@H+]1CCc2ccccc2C1 ZINC000346545247 164394241 /nfs/dbraw/zinc/39/42/41/164394241.db2.gz NQMYFSFTQGBNBX-INIZCTEOSA-N 1 1 346.434 3.258 50 0 EGAAMO Cc1cccc(C(=O)N2C[C@H]3CC[C@@H]2C[N@@H+](Cc2ccccn2)C3)c1 ZINC000095358883 281193075 /nfs/dbraw/zinc/19/30/75/281193075.db2.gz NPZONGPHWDBHND-FXAWDEMLSA-N 1 1 335.451 3.127 50 0 EGAAMO Cc1cccc(NC(=O)CC[N@H+]2CC[C@](O)(c3ccccc3)C2)c1C ZINC000240163610 455263518 /nfs/dbraw/zinc/26/35/18/455263518.db2.gz JCHPOFGACBGXFO-OAQYLSRUSA-N 1 1 338.451 3.226 50 0 EGAAMO COc1ccc(F)c(-c2nc(CN3CC[N@H+]4CCC[C@H]4C3)c(C)o2)c1 ZINC000244678479 455276034 /nfs/dbraw/zinc/27/60/34/455276034.db2.gz IEDGQIFOJDXIGD-AWEZNQCLSA-N 1 1 345.418 3.078 50 0 EGAAMO COc1c[nH]c(C[N@H+](C)Cc2ccccc2C(F)(F)F)cc1=O ZINC000244795107 455277080 /nfs/dbraw/zinc/27/70/80/455277080.db2.gz QZPVIIJBLDILJX-UHFFFAOYSA-N 1 1 326.318 3.447 50 0 EGAAMO COc1c[nH]c(C[N@@H+](C)Cc2ccccc2C(F)(F)F)cc1=O ZINC000244795107 455277081 /nfs/dbraw/zinc/27/70/81/455277081.db2.gz QZPVIIJBLDILJX-UHFFFAOYSA-N 1 1 326.318 3.447 50 0 EGAAMO COc1ccccc1NC(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000000146028 452521495 /nfs/dbraw/zinc/52/14/95/452521495.db2.gz RSJAMYIOKCRAOH-UHFFFAOYSA-N 1 1 339.439 3.087 50 0 EGAAMO O=C(C1CCC1)N1CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC000000171614 452527162 /nfs/dbraw/zinc/52/71/62/452527162.db2.gz LQMPHJLROVSMNQ-UHFFFAOYSA-N 1 1 329.831 3.337 50 0 EGAAMO CCN(CC)C(=O)[C@@H]1CCC[N@H+](Cc2ccc(Br)o2)C1 ZINC000000202301 452532759 /nfs/dbraw/zinc/53/27/59/452532759.db2.gz KYLZWNWRFKJPRX-GFCCVEGCSA-N 1 1 343.265 3.123 50 0 EGAAMO CCN(CC)C(=O)[C@@H]1CCC[N@@H+](Cc2ccc(Br)o2)C1 ZINC000000202301 452532766 /nfs/dbraw/zinc/53/27/66/452532766.db2.gz KYLZWNWRFKJPRX-GFCCVEGCSA-N 1 1 343.265 3.123 50 0 EGAAMO O[C@H](COCc1ccc(Cl)cc1)C[N@H+]1CCc2ccccc2C1 ZINC000000448359 452595600 /nfs/dbraw/zinc/59/56/00/452595600.db2.gz XFPRVFPKQLFJBJ-IBGZPJMESA-N 1 1 331.843 3.276 50 0 EGAAMO CC(C)[C@H]([NH3+])c1nnc(SCC(=O)c2ccc(Cl)cc2)o1 ZINC000002235911 452690009 /nfs/dbraw/zinc/69/00/09/452690009.db2.gz PTAPTYOTVLABBY-LBPRGKRZSA-N 1 1 325.821 3.354 50 0 EGAAMO C[NH2+][C@H](c1cc2ccccc2[nH]1)c1nnnn1-c1ccc(Cl)cc1 ZINC000006667855 452966952 /nfs/dbraw/zinc/96/69/52/452966952.db2.gz ZEJYLLOHTVSBTK-MRXNPFEDSA-N 1 1 338.802 3.106 50 0 EGAAMO CCOC(=O)[C@@H]1CCC[N@@H+](CCCCOc2ccccc2OC)C1 ZINC000006701279 452971894 /nfs/dbraw/zinc/97/18/94/452971894.db2.gz YGMAVTIVYJHKGI-MRXNPFEDSA-N 1 1 335.444 3.129 50 0 EGAAMO Cc1cccc(O[C@H](C)C(=O)NC[C@@H](c2ccco2)[NH+](C)C)c1C ZINC000009486350 453255773 /nfs/dbraw/zinc/25/57/73/453255773.db2.gz YPDXPOBFBINYLX-CVEARBPZSA-N 1 1 330.428 3.083 50 0 EGAAMO CCOC(=O)[C@@]1(Cc2ccccc2)CCC[N@@H+](Cc2ccncc2)C1 ZINC000011665454 453328367 /nfs/dbraw/zinc/32/83/67/453328367.db2.gz UAHLWUCQZFMPGH-OAQYLSRUSA-N 1 1 338.451 3.470 50 0 EGAAMO CSC[C@H](C)[N@H+]1CCc2onc(-c3ccc4c(c3)OCO4)c2C1 ZINC000012750595 453399529 /nfs/dbraw/zinc/39/95/29/453399529.db2.gz GAINHCCEARAJRU-NSHDSACASA-N 1 1 332.425 3.180 50 0 EGAAMO Cc1cccc(C(=O)NCCC[N@@H+]2CCO[C@@H](c3ccccc3)C2)c1 ZINC000036700008 453929136 /nfs/dbraw/zinc/92/91/36/453929136.db2.gz MRQZPSIWHOUZIK-HXUWFJFHSA-N 1 1 338.451 3.188 50 0 EGAAMO Cc1cccc(C(=O)NCCC[N@H+]2CCO[C@@H](c3ccccc3)C2)c1 ZINC000036700008 453929138 /nfs/dbraw/zinc/92/91/38/453929138.db2.gz MRQZPSIWHOUZIK-HXUWFJFHSA-N 1 1 338.451 3.188 50 0 EGAAMO Cc1ccccc1[C@@H]1CC[N@@H+](CCn2cc(-c3cccc(O)c3)nn2)C1 ZINC000067674691 453954829 /nfs/dbraw/zinc/95/48/29/453954829.db2.gz GRIKNCHYOPMBIQ-GOSISDBHSA-N 1 1 348.450 3.449 50 0 EGAAMO C[C@H](O)C[N@H+]1CCc2[nH]nc(C(c3ccccc3)c3ccccc3)c2C1 ZINC000067689144 453957744 /nfs/dbraw/zinc/95/77/44/453957744.db2.gz QUWGSVZPNRWJCR-INIZCTEOSA-N 1 1 347.462 3.329 50 0 EGAAMO C[C@H](O)C[N@@H+]1CCc2n[nH]c(C(c3ccccc3)c3ccccc3)c2C1 ZINC000067689144 453957752 /nfs/dbraw/zinc/95/77/52/453957752.db2.gz QUWGSVZPNRWJCR-INIZCTEOSA-N 1 1 347.462 3.329 50 0 EGAAMO C[C@H](O)C[N@H+]1CCc2n[nH]c(C(c3ccccc3)c3ccccc3)c2C1 ZINC000067689144 453957754 /nfs/dbraw/zinc/95/77/54/453957754.db2.gz QUWGSVZPNRWJCR-INIZCTEOSA-N 1 1 347.462 3.329 50 0 EGAAMO Cc1cccc(-c2nc(C[NH+]3CCC4(CC3)OCCO4)cs2)c1 ZINC000055069674 453959728 /nfs/dbraw/zinc/95/97/28/453959728.db2.gz AEQUUHHYEUREMR-UHFFFAOYSA-N 1 1 330.453 3.457 50 0 EGAAMO CC[C@H](CO)[N@@H+](Cc1ccco1)Cc1ccc(-n2cccn2)cc1 ZINC000055212077 453970083 /nfs/dbraw/zinc/97/00/83/453970083.db2.gz NIVZODQEBNWBBE-QGZVFWFLSA-N 1 1 325.412 3.238 50 0 EGAAMO Fc1cccc(CN2CC[NH+](Cc3ccc(-c4cc[nH]n4)o3)CC2)c1 ZINC000055253816 453972308 /nfs/dbraw/zinc/97/23/08/453972308.db2.gz VGPWMLLHWSLLTE-UHFFFAOYSA-N 1 1 340.402 3.127 50 0 EGAAMO C/C(=C\c1ccco1)C[N@H+]1CC[C@H](CNC(=O)c2occc2C)C1 ZINC000067851167 453972754 /nfs/dbraw/zinc/97/27/54/453972754.db2.gz IKOXRFXTEVTEDE-HFQYIWAZSA-N 1 1 328.412 3.336 50 0 EGAAMO CCc1ccc(C[N@H+]2CC[C@@H](CNC(=O)c3cccc(C)c3)C2)nc1 ZINC000067856300 453973112 /nfs/dbraw/zinc/97/31/12/453973112.db2.gz FYMZNPKURWOVKQ-SFHVURJKSA-N 1 1 337.467 3.204 50 0 EGAAMO CCn1cc(C[N@H+](Cc2ccc3c(c2)OCCO3)CC(C)C)cn1 ZINC000055404617 453982303 /nfs/dbraw/zinc/98/23/03/453982303.db2.gz WHULETMKZJTQFD-UHFFFAOYSA-N 1 1 329.444 3.332 50 0 EGAAMO CCOc1ccc(C[N@@H+](Cc2c(C)nn(C)c2C)C(C)C)cc1CO ZINC000055414056 453983970 /nfs/dbraw/zinc/98/39/70/453983970.db2.gz NPUGEPUXLLAEFZ-UHFFFAOYSA-N 1 1 345.487 3.339 50 0 EGAAMO CCCc1ncc(C[N@H+]2CC[C@H](c3cc(OC)ccc3OC)C2)cn1 ZINC000077555346 454122082 /nfs/dbraw/zinc/12/20/82/454122082.db2.gz ZTXKOLHSRIYNJG-INIZCTEOSA-N 1 1 341.455 3.436 50 0 EGAAMO CCCCn1ccnc1[C@H]1CCC[N@@H+](Cc2ccc(C(N)=O)cc2)C1 ZINC000095372684 454198413 /nfs/dbraw/zinc/19/84/13/454198413.db2.gz OIAHYJVUGNDPIE-SFHVURJKSA-N 1 1 340.471 3.162 50 0 EGAAMO Cc1ncsc1CCN(C)C(=O)[C@H](c1ccc(C)cc1)[NH+](C)C ZINC000095377829 454198536 /nfs/dbraw/zinc/19/85/36/454198536.db2.gz QJLOXFDVCCUGOR-KRWDZBQOSA-N 1 1 331.485 3.064 50 0 EGAAMO C[C@@H](O)c1cccc(N2CC[NH+](Cc3cccc(Cl)c3)CC2)n1 ZINC000095388626 454200824 /nfs/dbraw/zinc/20/08/24/454200824.db2.gz CTBVCIMGGKBMAF-CQSZACIVSA-N 1 1 331.847 3.111 50 0 EGAAMO Cc1nc(CCCNC(=O)[C@H](C)n2cc[nH+]c2C(C)C)sc1C ZINC000095511157 454225349 /nfs/dbraw/zinc/22/53/49/454225349.db2.gz RBXFPBHYTHVWOO-ZDUSSCGKSA-N 1 1 334.489 3.390 50 0 EGAAMO Cc1nn(C)c2nc(N[C@@H]3CC[N@@H+](Cc4ccccc4)C3)sc12 ZINC000095527889 454229080 /nfs/dbraw/zinc/22/90/80/454229080.db2.gz QXVDXLAWFZJDLB-CQSZACIVSA-N 1 1 327.457 3.025 50 0 EGAAMO CC[N@H+]1CCCC[C@H]1C(=O)NCc1cc(C(F)(F)F)ccc1F ZINC000097213117 454424939 /nfs/dbraw/zinc/42/49/39/454424939.db2.gz UPXZHGRYVMVADO-AWEZNQCLSA-N 1 1 332.341 3.335 50 0 EGAAMO COc1cc2c(cc1C[N@H+]1CCC[C@@H](Cn3ccnc3)C1)CCC2 ZINC000097346702 454432318 /nfs/dbraw/zinc/43/23/18/454432318.db2.gz LCQXXMGDKUDYNA-MRXNPFEDSA-N 1 1 325.456 3.293 50 0 EGAAMO O=C1OCC2(CC[NH+](Cc3nc(-c4ccccc4)cs3)CC2)O1 ZINC000097602624 454441869 /nfs/dbraw/zinc/44/18/69/454441869.db2.gz RFBCTIXPDDBZPU-UHFFFAOYSA-N 1 1 330.409 3.312 50 0 EGAAMO CC(C)=CCN1CC2(CC1=O)CC[NH+](Cc1csc(C)n1)CC2 ZINC000091643986 454454189 /nfs/dbraw/zinc/45/41/89/454454189.db2.gz CUSCPZHLOIBVIG-UHFFFAOYSA-N 1 1 333.501 3.232 50 0 EGAAMO c1nc(CN2C[C@H]3CC[C@H](C[N@@H+]3CCc3ccccc3)C2)cs1 ZINC000091678921 454456936 /nfs/dbraw/zinc/45/69/36/454456936.db2.gz YPRZVEQGCMPNDT-PKOBYXMFSA-N 1 1 327.497 3.282 50 0 EGAAMO CC(C)=CC[N@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1ccc3[nH]cnc3c1)C2 ZINC000091932606 454491338 /nfs/dbraw/zinc/49/13/38/454491338.db2.gz RTPMEVYKICHGCG-NVXWUHKLSA-N 1 1 338.455 3.066 50 0 EGAAMO CC[C@]1(CO)CCC[N@@H+](Cc2ccc3c4c2cccc4C(=O)OC3)C1 ZINC000092021871 454503810 /nfs/dbraw/zinc/50/38/10/454503810.db2.gz ZKYRCPXCFDNPMA-NRFANRHFSA-N 1 1 339.435 3.495 50 0 EGAAMO Cc1ccc(F)cc1C[N@H+]1C[C@H]2CC[C@@H](C1)C(=O)N2CC1CCC1 ZINC000092046445 454508803 /nfs/dbraw/zinc/50/88/03/454508803.db2.gz GVPRDBZABVACTQ-QFBILLFUSA-N 1 1 330.447 3.357 50 0 EGAAMO CC(C)=CC[C@@]1(CO)CCC[N@@H+](Cc2cnn3c2nc(C)cc3C)C1 ZINC000092077957 454517378 /nfs/dbraw/zinc/51/73/78/454517378.db2.gz UFDTUWWKIUMCIN-FQEVSTJZSA-N 1 1 342.487 3.277 50 0 EGAAMO O=C(CCc1ccccn1)N[C@H]1C[N@H+](C2CCCCC2)C[C@@H]1C1CC1 ZINC000092078305 454517857 /nfs/dbraw/zinc/51/78/57/454517857.db2.gz CCQWUEKAMPPRSW-UXHICEINSA-N 1 1 341.499 3.174 50 0 EGAAMO COc1ccccc1OCC[N@H+]1CCC[C@H](Cc2cccnc2)C1 ZINC000065393594 454559006 /nfs/dbraw/zinc/55/90/06/454559006.db2.gz AMSDLFBOFSAXEC-GOSISDBHSA-N 1 1 326.440 3.424 50 0 EGAAMO COc1ccc(C[N@H+]2CCC=C([C@H]3CCCCN3C(C)=O)C2)cc1 ZINC000065395635 454559160 /nfs/dbraw/zinc/55/91/60/454559160.db2.gz PRQPRVMXHIWJHX-HXUWFJFHSA-N 1 1 328.456 3.228 50 0 EGAAMO Cc1cc(C[NH+]2CCC(C)CC2)c(C)c([C@@H]2NCCc3nc[nH]c32)c1 ZINC000065397283 454560054 /nfs/dbraw/zinc/56/00/54/454560054.db2.gz NEEXSKXZZIKUNV-FQEVSTJZSA-N 1 1 338.499 3.494 50 0 EGAAMO COc1ccc(OCC[N@@H+]2CCC[C@@H]2c2nc(C(C)C)no2)cc1 ZINC000065408311 454561654 /nfs/dbraw/zinc/56/16/54/454561654.db2.gz QTMPWCKJBNIOFQ-MRXNPFEDSA-N 1 1 331.416 3.418 50 0 EGAAMO COc1ccc(OCC[N@H+]2CCC[C@@H]2c2nc(C(C)C)no2)cc1 ZINC000065408311 454561660 /nfs/dbraw/zinc/56/16/60/454561660.db2.gz QTMPWCKJBNIOFQ-MRXNPFEDSA-N 1 1 331.416 3.418 50 0 EGAAMO CCCc1cnc(N2CC[NH+](Cc3ccn(C(C)C)c3)CC2)nc1 ZINC000065409234 454561997 /nfs/dbraw/zinc/56/19/97/454561997.db2.gz VEQNDKFKHXTJFV-UHFFFAOYSA-N 1 1 327.476 3.134 50 0 EGAAMO Cc1ccc(CN2CC[N@@H+](Cc3ccccc3C)C[C@H]2CCO)cc1 ZINC000104391487 454583829 /nfs/dbraw/zinc/58/38/29/454583829.db2.gz IKPVCHAWBCVGGP-JOCHJYFZSA-N 1 1 338.495 3.372 50 0 EGAAMO Cc1ccc(C[N@H+]2CCN(Cc3ccccc3C)C[C@H]2CCO)cc1 ZINC000104391487 454583835 /nfs/dbraw/zinc/58/38/35/454583835.db2.gz IKPVCHAWBCVGGP-JOCHJYFZSA-N 1 1 338.495 3.372 50 0 EGAAMO CCOc1ccc(Br)c([C@]2(O)C[C@H](C)[N@@H+](C)C[C@H]2C)c1 ZINC000245255685 455281853 /nfs/dbraw/zinc/28/18/53/455281853.db2.gz KTZNNKANCYRNTA-WQGACYEGSA-N 1 1 342.277 3.396 50 0 EGAAMO c1c(C[NH+]2CC(c3nc4ccccc4[nH]3)C2)onc1-c1ccncc1 ZINC000252504202 455816561 /nfs/dbraw/zinc/81/65/61/455816561.db2.gz VIDPVEGWDJAPCS-UHFFFAOYSA-N 1 1 331.379 3.212 50 0 EGAAMO Cc1ncsc1CCC(=O)N1CCC[C@@H]2C[N@@H+](CC(C)C)CC[C@@H]21 ZINC000299770378 456781190 /nfs/dbraw/zinc/78/11/90/456781190.db2.gz QTRVFVHISCUXJR-SJORKVTESA-N 1 1 349.544 3.353 50 0 EGAAMO CCOc1cccc(CN(CC)C(=O)NCC[C@@H]2CCC[N@H+]2C)c1 ZINC000426406053 457822475 /nfs/dbraw/zinc/82/24/75/457822475.db2.gz HZQFOVYJBHMOJL-KRWDZBQOSA-N 1 1 333.476 3.101 50 0 EGAAMO CO[C@]12CC[N@@H+](Cc3nccn3C(C)C)[C@H]1C[C@@H](OCC1CC1)CC2 ZINC000426545448 457852217 /nfs/dbraw/zinc/85/22/17/457852217.db2.gz RRDYBKMJFOLIDB-CMKODMSKSA-N 1 1 347.503 3.403 50 0 EGAAMO CCc1oc2ccccc2c1C[N@H+]1CC[C@]2(OC)CC[C@H](O)C[C@H]12 ZINC000426596671 457860640 /nfs/dbraw/zinc/86/06/40/457860640.db2.gz WTRSQDZDUKFAPJ-PNHOKKKMSA-N 1 1 329.440 3.500 50 0 EGAAMO Cc1nn(C)c(C)c1CNc1c[nH+]c2c(Br)cccn12 ZINC000685942618 550456297 /nfs/dbraw/zinc/45/62/97/550456297.db2.gz YRTJBRAZPUTRKA-UHFFFAOYSA-N 1 1 334.221 3.059 50 0 EGAAMO Cc1cc(C)c(C[N@@H+]2CCc3nnc([C@@H]4CCCO4)n3CC2)cc1C ZINC000023153500 1291231368 /nfs/dbraw/zinc/23/13/68/1291231368.db2.gz VKURACVBYLDPHM-SFHVURJKSA-N 1 1 340.471 3.113 50 0 EGAAMO Cc1[nH+]ccn1Cc1ccccc1NC(=O)c1ccn(C(F)F)n1 ZINC000825722866 1320358284 /nfs/dbraw/zinc/35/82/84/1320358284.db2.gz SOEFBMICLWIMRI-UHFFFAOYSA-N 1 1 331.326 3.084 50 0 EGAAMO Cc1nc(C2CC[NH+](CCCCOCc3ccccc3)CC2)n[nH]1 ZINC000825261506 1320321856 /nfs/dbraw/zinc/32/18/56/1320321856.db2.gz AMDYNCPVOSJYAE-UHFFFAOYSA-N 1 1 328.460 3.290 50 0 EGAAMO Cc1nnc(C2CC[NH+](CCCCOCc3ccccc3)CC2)[nH]1 ZINC000825261506 1320321861 /nfs/dbraw/zinc/32/18/61/1320321861.db2.gz AMDYNCPVOSJYAE-UHFFFAOYSA-N 1 1 328.460 3.290 50 0 EGAAMO NC(=O)CC[C@H]1CCC[N@@H+](Cc2cc3ccc(Cl)cc3[nH]c2=O)C1 ZINC000952967168 1334626258 /nfs/dbraw/zinc/62/62/58/1334626258.db2.gz AAOOGQNZUJQNHK-GFCCVEGCSA-N 1 1 347.846 3.071 50 0 EGAAMO COc1ncc(C[N@H+]2CCCC[C@H]2CCc2cccc(O)c2)cn1 ZINC000952975637 1334628709 /nfs/dbraw/zinc/62/87/09/1334628709.db2.gz YADOBTSXLDDCSA-KRWDZBQOSA-N 1 1 327.428 3.178 50 0 EGAAMO C[C@@H](c1ccc2c(c1)OCCO2)[N@@H+](C)Cc1cccc2nonc21 ZINC000952978907 1334629259 /nfs/dbraw/zinc/62/92/59/1334629259.db2.gz SLBFTWLAKOZOLE-LBPRGKRZSA-N 1 1 325.368 3.187 50 0 EGAAMO COc1ccc2cc(CNCCC[N@@H+]3CCCC[C@H]3CO)ccc2c1 ZINC000952986855 1334631183 /nfs/dbraw/zinc/63/11/83/1334631183.db2.gz BIVGDHSTXRRJPI-FQEVSTJZSA-N 1 1 342.483 3.175 50 0 EGAAMO COc1ccc2cc(CNCCC[N@H+]3CCCC[C@H]3CO)ccc2c1 ZINC000952986855 1334631185 /nfs/dbraw/zinc/63/11/85/1334631185.db2.gz BIVGDHSTXRRJPI-FQEVSTJZSA-N 1 1 342.483 3.175 50 0 EGAAMO COc1ccc2cc(C[NH2+]CCCN3CCCC[C@H]3CO)ccc2c1 ZINC000952986855 1334631186 /nfs/dbraw/zinc/63/11/86/1334631186.db2.gz BIVGDHSTXRRJPI-FQEVSTJZSA-N 1 1 342.483 3.175 50 0 EGAAMO COc1ccc2c(c1)C=C(C[NH2+]Cc1cc(CC(C)C)no1)CO2 ZINC000952989918 1334632186 /nfs/dbraw/zinc/63/21/86/1334632186.db2.gz SXUIEHIQFUUECZ-UHFFFAOYSA-N 1 1 328.412 3.447 50 0 EGAAMO C[N@H+]1CCC[C@]2(CO)CCN(Cc3c(Cl)cccc3Cl)C[C@@H]12 ZINC001704298566 1416432751 /nfs/dbraw/zinc/43/27/51/1416432751.db2.gz ICVGFGQLKAABMF-IAGOWNOFSA-N 1 1 343.298 3.272 50 0 EGAAMO O=c1cc(C[N@@H+]2CCC[C@]3(CCC[C@H]3O)C2)[nH]c2ccc(Cl)cc12 ZINC001704337954 1416449068 /nfs/dbraw/zinc/44/90/68/1416449068.db2.gz ICVPTFZTBAFDIC-RTBURBONSA-N 1 1 346.858 3.309 50 0 EGAAMO Cc1ccccc1[C@@]1(O)CC[N@@H+](Cc2cc(-c3cccnc3)no2)C1 ZINC001704347808 1416451768 /nfs/dbraw/zinc/45/17/68/1416451768.db2.gz GYTMWJRCPWMGPQ-HXUWFJFHSA-N 1 1 335.407 3.139 50 0 EGAAMO NC(=O)COc1ccc(C[N@H+]2C[C@H]3[C@@H](C2)C2CCC3CC2)cc1Cl ZINC001704353332 1416453588 /nfs/dbraw/zinc/45/35/88/1416453588.db2.gz NDTLDHMVDHMXGX-STONLHKKSA-N 1 1 348.874 3.072 50 0 EGAAMO C[N@H+](CC(=O)N1CCC[C@@H]1c1nccs1)Cc1ccc(F)cc1 ZINC001704355182 1416454444 /nfs/dbraw/zinc/45/44/44/1416454444.db2.gz MTTAVTMNZIAFNH-OAHLLOKOSA-N 1 1 333.432 3.078 50 0 EGAAMO C[N@@H+](CC(=O)N1CCC[C@@H]1c1nccs1)Cc1ccc(F)cc1 ZINC001704355182 1416454445 /nfs/dbraw/zinc/45/44/45/1416454445.db2.gz MTTAVTMNZIAFNH-OAHLLOKOSA-N 1 1 333.432 3.078 50 0 EGAAMO Cc1nn(C)cc1C[N@H+](C/C=C/c1ccccc1)C[C@@H]1CCCO1 ZINC001704357699 1416455295 /nfs/dbraw/zinc/45/52/95/1416455295.db2.gz WHZGMHFDHDNLMD-FXVWLTTGSA-N 1 1 325.456 3.423 50 0 EGAAMO Cc1nn(C)cc1C[N@@H+](C/C=C/c1ccccc1)C[C@@H]1CCCO1 ZINC001704357699 1416455297 /nfs/dbraw/zinc/45/52/97/1416455297.db2.gz WHZGMHFDHDNLMD-FXVWLTTGSA-N 1 1 325.456 3.423 50 0 EGAAMO Cc1ccc2c(C(=O)NC[C@H]3CC[N@H+](C4CCCCC4)C3)cnn2c1 ZINC001772709070 1441417127 /nfs/dbraw/zinc/41/71/27/1441417127.db2.gz HOPXCULARWKSGY-MRXNPFEDSA-N 1 1 340.471 3.027 50 0 EGAAMO Cc1onc(-c2ccccc2)c1C(=O)N[C@H]1CCC[N@H+]2CCC[C@@H]12 ZINC001772807877 1441417481 /nfs/dbraw/zinc/41/74/81/1441417481.db2.gz VBHNEJARNKRERV-HOTGVXAUSA-N 1 1 325.412 3.007 50 0 EGAAMO COc1cccc(C(=O)N2CC[NH+](Cc3c[nH]c4ccccc34)CC2)c1 ZINC000019889287 202024745 /nfs/dbraw/zinc/02/47/45/202024745.db2.gz LIJQLNAXAAOJDH-UHFFFAOYSA-N 1 1 349.434 3.135 50 0 EGAAMO Cc1cc(Br)ccc1OCCCCN1CC[NH+](C)CC1 ZINC000020118425 202032775 /nfs/dbraw/zinc/03/27/75/202032775.db2.gz XLLDEHNXFSDGQM-UHFFFAOYSA-N 1 1 341.293 3.164 50 0 EGAAMO OC[C@H]1CCC[N@H+](C2CCN(Cc3sccc3Cl)CC2)C1 ZINC000020536203 202047187 /nfs/dbraw/zinc/04/71/87/202047187.db2.gz FUELHSOFICPLBV-ZDUSSCGKSA-N 1 1 328.909 3.070 50 0 EGAAMO Cc1ccc(C[NH+]2CCN(CC(=O)Nc3ccccc3C)CC2)cc1 ZINC000020367252 202040083 /nfs/dbraw/zinc/04/00/83/202040083.db2.gz IQBJRJBILISDFT-UHFFFAOYSA-N 1 1 337.467 3.060 50 0 EGAAMO Cc1ccccc1C[N@H+]1CCN(Cc2ccccc2F)C[C@@H]1CCO ZINC000020601510 202049708 /nfs/dbraw/zinc/04/97/08/202049708.db2.gz BSXYCTGUTDOSBY-FQEVSTJZSA-N 1 1 342.458 3.203 50 0 EGAAMO CCn1cc(CN2CCC[C@@H]([N@@H+](C)Cc3ccccc3)C2)c(C)n1 ZINC000020910164 202058220 /nfs/dbraw/zinc/05/82/20/202058220.db2.gz BFJLMODQZHEUNU-HXUWFJFHSA-N 1 1 326.488 3.308 50 0 EGAAMO OCC[C@H]1C[N@@H+](CCCc2ccccc2)CCN1Cc1cccs1 ZINC000020909137 202058955 /nfs/dbraw/zinc/05/89/55/202058955.db2.gz UKLXBPXLACMUGV-IBGZPJMESA-N 1 1 344.524 3.250 50 0 EGAAMO OCC[C@H]1CN(CCCc2ccccc2)CC[N@@H+]1Cc1cccs1 ZINC000020909137 202058957 /nfs/dbraw/zinc/05/89/57/202058957.db2.gz UKLXBPXLACMUGV-IBGZPJMESA-N 1 1 344.524 3.250 50 0 EGAAMO OCC[C@H]1CN(CCCc2ccccc2)CC[N@H+]1Cc1cccs1 ZINC000020909137 202058959 /nfs/dbraw/zinc/05/89/59/202058959.db2.gz UKLXBPXLACMUGV-IBGZPJMESA-N 1 1 344.524 3.250 50 0 EGAAMO CSc1ccc(C(=O)c2ccccc2CN2CC[NH+](C)CC2)cc1 ZINC000022028160 202078001 /nfs/dbraw/zinc/07/80/01/202078001.db2.gz RALDCBMQOVNUPU-UHFFFAOYSA-N 1 1 340.492 3.387 50 0 EGAAMO Cc1nc(-c2cccc(C[N@@H+](C)[C@H](C)c3ccncn3)c2)[nH]c(=O)c1C ZINC000023128772 202099612 /nfs/dbraw/zinc/09/96/12/202099612.db2.gz HNHKLWYZOVHBEZ-OAHLLOKOSA-N 1 1 349.438 3.037 50 0 EGAAMO Cc1nc(-c2cccc(C[N@H+](C)[C@H](C)c3ccncn3)c2)[nH]c(=O)c1C ZINC000023128772 202099613 /nfs/dbraw/zinc/09/96/13/202099613.db2.gz HNHKLWYZOVHBEZ-OAHLLOKOSA-N 1 1 349.438 3.037 50 0 EGAAMO Cc1ccc(CNC(=O)CC[C@@H]2CCC[N@@H+](Cc3ccccn3)C2)o1 ZINC000023506242 202104866 /nfs/dbraw/zinc/10/48/66/202104866.db2.gz HGUPZKAVZXUHRW-KRWDZBQOSA-N 1 1 341.455 3.292 50 0 EGAAMO c1csc(-c2noc(C[N@H+]3CC[C@H](CNc4ccccn4)C3)n2)c1 ZINC000097200578 201383126 /nfs/dbraw/zinc/38/31/26/201383126.db2.gz AFSHASZUNSYCAC-CYBMUJFWSA-N 1 1 341.440 3.127 50 0 EGAAMO c1csc(-c2noc(C[N@@H+]3CC[C@H](CNc4ccccn4)C3)n2)c1 ZINC000097200578 201383130 /nfs/dbraw/zinc/38/31/30/201383130.db2.gz AFSHASZUNSYCAC-CYBMUJFWSA-N 1 1 341.440 3.127 50 0 EGAAMO O=C(c1ccccn1)[C@@H]1CCC[N@@H+](Cc2cc3ccccc3[nH]c2=O)C1 ZINC000216427434 241192144 /nfs/dbraw/zinc/19/21/44/241192144.db2.gz RSRZWIOBVBJBTI-MRXNPFEDSA-N 1 1 347.418 3.018 50 0 EGAAMO Cc1ccc(-c2ccccc2C[N@H+]2CCC[C@](CO)(CN(C)C)C2)o1 ZINC000216521998 241198094 /nfs/dbraw/zinc/19/80/94/241198094.db2.gz XHOJWBJRNZZGMB-NRFANRHFSA-N 1 1 342.483 3.391 50 0 EGAAMO Cc1ccc(-c2ccccc2C[N@@H+]2CCC[C@](CO)(CN(C)C)C2)o1 ZINC000216521998 241198098 /nfs/dbraw/zinc/19/80/98/241198098.db2.gz XHOJWBJRNZZGMB-NRFANRHFSA-N 1 1 342.483 3.391 50 0 EGAAMO CCc1nc(C)c(CNC(=O)C[N@H+]2CC[C@H](c3ccccc3)C2)s1 ZINC000219484970 241390076 /nfs/dbraw/zinc/39/00/76/241390076.db2.gz JAUVNNNHDMCJKB-INIZCTEOSA-N 1 1 343.496 3.120 50 0 EGAAMO COc1ccc(-c2nc(C[N@H+](C)CCC(C)(C)O)c(C)o2)c(F)c1 ZINC000071775500 203111723 /nfs/dbraw/zinc/11/17/23/203111723.db2.gz AXJKAEHAAULSKI-UHFFFAOYSA-N 1 1 336.407 3.391 50 0 EGAAMO COc1ccc(-c2nc(C[N@@H+](C)CCC(C)(C)O)c(C)o2)c(F)c1 ZINC000071775500 203111724 /nfs/dbraw/zinc/11/17/24/203111724.db2.gz AXJKAEHAAULSKI-UHFFFAOYSA-N 1 1 336.407 3.391 50 0 EGAAMO CC(C)[C@H]1CN(C(=O)c2onc3ccccc32)CCC[N@H+]1CC1CC1 ZINC000071681697 203102904 /nfs/dbraw/zinc/10/29/04/203102904.db2.gz AEWGBISRRLOPBY-GOSISDBHSA-N 1 1 341.455 3.410 50 0 EGAAMO Cc1[nH+]ccn1[C@H](C)CC(=O)NC1CCN(c2cccc(C)c2)CC1 ZINC000071714926 203104648 /nfs/dbraw/zinc/10/46/48/203104648.db2.gz QUMZMFPXNTUGES-MRXNPFEDSA-N 1 1 340.471 3.236 50 0 EGAAMO Cc1ccc(-c2ccnc(NCC[N@@H+]3CCC[C@H](C)C3)n2)c(C)n1 ZINC000071750037 203106483 /nfs/dbraw/zinc/10/64/83/203106483.db2.gz ZSHZRPRJAUWARM-AWEZNQCLSA-N 1 1 325.460 3.299 50 0 EGAAMO CC(=O)N1CCC([N@H+]2CCC[C@@H](CCc3ccc(F)cc3)C2)CC1 ZINC000071752040 203108352 /nfs/dbraw/zinc/10/83/52/203108352.db2.gz BKQGCFURQWOKGV-SFHVURJKSA-N 1 1 332.463 3.481 50 0 EGAAMO CCc1[nH]c2ccc(CNC(=O)C[N@H+]3C[C@@H]4CC[C@H]3C4)cc2c1C ZINC000071760357 203109359 /nfs/dbraw/zinc/10/93/59/203109359.db2.gz XHWGPLDESAIOKU-CVEARBPZSA-N 1 1 325.456 3.139 50 0 EGAAMO COc1ccc(-c2nccn2CC[N@H+]2CCCC[C@H]2CO)c(C)c1C ZINC000072121680 203164246 /nfs/dbraw/zinc/16/42/46/203164246.db2.gz IAXAFMMROXJGPI-KRWDZBQOSA-N 1 1 343.471 3.022 50 0 EGAAMO c1oc(-c2ccccc2)nc1CN1CCC[N@@H+](Cc2cccnc2)CC1 ZINC000072133365 203166100 /nfs/dbraw/zinc/16/61/00/203166100.db2.gz JTWRXHVHZMNOPV-UHFFFAOYSA-N 1 1 348.450 3.445 50 0 EGAAMO Cc1ccc([C@@H]2C[N@@H+](Cc3cccnc3)[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000072137066 203168013 /nfs/dbraw/zinc/16/80/13/203168013.db2.gz SQBDYNOVLVLJIU-BHDDXSALSA-N 1 1 333.479 3.452 50 0 EGAAMO Cc1ccc([C@@H]2CN(Cc3cccnc3)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000072137066 203168017 /nfs/dbraw/zinc/16/80/17/203168017.db2.gz SQBDYNOVLVLJIU-BHDDXSALSA-N 1 1 333.479 3.452 50 0 EGAAMO CCc1nn(C)c(Cl)c1C[N@@H+]1CCC[C@H](OCc2ccccn2)C1 ZINC000072149423 203171395 /nfs/dbraw/zinc/17/13/95/203171395.db2.gz JEYGHHSMRMQIJC-HNNXBMFYSA-N 1 1 348.878 3.212 50 0 EGAAMO CCc1nn(C)c(Cl)c1C[N@H+]1CCC[C@H](OCc2ccccn2)C1 ZINC000072149423 203171396 /nfs/dbraw/zinc/17/13/96/203171396.db2.gz JEYGHHSMRMQIJC-HNNXBMFYSA-N 1 1 348.878 3.212 50 0 EGAAMO CCn1nc(C)c(C[N@H+]2CCCN(c3ccc(F)cc3)CC2)c1C ZINC000072147123 203172052 /nfs/dbraw/zinc/17/20/52/203172052.db2.gz BIIVEGGAFTUSEH-UHFFFAOYSA-N 1 1 330.451 3.371 50 0 EGAAMO C[N@@H+](Cc1cnn(-c2ccccc2)c1)Cc1cc2ccccc2[nH]c1=O ZINC000072152980 203172704 /nfs/dbraw/zinc/17/27/04/203172704.db2.gz IYFSGRQMSNXMQD-UHFFFAOYSA-N 1 1 344.418 3.346 50 0 EGAAMO CCCc1nc(N[C@H]2CC(=O)N(Cc3cccc(F)c3)C2)cc(C)[nH+]1 ZINC000072153345 203174326 /nfs/dbraw/zinc/17/43/26/203174326.db2.gz PTHLENPEKCMPEG-INIZCTEOSA-N 1 1 342.418 3.090 50 0 EGAAMO O=C(CC[N@@H+]1CCC[C@H](CCc2ccccc2F)C1)N1CCCC1 ZINC000072156647 203174912 /nfs/dbraw/zinc/17/49/12/203174912.db2.gz OIYBLNPCUGYSBK-QGZVFWFLSA-N 1 1 332.463 3.483 50 0 EGAAMO CCOC(=O)C[C@@H]1CCCC[N@H+]1Cc1cc(-c2ccccn2)no1 ZINC000072157355 203175598 /nfs/dbraw/zinc/17/55/98/203175598.db2.gz AYPAOCOXZGFHFR-AWEZNQCLSA-N 1 1 329.400 3.044 50 0 EGAAMO CC1(C(=O)N2C[C@@H](c3cc(F)cc(F)c3)[C@@H]3[C@H]2C2CC[NH+]3CC2)CC1 ZINC000072163455 203177361 /nfs/dbraw/zinc/17/73/61/203177361.db2.gz VBJIMYSDIGSJJW-RCCFBDPRSA-N 1 1 346.421 3.154 50 0 EGAAMO O=C(c1ccc(O)cc1)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000072454188 203226628 /nfs/dbraw/zinc/22/66/28/203226628.db2.gz VCIZMMSGWJMJME-UHFFFAOYSA-N 1 1 338.451 3.173 50 0 EGAAMO Cc1cc2nc(-c3ccccc3)cc(N3CC[C@@]4(CC[N@H+](C)C4)C3)n2n1 ZINC000072453626 203226988 /nfs/dbraw/zinc/22/69/88/203226988.db2.gz KZNXQXJAMQGUKC-OAQYLSRUSA-N 1 1 347.466 3.237 50 0 EGAAMO CCc1cc(NC[C@@H]2CC[N@H+](C3CCCCC3)C2)n2nccc2n1 ZINC000072477762 203232155 /nfs/dbraw/zinc/23/21/55/203232155.db2.gz XRURTEQXMJIOGX-HNNXBMFYSA-N 1 1 327.476 3.358 50 0 EGAAMO Cc1cc2nc(C)cc(N3CCC(CCn4cc[nH+]c4C)CC3)n2n1 ZINC000072418077 203219353 /nfs/dbraw/zinc/21/93/53/203219353.db2.gz PETIAUAHKGIUKU-UHFFFAOYSA-N 1 1 338.459 3.158 50 0 EGAAMO c1cnn(CC[C@@H]2CCCC[N@H+]2Cc2nnc(-c3ccccc3)o2)c1 ZINC000077353645 203382199 /nfs/dbraw/zinc/38/21/99/203382199.db2.gz IYWMASQTTIJIAN-KRWDZBQOSA-N 1 1 337.427 3.378 50 0 EGAAMO c1cn(CC[C@H]2CCCC[N@@H+]2Cc2noc(-c3ccccc3)n2)cn1 ZINC000077357152 203383166 /nfs/dbraw/zinc/38/31/66/203383166.db2.gz ZMKVXEAPPHWNAI-QGZVFWFLSA-N 1 1 337.427 3.378 50 0 EGAAMO c1cn(CC[C@H]2CCCC[N@H+]2Cc2noc(-c3ccccc3)n2)cn1 ZINC000077357152 203383170 /nfs/dbraw/zinc/38/31/70/203383170.db2.gz ZMKVXEAPPHWNAI-QGZVFWFLSA-N 1 1 337.427 3.378 50 0 EGAAMO COc1ccc(C[N@H+]2CCC[C@]3(CCC(=O)N(C4CC4)C3)C2)c(F)c1 ZINC000077407510 203387528 /nfs/dbraw/zinc/38/75/28/203387528.db2.gz SFIJDUHTASVDJA-FQEVSTJZSA-N 1 1 346.446 3.201 50 0 EGAAMO CCOc1cccc(C[N@H+]2CCC[C@@]3(CCC(=O)N(C4CC4)C3)C2)c1 ZINC000077438613 203388113 /nfs/dbraw/zinc/38/81/13/203388113.db2.gz CRPCCTYACWIBKN-OAQYLSRUSA-N 1 1 342.483 3.452 50 0 EGAAMO COc1ccc2c(c1)C=C(C[N@H+]1CCC[C@@H](c3cc[nH]n3)C1)CO2 ZINC000077456069 203389394 /nfs/dbraw/zinc/38/93/94/203389394.db2.gz DFNZOTQVXIJDQD-OAHLLOKOSA-N 1 1 325.412 3.074 50 0 EGAAMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2cc(CC(C)C)no2)cc1 ZINC000091435107 218005065 /nfs/dbraw/zinc/00/50/65/218005065.db2.gz QEYXXIHINGOBHY-UHFFFAOYSA-N 1 1 338.411 3.297 50 0 EGAAMO CC1=C(CC[N@H+]2CC[C@@H](Nc3ncccn3)[C@H](O)C2)C(C)(C)CCC1 ZINC000299802058 258104870 /nfs/dbraw/zinc/10/48/70/258104870.db2.gz WWCBAEAAAHQPST-QZTJIDSGSA-N 1 1 344.503 3.240 50 0 EGAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)Nc1ccc(Cl)c2ncccc12 ZINC000299759405 258076682 /nfs/dbraw/zinc/07/66/82/258076682.db2.gz REWGSGGOTFHKOL-GFCCVEGCSA-N 1 1 332.835 3.494 50 0 EGAAMO CCc1cccc(C)c1NC(=O)C1CC[NH+](Cc2nccn2C)CC1 ZINC000193650795 153298339 /nfs/dbraw/zinc/29/83/39/153298339.db2.gz ALCRYFGOAGESKM-UHFFFAOYSA-N 1 1 340.471 3.142 50 0 EGAAMO CC(=O)c1cc(C[NH+]2CCC3(CC2)C(=O)Nc2ccccc23)cs1 ZINC000097679880 273495862 /nfs/dbraw/zinc/49/58/62/273495862.db2.gz ULQIDURWMLVFTD-UHFFFAOYSA-N 1 1 340.448 3.437 50 0 EGAAMO COc1ccc(-c2cc(C(F)(F)F)n(-c3cc(C)[nH+]c(N)n3)n2)cc1 ZINC000001407793 452661614 /nfs/dbraw/zinc/66/16/14/452661614.db2.gz DCCIKKYWSSFUIS-UHFFFAOYSA-N 1 1 349.316 3.247 50 0 EGAAMO COc1cc2c(cc1OC)[C@@H]1[N@@H+](CC[C@]1(O)c1ccc(F)cc1)CC2 ZINC000004089749 452792748 /nfs/dbraw/zinc/79/27/48/452792748.db2.gz CHVNLMGGTMLHNX-PMACEKPBSA-N 1 1 343.398 3.034 50 0 biogenic EGAAMO COc1cc(CNC2CC[NH+](Cc3ccccc3)CC2)cc(OC)c1 ZINC000004989381 452829381 /nfs/dbraw/zinc/82/93/81/452829381.db2.gz HRESOYSDTSYUEC-UHFFFAOYSA-N 1 1 340.467 3.458 50 0 EGAAMO CC[NH+](CC)CCNc1ncnc2c1c(C)c(C)n2-c1ccncc1 ZINC000005348439 452862398 /nfs/dbraw/zinc/86/23/98/452862398.db2.gz YINPRSHFONDMSZ-UHFFFAOYSA-N 1 1 338.459 3.186 50 0 EGAAMO Cc1c(C)n(Cc2cccnc2)c2nc[nH+]c(NCc3cccnc3)c12 ZINC000006672467 452967121 /nfs/dbraw/zinc/96/71/21/452967121.db2.gz MNOFWCZQOQWVQO-UHFFFAOYSA-N 1 1 344.422 3.499 50 0 EGAAMO CC(=O)N1CCC([N@H+]2CCC[C@H](C(=O)c3ccc(Cl)cc3)C2)CC1 ZINC000012225735 453350520 /nfs/dbraw/zinc/35/05/20/453350520.db2.gz FXOQZPXDMJNVQS-INIZCTEOSA-N 1 1 348.874 3.246 50 0 EGAAMO C[N@H+]1CCCC[C@@H]1C(=O)NCc1cccnc1Oc1ccccc1F ZINC000012387836 453359027 /nfs/dbraw/zinc/35/90/27/453359027.db2.gz IKPVPPQXTJCFFU-MRXNPFEDSA-N 1 1 343.402 3.114 50 0 EGAAMO OCC[N@@H+](Cc1c[nH]nc1-c1ccc(F)cc1F)Cc1ccccc1 ZINC000012443755 453362082 /nfs/dbraw/zinc/36/20/82/453362082.db2.gz RHRFJWNKBHLQMY-UHFFFAOYSA-N 1 1 343.377 3.349 50 0 EGAAMO CCOC(=O)[C@H]1CC2(CCN(Cc3ccccc3)CC2)[N@H+]2CCC[C@@H]12 ZINC000014987441 453551114 /nfs/dbraw/zinc/55/11/14/453551114.db2.gz XQKPAWKYOKHCKG-OALUTQOASA-N 1 1 342.483 3.069 50 0 EGAAMO CSCC[C@H](C)[N@H+]1CCc2[nH]nc(-c3ccc4c(c3)OCO4)c2C1 ZINC000015070080 453554731 /nfs/dbraw/zinc/55/47/31/453554731.db2.gz CUQDHUZBXHBUCO-LBPRGKRZSA-N 1 1 345.468 3.305 50 0 EGAAMO CC[C@H](Oc1cc(Cl)ccc1Cl)C(=O)N1CCC[N@@H+](C)CC1 ZINC000015952191 453589417 /nfs/dbraw/zinc/58/94/17/453589417.db2.gz ZYDJWEGWPUUQER-AWEZNQCLSA-N 1 1 345.270 3.315 50 0 EGAAMO CCOC(=O)[C@H]1CCC[N@@H+](CCCCOc2ccc(C)cc2OC)C1 ZINC000016527063 453610910 /nfs/dbraw/zinc/61/09/10/453610910.db2.gz MYSIEIRLSUKPNS-KRWDZBQOSA-N 1 1 349.471 3.438 50 0 EGAAMO O=C(NC[C@H]1CC[N@@H+](Cc2ccoc2)C1)c1cc2sccc2[nH]1 ZINC000067643481 453952005 /nfs/dbraw/zinc/95/20/05/453952005.db2.gz GBRGACMWWVRVJL-GFCCVEGCSA-N 1 1 329.425 3.074 50 0 EGAAMO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)Cc2ccc(O)c(Cl)c2)C1 ZINC000067642306 453952045 /nfs/dbraw/zinc/95/20/45/453952045.db2.gz SYZBZWJMCBFEHG-HNNXBMFYSA-N 1 1 338.879 3.072 50 0 EGAAMO O=C(NC[C@H]1CCC[N@@H+](C/C=C/c2ccco2)C1)c1cccc(O)c1 ZINC000067675860 453955276 /nfs/dbraw/zinc/95/52/76/453955276.db2.gz PDBMDDLTMVMDMG-ILNGBFOMSA-N 1 1 340.423 3.140 50 0 EGAAMO C[C@@H](C(=O)NC1CCCC1)[N@H+](C)Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000067695725 453958121 /nfs/dbraw/zinc/95/81/21/453958121.db2.gz GTPSFMVAHLRMEN-ZDUSSCGKSA-N 1 1 344.434 3.095 50 0 EGAAMO C[C@@H](C(=O)NC1CCCC1)[N@@H+](C)Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000067695725 453958126 /nfs/dbraw/zinc/95/81/26/453958126.db2.gz GTPSFMVAHLRMEN-ZDUSSCGKSA-N 1 1 344.434 3.095 50 0 EGAAMO c1cc(C[NH+]2CCOCC2)cc(-c2ccc(NC3CCCC3)nn2)c1 ZINC000067758494 453963430 /nfs/dbraw/zinc/96/34/30/453963430.db2.gz NOAGSSLNKLBQOH-UHFFFAOYSA-N 1 1 338.455 3.330 50 0 EGAAMO O=C(NC[C@H]1CCC[N@@H+](Cc2cccc3cnccc32)C1)C1CCC1 ZINC000067758548 453963659 /nfs/dbraw/zinc/96/36/59/453963659.db2.gz PTRAYEYSEVPCAJ-MRXNPFEDSA-N 1 1 337.467 3.363 50 0 EGAAMO CCCCOC(=O)N1CCC2(CCC([N@H+]3CC[C@@H](O)C3)CC2)CC1 ZINC000067773408 453965207 /nfs/dbraw/zinc/96/52/07/453965207.db2.gz JMQFZAHSWVOPFR-QGZVFWFLSA-N 1 1 338.492 3.015 50 0 EGAAMO CSc1ccc(C[N@@H+](CCO)Cc2ccc3c(c2)CCO3)cc1 ZINC000055134404 453965740 /nfs/dbraw/zinc/96/57/40/453965740.db2.gz JZPYQUDOHGAYLL-UHFFFAOYSA-N 1 1 329.465 3.338 50 0 EGAAMO NC(=O)c1ccc(Oc2cc(F)c(C[NH+]3CCCC3)c(Cl)c2)nc1 ZINC000067847870 453972047 /nfs/dbraw/zinc/97/20/47/453972047.db2.gz DPTTYUOHGHIMOJ-UHFFFAOYSA-N 1 1 349.793 3.361 50 0 EGAAMO c1cnn(C[C@@H]2CCC[N@H+]2Cc2ccc(Sc3ncccn3)o2)c1 ZINC000055270237 453973353 /nfs/dbraw/zinc/97/33/53/453973353.db2.gz JCYNFVWFDUWPKV-AWEZNQCLSA-N 1 1 341.440 3.082 50 0 EGAAMO CCc1[nH]c(CN2CCN(c3nc4cc(C)ccc4o3)CC2)c(C)[nH+]1 ZINC000067880560 453976048 /nfs/dbraw/zinc/97/60/48/453976048.db2.gz MVZGRDUHILACMP-UHFFFAOYSA-N 1 1 339.443 3.052 50 0 EGAAMO O=C(NCC[C@@H]1C[N@H+](C2CCCCCC2)CCO1)c1ccsc1 ZINC000067934319 453981968 /nfs/dbraw/zinc/98/19/68/453981968.db2.gz BXUUAXLCLFEREO-QGZVFWFLSA-N 1 1 336.501 3.292 50 0 EGAAMO CC[C@@H](C(=O)NC(C)(C)C)[N@@H+]1CCc2[nH]nc(-c3ccccc3)c2C1 ZINC000067947861 453983134 /nfs/dbraw/zinc/98/31/34/453983134.db2.gz MJVJIIURHYEZJN-KRWDZBQOSA-N 1 1 340.471 3.128 50 0 EGAAMO CC[C@@H](C(=O)NC(C)(C)C)[N@H+]1CCc2[nH]nc(-c3ccccc3)c2C1 ZINC000067947861 453983138 /nfs/dbraw/zinc/98/31/38/453983138.db2.gz MJVJIIURHYEZJN-KRWDZBQOSA-N 1 1 340.471 3.128 50 0 EGAAMO O=C(Nc1cccc(C(F)(F)F)c1)N1CCC[N@H+]2CCC[C@H]2C1 ZINC000076329799 453989585 /nfs/dbraw/zinc/98/95/85/453989585.db2.gz ZYEPAEMKLUHBSU-AWEZNQCLSA-N 1 1 327.350 3.407 50 0 EGAAMO Cc1cccc2c1ccn2CC(=O)NC[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000085874901 454040521 /nfs/dbraw/zinc/04/05/21/454040521.db2.gz DXBGLPODKRLFEH-PKOBYXMFSA-N 1 1 339.483 3.330 50 0 biogenic EGAAMO CCCc1ncc(C[N@H+]2CC[C@@H](c3cc(OC)ccc3OC)C2)cn1 ZINC000077555351 454122179 /nfs/dbraw/zinc/12/21/79/454122179.db2.gz ZTXKOLHSRIYNJG-MRXNPFEDSA-N 1 1 341.455 3.436 50 0 EGAAMO CCc1cc(CN2C[C@H]3CC[C@@H]2C[N@@H+](Cc2ccc(F)cc2)C3)on1 ZINC000095353146 454196161 /nfs/dbraw/zinc/19/61/61/454196161.db2.gz MPHJJUOEVQROGA-QFBILLFUSA-N 1 1 343.446 3.473 50 0 EGAAMO CCc1cc(C[N@@H+]2C[C@H]3CC[C@@H]2CN(Cc2ccc(F)cc2)C3)on1 ZINC000095353146 454196164 /nfs/dbraw/zinc/19/61/64/454196164.db2.gz MPHJJUOEVQROGA-QFBILLFUSA-N 1 1 343.446 3.473 50 0 EGAAMO CCc1cc(C[N@H+]2C[C@H]3CC[C@@H]2CN(Cc2ccc(F)cc2)C3)on1 ZINC000095353146 454196169 /nfs/dbraw/zinc/19/61/69/454196169.db2.gz MPHJJUOEVQROGA-QFBILLFUSA-N 1 1 343.446 3.473 50 0 EGAAMO Nc1cc(NCCc2ccccn2)nc(SCc2ccccc2)[nH+]1 ZINC000095358024 454196828 /nfs/dbraw/zinc/19/68/28/454196828.db2.gz ROKHEQSNJGNKCA-UHFFFAOYSA-N 1 1 337.452 3.401 50 0 EGAAMO Nc1cc(NCCc2ccccn2)[nH+]c(SCc2ccccc2)n1 ZINC000095358024 454196832 /nfs/dbraw/zinc/19/68/32/454196832.db2.gz ROKHEQSNJGNKCA-UHFFFAOYSA-N 1 1 337.452 3.401 50 0 EGAAMO COc1c(C)cnc(CN2C[C@H]3CC[C@H](C[N@@H+]3CC3CCC3)C2)c1C ZINC000095366494 454197061 /nfs/dbraw/zinc/19/70/61/454197061.db2.gz GGWQCWURNNBCPR-RBUKOAKNSA-N 1 1 343.515 3.403 50 0 EGAAMO CCc1ccc(CN(C)C(=O)[C@@H](c2ccc(F)cc2)[NH+](C)C)nc1 ZINC000095360278 454197351 /nfs/dbraw/zinc/19/73/51/454197351.db2.gz LNMKPPXKYSIDCL-GOSISDBHSA-N 1 1 329.419 3.044 50 0 EGAAMO O=C(c1ccc(O)c(Cl)c1)N1C[C@H]2CC[C@H](C[N@H+]2CC2CCC2)C1 ZINC000095356688 454197477 /nfs/dbraw/zinc/19/74/77/454197477.db2.gz JBVGEPPVVUWANX-GDBMZVCRSA-N 1 1 348.874 3.382 50 0 EGAAMO O=C(c1ccc(O)c(Cl)c1)N1C[C@H]2CC[C@H](C[N@@H+]2CC2CCC2)C1 ZINC000095356688 454197481 /nfs/dbraw/zinc/19/74/81/454197481.db2.gz JBVGEPPVVUWANX-GDBMZVCRSA-N 1 1 348.874 3.382 50 0 EGAAMO Cc1cc(C)c2c(ncnc2N(C)C[C@H]2CC[N@H+](CC(C)C)C2)n1 ZINC000095385119 454200245 /nfs/dbraw/zinc/20/02/45/454200245.db2.gz VSYXQAFOBBINCI-MRXNPFEDSA-N 1 1 327.476 3.056 50 0 EGAAMO Cc1nn(C)c2nc(N3CCC(CCn4cc[nH+]c4C)CC3)sc12 ZINC000095496720 454221137 /nfs/dbraw/zinc/22/11/37/454221137.db2.gz AXKPGXGADFKIKG-UHFFFAOYSA-N 1 1 344.488 3.150 50 0 EGAAMO CC(C)c1[nH+]ccn1[C@H](C)C(=O)NCc1cc(-c2ccco2)on1 ZINC000095506620 454224333 /nfs/dbraw/zinc/22/43/33/454224333.db2.gz ACGDVBPSMGCAOR-GFCCVEGCSA-N 1 1 328.372 3.132 50 0 EGAAMO C[N@@H+](CCc1noc(C2CC2)n1)C[C@H]1CCOc2ccccc2C1 ZINC000095511332 454225385 /nfs/dbraw/zinc/22/53/85/454225385.db2.gz UADYMIYRTNSDSD-AWEZNQCLSA-N 1 1 327.428 3.063 50 0 EGAAMO Cc1nc2ccccn2c1C[N@@H+]1C[C@@H](c2ccc(C)cc2)[C@H](N(C)C)C1 ZINC000095530760 454228564 /nfs/dbraw/zinc/22/85/64/454228564.db2.gz FNJFPFZRXWIABD-PZJWPPBQSA-N 1 1 348.494 3.481 50 0 EGAAMO Cc1nc2ccccn2c1C[N@H+]1C[C@@H](c2ccc(C)cc2)[C@H](N(C)C)C1 ZINC000095530760 454228568 /nfs/dbraw/zinc/22/85/68/454228568.db2.gz FNJFPFZRXWIABD-PZJWPPBQSA-N 1 1 348.494 3.481 50 0 EGAAMO C[N@H+]1CCCN(C(=O)Nc2ccccc2Oc2cccnc2)CC1 ZINC000096136262 454290421 /nfs/dbraw/zinc/29/04/21/454290421.db2.gz MFIWNEHYTNOALG-UHFFFAOYSA-N 1 1 326.400 3.043 50 0 EGAAMO Cc1cnc(C)c(N2CCC(c3[nH+]ccn3Cc3ccccn3)CC2)n1 ZINC000091319862 454426145 /nfs/dbraw/zinc/42/61/45/454426145.db2.gz HLJAMUYITFTAMX-UHFFFAOYSA-N 1 1 348.454 3.117 50 0 EGAAMO Cn1ccnc1CN1CCC2(CC1)C[C@H](c1ccccc1)C[N@@H+](C)C2 ZINC000091321713 454427805 /nfs/dbraw/zinc/42/78/05/454427805.db2.gz UONFDLVCXGXQTJ-IBGZPJMESA-N 1 1 338.499 3.122 50 0 EGAAMO O=C1NCCC[C@@]12CC[N@@H+](Cc1ccccc1OC1CCCC1)C2 ZINC000091535382 454444239 /nfs/dbraw/zinc/44/42/39/454444239.db2.gz NSXZJQWWNPNTMN-FQEVSTJZSA-N 1 1 328.456 3.110 50 0 EGAAMO O=C(C[C@@H]1CCc2ccccc21)NCC[N@H+]1CCc2ccccc2C1 ZINC000091547438 454445090 /nfs/dbraw/zinc/44/50/90/454445090.db2.gz YLQSPNKUZJFAMH-IBGZPJMESA-N 1 1 334.463 3.281 50 0 EGAAMO CC[C@H](CO)[N@@H+](Cc1cccs1)Cc1cnc2ccccc2n1 ZINC000063884992 454457455 /nfs/dbraw/zinc/45/74/55/454457455.db2.gz IVFXPOBYRSPQHD-OAHLLOKOSA-N 1 1 327.453 3.464 50 0 EGAAMO Cc1cccnc1N1CCC(c2[nH+]ccn2Cc2cccnc2)CC1 ZINC000091792771 454472000 /nfs/dbraw/zinc/47/20/00/454472000.db2.gz UTXDSMGGFLZJMM-UHFFFAOYSA-N 1 1 333.439 3.414 50 0 EGAAMO CSc1ccccc1C(=O)N1C[C@H]2CC[C@H](C[N@@H+]2CC2CC2)C1 ZINC000091860221 454483037 /nfs/dbraw/zinc/48/30/37/454483037.db2.gz NBXWFTNZQWDJTR-HZPDHXFCSA-N 1 1 330.497 3.355 50 0 EGAAMO O=C(c1ccccc1)N1C[C@H]2CC[C@H](C[N@@H+]2Cc2ccsc2)C1 ZINC000091876665 454484089 /nfs/dbraw/zinc/48/40/89/454484089.db2.gz JIEFXUUFFJPBFD-CRAIPNDOSA-N 1 1 326.465 3.485 50 0 EGAAMO Cc1cnc(C)c(N2CCC[C@@H](c3[nH+]ccn3Cc3ccncc3)C2)n1 ZINC000091987184 454499864 /nfs/dbraw/zinc/49/98/64/454499864.db2.gz QDUJALUWXZSMEL-GOSISDBHSA-N 1 1 348.454 3.117 50 0 EGAAMO O=C(c1ccncc1)N1C[C@H]2CC[C@H](C[N@@H+]2CC2CCCCC2)C1 ZINC000092028668 454505482 /nfs/dbraw/zinc/50/54/82/454505482.db2.gz ICYBJVVTWLHCCS-IEBWSBKVSA-N 1 1 327.472 3.198 50 0 EGAAMO CC1CCC(NC(=O)C[NH+]2CCC(Oc3ccccc3)CC2)CC1 ZINC000064793798 454505614 /nfs/dbraw/zinc/50/56/14/454505614.db2.gz FSOYRDPLMNULMI-UHFFFAOYSA-N 1 1 330.472 3.225 50 0 EGAAMO Cc1ccc[nH+]c1N1CCN(C(=O)c2cc(-c3ccccc3)on2)CC1 ZINC000065398781 454560124 /nfs/dbraw/zinc/56/01/24/454560124.db2.gz AGRMGOHVTZJRJN-UHFFFAOYSA-N 1 1 348.406 3.007 50 0 EGAAMO CC(=O)N1CCCC[C@H]1C1=CCC[N@H+](Cc2ccc(Cl)nc2)C1 ZINC000065404692 454560431 /nfs/dbraw/zinc/56/04/31/454560431.db2.gz GHVNIKLVWRLQHV-KRWDZBQOSA-N 1 1 333.863 3.268 50 0 EGAAMO CC(=O)N1CCCC[C@H]1C1=CCC[N@@H+](Cc2ccc(Cl)nc2)C1 ZINC000065404692 454560435 /nfs/dbraw/zinc/56/04/35/454560435.db2.gz GHVNIKLVWRLQHV-KRWDZBQOSA-N 1 1 333.863 3.268 50 0 EGAAMO CC[C@H](C(=O)Nc1ccc(C)cc1)[N@H+]1CC=C(c2cnn(C)c2)CC1 ZINC000065406233 454561094 /nfs/dbraw/zinc/56/10/94/454561094.db2.gz URKDKVDDTMLHGA-LJQANCHMSA-N 1 1 338.455 3.235 50 0 EGAAMO CC[C@H](C(=O)Nc1ccc(C)cc1)[N@@H+]1CC=C(c2cnn(C)c2)CC1 ZINC000065406233 454561101 /nfs/dbraw/zinc/56/11/01/454561101.db2.gz URKDKVDDTMLHGA-LJQANCHMSA-N 1 1 338.455 3.235 50 0 EGAAMO C[N@H+]1CCN(Cc2ccc(-c3ccc(Cl)cc3)o2)C[C@H]1CCO ZINC000104454822 454586289 /nfs/dbraw/zinc/58/62/89/454586289.db2.gz HWGPIWBMWMQQJF-MRXNPFEDSA-N 1 1 334.847 3.098 50 0 EGAAMO CN1CC[N@H+](Cc2ccc(-c3ccc(Cl)cc3)o2)C[C@H]1CCO ZINC000104454822 454586300 /nfs/dbraw/zinc/58/63/00/454586300.db2.gz HWGPIWBMWMQQJF-MRXNPFEDSA-N 1 1 334.847 3.098 50 0 EGAAMO CN1CC[N@@H+](Cc2ccc(-c3ccc(Cl)cc3)o2)C[C@H]1CCO ZINC000104454822 454586304 /nfs/dbraw/zinc/58/63/04/454586304.db2.gz HWGPIWBMWMQQJF-MRXNPFEDSA-N 1 1 334.847 3.098 50 0 EGAAMO O=C(NCCCc1ccccn1)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000178567950 454962383 /nfs/dbraw/zinc/96/23/83/454962383.db2.gz VLTCISGDUPQWEV-HXUWFJFHSA-N 1 1 337.467 3.185 50 0 EGAAMO O=C(C[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1)N1CCC[C@H]1c1cccs1 ZINC000247760748 455643883 /nfs/dbraw/zinc/64/38/83/455643883.db2.gz HESIWDKYGNSPGV-ZBFHGGJFSA-N 1 1 344.484 3.014 50 0 EGAAMO O=C(C[N@H+]1CCC[C@@H](c2cc[nH]n2)C1)N1CCC[C@H]1c1cccs1 ZINC000247760748 455643888 /nfs/dbraw/zinc/64/38/88/455643888.db2.gz HESIWDKYGNSPGV-ZBFHGGJFSA-N 1 1 344.484 3.014 50 0 EGAAMO NC(=O)c1ccc(OCCC[N@H+]2CCCC[C@H]2c2ccccn2)cc1 ZINC000252481558 455808421 /nfs/dbraw/zinc/80/84/21/455808421.db2.gz COBUDGNWBWSZRD-IBGZPJMESA-N 1 1 339.439 3.177 50 0 EGAAMO COc1cccc2[nH]c(C(=O)NC[C@H]3CCC[N@H+]4CCCC[C@@H]34)cc21 ZINC000252522891 455820180 /nfs/dbraw/zinc/82/01/80/455820180.db2.gz BJBIPMBBRIDQLP-KDOFPFPSSA-N 1 1 341.455 3.171 50 0 EGAAMO C[C@H]1C[N@@H+](C)CCCN1Cc1cnc(SCc2ccccc2)nc1 ZINC000215084254 456026278 /nfs/dbraw/zinc/02/62/78/456026278.db2.gz UTODSWFRCIKIRA-INIZCTEOSA-N 1 1 342.512 3.295 50 0 EGAAMO Cc1ccc(C2(C(=O)N3CCC[N@H+](Cc4ccccn4)CC3)CC2)cc1 ZINC000220025855 456037677 /nfs/dbraw/zinc/03/76/77/456037677.db2.gz JQKPDLJBFKFKJR-UHFFFAOYSA-N 1 1 349.478 3.156 50 0 EGAAMO Cc1ccc(C2(C(=O)N3CCC[N@@H+](Cc4ccccn4)CC3)CC2)cc1 ZINC000220025855 456037680 /nfs/dbraw/zinc/03/76/80/456037680.db2.gz JQKPDLJBFKFKJR-UHFFFAOYSA-N 1 1 349.478 3.156 50 0 EGAAMO CCO[C@H]1C[N@H+](Cc2ccc(Sc3ccc(C)cc3)o2)C[C@@H]1O ZINC000223755508 456061376 /nfs/dbraw/zinc/06/13/76/456061376.db2.gz KIZRAGIDPCDAGF-IRXDYDNUSA-N 1 1 333.453 3.321 50 0 EGAAMO CCO[C@H]1C[N@@H+](Cc2ccc(Sc3ccc(C)cc3)o2)C[C@@H]1O ZINC000223755508 456061379 /nfs/dbraw/zinc/06/13/79/456061379.db2.gz KIZRAGIDPCDAGF-IRXDYDNUSA-N 1 1 333.453 3.321 50 0 EGAAMO O=C(Nc1ccc(OCc2ccco2)cc1)N1CC[N@H+]2CCC[C@H]2C1 ZINC000299769858 456780857 /nfs/dbraw/zinc/78/08/57/456780857.db2.gz NUKGZLSSAMADNN-INIZCTEOSA-N 1 1 341.411 3.171 50 0 EGAAMO O=C(c1cccc(Cl)c1)N1CC([N@@H+]2CCc3ccccc3C2)C1 ZINC000390826978 457443595 /nfs/dbraw/zinc/44/35/95/457443595.db2.gz DFOBLJTUEDWBAQ-UHFFFAOYSA-N 1 1 326.827 3.223 50 0 EGAAMO O=C(c1cccc(Cl)c1)N1CC([N@H+]2CCc3ccccc3C2)C1 ZINC000390826978 457443598 /nfs/dbraw/zinc/44/35/98/457443598.db2.gz DFOBLJTUEDWBAQ-UHFFFAOYSA-N 1 1 326.827 3.223 50 0 EGAAMO CCOc1cccc(CN(C(=O)NC[C@@H]2CC[N@@H+](CC)C2)C2CC2)c1 ZINC000426552308 457853808 /nfs/dbraw/zinc/85/38/08/457853808.db2.gz IREPSMNDYCZXIP-KRWDZBQOSA-N 1 1 345.487 3.101 50 0 EGAAMO OCCn1ccc([C@H]2CCC[N@@H+](Cc3ccc(F)c(Cl)c3)C2)n1 ZINC000426589185 457859410 /nfs/dbraw/zinc/85/94/10/457859410.db2.gz YQQOSQOPJNTVFO-AWEZNQCLSA-N 1 1 337.826 3.048 50 0 EGAAMO C[C@@H]1CCCC[N@H+]1CCNC(=O)N(C)Cc1ccc2ncccc2c1 ZINC000534581028 459335402 /nfs/dbraw/zinc/33/54/02/459335402.db2.gz CNEJVOFPIJSQQT-MRXNPFEDSA-N 1 1 340.471 3.251 50 0 EGAAMO C/C=C/C(=O)N1CC[C@]2(C1)CCC[N@H+](Cc1cccc(F)c1F)C2 ZINC000534656049 459343333 /nfs/dbraw/zinc/34/33/33/459343333.db2.gz DVNMPQIEHWIDBT-KPUAHBEZSA-N 1 1 334.410 3.355 50 0 EGAAMO C/C=C/C(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1cccc(F)c1F)C2 ZINC000534656049 459343337 /nfs/dbraw/zinc/34/33/37/459343337.db2.gz DVNMPQIEHWIDBT-KPUAHBEZSA-N 1 1 334.410 3.355 50 0 EGAAMO CC[C@@H](C(=O)N1CC([N@@H+]2CCc3ccccc3C2)C1)c1ccccc1 ZINC000244933097 521811259 /nfs/dbraw/zinc/81/12/59/521811259.db2.gz CBAQESOQADJRBE-OAQYLSRUSA-N 1 1 334.463 3.449 50 0 EGAAMO CC[C@@H](C(=O)N1CC([N@H+]2CCc3ccccc3C2)C1)c1ccccc1 ZINC000244933097 521811272 /nfs/dbraw/zinc/81/12/72/521811272.db2.gz CBAQESOQADJRBE-OAQYLSRUSA-N 1 1 334.463 3.449 50 0 EGAAMO CC(C)(C)c1cc(C[NH+]2CCC(OCc3ccccn3)CC2)[nH]n1 ZINC000215812886 535106334 /nfs/dbraw/zinc/10/63/34/535106334.db2.gz YSJHVRAIEPETGX-UHFFFAOYSA-N 1 1 328.460 3.283 50 0 EGAAMO CCOc1ccc(-c2ccc(CN3CC[NH+](CCOC)CC3)o2)cc1 ZINC000215403660 535692022 /nfs/dbraw/zinc/69/20/22/535692022.db2.gz USGNUBAHFUAQHT-UHFFFAOYSA-N 1 1 344.455 3.109 50 0 EGAAMO CCOc1ccc(-c2ccc(C[NH+]3CCN(CCOC)CC3)o2)cc1 ZINC000215403660 535692026 /nfs/dbraw/zinc/69/20/26/535692026.db2.gz USGNUBAHFUAQHT-UHFFFAOYSA-N 1 1 344.455 3.109 50 0 EGAAMO C[NH+](C)Cc1csc(CN2CCN(CCc3ccccc3)CC2)c1 ZINC000219170361 536060723 /nfs/dbraw/zinc/06/07/23/536060723.db2.gz FOFRZAJZWAIYSR-UHFFFAOYSA-N 1 1 343.540 3.170 50 0 EGAAMO C[N@@H+](CCC(=O)Nc1ccc2c(c1)CCC2)C[C@H](O)c1ccccc1 ZINC000243932470 536306707 /nfs/dbraw/zinc/30/67/07/536306707.db2.gz BVQJWNGGLLXVSO-FQEVSTJZSA-N 1 1 338.451 3.169 50 0 EGAAMO C[N@@H+](Cc1cc2cc(F)ccc2[nH]1)Cc1ccc(OCCO)cc1 ZINC000216415705 536460495 /nfs/dbraw/zinc/46/04/95/536460495.db2.gz ZBTSFPRKBVHCSD-UHFFFAOYSA-N 1 1 328.387 3.310 50 0 EGAAMO COc1ccc(/C=C/C[N@H+]2CCCC[C@@H]2CCN2CCOCC2)cc1 ZINC000216270487 536595407 /nfs/dbraw/zinc/59/54/07/536595407.db2.gz XQEXSOKOAVLOAP-DPZZJQGRSA-N 1 1 344.499 3.285 50 0 EGAAMO COc1ccc(F)c(F)c1CN1CCC[N@@H+](Cc2ccccn2)CC1 ZINC000215924380 536598779 /nfs/dbraw/zinc/59/87/79/536598779.db2.gz AMVBMSMMHOOUEO-UHFFFAOYSA-N 1 1 347.409 3.076 50 0 EGAAMO Cc1cccc(C2(NC(=O)N(C)CC[N@@H+]3CCCC[C@@H]3C)CC2)c1 ZINC000584887835 548098995 /nfs/dbraw/zinc/09/89/95/548098995.db2.gz MZJSFOUOVGXTAG-KRWDZBQOSA-N 1 1 329.488 3.500 50 0 EGAAMO O=C(CC(F)(F)F)N[C@H]1CCC[N@H+](Cc2ccc(Cl)cc2)C1 ZINC000012314712 1291131933 /nfs/dbraw/zinc/13/19/33/1291131933.db2.gz CNXYDNGPZYJNEA-ZDUSSCGKSA-N 1 1 334.769 3.373 50 0 EGAAMO O=C(CC(F)(F)F)N[C@H]1CCC[N@@H+](Cc2ccc(Cl)cc2)C1 ZINC000012314712 1291131937 /nfs/dbraw/zinc/13/19/37/1291131937.db2.gz CNXYDNGPZYJNEA-ZDUSSCGKSA-N 1 1 334.769 3.373 50 0 EGAAMO O=C(Nc1ccc2c(c1)C[N@@H+](Cc1ccoc1)CC2)c1ccccn1 ZINC000015065842 1291145924 /nfs/dbraw/zinc/14/59/24/1291145924.db2.gz CVRNTVHLUFMOGL-UHFFFAOYSA-N 1 1 333.391 3.485 50 0 EGAAMO O=C(Nc1ccc2c(c1)C[N@H+](Cc1ccoc1)CC2)c1ccccn1 ZINC000015065842 1291145935 /nfs/dbraw/zinc/14/59/35/1291145935.db2.gz CVRNTVHLUFMOGL-UHFFFAOYSA-N 1 1 333.391 3.485 50 0 EGAAMO CCn1ncc(C[N@@H+]2CCc3[nH]nc(-c4cccc(F)c4)c3C2)c1C ZINC000019226142 1291192222 /nfs/dbraw/zinc/19/22/22/1291192222.db2.gz BLTZNLMLXDOLPG-UHFFFAOYSA-N 1 1 339.418 3.299 50 0 EGAAMO CCn1ncc(C[N@H+]2CCc3[nH]nc(-c4cccc(F)c4)c3C2)c1C ZINC000019226142 1291192225 /nfs/dbraw/zinc/19/22/25/1291192225.db2.gz BLTZNLMLXDOLPG-UHFFFAOYSA-N 1 1 339.418 3.299 50 0 EGAAMO Cc1n[nH]c(C)c1CCC[N@H+](C)C[C@]1(c2cccc(F)c2)CCOC1 ZINC000019883668 1291193207 /nfs/dbraw/zinc/19/32/07/1291193207.db2.gz WLXVZRGPPRFUGB-HXUWFJFHSA-N 1 1 345.462 3.388 50 0 EGAAMO C1=C[C@@H]2C[C@H]1C[C@H]2C[N@H+]1CCc2[nH]nc(-c3ccc4c(c3)OCO4)c2C1 ZINC000019811284 1291193367 /nfs/dbraw/zinc/19/33/67/1291193367.db2.gz VWBWIGNANHMGAS-LZWOXQAQSA-N 1 1 349.434 3.376 50 0 EGAAMO C[N@@H+](CCc1ccccn1)[C@H]1CCCN(C(=O)NC2CCCCC2)C1 ZINC000023159130 1291231144 /nfs/dbraw/zinc/23/11/44/1291231144.db2.gz NDWASHRSQCRJIV-IBGZPJMESA-N 1 1 344.503 3.063 50 0 EGAAMO CCCc1noc(C[N@@H+]2CC[C@H](c3cccc(OC)c3OC)C2)n1 ZINC000039412611 1291404800 /nfs/dbraw/zinc/40/48/00/1291404800.db2.gz KDERQYHYFVUOPP-ZDUSSCGKSA-N 1 1 331.416 3.029 50 0 EGAAMO CCCc1noc(C[N@H+]2CC[C@H](c3cccc(OC)c3OC)C2)n1 ZINC000039412611 1291404805 /nfs/dbraw/zinc/40/48/05/1291404805.db2.gz KDERQYHYFVUOPP-ZDUSSCGKSA-N 1 1 331.416 3.029 50 0 EGAAMO Cc1ccoc1C(=O)NC[C@@H]1CCC[N@@H+](C/C=C/c2ccco2)C1 ZINC000067910046 1292176306 /nfs/dbraw/zinc/17/63/06/1292176306.db2.gz LCPLXNUPBLCWLD-GIZXNFQBSA-N 1 1 328.412 3.336 50 0 EGAAMO C[C@@H]1CCCCN1C(=O)c1ccccc1NC(=O)C[NH+]1CCCCC1 ZINC000828072070 1292426871 /nfs/dbraw/zinc/42/68/71/1292426871.db2.gz GMJGKWFIWRDCJI-MRXNPFEDSA-N 1 1 343.471 3.126 50 0 EGAAMO O=c1cc(C2CC2)ncn1CC1CCN(c2cc[nH+]cc2Cl)CC1 ZINC000585631849 1298040611 /nfs/dbraw/zinc/04/06/11/1298040611.db2.gz OTHXQUSEAFBPMM-UHFFFAOYSA-N 1 1 344.846 3.086 50 0 EGAAMO O=C(CCC(=O)c1ccccc1)N[C@@H]1CC[N@H+](Cc2ccsc2)C1 ZINC000618256414 1298098727 /nfs/dbraw/zinc/09/87/27/1298098727.db2.gz HMSZMWLGQMGPOJ-QGZVFWFLSA-N 1 1 342.464 3.102 50 0 EGAAMO O=C(CCC(=O)c1ccccc1)N[C@@H]1CC[N@@H+](Cc2ccsc2)C1 ZINC000618256414 1298098737 /nfs/dbraw/zinc/09/87/37/1298098737.db2.gz HMSZMWLGQMGPOJ-QGZVFWFLSA-N 1 1 342.464 3.102 50 0 EGAAMO COc1cc(C(=O)N[C@H]2CCC[N@@H+](Cc3cccs3)C2)ccc1F ZINC000824594335 1320268583 /nfs/dbraw/zinc/26/85/83/1320268583.db2.gz XEWOOHOKRWACGN-AWEZNQCLSA-N 1 1 348.443 3.290 50 0 EGAAMO CCOc1ccnc(N[C@@H]2CCC[N@@H+](Cc3ccccc3F)C2)n1 ZINC000952864126 1334583047 /nfs/dbraw/zinc/58/30/47/1334583047.db2.gz IJHZGXXPDOMSOU-OAHLLOKOSA-N 1 1 330.407 3.091 50 0 EGAAMO CC[C@@H](C(=O)N(Cc1ccc(O)cc1)Cc1cccnc1)[N@@H+](C)CC ZINC000952871922 1334583494 /nfs/dbraw/zinc/58/34/94/1334583494.db2.gz GYRRIVXEQQFCFO-IBGZPJMESA-N 1 1 341.455 3.046 50 0 EGAAMO C[N@@H+](CC(=O)Nc1ccccc1OC[C@@H]1CCCO1)C1CCCC1 ZINC000952990277 1334632317 /nfs/dbraw/zinc/63/23/17/1334632317.db2.gz HSMUSVCDMZJCPX-INIZCTEOSA-N 1 1 332.444 3.057 50 0 EGAAMO Cc1cc(C(F)(F)F)cc(N[C@@H]2COC[C@H]2Cc2ccncc2)[nH+]1 ZINC001704299520 1416432960 /nfs/dbraw/zinc/43/29/60/1416432960.db2.gz RAQDOOGPHJDRKC-UKRRQHHQSA-N 1 1 337.345 3.473 50 0 EGAAMO CC[C@@]1(O)CCC[C@@H]2C[N@@H+](Cc3ccc(F)c(OC)c3F)C[C@@H]21 ZINC001704339656 1416449024 /nfs/dbraw/zinc/44/90/24/1416449024.db2.gz VIYBWAULDSFAGD-UVBSCNOISA-N 1 1 325.399 3.346 50 0 EGAAMO CC(C)COc1cccc(C[N@@H+](C)[C@@H]2C[C@@H]3CC(=O)N(C)C[C@@H]3C2)c1 ZINC001704340861 1416449105 /nfs/dbraw/zinc/44/91/05/1416449105.db2.gz VUDPUBCAWOAYBZ-CEXWTWQISA-N 1 1 344.499 3.410 50 0 EGAAMO CC(C)=CCC[C@H](C)[N@H+]1CCCN(C(=O)c2cn(C)nc2C)CC1 ZINC001772816567 1441417653 /nfs/dbraw/zinc/41/76/53/1441417653.db2.gz VFYCNHCCZOXSQE-INIZCTEOSA-N 1 1 332.492 3.011 50 0 EGAAMO O=C(Cc1csc(-c2ccccc2)n1)N[C@H]1CCC[N@H+]2CCC[C@@H]12 ZINC001772818763 1441417674 /nfs/dbraw/zinc/41/76/74/1441417674.db2.gz YDBBZSVZMHNFCO-IRXDYDNUSA-N 1 1 341.480 3.096 50 0 EGAAMO Cc1c2cc(Cl)ccc2[nH]c1C[N@@H+]1C[C@H]2CCC[C@@H](C1)NC2=O ZINC000097674270 219045619 /nfs/dbraw/zinc/04/56/19/219045619.db2.gz HZAIDZUBIZMBMB-OCCSQVGLSA-N 1 1 331.847 3.230 50 0 EGAAMO CCOc1cc(C[NH+]2CCN(c3ccc(F)cc3)CC2)ccc1O ZINC000055543301 214328438 /nfs/dbraw/zinc/32/84/38/214328438.db2.gz QKCCUQNRGHINNA-UHFFFAOYSA-N 1 1 330.403 3.252 50 0 EGAAMO COc1cc(C[NH+]2CCN(c3cccc(C)c3C)CC2)ccc1O ZINC000055543805 214328756 /nfs/dbraw/zinc/32/87/56/214328756.db2.gz MLVUMADMEBUWAD-UHFFFAOYSA-N 1 1 326.440 3.340 50 0 EGAAMO O=C(OC[C@@H]1CCC[N@H+]2CCCC[C@H]12)c1cc2ccccc2oc1=O ZINC000004334883 210172898 /nfs/dbraw/zinc/17/28/98/210172898.db2.gz RSECRXHUBSWNPG-DOTOQJQBSA-N 1 1 341.407 3.214 50 0 EGAAMO CCC(=O)Nc1ccc(Nc2cc(C)[nH+]c(N3CCCC3)n2)cc1 ZINC000067621064 215168538 /nfs/dbraw/zinc/16/85/38/215168538.db2.gz QJLCILYMYVLQJG-UHFFFAOYSA-N 1 1 325.416 3.477 50 0 EGAAMO Cc1c2ccccc2[nH]c1C[N@@H+]1CC[C@H](CNC(=O)NC(C)C)C1 ZINC000067726806 215195798 /nfs/dbraw/zinc/19/57/98/215195798.db2.gz LFXOKILFWXRMBG-OAHLLOKOSA-N 1 1 328.460 3.006 50 0 EGAAMO Cc1cc(F)ccc1C[N@H+]1CC[C@@H](c2ccc3c(c2)OCO3)[C@H](O)C1 ZINC000067784824 215211058 /nfs/dbraw/zinc/21/10/58/215211058.db2.gz UUOWTNHAKMTTNO-ZWKOTPCHSA-N 1 1 343.398 3.213 50 0 EGAAMO O=C(NC[C@@H]1CCC[N@@H+](Cc2ccco2)C1)c1ccc2cc[nH]c2c1 ZINC000067851019 215232082 /nfs/dbraw/zinc/23/20/82/215232082.db2.gz VHPWEHZIDDRIKG-HNNXBMFYSA-N 1 1 337.423 3.403 50 0 EGAAMO Cc1noc(C)c1NC(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2F)C1 ZINC000067934832 215253519 /nfs/dbraw/zinc/25/35/19/215253519.db2.gz HNKCCBZBBWGOQF-AWEZNQCLSA-N 1 1 346.406 3.074 50 0 EGAAMO COc1ccc(CN2CC[N@@H+](C3CCCC3)[C@H](CCO)C2)c(C)c1C ZINC000039543745 213239856 /nfs/dbraw/zinc/23/98/56/213239856.db2.gz YSCOMDWJVGMPPY-HXUWFJFHSA-N 1 1 346.515 3.123 50 0 EGAAMO Cc1ccc(CN2CC[N@@H+](CCc3ccccc3)[C@H](CCO)C2)s1 ZINC000039508480 213238065 /nfs/dbraw/zinc/23/80/65/213238065.db2.gz KQHMPKJXLOTSIT-LJQANCHMSA-N 1 1 344.524 3.168 50 0 EGAAMO Cc1ccc(C[N@@H+]2CCN(CCc3ccccc3)[C@H](CCO)C2)s1 ZINC000039508480 213238068 /nfs/dbraw/zinc/23/80/68/213238068.db2.gz KQHMPKJXLOTSIT-LJQANCHMSA-N 1 1 344.524 3.168 50 0 EGAAMO Cc1ccc(C[N@H+]2CCN(CCc3ccccc3)[C@H](CCO)C2)s1 ZINC000039508480 213238071 /nfs/dbraw/zinc/23/80/71/213238071.db2.gz KQHMPKJXLOTSIT-LJQANCHMSA-N 1 1 344.524 3.168 50 0 EGAAMO CN(C(=O)NCc1ccco1)[C@@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000072129378 216019008 /nfs/dbraw/zinc/01/90/08/216019008.db2.gz IRQGUQDMNCDIFH-MRXNPFEDSA-N 1 1 345.418 3.225 50 0 EGAAMO CN(C(=O)NCc1ccco1)[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000072129378 216019012 /nfs/dbraw/zinc/01/90/12/216019012.db2.gz IRQGUQDMNCDIFH-MRXNPFEDSA-N 1 1 345.418 3.225 50 0 EGAAMO CCNC(=O)C[N@H+]1CCC[C@H](CCc2cccc(C(F)(F)F)c2)C1 ZINC000072153701 216042702 /nfs/dbraw/zinc/04/27/02/216042702.db2.gz BTLWXAXUJOAKDD-OAHLLOKOSA-N 1 1 342.405 3.486 50 0 EGAAMO Cc1cc2nc(-c3ccccc3)cc(N(C)CCn3cc[nH+]c3C)n2n1 ZINC000072423735 216213301 /nfs/dbraw/zinc/21/33/01/216213301.db2.gz GGCNUGULLCXESA-UHFFFAOYSA-N 1 1 346.438 3.346 50 0 EGAAMO CC(C)=CCC[N@H+]1CCC[C@H](c2cc(N3CCOCC3)nc(C)n2)C1 ZINC000072440796 216234945 /nfs/dbraw/zinc/23/49/45/216234945.db2.gz SIRYFJGOHCQXJH-SFHVURJKSA-N 1 1 344.503 3.157 50 0 EGAAMO Clc1ccc(-c2noc(CCn3cc[nH+]c3[C@H]3CCOC3)n2)cc1 ZINC000072453439 216240992 /nfs/dbraw/zinc/24/09/92/216240992.db2.gz NUTDSWRHAPOVAE-ZDUSSCGKSA-N 1 1 344.802 3.333 50 0 EGAAMO Cc1cc(C)n([C@H]2CC[N@@H+](Cc3nn(C)c4cccc(Cl)c34)C2)n1 ZINC000215122874 241108612 /nfs/dbraw/zinc/10/86/12/241108612.db2.gz WYOYBWFIVLAMGW-AWEZNQCLSA-N 1 1 343.862 3.487 50 0 EGAAMO Cc1cc(C)n([C@H]2CC[N@H+](Cc3nn(C)c4cccc(Cl)c34)C2)n1 ZINC000215122874 241108617 /nfs/dbraw/zinc/10/86/17/241108617.db2.gz WYOYBWFIVLAMGW-AWEZNQCLSA-N 1 1 343.862 3.487 50 0 EGAAMO Cc1cc(C[N@@H+](C)Cc2c(-c3ccccc3)nc3ncccn23)on1 ZINC000215745789 241143222 /nfs/dbraw/zinc/14/32/22/241143222.db2.gz UBQRABURGXSNLN-UHFFFAOYSA-N 1 1 333.395 3.325 50 0 EGAAMO Cc1cc(C[N@H+](C)Cc2c(-c3ccccc3)nc3ncccn23)on1 ZINC000215745789 241143230 /nfs/dbraw/zinc/14/32/30/241143230.db2.gz UBQRABURGXSNLN-UHFFFAOYSA-N 1 1 333.395 3.325 50 0 EGAAMO Cc1[nH+]ccn1CC1(CNC(=O)c2ccc(-c3ccccc3)n2C)CC1 ZINC000215813324 241146801 /nfs/dbraw/zinc/14/68/01/241146801.db2.gz LBQORQNITAYHBS-UHFFFAOYSA-N 1 1 348.450 3.407 50 0 EGAAMO Cc1cc(C)c(-n2cccn2)c(C[N@H+](C)CCCc2nccn2C)c1 ZINC000216532950 241200755 /nfs/dbraw/zinc/20/07/55/241200755.db2.gz DNFJPXBKQRPSIY-UHFFFAOYSA-N 1 1 337.471 3.287 50 0 EGAAMO C[N@@H+](Cc1cnc(N2CCCC2)s1)C[C@@H]1COc2ccccc2O1 ZINC000215409653 241122039 /nfs/dbraw/zinc/12/20/39/241122039.db2.gz RMVCAROMTPTOBW-CQSZACIVSA-N 1 1 345.468 3.015 50 0 EGAAMO C[N@H+](Cc1cnc(N2CCCC2)s1)C[C@@H]1COc2ccccc2O1 ZINC000215409653 241122043 /nfs/dbraw/zinc/12/20/43/241122043.db2.gz RMVCAROMTPTOBW-CQSZACIVSA-N 1 1 345.468 3.015 50 0 EGAAMO C[N@@H+](CC[C@@H]1CCCCO1)Cc1cnc(NCc2ccccc2)nc1 ZINC000215541658 241132649 /nfs/dbraw/zinc/13/26/49/241132649.db2.gz KRRZMKDKTVRGSD-IBGZPJMESA-N 1 1 340.471 3.480 50 0 EGAAMO COCCn1ccnc1C[N@H+](Cc1ccncc1)C1CCCCC1 ZINC000223094286 241602057 /nfs/dbraw/zinc/60/20/57/241602057.db2.gz SUZMHTOSSQSPLA-UHFFFAOYSA-N 1 1 328.460 3.259 50 0 EGAAMO COCCn1ccnc1C[N@@H+](Cc1ccncc1)C1CCCCC1 ZINC000223094286 241602061 /nfs/dbraw/zinc/60/20/61/241602061.db2.gz SUZMHTOSSQSPLA-UHFFFAOYSA-N 1 1 328.460 3.259 50 0 EGAAMO c1ccc(CN2CCN(CC[N@@H+]3CCC4(CCCC4)C3)CC2)cc1 ZINC000243956787 243035800 /nfs/dbraw/zinc/03/58/00/243035800.db2.gz CDWRUSFCNCGRMD-UHFFFAOYSA-N 1 1 327.516 3.070 50 0 EGAAMO c1ccc(CN2CCN(CC[N@H+]3CCC4(CCCC4)C3)CC2)cc1 ZINC000243956787 243035808 /nfs/dbraw/zinc/03/58/08/243035808.db2.gz CDWRUSFCNCGRMD-UHFFFAOYSA-N 1 1 327.516 3.070 50 0 EGAAMO Cc1nn(C)c(C)c1C[N@@H+](Cc1ccc(-n2cccn2)cc1)C1CC1 ZINC000244633446 243047225 /nfs/dbraw/zinc/04/72/25/243047225.db2.gz GDEVIERIBAEGAG-UHFFFAOYSA-N 1 1 335.455 3.387 50 0 EGAAMO OCC[C@@H]1CN(Cc2cc3ccccc3o2)CC[N@H+]1C1CCCC1 ZINC000020513667 212142604 /nfs/dbraw/zinc/14/26/04/212142604.db2.gz PVDKECYTVXMNLB-GOSISDBHSA-N 1 1 328.456 3.244 50 0 EGAAMO Cc1ccc(C[N@H+]2CCN(Cc3ccc(F)cc3)C[C@@H]2CCO)cc1 ZINC000019837552 212074428 /nfs/dbraw/zinc/07/44/28/212074428.db2.gz JLJKKWXNYPZAHM-NRFANRHFSA-N 1 1 342.458 3.203 50 0 EGAAMO Cc1ccc(CN2CC[N@@H+](Cc3ccccc3C)[C@@H](CCO)C2)s1 ZINC000019781804 212065313 /nfs/dbraw/zinc/06/53/13/212065313.db2.gz RDEMOHPLIHIDJK-IBGZPJMESA-N 1 1 344.524 3.434 50 0 EGAAMO Cc1ccc(C[N@@H+]2CCN(Cc3ccccc3C)[C@@H](CCO)C2)s1 ZINC000019781804 212065317 /nfs/dbraw/zinc/06/53/17/212065317.db2.gz RDEMOHPLIHIDJK-IBGZPJMESA-N 1 1 344.524 3.434 50 0 EGAAMO Cc1ccc(C[N@H+]2CCN(Cc3ccccc3C)[C@@H](CCO)C2)s1 ZINC000019781804 212065320 /nfs/dbraw/zinc/06/53/20/212065320.db2.gz RDEMOHPLIHIDJK-IBGZPJMESA-N 1 1 344.524 3.434 50 0 EGAAMO O=C1C[C@@H]([NH+]2CCCCC2)C(=O)N1c1cc(Cl)cc(Cl)c1 ZINC000019720644 212058097 /nfs/dbraw/zinc/05/80/97/212058097.db2.gz XRTYYLVQODHJOB-CYBMUJFWSA-N 1 1 327.211 3.111 50 0 EGAAMO FC(F)(F)c1ccc(C[NH+]2CCN(Cc3cccnc3)CC2)cc1 ZINC000019361207 212021226 /nfs/dbraw/zinc/02/12/26/212021226.db2.gz NSPUNWYKBWOAIC-UHFFFAOYSA-N 1 1 335.373 3.418 50 0 EGAAMO OCC[C@@H]1CN(Cc2ccc(F)cc2)CC[N@@H+]1Cc1ccc(F)cc1 ZINC000019299921 212012810 /nfs/dbraw/zinc/01/28/10/212012810.db2.gz SICRMBKWPVEXKZ-HXUWFJFHSA-N 1 1 346.421 3.034 50 0 EGAAMO OCC[C@@H]1CN(Cc2ccc(F)cc2)CC[N@H+]1Cc1ccc(F)cc1 ZINC000019299921 212012813 /nfs/dbraw/zinc/01/28/13/212012813.db2.gz SICRMBKWPVEXKZ-HXUWFJFHSA-N 1 1 346.421 3.034 50 0 EGAAMO OCC[C@@H]1C[N@H+](Cc2ccc(F)cc2)CCN1Cc1ccc(F)cc1 ZINC000019299921 212012814 /nfs/dbraw/zinc/01/28/14/212012814.db2.gz SICRMBKWPVEXKZ-HXUWFJFHSA-N 1 1 346.421 3.034 50 0 EGAAMO OCC[C@@H]1C[N@@H+](Cc2ccc(F)cc2)CCN1Cc1ccc(F)cc1 ZINC000019299921 212012816 /nfs/dbraw/zinc/01/28/16/212012816.db2.gz SICRMBKWPVEXKZ-HXUWFJFHSA-N 1 1 346.421 3.034 50 0 EGAAMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@H]1N2C(=O)c1ccn(C(F)F)n1 ZINC000017072068 211953636 /nfs/dbraw/zinc/95/36/36/211953636.db2.gz SPBUKKYCEGEMTD-XJKSGUPXSA-N 1 1 346.381 3.035 50 0 EGAAMO O=C1N(CC2CCCCC2)CCC[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC000012320863 211346473 /nfs/dbraw/zinc/34/64/73/211346473.db2.gz SPJPJTAEGJOEMZ-NRFANRHFSA-N 1 1 341.499 3.476 50 0 EGAAMO Cc1ccc(OCC(=O)N2CC[C@@]3(C2)CCC[N@@H+](CC2CC2)C3)cc1 ZINC000012073365 211287043 /nfs/dbraw/zinc/28/70/43/211287043.db2.gz JSVGCRZVMYVPRA-NRFANRHFSA-N 1 1 342.483 3.098 50 0 EGAAMO CCOC(=O)[C@@]1(Cc2ccccc2)CCC[N@@H+](Cc2[nH]cnc2C)C1 ZINC000011934712 211272732 /nfs/dbraw/zinc/27/27/32/211272732.db2.gz PKXLKSVQUWHYJE-HXUWFJFHSA-N 1 1 341.455 3.106 50 0 EGAAMO COc1ccc(F)c(CN2CCC[C@@]3(CC[N@@H+](CC4CC4)C3)C2=O)c1 ZINC000011933536 211269732 /nfs/dbraw/zinc/26/97/32/211269732.db2.gz OQNVEHSZXHBBIT-FQEVSTJZSA-N 1 1 346.446 3.059 50 0 EGAAMO C[C@]1(c2ccccc2)CCC[N@@H+](Cc2cccc(OCC(N)=O)c2)C1 ZINC000091486864 218013121 /nfs/dbraw/zinc/01/31/21/218013121.db2.gz DXTAINQOXBBSAX-NRFANRHFSA-N 1 1 338.451 3.104 50 0 EGAAMO CC1(C)C[N@@H+](Cc2cnc(NCc3ccccc3)nc2)CC[C@]1(C)O ZINC000091526191 218018032 /nfs/dbraw/zinc/01/80/32/218018032.db2.gz QNGZIVNWYPXCPA-FQEVSTJZSA-N 1 1 340.471 3.072 50 0 EGAAMO COCCn1cc[nH+]c1[C@@H]1CCCN(c2ccc3ccccc3n2)C1 ZINC000091625250 218034741 /nfs/dbraw/zinc/03/47/41/218034741.db2.gz BTWJWQWIZAOJGP-QGZVFWFLSA-N 1 1 336.439 3.462 50 0 EGAAMO COc1ccc(C(=O)N2CCC[C@H]([N@@H+](C)CCc3ccccc3)C2)o1 ZINC000011815871 211249275 /nfs/dbraw/zinc/24/92/75/211249275.db2.gz KWACDSFMUGXLFC-KRWDZBQOSA-N 1 1 342.439 3.067 50 0 EGAAMO CCc1nc(C)sc1C[N@H+]1CC[C@@](O)(C2CCOCC2)[C@H](C)C1 ZINC000091737609 218056442 /nfs/dbraw/zinc/05/64/42/218056442.db2.gz YGBJXPONFWKWOY-ACJLOTCBSA-N 1 1 338.517 3.013 50 0 EGAAMO COc1c(C)cc(C(=O)[C@@H]2CCC[N@H+](C3CCOCC3)C2)cc1C ZINC000011662815 211229294 /nfs/dbraw/zinc/22/92/94/211229294.db2.gz GGIGBGWCBRNNIY-MRXNPFEDSA-N 1 1 331.456 3.386 50 0 EGAAMO CCC[N@H+]1C[C@H]2CC[C@@H]1CN(Cc1ccc(OC)c(OCC)c1)C2 ZINC000091876498 218082225 /nfs/dbraw/zinc/08/22/25/218082225.db2.gz ZPVJPCVUSLTXLS-ZWKOTPCHSA-N 1 1 332.488 3.400 50 0 EGAAMO CCCN1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccc(OC)c(OCC)c1)C2 ZINC000091876498 218082227 /nfs/dbraw/zinc/08/22/27/218082227.db2.gz ZPVJPCVUSLTXLS-ZWKOTPCHSA-N 1 1 332.488 3.400 50 0 EGAAMO CCCN1C[C@H]2CC[C@@H]1C[N@@H+](Cc1ccc(OC)c(OCC)c1)C2 ZINC000091876498 218082228 /nfs/dbraw/zinc/08/22/28/218082228.db2.gz ZPVJPCVUSLTXLS-ZWKOTPCHSA-N 1 1 332.488 3.400 50 0 EGAAMO C[C@H]1CCC[N@@H+](CCn2cc(-c3coc(-c4ccccc4)n3)nn2)C1 ZINC000091974401 218097487 /nfs/dbraw/zinc/09/74/87/218097487.db2.gz NBWKRVCHOYHGJS-HNNXBMFYSA-N 1 1 337.427 3.332 50 0 EGAAMO NC(=O)C[C@H]1CCCC[N@H+]1Cc1ccccc1OCc1ccccc1 ZINC000092588720 218153051 /nfs/dbraw/zinc/15/30/51/218153051.db2.gz HUMPNELPZMVVIA-LJQANCHMSA-N 1 1 338.451 3.496 50 0 EGAAMO c1nc(C2CC[NH+](Cc3cccc(OCc4ccccn4)c3)CC2)n[nH]1 ZINC000093646465 218238608 /nfs/dbraw/zinc/23/86/08/218238608.db2.gz WOXUAWFTXYYPGR-UHFFFAOYSA-N 1 1 349.438 3.158 50 0 EGAAMO Cc1c(Br)ccc(NC(=O)C[NH+]2CCCCC2)c1C ZINC000009096027 211039077 /nfs/dbraw/zinc/03/90/77/211039077.db2.gz DPUPJYHTGCZOTR-UHFFFAOYSA-N 1 1 325.250 3.490 50 0 EGAAMO O=C(NCc1ccc(F)cc1F)[C@@H]1CCC[N@@H+](Cc2ccco2)C1 ZINC000095366047 218298710 /nfs/dbraw/zinc/29/87/10/218298710.db2.gz LTJABVKUEPXGKA-CQSZACIVSA-N 1 1 334.366 3.086 50 0 EGAAMO Cc1cccc(C)c1OCCN(C)C(=O)CC[C@H]1CCCC[N@H+]1C ZINC000095370650 218302645 /nfs/dbraw/zinc/30/26/45/218302645.db2.gz UEFIFNHAKHUPJK-GOSISDBHSA-N 1 1 332.488 3.405 50 0 EGAAMO C[NH+](C)[C@H](C(=O)N(Cc1cccc(O)c1)C1CC1)c1cccc(F)c1 ZINC000095370422 218302854 /nfs/dbraw/zinc/30/28/54/218302854.db2.gz UVERJRLTSWROQR-IBGZPJMESA-N 1 1 342.414 3.325 50 0 EGAAMO Cc1cc(C)nc(CN(C)C(=O)[C@H](c2ccc(F)cc2)[NH+](C)C)c1 ZINC000095370967 218303631 /nfs/dbraw/zinc/30/36/31/218303631.db2.gz XREAOEKPJBPZTC-SFHVURJKSA-N 1 1 329.419 3.099 50 0 EGAAMO CC(C)[C@H]([NH3+])c1nnc(SCC(=O)Nc2cccc(Cl)c2)o1 ZINC000005101137 210390269 /nfs/dbraw/zinc/39/02/69/210390269.db2.gz AZRRNNSJUUVLEM-LBPRGKRZSA-N 1 1 340.836 3.110 50 0 EGAAMO O=c1[nH]c(C[NH+]2CCC(Cc3ccccc3)CC2)nc2ccccc21 ZINC000004952776 210337586 /nfs/dbraw/zinc/33/75/86/210337586.db2.gz JERILFFEDVVFMT-UHFFFAOYSA-N 1 1 333.435 3.378 50 0 EGAAMO CO[C@]12CC[N@@H+](Cc3ncsc3C)[C@H]1C[C@H](OCC1CC1)CC2 ZINC000299779568 258088695 /nfs/dbraw/zinc/08/86/95/258088695.db2.gz UPIDXDYIELHFPU-BPQIPLTHSA-N 1 1 336.501 3.390 50 0 EGAAMO C[C@H]1C[N@@H+](C)CCCN1C(=O)Nc1ccc(OCc2ccco2)cc1 ZINC000299783153 258091333 /nfs/dbraw/zinc/09/13/33/258091333.db2.gz WSAUOJHEQDFOOW-HNNXBMFYSA-N 1 1 343.427 3.417 50 0 EGAAMO CSCc1ccc(C(=O)N[C@H](C)C[N@H+]2CCc3ccccc3C2)o1 ZINC000299784454 258091707 /nfs/dbraw/zinc/09/17/07/258091707.db2.gz TWHLKUYQTVUXPS-CQSZACIVSA-N 1 1 344.480 3.319 50 0 EGAAMO CCOC1CCN(C(=O)[C@H]2C[C@@H](c3ccccc3)[N@H+]3CCC[C@H]23)CC1 ZINC000299785967 258093101 /nfs/dbraw/zinc/09/31/01/258093101.db2.gz SIGXXSNGCSHLDZ-ZCNNSNEGSA-N 1 1 342.483 3.240 50 0 EGAAMO O=c1cc([C@@H]2CCC[N@@H+](Cc3cncn3C3CCCCC3)C2)nc[nH]1 ZINC000299787688 258094425 /nfs/dbraw/zinc/09/44/25/258094425.db2.gz ZKIACHCYYBQRLU-OAHLLOKOSA-N 1 1 341.459 3.264 50 0 EGAAMO Cc1cc(CC(=O)NCC[C@@H]2CCCC[N@H+]2Cc2ccccc2)on1 ZINC000299794252 258099321 /nfs/dbraw/zinc/09/93/21/258099321.db2.gz JOCPVLRARFTFNP-SFHVURJKSA-N 1 1 341.455 3.087 50 0 EGAAMO CNc1nc(C[NH+]2CCC(c3nc4ccccc4n3C)CC2)cs1 ZINC000299800490 258103486 /nfs/dbraw/zinc/10/34/86/258103486.db2.gz WYGSAGWPOTYVTF-UHFFFAOYSA-N 1 1 341.484 3.451 50 0 EGAAMO Cc1ccc2nc(N3CCC([N@H+]4CCC[C@H](O)C4)CC3)cc(C)c2c1 ZINC000055360337 132195000 /nfs/dbraw/zinc/19/50/00/132195000.db2.gz BHBQTGBVARXOGO-SFHVURJKSA-N 1 1 339.483 3.277 50 0 EGAAMO COc1cccc(C(=O)NCC[N@H+]2CC[C@@H](c3ccccc3C)C2)c1 ZINC000240662379 274145003 /nfs/dbraw/zinc/14/50/03/274145003.db2.gz PKNFKKOJNHFPGT-GOSISDBHSA-N 1 1 338.451 3.223 50 0 EGAAMO COc1ccccc1[C@H]1[NH2+]Cc2cc3c(cc2-n2cccc21)OCO3 ZINC000004629045 295414844 /nfs/dbraw/zinc/41/48/44/295414844.db2.gz WEUVCKKOGHCBMV-HXUWFJFHSA-N 1 1 334.375 3.407 50 0 EGAAMO C[C@H](C(=O)N1CCCC1)[N@@H+](CCCO)Cc1cccc2ccccc21 ZINC000244794551 298011550 /nfs/dbraw/zinc/01/15/50/298011550.db2.gz QOUSSSMXJRAXMJ-QGZVFWFLSA-N 1 1 340.467 3.035 50 0 EGAAMO COCC[N@H+](Cc1ccc(F)cc1)C[C@H]1COc2ccccc2O1 ZINC000240500005 455263742 /nfs/dbraw/zinc/26/37/42/455263742.db2.gz NQNSIYHWXLCAAU-KRWDZBQOSA-N 1 1 331.387 3.114 50 0 EGAAMO Cc1[nH+]cn(CC(=O)N2CCC(Oc3ccccc3Cl)CC2)c1C ZINC000240228082 455263905 /nfs/dbraw/zinc/26/39/05/455263905.db2.gz KFUGVGMWKINZNH-UHFFFAOYSA-N 1 1 347.846 3.223 50 0 EGAAMO CC(C)C[N@H+](Cc1cnn(C)c1)Cc1cc(-c2cccnc2)no1 ZINC000244724669 455275445 /nfs/dbraw/zinc/27/54/45/455275445.db2.gz MYHRTEAKUHYNMQ-UHFFFAOYSA-N 1 1 325.416 3.128 50 0 EGAAMO CSCc1noc(C[NH+]2CCC3(C=Cc4ccccc43)CC2)n1 ZINC000244795877 455277052 /nfs/dbraw/zinc/27/70/52/455277052.db2.gz RPAMOUYQRNYRCD-UHFFFAOYSA-N 1 1 327.453 3.493 50 0 EGAAMO Cc1c(C[N@H+]2CCc3ccccc3C2)c(=O)n(-c2ccccc2)n1C ZINC000000217874 452538637 /nfs/dbraw/zinc/53/86/37/452538637.db2.gz BPECTPJPNAYSPH-UHFFFAOYSA-N 1 1 333.435 3.043 50 0 EGAAMO COc1cc2c(cc1OC)[C@@H]1[N@@H+](CC[C@@]1(O)c1ccc(F)cc1)CC2 ZINC000004089745 452793576 /nfs/dbraw/zinc/79/35/76/452793576.db2.gz CHVNLMGGTMLHNX-VQTJNVASSA-N 1 1 343.398 3.034 50 0 biogenic EGAAMO CCCC[N@@H+](C)Cc1c(C)[nH]c2ccc(N3CCOCC3)cc2c1=O ZINC000008717440 453226002 /nfs/dbraw/zinc/22/60/02/453226002.db2.gz JDTHWWGQBNZBNM-UHFFFAOYSA-N 1 1 343.471 3.317 50 0 EGAAMO COc1ccc(F)c(C[N@H+]2CC[C@]3(C2)CCCN(CC2CC2)C3=O)c1 ZINC000012717292 453392586 /nfs/dbraw/zinc/39/25/86/453392586.db2.gz FBEWICNOWISBPM-FQEVSTJZSA-N 1 1 346.446 3.059 50 0 EGAAMO CCCNC(=O)N(C)C[C@H]1CCC[N@@H+](CCc2ccc(F)cc2)C1 ZINC000012703608 453393082 /nfs/dbraw/zinc/39/30/82/453393082.db2.gz BUGMRUYRRPCDEH-QGZVFWFLSA-N 1 1 335.467 3.132 50 0 EGAAMO CC(=O)Nc1ccc(N2CC[NH+](Cc3ccc(F)cc3)CC2)cc1 ZINC000012856861 453414988 /nfs/dbraw/zinc/41/49/88/453414988.db2.gz GBQYBMUMEMFOOJ-UHFFFAOYSA-N 1 1 327.403 3.106 50 0 EGAAMO C[NH+]1CCN(C(=O)C23C[C@@H]4C[C@H](C2)CC(c2ccccc2)(C4)C3)CC1 ZINC000013153244 453450202 /nfs/dbraw/zinc/45/02/02/453450202.db2.gz HEXBCLIICFLVHG-OTXOEQGISA-N 1 1 338.495 3.299 50 0 EGAAMO CCCCOc1ccccc1C(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000013655282 453478881 /nfs/dbraw/zinc/47/88/81/453478881.db2.gz BNTNMOMJOYPZTD-MRXNPFEDSA-N 1 1 330.428 3.491 50 0 EGAAMO CCCn1c(Cn2cc[nH+]c2C)nc2cc(NC(=O)CC)ccc21 ZINC000015669129 453580861 /nfs/dbraw/zinc/58/08/61/453580861.db2.gz DMXOUUILDBZMLL-UHFFFAOYSA-N 1 1 325.416 3.348 50 0 EGAAMO Cc1ccc(-c2cc(C(=O)NC[C@H](c3ccco3)[NH+](C)C)no2)cc1 ZINC000015859728 453587866 /nfs/dbraw/zinc/58/78/66/453587866.db2.gz SDFWGDMFOIUQAA-MRXNPFEDSA-N 1 1 339.395 3.276 50 0 EGAAMO CCCc1cc(C(=O)NC[C@H](c2ccc(F)cc2)[NH+]2CCCC2)no1 ZINC000082115509 453924596 /nfs/dbraw/zinc/92/45/96/453924596.db2.gz OFHYYDWLWNGLEJ-GOSISDBHSA-N 1 1 345.418 3.333 50 0 EGAAMO Cc1ccc(-c2noc(C[N@@H+]3CCC[C@H](c4nccn4C)C3)n2)cc1 ZINC000082121345 453925504 /nfs/dbraw/zinc/92/55/04/453925504.db2.gz SEPCPKDJZLEYAO-INIZCTEOSA-N 1 1 337.427 3.158 50 0 EGAAMO C[N@@H+](Cc1nc2ccccc2s1)[C@@H]1CCOC2(CCOCC2)C1 ZINC000077323120 454091457 /nfs/dbraw/zinc/09/14/57/454091457.db2.gz JNYNJWRKKNMYAU-CQSZACIVSA-N 1 1 332.469 3.456 50 0 EGAAMO c1cnn(CC[C@@H]2CCCC[N@H+]2Cc2cc(-c3ccccn3)no2)c1 ZINC000077355812 454096941 /nfs/dbraw/zinc/09/69/41/454096941.db2.gz HAYUAYAAWQUCNE-INIZCTEOSA-N 1 1 337.427 3.378 50 0 EGAAMO CCCc1cc(N2CCC[C@@]3(CCC(=O)N(C(C)C)C3)C2)nc(C)[nH+]1 ZINC000077379899 454099078 /nfs/dbraw/zinc/09/90/78/454099078.db2.gz MRSJMWMUSJETOD-HXUWFJFHSA-N 1 1 344.503 3.355 50 0 EGAAMO CCOc1ccc(C[N@H+]2CCC[C@@]3(CCC(=O)N(C4CC4)C3)C2)cc1 ZINC000077470540 454110002 /nfs/dbraw/zinc/11/00/02/454110002.db2.gz WQKWDCIRKNUEIU-OAQYLSRUSA-N 1 1 342.483 3.452 50 0 EGAAMO CCCCC[N@H+]1CCC[C@@]2(CCC(=O)N(Cc3cnc(C)cn3)C2)C1 ZINC000077472054 454110128 /nfs/dbraw/zinc/11/01/28/454110128.db2.gz XMAUTWJXCQMFHJ-HXUWFJFHSA-N 1 1 344.503 3.180 50 0 EGAAMO Cc1cc(O)cc(C)c1C[N@H+]1CCC(=O)N(CC2CC2)[C@@H](C(C)C)C1 ZINC000071738902 454211950 /nfs/dbraw/zinc/21/19/50/454211950.db2.gz FCLHLFRPVCIYDG-HXUWFJFHSA-N 1 1 344.499 3.478 50 0 EGAAMO COc1ccc(F)c(-c2nc(C[N@@H+](C)CCc3cn[nH]c3)c(C)o2)c1 ZINC000071755351 454214842 /nfs/dbraw/zinc/21/48/42/454214842.db2.gz ISZOXZUKZGHLIX-UHFFFAOYSA-N 1 1 344.390 3.195 50 0 EGAAMO CC[N@H+]1CCCC[C@H]1CNc1nccc(-c2ccc(C)nc2C)n1 ZINC000071762381 454215359 /nfs/dbraw/zinc/21/53/59/454215359.db2.gz ARSVLHNQYVWRLQ-INIZCTEOSA-N 1 1 325.460 3.442 50 0 EGAAMO CC(C)[N@H+]1CCC[C@@H](C(=O)N2CC(Oc3ccccc3Cl)C2)C1 ZINC000095524847 454227768 /nfs/dbraw/zinc/22/77/68/454227768.db2.gz RIWOTXIUPGBRBD-CQSZACIVSA-N 1 1 336.863 3.050 50 0 EGAAMO O=S1(=O)C[C@](c2ccccc2)([NH+]2CCCC2)[C@H]1c1ccccc1 ZINC000095891444 454231623 /nfs/dbraw/zinc/23/16/23/454231623.db2.gz OPHJQSOZJCCVLO-RTBURBONSA-N 1 1 327.449 3.147 50 0 EGAAMO O=C(NC[C@H]1CCC[N@H+]2CCCC[C@H]12)c1cc(-c2cccs2)n[nH]1 ZINC000096125611 454289690 /nfs/dbraw/zinc/28/96/90/454289690.db2.gz KDFCASYVFGRIMK-CZUORRHYSA-N 1 1 344.484 3.133 50 0 EGAAMO COc1ccc(-c2nc(N)nc3c2C[N@@H+](C[C@@H]2CC=CCC2)C3)cc1 ZINC000065374846 454556475 /nfs/dbraw/zinc/55/64/75/454556475.db2.gz UBIZFEKSDIEQBP-CQSZACIVSA-N 1 1 336.439 3.406 50 0 EGAAMO COc1ccccc1[C@@H]1CCC[N@@H+]1Cc1nnc(-c2cccnc2)o1 ZINC000252501334 455815357 /nfs/dbraw/zinc/81/53/57/455815357.db2.gz UEGSLSSTHJBCEW-INIZCTEOSA-N 1 1 336.395 3.477 50 0 EGAAMO COc1ccccc1[C@@H]1CCC[N@H+]1Cc1nnc(-c2cccnc2)o1 ZINC000252501334 455815360 /nfs/dbraw/zinc/81/53/60/455815360.db2.gz UEGSLSSTHJBCEW-INIZCTEOSA-N 1 1 336.395 3.477 50 0 EGAAMO CC[N@H+]1CCC[C@H]1CNC(=O)C[C@@H](c1ccsc1)n1cccc1 ZINC000263588846 456178262 /nfs/dbraw/zinc/17/82/62/456178262.db2.gz ZEHYKHOEBGWMCH-IRXDYDNUSA-N 1 1 331.485 3.130 50 0 EGAAMO CO[C@]12CC[N@@H+](Cc3ccccc3-c3ccco3)[C@H]1C[C@H](O)CC2 ZINC000299763774 456779052 /nfs/dbraw/zinc/77/90/52/456779052.db2.gz RPDCISPFLGBQCQ-LSTHTHJFSA-N 1 1 327.424 3.451 50 0 EGAAMO COc1ccc(-c2cccc(C(=O)N(C)[C@@H]3CC[N@@H+](C)C3)c2)c(F)c1 ZINC000426487747 457840603 /nfs/dbraw/zinc/84/06/03/457840603.db2.gz ZCYQVKCJNYQIAQ-MRXNPFEDSA-N 1 1 342.414 3.277 50 0 EGAAMO COc1cccc(-c2ccc(C(=O)N3CC[N@H+]4CCC[C@H]4C3)cc2)c1 ZINC000426541398 457851232 /nfs/dbraw/zinc/85/12/32/457851232.db2.gz NQGHRDKRRMQDPE-IBGZPJMESA-N 1 1 336.435 3.282 50 0 EGAAMO CC[C@H](NC(=O)c1ccc(-c2[nH+]c(C)[nH]c2C)cc1)c1cnn(C)c1 ZINC000584895347 459819733 /nfs/dbraw/zinc/81/97/33/459819733.db2.gz SIAAQPSDRRJCCX-KRWDZBQOSA-N 1 1 337.427 3.308 50 0 EGAAMO CC(=O)c1ccc(C(=O)N2CCC[C@@H](Cn3cc[nH+]c3C)C2)s1 ZINC000584903689 459821440 /nfs/dbraw/zinc/82/14/40/459821440.db2.gz KTXBTSQNXKVHQI-AWEZNQCLSA-N 1 1 331.441 3.008 50 0 EGAAMO CCOc1ccccc1C(=O)N1CCC[N@H+](C2CCSCC2)CC1 ZINC000575616272 459985736 /nfs/dbraw/zinc/98/57/36/459985736.db2.gz MSNUYLLXICDRKZ-UHFFFAOYSA-N 1 1 348.512 3.129 50 0 EGAAMO CC(C)(O)CCc1ccc(C[N@@H+]2CCO[C@@H](c3cccnc3)C2)cc1 ZINC000215097695 535295080 /nfs/dbraw/zinc/29/50/80/535295080.db2.gz LYNKOMVLFBDIRQ-HXUWFJFHSA-N 1 1 340.467 3.359 50 0 EGAAMO CC(C)(O)CCc1ccc(C[N@H+]2CCO[C@@H](c3cccnc3)C2)cc1 ZINC000215097695 535295088 /nfs/dbraw/zinc/29/50/88/535295088.db2.gz LYNKOMVLFBDIRQ-HXUWFJFHSA-N 1 1 340.467 3.359 50 0 EGAAMO CCCc1ccc(CN2CC[NH+](Cc3ccccc3CO)CC2)o1 ZINC000215637014 535416653 /nfs/dbraw/zinc/41/66/53/535416653.db2.gz VONMKXFJSGJLAI-UHFFFAOYSA-N 1 1 328.456 3.042 50 0 EGAAMO C[C@H]1C[C@H](NCc2ccc3c(c2)OCCO3)C[N@@H+]1Cc1ccccc1 ZINC000237718482 547258639 /nfs/dbraw/zinc/25/86/39/547258639.db2.gz MIXXOAYDBCWWDA-LPHOPBHVSA-N 1 1 338.451 3.210 50 0 EGAAMO COc1ccc(-n2ccnc2C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](OC)C3)cc1 ZINC000670446567 548217356 /nfs/dbraw/zinc/21/73/56/548217356.db2.gz QOILAMGEWVMCQO-VQFNDLOPSA-N 1 1 327.428 3.023 50 0 EGAAMO CN(C(=O)C[N@H+](C)Cc1ccc2ncccc2c1)C1CCCCC1 ZINC000678138412 549407675 /nfs/dbraw/zinc/40/76/75/549407675.db2.gz GQASQDXZDNJKTM-UHFFFAOYSA-N 1 1 325.456 3.458 50 0 EGAAMO CN(C(=O)C[N@@H+](C)Cc1ccc2ncccc2c1)C1CCCCC1 ZINC000678138412 549407677 /nfs/dbraw/zinc/40/76/77/549407677.db2.gz GQASQDXZDNJKTM-UHFFFAOYSA-N 1 1 325.456 3.458 50 0 EGAAMO CN(C(=O)CCC(F)(F)F)[C@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000012297183 1291132186 /nfs/dbraw/zinc/13/21/86/1291132186.db2.gz YRFCVFYFURKWKJ-INIZCTEOSA-N 1 1 342.405 3.494 50 0 EGAAMO Cc1ncc(C[NH2+]Cc2cccnc2N(C)C2CCCCC2)n1C ZINC000015063926 1291146241 /nfs/dbraw/zinc/14/62/41/1291146241.db2.gz ZZUREDNOHHLPEI-UHFFFAOYSA-N 1 1 327.476 3.182 50 0 EGAAMO O=C(N[C@@H]1CC[N@@H+](Cc2ccsc2)C1)c1cc2ccccc2[nH]1 ZINC000618256735 1298100252 /nfs/dbraw/zinc/10/02/52/1298100252.db2.gz LXYNDXFGCXFDLN-OAHLLOKOSA-N 1 1 325.437 3.234 50 0 EGAAMO Cc1cc(NC(=O)CC[C@H]2CCCC[N@@H+]2C)ccc1N1CCCC1=O ZINC000952870414 1334583451 /nfs/dbraw/zinc/58/34/51/1334583451.db2.gz ZXJDKXVYPQOHLU-QGZVFWFLSA-N 1 1 343.471 3.325 50 0 EGAAMO c1csc(CN2CCC[N@H+](C3CSCCSC3)CC2)c1 ZINC000952960541 1334625219 /nfs/dbraw/zinc/62/52/19/1334625219.db2.gz PCAJZPOKDOJCPK-UHFFFAOYSA-N 1 1 328.572 3.104 50 0 EGAAMO NC(=O)CC[C@@H]1CCC[N@@H+](Cc2cc3ccc(Cl)cc3[nH]c2=O)C1 ZINC000952967169 1334626540 /nfs/dbraw/zinc/62/65/40/1334626540.db2.gz AAOOGQNZUJQNHK-LBPRGKRZSA-N 1 1 347.846 3.071 50 0 EGAAMO C[N@@H+](CC(=O)Nc1ccc(OC[C@H]2CCCCO2)cc1)C1CCCC1 ZINC000952967715 1334627279 /nfs/dbraw/zinc/62/72/79/1334627279.db2.gz MFRCGDZNHHMSSR-LJQANCHMSA-N 1 1 346.471 3.447 50 0 EGAAMO CCC(CC)(CO)CN(C)C(=O)CC[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000952971949 1334627485 /nfs/dbraw/zinc/62/74/85/1334627485.db2.gz GWYXNBQZCDAYKX-ZWKOTPCHSA-N 1 1 338.536 3.288 50 0 EGAAMO O=C(CN1CCCCCC1)Nc1ccccc1C[NH+]1CCCCC1 ZINC000952973977 1334627968 /nfs/dbraw/zinc/62/79/68/1334627968.db2.gz CDIAZXALJSEPJH-UHFFFAOYSA-N 1 1 329.488 3.487 50 0 EGAAMO CNc1cc[nH+]c(N2CCC3(CC2)OCCc2c4ccccc4[nH]c23)n1 ZINC001704337578 1416448928 /nfs/dbraw/zinc/44/89/28/1416448928.db2.gz AMWCSMGPKLTTPZ-UHFFFAOYSA-N 1 1 349.438 3.068 50 0 EGAAMO C[N@@H+](CCC1CCOCC1)CC(=O)Nc1ccc(Cl)cc1F ZINC001704348513 1416451821 /nfs/dbraw/zinc/45/18/21/1416451821.db2.gz WOQXXUBYIXMGQS-UHFFFAOYSA-N 1 1 328.815 3.166 50 0 EGAAMO Cc1cccn2cc(C[NH+]3CCC(OCc4ccccn4)CC3)nc12 ZINC001704350765 1416452703 /nfs/dbraw/zinc/45/27/03/1416452703.db2.gz QUXRVUBKSMSXSO-UHFFFAOYSA-N 1 1 336.439 3.219 50 0 EGAAMO Cc1nc2c(c(C)n1)C[C@@H](C[N@H+](C)Cc1cc3cc(F)ccc3[nH]1)O2 ZINC001704352447 1416453360 /nfs/dbraw/zinc/45/33/60/1416453360.db2.gz ZBYOEYQWEDXXGI-INIZCTEOSA-N 1 1 340.402 3.149 50 0 EGAAMO CCCN1C(=O)[C@H]2CC[C@@H]1C[N@H+](Cc1cc3c(cc1OC)CCC3)C2 ZINC001704353645 1416453820 /nfs/dbraw/zinc/45/38/20/1416453820.db2.gz QJTCJUHEHNQMNC-PKOBYXMFSA-N 1 1 342.483 3.017 50 0 EGAAMO Cc1ccnc(C[C@@H](C)N(C)C(=O)C[N@H+](C)Cc2ccc(F)cc2)c1 ZINC001704353786 1416453862 /nfs/dbraw/zinc/45/38/62/1416453862.db2.gz LSKSTGYYYQVNQQ-MRXNPFEDSA-N 1 1 343.446 3.051 50 0 EGAAMO Cc1ccnc(C[C@@H](C)N(C)C(=O)C[N@@H+](C)Cc2ccc(F)cc2)c1 ZINC001704353786 1416453864 /nfs/dbraw/zinc/45/38/64/1416453864.db2.gz LSKSTGYYYQVNQQ-MRXNPFEDSA-N 1 1 343.446 3.051 50 0 EGAAMO Cc1csc(C[N@@H+]2C[C@@H](Cc3ccnc4ccccc34)[C@H](O)C2)n1 ZINC001704358186 1416455349 /nfs/dbraw/zinc/45/53/49/1416455349.db2.gz DUMDNYXBPNQWHT-CRAIPNDOSA-N 1 1 339.464 3.035 50 0 EGAAMO C[C@@H]1C(=O)N2CCC[C@@H]2C[N@H+]1Cc1ccc2c(c1)Cc1ccccc1-2 ZINC001772710697 1441417231 /nfs/dbraw/zinc/41/72/31/1441417231.db2.gz ZOMKZLJDJNLXKP-DNVCBOLYSA-N 1 1 332.447 3.453 50 0 EGAAMO C[C@@H]1C(=O)N2CCC[C@@H]2C[N@@H+]1Cc1ccc2c(c1)Cc1ccccc1-2 ZINC001772710697 1441417232 /nfs/dbraw/zinc/41/72/32/1441417232.db2.gz ZOMKZLJDJNLXKP-DNVCBOLYSA-N 1 1 332.447 3.453 50 0 EGAAMO Cc1c(C(=O)N2C[C@H]3CC[C@@H]2C[N@@H+](C)C3)[nH]c2c1c(C)ccc2C ZINC000097711671 219049925 /nfs/dbraw/zinc/04/99/25/219049925.db2.gz HDDOQRCYOVXLNP-JKSUJKDBSA-N 1 1 325.456 3.259 50 0 EGAAMO O=C(NCC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc(Cl)c[nH]1 ZINC000097743674 219053298 /nfs/dbraw/zinc/05/32/98/219053298.db2.gz DYDPTGNXQMRTQW-OAHLLOKOSA-N 1 1 331.847 3.310 50 0 EGAAMO CCCC(=O)Nc1cccc(C(=O)NC[C@@H]2CCC[N@H+](CCC)C2)c1 ZINC000055088588 214271269 /nfs/dbraw/zinc/27/12/69/214271269.db2.gz KYAHTPJVJAAZKR-INIZCTEOSA-N 1 1 345.487 3.277 50 0 EGAAMO CCCSc1ncc(C[NH2+]Cc2cc(-c3cccnc3)no2)cn1 ZINC000055099374 214271769 /nfs/dbraw/zinc/27/17/69/214271769.db2.gz XIHHHCJRSKCZSQ-UHFFFAOYSA-N 1 1 341.440 3.319 50 0 EGAAMO CC(C)C[C@@H]([NH2+]Cc1c[nH]nc1-c1ccc(F)cc1)c1ncnn1C ZINC000055154533 214280527 /nfs/dbraw/zinc/28/05/27/214280527.db2.gz BPUOUBVKEVIWRJ-MRXNPFEDSA-N 1 1 342.422 3.221 50 0 EGAAMO CC[C@@H](CO)[N@@H+](Cc1ccco1)Cc1cccc(Cn2cccn2)c1 ZINC000055271630 214299293 /nfs/dbraw/zinc/29/92/93/214299293.db2.gz PBHMQQIZKNQOPD-IBGZPJMESA-N 1 1 339.439 3.298 50 0 EGAAMO Cc1ccsc1[C@@H]1CC[N@@H+](Cc2ccc(-c3cc[nH]n3)o2)C[C@H]1O ZINC000067513572 215155731 /nfs/dbraw/zinc/15/57/31/215155731.db2.gz USKKSPKVDDOFSR-GDBMZVCRSA-N 1 1 343.452 3.390 50 0 EGAAMO CC[C@@H]1C=CCN1C(=O)c1cc(C[N@@H+](C)CCc2ccccc2)on1 ZINC000067754768 215203711 /nfs/dbraw/zinc/20/37/11/215203711.db2.gz MYSCHJUMOQCXHY-QGZVFWFLSA-N 1 1 339.439 3.140 50 0 EGAAMO CC(C)[C@H](C)N(C)C(=O)c1cc(C[N@@H+](C)CCc2ccccc2)on1 ZINC000067726054 215196766 /nfs/dbraw/zinc/19/67/66/215196766.db2.gz HFNWHGOYEMUMRY-INIZCTEOSA-N 1 1 343.471 3.466 50 0 EGAAMO C[C@@H](O)C[N@H+]1CCc2[nH]nc(-c3ccc(-c4ccccc4)cc3)c2C1 ZINC000067818759 215221804 /nfs/dbraw/zinc/22/18/04/215221804.db2.gz NXQNDOQDAVRJHN-OAHLLOKOSA-N 1 1 333.435 3.483 50 0 EGAAMO CC(C)[N@@H+]1CCC[C@@H](CN(C)Cc2cc3ccccc3[nH]c2=O)C1 ZINC000067821539 215223549 /nfs/dbraw/zinc/22/35/49/215223549.db2.gz MJKQIOVSTAGHOB-INIZCTEOSA-N 1 1 327.472 3.080 50 0 EGAAMO CC(C)[N@H+]1CCC[C@@H](CN(C)Cc2cc3ccccc3[nH]c2=O)C1 ZINC000067821539 215223551 /nfs/dbraw/zinc/22/35/51/215223551.db2.gz MJKQIOVSTAGHOB-INIZCTEOSA-N 1 1 327.472 3.080 50 0 EGAAMO CC(=O)NC[C@H]1CCC[N@@H+](Cc2c[nH]nc2-c2ccc(Cl)cc2)C1 ZINC000067834343 215223994 /nfs/dbraw/zinc/22/39/94/215223994.db2.gz PHFMCKHSXURPFO-CQSZACIVSA-N 1 1 346.862 3.078 50 0 EGAAMO CC[C@@H](O)C[N@H+]1CCOc2c(O)cc(-c3ccccc3C)cc2C1 ZINC000067909832 215248921 /nfs/dbraw/zinc/24/89/21/215248921.db2.gz UGEIXLZJAMEVGE-QGZVFWFLSA-N 1 1 327.424 3.333 50 0 EGAAMO CC(C)[N@H+]1CCC[C@@H](CCNC(=O)Cc2c[nH]c3ccccc23)C1 ZINC000067973647 215263962 /nfs/dbraw/zinc/26/39/62/215263962.db2.gz BUEDIQQIVWFUCY-INIZCTEOSA-N 1 1 327.472 3.337 50 0 EGAAMO COc1ccc(CN2CC[N@@H+](CC(C)(C)C)C[C@H]2CCO)c(C)c1C ZINC000104304327 219373326 /nfs/dbraw/zinc/37/33/26/219373326.db2.gz HQMAHIONGBDGED-LJQANCHMSA-N 1 1 348.531 3.227 50 0 EGAAMO Cc1ccc([C@@H](CNC(=O)c2c(F)cccc2F)[NH+]2CCCC2)o1 ZINC000069389540 215397947 /nfs/dbraw/zinc/39/79/47/215397947.db2.gz MDLUJINXKRCZQX-OAHLLOKOSA-N 1 1 334.366 3.433 50 0 EGAAMO O=C(C[N@@H+]1CCC[C@@H](Nc2ccc(F)cc2)C1)N1CCCCCC1 ZINC000072121576 216013364 /nfs/dbraw/zinc/01/33/64/216013364.db2.gz VZOIVYIJPYBVRU-GOSISDBHSA-N 1 1 333.451 3.105 50 0 EGAAMO Cc1nnsc1C[N@H+]1CC[C@@](O)(c2ccccc2)[C@H]2CCCC[C@@H]21 ZINC000072143690 216028547 /nfs/dbraw/zinc/02/85/47/216028547.db2.gz SNRLLWRUZHIHJR-JENIJYKNSA-N 1 1 343.496 3.499 50 0 EGAAMO O[C@H]1C[C@H]2C[N@H+](Cc3cccc4c5ccccc5oc43)C[C@H]2C[C@@H]1O ZINC000072143397 216029413 /nfs/dbraw/zinc/02/94/13/216029413.db2.gz OUZRFTXSUDVJSZ-QXGSTGNESA-N 1 1 337.419 3.150 50 0 EGAAMO CCCn1ccnc1CN1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000072151727 216039367 /nfs/dbraw/zinc/03/93/67/216039367.db2.gz SVTIUTDHDCYOEA-UHFFFAOYSA-N 1 1 330.451 3.140 50 0 EGAAMO Cc1ccc(N2CCC([N@@H+]3CCn4cncc4C3)CC2)cc1Cl ZINC000072152732 216040918 /nfs/dbraw/zinc/04/09/18/216040918.db2.gz VFRPCQIRDYDCBM-UHFFFAOYSA-N 1 1 330.863 3.330 50 0 EGAAMO Cc1ccc(N2CCC([N@H+]3CCn4cncc4C3)CC2)cc1Cl ZINC000072152732 216040921 /nfs/dbraw/zinc/04/09/21/216040921.db2.gz VFRPCQIRDYDCBM-UHFFFAOYSA-N 1 1 330.863 3.330 50 0 EGAAMO OCCOCC[N@H+]1CCC[C@H](CCc2cccc(C(F)(F)F)c2)C1 ZINC000072153533 216042759 /nfs/dbraw/zinc/04/27/59/216042759.db2.gz OKDFFLWXXZECTG-MRXNPFEDSA-N 1 1 345.405 3.359 50 0 EGAAMO OC[C@@]1(O)CCC[N@@H+](Cc2ccc(Oc3ccccc3)cc2)CC1 ZINC000072166785 216055194 /nfs/dbraw/zinc/05/51/94/216055194.db2.gz FRGIOGQLCZNOLY-HXUWFJFHSA-N 1 1 327.424 3.188 50 0 EGAAMO O=C(C1CCC1)N1C[C@@H](c2cc(F)cc(F)c2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000072169364 216061009 /nfs/dbraw/zinc/06/10/09/216061009.db2.gz NYUNVIVOZVGGKL-IPMKNSEASA-N 1 1 346.421 3.154 50 0 EGAAMO COCCn1cncc1C[N@@H+]1CCCC[C@H]1c1cccc(OC)c1 ZINC000072172414 216063449 /nfs/dbraw/zinc/06/34/49/216063449.db2.gz TUUNYDYXQGFXOP-IBGZPJMESA-N 1 1 329.444 3.265 50 0 EGAAMO COCCn1cncc1C[N@H+]1CCCC[C@H]1c1cccc(OC)c1 ZINC000072172414 216063451 /nfs/dbraw/zinc/06/34/51/216063451.db2.gz TUUNYDYXQGFXOP-IBGZPJMESA-N 1 1 329.444 3.265 50 0 EGAAMO CCCc1cc(N[C@@H]2CC(=O)N(Cc3ccc(F)cc3)C2)nc(C)[nH+]1 ZINC000072173918 216064929 /nfs/dbraw/zinc/06/49/29/216064929.db2.gz NKRBHBAFONDTKY-QGZVFWFLSA-N 1 1 342.418 3.090 50 0 EGAAMO CC(C)C(=O)N1C[C@H](c2cc(F)cc(F)c2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000072168779 216059182 /nfs/dbraw/zinc/05/91/82/216059182.db2.gz ISYYKZLBGMLUGJ-KZNAEPCWSA-N 1 1 334.410 3.009 50 0 EGAAMO Fc1ccccc1C[N@H+]1CCC[C@@]2(CCN(c3cnccn3)C2)C1 ZINC000072463486 216245491 /nfs/dbraw/zinc/24/54/91/216245491.db2.gz PKROZYCEDVFXDL-LJQANCHMSA-N 1 1 326.419 3.108 50 0 EGAAMO c1cc2cc(CN3CC[NH+](CCOc4ccccc4)CC3)ccc2[nH]1 ZINC000072478867 216258905 /nfs/dbraw/zinc/25/89/05/216258905.db2.gz ADFDRNJHJNESKQ-UHFFFAOYSA-N 1 1 335.451 3.365 50 0 EGAAMO OCC[C@H]1CN(Cc2cc(F)cc(F)c2)CC[N@H+]1C1CCCCC1 ZINC000023361184 212370638 /nfs/dbraw/zinc/37/06/38/212370638.db2.gz NHGXIAAIBRLDKU-IBGZPJMESA-N 1 1 338.442 3.166 50 0 EGAAMO O=C(NC[C@H](c1cccs1)[N@@H+]1CCc2ccccc2C1)C1CC1 ZINC000022907732 212332347 /nfs/dbraw/zinc/33/23/47/212332347.db2.gz GHHQQJRJPCLYSD-QGZVFWFLSA-N 1 1 326.465 3.374 50 0 EGAAMO O=C(NC[C@H](c1cccs1)[N@H+]1CCc2ccccc2C1)C1CC1 ZINC000022907732 212332350 /nfs/dbraw/zinc/33/23/50/212332350.db2.gz GHHQQJRJPCLYSD-QGZVFWFLSA-N 1 1 326.465 3.374 50 0 EGAAMO COc1ccccc1/C=C/CN1CC[N@@H+](CC(C)(C)C)[C@@H](CCO)C1 ZINC000022852092 212329692 /nfs/dbraw/zinc/32/96/92/212329692.db2.gz RAENIIROEBGIHH-XSBJJCPUSA-N 1 1 346.515 3.123 50 0 EGAAMO COC[C@@H]1CC[N@@H+](Cc2cnc(SCc3ccccc3)nc2)C1 ZINC000216486273 241194706 /nfs/dbraw/zinc/19/47/06/241194706.db2.gz QJBOSSGAEBCUAM-MRXNPFEDSA-N 1 1 329.469 3.237 50 0 EGAAMO Cc1c[nH]c(C[N@H+]2CC[C@@](O)(c3ccccc3)[C@H]3CCCC[C@H]32)n1 ZINC000216548586 241201307 /nfs/dbraw/zinc/20/13/07/241201307.db2.gz YXJDIILVUBCUCS-NLWGTHIKSA-N 1 1 325.456 3.370 50 0 EGAAMO CCc1nc(C)c(CNC(=O)C[N@H+]2CC[C@@H](c3ccccc3)C2)s1 ZINC000219484902 241390216 /nfs/dbraw/zinc/39/02/16/241390216.db2.gz JAUVNNNHDMCJKB-MRXNPFEDSA-N 1 1 343.496 3.120 50 0 EGAAMO C[C@@H](CNC(=O)c1cc(-c2ccccc2)on1)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000227156130 242122651 /nfs/dbraw/zinc/12/26/51/242122651.db2.gz GDTCFWJCTOGKOL-XHSDSOJGSA-N 1 1 341.455 3.438 50 0 EGAAMO CC[C@H]1CCCC[N@H+]1CC(=O)N(C)Cc1cccc2cnccc21 ZINC000244601935 243043225 /nfs/dbraw/zinc/04/32/25/243043225.db2.gz DUQVGVHSCMSWRS-SFHVURJKSA-N 1 1 325.456 3.458 50 0 EGAAMO Cc1ccnn1CC[N@H+]1CCC[C@@H](c2nc(-c3ccccc3)no2)C1 ZINC000244874337 243093182 /nfs/dbraw/zinc/09/31/82/243093182.db2.gz WZPNNBXLGWADRQ-QGZVFWFLSA-N 1 1 337.427 3.121 50 0 EGAAMO O=C(NCCC[NH+]1CCOCC1)c1cc2c(ccc3ccccc23)o1 ZINC000020405819 212125624 /nfs/dbraw/zinc/12/56/24/212125624.db2.gz IRZRVKQGMKQLHF-UHFFFAOYSA-N 1 1 338.407 3.038 50 0 EGAAMO COc1ccc(NC(=O)N2CC[NH+](Cc3ccc(C)cc3)CC2)cc1 ZINC000020367170 212123653 /nfs/dbraw/zinc/12/36/53/212123653.db2.gz AOETYRYQKHHBRC-UHFFFAOYSA-N 1 1 339.439 3.353 50 0 EGAAMO C[NH+]1CCN(CC(=O)c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)CC1 ZINC000020234445 212114036 /nfs/dbraw/zinc/11/40/36/212114036.db2.gz PCNPGKCFRGTLHU-UHFFFAOYSA-N 1 1 346.515 3.417 50 0 EGAAMO Cc1ccc(-c2ccnc(N3CCC[C@H](c4[nH]cc[nH+]4)C3)n2)c(C)n1 ZINC000077407008 216896392 /nfs/dbraw/zinc/89/63/92/216896392.db2.gz YKRBKRZFPAJPEE-HNNXBMFYSA-N 1 1 334.427 3.263 50 0 EGAAMO COc1cccc(CNCC[NH+](C)C)c1OCc1ccccc1F ZINC000019872098 212077200 /nfs/dbraw/zinc/07/72/00/212077200.db2.gz SFKKIJHTIVNQMC-UHFFFAOYSA-N 1 1 332.419 3.065 50 0 EGAAMO Cc1cccc(C[NH+]2CCN(C(=O)COc3cccc(C)c3)CC2)c1 ZINC000019842013 212075246 /nfs/dbraw/zinc/07/52/46/212075246.db2.gz QNEHJLKMAFDESM-UHFFFAOYSA-N 1 1 338.451 3.027 50 0 EGAAMO CCn1cc(CN2CCC[C@H]([N@@H+](C)CCc3ccccc3)C2)cn1 ZINC000019739593 212060429 /nfs/dbraw/zinc/06/04/29/212060429.db2.gz OIJBNFBAOJMNJL-FQEVSTJZSA-N 1 1 326.488 3.042 50 0 EGAAMO C(=C/c1ccccc1)\C[NH+]1CCN(Cc2ccc3c(c2)OCO3)CC1 ZINC000019536949 212039872 /nfs/dbraw/zinc/03/98/72/212039872.db2.gz RLPQFLZZBZUEOL-QPJJXVBHSA-N 1 1 336.435 3.246 50 0 EGAAMO O=C1N(CC2CCCCC2)CCC[C@@]12CC[N@@H+](Cc1ccncc1)C2 ZINC000012306274 211338938 /nfs/dbraw/zinc/33/89/38/211338938.db2.gz KCSUNSKWJVZYPJ-NRFANRHFSA-N 1 1 341.499 3.476 50 0 EGAAMO Cc1c[nH]c(C[N@H+]2CC[C@@]3(C2)CCCN(CC2CCCCC2)C3=O)n1 ZINC000012300788 211337922 /nfs/dbraw/zinc/33/79/22/211337922.db2.gz RZJHNUADCAVEQP-HXUWFJFHSA-N 1 1 344.503 3.113 50 0 EGAAMO Fc1ccc(C[N@H+]2CCC[C@]3(CCN(Cc4ncc[nH]4)C3)C2)cc1F ZINC000012198025 211317945 /nfs/dbraw/zinc/31/79/45/211317945.db2.gz KXXHQVGERKSNDS-IBGZPJMESA-N 1 1 346.425 3.176 50 0 EGAAMO Cc1nnc2n1CC[N@H+](Cc1ccc3c(c1)Cc1ccccc1-3)CC2 ZINC000012038363 211282584 /nfs/dbraw/zinc/28/25/84/211282584.db2.gz NMSAPVZMBYYNFI-UHFFFAOYSA-N 1 1 330.435 3.216 50 0 EGAAMO OCc1cccc(C[C@H]2CC[N@@H+](Cc3cnn(-c4ccccc4)c3)C2)c1 ZINC000091563244 218022325 /nfs/dbraw/zinc/02/23/25/218022325.db2.gz XHYTXFVACCDALM-LJQANCHMSA-N 1 1 347.462 3.429 50 0 EGAAMO COc1ccccc1C[N@H+]1CCC[C@H](CNC(=O)c2cccs2)C1 ZINC000011770905 211246862 /nfs/dbraw/zinc/24/68/62/211246862.db2.gz LSKRKGOOBXTFDL-OAHLLOKOSA-N 1 1 344.480 3.399 50 0 EGAAMO C[N@H+]1CCCCC[C@@H]1C(=O)NCc1cc(-c2ccccc2Cl)on1 ZINC000095354431 218287823 /nfs/dbraw/zinc/28/78/23/218287823.db2.gz KIZFKWSRDVEIKW-MRXNPFEDSA-N 1 1 347.846 3.486 50 0 EGAAMO Cc1[nH+]ccn1CCCC(=O)N1CCCN(c2ccccc2C)CC1 ZINC000095354296 218288681 /nfs/dbraw/zinc/28/86/81/218288681.db2.gz AHNHWQSNXKMZPD-UHFFFAOYSA-N 1 1 340.471 3.019 50 0 EGAAMO Cc1ccccc1[C@H](C(=O)N(Cc1cnn(C)c1)CC(C)C)[NH+](C)C ZINC000095354758 218288811 /nfs/dbraw/zinc/28/88/11/218288811.db2.gz CRVJUAQBEBIBTA-LJQANCHMSA-N 1 1 342.487 3.016 50 0 EGAAMO CC1=C(CC[N@@H+]2CCN(C)[C@]3(C2)CCNC(=O)CC3)C(C)(C)CCC1 ZINC000095355288 218289377 /nfs/dbraw/zinc/28/93/77/218289377.db2.gz SQVRVMPYGJXDHR-NRFANRHFSA-N 1 1 347.547 3.189 50 0 EGAAMO Cc1ccc[nH+]c1N1CCN(C(=O)C2=Cc3ccccc3OC=C2)CC1 ZINC000095355920 218289746 /nfs/dbraw/zinc/28/97/46/218289746.db2.gz VCLWSUOAIMKTBZ-UHFFFAOYSA-N 1 1 347.418 3.028 50 0 EGAAMO CCC[N@H+]1C[C@H]2CC[C@@H]1CN(Cc1c(OC)cc(OC)cc1OC)C2 ZINC000095358461 218291368 /nfs/dbraw/zinc/29/13/68/218291368.db2.gz RUNNKAVDPSQJGV-JKSUJKDBSA-N 1 1 348.487 3.019 50 0 EGAAMO COC1(c2ccccc2)CCN(C(=O)CC[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000095365477 218298089 /nfs/dbraw/zinc/29/80/89/218298089.db2.gz NWYNUPVSXRAASK-SFHVURJKSA-N 1 1 344.499 3.273 50 0 EGAAMO Cc1[nH+]ccn1CC[N@@H+](C)[C@H](C(=O)[O-])c1ccc(C(C)(C)C)cc1 ZINC000095389000 218320882 /nfs/dbraw/zinc/32/08/82/218320882.db2.gz UVODNIZCPAKEML-KRWDZBQOSA-N 1 1 329.444 3.247 50 0 EGAAMO Cc1[nH+]ccn1CC[N@H+](C)[C@H](C(=O)[O-])c1ccc(C(C)(C)C)cc1 ZINC000095389000 218320885 /nfs/dbraw/zinc/32/08/85/218320885.db2.gz UVODNIZCPAKEML-KRWDZBQOSA-N 1 1 329.444 3.247 50 0 EGAAMO Cc1ccc(C)c(NC(=O)CSc2nnc([C@@H]([NH3+])C(C)C)o2)c1 ZINC000005120039 210392661 /nfs/dbraw/zinc/39/26/61/210392661.db2.gz UTFXXDRCGBYNSG-AWEZNQCLSA-N 1 1 334.445 3.073 50 0 EGAAMO COC[C@H](C)N(Cc1ccc(F)cc1)C(=O)c1ccc(C[NH+](C)C)o1 ZINC000097370353 219015960 /nfs/dbraw/zinc/01/59/60/219015960.db2.gz BMKBSCFAFIWQSB-AWEZNQCLSA-N 1 1 348.418 3.158 50 0 EGAAMO COCC1(c2nc([C@H]3C[C@@H](c4ccccc4)[N@H+]4CCC[C@H]34)no2)CC1 ZINC000299779180 258089029 /nfs/dbraw/zinc/08/90/29/258089029.db2.gz UOGFUCVJISCKJK-BBWFWOEESA-N 1 1 339.439 3.441 50 0 EGAAMO Cc1cc(-c2nc([C@H]3C[C@@H](c4ccccc4)[N@H+]4CCC[C@H]34)no2)n(C)n1 ZINC000299782638 258090764 /nfs/dbraw/zinc/09/07/64/258090764.db2.gz NCRQFWCQUWOLJY-BBWFWOEESA-N 1 1 349.438 3.472 50 0 EGAAMO Cc1cc(C(=O)N2CCC[N@H+](Cc3ccccc3F)CC2)c(C)n1C ZINC000299784670 258091630 /nfs/dbraw/zinc/09/16/30/258091630.db2.gz HLEORLWBPJBSDU-UHFFFAOYSA-N 1 1 343.446 3.129 50 0 EGAAMO Cc1cc(C(=O)N2CCC[N@@H+](Cc3ccccc3F)CC2)c(C)n1C ZINC000299784670 258091632 /nfs/dbraw/zinc/09/16/32/258091632.db2.gz HLEORLWBPJBSDU-UHFFFAOYSA-N 1 1 343.446 3.129 50 0 EGAAMO O=C(NCCCc1ccccn1)[C@H]1C[C@@H](c2ccccc2)[N@H+]2CCC[C@H]12 ZINC000299758534 258076385 /nfs/dbraw/zinc/07/63/85/258076385.db2.gz JUPYJSWQGPCJIU-HBMCJLEFSA-N 1 1 349.478 3.356 50 0 EGAAMO C[N@H+]1CCCC[C@H]1CCn1cnc2sc3c(c2c1=O)CCCC3 ZINC000032576485 277046905 /nfs/dbraw/zinc/04/69/05/277046905.db2.gz VLSILNYXOWSMFJ-ZDUSSCGKSA-N 1 1 331.485 3.211 50 0 EGAAMO C[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccccc2Cl)N3)C1 ZINC000000551982 277186756 /nfs/dbraw/zinc/18/67/56/277186756.db2.gz ISELMGWQOXTIJY-CQSZACIVSA-N 1 1 333.844 3.244 50 0 EGAAMO C[N@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccccc2Cl)N3)C1 ZINC000000551982 277186757 /nfs/dbraw/zinc/18/67/57/277186757.db2.gz ISELMGWQOXTIJY-CQSZACIVSA-N 1 1 333.844 3.244 50 0 EGAAMO Cc1nc(CCN2CCC[N@H+](C3Cc4ccccc4C3)CC2)cs1 ZINC000240936884 455265266 /nfs/dbraw/zinc/26/52/66/455265266.db2.gz SFIWVMWEHPHUAE-UHFFFAOYSA-N 1 1 341.524 3.169 50 0 EGAAMO CC(C)CN1CC[NH+]2CCN(CC(C)C)P1N(CC(C)C)CC2 ZINC000002513220 452702806 /nfs/dbraw/zinc/70/28/06/452702806.db2.gz WFHPXSHLCFHEIA-UHFFFAOYSA-N 1 1 342.512 3.417 50 0 EGAAMO Nc1cc(N)[nH+]c(S[C@H](C(=O)c2ccccc2)c2ccccc2)n1 ZINC000006831833 452996742 /nfs/dbraw/zinc/99/67/42/452996742.db2.gz MXFAEGNTLKLFQD-KRWDZBQOSA-N 1 1 336.420 3.357 50 0 EGAAMO c1ccc(CCc2nnc3n2CC[N@H+](Cc2ccccc2)CC3)cc1 ZINC000014995954 453550349 /nfs/dbraw/zinc/55/03/49/453550349.db2.gz NMCCAHWKFQCXAT-UHFFFAOYSA-N 1 1 332.451 3.122 50 0 EGAAMO C[N@@H+]1CC(=Cc2ccccc2)C2=NC(=S)N[C@@H](c3ccccc3)C2C1 ZINC000017857628 453639526 /nfs/dbraw/zinc/63/95/26/453639526.db2.gz CAJQQZSVKSXMPE-WPNIOXTASA-N 1 1 347.487 3.489 50 0 EGAAMO CN1CC[C@]2(CC[N@@H+]3CCc4c5ccccc5oc4[C@H]3C2)N(C)C1=O ZINC000025759433 453785101 /nfs/dbraw/zinc/78/51/01/453785101.db2.gz JRDUBBHIPPPSLP-OXQOHEQNSA-N 1 1 339.439 3.252 50 0 EGAAMO CN1CC[C@]2(CC[N@H+]3CCc4c5ccccc5oc4[C@H]3C2)N(C)C1=O ZINC000025759433 453785103 /nfs/dbraw/zinc/78/51/03/453785103.db2.gz JRDUBBHIPPPSLP-OXQOHEQNSA-N 1 1 339.439 3.252 50 0 EGAAMO Cc1nc([C@H]2CCC[N@H+](Cc3cc4c(c(Cl)c3)OCO4)C2)no1 ZINC000075573145 453906397 /nfs/dbraw/zinc/90/63/97/453906397.db2.gz XKJLEHSOYMNAOU-LBPRGKRZSA-N 1 1 335.791 3.140 50 0 EGAAMO Cc1nc([C@H]2CCC[N@@H+](Cc3cc4c(c(Cl)c3)OCO4)C2)no1 ZINC000075573145 453906400 /nfs/dbraw/zinc/90/64/00/453906400.db2.gz XKJLEHSOYMNAOU-LBPRGKRZSA-N 1 1 335.791 3.140 50 0 EGAAMO CC(=O)c1ccc(OCCC[NH+]2CCN(c3ccccc3)CC2)cc1 ZINC000033854623 453917138 /nfs/dbraw/zinc/91/71/38/453917138.db2.gz WUACASOFWVSHIR-UHFFFAOYSA-N 1 1 338.451 3.480 50 0 EGAAMO CC(C)([NH2+]Cc1ccccc1)c1nnnn1-c1ccc(Cl)cc1 ZINC000035622728 453924384 /nfs/dbraw/zinc/92/43/84/453924384.db2.gz IDBCXADIRXNHBZ-UHFFFAOYSA-N 1 1 327.819 3.341 50 0 EGAAMO Cc1ncc(C(=O)N2CCC[N@@H+](CCCc3ccccc3)CC2)s1 ZINC000077391626 454100868 /nfs/dbraw/zinc/10/08/68/454100868.db2.gz IIRXVAKUISKGEM-UHFFFAOYSA-N 1 1 343.496 3.232 50 0 EGAAMO COc1ccc(C[N@H+]2CCC[C@]3(CCC(=O)N(C4CC4)C3)C2)cc1 ZINC000077388916 454100921 /nfs/dbraw/zinc/10/09/21/454100921.db2.gz KROYMSRSGPIUFK-FQEVSTJZSA-N 1 1 328.456 3.062 50 0 EGAAMO CCc1nc(C[N@@H+]2CCC[C@]3(CCC(=O)N(C(C)C)C3)C2)cs1 ZINC000077407911 454102236 /nfs/dbraw/zinc/10/22/36/454102236.db2.gz KZFVVIKWGFSSTQ-SFHVURJKSA-N 1 1 335.517 3.319 50 0 EGAAMO CCc1nc(C[N@H+]2CCC[C@]3(CCC(=O)N(C(C)C)C3)C2)cs1 ZINC000077407911 454102239 /nfs/dbraw/zinc/10/22/39/454102239.db2.gz KZFVVIKWGFSSTQ-SFHVURJKSA-N 1 1 335.517 3.319 50 0 EGAAMO CCn1cc(C[NH+]2CCC(c3nc4ccc(F)cc4[nH]3)CC2)cn1 ZINC000077471443 454109819 /nfs/dbraw/zinc/10/98/19/454109819.db2.gz TUIURTWSTPPYTC-UHFFFAOYSA-N 1 1 327.407 3.298 50 0 EGAAMO COc1ccc(CN2CCCN(c3cc[nH+]cc3C)CC2)c(F)c1 ZINC000077489697 454112953 /nfs/dbraw/zinc/11/29/53/454112953.db2.gz RJBWGICITJYESF-UHFFFAOYSA-N 1 1 329.419 3.250 50 0 EGAAMO Cc1[nH+]ccn1C[C@@H]1CCCN(C(=O)Cc2ccc(O)c(Cl)c2)C1 ZINC000077519327 454117178 /nfs/dbraw/zinc/11/71/78/454117178.db2.gz WTYLQJKRVMSIPM-HNNXBMFYSA-N 1 1 347.846 3.032 50 0 EGAAMO Cc1nc(C(=O)NC[C@@H]2CC[N@@H+](Cc3ccccc3C)C2)cs1 ZINC000096138456 454291784 /nfs/dbraw/zinc/29/17/84/454291784.db2.gz MSJPSERUUGQBSE-HNNXBMFYSA-N 1 1 329.469 3.012 50 0 EGAAMO Cc1[nH]c2c(cccc2C(=O)N2CC([N@@H+]3CCCC[C@@H]3C)C2)c1C ZINC000096166720 454297269 /nfs/dbraw/zinc/29/72/69/454297269.db2.gz FFATUVYNJOQZPL-ZDUSSCGKSA-N 1 1 325.456 3.484 50 0 EGAAMO Cc1ccc(NCCCNC(=O)c2ccc3cccc(F)c3n2)[nH+]c1 ZINC000091320106 454426201 /nfs/dbraw/zinc/42/62/01/454426201.db2.gz JDDXWQQGTJUECW-UHFFFAOYSA-N 1 1 338.386 3.309 50 0 EGAAMO CCc1[nH+]ccn1CC(=O)Nc1cc(C(C)C)nn1-c1ccccc1 ZINC000048175557 454452903 /nfs/dbraw/zinc/45/29/03/454452903.db2.gz AORLNIAXRZGVKO-UHFFFAOYSA-N 1 1 337.427 3.393 50 0 EGAAMO Cc1ccsc1[C@@H]1CC[N@@H+](Cc2cccc3c2OCO3)C[C@H]1O ZINC000065381397 454556753 /nfs/dbraw/zinc/55/67/53/454556753.db2.gz LVFSFUNNCRWNDB-HUUCEWRRSA-N 1 1 331.437 3.136 50 0 EGAAMO Cn1ccnc1C[N@H+]1CC[C@@H](c2ccnc(-c3cccc(O)c3)c2)C1 ZINC000065382382 454558009 /nfs/dbraw/zinc/55/80/09/454558009.db2.gz DDWPQFWGQGYOFY-QGZVFWFLSA-N 1 1 334.423 3.177 50 0 EGAAMO OCc1ccc(C[N@H+]2CCC[C@H](c3nc(-c4ccccc4)no3)C2)o1 ZINC000065404672 454559915 /nfs/dbraw/zinc/55/99/15/454559915.db2.gz QDBDBNIRMPUGLQ-HNNXBMFYSA-N 1 1 339.395 3.202 50 0 EGAAMO Cc1ccsc1[C@@H]1CC[N@H+](Cc2cnn(C)c2C2CC2)C[C@H]1O ZINC000065407377 454561333 /nfs/dbraw/zinc/56/13/33/454561333.db2.gz GVIHJCKVOJXURW-HZPDHXFCSA-N 1 1 331.485 3.018 50 0 EGAAMO CCn1nccc1NC(=O)c1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000065451721 454569012 /nfs/dbraw/zinc/56/90/12/454569012.db2.gz WOAARTMJGWRWPE-OAHLLOKOSA-N 1 1 326.444 3.387 50 0 EGAAMO Cn1cc(C(=O)NC[C@@H]2CCC[N@H+]3CCCC[C@@H]23)c2ccccc21 ZINC000170613498 454942116 /nfs/dbraw/zinc/94/21/16/454942116.db2.gz NMAOABNYFXQXKE-YJBOKZPZSA-N 1 1 325.456 3.173 50 0 EGAAMO CNC(=O)c1ccc(C[NH+]2CCC(Oc3cccc(Cl)c3)CC2)o1 ZINC000252506886 455816400 /nfs/dbraw/zinc/81/64/00/455816400.db2.gz WCOGJJDRRGPGKR-UHFFFAOYSA-N 1 1 348.830 3.336 50 0 EGAAMO C[C@@H](c1cccc(CN(CCO)Cc2ccc(F)cc2)c1)[NH+](C)C ZINC000220472065 456040282 /nfs/dbraw/zinc/04/02/82/456040282.db2.gz PHNMRFFDKSFMSS-INIZCTEOSA-N 1 1 330.447 3.443 50 0 EGAAMO Cc1[nH+]ccn1CC[C@@H](NC(=O)c1cc(C)nc(C)n1)c1ccccc1 ZINC000222903604 456051682 /nfs/dbraw/zinc/05/16/82/456051682.db2.gz BDMJIZGJWVGKLP-GOSISDBHSA-N 1 1 349.438 3.160 50 0 EGAAMO Cc1[nH+]cn(CCNC(=O)[C@@]2(c3ccccc3F)CC2(C)C)c1C ZINC000426414845 457826011 /nfs/dbraw/zinc/82/60/11/457826011.db2.gz VOHROMGAAHYQJO-IBGZPJMESA-N 1 1 329.419 3.123 50 0 EGAAMO C[N@@H+]1[C@@H]2CC[C@H]1CCN(C(=O)c1ccc(-c3ccncc3F)cc1)C2 ZINC000426433660 457830234 /nfs/dbraw/zinc/83/02/34/457830234.db2.gz NEVNUQBWEKXVCN-DLBZAZTESA-N 1 1 339.414 3.196 50 0 EGAAMO CN(Cc1cccs1)C(=O)NCC[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC000426521480 457847627 /nfs/dbraw/zinc/84/76/27/457847627.db2.gz QVRXITDYGOKBKI-QGZVFWFLSA-N 1 1 343.496 3.379 50 0 EGAAMO CO[C@]12CC[N@@H+](Cc3cccnc3)[C@H]1C[C@@H](Oc1ccccn1)CC2 ZINC000426549191 457853139 /nfs/dbraw/zinc/85/31/39/457853139.db2.gz QUNUHUYZBNHZST-CMKODMSKSA-N 1 1 339.439 3.068 50 0 EGAAMO CSC[C@H]1CCCN(C(=O)NCCCn2cc[nH+]c2C(C)C)C1 ZINC000426596633 457860880 /nfs/dbraw/zinc/86/08/80/457860880.db2.gz QNJBCNQZKKCILV-HNNXBMFYSA-N 1 1 338.521 3.181 50 0 EGAAMO CN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)NCCc1ccccc1 ZINC000524729286 459384904 /nfs/dbraw/zinc/38/49/04/459384904.db2.gz MNIWRRCNHPESAP-RBUKOAKNSA-N 1 1 329.488 3.135 50 0 biogenic EGAAMO CCOc1ccc(C[NH2+]Cc2cnc(Br)cn2)cc1F ZINC000585136191 459828456 /nfs/dbraw/zinc/82/84/56/459828456.db2.gz VJLIVBVFGWQFBY-UHFFFAOYSA-N 1 1 340.196 3.067 50 0 EGAAMO O[C@H](C[NH+]1CCOCC1)c1ccc(-c2cccc3cccnc32)cc1 ZINC000065404331 546565072 /nfs/dbraw/zinc/56/50/72/546565072.db2.gz KFPVEALPRAIPGB-HXUWFJFHSA-N 1 1 334.419 3.267 50 0 EGAAMO C[C@@H](C(=O)NCCc1noc(C2CCCC2)n1)[N@@H+](C)C1CCCCC1 ZINC000219043917 547241545 /nfs/dbraw/zinc/24/15/45/547241545.db2.gz NZCHOAHODHIVMZ-AWEZNQCLSA-N 1 1 348.491 3.039 50 0 EGAAMO COc1ccc(C[N@H+]2CC[C@]3(C2)CCCN(CC2CC2)C3=O)cc1F ZINC000011715600 1291128500 /nfs/dbraw/zinc/12/85/00/1291128500.db2.gz SRMQZSZMFPPVHL-FQEVSTJZSA-N 1 1 346.446 3.059 50 0 EGAAMO COc1ccc(-c2nc(C[N@H+]3CCC[C@@H](OC)C3)c(C)o2)c(OC)c1 ZINC000019771216 1291193898 /nfs/dbraw/zinc/19/38/98/1291193898.db2.gz PGOSOSCCQQIYNO-OAHLLOKOSA-N 1 1 346.427 3.278 50 0 EGAAMO COc1ccc(-c2nc(C[N@@H+]3CCC[C@@H](OC)C3)c(C)o2)c(OC)c1 ZINC000019771216 1291193903 /nfs/dbraw/zinc/19/39/03/1291193903.db2.gz PGOSOSCCQQIYNO-OAHLLOKOSA-N 1 1 346.427 3.278 50 0 EGAAMO Cc1cc(C)c(C[N@@H+]2CCc3nnc([C@H]4CCCO4)n3CC2)cc1C ZINC000023153501 1291231249 /nfs/dbraw/zinc/23/12/49/1291231249.db2.gz VKURACVBYLDPHM-GOSISDBHSA-N 1 1 340.471 3.113 50 0 EGAAMO c1csc(C[N@H+]2CCCN([C@H]3COc4ccccc4C3)CC2)c1 ZINC000039489946 1291404972 /nfs/dbraw/zinc/40/49/72/1291404972.db2.gz MHOMHNFZFAZBAX-QGZVFWFLSA-N 1 1 328.481 3.260 50 0 EGAAMO c1csc(CN2CCC[N@@H+]([C@H]3COc4ccccc4C3)CC2)c1 ZINC000039489946 1291404976 /nfs/dbraw/zinc/40/49/76/1291404976.db2.gz MHOMHNFZFAZBAX-QGZVFWFLSA-N 1 1 328.481 3.260 50 0 EGAAMO c1csc(CN2CCC[N@H+]([C@H]3COc4ccccc4C3)CC2)c1 ZINC000039489946 1291404982 /nfs/dbraw/zinc/40/49/82/1291404982.db2.gz MHOMHNFZFAZBAX-QGZVFWFLSA-N 1 1 328.481 3.260 50 0 EGAAMO CCc1nc(N2CCC[C@H](C(=O)c3ccccc3OC)C2)cc(C)[nH+]1 ZINC000071405809 1292268286 /nfs/dbraw/zinc/26/82/86/1292268286.db2.gz QMIIRBDSGGIHDE-HNNXBMFYSA-N 1 1 339.439 3.455 50 0 EGAAMO C[N@H+]1CCC[C@@H]1CCn1ccnc1-c1cc2ccc(F)cc2[nH]c1=O ZINC000071712216 1292268410 /nfs/dbraw/zinc/26/84/10/1292268410.db2.gz FRKFOAPSECBAQT-OAHLLOKOSA-N 1 1 340.402 3.015 50 0 EGAAMO O=C(C[C@@H]1C=CCC1)Nc1ccc(NC(=O)C[NH+]2CCCCC2)cc1 ZINC000828052325 1292424101 /nfs/dbraw/zinc/42/41/01/1292424101.db2.gz TYWNBUJIDIDAOD-MRXNPFEDSA-N 1 1 341.455 3.406 50 0 EGAAMO Cc1[nH+]cn(CCNC(=O)c2ccc(N3CCCC3)c(Cl)c2)c1C ZINC000828152489 1292436846 /nfs/dbraw/zinc/43/68/46/1292436846.db2.gz BITNNNNSIRHUQL-UHFFFAOYSA-N 1 1 346.862 3.184 50 0 EGAAMO O=C(N[C@H]1CCC[N@H+](Cc2cccs2)C1)c1onc2c1CCCC2 ZINC000828231315 1292444827 /nfs/dbraw/zinc/44/48/27/1292444827.db2.gz UVYSDHAFOUVPTC-ZDUSSCGKSA-N 1 1 345.468 3.009 50 0 EGAAMO O=C(N[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1onc2c1CCCC2 ZINC000828231315 1292444829 /nfs/dbraw/zinc/44/48/29/1292444829.db2.gz UVYSDHAFOUVPTC-ZDUSSCGKSA-N 1 1 345.468 3.009 50 0 EGAAMO O=C(CSCc1ccccc1)N[C@H]1CC[N@H+](Cc2ccsc2)C1 ZINC000618256518 1298099508 /nfs/dbraw/zinc/09/95/08/1298099508.db2.gz JMAFCSNXOUCDQM-KRWDZBQOSA-N 1 1 346.521 3.372 50 0 EGAAMO O=C(CSCc1ccccc1)N[C@H]1CC[N@@H+](Cc2ccsc2)C1 ZINC000618256518 1298099518 /nfs/dbraw/zinc/09/95/18/1298099518.db2.gz JMAFCSNXOUCDQM-KRWDZBQOSA-N 1 1 346.521 3.372 50 0 EGAAMO COc1ccccc1CC(=O)N[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000824815241 1320288177 /nfs/dbraw/zinc/28/81/77/1320288177.db2.gz DPADRZDPFZCQNE-MRXNPFEDSA-N 1 1 344.480 3.080 50 0 EGAAMO Cc1cccc([C@H](C(=O)N(C)Cc2nc3ccccc3[nH]2)[NH+](C)C)c1 ZINC000825212513 1320318918 /nfs/dbraw/zinc/31/89/18/1320318918.db2.gz CXVJXKJFPGQPEX-LJQANCHMSA-N 1 1 336.439 3.133 50 0 EGAAMO CC(C)C(=O)Nc1ccc(NC(=O)C[N@H+]2C[C@@H]3CC[C@H]2C3)cc1Cl ZINC000952868925 1334583940 /nfs/dbraw/zinc/58/39/40/1334583940.db2.gz IXZSGNYFDPAYBB-OCCSQVGLSA-N 1 1 349.862 3.357 50 0 EGAAMO CCCC(=O)Nc1ccc(NC(=O)C[N@@H+](C)C2CCCC2)cc1OC ZINC000952988546 1334631137 /nfs/dbraw/zinc/63/11/37/1334631137.db2.gz QKSKPESUPKOFSI-UHFFFAOYSA-N 1 1 347.459 3.247 50 0 EGAAMO COc1ccc2cc(C[N@@H+](C)[C@H]3C[C@H]4CNC(=O)C[C@H]4C3)ccc2c1 ZINC001704298250 1416432965 /nfs/dbraw/zinc/43/29/65/1416432965.db2.gz IFTIHLOKTYYQKX-CEXWTWQISA-N 1 1 338.451 3.195 50 0 EGAAMO Cc1ccnc(C[C@H](C)N(C)C(=O)C[N@H+](C)Cc2ccc(F)cc2)c1 ZINC001704353785 1416453613 /nfs/dbraw/zinc/45/36/13/1416453613.db2.gz LSKSTGYYYQVNQQ-INIZCTEOSA-N 1 1 343.446 3.051 50 0 EGAAMO Cc1ccnc(C[C@H](C)N(C)C(=O)C[N@@H+](C)Cc2ccc(F)cc2)c1 ZINC001704353785 1416453617 /nfs/dbraw/zinc/45/36/17/1416453617.db2.gz LSKSTGYYYQVNQQ-INIZCTEOSA-N 1 1 343.446 3.051 50 0 EGAAMO O=C(c1sccc1Cl)N1CCC[N@H+]([C@H]2CCSC2)CC1 ZINC001772804265 1441417462 /nfs/dbraw/zinc/41/74/62/1441417462.db2.gz KRHAVFJAVDZYFP-NSHDSACASA-N 1 1 330.906 3.055 50 0 EGAAMO CC[C@H](CO)[N@@H+](Cc1ccco1)Cc1ccc(OC)c(COC)c1 ZINC000055036217 214264720 /nfs/dbraw/zinc/26/47/20/214264720.db2.gz BEYPXMGFPZYXFR-QGZVFWFLSA-N 1 1 333.428 3.208 50 0 EGAAMO CCn1ccnc1C[N@@H+]1CC[C@@H](c2ccc3ccccc3c2)[C@H](O)C1 ZINC000067676714 215183070 /nfs/dbraw/zinc/18/30/70/215183070.db2.gz QVEZGBNJVBRZRX-VQTJNVASSA-N 1 1 335.451 3.407 50 0 EGAAMO CCn1ccnc1C[N@H+]1CC[C@@H](c2ccc3ccccc3c2)[C@H](O)C1 ZINC000067676714 215183071 /nfs/dbraw/zinc/18/30/71/215183071.db2.gz QVEZGBNJVBRZRX-VQTJNVASSA-N 1 1 335.451 3.407 50 0 EGAAMO Cc1ccn2cc(Cn3cnc4c(C)cc(Cl)cc4c3=O)[nH+]c2c1 ZINC000042628372 213519774 /nfs/dbraw/zinc/51/97/74/213519774.db2.gz OALSBZVBUQPOLT-UHFFFAOYSA-N 1 1 338.798 3.363 50 0 EGAAMO C[C@@H](O)C[N@H+]1CCc2[nH]nc(C(c3ccccc3)c3ccccc3)c2C1 ZINC000067689145 215186179 /nfs/dbraw/zinc/18/61/79/215186179.db2.gz QUWGSVZPNRWJCR-MRXNPFEDSA-N 1 1 347.462 3.329 50 0 EGAAMO C[C@@H](O)C[N@@H+]1CCc2n[nH]c(C(c3ccccc3)c3ccccc3)c2C1 ZINC000067689145 215186184 /nfs/dbraw/zinc/18/61/84/215186184.db2.gz QUWGSVZPNRWJCR-MRXNPFEDSA-N 1 1 347.462 3.329 50 0 EGAAMO C[C@@H](O)C[N@H+]1CCc2n[nH]c(C(c3ccccc3)c3ccccc3)c2C1 ZINC000067689145 215186188 /nfs/dbraw/zinc/18/61/88/215186188.db2.gz QUWGSVZPNRWJCR-MRXNPFEDSA-N 1 1 347.462 3.329 50 0 EGAAMO Cc1c2ccccc2oc1C[N@@H+]1CC[C@@H](CNC(=O)NC(C)C)C1 ZINC000067758308 215205904 /nfs/dbraw/zinc/20/59/04/215205904.db2.gz AIAFUHQLSWKVJT-HNNXBMFYSA-N 1 1 329.444 3.271 50 0 EGAAMO C[N@@H+](CCc1ccccn1)Cc1cnc2c(-c3ccccc3)cnn2c1 ZINC000067919910 215249826 /nfs/dbraw/zinc/24/98/26/215249826.db2.gz MXBRMIYSNYJNKP-UHFFFAOYSA-N 1 1 343.434 3.466 50 0 EGAAMO CCNC(=O)NC[C@H]1CC[N@H+](Cc2cc(Cl)cc(Cl)c2)C1 ZINC000067935375 215254877 /nfs/dbraw/zinc/25/48/77/215254877.db2.gz JEBCPLNWMAFWCX-LLVKDONJSA-N 1 1 330.259 3.134 50 0 EGAAMO CCNC(=O)NC[C@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2)C1 ZINC000067935375 215254880 /nfs/dbraw/zinc/25/48/80/215254880.db2.gz JEBCPLNWMAFWCX-LLVKDONJSA-N 1 1 330.259 3.134 50 0 EGAAMO COc1cc(-c2nc(C[N@H+]3CCC[C@H]3C)c(C)o2)cc2c1OCO2 ZINC000067973629 215264022 /nfs/dbraw/zinc/26/40/22/215264022.db2.gz HAPXEBVDGZTTNR-LLVKDONJSA-N 1 1 330.384 3.372 50 0 EGAAMO CC(C)(C)C[N@H+]1CCN(Cc2cc3ccccc3[nH]2)C[C@H]1CCO ZINC000104398462 219383291 /nfs/dbraw/zinc/38/32/91/219383291.db2.gz ISOXFQUFDFKPIZ-GOSISDBHSA-N 1 1 329.488 3.083 50 0 EGAAMO C[N@H+]1CCCN(c2ccc(NC(=O)OCC(F)(F)F)cc2F)CC1 ZINC000039947642 213243753 /nfs/dbraw/zinc/24/37/53/213243753.db2.gz HOUGWGQZKNJAGZ-UHFFFAOYSA-N 1 1 349.328 3.078 50 0 EGAAMO C[N@@H+]1CCc2c(sc3[nH]c(=S)n(-c4ccccc4)c(=O)c23)C1 ZINC000015685982 283172315 /nfs/dbraw/zinc/17/23/15/283172315.db2.gz VSHJDPXJTUZIDA-UHFFFAOYSA-N 1 1 329.450 3.098 50 0 EGAAMO C[N@H+]1CCc2c(sc3[nH]c(=S)n(-c4ccccc4)c(=O)c23)C1 ZINC000015685982 283172319 /nfs/dbraw/zinc/17/23/19/283172319.db2.gz VSHJDPXJTUZIDA-UHFFFAOYSA-N 1 1 329.450 3.098 50 0 EGAAMO CSc1ncc(C[NH+]2CCC(C(C)=O)(c3ccccc3)CC2)cn1 ZINC000072157604 216047452 /nfs/dbraw/zinc/04/74/52/216047452.db2.gz QNFCRQDUBOYNOL-UHFFFAOYSA-N 1 1 341.480 3.321 50 0 EGAAMO Cc1nn2c(nc(C)cc2N2CC[NH+](Cc3ccsc3)CC2)c1C ZINC000072408769 216199505 /nfs/dbraw/zinc/19/95/05/216199505.db2.gz GZQRHWLIWILBDE-UHFFFAOYSA-N 1 1 341.484 3.038 50 0 EGAAMO CCc1cnc(C)nc1N[C@@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000072422869 216211167 /nfs/dbraw/zinc/21/11/67/216211167.db2.gz FPVWBAAAMBLZAN-LJQANCHMSA-N 1 1 336.483 3.391 50 0 EGAAMO CC1CC[NH+]([C@@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2=O)CC1 ZINC000000049474 209390679 /nfs/dbraw/zinc/39/06/79/209390679.db2.gz HDJWVMWGPJVYLB-CQSZACIVSA-N 1 1 341.238 3.357 50 0 EGAAMO CCc1cc(NCC2(Cn3cc[nH+]c3C)CC2)n2nc(C)c(C)c2n1 ZINC000072476026 216254308 /nfs/dbraw/zinc/25/43/08/216254308.db2.gz VNDWZRKMEDMMMV-UHFFFAOYSA-N 1 1 338.459 3.306 50 0 EGAAMO CCOc1ccc(CN2CC[N@@H+](CC(C)(C)C)[C@@H](CCO)C2)cc1 ZINC000022920112 212334085 /nfs/dbraw/zinc/33/40/85/212334085.db2.gz BQZALIBEMYYYLA-SFHVURJKSA-N 1 1 334.504 3.000 50 0 EGAAMO CCc1ccc(C[N@@H+]2CCN(Cc3ccc(F)cc3)[C@H](CCO)C2)o1 ZINC000022853387 212329183 /nfs/dbraw/zinc/32/91/83/212329183.db2.gz BHENHGYBBZGEHB-GOSISDBHSA-N 1 1 346.446 3.050 50 0 EGAAMO CCc1ccc(C[N@H+]2CCN(Cc3ccc(F)cc3)[C@H](CCO)C2)o1 ZINC000022853387 212329186 /nfs/dbraw/zinc/32/91/86/212329186.db2.gz BHENHGYBBZGEHB-GOSISDBHSA-N 1 1 346.446 3.050 50 0 EGAAMO CC(=O)N[C@@H]1CC[N@H+](Cc2ccc(Sc3ccc(C)cc3)o2)C1 ZINC000215213702 241111987 /nfs/dbraw/zinc/11/19/87/241111987.db2.gz KDHSOOUSENLFBY-OAHLLOKOSA-N 1 1 330.453 3.450 50 0 EGAAMO CC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(Sc3ccc(C)cc3)o2)C1 ZINC000215213702 241111992 /nfs/dbraw/zinc/11/19/92/241111992.db2.gz KDHSOOUSENLFBY-OAHLLOKOSA-N 1 1 330.453 3.450 50 0 EGAAMO Cc1nc([C@@H]2CCC[N@@H+](Cc3ccc(-n4cccn4)cc3C)C2)no1 ZINC000215776172 241145839 /nfs/dbraw/zinc/14/58/39/241145839.db2.gz CHDDFMXUCDERLX-QGZVFWFLSA-N 1 1 337.427 3.252 50 0 EGAAMO Cc1nc([C@H]2CCC[N@@H+](Cc3ccc(-n4cccn4)cc3C)C2)no1 ZINC000215776122 241147774 /nfs/dbraw/zinc/14/77/74/241147774.db2.gz CHDDFMXUCDERLX-KRWDZBQOSA-N 1 1 337.427 3.252 50 0 EGAAMO CCOCc1cc(C[N@H+]2CCC[C@@H](c3noc(C)n3)C2)ccc1OC ZINC000216083420 241163023 /nfs/dbraw/zinc/16/30/23/241163023.db2.gz JYGUZSSAXVQXFG-MRXNPFEDSA-N 1 1 345.443 3.303 50 0 EGAAMO COc1ccc2[nH]c(C[N@@H+](C)CCCc3nccn3C)c(C)c2c1 ZINC000215428657 241124793 /nfs/dbraw/zinc/12/47/93/241124793.db2.gz KNVKZYYQUWTFAB-UHFFFAOYSA-N 1 1 326.444 3.283 50 0 EGAAMO C[N@H+](Cc1ccc2[nH]ccc2c1)C[C@H]1CC(=O)N(C2CCCC2)C1 ZINC000215498931 241127824 /nfs/dbraw/zinc/12/78/24/241127824.db2.gz AACAPERMIQVGRX-MRXNPFEDSA-N 1 1 325.456 3.391 50 0 EGAAMO O=C(CCn1ccc2ccccc21)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020893020 212183578 /nfs/dbraw/zinc/18/35/78/212183578.db2.gz FNGNNBBNKGXNAH-UHFFFAOYSA-N 1 1 347.462 3.376 50 0 EGAAMO CC(C)Oc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](c3cc[nH]n3)C2)cc1 ZINC000243956953 243034652 /nfs/dbraw/zinc/03/46/52/243034652.db2.gz CESIMABAMDJLNN-OAHLLOKOSA-N 1 1 342.443 3.015 50 0 EGAAMO CC(C)Oc1ccc(NC(=O)C[N@H+]2CCC[C@@H](c3cc[nH]n3)C2)cc1 ZINC000243956953 243034660 /nfs/dbraw/zinc/03/46/60/243034660.db2.gz CESIMABAMDJLNN-OAHLLOKOSA-N 1 1 342.443 3.015 50 0 EGAAMO CC(C)Oc1ccc(NC(=O)C[N@@H+]2CCC[C@H](c3cc[nH]n3)C2)cc1 ZINC000243956952 243036691 /nfs/dbraw/zinc/03/66/91/243036691.db2.gz CESIMABAMDJLNN-HNNXBMFYSA-N 1 1 342.443 3.015 50 0 EGAAMO CC(C)Oc1ccc(NC(=O)C[N@H+]2CCC[C@H](c3cc[nH]n3)C2)cc1 ZINC000243956952 243036696 /nfs/dbraw/zinc/03/66/96/243036696.db2.gz CESIMABAMDJLNN-HNNXBMFYSA-N 1 1 342.443 3.015 50 0 EGAAMO CCc1ncc(C[N@@H+](C)[C@@H]2CCCN(Cc3ccccc3F)C2)cn1 ZINC000020782075 212171539 /nfs/dbraw/zinc/17/15/39/212171539.db2.gz BBJPWNLUDVYQLE-GOSISDBHSA-N 1 1 342.462 3.275 50 0 EGAAMO CCc1ncc(CN(C)[C@@H]2CCC[N@H+](Cc3ccccc3F)C2)cn1 ZINC000020782075 212171543 /nfs/dbraw/zinc/17/15/43/212171543.db2.gz BBJPWNLUDVYQLE-GOSISDBHSA-N 1 1 342.462 3.275 50 0 EGAAMO CCc1ncc(CN(C)[C@@H]2CCC[N@@H+](Cc3ccccc3F)C2)cn1 ZINC000020782075 212171544 /nfs/dbraw/zinc/17/15/44/212171544.db2.gz BBJPWNLUDVYQLE-GOSISDBHSA-N 1 1 342.462 3.275 50 0 EGAAMO C[N@H+](CC(=O)NCc1cccs1)Cc1cccc2cccnc21 ZINC000244788048 243081468 /nfs/dbraw/zinc/08/14/68/243081468.db2.gz QIHDDKXYMOMRQH-UHFFFAOYSA-N 1 1 325.437 3.045 50 0 EGAAMO C[N@@H+](CC(=O)NCc1cccs1)Cc1cccc2cccnc21 ZINC000244788048 243081474 /nfs/dbraw/zinc/08/14/74/243081474.db2.gz QIHDDKXYMOMRQH-UHFFFAOYSA-N 1 1 325.437 3.045 50 0 EGAAMO COc1ccc(CN2CC[N@H+](C3CCCC3)C[C@@H]2CCO)c(C)c1C ZINC000019606957 212051482 /nfs/dbraw/zinc/05/14/82/212051482.db2.gz HMEKYUWZEMWWRH-FQEVSTJZSA-N 1 1 346.515 3.123 50 0 EGAAMO O=C(NC[C@@H]1CCC[N@H+]2CCCC[C@H]12)c1cc(-c2cccs2)n[nH]1 ZINC000085879593 217687723 /nfs/dbraw/zinc/68/77/23/217687723.db2.gz KDFCASYVFGRIMK-XJKSGUPXSA-N 1 1 344.484 3.133 50 0 biogenic EGAAMO CCN(Cc1ncc[nH]1)C[C@@H]1CCC[N@@H+](CCc2cccc(F)c2)C1 ZINC000012433225 211379343 /nfs/dbraw/zinc/37/93/43/211379343.db2.gz IWDRKADXVDJYPN-SFHVURJKSA-N 1 1 344.478 3.325 50 0 EGAAMO CN(Cc1cc[nH]n1)C[C@@H]1CCC[N@@H+](CCc2ccc(Cl)cc2)C1 ZINC000012434346 211379148 /nfs/dbraw/zinc/37/91/48/211379148.db2.gz RTUWFJRRUPXJDW-KRWDZBQOSA-N 1 1 346.906 3.450 50 0 EGAAMO COc1ccc(C(=O)[C@H]2CCC[N@@H+](Cc3ccncc3)C2)cc1OC ZINC000012304575 211339065 /nfs/dbraw/zinc/33/90/65/211339065.db2.gz VBYWHUGFIOYQJB-KRWDZBQOSA-N 1 1 340.423 3.194 50 0 EGAAMO Cc1cc(C)n(CCC(=O)N[C@@H]2CCC[N@H+](C3CCCCCC3)C2)n1 ZINC000012075965 211286208 /nfs/dbraw/zinc/28/62/08/211286208.db2.gz OGZRXIVFDAVERV-GOSISDBHSA-N 1 1 346.519 3.193 50 0 EGAAMO CCc1nc(C)c(CNC(=O)[C@H](c2ccc(C)cc2)[NH+](C)C)s1 ZINC000091552036 218021601 /nfs/dbraw/zinc/02/16/01/218021601.db2.gz OKPNELPEBWJKCO-KRWDZBQOSA-N 1 1 331.485 3.241 50 0 EGAAMO Cc1nc(CN2CCC(c3[nH+]ccn3Cc3cscn3)CC2)co1 ZINC000091626355 218035737 /nfs/dbraw/zinc/03/57/37/218035737.db2.gz VPAWDZJUFULBKD-UHFFFAOYSA-N 1 1 343.456 3.064 50 0 EGAAMO Cc1nc(C[NH+]2CCC(c3nccn3Cc3cscn3)CC2)co1 ZINC000091626355 218035740 /nfs/dbraw/zinc/03/57/40/218035740.db2.gz VPAWDZJUFULBKD-UHFFFAOYSA-N 1 1 343.456 3.064 50 0 EGAAMO CCc1[nH+]ccn1CCNC(=O)[C@@H](C)Oc1ccc2ccccc2c1 ZINC000091664009 218043614 /nfs/dbraw/zinc/04/36/14/218043614.db2.gz GXEFJPOZXYYIPW-OAHLLOKOSA-N 1 1 337.423 3.182 50 0 EGAAMO COCC[C@]1(CO)CCC[N@@H+](Cc2cnc(C3CCCCC3)nc2)C1 ZINC000091872382 218080551 /nfs/dbraw/zinc/08/05/51/218080551.db2.gz JRCSRFNNTJGFPQ-HXUWFJFHSA-N 1 1 347.503 3.135 50 0 EGAAMO CC(=O)N1C[C@H]2CC[C@H](C[N@@H+]2Cc2cccc(OC(F)(F)F)c2)C1 ZINC000092065839 218113276 /nfs/dbraw/zinc/11/32/76/218113276.db2.gz SBZJOUKSMLAGKO-LSDHHAIUSA-N 1 1 342.361 3.028 50 0 EGAAMO O[C@@H](COC12CC3CC(CC(C3)C1)C2)C[N@H+]1CCc2ccccc2C1 ZINC000010434716 211172413 /nfs/dbraw/zinc/17/24/13/211172413.db2.gz DPTCMAQAMFSUSH-HUFQKIGGSA-N 1 1 341.495 3.391 50 0 EGAAMO CCn1cc(CN2C[C@H]3CC[C@@H]2C[N@@H+](Cc2ccc(F)cc2)C3)cn1 ZINC000095370665 218302361 /nfs/dbraw/zinc/30/23/61/218302361.db2.gz DDUFAZDETXLXRI-FXAWDEMLSA-N 1 1 342.462 3.139 50 0 EGAAMO Cc1ncsc1C[N@H+]1C[C@H]2CC[C@@H](C1)C(=O)N2Cc1ccccc1 ZINC000095381985 218314504 /nfs/dbraw/zinc/31/45/04/218314504.db2.gz HVSYTFWIRCJBSO-DLBZAZTESA-N 1 1 341.480 3.075 50 0 EGAAMO C[C@H](O)c1cccc(N2CCC([N@H+]3CCc4ccccc4C3)CC2)n1 ZINC000095375639 218309117 /nfs/dbraw/zinc/30/91/17/218309117.db2.gz NYJMGNLAYYRMDP-INIZCTEOSA-N 1 1 337.467 3.162 50 0 EGAAMO Cc1cc[nH+]c(N2CCC[C@H](c3nccn3Cc3ccccn3)C2)c1 ZINC000095385986 218317987 /nfs/dbraw/zinc/31/79/87/218317987.db2.gz XGLCSPHYGOCGSV-KRWDZBQOSA-N 1 1 333.439 3.414 50 0 EGAAMO CO[C@]12CC[N@@H+](Cc3csc(-c4ccccc4)n3)[C@H]1C[C@H](O)CC2 ZINC000299773533 258085287 /nfs/dbraw/zinc/08/52/87/258085287.db2.gz FDOSWKXANIXUHA-ZIFCJYIRSA-N 1 1 344.480 3.314 50 0 EGAAMO COc1cccc([C@@H]2CCCCN2C(=O)Cn2c[nH+]c(C)c2C)c1 ZINC000299785010 258092260 /nfs/dbraw/zinc/09/22/60/258092260.db2.gz IMHCJJQOGUNHPI-SFHVURJKSA-N 1 1 327.428 3.262 50 0 EGAAMO O=C1N(C2Cc3ccccc3C2)C[C@@H]2C[C@@H](c3ccco3)[N@H+]3CCC[C@@]123 ZINC000012706905 275021356 /nfs/dbraw/zinc/02/13/56/275021356.db2.gz SVNGNTBPUUSQII-JLMWRMLUSA-N 1 1 348.446 3.185 50 0 EGAAMO OCC[N@@H+]1CCOc2c(O)cc(-c3csc4ccccc34)cc2C1 ZINC000067854842 275047368 /nfs/dbraw/zinc/04/73/68/275047368.db2.gz OSMYSFQPKMAPIW-UHFFFAOYSA-N 1 1 341.432 3.461 50 0 EGAAMO OCC[N@H+]1CCOc2c(O)cc(-c3csc4ccccc34)cc2C1 ZINC000067854842 275047369 /nfs/dbraw/zinc/04/73/69/275047369.db2.gz OSMYSFQPKMAPIW-UHFFFAOYSA-N 1 1 341.432 3.461 50 0 EGAAMO CC[N@H+]1CCc2c(sc3c2C(=O)N[C@H](/C=C/c2ccco2)N3)C1 ZINC000004556135 276236607 /nfs/dbraw/zinc/23/66/07/276236607.db2.gz XDZYNNMMCPDSAI-GJBLVYBDSA-N 1 1 329.425 3.489 50 0 EGAAMO C[C@H](C[N@H+]1CCc2ccccc2C1)NC(=O)Nc1cccc2c[nH]nc21 ZINC000096153860 279321907 /nfs/dbraw/zinc/32/19/07/279321907.db2.gz KFJWRJWJSMKTLV-CQSZACIVSA-N 1 1 349.438 3.131 50 0 EGAAMO Cc1cc(C(=O)N2C[C@H]3CC[C@H](C[N@@H+]3C)C2)c2cc(Cl)ccc2n1 ZINC000091547258 280342290 /nfs/dbraw/zinc/34/22/90/280342290.db2.gz FGKVJQCXZONLOP-UKRRQHHQSA-N 1 1 343.858 3.363 50 0 EGAAMO Cc1cc(C)nc(CN(C)C(=O)[C@@H](c2ccc(F)cc2)[NH+](C)C)c1 ZINC000095370966 301260409 /nfs/dbraw/zinc/26/04/09/301260409.db2.gz XREAOEKPJBPZTC-GOSISDBHSA-N 1 1 329.419 3.099 50 0 EGAAMO CCOC(=O)[C@H]1CCC[N@@H+](CCCOc2ccccc2Cl)C1 ZINC000016527056 453610644 /nfs/dbraw/zinc/61/06/44/453610644.db2.gz JZFBWTAJYYSSFX-AWEZNQCLSA-N 1 1 325.836 3.384 50 0 EGAAMO Cc1cccc(NC(=O)CC[N@H+]2CC[C@@](O)(c3ccccc3)C2)c1C ZINC000240163609 455263941 /nfs/dbraw/zinc/26/39/41/455263941.db2.gz JCHPOFGACBGXFO-NRFANRHFSA-N 1 1 338.451 3.226 50 0 EGAAMO COc1ccc(CN2CCC([N@H+]3CCC[C@@H](C)C3)CC2)c(OC)c1 ZINC000000207752 452537070 /nfs/dbraw/zinc/53/70/70/452537070.db2.gz WPZPVCJGLDFIFY-MRXNPFEDSA-N 1 1 332.488 3.400 50 0 EGAAMO CCC(=O)c1ccc(OC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)cc1 ZINC000002887855 452733972 /nfs/dbraw/zinc/73/39/72/452733972.db2.gz SPDVZRJIEXJRSB-IBGZPJMESA-N 1 1 339.435 3.077 50 0 EGAAMO CCC(=O)c1ccc(OC[C@@H](O)C[N@H+]2CCc3ccccc3C2)cc1 ZINC000002887855 452733979 /nfs/dbraw/zinc/73/39/79/452733979.db2.gz SPDVZRJIEXJRSB-IBGZPJMESA-N 1 1 339.435 3.077 50 0 EGAAMO CSCCC(=O)N(CCc1ccccc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000011874952 453336563 /nfs/dbraw/zinc/33/65/63/453336563.db2.gz WNTFEVVCMGVUFK-GOSISDBHSA-N 1 1 334.529 3.153 50 0 EGAAMO Cc1cc(C)c2c(C[NH+]3CCN(c4ccccn4)CC3)cc(=O)oc2c1 ZINC000012445422 453362139 /nfs/dbraw/zinc/36/21/39/453362139.db2.gz MBAZKIWNBCSDPZ-UHFFFAOYSA-N 1 1 349.434 3.127 50 0 biogenic,in-vitro EGAAMO COc1cccc(C(=O)[C@@H]2CCC[N@H+](C3CCN(C(C)C)CC3)C2)c1 ZINC000012575962 453378660 /nfs/dbraw/zinc/37/86/60/453378660.db2.gz YVNWRDOQNWWERF-GOSISDBHSA-N 1 1 344.499 3.463 50 0 EGAAMO COc1cccc(C(=O)[C@@H]2CCCN(C3CC[NH+](C(C)C)CC3)C2)c1 ZINC000012575962 453378669 /nfs/dbraw/zinc/37/86/69/453378669.db2.gz YVNWRDOQNWWERF-GOSISDBHSA-N 1 1 344.499 3.463 50 0 EGAAMO CC[N@H+]1CCC[C@H]1CNC(=O)c1sc(-c2ccc(F)cc2)nc1C ZINC000013691546 453481981 /nfs/dbraw/zinc/48/19/81/453481981.db2.gz ZAUBURQLZARCIU-HNNXBMFYSA-N 1 1 347.459 3.472 50 0 EGAAMO Cc1c(C)n(Cc2ccccn2)c2nc[nH+]c(NCc3cccnc3)c12 ZINC000013693602 453482049 /nfs/dbraw/zinc/48/20/49/453482049.db2.gz WWAGSJGUNHJWSK-UHFFFAOYSA-N 1 1 344.422 3.499 50 0 EGAAMO Cc1cccc(O[C@@H](C)C(=O)N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000013744513 453486385 /nfs/dbraw/zinc/48/63/85/453486385.db2.gz NDTRRNHQQBSHHG-SFHVURJKSA-N 1 1 338.451 3.107 50 0 EGAAMO CCOC(=O)N1CCC([N@H+]2CCC[C@H](Nc3ccc(F)cc3)C2)CC1 ZINC000015063428 453553329 /nfs/dbraw/zinc/55/33/29/453553329.db2.gz GHEJXCSFUQMTEB-KRWDZBQOSA-N 1 1 349.450 3.323 50 0 EGAAMO CC(=O)N1CCC([N@H+]2CCC[C@H](CCc3cccc(F)c3)C2)CC1 ZINC000015071476 453554791 /nfs/dbraw/zinc/55/47/91/453554791.db2.gz QEHZRGZRUBRVSH-GOSISDBHSA-N 1 1 332.463 3.481 50 0 EGAAMO C[C@@H]1C[N@@H+](CCOCCOc2ccc3ccccc3c2)C[C@H](C)O1 ZINC000016247712 453598968 /nfs/dbraw/zinc/59/89/68/453598968.db2.gz PDFAZMXGVWNSNL-CALCHBBNSA-N 1 1 329.440 3.344 50 0 EGAAMO C[C@@H]1C[N@H+](CCOCCOc2ccc3ccccc3c2)C[C@H](C)O1 ZINC000016247712 453598971 /nfs/dbraw/zinc/59/89/71/453598971.db2.gz PDFAZMXGVWNSNL-CALCHBBNSA-N 1 1 329.440 3.344 50 0 EGAAMO Cc1ccccc1C(=O)NCCC[N@@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000017135851 453629920 /nfs/dbraw/zinc/62/99/20/453629920.db2.gz WBUGZPZBAGOOCG-HXUWFJFHSA-N 1 1 338.451 3.188 50 0 EGAAMO Cc1ccccc1C(=O)NCCC[N@H+]1CCO[C@@H](c2ccccc2)C1 ZINC000017135851 453629923 /nfs/dbraw/zinc/62/99/23/453629923.db2.gz WBUGZPZBAGOOCG-HXUWFJFHSA-N 1 1 338.451 3.188 50 0 EGAAMO C[C@@H]1C[N@@H+](C[C@H](O)COc2ccc(-c3ccccc3)cc2)C[C@H](C)O1 ZINC000017246979 453632099 /nfs/dbraw/zinc/63/20/99/453632099.db2.gz AOJZWBFZAWYLFD-QKLQHJQFSA-N 1 1 341.451 3.203 50 0 EGAAMO C[C@@H]1C[N@H+](C[C@H](O)COc2ccc(-c3ccccc3)cc2)C[C@H](C)O1 ZINC000017246979 453632102 /nfs/dbraw/zinc/63/21/02/453632102.db2.gz AOJZWBFZAWYLFD-QKLQHJQFSA-N 1 1 341.451 3.203 50 0 EGAAMO C[N@@H+]1Cc2sc3[nH]c(-c4ccccc4)nc(=O)c3c2CC1(C)C ZINC000024983179 453752960 /nfs/dbraw/zinc/75/29/60/453752960.db2.gz ZQQBGJUKADLFQX-UHFFFAOYSA-N 1 1 325.437 3.418 50 0 EGAAMO C[N@H+]1Cc2sc3[nH]c(-c4ccccc4)nc(=O)c3c2CC1(C)C ZINC000024983179 453752963 /nfs/dbraw/zinc/75/29/63/453752963.db2.gz ZQQBGJUKADLFQX-UHFFFAOYSA-N 1 1 325.437 3.418 50 0 EGAAMO Nc1cc[nH+]c(N2CCc3[nH]nc(-c4cccc5ccccc54)c3C2)n1 ZINC000067846720 453972377 /nfs/dbraw/zinc/97/23/77/453972377.db2.gz YVCFOMVLBNPTKK-UHFFFAOYSA-N 1 1 342.406 3.165 50 0 EGAAMO CCOc1cc(C[NH+]2CCN(c3ccccc3F)CC2)ccc1O ZINC000055543933 453993195 /nfs/dbraw/zinc/99/31/95/453993195.db2.gz AQOMDMBPUXTQFF-UHFFFAOYSA-N 1 1 330.403 3.252 50 0 EGAAMO C[N@H+]1CCCC[C@@H]1CCn1cnc2c(cccc2C(F)(F)F)c1=O ZINC000043135991 454043150 /nfs/dbraw/zinc/04/31/50/454043150.db2.gz MGNOFUIBXBONHZ-GFCCVEGCSA-N 1 1 339.361 3.290 50 0 EGAAMO Cc1ccc(OC2CCN(C(=O)C[C@@H]3CCCC[N@@H+]3C)CC2)cc1 ZINC000077374893 454098443 /nfs/dbraw/zinc/09/84/43/454098443.db2.gz KOSPZFIMOFNUHR-KRWDZBQOSA-N 1 1 330.472 3.239 50 0 EGAAMO Cc1[nH+]ccn1CC[C@H]1CCCCN1C(=O)Cc1ccc(F)cc1 ZINC000077538611 454119532 /nfs/dbraw/zinc/11/95/32/454119532.db2.gz QBHIABMVNKKOEJ-GOSISDBHSA-N 1 1 329.419 3.345 50 0 EGAAMO Cc1cccc([C@@H](C(=O)N2CCC3(CCOCC3)CC2)[NH+](C)C)c1 ZINC000095377262 454199444 /nfs/dbraw/zinc/19/94/44/454199444.db2.gz JJLOUBGTEDYSSO-SFHVURJKSA-N 1 1 330.472 3.017 50 0 EGAAMO Cc1c(O)cccc1C(=O)N1CCC[N@@H+](CC2CC2)[C@@H](C(C)C)C1 ZINC000071746526 454211630 /nfs/dbraw/zinc/21/16/30/454211630.db2.gz JLFQAYAGTBYVBH-GOSISDBHSA-N 1 1 330.472 3.283 50 0 EGAAMO COc1ccc(F)c(-c2nc(C[N@H+]3CCC[C@H](CO)C3)c(C)o2)c1 ZINC000071755362 454214447 /nfs/dbraw/zinc/21/44/47/454214447.db2.gz ANMQZXUMNAELDW-ZDUSSCGKSA-N 1 1 334.391 3.002 50 0 EGAAMO COc1ccc(-c2nc(C[N@H+]3CCC[C@@](C)(O)C3)c(C)o2)cc1OC ZINC000071767649 454216935 /nfs/dbraw/zinc/21/69/35/454216935.db2.gz VJUBXLOHMVDTKC-LJQANCHMSA-N 1 1 346.427 3.014 50 0 EGAAMO CC(C)(C)n1nc(-c2cccnc2)nc1CC[N@H+]1C[C@@H]2CC[C@H]1C2 ZINC000095504479 454223757 /nfs/dbraw/zinc/22/37/57/454223757.db2.gz NWSIRTMPVSIARN-ZBFHGGJFSA-N 1 1 325.460 3.122 50 0 EGAAMO C[C@@H](O)c1cccc(N2CCC(c3[nH+]ccn3CC3CC3)CC2)n1 ZINC000095505713 454224442 /nfs/dbraw/zinc/22/44/42/454224442.db2.gz NGMKDFKDGJQIBJ-CQSZACIVSA-N 1 1 326.444 3.125 50 0 EGAAMO O=S1(=O)C[C@](c2ccccc2)([NH+]2CCCC2)[C@@H]1c1ccccc1 ZINC000095891445 454232022 /nfs/dbraw/zinc/23/20/22/454232022.db2.gz OPHJQSOZJCCVLO-RBUKOAKNSA-N 1 1 327.449 3.147 50 0 EGAAMO Cc1ccc(NC[C@H]2CC[N@H+](Cc3nnc(-c4ccccc4)o3)C2)nc1 ZINC000097200756 454423675 /nfs/dbraw/zinc/42/36/75/454423675.db2.gz CWWUJCUFNSRLFO-MRXNPFEDSA-N 1 1 349.438 3.374 50 0 EGAAMO Cc1ccc(NC[C@H]2CC[N@@H+](Cc3nnc(-c4ccccc4)o3)C2)nc1 ZINC000097200756 454423678 /nfs/dbraw/zinc/42/36/78/454423678.db2.gz CWWUJCUFNSRLFO-MRXNPFEDSA-N 1 1 349.438 3.374 50 0 EGAAMO Nc1cc[nH+]c(N2CCC[C@H](C(=O)c3cccc4ccccc43)C2)n1 ZINC000091351039 454430310 /nfs/dbraw/zinc/43/03/10/454430310.db2.gz PGNWCPASRRNSFX-HNNXBMFYSA-N 1 1 332.407 3.311 50 0 EGAAMO C[N@@H+](CCCNC(=O)c1ccccc1-c1ncc[nH]1)C1CCCC1 ZINC000097532893 454440496 /nfs/dbraw/zinc/44/04/96/454440496.db2.gz QPQWMNTYKGCZIX-UHFFFAOYSA-N 1 1 326.444 3.071 50 0 EGAAMO O=C(C1CCCCCC1)N1C[C@H]2CC[C@@H]1C[N@@H+](Cc1ccccn1)C2 ZINC000091548599 454444511 /nfs/dbraw/zinc/44/45/11/454444511.db2.gz FJFMKXSXOUKMKG-FXAWDEMLSA-N 1 1 341.499 3.475 50 0 EGAAMO O=C(NCc1ccco1)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000064609561 454493788 /nfs/dbraw/zinc/49/37/88/454493788.db2.gz VWYMYMRXJIXVCD-AWEZNQCLSA-N 1 1 333.457 3.053 50 0 EGAAMO C[N@@H+](Cc1cccn1-c1ncccn1)Cc1cccc2cnccc21 ZINC000065370735 454554705 /nfs/dbraw/zinc/55/47/05/454554705.db2.gz NYVNYZMUPSOVFC-UHFFFAOYSA-N 1 1 329.407 3.448 50 0 EGAAMO Cc1ccsc1[C@@H]1CC[N@@H+](Cc2c(C)nn(C)c2Cl)C[C@H]1O ZINC000065374055 454556032 /nfs/dbraw/zinc/55/60/32/454556032.db2.gz NTDUGMXGHBMJJN-TZMCWYRMSA-N 1 1 339.892 3.102 50 0 EGAAMO Cc1ccsc1[C@@H]1CC[N@H+](Cc2c(C)nn(C)c2Cl)C[C@H]1O ZINC000065374055 454556036 /nfs/dbraw/zinc/55/60/36/454556036.db2.gz NTDUGMXGHBMJJN-TZMCWYRMSA-N 1 1 339.892 3.102 50 0 EGAAMO Cc1ccsc1[C@@H]1CC[N@@H+](Cc2cccc3nsnc32)C[C@H]1O ZINC000065385642 454557525 /nfs/dbraw/zinc/55/75/25/454557525.db2.gz IZJZHDCNTRRNAU-UKRRQHHQSA-N 1 1 345.493 3.412 50 0 EGAAMO CSc1cccc(CNc2nc(C)nc3c2CC[N@@H+](C)CC3)c1 ZINC000065396677 454558586 /nfs/dbraw/zinc/55/85/86/454558586.db2.gz DITRQUCHJVFAIF-UHFFFAOYSA-N 1 1 328.485 3.149 50 0 EGAAMO Cc1c(C[N@H+](C)Cc2cccn2-c2ccc(Cl)cn2)cnn1C ZINC000065409652 454561276 /nfs/dbraw/zinc/56/12/76/454561276.db2.gz KXGPMLDNLJQPMH-UHFFFAOYSA-N 1 1 329.835 3.200 50 0 EGAAMO Cc1c(C[N@@H+](C)Cc2cccn2-c2ccc(Cl)cn2)cnn1C ZINC000065409652 454561284 /nfs/dbraw/zinc/56/12/84/454561284.db2.gz KXGPMLDNLJQPMH-UHFFFAOYSA-N 1 1 329.835 3.200 50 0 EGAAMO C[N@H+](Cc1cccnc1)C[C@H]1CC[C@@H](Cc2ccc3c(c2)OCO3)O1 ZINC000065528529 454584925 /nfs/dbraw/zinc/58/49/25/454584925.db2.gz XGJWUWROKRNIFH-ZWKOTPCHSA-N 1 1 340.423 3.032 50 0 EGAAMO Cc1ncsc1CC[N@@H+](C)CCC(=O)Nc1cc(F)ccc1F ZINC000252510243 455818272 /nfs/dbraw/zinc/81/82/72/455818272.db2.gz ZFHRITBIDSEKAL-UHFFFAOYSA-N 1 1 339.411 3.233 50 0 EGAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)COc1cccc2c1ccn2C(C)C ZINC000253394674 455838627 /nfs/dbraw/zinc/83/86/27/455838627.db2.gz AFAWLACBUFFTBJ-MRXNPFEDSA-N 1 1 343.471 3.202 50 0 EGAAMO COC[C@H](c1ccccn1)[N@@H+](C)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000215480185 456025749 /nfs/dbraw/zinc/02/57/49/456025749.db2.gz ITGWDPRPJOAOLP-LJQANCHMSA-N 1 1 337.423 3.051 50 0 EGAAMO CC(C)c1[nH+]ccn1[C@@H](C)C(=O)NCc1ccccc1-n1cccn1 ZINC000219881856 456036397 /nfs/dbraw/zinc/03/63/97/456036397.db2.gz GKZLCZCBBMTMOQ-HNNXBMFYSA-N 1 1 337.427 3.070 50 0 EGAAMO CC(C)(C)C[N@H+]1CCN(Cc2cc3ccccc3o2)C[C@H]1CCO ZINC000225262830 456075007 /nfs/dbraw/zinc/07/50/07/456075007.db2.gz ZVJHESVZYATRHV-QGZVFWFLSA-N 1 1 330.472 3.348 50 0 EGAAMO COCC[N@H+]1CC[C@@H](CNC(=O)c2cccc(-c3ccsc3)c2)C1 ZINC000299774507 456781303 /nfs/dbraw/zinc/78/13/03/456781303.db2.gz DCHVCHZBRGVLHB-HNNXBMFYSA-N 1 1 344.480 3.113 50 0 EGAAMO CCN(Cc1ccc(Cl)cc1)c1cc([C@H]2CCOC2)[nH+]c(N)n1 ZINC000426567145 457856496 /nfs/dbraw/zinc/85/64/96/457856496.db2.gz TZWOCEPNISYLQW-ZDUSSCGKSA-N 1 1 332.835 3.073 50 0 EGAAMO CCC[N@H+]1CC[C@@H](CNC(=O)N(C)Cc2cc3cc(F)ccc3[nH]2)C1 ZINC000534655214 459342526 /nfs/dbraw/zinc/34/25/26/459342526.db2.gz IDJRNOFJEZBGGX-AWEZNQCLSA-N 1 1 346.450 3.180 50 0 EGAAMO CC[N@H+](CCC(=O)Nc1ccccc1C(C)C)Cc1nccn1C ZINC000244633587 535706554 /nfs/dbraw/zinc/70/65/54/535706554.db2.gz GFMWWEIQGKNVGC-UHFFFAOYSA-N 1 1 328.460 3.394 50 0 EGAAMO CC[N@@H+](CCC(=O)Nc1ccccc1C(C)C)Cc1nccn1C ZINC000244633587 535706557 /nfs/dbraw/zinc/70/65/57/535706557.db2.gz GFMWWEIQGKNVGC-UHFFFAOYSA-N 1 1 328.460 3.394 50 0 EGAAMO COc1ccc(C[NH+]2CCC(c3nc4ccc(F)cc4[nH]3)CC2)cn1 ZINC000670449793 548217061 /nfs/dbraw/zinc/21/70/61/548217061.db2.gz ZOLTTXKMXKYOGF-UHFFFAOYSA-N 1 1 340.402 3.485 50 0 EGAAMO Cc1c2ccccc2[nH]c1C[N@@H+](C)C[C@H]1Cc2c(nc(C)nc2C)O1 ZINC000670452015 548218447 /nfs/dbraw/zinc/21/84/47/548218447.db2.gz YRSFXDKYGOJGNJ-OAHLLOKOSA-N 1 1 336.439 3.319 50 0 EGAAMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)CCc1ccc(O)cc1 ZINC000680633978 549888429 /nfs/dbraw/zinc/88/84/29/549888429.db2.gz DMRQRHJZOPSBHI-UHFFFAOYSA-N 1 1 335.407 3.135 50 0 EGAAMO Cc1ccccc1-c1cnnc(N(C)C[C@@H]2CC[N@H+](CC(C)C)C2)n1 ZINC000012581967 1291132864 /nfs/dbraw/zinc/13/28/64/1291132864.db2.gz ORCGJGXYEVOVGM-KRWDZBQOSA-N 1 1 339.487 3.261 50 0 EGAAMO CN1CCC[C@]2(CC[N@@H+](Cc3ccccc3OC3CCCC3)C2)C1=O ZINC000012612083 1291133022 /nfs/dbraw/zinc/13/30/22/1291133022.db2.gz YROGZGADZZWSTP-OAQYLSRUSA-N 1 1 342.483 3.452 50 0 EGAAMO COc1ccc(CN2CC[N@H+](Cc3ccccc3F)CCC2=O)cc1 ZINC000019226681 1291192560 /nfs/dbraw/zinc/19/25/60/1291192560.db2.gz YWNQMSFUFHLWSQ-UHFFFAOYSA-N 1 1 342.414 3.069 50 0 EGAAMO COc1ccc(CN2CC[N@@H+](Cc3ccccc3F)CCC2=O)cc1 ZINC000019226681 1291192564 /nfs/dbraw/zinc/19/25/64/1291192564.db2.gz YWNQMSFUFHLWSQ-UHFFFAOYSA-N 1 1 342.414 3.069 50 0 EGAAMO COc1ccc(F)c(C[N@H+]2CCC(=O)N(CC3CCCCC3)CC2)c1 ZINC000020854632 1291196169 /nfs/dbraw/zinc/19/61/69/1291196169.db2.gz RRDASCKEMXOTJX-UHFFFAOYSA-N 1 1 348.462 3.449 50 0 EGAAMO COc1ccc(F)c(C[N@@H+]2CCC(=O)N(CC3CCCCC3)CC2)c1 ZINC000020854632 1291196177 /nfs/dbraw/zinc/19/61/77/1291196177.db2.gz RRDASCKEMXOTJX-UHFFFAOYSA-N 1 1 348.462 3.449 50 0 EGAAMO C[N@H+]1CCN(Cc2ccc(-c3cccc(Cl)c3)o2)C[C@H]1CCO ZINC000104365757 1293022211 /nfs/dbraw/zinc/02/22/11/1293022211.db2.gz GHZDIHIOVHHDEW-MRXNPFEDSA-N 1 1 334.847 3.098 50 0 EGAAMO CN1CC[N@H+](Cc2ccc(-c3cccc(Cl)c3)o2)C[C@H]1CCO ZINC000104365757 1293022231 /nfs/dbraw/zinc/02/22/31/1293022231.db2.gz GHZDIHIOVHHDEW-MRXNPFEDSA-N 1 1 334.847 3.098 50 0 EGAAMO CN1CC[N@@H+](Cc2ccc(-c3cccc(Cl)c3)o2)C[C@H]1CCO ZINC000104365757 1293022241 /nfs/dbraw/zinc/02/22/41/1293022241.db2.gz GHZDIHIOVHHDEW-MRXNPFEDSA-N 1 1 334.847 3.098 50 0 EGAAMO COc1cc(C(=O)N[C@@H]2CCC[N@@H+](Cc3cccs3)C2)ccc1F ZINC000824594336 1320268836 /nfs/dbraw/zinc/26/88/36/1320268836.db2.gz XEWOOHOKRWACGN-CQSZACIVSA-N 1 1 348.443 3.290 50 0 EGAAMO Cc1[nH+]ccn1CCC(=O)Nc1ccc(NC(=O)CC(C)C)cc1 ZINC000820943484 1319982894 /nfs/dbraw/zinc/98/28/94/1319982894.db2.gz MQPQTNRKBVTTKG-UHFFFAOYSA-N 1 1 328.416 3.205 50 0 EGAAMO C[N@H+](CCCn1cccn1)Cc1cc(CN2CCCCC2)cs1 ZINC000823719933 1320201134 /nfs/dbraw/zinc/20/11/34/1320201134.db2.gz YNKAYULAXVWVRV-UHFFFAOYSA-N 1 1 332.517 3.453 50 0 EGAAMO C[N@@H+](CCCn1cccn1)Cc1cc(CN2CCCCC2)cs1 ZINC000823719933 1320201137 /nfs/dbraw/zinc/20/11/37/1320201137.db2.gz YNKAYULAXVWVRV-UHFFFAOYSA-N 1 1 332.517 3.453 50 0 EGAAMO CCC[N@H+]1CCC[C@H](Nc2cc(C)nc(-c3ccccc3[O-])n2)C1 ZINC000952966037 1334626327 /nfs/dbraw/zinc/62/63/27/1334626327.db2.gz HOODNXZUDJVJJH-HNNXBMFYSA-N 1 1 326.444 3.444 50 0 EGAAMO CCC[N@@H+]1CCC[C@H](Nc2cc(C)nc(-c3ccccc3O)n2)C1 ZINC000952966037 1334626329 /nfs/dbraw/zinc/62/63/29/1334626329.db2.gz HOODNXZUDJVJJH-HNNXBMFYSA-N 1 1 326.444 3.444 50 0 EGAAMO CCC[N@H+]1CCC[C@H](Nc2cc(C)nc(-c3ccccc3O)n2)C1 ZINC000952966037 1334626333 /nfs/dbraw/zinc/62/63/33/1334626333.db2.gz HOODNXZUDJVJJH-HNNXBMFYSA-N 1 1 326.444 3.444 50 0 EGAAMO Cc1[nH+]ccn1Cc1ccccc1NC(=O)c1nc2ccccn2c1F ZINC000952980943 1334629794 /nfs/dbraw/zinc/62/97/94/1334629794.db2.gz YLTQHGTUNJLHNE-UHFFFAOYSA-N 1 1 349.369 3.279 50 0 EGAAMO CC[C@H]1CCCCN1CC(=O)Nc1cccc(C[NH+]2CCCC2)c1 ZINC000952984294 1334630691 /nfs/dbraw/zinc/63/06/91/1334630691.db2.gz ZMPXVUCHILDACX-IBGZPJMESA-N 1 1 329.488 3.485 50 0 EGAAMO CC[C@@]1(O)CCC[C@@H]2C[N@@H+](Cc3cc4ccccc4[nH]c3=O)C[C@@H]21 ZINC001704300964 1416432879 /nfs/dbraw/zinc/43/28/79/1416432879.db2.gz DCGVFEOYBNVNFE-OXFYSEKESA-N 1 1 326.440 3.313 50 0 EGAAMO Cc1cccnc1C[NH+]1CCN(c2nc(C)nc3sccc32)CC1 ZINC001704311390 1416439078 /nfs/dbraw/zinc/43/90/78/1416439078.db2.gz HOIBMZVEHMZARU-UHFFFAOYSA-N 1 1 339.468 3.025 50 0 EGAAMO OCC[N@@H+](Cc1ncc[nH]1)C[C@H]1CC1(c1ccccc1)c1ccccc1 ZINC001704330341 1416445659 /nfs/dbraw/zinc/44/56/59/1416445659.db2.gz HZRXFDQHORQVGP-HXUWFJFHSA-N 1 1 347.462 3.210 50 0 EGAAMO OCC[N@H+](Cc1ncc[nH]1)C[C@H]1CC1(c1ccccc1)c1ccccc1 ZINC001704330341 1416445661 /nfs/dbraw/zinc/44/56/61/1416445661.db2.gz HZRXFDQHORQVGP-HXUWFJFHSA-N 1 1 347.462 3.210 50 0 EGAAMO O[C@@H]1C[N@H+](Cc2cc(C3CC3)on2)C[C@H]1Cc1ccc2ccccc2n1 ZINC001704337104 1416448258 /nfs/dbraw/zinc/44/82/58/1416448258.db2.gz VGIRUYUJPWECQW-OXQOHEQNSA-N 1 1 349.434 3.136 50 0 EGAAMO O[C@@H]1C[N@@H+](Cc2cc(C3CC3)on2)C[C@H]1Cc1ccc2ccccc2n1 ZINC001704337104 1416448260 /nfs/dbraw/zinc/44/82/60/1416448260.db2.gz VGIRUYUJPWECQW-OXQOHEQNSA-N 1 1 349.434 3.136 50 0 EGAAMO Cc1cc(C(F)(F)F)cc(N[C@H]2COC[C@H]2Cc2ccncc2)[nH+]1 ZINC001704344206 1416449725 /nfs/dbraw/zinc/44/97/25/1416449725.db2.gz RAQDOOGPHJDRKC-HIFRSBDPSA-N 1 1 337.345 3.473 50 0 EGAAMO COc1ccc(C[N@H+]2CCC[C@@H](Cn3ccnc3)C2)c(Cl)c1OC ZINC000097610010 219041045 /nfs/dbraw/zinc/04/10/45/219041045.db2.gz JQFZUKAPVXPIIH-CQSZACIVSA-N 1 1 349.862 3.466 50 0 EGAAMO CC(C)[C@H](C)[N@@H+](Cc1ccco1)Cc1cccc(OCC(N)=O)c1 ZINC000055088546 214270717 /nfs/dbraw/zinc/27/07/17/214270717.db2.gz GZSMISBMXBDBRI-HNNXBMFYSA-N 1 1 330.428 3.190 50 0 EGAAMO COCC[N@@H+](Cc1ccc(C)cc1)Cc1ccc(OC)c(CO)c1 ZINC000055252687 214295970 /nfs/dbraw/zinc/29/59/70/214295970.db2.gz SAIAJWBLRVJNGG-UHFFFAOYSA-N 1 1 329.440 3.145 50 0 EGAAMO Cc1ccsc1C(=O)N[C@H]1CCC[N@@H+](Cc2c(C)noc2C)C1 ZINC000098211913 219087548 /nfs/dbraw/zinc/08/75/48/219087548.db2.gz SIRJHACNNRLPID-AWEZNQCLSA-N 1 1 333.457 3.056 50 0 EGAAMO Cc1ccsc1C(=O)N[C@H]1CCC[N@H+](Cc2c(C)noc2C)C1 ZINC000098211913 219087549 /nfs/dbraw/zinc/08/75/49/219087549.db2.gz SIRJHACNNRLPID-AWEZNQCLSA-N 1 1 333.457 3.056 50 0 EGAAMO C/C(=C\c1ccco1)C[N@H+]1CC[C@@H](c2ccc3c(c2)OCO3)[C@H](O)C1 ZINC000067432218 215143950 /nfs/dbraw/zinc/14/39/50/215143950.db2.gz ACOAWZCJUFRWFC-OBNAIBOFSA-N 1 1 341.407 3.262 50 0 EGAAMO CC(C)C[C@H]1C[N@@H+](Cc2cnc(-c3ccco3)nc2)CC[C@@]1(C)O ZINC000067460182 215149820 /nfs/dbraw/zinc/14/98/20/215149820.db2.gz IYVBFOGYRJIGKS-QFBILLFUSA-N 1 1 329.444 3.356 50 0 EGAAMO Cc1cc2nc(C[N@H+](C)CCC(=O)Nc3nccs3)[nH]c2cc1C ZINC000067674302 215178609 /nfs/dbraw/zinc/17/86/09/215178609.db2.gz RZWGBBHLDWMFBH-UHFFFAOYSA-N 1 1 343.456 3.097 50 0 EGAAMO Cc1cc2nc(C[N@@H+](C)CCC(=O)Nc3nccs3)[nH]c2cc1C ZINC000067674302 215178612 /nfs/dbraw/zinc/17/86/12/215178612.db2.gz RZWGBBHLDWMFBH-UHFFFAOYSA-N 1 1 343.456 3.097 50 0 EGAAMO Fc1cccc(-c2c[nH]nc2C2CC[NH+](Cc3ncc[nH]3)CC2)c1 ZINC000067679034 215182885 /nfs/dbraw/zinc/18/28/85/215182885.db2.gz OXYFXFFMQJTIKW-UHFFFAOYSA-N 1 1 325.391 3.319 50 0 EGAAMO Cc1ccc(F)c(NC(=O)CC[N@H+](C)Cc2[nH]nc3c2CCCC3)c1 ZINC000067713172 215190315 /nfs/dbraw/zinc/19/03/15/215190315.db2.gz RURUJSMBTZZVDW-UHFFFAOYSA-N 1 1 344.434 3.197 50 0 EGAAMO Cc1c[nH+]ccc1-n1nc(C2CC2)nc1-c1ccccc1-c1nnc[nH]1 ZINC000067755852 215204254 /nfs/dbraw/zinc/20/42/54/215204254.db2.gz FEYDQNZBKIMTKC-UHFFFAOYSA-N 1 1 343.394 3.300 50 0 EGAAMO Cc1cccc2cc(C[N@H+]3CCCC[C@@H]3c3ccn(C)n3)c(=O)[nH]c12 ZINC000067790545 215213586 /nfs/dbraw/zinc/21/35/86/215213586.db2.gz MFANUQMSWKPGDB-GOSISDBHSA-N 1 1 336.439 3.297 50 0 EGAAMO Cc1cccc2cc(C[N@@H+]3CCCC[C@@H]3c3ccn(C)n3)c(=O)[nH]c12 ZINC000067790545 215213588 /nfs/dbraw/zinc/21/35/88/215213588.db2.gz MFANUQMSWKPGDB-GOSISDBHSA-N 1 1 336.439 3.297 50 0 EGAAMO COc1ccc(F)c(C[NH+]2CCC(NC(=O)OC(C)(C)C)CC2)c1 ZINC000067801031 215215136 /nfs/dbraw/zinc/21/51/36/215215136.db2.gz SVGKUCAQCZVYJX-UHFFFAOYSA-N 1 1 338.423 3.323 50 0 EGAAMO C[C@@]1(O)CC[N@@H+](Cc2cccc3nonc32)C[C@@H]1Cc1ccccc1 ZINC000067833489 215224093 /nfs/dbraw/zinc/22/40/93/215224093.db2.gz MJZGGVKVEIOMII-FXAWDEMLSA-N 1 1 337.423 3.038 50 0 EGAAMO CCc1nc(C)c(C[N@H+]2CC[C@@](C)(O)[C@@H](Cc3ccccc3)C2)[nH]1 ZINC000067846800 215228949 /nfs/dbraw/zinc/22/89/49/215228949.db2.gz BSQAEISDMSDFEP-FXAWDEMLSA-N 1 1 327.472 3.096 50 0 EGAAMO Cc1[nH+]ccn1CC1(CNC(=O)c2[nH]c3ccc(C)cc3c2C)CC1 ZINC000067885604 215241252 /nfs/dbraw/zinc/24/12/52/215241252.db2.gz SHKMTEDRVDIWON-UHFFFAOYSA-N 1 1 336.439 3.500 50 0 EGAAMO c1ccc2[nH]c(C[NH+]3CCC(Cc4noc(C5CC5)n4)CC3)nc2c1 ZINC000067966054 215263110 /nfs/dbraw/zinc/26/31/10/215263110.db2.gz ZNQWVVDMWRQYTP-UHFFFAOYSA-N 1 1 337.427 3.278 50 0 EGAAMO COC(=O)CC[C@H](C)[N@H+]1CCc2onc(-c3cccc(OC)c3)c2C1 ZINC000039466961 213237659 /nfs/dbraw/zinc/23/76/59/213237659.db2.gz YYUXHBFGKODZBN-ZDUSSCGKSA-N 1 1 344.411 3.050 50 0 EGAAMO O=C(NCCC[N@@H+]1CCO[C@H](c2ccccc2)C1)c1cccc(F)c1 ZINC000035592983 213040274 /nfs/dbraw/zinc/04/02/74/213040274.db2.gz PJDYFIVVVNZXEW-IBGZPJMESA-N 1 1 342.414 3.019 50 0 EGAAMO O=C(NCCC[N@H+]1CCO[C@H](c2ccccc2)C1)c1cccc(F)c1 ZINC000035592983 213040279 /nfs/dbraw/zinc/04/02/79/213040279.db2.gz PJDYFIVVVNZXEW-IBGZPJMESA-N 1 1 342.414 3.019 50 0 EGAAMO CN(C(=O)c1ccccc1O)[C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000072145570 216032926 /nfs/dbraw/zinc/03/29/26/216032926.db2.gz NUGZMTQDUPIQIL-GOSISDBHSA-N 1 1 338.451 3.171 50 0 EGAAMO Cc1ccccc1CC[C@H]1CCC[N@H+](CC(=O)Nc2cnn(C)c2)C1 ZINC000072146566 216033569 /nfs/dbraw/zinc/03/35/69/216033569.db2.gz BERIQFHQESTHOI-QGZVFWFLSA-N 1 1 340.471 3.012 50 0 EGAAMO Cc1ccc([C@H](C)CC[N@H+](C)Cc2nc3ccccc3c(=O)[nH]2)o1 ZINC000072146953 216034176 /nfs/dbraw/zinc/03/41/76/216034176.db2.gz QQQYJXYAXNCSIY-CYBMUJFWSA-N 1 1 325.412 3.450 50 0 EGAAMO Cc1ccc([C@H](C)CC[N@@H+](C)Cc2nc3ccccc3c(=O)[nH]2)o1 ZINC000072146953 216034179 /nfs/dbraw/zinc/03/41/79/216034179.db2.gz QQQYJXYAXNCSIY-CYBMUJFWSA-N 1 1 325.412 3.450 50 0 EGAAMO CCNC(=O)C[N@H+]1CCC[C@@H](CCc2cccc(C(F)(F)F)c2)C1 ZINC000072153702 216042140 /nfs/dbraw/zinc/04/21/40/216042140.db2.gz BTLWXAXUJOAKDD-HNNXBMFYSA-N 1 1 342.405 3.486 50 0 EGAAMO CC(C)C(=O)N1C[C@@H](c2cc(F)cc(F)c2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000072148727 216036175 /nfs/dbraw/zinc/03/61/75/216036175.db2.gz ISYYKZLBGMLUGJ-RCCFBDPRSA-N 1 1 334.410 3.009 50 0 EGAAMO c1ccc(SCC[N@H+]2CCCC[C@@H]2CCN2CCOCC2)cc1 ZINC000072153917 216042800 /nfs/dbraw/zinc/04/28/00/216042800.db2.gz ISGZOAKKCKVGHK-GOSISDBHSA-N 1 1 334.529 3.356 50 0 EGAAMO Cc1cccc(CN2CCN(CC(C)(C)C[NH+]3CCCC3)CC2)c1 ZINC000072156906 216047023 /nfs/dbraw/zinc/04/70/23/216047023.db2.gz JVVXPIUCLMSWCG-UHFFFAOYSA-N 1 1 329.532 3.235 50 0 EGAAMO C[N@@H+](Cc1cnc(N2CCOCC2)s1)[C@H]1CCCc2ccccc21 ZINC000072168208 216059575 /nfs/dbraw/zinc/05/95/75/216059575.db2.gz FBYCFCSZNQVMAM-SFHVURJKSA-N 1 1 343.496 3.489 50 0 EGAAMO Cc1cc2n(n1)CCC[N@@H+](Cc1ccc(CCC(C)(C)O)cc1)C2 ZINC000072436041 216231494 /nfs/dbraw/zinc/23/14/94/216231494.db2.gz QYZSPJOHBSWLMK-UHFFFAOYSA-N 1 1 327.472 3.301 50 0 EGAAMO C[N@H+](Cc1[nH]nc2c1CCC2)Cc1ccc(CCC(C)(C)O)cc1 ZINC000072454552 216242499 /nfs/dbraw/zinc/24/24/99/216242499.db2.gz XODKXHHVXGBICP-UHFFFAOYSA-N 1 1 327.472 3.234 50 0 EGAAMO C[N@@H+](Cc1[nH]nc2c1CCC2)Cc1ccc(CCC(C)(C)O)cc1 ZINC000072454552 216242504 /nfs/dbraw/zinc/24/25/04/216242504.db2.gz XODKXHHVXGBICP-UHFFFAOYSA-N 1 1 327.472 3.234 50 0 EGAAMO Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C[N@@H+]1CC[C@H](O)C1 ZINC000072478239 216256914 /nfs/dbraw/zinc/25/69/14/216256914.db2.gz KEOQEKHACHUSNV-ZDUSSCGKSA-N 1 1 326.318 3.235 50 0 EGAAMO Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C[N@H+]1CC[C@H](O)C1 ZINC000072478239 216256917 /nfs/dbraw/zinc/25/69/17/216256917.db2.gz KEOQEKHACHUSNV-ZDUSSCGKSA-N 1 1 326.318 3.235 50 0 EGAAMO Oc1ccc(N2CC[NH+](Cc3cnc(-c4ccccc4)nc3)CC2)cc1 ZINC000196897303 241034419 /nfs/dbraw/zinc/03/44/19/241034419.db2.gz PBVXHIGWUOODEU-UHFFFAOYSA-N 1 1 346.434 3.171 50 0 EGAAMO Cc1ccc(Oc2ccc(C[N@H+]3CC[C@@](O)(CO)C3)cc2)cc1C ZINC000215220172 241115701 /nfs/dbraw/zinc/11/57/01/241115701.db2.gz LIGLBJLQMZGGLF-FQEVSTJZSA-N 1 1 327.424 3.025 50 0 EGAAMO CC(C)C[N@@H+](Cc1cnn(C)c1)Cc1cc(F)ccc1-n1cccn1 ZINC000216003167 241156470 /nfs/dbraw/zinc/15/64/70/241156470.db2.gz PCDNDRNIFPWKOC-UHFFFAOYSA-N 1 1 341.434 3.403 50 0 EGAAMO C[N@@H+](Cc1cnc(NCc2ccccc2)nc1)C1CCSCC1 ZINC000215363063 241123646 /nfs/dbraw/zinc/12/36/46/241123646.db2.gz XTHVBJMVIIEGLH-UHFFFAOYSA-N 1 1 328.485 3.416 50 0 EGAAMO COc1ccc2[nH]c(C[N@H+]3CCC[C@@H](c4nnc(C)[nH]4)C3)c(C)c2c1 ZINC000215496833 241129306 /nfs/dbraw/zinc/12/93/06/241129306.db2.gz BYOLXHLZKGISIA-CQSZACIVSA-N 1 1 339.443 3.291 50 0 EGAAMO COc1ccc2[nH]c(C[N@@H+]3CCC[C@@H](c4nc(C)n[nH]4)C3)c(C)c2c1 ZINC000215496833 241129311 /nfs/dbraw/zinc/12/93/11/241129311.db2.gz BYOLXHLZKGISIA-CQSZACIVSA-N 1 1 339.443 3.291 50 0 EGAAMO COc1ccc2[nH]c(C[N@H+]3CCC[C@@H](c4nc(C)n[nH]4)C3)c(C)c2c1 ZINC000215496833 241129316 /nfs/dbraw/zinc/12/93/16/241129316.db2.gz BYOLXHLZKGISIA-CQSZACIVSA-N 1 1 339.443 3.291 50 0 EGAAMO COc1ccc2[nH]c(C[N@@H+]3CCC[C@@H](c4n[nH]c(C)n4)C3)c(C)c2c1 ZINC000215496833 241129337 /nfs/dbraw/zinc/12/93/37/241129337.db2.gz BYOLXHLZKGISIA-CQSZACIVSA-N 1 1 339.443 3.291 50 0 EGAAMO COc1ccc2[nH]c(C[N@H+]3CCC[C@@H](c4n[nH]c(C)n4)C3)c(C)c2c1 ZINC000215496833 241129341 /nfs/dbraw/zinc/12/93/41/241129341.db2.gz BYOLXHLZKGISIA-CQSZACIVSA-N 1 1 339.443 3.291 50 0 EGAAMO C[NH+]1CCN(Cc2ccccc2C(=O)c2ccccc2Cl)CC1 ZINC000022028214 212271553 /nfs/dbraw/zinc/27/15/53/212271553.db2.gz CJVXUWILMMYUAG-UHFFFAOYSA-N 1 1 328.843 3.318 50 0 EGAAMO C[NH+]1CCN(Cc2ccccc2C(=O)c2cc(F)cc(Cl)c2)CC1 ZINC000022028235 212271158 /nfs/dbraw/zinc/27/11/58/212271158.db2.gz LNYGVIZHPIQJIP-UHFFFAOYSA-N 1 1 346.833 3.458 50 0 EGAAMO COc1ccc(CCN(Cc2ccccn2)C[C@H]2CCC[N@H+]2C)cc1 ZINC000244701040 243059874 /nfs/dbraw/zinc/05/98/74/243059874.db2.gz JYWFYCMIZAWMKZ-HXUWFJFHSA-N 1 1 339.483 3.229 50 0 EGAAMO COc1ccc(CC[N@@H+](Cc2ccccn2)C[C@H]2CCCN2C)cc1 ZINC000244701040 243059881 /nfs/dbraw/zinc/05/98/81/243059881.db2.gz JYWFYCMIZAWMKZ-HXUWFJFHSA-N 1 1 339.483 3.229 50 0 EGAAMO COc1ccc(CC[N@H+](Cc2ccccn2)C[C@H]2CCCN2C)cc1 ZINC000244701040 243059885 /nfs/dbraw/zinc/05/98/85/243059885.db2.gz JYWFYCMIZAWMKZ-HXUWFJFHSA-N 1 1 339.483 3.229 50 0 EGAAMO C[C@H](CC(=O)NCCc1nc2ccc(F)cc2[nH]1)[NH+]1CCCCCC1 ZINC000244748842 243075095 /nfs/dbraw/zinc/07/50/95/243075095.db2.gz OPIRYERYUOMXLW-CQSZACIVSA-N 1 1 346.450 3.015 50 0 EGAAMO C[N@@H+]1[C@@H]2CC[C@H]1CCN(Cc1nc(-c3ccccc3Cl)no1)C2 ZINC000244787743 243082383 /nfs/dbraw/zinc/08/23/83/243082383.db2.gz QCYHCKMHHRKOGF-QWHCGFSZSA-N 1 1 332.835 3.059 50 0 EGAAMO Cc1nc(CCCNC(=O)C[N@@H+](C)Cc2ccc(F)cc2)sc1C ZINC000244787910 243082979 /nfs/dbraw/zinc/08/29/79/243082979.db2.gz QFYWGHCSNBLMKY-UHFFFAOYSA-N 1 1 349.475 3.080 50 0 EGAAMO Cc1nc(CCCNC(=O)C[N@H+](C)Cc2ccc(F)cc2)sc1C ZINC000244787910 243082987 /nfs/dbraw/zinc/08/29/87/243082987.db2.gz QFYWGHCSNBLMKY-UHFFFAOYSA-N 1 1 349.475 3.080 50 0 EGAAMO OCC[C@H]1CN(Cc2cc3ccccc3[nH]2)CC[N@H+]1C1CCCCC1 ZINC000020540926 212145337 /nfs/dbraw/zinc/14/53/37/212145337.db2.gz ZHTYOEOMAGSGRF-FQEVSTJZSA-N 1 1 341.499 3.369 50 0 EGAAMO OCC[C@H]1C[N@H+](C2CCCCCC2)CCN1Cc1ccccc1F ZINC000020515979 212142837 /nfs/dbraw/zinc/14/28/37/212142837.db2.gz VTSJRMDBFVTSHM-IBGZPJMESA-N 1 1 334.479 3.417 50 0 EGAAMO O=C(NC[C@@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccc2scnc2c1 ZINC000020426651 212127756 /nfs/dbraw/zinc/12/77/56/212127756.db2.gz ZNCNUUPYSFPONQ-HOCLYGCPSA-N 1 1 329.469 3.291 50 0 EGAAMO CC[NH+]1CCN(CCCCOc2cccc(Br)c2)CC1 ZINC000020390483 212124692 /nfs/dbraw/zinc/12/46/92/212124692.db2.gz QIKDBAKOJWTZID-UHFFFAOYSA-N 1 1 341.293 3.246 50 0 EGAAMO COc1ccccc1OC1CCN(CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000020255941 212115022 /nfs/dbraw/zinc/11/50/22/212115022.db2.gz WFJDTRRGGJBRGL-KRWDZBQOSA-N 1 1 332.488 3.413 50 0 EGAAMO C[C@H]1C[NH+](CCOCCOc2ccc(Cl)c(Cl)c2)C[C@H](C)O1 ZINC000020167067 212108326 /nfs/dbraw/zinc/10/83/26/212108326.db2.gz MJSCPZDUVFNVSC-STQMWFEESA-N 1 1 348.270 3.498 50 0 EGAAMO Cn1cccc1C[NH+]1CCN(Cc2ccc(Br)cc2)CC1 ZINC000019842163 212075227 /nfs/dbraw/zinc/07/52/27/212075227.db2.gz DTNPTULYBCFULR-UHFFFAOYSA-N 1 1 348.288 3.105 50 0 EGAAMO O=C(Nc1ccc(F)cc1F)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019834793 212074521 /nfs/dbraw/zinc/07/45/21/212074521.db2.gz XAXCBOJOBNJPNR-UHFFFAOYSA-N 1 1 331.366 3.315 50 0 EGAAMO OCC[NH+]1CCN([C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000019365515 212021464 /nfs/dbraw/zinc/02/14/64/212021464.db2.gz ZJQSBXXYLQGZBR-LJQANCHMSA-N 1 1 330.859 3.039 50 0 in-vitro EGAAMO COc1ccc(F)c(CN2CCC[C@]3(CC[N@H+](C4CCC4)C3)C2=O)c1 ZINC000012429451 211378151 /nfs/dbraw/zinc/37/81/51/211378151.db2.gz ALCZQDRRQLBXEN-HXUWFJFHSA-N 1 1 346.446 3.201 50 0 EGAAMO O=C(CSc1ccncc1)N[C@H]1CCC[N@H+](C2CCCCCC2)C1 ZINC000012434963 211380578 /nfs/dbraw/zinc/38/05/78/211380578.db2.gz KQRWSYCIUMXIFA-INIZCTEOSA-N 1 1 347.528 3.477 50 0 EGAAMO COc1ccc(C(=O)[C@@H]2CCC[N@H+](Cc3cccnc3)C2)c(OC)c1 ZINC000012434516 211380039 /nfs/dbraw/zinc/38/00/39/211380039.db2.gz LTMZJLUHQVDQPQ-MRXNPFEDSA-N 1 1 340.423 3.194 50 0 EGAAMO COc1ccc(C(=O)[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)c(OC)c1 ZINC000012434516 211380043 /nfs/dbraw/zinc/38/00/43/211380043.db2.gz LTMZJLUHQVDQPQ-MRXNPFEDSA-N 1 1 340.423 3.194 50 0 EGAAMO C[C@@H]1C[NH+](C[C@@H](O)COc2ccccc2-c2ccccc2)C[C@@H](C)O1 ZINC000012420069 211374679 /nfs/dbraw/zinc/37/46/79/211374679.db2.gz DTGMJUIAYYICOP-ZHALLVOQSA-N 1 1 341.451 3.203 50 0 EGAAMO Cc1noc(C)c1CCC(=O)N[C@@H]1CCC[N@@H+](CC2CCCCC2)C1 ZINC000012386576 211364548 /nfs/dbraw/zinc/36/45/48/211364548.db2.gz GNLNOLGSQNXIQP-GOSISDBHSA-N 1 1 347.503 3.385 50 0 EGAAMO O=C1N(CC2CCCCC2)CCC[C@]12CC[N@@H+](Cc1ccncc1)C2 ZINC000012306276 211340597 /nfs/dbraw/zinc/34/05/97/211340597.db2.gz KCSUNSKWJVZYPJ-OAQYLSRUSA-N 1 1 341.499 3.476 50 0 EGAAMO CCc1[nH]c(CN2CCO[C@@H](Cc3ccccc3Cl)C2)c(C)[nH+]1 ZINC000012304837 211338947 /nfs/dbraw/zinc/33/89/47/211338947.db2.gz INKXVMDJBUMKBM-HNNXBMFYSA-N 1 1 333.863 3.377 50 0 EGAAMO Cc1nc(C)c(C[NH2+][C@@H](C)c2cnc(-c3ccncc3)nc2C)nc1C ZINC000011840584 211254210 /nfs/dbraw/zinc/25/42/10/211254210.db2.gz SVFARQQVFRWMAO-AWEZNQCLSA-N 1 1 348.454 3.413 50 0 EGAAMO Cc1ccccc1[C@H]1CC[N@H+](CCNC(=O)c2cc(C(C)C)no2)C1 ZINC000091846582 218075868 /nfs/dbraw/zinc/07/58/68/218075868.db2.gz WEJNQAGTJARNNO-INIZCTEOSA-N 1 1 341.455 3.326 50 0 EGAAMO Cc1[nH]c2c(c1CC(=O)N1CC[N@H+]3CCCC[C@@H]3C1)c(C)ccc2C ZINC000091893932 218084861 /nfs/dbraw/zinc/08/48/61/218084861.db2.gz BPPCYFLQLQZQJS-QGZVFWFLSA-N 1 1 339.483 3.332 50 0 EGAAMO COCCn1ccnc1[C@H]1CCC[N@@H+](C/C=C/c2ccccc2)C1 ZINC000091965341 218095702 /nfs/dbraw/zinc/09/57/02/218095702.db2.gz CGVLYDTVEDGRMT-SQUITACLSA-N 1 1 325.456 3.422 50 0 EGAAMO COC1(c2ccccc2)CCN(C(=O)CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000095361227 218294635 /nfs/dbraw/zinc/29/46/35/218294635.db2.gz XQZGQBFBHSOODS-IBGZPJMESA-N 1 1 344.499 3.415 50 0 EGAAMO Cc1nc(C)c(C(=O)N2C[C@H]3CC[C@@H]2C[N@@H+](Cc2ccccc2)C3)o1 ZINC000095377917 218310456 /nfs/dbraw/zinc/31/04/56/218310456.db2.gz SFEPKMIDEQONJU-ZWKOTPCHSA-N 1 1 339.439 3.028 50 0 EGAAMO C[NH+](C)[C@@H](C(=O)NCCCOC1CCCCC1)c1ccc(F)cc1 ZINC000095382577 218314826 /nfs/dbraw/zinc/31/48/26/218314826.db2.gz MQXXOXBWHZTYTL-GOSISDBHSA-N 1 1 336.451 3.284 50 0 EGAAMO O=C(CC[C@@H]1CCC[N@H+]2CCCC[C@H]12)N1CCc2ncccc2C1 ZINC000095387325 218319586 /nfs/dbraw/zinc/31/95/86/218319586.db2.gz RDVQCOPYWQTYDL-QFBILLFUSA-N 1 1 327.472 3.011 50 0 EGAAMO COc1ccc([C@@H]2C[N@@H+](CCCSC)[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000095388160 218320636 /nfs/dbraw/zinc/32/06/36/218320636.db2.gz LDUJRYSHADFUQA-XUVXKRRUSA-N 1 1 346.540 3.310 50 0 EGAAMO Cc1nc(CCNC(=O)CC[C@@H]2CCCC[N@@H+]2C)sc1Cl ZINC000095388932 218320684 /nfs/dbraw/zinc/32/06/84/218320684.db2.gz ZVSBKJRNMRSNCU-LBPRGKRZSA-N 1 1 329.897 3.028 50 0 EGAAMO O[C@H]1CCC[N@H+](C2CCN(c3ccc4cccc(Cl)c4n3)CC2)C1 ZINC000095390235 218321781 /nfs/dbraw/zinc/32/17/81/218321781.db2.gz RYKMVCXNUQSOME-INIZCTEOSA-N 1 1 345.874 3.314 50 0 EGAAMO Cc1ccc(O)c(C(=O)N2C[C@H]3CC[C@H](C[N@@H+]3CC3CCC3)C2)c1 ZINC000095390825 218322998 /nfs/dbraw/zinc/32/29/98/218322998.db2.gz SITIAKPKDCBXCB-IAGOWNOFSA-N 1 1 328.456 3.037 50 0 EGAAMO CC[N@@H+](C)C1(CNC(=O)[C@H](c2ccc(F)cc2)N(C)C)CCCCC1 ZINC000095384675 218316577 /nfs/dbraw/zinc/31/65/77/218316577.db2.gz KTXFWFMNJRLBPL-SFHVURJKSA-N 1 1 349.494 3.199 50 0 EGAAMO CC[N@H+]1CC[C@H](C(=O)NCc2ccccc2OCc2ccccc2)C1 ZINC000097294599 219010157 /nfs/dbraw/zinc/01/01/57/219010157.db2.gz HDMNOOZZIOPEBT-IBGZPJMESA-N 1 1 338.451 3.224 50 0 EGAAMO O=C(c1cccc(-c2ccc(O)cc2)c1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000097546717 219034111 /nfs/dbraw/zinc/03/41/11/219034111.db2.gz AAEYHGBDUJCTMF-IBGZPJMESA-N 1 1 336.435 3.370 50 0 EGAAMO O=C(c1cccc(-c2ccc(O)cc2)c1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000097546717 219034113 /nfs/dbraw/zinc/03/41/13/219034113.db2.gz AAEYHGBDUJCTMF-IBGZPJMESA-N 1 1 336.435 3.370 50 0 EGAAMO CSCC(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+]1CCCCC1 ZINC000299770548 258083770 /nfs/dbraw/zinc/08/37/70/258083770.db2.gz TUUBDPRYNYBRMS-HNNXBMFYSA-N 1 1 326.893 3.346 50 0 EGAAMO CN(C[C@@H]1CC[N@@H+](C)C1(C)C)C(=O)Cc1ccc(C(F)(F)F)cc1 ZINC000299781859 258090521 /nfs/dbraw/zinc/09/05/21/258090521.db2.gz IKSTYFMXVQKUNS-HNNXBMFYSA-N 1 1 342.405 3.437 50 0 EGAAMO CSCc1ccc(C(=O)N[C@@H](C)C[N@H+]2CCc3ccccc3C2)o1 ZINC000299784440 258091934 /nfs/dbraw/zinc/09/19/34/258091934.db2.gz TWHLKUYQTVUXPS-AWEZNQCLSA-N 1 1 344.480 3.319 50 0 EGAAMO O=C(NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)Nc1ccc(F)nc1 ZINC000299789448 258095410 /nfs/dbraw/zinc/09/54/10/258095410.db2.gz XLYRXVKPWMDNBN-MRXNPFEDSA-N 1 1 342.418 3.254 50 0 EGAAMO COCC[N@H+](Cc1cc(=O)c2cc(C)cc(C)c2[nH]1)C[C@H]1CCCO1 ZINC000299791975 258097552 /nfs/dbraw/zinc/09/75/52/258097552.db2.gz DIRLVIIETRAXMS-QGZVFWFLSA-N 1 1 344.455 3.185 50 0 EGAAMO Cn1ccnc1C(=O)[C@@H]1CCC[N@@H+](CCSc2ccccc2)C1 ZINC000072161188 258064488 /nfs/dbraw/zinc/06/44/88/258064488.db2.gz YUOAMIWVVCDIIB-OAHLLOKOSA-N 1 1 329.469 3.107 50 0 EGAAMO CCn1ccc2cc(C(=O)N3CC([N@H+]4CCCC[C@H]4C)C3)ccc21 ZINC000299756661 258075098 /nfs/dbraw/zinc/07/50/98/258075098.db2.gz CYBSMPWHCQJJFP-OAHLLOKOSA-N 1 1 325.456 3.360 50 0 EGAAMO CCOc1ccccc1C[NH+]1CCN(c2ccccc2OC)CC1 ZINC000055542946 132195673 /nfs/dbraw/zinc/19/56/73/132195673.db2.gz RHSPCJKQJWVGPJ-UHFFFAOYSA-N 1 1 326.440 3.416 50 0 EGAAMO COc1ccc(C[NH+]2CCN(c3cccc(Cl)c3)CC2)cc1O ZINC000055543171 132195678 /nfs/dbraw/zinc/19/56/78/132195678.db2.gz NJNCBXJNAQWSAU-UHFFFAOYSA-N 1 1 332.831 3.376 50 0 EGAAMO Cc1ccc(NC2(C(=O)NC[C@H]3CCC[N@H+](C)C3)CCCC2)cc1 ZINC000067819207 292161194 /nfs/dbraw/zinc/16/11/94/292161194.db2.gz IHEJTPCTDKJRAL-QGZVFWFLSA-N 1 1 329.488 3.178 50 0 EGAAMO C[C@H](C(=O)Nc1cccc(-n2cccn2)c1)[N@@H+]1CCc2ccccc2C1 ZINC000346545251 164393847 /nfs/dbraw/zinc/39/38/47/164393847.db2.gz NQMYFSFTQGBNBX-MRXNPFEDSA-N 1 1 346.434 3.258 50 0 EGAAMO C[C@H](C(=O)Nc1cccc(-n2cccn2)c1)[N@H+]1CCc2ccccc2C1 ZINC000346545251 164393849 /nfs/dbraw/zinc/39/38/49/164393849.db2.gz NQMYFSFTQGBNBX-MRXNPFEDSA-N 1 1 346.434 3.258 50 0 EGAAMO C[C@@H](C[N@H+]1CCc2ccccc2C1)NC(=O)Nc1cccc2c[nH]nc21 ZINC000096153859 274220456 /nfs/dbraw/zinc/22/04/56/274220456.db2.gz KFJWRJWJSMKTLV-AWEZNQCLSA-N 1 1 349.438 3.131 50 0 EGAAMO COc1cc(Cl)c(CN2CC([N@H+]3CCCC[C@@H]3C)C2)cc1OC ZINC000240163553 455263378 /nfs/dbraw/zinc/26/33/78/455263378.db2.gz JBXBQMBRPRLAEJ-ZDUSSCGKSA-N 1 1 338.879 3.416 50 0 EGAAMO C[N@H+](CCC(=O)Nc1ccc(F)c(F)c1)CC[C@@H]1CCCCO1 ZINC000240517101 455263827 /nfs/dbraw/zinc/26/38/27/455263827.db2.gz NVCCDHAHXWZPCX-AWEZNQCLSA-N 1 1 326.387 3.184 50 0 EGAAMO Cc1onc(-c2ccccc2Cl)c1C(=O)N1CCC[N@H+](C)CC1 ZINC000006698551 452969360 /nfs/dbraw/zinc/96/93/60/452969360.db2.gz LVIWRXBSXPLWPH-UHFFFAOYSA-N 1 1 333.819 3.081 50 0 EGAAMO C[NH+]1CCN(C(=O)c2ccc(OCc3ccccc3Cl)cc2)CC1 ZINC000006697148 452970182 /nfs/dbraw/zinc/97/01/82/452970182.db2.gz ZKAQIQAHNPCAGB-UHFFFAOYSA-N 1 1 344.842 3.307 50 0 EGAAMO C[NH2+]CCCNCc1ccc(OCc2ccc(F)cc2)c(OC)c1 ZINC000008377048 453199160 /nfs/dbraw/zinc/19/91/60/453199160.db2.gz BECVRFWGBFHMOB-UHFFFAOYSA-N 1 1 332.419 3.112 50 0 EGAAMO COC(=O)c1ccc2[nH]c(C)c(C[N@H+]3CCCC[C@@H]3C)c(=O)c2c1 ZINC000008714042 453224589 /nfs/dbraw/zinc/22/45/89/453224589.db2.gz GBCCLUZCDSBFPZ-LBPRGKRZSA-N 1 1 328.412 3.410 50 0 EGAAMO COC(=O)c1ccc2[nH]c(C)c(C[N@H+]3CCC[C@H](C)C3)c(=O)c2c1 ZINC000008714112 453226288 /nfs/dbraw/zinc/22/62/88/453226288.db2.gz NADCGHPAPIMHJY-LBPRGKRZSA-N 1 1 328.412 3.267 50 0 EGAAMO Cn1ccnc1C[N@@H+]1CCC[C@@H](CCC(=O)Nc2ccccc2F)C1 ZINC000011820218 453334928 /nfs/dbraw/zinc/33/49/28/453334928.db2.gz KOVGLXKODPKBKX-HNNXBMFYSA-N 1 1 344.434 3.190 50 0 EGAAMO Cn1ccnc1C[N@H+]1CCC[C@@H](CCC(=O)Nc2ccccc2F)C1 ZINC000011820218 453334940 /nfs/dbraw/zinc/33/49/40/453334940.db2.gz KOVGLXKODPKBKX-HNNXBMFYSA-N 1 1 344.434 3.190 50 0 EGAAMO O=C(N[C@H]1CCC[N@H+](C2CCCCCC2)C1)c1ncoc1C1CC1 ZINC000012592750 453378801 /nfs/dbraw/zinc/37/88/01/453378801.db2.gz FXEVQILYTJMHGN-HNNXBMFYSA-N 1 1 331.460 3.469 50 0 EGAAMO CCOC(=O)[C@]1(Cc2ccccc2)CCC[N@H+](Cc2ccon2)C1 ZINC000012745445 453396310 /nfs/dbraw/zinc/39/63/10/453396310.db2.gz GUSVEXOQPCQBSP-IBGZPJMESA-N 1 1 328.412 3.063 50 0 EGAAMO CCOC(=O)[C@]1(Cc2ccccc2)CCC[N@@H+](Cc2ccon2)C1 ZINC000012745445 453396321 /nfs/dbraw/zinc/39/63/21/453396321.db2.gz GUSVEXOQPCQBSP-IBGZPJMESA-N 1 1 328.412 3.063 50 0 EGAAMO Cc1ccc(OCC(=O)N2CC[NH+](Cc3ccccc3)CC2)c(C)c1 ZINC000014831554 453545111 /nfs/dbraw/zinc/54/51/11/453545111.db2.gz XSXHJHVQXNVVKF-UHFFFAOYSA-N 1 1 338.451 3.027 50 0 EGAAMO CCOC(=O)[C@@H]1CC2(CCN(Cc3ccccc3)CC2)[N@H+]2CCC[C@@H]12 ZINC000014987438 453551139 /nfs/dbraw/zinc/55/11/39/453551139.db2.gz XQKPAWKYOKHCKG-MOPGFXCFSA-N 1 1 342.483 3.069 50 0 EGAAMO COCC[C@H]1CCCC[N@@H+]1Cc1nc(Cc2cccc(F)c2)no1 ZINC000015076935 453554708 /nfs/dbraw/zinc/55/47/08/453554708.db2.gz WVXKDDHBWSFTRO-MRXNPFEDSA-N 1 1 333.407 3.191 50 0 EGAAMO COCC[C@H]1CCCC[N@H+]1Cc1nc(Cc2cccc(F)c2)no1 ZINC000015076935 453554714 /nfs/dbraw/zinc/55/47/14/453554714.db2.gz WVXKDDHBWSFTRO-MRXNPFEDSA-N 1 1 333.407 3.191 50 0 EGAAMO c1ccc(CN2CCC([NH+]3CCN(c4ccccc4)CC3)CC2)cc1 ZINC000022588763 453694801 /nfs/dbraw/zinc/69/48/01/453694801.db2.gz AINCQLFPVPHFEL-UHFFFAOYSA-N 1 1 335.495 3.473 50 0 EGAAMO CCOc1cc(C[NH+]2CCN(c3ccccc3)CC2)ccc1OC ZINC000022586800 453695216 /nfs/dbraw/zinc/69/52/16/453695216.db2.gz YOWPLGCNUYLTRL-UHFFFAOYSA-N 1 1 326.440 3.416 50 0 EGAAMO CCC(CC)[N@H+]1CCN(Cc2ccc(OC)c(C)c2)[C@@H](CCO)C1 ZINC000023145580 453705438 /nfs/dbraw/zinc/70/54/38/453705438.db2.gz WFGJGKHMIHUCNJ-IBGZPJMESA-N 1 1 334.504 3.061 50 0 EGAAMO O[C@](CC[NH+]1CCOCC1)(Cc1ccccc1)c1ccc(Cl)cc1 ZINC000027346180 453815181 /nfs/dbraw/zinc/81/51/81/453815181.db2.gz CNZDVSVAODNGMJ-HXUWFJFHSA-N 1 1 345.870 3.493 50 0 EGAAMO CCOC(C[NH+](Cc1ccccc1)CC(OCC)OCC)OCC ZINC000067736651 453961256 /nfs/dbraw/zinc/96/12/56/453961256.db2.gz SGWYKWYEYCSALV-UHFFFAOYSA-N 1 1 339.476 3.287 50 0 EGAAMO C[N@H+]1CCCC[C@H]1CCn1cnc2c(cccc2C(F)(F)F)c1=O ZINC000043135993 454043031 /nfs/dbraw/zinc/04/30/31/454043031.db2.gz MGNOFUIBXBONHZ-LBPRGKRZSA-N 1 1 339.361 3.290 50 0 EGAAMO CCc1nn(C)c(Cl)c1C[N@H+]1CCCC[C@H]1CCn1cccn1 ZINC000077343621 454093776 /nfs/dbraw/zinc/09/37/76/454093776.db2.gz OLAYYTROJIYVKP-AWEZNQCLSA-N 1 1 335.883 3.277 50 0 EGAAMO O=C(CCC(=O)N1CCC[N@H+](C2CCCC2)CC1)c1ccc(F)cc1 ZINC000077440247 454106067 /nfs/dbraw/zinc/10/60/67/454106067.db2.gz VQDKAWJCQMCDBQ-UHFFFAOYSA-N 1 1 346.446 3.266 50 0 EGAAMO CCC(CC)[N@H+]1CCC[C@]2(CCC(=O)N(Cc3cnc(C)cn3)C2)C1 ZINC000077505986 454115467 /nfs/dbraw/zinc/11/54/67/454115467.db2.gz DYRVNHJMCXSKNC-FQEVSTJZSA-N 1 1 344.503 3.178 50 0 EGAAMO CC(C)[C@@H]1CN(C(=O)c2onc3ccccc32)CCC[N@H+]1CC1CC1 ZINC000071681694 454210619 /nfs/dbraw/zinc/21/06/19/454210619.db2.gz AEWGBISRRLOPBY-SFHVURJKSA-N 1 1 341.455 3.410 50 0 EGAAMO CC[C@@H]1C[N@@H+](Cc2c(C)n[nH]c2C)CCC(=O)N1Cc1ccccc1 ZINC000071708034 454210786 /nfs/dbraw/zinc/21/07/86/454210786.db2.gz BVVNLXGKFGKJIX-GOSISDBHSA-N 1 1 340.471 3.040 50 0 EGAAMO CSc1ccc(C(=O)[C@H]2CCC[N@H+](CC(=O)N(C)C(C)C)C2)cc1 ZINC000071749102 454212697 /nfs/dbraw/zinc/21/26/97/454212697.db2.gz YDKICABGOZQWCL-INIZCTEOSA-N 1 1 348.512 3.170 50 0 EGAAMO CSc1ccc(C(=O)[C@H]2CCC[N@@H+](CC(=O)N(C)C(C)C)C2)cc1 ZINC000071749102 454212699 /nfs/dbraw/zinc/21/26/99/454212699.db2.gz YDKICABGOZQWCL-INIZCTEOSA-N 1 1 348.512 3.170 50 0 EGAAMO Oc1ccc(C[N@H+]2C[C@@H](c3ccccc3)[C@@H]3[C@H]2C2CCN3CC2)cc1 ZINC000071764972 454216354 /nfs/dbraw/zinc/21/63/54/454216354.db2.gz CWUMBCLYCFCJCA-BHDDXSALSA-N 1 1 334.463 3.454 50 0 EGAAMO Cc1cnn(C2CCCC2)c1NC(=O)N1CC[C@@H]2CC[C@H](C1)[N@H+]2C ZINC000095522676 454227200 /nfs/dbraw/zinc/22/72/00/454227200.db2.gz LCNDARAIVQWBHS-GOEBONIOSA-N 1 1 331.464 3.007 50 0 EGAAMO Cc1n[nH]c(C)c1CCC(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000096180806 454298536 /nfs/dbraw/zinc/29/85/36/454298536.db2.gz MYFVXVPZFNLHAK-KRWDZBQOSA-N 1 1 348.878 3.032 50 0 EGAAMO Cc1cc(C)n(-c2cc[nH+]cc2NC(=O)c2ccc(Cl)nc2)n1 ZINC000096223270 454309551 /nfs/dbraw/zinc/30/95/51/454309551.db2.gz WLXHGCOQGYWROO-UHFFFAOYSA-N 1 1 327.775 3.185 50 0 EGAAMO Cc1[nH+]ccn1-c1ccc(NC(=O)COc2ccc(Cl)cc2)cn1 ZINC000047275781 454352149 /nfs/dbraw/zinc/35/21/49/454352149.db2.gz DVJLXZZBEQHYMP-UHFFFAOYSA-N 1 1 342.786 3.247 50 0 EGAAMO Nc1cc[nH+]c(N2CCC[C@@H](C(=O)c3cccc4ccccc43)C2)n1 ZINC000091351038 454430294 /nfs/dbraw/zinc/43/02/94/454430294.db2.gz PGNWCPASRRNSFX-OAHLLOKOSA-N 1 1 332.407 3.311 50 0 EGAAMO Cc1sc2ccccc2c1C[N@@H+]1CC[C@@H](N2CCN(C)CC2)C1 ZINC000097636533 454441640 /nfs/dbraw/zinc/44/16/40/454441640.db2.gz JGZWMTGRNTVNPN-MRXNPFEDSA-N 1 1 329.513 3.031 50 0 EGAAMO CC(=O)N(C)[C@H](C)C1=CC[N@@H+](Cc2cccc(OC(F)F)c2)CC1 ZINC000065373690 454555302 /nfs/dbraw/zinc/55/53/02/454555302.db2.gz GCEQHOHZZJIOOT-CYBMUJFWSA-N 1 1 338.398 3.287 50 0 EGAAMO C=Cc1cccc([C@H]2N[C@](CO)(c3ccccc3)[C@H]3C[N@@H+](C)C[C@H]32)c1 ZINC000065426920 454566214 /nfs/dbraw/zinc/56/62/14/454566214.db2.gz KIHLFSYUGJGAFS-CIAFKFPVSA-N 1 1 334.463 3.040 50 0 EGAAMO OCC[C@H]1CN(c2ccc3ccccc3n2)CC[N@H+]1C1CCCCC1 ZINC000106945892 454735268 /nfs/dbraw/zinc/73/52/68/454735268.db2.gz KMRIDCSLBTYIFO-IBGZPJMESA-N 1 1 339.483 3.441 50 0 EGAAMO O=C(NC[C@H]1CC[N@H+](C2CCCC2)C1)c1ccc(N2CCCC2)cc1 ZINC000220260448 456039198 /nfs/dbraw/zinc/03/91/98/456039198.db2.gz JZFZEKPHCJUDEI-QGZVFWFLSA-N 1 1 341.499 3.281 50 0 EGAAMO OCC1(C[NH+]2CCCC2)CCN(C/C=C/c2ccc(F)cc2)CC1 ZINC000220609410 456040855 /nfs/dbraw/zinc/04/08/55/456040855.db2.gz NWYFRGOOTFBASV-ONEGZZNKSA-N 1 1 332.463 3.009 50 0 EGAAMO O=C(/C=C/c1cccs1)N1CC[C@@H]([N@H+]2CCc3ccccc3C2)C1 ZINC000225684671 456102590 /nfs/dbraw/zinc/10/25/90/456102590.db2.gz AXLRTMCUHPRZHX-LKGOPFMKSA-N 1 1 338.476 3.421 50 0 EGAAMO COCC[N@H+]1CC[C@H](CNC(=O)c2cccc(-c3ccsc3)c2)C1 ZINC000299774508 456780511 /nfs/dbraw/zinc/78/05/11/456780511.db2.gz DCHVCHZBRGVLHB-OAHLLOKOSA-N 1 1 344.480 3.113 50 0 EGAAMO CCOc1cccc(-c2ccc([C@@H](O)C[NH+]3CCOCC3)cc2)c1 ZINC000426371093 457814567 /nfs/dbraw/zinc/81/45/67/457814567.db2.gz OTNCVQZICWJKAE-FQEVSTJZSA-N 1 1 327.424 3.118 50 0 EGAAMO C[C@H]1CCCC[N@H+]1CCN(C)C(=O)NCCc1c[nH]c2ccccc12 ZINC000426503152 457843516 /nfs/dbraw/zinc/84/35/16/457843516.db2.gz WXOHXYUPORHNJS-INIZCTEOSA-N 1 1 342.487 3.226 50 0 EGAAMO Cc1csc(=O)n1CC[N@H+]1C[C@@H](c2ccccc2)C2(CCC2)C1 ZINC000411986072 458032295 /nfs/dbraw/zinc/03/22/95/458032295.db2.gz ODCWKAQRPHFRFD-KRWDZBQOSA-N 1 1 328.481 3.488 50 0 EGAAMO O=C(NC[C@H](c1ccc(Cl)cc1)[NH+]1CCCC1)c1cncc(F)c1 ZINC000534665398 459344317 /nfs/dbraw/zinc/34/43/17/459344317.db2.gz UNPDWDLVPNNSCC-QGZVFWFLSA-N 1 1 347.821 3.441 50 0 EGAAMO O=C(NCCCc1ccccc1)N[C@H]1CC[N@@H+](Cc2ccsc2)C1 ZINC000585150081 459831406 /nfs/dbraw/zinc/83/14/06/459831406.db2.gz YZXREHPTPYSABD-SFHVURJKSA-N 1 1 343.496 3.254 50 0 EGAAMO CC[C@H](O)c1cc2n(n1)CCC[N@H+](C1CCc3ccccc3CC1)C2 ZINC000219615470 547242021 /nfs/dbraw/zinc/24/20/21/547242021.db2.gz TZADMXGDADWBEK-NRFANRHFSA-N 1 1 339.483 3.480 50 0 EGAAMO C[C@@H]1C[C@@H](NCc2ccc3c(c2)OCCO3)C[N@@H+]1Cc1ccccc1 ZINC000237485237 547257133 /nfs/dbraw/zinc/25/71/33/547257133.db2.gz MIXXOAYDBCWWDA-VQIMIIECSA-N 1 1 338.451 3.210 50 0 EGAAMO C[C@@H]1C[C@@H](NCc2ccc3c(c2)OCCO3)C[N@H+]1Cc1ccccc1 ZINC000237485237 547257134 /nfs/dbraw/zinc/25/71/34/547257134.db2.gz MIXXOAYDBCWWDA-VQIMIIECSA-N 1 1 338.451 3.210 50 0 EGAAMO C[N@H+]1CCC[C@H](CCNC(=O)Cc2ccccc2C(F)(F)F)C1 ZINC000230565518 564051174 /nfs/dbraw/zinc/05/11/74/564051174.db2.gz JWEDECISHYVQDY-CYBMUJFWSA-N 1 1 328.378 3.096 50 0 EGAAMO O=C(Cc1cccs1)N[C@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000012590132 1291133254 /nfs/dbraw/zinc/13/32/54/1291133254.db2.gz RWHJWDLOVUARPB-KRWDZBQOSA-N 1 1 328.481 3.114 50 0 EGAAMO CCn1cc(CN2CC[C@]3(C2)CCC[N@@H+](CC2CCC2)C3)c(C)n1 ZINC000015071648 1291145214 /nfs/dbraw/zinc/14/52/14/1291145214.db2.gz XALWULRUQJADAB-HXUWFJFHSA-N 1 1 330.520 3.299 50 0 EGAAMO CCn1cc(CN2CC[C@@]3(C2)CCC[N@@H+](CC2CCC2)C3)c(C)n1 ZINC000015071650 1291145672 /nfs/dbraw/zinc/14/56/72/1291145672.db2.gz XALWULRUQJADAB-FQEVSTJZSA-N 1 1 330.520 3.299 50 0 EGAAMO COc1cc(C[C@@H](C)[NH+]2CCN(Cc3ccccc3)CC2)ccc1O ZINC000023280868 1291233835 /nfs/dbraw/zinc/23/38/35/1291233835.db2.gz MEWUQXKKBAKRTP-QGZVFWFLSA-N 1 1 340.467 3.150 50 0 EGAAMO CC(C)N1CCC[C@@]2(CC[N@@H+](Cc3cncn3C3CCCC3)C2)C1=O ZINC000091931970 1292850861 /nfs/dbraw/zinc/85/08/61/1292850861.db2.gz DEMYSVKFALCGQF-FQEVSTJZSA-N 1 1 344.503 3.221 50 0 EGAAMO Cc1cnc(NC(=O)CSC[C@@H]2CCC[N@H+]3CCCC[C@H]23)s1 ZINC000888088269 1304030844 /nfs/dbraw/zinc/03/08/44/1304030844.db2.gz CQXABROASRITBK-UONOGXRCSA-N 1 1 339.530 3.388 50 0 EGAAMO CC[C@H](C(=O)N(Cc1ccc(O)cc1)Cc1cccnc1)[N@@H+](C)CC ZINC000952871923 1334583968 /nfs/dbraw/zinc/58/39/68/1334583968.db2.gz GYRRIVXEQQFCFO-LJQANCHMSA-N 1 1 341.455 3.046 50 0 EGAAMO Cn1ccc2c1cccc2C[N@H+]1CCCN(C(=O)C2CCC2)CC1 ZINC001139159750 1377841855 /nfs/dbraw/zinc/84/18/55/1377841855.db2.gz QJOWUJUEYUBCRO-UHFFFAOYSA-N 1 1 325.456 3.013 50 0 EGAAMO COc1ccc(C[N@@H+]2CCC[C@@]3(CCC[C@H]3OC)C2)c(OC)c1OC ZINC001704306936 1416436165 /nfs/dbraw/zinc/43/61/65/1416436165.db2.gz YHCWEENOXDDJLH-XLIONFOSSA-N 1 1 349.471 3.494 50 0 EGAAMO Clc1ccc(CN2C[C@@H]3[C@H](C[NH+]4CCCC4)[C@H]4CC[C@]3(C2)O4)cc1 ZINC001704314638 1416440258 /nfs/dbraw/zinc/44/02/58/1416440258.db2.gz VDUSGZFHSUOWGS-MTQWCTHYSA-N 1 1 346.902 3.415 50 0 EGAAMO C[N@H+]1CCOC2(CCN(c3nc4ccc(Cl)cc4s3)CC2)C1 ZINC001772817167 1441417640 /nfs/dbraw/zinc/41/76/40/1441417640.db2.gz KREAKYGDOLABDZ-UHFFFAOYSA-N 1 1 337.876 3.251 50 0 EGAAMO C[C@H]1CCC[N@@H+](CCOc2ccccc2C(=O)C2CCOCC2)C1 ZINC001772814522 1441417770 /nfs/dbraw/zinc/41/77/70/1441417770.db2.gz DLFPFEHQPRGXAE-INIZCTEOSA-N 1 1 331.456 3.407 50 0 EGAAMO CC[C@@H](CO)[N@@H+](Cc1ccc(-c2cc[nH]n2)s1)Cc1cccnc1 ZINC000055369173 214313048 /nfs/dbraw/zinc/31/30/48/214313048.db2.gz POSHBYJHIAQKNX-HNNXBMFYSA-N 1 1 342.468 3.306 50 0 EGAAMO Cc1cc(C)c(C[N@H+](Cc2cnn(C)c2)CC(C)C)c(C)c1CO ZINC000055340987 214309253 /nfs/dbraw/zinc/30/92/53/214309253.db2.gz QGDTVEVDGFUKAP-UHFFFAOYSA-N 1 1 329.488 3.496 50 0 EGAAMO CC(C)c1ccc(OC[C@@H](O)CNC2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000003683840 210073277 /nfs/dbraw/zinc/07/32/77/210073277.db2.gz MLTXBLOLEYNQRX-SFHVURJKSA-N 1 1 348.531 3.449 50 0 EGAAMO Clc1ccc([C@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2OC3)cc1 ZINC000001250001 282512644 /nfs/dbraw/zinc/51/26/44/282512644.db2.gz SSTZHRGLRAWBCK-KRWDZBQOSA-N 1 1 336.782 3.403 50 0 EGAAMO CC(C)C[N@@H+](C)C[C@]1(O)CCCN(Cc2ccc(C(C)C)cc2)C1=O ZINC000067560112 215162069 /nfs/dbraw/zinc/16/20/69/215162069.db2.gz WBROKSLWSOQEBF-OAQYLSRUSA-N 1 1 346.515 3.251 50 0 EGAAMO CC(C)C[N@H+]1CCC[C@H](CNC(=O)Cc2ccc(O)c(Cl)c2)C1 ZINC000067642305 215171848 /nfs/dbraw/zinc/17/18/48/215171848.db2.gz SYZBZWJMCBFEHG-OAHLLOKOSA-N 1 1 338.879 3.072 50 0 EGAAMO Cc1nc[nH]c1C[N@H+]1CCCN(c2nc3ccccc3s2)CC1 ZINC000067673080 215176553 /nfs/dbraw/zinc/17/65/53/215176553.db2.gz NMJXBRUWXPKDOK-UHFFFAOYSA-N 1 1 327.457 3.040 50 0 EGAAMO Clc1nc2sccn2c1CN1CCCC2(CC[NH2+]CC2)CC1 ZINC000067714735 215192369 /nfs/dbraw/zinc/19/23/69/215192369.db2.gz ISRBKDRJUUXHIR-UHFFFAOYSA-N 1 1 338.908 3.405 50 0 EGAAMO C[C@H](CCO)[NH2+]Cc1nc(-c2cccc(F)c2)c(-c2ccccn2)[nH]1 ZINC000067757902 215206821 /nfs/dbraw/zinc/20/68/21/215206821.db2.gz VEVMTTBFDUDJBV-CYBMUJFWSA-N 1 1 340.402 3.138 50 0 EGAAMO CC(C)=CC(=O)NCC1CC[NH+](Cc2cc(C(C)(C)C)n[nH]2)CC1 ZINC000067773953 215209789 /nfs/dbraw/zinc/20/97/89/215209789.db2.gz DWFJOEZSTYMHKL-UHFFFAOYSA-N 1 1 332.492 3.002 50 0 EGAAMO CC[C@@H]1CN(C(=O)c2ccc(-c3ccncc3)nc2)CC[N@H+]1C(C)C ZINC000067804606 215217094 /nfs/dbraw/zinc/21/70/94/215217094.db2.gz YUYLJQIWRKRZPU-GOSISDBHSA-N 1 1 338.455 3.088 50 0 EGAAMO CC(C)CC[C@@H](C)NC(=O)c1cc(Cn2cc[nH+]c2C(C)C)n[nH]1 ZINC000067847215 215228537 /nfs/dbraw/zinc/22/85/37/215228537.db2.gz FJURSPQNDRGLDX-CQSZACIVSA-N 1 1 331.464 3.332 50 0 EGAAMO Cc1ccccc1-c1ccccc1C(=O)NCC[C@H]1C[N@H+](C)CCO1 ZINC000067850680 215229909 /nfs/dbraw/zinc/22/99/09/215229909.db2.gz RSJDDPKBOZHQDS-KRWDZBQOSA-N 1 1 338.451 3.113 50 0 EGAAMO Cc1ccccc1-c1ccccc1C(=O)NCC[C@H]1C[N@@H+](C)CCO1 ZINC000067850680 215229912 /nfs/dbraw/zinc/22/99/12/215229912.db2.gz RSJDDPKBOZHQDS-KRWDZBQOSA-N 1 1 338.451 3.113 50 0 EGAAMO Cc1ccccc1C[N@H+]1CC[C@@H](CNC(=O)c2cccc(O)c2C)C1 ZINC000067872757 215238105 /nfs/dbraw/zinc/23/81/05/215238105.db2.gz GWKSLVXAKNQQIX-KRWDZBQOSA-N 1 1 338.451 3.261 50 0 EGAAMO COc1cccc([C@H]2CCCN2C(=O)CCCn2cc[nH+]c2C)c1 ZINC000068575072 215319871 /nfs/dbraw/zinc/31/98/71/215319871.db2.gz XBUIQXZLNFTSOH-GOSISDBHSA-N 1 1 327.428 3.344 50 0 EGAAMO Cn1ccc2cc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)ccc21 ZINC000040283624 213287673 /nfs/dbraw/zinc/28/76/73/213287673.db2.gz GDUIYMBLZSCITK-UHFFFAOYSA-N 1 1 333.435 3.136 50 0 EGAAMO Clc1cccc(CN2CC[NH+](Cc3ccc4nonc4c3)CC2)c1 ZINC000072140357 216026186 /nfs/dbraw/zinc/02/61/86/216026186.db2.gz UETGJWGFXLFSMI-UHFFFAOYSA-N 1 1 342.830 3.194 50 0 EGAAMO c1cncc(CO[C@@H]2CCC[N@@H+](Cc3ccc4nsnc4c3)C2)c1 ZINC000072143948 216028489 /nfs/dbraw/zinc/02/84/89/216028489.db2.gz YFBLTJVZELUQTE-MRXNPFEDSA-N 1 1 340.452 3.268 50 0 EGAAMO COc1ccc2n[nH]c(C[N@@H+](C)Cc3ccc(-n4cccn4)cc3)c2c1 ZINC000072143638 216029324 /nfs/dbraw/zinc/02/93/24/216029324.db2.gz UTCUEOXDRZSJJI-UHFFFAOYSA-N 1 1 347.422 3.389 50 0 EGAAMO Cc1nccn1C[C@H]1CCC[N@@H+](Cc2ccc(Cn3cccn3)cc2)C1 ZINC000072150046 216037956 /nfs/dbraw/zinc/03/79/56/216037956.db2.gz QDUNHZDMQGAKKM-NRFANRHFSA-N 1 1 349.482 3.349 50 0 EGAAMO COc1ccc(-c2n[nH]cc2CN2CC([N@H+]3CCCC[C@@H]3C)C2)cc1 ZINC000072164111 216052864 /nfs/dbraw/zinc/05/28/64/216052864.db2.gz FKQVMLCDCCWCJZ-HNNXBMFYSA-N 1 1 340.471 3.144 50 0 EGAAMO COC(=O)c1ccc(C[N@H+](C)Cc2cc(-c3ccncc3)no2)cc1 ZINC000072170089 216062097 /nfs/dbraw/zinc/06/20/97/216062097.db2.gz YURPRBYNYPZSDC-UHFFFAOYSA-N 1 1 337.379 3.155 50 0 EGAAMO COC(=O)c1ccc(C[N@@H+](C)Cc2cc(-c3ccncc3)no2)cc1 ZINC000072170089 216062100 /nfs/dbraw/zinc/06/21/00/216062100.db2.gz YURPRBYNYPZSDC-UHFFFAOYSA-N 1 1 337.379 3.155 50 0 EGAAMO COc1ccccc1N1CC[N@H+](Cc2cnn(C)c2C2CC2)[C@@H](C)C1 ZINC000072167944 216058724 /nfs/dbraw/zinc/05/87/24/216058724.db2.gz MMHTZXMJJWTLKB-HNNXBMFYSA-N 1 1 340.471 3.017 50 0 EGAAMO COc1ccccc1N1CC[N@@H+](Cc2cnn(C)c2C2CC2)[C@@H](C)C1 ZINC000072167944 216058727 /nfs/dbraw/zinc/05/87/27/216058727.db2.gz MMHTZXMJJWTLKB-HNNXBMFYSA-N 1 1 340.471 3.017 50 0 EGAAMO Cn1ncc(C[N@H+]2CCC[C@H](C(=O)Cc3ccccc3)C2)c1C1CC1 ZINC000072425941 216216273 /nfs/dbraw/zinc/21/62/73/216216273.db2.gz CEUFHYAYZSQEFS-SFHVURJKSA-N 1 1 337.467 3.321 50 0 EGAAMO Cc1nn(C)cc1C[N@H+]1CCCC12CCN(c1cccc(C)n1)CC2 ZINC000072433743 216227750 /nfs/dbraw/zinc/22/77/50/216227750.db2.gz NKALJFDSRLJBIW-UHFFFAOYSA-N 1 1 339.487 3.067 50 0 EGAAMO CCCc1oncc1C(=O)N[C@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000072430598 216223956 /nfs/dbraw/zinc/22/39/56/216223956.db2.gz IXEHEDUVKSNVAV-KRWDZBQOSA-N 1 1 341.455 3.064 50 0 EGAAMO CCOC(=O)N1CCC([N@H+]2CCO[C@H](CC3CCCCC3)C2)CC1 ZINC000023337664 212369584 /nfs/dbraw/zinc/36/95/84/212369584.db2.gz JDAWRWNCKORMIN-GOSISDBHSA-N 1 1 338.492 3.279 50 0 EGAAMO c1cnn(CCC[N@H+]2CCO[C@H](Cc3cccc4ccccc43)C2)c1 ZINC000023129264 212352785 /nfs/dbraw/zinc/35/27/85/212352785.db2.gz QGFXPEDMDNVCIB-HXUWFJFHSA-N 1 1 335.451 3.370 50 0 EGAAMO COc1ccc(C[N@H+]2CC[C@@H]2c2ccccc2)cc1Cn1cncn1 ZINC000216282254 241180486 /nfs/dbraw/zinc/18/04/86/241180486.db2.gz POFVNCHYWKRDJU-LJQANCHMSA-N 1 1 334.423 3.282 50 0 EGAAMO Cn1c2ccccc2cc(C[N@@H+](C)CC[C@H](O)c2ccccc2)c1=O ZINC000215529524 241131060 /nfs/dbraw/zinc/13/10/60/241131060.db2.gz DSNPIGRMAIGUIN-FQEVSTJZSA-N 1 1 336.435 3.094 50 0 EGAAMO Cc1ccc2n[nH]c(CNc3cc([C@H]4C[C@H]([NH3+])C4)nc(C4CC4)n3)c2c1 ZINC000244626509 243045401 /nfs/dbraw/zinc/04/54/01/243045401.db2.gz FNBTWKXBSKNGFN-HDJSIYSDSA-N 1 1 348.454 3.356 50 0 EGAAMO Cc1nccc(C2CC[NH+]([C@H](C)C(=O)Nc3ccc(F)cc3)CC2)n1 ZINC000244874556 243094522 /nfs/dbraw/zinc/09/45/22/243094522.db2.gz XDDLSLOTJPUNLH-CYBMUJFWSA-N 1 1 342.418 3.131 50 0 EGAAMO C[C@@H]1C[NH+](CCOCCOc2ccc(Cl)c(Cl)c2)C[C@@H](C)O1 ZINC000020167064 212108243 /nfs/dbraw/zinc/10/82/43/212108243.db2.gz MJSCPZDUVFNVSC-CHWSQXEVSA-N 1 1 348.270 3.498 50 0 EGAAMO O=C(Cc1ccccc1)N1CC[NH+](Cc2c[nH]c3ccccc23)CC1 ZINC000020130630 212104668 /nfs/dbraw/zinc/10/46/68/212104668.db2.gz KBILALRXGGVNQR-UHFFFAOYSA-N 1 1 333.435 3.055 50 0 EGAAMO O=C(NCCC[NH+]1CCOCC1)c1ccc(-c2ccc(Cl)cc2)o1 ZINC000019842851 212075193 /nfs/dbraw/zinc/07/51/93/212075193.db2.gz MGOHEEAOGSNMQR-UHFFFAOYSA-N 1 1 348.830 3.052 50 0 EGAAMO CCn1ccnc1CN1CCC[C@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000019744525 212060592 /nfs/dbraw/zinc/06/05/92/212060592.db2.gz FNFQBUXEHLVNFD-IBGZPJMESA-N 1 1 326.488 3.042 50 0 EGAAMO Cc1c([C@H](C)NC2CC[NH+](C)CC2)cnn1-c1ccc(F)cc1F ZINC000019229558 212006530 /nfs/dbraw/zinc/00/65/30/212006530.db2.gz FTBMIXYVIMQZLQ-LBPRGKRZSA-N 1 1 334.414 3.204 50 0 EGAAMO CSCCC[N@H+]1CCOc2c(O)cc(-c3cccnc3)cc2C1 ZINC000012455648 211385829 /nfs/dbraw/zinc/38/58/29/211385829.db2.gz KPAHXWSZHLYBFU-UHFFFAOYSA-N 1 1 330.453 3.402 50 0 EGAAMO C[N@@H+](C[C@@H]1CCCN(CCc2ccccc2F)C1)CC(C)(C)CO ZINC000012443848 211384512 /nfs/dbraw/zinc/38/45/12/211384512.db2.gz XQMQHTCWFFLZNV-KRWDZBQOSA-N 1 1 336.495 3.031 50 0 EGAAMO CCN(Cc1cc[nH]n1)C[C@H]1CCC[N@@H+](CCc2cccc(F)c2)C1 ZINC000012305982 211340375 /nfs/dbraw/zinc/34/03/75/211340375.db2.gz IHGAUWAHILOEJZ-GOSISDBHSA-N 1 1 344.478 3.325 50 0 EGAAMO CC(C)Cc1ccc(C[N@H+]2CCC[C@H](NC(=O)c3cnc[nH]3)C2)cc1 ZINC000012302910 211338960 /nfs/dbraw/zinc/33/89/60/211338960.db2.gz NRIJMCKHSDBMHD-SFHVURJKSA-N 1 1 340.471 3.003 50 0 EGAAMO COc1ccc(C[N@H+]2CC[C@H](Cc3ccc(CO)cc3)C2)c(F)c1 ZINC000091410354 218000945 /nfs/dbraw/zinc/00/09/45/218000945.db2.gz HYECNYGLRQMADE-QGZVFWFLSA-N 1 1 329.415 3.391 50 0 EGAAMO Cc1cc(Cl)ccc1C(=O)[C@H]1CCC[N@@H+](Cc2cnn(C)c2)C1 ZINC000011841372 211254624 /nfs/dbraw/zinc/25/46/24/211254624.db2.gz RPGRVNMOFONXLP-HNNXBMFYSA-N 1 1 331.847 3.477 50 0 EGAAMO Cc1cc(Cl)ccc1C(=O)[C@H]1CCC[N@H+](Cc2cnn(C)c2)C1 ZINC000011841372 211254628 /nfs/dbraw/zinc/25/46/28/211254628.db2.gz RPGRVNMOFONXLP-HNNXBMFYSA-N 1 1 331.847 3.477 50 0 EGAAMO O=C(CCc1ccncc1)N[C@H]1CCC[N@H+](C2CCCCCC2)C1 ZINC000011821315 211252955 /nfs/dbraw/zinc/25/29/55/211252955.db2.gz VWXXBFBFIMQVFS-SFHVURJKSA-N 1 1 329.488 3.318 50 0 EGAAMO CC[C@@]1(CO)CCC[N@H+](C2CCN(c3cccc(OC)c3)CC2)C1 ZINC000091779854 218064986 /nfs/dbraw/zinc/06/49/86/218064986.db2.gz GGWHNFAADMRYPR-HXUWFJFHSA-N 1 1 332.488 3.149 50 0 EGAAMO COCC[C@]1(CO)CCC[N@@H+](Cc2ccccc2C(F)(F)F)C1 ZINC000091847869 218075828 /nfs/dbraw/zinc/07/58/28/218075828.db2.gz REBGYUUEXRSRLY-MRXNPFEDSA-N 1 1 331.378 3.316 50 0 EGAAMO Cc1nc[nH]c1C[N@H+]1CCC[C@](C)(Cc2ccc3c(c2)OCO3)C1 ZINC000091985599 218097619 /nfs/dbraw/zinc/09/76/19/218097619.db2.gz BMWQSDYCCBCQLH-LJQANCHMSA-N 1 1 327.428 3.292 50 0 EGAAMO CC(C)[C@@H]1C[N@H+](Cc2cc(Cl)ccc2F)C[C@H]1NC(=O)N(C)C ZINC000095353555 218287099 /nfs/dbraw/zinc/28/70/99/218287099.db2.gz XOLDDDLRFZDPTD-GOEBONIOSA-N 1 1 341.858 3.207 50 0 EGAAMO CC(C)[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2F)C[C@H]1NC(=O)N(C)C ZINC000095353555 218287102 /nfs/dbraw/zinc/28/71/02/218287102.db2.gz XOLDDDLRFZDPTD-GOEBONIOSA-N 1 1 341.858 3.207 50 0 EGAAMO CCc1ccc(CN(C)C(=O)[C@H](c2ccc(F)cc2)[NH+](C)C)nc1 ZINC000095360279 218293111 /nfs/dbraw/zinc/29/31/11/218293111.db2.gz LNMKPPXKYSIDCL-SFHVURJKSA-N 1 1 329.419 3.044 50 0 EGAAMO CC(C)c1cc(CN(C)C(=O)[C@H](C)[N@@H+]2CCc3ccccc3C2)no1 ZINC000095366759 218299576 /nfs/dbraw/zinc/29/95/76/218299576.db2.gz XPGBUTZFCROOLZ-HNNXBMFYSA-N 1 1 341.455 3.203 50 0 EGAAMO CC(C)c1cc(CN(C)C(=O)[C@H](C)[N@H+]2CCc3ccccc3C2)no1 ZINC000095366759 218299578 /nfs/dbraw/zinc/29/95/78/218299578.db2.gz XPGBUTZFCROOLZ-HNNXBMFYSA-N 1 1 341.455 3.203 50 0 EGAAMO CN(C/C=C/c1ccccc1)C(=O)[C@H]1CCC[N@H+](C2CCOCC2)C1 ZINC000095368901 218301261 /nfs/dbraw/zinc/30/12/61/218301261.db2.gz JUFUTUAZZPVMRO-SQUITACLSA-N 1 1 342.483 3.049 50 0 EGAAMO O=C(C1CCC1)N1C[C@H]2CC[C@H](C[N@H+]2Cc2ccc(F)cc2F)C1 ZINC000095388985 218320796 /nfs/dbraw/zinc/32/07/96/218320796.db2.gz NCEJULNUEDTNLF-CXAGYDPISA-N 1 1 334.410 3.188 50 0 EGAAMO O=C(C1CCC1)N1C[C@H]2CC[C@H](C[N@@H+]2Cc2ccc(F)cc2F)C1 ZINC000095388985 218320799 /nfs/dbraw/zinc/32/07/99/218320799.db2.gz NCEJULNUEDTNLF-CXAGYDPISA-N 1 1 334.410 3.188 50 0 EGAAMO Cc1ccc([C@H](C(=O)NCc2ccnc3ccccc23)[NH+](C)C)cc1 ZINC000095384024 218315310 /nfs/dbraw/zinc/31/53/10/218315310.db2.gz NZCBYBBVDGSVKX-HXUWFJFHSA-N 1 1 333.435 3.462 50 0 EGAAMO Cc1cc(C)c2c(ncnc2N(C)C[C@@H]2CC[N@H+](CC(C)C)C2)n1 ZINC000095385118 218317427 /nfs/dbraw/zinc/31/74/27/218317427.db2.gz VSYXQAFOBBINCI-INIZCTEOSA-N 1 1 327.476 3.056 50 0 EGAAMO Cc1ccc(NC(=O)CSc2nnc([C@@H]([NH3+])C(C)C)o2)c(C)c1 ZINC000005085385 210386636 /nfs/dbraw/zinc/38/66/36/210386636.db2.gz QPIAOSSRDBHKNB-AWEZNQCLSA-N 1 1 334.445 3.073 50 0 EGAAMO S=C(Nc1ccccc1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000004750382 210270406 /nfs/dbraw/zinc/27/04/06/210270406.db2.gz DAEADJGJQAVZAT-UHFFFAOYSA-N 1 1 325.481 3.244 50 0 EGAAMO CSCC(=O)NC[C@H](c1ccc(Cl)cc1)[NH+]1CCCCC1 ZINC000299770552 258083590 /nfs/dbraw/zinc/08/35/90/258083590.db2.gz TUUBDPRYNYBRMS-OAHLLOKOSA-N 1 1 326.893 3.346 50 0 EGAAMO CN(C[C@H]1CC[N@@H+](C)C1(C)C)C(=O)Cc1ccc(F)cc1Cl ZINC000299787400 258094202 /nfs/dbraw/zinc/09/42/02/258094202.db2.gz WQOQBTDSYPLMFY-CYBMUJFWSA-N 1 1 326.843 3.210 50 0 EGAAMO O=C(NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)Nc1ccc(F)nc1 ZINC000299789447 258095641 /nfs/dbraw/zinc/09/56/41/258095641.db2.gz XLYRXVKPWMDNBN-INIZCTEOSA-N 1 1 342.418 3.254 50 0 EGAAMO COCc1ccc(C(=O)N2CCC[C@@H]3C[N@@H+](CC(C)C)CC[C@@H]32)o1 ZINC000299792602 258097995 /nfs/dbraw/zinc/09/79/95/258097995.db2.gz FYGBHSWBXBOWCJ-WBVHZDCISA-N 1 1 334.460 3.009 50 0 EGAAMO Cc1cccc2[nH]c(CCNC(=O)[C@H](C)n3cc[nH+]c3C(C)C)nc21 ZINC000299803115 258105887 /nfs/dbraw/zinc/10/58/87/258105887.db2.gz XDTTUXSSPZPGDS-AWEZNQCLSA-N 1 1 339.443 3.111 50 0 EGAAMO CO[C@]12CC[N@@H+](Cc3[nH]c4ccc(C)cc4c3C)[C@H]1C[C@H](O)CC2 ZINC000299760326 258077309 /nfs/dbraw/zinc/07/73/09/258077309.db2.gz QENJQZZSKNORIJ-UIAACRFSSA-N 1 1 328.456 3.289 50 0 EGAAMO Cc1ccc2nc(N3CCC([N@H+]4CCC[C@@H](O)C4)CC3)cc(C)c2c1 ZINC000055360338 132194936 /nfs/dbraw/zinc/19/49/36/132194936.db2.gz BHBQTGBVARXOGO-GOSISDBHSA-N 1 1 339.483 3.277 50 0 EGAAMO CC[C@@H]1C[N@H+]2CC[C@@H]1C[C@@H]2[C@@H](O)c1ccnc2ccc(OC)cc21 ZINC000004521567 287232153 /nfs/dbraw/zinc/23/21/53/287232153.db2.gz LJOQGZACKSYWCH-FQZPYLGXSA-N 1 1 326.440 3.397 50 0 EGAAMO COc1cc(C[N@H+]2CCC[C@@H](O)C2)ccc1OCc1ccccc1 ZINC000004988591 275116910 /nfs/dbraw/zinc/11/69/10/275116910.db2.gz XJGQGPCPQKCNON-GOSISDBHSA-N 1 1 327.424 3.231 50 0 EGAAMO CC1(C)OC(=O)C([C@@H]2[NH2+]CCc3c4cc(Cl)ccc4[nH]c32)C(=O)O1 ZINC000013626574 275879715 /nfs/dbraw/zinc/87/97/15/275879715.db2.gz YCURTRQAAQWCBK-AWEZNQCLSA-N 1 1 348.786 3.087 50 0 biogenic EGAAMO CCC[N@H+](Cc1cc(OC)ccc1-n1cccn1)C[C@@H]1CCCO1 ZINC000215087413 276001335 /nfs/dbraw/zinc/00/13/35/276001335.db2.gz UNCJVSLUTVSCIT-SFHVURJKSA-N 1 1 329.444 3.272 50 0 EGAAMO CN1CCC[C@@]2(CCN(c3cc[nH+]c4cc(Cl)ccc43)C2)C1=O ZINC000072436412 277072876 /nfs/dbraw/zinc/07/28/76/277072876.db2.gz XEVVCFQXPASPEB-SFHVURJKSA-N 1 1 329.831 3.337 50 0 EGAAMO COc1cc2c(cc1OC)C[N@H+](Cc1ccc(NC(C)=O)cc1)CC2 ZINC000000291936 452554489 /nfs/dbraw/zinc/55/44/89/452554489.db2.gz YANWRJKAHOTNNM-UHFFFAOYSA-N 1 1 340.423 3.221 50 0 EGAAMO COc1cc2c(cc1OC)C[N@@H+](Cc1ccc(NC(C)=O)cc1)CC2 ZINC000000291936 452554497 /nfs/dbraw/zinc/55/44/97/452554497.db2.gz YANWRJKAHOTNNM-UHFFFAOYSA-N 1 1 340.423 3.221 50 0 EGAAMO CCCc1ccc(OC[C@@H](O)C[N@H+]2CCc3ccccc3C2)cc1 ZINC000000472482 452602624 /nfs/dbraw/zinc/60/26/24/452602624.db2.gz AWEXCMREMRVOFW-FQEVSTJZSA-N 1 1 325.452 3.437 50 0 EGAAMO CC[N@H+]1CCC[C@@H]1Cn1cnc2c([nH]c3cccc(Cl)c32)c1=O ZINC000002395273 452696310 /nfs/dbraw/zinc/69/63/10/452696310.db2.gz HSUZCJBKRXUKKI-LLVKDONJSA-N 1 1 330.819 3.016 50 0 EGAAMO COc1cccc(NC(=O)N2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000006725731 452977219 /nfs/dbraw/zinc/97/72/19/452977219.db2.gz WDTAAKGJQQOVKL-UHFFFAOYSA-N 1 1 339.439 3.087 50 0 EGAAMO CCCNC(=O)N(C)C[C@H]1CCC[N@@H+](CCc2ccccc2OC)C1 ZINC000012585142 453377469 /nfs/dbraw/zinc/37/74/69/453377469.db2.gz OAZFRIOXNFKYTI-QGZVFWFLSA-N 1 1 347.503 3.001 50 0 EGAAMO O=C(NCCC[N@H+]1CC[C@@H](c2ccccc2)C1)NC1CCCCC1 ZINC000015108691 453557618 /nfs/dbraw/zinc/55/76/18/453557618.db2.gz BQVAIJCLLGCBBN-GOSISDBHSA-N 1 1 329.488 3.498 50 0 EGAAMO C[C@@H]1C[N@H+](CCCCOc2ccc(Cl)cc2C=O)C[C@H](C)O1 ZINC000016489368 453609445 /nfs/dbraw/zinc/60/94/45/453609445.db2.gz UMLPHBJUUQLEAF-OKILXGFUSA-N 1 1 325.836 3.421 50 0 EGAAMO C[C@H]1CCC[N@@H+](CCC(=O)N2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000019114018 453654127 /nfs/dbraw/zinc/65/41/27/453654127.db2.gz PVPURIIUNFQNNJ-INIZCTEOSA-N 1 1 349.906 3.111 50 0 EGAAMO C[C@@H]1CCC[N@@H+](CCC(=O)N2CCN(c3cccc(Cl)c3)CC2)C1 ZINC000019114015 453654320 /nfs/dbraw/zinc/65/43/20/453654320.db2.gz PVPURIIUNFQNNJ-MRXNPFEDSA-N 1 1 349.906 3.111 50 0 EGAAMO O=C(OC1CCCC1)N1CC[N@@H+](C2CC2)C[C@@H]1Cc1ccccc1 ZINC000085472697 454030965 /nfs/dbraw/zinc/03/09/65/454030965.db2.gz NDOYNSDAYKEDDU-SFHVURJKSA-N 1 1 328.456 3.457 50 0 EGAAMO O=C(OC1CCCC1)N1CC[N@H+](C2CC2)C[C@@H]1Cc1ccccc1 ZINC000085472697 454030967 /nfs/dbraw/zinc/03/09/67/454030967.db2.gz NDOYNSDAYKEDDU-SFHVURJKSA-N 1 1 328.456 3.457 50 0 EGAAMO COc1ccc(C[N@@H+]2CCCC[C@H]2CC[NH+]2CCCC2)cc1C(=O)[O-] ZINC000077301039 454087954 /nfs/dbraw/zinc/08/79/54/454087954.db2.gz AFKFSVIVWGJYCK-KRWDZBQOSA-N 1 1 346.471 3.234 50 0 EGAAMO COc1ccc(C[N@H+]2CCCC[C@H]2CC[NH+]2CCCC2)cc1C(=O)[O-] ZINC000077301039 454087955 /nfs/dbraw/zinc/08/79/55/454087955.db2.gz AFKFSVIVWGJYCK-KRWDZBQOSA-N 1 1 346.471 3.234 50 0 EGAAMO COc1ccc2c(c1)C=C(C[N@H+]1CCC[C@H](c3cc[nH]n3)C1)CO2 ZINC000077456066 454107351 /nfs/dbraw/zinc/10/73/51/454107351.db2.gz DFNZOTQVXIJDQD-HNNXBMFYSA-N 1 1 325.412 3.074 50 0 EGAAMO COc1cc(F)c(C[NH+]2CCC([C@H](O)CC(C)C)CC2)cc1OC ZINC000077458023 454108313 /nfs/dbraw/zinc/10/83/13/454108313.db2.gz IJTKRWWGCCXTBP-QGZVFWFLSA-N 1 1 339.451 3.462 50 0 EGAAMO O=C1CC[C@@]2(CCC[N@H+](CCOc3ccc(F)cc3)C2)CN1C1CC1 ZINC000077459823 454108492 /nfs/dbraw/zinc/10/84/92/454108492.db2.gz BALSVRWUAXWMRW-HXUWFJFHSA-N 1 1 346.446 3.072 50 0 EGAAMO Cn1nc(C[N@@H+]2CCC[C@@H](c3cc[nH]n3)C2)c2c1cccc2Cl ZINC000077521158 454116971 /nfs/dbraw/zinc/11/69/71/454116971.db2.gz OWAPDEFKKBPGJU-GFCCVEGCSA-N 1 1 329.835 3.329 50 0 EGAAMO Cn1nc(C[N@H+]2CCC[C@@H](c3cc[nH]n3)C2)c2c1cccc2Cl ZINC000077521158 454116977 /nfs/dbraw/zinc/11/69/77/454116977.db2.gz OWAPDEFKKBPGJU-GFCCVEGCSA-N 1 1 329.835 3.329 50 0 EGAAMO Cc1cccc([C@@H](C(=O)N(C)Cc2cc(C)cc(C)n2)[NH+](C)C)c1 ZINC000095358102 454197749 /nfs/dbraw/zinc/19/77/49/454197749.db2.gz VQPPIDIZGPBUPX-IBGZPJMESA-N 1 1 325.456 3.268 50 0 EGAAMO Cc1ccc(-c2cc(C[N@H+]3CCC[C@@H](N4CCCC4=O)C3)on2)cc1 ZINC000071714977 454212014 /nfs/dbraw/zinc/21/20/14/454212014.db2.gz SFTASEBMLWGNDR-QGZVFWFLSA-N 1 1 339.439 3.237 50 0 EGAAMO COC[C@@H]1CC[N@@H+](Cc2nc(-c3cc(OC)ccc3F)oc2C)C1 ZINC000071749860 454213378 /nfs/dbraw/zinc/21/33/78/454213378.db2.gz TWEGASCIFCVTGQ-CYBMUJFWSA-N 1 1 334.391 3.266 50 0 EGAAMO CCn1ccnc1-c1nccn1C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000071753392 454214643 /nfs/dbraw/zinc/21/46/43/454214643.db2.gz LEPMPGYMEQLJNX-SFHVURJKSA-N 1 1 335.455 3.289 50 0 EGAAMO COc1ccc(OC)c(-c2nc(C[N@H+]3CCC[C@@](C)(O)C3)c(C)o2)c1 ZINC000071759782 454215745 /nfs/dbraw/zinc/21/57/45/454215745.db2.gz AKNJYNQHUSCKIB-LJQANCHMSA-N 1 1 346.427 3.014 50 0 EGAAMO C[N@H+]1CCC[C@H]1CCNC(=O)Nc1ccccc1OC(F)(F)F ZINC000095503014 454222890 /nfs/dbraw/zinc/22/28/90/454222890.db2.gz VDULGBBNMRPHID-NSHDSACASA-N 1 1 331.338 3.191 50 0 EGAAMO CN(Cc1ccccc1)C(=O)CCC1CC[NH+](Cc2ncc[nH]2)CC1 ZINC000095509847 454225075 /nfs/dbraw/zinc/22/50/75/454225075.db2.gz HAJBHXBFDZGIOE-UHFFFAOYSA-N 1 1 340.471 3.061 50 0 EGAAMO COc1ccc2c(c1)C=C(C[N@H+](C)Cc1cnc3ccccn13)CO2 ZINC000097480288 454437942 /nfs/dbraw/zinc/43/79/42/454437942.db2.gz FOGVYRLVCMIYLQ-UHFFFAOYSA-N 1 1 335.407 3.251 50 0 EGAAMO COc1ccc2c(c1)C=C(C[N@@H+](C)Cc1cnc3ccccn13)CO2 ZINC000097480288 454437947 /nfs/dbraw/zinc/43/79/47/454437947.db2.gz FOGVYRLVCMIYLQ-UHFFFAOYSA-N 1 1 335.407 3.251 50 0 EGAAMO CCc1ccccc1C[N@H+]1C[C@H]2CC[C@@H]1CN(C(=O)C1CCC1)C2 ZINC000091907352 454488391 /nfs/dbraw/zinc/48/83/91/454488391.db2.gz USQYTWPBUUYLDX-OXQOHEQNSA-N 1 1 326.484 3.472 50 0 EGAAMO CCc1ccccc1NC(=O)CC[N@H+]1CCC[C@@H](Cn2ccnc2)C1 ZINC000065407898 454562026 /nfs/dbraw/zinc/56/20/26/454562026.db2.gz GTDJYCBIRBSFMA-QGZVFWFLSA-N 1 1 340.471 3.186 50 0 EGAAMO COc1ccc([C@@H](Nc2nc(N(C)C)c(C)c[nH+]2)c2ccncc2)cc1 ZINC000065455637 454570793 /nfs/dbraw/zinc/57/07/93/454570793.db2.gz CBEHYOKELWHYED-GOSISDBHSA-N 1 1 349.438 3.456 50 0 EGAAMO c1cc(-c2noc(C[N@H+]3CC[C@@H](CNc4ccccn4)C3)n2)cs1 ZINC000065462957 454572046 /nfs/dbraw/zinc/57/20/46/454572046.db2.gz UCRLQAPERHBFCX-ZDUSSCGKSA-N 1 1 341.440 3.127 50 0 EGAAMO c1cc(-c2noc(C[N@@H+]3CC[C@@H](CNc4ccccn4)C3)n2)cs1 ZINC000065462957 454572050 /nfs/dbraw/zinc/57/20/50/454572050.db2.gz UCRLQAPERHBFCX-ZDUSSCGKSA-N 1 1 341.440 3.127 50 0 EGAAMO COc1ccc(C[NH2+]CC(=O)Nc2cccc(C)c2C)c(OC)c1 ZINC000065469976 454573166 /nfs/dbraw/zinc/57/31/66/454573166.db2.gz ALKUOJRRTLSNPX-UHFFFAOYSA-N 1 1 328.412 3.049 50 0 EGAAMO COC(=O)c1cccc(C[N@H+]2CC[C@@H](c3sccc3C)[C@H](O)C2)c1 ZINC000065488325 454576293 /nfs/dbraw/zinc/57/62/93/454576293.db2.gz SBCUUARLQMXAOR-IAGOWNOFSA-N 1 1 345.464 3.194 50 0 EGAAMO Cc1ccc(N2C(=O)C[C@H]([N@H+]3CCC[C@@H]4CCCC[C@@H]43)C2=O)cc1 ZINC000169620460 454930363 /nfs/dbraw/zinc/93/03/63/454930363.db2.gz NZUUPLWSKJXMDC-SZMVWBNQSA-N 1 1 326.440 3.282 50 0 EGAAMO Cn1ccc2c1cccc2C(=O)NC[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000170613501 454942106 /nfs/dbraw/zinc/94/21/06/454942106.db2.gz OTNPOMCTGDFKFI-YJBOKZPZSA-N 1 1 325.456 3.173 50 0 EGAAMO Cn1c(C(=O)NC[C@@H]2CCC[N@H+]3CCCC[C@@H]23)cc2ccccc21 ZINC000170613330 454942519 /nfs/dbraw/zinc/94/25/19/454942519.db2.gz LGUQKRMIUZKWKL-WMZOPIPTSA-N 1 1 325.456 3.173 50 0 EGAAMO CCCc1nc(CNC(=O)[C@@H]2Cc3ccccc3C[N@@H+]2CC)cs1 ZINC000252485244 455810109 /nfs/dbraw/zinc/81/01/09/455810109.db2.gz GPLJYAUGISZSSF-KRWDZBQOSA-N 1 1 343.496 3.159 50 0 EGAAMO CCCc1nc(CNC(=O)[C@@H]2Cc3ccccc3C[N@H+]2CC)cs1 ZINC000252485244 455810114 /nfs/dbraw/zinc/81/01/14/455810114.db2.gz GPLJYAUGISZSSF-KRWDZBQOSA-N 1 1 343.496 3.159 50 0 EGAAMO c1ncn(Cc2ccccc2)c1CN1CCC[N@H+](C2CCCC2)CC1 ZINC000252506630 455816329 /nfs/dbraw/zinc/81/63/29/455816329.db2.gz WBVMDOUDCSIXMW-UHFFFAOYSA-N 1 1 338.499 3.382 50 0 EGAAMO O=C(/C=C/c1ccccc1)N1CC[C@H]([N@H+]2CCc3ccccc3C2)C1 ZINC000225684437 456102508 /nfs/dbraw/zinc/10/25/08/456102508.db2.gz CZASNUVISHWKKE-ZJVMWOEPSA-N 1 1 332.447 3.359 50 0 EGAAMO CCc1[nH+]ccn1CCCNC(=O)Nc1ccc2scnc2c1 ZINC000299764074 456780279 /nfs/dbraw/zinc/78/02/79/456780279.db2.gz RMWQFUDLJQQERN-UHFFFAOYSA-N 1 1 329.429 3.267 50 0 EGAAMO C[N@H+]1CCC[C@@H]1CCNC(=O)c1cccc(-c2ccccc2CO)c1 ZINC000426506547 457845314 /nfs/dbraw/zinc/84/53/14/457845314.db2.gz FBVWKWQCLAWGEQ-LJQANCHMSA-N 1 1 338.451 3.060 50 0 EGAAMO COc1ccc2cc(C(=O)NC[C@H]3CCC[N@H+]4CCCC[C@H]34)[nH]c2c1 ZINC000526052626 459538673 /nfs/dbraw/zinc/53/86/73/459538673.db2.gz XJUXCVHKXDXMQX-DNVCBOLYSA-N 1 1 341.455 3.171 50 0 EGAAMO Cc1[nH]c(C)c(-c2cccc(C(=O)N[C@@H](C)Cc3cccnc3)c2)[nH+]1 ZINC000584892124 459819712 /nfs/dbraw/zinc/81/97/12/459819712.db2.gz IEZMXURGWPYOFM-ZDUSSCGKSA-N 1 1 334.423 3.450 50 0 EGAAMO Cc1[nH]c(C)c(-c2cccc(C(=O)NCc3nc(C)cc(C)n3)c2)[nH+]1 ZINC000584892445 459819970 /nfs/dbraw/zinc/81/99/70/459819970.db2.gz OZMQSQLKKYGPRY-UHFFFAOYSA-N 1 1 335.411 3.030 50 0 EGAAMO COc1cc2nc(NC3=[NH+]C(C)(C)C=C(C)N3)nc(C)c2cc1C ZINC000575443937 548087055 /nfs/dbraw/zinc/08/70/55/548087055.db2.gz ZONYKYGGPFCGFM-UHFFFAOYSA-N 1 1 325.416 3.309 50 0 EGAAMO COCc1nc([C@H]2CCCCC[N@@H+]2C)n(Cc2ccc(OC)cc2)n1 ZINC000670439108 548215953 /nfs/dbraw/zinc/21/59/53/548215953.db2.gz OYBVBDCQVNSGTQ-QGZVFWFLSA-N 1 1 344.459 3.028 50 0 EGAAMO COCc1nc([C@H]2CCCCC[N@H+]2C)n(Cc2ccc(OC)cc2)n1 ZINC000670439108 548215956 /nfs/dbraw/zinc/21/59/56/548215956.db2.gz OYBVBDCQVNSGTQ-QGZVFWFLSA-N 1 1 344.459 3.028 50 0 EGAAMO CN(Cc1ncc[nH]1)C[C@@H]1CCC[N@@H+](CCc2ccc(Cl)cc2)C1 ZINC000012302559 1291131653 /nfs/dbraw/zinc/13/16/53/1291131653.db2.gz MEINLOHDLPQOSC-KRWDZBQOSA-N 1 1 346.906 3.450 50 0 EGAAMO Cc1ccc2[nH]c(=O)c(C[N@H+]3CCCC[C@H]3c3ccn(C)n3)cc2c1 ZINC000067880850 1292176019 /nfs/dbraw/zinc/17/60/19/1292176019.db2.gz PPSWPMDEWHLQMH-IBGZPJMESA-N 1 1 336.439 3.297 50 0 EGAAMO Cc1ccc2[nH]c(=O)c(C[N@@H+]3CCCC[C@H]3c3ccn(C)n3)cc2c1 ZINC000067880850 1292176023 /nfs/dbraw/zinc/17/60/23/1292176023.db2.gz PPSWPMDEWHLQMH-IBGZPJMESA-N 1 1 336.439 3.297 50 0 EGAAMO O=C(CSCc1ccccc1)N[C@@H]1CC[N@H+](Cc2ccsc2)C1 ZINC000618256526 1298099227 /nfs/dbraw/zinc/09/92/27/1298099227.db2.gz JMAFCSNXOUCDQM-QGZVFWFLSA-N 1 1 346.521 3.372 50 0 EGAAMO O=C(CSCc1ccccc1)N[C@@H]1CC[N@@H+](Cc2ccsc2)C1 ZINC000618256526 1298099238 /nfs/dbraw/zinc/09/92/38/1298099238.db2.gz JMAFCSNXOUCDQM-QGZVFWFLSA-N 1 1 346.521 3.372 50 0 EGAAMO O=C(N[C@H]1CC[N@@H+](Cc2ccsc2)C1)c1cc2ccccc2[nH]1 ZINC000618256734 1298099595 /nfs/dbraw/zinc/09/95/95/1298099595.db2.gz LXYNDXFGCXFDLN-HNNXBMFYSA-N 1 1 325.437 3.234 50 0 EGAAMO CC[C@@](C)([NH2+]Cc1ccc(OC)cc1)c1nnnn1-c1ccccc1 ZINC000822668001 1320111203 /nfs/dbraw/zinc/11/12/03/1320111203.db2.gz MTAPMEIVOQOLAQ-LJQANCHMSA-N 1 1 337.427 3.086 50 0 EGAAMO CCc1ncnc(N[C@H]2CCC[N@H+](Cc3ccccc3F)C2)c1F ZINC000952989286 1334631493 /nfs/dbraw/zinc/63/14/93/1334631493.db2.gz VUIQTQXDCVXFBS-AWEZNQCLSA-N 1 1 332.398 3.394 50 0 EGAAMO CCc1ncnc(N[C@H]2CCC[N@@H+](Cc3ccccc3F)C2)c1F ZINC000952989286 1334631497 /nfs/dbraw/zinc/63/14/97/1334631497.db2.gz VUIQTQXDCVXFBS-AWEZNQCLSA-N 1 1 332.398 3.394 50 0 EGAAMO CC[C@H]1C=CC[N@H+]1Cc1cccc(OC)c1OCCn1ccnc1 ZINC000952992217 1334631897 /nfs/dbraw/zinc/63/18/97/1334631897.db2.gz YPDRQNQLAKIXFP-KRWDZBQOSA-N 1 1 327.428 3.121 50 0 EGAAMO Cc1ccc(C2(O)CC[NH+](Cc3nc4c(s3)CCCC4)CC2)nc1 ZINC001704349096 1416452312 /nfs/dbraw/zinc/45/23/12/1416452312.db2.gz PXRMBFAGXGWKCZ-UHFFFAOYSA-N 1 1 343.496 3.209 50 0 EGAAMO Cc1ccc2cc(C[N@H+](C)[C@@H]3C[C@@H]4C[C@H](O)C[C@@H]4C3)c(=O)[nH]c2c1 ZINC001704351944 1416453208 /nfs/dbraw/zinc/45/32/08/1416453208.db2.gz MSBJYRYZDQHQMT-LVYXFOGZSA-N 1 1 326.440 3.230 50 0 EGAAMO CC(C)c1nc(C[NH+]2CCC(c3nnc4ccccn43)CC2)co1 ZINC000097632085 219043043 /nfs/dbraw/zinc/04/30/43/219043043.db2.gz VDFULTFISPHXTI-UHFFFAOYSA-N 1 1 325.416 3.220 50 0 EGAAMO Fc1ccc(C[N@@H+](Cc2cnc3nccn3c2)C[C@@H]2CCCO2)cc1 ZINC000055165823 214282146 /nfs/dbraw/zinc/28/21/46/214282146.db2.gz ZQSLBUITMSOAKR-SFHVURJKSA-N 1 1 340.402 3.050 50 0 EGAAMO Fc1ccc(C[N@H+](Cc2cnc3nccn3c2)C[C@@H]2CCCO2)cc1 ZINC000055165823 214282149 /nfs/dbraw/zinc/28/21/49/214282149.db2.gz ZQSLBUITMSOAKR-SFHVURJKSA-N 1 1 340.402 3.050 50 0 EGAAMO CCC[N@@H+](Cc1cccc(OCCO)c1)Cc1ccccc1OC ZINC000055393422 214316594 /nfs/dbraw/zinc/31/65/94/214316594.db2.gz PMFKSKWCKJUCSH-UHFFFAOYSA-N 1 1 329.440 3.479 50 0 EGAAMO CC[C@H](C)[N@@H+](Cc1ccsc1)Cc1cccc(OCC(N)=O)c1 ZINC000055343954 214309529 /nfs/dbraw/zinc/30/95/29/214309529.db2.gz WBXKLKQPWNFIID-AWEZNQCLSA-N 1 1 332.469 3.413 50 0 EGAAMO C[NH+]1CCN(C(=O)c2ccc(CSc3ccccc3)cc2)CC1 ZINC000004682038 210246642 /nfs/dbraw/zinc/24/66/42/210246642.db2.gz YEGUQCPBJJTKKQ-UHFFFAOYSA-N 1 1 326.465 3.367 50 0 EGAAMO CC(C)[N@H+]1CCc2c(sc3c2C(=O)N[C@H](c2cccn2C)N3)C1 ZINC000004555319 210220260 /nfs/dbraw/zinc/22/02/60/210220260.db2.gz BKEKMVDYLATVPL-HNNXBMFYSA-N 1 1 330.457 3.282 50 0 EGAAMO CC(C)(C)C(=O)NC[C@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccccc2)C1 ZINC000067562096 215161977 /nfs/dbraw/zinc/16/19/77/215161977.db2.gz DCWVVKHDIDOJNN-OAHLLOKOSA-N 1 1 340.471 3.061 50 0 EGAAMO Cc1noc(C)c1[C@H]1CCC[N@H+]1CCn1c2ccccc2oc1=O ZINC000067674425 215179264 /nfs/dbraw/zinc/17/92/64/215179264.db2.gz PSNJJAMXUMRGCU-OAHLLOKOSA-N 1 1 327.384 3.036 50 0 EGAAMO CC[C@H]1C=CCN1C(=O)c1cc(C[N@@H+](C)CCc2ccccc2)on1 ZINC000067754771 215203223 /nfs/dbraw/zinc/20/32/23/215203223.db2.gz MYSCHJUMOQCXHY-KRWDZBQOSA-N 1 1 339.439 3.140 50 0 EGAAMO Cc1ccccc1-c1cc(O)c2c(c1)C[N@@H+](C[C@H](C)CO)CCO2 ZINC000067856312 215233368 /nfs/dbraw/zinc/23/33/68/215233368.db2.gz LECQPXJDURRVJI-AWEZNQCLSA-N 1 1 327.424 3.190 50 0 EGAAMO CS(=O)(=O)c1ccc(C[N@@H+]2CCC[C@H](c3ccccc3)C2)cc1 ZINC000067935472 215253888 /nfs/dbraw/zinc/25/38/88/215253888.db2.gz CBOQKTDKCCOPQP-SFHVURJKSA-N 1 1 329.465 3.470 50 0 EGAAMO CS(=O)(=O)c1ccc(C[N@H+]2CCC[C@H](c3ccccc3)C2)cc1 ZINC000067935472 215253891 /nfs/dbraw/zinc/25/38/91/215253891.db2.gz CBOQKTDKCCOPQP-SFHVURJKSA-N 1 1 329.465 3.470 50 0 EGAAMO CC(C)[N@H+]1CCC[C@H](CCNC(=O)Cc2c[nH]c3ccccc23)C1 ZINC000067973646 215263450 /nfs/dbraw/zinc/26/34/50/215263450.db2.gz BUEDIQQIVWFUCY-MRXNPFEDSA-N 1 1 327.472 3.337 50 0 EGAAMO CC[C@H](C(=O)NC(C)(C)C)[N@@H+]1CCc2[nH]nc(-c3ccccc3)c2C1 ZINC000067947862 215258125 /nfs/dbraw/zinc/25/81/25/215258125.db2.gz MJVJIIURHYEZJN-QGZVFWFLSA-N 1 1 340.471 3.128 50 0 EGAAMO CC[C@H](C(=O)NC(C)(C)C)[N@H+]1CCc2[nH]nc(-c3ccccc3)c2C1 ZINC000067947862 215258128 /nfs/dbraw/zinc/25/81/28/215258128.db2.gz MJVJIIURHYEZJN-QGZVFWFLSA-N 1 1 340.471 3.128 50 0 EGAAMO CC(C)CC[N@H+]1CCN(Cc2c[nH]c3ccccc23)C[C@H]1CCO ZINC000104506620 219392016 /nfs/dbraw/zinc/39/20/16/219392016.db2.gz AZFUYQWOXPIEHM-GOSISDBHSA-N 1 1 329.488 3.083 50 0 EGAAMO CC(C)(C)c1ccc(C(=O)CCC[N@H+]2CCC[C@](O)(CO)CC2)cc1 ZINC000072128066 216019762 /nfs/dbraw/zinc/01/97/62/216019762.db2.gz XEGUOMYHTLMSCV-OAQYLSRUSA-N 1 1 347.499 3.156 50 0 EGAAMO O=C(CC1CC1)N1C[C@H](c2cc(F)cc(F)c2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000072131020 216020877 /nfs/dbraw/zinc/02/08/77/216020877.db2.gz VHSCLEOXQKMCFO-MISYRCLQSA-N 1 1 346.421 3.154 50 0 EGAAMO O=C1NC[C@]2(CCC[N@@H+](Cc3cccc(-c4ccccn4)c3)CC2)O1 ZINC000072146044 216031920 /nfs/dbraw/zinc/03/19/20/216031920.db2.gz GBOVYJYZCBDVAC-HXUWFJFHSA-N 1 1 337.423 3.213 50 0 EGAAMO Cc1ccc(F)cc1NC(=O)N1CCCC[C@H]1CC[NH+]1CCOCC1 ZINC000072150539 216037843 /nfs/dbraw/zinc/03/78/43/216037843.db2.gz UNNUHUBGJYKZAJ-KRWDZBQOSA-N 1 1 349.450 3.243 50 0 EGAAMO CC(=O)NCC[C@@H]1CCCC[N@H+]1Cc1cccc(OC(F)(F)F)c1 ZINC000072150060 216037853 /nfs/dbraw/zinc/03/78/53/216037853.db2.gz LSHWIQFBAMIWAJ-HNNXBMFYSA-N 1 1 344.377 3.466 50 0 EGAAMO CCCC(=O)N1C[C@@H](c2cc(F)cc(F)c2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000072157059 216047475 /nfs/dbraw/zinc/04/74/75/216047475.db2.gz ZBWOGERWVOSBDE-QXAKKESOSA-N 1 1 334.410 3.154 50 0 EGAAMO OC[C@]1(O)CCC[N@@H+](Cc2ccc(Oc3ccccc3)cc2)CC1 ZINC000072166786 216056566 /nfs/dbraw/zinc/05/65/66/216056566.db2.gz FRGIOGQLCZNOLY-FQEVSTJZSA-N 1 1 327.424 3.188 50 0 EGAAMO Cc1ccc([C@@H]2C[N@@H+](Cc3cccnc3N)[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000072173964 216065214 /nfs/dbraw/zinc/06/52/14/216065214.db2.gz PZFSGNZMPTXRAJ-PWRODBHTSA-N 1 1 348.494 3.034 50 0 EGAAMO Cc1ccc([C@@H]2CN(Cc3cccnc3N)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000072173964 216065215 /nfs/dbraw/zinc/06/52/15/216065215.db2.gz PZFSGNZMPTXRAJ-PWRODBHTSA-N 1 1 348.494 3.034 50 0 EGAAMO O=C(C[N@@H+]1CCC[C@H](c2cc[nH]n2)C1)N1CCC[C@H]1c1cccs1 ZINC000072270618 216093067 /nfs/dbraw/zinc/09/30/67/216093067.db2.gz HESIWDKYGNSPGV-HOCLYGCPSA-N 1 1 344.484 3.014 50 0 EGAAMO O=C(C[N@H+]1CCC[C@H](c2cc[nH]n2)C1)N1CCC[C@H]1c1cccs1 ZINC000072270618 216093070 /nfs/dbraw/zinc/09/30/70/216093070.db2.gz HESIWDKYGNSPGV-HOCLYGCPSA-N 1 1 344.484 3.014 50 0 EGAAMO CCc1ncc(C[N@H+]2CCC[C@@H](COc3ccc(F)cc3)C2)cn1 ZINC000072428314 216219168 /nfs/dbraw/zinc/21/91/68/216219168.db2.gz DHRYMTIGUBMQNN-OAHLLOKOSA-N 1 1 329.419 3.469 50 0 EGAAMO Cc1nn2c(nc(C)cc2NC[C@@H]2Cc3ccccc3C[N@@H+]2C)c1C ZINC000072438493 216232716 /nfs/dbraw/zinc/23/27/16/216232716.db2.gz XOYYBHOGLVLHJI-SFHVURJKSA-N 1 1 335.455 3.123 50 0 EGAAMO CCc1cc(NC[C@H]2CC[N@H+](C3CCCCC3)C2)n2nccc2n1 ZINC000072477763 216255838 /nfs/dbraw/zinc/25/58/38/216255838.db2.gz XRURTEQXMJIOGX-OAHLLOKOSA-N 1 1 327.476 3.358 50 0 EGAAMO CCN1CCC([NH2+][C@@H](C)c2cnn(-c3cccc(F)c3)c2C)CC1 ZINC000023619234 212385699 /nfs/dbraw/zinc/38/56/99/212385699.db2.gz JMXOLJMRBMNBGV-AWEZNQCLSA-N 1 1 330.451 3.455 50 0 EGAAMO Cc1ccc(-c2cccc(C[N@@H+]3CC[C@@]4(CN(C)C(=O)O4)C3)c2)o1 ZINC000215121180 241109680 /nfs/dbraw/zinc/10/96/80/241109680.db2.gz GWTMVLGOUCQNDP-LJQANCHMSA-N 1 1 326.396 3.282 50 0 EGAAMO Cc1ccc(-c2cccc(C[N@@H+]3CC[C@]4(CN(C)C(=O)O4)C3)c2)o1 ZINC000215121131 241109778 /nfs/dbraw/zinc/10/97/78/241109778.db2.gz GWTMVLGOUCQNDP-IBGZPJMESA-N 1 1 326.396 3.282 50 0 EGAAMO CN1CC2(CCC1=O)CC[NH+](Cc1ccc(F)c(Cl)c1F)CC2 ZINC000215819193 241146394 /nfs/dbraw/zinc/14/63/94/241146394.db2.gz LMXCIKXSMVSBLP-UHFFFAOYSA-N 1 1 342.817 3.453 50 0 EGAAMO Cc1c2cccc(F)c2[nH]c1C(=O)N1CC([N@@H+]2CCCC[C@H]2C)C1 ZINC000215829756 241150577 /nfs/dbraw/zinc/15/05/77/241150577.db2.gz LSMJJPKNCZMRST-GFCCVEGCSA-N 1 1 329.419 3.314 50 0 EGAAMO Cn1ccc2ccc(C[NH+]3CCC(N4CCSCC4)CC3)cc21 ZINC000216461036 241194265 /nfs/dbraw/zinc/19/42/65/241194265.db2.gz LOXIWPFNSJCHTN-UHFFFAOYSA-N 1 1 329.513 3.192 50 0 EGAAMO CC[C@H](C)Sc1ncc(C[NH+]2CCC(c3cc[nH]n3)CC2)cn1 ZINC000215536537 241132777 /nfs/dbraw/zinc/13/27/77/241132777.db2.gz QOELHPMQNWTCRK-ZDUSSCGKSA-N 1 1 331.489 3.470 50 0 EGAAMO CN1CC[N@@H+](Cc2cccc(-n3cccn3)c2)C[C@@H]1c1ccccc1 ZINC000216529989 241202594 /nfs/dbraw/zinc/20/25/94/241202594.db2.gz JXGZWEXVWDXOEC-OAQYLSRUSA-N 1 1 332.451 3.361 50 0 EGAAMO C[N@@H+]1CCN(Cc2cccc(-n3cccn3)c2)C[C@@H]1c1ccccc1 ZINC000216529989 241202597 /nfs/dbraw/zinc/20/25/97/241202597.db2.gz JXGZWEXVWDXOEC-OAQYLSRUSA-N 1 1 332.451 3.361 50 0 EGAAMO C[N@H+]1CCN(Cc2cccc(-n3cccn3)c2)C[C@@H]1c1ccccc1 ZINC000216529989 241202603 /nfs/dbraw/zinc/20/26/03/241202603.db2.gz JXGZWEXVWDXOEC-OAQYLSRUSA-N 1 1 332.451 3.361 50 0 EGAAMO CCn1cc(CN2CCC[C@H]([N@@H+](C)Cc3ccccc3)C2)c(C)n1 ZINC000020910167 212186316 /nfs/dbraw/zinc/18/63/16/212186316.db2.gz BFJLMODQZHEUNU-FQEVSTJZSA-N 1 1 326.488 3.308 50 0 EGAAMO CSc1ccccc1C(=O)[C@@H]1CCC[N@H+](Cc2cnn(C)c2)C1 ZINC000020854485 212177575 /nfs/dbraw/zinc/17/75/75/212177575.db2.gz FQHPZGOXFFMOFF-OAHLLOKOSA-N 1 1 329.469 3.237 50 0 EGAAMO CSc1ccccc1C(=O)[C@@H]1CCC[N@@H+](Cc2cnn(C)c2)C1 ZINC000020854485 212177580 /nfs/dbraw/zinc/17/75/80/212177580.db2.gz FQHPZGOXFFMOFF-OAHLLOKOSA-N 1 1 329.469 3.237 50 0 EGAAMO Cc1nc(CN(C)C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)cs1 ZINC000244774104 243079564 /nfs/dbraw/zinc/07/95/64/243079564.db2.gz POBYRTHWNMXDAF-LJQANCHMSA-N 1 1 345.512 3.174 50 0 EGAAMO C[C@@H]1CCCC[N@H+]1CCN(C)Cc1nnc(-c2cccc(F)c2)o1 ZINC000244716044 243067919 /nfs/dbraw/zinc/06/79/19/243067919.db2.gz LHHORPWJWWPIMS-CQSZACIVSA-N 1 1 332.423 3.182 50 0 EGAAMO Cc1ccc(OCC(=O)N2CC[NH+](Cc3cccc(C)c3)CC2)cc1 ZINC000019841664 212074040 /nfs/dbraw/zinc/07/40/40/212074040.db2.gz SVANTHDCBDQSHG-UHFFFAOYSA-N 1 1 338.451 3.027 50 0 EGAAMO CC(C)C[N@H+]1CCN(Cc2ccc(F)cc2Cl)C[C@@H]1CCO ZINC000019301111 212014031 /nfs/dbraw/zinc/01/40/31/212014031.db2.gz WTNNZFCCPAZUPX-INIZCTEOSA-N 1 1 328.859 3.004 50 0 EGAAMO CCOC(=O)[C@@]1(Cc2ccccc2)CCC[N@H+](C2CCOCC2)C1 ZINC000014961888 211778720 /nfs/dbraw/zinc/77/87/20/211778720.db2.gz TWKMWHAQZZEOFD-HXUWFJFHSA-N 1 1 331.456 3.053 50 0 EGAAMO CC1CCC2(CC1)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@H]1[C@@H]1CCC[N@H+]12 ZINC000014944447 211773219 /nfs/dbraw/zinc/77/32/19/211773219.db2.gz CFLFEHOWXPFODO-IOVAWJBHSA-N 1 1 338.451 3.219 50 0 EGAAMO CCC[NH+]1CCN(C(=O)[C@H](C)Oc2cc(Cl)ccc2Cl)CC1 ZINC000013327430 211546396 /nfs/dbraw/zinc/54/63/96/211546396.db2.gz YMCIYOZXHINGDL-LBPRGKRZSA-N 1 1 345.270 3.315 50 0 EGAAMO CCn1cc(C[N@@H+]2CCC[C@@H](C(=O)c3cc(F)ccc3OC)C2)cn1 ZINC000012480695 211392195 /nfs/dbraw/zinc/39/21/95/211392195.db2.gz IWOZIRGAAPTNLL-OAHLLOKOSA-N 1 1 345.418 3.146 50 0 EGAAMO CCn1cc(C[N@H+]2CCC[C@@H](C(=O)c3cc(F)ccc3OC)C2)cn1 ZINC000012480695 211392197 /nfs/dbraw/zinc/39/21/97/211392197.db2.gz IWOZIRGAAPTNLL-OAHLLOKOSA-N 1 1 345.418 3.146 50 0 EGAAMO CCn1cc(C[N@H+]2CCC[C@](CO)(CCc3ccccc3)C2)c(C)n1 ZINC000012465808 211389582 /nfs/dbraw/zinc/38/95/82/211389582.db2.gz IIGLSJJHBPLNBQ-NRFANRHFSA-N 1 1 341.499 3.419 50 0 EGAAMO CCOC(=O)[C@@]1(Cc2ccccc2C)CCC[N@H+](C2CCOCC2)C1 ZINC000012456418 211386036 /nfs/dbraw/zinc/38/60/36/211386036.db2.gz QRQNSRJIUXGAHR-OAQYLSRUSA-N 1 1 345.483 3.362 50 0 EGAAMO Cc1cc(C(=O)N[C@@H]2CCC[N@@H+](CCc3ccccc3)C2)c(C)o1 ZINC000012442221 211383286 /nfs/dbraw/zinc/38/32/86/211383286.db2.gz AANGVJPSFAEHHA-GOSISDBHSA-N 1 1 326.440 3.333 50 0 EGAAMO Cc1cc(C[N@H+]2CCC[C@@](CO)(Cc3cccc(Cl)c3)C2)[nH]n1 ZINC000012316890 211344737 /nfs/dbraw/zinc/34/47/37/211344737.db2.gz KJENACGLGLJLSR-GOSISDBHSA-N 1 1 333.863 3.189 50 0 EGAAMO O=C(C[C@@H]1CCc2ccccc21)N1CCC[N@H+](Cc2ccccn2)CC1 ZINC000091551376 218021545 /nfs/dbraw/zinc/02/15/45/218021545.db2.gz XINZDDLXYUJIQI-IBGZPJMESA-N 1 1 349.478 3.236 50 0 EGAAMO O=C(C[C@@H]1CCc2ccccc21)N1CCC[N@@H+](Cc2ccccn2)CC1 ZINC000091551376 218021546 /nfs/dbraw/zinc/02/15/46/218021546.db2.gz XINZDDLXYUJIQI-IBGZPJMESA-N 1 1 349.478 3.236 50 0 EGAAMO COc1cccc(NC(=O)CCC2CC[NH+](Cc3ccon3)CC2)c1 ZINC000011838913 211253407 /nfs/dbraw/zinc/25/34/07/211253407.db2.gz MHCRIQKFQTWIMV-UHFFFAOYSA-N 1 1 343.427 3.314 50 0 EGAAMO CC(C)=CC[C@]1(CO)CCC[N@@H+](Cc2cnn3c2nc(C)cc3C)C1 ZINC000092077960 218115746 /nfs/dbraw/zinc/11/57/46/218115746.db2.gz UFDTUWWKIUMCIN-HXUWFJFHSA-N 1 1 342.487 3.277 50 0 EGAAMO COCC[C@]1(CO)CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000092080929 218116690 /nfs/dbraw/zinc/11/66/90/218116690.db2.gz SMBHHXOYERPUSV-MRXNPFEDSA-N 1 1 331.378 3.316 50 0 EGAAMO COCC[C@@]1(CO)CCC[N@@H+](Cc2ccc3c(c2)CC(C)(C)O3)C1 ZINC000092082023 218117621 /nfs/dbraw/zinc/11/76/21/218117621.db2.gz ZYWCQOGYAWBMCX-FQEVSTJZSA-N 1 1 333.472 3.011 50 0 EGAAMO CCCN1C[C@H]2CC[C@@H]1C[N@@H+](Cc1ccc(Cn3cccn3)cc1)C2 ZINC000095356624 218290187 /nfs/dbraw/zinc/29/01/87/218290187.db2.gz HVZROISMKZIFCL-LEWJYISDSA-N 1 1 338.499 3.238 50 0 EGAAMO CCC[N@@H+]1C[C@H]2CC[C@@H]1CN(Cc1ccc(Cn3cccn3)cc1)C2 ZINC000095356624 218290190 /nfs/dbraw/zinc/29/01/90/218290190.db2.gz HVZROISMKZIFCL-LEWJYISDSA-N 1 1 338.499 3.238 50 0 EGAAMO CCC[N@H+]1C[C@H]2CC[C@@H]1CN(Cc1ccc(Cn3cccn3)cc1)C2 ZINC000095356624 218290192 /nfs/dbraw/zinc/29/01/92/218290192.db2.gz HVZROISMKZIFCL-LEWJYISDSA-N 1 1 338.499 3.238 50 0 EGAAMO O=C([O-])CC[NH+]1CCC2(CC1)C[C@H](c1ccccc1)C[N@H+](C1CC1)C2 ZINC000095374010 218306397 /nfs/dbraw/zinc/30/63/97/218306397.db2.gz QAEMIWYRZTUKHV-SFHVURJKSA-N 1 1 342.483 3.195 50 0 EGAAMO CCCC(=O)N1C[C@@H](c2cccc(F)c2F)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095387226 218319779 /nfs/dbraw/zinc/31/97/79/218319779.db2.gz ROJXHBLURPOISP-GDIGMMSISA-N 1 1 334.410 3.154 50 0 EGAAMO CC(C)c1nc(CCNC(=O)[C@H](c2ccc(F)cc2)[NH+](C)C)cs1 ZINC000095390257 218321696 /nfs/dbraw/zinc/32/16/96/218321696.db2.gz GHGXDKLRDQWSDO-INIZCTEOSA-N 1 1 349.475 3.367 50 0 EGAAMO C[NH+](C)[C@@H](C(=O)NCc1ccc2cc[nH]c2c1)c1ccc(F)cc1 ZINC000095390900 218323105 /nfs/dbraw/zinc/32/31/05/218323105.db2.gz KCTFHMXBVVIJHK-GOSISDBHSA-N 1 1 325.387 3.226 50 0 EGAAMO C[NH+](C)Cc1ccc(C(=O)N[C@@H]2CCC[C@H]2OCc2ccccc2)o1 ZINC000097594727 219036920 /nfs/dbraw/zinc/03/69/20/219036920.db2.gz MNNMQBZMDPYJMN-QZTJIDSGSA-N 1 1 342.439 3.209 50 0 EGAAMO Cn1cncc1-c1nc([C@H]2C[C@@H](c3ccccc3)[N@H+]3CCC[C@H]23)no1 ZINC000299785877 258093021 /nfs/dbraw/zinc/09/30/21/258093021.db2.gz SBTWHEBTDQIBAG-XHSDSOJGSA-N 1 1 335.411 3.163 50 0 EGAAMO CO[C@]12CC[N@@H+](Cc3nc(-c4ccccc4)cs3)[C@H]1C[C@H](O)CC2 ZINC000299800361 258103371 /nfs/dbraw/zinc/10/33/71/258103371.db2.gz VZUNPCPEAGUMGX-HHXXYDBFSA-N 1 1 344.480 3.314 50 0 EGAAMO CCOc1ccccc1N1CC[NH+](Cc2ccccc2OC)CC1 ZINC000055543123 132195488 /nfs/dbraw/zinc/19/54/88/132195488.db2.gz SAINJWHLBUQUIS-UHFFFAOYSA-N 1 1 326.440 3.416 50 0 EGAAMO COc1cc(C[NH+]2CCN(c3ccccc3C)CC2)cc(OC)c1O ZINC000055543088 132195578 /nfs/dbraw/zinc/19/55/78/132195578.db2.gz BMMYQOXCGKYYEJ-UHFFFAOYSA-N 1 1 342.439 3.040 50 0 EGAAMO CC(C)C(=O)NC[C@@H](C)Oc1cccc(C[N@@H+](C)Cc2ccoc2)c1 ZINC000011910791 262521494 /nfs/dbraw/zinc/52/14/94/262521494.db2.gz JTDGYLXENLVVBQ-MRXNPFEDSA-N 1 1 344.455 3.451 50 0 EGAAMO CCOC(=O)[C@H]1CCC[N@H+](Cc2cccc(Br)c2)C1 ZINC000000237287 452544414 /nfs/dbraw/zinc/54/44/14/452544414.db2.gz IUVNYPFVAMKOBY-ZDUSSCGKSA-N 1 1 326.234 3.224 50 0 EGAAMO CCOC(=O)[C@H]1CCC[N@@H+](Cc2cccc(Br)c2)C1 ZINC000000237287 452544421 /nfs/dbraw/zinc/54/44/21/452544421.db2.gz IUVNYPFVAMKOBY-ZDUSSCGKSA-N 1 1 326.234 3.224 50 0 EGAAMO COc1ccc(C[NH+]2CCN(c3ccccc3F)CC2)cc1OC ZINC000000294047 452557475 /nfs/dbraw/zinc/55/74/75/452557475.db2.gz HNGXSMCVXJMNLH-UHFFFAOYSA-N 1 1 330.403 3.165 50 0 EGAAMO CCOC(=O)c1ccccc1C(=O)c1ccccc1C[NH+]1CC=CC1 ZINC000002515881 452702619 /nfs/dbraw/zinc/70/26/19/452702619.db2.gz KNFXGQMTGDLHBJ-UHFFFAOYSA-N 1 1 335.403 3.466 50 0 EGAAMO CCc1cc(C(=O)OC)c(NC(=O)C[NH+]2C[C@@H](C)C[C@H](C)C2)s1 ZINC000006699880 452972521 /nfs/dbraw/zinc/97/25/21/452972521.db2.gz MZTGXIZLLWVUKX-RYUDHWBXSA-N 1 1 338.473 3.014 50 0 EGAAMO c1cnc(N2CCC([C@@H]3CC[N@H+](C4Cc5ccccc5C4)C3)CC2)nc1 ZINC000011933245 453340649 /nfs/dbraw/zinc/34/06/49/453340649.db2.gz IBXDDSMLQMRXNP-HXUWFJFHSA-N 1 1 348.494 3.182 50 0 EGAAMO Cc1ccccc1C[N@@H+]1CCc2nnc(CCc3ccccc3)n2CC1 ZINC000014958980 453549672 /nfs/dbraw/zinc/54/96/72/453549672.db2.gz NOOBSYHJNCOPBC-UHFFFAOYSA-N 1 1 346.478 3.430 50 0 EGAAMO Cc1ncc(C[NH+]2CCC(n3cc(C4CCCCC4)nn3)CC2)cn1 ZINC000019111260 453654026 /nfs/dbraw/zinc/65/40/26/453654026.db2.gz CWYWRJQFHUZWDQ-UHFFFAOYSA-N 1 1 340.475 3.261 50 0 EGAAMO COc1cccc(N2CCC([N@@H+]3CCC[C@H](N4CCCC4)C3)CC2)c1 ZINC000019791142 453659909 /nfs/dbraw/zinc/65/99/09/453659909.db2.gz OAFJANDWLIXYHK-FQEVSTJZSA-N 1 1 343.515 3.224 50 0 EGAAMO COc1cccc(N2CCC([N@H+]3CCC[C@H](N4CCCC4)C3)CC2)c1 ZINC000019791142 453659914 /nfs/dbraw/zinc/65/99/14/453659914.db2.gz OAFJANDWLIXYHK-FQEVSTJZSA-N 1 1 343.515 3.224 50 0 EGAAMO CCCc1ncc(C[N@H+]2CCC[C@]3(CCC(=O)N(C(C)C)C3)C2)cn1 ZINC000082109536 453924446 /nfs/dbraw/zinc/92/44/46/453924446.db2.gz FNRRIYPJXXUFBU-FQEVSTJZSA-N 1 1 344.503 3.042 50 0 EGAAMO O=C(NC[C@@H]1CC[N@H+](Cc2ccccc2OC(F)F)C1)C1CCC1 ZINC000067724850 453960926 /nfs/dbraw/zinc/96/09/26/453960926.db2.gz VZCYPCKZAGYRGU-ZDUSSCGKSA-N 1 1 338.398 3.026 50 0 EGAAMO CCCCN1C[C@@]2(CCC[N@@H+](Cc3c(C)noc3C)C2)CCC1=O ZINC000077419461 454104448 /nfs/dbraw/zinc/10/44/48/454104448.db2.gz PLBKAQUAJNOABM-IBGZPJMESA-N 1 1 333.476 3.296 50 0 EGAAMO COc1cccc(OC)c1OC1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000044976722 454130915 /nfs/dbraw/zinc/13/09/15/454130915.db2.gz WUOVYWDGDREYJZ-UHFFFAOYSA-N 1 1 343.427 3.158 50 0 EGAAMO C[C@@H]1CCCC[N@H+]1C1CN(c2nccc(CCC(F)(F)F)n2)C1 ZINC000071405621 454206679 /nfs/dbraw/zinc/20/66/79/454206679.db2.gz PTJOWTRKZNIWEP-GFCCVEGCSA-N 1 1 328.382 3.035 50 0 EGAAMO Oc1cccc(C[N@H+]2C[C@@H](c3ccccc3)[C@@H]3[C@H]2C2CCN3CC2)c1 ZINC000071498757 454207213 /nfs/dbraw/zinc/20/72/13/454207213.db2.gz CWICTXXXEWJNDV-BHDDXSALSA-N 1 1 334.463 3.454 50 0 EGAAMO COc1ccc(-c2nc(C[N@@H+](C)CC(C)(C)CO)c(C)o2)c(F)c1 ZINC000071746044 454211724 /nfs/dbraw/zinc/21/17/24/454211724.db2.gz POXGUNQDUTYJHQ-UHFFFAOYSA-N 1 1 336.407 3.248 50 0 EGAAMO Cc1nnc(CN2CCC[N@@H+](Cc3ccc(F)cc3)[C@H](C(C)C)C2)o1 ZINC000071749528 454213356 /nfs/dbraw/zinc/21/33/56/454213356.db2.gz KDGBUCKXRPQKHU-SFHVURJKSA-N 1 1 346.450 3.250 50 0 EGAAMO CSc1ccc(C(=O)[C@@H]2CCC[N@H+](CC(=O)N(C)C(C)C)C2)cc1 ZINC000071749103 454213609 /nfs/dbraw/zinc/21/36/09/454213609.db2.gz YDKICABGOZQWCL-MRXNPFEDSA-N 1 1 348.512 3.170 50 0 EGAAMO CSc1ccc(C(=O)[C@@H]2CCC[N@@H+](CC(=O)N(C)C(C)C)C2)cc1 ZINC000071749103 454213613 /nfs/dbraw/zinc/21/36/13/454213613.db2.gz YDKICABGOZQWCL-MRXNPFEDSA-N 1 1 348.512 3.170 50 0 EGAAMO COc1ccc(F)c(-c2nc(C[N@H+]3CCC[C@@H](OC)C3)c(C)o2)c1 ZINC000071752567 454214757 /nfs/dbraw/zinc/21/47/57/454214757.db2.gz WOQDVTAMDVHARU-CQSZACIVSA-N 1 1 334.391 3.409 50 0 EGAAMO COc1ccc(F)c(-c2nc(C[N@@H+]3CCC[C@@H](OC)C3)c(C)o2)c1 ZINC000071752567 454214760 /nfs/dbraw/zinc/21/47/60/454214760.db2.gz WOQDVTAMDVHARU-CQSZACIVSA-N 1 1 334.391 3.409 50 0 EGAAMO CC(C)[C@H]1C[N@@H+](CCn2ccnc2)CCCN1Cc1ccc(F)cc1 ZINC000071758990 454215591 /nfs/dbraw/zinc/21/55/91/454215591.db2.gz FPHKNANNBCOGBW-HXUWFJFHSA-N 1 1 344.478 3.255 50 0 EGAAMO CC(C)[C@H]1CN(CCn2ccnc2)CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000071758990 454215594 /nfs/dbraw/zinc/21/55/94/454215594.db2.gz FPHKNANNBCOGBW-HXUWFJFHSA-N 1 1 344.478 3.255 50 0 EGAAMO CC(C)[C@H]1CN(CCn2ccnc2)CCC[N@H+]1Cc1ccc(F)cc1 ZINC000071758990 454215596 /nfs/dbraw/zinc/21/55/96/454215596.db2.gz FPHKNANNBCOGBW-HXUWFJFHSA-N 1 1 344.478 3.255 50 0 EGAAMO CCc1[nH+]ccn1CCC(=O)N1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000071759865 454215894 /nfs/dbraw/zinc/21/58/94/454215894.db2.gz LUOXRZXUZHHTNT-INIZCTEOSA-N 1 1 347.846 3.089 50 0 EGAAMO CC(=O)c1ccc(NC(=O)N2CCC[N@H+](C3CCCC3)CC2)cc1 ZINC000095507427 454223473 /nfs/dbraw/zinc/22/34/73/454223473.db2.gz MNQMPDQLOWQZMW-UHFFFAOYSA-N 1 1 329.444 3.371 50 0 EGAAMO CCCCc1ccc(NC(=O)N2CCC([NH+]3CCOCC3)CC2)cc1 ZINC000095517528 454226107 /nfs/dbraw/zinc/22/61/07/454226107.db2.gz MBXKAHDPUWHFSB-UHFFFAOYSA-N 1 1 345.487 3.358 50 0 EGAAMO Cc1ccc(CSc2nc(NCC3(CO)CCC3)cc(N)[nH+]2)cc1 ZINC000095523326 454227636 /nfs/dbraw/zinc/22/76/36/454227636.db2.gz KXUGNJQIUWIMLL-UHFFFAOYSA-N 1 1 344.484 3.234 50 0 EGAAMO Cc1ccc(CSc2nc(N)cc(NCC3(CO)CCC3)[nH+]2)cc1 ZINC000095523326 454227640 /nfs/dbraw/zinc/22/76/40/454227640.db2.gz KXUGNJQIUWIMLL-UHFFFAOYSA-N 1 1 344.484 3.234 50 0 EGAAMO CN(Cc1cc(C(C)(C)C)[nH]n1)C(=O)c1ccccc1[C@@H]1CC[NH2+]C1 ZINC000072161103 454273878 /nfs/dbraw/zinc/27/38/78/454273878.db2.gz DLYHGBMZDSOVRI-CQSZACIVSA-N 1 1 340.471 3.056 50 0 EGAAMO Cc1ccn2cc(C[N@H+]3CCCC[C@@H]3CCN3CCCC3=O)nc2c1 ZINC000072164197 454273885 /nfs/dbraw/zinc/27/38/85/454273885.db2.gz YDHBMRFGGGTOBS-GOSISDBHSA-N 1 1 340.471 3.010 50 0 EGAAMO C[N@H+]1CC[C@@]2(C1)CCCN(C(=O)Nc1cc(F)c(F)cc1F)C2 ZINC000096138123 454291615 /nfs/dbraw/zinc/29/16/15/454291615.db2.gz ROMQBOFTVXFIIU-MRXNPFEDSA-N 1 1 327.350 3.054 50 0 EGAAMO COc1ccc(-c2nc(N)nc3c2C[N@@H+](C[C@H]2CC=CCC2)C3)cc1 ZINC000065374845 454555891 /nfs/dbraw/zinc/55/58/91/454555891.db2.gz UBIZFEKSDIEQBP-AWEZNQCLSA-N 1 1 336.439 3.406 50 0 EGAAMO O=C(NCC1=CCC[N@H+]([C@@H]2C=CCCC2)C1)c1ccnc(Cl)c1 ZINC000065387487 454557418 /nfs/dbraw/zinc/55/74/18/454557418.db2.gz LHUVWGQDBDHUFW-MRXNPFEDSA-N 1 1 331.847 3.206 50 0 EGAAMO Cc1nn(C)c(C)c1C[N@H+](CCC(=O)Nc1ccccc1F)C(C)C ZINC000065384813 454557498 /nfs/dbraw/zinc/55/74/98/454557498.db2.gz STAZAPVUFGTKTL-UHFFFAOYSA-N 1 1 346.450 3.415 50 0 EGAAMO C[N@@H+](CCC[C@H]1CCCO1)CC(=O)Nc1ccc(Cl)cc1F ZINC000065409317 454562049 /nfs/dbraw/zinc/56/20/49/454562049.db2.gz PQDBMWYBBUVLDV-ZDUSSCGKSA-N 1 1 328.815 3.309 50 0 EGAAMO COc1ccccc1CNC(=O)C[N@H+]1CCC[C@H]1c1ccccc1C ZINC000065425955 454565520 /nfs/dbraw/zinc/56/55/20/454565520.db2.gz YBNHTKLNNCMMIH-IBGZPJMESA-N 1 1 338.451 3.457 50 0 EGAAMO O=C1C[C@H]2CC[C@@H](CN1)[N@@H+]2Cc1ccc(-c2ccccc2Cl)o1 ZINC000065464856 454572075 /nfs/dbraw/zinc/57/20/75/454572075.db2.gz JCYANIZYEJOHGX-OLZOCXBDSA-N 1 1 330.815 3.453 50 0 EGAAMO C[N@@H+](Cc1ccccc1NC(=O)N[C@@H]1CCOC1)C1CCCCC1 ZINC000179152138 455014238 /nfs/dbraw/zinc/01/42/38/455014238.db2.gz PORPTTJQZFTMNN-MRXNPFEDSA-N 1 1 331.460 3.362 50 0 EGAAMO Cc1ccc(N2CCC(C(=O)N3CCOc4ccccc43)CC2)[nH+]c1 ZINC000194331031 455828323 /nfs/dbraw/zinc/82/83/23/455828323.db2.gz RCQAAKZVHNQASC-UHFFFAOYSA-N 1 1 337.423 3.032 50 0 EGAAMO Cc1c[nH]c(CN(C)C(=O)NCC[C@@H]2CCCC[N@H+]2C2CCCC2)n1 ZINC000426597235 457860576 /nfs/dbraw/zinc/86/05/76/457860576.db2.gz NZFRNWPFGQKGEX-KRWDZBQOSA-N 1 1 347.507 3.047 50 0 EGAAMO CCOc1ccc2nc(CN3CCC[N@H+]4CCC[C@H]4C3)ccc2c1 ZINC000215372659 535442059 /nfs/dbraw/zinc/44/20/59/535442059.db2.gz TVLJHYDKNBQWQR-SFHVURJKSA-N 1 1 325.456 3.304 50 0 EGAAMO O=C(NC[C@H](c1cccnc1)[NH+]1CCCCC1)c1cccn1C1CC1 ZINC000670461385 548218929 /nfs/dbraw/zinc/21/89/29/548218929.db2.gz NGQVBCLMMXQQGL-LJQANCHMSA-N 1 1 338.455 3.175 50 0 EGAAMO Cc1nc(CC(=O)N[C@@H]2CCC[N@H+](C3CCCCCC3)C2)cs1 ZINC000012299048 1291131300 /nfs/dbraw/zinc/13/13/00/1291131300.db2.gz FJOINVCNQAWCAJ-OAHLLOKOSA-N 1 1 335.517 3.297 50 0 EGAAMO O=C(CN1CCCCCC1)N[C@@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC000012587787 1291133098 /nfs/dbraw/zinc/13/30/98/1291133098.db2.gz MNFNKNKMNNEDQX-LJQANCHMSA-N 1 1 335.536 3.023 50 0 EGAAMO O=C(CN1CCCCCC1)N[C@@H]1CCC[N@@H+](CC2CCCCC2)C1 ZINC000012587787 1291133101 /nfs/dbraw/zinc/13/31/01/1291133101.db2.gz MNFNKNKMNNEDQX-LJQANCHMSA-N 1 1 335.536 3.023 50 0 EGAAMO CCCC[N@@H+](C)[C@@H]1CCc2c(c(C(=O)N3CCCCC3)nn2CC)C1 ZINC000014749382 1291143314 /nfs/dbraw/zinc/14/33/14/1291143314.db2.gz WGQIUGNOKJEGIZ-MRXNPFEDSA-N 1 1 346.519 3.118 50 0 EGAAMO O=c1c(C[N@H+](CCO)Cc2ccccc2)coc2ccc(Cl)cc12 ZINC000023282177 1291233498 /nfs/dbraw/zinc/23/34/98/1291233498.db2.gz LJBKTVWACOBSKU-UHFFFAOYSA-N 1 1 343.810 3.441 50 0 EGAAMO O=c1c(C[N@@H+](CCO)Cc2ccccc2)coc2ccc(Cl)cc12 ZINC000023282177 1291233503 /nfs/dbraw/zinc/23/35/03/1291233503.db2.gz LJBKTVWACOBSKU-UHFFFAOYSA-N 1 1 343.810 3.441 50 0 EGAAMO c1cc(CNc2nc(C3CCCC3)nc3c2C[NH2+]C3)cc2c1OCO2 ZINC000072128148 1292275855 /nfs/dbraw/zinc/27/58/55/1292275855.db2.gz WAZOAVBZNWLJDP-UHFFFAOYSA-N 1 1 338.411 3.078 50 0 EGAAMO Cc1nc(CC(=O)Nc2ccccc2Cn2cc[nH+]c2C)cs1 ZINC000828075277 1292427303 /nfs/dbraw/zinc/42/73/03/1292427303.db2.gz SVDTULKOGIINRL-UHFFFAOYSA-N 1 1 326.425 3.186 50 0 EGAAMO CCOc1ccnc(N[C@H]2CCC[N@@H+](Cc3ccccc3F)C2)n1 ZINC000952864123 1334582819 /nfs/dbraw/zinc/58/28/19/1334582819.db2.gz IJHZGXXPDOMSOU-HNNXBMFYSA-N 1 1 330.407 3.091 50 0 EGAAMO CSc1cccc(C[N@H+](Cc2ccncc2)C[C@@H]2CCC(=O)N2)c1 ZINC000952868082 1334583571 /nfs/dbraw/zinc/58/35/71/1334583571.db2.gz XZIQOJJAJLXATJ-KRWDZBQOSA-N 1 1 341.480 3.084 50 0 EGAAMO CCN1C[C@@H](C[N@@H+](C)Cc2cc(C(C)C)c(OC)cc2C)CC1=O ZINC000952868595 1334584257 /nfs/dbraw/zinc/58/42/57/1334584257.db2.gz CPGCBPYYFARYAY-MRXNPFEDSA-N 1 1 332.488 3.427 50 0 EGAAMO CC[C@@H]1CCCCN1CC(=O)Nc1cccc(C[NH+]2CCCC2)c1 ZINC000952984297 1334630773 /nfs/dbraw/zinc/63/07/73/1334630773.db2.gz ZMPXVUCHILDACX-LJQANCHMSA-N 1 1 329.488 3.485 50 0 EGAAMO Cc1ccc(NC2(C(=O)NC[C@H]3CC[N@H+](C)C3)CCCCC2)cc1 ZINC000952988460 1334631105 /nfs/dbraw/zinc/63/11/05/1334631105.db2.gz QIMFLABOOMKEGF-QGZVFWFLSA-N 1 1 329.488 3.178 50 0 EGAAMO CN(CCCOc1ccc(Cl)cc1)C(=O)C[N@@H+](C)C1CCCC1 ZINC000952990950 1334631934 /nfs/dbraw/zinc/63/19/34/1334631934.db2.gz NODZLLQNEXEDRW-UHFFFAOYSA-N 1 1 338.879 3.442 50 0 EGAAMO Cc1nc2sccc2c(N2CCC[N@@H+](Cc3ccccn3)CC2)n1 ZINC001704311611 1416439159 /nfs/dbraw/zinc/43/91/59/1416439159.db2.gz NUWROFAFMDCYOS-UHFFFAOYSA-N 1 1 339.468 3.107 50 0 EGAAMO CC[C@@]1(O)CCC[C@@H]2C[N@@H+](Cc3ccc4c(c3)OC(F)(F)O4)C[C@@H]21 ZINC001704339052 1416448883 /nfs/dbraw/zinc/44/88/83/1416448883.db2.gz CGHBLYVFZMRHHS-JKIFEVAISA-N 1 1 339.382 3.381 50 0 EGAAMO Cc1nn(C)cc1C[N@H+](C/C=C/c1ccccc1)C[C@H]1CCCO1 ZINC001704357698 1416455228 /nfs/dbraw/zinc/45/52/28/1416455228.db2.gz WHZGMHFDHDNLMD-CLOLKSBNSA-N 1 1 325.456 3.423 50 0 EGAAMO Cc1nn(C)cc1C[N@@H+](C/C=C/c1ccccc1)C[C@H]1CCCO1 ZINC001704357698 1416455232 /nfs/dbraw/zinc/45/52/32/1416455232.db2.gz WHZGMHFDHDNLMD-CLOLKSBNSA-N 1 1 325.456 3.423 50 0 EGAAMO OC[C@@]12C[N@@H+](Cc3cccc4c5ccccc5oc43)C[C@@H]1COCC2 ZINC001772706340 1441417145 /nfs/dbraw/zinc/41/71/45/1441417145.db2.gz YZGYNXKICNQICL-IIBYNOLFSA-N 1 1 337.419 3.417 50 0 EGAAMO CCSC[C@H](C)[N@H+]1CCCN(C(=O)c2cccc(F)c2F)CC1 ZINC001772811247 1441417631 /nfs/dbraw/zinc/41/76/31/1441417631.db2.gz UVDWIFMVOOUCER-ZDUSSCGKSA-N 1 1 342.455 3.254 50 0 EGAAMO Nc1nc(C[NH+]2CCCCCC2)nc(Nc2ccc(Cl)cc2)n1 ZINC000004736690 210264793 /nfs/dbraw/zinc/26/47/93/210264793.db2.gz QQWBZIWUIWVIKF-UHFFFAOYSA-N 1 1 332.839 3.227 50 0 EGAAMO CCc1oc(C(=O)NCc2cc(C3CC3)[nH]n2)cc1C[NH+](CC)CC ZINC000055383233 214314361 /nfs/dbraw/zinc/31/43/61/214314361.db2.gz BGWLXTQVJGVBLQ-UHFFFAOYSA-N 1 1 344.459 3.214 50 0 EGAAMO CCOc1ccc2nc(C[N@@H+](C)[C@H](C)Cc3cnccn3)ccc2c1 ZINC000097784983 219056894 /nfs/dbraw/zinc/05/68/94/219056894.db2.gz ULWZNJXUGZPWRX-OAHLLOKOSA-N 1 1 336.439 3.487 50 0 EGAAMO c1nc2c([nH]1)[C@@H](Cc1ccccc1)[N@@H+](Cc1cccc3nonc31)CC2 ZINC000067642534 215171659 /nfs/dbraw/zinc/17/16/59/215171659.db2.gz JPIBRQPOJUQUKG-GOSISDBHSA-N 1 1 345.406 3.288 50 0 EGAAMO CC(C)[NH+]1CCC(C(=O)N(C)Cc2nc3ccc(Cl)cc3[nH]2)CC1 ZINC000067673499 215178977 /nfs/dbraw/zinc/17/89/77/215178977.db2.gz XXDYMLHMOXQHMU-UHFFFAOYSA-N 1 1 348.878 3.295 50 0 EGAAMO Cc1[nH+]ccn1[C@H](C)C(=O)NCc1cc(-c2ccccc2Cl)on1 ZINC000067713083 215191011 /nfs/dbraw/zinc/19/10/11/215191011.db2.gz QWWPTSVLSOAGSS-LLVKDONJSA-N 1 1 344.802 3.377 50 0 EGAAMO C[N@@H+]1CCC=C(c2noc([C@H]3CCCN3C(=O)C3CCCCC3)n2)C1 ZINC000067820012 215221608 /nfs/dbraw/zinc/22/16/08/215221608.db2.gz KQOGYTOVKJWZSI-MRXNPFEDSA-N 1 1 344.459 3.032 50 0 EGAAMO C[N@H+]1CCC=C(c2noc([C@H]3CCCN3C(=O)C3CCCCC3)n2)C1 ZINC000067820012 215221611 /nfs/dbraw/zinc/22/16/11/215221611.db2.gz KQOGYTOVKJWZSI-MRXNPFEDSA-N 1 1 344.459 3.032 50 0 EGAAMO Cc1ccc(-c2cc(O)c3c(c2)C[N@@H+](CCCCO)CCO3)s1 ZINC000067868714 215236617 /nfs/dbraw/zinc/23/66/17/215236617.db2.gz YZSALHCMUFHQQQ-UHFFFAOYSA-N 1 1 333.453 3.396 50 0 EGAAMO Cc1ccc(-c2cc(O)c3c(c2)C[N@H+](CCCCO)CCO3)s1 ZINC000067868714 215236619 /nfs/dbraw/zinc/23/66/19/215236619.db2.gz YZSALHCMUFHQQQ-UHFFFAOYSA-N 1 1 333.453 3.396 50 0 EGAAMO CSc1ccc2cc(C[N@@H+](C)[C@H](C)c3ccncn3)c(=O)[nH]c2c1 ZINC000067884471 215241429 /nfs/dbraw/zinc/24/14/29/215241429.db2.gz FQJKOOHVKPEPQP-GFCCVEGCSA-N 1 1 340.452 3.233 50 0 EGAAMO Cc1[nH+]ccn1CC[C@H]1CCCCN1C(=O)c1cc(C(C)C)no1 ZINC000067946929 215255497 /nfs/dbraw/zinc/25/54/97/215255497.db2.gz MFLPZVPYIBHKRO-OAHLLOKOSA-N 1 1 330.432 3.388 50 0 EGAAMO CCc1c[nH]nc1[C@H]1CCC[N@@H+](Cc2cnn3c2nc(C)cc3C)C1 ZINC000067964942 215260743 /nfs/dbraw/zinc/26/07/43/215260743.db2.gz BEXMPIKYAOXRFP-INIZCTEOSA-N 1 1 338.459 3.011 50 0 EGAAMO CSc1ccc(CN2CC[N@@H+](CC(C)(C)C)[C@H](CCO)C2)cc1 ZINC000104393330 219384073 /nfs/dbraw/zinc/38/40/73/219384073.db2.gz YOFZKULZUAEGTN-QGZVFWFLSA-N 1 1 336.545 3.323 50 0 EGAAMO COc1ccccc1/C=C/CN1CC[N@@H+](C2CCCC2)[C@H](CCO)C1 ZINC000039509692 213237540 /nfs/dbraw/zinc/23/75/40/213237540.db2.gz QHBDWZIGYFBVLA-CPSHHHPTSA-N 1 1 344.499 3.020 50 0 EGAAMO O=C(NCCC[N@H+]1CCO[C@@H](c2ccccc2)C1)NC1CCCCC1 ZINC000038572355 213215668 /nfs/dbraw/zinc/21/56/68/213215668.db2.gz XQVUMLKSMUWLGO-LJQANCHMSA-N 1 1 345.487 3.082 50 0 EGAAMO O=C(NCCC[N@@H+]1CCO[C@@H](c2ccccc2)C1)NC1CCCCC1 ZINC000038572355 213215667 /nfs/dbraw/zinc/21/56/67/213215667.db2.gz XQVUMLKSMUWLGO-LJQANCHMSA-N 1 1 345.487 3.082 50 0 EGAAMO C[NH+]1CCN(C(=O)c2cc3ccccc3n2Cc2ccccc2)CC1 ZINC000035623001 213044263 /nfs/dbraw/zinc/04/42/63/213044263.db2.gz CFRBSNXXFIJIDQ-UHFFFAOYSA-N 1 1 333.435 3.077 50 0 EGAAMO Cc1ccc([C@H]2C[N@@H+](Cc3cccnc3N)[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000072128865 216019848 /nfs/dbraw/zinc/01/98/48/216019848.db2.gz PZFSGNZMPTXRAJ-NJDAHSKKSA-N 1 1 348.494 3.034 50 0 EGAAMO Cc1ccc([C@H]2CN(Cc3cccnc3N)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000072128865 216019849 /nfs/dbraw/zinc/01/98/49/216019849.db2.gz PZFSGNZMPTXRAJ-NJDAHSKKSA-N 1 1 348.494 3.034 50 0 EGAAMO c1csc(C[N@@H+]2CCCN(Cc3ccc4c(c3)OCCO4)CC2)c1 ZINC000072144881 216030662 /nfs/dbraw/zinc/03/06/62/216030662.db2.gz MBDQUKKHQSSKIE-UHFFFAOYSA-N 1 1 344.480 3.227 50 0 EGAAMO Cc1ccccc1CC[C@@H]1CCC[N@H+](CC(=O)Nc2cnn(C)c2)C1 ZINC000072146565 216033923 /nfs/dbraw/zinc/03/39/23/216033923.db2.gz BERIQFHQESTHOI-KRWDZBQOSA-N 1 1 340.471 3.012 50 0 EGAAMO Cc1nn(C)c(C)c1C[N@@H+](C)Cc1ccc(CCC(C)(C)O)cc1 ZINC000072430549 216223360 /nfs/dbraw/zinc/22/33/60/216223360.db2.gz HWCAGNYPFFGYRH-UHFFFAOYSA-N 1 1 329.488 3.372 50 0 EGAAMO CCCCCCN1CC2(CC[NH+](Cc3cc(C)no3)CC2)OC1=O ZINC000072454224 216241643 /nfs/dbraw/zinc/24/16/43/216241643.db2.gz NFGDUNHGZOPIFH-UHFFFAOYSA-N 1 1 335.448 3.350 50 0 EGAAMO OCC[C@@H]1C[N@@H+](CCCc2ccccc2)CCN1Cc1ccccc1 ZINC000022932929 212336315 /nfs/dbraw/zinc/33/63/15/212336315.db2.gz MYWSYHYVVOEAGJ-JOCHJYFZSA-N 1 1 338.495 3.188 50 0 EGAAMO OCC[C@@H]1CN(CCCc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000022932929 212336318 /nfs/dbraw/zinc/33/63/18/212336318.db2.gz MYWSYHYVVOEAGJ-JOCHJYFZSA-N 1 1 338.495 3.188 50 0 EGAAMO OCC[C@@H]1CN(CCCc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000022932929 212336321 /nfs/dbraw/zinc/33/63/21/212336321.db2.gz MYWSYHYVVOEAGJ-JOCHJYFZSA-N 1 1 338.495 3.188 50 0 EGAAMO Cc1ccc(-c2ccc(C[NH+]3CCN(C(=O)N(C)C)CC3)cc2)o1 ZINC000215044549 241103575 /nfs/dbraw/zinc/10/35/75/241103575.db2.gz YLTVELFVVKKDPZ-UHFFFAOYSA-N 1 1 327.428 3.054 50 0 EGAAMO CN(Cc1cccc(OCc2ccccn2)c1)C[C@]1(C)CC[N@@H+](C)C1 ZINC000216131976 241169073 /nfs/dbraw/zinc/16/90/73/241169073.db2.gz NWWJFBYEANCYKY-OAQYLSRUSA-N 1 1 339.483 3.434 50 0 EGAAMO CN1CC[C@@](C)(C[N@H+](C)Cc2cccc(OCc3ccccn3)c2)C1 ZINC000216131976 241169099 /nfs/dbraw/zinc/16/90/99/241169099.db2.gz NWWJFBYEANCYKY-OAQYLSRUSA-N 1 1 339.483 3.434 50 0 EGAAMO CN1CC[C@@](C)(C[N@@H+](C)Cc2cccc(OCc3ccccn3)c2)C1 ZINC000216131976 241169105 /nfs/dbraw/zinc/16/91/05/241169105.db2.gz NWWJFBYEANCYKY-OAQYLSRUSA-N 1 1 339.483 3.434 50 0 EGAAMO CCn1ccc2c1cccc2C[N@@H+]1Cc2ccccc2C[C@@H]1C(N)=O ZINC000216223596 241174680 /nfs/dbraw/zinc/17/46/80/241174680.db2.gz BEEHVXRUQDURAB-HXUWFJFHSA-N 1 1 333.435 3.073 50 0 EGAAMO CCn1ccc2c1cccc2C[N@H+]1Cc2ccccc2C[C@@H]1C(N)=O ZINC000216223596 241174684 /nfs/dbraw/zinc/17/46/84/241174684.db2.gz BEEHVXRUQDURAB-HXUWFJFHSA-N 1 1 333.435 3.073 50 0 EGAAMO CCSc1ncc(C[N@@H+](C)Cc2cccc(-n3cccn3)c2)cn1 ZINC000216259053 241176784 /nfs/dbraw/zinc/17/67/84/241176784.db2.gz JQGBHSYFCWSRPV-UHFFFAOYSA-N 1 1 339.468 3.406 50 0 EGAAMO O=C(c1ccccn1)[C@H]1CCC[N@@H+](Cc2cc3ccccc3[nH]c2=O)C1 ZINC000216427391 241190607 /nfs/dbraw/zinc/19/06/07/241190607.db2.gz RSRZWIOBVBJBTI-INIZCTEOSA-N 1 1 347.418 3.018 50 0 EGAAMO CC(C)[N@@H+]1CC[C@H](CN2CCC(O)(c3ccc(Cl)cc3)CC2)C1 ZINC000244758131 243074819 /nfs/dbraw/zinc/07/48/19/243074819.db2.gz OSWHYCPUVFPDGS-MRXNPFEDSA-N 1 1 336.907 3.354 50 0 EGAAMO CC(C)[N@H+]1CC[C@H](CN2CCC(O)(c3ccc(Cl)cc3)CC2)C1 ZINC000244758131 243074823 /nfs/dbraw/zinc/07/48/23/243074823.db2.gz OSWHYCPUVFPDGS-MRXNPFEDSA-N 1 1 336.907 3.354 50 0 EGAAMO CC[C@H](c1ccccn1)[N@@H+](C)CCN1CCN(c2ccccc2)CC1 ZINC000244748593 243077001 /nfs/dbraw/zinc/07/70/01/243077001.db2.gz OKNBXCQVYKUSGO-OAQYLSRUSA-N 1 1 338.499 3.287 50 0 EGAAMO CCCOc1ccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000020512076 212142308 /nfs/dbraw/zinc/14/23/08/212142308.db2.gz BZDKWFDLVKUQKF-UHFFFAOYSA-N 1 1 338.451 3.433 50 0 EGAAMO CCc1nc2c3ccccc3oc2c(NCCC[NH+]2CCOCC2)n1 ZINC000020393418 212124588 /nfs/dbraw/zinc/12/45/88/212124588.db2.gz GOGQENSDSSMFKU-UHFFFAOYSA-N 1 1 340.427 3.073 50 0 EGAAMO COc1ccc(C[N@H+]2CCC[C@H](c3n[nH]cc3C)C2)c(OC)c1OC ZINC000020109547 212101948 /nfs/dbraw/zinc/10/19/48/212101948.db2.gz ONOFBWYTZFCIRJ-AWEZNQCLSA-N 1 1 345.443 3.124 50 0 EGAAMO Fc1cccc(NC(=S)N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000019884879 212080228 /nfs/dbraw/zinc/08/02/28/212080228.db2.gz VYOGLMVOBYEAHR-UHFFFAOYSA-N 1 1 329.444 3.340 50 0 EGAAMO O=C(c1ccc(F)cc1)N1CC[NH+](Cc2c[nH]c3ccccc23)CC1 ZINC000019880248 212078945 /nfs/dbraw/zinc/07/89/45/212078945.db2.gz AANVFKQNEKJSJD-UHFFFAOYSA-N 1 1 337.398 3.265 50 0 EGAAMO C[N@H+]1CCC[C@H]1CCn1ccc(-c2cccc(-c3cnccn3)c2)n1 ZINC000019790710 212068305 /nfs/dbraw/zinc/06/83/05/212068305.db2.gz QJUXLNTZRZUOOT-SFHVURJKSA-N 1 1 333.439 3.491 50 0 EGAAMO Cn1ccc2ccc(C(=O)N3CC[NH+](Cc4ccccc4)CC3)cc21 ZINC000040266477 213284989 /nfs/dbraw/zinc/28/49/89/213284989.db2.gz ALIINNQNCZCHPG-UHFFFAOYSA-N 1 1 333.435 3.136 50 0 EGAAMO C[NH+]1CCN(C(=O)c2cc(-c3ccccc3)nc3ccccc32)CC1 ZINC000019720474 212057595 /nfs/dbraw/zinc/05/75/95/212057595.db2.gz XCLDAWLSNSXIJG-UHFFFAOYSA-N 1 1 331.419 3.289 50 0 EGAAMO CCn1nc(C)cc1C(=O)N[C@@H]1CCC[N@H+](C2CCCCCC2)C1 ZINC000012478039 211391761 /nfs/dbraw/zinc/39/17/61/211391761.db2.gz ZJJIOZMMTKXEPW-MRXNPFEDSA-N 1 1 332.492 3.128 50 0 EGAAMO COc1ccc(-c2n[nH]cc2C[N@H+](C)Cc2cc(C)no2)c(OC)c1 ZINC000012306211 211340568 /nfs/dbraw/zinc/34/05/68/211340568.db2.gz WJURLOKNNLPGQS-UHFFFAOYSA-N 1 1 342.399 3.022 50 0 EGAAMO COc1ccc(-c2n[nH]cc2C[N@@H+](C)Cc2cc(C)no2)c(OC)c1 ZINC000012306211 211340572 /nfs/dbraw/zinc/34/05/72/211340572.db2.gz WJURLOKNNLPGQS-UHFFFAOYSA-N 1 1 342.399 3.022 50 0 EGAAMO O=C1CC[N@H+](CCCc2ccccc2)CCN1Cc1ccccc1F ZINC000012218661 211322806 /nfs/dbraw/zinc/32/28/06/211322806.db2.gz JHZGVMGHEVDKEP-UHFFFAOYSA-N 1 1 340.442 3.493 50 0 EGAAMO Cc1cc(C)n(CCC(=O)N[C@H]2CCC[N@H+](C3CCCCCC3)C2)n1 ZINC000012075968 211286420 /nfs/dbraw/zinc/28/64/20/211286420.db2.gz OGZRXIVFDAVERV-SFHVURJKSA-N 1 1 346.519 3.193 50 0 EGAAMO OCCC[C@H]1CCC[N@@H+](Cc2nc(-c3cccc(Cl)c3)no2)C1 ZINC000012019937 211279270 /nfs/dbraw/zinc/27/92/70/211279270.db2.gz ZRRRRNAQGMMURP-CYBMUJFWSA-N 1 1 335.835 3.375 50 0 EGAAMO OC[C@@]1(Cc2ccc(F)cc2F)CCC[N@H+](C2CCSCC2)C1 ZINC000012001991 211277424 /nfs/dbraw/zinc/27/74/24/211277424.db2.gz VHNVRTFFEMGIGK-GOSISDBHSA-N 1 1 341.467 3.477 50 0 EGAAMO CCn1cc(C[N@H+]2CCC[C@H](C(=O)c3cccc(OC)c3)C2)c(C)n1 ZINC000011951935 211273559 /nfs/dbraw/zinc/27/35/59/211273559.db2.gz HOXQPKMFMSGWKJ-KRWDZBQOSA-N 1 1 341.455 3.315 50 0 EGAAMO CCOC(=O)[C@@]1(Cc2ccccc2)CCC[N@@H+](Cc2cccnc2)C1 ZINC000011937711 211272196 /nfs/dbraw/zinc/27/21/96/211272196.db2.gz CUZYGVILJLAUID-OAQYLSRUSA-N 1 1 338.451 3.470 50 0 EGAAMO O=C1N(C2CCCCC2)CCC[C@@]12CC[N@@H+](Cc1ccncc1)C2 ZINC000091486443 218013131 /nfs/dbraw/zinc/01/31/31/218013131.db2.gz OQUXPOJNKXDTAG-FQEVSTJZSA-N 1 1 327.472 3.229 50 0 EGAAMO CC(C)N1CCC[C@]2(CC[N@@H+](CCCOCc3ccccc3)C2)C1=O ZINC000091620324 218032503 /nfs/dbraw/zinc/03/25/03/218032503.db2.gz PNWGYTOVSSONGK-OAQYLSRUSA-N 1 1 344.499 3.316 50 0 EGAAMO CC(=O)N1CCC([N@H+]2CCC[C@@H](Nc3ccc(C)c(C)c3)C2)CC1 ZINC000011821635 211251701 /nfs/dbraw/zinc/25/17/01/211251701.db2.gz JWWAXMCHRZVNGZ-LJQANCHMSA-N 1 1 329.488 3.191 50 0 EGAAMO c1cn(Cc2cscn2)c(C2CCN(Cc3cscn3)CC2)[nH+]1 ZINC000091563061 218022810 /nfs/dbraw/zinc/02/28/10/218022810.db2.gz YAWHKPOUYNOZLU-UHFFFAOYSA-N 1 1 345.497 3.224 50 0 EGAAMO COCC[NH+]1CCC(CN(Cc2ccoc2)Cc2ccncc2)CC1 ZINC000011816927 211249837 /nfs/dbraw/zinc/24/98/37/211249837.db2.gz SUMJFNVVYJIOSQ-UHFFFAOYSA-N 1 1 343.471 3.035 50 0 EGAAMO c1ccc(C2(c3ccccc3)CCC[N@H+](C[C@H]3COCCO3)C2)cc1 ZINC000091655822 218041246 /nfs/dbraw/zinc/04/12/46/218041246.db2.gz CRDOBPRLVFBCJJ-NRFANRHFSA-N 1 1 337.463 3.484 50 0 EGAAMO Cc1cccc(Cl)c1OCCNC(=O)CC[C@@H]1CCC[N@H+](C)C1 ZINC000091664322 218043175 /nfs/dbraw/zinc/04/31/75/218043175.db2.gz JZUABLCARHEPPK-HNNXBMFYSA-N 1 1 338.879 3.265 50 0 EGAAMO COCCN(Cc1ccccc1C)C(=O)CC[C@H]1CCC[N@@H+](C)C1 ZINC000091663960 218043289 /nfs/dbraw/zinc/04/32/89/218043289.db2.gz LSLKXRNHBAPIGC-GOSISDBHSA-N 1 1 332.488 3.092 50 0 EGAAMO Cc1oc(C(C)C)cc1C(=O)N1CCCC[C@@H]1CC[NH+]1CCOCC1 ZINC000091664745 218043707 /nfs/dbraw/zinc/04/37/07/218043707.db2.gz VPWLWUFKQFZRIP-QGZVFWFLSA-N 1 1 348.487 3.428 50 0 EGAAMO Cc1ccc(-n2ncc3c2CCC[C@H]3Nc2cc(N)[nH+]cn2)cc1C ZINC000091807000 218068390 /nfs/dbraw/zinc/06/83/90/218068390.db2.gz XOHSFKHNBQSWJO-MRXNPFEDSA-N 1 1 334.427 3.351 50 0 EGAAMO O=C(/C=C/c1cccnc1)N[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000011667947 211234522 /nfs/dbraw/zinc/23/45/22/211234522.db2.gz KDXVINCQQXMHRR-QZEKMECESA-N 1 1 339.414 3.015 50 0 EGAAMO O=C(/C=C/c1cccnc1)N[C@@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000011667947 211234527 /nfs/dbraw/zinc/23/45/27/211234527.db2.gz KDXVINCQQXMHRR-QZEKMECESA-N 1 1 339.414 3.015 50 0 EGAAMO CCCc1nc(N2CCC3(CCC(=O)N(C4CC4)C3)CC2)cc(C)[nH+]1 ZINC000091907833 218087470 /nfs/dbraw/zinc/08/74/70/218087470.db2.gz RETFLVZWFLYWAT-UHFFFAOYSA-N 1 1 342.487 3.109 50 0 EGAAMO c1ccc(C[N@H+]2C[C@H]3CC[C@@H]2CN(Cc2cccc4nonc42)C3)cc1 ZINC000095358000 218292398 /nfs/dbraw/zinc/29/23/98/218292398.db2.gz FKDJOEFLVXEYNH-PKOBYXMFSA-N 1 1 348.450 3.319 50 0 EGAAMO c1ccc(CN2C[C@H]3CC[C@@H]2C[N@H+](Cc2cccc4nonc42)C3)cc1 ZINC000095358000 218292401 /nfs/dbraw/zinc/29/24/01/218292401.db2.gz FKDJOEFLVXEYNH-PKOBYXMFSA-N 1 1 348.450 3.319 50 0 EGAAMO c1ccc(CN2C[C@H]3CC[C@@H]2C[N@@H+](Cc2cccc4nonc42)C3)cc1 ZINC000095358000 218292404 /nfs/dbraw/zinc/29/24/04/218292404.db2.gz FKDJOEFLVXEYNH-PKOBYXMFSA-N 1 1 348.450 3.319 50 0 EGAAMO Cc1cccc(C(=O)N2C[C@H]3CC[C@H](C[N@@H+]3Cc3ccccc3)C2)n1 ZINC000095375849 218308577 /nfs/dbraw/zinc/30/85/77/218308577.db2.gz VDGWBQBPSKYSBC-RTBURBONSA-N 1 1 335.451 3.127 50 0 EGAAMO CC(C)n1ccnc1[C@H]1CCC[N@@H+](CCC(=O)NC2CCCCC2)C1 ZINC000095378423 218311421 /nfs/dbraw/zinc/31/14/21/218311421.db2.gz UNXGXRAIWWJAAN-KRWDZBQOSA-N 1 1 346.519 3.482 50 0 EGAAMO CC(C)=CC[N@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1n[nH]c3ccccc31)C2 ZINC000095391349 218323037 /nfs/dbraw/zinc/32/30/37/218323037.db2.gz JBQZRTRGQNAESK-HZPDHXFCSA-N 1 1 338.455 3.066 50 0 EGAAMO CC(C)=CC[N@@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1[nH]nc3ccccc31)C2 ZINC000095391349 218323039 /nfs/dbraw/zinc/32/30/39/218323039.db2.gz JBQZRTRGQNAESK-HZPDHXFCSA-N 1 1 338.455 3.066 50 0 EGAAMO CC(C)=CC[N@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1[nH]nc3ccccc31)C2 ZINC000095391349 218323040 /nfs/dbraw/zinc/32/30/40/218323040.db2.gz JBQZRTRGQNAESK-HZPDHXFCSA-N 1 1 338.455 3.066 50 0 EGAAMO Fc1cccc(-n2cc(C[NH+]3CC(c4nc5ccccc5[nH]4)C3)cn2)c1 ZINC000097402348 219022017 /nfs/dbraw/zinc/02/20/17/219022017.db2.gz IDNVSSLJEMXGSH-UHFFFAOYSA-N 1 1 347.397 3.487 50 0 EGAAMO CC(C)Cc1cc(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)on1 ZINC000097514268 219031192 /nfs/dbraw/zinc/03/11/92/219031192.db2.gz IFSUKZUPHNIDEC-HNNXBMFYSA-N 1 1 331.416 3.033 50 0 EGAAMO CCNC(=O)[C@@H]1CC[N@@H+](Cc2ccc(OCc3ccccc3)cc2)C1 ZINC000097601151 219040255 /nfs/dbraw/zinc/04/02/55/219040255.db2.gz PBUTUGJCAAPQFV-LJQANCHMSA-N 1 1 338.451 3.224 50 0 EGAAMO CC1=CC(C)(C)N(C(=O)C[NH+]2CCCCC2)c2cc3c(cc21)OCO3 ZINC000334161127 258015960 /nfs/dbraw/zinc/01/59/60/258015960.db2.gz UISXXBQZIDZUOG-UHFFFAOYSA-N 1 1 342.439 3.430 50 0 EGAAMO CCc1[nH+]ccn1CCNC(=O)Nc1ccc2nc(C)sc2c1 ZINC000299778978 258088267 /nfs/dbraw/zinc/08/82/67/258088267.db2.gz RTNWGTSKWWLJGV-UHFFFAOYSA-N 1 1 329.429 3.185 50 0 EGAAMO CCCC[N@H+]1CCn2nc(CNc3nc(C)nc(C)c3CC)cc2C1 ZINC000299800137 258103558 /nfs/dbraw/zinc/10/35/58/258103558.db2.gz WIDMYQBEAMJNLU-UHFFFAOYSA-N 1 1 342.491 3.080 50 0 EGAAMO Cc1ccccc1CN1CC[NH+](Cc2ccc(-n3ccnc3)cc2)CC1 ZINC000057598760 258061753 /nfs/dbraw/zinc/06/17/53/258061753.db2.gz UEARAADAGHMJCO-UHFFFAOYSA-N 1 1 346.478 3.499 50 0 EGAAMO COc1ccc(C[N@@H+]2CC[C@]3(OC)CC[C@@H](OC)C[C@H]23)c(C)c1C ZINC000299759680 258076936 /nfs/dbraw/zinc/07/69/36/258076936.db2.gz MPIUXTHXUBENBL-YZGWKJHDSA-N 1 1 333.472 3.470 50 0 EGAAMO COc1cccc(C[N@H+]2CCC[C@@]3(C2)c2ccccc2N(C)C3=O)c1 ZINC000072149820 274145414 /nfs/dbraw/zinc/14/54/14/274145414.db2.gz LZAKYYACUUACBZ-OAQYLSRUSA-N 1 1 336.435 3.205 50 0 EGAAMO CCOC(=O)C1CC[NH+](CCOc2cc(C)ccc2Cl)CC1 ZINC000006703587 452973620 /nfs/dbraw/zinc/97/36/20/452973620.db2.gz RYCIKOCLWXXKKU-UHFFFAOYSA-N 1 1 325.836 3.302 50 0 EGAAMO CC[C@H]1[C@H](CO)CC[N@H+]1Cc1cc(-c2ccncc2)ccc1OC ZINC000449428936 310061259 /nfs/dbraw/zinc/06/12/59/310061259.db2.gz UNUQMOJLRZRNNW-HKUYNNGSSA-N 1 1 326.440 3.350 50 0 EGAAMO OC1(c2ccc(Cl)cc2)CCN(CC[N@H+]2C[C@H]3CC[C@@H]2C3)CC1 ZINC000240936852 455265691 /nfs/dbraw/zinc/26/56/91/455265691.db2.gz SEVYURZSLXVLEK-MAUKXSAKSA-N 1 1 334.891 3.108 50 0 EGAAMO c1ccc(C2=NO[C@H](CN3CCC[N@H+](C4CCCC4)CC3)C2)cc1 ZINC000243893645 455273628 /nfs/dbraw/zinc/27/36/28/455273628.db2.gz ASYHSUCWYXFYJU-IBGZPJMESA-N 1 1 327.472 3.130 50 0 EGAAMO CC[C@]12CCC[N@H+]3CC[C@@]4(c5ccccc5NC4=C(C(=O)OC)C1)[C@@H]32 ZINC000000525687 452614150 /nfs/dbraw/zinc/61/41/50/452614150.db2.gz GIGFIWJRTMBSRP-ACRUOGEOSA-N 1 1 338.451 3.445 50 0 biogenic EGAAMO CC[N@H+]1CCC[C@H]1CNc1ncnc2c3cc(OC)ccc3[nH]c21 ZINC000000539022 452618905 /nfs/dbraw/zinc/61/89/05/452618905.db2.gz FGELTPHDICPODX-LBPRGKRZSA-N 1 1 325.416 3.016 50 0 EGAAMO CC[C@H]1C[N@H+]2CC[C@@H]1C[C@@H]2[C@@H](O)c1ccnc2ccc(OC)cc21 ZINC000003977898 452788477 /nfs/dbraw/zinc/78/84/77/452788477.db2.gz LJOQGZACKSYWCH-SMHQJORMSA-N 1 1 326.440 3.397 50 0 world EGAAMO CCCC(=O)Nc1ccc2c(c1)nc(CCn1cc[nH+]c1C)n2C ZINC000006665052 452967688 /nfs/dbraw/zinc/96/76/88/452967688.db2.gz BEQCPLNLURSVRR-UHFFFAOYSA-N 1 1 325.416 3.060 50 0 EGAAMO CC(=O)CCC(=O)N(C)C[C@@H]1CCC[N@@H+](CCc2ccccc2C)C1 ZINC000012572882 453375604 /nfs/dbraw/zinc/37/56/04/453375604.db2.gz PJAGYRPZIMUDAJ-IBGZPJMESA-N 1 1 344.499 3.077 50 0 EGAAMO CC(C)CC[C@@]1(CC(=O)N2CC[NH+](C)CC2)CCO[C@H](C(C)C)C1 ZINC000013550978 453470992 /nfs/dbraw/zinc/47/09/92/453470992.db2.gz GJWCMTGDMBVCMD-AZUAARDMSA-N 1 1 338.536 3.408 50 0 EGAAMO CCCCS(=O)(=O)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000014239804 453524946 /nfs/dbraw/zinc/52/49/46/453524946.db2.gz ZEDSIHVKHJMDGA-UHFFFAOYSA-N 1 1 346.496 3.087 50 0 EGAAMO COc1cccc(CC[C@H]2CCC[N@H+](C3CCN(C(C)=O)CC3)C2)c1 ZINC000015064796 453552826 /nfs/dbraw/zinc/55/28/26/453552826.db2.gz FEFDSDZKJUYBMY-LJQANCHMSA-N 1 1 344.499 3.351 50 0 EGAAMO CCOC(=O)[C@@H]1CCC[N@@H+](CCCCOc2ccc(C)cc2OC)C1 ZINC000016527062 453611091 /nfs/dbraw/zinc/61/10/91/453611091.db2.gz MYSIEIRLSUKPNS-QGZVFWFLSA-N 1 1 349.471 3.438 50 0 EGAAMO CCCOc1ccc(N2C(=O)C[C@H]([N@H+]3CCCC[C@@H]3CC)C2=O)cc1 ZINC000018323717 453650285 /nfs/dbraw/zinc/65/02/85/453650285.db2.gz KJISFIHAFDNXCG-YJBOKZPZSA-N 1 1 344.455 3.372 50 0 EGAAMO COc1ccc(C[N@@H+](Cc2ccc(F)cc2)C[C@H]2CCCO2)cn1 ZINC000055370013 453978460 /nfs/dbraw/zinc/97/84/60/453978460.db2.gz NRKIZKKWZRICOI-GOSISDBHSA-N 1 1 330.403 3.411 50 0 EGAAMO COc1ccc(C[N@H+](Cc2ccc(F)cc2)C[C@H]2CCCO2)cn1 ZINC000055370013 453978467 /nfs/dbraw/zinc/97/84/67/453978467.db2.gz NRKIZKKWZRICOI-GOSISDBHSA-N 1 1 330.403 3.411 50 0 EGAAMO COc1ccc2c(C)cc(N3C[C@@H](C(C)C)[C@H](NC(C)=O)C3)[nH+]c2c1 ZINC000077353718 454095873 /nfs/dbraw/zinc/09/58/73/454095873.db2.gz YJWBWYIFKRPUMA-PKOBYXMFSA-N 1 1 341.455 3.149 50 0 EGAAMO Cc1nc(C[N@H+]2CCC[C@]3(CCC(=O)N(CCC(C)C)C3)C2)co1 ZINC000077405974 454102263 /nfs/dbraw/zinc/10/22/63/454102263.db2.gz ODVDGKGBPSGIGS-IBGZPJMESA-N 1 1 333.476 3.234 50 0 EGAAMO Cc1nc(C[N@@H+]2CCC[C@]3(CCC(=O)N(CCC(C)C)C3)C2)co1 ZINC000077405974 454102267 /nfs/dbraw/zinc/10/22/67/454102267.db2.gz ODVDGKGBPSGIGS-IBGZPJMESA-N 1 1 333.476 3.234 50 0 EGAAMO Cc1nccn1CC[C@H]1CCCC[N@@H+]1Cc1ccc(N(C)C)nc1 ZINC000077505835 454115489 /nfs/dbraw/zinc/11/54/89/454115489.db2.gz NPXDSLAKLSAYRM-GOSISDBHSA-N 1 1 327.476 3.097 50 0 EGAAMO CC(C)[C@@H]1C[N@H+](Cc2cccc(F)c2F)CCC(=O)N1CC1CC1 ZINC000071661972 454210265 /nfs/dbraw/zinc/21/02/65/454210265.db2.gz ZNTFDUFKAYLQTI-KRWDZBQOSA-N 1 1 336.426 3.434 50 0 EGAAMO CC(C)[C@@H]1C[N@@H+](Cc2cccc(F)c2F)CCC(=O)N1CC1CC1 ZINC000071661972 454210270 /nfs/dbraw/zinc/21/02/70/454210270.db2.gz ZNTFDUFKAYLQTI-KRWDZBQOSA-N 1 1 336.426 3.434 50 0 EGAAMO CC(C)[C@H]1CN(C(=O)c2n[nH]c3ccccc32)CCC[N@H+]1CC1CC1 ZINC000071746102 454212341 /nfs/dbraw/zinc/21/23/41/454212341.db2.gz ZQOBJCWGHVQSPA-GOSISDBHSA-N 1 1 340.471 3.145 50 0 EGAAMO CC(C)[C@H]1CN(C(=O)c2[nH]nc3ccccc32)CCC[N@@H+]1CC1CC1 ZINC000071746102 454212344 /nfs/dbraw/zinc/21/23/44/454212344.db2.gz ZQOBJCWGHVQSPA-GOSISDBHSA-N 1 1 340.471 3.145 50 0 EGAAMO CC(C)[C@H]1CN(C(=O)c2[nH]nc3ccccc32)CCC[N@H+]1CC1CC1 ZINC000071746102 454212348 /nfs/dbraw/zinc/21/23/48/454212348.db2.gz ZQOBJCWGHVQSPA-GOSISDBHSA-N 1 1 340.471 3.145 50 0 EGAAMO CC(C)[C@@H]1C[N@H+](Cc2cccc(Cl)n2)CCC(=O)N1CC1CC1 ZINC000071771382 454216441 /nfs/dbraw/zinc/21/64/41/454216441.db2.gz RUZVBJQETCSWIG-INIZCTEOSA-N 1 1 335.879 3.204 50 0 EGAAMO CC(C)[C@@H]1C[N@@H+](Cc2cccc(Cl)n2)CCC(=O)N1CC1CC1 ZINC000071771382 454216446 /nfs/dbraw/zinc/21/64/46/454216446.db2.gz RUZVBJQETCSWIG-INIZCTEOSA-N 1 1 335.879 3.204 50 0 EGAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1cc(C(C)C)nn1-c1ccccc1 ZINC000095473109 454219619 /nfs/dbraw/zinc/21/96/19/454219619.db2.gz WPTINIYUVHXKRJ-QGZVFWFLSA-N 1 1 340.471 3.210 50 0 EGAAMO COc1cc2c(cc1CNC(=O)[C@@H](C)n1cc[nH+]c1C(C)C)CCC2 ZINC000095497944 454220654 /nfs/dbraw/zinc/22/06/54/454220654.db2.gz QOKHTZUFDWOBGC-CQSZACIVSA-N 1 1 341.455 3.381 50 0 EGAAMO CCc1[nH+]ccn1CCNC(=O)c1c(C)c(C)nc2ccc(C)cc21 ZINC000095508246 454223840 /nfs/dbraw/zinc/22/38/40/454223840.db2.gz FUJHPJHOMWTNIM-UHFFFAOYSA-N 1 1 336.439 3.349 50 0 EGAAMO C[N@@H+](CCc1noc(C2CC2)n1)C[C@@H]1CCOc2ccccc2C1 ZINC000095511331 454225127 /nfs/dbraw/zinc/22/51/27/454225127.db2.gz UADYMIYRTNSDSD-CQSZACIVSA-N 1 1 327.428 3.063 50 0 EGAAMO Cc1nn(C)c2nc(N[C@H]3CC[N@@H+](Cc4ccccc4)C3)sc12 ZINC000095527890 454228576 /nfs/dbraw/zinc/22/85/76/454228576.db2.gz QXVDXLAWFZJDLB-AWEZNQCLSA-N 1 1 327.457 3.025 50 0 EGAAMO Fc1ccc(C[N@H+]2CCC[C@]3(CCN(c4ncccn4)C3)C2)cc1 ZINC000072127354 454273042 /nfs/dbraw/zinc/27/30/42/454273042.db2.gz SGXLRYLGLGTKGR-IBGZPJMESA-N 1 1 326.419 3.108 50 0 EGAAMO Cc1c2cc(Cl)ccc2[nH]c1C(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000096148916 454292481 /nfs/dbraw/zinc/29/24/81/454292481.db2.gz VJHSYUMIJXZMLH-CQSZACIVSA-N 1 1 331.847 3.440 50 0 EGAAMO Cc1c2cc(Cl)ccc2[nH]c1C(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000096148916 454292486 /nfs/dbraw/zinc/29/24/86/454292486.db2.gz VJHSYUMIJXZMLH-CQSZACIVSA-N 1 1 331.847 3.440 50 0 EGAAMO CCCCn1nc(-c2ccc(C)o2)nc1[C@H](C)C[NH+]1CCOCC1 ZINC000096153503 454294750 /nfs/dbraw/zinc/29/47/50/454294750.db2.gz HACHQJQWVQTQCP-CQSZACIVSA-N 1 1 332.448 3.082 50 0 EGAAMO COc1ccc(C[NH+]2CCC(NC(=O)OC(C)(C)C)CC2)cc1F ZINC000047539413 454383416 /nfs/dbraw/zinc/38/34/16/454383416.db2.gz XTNBPBZRSGMYQC-UHFFFAOYSA-N 1 1 338.423 3.323 50 0 EGAAMO O[C@H](C[NH+]1CCOCC1)c1ccc(-c2ccc(-c3cc[nH]n3)cc2)cc1 ZINC000065386358 454557943 /nfs/dbraw/zinc/55/79/43/454557943.db2.gz ZOHKMTXLQDPWQG-OAQYLSRUSA-N 1 1 349.434 3.109 50 0 EGAAMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)Cc2ccccc2C(F)(F)F)C1 ZINC000161640927 454710279 /nfs/dbraw/zinc/71/02/79/454710279.db2.gz MFTCNOYOWBNQKK-AWEZNQCLSA-N 1 1 342.405 3.342 50 0 EGAAMO C[NH+]1CCN(C(=O)N2CCCC[C@H](c3ccc(Cl)cc3)C2)CC1 ZINC000206881963 456018090 /nfs/dbraw/zinc/01/80/90/456018090.db2.gz VIBCWYYEADHQOB-INIZCTEOSA-N 1 1 335.879 3.277 50 0 EGAAMO CCn1ccc2c1cccc2C[N@@H+](CCOC)C1CCN(C)CC1 ZINC000222873365 456051855 /nfs/dbraw/zinc/05/18/55/456051855.db2.gz AHCWVGAQYZPYRX-UHFFFAOYSA-N 1 1 329.488 3.204 50 0 EGAAMO Cc1ccc([C@H](C(=O)N(Cc2nccs2)C2CC2)[NH+](C)C)cc1 ZINC000223632707 456058671 /nfs/dbraw/zinc/05/86/71/456058671.db2.gz AJAUCFBJBDZRBN-QGZVFWFLSA-N 1 1 329.469 3.245 50 0 EGAAMO CCN1CC[NH+](CCCOc2cc(Br)ccc2C)CC1 ZINC000230533343 456138915 /nfs/dbraw/zinc/13/89/15/456138915.db2.gz NLPLPFKCYFLPSK-UHFFFAOYSA-N 1 1 341.293 3.164 50 0 EGAAMO Cc1ccc(CCNC(=O)N(C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000426372545 457813709 /nfs/dbraw/zinc/81/37/09/457813709.db2.gz YPQPDLCVDAWGNE-SFHVURJKSA-N 1 1 341.455 3.046 50 0 EGAAMO Cc1ccc2c(c1)C[N@H+](C[C@@H](O)Cc1cccc(Cl)c1)CCO2 ZINC000558110665 459132182 /nfs/dbraw/zinc/13/21/82/459132182.db2.gz QSIQBYQCLVKAGI-SFHVURJKSA-N 1 1 331.843 3.446 50 0 EGAAMO O=C(NCc1ccc(Cl)cc1)N[C@@H]1CC[N@@H+](Cc2ccsc2)C1 ZINC000585150060 459830925 /nfs/dbraw/zinc/83/09/25/459830925.db2.gz PGZCWDGGWWTTMW-MRXNPFEDSA-N 1 1 349.887 3.475 50 0 EGAAMO C[C@@H](NC(=O)C[N@H+]1CCCN(c2ccccc2)CC1)c1ccccc1 ZINC000613567009 460998656 /nfs/dbraw/zinc/99/86/56/460998656.db2.gz LIPHBCQFUFDKEN-GOSISDBHSA-N 1 1 337.467 3.076 50 0 EGAAMO Cc1[nH]c(C)c(-c2cccc(C(=O)NCCCNc3cccnc3)c2)[nH+]1 ZINC000584887164 548099182 /nfs/dbraw/zinc/09/91/82/548099182.db2.gz KLQQHVIXODVNHN-UHFFFAOYSA-N 1 1 349.438 3.321 50 0 EGAAMO CCc1oc(C(N)=O)cc1C[NH+]1CCC(Oc2ccc(C)cc2)CC1 ZINC000670445171 548217017 /nfs/dbraw/zinc/21/70/17/548217017.db2.gz GLCUOZXJJMBKOK-UHFFFAOYSA-N 1 1 342.439 3.293 50 0 EGAAMO C[N@H+](Cc1cccc2c3ccccc3oc21)[C@@H]1CCS(=O)(=O)C1 ZINC000670472834 548221021 /nfs/dbraw/zinc/22/10/21/548221021.db2.gz UPUYVKNQSYDDAC-CQSZACIVSA-N 1 1 329.421 3.205 50 0 EGAAMO C[N@@H+](Cc1cccc2c3ccccc3oc21)[C@@H]1CCS(=O)(=O)C1 ZINC000670472834 548221024 /nfs/dbraw/zinc/22/10/24/548221024.db2.gz UPUYVKNQSYDDAC-CQSZACIVSA-N 1 1 329.421 3.205 50 0 EGAAMO Cc1ccoc1C(=O)Nc1ccc(NC(=O)C[NH+]2CCCCC2)cc1 ZINC000828057203 1292424350 /nfs/dbraw/zinc/42/43/50/1292424350.db2.gz OSZDIPDHYSESBG-UHFFFAOYSA-N 1 1 341.411 3.265 50 0 EGAAMO CC(C)N1CCC[C@]2(CC[N@@H+](Cc3cncn3C3CCCC3)C2)C1=O ZINC000091931969 1292850765 /nfs/dbraw/zinc/85/07/65/1292850765.db2.gz DEMYSVKFALCGQF-HXUWFJFHSA-N 1 1 344.503 3.221 50 0 EGAAMO Cc1cc(C)cc(-c2nn3c(nnc3[C@H]3CCC[N@H+](C)C3)s2)c1 ZINC000823771455 1320205576 /nfs/dbraw/zinc/20/55/76/1320205576.db2.gz LAZNZSCKHBMLMK-ZDUSSCGKSA-N 1 1 327.457 3.279 50 0 EGAAMO Cc1ccsc1C[N@H+]1CCC[C@@H](CNC(=O)c2cncc(F)c2)C1 ZINC000826630302 1320392594 /nfs/dbraw/zinc/39/25/94/1320392594.db2.gz KSWYXSLTNQHHTQ-AWEZNQCLSA-N 1 1 347.459 3.233 50 0 EGAAMO CC1(C)[C@@H]2C[C@H]1C(C[N@H+](Cc1ccncc1)C[C@@H]1CCC(=O)N1)=CC2 ZINC000952860045 1334583326 /nfs/dbraw/zinc/58/33/26/1334583326.db2.gz AVRMKHZAUMNJTE-FHWLQOOXSA-N 1 1 339.483 3.155 50 0 EGAAMO CC[C@H](C)C(=O)Nc1ccccc1C(=O)NCC(C)(C)[N@@H+](C)CC ZINC000952971272 1334627526 /nfs/dbraw/zinc/62/75/26/1334627526.db2.gz CYGUYWZCOFAGCA-AWEZNQCLSA-N 1 1 333.476 3.131 50 0 EGAAMO COc1ncc(CN[C@H](c2nc3ccc(C)cc3[nH]2)C(C)C)cn1 ZINC000952973492 1334627805 /nfs/dbraw/zinc/62/78/05/1334627805.db2.gz CWIOFKCXBBFVFQ-INIZCTEOSA-N 1 1 325.416 3.157 50 0 EGAAMO COc1ncc(C[NH2+][C@H](c2nc3cc(C)ccc3[nH]2)C(C)C)cn1 ZINC000952973492 1334627808 /nfs/dbraw/zinc/62/78/08/1334627808.db2.gz CWIOFKCXBBFVFQ-INIZCTEOSA-N 1 1 325.416 3.157 50 0 EGAAMO COc1ncc(C[NH2+][C@H](c2nc3ccc(C)cc3[nH]2)C(C)C)cn1 ZINC000952973492 1334627811 /nfs/dbraw/zinc/62/78/11/1334627811.db2.gz CWIOFKCXBBFVFQ-INIZCTEOSA-N 1 1 325.416 3.157 50 0 EGAAMO Cc1nn(C)c(Cl)c1CNCC[N@H+]1CC[C@@H](c2ccccc2C)C1 ZINC000952983425 1334629711 /nfs/dbraw/zinc/62/97/11/1334629711.db2.gz DWDLEWLHYXDGMZ-MRXNPFEDSA-N 1 1 346.906 3.269 50 0 EGAAMO Cc1nn(C)c(Cl)c1C[NH2+]CCN1CC[C@@H](c2ccccc2C)C1 ZINC000952983425 1334629714 /nfs/dbraw/zinc/62/97/14/1334629714.db2.gz DWDLEWLHYXDGMZ-MRXNPFEDSA-N 1 1 346.906 3.269 50 0 EGAAMO CCCCc1nc(Cl)c(C[NH2+]Cc2ccc3[nH]c(=O)[nH]c3c2)[nH]1 ZINC000952982253 1334630142 /nfs/dbraw/zinc/63/01/42/1334630142.db2.gz NYBYEKSMEAPIKZ-UHFFFAOYSA-N 1 1 333.823 3.277 50 0 EGAAMO Cc1nn(-c2ccccc2)c(C)c1C[N@H+](C)[C@@H]1C[C@@H]2C[C@H](O)C[C@@H]2C1 ZINC001704280481 1416419550 /nfs/dbraw/zinc/41/95/50/1416419550.db2.gz FGYIVSQWZVIWEN-TZRIAGMCSA-N 1 1 339.483 3.470 50 0 EGAAMO Cc1cc(C[C@@H]2C[N@@H+](Cc3ccc(C)c4ccccc34)C[C@H]2O)on1 ZINC001704325421 1416444774 /nfs/dbraw/zinc/44/47/74/1416444774.db2.gz JMSPCTYNSWIVPY-DYESRHJHSA-N 1 1 336.435 3.480 50 0 EGAAMO Cc1ccc(NC(=O)C[N@H+]2CCCC[C@H]2CCc2ccccn2)nc1 ZINC001704357668 1416455075 /nfs/dbraw/zinc/45/50/75/1416455075.db2.gz VMSSULLIASHMEH-SFHVURJKSA-N 1 1 338.455 3.211 50 0 EGAAMO CC[N@H+]1CCCC[C@@H]1CNc1nnc(CSc2ccncc2)o1 ZINC001772808105 1441417404 /nfs/dbraw/zinc/41/74/04/1441417404.db2.gz ZFTNAXKUQVRAOM-CYBMUJFWSA-N 1 1 333.461 3.043 50 0 EGAAMO CC[C@H](CO)[N@@H+](Cc1ccsc1)Cc1c2ccccc2nn1C ZINC000055414456 214322137 /nfs/dbraw/zinc/32/21/37/214322137.db2.gz YLGGIGUBJKTQES-OAHLLOKOSA-N 1 1 329.469 3.408 50 0 EGAAMO CCc1ccc(OCCOC[C@H](O)C[N@@H+](C)C2CCCCC2)cc1 ZINC000004279158 210159134 /nfs/dbraw/zinc/15/91/34/210159134.db2.gz NHFRKZJOLJSRBO-LJQANCHMSA-N 1 1 335.488 3.270 50 0 EGAAMO CO[C@H]1[C@@H]2CC[C@H]1C[N@H+](Cc1cccc(-n3nc(C)cc3C)c1)C2 ZINC000101833679 219166316 /nfs/dbraw/zinc/16/63/16/219166316.db2.gz KRNFYLFBDAZVAQ-RUYXUALKSA-N 1 1 325.456 3.346 50 0 EGAAMO c1cn(Cc2ccc(-c3cccc(C[NH+]4CCOCC4)c3)cc2)cn1 ZINC000067674140 215178700 /nfs/dbraw/zinc/17/87/00/215178700.db2.gz HBSPWWXPZFXPTN-UHFFFAOYSA-N 1 1 333.435 3.431 50 0 EGAAMO Cc1cccc(NC(=O)NC[C@@H]2CCC[N@H+](Cc3c[nH]cn3)C2)c1C ZINC000067757542 215205064 /nfs/dbraw/zinc/20/50/64/215205064.db2.gz NNMGMKQUFHUDKJ-INIZCTEOSA-N 1 1 341.459 3.060 50 0 EGAAMO Cc1cccc(NC(=O)NC[C@@H]2CCC[N@@H+](Cc3c[nH]cn3)C2)c1C ZINC000067757542 215205066 /nfs/dbraw/zinc/20/50/66/215205066.db2.gz NNMGMKQUFHUDKJ-INIZCTEOSA-N 1 1 341.459 3.060 50 0 EGAAMO Cc1cccc(NC(=O)NC[C@@H]2CCC[N@H+](Cc3cnc[nH]3)C2)c1C ZINC000067757542 215205069 /nfs/dbraw/zinc/20/50/69/215205069.db2.gz NNMGMKQUFHUDKJ-INIZCTEOSA-N 1 1 341.459 3.060 50 0 EGAAMO Cc1ccccc1-c1cc(O)c2c(c1)CN(c1cc[nH+]c(N)n1)CCO2 ZINC000067772560 215209041 /nfs/dbraw/zinc/20/90/41/215209041.db2.gz UHKNEMPFXJRUQR-UHFFFAOYSA-N 1 1 348.406 3.139 50 0 EGAAMO COc1ccc2c(C)nc(N3CC([N@H+]4CCCC[C@H]4C)C3)nc2c1 ZINC000067806003 215218168 /nfs/dbraw/zinc/21/81/68/215218168.db2.gz IIVQFFKDOMWSDQ-CYBMUJFWSA-N 1 1 326.444 3.010 50 0 EGAAMO Cc1ccncc1C(=O)NC[C@@H]1CC[N@@H+](Cc2cc3ccccc3[nH]2)C1 ZINC000067872562 215237758 /nfs/dbraw/zinc/23/77/58/215237758.db2.gz AJVFHWSXWIZNKA-INIZCTEOSA-N 1 1 348.450 3.123 50 0 EGAAMO O[C@@H]1C[N@@H+](Cc2ccc(Cl)cc2)CC[C@H]1c1ccc2c(c1)OCO2 ZINC000067895827 215244443 /nfs/dbraw/zinc/24/44/43/215244443.db2.gz JQOAWOXHBOMSAG-DLBZAZTESA-N 1 1 345.826 3.419 50 0 EGAAMO c1nnc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1C1CCCCC1 ZINC000067910374 215248156 /nfs/dbraw/zinc/24/81/56/215248156.db2.gz YAASRZBTSRPXAI-GOSISDBHSA-N 1 1 339.487 3.147 50 0 EGAAMO c1nnc(C[NH2+][C@@H]2CCN(Cc3ccccc3)C2)n1C1CCCCC1 ZINC000067910374 215248159 /nfs/dbraw/zinc/24/81/59/215248159.db2.gz YAASRZBTSRPXAI-GOSISDBHSA-N 1 1 339.487 3.147 50 0 EGAAMO COc1ccc(-c2nccn2CC[N@H+]2CCCC[C@@H]2CO)c(C)c1C ZINC000072121679 216015186 /nfs/dbraw/zinc/01/51/86/216015186.db2.gz IAXAFMMROXJGPI-QGZVFWFLSA-N 1 1 343.471 3.022 50 0 EGAAMO CN(C)C(=O)C[N@H+]1CCC[C@H](CCc2cccc(C(F)(F)F)c2)C1 ZINC000072135312 216023300 /nfs/dbraw/zinc/02/33/00/216023300.db2.gz AZIXFIIROBUIAV-OAHLLOKOSA-N 1 1 342.405 3.438 50 0 EGAAMO O=C1Nc2ccccc2[C@]12CCC[N@@H+](Cc1ccc(-c3cc[nH]n3)o1)C2 ZINC000072147264 216033528 /nfs/dbraw/zinc/03/35/28/216033528.db2.gz WANGZIVKLVXFPQ-HXUWFJFHSA-N 1 1 348.406 3.156 50 0 EGAAMO COc1ccccc1N1CC[N@@H+](Cc2cccc3nccnc23)[C@@H](C)C1 ZINC000072151795 216039880 /nfs/dbraw/zinc/03/98/80/216039880.db2.gz QURKDMBQQOXCSC-INIZCTEOSA-N 1 1 348.450 3.349 50 0 EGAAMO Cn1c(C[N@@H+]2CCC[C@@H](OCc3cccnc3)C2)nc2ccccc21 ZINC000072153332 216042843 /nfs/dbraw/zinc/04/28/43/216042843.db2.gz NLUCLQOBZHZODL-QGZVFWFLSA-N 1 1 336.439 3.150 50 0 EGAAMO Cn1c(C[N@H+]2CCC[C@@H](OCc3cccnc3)C2)nc2ccccc21 ZINC000072153332 216042846 /nfs/dbraw/zinc/04/28/46/216042846.db2.gz NLUCLQOBZHZODL-QGZVFWFLSA-N 1 1 336.439 3.150 50 0 EGAAMO CCc1ncc(C[N@H+]2CCC[C@H](COc3ccc(F)cc3)C2)cn1 ZINC000072428313 216218724 /nfs/dbraw/zinc/21/87/24/216218724.db2.gz DHRYMTIGUBMQNN-HNNXBMFYSA-N 1 1 329.419 3.469 50 0 EGAAMO CN1C[C@]2(CC[N@@H+](Cc3ccc4c(c3)Cc3ccccc3-4)C2)OC1=O ZINC000072470192 216248873 /nfs/dbraw/zinc/24/88/73/216248873.db2.gz SOJAHYKQLNHTDL-NRFANRHFSA-N 1 1 334.419 3.284 50 0 EGAAMO OCC[C@@H]1CN(Cc2cc(F)ccc2F)CC[N@H+]1Cc1ccccc1 ZINC000023145751 212355872 /nfs/dbraw/zinc/35/58/72/212355872.db2.gz MNTVHNTUDZIHIM-LJQANCHMSA-N 1 1 346.421 3.034 50 0 EGAAMO Cn1ccnc1[C@@H](O)C1CC[NH+](Cc2ccc(F)cc2Cl)CC1 ZINC000214969369 241101195 /nfs/dbraw/zinc/10/11/95/241101195.db2.gz MSHVJYDJKUWBGQ-INIZCTEOSA-N 1 1 337.826 3.158 50 0 EGAAMO Clc1ccc(-c2ncc(CN3CC[N@H+]4CCC[C@@H]4C3)cn2)cc1 ZINC000215121886 241108725 /nfs/dbraw/zinc/10/87/25/241108725.db2.gz YBMBRIKQVFITQK-QGZVFWFLSA-N 1 1 328.847 3.077 50 0 EGAAMO COc1cc2c(cc1C[N@H+](Cc1ccncc1)C1CC1)OCCCO2 ZINC000215237742 241114471 /nfs/dbraw/zinc/11/44/71/241114471.db2.gz ZUWAXVJUIVDSRS-UHFFFAOYSA-N 1 1 340.423 3.416 50 0 EGAAMO COc1cc2c(cc1C[N@@H+](Cc1ccncc1)C1CC1)OCCCO2 ZINC000215237742 241114477 /nfs/dbraw/zinc/11/44/77/241114477.db2.gz ZUWAXVJUIVDSRS-UHFFFAOYSA-N 1 1 340.423 3.416 50 0 EGAAMO CSc1ncc(C[N@H+](C)[C@H](C)c2ccc3c(c2)OCCO3)cn1 ZINC000215260785 241115784 /nfs/dbraw/zinc/11/57/84/241115784.db2.gz CTCHXUFWNNEHHF-GFCCVEGCSA-N 1 1 331.441 3.163 50 0 EGAAMO CSc1ncc(C[N@@H+](C)[C@H](C)c2ccc3c(c2)OCCO3)cn1 ZINC000215260785 241115788 /nfs/dbraw/zinc/11/57/88/241115788.db2.gz CTCHXUFWNNEHHF-GFCCVEGCSA-N 1 1 331.441 3.163 50 0 EGAAMO Cc1nn(-c2ccc(F)cc2)c(C)c1CN1C[C@H]2CC[C@@H]1C[N@@H+](C)C2 ZINC000215702004 241139523 /nfs/dbraw/zinc/13/95/23/241139523.db2.gz QWBMCFYDLHFSSD-QFBILLFUSA-N 1 1 342.462 3.154 50 0 EGAAMO CC(C)=CC[N@H+]1CCN(Cc2c[nH]c3ccccc23)C[C@@H]1CCO ZINC000020996011 212196816 /nfs/dbraw/zinc/19/68/16/212196816.db2.gz NUCGXLZUQVTAJD-SFHVURJKSA-N 1 1 327.472 3.003 50 0 EGAAMO CC(C)=CCN1CC[N@H+](Cc2c[nH]c3ccccc23)C[C@@H]1CCO ZINC000020996011 212196818 /nfs/dbraw/zinc/19/68/18/212196818.db2.gz NUCGXLZUQVTAJD-SFHVURJKSA-N 1 1 327.472 3.003 50 0 EGAAMO CC(C)=CCN1CC[N@@H+](Cc2c[nH]c3ccccc23)C[C@@H]1CCO ZINC000020996011 212196820 /nfs/dbraw/zinc/19/68/20/212196820.db2.gz NUCGXLZUQVTAJD-SFHVURJKSA-N 1 1 327.472 3.003 50 0 EGAAMO O=C(CC[N@H+]1CCC[C@@H](C(=O)c2cccs2)C1)Nc1nccs1 ZINC000243932513 243036644 /nfs/dbraw/zinc/03/66/44/243036644.db2.gz BWRPNHOFUOGWKI-GFCCVEGCSA-N 1 1 349.481 3.128 50 0 EGAAMO O[C@@H](c1ccc(Cl)cc1)[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000020813078 212174098 /nfs/dbraw/zinc/17/40/98/212174098.db2.gz FUDJAHCMDYNXAS-OALUTQOASA-N 1 1 331.843 3.489 50 0 EGAAMO OCC[C@H]1CN(Cc2cccc(F)c2)CC[N@@H+]1Cc1ccc(F)cc1 ZINC000020542480 212146135 /nfs/dbraw/zinc/14/61/35/212146135.db2.gz XXMHDYPCXLGBJI-FQEVSTJZSA-N 1 1 346.421 3.034 50 0 EGAAMO OCC[C@H]1CN(Cc2cccc(F)c2)CC[N@H+]1Cc1ccc(F)cc1 ZINC000020542480 212146137 /nfs/dbraw/zinc/14/61/37/212146137.db2.gz XXMHDYPCXLGBJI-FQEVSTJZSA-N 1 1 346.421 3.034 50 0 EGAAMO OCC[C@H]1C[N@H+](Cc2cccc(F)c2)CCN1Cc1ccc(F)cc1 ZINC000020542480 212146138 /nfs/dbraw/zinc/14/61/38/212146138.db2.gz XXMHDYPCXLGBJI-FQEVSTJZSA-N 1 1 346.421 3.034 50 0 EGAAMO OCC[C@H]1C[N@@H+](Cc2cccc(F)c2)CCN1Cc1ccc(F)cc1 ZINC000020542480 212146142 /nfs/dbraw/zinc/14/61/42/212146142.db2.gz XXMHDYPCXLGBJI-FQEVSTJZSA-N 1 1 346.421 3.034 50 0 EGAAMO Cc1c[nH]c(C[N@H+](Cc2ccc3c(c2)OCO3)C2CC2)c(C)c1=O ZINC000253537428 244017658 /nfs/dbraw/zinc/01/76/58/244017658.db2.gz YAAJAMZCFCVLRF-UHFFFAOYSA-N 1 1 326.396 3.297 50 0 EGAAMO Cc1c[nH]c(C[N@@H+](Cc2ccc3c(c2)OCO3)C2CC2)c(C)c1=O ZINC000253537428 244017663 /nfs/dbraw/zinc/01/76/63/244017663.db2.gz YAAJAMZCFCVLRF-UHFFFAOYSA-N 1 1 326.396 3.297 50 0 EGAAMO CCn1ccc(C(=O)N2CC[NH+](Cc3cccc4ccccc43)CC2)n1 ZINC000020215399 212111993 /nfs/dbraw/zinc/11/19/93/212111993.db2.gz UICSDSHOICNVTF-UHFFFAOYSA-N 1 1 348.450 3.014 50 0 EGAAMO c1c(-c2ccccc2)nc2n1c1ccccc1n2CC[NH+]1CCOCC1 ZINC000019720963 212058104 /nfs/dbraw/zinc/05/81/04/212058104.db2.gz QLHMVYGKWXGVFG-UHFFFAOYSA-N 1 1 346.434 3.288 50 0 EGAAMO CSc1cccc(CN2CC[N@@H+](CC=C(C)C)[C@@H](CCO)C2)c1 ZINC000019595581 212050717 /nfs/dbraw/zinc/05/07/17/212050717.db2.gz ARPDMQUXPBPPIH-SFHVURJKSA-N 1 1 334.529 3.243 50 0 EGAAMO c1cc2c(s1)CC[N@@H+](Cc1c[nH]nc1-c1ccc3c(c1)OCO3)C2 ZINC000019595229 212049896 /nfs/dbraw/zinc/04/98/96/212049896.db2.gz IUROZJMUJIVOKM-UHFFFAOYSA-N 1 1 339.420 3.425 50 0 EGAAMO c1cc2c(s1)CC[N@H+](Cc1c[nH]nc1-c1ccc3c(c1)OCO3)C2 ZINC000019595229 212049899 /nfs/dbraw/zinc/04/98/99/212049899.db2.gz IUROZJMUJIVOKM-UHFFFAOYSA-N 1 1 339.420 3.425 50 0 EGAAMO CCOC(=O)[C@@]1(Cc2ccccc2)CCC[N@@H+](Cc2cc(C)n[nH]2)C1 ZINC000012434375 211379678 /nfs/dbraw/zinc/37/96/78/211379678.db2.gz MWQQNIOFPZEPMH-HXUWFJFHSA-N 1 1 341.455 3.106 50 0 EGAAMO Cc1cccc(CN2CCC[C@]3(CC[N@@H+](Cc4cccnc4)C3)C2=O)c1 ZINC000012200889 211318501 /nfs/dbraw/zinc/31/85/01/211318501.db2.gz QORGRKBSKCCERN-JOCHJYFZSA-N 1 1 349.478 3.405 50 0 EGAAMO CCC[C@]1(CO)CCC[N@@H+](Cc2cncn2Cc2ccccc2)C1 ZINC000091412216 218002079 /nfs/dbraw/zinc/00/20/79/218002079.db2.gz OTXUQMMSOPYKHL-FQEVSTJZSA-N 1 1 327.472 3.306 50 0 EGAAMO CC(C)=CC[N@H+]1C[C@H]2CC[C@@H]1CN(C(=O)CSc1ccncc1)C2 ZINC000091452632 218008703 /nfs/dbraw/zinc/00/87/03/218008703.db2.gz JBNXUTJDADEVGO-IAGOWNOFSA-N 1 1 345.512 3.063 50 0 EGAAMO CC[N@H+](Cc1cnn(C(C)C)c1)Cc1cc(=O)c2cccc(F)c2[nH]1 ZINC000091504895 218015514 /nfs/dbraw/zinc/01/55/14/218015514.db2.gz WHAVAIXNGQNIJW-UHFFFAOYSA-N 1 1 342.418 3.467 50 0 EGAAMO CC[N@@H+](Cc1cnn(C(C)C)c1)Cc1cc(=O)c2cccc(F)c2[nH]1 ZINC000091504895 218015517 /nfs/dbraw/zinc/01/55/17/218015517.db2.gz WHAVAIXNGQNIJW-UHFFFAOYSA-N 1 1 342.418 3.467 50 0 EGAAMO C[C@H]1CCCC[N@H+]1C1CN(Cc2cc(=O)c3cc(F)ccc3[nH]2)C1 ZINC000091518871 218016332 /nfs/dbraw/zinc/01/63/32/218016332.db2.gz HLJKIMSYOXMYEQ-ZDUSSCGKSA-N 1 1 329.419 3.138 50 0 EGAAMO O=C1NCCC[C@]12CC[N@@H+](Cc1ccccc1OC1CCCC1)C2 ZINC000091535379 218019265 /nfs/dbraw/zinc/01/92/65/218019265.db2.gz NSXZJQWWNPNTMN-HXUWFJFHSA-N 1 1 328.456 3.110 50 0 EGAAMO Cc1cccc(N2CCN(C(=O)C[C@H]3CCc4ccccc43)CC2)[nH+]1 ZINC000091625371 218034696 /nfs/dbraw/zinc/03/46/96/218034696.db2.gz VVAQISJAFAFUIP-GOSISDBHSA-N 1 1 335.451 3.159 50 0 EGAAMO Cc1cnc(C)c(N2CCC[C@H](c3[nH+]ccn3Cc3cccnc3)C2)n1 ZINC000091651656 218041441 /nfs/dbraw/zinc/04/14/41/218041441.db2.gz ONEFGSQGJYXDSS-SFHVURJKSA-N 1 1 348.454 3.117 50 0 EGAAMO COCC[C@]1(CO)CCC[N@H+](Cc2cc(F)c(OC)c(Cl)c2)C1 ZINC000091914842 218088058 /nfs/dbraw/zinc/08/80/58/218088058.db2.gz ZZTHPJONHYJCMG-QGZVFWFLSA-N 1 1 345.842 3.099 50 0 EGAAMO COCC[C@]1(CO)CCC[N@@H+](Cc2cc(F)c(OC)c(Cl)c2)C1 ZINC000091914842 218088060 /nfs/dbraw/zinc/08/80/60/218088060.db2.gz ZZTHPJONHYJCMG-QGZVFWFLSA-N 1 1 345.842 3.099 50 0 EGAAMO Fc1ccc(C[N@H+]2C[C@@H]3CC[C@H](C2)N(Cc2nccs2)C3)cc1 ZINC000095357575 218291022 /nfs/dbraw/zinc/29/10/22/218291022.db2.gz AJYNRMPTOQYGFV-DOTOQJQBSA-N 1 1 331.460 3.379 50 0 EGAAMO c1cn(CC2CCC2)c([C@@H]2CCCN(c3[nH+]cnc4[nH]ccc43)C2)n1 ZINC000095363366 218296961 /nfs/dbraw/zinc/29/69/61/218296961.db2.gz YZHOIEUDUURZEF-OAHLLOKOSA-N 1 1 336.443 3.339 50 0 EGAAMO CC(C)n1ccnc1[C@@H]1CCC[N@@H+](CCC(=O)NC2CCCCC2)C1 ZINC000095378422 218311464 /nfs/dbraw/zinc/31/14/64/218311464.db2.gz UNXGXRAIWWJAAN-QGZVFWFLSA-N 1 1 346.519 3.482 50 0 EGAAMO Cc1cc(C)c2c(ncnc2NC[C@@H]2CC[N@H+](C3CCCC3)C2)n1 ZINC000095386934 218318913 /nfs/dbraw/zinc/31/89/13/218318913.db2.gz LUJPYNSSPWDAQN-HNNXBMFYSA-N 1 1 325.460 3.318 50 0 EGAAMO Cc1cc[nH+]c(N2CCC[C@@H](c3nccn3Cc3ccccn3)C2)c1 ZINC000095385987 218318337 /nfs/dbraw/zinc/31/83/37/218318337.db2.gz XGLCSPHYGOCGSV-QGZVFWFLSA-N 1 1 333.439 3.414 50 0 EGAAMO CSCc1nc(CNC(=O)[C@@H](c2ccccc2C)[NH+](C)C)cs1 ZINC000095503847 218418120 /nfs/dbraw/zinc/41/81/20/218418120.db2.gz VRWIKFSFTVADKD-MRXNPFEDSA-N 1 1 349.525 3.234 50 0 EGAAMO CCc1[nH+]ccn1CC1(CNC(=O)CCc2ccc(F)c(F)c2)CC1 ZINC000299781813 258090017 /nfs/dbraw/zinc/09/00/17/258090017.db2.gz VXUMXNYEKUSJEK-UHFFFAOYSA-N 1 1 347.409 3.253 50 0 EGAAMO CCc1[nH+]ccn1CC1(CNC(=O)CSc2ccccc2)CC1 ZINC000299781085 258090266 /nfs/dbraw/zinc/09/02/66/258090266.db2.gz DCROFKGYHNDVTN-UHFFFAOYSA-N 1 1 329.469 3.134 50 0 EGAAMO Cc1c(C[NH2+]Cc2cccnc2Oc2ccc(F)c(F)c2)cnn1C ZINC000055060665 258061050 /nfs/dbraw/zinc/06/10/50/258061050.db2.gz KUVLKZUHVZPRSI-UHFFFAOYSA-N 1 1 344.365 3.484 50 0 EGAAMO COc1cc2c(cc1OC)[C@H]1Cc3cc(OC)c(OC)cc3[C@@H](C2)[NH2+]1 ZINC000025691720 295043036 /nfs/dbraw/zinc/04/30/36/295043036.db2.gz SRSPZLZVGPJHJH-HZPDHXFCSA-N 1 1 341.407 3.205 50 0 in-vitro EGAAMO C[N@H+]1CCCC[C@H]1CCC(=O)Nc1cnn(Cc2ccccc2)c1 ZINC000572195250 317304310 /nfs/dbraw/zinc/30/43/10/317304310.db2.gz JFTHQGHBIQQQBF-SFHVURJKSA-N 1 1 326.444 3.134 50 0 EGAAMO CCCOc1ccc(N2C(=O)C[C@@H]([N@H+]3CCCC[C@H]3CC)C2=O)cc1 ZINC000239331257 455260825 /nfs/dbraw/zinc/26/08/25/455260825.db2.gz KJISFIHAFDNXCG-CRAIPNDOSA-N 1 1 344.455 3.372 50 0 EGAAMO CCOc1ccc(C[NH+]2CCN(c3ccccc3OC)CC2)cc1 ZINC000000240031 452544050 /nfs/dbraw/zinc/54/40/50/452544050.db2.gz OOPQMGRDXPSLJQ-UHFFFAOYSA-N 1 1 326.440 3.416 50 0 EGAAMO COc1ccccc1C(=O)c1cccc(C[NH+]2CCSCC2)c1 ZINC000002515271 452702223 /nfs/dbraw/zinc/70/22/23/452702223.db2.gz MCIFRMVNHPOABM-UHFFFAOYSA-N 1 1 327.449 3.475 50 0 EGAAMO COc1cccc(C(=O)N2CCC([N@@H+]3C[C@H](C)C[C@H](C)C3)CC2)c1 ZINC000002735037 452719329 /nfs/dbraw/zinc/71/93/29/452719329.db2.gz ACOMVHBPRUSGRJ-IYBDPMFKSA-N 1 1 330.472 3.278 50 0 EGAAMO C/C=C/c1ccc(OCC[N@@H+]2CCC[C@@H](C(=O)OCC)C2)c(OC)c1 ZINC000006727608 452978312 /nfs/dbraw/zinc/97/83/12/452978312.db2.gz XPVNXSSVKLVVCF-BBOMDTFKSA-N 1 1 347.455 3.382 50 0 EGAAMO C/C(=C\c1ccccc1)C[N@@H+]1CCC(=O)N(Cc2cccnc2)CC1 ZINC000012726563 453394885 /nfs/dbraw/zinc/39/48/85/453394885.db2.gz LADKETVLMMDBRO-NBVRZTHBSA-N 1 1 335.451 3.219 50 0 EGAAMO CCOC(=O)[C@@]1(Cc2ccccc2)CCC[N@H+](Cc2ccon2)C1 ZINC000012745441 453397201 /nfs/dbraw/zinc/39/72/01/453397201.db2.gz GUSVEXOQPCQBSP-LJQANCHMSA-N 1 1 328.412 3.063 50 0 EGAAMO CCOC(=O)[C@@]1(Cc2ccccc2)CCC[N@@H+](Cc2ccon2)C1 ZINC000012745441 453397208 /nfs/dbraw/zinc/39/72/08/453397208.db2.gz GUSVEXOQPCQBSP-LJQANCHMSA-N 1 1 328.412 3.063 50 0 EGAAMO CCC[NH+]1CCN(C(=O)c2cc(Br)ccc2Cl)CC1 ZINC000013326011 453458070 /nfs/dbraw/zinc/45/80/70/453458070.db2.gz OKLZGTBYQWWFEM-UHFFFAOYSA-N 1 1 345.668 3.270 50 0 EGAAMO CCCCc1ccc(NC(=S)NCCC[NH+]2CCOCC2)cc1 ZINC000013497418 453467486 /nfs/dbraw/zinc/46/74/86/453467486.db2.gz WZKPZLPYKLGSGZ-UHFFFAOYSA-N 1 1 335.517 3.038 50 0 EGAAMO COC(=O)c1ccc(C[N@@H+]2CCc3cc(OC)c(OC)cc3C2)cc1 ZINC000015293716 453564422 /nfs/dbraw/zinc/56/44/22/453564422.db2.gz GAJFGNXFJCQLFM-UHFFFAOYSA-N 1 1 341.407 3.049 50 0 EGAAMO COC(=O)c1ccc(C[N@H+]2CCc3cc(OC)c(OC)cc3C2)cc1 ZINC000015293716 453564430 /nfs/dbraw/zinc/56/44/30/453564430.db2.gz GAJFGNXFJCQLFM-UHFFFAOYSA-N 1 1 341.407 3.049 50 0 EGAAMO CCOC(=O)[C@H]1CCCN(c2cc(C)c3cc4c(cc3[nH+]2)OCO4)C1 ZINC000023634300 453714083 /nfs/dbraw/zinc/71/40/83/453714083.db2.gz FIASVAZWARGJMA-ZDUSSCGKSA-N 1 1 342.395 3.051 50 0 EGAAMO Cc1ccc(-c2noc(C[N@@H+]3CCC[C@@H](c4nccn4C)C3)n2)cc1 ZINC000082121346 453925723 /nfs/dbraw/zinc/92/57/23/453925723.db2.gz SEPCPKDJZLEYAO-MRXNPFEDSA-N 1 1 337.427 3.158 50 0 EGAAMO Cc1ccoc1C(=O)NC[C@H]1CC[N@@H+](Cc2nc(C(C)C)cs2)C1 ZINC000067643066 453952225 /nfs/dbraw/zinc/95/22/25/453952225.db2.gz OXIGNVDDFSIGQO-CQSZACIVSA-N 1 1 347.484 3.420 50 0 EGAAMO Cc1ccoc1C(=O)NC[C@H]1CC[N@H+](Cc2nc(C(C)C)cs2)C1 ZINC000067643066 453952227 /nfs/dbraw/zinc/95/22/27/453952227.db2.gz OXIGNVDDFSIGQO-CQSZACIVSA-N 1 1 347.484 3.420 50 0 EGAAMO NC(=O)COc1cccc(C[N@H+]2CCCCC[C@@H]2c2ccco2)c1 ZINC000076805190 454038802 /nfs/dbraw/zinc/03/88/02/454038802.db2.gz HZNGJKZFKJVXIB-QGZVFWFLSA-N 1 1 328.412 3.261 50 0 EGAAMO c1[nH]nc(C2CCCCC2)c1C[N@@H+]1CCCC[C@@H]1CN1CCOCC1 ZINC000077408430 454102534 /nfs/dbraw/zinc/10/25/34/454102534.db2.gz HQMYCIBIDZZEKE-LJQANCHMSA-N 1 1 346.519 3.144 50 0 EGAAMO CCCc1cc(C(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)n(C)n1 ZINC000077505292 454115073 /nfs/dbraw/zinc/11/50/73/454115073.db2.gz JECAUXYQBOPHDC-QGZVFWFLSA-N 1 1 348.878 3.059 50 0 EGAAMO CC[N@H+]1CCC[C@@H](CNC(=O)CCc2nc3ccccc3s2)C1 ZINC000058268325 454176063 /nfs/dbraw/zinc/17/60/63/454176063.db2.gz UQVMVNWCZBFDGL-AWEZNQCLSA-N 1 1 331.485 3.077 50 0 EGAAMO CCc1cc(C(=O)N2C[C@H]3CC[C@@H]2C[N@@H+](Cc2ccccc2)C3)ccn1 ZINC000095374327 454198462 /nfs/dbraw/zinc/19/84/62/454198462.db2.gz JRKXUUCXYOUIHS-GHTZIAJQSA-N 1 1 349.478 3.381 50 0 EGAAMO COc1ccc(F)c(-c2nc(C[N@@H+](C)CC(C)(C)CO)c(C)o2)c1 ZINC000071747844 454211611 /nfs/dbraw/zinc/21/16/11/454211611.db2.gz MTJJJPZKQXVIMW-UHFFFAOYSA-N 1 1 336.407 3.248 50 0 EGAAMO COc1ccc(-c2nc(C[N@H+](C)C[C@@H]3CCCO3)c(C)o2)c(F)c1 ZINC000071748830 454213150 /nfs/dbraw/zinc/21/31/50/454213150.db2.gz WPJJLMMUUNBKNC-AWEZNQCLSA-N 1 1 334.391 3.409 50 0 EGAAMO COc1ccc(-c2nc(C[N@@H+](C)C[C@@H]3CCCO3)c(C)o2)c(F)c1 ZINC000071748830 454213153 /nfs/dbraw/zinc/21/31/53/454213153.db2.gz WPJJLMMUUNBKNC-AWEZNQCLSA-N 1 1 334.391 3.409 50 0 EGAAMO CCc1[nH]c2c(cc(C)cc2CNC(=O)[C@H]2CCC[N@@H+](C)C2)c1C ZINC000071748477 454213572 /nfs/dbraw/zinc/21/35/72/454213572.db2.gz ADOUWFMUSRFYNU-HNNXBMFYSA-N 1 1 327.472 3.305 50 0 EGAAMO C[C@@]1(Cc2ccc3c(c2)OCO3)CCC[N@@H+](Cc2cccnc2N)C1 ZINC000095500297 454222040 /nfs/dbraw/zinc/22/20/40/454222040.db2.gz OHMCUNHPVABKFU-FQEVSTJZSA-N 1 1 339.439 3.237 50 0 EGAAMO c1ccc2c(c1)CC[N@H+](CCNc1nccc(-c3cccnc3)n1)C2 ZINC000096138932 454291712 /nfs/dbraw/zinc/29/17/12/454291712.db2.gz SVRXPVRMQPXVJT-UHFFFAOYSA-N 1 1 331.423 3.009 50 0 EGAAMO C[N@@H+]1CCN(C(=O)c2ccc(N3CCCC3)cc2)C[C@@H]1c1ccccc1 ZINC000062317195 454373954 /nfs/dbraw/zinc/37/39/54/454373954.db2.gz NZCJQWDJCCZLOD-OAQYLSRUSA-N 1 1 349.478 3.416 50 0 EGAAMO C[N@H+]1CCN(C(=O)c2ccc(N3CCCC3)cc2)C[C@@H]1c1ccccc1 ZINC000062317195 454373958 /nfs/dbraw/zinc/37/39/58/454373958.db2.gz NZCJQWDJCCZLOD-OAQYLSRUSA-N 1 1 349.478 3.416 50 0 EGAAMO C[N@H+]1CCC[C@@H]1CCNc1nccc(-c2cnn(-c3ccccc3)c2)n1 ZINC000048428262 454488057 /nfs/dbraw/zinc/48/80/57/454488057.db2.gz YBRRUPQCINBFGT-QGZVFWFLSA-N 1 1 348.454 3.226 50 0 EGAAMO CCSc1ncc(C[N@@H+]2CC[C@@H](c3ccc(F)cc3)[C@H](O)C2)cn1 ZINC000065372836 454554741 /nfs/dbraw/zinc/55/47/41/454554741.db2.gz DTIQNWGKTSCNEP-DLBZAZTESA-N 1 1 347.459 3.078 50 0 EGAAMO CCSc1ncc(C[N@H+]2CC[C@@H](c3ccc(F)cc3)[C@H](O)C2)cn1 ZINC000065372836 454554743 /nfs/dbraw/zinc/55/47/43/454554743.db2.gz DTIQNWGKTSCNEP-DLBZAZTESA-N 1 1 347.459 3.078 50 0 EGAAMO O[C@@H](C[NH+]1CCOCC1)c1ccc(-c2ccc(-c3cc[nH]n3)cc2)cc1 ZINC000065386360 454557969 /nfs/dbraw/zinc/55/79/69/454557969.db2.gz ZOHKMTXLQDPWQG-NRFANRHFSA-N 1 1 349.434 3.109 50 0 EGAAMO CCc1[nH+]ccn1Cc1nc(C(C)C)nn1-c1ccccc1OC ZINC000065395017 454559082 /nfs/dbraw/zinc/55/90/82/454559082.db2.gz CDJGFLRJQZOCKL-UHFFFAOYSA-N 1 1 325.416 3.207 50 0 EGAAMO C=Cn1cc(C[N@H+]2CC[C@@H](c3ccc4ccccc4c3)[C@H](O)C2)cn1 ZINC000065404909 454561615 /nfs/dbraw/zinc/56/16/15/454561615.db2.gz SLSHYUAUHIDDRV-LEWJYISDSA-N 1 1 333.435 3.487 50 0 EGAAMO OCc1ccc(C[N@H+]2CC[C@@H](c3ccc4ccccc4c3)[C@H](O)C2)o1 ZINC000065404703 454561923 /nfs/dbraw/zinc/56/19/23/454561923.db2.gz TWBAGUITPUKZLD-LEWJYISDSA-N 1 1 337.419 3.276 50 0 EGAAMO Cn1ccc2cc(C(=O)NC[C@@H]3CCC[N@H+]4CCCC[C@@H]34)ccc21 ZINC000170613505 454942145 /nfs/dbraw/zinc/94/21/45/454942145.db2.gz ZSIYPRXNUQGSGS-HKUYNNGSSA-N 1 1 325.456 3.173 50 0 EGAAMO Cc1cc(NC(=O)C[N@@H+]2CCCC[C@@H]2CCc2cccs2)no1 ZINC000252500104 455815561 /nfs/dbraw/zinc/81/55/61/455815561.db2.gz SNDQIHQPYCIEEQ-CQSZACIVSA-N 1 1 333.457 3.470 50 0 EGAAMO Cc1cc(NC(=O)C[N@H+]2CCCC[C@@H]2CCc2cccs2)no1 ZINC000252500104 455815568 /nfs/dbraw/zinc/81/55/68/455815568.db2.gz SNDQIHQPYCIEEQ-CQSZACIVSA-N 1 1 333.457 3.470 50 0 EGAAMO CN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)Cc1c[nH]c2ccccc12 ZINC000253414620 455840906 /nfs/dbraw/zinc/84/09/06/455840906.db2.gz XZGPFZIUVRUHGO-OXJNMPFZSA-N 1 1 339.483 3.433 50 0 biogenic EGAAMO COc1ccccc1CCC(=O)NC[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000222721576 456049398 /nfs/dbraw/zinc/04/93/98/456049398.db2.gz WJSHAHQFVOREBN-MRXNPFEDSA-N 1 1 330.472 3.009 50 0 EGAAMO C[C@H](O)c1cccc(-c2ccc(C(=O)N3CCC[N@@H+](C)CC3)cc2)c1 ZINC000426386963 457819385 /nfs/dbraw/zinc/81/93/85/457819385.db2.gz VCTJNYXJZFNPEX-INIZCTEOSA-N 1 1 338.451 3.185 50 0 EGAAMO CC[N@H+]1CCC[C@H]1CNC(=O)c1ccc(-c2ccc(F)cn2)cc1 ZINC000426434609 457829913 /nfs/dbraw/zinc/82/99/13/457829913.db2.gz YMUSDSLZXULYGZ-KRWDZBQOSA-N 1 1 327.403 3.102 50 0 EGAAMO CO[C@]12CC[N@@H+](Cc3ccc(C)c4ncccc34)[C@H]1C[C@@H](O)CC2 ZINC000426552059 457854076 /nfs/dbraw/zinc/85/40/76/457854076.db2.gz TVERNNFGJMPJGX-XKGZKEIXSA-N 1 1 326.440 3.048 50 0 EGAAMO O=C(Nc1cccs1)N1CCC[N@H+](C2CCSCC2)CC1 ZINC000575618792 459986797 /nfs/dbraw/zinc/98/67/97/459986797.db2.gz WIQBATHRVODNGT-UHFFFAOYSA-N 1 1 325.503 3.183 50 0 EGAAMO CCOc1ccc(-c2ccc(C[N@H+]3CCC[C@@H](NC(C)=O)C3)o2)cc1 ZINC000216539568 535692972 /nfs/dbraw/zinc/69/29/72/535692972.db2.gz WXRIWJXCWWODHK-QGZVFWFLSA-N 1 1 342.439 3.446 50 0 EGAAMO C[N@@H+](CCC(=O)Nc1ccc2c(c1)CCC2)C[C@@H](O)c1ccccc1 ZINC000243932471 536307306 /nfs/dbraw/zinc/30/73/06/536307306.db2.gz BVQJWNGGLLXVSO-HXUWFJFHSA-N 1 1 338.451 3.169 50 0 EGAAMO C[N@H+](CCC(=O)Nc1ccc(F)cc1F)CC[C@@H](O)c1ccccc1 ZINC000244574804 536307331 /nfs/dbraw/zinc/30/73/31/536307331.db2.gz CRUOUNAHYHWVOR-GOSISDBHSA-N 1 1 348.393 3.349 50 0 EGAAMO COc1cc(C)sc1C(=O)NCC[N@H+]1CC[C@H](c2ccccc2)C1 ZINC000216250289 536707633 /nfs/dbraw/zinc/70/76/33/536707633.db2.gz KGNZCIIWIPBLCB-INIZCTEOSA-N 1 1 344.480 3.284 50 0 EGAAMO Cc1cccc(C2(NC(=O)N(C)CC[N@@H+]3CCCC[C@H]3C)CC2)c1 ZINC000584887836 548099294 /nfs/dbraw/zinc/09/92/94/548099294.db2.gz MZJSFOUOVGXTAG-QGZVFWFLSA-N 1 1 329.488 3.500 50 0 EGAAMO COCc1nc([C@@H]2CCCCC[N@@H+]2C)n(Cc2ccc(OC)cc2)n1 ZINC000670439107 548215343 /nfs/dbraw/zinc/21/53/43/548215343.db2.gz OYBVBDCQVNSGTQ-KRWDZBQOSA-N 1 1 344.459 3.028 50 0 EGAAMO COCc1nc([C@@H]2CCCCC[N@H+]2C)n(Cc2ccc(OC)cc2)n1 ZINC000670439107 548215348 /nfs/dbraw/zinc/21/53/48/548215348.db2.gz OYBVBDCQVNSGTQ-KRWDZBQOSA-N 1 1 344.459 3.028 50 0 EGAAMO Cc1cc(S(=O)(=O)NCCCn2cc[nH+]c2C(C)C)c(C)s1 ZINC000670461673 548220056 /nfs/dbraw/zinc/22/00/56/548220056.db2.gz VOXAYZTYOZESSW-UHFFFAOYSA-N 1 1 341.502 3.053 50 0 EGAAMO CCCn1cc(C[N@H+]2CCC[C@@](CO)(Cc3ccccc3)C2)c(C)n1 ZINC000012595703 1291133241 /nfs/dbraw/zinc/13/32/41/1291133241.db2.gz QZBGDYGCGLLREA-OAQYLSRUSA-N 1 1 341.499 3.419 50 0 EGAAMO CC[C@H](CO)[N@@H+](Cc1cccc(-n2cccn2)c1)Cc1ccccn1 ZINC000055199148 1291777008 /nfs/dbraw/zinc/77/70/08/1291777008.db2.gz QHQPJXABZVNVHU-LJQANCHMSA-N 1 1 336.439 3.040 50 0 EGAAMO COc1nc(NCC[C@H]2CCCC[N@H+]2Cc2ccccc2)ncc1F ZINC000952983915 1334629778 /nfs/dbraw/zinc/62/97/78/1334629778.db2.gz SKLBWAUOICVBLB-MRXNPFEDSA-N 1 1 344.434 3.481 50 0 EGAAMO O[C@H]1C[N@H+](Cc2cc(C3CC3)on2)C[C@H]1Cc1ccnc2ccccc12 ZINC001704302149 1416433949 /nfs/dbraw/zinc/43/39/49/1416433949.db2.gz FOAFBSZDNXLZOR-UZLBHIALSA-N 1 1 349.434 3.136 50 0 EGAAMO O[C@H]1C[N@@H+](Cc2cc(C3CC3)on2)C[C@H]1Cc1ccnc2ccccc12 ZINC001704302149 1416433952 /nfs/dbraw/zinc/43/39/52/1416433952.db2.gz FOAFBSZDNXLZOR-UZLBHIALSA-N 1 1 349.434 3.136 50 0 EGAAMO O=C(c1c[nH]c2ccccc12)N1CCC[N@H+](CC[C@H]2CC2(F)F)CC1 ZINC001772707927 1441417189 /nfs/dbraw/zinc/41/71/89/1441417189.db2.gz YJGBGSUTJLVUCL-AWEZNQCLSA-N 1 1 347.409 3.361 50 0 EGAAMO CC[C@H](Cc1ccco1)[N@H+]1CCCN(C(=O)c2c(C)noc2C)CC1 ZINC001772815103 1441417649 /nfs/dbraw/zinc/41/76/49/1441417649.db2.gz IURMPISGGXXKKK-MRXNPFEDSA-N 1 1 345.443 3.054 50 0 EGAAMO CC[C@@H](Cc1ccco1)[N@H+]1CCCN(C(=O)c2c(C)noc2C)CC1 ZINC001772815100 1441417695 /nfs/dbraw/zinc/41/76/95/1441417695.db2.gz IURMPISGGXXKKK-INIZCTEOSA-N 1 1 345.443 3.054 50 0 EGAAMO CCc1n[nH]cc1C(=O)NC[C@H](c1ccc(Cl)cc1)[NH+]1CCCC1 ZINC000097642585 219044452 /nfs/dbraw/zinc/04/44/52/219044452.db2.gz ZMJUZADKTSILKZ-QGZVFWFLSA-N 1 1 346.862 3.192 50 0 EGAAMO Cc1cc(C)c(-n2cccn2)c(C[N@H+](Cc2cnn(C)c2)C2CC2)c1 ZINC000097657133 219044832 /nfs/dbraw/zinc/04/48/32/219044832.db2.gz YZKADRKPJUCQKT-UHFFFAOYSA-N 1 1 335.455 3.387 50 0 EGAAMO CC[NH+]1CCN(C(=O)c2ccc(NCc3ccc(C)cc3)cc2)CC1 ZINC000055211990 214290202 /nfs/dbraw/zinc/29/02/02/214290202.db2.gz PBEWBWNMCACALL-UHFFFAOYSA-N 1 1 337.467 3.385 50 0 EGAAMO Cc1cccc(CN(C(=O)CC[C@@H](C)N2CC[NH+](C)CC2)C(C)C)c1 ZINC000055244513 214294304 /nfs/dbraw/zinc/29/43/04/214294304.db2.gz WXHGEXXGIUMNRI-LJQANCHMSA-N 1 1 345.531 3.148 50 0 EGAAMO Cc1[nH+]ccn1CCC(=O)N(Cc1nccs1)Cc1ccccc1 ZINC000055340692 214309163 /nfs/dbraw/zinc/30/91/63/214309163.db2.gz YLJZFTGELIWWEW-UHFFFAOYSA-N 1 1 340.452 3.267 50 0 EGAAMO O=C(NC1(Cc2ccccc2)CC1)[C@H]1CCC[N@@H+](Cc2ccco2)C1 ZINC000055403164 214320008 /nfs/dbraw/zinc/32/00/08/214320008.db2.gz PJALIUANONIYFA-SFHVURJKSA-N 1 1 338.451 3.383 50 0 EGAAMO Cc1cccc2c1cc(C(=O)N1CC[NH2+][C@@H](c3ccccc3)C1)n2C ZINC000097785094 219056755 /nfs/dbraw/zinc/05/67/55/219056755.db2.gz HDNTYTJCVZSVTG-GOSISDBHSA-N 1 1 333.435 3.273 50 0 EGAAMO C[NH+](C)Cc1ccc(C(=O)NC2(Cc3ccc(Cl)cc3)CC2)o1 ZINC000097785193 219056841 /nfs/dbraw/zinc/05/68/41/219056841.db2.gz CQXIBBWCPFFYSE-UHFFFAOYSA-N 1 1 332.831 3.500 50 0 EGAAMO CC[C@H](O)C[N@@H+]1CCOc2c(O)cc(-c3ccc(C)s3)cc2C1 ZINC000067688694 215184333 /nfs/dbraw/zinc/18/43/33/215184333.db2.gz CPNZBSJARGQDDD-HNNXBMFYSA-N 1 1 333.453 3.394 50 0 EGAAMO CC[C@H](O)C[N@H+]1CCOc2c(O)cc(-c3ccc(C)s3)cc2C1 ZINC000067688694 215184335 /nfs/dbraw/zinc/18/43/35/215184335.db2.gz CPNZBSJARGQDDD-HNNXBMFYSA-N 1 1 333.453 3.394 50 0 EGAAMO Cc1ccccc1-c1cc(O)c2c(c1)CN(c1cc(N)[nH+]cn1)CCO2 ZINC000067726237 215196209 /nfs/dbraw/zinc/19/62/09/215196209.db2.gz BDEKBBOXJUTCNP-UHFFFAOYSA-N 1 1 348.406 3.139 50 0 EGAAMO c1coc(-c2cc(CNC3CC[NH+](Cc4ccccn4)CC3)no2)c1 ZINC000067785385 215211829 /nfs/dbraw/zinc/21/18/29/215211829.db2.gz RGRJHUHKAPYLSW-UHFFFAOYSA-N 1 1 338.411 3.084 50 0 EGAAMO COCCn1c[nH+]cc1Cn1ccnc1-c1c(F)cccc1Cl ZINC000067834492 215223911 /nfs/dbraw/zinc/22/39/11/215223911.db2.gz QCOJNUAILXPTBW-UHFFFAOYSA-N 1 1 334.782 3.234 50 0 EGAAMO COc1ccc(-c2ccc(C(=O)N3CC[C@@H]4CC[C@H](C3)[N@H+]4C)o2)cc1 ZINC000067947579 215255676 /nfs/dbraw/zinc/25/56/76/215255676.db2.gz HEPXNAZKDVCCRO-JKSUJKDBSA-N 1 1 340.423 3.264 50 0 EGAAMO C[N@H+]1CCC[C@@H]1CCn1ccnc1-c1cc2c(cc1Cl)OCO2 ZINC000067966726 215262432 /nfs/dbraw/zinc/26/24/32/215262432.db2.gz TZRJBWGCDUBFTJ-GFCCVEGCSA-N 1 1 333.819 3.417 50 0 EGAAMO Nc1cc(N2CCC(c3cc(Cc4ccccc4)[nH]n3)CC2)cc[nH+]1 ZINC000067955810 215259360 /nfs/dbraw/zinc/25/93/60/215259360.db2.gz MVIKBRZCEBFCJF-UHFFFAOYSA-N 1 1 333.439 3.362 50 0 EGAAMO C[NH+]1CCC(C[N@H+]2CC[C@@H](c3ccc4ccccc4c3)[C@H](O)C2)CC1 ZINC000067966603 215262080 /nfs/dbraw/zinc/26/20/80/215262080.db2.gz MLTCIMYQQALRDN-FCHUYYIVSA-N 1 1 338.495 3.332 50 0 EGAAMO CCn1nc(C)c(CN(C)C[C@H]2Cc3ccccc3C[N@H+]2C)c1C ZINC000072127257 216017985 /nfs/dbraw/zinc/01/79/85/216017985.db2.gz YGFKIUGWVGVEOS-LJQANCHMSA-N 1 1 326.488 3.008 50 0 EGAAMO CCn1nc(C)c(C[N@H+](C)C[C@H]2Cc3ccccc3CN2C)c1C ZINC000072127257 216017988 /nfs/dbraw/zinc/01/79/88/216017988.db2.gz YGFKIUGWVGVEOS-LJQANCHMSA-N 1 1 326.488 3.008 50 0 EGAAMO CCn1nc(C)c(C[N@@H+](C)C[C@H]2Cc3ccccc3CN2C)c1C ZINC000072127257 216017990 /nfs/dbraw/zinc/01/79/90/216017990.db2.gz YGFKIUGWVGVEOS-LJQANCHMSA-N 1 1 326.488 3.008 50 0 EGAAMO Fc1ccc(C[N@H+]2CCC[C@@]3(CCN(c4ncccn4)C3)C2)cc1F ZINC000072145421 216032676 /nfs/dbraw/zinc/03/26/76/216032676.db2.gz YKRORAJEMVCEEU-LJQANCHMSA-N 1 1 344.409 3.247 50 0 EGAAMO CC[N@H+]1CCC[C@H](CN2CCN(Cc3cccc(Cl)c3)CC2)C1 ZINC000072149696 216037242 /nfs/dbraw/zinc/03/72/42/216037242.db2.gz ORXMEANPXGQKLC-SFHVURJKSA-N 1 1 335.923 3.190 50 0 EGAAMO Cc1cc(C(=O)N2CCC[C@@H]2[C@H]2CCC[N@H+]2Cc2ccccc2)on1 ZINC000072280492 216108595 /nfs/dbraw/zinc/10/85/95/216108595.db2.gz HTUKOXMLIZSHIX-QZTJIDSGSA-N 1 1 339.439 3.252 50 0 EGAAMO Cc1cc(NCC[N@H+]2CCC[C@@H](c3ccccc3)C2)n2nccc2n1 ZINC000072410210 216202563 /nfs/dbraw/zinc/20/25/63/216202563.db2.gz VNNJYCYXCZFJRS-GOSISDBHSA-N 1 1 335.455 3.329 50 0 EGAAMO O=C1CC[C@]2(CCC[N@H+](CCCCCF)C2)CN1Cc1ccccn1 ZINC000072419597 216207938 /nfs/dbraw/zinc/20/79/38/216207938.db2.gz YFOXCABYKACNPQ-FQEVSTJZSA-N 1 1 347.478 3.426 50 0 EGAAMO Cc1ccc(C[N@@H+]2CCN(c3ncccc3Cl)C[C@@H]2CCO)cc1 ZINC000072448236 216239164 /nfs/dbraw/zinc/23/91/64/216239164.db2.gz VXMQLWPDURYMBP-KRWDZBQOSA-N 1 1 345.874 3.117 50 0 EGAAMO Cc1ccc(C[N@H+]2CCN(c3ncccc3Cl)C[C@@H]2CCO)cc1 ZINC000072448236 216239167 /nfs/dbraw/zinc/23/91/67/216239167.db2.gz VXMQLWPDURYMBP-KRWDZBQOSA-N 1 1 345.874 3.117 50 0 EGAAMO OCC[C@@H]1C[N@@H+](CC2CCCCC2)CCN1CCc1ccccc1 ZINC000023358198 212370931 /nfs/dbraw/zinc/37/09/31/212370931.db2.gz HBGGKDSZEPWTQN-OAQYLSRUSA-N 1 1 330.516 3.178 50 0 EGAAMO CN(C)c1ncc(CN2CCC[C@H]([N@@H+](C)Cc3ccccc3)C2)s1 ZINC000023358235 212369964 /nfs/dbraw/zinc/36/99/64/212369964.db2.gz VPLMNHKFPMRUJL-KRWDZBQOSA-N 1 1 344.528 3.306 50 0 EGAAMO COc1ccc(CN2CCC[N@@H+](C)CC2)cc1OCc1ccccc1 ZINC000023281660 212366900 /nfs/dbraw/zinc/36/69/00/212366900.db2.gz RGMHOSCQRFDZOZ-UHFFFAOYSA-N 1 1 340.467 3.412 50 0 EGAAMO Cc1ccc(C[N@H+]2CCN(Cc3ccccc3F)[C@@H](CCO)C2)cc1 ZINC000023153303 212357356 /nfs/dbraw/zinc/35/73/56/212357356.db2.gz CGVFSQGUKGBCGP-FQEVSTJZSA-N 1 1 342.458 3.203 50 0 EGAAMO OCC[C@@H]1CN(Cc2cccc(F)c2F)CC[N@H+]1Cc1ccccc1 ZINC000022920069 212334061 /nfs/dbraw/zinc/33/40/61/212334061.db2.gz YXURSDUDOIJURF-GOSISDBHSA-N 1 1 346.421 3.034 50 0 EGAAMO O=C(NCC1([NH+]2CCOCC2)CCCCC1)c1ccc(Cl)cc1 ZINC000022462162 212297790 /nfs/dbraw/zinc/29/77/90/212297790.db2.gz FAJUWNNVAOEAPC-UHFFFAOYSA-N 1 1 336.863 3.105 50 0 EGAAMO Cc1ccccc1-c1ncc(C[N@@H+]2C[C@H]3CCC[C@@H](C2)NC3=O)s1 ZINC000215100435 241106491 /nfs/dbraw/zinc/10/64/91/241106491.db2.gz VNOVMURAQDAXLR-CABCVRRESA-N 1 1 341.480 3.219 50 0 EGAAMO CC[C@]1(C(N)=O)CCC[N@@H+](Cc2cnc(C3CCCCC3)nc2)C1 ZINC000215138518 241109492 /nfs/dbraw/zinc/10/94/92/241109492.db2.gz COSIKYKXBUSFFF-IBGZPJMESA-N 1 1 330.476 3.002 50 0 EGAAMO CCSc1ncc(C[NH+]2CCC(CCn3cccn3)CC2)cn1 ZINC000216181486 241173005 /nfs/dbraw/zinc/17/30/05/241173005.db2.gz KMYQCUZFKFGQCA-UHFFFAOYSA-N 1 1 331.489 3.087 50 0 EGAAMO CC(C)C/C=C(\C[N@H+]1CC[C@@H](N2CCN(C)CC2)C1)c1ccccc1 ZINC000215532326 241132731 /nfs/dbraw/zinc/13/27/31/241132731.db2.gz DILTXDVQQGZZAP-DZEJHBHFSA-N 1 1 341.543 3.438 50 0 EGAAMO Cc1nc2cc(NC(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)C3)ccc2[nH]1 ZINC000244673871 243053448 /nfs/dbraw/zinc/05/34/48/243053448.db2.gz HXDJAKRPAZBOBR-KRWDZBQOSA-N 1 1 349.438 3.267 50 0 EGAAMO Cc1nc2ccc(NC(=O)N[C@H]3CC[N@H+](Cc4ccccc4)C3)cc2[nH]1 ZINC000244673871 243053459 /nfs/dbraw/zinc/05/34/59/243053459.db2.gz HXDJAKRPAZBOBR-KRWDZBQOSA-N 1 1 349.438 3.267 50 0 EGAAMO Cc1nc2ccc(NC(=O)N[C@H]3CC[N@@H+](Cc4ccccc4)C3)cc2[nH]1 ZINC000244673871 243053466 /nfs/dbraw/zinc/05/34/66/243053466.db2.gz HXDJAKRPAZBOBR-KRWDZBQOSA-N 1 1 349.438 3.267 50 0 EGAAMO C[C@@H](C(=O)NC1CCCC1)[N@H+](C)CCc1nc2cc(Cl)ccc2[nH]1 ZINC000244678772 243058368 /nfs/dbraw/zinc/05/83/68/243058368.db2.gz IJTRVCPOWBIJRX-LBPRGKRZSA-N 1 1 348.878 3.138 50 0 EGAAMO C[C@@H](C(=O)NC1CCCC1)[N@@H+](C)CCc1nc2cc(Cl)ccc2[nH]1 ZINC000244678772 243058369 /nfs/dbraw/zinc/05/83/69/243058369.db2.gz IJTRVCPOWBIJRX-LBPRGKRZSA-N 1 1 348.878 3.138 50 0 EGAAMO CCOc1ccccc1OCC[N@@H+](C)Cc1ccc2nonc2c1 ZINC000244811649 243085315 /nfs/dbraw/zinc/08/53/15/243085315.db2.gz SINFMFDEBCJSJY-UHFFFAOYSA-N 1 1 327.384 3.132 50 0 EGAAMO Cc1ccc(-c2nnc(CN3CC[NH+](Cc4ccccc4)CC3)o2)cc1 ZINC000020572393 212148102 /nfs/dbraw/zinc/14/81/02/212148102.db2.gz FZMNUIHWSHUNLS-UHFFFAOYSA-N 1 1 348.450 3.363 50 0 EGAAMO Cc1ccc(C[N@H+]2CCN(Cc3ccccc3F)[C@@H](CCO)C2)s1 ZINC000020450975 212129737 /nfs/dbraw/zinc/12/97/37/212129737.db2.gz RGWREWKPOFHULU-KRWDZBQOSA-N 1 1 348.487 3.264 50 0 EGAAMO C/C=C(\C)C[N@H+]1CCOc2ccc(CN3C[C@@H](C)O[C@@H](C)C3)cc2C1 ZINC000020256501 212114235 /nfs/dbraw/zinc/11/42/35/212114235.db2.gz IBZRFZNPNBOZNO-LOZUMDMVSA-N 1 1 344.499 3.456 50 0 EGAAMO OCC[C@H]1C[N@H+](C2CCCCC2)CCN1Cc1ccc(F)c(F)c1 ZINC000019790916 212067326 /nfs/dbraw/zinc/06/73/26/212067326.db2.gz SZWCNOMDBIDZLG-KRWDZBQOSA-N 1 1 338.442 3.166 50 0 EGAAMO OCC[C@H]1CN(Cc2cc(F)ccc2F)CC[N@H+]1Cc1ccccc1 ZINC000019743086 212060120 /nfs/dbraw/zinc/06/01/20/212060120.db2.gz MNTVHNTUDZIHIM-IBGZPJMESA-N 1 1 346.421 3.034 50 0 EGAAMO CC[C@H](C)[C@@H]([NH3+])c1nnc(SCC(=O)Nc2cccc(C)c2C)o1 ZINC000016039280 211878698 /nfs/dbraw/zinc/87/86/98/211878698.db2.gz FRORKUJUIXITQV-ZUZCIYMTSA-N 1 1 348.472 3.463 50 0 EGAAMO CSc1ccc(CN2CCC([N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000012363292 211355146 /nfs/dbraw/zinc/35/51/46/211355146.db2.gz QYXUAMJTHQYQLW-IYBDPMFKSA-N 1 1 334.529 3.482 50 0 EGAAMO CSc1ccc(C[NH+]2CCC(N3C[C@@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000012363292 211355149 /nfs/dbraw/zinc/35/51/49/211355149.db2.gz QYXUAMJTHQYQLW-IYBDPMFKSA-N 1 1 334.529 3.482 50 0 EGAAMO COC[C@@H]1CCC[N@@H+](Cc2c[nH]nc2-c2ccc(OC)c(F)c2)C1 ZINC000012316199 211344950 /nfs/dbraw/zinc/34/49/50/211344950.db2.gz YRDQJASKMDSPMD-CYBMUJFWSA-N 1 1 333.407 3.083 50 0 EGAAMO COCCC(=O)N1CC[C@]2(C1)CCC[N@@H+](CCC1CCCCC1)C2 ZINC000012205661 211320745 /nfs/dbraw/zinc/32/07/45/211320745.db2.gz MDGPJLLGOSQLEM-HXUWFJFHSA-N 1 1 336.520 3.308 50 0 EGAAMO Cc1[nH]c2c(c1CC(=O)N1CC[N@H+]3CCCC[C@H]3C1)c(C)ccc2C ZINC000091893933 218084709 /nfs/dbraw/zinc/08/47/09/218084709.db2.gz BPPCYFLQLQZQJS-KRWDZBQOSA-N 1 1 339.483 3.332 50 0 EGAAMO COCCC[C@]1(CO)CCC[N@@H+](Cc2c[nH]nc2C2CCCCC2)C1 ZINC000092098420 218118366 /nfs/dbraw/zinc/11/83/66/218118366.db2.gz GBUREWQTVUKEPU-HXUWFJFHSA-N 1 1 349.519 3.459 50 0 EGAAMO CCn1nc(C)c(CN2C[C@H]3CC[C@H](C[N@@H+]3CC=C(C)C)C2)c1C ZINC000092062109 218112236 /nfs/dbraw/zinc/11/22/36/218112236.db2.gz GYOLFEZDEGUJCQ-RBUKOAKNSA-N 1 1 330.520 3.382 50 0 EGAAMO CCn1nc(C)c(C[N@@H+]2C[C@@H]3CC[C@H](C2)N(CC=C(C)C)C3)c1C ZINC000092062109 218112238 /nfs/dbraw/zinc/11/22/38/218112238.db2.gz GYOLFEZDEGUJCQ-RBUKOAKNSA-N 1 1 330.520 3.382 50 0 EGAAMO CCn1nc(C)c(C[N@H+]2C[C@@H]3CC[C@H](C2)N(CC=C(C)C)C3)c1C ZINC000092062109 218112240 /nfs/dbraw/zinc/11/22/40/218112240.db2.gz GYOLFEZDEGUJCQ-RBUKOAKNSA-N 1 1 330.520 3.382 50 0 EGAAMO C[N@H+]1CCCCC[C@H]1C(=O)NCc1cc(-c2ccccc2Cl)on1 ZINC000095354432 218288065 /nfs/dbraw/zinc/28/80/65/218288065.db2.gz KIZFKWSRDVEIKW-INIZCTEOSA-N 1 1 347.846 3.486 50 0 EGAAMO Cc1cccc([C@H](C(=O)N(C)Cc2cc(C)cc(C)n2)[NH+](C)C)c1 ZINC000095358103 218292089 /nfs/dbraw/zinc/29/20/89/218292089.db2.gz VQPPIDIZGPBUPX-LJQANCHMSA-N 1 1 325.456 3.268 50 0 EGAAMO COc1ccc(C(=O)N2C[C@H]3CC[C@H](C[N@@H+]3Cc3ccccc3)C2)o1 ZINC000095361760 218294611 /nfs/dbraw/zinc/29/46/11/218294611.db2.gz OILIAWGHDQHSJR-IAGOWNOFSA-N 1 1 340.423 3.025 50 0 EGAAMO CSc1ccc(C[N@H+]2C[C@@H]3c4ccccc4OC[C@]3(CO)C2)cc1 ZINC000095378433 218311775 /nfs/dbraw/zinc/31/17/75/218311775.db2.gz BDDNSYSKMYTLIW-UYAOXDASSA-N 1 1 341.476 3.379 50 0 EGAAMO CC[N@H+]1CC[C@@H](C(=O)NCc2ccccc2OCc2ccccc2)C1 ZINC000097294603 219009869 /nfs/dbraw/zinc/00/98/69/219009869.db2.gz HDMNOOZZIOPEBT-LJQANCHMSA-N 1 1 338.451 3.224 50 0 EGAAMO CC[C@@H]1CCCC[N@H+]1CC(=O)Nc1c2ccccc2[nH]c1C(=O)OC ZINC000004806929 210282344 /nfs/dbraw/zinc/28/23/44/210282344.db2.gz UWEVRTAKFOVNAU-CYBMUJFWSA-N 1 1 343.427 3.158 50 0 EGAAMO Cc1ccc(C[N@H+](C)Cc2c(C)n(C)n(-c3ccccc3)c2=O)o1 ZINC000119659346 221369824 /nfs/dbraw/zinc/36/98/24/221369824.db2.gz QDQNXLNHORJJHG-UHFFFAOYSA-N 1 1 325.412 3.018 50 0 EGAAMO CN(Cc1cscn1)C(=O)[C@H]1C[C@@H](c2ccccc2)[N@H+]2CCC[C@H]12 ZINC000299788217 258094164 /nfs/dbraw/zinc/09/41/64/258094164.db2.gz XUQJYHQSKGNSAP-KSZLIROESA-N 1 1 341.480 3.327 50 0 EGAAMO Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+]3CCCC[C@H]23)n1C(F)F ZINC000299798981 258102288 /nfs/dbraw/zinc/10/22/88/258102288.db2.gz UTTJSBXEACXYAV-UONOGXRCSA-N 1 1 325.403 3.186 50 0 EGAAMO O=C1C[C@@H]([N@@H+]2C[C@@H]3CC=CC[C@@H]3C2)C(=O)N1c1ccc(F)c(Cl)c1 ZINC000100226862 275019742 /nfs/dbraw/zinc/01/97/42/275019742.db2.gz VJXKIVSEPDYYAT-BFQNTYOBSA-N 1 1 348.805 3.009 50 0 EGAAMO COCC[N@H+]1CC[C@@H](CNC(=O)Nc2c(C)cc(Cl)cc2C)C1 ZINC000095497534 277225977 /nfs/dbraw/zinc/22/59/77/277225977.db2.gz PHKKUDBKMRXFOI-AWEZNQCLSA-N 1 1 339.867 3.047 50 0 EGAAMO CO[C@@H]1CC[C@@H]2C[N@@H+]3CCc4c5ccccc5[nH]c4[C@@H]3C[C@@H]2[C@H]1CO ZINC000257357412 277295375 /nfs/dbraw/zinc/29/53/75/277295375.db2.gz NWVMGSHVNNFQRI-WEDJFCISSA-N 1 1 340.467 3.121 50 0 EGAAMO CO[C@@H]1CC[C@@H]2C[N@H+]3CCc4c5ccccc5[nH]c4[C@@H]3C[C@@H]2[C@H]1CO ZINC000257357412 277295376 /nfs/dbraw/zinc/29/53/76/277295376.db2.gz NWVMGSHVNNFQRI-WEDJFCISSA-N 1 1 340.467 3.121 50 0 EGAAMO COc1cc(C[NH2+]Cc2ccco2)cc(Br)c1OC ZINC000007523735 453084237 /nfs/dbraw/zinc/08/42/37/453084237.db2.gz LZBIZXBHAGXOPQ-UHFFFAOYSA-N 1 1 326.190 3.349 50 0 EGAAMO CCOC(=O)c1c[nH+]c2c(C)c(C)ccc2c1NCc1cccnc1 ZINC000008565379 453216061 /nfs/dbraw/zinc/21/60/61/453216061.db2.gz CPZOCUUSPCYKHN-UHFFFAOYSA-N 1 1 335.407 3.457 50 0 EGAAMO COc1cc(NC(=O)C[N@@H+]2CCCC[C@H]2C)c(OC)cc1Cl ZINC000017066893 453627599 /nfs/dbraw/zinc/62/75/99/453627599.db2.gz IBUSTJXAQZCWAU-LLVKDONJSA-N 1 1 326.824 3.170 50 0 EGAAMO COc1cc(NC(=O)C[N@H+]2CCCC[C@H]2C)c(OC)cc1Cl ZINC000017066893 453627604 /nfs/dbraw/zinc/62/76/04/453627604.db2.gz IBUSTJXAQZCWAU-LLVKDONJSA-N 1 1 326.824 3.170 50 0 EGAAMO Cc1ccc(CN2CC[N@H+](Cc3ccc(C)s3)C[C@@H]2CCO)o1 ZINC000019228782 453655054 /nfs/dbraw/zinc/65/50/54/453655054.db2.gz VAITXRSDQNTNEP-INIZCTEOSA-N 1 1 334.485 3.027 50 0 EGAAMO Cc1ccc(CN2CC[N@@H+](Cc3ccc(C)s3)C[C@@H]2CCO)o1 ZINC000019228782 453655058 /nfs/dbraw/zinc/65/50/58/453655058.db2.gz VAITXRSDQNTNEP-INIZCTEOSA-N 1 1 334.485 3.027 50 0 EGAAMO CCC(CC)[N@H+]1CCN(Cc2ccc(OC)c(C)c2)[C@H](CCO)C1 ZINC000022853381 453700360 /nfs/dbraw/zinc/70/03/60/453700360.db2.gz WFGJGKHMIHUCNJ-LJQANCHMSA-N 1 1 334.504 3.061 50 0 EGAAMO CCOc1ccc(C(=O)NCCC[N@H+]2CCc3ccccc3C2)cc1 ZINC000029838834 453832001 /nfs/dbraw/zinc/83/20/01/453832001.db2.gz DNCHDQYBOFHCDC-UHFFFAOYSA-N 1 1 338.451 3.264 50 0 EGAAMO C[NH+]1CCN(C(=O)c2cc(-c3ccc(F)cc3)nc3ccccc32)CC1 ZINC000031809908 453855564 /nfs/dbraw/zinc/85/55/64/453855564.db2.gz UOZVEFVUVJTSMH-UHFFFAOYSA-N 1 1 349.409 3.429 50 0 EGAAMO Cc1ccc2nc(CC[NH2+][C@H]3CCOC4(CCOCC4)C3)[nH]c2c1C ZINC000082099454 453924069 /nfs/dbraw/zinc/92/40/69/453924069.db2.gz ZYQGKJPFIQTNPZ-INIZCTEOSA-N 1 1 343.471 3.040 50 0 EGAAMO CCCn1cc(C[NH+]2CCN(c3cccc(C(C)C)n3)CC2)c(C)n1 ZINC000067540138 453940796 /nfs/dbraw/zinc/94/07/96/453940796.db2.gz YCJWROQNPXEMEA-UHFFFAOYSA-N 1 1 341.503 3.442 50 0 EGAAMO CC(C)n1c2ccccc2nc1C[N@H+]1CC[C@@]2(C1)CCCN(C)C2=O ZINC000067740615 453961405 /nfs/dbraw/zinc/96/14/05/453961405.db2.gz YZSQXAKXGXGGEG-HXUWFJFHSA-N 1 1 340.471 3.062 50 0 EGAAMO Cc1cc(C(=O)N2CCC[N@H+](Cc3ccncc3)CC2)ccc1Cl ZINC000077337904 454093294 /nfs/dbraw/zinc/09/32/94/454093294.db2.gz VCQIHVQPPKREQY-UHFFFAOYSA-N 1 1 343.858 3.392 50 0 EGAAMO Cc1cc(C(=O)N2CCC[N@@H+](Cc3ccncc3)CC2)ccc1Cl ZINC000077337904 454093296 /nfs/dbraw/zinc/09/32/96/454093296.db2.gz VCQIHVQPPKREQY-UHFFFAOYSA-N 1 1 343.858 3.392 50 0 EGAAMO Cc1[nH+]ccn1CC[C@H]1CCCCN1Cc1noc(CC(C)C)n1 ZINC000077504665 454115092 /nfs/dbraw/zinc/11/50/92/454115092.db2.gz PPOMONCOEQXBDE-MRXNPFEDSA-N 1 1 331.464 3.218 50 0 EGAAMO CCc1ocnc1C(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000077506139 454115286 /nfs/dbraw/zinc/11/52/86/454115286.db2.gz PEHXMHFBCGQMIW-UHFFFAOYSA-N 1 1 341.455 3.018 50 0 EGAAMO Cc1ccc(O)c(C(=O)N2CCC[N@@H+](CC3CC3)[C@@H](C(C)C)C2)c1 ZINC000071721539 454211362 /nfs/dbraw/zinc/21/13/62/454211362.db2.gz WANHQSXWUUGMAF-GOSISDBHSA-N 1 1 330.472 3.283 50 0 EGAAMO C[N@H+]1CCC[C@@H]1CCNC(=O)Nc1ccccc1OC(F)(F)F ZINC000095503013 454222092 /nfs/dbraw/zinc/22/20/92/454222092.db2.gz VDULGBBNMRPHID-LLVKDONJSA-N 1 1 331.338 3.191 50 0 EGAAMO CC(=O)N[C@@H]1C[N@H+](Cc2[nH]c3ccccc3c2Cl)C[C@H]1C(C)C ZINC000095499571 454222200 /nfs/dbraw/zinc/22/22/00/454222200.db2.gz POCXTUPUXDFFQU-GOEBONIOSA-N 1 1 333.863 3.414 50 0 EGAAMO CCn1cc(CN2CCC3(C[C@H](c4ccccc4)C[N@H+]3C)CC2)cn1 ZINC000095508585 454224182 /nfs/dbraw/zinc/22/41/82/454224182.db2.gz QRCADZOPQORHHH-FQEVSTJZSA-N 1 1 338.499 3.357 50 0 EGAAMO CCc1nc(C)c(CNC(=O)[C@@H]2CCC[N@@H+](Cc3ccco3)C2)s1 ZINC000095526099 454227698 /nfs/dbraw/zinc/22/76/98/454227698.db2.gz NWFOCLQURDXTFT-CQSZACIVSA-N 1 1 347.484 3.135 50 0 EGAAMO Cc1cccn2cc(C[N@H+]3CCCC[C@@H]3CCN3CCCC3=O)nc12 ZINC000072171212 454273417 /nfs/dbraw/zinc/27/34/17/454273417.db2.gz OZXNXOBUTNAWFY-GOSISDBHSA-N 1 1 340.471 3.010 50 0 EGAAMO OC[C@@]12C[N@@H+](Cc3ccc(F)cc3Cl)C[C@@H]1c1ccccc1OC2 ZINC000096180479 454298589 /nfs/dbraw/zinc/29/85/89/454298589.db2.gz CLQLKYRBUAQZSF-VQIMIIECSA-N 1 1 347.817 3.450 50 0 EGAAMO CO[C@@H](Cn1cc(-c2[nH+]c(C)n3ccccc23)nn1)c1cccs1 ZINC000091303984 454422581 /nfs/dbraw/zinc/42/25/81/454422581.db2.gz RFVBTTMASSBHGN-HNNXBMFYSA-N 1 1 339.424 3.350 50 0 EGAAMO Cc1ccc(NC[C@H]2CCN(c3nccc(C(F)(F)F)n3)C2)[nH+]c1 ZINC000097200962 454424177 /nfs/dbraw/zinc/42/41/77/454424177.db2.gz YXYOLKRTGLBBRY-GFCCVEGCSA-N 1 1 337.349 3.137 50 0 EGAAMO Cc1cccc(-c2n[nH]cc2C(=O)N2CC([N@@H+]3CCCC[C@@H]3C)C2)c1 ZINC000097217562 454425789 /nfs/dbraw/zinc/42/57/89/454425789.db2.gz SYKDDGNJBFDFFA-HNNXBMFYSA-N 1 1 338.455 3.084 50 0 EGAAMO COCC[C@]1(O)CC[N@@H+](Cc2cnc(-c3ccccc3)s2)C[C@H]1C ZINC000091643229 454454753 /nfs/dbraw/zinc/45/47/53/454454753.db2.gz SOEHJCHSAROCBH-DNVCBOLYSA-N 1 1 346.496 3.420 50 0 EGAAMO Cc1[nH+]c2cc3c(cc2n1CC(=O)Nc1cccc(C)c1)OCCO3 ZINC000064794989 454505476 /nfs/dbraw/zinc/50/54/76/454505476.db2.gz KPNLEGWUACAREW-UHFFFAOYSA-N 1 1 337.379 3.063 50 0 EGAAMO CC(C)[N@H+]1CCN(Cc2cnc(-c3ccccc3)s2)C[C@H]1CCO ZINC000105111019 454623052 /nfs/dbraw/zinc/62/30/52/454623052.db2.gz MJVZWTZKWIDRCZ-QGZVFWFLSA-N 1 1 345.512 3.087 50 0 EGAAMO O=C(NC[C@@H]1CCC[N@H+]2CCCC[C@@H]12)c1cc(-c2ccccc2)n[nH]1 ZINC000169680670 454930296 /nfs/dbraw/zinc/93/02/96/454930296.db2.gz CBTDZZQHBUWVLX-LPHOPBHVSA-N 1 1 338.455 3.071 50 0 EGAAMO COCCn1cncc1C[N@H+]1CCC[C@@H](Cc2ccc(F)cc2)C1 ZINC000252500572 455815749 /nfs/dbraw/zinc/81/57/49/455815749.db2.gz SXZXLPHYUZDAJT-KRWDZBQOSA-N 1 1 331.435 3.123 50 0 EGAAMO C[C@H]1CCC[N@@H+](CCNC(=O)N(C)Cc2cccc3ncccc23)C1 ZINC000534663399 459344769 /nfs/dbraw/zinc/34/47/69/459344769.db2.gz BUGVTPWWSIKBCX-INIZCTEOSA-N 1 1 340.471 3.108 50 0 EGAAMO CC(=O)c1cc(C[N@H+]2CCC[C@@H](c3nc4ccccc4[nH]3)C2)n(C)c1 ZINC000215746367 534817586 /nfs/dbraw/zinc/81/75/86/534817586.db2.gz CVLXZRQXXRXJGZ-OAHLLOKOSA-N 1 1 336.439 3.484 50 0 EGAAMO Cc1nc(CC[N@@H+]2CCC[C@]3(C2)c2ccccc2N(C)C3=O)cs1 ZINC000244852732 526812821 /nfs/dbraw/zinc/81/28/21/526812821.db2.gz UXOVFSIMNBMKHJ-IBGZPJMESA-N 1 1 341.480 3.004 50 0 EGAAMO COc1cc(C[N@@H+]2CCC[C@H](NC(C)=O)C2)ccc1OCC=C(C)C ZINC000216450364 536757712 /nfs/dbraw/zinc/75/77/12/536757712.db2.gz WFZNWDPBGNOMQT-SFHVURJKSA-N 1 1 346.471 3.141 50 0 EGAAMO COc1cc(C[N@H+]2CCC[C@H](NC(C)=O)C2)ccc1OCC=C(C)C ZINC000216450364 536757714 /nfs/dbraw/zinc/75/77/14/536757714.db2.gz WFZNWDPBGNOMQT-SFHVURJKSA-N 1 1 346.471 3.141 50 0 EGAAMO C[N@H+]1CC[C@@](C)(C(=O)NCc2cc(COc3ccccc3)cs2)C1 ZINC000670449441 548217216 /nfs/dbraw/zinc/21/72/16/548217216.db2.gz WRJPXYBSYBECJV-LJQANCHMSA-N 1 1 344.480 3.285 50 0 EGAAMO Cc1nnc([C@@H]2CCC[N@H+](C3CCN(c4cccc(C)c4)CC3)C2)[nH]1 ZINC000670455606 548218544 /nfs/dbraw/zinc/21/85/44/548218544.db2.gz JBJXNQPQSNKRQE-QGZVFWFLSA-N 1 1 339.487 3.270 50 0 EGAAMO Cc1n[nH]c([C@@H]2CCC[N@@H+](C3CCN(c4cccc(C)c4)CC3)C2)n1 ZINC000670455606 548218551 /nfs/dbraw/zinc/21/85/51/548218551.db2.gz JBJXNQPQSNKRQE-QGZVFWFLSA-N 1 1 339.487 3.270 50 0 EGAAMO Cc1n[nH]c([C@@H]2CCC[N@H+](C3CCN(c4cccc(C)c4)CC3)C2)n1 ZINC000670455606 548218555 /nfs/dbraw/zinc/21/85/55/548218555.db2.gz JBJXNQPQSNKRQE-QGZVFWFLSA-N 1 1 339.487 3.270 50 0 EGAAMO Cc1nc([C@@H]2CCC[N@@H+](C3CCN(c4cccc(C)c4)CC3)C2)n[nH]1 ZINC000670455606 548218556 /nfs/dbraw/zinc/21/85/56/548218556.db2.gz JBJXNQPQSNKRQE-QGZVFWFLSA-N 1 1 339.487 3.270 50 0 EGAAMO Cc1nc([C@@H]2CCC[N@H+](C3CCN(c4cccc(C)c4)CC3)C2)n[nH]1 ZINC000670455606 548218559 /nfs/dbraw/zinc/21/85/59/548218559.db2.gz JBJXNQPQSNKRQE-QGZVFWFLSA-N 1 1 339.487 3.270 50 0 EGAAMO Cc1nc(CC[C@@H]2CCC[N@H+]3CCCC[C@H]23)n(-c2cc[nH+]cc2)n1 ZINC000670466337 548220648 /nfs/dbraw/zinc/22/06/48/548220648.db2.gz RRDSFWMHHSGQMF-FUHWJXTLSA-N 1 1 325.460 3.168 50 0 EGAAMO Cc1nc(CC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)n(-c2ccncc2)n1 ZINC000670466337 548220652 /nfs/dbraw/zinc/22/06/52/548220652.db2.gz RRDSFWMHHSGQMF-FUHWJXTLSA-N 1 1 325.460 3.168 50 0 EGAAMO Cc1nc(CC[C@@H]2CCC[N@H+]3CCCC[C@H]23)n(-c2ccncc2)n1 ZINC000670466337 548220654 /nfs/dbraw/zinc/22/06/54/548220654.db2.gz RRDSFWMHHSGQMF-FUHWJXTLSA-N 1 1 325.460 3.168 50 0 EGAAMO Cc1nc(-c2cccc(C(=O)N3CCC[N@H+]4CCC[C@H]4C3)c2)c(C)[nH]1 ZINC000584884493 564131453 /nfs/dbraw/zinc/13/14/53/564131453.db2.gz AMVGYGVCMMBCQZ-SFHVURJKSA-N 1 1 338.455 3.004 50 0 EGAAMO Cc1nc(C)c(-c2cccc(C(=O)N3CCC[N@@H+]4CCC[C@H]4C3)c2)[nH]1 ZINC000584884493 564131454 /nfs/dbraw/zinc/13/14/54/564131454.db2.gz AMVGYGVCMMBCQZ-SFHVURJKSA-N 1 1 338.455 3.004 50 0 EGAAMO Cc1nc(C)c(-c2cccc(C(=O)N3CCC[N@H+]4CCC[C@H]4C3)c2)[nH]1 ZINC000584884493 564131455 /nfs/dbraw/zinc/13/14/55/564131455.db2.gz AMVGYGVCMMBCQZ-SFHVURJKSA-N 1 1 338.455 3.004 50 0 EGAAMO COc1ccc(N[C@@H]2CCC[N@@H+](Cc3cccc(C)n3)C2)cc1OC ZINC000012319414 1291132205 /nfs/dbraw/zinc/13/22/05/1291132205.db2.gz IBTGHPVJYMMYSV-GOSISDBHSA-N 1 1 341.455 3.484 50 0 EGAAMO CN(C(=O)CCC(F)(F)F)[C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000012297182 1291132219 /nfs/dbraw/zinc/13/22/19/1291132219.db2.gz YRFCVFYFURKWKJ-MRXNPFEDSA-N 1 1 342.405 3.494 50 0 EGAAMO Cc1n[nH]c(C)c1CCC[N@H+](C)C[C@@]1(c2cccc(F)c2)CCOC1 ZINC000019883666 1291193389 /nfs/dbraw/zinc/19/33/89/1291193389.db2.gz WLXVZRGPPRFUGB-FQEVSTJZSA-N 1 1 345.462 3.388 50 0 EGAAMO CCn1cncc1CN1CCC([C@@H]2CC[N@H+](CC(C)(C)C)C2)CC1 ZINC000019743531 1291193652 /nfs/dbraw/zinc/19/36/52/1291193652.db2.gz RFALVZXAAZESIM-GOSISDBHSA-N 1 1 332.536 3.483 50 0 EGAAMO CCn1cncc1CN1CCC([C@@H]2CC[N@@H+](CC(C)(C)C)C2)CC1 ZINC000019743531 1291193657 /nfs/dbraw/zinc/19/36/57/1291193657.db2.gz RFALVZXAAZESIM-GOSISDBHSA-N 1 1 332.536 3.483 50 0 EGAAMO CN1CC[NH+](CCOCCOc2ccc(Cl)c3ccccc23)CC1 ZINC000022184756 1291210276 /nfs/dbraw/zinc/21/02/76/1291210276.db2.gz XYKOPVCQIOMBHF-UHFFFAOYSA-N 1 1 348.874 3.136 50 0 EGAAMO CCn1cc(C[N@@H+]2CCc3[nH]nc(-c4ccccc4F)c3C2)c(C)n1 ZINC000043071672 1291451740 /nfs/dbraw/zinc/45/17/40/1291451740.db2.gz LGZCHKMEMPROFE-UHFFFAOYSA-N 1 1 339.418 3.299 50 0 EGAAMO CCn1cc(C[N@H+]2CCc3[nH]nc(-c4ccccc4F)c3C2)c(C)n1 ZINC000043071672 1291451745 /nfs/dbraw/zinc/45/17/45/1291451745.db2.gz LGZCHKMEMPROFE-UHFFFAOYSA-N 1 1 339.418 3.299 50 0 EGAAMO CCc1nc(N2CCC[C@@H](C(=O)c3ccccc3OC)C2)cc(C)[nH+]1 ZINC000071405810 1292267658 /nfs/dbraw/zinc/26/76/58/1292267658.db2.gz QMIIRBDSGGIHDE-OAHLLOKOSA-N 1 1 339.439 3.455 50 0 EGAAMO O=C(N[C@H]1CC[N@H+](Cc2ccsc2)C1)c1cc2ccccc2o1 ZINC000618256508 1298099309 /nfs/dbraw/zinc/09/93/09/1298099309.db2.gz JJDDCXGOUDHBGV-HNNXBMFYSA-N 1 1 326.421 3.499 50 0 EGAAMO O=C(N[C@H]1CC[N@@H+](Cc2ccsc2)C1)c1cc2ccccc2o1 ZINC000618256508 1298099323 /nfs/dbraw/zinc/09/93/23/1298099323.db2.gz JJDDCXGOUDHBGV-HNNXBMFYSA-N 1 1 326.421 3.499 50 0 EGAAMO C[N@H+]1CCCCC[C@@H]1C(=O)N1CCC(c2nc3ccccc3o2)CC1 ZINC000823778619 1320206656 /nfs/dbraw/zinc/20/66/56/1320206656.db2.gz FAXFQMTWKFOGCY-QGZVFWFLSA-N 1 1 341.455 3.408 50 0 EGAAMO Cc1cc(NC(=O)CC[C@@H]2CCCC[N@@H+]2C)ccc1N1CCCC1=O ZINC000952870413 1334583643 /nfs/dbraw/zinc/58/36/43/1334583643.db2.gz ZXJDKXVYPQOHLU-KRWDZBQOSA-N 1 1 343.471 3.325 50 0 EGAAMO CC[C@@H]1C=CC[N@@H+]1Cc1cc(C)cc(CN2CCN(C)CC2)c1C ZINC000952964768 1334626107 /nfs/dbraw/zinc/62/61/07/1334626107.db2.gz QIWQBFDZLJHATC-OAQYLSRUSA-N 1 1 327.516 3.201 50 0 EGAAMO CC[C@@H]1C=CC[N@H+]1Cc1cc(C)cc(CN2CCN(C)CC2)c1C ZINC000952964768 1334626111 /nfs/dbraw/zinc/62/61/11/1334626111.db2.gz QIWQBFDZLJHATC-OAQYLSRUSA-N 1 1 327.516 3.201 50 0 EGAAMO O=C(N[C@@H]1CC[N@@H+](Cc2ccsc2)C1)c1ccc(Cl)s1 ZINC001016171944 1338490246 /nfs/dbraw/zinc/49/02/46/1338490246.db2.gz PYJMCNNQZWWVHB-LLVKDONJSA-N 1 1 326.874 3.467 50 0 EGAAMO O=C(N[C@@H]1CC[N@H+](Cc2ccsc2)C1)c1ccc(Cl)s1 ZINC001016171944 1338490244 /nfs/dbraw/zinc/49/02/44/1338490244.db2.gz PYJMCNNQZWWVHB-LLVKDONJSA-N 1 1 326.874 3.467 50 0 EGAAMO COCC[N@H+]1CC[C@H](CN(C)c2nc(-c3ccc(F)cc3)cs2)C1 ZINC001704312591 1416439017 /nfs/dbraw/zinc/43/90/17/1416439017.db2.gz GEHWZHHUNDLANR-CQSZACIVSA-N 1 1 349.475 3.354 50 0 EGAAMO CC(=O)c1cc(C[NH+]2CCC3(CC2)OCCc2ccsc23)n(C)c1 ZINC001704342145 1416449544 /nfs/dbraw/zinc/44/95/44/1416449544.db2.gz IUQAQHPVQYLXOQ-UHFFFAOYSA-N 1 1 344.480 3.353 50 0 EGAAMO COc1cc(C[N@H+](Cc2cnc(SC)nc2)C2CC2)ccc1O ZINC001704347913 1416451633 /nfs/dbraw/zinc/45/16/33/1416451633.db2.gz HZLDNOMVCUOFGE-UHFFFAOYSA-N 1 1 331.441 3.077 50 0 EGAAMO COc1cc(C[N@@H+](Cc2cnc(SC)nc2)C2CC2)ccc1O ZINC001704347913 1416451637 /nfs/dbraw/zinc/45/16/37/1416451637.db2.gz HZLDNOMVCUOFGE-UHFFFAOYSA-N 1 1 331.441 3.077 50 0 EGAAMO Cc1ccccc1CSc1nc(NC[C@@H]2CCCO2)cc(N)[nH+]1 ZINC001772706870 1441417152 /nfs/dbraw/zinc/41/71/52/1441417152.db2.gz YFYYCYNPLYXQQD-AWEZNQCLSA-N 1 1 330.457 3.250 50 0 EGAAMO Cc1ccccc1CSc1nc(N)cc(NC[C@@H]2CCCO2)[nH+]1 ZINC001772706870 1441417153 /nfs/dbraw/zinc/41/71/53/1441417153.db2.gz YFYYCYNPLYXQQD-AWEZNQCLSA-N 1 1 330.457 3.250 50 0 EGAAMO Cc1sc2ccccc2c1C[N@@H+]1CC[C@H](N2CCN(C)CC2)C1 ZINC000097636532 219043323 /nfs/dbraw/zinc/04/33/23/219043323.db2.gz JGZWMTGRNTVNPN-INIZCTEOSA-N 1 1 329.513 3.031 50 0 EGAAMO Cc1nc[nH]c1C[N@H+]1C[C@H](c2ccc(C)cc2)[C@@H]2[C@H]1C1CCN2CC1 ZINC000072144010 282139897 /nfs/dbraw/zinc/13/98/97/282139897.db2.gz DEYGMLJASBMKNA-HMXCVIKNSA-N 1 1 336.483 3.089 50 0 EGAAMO Cc1nc[nH]c1CN1C[C@H](c2ccc(C)cc2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000072144010 282139898 /nfs/dbraw/zinc/13/98/98/282139898.db2.gz DEYGMLJASBMKNA-HMXCVIKNSA-N 1 1 336.483 3.089 50 0 EGAAMO CC[NH+]1CCN(C(=O)c2cccc(NCc3ccc(C)s3)c2)CC1 ZINC000055154456 214279757 /nfs/dbraw/zinc/27/97/57/214279757.db2.gz QEECWSRRWYCFLY-UHFFFAOYSA-N 1 1 343.496 3.446 50 0 EGAAMO CC(C)C[C@H]([NH2+]Cc1c[nH]nc1-c1ccc(F)cc1)c1ncnn1C ZINC000055154531 214279970 /nfs/dbraw/zinc/27/99/70/214279970.db2.gz BPUOUBVKEVIWRJ-INIZCTEOSA-N 1 1 342.422 3.221 50 0 EGAAMO Cc1cc(C)cc(OCCN(C)C(=O)CC[C@H]2CCC[N@@H+](C)C2)c1 ZINC000055199809 214288876 /nfs/dbraw/zinc/28/88/76/214288876.db2.gz MYMOAANALATYKX-GOSISDBHSA-N 1 1 332.488 3.263 50 0 EGAAMO CC(C)c1csc(C[N@H+]2CC[C@]3(C2)CCCN(CC2CC2)C3=O)n1 ZINC000055343797 214310035 /nfs/dbraw/zinc/31/00/35/214310035.db2.gz NZHPLCLAMKGBSX-IBGZPJMESA-N 1 1 347.528 3.491 50 0 EGAAMO Cc1nn(C)c(N(C)C)c1C[NH2+][C@@H]1CCOc2c(Cl)cccc21 ZINC000065478852 282268363 /nfs/dbraw/zinc/26/83/63/282268363.db2.gz RVOCTIUDYHEVJI-OAHLLOKOSA-N 1 1 334.851 3.061 50 0 EGAAMO C[C@@H]1C[C@@](O)(CC(O)(c2ccccc2)c2ccccc2)[C@H](C)C[N@H+]1C ZINC000004474070 210197136 /nfs/dbraw/zinc/19/71/36/210197136.db2.gz RICXMDIFJNHTOE-DBXWQHBBSA-N 1 1 339.479 3.404 50 0 EGAAMO C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@]1(O)CC(O)(c1ccccc1)c1ccccc1 ZINC000004474071 210196634 /nfs/dbraw/zinc/19/66/34/210196634.db2.gz RICXMDIFJNHTOE-LVCYWYKZSA-N 1 1 339.479 3.404 50 0 EGAAMO Cc1nn2c(nc(C)cc2NCCC2=CSC3=[NH+]CCCN23)c1C ZINC000102155625 219188218 /nfs/dbraw/zinc/18/82/18/219188218.db2.gz NHSHKNUSNYTILE-UHFFFAOYSA-N 1 1 342.472 3.106 50 0 EGAAMO COC(=O)CC[N@@H+]1CCOc2c(O)cc(-c3ccc(C)cc3)cc2C1 ZINC000067712705 215191225 /nfs/dbraw/zinc/19/12/25/215191225.db2.gz UPMFQUXJVTYHGO-UHFFFAOYSA-N 1 1 341.407 3.125 50 0 EGAAMO COC(=O)CC[N@H+]1CCOc2c(O)cc(-c3ccc(C)cc3)cc2C1 ZINC000067712705 215191227 /nfs/dbraw/zinc/19/12/27/215191227.db2.gz UPMFQUXJVTYHGO-UHFFFAOYSA-N 1 1 341.407 3.125 50 0 EGAAMO Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C[N@H+](C)CCCO ZINC000067688891 215186112 /nfs/dbraw/zinc/18/61/12/215186112.db2.gz IBHDESMYVJTIDA-UHFFFAOYSA-N 1 1 328.334 3.483 50 0 EGAAMO Cc1oc(-c2cccc(C(F)(F)F)c2)nc1C[N@@H+](C)CCCO ZINC000067688891 215186115 /nfs/dbraw/zinc/18/61/15/215186115.db2.gz IBHDESMYVJTIDA-UHFFFAOYSA-N 1 1 328.334 3.483 50 0 EGAAMO O=C(Nc1cnc2n1CCCC2)[C@@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000067725226 215196403 /nfs/dbraw/zinc/19/64/03/215196403.db2.gz YMZGFJCLGMFHPZ-OAHLLOKOSA-N 1 1 330.476 3.203 50 0 EGAAMO Cc1cc(C[N@H+](C)Cc2cccc3ncccc23)c(C)n1-n1cnnc1 ZINC000067773210 215209454 /nfs/dbraw/zinc/20/94/54/215209454.db2.gz CARDGSXRFHNMQV-UHFFFAOYSA-N 1 1 346.438 3.188 50 0 EGAAMO COc1cccc(-c2c[nH]nc2C2CC[NH+](Cc3c[nH]cn3)CC2)c1 ZINC000067856106 215232809 /nfs/dbraw/zinc/23/28/09/215232809.db2.gz DAXRJIABPJRASI-UHFFFAOYSA-N 1 1 337.427 3.188 50 0 EGAAMO COc1cc(-c2nc(C[N@H+]3CCC[C@@H]3C)c(C)o2)cc2c1OCO2 ZINC000067973628 215263850 /nfs/dbraw/zinc/26/38/50/215263850.db2.gz HAPXEBVDGZTTNR-NSHDSACASA-N 1 1 330.384 3.372 50 0 EGAAMO CSCC[C@@H]1c2[nH]cnc2CC[N@H+]1Cc1ccc(NC(C)=O)cc1 ZINC000067975165 215265174 /nfs/dbraw/zinc/26/51/74/215265174.db2.gz GKLXBCUSVYFLSY-QGZVFWFLSA-N 1 1 344.484 3.221 50 0 EGAAMO CSCC[C@@H]1c2[nH]cnc2CC[N@@H+]1Cc1ccc(NC(C)=O)cc1 ZINC000067975165 215265177 /nfs/dbraw/zinc/26/51/77/215265177.db2.gz GKLXBCUSVYFLSY-QGZVFWFLSA-N 1 1 344.484 3.221 50 0 EGAAMO CC(C)=CC[N@H+]1CCN(Cc2c[nH]c3ccccc23)C[C@H]1CCO ZINC000104402469 219383059 /nfs/dbraw/zinc/38/30/59/219383059.db2.gz NUCGXLZUQVTAJD-GOSISDBHSA-N 1 1 327.472 3.003 50 0 EGAAMO CC(C)=CCN1CC[N@@H+](Cc2c[nH]c3ccccc23)C[C@H]1CCO ZINC000104402469 219383065 /nfs/dbraw/zinc/38/30/65/219383065.db2.gz NUCGXLZUQVTAJD-GOSISDBHSA-N 1 1 327.472 3.003 50 0 EGAAMO CCNc1ncc(C[N@H+]2CCC[C@H](COc3ccc(F)cc3)C2)cn1 ZINC000072131820 216021155 /nfs/dbraw/zinc/02/11/55/216021155.db2.gz PFNWULZZCRCFSJ-HNNXBMFYSA-N 1 1 344.434 3.339 50 0 EGAAMO CN1C[C@@]2(CCC[N@@H+](CCCCOCc3ccccc3)CC2)OC1=O ZINC000072140284 216026234 /nfs/dbraw/zinc/02/62/34/216026234.db2.gz OYASFUUPMCACEC-FQEVSTJZSA-N 1 1 346.471 3.290 50 0 EGAAMO COc1ccccc1[C@@H]1C[N@@H+](C2CCCC2)[C@H]2[C@@H]1N1CCC2CC1 ZINC000072144024 216029680 /nfs/dbraw/zinc/02/96/80/216029680.db2.gz XBKALDXMHABHQC-CEWLAPEOSA-N 1 1 326.484 3.500 50 0 EGAAMO c1csc(C[N@@H+]2CCCN(Cc3ccc(-c4cc[nH]n4)o3)CC2)c1 ZINC000072154905 216044306 /nfs/dbraw/zinc/04/43/06/216044306.db2.gz BQZPLOLMLVJAFS-UHFFFAOYSA-N 1 1 342.468 3.439 50 0 EGAAMO c1csc(CN2CCC[N@H+](Cc3ccc(-c4cc[nH]n4)o3)CC2)c1 ZINC000072154905 216044308 /nfs/dbraw/zinc/04/43/08/216044308.db2.gz BQZPLOLMLVJAFS-UHFFFAOYSA-N 1 1 342.468 3.439 50 0 EGAAMO c1csc(CN2CCC[N@@H+](Cc3ccc(-c4cc[nH]n4)o3)CC2)c1 ZINC000072154905 216044310 /nfs/dbraw/zinc/04/43/10/216044310.db2.gz BQZPLOLMLVJAFS-UHFFFAOYSA-N 1 1 342.468 3.439 50 0 EGAAMO COCCc1noc([C@H]2CCC[N@@H+](Cc3ccc(SC)cc3)C2)n1 ZINC000072167296 216057351 /nfs/dbraw/zinc/05/73/51/216057351.db2.gz CJIKFPJKBYSWPB-HNNXBMFYSA-N 1 1 347.484 3.360 50 0 EGAAMO C[N@@H+](Cc1cnc(N2CCOCC2)s1)[C@@H]1CCCc2ccccc21 ZINC000072168207 216059552 /nfs/dbraw/zinc/05/95/52/216059552.db2.gz FBYCFCSZNQVMAM-GOSISDBHSA-N 1 1 343.496 3.489 50 0 EGAAMO COCCC[N@@H+](Cc1ccc2ccn(C)c2c1)C1CCN(C)CC1 ZINC000072406726 216197025 /nfs/dbraw/zinc/19/70/25/216197025.db2.gz VTBLAJVGCPVLOM-UHFFFAOYSA-N 1 1 329.488 3.111 50 0 EGAAMO CCn1cc(C[N@H+]2CCC[C@@H](C(=O)CCc3ccccc3)C2)cn1 ZINC000072411455 216204135 /nfs/dbraw/zinc/20/41/35/216204135.db2.gz SFUWQBGMRVYTQZ-LJQANCHMSA-N 1 1 325.456 3.317 50 0 EGAAMO Fc1ccc(C[N@H+]2CCC[C@]3(CCN(c4cnccn4)C3)C2)cc1 ZINC000072411713 216204428 /nfs/dbraw/zinc/20/44/28/216204428.db2.gz CSCLMGAWNAHCKI-IBGZPJMESA-N 1 1 326.419 3.108 50 0 EGAAMO Cc1cc2nc(C)cc(NC[C@@H]3CCC[N@@H+](Cc4ccco4)C3)n2n1 ZINC000072432076 216225765 /nfs/dbraw/zinc/22/57/65/216225765.db2.gz PEGWQQXXZJENAX-INIZCTEOSA-N 1 1 339.443 3.263 50 0 EGAAMO COc1cccc(-c2nccn2CCNc2[nH+]cccc2C)c1OC ZINC000072480288 216259506 /nfs/dbraw/zinc/25/95/06/216259506.db2.gz DUXBJYOMRMSFLY-UHFFFAOYSA-N 1 1 338.411 3.383 50 0 EGAAMO CC(C)/C=C/CN1CC[N@@H+](CCCc2ccccc2)[C@@H](CCO)C1 ZINC000023375184 212373221 /nfs/dbraw/zinc/37/32/21/212373221.db2.gz FDYYEEPYCYWUDK-PVHVJQTOSA-N 1 1 330.516 3.200 50 0 EGAAMO CCOc1ccccc1CN1CC[N@H+](C2CCCCC2)C[C@@H]1CCO ZINC000023358356 212370119 /nfs/dbraw/zinc/37/01/19/212370119.db2.gz VXOXCYAPUDDVOF-FQEVSTJZSA-N 1 1 346.515 3.287 50 0 EGAAMO COc1ccc(CN2CC[N@@H+](CC(C)(C)C)C[C@@H]2CCO)c(C)c1C ZINC000022852483 212329116 /nfs/dbraw/zinc/32/91/16/212329116.db2.gz HQMAHIONGBDGED-IBGZPJMESA-N 1 1 348.531 3.227 50 0 EGAAMO C[N@H+](Cc1ccc(-n2cccn2)cc1)Cc1cc(=O)c2ccccc2[nH]1 ZINC000215295660 241118021 /nfs/dbraw/zinc/11/80/21/241118021.db2.gz DQTYJUVMJFXJPA-UHFFFAOYSA-N 1 1 344.418 3.346 50 0 EGAAMO CCOc1cc(CN2CCC[N@H+]3CCC[C@H]3C2)c(Cl)cc1OC ZINC000216122733 241168606 /nfs/dbraw/zinc/16/86/06/241168606.db2.gz XBNMILSSWOZITJ-HNNXBMFYSA-N 1 1 338.879 3.417 50 0 EGAAMO CCOc1ccc(CC(=O)NC[C@@H]2CCC[N@H+]3CCCC[C@@H]23)cc1 ZINC000226848294 242114349 /nfs/dbraw/zinc/11/43/49/242114349.db2.gz YVKNZDBOSHHBDD-HKUYNNGSSA-N 1 1 330.472 3.009 50 0 EGAAMO Clc1ccccc1[C@H]1CC[N@H+](Cc2nc(-c3cnccn3)no2)C1 ZINC000020994988 212196401 /nfs/dbraw/zinc/19/64/01/212196401.db2.gz BKADKYUKGJPPLK-LBPRGKRZSA-N 1 1 341.802 3.170 50 0 EGAAMO Clc1ccccc1[C@H]1CC[N@@H+](Cc2nc(-c3cnccn3)no2)C1 ZINC000020994988 212196405 /nfs/dbraw/zinc/19/64/05/212196405.db2.gz BKADKYUKGJPPLK-LBPRGKRZSA-N 1 1 341.802 3.170 50 0 EGAAMO Cc1ccc2[nH]c(C[NH+]3CCC(OCc4ccccn4)CC3)nc2c1 ZINC000244715992 243065899 /nfs/dbraw/zinc/06/58/99/243065899.db2.gz LGLLZOQAUMHPJL-UHFFFAOYSA-N 1 1 336.439 3.448 50 0 EGAAMO Cc1oc(-c2ccc(Cl)cc2)nc1C[N@H+](C)C[C@H]1COCCO1 ZINC000020858731 212177431 /nfs/dbraw/zinc/17/74/31/212177431.db2.gz TWEQASDGEFKYBK-HNNXBMFYSA-N 1 1 336.819 3.151 50 0 EGAAMO Cc1oc(-c2ccc(Cl)cc2)nc1C[N@@H+](C)C[C@H]1COCCO1 ZINC000020858731 212177433 /nfs/dbraw/zinc/17/74/33/212177433.db2.gz TWEQASDGEFKYBK-HNNXBMFYSA-N 1 1 336.819 3.151 50 0 EGAAMO Cc1ccc(O[C@@H](C)C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000020568002 212147942 /nfs/dbraw/zinc/14/79/42/212147942.db2.gz UOSKCWOBFONTAO-SFHVURJKSA-N 1 1 338.451 3.107 50 0 EGAAMO COC[C@H](C)NC(=O)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000020567876 212148021 /nfs/dbraw/zinc/14/80/21/212148021.db2.gz TUNBOPUGZIAFJZ-INIZCTEOSA-N 1 1 338.451 3.010 50 0 EGAAMO OCCOc1cccc(CN[C@H]2CCC[N@@H+](CC3CCCCC3)C2)c1 ZINC000020536353 212144553 /nfs/dbraw/zinc/14/45/53/212144553.db2.gz UBCFZZHRNYBIBB-FQEVSTJZSA-N 1 1 346.515 3.192 50 0 EGAAMO OCCOc1cccc(C[NH2+][C@H]2CCCN(CC3CCCCC3)C2)c1 ZINC000020536353 212144556 /nfs/dbraw/zinc/14/45/56/212144556.db2.gz UBCFZZHRNYBIBB-FQEVSTJZSA-N 1 1 346.515 3.192 50 0 EGAAMO COc1cccc(NC(=O)N2CC[NH+](Cc3ccc(C)cc3)CC2)c1 ZINC000020367183 212123662 /nfs/dbraw/zinc/12/36/62/212123662.db2.gz ITMMYMYNXCJDHM-UHFFFAOYSA-N 1 1 339.439 3.353 50 0 EGAAMO C[C@H]1CCC[N@@H+](CCC(=O)N(C)C[C@@H]2CCN(c3ccccc3)C2)C1 ZINC000020255664 212114704 /nfs/dbraw/zinc/11/47/04/212114704.db2.gz ILZRYQYMGSQCGN-OALUTQOASA-N 1 1 343.515 3.093 50 0 EGAAMO C/C=C/c1ccc(OCCOCC[NH+]2C[C@@H](C)O[C@H](C)C2)c(OC)c1 ZINC000020167052 212108073 /nfs/dbraw/zinc/10/80/73/212108073.db2.gz QZPNPMONMNIHHH-SDKBWNRFSA-N 1 1 349.471 3.233 50 0 EGAAMO Cc1cc(Br)ccc1OCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000020168548 212108879 /nfs/dbraw/zinc/10/88/79/212108879.db2.gz YFMRKJXMKKLHBB-CHWSQXEVSA-N 1 1 328.250 3.246 50 0 EGAAMO CCCOc1ccc2[nH]c(C)c(CN3CC[NH+](CC)CC3)c(=O)c2c1 ZINC000019793231 212067369 /nfs/dbraw/zinc/06/73/69/212067369.db2.gz GBWKMYKMEQXTTH-UHFFFAOYSA-N 1 1 343.471 3.175 50 0 EGAAMO COc1ccc(C[NH+]2CCN(Cc3cccc(OC)c3)CC2)cc1 ZINC000019555377 212041100 /nfs/dbraw/zinc/04/11/00/212041100.db2.gz GDNKZTYKCLJVKS-UHFFFAOYSA-N 1 1 326.440 3.022 50 0 EGAAMO COc1ccc(CN2CC[NH+](Cc3cccc(OC)c3)CC2)cc1 ZINC000019555377 212041102 /nfs/dbraw/zinc/04/11/02/212041102.db2.gz GDNKZTYKCLJVKS-UHFFFAOYSA-N 1 1 326.440 3.022 50 0 EGAAMO Cc1ccc(-c2cc(C(=O)NC[C@@H](c3ccco3)[NH+](C)C)no2)cc1 ZINC000015859727 211861310 /nfs/dbraw/zinc/86/13/10/211861310.db2.gz SDFWGDMFOIUQAA-INIZCTEOSA-N 1 1 339.395 3.276 50 0 EGAAMO Cc1ccc([C@H](CNC(=O)COc2ccccc2Cl)[NH+](C)C)o1 ZINC000015860121 211861353 /nfs/dbraw/zinc/86/13/53/211861353.db2.gz SXBDYFHJTQQJCL-AWEZNQCLSA-N 1 1 336.819 3.039 50 0 EGAAMO CCCNC(=O)N(C)C[C@@H]1CCC[N@@H+](CCc2ccc(OC)cc2)C1 ZINC000012073410 211286326 /nfs/dbraw/zinc/28/63/26/211286326.db2.gz OCJGIIFWTBDBAM-SFHVURJKSA-N 1 1 347.503 3.001 50 0 EGAAMO CCCNC(=O)N(C)C[C@H]1CCC[N@@H+](CCc2ccc(OC)cc2)C1 ZINC000012073413 211285758 /nfs/dbraw/zinc/28/57/58/211285758.db2.gz OCJGIIFWTBDBAM-GOSISDBHSA-N 1 1 347.503 3.001 50 0 EGAAMO CCOC(=O)[C@@]1(CCOC)CCC[N@@H+](Cc2cccc(F)c2F)C1 ZINC000012029054 211281713 /nfs/dbraw/zinc/28/17/13/211281713.db2.gz KURNSCSWVBSKDM-GOSISDBHSA-N 1 1 341.398 3.147 50 0 EGAAMO COc1ccc(/C=C/C[N@H+]2CC[C@@](O)(C3CCOCC3)[C@H](C)C2)cc1 ZINC000091382242 218000469 /nfs/dbraw/zinc/00/04/69/218000469.db2.gz ZUDPYLPIIKSCNQ-RSMHPUSESA-N 1 1 345.483 3.208 50 0 EGAAMO C[N@@H+](C[C@@H]1CCCN(CCc2ccccc2F)C1)C1CCOCC1 ZINC000011878154 211262341 /nfs/dbraw/zinc/26/23/41/211262341.db2.gz QFDKPXKLRTYTIL-KRWDZBQOSA-N 1 1 334.479 3.191 50 0 EGAAMO C[N@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1ccc(N3CCCC3)c(Cl)c1)C2 ZINC000091526421 218017588 /nfs/dbraw/zinc/01/75/88/218017588.db2.gz CHTGGBUKSRNWLL-GDBMZVCRSA-N 1 1 347.890 3.106 50 0 EGAAMO COCC[C@]1(CO)CCC[N@H+](Cc2cc(C(F)(F)F)ccc2F)C1 ZINC000091536964 218018966 /nfs/dbraw/zinc/01/89/66/218018966.db2.gz JAMCUOBQNHMGIB-MRXNPFEDSA-N 1 1 349.368 3.456 50 0 EGAAMO COCC[C@]1(CO)CCC[N@@H+](Cc2cc(C(F)(F)F)ccc2F)C1 ZINC000091536964 218018967 /nfs/dbraw/zinc/01/89/67/218018967.db2.gz JAMCUOBQNHMGIB-MRXNPFEDSA-N 1 1 349.368 3.456 50 0 EGAAMO Cc1[nH+]ccn1CC1(Cn2cc(-c3ccc(F)cc3C)nn2)CC1 ZINC000091663747 218042042 /nfs/dbraw/zinc/04/20/42/218042042.db2.gz QDXXFZAJJJNKIU-UHFFFAOYSA-N 1 1 325.391 3.378 50 0 EGAAMO O=C(CSc1ccccc1)N1C[C@H]2CC[C@H](C[N@@H+]2CC2CC2)C1 ZINC000091756830 218060154 /nfs/dbraw/zinc/06/01/54/218060154.db2.gz UVAWKDJQIQTKFY-IAGOWNOFSA-N 1 1 330.497 3.112 50 0 EGAAMO CC(C)n1cccc1C(=O)N1C[C@H]2CC[C@H](C[N@@H+]2CC2CCC2)C1 ZINC000095352247 218285873 /nfs/dbraw/zinc/28/58/73/218285873.db2.gz OAIOPSROQLPSLA-QZTJIDSGSA-N 1 1 329.488 3.406 50 0 EGAAMO C/C=C/CC(=O)N1C[C@@H](c2cccc(F)c2F)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095355737 218289386 /nfs/dbraw/zinc/28/93/86/218289386.db2.gz YKDLUUIQKCTXOR-ZASKLGDWSA-N 1 1 346.421 3.320 50 0 EGAAMO Cc1cccc([C@@H](C(=O)N(C)Cc2cnc3ccccc3n2)[NH+](C)C)c1 ZINC000095359015 218291639 /nfs/dbraw/zinc/29/16/39/218291639.db2.gz WLZPVTNIOFKGHN-FQEVSTJZSA-N 1 1 348.450 3.200 50 0 EGAAMO c1cn(CC2CCC2)c([C@H]2CCCN(c3[nH+]cnc4[nH]ccc43)C2)n1 ZINC000095363365 218296831 /nfs/dbraw/zinc/29/68/31/218296831.db2.gz YZHOIEUDUURZEF-HNNXBMFYSA-N 1 1 336.443 3.339 50 0 EGAAMO CCCCSc1nc(N2CCC(c3noc(C)n3)CC2)cc(N)[nH+]1 ZINC000095370095 218302822 /nfs/dbraw/zinc/30/28/22/218302822.db2.gz ZEVUGSWLNWSJKR-UHFFFAOYSA-N 1 1 348.476 3.026 50 0 EGAAMO CCCCSc1nc(N)cc(N2CCC(c3noc(C)n3)CC2)[nH+]1 ZINC000095370095 218302826 /nfs/dbraw/zinc/30/28/26/218302826.db2.gz ZEVUGSWLNWSJKR-UHFFFAOYSA-N 1 1 348.476 3.026 50 0 EGAAMO CCc1c[nH+]c(N)nc1N1CCC[C@@H](C(=O)c2sccc2C)C1 ZINC000095377096 218310676 /nfs/dbraw/zinc/31/06/76/218310676.db2.gz ZYDZXYJMXPITBL-CYBMUJFWSA-N 1 1 330.457 3.090 50 0 EGAAMO Cc1nc(C[N@@H+]2C[C@H]3CC[C@@H](C2)C(=O)N3Cc2ccccc2)cs1 ZINC000095388118 218318733 /nfs/dbraw/zinc/31/87/33/218318733.db2.gz ZRKOIWLCCKTSCU-FUHWJXTLSA-N 1 1 341.480 3.075 50 0 EGAAMO Cc1nc(C[N@H+]2C[C@H]3CC[C@@H](C2)C(=O)N3Cc2ccccc2)cs1 ZINC000095388118 218318734 /nfs/dbraw/zinc/31/87/34/218318734.db2.gz ZRKOIWLCCKTSCU-FUHWJXTLSA-N 1 1 341.480 3.075 50 0 EGAAMO C[C@@H](Cc1cnccn1)[N@@H+](C)Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000097259247 219006107 /nfs/dbraw/zinc/00/61/07/219006107.db2.gz BPIPYRAGBZUKCN-ZDUSSCGKSA-N 1 1 325.391 3.069 50 0 EGAAMO Cc1cc(C)c(C[N@@H+]2CCO[C@@H](c3cccnc3)C2)c(-n2cccn2)c1 ZINC000097394120 219022125 /nfs/dbraw/zinc/02/21/25/219022125.db2.gz NYZMVLVKSDYPIF-OAQYLSRUSA-N 1 1 348.450 3.458 50 0 EGAAMO Cc1cc(C)c(C[N@H+]2CCO[C@@H](c3cccnc3)C2)c(-n2cccn2)c1 ZINC000097394120 219022126 /nfs/dbraw/zinc/02/21/26/219022126.db2.gz NYZMVLVKSDYPIF-OAQYLSRUSA-N 1 1 348.450 3.458 50 0 EGAAMO CO[C@H]1C[N@@H+](C)C[C@@H]1NC(=O)Nc1ccc(C2CCCCC2)cc1 ZINC000097602322 219039955 /nfs/dbraw/zinc/03/99/55/219039955.db2.gz OMCCGXMXEYEISE-ROUUACIJSA-N 1 1 331.460 3.185 50 0 EGAAMO CCN(CC)CC[N@@H+](C)[C@H]1CCC(=O)N(CC2CCCCC2)CC1 ZINC000299758078 258076293 /nfs/dbraw/zinc/07/62/93/258076293.db2.gz AULASYKKPILOQD-IBGZPJMESA-N 1 1 337.552 3.221 50 0 EGAAMO CC[NH+](CC)CCN(C)[C@H]1CCC(=O)N(CC2CCCCC2)CC1 ZINC000299758078 258076295 /nfs/dbraw/zinc/07/62/95/258076295.db2.gz AULASYKKPILOQD-IBGZPJMESA-N 1 1 337.552 3.221 50 0 EGAAMO Cc1cc(=O)[nH]c(C)c1C(=O)NCC[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000299760043 258077327 /nfs/dbraw/zinc/07/73/27/258077327.db2.gz UJEINFLIUWJXGK-KRWDZBQOSA-N 1 1 345.487 3.321 50 0 EGAAMO c1ccc([C@@H]2C[C@H](c3noc(CN4CCCC4)n3)[C@H]3CCC[N@@H+]32)cc1 ZINC000299760219 258077567 /nfs/dbraw/zinc/07/75/67/258077567.db2.gz IEFUKZMBFKNEAT-KSZLIROESA-N 1 1 338.455 3.358 50 0 EGAAMO CC(=O)Nc1ccc(N2CC[NH+](Cc3ccccc3F)CC2)cc1 ZINC000055027744 132193043 /nfs/dbraw/zinc/19/30/43/132193043.db2.gz JKEVCKARBFJSSC-UHFFFAOYSA-N 1 1 327.403 3.106 50 0 EGAAMO COc1ccc(OC)c(C[NH+]2CCN(c3ccccc3C)CC2)c1 ZINC000055544100 132196241 /nfs/dbraw/zinc/19/62/41/132196241.db2.gz OWZXPPZWYRROIL-UHFFFAOYSA-N 1 1 326.440 3.334 50 0 EGAAMO c1ccc(C[N@H+]2CCCO[C@H](COc3ccc4c(c3)OCO4)C2)cc1 ZINC000340047187 155081474 /nfs/dbraw/zinc/08/14/74/155081474.db2.gz MLEVPDAWDZMPCT-SFHVURJKSA-N 1 1 341.407 3.085 50 0 EGAAMO Cn1ccc2c1cccc2C(=O)NC[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000170613503 226657523 /nfs/dbraw/zinc/65/75/23/226657523.db2.gz OTNPOMCTGDFKFI-QAPCUYQASA-N 1 1 325.456 3.173 50 0 EGAAMO COc1cccc(C[N@H+]2CCC[C@]3(C2)c2ccccc2N(C)C3=O)c1 ZINC000072149821 278010571 /nfs/dbraw/zinc/01/05/71/278010571.db2.gz LZAKYYACUUACBZ-NRFANRHFSA-N 1 1 336.435 3.205 50 0 EGAAMO Cc1cc(CN(C)C(=O)[C@@H](c2ccc(F)cc2)[NH+]2CCCCC2)no1 ZINC000223420803 301269807 /nfs/dbraw/zinc/26/98/07/301269807.db2.gz GIHCPNFMRFUIOZ-GOSISDBHSA-N 1 1 345.418 3.308 50 0 EGAAMO Cc1[nH]c2c(cc(F)cc2F)c1CCNC(=O)[C@H]1CCCCC[N@@H+]1C ZINC000244724284 455275628 /nfs/dbraw/zinc/27/56/28/455275628.db2.gz MREDYCKXQHSKRV-QGZVFWFLSA-N 1 1 349.425 3.288 50 0 EGAAMO COc1ccc(C[NH+]2CCN(c3ccc(F)cc3)CC2)cc1OC ZINC000000239433 452543843 /nfs/dbraw/zinc/54/38/43/452543843.db2.gz ZPYWLQGFEDFNRF-UHFFFAOYSA-N 1 1 330.403 3.165 50 0 EGAAMO O=C(C[NH2+]Cc1ccco1)Nc1ncc(Cc2ccccc2F)s1 ZINC000002887711 452734457 /nfs/dbraw/zinc/73/44/57/452734457.db2.gz BENMNXCPXWMGFY-UHFFFAOYSA-N 1 1 345.399 3.194 50 0 EGAAMO CCCCC(=O)Nc1ccc2c(c1)nc(CCn1cc[nH+]c1C)n2C ZINC000006665031 452967766 /nfs/dbraw/zinc/96/77/66/452967766.db2.gz OXCMWHXPSNQXCI-UHFFFAOYSA-N 1 1 339.443 3.450 50 0 EGAAMO Nc1cc(N)[nH+]c(S[C@@H](C(=O)c2ccccc2)c2ccccc2)n1 ZINC000006831834 452996647 /nfs/dbraw/zinc/99/66/47/452996647.db2.gz MXFAEGNTLKLFQD-QGZVFWFLSA-N 1 1 336.420 3.357 50 0 EGAAMO Cc1cc2oc(=O)cc(C[NH+]3CCN(c4ccccn4)CC3)c2cc1C ZINC000007448584 453075955 /nfs/dbraw/zinc/07/59/55/453075955.db2.gz RNCSEYCSLCADLC-UHFFFAOYSA-N 1 1 349.434 3.127 50 0 EGAAMO COc1cc(OC)c2[nH]c(C)c(C[N@H+]3CCC[C@H](C)C3)c(=O)c2c1 ZINC000008717254 453226130 /nfs/dbraw/zinc/22/61/30/453226130.db2.gz IJKUODPAXURUOV-LBPRGKRZSA-N 1 1 330.428 3.498 50 0 EGAAMO O=C1N(CCc2ccccc2)CCC[C@]12CC[N@H+](C1CCCC1)C2 ZINC000012303946 453354524 /nfs/dbraw/zinc/35/45/24/453354524.db2.gz ZBEMABNZBAGEEM-OAQYLSRUSA-N 1 1 326.484 3.486 50 0 EGAAMO COCc1ccc(C[N@H+]2CCC[C@@](CO)(Cc3ccccc3)C2)o1 ZINC000012592698 453379089 /nfs/dbraw/zinc/37/90/89/453379089.db2.gz XIEVFWQSFRQWOR-HXUWFJFHSA-N 1 1 329.440 3.243 50 0 EGAAMO CN(C(=O)CCc1ccco1)[C@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000012715194 453393539 /nfs/dbraw/zinc/39/35/39/453393539.db2.gz FUTKDFFRVQZCFV-IBGZPJMESA-N 1 1 340.467 3.378 50 0 EGAAMO CC[NH+]1CCN(C(=O)C(C)(C)Oc2cc(Cl)ccc2Cl)CC1 ZINC000013331686 453458806 /nfs/dbraw/zinc/45/88/06/453458806.db2.gz VFOMKMFUSPAPBJ-UHFFFAOYSA-N 1 1 345.270 3.315 50 0 EGAAMO O=C(Nc1ccc(Cl)cc1)N1CC[NH+](CCc2ccncc2)CC1 ZINC000013722439 453484437 /nfs/dbraw/zinc/48/44/37/453484437.db2.gz QQCRQEGTVXHOOP-UHFFFAOYSA-N 1 1 344.846 3.127 50 0 EGAAMO COC(=O)CC[C@H]1CN(CC2=CC[C@H]3C[C@@H]2C3(C)C)CC[C@H]1[NH+](C)C ZINC000014960432 453549127 /nfs/dbraw/zinc/54/91/27/453549127.db2.gz IENIYPZLXRDTIM-CADBVGFASA-N 1 1 348.531 3.184 50 0 EGAAMO COCC[C@@H]1CCCC[N@@H+]1Cc1nc(Cc2cccc(F)c2)no1 ZINC000015076933 453554632 /nfs/dbraw/zinc/55/46/32/453554632.db2.gz WVXKDDHBWSFTRO-INIZCTEOSA-N 1 1 333.407 3.191 50 0 EGAAMO COCC[C@@H]1CCCC[N@H+]1Cc1nc(Cc2cccc(F)c2)no1 ZINC000015076933 453554640 /nfs/dbraw/zinc/55/46/40/453554640.db2.gz WVXKDDHBWSFTRO-INIZCTEOSA-N 1 1 333.407 3.191 50 0 EGAAMO Cc1ccc([C@H](CNC(=O)COc2ccc(Cl)cc2)[NH+](C)C)o1 ZINC000015860101 453587564 /nfs/dbraw/zinc/58/75/64/453587564.db2.gz KXOAGFBORNQZOE-HNNXBMFYSA-N 1 1 336.819 3.039 50 0 EGAAMO O=C(c1cccc(Cl)c1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000016602501 453614824 /nfs/dbraw/zinc/61/48/24/453614824.db2.gz LFVCOAPXGLFNAX-UHFFFAOYSA-N 1 1 328.843 3.341 50 0 EGAAMO Cc1ccc(-c2c[nH]nc2[C@@H]2CCCN(c3cc[nH+]c(N)n3)C2)cc1 ZINC000067433166 453930701 /nfs/dbraw/zinc/93/07/01/453930701.db2.gz HZCHMWXKKUPHDF-OAHLLOKOSA-N 1 1 334.427 3.141 50 0 EGAAMO CN1CC[N@@H+](C)CC12CCN(c1ccnc3cc(Cl)ccc31)CC2 ZINC000067786466 453965835 /nfs/dbraw/zinc/96/58/35/453965835.db2.gz RSKYKWRWZIJRKI-UHFFFAOYSA-N 1 1 344.890 3.104 50 0 EGAAMO CC[C@@H](CO)[N@@H+](Cc1cccs1)Cc1ccc(NC(C)=O)cc1 ZINC000055341669 453977846 /nfs/dbraw/zinc/97/78/46/453977846.db2.gz OXQOQIKZDTVETN-KRWDZBQOSA-N 1 1 332.469 3.480 50 0 EGAAMO Cc1cccc(-c2c[nH]nc2C2CCN(c3cc[nH+]c(N)n3)CC2)c1 ZINC000067895043 453978186 /nfs/dbraw/zinc/97/81/86/453978186.db2.gz DDOPRMPULXVWHP-UHFFFAOYSA-N 1 1 334.427 3.141 50 0 EGAAMO CCc1ccc2nc(C)cc(C(=O)N(C)CCn3cc[nH+]c3C)c2c1 ZINC000077337796 454093190 /nfs/dbraw/zinc/09/31/90/454093190.db2.gz JYNLZMGOCJYQHK-UHFFFAOYSA-N 1 1 336.439 3.383 50 0 EGAAMO COc1ccccc1/C=C/C[N@H+]1CCC[C@@H](C(=O)c2nccn2C)C1 ZINC000077377907 454099384 /nfs/dbraw/zinc/09/93/84/454099384.db2.gz KPKOALYPCYVZML-ZGRWHYIRSA-N 1 1 339.439 3.037 50 0 EGAAMO CCCCc1ccc(-n2cc(CN3C[C@@H]4CC[N@@H+](C)[C@@H]4C3)cn2)cc1 ZINC000077408406 454102429 /nfs/dbraw/zinc/10/24/29/454102429.db2.gz XIAACTIUOLPCJN-PZJWPPBQSA-N 1 1 338.499 3.351 50 0 EGAAMO COc1ccc(F)c(-c2nc(C[NH+]3CCC(CO)CC3)c(C)o2)c1 ZINC000071751542 454214728 /nfs/dbraw/zinc/21/47/28/454214728.db2.gz USFHQGBZFGVZHU-UHFFFAOYSA-N 1 1 334.391 3.002 50 0 EGAAMO C[C@@H]1CCCC[N@H+]1Cc1cccc(NC(=O)NCC2(C)COC2)c1 ZINC000095500882 454222652 /nfs/dbraw/zinc/22/26/52/454222652.db2.gz JUMWHNGBJIEJNX-OAHLLOKOSA-N 1 1 331.460 3.219 50 0 EGAAMO CCC[C@@H]1C[N@@H+](Cc2[nH]c3ccc(OC)cc3c2C)C[C@H]1NC(C)=O ZINC000095515114 454224958 /nfs/dbraw/zinc/22/49/58/454224958.db2.gz XMRFYLYMUMJIQF-FOIQADDNSA-N 1 1 343.471 3.222 50 0 EGAAMO C[C@@]1(c2ccccc2)CCC[N@@H+](CCC(=O)NCc2ccco2)C1 ZINC000095521664 454227432 /nfs/dbraw/zinc/22/74/32/454227432.db2.gz LLGUKYVZIHLKLG-HXUWFJFHSA-N 1 1 326.440 3.340 50 0 EGAAMO Cc1nc(C(=O)NC[C@H]2CC[N@@H+](Cc3ccccc3C)C2)cs1 ZINC000096138455 454291895 /nfs/dbraw/zinc/29/18/95/454291895.db2.gz MSJPSERUUGQBSE-OAHLLOKOSA-N 1 1 329.469 3.012 50 0 EGAAMO CCCCn1nc(C2CCCC2)nc1C[C@H]1C[N@H+](C(C)C)CCO1 ZINC000096138718 454292262 /nfs/dbraw/zinc/29/22/62/454292262.db2.gz WGHMTYWCYZFFRD-KRWDZBQOSA-N 1 1 334.508 3.388 50 0 EGAAMO C[N@H+]1CC[C@]2(C1)CCCN(C(=O)Nc1cc(F)c(F)cc1F)C2 ZINC000096138124 454292241 /nfs/dbraw/zinc/29/22/41/454292241.db2.gz ROMQBOFTVXFIIU-INIZCTEOSA-N 1 1 327.350 3.054 50 0 EGAAMO CCCCn1nc(C2CCCC2)nc1C[C@H]1C[N@@H+](C(C)C)CCO1 ZINC000096138718 454292258 /nfs/dbraw/zinc/29/22/58/454292258.db2.gz WGHMTYWCYZFFRD-KRWDZBQOSA-N 1 1 334.508 3.388 50 0 EGAAMO Cc1ncsc1CN(Cc1ccccc1)C(=O)C[C@@H]1CCC[N@@H+]1C ZINC000097088241 454404035 /nfs/dbraw/zinc/40/40/35/454404035.db2.gz XJUWQHSEUHCMLA-KRWDZBQOSA-N 1 1 343.496 3.465 50 0 EGAAMO C[N@H+]1CCCCC[C@H]1C(=O)N1CCC(Oc2cccc(F)c2)CC1 ZINC000091364676 454430133 /nfs/dbraw/zinc/43/01/33/454430133.db2.gz IJJWIRSWOBSSSJ-SFHVURJKSA-N 1 1 334.435 3.070 50 0 EGAAMO CCc1[nH+]ccn1CCCNC(=O)c1cc(-c2ccc(C)s2)n[nH]1 ZINC000092022577 454504818 /nfs/dbraw/zinc/50/48/18/454504818.db2.gz SSPCBSMKNKNYGH-UHFFFAOYSA-N 1 1 343.456 3.026 50 0 EGAAMO Cc1nc(N[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)cc(C(C)C)n1 ZINC000065393530 454559030 /nfs/dbraw/zinc/55/90/30/454559030.db2.gz JASJBBNJHXACNS-QGZVFWFLSA-N 1 1 325.460 3.380 50 0 EGAAMO O[C@@H](C[NH+]1CCOCC1)c1ccc(-c2cccc3cccnc32)cc1 ZINC000065404332 454560004 /nfs/dbraw/zinc/56/00/04/454560004.db2.gz KFPVEALPRAIPGB-FQEVSTJZSA-N 1 1 334.419 3.267 50 0 EGAAMO COc1ccccc1CNC(=O)C[N@H+]1CCC[C@@H]1c1ccccc1C ZINC000065425959 454566016 /nfs/dbraw/zinc/56/60/16/454566016.db2.gz YBNHTKLNNCMMIH-LJQANCHMSA-N 1 1 338.451 3.457 50 0 EGAAMO Cc1nn(CC[NH+]2CCCC2)cc1CN1CCC[C@@H]1c1ccccn1 ZINC000065453624 454569411 /nfs/dbraw/zinc/56/94/11/454569411.db2.gz CMJXKJFKSDNHQN-HXUWFJFHSA-N 1 1 339.487 3.019 50 0 EGAAMO CCc1nc(C)c(C(=O)NCC[N@H+]2CC[C@@H](c3ccccc3C)C2)o1 ZINC000065457111 454570024 /nfs/dbraw/zinc/57/00/24/454570024.db2.gz OWMCZZMIQIAMRS-MRXNPFEDSA-N 1 1 341.455 3.073 50 0 EGAAMO Cc1ccc(C)c(NC(=O)CCN2CC([N@@H+]3CCCC[C@H]3C)C2)c1 ZINC000252488691 455810484 /nfs/dbraw/zinc/81/04/84/455810484.db2.gz IXADAHZEJRETEH-QGZVFWFLSA-N 1 1 329.488 3.191 50 0 EGAAMO Cc1cc([C@@H]2CCCC[N@@H+]2CCC(=O)NCc2cccs2)no1 ZINC000252502192 455815733 /nfs/dbraw/zinc/81/57/33/455815733.db2.gz UNIAHTKNDPLCFI-INIZCTEOSA-N 1 1 333.457 3.278 50 0 EGAAMO Cc1cc([C@@H]2CCCC[N@H+]2CCC(=O)NCc2cccs2)no1 ZINC000252502192 455815740 /nfs/dbraw/zinc/81/57/40/455815740.db2.gz UNIAHTKNDPLCFI-INIZCTEOSA-N 1 1 333.457 3.278 50 0 EGAAMO C[NH+]1CCN(C(=O)C[C@@H](Cn2cccc2)c2ccc(Cl)cc2)CC1 ZINC000253410403 455839865 /nfs/dbraw/zinc/83/98/65/455839865.db2.gz NHDCILWNVCJCRS-KRWDZBQOSA-N 1 1 345.874 3.089 50 0 EGAAMO Cc1nn(CCO)c(C)c1C[N@H+]1CC[C@H](c2cccc(Cl)c2)C1 ZINC000215937925 456026655 /nfs/dbraw/zinc/02/66/55/456026655.db2.gz LCQNQJDZCGEHDL-INIZCTEOSA-N 1 1 333.863 3.135 50 0 EGAAMO CC[C@@H]1CN(C(=O)NCc2c(OC)ccc3ccccc32)CC[N@H+]1C ZINC000426566816 457855359 /nfs/dbraw/zinc/85/53/59/457855359.db2.gz CSAGNQFLHMHZHK-MRXNPFEDSA-N 1 1 341.455 3.084 50 0 EGAAMO Cc1sc2ncn(Cc3[nH]cc[nH+]3)c(=O)c2c1-c1ccc(F)cc1 ZINC000584903210 459821394 /nfs/dbraw/zinc/82/13/94/459821394.db2.gz NODHAGMEKZYAKQ-UHFFFAOYSA-N 1 1 340.383 3.344 50 0 EGAAMO CCOc1cc(C[NH+]2CCN(c3ccccc3C)CC2)ccc1O ZINC000055543915 535672466 /nfs/dbraw/zinc/67/24/66/535672466.db2.gz RVKKUJWETRAOEC-UHFFFAOYSA-N 1 1 326.440 3.422 50 0 EGAAMO CC(=O)Nc1ccc2nc(C[N@H+](C)Cc3c(C)noc3C)ccc2c1 ZINC000820592948 1319917536 /nfs/dbraw/zinc/91/75/36/1319917536.db2.gz GBHKXZRRPODVAJ-UHFFFAOYSA-N 1 1 338.411 3.430 50 0 EGAAMO CC(=O)Nc1ccc2nc(C[N@@H+](C)Cc3c(C)noc3C)ccc2c1 ZINC000820592948 1319917544 /nfs/dbraw/zinc/91/75/44/1319917544.db2.gz GBHKXZRRPODVAJ-UHFFFAOYSA-N 1 1 338.411 3.430 50 0 EGAAMO CN(C)C1(CNc2ccc3cc(Cl)ccc3n2)CC[NH+](C)CC1 ZINC000823759625 1320204676 /nfs/dbraw/zinc/20/46/76/1320204676.db2.gz YORSCGNBZVZFOK-UHFFFAOYSA-N 1 1 332.879 3.326 50 0 EGAAMO c1ccc2sc(C[C@@H]3CC[C@H](C[N@H+]4CCCOCC4)O3)nc2c1 ZINC000952854473 1334581491 /nfs/dbraw/zinc/58/14/91/1334581491.db2.gz IWGIXOGVBHPDPD-LSDHHAIUSA-N 1 1 332.469 3.109 50 0 EGAAMO Cc1[nH+]ccn1Cc1ccccc1NC(=O)c1ccc2c(c1)ncn2C ZINC000952868950 1334583997 /nfs/dbraw/zinc/58/39/97/1334583997.db2.gz JDANDNWYWDBULW-UHFFFAOYSA-N 1 1 345.406 3.379 50 0 EGAAMO CCOc1ccc([C@@H](C)NC(=O)CCn2cc[nH+]c2CC)cc1F ZINC000952962227 1334625500 /nfs/dbraw/zinc/62/55/00/1334625500.db2.gz BDFCLEBQNHGVNJ-CYBMUJFWSA-N 1 1 333.407 3.251 50 0 EGAAMO COCC[N@H+](C)CC(=O)N(Cc1cccc(C)c1)C1CCCCC1 ZINC000952971037 1334627888 /nfs/dbraw/zinc/62/78/88/1334627888.db2.gz DEKOVLGETOZXJD-UHFFFAOYSA-N 1 1 332.488 3.235 50 0 EGAAMO COCC[N@@H+](C)CC(=O)N(Cc1cccc(C)c1)C1CCCCC1 ZINC000952971037 1334627892 /nfs/dbraw/zinc/62/78/92/1334627892.db2.gz DEKOVLGETOZXJD-UHFFFAOYSA-N 1 1 332.488 3.235 50 0 EGAAMO C[C@H]1CCC(=O)N1c1cccc(NC(=O)C[N@@H+](C)C2CCCC2)c1 ZINC000952976146 1334628364 /nfs/dbraw/zinc/62/83/64/1334628364.db2.gz QESUZRMHCQIWIS-AWEZNQCLSA-N 1 1 329.444 3.015 50 0 EGAAMO Cc1nccn1CC[C@@H]1CCCC[N@@H+]1CC(=O)N(C)c1ccccc1 ZINC001704350324 1416452637 /nfs/dbraw/zinc/45/26/37/1416452637.db2.gz IMLZLAMJSIADLJ-IBGZPJMESA-N 1 1 340.471 3.099 50 0 EGAAMO CN(CC[N@@H+](C)C1CCCC1)c1nnc(CSc2ccncc2)o1 ZINC001772706984 1441417211 /nfs/dbraw/zinc/41/72/11/1441417211.db2.gz XECSRZSADATMOZ-UHFFFAOYSA-N 1 1 347.488 3.068 50 0 EGAAMO Cc1ccccc1CN1CC[N@H+](Cc2ccccc2F)CCC1=O ZINC000055120555 214275814 /nfs/dbraw/zinc/27/58/14/214275814.db2.gz KYTQAFLCTZCXLQ-UHFFFAOYSA-N 1 1 326.415 3.369 50 0 EGAAMO Cc1ccccc1CN1CC[N@@H+](Cc2ccccc2F)CCC1=O ZINC000055120555 214275815 /nfs/dbraw/zinc/27/58/15/214275815.db2.gz KYTQAFLCTZCXLQ-UHFFFAOYSA-N 1 1 326.415 3.369 50 0 EGAAMO O=C1OCCN1c1ccc(OC[C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC000055119586 214276190 /nfs/dbraw/zinc/27/61/90/214276190.db2.gz CYLIMTSDFNSJKL-MAUKXSAKSA-N 1 1 330.428 3.287 50 0 EGAAMO c1cnn(C[C@H]2CCC[N@H+]2Cc2ccc(Sc3ncccn3)o2)c1 ZINC000055270236 214298946 /nfs/dbraw/zinc/29/89/46/214298946.db2.gz JCYNFVWFDUWPKV-CQSZACIVSA-N 1 1 341.440 3.082 50 0 EGAAMO COCC[N@H+](Cc1cc(OC)c(O)c(OC)c1)Cc1ccccc1F ZINC000055382821 214314380 /nfs/dbraw/zinc/31/43/80/214314380.db2.gz BFFPGKJYVMMAQO-UHFFFAOYSA-N 1 1 349.402 3.197 50 0 EGAAMO COCC[N@@H+](Cc1cc(OC)c(O)c(OC)c1)Cc1ccccc1F ZINC000055382821 214314383 /nfs/dbraw/zinc/31/43/83/214314383.db2.gz BFFPGKJYVMMAQO-UHFFFAOYSA-N 1 1 349.402 3.197 50 0 EGAAMO COc1cc(C[N@H+](Cc2ccccn2)CC(C)C)cc2c1OCO2 ZINC000055576450 214331967 /nfs/dbraw/zinc/33/19/67/214331967.db2.gz RVJLGUHAOAAFSZ-UHFFFAOYSA-N 1 1 328.412 3.477 50 0 EGAAMO CCOc1ccc(Br)c([C@]2(O)C[C@@H](C)[N@@H+](C)C[C@@H]2C)c1 ZINC000004339496 210174601 /nfs/dbraw/zinc/17/46/01/210174601.db2.gz KTZNNKANCYRNTA-OZVIIMIRSA-N 1 1 342.277 3.396 50 0 EGAAMO COc1ccc(OC)c([C@H]2CC[N@@H+](Cc3c(C)nn(C)c3Cl)C2)c1 ZINC000065525913 214946291 /nfs/dbraw/zinc/94/62/91/214946291.db2.gz FGOGHMQIFSNCKJ-ZDUSSCGKSA-N 1 1 349.862 3.389 50 0 EGAAMO CN(CC[N@@H+](C)C(C)(C)C)C(=O)c1ccccc1Br ZINC000067192465 215121640 /nfs/dbraw/zinc/12/16/40/215121640.db2.gz RSRKOHZBVHBILM-UHFFFAOYSA-N 1 1 327.266 3.251 50 0 EGAAMO O=C(NC[C@H]1CC[N@H+](Cc2cccc(O)c2)C1)c1cc2ccccc2[nH]1 ZINC000067459202 215147771 /nfs/dbraw/zinc/14/77/71/215147771.db2.gz GUJPTGSVANNTPG-MRXNPFEDSA-N 1 1 349.434 3.125 50 0 EGAAMO COCCC(=O)N1CCC[C@@]2(CC[N@@H+](Cc3c(C)cccc3C)C2)C1 ZINC000067459624 215149419 /nfs/dbraw/zinc/14/94/19/215149419.db2.gz QOXMMFWGOJPRFW-NRFANRHFSA-N 1 1 344.499 3.154 50 0 EGAAMO Cc1ccc(C[N@H+]2CC[C@@H](CNC(=O)CC(F)(F)F)C2)cc1F ZINC000067840130 215225719 /nfs/dbraw/zinc/22/57/19/215225719.db2.gz INZNAVOBVWEUKD-ZDUSSCGKSA-N 1 1 332.341 3.025 50 0 EGAAMO Cc1ccc(C[N@H+]2CCN(Cc3ccc(F)cc3)C[C@H]2CCO)cc1 ZINC000104326978 219374336 /nfs/dbraw/zinc/37/43/36/219374336.db2.gz JLJKKWXNYPZAHM-OAQYLSRUSA-N 1 1 342.458 3.203 50 0 EGAAMO [NH3+]CCc1cccc(CN2CCN(Cc3ccc(Cl)cc3)CC2)c1 ZINC000072129156 216018779 /nfs/dbraw/zinc/01/87/79/216018779.db2.gz ZMYMUCPUSABSGN-UHFFFAOYSA-N 1 1 343.902 3.159 50 0 EGAAMO COc1cccc([C@@H]2CCCC[N@@H+]2Cc2cc(=O)c(OC)co2)c1 ZINC000072153699 216041775 /nfs/dbraw/zinc/04/17/75/216041775.db2.gz LDKLVJIYYCSNJY-KRWDZBQOSA-N 1 1 329.396 3.384 50 0 EGAAMO COc1cccc([C@@H]2CCCC[N@H+]2Cc2cc(=O)c(OC)co2)c1 ZINC000072153699 216041778 /nfs/dbraw/zinc/04/17/78/216041778.db2.gz LDKLVJIYYCSNJY-KRWDZBQOSA-N 1 1 329.396 3.384 50 0 EGAAMO Cn1ncc(C[N@H+]2CCCN(Cc3ccccc3F)CC2)c1C1CC1 ZINC000072166505 216054999 /nfs/dbraw/zinc/05/49/99/216054999.db2.gz PIOKOWSCOXMDIC-UHFFFAOYSA-N 1 1 342.462 3.145 50 0 EGAAMO Cn1ncc(CN2CCC[N@H+](Cc3ccccc3F)CC2)c1C1CC1 ZINC000072166505 216055003 /nfs/dbraw/zinc/05/50/03/216055003.db2.gz PIOKOWSCOXMDIC-UHFFFAOYSA-N 1 1 342.462 3.145 50 0 EGAAMO Cn1ncc(CN2CCC[N@@H+](Cc3ccccc3F)CC2)c1C1CC1 ZINC000072166505 216055007 /nfs/dbraw/zinc/05/50/07/216055007.db2.gz PIOKOWSCOXMDIC-UHFFFAOYSA-N 1 1 342.462 3.145 50 0 EGAAMO CCCCN1C(=O)CC[C@H]2C[N@@H+](Cc3nc4ccccc4[nH]3)CC[C@H]21 ZINC000072435286 216229579 /nfs/dbraw/zinc/22/95/79/216229579.db2.gz AAFFPZGRZNDVMJ-MAUKXSAKSA-N 1 1 340.471 3.176 50 0 EGAAMO CCCCN1C(=O)CC[C@H]2C[N@H+](Cc3nc4ccccc4[nH]3)CC[C@H]21 ZINC000072435286 216229580 /nfs/dbraw/zinc/22/95/80/216229580.db2.gz AAFFPZGRZNDVMJ-MAUKXSAKSA-N 1 1 340.471 3.176 50 0 EGAAMO Cc1ccsc1C[N@H+]1CCN(Cc2cccs2)[C@@H](CCO)C1 ZINC000023375496 212373206 /nfs/dbraw/zinc/37/32/06/212373206.db2.gz HWLXFLLOJFWAJN-HNNXBMFYSA-N 1 1 336.526 3.187 50 0 EGAAMO Cn1c(C(=O)N2CC[NH+](C)CC2)cc2cc(Oc3ccccc3)ccc21 ZINC000023226919 212361362 /nfs/dbraw/zinc/36/13/62/212361362.db2.gz QBYZBKZHNGISDY-UHFFFAOYSA-N 1 1 349.434 3.358 50 0 EGAAMO CO[C@@H]1CCC[N@H+](Cc2cnc(SCc3ccccc3)nc2)C1 ZINC000215464372 241124547 /nfs/dbraw/zinc/12/45/47/241124547.db2.gz AALDLYJTEAPSPH-QGZVFWFLSA-N 1 1 329.469 3.380 50 0 EGAAMO CO[C@@H]1CCC[N@@H+](Cc2cnc(SCc3ccccc3)nc2)C1 ZINC000215464372 241124551 /nfs/dbraw/zinc/12/45/51/241124551.db2.gz AALDLYJTEAPSPH-QGZVFWFLSA-N 1 1 329.469 3.380 50 0 EGAAMO C[NH+]1CCN(Cc2ccc(C(=O)c3cc(F)c(F)c(F)c3)cc2)CC1 ZINC000022027960 212271745 /nfs/dbraw/zinc/27/17/45/212271745.db2.gz UMJCXGZOTDHLHH-UHFFFAOYSA-N 1 1 348.368 3.082 50 0 EGAAMO C[C@@H](C(=O)N1CCCC1)[N@@H+](CCCO)Cc1cccc2ccccc21 ZINC000244794550 243082266 /nfs/dbraw/zinc/08/22/66/243082266.db2.gz QOUSSSMXJRAXMJ-KRWDZBQOSA-N 1 1 340.467 3.035 50 0 EGAAMO Cc1cc([C@@H]2CCCC[N@@H+]2CCCOc2ccc(C(N)=O)cc2)no1 ZINC000244874429 243094199 /nfs/dbraw/zinc/09/41/99/243094199.db2.gz XBCVLCRHQWWUBQ-SFHVURJKSA-N 1 1 343.427 3.078 50 0 EGAAMO Cc1cc([C@@H]2CCCC[N@H+]2CCCOc2ccc(C(N)=O)cc2)no1 ZINC000244874429 243094207 /nfs/dbraw/zinc/09/42/07/243094207.db2.gz XBCVLCRHQWWUBQ-SFHVURJKSA-N 1 1 343.427 3.078 50 0 EGAAMO Cc1ccccc1C[N@H+]1CCN(Cc2ccccc2F)[C@@H](CCO)C1 ZINC000020363834 212122718 /nfs/dbraw/zinc/12/27/18/212122718.db2.gz NDEJPDBHRUPJME-FQEVSTJZSA-N 1 1 342.458 3.203 50 0 EGAAMO c1ccc(COc2ccc(OCCCC[NH+]3CCNCC3)cc2)cc1 ZINC000020272558 212115783 /nfs/dbraw/zinc/11/57/83/212115783.db2.gz CDVHTKXTETYPBO-UHFFFAOYSA-N 1 1 340.467 3.330 50 0 EGAAMO O=C(c1ccncc1)N1CC[NH+](Cc2ccc3ccccc3c2)CC1 ZINC000019773654 212064208 /nfs/dbraw/zinc/06/42/08/212064208.db2.gz HLXSOUUXKPQQQE-UHFFFAOYSA-N 1 1 331.419 3.193 50 0 EGAAMO CCOC(=O)N1CCC([N@H+]2CCC[C@@H](Nc3ccccc3)C2)CC1 ZINC000012318577 211343321 /nfs/dbraw/zinc/34/33/21/211343321.db2.gz SCBCZBMKUNASDT-QGZVFWFLSA-N 1 1 331.460 3.184 50 0 EGAAMO Cc1cccc(C)c1Oc1ncccc1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000012307889 211341476 /nfs/dbraw/zinc/34/14/76/211341476.db2.gz FJGYNCKEEQLOBZ-QGZVFWFLSA-N 1 1 339.439 3.059 50 0 EGAAMO COc1ccc(C(=O)[C@@H]2CCC[N@@H+](Cc3ccncc3)C2)cc1OC ZINC000012304574 211339210 /nfs/dbraw/zinc/33/92/10/211339210.db2.gz VBYWHUGFIOYQJB-QGZVFWFLSA-N 1 1 340.423 3.194 50 0 EGAAMO COc1ccccc1Oc1ncccc1C[NH2+]Cc1cnc(C)n1C ZINC000012300928 211337008 /nfs/dbraw/zinc/33/70/08/211337008.db2.gz MGAHTHHMXHWOLL-UHFFFAOYSA-N 1 1 338.411 3.214 50 0 EGAAMO Cc1cccc(CN2CCC[C@@]3(CC[N@@H+](Cc4cccnc4)C3)C2=O)c1 ZINC000012200884 211319360 /nfs/dbraw/zinc/31/93/60/211319360.db2.gz QORGRKBSKCCERN-QFIPXVFZSA-N 1 1 349.478 3.405 50 0 EGAAMO CC(=O)CCC(=O)N1CC[C@]2(C1)CCC[N@@H+](Cc1ccc(F)cc1)C2 ZINC000012076503 211287643 /nfs/dbraw/zinc/28/76/43/211287643.db2.gz LVVCXWRYKIFSKO-HXUWFJFHSA-N 1 1 346.446 3.009 50 0 EGAAMO CC(C)(C)c1oc(C(N)=O)cc1C[N@H+]1CCC[C@@](CO)(CC2CC2)C1 ZINC000091391308 218001066 /nfs/dbraw/zinc/00/10/66/218001066.db2.gz RFGPUPBXUAREMP-HXUWFJFHSA-N 1 1 348.487 3.051 50 0 EGAAMO CN(C(=O)/C=C/c1ccccn1)[C@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000011938394 211272797 /nfs/dbraw/zinc/27/27/97/211272797.db2.gz DNVJTVVMVQXGKG-IWGBCORSSA-N 1 1 349.478 3.260 50 0 EGAAMO Cc1ncnc(N2CCC[C@H](c3[nH+]ccn3Cc3ccccn3)C2)c1C ZINC000091562838 218022718 /nfs/dbraw/zinc/02/27/18/218022718.db2.gz KAPCBNAQKQATHN-KRWDZBQOSA-N 1 1 348.454 3.117 50 0 EGAAMO Cc1ncc(C[NH2+]Cc2cccnc2N(C)Cc2ccccc2)cn1 ZINC000011838554 211254635 /nfs/dbraw/zinc/25/46/35/211254635.db2.gz UDPYBECZZNGJCC-UHFFFAOYSA-N 1 1 333.439 3.106 50 0 EGAAMO CC(C)(C)OC(=O)N1CCC2(CC1)C[N@@H+](Cc1ccccc1)CCO2 ZINC000091692868 218049205 /nfs/dbraw/zinc/04/92/05/218049205.db2.gz HXZCJBKFNPEFAF-UHFFFAOYSA-N 1 1 346.471 3.289 50 0 EGAAMO Cc1ccccc1[C@@H]1CC[N@H+](CCNC(=O)c2cc(C(C)C)no2)C1 ZINC000091846577 218076423 /nfs/dbraw/zinc/07/64/23/218076423.db2.gz WEJNQAGTJARNNO-MRXNPFEDSA-N 1 1 341.455 3.326 50 0 EGAAMO Cc1cc(C)c2[nH]c(C[N@H+]3CCC[C@H](c4cc[nH]n4)C3)cc(=O)c2c1 ZINC000092062238 218111372 /nfs/dbraw/zinc/11/13/72/218111372.db2.gz QKXHIQLPNXECDM-HNNXBMFYSA-N 1 1 336.439 3.248 50 0 EGAAMO Cc1cc2cc(C(=O)N3CCC[N@H+](Cc4ccccn4)CC3)ccc2o1 ZINC000092061848 218111888 /nfs/dbraw/zinc/11/18/88/218111888.db2.gz PYKBNMCJUYNKOO-UHFFFAOYSA-N 1 1 349.434 3.484 50 0 EGAAMO Cc1cc2cc(C(=O)N3CCC[N@@H+](Cc4ccccn4)CC3)ccc2o1 ZINC000092061848 218111891 /nfs/dbraw/zinc/11/18/91/218111891.db2.gz PYKBNMCJUYNKOO-UHFFFAOYSA-N 1 1 349.434 3.484 50 0 EGAAMO Cc1cccc(O[C@H](C)C(=O)NC[C@H](c2ccco2)[NH+](C)C)c1C ZINC000009486355 211090997 /nfs/dbraw/zinc/09/09/97/211090997.db2.gz YPDXPOBFBINYLX-HZPDHXFCSA-N 1 1 330.428 3.083 50 0 EGAAMO OCC[C@H]1CN(Cc2ccc(F)c(F)c2)CC[N@H+]1Cc1ccccc1 ZINC000095347215 218282576 /nfs/dbraw/zinc/28/25/76/218282576.db2.gz BGPGRJCZKHRJLP-SFHVURJKSA-N 1 1 346.421 3.034 50 0 EGAAMO COc1ccc2[nH]c(CNC(=O)CC[C@@H]3CCCC[N@H+]3C)cc2c1 ZINC000095374921 218308237 /nfs/dbraw/zinc/30/82/37/218308237.db2.gz BRQKDIXFCQBKCB-INIZCTEOSA-N 1 1 329.444 3.057 50 0 EGAAMO CC(C)CC(=O)N1C[C@@H](c2cccc(F)c2F)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095370494 218302424 /nfs/dbraw/zinc/30/24/24/218302424.db2.gz HJPPLIZNLQGALZ-CWFSZBLJSA-N 1 1 348.437 3.400 50 0 EGAAMO C(c1noc(C2CCCC2)n1)N1C[C@H]2CC[C@H](C[N@@H+]2CC2CCC2)C1 ZINC000095380309 218312759 /nfs/dbraw/zinc/31/27/59/218312759.db2.gz WKQAZWOWPQMXJX-FUHWJXTLSA-N 1 1 344.503 3.424 50 0 EGAAMO CC(C)c1nc(CCNC(=O)[C@@H](c2ccc(F)cc2)[NH+](C)C)cs1 ZINC000095390256 218321382 /nfs/dbraw/zinc/32/13/82/218321382.db2.gz GHGXDKLRDQWSDO-MRXNPFEDSA-N 1 1 349.475 3.367 50 0 EGAAMO C[NH+]1CCN(C(=S)Nc2ccc(Br)cc2Cl)CC1 ZINC000005061154 210379773 /nfs/dbraw/zinc/37/97/73/210379773.db2.gz KGHYHCKAFAOIAA-UHFFFAOYSA-N 1 1 348.697 3.047 50 0 EGAAMO COc1ccc(C[N@@H+](C)C2CCSCC2)cc1Cn1cccn1 ZINC000097288829 219008833 /nfs/dbraw/zinc/00/88/33/219008833.db2.gz AGBUBUNUSFFNJZ-UHFFFAOYSA-N 1 1 331.485 3.267 50 0 EGAAMO O=C(c1cnoc1-c1ccccc1)N1CC[NH2+][C@H](c2ccccc2)C1 ZINC000097514927 219032623 /nfs/dbraw/zinc/03/26/23/219032623.db2.gz MCPAKPQWRDQFAG-SFHVURJKSA-N 1 1 333.391 3.128 50 0 EGAAMO CO[C@H]1C[N@H+](C(C)C)C[C@@H]1NC(=O)Nc1cc(C)c(F)cc1Cl ZINC000299776916 258087338 /nfs/dbraw/zinc/08/73/38/258087338.db2.gz FIFZMWQATSRNBA-GJZGRUSLSA-N 1 1 343.830 3.017 50 0 EGAAMO O=C(NCCC(F)(F)F)[C@H]1C[C@@H](c2ccccc2)[N@H+]2CCC[C@H]12 ZINC000299794399 258099291 /nfs/dbraw/zinc/09/92/91/258099291.db2.gz KFXCGIXYNVUKLL-ZNMIVQPWSA-N 1 1 326.362 3.281 50 0 EGAAMO Cc1ccc(N2C(=O)[C@H](C[NH+]3CCOCC3)[C@@H]2c2ccccc2)cc1 ZINC000020389770 292128482 /nfs/dbraw/zinc/12/84/82/292128482.db2.gz XFGAVBLXVPVPTH-UXHICEINSA-N 1 1 336.435 3.031 50 0 EGAAMO O=C1C[C@@H]([N@@H+]2C[C@@H]3CCCC[C@@H]3C2)C(=O)N1c1ccc(Cl)cc1 ZINC000015084263 275019752 /nfs/dbraw/zinc/01/97/52/275019752.db2.gz RBRRWYQEVKKWPO-DVOMOZLQSA-N 1 1 332.831 3.094 50 0 EGAAMO C[N@@H+]1CC(=Cc2ccccc2)C2=NC(=S)N[C@H](c3ccccc3)C2C1 ZINC000016958553 277022953 /nfs/dbraw/zinc/02/29/53/277022953.db2.gz CAJQQZSVKSXMPE-XYSGSMRZSA-N 1 1 347.487 3.489 50 0 EGAAMO Cc1ccccc1[C@H](C(=O)N1CCC2(CCOCC2)CC1)[NH+](C)C ZINC000095518721 302169995 /nfs/dbraw/zinc/16/99/95/302169995.db2.gz FJIIUKWZSOGQKR-GOSISDBHSA-N 1 1 330.472 3.017 50 0 EGAAMO CCOC(=O)N1CC[C@@H]([NH2+]Cc2csc(-c3ccccc3)n2)C1 ZINC000495424832 311562462 /nfs/dbraw/zinc/56/24/62/311562462.db2.gz RWAPDCALVIFRGQ-CQSZACIVSA-N 1 1 331.441 3.131 50 0 EGAAMO COc1ccc(C[N@H+]2CCC[C@@H](C(=O)N3CCCCCC3)C2)cc1 ZINC000000212091 452536286 /nfs/dbraw/zinc/53/62/86/452536286.db2.gz BXUMZSCTKAQEKH-GOSISDBHSA-N 1 1 330.472 3.310 50 0 EGAAMO C[NH+]1CCN(C(=S)Nc2ccc(Nc3ccccc3)cc2)CC1 ZINC000000534387 452616396 /nfs/dbraw/zinc/61/63/96/452616396.db2.gz HUNJDDKFCVYOOU-UHFFFAOYSA-N 1 1 326.469 3.374 50 0 EGAAMO O=C(CC[N@H+](CCO)Cc1ccccc1)Nc1ccccc1Cl ZINC000002760785 452720919 /nfs/dbraw/zinc/72/09/19/452720919.db2.gz VPMUEECIUKPEHP-UHFFFAOYSA-N 1 1 332.831 3.163 50 0 EGAAMO C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3)cc2Cl)CC1 ZINC000004841344 452822341 /nfs/dbraw/zinc/82/23/41/452822341.db2.gz CODMYUULTJVKGU-UHFFFAOYSA-N 1 1 329.831 3.344 50 0 EGAAMO CC[C@H](C)[C@H]([NH3+])c1nnc(SCC(=O)Nc2cc(C)ccc2C)o1 ZINC000006707325 452975965 /nfs/dbraw/zinc/97/59/65/452975965.db2.gz PXNLIXLHMZNWKZ-NHYWBVRUSA-N 1 1 348.472 3.463 50 0 EGAAMO COC(=O)c1ccc2[nH]c(C)c(C[N@H+]3CCCC[C@H]3C)c(=O)c2c1 ZINC000008714043 453225552 /nfs/dbraw/zinc/22/55/52/453225552.db2.gz GBCCLUZCDSBFPZ-GFCCVEGCSA-N 1 1 328.412 3.410 50 0 EGAAMO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(OC)c(OC)c1 ZINC000013647217 453478680 /nfs/dbraw/zinc/47/86/80/453478680.db2.gz AQGDSJZTCKDRKD-MRXNPFEDSA-N 1 1 334.460 3.088 50 0 EGAAMO Cn1c(C[NH+]2CCCCC2)nc2cc(NC(=O)c3ccco3)ccc21 ZINC000013689084 453482116 /nfs/dbraw/zinc/48/21/16/453482116.db2.gz PYFZOYZWXGPZSL-UHFFFAOYSA-N 1 1 338.411 3.405 50 0 EGAAMO CCOC(=O)C1CC[NH+](CCOc2ccc(C)cc2Cl)CC1 ZINC000016490044 453609595 /nfs/dbraw/zinc/60/95/95/453609595.db2.gz JQUFCZGACMOTDO-UHFFFAOYSA-N 1 1 325.836 3.302 50 0 EGAAMO CCc1cc(C(=O)N2CC[NH+](CCc3ccccc3)CC2)cs1 ZINC000016603749 453614573 /nfs/dbraw/zinc/61/45/73/453614573.db2.gz YKUKIYXIVHGLQY-UHFFFAOYSA-N 1 1 328.481 3.311 50 0 EGAAMO COc1cccc(N2CCC([N@@H+]3CCC[C@@H](N4CCCC4)C3)CC2)c1 ZINC000019791141 453659444 /nfs/dbraw/zinc/65/94/44/453659444.db2.gz OAFJANDWLIXYHK-HXUWFJFHSA-N 1 1 343.515 3.224 50 0 EGAAMO COc1cccc(N2CCC([N@H+]3CCC[C@@H](N4CCCC4)C3)CC2)c1 ZINC000019791141 453659448 /nfs/dbraw/zinc/65/94/48/453659448.db2.gz OAFJANDWLIXYHK-HXUWFJFHSA-N 1 1 343.515 3.224 50 0 EGAAMO O=C(NCc1cc2n(n1)CCC[N@H+](C1CCCCC1)C2)C1CCCC1 ZINC000082100254 453923772 /nfs/dbraw/zinc/92/37/72/453923772.db2.gz SZTJLZFIJFOSKB-UHFFFAOYSA-N 1 1 344.503 3.228 50 0 EGAAMO CCc1[nH+]ccn1CCCNC(=O)c1cc(C)nc2c(C)cccc12 ZINC000082146124 453925863 /nfs/dbraw/zinc/92/58/63/453925863.db2.gz HOHZCNDFEQICSY-UHFFFAOYSA-N 1 1 336.439 3.431 50 0 EGAAMO CCCCCC[N@H+]1CCCn2nc(CNC(=O)C3CCC3)cc2C1 ZINC000082136723 453926261 /nfs/dbraw/zinc/92/62/61/453926261.db2.gz RAKYNTDEUICGRL-UHFFFAOYSA-N 1 1 332.492 3.085 50 0 EGAAMO CCC[N@H+]1CCCn2nc(CNC(=O)c3cccc(Cl)c3)cc2C1 ZINC000082161789 453926888 /nfs/dbraw/zinc/92/68/88/453926888.db2.gz UMMHUVMFUBTWEI-UHFFFAOYSA-N 1 1 346.862 3.082 50 0 EGAAMO CCCn1ncc(C[N@H+](CCO)Cc2ccc(SC)cc2)c1C ZINC000055054388 453959600 /nfs/dbraw/zinc/95/96/00/453959600.db2.gz FGHYPBGVETXTEM-UHFFFAOYSA-N 1 1 333.501 3.318 50 0 EGAAMO CCCn1ncc(C[N@@H+](CCO)Cc2ccc(SC)cc2)c1C ZINC000055054388 453959602 /nfs/dbraw/zinc/95/96/02/453959602.db2.gz FGHYPBGVETXTEM-UHFFFAOYSA-N 1 1 333.501 3.318 50 0 EGAAMO Cc1cccc(C)c1NC(=O)NC[C@H]1CCC[N@H+](C2CCOCC2)C1 ZINC000067885261 453976995 /nfs/dbraw/zinc/97/69/95/453976995.db2.gz REDLFJCSHKJITD-QGZVFWFLSA-N 1 1 345.487 3.316 50 0 EGAAMO Cc1ccc(F)c(C[N@H+]2CCCC[C@H]2CCN2CCOCC2)c1F ZINC000077323305 454091512 /nfs/dbraw/zinc/09/15/12/454091512.db2.gz IKUSHJVKTBIVHI-INIZCTEOSA-N 1 1 338.442 3.350 50 0 EGAAMO Cc1[nH+]ccn1CC[C@H]1CCCCN1C(=O)c1ccc(C)cc1O ZINC000077356184 454096591 /nfs/dbraw/zinc/09/65/91/454096591.db2.gz ZHUPYGYTSBKBPO-MRXNPFEDSA-N 1 1 327.428 3.291 50 0 EGAAMO CCc1[nH]c2c(cc(C)cc2CNC(=O)Cn2cc[nH+]c2CC)c1C ZINC000071751381 454213444 /nfs/dbraw/zinc/21/34/44/454213444.db2.gz IWOQCACPKLUMKE-UHFFFAOYSA-N 1 1 338.455 3.422 50 0 EGAAMO Cc1nc(CN2CCC[N@@H+](Cc3ccc(F)cc3)[C@H](C(C)C)C2)no1 ZINC000071760283 454215806 /nfs/dbraw/zinc/21/58/06/454215806.db2.gz MKGDNCZHVAJTKE-SFHVURJKSA-N 1 1 346.450 3.250 50 0 EGAAMO CC[N@H+]1CCCC[C@@H]1CNc1nccc(-c2ccc(C)nc2C)n1 ZINC000071762380 454215810 /nfs/dbraw/zinc/21/58/10/454215810.db2.gz ARSVLHNQYVWRLQ-MRXNPFEDSA-N 1 1 325.460 3.442 50 0 EGAAMO CCn1cc(C[N@H+]2CCC[C@H](N3CCCC3=O)C2)c2ccccc21 ZINC000071767869 454216373 /nfs/dbraw/zinc/21/63/73/454216373.db2.gz FNFLEQLKWTZJRK-KRWDZBQOSA-N 1 1 325.456 3.248 50 0 EGAAMO COc1ccc([C@@H]2C[N@@H+](Cc3cccnc3)[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000071776235 454218881 /nfs/dbraw/zinc/21/88/81/454218881.db2.gz BVFSEIGCZFSZTI-BHDDXSALSA-N 1 1 349.478 3.152 50 0 EGAAMO COc1ccc([C@@H]2CN(Cc3cccnc3)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000071776235 454218885 /nfs/dbraw/zinc/21/88/85/454218885.db2.gz BVFSEIGCZFSZTI-BHDDXSALSA-N 1 1 349.478 3.152 50 0 EGAAMO CC(C)c1[nH+]ccn1[C@@H](C)C(=O)N1CCc2[nH]nc(C3CCC3)c2C1 ZINC000095502323 454222790 /nfs/dbraw/zinc/22/27/90/454222790.db2.gz TVUUTDONVWQNPQ-ZDUSSCGKSA-N 1 1 341.459 3.143 50 0 EGAAMO CC(C)c1[nH+]ccn1[C@@H](C)C(=O)NCc1c[nH]nc1-c1cccs1 ZINC000095509210 454225396 /nfs/dbraw/zinc/22/53/96/454225396.db2.gz BFJKNDPNNINDAQ-LBPRGKRZSA-N 1 1 343.456 3.336 50 0 EGAAMO COCCC[N@H+]1CC[C@H](CNC(=O)Nc2cccc3cc(C)oc32)C1 ZINC000096150469 454292569 /nfs/dbraw/zinc/29/25/69/454292569.db2.gz MWSILDKWIPNJDA-OAHLLOKOSA-N 1 1 345.443 3.221 50 0 EGAAMO Cn1cc(C(=O)NC[C@H]2CCC[N@H+]3CCCC[C@H]23)c2ccccc21 ZINC000096343606 454319023 /nfs/dbraw/zinc/31/90/23/454319023.db2.gz NMAOABNYFXQXKE-CRAIPNDOSA-N 1 1 325.456 3.173 50 0 EGAAMO Cn1ccc2ccc(C(=O)NC[C@H]3CCC[N@H+]4CCCC[C@H]34)cc21 ZINC000096343517 454319354 /nfs/dbraw/zinc/31/93/54/454319354.db2.gz LJHXKSQDEWTYLC-QZTJIDSGSA-N 1 1 325.456 3.173 50 0 EGAAMO C[N@H+]1CCCCC[C@@H]1C(=O)NCCCSCc1ccccc1F ZINC000097492555 454438681 /nfs/dbraw/zinc/43/86/81/454438681.db2.gz SDEGBYDJGKWSFZ-QGZVFWFLSA-N 1 1 338.492 3.440 50 0 EGAAMO Cc1ccc([C@H](CNC(=O)c2ccc(-c3cc[nH]n3)cc2)[NH+](C)C)o1 ZINC000091656948 454454313 /nfs/dbraw/zinc/45/43/13/454454313.db2.gz XINFKTJIGVQUTQ-KRWDZBQOSA-N 1 1 338.411 3.011 50 0 EGAAMO Cc1cc(N2CCC[N@H+](CC(C)C)CC2)nc(-c2cccnc2)n1 ZINC000065387142 454557182 /nfs/dbraw/zinc/55/71/82/454557182.db2.gz QIEYBROERYMOMA-UHFFFAOYSA-N 1 1 325.460 3.015 50 0 EGAAMO COc1ccc(C[N@H+]2CCC=C([C@@H]3CCCCN3C(C)=O)C2)cc1 ZINC000065395636 454558808 /nfs/dbraw/zinc/55/88/08/454558808.db2.gz PRQPRVMXHIWJHX-FQEVSTJZSA-N 1 1 328.456 3.228 50 0 EGAAMO O=C(Cc1cccc(F)c1)N1CCC[N@@H+](Cc2ccsc2)CC1 ZINC000092535374 454582487 /nfs/dbraw/zinc/58/24/87/454582487.db2.gz BKZZSNPYDXPHRL-UHFFFAOYSA-N 1 1 332.444 3.164 50 0 EGAAMO O=C(c1cncc(F)c1)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000127480491 454969140 /nfs/dbraw/zinc/96/91/40/454969140.db2.gz ASUHAKQYQRYXEU-UHFFFAOYSA-N 1 1 341.430 3.001 50 0 EGAAMO CSCC[C@H](C(=O)NC[C@@H]1CCC[N@H+]2CCCC[C@H]12)n1cccc1 ZINC000253406190 455840142 /nfs/dbraw/zinc/84/01/42/455840142.db2.gz ITDNLKJUIHRNCA-RCCFBDPRSA-N 1 1 349.544 3.163 50 0 biogenic EGAAMO CCO[C@H]1C[N@@H+](C)C[C@@H]1NC(=O)c1ccccc1-c1ccccc1C ZINC000219833013 456036451 /nfs/dbraw/zinc/03/64/51/456036451.db2.gz JYZAMXLHCPXZAI-PMACEKPBSA-N 1 1 338.451 3.111 50 0 EGAAMO COc1ccc(C(=O)NC[C@H](c2ccsc2)[NH+]2CCC2)cc1F ZINC000225594215 456095801 /nfs/dbraw/zinc/09/58/01/456095801.db2.gz LBLKHTYSZRMRQP-OAHLLOKOSA-N 1 1 334.416 3.073 50 0 EGAAMO CO[C@@H]1CC[C@@]2(OC)CC[N@@H+](Cc3c[nH]nc3-c3ccccc3)[C@H]2C1 ZINC000299774369 456781049 /nfs/dbraw/zinc/78/10/49/456781049.db2.gz HJPIXCNLORLVKI-WSTZPKSXSA-N 1 1 341.455 3.235 50 0 EGAAMO Cc1ccc(N2CC[C@@]3(C2)CCC[N@@H+](CCc2ccccc2)C3)nn1 ZINC000426414326 457826979 /nfs/dbraw/zinc/82/69/79/457826979.db2.gz JZEBJGAPOJBXOS-NRFANRHFSA-N 1 1 336.483 3.320 50 0 EGAAMO O=C([C@@H]1CCC[N@H+]2CCCC[C@H]12)N1CCC(Cc2cccnc2)CC1 ZINC000426726700 457887099 /nfs/dbraw/zinc/88/70/99/457887099.db2.gz FGHNEQAIPDNRPS-WOJBJXKFSA-N 1 1 341.499 3.127 50 0 EGAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)N(Cc1ccccn1)C1CCCCC1 ZINC000426740438 457890051 /nfs/dbraw/zinc/89/00/51/457890051.db2.gz JEIPYRSPZPWCOC-LJQANCHMSA-N 1 1 344.503 3.410 50 0 EGAAMO O=C(NCCF)NC[C@@H](c1ccc(Cl)cc1)[NH+]1CCCCC1 ZINC000534631709 459339086 /nfs/dbraw/zinc/33/90/86/459339086.db2.gz FZIYEUORIVJHHZ-HNNXBMFYSA-N 1 1 327.831 3.136 50 0 EGAAMO C[C@H](CCNc1ccc2cccc(Cl)c2n1)N1CC[NH+](C)CC1 ZINC000534670091 478169149 /nfs/dbraw/zinc/16/91/49/478169149.db2.gz OBFYVZPHMYQARK-CQSZACIVSA-N 1 1 332.879 3.326 50 0 EGAAMO COc1cccc2c1OCCC[N@H+](Cc1ccc3c(c1)OCO3)C2 ZINC000216492900 536960812 /nfs/dbraw/zinc/96/08/12/536960812.db2.gz GPUABFIIKNMZBS-UHFFFAOYSA-N 1 1 327.380 3.209 50 0 EGAAMO COc1cccc2c1OCCC[N@@H+](Cc1ccc3c(c1)OCO3)C2 ZINC000216492900 536960816 /nfs/dbraw/zinc/96/08/16/536960816.db2.gz GPUABFIIKNMZBS-UHFFFAOYSA-N 1 1 327.380 3.209 50 0 EGAAMO CCNC(=O)c1ccc(NCC[C@@H]2CCCC[N@H+]2C2CCCC2)nc1 ZINC000670437331 548216132 /nfs/dbraw/zinc/21/61/32/548216132.db2.gz AOOLDEZCTMNNSF-SFHVURJKSA-N 1 1 344.503 3.430 50 0 EGAAMO O[C@]1(c2ccccc2)CC[N@H+](C2CCN(Cc3ccccc3)CC2)C1 ZINC000670445959 548217485 /nfs/dbraw/zinc/21/74/85/548217485.db2.gz CQCOIMLVGBOPAC-JOCHJYFZSA-N 1 1 336.479 3.245 50 0 EGAAMO CCCn1cc(C[N@H+]2CCC[C@](CO)(Cc3ccccc3)C2)c(C)n1 ZINC000012595709 1291132755 /nfs/dbraw/zinc/13/27/55/1291132755.db2.gz QZBGDYGCGLLREA-NRFANRHFSA-N 1 1 341.499 3.419 50 0 EGAAMO C/C=C(\C)C[N@@H+]1CC[C@]2(C1)CCCN(Cc1cccc(OC)c1)C2=O ZINC000012578241 1291133339 /nfs/dbraw/zinc/13/33/39/1291133339.db2.gz MDXSZIFCOGZXAM-VREQBZOKSA-N 1 1 342.483 3.476 50 0 EGAAMO CCCc1ncc(CN2CC[C@@]3(C2)CCC[N@@H+](CC2CC2)C3)cn1 ZINC000055211475 1291776332 /nfs/dbraw/zinc/77/63/32/1291776332.db2.gz BVFJDRKUFGTMRM-FQEVSTJZSA-N 1 1 328.504 3.127 50 0 EGAAMO Cc1cnccc1CNC(=O)[C@H](c1ccc(F)cc1)[NH+]1CCCCC1 ZINC000827647768 1292351037 /nfs/dbraw/zinc/35/10/37/1292351037.db2.gz XAGCPDMLSMUAGI-IBGZPJMESA-N 1 1 341.430 3.373 50 0 EGAAMO CC(=O)c1cc(CC(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)cs1 ZINC000827855272 1292388540 /nfs/dbraw/zinc/38/85/40/1292388540.db2.gz QEDLFVPITMZBRX-OAHLLOKOSA-N 1 1 346.452 3.040 50 0 EGAAMO Cc1cc(C(=O)N2CC[NH2+][C@@H](c3ccccc3)C2)c2ccc(F)cc2n1 ZINC000082137154 1292677766 /nfs/dbraw/zinc/67/77/66/1292677766.db2.gz PMJWTPZGPRURMM-HXUWFJFHSA-N 1 1 349.409 3.469 50 0 EGAAMO C[C@@H](C(=O)Nc1ccccc1C[NH+]1CCCC1)N1CCC(C)CC1 ZINC000952972579 1334627538 /nfs/dbraw/zinc/62/75/38/1334627538.db2.gz GEMCZAZKFVBPOG-KRWDZBQOSA-N 1 1 329.488 3.341 50 0 EGAAMO Cc1[nH+]ccn1CCC(=O)N(CCc1ccccc1)Cc1cccnc1 ZINC000952982779 1334629933 /nfs/dbraw/zinc/62/99/33/1334629933.db2.gz RQCCEZQOTYNAQO-UHFFFAOYSA-N 1 1 348.450 3.248 50 0 EGAAMO CCc1ccc(C[N@@H+]2CCCN(C(=O)C3CCCCC3)CC2)nc1 ZINC001231642447 1376291441 /nfs/dbraw/zinc/29/14/41/1376291441.db2.gz ARZOOZCKCTYWPA-UHFFFAOYSA-N 1 1 329.488 3.259 50 0 EGAAMO CCc1ccc(C[N@H+]2CCCN(C(=O)C3CCCCC3)CC2)nc1 ZINC001231642447 1376291449 /nfs/dbraw/zinc/29/14/49/1376291449.db2.gz ARZOOZCKCTYWPA-UHFFFAOYSA-N 1 1 329.488 3.259 50 0 EGAAMO CO[C@@H]1CCC[C@@]12CCC[N@@H+](Cc1cnc(N3CCCCC3)nc1)C2 ZINC001704302087 1416433843 /nfs/dbraw/zinc/43/38/43/1416433843.db2.gz BJGSZAYGXYPBNT-QUCCMNQESA-N 1 1 344.503 3.248 50 0 EGAAMO Cc1cc(C)n(CCC[N@H+](C)Cc2cc(C(N)=O)oc2C(C)(C)C)n1 ZINC001704348029 1416451577 /nfs/dbraw/zinc/45/15/77/1416451577.db2.gz AJLCJALXOXAGGB-UHFFFAOYSA-N 1 1 346.475 3.011 50 0 EGAAMO CCn1ccnc1[C@@H]1CCC[N@@H+](Cc2ccc(OC)c(COC)c2)C1 ZINC001704352762 1416453176 /nfs/dbraw/zinc/45/31/76/1416453176.db2.gz FJRLKXLYPSPEFQ-QGZVFWFLSA-N 1 1 343.471 3.438 50 0 EGAAMO COC(C)(C)C[C@@H](C)[N@H+]1CCCN(C(=O)Cc2ccccc2C)CC1 ZINC001772805105 1441417346 /nfs/dbraw/zinc/41/73/46/1441417346.db2.gz HNNFBKSXNVFKDW-GOSISDBHSA-N 1 1 346.515 3.275 50 0 EGAAMO Cc1cc(C)c(C[NH2+][C@H](CC(C)C)c2ncnn2C)c(C)c1CO ZINC000055383667 214314418 /nfs/dbraw/zinc/31/44/18/214314418.db2.gz QIXKRMNHWZWNAU-GOSISDBHSA-N 1 1 330.476 3.110 50 0 EGAAMO COCCn1ccnc1C[N@H+]1CCCC[C@@H]1CCc1ccc(O)cc1 ZINC000055393400 214316669 /nfs/dbraw/zinc/31/66/69/214316669.db2.gz RQCHNRKOWPFPKL-GOSISDBHSA-N 1 1 343.471 3.222 50 0 EGAAMO CC(=O)Oc1c(C)cc(C[N@H+](Cc2cnn(C)c2)C2CC2)cc1C ZINC000055341521 214308500 /nfs/dbraw/zinc/30/85/00/214308500.db2.gz MHUBPHJPEWPRLS-UHFFFAOYSA-N 1 1 327.428 3.127 50 0 EGAAMO COc1cc(C)sc1C(=O)N[C@@H](C)C[N@H+]1CCc2ccccc2C1 ZINC000215558179 536708656 /nfs/dbraw/zinc/70/86/56/536708656.db2.gz XXRYTMXSPXAPLS-ZDUSSCGKSA-N 1 1 344.480 3.242 50 0 EGAAMO CCOC(=O)[C@@H]1CC2(CCN(Cc3ccccc3)CC2)[N@H+]2CCC[C@H]12 ZINC000004342725 210175964 /nfs/dbraw/zinc/17/59/64/210175964.db2.gz XQKPAWKYOKHCKG-RTBURBONSA-N 1 1 342.483 3.069 50 0 EGAAMO C[N@H+]1CCC[C@H]1CCNc1nccc(-c2cnn(-c3ccccc3)c2)n1 ZINC000048428264 213938103 /nfs/dbraw/zinc/93/81/03/213938103.db2.gz YBRRUPQCINBFGT-KRWDZBQOSA-N 1 1 348.454 3.226 50 0 EGAAMO C[N@@H+](C[C@@H](O)COc1ccc(Br)cc1)C1CCCCC1 ZINC000004279530 210160014 /nfs/dbraw/zinc/16/00/14/210160014.db2.gz VMQJVBWPVQEVIE-OAHLLOKOSA-N 1 1 342.277 3.453 50 0 EGAAMO CCNC(=O)[C@@H]1CC[N@@H+](Cc2nc(-c3cccc(Cl)c3)oc2C)C1 ZINC000067473084 215150877 /nfs/dbraw/zinc/15/08/77/215150877.db2.gz RGOQLOGKOFWEIG-CQSZACIVSA-N 1 1 347.846 3.261 50 0 EGAAMO COc1ccc2ccccc2c1C[N@H+]1CCC[C@@H](CNC(C)=O)C1 ZINC000067472734 215150993 /nfs/dbraw/zinc/15/09/93/215150993.db2.gz AMDQGUVPVATUCY-INIZCTEOSA-N 1 1 326.440 3.197 50 0 EGAAMO O=C(NC[C@@H]1CC[N@@H+](Cc2cc3ccccc3[nH]2)C1)c1ccsc1 ZINC000067769451 215207972 /nfs/dbraw/zinc/20/79/72/215207972.db2.gz UEMRLNVNFSJFOV-AWEZNQCLSA-N 1 1 339.464 3.481 50 0 EGAAMO Cc1cc(C[N@@H+]2CCC[C@H](C)C2)c(C)c(-c2nccn2CCO)c1 ZINC000067774707 215209666 /nfs/dbraw/zinc/20/96/66/215209666.db2.gz YOEOPTAYYIFIBX-HNNXBMFYSA-N 1 1 327.472 3.391 50 0 EGAAMO Cc1c2cc(F)ccc2[nH]c1C[N@H+]1CC[C@@H](CNC(=O)C2CCC2)C1 ZINC000067847551 215229491 /nfs/dbraw/zinc/22/94/91/215229491.db2.gz QEDQKFYFGVJXRA-AWEZNQCLSA-N 1 1 343.446 3.354 50 0 EGAAMO C[N@@H+]1[C@@H]2CC[C@H]1CCN(C(=O)c1csc(-c3cccs3)n1)C2 ZINC000067840263 215225608 /nfs/dbraw/zinc/22/56/08/215225608.db2.gz UTIQDDRFNHLMGN-NWDGAFQWSA-N 1 1 333.482 3.180 50 0 EGAAMO Cc1cc(C[N@H+]2CC[C@@H](c3ccc4c(c3)OCO4)[C@H](O)C2)sc1C ZINC000067867569 215234103 /nfs/dbraw/zinc/23/41/03/215234103.db2.gz PTAKFOPOAKHYGK-DLBZAZTESA-N 1 1 345.464 3.444 50 0 EGAAMO Cc1ccccc1C[N@H+]1CCN(Cc2cccc(F)c2)C[C@H]1CCO ZINC000104351644 219378391 /nfs/dbraw/zinc/37/83/91/219378391.db2.gz WAEXKTJJWYLFNN-OAQYLSRUSA-N 1 1 342.458 3.203 50 0 EGAAMO CC(C)(C)C[N@H+]1CCN(Cc2cccc3cccnc32)C[C@H]1CCO ZINC000104386876 219383896 /nfs/dbraw/zinc/38/38/96/219383896.db2.gz JTJKGUXXWOJSND-LJQANCHMSA-N 1 1 341.499 3.150 50 0 EGAAMO Cn1cc(CN2CC[N@@H+](CC(C)(C)C)[C@H](CCO)C2)c2ccccc21 ZINC000104426273 219385833 /nfs/dbraw/zinc/38/58/33/219385833.db2.gz QIXYCRHQGZCCGT-GOSISDBHSA-N 1 1 343.515 3.093 50 0 EGAAMO Cc1ccc(CN2CC[N@@H+](Cc3cccs3)[C@H](CCO)C2)cc1 ZINC000039537988 213239975 /nfs/dbraw/zinc/23/99/75/213239975.db2.gz ZBSBIJDMMZWUSF-GOSISDBHSA-N 1 1 330.497 3.125 50 0 EGAAMO Cc1ccc(C[N@@H+]2CCN(Cc3cccs3)[C@H](CCO)C2)cc1 ZINC000039537988 213239981 /nfs/dbraw/zinc/23/99/81/213239981.db2.gz ZBSBIJDMMZWUSF-GOSISDBHSA-N 1 1 330.497 3.125 50 0 EGAAMO Cc1ccc(C[N@H+]2CCN(Cc3cccs3)[C@H](CCO)C2)cc1 ZINC000039537988 213239984 /nfs/dbraw/zinc/23/99/84/213239984.db2.gz ZBSBIJDMMZWUSF-GOSISDBHSA-N 1 1 330.497 3.125 50 0 EGAAMO Cc1cc(CN2CC[N@H+](C3CCCCC3)[C@H](CCO)C2)cc(C)c1O ZINC000039516046 213238183 /nfs/dbraw/zinc/23/81/83/213238183.db2.gz UGUMZYSJRBMBHP-HXUWFJFHSA-N 1 1 346.515 3.210 50 0 EGAAMO CCN(CC)C(=O)C[N@H+]1CCC[C@H](CCc2c(F)cccc2F)C1 ZINC000072146204 216031855 /nfs/dbraw/zinc/03/18/55/216031855.db2.gz XQAYOFYSSOJVKO-OAHLLOKOSA-N 1 1 338.442 3.478 50 0 EGAAMO Fc1ccc([C@H]2CCC[N@H+]2Cc2cnc(N3CCOCC3)s2)cc1 ZINC000072146177 216032530 /nfs/dbraw/zinc/03/25/30/216032530.db2.gz YBPOXRHYWYPEND-QGZVFWFLSA-N 1 1 347.459 3.456 50 0 EGAAMO CCc1cc(N2CCC(CCn3cc[nH+]c3C)CC2)n2nccc2n1 ZINC000072153905 216042723 /nfs/dbraw/zinc/04/27/23/216042723.db2.gz QDKKZLCHOQFEGU-UHFFFAOYSA-N 1 1 338.459 3.103 50 0 EGAAMO COc1cccc(CC[C@H]2CCC[N@@H+](CCC(=O)NC(C)C)C2)c1 ZINC000072166415 216056455 /nfs/dbraw/zinc/05/64/55/216056455.db2.gz SGUPFTSUGOYIIF-GOSISDBHSA-N 1 1 332.488 3.255 50 0 EGAAMO O=C(C1CCOCC1)N1CCC[C@H]1[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000072280488 216109103 /nfs/dbraw/zinc/10/91/03/216109103.db2.gz AIVGRMJDKOEQFS-UXHICEINSA-N 1 1 342.483 3.069 50 0 EGAAMO CN1C(=O)[C@H]2CC[C@@H]1C[N@H+](Cc1ccc(-c3ccccc3)s1)C2 ZINC000072412411 216204994 /nfs/dbraw/zinc/20/49/94/216204994.db2.gz ULJZCJGKXBIHOP-JKSUJKDBSA-N 1 1 326.465 3.468 50 0 EGAAMO Cc1cc2nc(C)cc(N[C@H]3CCC[N@@H+](Cc4ccccc4)C3)n2n1 ZINC000072420228 216208777 /nfs/dbraw/zinc/20/87/77/216208777.db2.gz IACZSAPZPLYWLY-SFHVURJKSA-N 1 1 335.455 3.423 50 0 EGAAMO CN(Cc1cnn(-c2ccc(F)cc2)c1)Cc1cccc(CC[NH3+])c1 ZINC000072421200 216209544 /nfs/dbraw/zinc/20/95/44/216209544.db2.gz BBZHTEUAYIAXTG-UHFFFAOYSA-N 1 1 338.430 3.145 50 0 EGAAMO CCC[N@H+]1CC2(C[C@H]1C(=O)[O-])CC[NH+](Cc1ccc(C)cc1F)CC2 ZINC000072469385 216248764 /nfs/dbraw/zinc/24/87/64/216248764.db2.gz VCCKZDJODIXRJJ-SFHVURJKSA-N 1 1 348.462 3.285 50 0 EGAAMO CN1CC[N@@H+](Cc2ccc(Cn3cccn3)cc2)[C@@H](c2ccccc2)C1 ZINC000215020961 241103085 /nfs/dbraw/zinc/10/30/85/241103085.db2.gz HRBYVNMDLYDLJL-JOCHJYFZSA-N 1 1 346.478 3.420 50 0 EGAAMO C[N@@H+]1CCN(Cc2ccc(Cn3cccn3)cc2)[C@@H](c2ccccc2)C1 ZINC000215020961 241103088 /nfs/dbraw/zinc/10/30/88/241103088.db2.gz HRBYVNMDLYDLJL-JOCHJYFZSA-N 1 1 346.478 3.420 50 0 EGAAMO C[N@H+]1CCN(Cc2ccc(Cn3cccn3)cc2)[C@@H](c2ccccc2)C1 ZINC000215020961 241103092 /nfs/dbraw/zinc/10/30/92/241103092.db2.gz HRBYVNMDLYDLJL-JOCHJYFZSA-N 1 1 346.478 3.420 50 0 EGAAMO Cc1[nH+]ccn1CCC(=O)NCCc1nc(-c2ccccc2)cs1 ZINC000215263622 241114783 /nfs/dbraw/zinc/11/47/83/241114783.db2.gz RFTWFHOJJYZDLT-UHFFFAOYSA-N 1 1 340.452 3.064 50 0 EGAAMO c1cc([C@@H]2CCCCO2)oc1C[N@H+]1CCCN(c2ncccn2)CC1 ZINC000215668529 241138107 /nfs/dbraw/zinc/13/81/07/241138107.db2.gz LTQIHCYCYVKBPB-KRWDZBQOSA-N 1 1 342.443 3.024 50 0 EGAAMO Cn1c2ccccc2nc1[C@H]1CCC[N@H+]1CCC(=O)Nc1cccnc1 ZINC000244690914 243056424 /nfs/dbraw/zinc/05/64/24/243056424.db2.gz IZIIKWZISMOQBO-GOSISDBHSA-N 1 1 349.438 3.134 50 0 EGAAMO Fc1ccc(-c2c[nH]nc2[C@@H]2CCC[N@@H+](Cc3cc[nH]n3)C2)cc1 ZINC000020775001 212169515 /nfs/dbraw/zinc/16/95/15/212169515.db2.gz RHWFANXVHCQTNS-CQSZACIVSA-N 1 1 325.391 3.319 50 0 EGAAMO OCC[C@H]1CN(Cc2cc(F)ccc2F)CC[N@H+]1C1CCCCC1 ZINC000020450999 212129732 /nfs/dbraw/zinc/12/97/32/212129732.db2.gz JBHCUQJQQPAWDB-SFHVURJKSA-N 1 1 338.442 3.166 50 0 EGAAMO O=C(CCc1c[nH]c2ccccc12)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020426433 212127887 /nfs/dbraw/zinc/12/78/87/212127887.db2.gz DNDNKOQFMIFXMK-UHFFFAOYSA-N 1 1 347.462 3.445 50 0 EGAAMO CN(C)c1cccc(C(=O)N2CCC[N@H+](C3CCCCC3)CC2)c1 ZINC000077392279 216893605 /nfs/dbraw/zinc/89/36/05/216893605.db2.gz AMMLDNXOPIXPDG-UHFFFAOYSA-N 1 1 329.488 3.233 50 0 EGAAMO S=C(NCCC[NH+]1CCOCC1)Nc1ccc(Cl)cc1Cl ZINC000019885045 212079924 /nfs/dbraw/zinc/07/99/24/212079924.db2.gz CXVFYUJJBKRNNI-UHFFFAOYSA-N 1 1 348.299 3.002 50 0 EGAAMO C[NH+]1CCC(N2CCN(C(c3ccccc3)c3ccccc3)CC2)CC1 ZINC000019359934 212021503 /nfs/dbraw/zinc/02/15/03/212021503.db2.gz OVYYKYUCNCGBKJ-UHFFFAOYSA-N 1 1 349.522 3.488 50 0 EGAAMO CN(C(=O)c1cscn1)[C@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000012429810 211377633 /nfs/dbraw/zinc/37/76/33/211377633.db2.gz GLSNYJGDDDBJPS-AWEZNQCLSA-N 1 1 333.432 3.019 50 0 EGAAMO CN(C(=O)c1cscn1)[C@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000012429810 211377635 /nfs/dbraw/zinc/37/76/35/211377635.db2.gz GLSNYJGDDDBJPS-AWEZNQCLSA-N 1 1 333.432 3.019 50 0 EGAAMO O=C(CCc1ccncc1)N[C@H]1CCC[N@@H+](CC2CCCCC2)C1 ZINC000012440149 211381317 /nfs/dbraw/zinc/38/13/17/211381317.db2.gz ZDHUEDOAPGGJEQ-IBGZPJMESA-N 1 1 329.488 3.175 50 0 EGAAMO CCOC(=O)[C@@]1(Cc2ccccc2C)CCC[N@H+](Cc2cc[nH]n2)C1 ZINC000012433552 211380748 /nfs/dbraw/zinc/38/07/48/211380748.db2.gz MNZXVACXFGPFKG-HXUWFJFHSA-N 1 1 341.455 3.106 50 0 EGAAMO CCOC(=O)[C@@]1(Cc2ccccc2C)CCC[N@@H+](Cc2cc[nH]n2)C1 ZINC000012433552 211380750 /nfs/dbraw/zinc/38/07/50/211380750.db2.gz MNZXVACXFGPFKG-HXUWFJFHSA-N 1 1 341.455 3.106 50 0 EGAAMO Cc1ncoc1C(=O)N1CC[C@]2(C1)CCC[N@@H+](CC1CCCCC1)C2 ZINC000012302975 211340304 /nfs/dbraw/zinc/34/03/04/211340304.db2.gz OXVCRDVAEOHWNB-HXUWFJFHSA-N 1 1 345.487 3.491 50 0 EGAAMO COc1ccccc1N1CCC([N@H+]2CC[C@@](O)(C3CC3)[C@H](C)C2)CC1 ZINC000091288557 217989908 /nfs/dbraw/zinc/98/99/08/217989908.db2.gz FYJNCQZLIFGOLB-IERDGZPVSA-N 1 1 344.499 3.147 50 0 EGAAMO CCc1noc(C)c1C(=O)N[C@@H]1CCC[N@@H+](CC2CCCCC2)C1 ZINC000012005631 211280044 /nfs/dbraw/zinc/28/00/44/211280044.db2.gz OKSMWERNAWOODK-MRXNPFEDSA-N 1 1 333.476 3.320 50 0 EGAAMO C[C@]1(Cc2ccc3c(c2)OCO3)CCC[N@@H+](Cc2cncnc2)C1 ZINC000091444725 218006999 /nfs/dbraw/zinc/00/69/99/218006999.db2.gz OPKKBJZCOKYUPG-LJQANCHMSA-N 1 1 325.412 3.050 50 0 EGAAMO COCC[C@]1(CO)CCC[N@H+](C2CCN(c3ccccc3C)CC2)C1 ZINC000091587518 218026729 /nfs/dbraw/zinc/02/67/29/218026729.db2.gz QPEAGMATTSIMMP-OAQYLSRUSA-N 1 1 346.515 3.075 50 0 EGAAMO CCC[N@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1ccc3ccn(C)c3c1)C2 ZINC000091643312 218036880 /nfs/dbraw/zinc/03/68/80/218036880.db2.gz RXXZPMLMSGCXMT-CRAIPNDOSA-N 1 1 325.456 3.125 50 0 EGAAMO COCC[C@@]1(CO)CCC[N@@H+](Cc2ccccc2C(F)(F)F)C1 ZINC000091847870 218075843 /nfs/dbraw/zinc/07/58/43/218075843.db2.gz REBGYUUEXRSRLY-INIZCTEOSA-N 1 1 331.378 3.316 50 0 EGAAMO Cc1ccccc1[C@H](C(=O)NCc1cc(CC(C)C)no1)[NH+](C)C ZINC000095375698 218309334 /nfs/dbraw/zinc/30/93/34/218309334.db2.gz IEJMOAFDCIESOQ-GOSISDBHSA-N 1 1 329.444 3.101 50 0 EGAAMO Cc1nc(CCNC(=O)CC[C@H]2CCCC[N@@H+]2C)sc1Cl ZINC000095388933 218320357 /nfs/dbraw/zinc/32/03/57/218320357.db2.gz ZVSBKJRNMRSNCU-GFCCVEGCSA-N 1 1 329.897 3.028 50 0 EGAAMO C[N@@H+]1CCCC[C@H]1C(=O)NCCSCc1cccc(Cl)c1 ZINC000097301431 219010658 /nfs/dbraw/zinc/01/06/58/219010658.db2.gz PNHAIDMINRKRAC-HNNXBMFYSA-N 1 1 326.893 3.174 50 0 EGAAMO C[N@H+]1CCCC[C@H]1C(=O)NCCSCc1cccc(Cl)c1 ZINC000097301431 219010661 /nfs/dbraw/zinc/01/06/61/219010661.db2.gz PNHAIDMINRKRAC-HNNXBMFYSA-N 1 1 326.893 3.174 50 0 EGAAMO Cc1nc(C2CC[NH+](Cc3cnc(-c4cccc(C)c4)nc3)CC2)n[nH]1 ZINC000097572232 219036498 /nfs/dbraw/zinc/03/64/98/219036498.db2.gz SZEXOKVKJDBRML-UHFFFAOYSA-N 1 1 348.454 3.258 50 0 EGAAMO Cc1nnc(C2CC[NH+](Cc3cnc(-c4cccc(C)c4)nc3)CC2)[nH]1 ZINC000097572232 219036501 /nfs/dbraw/zinc/03/65/01/219036501.db2.gz SZEXOKVKJDBRML-UHFFFAOYSA-N 1 1 348.454 3.258 50 0 EGAAMO COc1ccc(C[N@H+]2CC[C@@](O)(c3ccccc3)C2)c(Cl)c1OC ZINC000097594807 219037397 /nfs/dbraw/zinc/03/73/97/219037397.db2.gz VFKNZPZQOFLBTQ-IBGZPJMESA-N 1 1 347.842 3.451 50 0 EGAAMO C/C(=C\c1ccco1)CN1CC[N@H+](Cc2ccc(C)o2)[C@H](CCO)C1 ZINC000036385626 258003736 /nfs/dbraw/zinc/00/37/36/258003736.db2.gz YAVRFSWMIYEWNA-FXFXYLOPSA-N 1 1 344.455 3.153 50 0 EGAAMO C/C(=C\c1ccco1)CN1CC[N@@H+](Cc2ccc(C)o2)[C@H](CCO)C1 ZINC000036385626 258003738 /nfs/dbraw/zinc/00/37/38/258003738.db2.gz YAVRFSWMIYEWNA-FXFXYLOPSA-N 1 1 344.455 3.153 50 0 EGAAMO O=C(NCC[N@H+]1CC[C@H](c2ccccc2)C1)Nc1ccc2n[nH]cc2c1 ZINC000299772216 258084374 /nfs/dbraw/zinc/08/43/74/258084374.db2.gz SHCCYAWZOMOGOD-INIZCTEOSA-N 1 1 349.438 3.174 50 0 EGAAMO CCCC[N@H+]1CCn2nc(CNC(=O)c3ccccc3Cl)cc2C1 ZINC000299786955 258093981 /nfs/dbraw/zinc/09/39/81/258093981.db2.gz OILFKDFJWQYCEM-UHFFFAOYSA-N 1 1 346.862 3.082 50 0 EGAAMO COc1ccc2c(c1)nc(C)cc2C(=O)N(C)C[C@@H]1CCCC[N@H+]1C ZINC000299797024 258100951 /nfs/dbraw/zinc/10/09/51/258100951.db2.gz TWEFWWZRDUUEOM-HNNXBMFYSA-N 1 1 341.455 3.108 50 0 EGAAMO COc1ccc2c(c1)[C@H](NC(=O)CCn1cc[nH+]c1C)CC(C)(C)O2 ZINC000299802986 258105600 /nfs/dbraw/zinc/10/56/00/258105600.db2.gz TWKZOCMFQMBITG-MRXNPFEDSA-N 1 1 343.427 3.009 50 0 EGAAMO O=C(NCC1(O)CCCCC1)[C@H]1C[C@@H](c2ccccc2)[N@H+]2CCC[C@H]12 ZINC000299802512 258105658 /nfs/dbraw/zinc/10/56/58/258105658.db2.gz YCAHFYGLQAMEFP-OTWHNJEPSA-N 1 1 342.483 3.023 50 0 EGAAMO c1cnn(Cc2nc([C@H]3C[C@@H](c4ccccc4)[N@H+]4CCC[C@H]34)no2)c1 ZINC000299768248 258082716 /nfs/dbraw/zinc/08/27/16/258082716.db2.gz RTFQUIHRLXKLEG-BBWFWOEESA-N 1 1 335.411 3.007 50 0 EGAAMO COc1cc(C[NH+]2CCN(c3ccccc3OC)CC2)cc(OC)c1 ZINC000055031715 132193206 /nfs/dbraw/zinc/19/32/06/132193206.db2.gz PJYBTOSELLZDAY-UHFFFAOYSA-N 1 1 342.439 3.035 50 0 EGAAMO Fc1ccc(C[N@@H+]2CCC[C@@H](CN3CCOCC3)C2)c(Cl)c1 ZINC000069804121 454146297 /nfs/dbraw/zinc/14/62/97/454146297.db2.gz IEOKCKPRAPJWQD-AWEZNQCLSA-N 1 1 326.843 3.023 50 0 EGAAMO Fc1ccc(C[N@H+]2CCC[C@@H](CN3CCOCC3)C2)c(Cl)c1 ZINC000069804121 454146301 /nfs/dbraw/zinc/14/63/01/454146301.db2.gz IEOKCKPRAPJWQD-AWEZNQCLSA-N 1 1 326.843 3.023 50 0 EGAAMO CCc1cc(Cl)ccc1NC(=O)N1CC[NH+](CCSC)CC1 ZINC000096166735 454296462 /nfs/dbraw/zinc/29/64/62/454296462.db2.gz DBJXKLZEICECSR-UHFFFAOYSA-N 1 1 341.908 3.415 50 0 EGAAMO C[N@@H+](CCC(=O)NC1CCCCC1)Cc1nc2cc(Cl)ccc2[nH]1 ZINC000244866521 455276383 /nfs/dbraw/zinc/27/63/83/455276383.db2.gz VXPUACSYBIFBGY-UHFFFAOYSA-N 1 1 348.878 3.487 50 0 EGAAMO CN(CCC(=O)NC1CCCCC1)Cc1nc2ccc(Cl)cc2[nH]1 ZINC000244866521 455276390 /nfs/dbraw/zinc/27/63/90/455276390.db2.gz VXPUACSYBIFBGY-UHFFFAOYSA-N 1 1 348.878 3.487 50 0 EGAAMO COc1ccc(C[NH+]2CCN(c3ccc(Cl)cc3)CC2)cc1O ZINC000000292318 452553667 /nfs/dbraw/zinc/55/36/67/452553667.db2.gz PLGDPGYLRPGCMK-UHFFFAOYSA-N 1 1 332.831 3.376 50 0 EGAAMO CC[C@@H]1CCCC[N@H+]1C[C@H](O)COc1ccc2c(C)cc(=O)oc2c1 ZINC000004749968 452816038 /nfs/dbraw/zinc/81/60/38/452816038.db2.gz VWTJHCNAEQPSPB-CVEARBPZSA-N 1 1 345.439 3.106 50 0 EGAAMO CCOC(=O)c1c[nH+]c2c(C)c(C)ccc2c1NCCCCCO ZINC000006077483 452919647 /nfs/dbraw/zinc/91/96/47/452919647.db2.gz RYKJAONTGGJQCC-UHFFFAOYSA-N 1 1 330.428 3.025 50 0 EGAAMO CSCC(=O)N(C)C[C@H]1CCC[N@@H+](CCc2ccccc2C)C1 ZINC000012585203 453378110 /nfs/dbraw/zinc/37/81/10/453378110.db2.gz HLYDPGDHCQHUHV-QGZVFWFLSA-N 1 1 334.529 3.071 50 0 EGAAMO COc1cccc(NC(=O)N2CC[NH+](Cc3ccccc3C)CC2)c1 ZINC000013049022 453443765 /nfs/dbraw/zinc/44/37/65/453443765.db2.gz LSHMUSYJBMSVHM-UHFFFAOYSA-N 1 1 339.439 3.353 50 0 EGAAMO Cc1cccc(O[C@H](C)C(=O)N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000013744512 453486728 /nfs/dbraw/zinc/48/67/28/453486728.db2.gz NDTRRNHQQBSHHG-GOSISDBHSA-N 1 1 338.451 3.107 50 0 EGAAMO Cc1cc(C)n(CC[N@H+](C)Cc2c[nH]nc2-c2ccc(F)cc2F)n1 ZINC000015961761 453590001 /nfs/dbraw/zinc/59/00/01/453590001.db2.gz HNMMCJBJFDJZKH-UHFFFAOYSA-N 1 1 345.397 3.300 50 0 EGAAMO CCOC(=O)[C@H]1CCC[N@@H+](CCCOc2ccc(C)cc2OC)C1 ZINC000016527158 453610482 /nfs/dbraw/zinc/61/04/82/453610482.db2.gz DPEQRCTYWSLJKX-INIZCTEOSA-N 1 1 335.444 3.048 50 0 EGAAMO COCCC[N@H+]1CC[C@H](CNC(=O)CC23CC4CC(CC(C4)C2)C3)C1 ZINC000055153646 453966002 /nfs/dbraw/zinc/96/60/02/453966002.db2.gz OJMMHQNPWOTILI-HINLZNOGSA-N 1 1 348.531 3.068 50 0 EGAAMO CNc1cc[nH+]c(N2CC[C@@H](c3ccc4ccccc4c3)[C@H](O)C2)n1 ZINC000067805031 453967766 /nfs/dbraw/zinc/96/77/66/453967766.db2.gz DBHMVXLCPJOCPB-ZWKOTPCHSA-N 1 1 334.423 3.026 50 0 EGAAMO CC(=O)c1ccccc1C(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000067935014 453982027 /nfs/dbraw/zinc/98/20/27/453982027.db2.gz IILJWBDAXBQZMA-GOSISDBHSA-N 1 1 336.435 3.141 50 0 EGAAMO Cc1ccccc1-c1cc(O)c2c(c1)C[N@@H+](CCn1cccn1)CCO2 ZINC000067946991 453983146 /nfs/dbraw/zinc/98/31/46/453983146.db2.gz WVTKZHSPTVZQMR-UHFFFAOYSA-N 1 1 349.434 3.459 50 0 EGAAMO Cc1ccccc1-c1cc(O)c2c(c1)C[N@H+](CCn1cccn1)CCO2 ZINC000067946991 453983149 /nfs/dbraw/zinc/98/31/49/453983149.db2.gz WVTKZHSPTVZQMR-UHFFFAOYSA-N 1 1 349.434 3.459 50 0 EGAAMO CN(C)c1nc(Cl)c(CN2CCC[N@H+](C3CCCC3)CC2)s1 ZINC000077340823 454093888 /nfs/dbraw/zinc/09/38/88/454093888.db2.gz AGIGAJVKOKFPMT-UHFFFAOYSA-N 1 1 342.940 3.313 50 0 EGAAMO c1cn(CCc2csc(-c3cccnc3)n2)c([C@@H]2CCOC2)[nH+]1 ZINC000077516834 454116681 /nfs/dbraw/zinc/11/66/81/454116681.db2.gz BGRZDPXTNURWGE-CQSZACIVSA-N 1 1 326.425 3.148 50 0 EGAAMO Cc1[nH+]ccn1CC[C@@H]1CCCCN1C(=O)Cc1ccc(F)cc1 ZINC000077538608 454119794 /nfs/dbraw/zinc/11/97/94/454119794.db2.gz QBHIABMVNKKOEJ-SFHVURJKSA-N 1 1 329.419 3.345 50 0 EGAAMO O=C(c1ccoc1)N1C[C@H]2CC[C@@H]1C[N@@H+](Cc1ccc(F)cc1)C2 ZINC000095386552 454200705 /nfs/dbraw/zinc/20/07/05/454200705.db2.gz MZCKHHPZSOPNIA-MAUKXSAKSA-N 1 1 328.387 3.155 50 0 EGAAMO CC[C@@H]1C[N@@H+](Cc2cccc(C)n2)CCC(=O)N1Cc1ccccc1 ZINC000071439387 454207814 /nfs/dbraw/zinc/20/78/14/454207814.db2.gz DCGZNIWRWVATRI-HXUWFJFHSA-N 1 1 337.467 3.403 50 0 EGAAMO CC(C)c1[nH+]ccn1[C@@H](C)C(=O)N(C)Cc1cc(C(C)(C)C)n[nH]1 ZINC000095531482 454228661 /nfs/dbraw/zinc/22/86/61/454228661.db2.gz RTDPZGGTIGDDKE-ZDUSSCGKSA-N 1 1 331.464 3.247 50 0 EGAAMO COc1ccc(C[N@H+]2C[C@H]3CC[C@@H]2CN(Cc2ccccn2)C3)cc1 ZINC000091255377 454419757 /nfs/dbraw/zinc/41/97/57/454419757.db2.gz AKKPYWFTRWTEIM-AZUAARDMSA-N 1 1 337.467 3.187 50 0 EGAAMO COc1ccc(CN2C[C@H]3CC[C@@H]2C[N@H+](Cc2ccccn2)C3)cc1 ZINC000091255377 454419760 /nfs/dbraw/zinc/41/97/60/454419760.db2.gz AKKPYWFTRWTEIM-AZUAARDMSA-N 1 1 337.467 3.187 50 0 EGAAMO COc1ccc(CN2C[C@H]3CC[C@@H]2C[N@@H+](Cc2ccccn2)C3)cc1 ZINC000091255377 454419762 /nfs/dbraw/zinc/41/97/62/454419762.db2.gz AKKPYWFTRWTEIM-AZUAARDMSA-N 1 1 337.467 3.187 50 0 EGAAMO Cc1nc(-c2ccccc2)[nH]c1C(=O)NCC1(Cn2cc[nH+]c2C)CC1 ZINC000097492619 454438861 /nfs/dbraw/zinc/43/88/61/454438861.db2.gz TZVDKWJSCFPKQE-UHFFFAOYSA-N 1 1 349.438 3.100 50 0 EGAAMO CCCC[C@H]1C=CCN1C(=O)c1cc2n(n1)CCC[N@@H+](C(C)C)C2 ZINC000065375910 454556715 /nfs/dbraw/zinc/55/67/15/454556715.db2.gz OCGNGNHHNYOWAX-INIZCTEOSA-N 1 1 330.476 3.068 50 0 EGAAMO CCCC[C@H]1C=CCN1C(=O)c1cc2n(n1)CCC[N@H+](C(C)C)C2 ZINC000065375910 454556718 /nfs/dbraw/zinc/55/67/18/454556718.db2.gz OCGNGNHHNYOWAX-INIZCTEOSA-N 1 1 330.476 3.068 50 0 EGAAMO COc1ccc(C[NH2+][C@H](C)C(=O)Nc2ccc(C)cc2)c(F)c1F ZINC000065404500 454560239 /nfs/dbraw/zinc/56/02/39/454560239.db2.gz QARAGISFTOFDBN-GFCCVEGCSA-N 1 1 334.366 3.399 50 0 EGAAMO Cc1cccc(OCC[N@@H+]2CCCN(C(=O)c3ccco3)CC2)c1C ZINC000065398877 454560413 /nfs/dbraw/zinc/56/04/13/454560413.db2.gz YLNRNQWZJOAXOI-UHFFFAOYSA-N 1 1 342.439 3.123 50 0 EGAAMO Cc1cccc(OCC[N@H+]2CCCN(C(=O)c3ccco3)CC2)c1C ZINC000065398877 454560416 /nfs/dbraw/zinc/56/04/16/454560416.db2.gz YLNRNQWZJOAXOI-UHFFFAOYSA-N 1 1 342.439 3.123 50 0 EGAAMO C[N@@H+](CC(=O)NCc1ccccc1F)Cc1cccc2ncccc12 ZINC000065458924 454570293 /nfs/dbraw/zinc/57/02/93/454570293.db2.gz KJQQSGAVSFTRAQ-UHFFFAOYSA-N 1 1 337.398 3.122 50 0 EGAAMO C[N@@H+](Cc1ccccc1NC(=O)N[C@H]1CCOC1)C1CCCCC1 ZINC000179152150 455014164 /nfs/dbraw/zinc/01/41/64/455014164.db2.gz PORPTTJQZFTMNN-INIZCTEOSA-N 1 1 331.460 3.362 50 0 EGAAMO CC[C@H](O)c1cc2n(n1)CCC[N@H+](Cc1ccnc3ccccc13)C2 ZINC000220163909 456039084 /nfs/dbraw/zinc/03/90/84/456039084.db2.gz ZUVUQXAHCUIDHY-FQEVSTJZSA-N 1 1 336.439 3.281 50 0 EGAAMO CC[C@H](O)c1cc2n(n1)CCC[N@@H+](Cc1ccnc3ccccc13)C2 ZINC000220163909 456039087 /nfs/dbraw/zinc/03/90/87/456039087.db2.gz ZUVUQXAHCUIDHY-FQEVSTJZSA-N 1 1 336.439 3.281 50 0 EGAAMO Cc1[nH+]c(N)ccc1-c1cccc(C(=O)N(C)C[C@@H]2CCCCO2)c1 ZINC000426435067 457830425 /nfs/dbraw/zinc/83/04/25/457830425.db2.gz WYULJMCZVOVWFE-KRWDZBQOSA-N 1 1 339.439 3.111 50 0 EGAAMO C[N@H+]1CCC[C@H]1CCNC(=O)c1ccc(-c2cccc(F)c2O)cc1 ZINC000426519276 457847420 /nfs/dbraw/zinc/84/74/20/457847420.db2.gz POPAYTBPAWTFQO-INIZCTEOSA-N 1 1 342.414 3.412 50 0 EGAAMO CCOc1cccc(CN(C(=O)NC[C@H]2CC[N@@H+](CC)C2)C2CC2)c1 ZINC000426552309 457854105 /nfs/dbraw/zinc/85/41/05/457854105.db2.gz IREPSMNDYCZXIP-QGZVFWFLSA-N 1 1 345.487 3.101 50 0 EGAAMO Cc1c[nH]c(CN(C)C(=O)NCC[C@H]2CCCC[N@H+]2C2CCCC2)n1 ZINC000426597236 457860289 /nfs/dbraw/zinc/86/02/89/457860289.db2.gz NZFRNWPFGQKGEX-QGZVFWFLSA-N 1 1 347.507 3.047 50 0 EGAAMO CC(C)n1ccnc1CNc1c[nH+]c2c(Br)cccn12 ZINC000585139141 459828946 /nfs/dbraw/zinc/82/89/46/459828946.db2.gz LSXFJOFIKGGHNE-UHFFFAOYSA-N 1 1 334.221 3.486 50 0 EGAAMO COc1coc(C[N@@H+]2CCC[C@H](COc3ccccc3F)C2)cc1=O ZINC000670461646 548219968 /nfs/dbraw/zinc/21/99/68/548219968.db2.gz RMBPXHVGAPXSOW-AWEZNQCLSA-N 1 1 347.386 3.079 50 0 EGAAMO COc1coc(C[N@H+]2CCC[C@H](COc3ccccc3F)C2)cc1=O ZINC000670461646 548219971 /nfs/dbraw/zinc/21/99/71/548219971.db2.gz RMBPXHVGAPXSOW-AWEZNQCLSA-N 1 1 347.386 3.079 50 0 EGAAMO COc1ccc(CC[N@H+]2CCC[C@@H](CN(C)Cc3ccon3)C2)cc1 ZINC000015065255 1291145659 /nfs/dbraw/zinc/14/56/59/1291145659.db2.gz HPJYMVXXJWITJD-SFHVURJKSA-N 1 1 343.471 3.070 50 0 EGAAMO COCC[N@H+]1CC[C@H](CNc2ncc(C(F)(F)F)cc2Cl)C1 ZINC000065946526 1292099820 /nfs/dbraw/zinc/09/98/20/1292099820.db2.gz DDSACBCJMNCEAZ-SNVBAGLBSA-N 1 1 337.773 3.134 50 0 EGAAMO Cc1cc(C(=O)NC[C@H]2CC[N@@H+](Cc3ccncc3)C2)ccc1Cl ZINC000067714468 1292170015 /nfs/dbraw/zinc/17/00/15/1292170015.db2.gz MMTZPUAAXLQFMB-MRXNPFEDSA-N 1 1 343.858 3.295 50 0 EGAAMO COc1ccc(C[C@@H]2CC[C@H](C[N@@H+](C)Cc3ccoc3)O2)cc1CO ZINC000072478733 1292276061 /nfs/dbraw/zinc/27/60/61/1292276061.db2.gz DYYYCALIVMRQIN-RBUKOAKNSA-N 1 1 345.439 3.003 50 0 EGAAMO Cc1cc(C)cc(-c2nn3c(nnc3[C@@H]3CCC[N@H+](C)C3)s2)c1 ZINC000823771454 1320205450 /nfs/dbraw/zinc/20/54/50/1320205450.db2.gz LAZNZSCKHBMLMK-CYBMUJFWSA-N 1 1 327.457 3.279 50 0 EGAAMO COCCN(Cc1ccsc1)C(=O)[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC000952976623 1334628227 /nfs/dbraw/zinc/62/82/27/1334628227.db2.gz NPUYSGNCCCINHO-GOSISDBHSA-N 1 1 346.496 3.334 50 0 EGAAMO Cc1ccc(C(=O)Nc2ccc(NC(=O)C[NH+](C)C)cc2)c(F)c1F ZINC000952980457 1334629094 /nfs/dbraw/zinc/62/90/94/1334629094.db2.gz WWVQEKSCBZXBKI-UHFFFAOYSA-N 1 1 347.365 3.026 50 0 EGAAMO C[C@H](C(=O)Nc1cccc(C[NH+]2CCCCC2)c1)N1CCCCC1 ZINC000952988432 1334631206 /nfs/dbraw/zinc/63/12/06/1334631206.db2.gz NYXFKLQIYNXKQM-QGZVFWFLSA-N 1 1 329.488 3.485 50 0 EGAAMO COc1cc(F)ccc1C[N@H+]1CCC[C@]2(CCc3cnc(C)nc32)C1 ZINC001704306465 1416436083 /nfs/dbraw/zinc/43/60/83/1416436083.db2.gz NJTWNUWLJXJUGE-FQEVSTJZSA-N 1 1 341.430 3.413 50 0 EGAAMO CC(C)=CCC/C(C)=C/C[N@H+]1CCCN(C(=O)c2cnccn2)CC1 ZINC001772705633 1441417217 /nfs/dbraw/zinc/41/72/17/1441417217.db2.gz UVMHYFRHJKTDFQ-QGMBQPNBSA-N 1 1 342.487 3.317 50 0 EGAAMO COCCc1ncc(C[N@@H+](C)C[C@]2(c3ccccc3)CC2(C)C)cn1 ZINC000097696125 219048411 /nfs/dbraw/zinc/04/84/11/219048411.db2.gz KNSMSJCMYWIBSF-NRFANRHFSA-N 1 1 339.483 3.465 50 0 EGAAMO FC(F)(F)c1ccc(CNC[C@@H]2CCC[N@@H+]3CCCC[C@H]23)cn1 ZINC000055042302 214266500 /nfs/dbraw/zinc/26/65/00/214266500.db2.gz YASDNYAIVIAPFZ-LSDHHAIUSA-N 1 1 327.394 3.455 50 0 EGAAMO FC(F)(F)c1ccc(CNC[C@@H]2CCC[N@H+]3CCCC[C@H]23)cn1 ZINC000055042302 214266502 /nfs/dbraw/zinc/26/65/02/214266502.db2.gz YASDNYAIVIAPFZ-LSDHHAIUSA-N 1 1 327.394 3.455 50 0 EGAAMO Cc1ccc(O)c(C[N@H+](Cc2ccc(F)cc2)C[C@@H]2CCCO2)n1 ZINC000055088958 214270699 /nfs/dbraw/zinc/27/06/99/214270699.db2.gz JNNKHAOWXYXRSI-KRWDZBQOSA-N 1 1 330.403 3.416 50 0 EGAAMO CC[C@@H](CO)[N@H+](Cc1cccnc1)Cc1ccc(C(F)(F)F)nc1 ZINC000055108520 214274515 /nfs/dbraw/zinc/27/45/15/214274515.db2.gz YPFWEIRFBPWYPR-HNNXBMFYSA-N 1 1 339.361 3.269 50 0 EGAAMO CC[C@@H](CO)[N@@H+](Cc1cccnc1)Cc1ccc(C(F)(F)F)nc1 ZINC000055108520 214274516 /nfs/dbraw/zinc/27/45/16/214274516.db2.gz YPFWEIRFBPWYPR-HNNXBMFYSA-N 1 1 339.361 3.269 50 0 EGAAMO COc1cc2c(cc1C[N@H+](Cc1ccccc1)C[C@H](C)CO)OCO2 ZINC000055283513 214301372 /nfs/dbraw/zinc/30/13/72/214301372.db2.gz SJKXCPBETYKBEI-HNNXBMFYSA-N 1 1 343.423 3.055 50 0 EGAAMO COc1cc2c(cc1C[N@H+](Cc1ccccc1)C[C@@H](C)CO)OCO2 ZINC000055283515 214301902 /nfs/dbraw/zinc/30/19/02/214301902.db2.gz SJKXCPBETYKBEI-OAHLLOKOSA-N 1 1 343.423 3.055 50 0 EGAAMO c1cn(CCC[N@@H+](Cc2ccncc2)Cc2ccc3c(c2)CCO3)cn1 ZINC000055401121 214318191 /nfs/dbraw/zinc/31/81/91/214318191.db2.gz ZITUYGKQVBNNGZ-UHFFFAOYSA-N 1 1 348.450 3.306 50 0 EGAAMO Cc1nnc(C[N@@H+]2CCC[C@H](CCC(=O)Nc3ccccc3F)C2)o1 ZINC000095509614 282315207 /nfs/dbraw/zinc/31/52/07/282315207.db2.gz CDTSRAQTUROVLB-CQSZACIVSA-N 1 1 346.406 3.148 50 0 EGAAMO Cc1nnc(C[N@H+]2CCC[C@H](CCC(=O)Nc3ccccc3F)C2)o1 ZINC000095509614 282315209 /nfs/dbraw/zinc/31/52/09/282315209.db2.gz CDTSRAQTUROVLB-CQSZACIVSA-N 1 1 346.406 3.148 50 0 EGAAMO C[N@H+](CC(=O)[O-])[C@@H]1CCC[NH+]([C@H]2CCc3c2cccc3Cl)CC1 ZINC000263574762 282360250 /nfs/dbraw/zinc/36/02/50/282360250.db2.gz NXMQOLPHYWKHMD-DYVFJYSZSA-N 1 1 336.863 3.198 50 0 EGAAMO C[N@@H+](CC(=O)[O-])[C@@H]1CCC[NH+]([C@H]2CCc3c2cccc3Cl)CC1 ZINC000263574762 282360252 /nfs/dbraw/zinc/36/02/52/282360252.db2.gz NXMQOLPHYWKHMD-DYVFJYSZSA-N 1 1 336.863 3.198 50 0 EGAAMO C[NH+](CC(=O)[O-])[C@@H]1CCC[N@@H+]([C@H]2CCc3c2cccc3Cl)CC1 ZINC000263574762 282360254 /nfs/dbraw/zinc/36/02/54/282360254.db2.gz NXMQOLPHYWKHMD-DYVFJYSZSA-N 1 1 336.863 3.198 50 0 EGAAMO C[NH+](CC(=O)[O-])[C@@H]1CCC[N@H+]([C@H]2CCc3c2cccc3Cl)CC1 ZINC000263574762 282360256 /nfs/dbraw/zinc/36/02/56/282360256.db2.gz NXMQOLPHYWKHMD-DYVFJYSZSA-N 1 1 336.863 3.198 50 0 EGAAMO COc1ccc2ccccc2c1C[N@H+]1CCC[C@H](CNC(C)=O)C1 ZINC000067472735 215151275 /nfs/dbraw/zinc/15/12/75/215151275.db2.gz AMDQGUVPVATUCY-MRXNPFEDSA-N 1 1 326.440 3.197 50 0 EGAAMO COc1cccc(C[N@@H+](C)Cc2cc3ccc(F)cc3[nH]c2=O)c1 ZINC000067642149 215172706 /nfs/dbraw/zinc/17/27/06/215172706.db2.gz SYRNTWKJPYDUHO-UHFFFAOYSA-N 1 1 326.371 3.308 50 0 EGAAMO CN1CCN(CC[C@H]2CCCC[N@@H+]2Cc2cc3ccccc3o2)CC1 ZINC000067689187 215185795 /nfs/dbraw/zinc/18/57/95/215185795.db2.gz XYBSADBBVGAJNO-LJQANCHMSA-N 1 1 341.499 3.425 50 0 EGAAMO CN1CCN(CC[C@H]2CCCC[N@H+]2Cc2cc3ccccc3o2)CC1 ZINC000067689187 215185797 /nfs/dbraw/zinc/18/57/97/215185797.db2.gz XYBSADBBVGAJNO-LJQANCHMSA-N 1 1 341.499 3.425 50 0 EGAAMO Cc1cccc(C)c1C[N@H+]1CC[C@@H](c2ccc3c(c2)OCO3)[C@H](O)C1 ZINC000067770266 215207354 /nfs/dbraw/zinc/20/73/54/215207354.db2.gz ATJSVIGXUKDGEH-PKOBYXMFSA-N 1 1 339.435 3.383 50 0 EGAAMO CC(=O)NC1CC[NH+](Cc2nc(-c3sccc3C)oc2C)CC1 ZINC000067786853 215212130 /nfs/dbraw/zinc/21/21/30/215212130.db2.gz MURVHDZSFGRXJO-UHFFFAOYSA-N 1 1 333.457 3.120 50 0 EGAAMO C[N@@H+]1CCC=C(c2noc([C@@H]3CCCN3C(=O)C3CCCCC3)n2)C1 ZINC000067820010 215221565 /nfs/dbraw/zinc/22/15/65/215221565.db2.gz KQOGYTOVKJWZSI-INIZCTEOSA-N 1 1 344.459 3.032 50 0 EGAAMO C[N@H+]1CCC=C(c2noc([C@@H]3CCCN3C(=O)C3CCCCC3)n2)C1 ZINC000067820010 215221568 /nfs/dbraw/zinc/22/15/68/215221568.db2.gz KQOGYTOVKJWZSI-INIZCTEOSA-N 1 1 344.459 3.032 50 0 EGAAMO COc1ccc(-n2nc(C)nc2[C@@H]([NH3+])c2ccccc2Cl)cc1 ZINC000067856462 215232731 /nfs/dbraw/zinc/23/27/31/215232731.db2.gz MYSILZKPDHDYDS-INIZCTEOSA-N 1 1 328.803 3.286 50 0 EGAAMO C=Cc1ccc(C(=O)NC[C@@H]2CC[N@H+](Cc3cccc(O)c3)C2)cc1 ZINC000067934354 215252337 /nfs/dbraw/zinc/25/23/37/215252337.db2.gz LKTJKMNFQGOSIO-SFHVURJKSA-N 1 1 336.435 3.287 50 0 EGAAMO Cc1ccccc1C[N@H+]1CC[C@H](CNC(=O)c2ccncc2Cl)C1 ZINC000067965717 215262044 /nfs/dbraw/zinc/26/20/44/215262044.db2.gz ZKOAUJBOTZOCDW-OAHLLOKOSA-N 1 1 343.858 3.295 50 0 EGAAMO C/C=C/CC(=O)N1C[C@H](c2cc(F)cc(F)c2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000072128314 216018841 /nfs/dbraw/zinc/01/88/41/216018841.db2.gz DVOKYDGWILDSQY-GPYQLXLGSA-N 1 1 346.421 3.320 50 0 EGAAMO CCn1ccnc1CN1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000072146289 216033499 /nfs/dbraw/zinc/03/34/99/216033499.db2.gz LHFMTNGOBBJWLZ-UHFFFAOYSA-N 1 1 326.488 3.044 50 0 EGAAMO COc1cccc(-n2cc(C[N@@H+](C)Cc3cccc4nonc43)cn2)c1 ZINC000072154636 216044514 /nfs/dbraw/zinc/04/45/14/216044514.db2.gz CKGIDVOSNMXWLJ-UHFFFAOYSA-N 1 1 349.394 3.049 50 0 EGAAMO COCCc1noc([C@@H]2CCC[N@@H+](Cc3ccc(Cl)s3)C2)n1 ZINC000072171252 216062389 /nfs/dbraw/zinc/06/23/89/216062389.db2.gz ZAXQXCMDWBEWTF-LLVKDONJSA-N 1 1 341.864 3.353 50 0 EGAAMO COc1ccccc1/C=C/CN1CCC[N@@H+](Cc2cccnc2)CC1 ZINC000072173998 216065112 /nfs/dbraw/zinc/06/51/12/216065112.db2.gz QEYAZXGEWGHSGV-WEVVVXLNSA-N 1 1 337.467 3.311 50 0 EGAAMO COc1ccccc1/C=C/C[N@@H+]1CCCN(Cc2cccnc2)CC1 ZINC000072173998 216065115 /nfs/dbraw/zinc/06/51/15/216065115.db2.gz QEYAZXGEWGHSGV-WEVVVXLNSA-N 1 1 337.467 3.311 50 0 EGAAMO COc1ccccc1/C=C/C[N@H+]1CCCN(Cc2cccnc2)CC1 ZINC000072173998 216065118 /nfs/dbraw/zinc/06/51/18/216065118.db2.gz QEYAZXGEWGHSGV-WEVVVXLNSA-N 1 1 337.467 3.311 50 0 EGAAMO COc1ccc(O)cc1C[NH+]1CCC(Oc2ccccc2OC)CC1 ZINC000072173864 216065443 /nfs/dbraw/zinc/06/54/43/216065443.db2.gz QGUVFWCTLYNDDC-UHFFFAOYSA-N 1 1 343.423 3.453 50 0 EGAAMO O=C1CC[C@H]2C[N@@H+](Cc3ccncc3)CC[C@H]2N1CCc1ccccc1 ZINC000072433551 216228264 /nfs/dbraw/zinc/22/82/64/216228264.db2.gz ZWLXZPNJYOQDKX-LEWJYISDSA-N 1 1 349.478 3.137 50 0 EGAAMO Cc1ccc(-c2nn(-c3cccc(F)c3)cc2C[N@@H+](C)CCO)o1 ZINC000072453944 216241583 /nfs/dbraw/zinc/24/15/83/216241583.db2.gz CWGPUDHTQXHCNW-UHFFFAOYSA-N 1 1 329.375 3.004 50 0 EGAAMO CN(Cc1csc(-c2ccccc2)n1)C(=O)[C@@H]1CCCC[N@H+]1C ZINC000072462556 216245030 /nfs/dbraw/zinc/24/50/30/216245030.db2.gz LRPNMZWNABUQCH-INIZCTEOSA-N 1 1 329.469 3.253 50 0 EGAAMO CC[N@H+]1CCC[C@@H]1Cn1ccnc1-c1cc(OC)c(O)cc1Cl ZINC000072478830 216257630 /nfs/dbraw/zinc/25/76/30/216257630.db2.gz IONIXIGJAXZWIF-GFCCVEGCSA-N 1 1 335.835 3.402 50 0 EGAAMO CCn1ccnc1C[N@@H+]1CCC[C@H](COc2ccc(OC)cc2)C1 ZINC000072480106 216260122 /nfs/dbraw/zinc/26/01/22/216260122.db2.gz RHIGQWGBFGJCLP-INIZCTEOSA-N 1 1 329.444 3.203 50 0 EGAAMO CCn1ccnc1C[N@H+]1CCC[C@H](COc2ccc(OC)cc2)C1 ZINC000072480106 216260126 /nfs/dbraw/zinc/26/01/26/216260126.db2.gz RHIGQWGBFGJCLP-INIZCTEOSA-N 1 1 329.444 3.203 50 0 EGAAMO C[C@@H]1[C@@H]2CCC[N@H+]2CCN1Cc1ccc(F)c(Br)c1 ZINC000022078327 212276856 /nfs/dbraw/zinc/27/68/56/212276856.db2.gz NJFNVSBTPDQWGG-ABAIWWIYSA-N 1 1 327.241 3.257 50 0 EGAAMO C[N@@H+](Cc1ccccc1)C1(CNCc2ncc[nH]2)Cc2ccccc2C1 ZINC000020907821 212186552 /nfs/dbraw/zinc/18/65/52/212186552.db2.gz CFDFWGVKWAKAPO-UHFFFAOYSA-N 1 1 346.478 3.169 50 0 EGAAMO COc1coc(C[N@@H+](C)CCn2c(C)cc3ccccc32)cc1=O ZINC000244701008 243060436 /nfs/dbraw/zinc/06/04/36/243060436.db2.gz JYGPHEUOMZMHEX-UHFFFAOYSA-N 1 1 326.396 3.044 50 0 EGAAMO Cc1ccc(NC(=O)CCN2CC([N@@H+]3CCCC[C@@H]3C)C2)cc1F ZINC000243932070 243032789 /nfs/dbraw/zinc/03/27/89/243032789.db2.gz BSCVUOSCDWMMRQ-HNNXBMFYSA-N 1 1 333.451 3.021 50 0 EGAAMO O=C(CC[N@H+]1CCC[C@H](C(=O)c2cccs2)C1)Nc1nccs1 ZINC000243932514 243037053 /nfs/dbraw/zinc/03/70/53/243037053.db2.gz BWRPNHOFUOGWKI-LBPRGKRZSA-N 1 1 349.481 3.128 50 0 EGAAMO CC(C)c1cc(Br)ccc1OCC[NH+]1CCN(C)CC1 ZINC000020652692 212159723 /nfs/dbraw/zinc/15/97/23/212159723.db2.gz PWOLHJKSYDAIJO-UHFFFAOYSA-N 1 1 341.293 3.199 50 0 EGAAMO CC(C)(C)C[N@H+]1CCN(Cc2ccc(F)cc2Cl)C[C@@H]1CCO ZINC000020599606 212151338 /nfs/dbraw/zinc/15/13/38/212151338.db2.gz DJSCSJSKOOEPLI-INIZCTEOSA-N 1 1 342.886 3.394 50 0 EGAAMO CCn1ccnc1CN(C)[C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000020514854 212142689 /nfs/dbraw/zinc/14/26/89/212142689.db2.gz JHVVAEVOXQPRND-LJQANCHMSA-N 1 1 326.488 3.042 50 0 EGAAMO OCC[C@@H]1CN(Cc2cccc3ncccc23)CC[N@H+]1C1CCCC1 ZINC000020452694 212131318 /nfs/dbraw/zinc/13/13/18/212131318.db2.gz UMTPARRIQBJHLI-LJQANCHMSA-N 1 1 339.483 3.046 50 0 EGAAMO C[C@@H]1CCC[N@@H+](CCC(=O)N(C)C[C@@H]2CCN(c3ccccc3)C2)C1 ZINC000020255661 212114519 /nfs/dbraw/zinc/11/45/19/212114519.db2.gz ILZRYQYMGSQCGN-MOPGFXCFSA-N 1 1 343.515 3.093 50 0 EGAAMO Cc1cc(Br)ccc1OCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000020168553 212108463 /nfs/dbraw/zinc/10/84/63/212108463.db2.gz YFMRKJXMKKLHBB-STQMWFEESA-N 1 1 328.250 3.246 50 0 EGAAMO O=C(Cc1ccc(Cl)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019863495 212077252 /nfs/dbraw/zinc/07/72/52/212077252.db2.gz ODUVCQIQWWWMOK-UHFFFAOYSA-N 1 1 328.843 3.227 50 0 EGAAMO COCCCN1C[C@]2(CCC[N@@H+](Cc3ccccc3C)C2)CCC1=O ZINC000077536983 216932069 /nfs/dbraw/zinc/93/20/69/216932069.db2.gz KTJXLJHVNJZXEA-OAQYLSRUSA-N 1 1 344.499 3.236 50 0 EGAAMO COc1cccc(CN2CC[NH+](Cc3cccc(OC)c3)CC2)c1 ZINC000019565352 212043403 /nfs/dbraw/zinc/04/34/03/212043403.db2.gz SOPLIJVWVOWSDL-UHFFFAOYSA-N 1 1 326.440 3.022 50 0 EGAAMO Cc1ccc(NC(=O)CN2CC[NH+](Cc3ccccc3)CC2)c(C)c1 ZINC000019358039 212021420 /nfs/dbraw/zinc/02/14/20/212021420.db2.gz LCKSQYWWOAOJRU-UHFFFAOYSA-N 1 1 337.467 3.060 50 0 EGAAMO COc1ccc(C[N@@H+]2CCC(=O)N(Cc3ccccc3C)CC2)cc1 ZINC000014887768 211769713 /nfs/dbraw/zinc/76/97/13/211769713.db2.gz MFMPVQLVKPQHAR-UHFFFAOYSA-N 1 1 338.451 3.238 50 0 EGAAMO O=C1N(Cc2cccc(F)c2F)CCC[C@@]12CC[N@H+](C1CCC1)C2 ZINC000012314528 211344819 /nfs/dbraw/zinc/34/48/19/211344819.db2.gz WRCPQOVOHCMJNY-IBGZPJMESA-N 1 1 334.410 3.332 50 0 EGAAMO CCOc1cccc(C[N@H+]2CCC[C@H](CCC(=O)NC3CC3)C2)c1 ZINC000012209207 211322099 /nfs/dbraw/zinc/32/20/99/211322099.db2.gz IFBHUGVFEWBZFX-MRXNPFEDSA-N 1 1 330.472 3.356 50 0 EGAAMO Cn1c2ccccc2nc1C[N@H+]1CCC[C@](CO)(Cc2ccccc2)C1 ZINC000011935995 211272458 /nfs/dbraw/zinc/27/24/58/211272458.db2.gz XIYBJGQEOOTTKR-QFIPXVFZSA-N 1 1 349.478 3.391 50 0 EGAAMO Fc1ccc(CN2C[C@H]3CC[C@@H]2C[N@@H+](Cc2ccncc2)C3)c(F)c1 ZINC000091474003 218010923 /nfs/dbraw/zinc/01/09/23/218010923.db2.gz DCBPOEOKRWZUOC-QFBILLFUSA-N 1 1 343.421 3.456 50 0 EGAAMO C[NH+](C)[C@@H](C(=O)NCc1ccc2[nH]ccc2c1)c1ccc(F)cc1 ZINC000091551817 218021433 /nfs/dbraw/zinc/02/14/33/218021433.db2.gz VMOHWYKSPBTIRT-GOSISDBHSA-N 1 1 325.387 3.226 50 0 EGAAMO Nc1cc(N[C@@H]2CCCc3c2cnn3-c2ccc(F)cc2F)nc[nH+]1 ZINC000091586851 218026242 /nfs/dbraw/zinc/02/62/42/218026242.db2.gz QRUALLGEJMJKIM-CYBMUJFWSA-N 1 1 342.353 3.012 50 0 EGAAMO Cn1c2ccccc2nc1C[NH+]1CCC(CO)(Cc2ccccc2)CC1 ZINC000011663997 211231647 /nfs/dbraw/zinc/23/16/47/211231647.db2.gz VICKNCUBISLDBT-UHFFFAOYSA-N 1 1 349.478 3.391 50 0 EGAAMO C[N@H+]1C[C@H]2CC[C@@H]1CN(C(=O)C(c1ccccc1)c1ccccc1)C2 ZINC000091756740 218060441 /nfs/dbraw/zinc/06/04/41/218060441.db2.gz BBLLKSZZCKOUFL-YLJYHZDGSA-N 1 1 334.463 3.371 50 0 EGAAMO Cc1ncsc1C[N@H+]1C[C@H]2CC[C@@H]1CN(Cc1c(C)noc1C)C2 ZINC000091915325 218087954 /nfs/dbraw/zinc/08/79/54/218087954.db2.gz PZXCZQZRPANZPY-JKSUJKDBSA-N 1 1 346.500 3.153 50 0 EGAAMO Cc1ncsc1CN1C[C@H]2CC[C@@H]1C[N@H+](Cc1c(C)noc1C)C2 ZINC000091915325 218087955 /nfs/dbraw/zinc/08/79/55/218087955.db2.gz PZXCZQZRPANZPY-JKSUJKDBSA-N 1 1 346.500 3.153 50 0 EGAAMO Cc1ncsc1CN1C[C@H]2CC[C@@H]1C[N@@H+](Cc1c(C)noc1C)C2 ZINC000091915325 218087957 /nfs/dbraw/zinc/08/79/57/218087957.db2.gz PZXCZQZRPANZPY-JKSUJKDBSA-N 1 1 346.500 3.153 50 0 EGAAMO OC[C@H]1CN(Cc2cc3ccccc3s2)C[C@H]1C[NH+]1CCCC1 ZINC000091985586 218098245 /nfs/dbraw/zinc/09/82/45/218098245.db2.gz QJQFWWAJCUDJFH-IAGOWNOFSA-N 1 1 330.497 3.037 50 0 EGAAMO CCC[C@@H](C)C[N@H+]1CCCn2nc(CCC(=O)N3CCCC3)cc2C1 ZINC000092062229 218111503 /nfs/dbraw/zinc/11/15/03/218111503.db2.gz URBOALDYNWPCNU-QGZVFWFLSA-N 1 1 346.519 3.080 50 0 EGAAMO Cc1nccn1CCC[N@H+]1CCC[C@@H](c2nccn2CC2CCC2)C1 ZINC000095367745 218300210 /nfs/dbraw/zinc/30/02/10/218300210.db2.gz BCEUICNOLSIMBB-LJQANCHMSA-N 1 1 341.503 3.458 50 0 EGAAMO Fc1cnccc1N1CCC[C@H](c2[nH+]ccn2Cc2cscn2)C1 ZINC000095376887 218309691 /nfs/dbraw/zinc/30/96/91/218309691.db2.gz VAHQCWHJRZEEIP-ZDUSSCGKSA-N 1 1 343.431 3.306 50 0 EGAAMO Cc1nc(-c2ccccc2)[nH]c1C(=O)N1CC([N@@H+]2CCCC[C@@H]2C)C1 ZINC000097301239 219010527 /nfs/dbraw/zinc/01/05/27/219010527.db2.gz QJVMXWJJXAIABE-AWEZNQCLSA-N 1 1 338.455 3.084 50 0 EGAAMO COc1ccc(-n2ccnc2C[N@@H+]2CCC[C@H](c3ccncn3)C2)cc1 ZINC000097425070 219024105 /nfs/dbraw/zinc/02/41/05/219024105.db2.gz XVCQBNUGLIQASE-INIZCTEOSA-N 1 1 349.438 3.051 50 0 EGAAMO COc1ccc(-n2ccnc2C[N@H+]2CCC[C@H](c3ccncn3)C2)cc1 ZINC000097425070 219024110 /nfs/dbraw/zinc/02/41/10/219024110.db2.gz XVCQBNUGLIQASE-INIZCTEOSA-N 1 1 349.438 3.051 50 0 EGAAMO COC[C@@H](C)N(Cc1ccc(F)cc1)C(=O)c1ccc(C[NH+](C)C)o1 ZINC000097370355 219015985 /nfs/dbraw/zinc/01/59/85/219015985.db2.gz BMKBSCFAFIWQSB-CQSZACIVSA-N 1 1 348.418 3.158 50 0 EGAAMO COc1cc(C)c(C[N@H+]2CC[C@]3(OC)CC[C@H](O)C[C@H]23)c(C)c1C ZINC000299776554 258086804 /nfs/dbraw/zinc/08/68/04/258086804.db2.gz CTZHEEWLCRWIHR-FFZOFVMBSA-N 1 1 333.472 3.125 50 0 EGAAMO CCN(CC[NH+]1CCCCCC1)C(=O)Cc1ccc2nc(C)[nH]c2c1 ZINC000299796980 258100917 /nfs/dbraw/zinc/10/09/17/258100917.db2.gz ROKZVDLCVXGJRE-UHFFFAOYSA-N 1 1 342.487 3.138 50 0 EGAAMO Cn1cc(-c2nc([C@H]3C[C@@H](c4ccccc4)[N@H+]4CCC[C@H]34)no2)cn1 ZINC000299759402 258076972 /nfs/dbraw/zinc/07/69/72/258076972.db2.gz RMVJRGWPUNQGKX-BBWFWOEESA-N 1 1 335.411 3.163 50 0 EGAAMO COc1ccccc1N1CC[NH+](Cc2cccc(OC)c2OC)CC1 ZINC000055543254 132195760 /nfs/dbraw/zinc/19/57/60/132195760.db2.gz DMWDZPMAUFSSIX-UHFFFAOYSA-N 1 1 342.439 3.035 50 0 EGAAMO Cc1cc(C(F)(F)F)cc(N2CCC[C@]3(CN(C)C(=O)O3)CC2)[nH+]1 ZINC000072168812 280376505 /nfs/dbraw/zinc/37/65/05/280376505.db2.gz RLCMNKSFJXWVFZ-OAHLLOKOSA-N 1 1 343.349 3.220 50 0 EGAAMO Cc1nc([C@H]2CCCN(Cc3nc4ccc(C)c(C)c4[nH]3)C2)no1 ZINC000244795300 455276548 /nfs/dbraw/zinc/27/65/48/455276548.db2.gz RDOTVCJQFPEDGO-AWEZNQCLSA-N 1 1 325.416 3.251 50 0 EGAAMO COc1ccc(OC)c([C@H]2c3cc(OC)c(OC)cc3CC[N@H+]2C)c1 ZINC000000197210 452533705 /nfs/dbraw/zinc/53/37/05/452533705.db2.gz XTAHYLNLGLZKHR-HXUWFJFHSA-N 1 1 343.423 3.298 50 0 EGAAMO COc1ccc(OC)c([C@H]2c3cc(OC)c(OC)cc3CC[N@@H+]2C)c1 ZINC000000197210 452533714 /nfs/dbraw/zinc/53/37/14/452533714.db2.gz XTAHYLNLGLZKHR-HXUWFJFHSA-N 1 1 343.423 3.298 50 0 EGAAMO COc1ccc(C[NH+]2CCN(c3cccc(C)c3C)CC2)cc1O ZINC000000248155 452545384 /nfs/dbraw/zinc/54/53/84/452545384.db2.gz XUNYNYXFGZURTF-UHFFFAOYSA-N 1 1 326.440 3.340 50 0 EGAAMO O=C(CC[N@H+](CCO)Cc1ccccc1)Nc1cccc(Cl)c1 ZINC000002760726 452720466 /nfs/dbraw/zinc/72/04/66/452720466.db2.gz BNMZSFIAOLSMFW-UHFFFAOYSA-N 1 1 332.831 3.163 50 0 EGAAMO Clc1ccc2c(c1)C1=C(CO2)[C@@H](c2ccccc2)N2NC=NC2=[NH+]1 ZINC000005556970 452884210 /nfs/dbraw/zinc/88/42/10/452884210.db2.gz IYKKEARTKVPYNC-QGZVFWFLSA-N 1 1 336.782 3.403 50 0 EGAAMO Cc1ccc2c(=O)c(C[N@H+](C)C3CCN(C)CC3)c(C)[nH]c2c1C ZINC000008582445 453217363 /nfs/dbraw/zinc/21/73/63/453217363.db2.gz SSWJAIPAVAXMPM-UHFFFAOYSA-N 1 1 327.472 3.392 50 0 EGAAMO Cc1ccc2c(=O)c(CN(C)C3CC[NH+](C)CC3)c(C)[nH]c2c1C ZINC000008582445 453217369 /nfs/dbraw/zinc/21/73/69/453217369.db2.gz SSWJAIPAVAXMPM-UHFFFAOYSA-N 1 1 327.472 3.392 50 0 EGAAMO CCC[NH+]1CCN(C(=O)[C@@H](C)Oc2cc(Cl)ccc2Cl)CC1 ZINC000013327428 453458925 /nfs/dbraw/zinc/45/89/25/453458925.db2.gz YMCIYOZXHINGDL-GFCCVEGCSA-N 1 1 345.270 3.315 50 0 EGAAMO COc1ccc(NC(=O)NC[C@@H]2CC[N@H+](C3CCCC3)C2)c(OC)c1 ZINC000016624189 453616392 /nfs/dbraw/zinc/61/63/92/453616392.db2.gz BLUGGARQGRPYQI-AWEZNQCLSA-N 1 1 347.459 3.090 50 0 EGAAMO CCC[C@@H]1C[N@H+](Cc2cccc(Cn3cccn3)c2)C[C@H]1N(C)C ZINC000082120476 453925639 /nfs/dbraw/zinc/92/56/39/453925639.db2.gz CLIUOPORUYTWPH-WOJBJXKFSA-N 1 1 326.488 3.094 50 0 EGAAMO CCC[C@@H]1C[N@@H+](Cc2cccc(Cn3cccn3)c2)C[C@H]1N(C)C ZINC000082120476 453925642 /nfs/dbraw/zinc/92/56/42/453925642.db2.gz CLIUOPORUYTWPH-WOJBJXKFSA-N 1 1 326.488 3.094 50 0 EGAAMO C[C@H](Cc1ccc2c(c1)OCO2)c1[nH+]ccn1CCCn1ccnc1 ZINC000067724018 453960902 /nfs/dbraw/zinc/96/09/02/453960902.db2.gz VTDHRYLCGACJQM-OAHLLOKOSA-N 1 1 338.411 3.245 50 0 EGAAMO Cc1ccc(-c2cc(C(=O)NC[C@H](c3ccco3)[NH+](C)C)[nH]n2)cc1 ZINC000055172714 453967516 /nfs/dbraw/zinc/96/75/16/453967516.db2.gz AAZFGEJHWRNFNY-QGZVFWFLSA-N 1 1 338.411 3.011 50 0 EGAAMO CCOC(=O)CCCC(=O)c1ccccc1C[NH+]1CCSCC1 ZINC000085651714 454036050 /nfs/dbraw/zinc/03/60/50/454036050.db2.gz JRSWBDZTMVZXSW-UHFFFAOYSA-N 1 1 335.469 3.152 50 0 EGAAMO Cc1ccc2nc(N3CCC([N@H+]4CCC[C@H](O)C4)CC3)sc2c1 ZINC000077286900 454086180 /nfs/dbraw/zinc/08/61/80/454086180.db2.gz ZBWYQGVZNNJFKL-HNNXBMFYSA-N 1 1 331.485 3.030 50 0 EGAAMO Cn1c(C[N@H+]2CCCC[C@@H]2CCN2CCOCC2)cc2ccccc21 ZINC000077407816 454102674 /nfs/dbraw/zinc/10/26/74/454102674.db2.gz KCWMCZHZOKYPOG-LJQANCHMSA-N 1 1 341.499 3.255 50 0 EGAAMO COc1c(C)cnc(C[N@H+]2CCCC[C@H]2CCn2ccnc2)c1C ZINC000077440349 454106404 /nfs/dbraw/zinc/10/64/04/454106404.db2.gz UKLMPUCBRCLRPL-KRWDZBQOSA-N 1 1 328.460 3.348 50 0 EGAAMO Cc1[nH+]ccn1C[C@H]1CCCN(C(=O)Cc2ccc(O)c(Cl)c2)C1 ZINC000077519331 454117347 /nfs/dbraw/zinc/11/73/47/454117347.db2.gz WTYLQJKRVMSIPM-OAHLLOKOSA-N 1 1 347.846 3.032 50 0 EGAAMO CN(C[C@@H]1Cc2ccccc2C[N@H+]1C)C(=O)c1ccc2ccccc2n1 ZINC000077536973 454119257 /nfs/dbraw/zinc/11/92/57/454119257.db2.gz JRAROLNRXVFMKA-IBGZPJMESA-N 1 1 345.446 3.364 50 0 EGAAMO O=C(C1CCC1)N1C[C@@H](c2cccc(F)c2F)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000071749358 454213034 /nfs/dbraw/zinc/21/30/34/454213034.db2.gz NSAUILWOCXTKSI-KFKAGJAMSA-N 1 1 346.421 3.154 50 0 EGAAMO C[C@]1(Cc2ccc3c(c2)OCO3)CCC[N@@H+](Cc2cccnc2N)C1 ZINC000095500296 454222699 /nfs/dbraw/zinc/22/26/99/454222699.db2.gz OHMCUNHPVABKFU-HXUWFJFHSA-N 1 1 339.439 3.237 50 0 EGAAMO Cc1cc[nH+]c(N2CCC(c3nccn3Cc3ccncc3)CC2)c1 ZINC000095509829 454225272 /nfs/dbraw/zinc/22/52/72/454225272.db2.gz IYGJSZGTXRGYTL-UHFFFAOYSA-N 1 1 333.439 3.414 50 0 EGAAMO c1nnnn1CCC[N@H+]1CCCC(c2ccccc2)(c2ccccc2)C1 ZINC000095518559 454226011 /nfs/dbraw/zinc/22/60/11/454226011.db2.gz VSGSWRBGDABVSN-UHFFFAOYSA-N 1 1 347.466 3.145 50 0 EGAAMO CSCCc1nc(CCn2cc[nH+]c2C)n(-c2ccc(C)cc2)n1 ZINC000096148643 454293469 /nfs/dbraw/zinc/29/34/69/454293469.db2.gz IRDIKFDLYOHEBF-UHFFFAOYSA-N 1 1 341.484 3.229 50 0 EGAAMO O=C1N(CC2CC2)CCC[C@@]12CC[N@H+](Cc1cc(F)ccc1F)C2 ZINC000091289255 454423355 /nfs/dbraw/zinc/42/33/55/454423355.db2.gz UJLCETPVZKYFHE-IBGZPJMESA-N 1 1 334.410 3.189 50 0 EGAAMO Cn1cc(C[N@H+](Cc2cc(=O)c3cccc(Cl)c3[nH]2)C2CC2)cn1 ZINC000091305341 454424540 /nfs/dbraw/zinc/42/45/40/454424540.db2.gz FCPUFEQGTQLJTM-UHFFFAOYSA-N 1 1 342.830 3.492 50 0 EGAAMO Cn1cc(C[N@@H+](Cc2cc(=O)c3cccc(Cl)c3[nH]2)C2CC2)cn1 ZINC000091305341 454424544 /nfs/dbraw/zinc/42/45/44/454424544.db2.gz FCPUFEQGTQLJTM-UHFFFAOYSA-N 1 1 342.830 3.492 50 0 EGAAMO C[NH+](C)C[C@@H]1CN(Cc2ccc(-c3ccccc3)s2)C[C@@H]1CO ZINC000091365047 454430342 /nfs/dbraw/zinc/43/03/42/454430342.db2.gz FTLDKCHIXZKQDD-IAGOWNOFSA-N 1 1 330.497 3.017 50 0 EGAAMO CN(C)C[C@@H]1C[N@H+](Cc2ccc(-c3ccccc3)s2)C[C@@H]1CO ZINC000091365047 454430347 /nfs/dbraw/zinc/43/03/47/454430347.db2.gz FTLDKCHIXZKQDD-IAGOWNOFSA-N 1 1 330.497 3.017 50 0 EGAAMO CN(C)C[C@@H]1C[N@@H+](Cc2ccc(-c3ccccc3)s2)C[C@@H]1CO ZINC000091365047 454430351 /nfs/dbraw/zinc/43/03/51/454430351.db2.gz FTLDKCHIXZKQDD-IAGOWNOFSA-N 1 1 330.497 3.017 50 0 EGAAMO Cc1nn(C)c(C)c1C[N@H+](Cc1cccn1-c1ncccn1)C(C)C ZINC000063844314 454454098 /nfs/dbraw/zinc/45/40/98/454454098.db2.gz FDZORFNJERNCMO-UHFFFAOYSA-N 1 1 338.459 3.028 50 0 EGAAMO c1cc2c(cc1C[NH2+]C[C@@H]1CCCN3CCCC[C@H]13)OCCCO2 ZINC000063847430 454454584 /nfs/dbraw/zinc/45/45/84/454454584.db2.gz ZSTIFRNYYACEMV-ZWKOTPCHSA-N 1 1 330.472 3.202 50 0 EGAAMO c1cc2c(cc1CNC[C@@H]1CCC[N@@H+]3CCCC[C@H]13)OCCCO2 ZINC000063847430 454454587 /nfs/dbraw/zinc/45/45/87/454454587.db2.gz ZSTIFRNYYACEMV-ZWKOTPCHSA-N 1 1 330.472 3.202 50 0 EGAAMO c1cc2c(cc1CNC[C@@H]1CCC[N@H+]3CCCC[C@H]13)OCCCO2 ZINC000063847430 454454591 /nfs/dbraw/zinc/45/45/91/454454591.db2.gz ZSTIFRNYYACEMV-ZWKOTPCHSA-N 1 1 330.472 3.202 50 0 EGAAMO CC(=O)N1CCCC[C@@H]1C1=CCC[N@H+](Cc2ccc(Cl)nc2)C1 ZINC000065404691 454560681 /nfs/dbraw/zinc/56/06/81/454560681.db2.gz GHVNIKLVWRLQHV-QGZVFWFLSA-N 1 1 333.863 3.268 50 0 EGAAMO CC(=O)N1CCCC[C@@H]1C1=CCC[N@@H+](Cc2ccc(Cl)nc2)C1 ZINC000065404691 454560686 /nfs/dbraw/zinc/56/06/86/454560686.db2.gz GHVNIKLVWRLQHV-QGZVFWFLSA-N 1 1 333.863 3.268 50 0 EGAAMO C[N@H+]1CCN(Cc2cncn2Cc2ccccc2)C[C@@H]1c1ccccc1 ZINC000252484316 455809964 /nfs/dbraw/zinc/80/99/64/455809964.db2.gz FUGTXBNIRYEQTO-JOCHJYFZSA-N 1 1 346.478 3.420 50 0 EGAAMO CC(C)[C@H](C(=O)N(C)C[C@@H]1CCC[N@H+]2CCCC[C@H]12)n1cccc1 ZINC000253399483 455840560 /nfs/dbraw/zinc/84/05/60/455840560.db2.gz CZFHEMNXUNJUHL-IPMKNSEASA-N 1 1 331.504 3.408 50 0 biogenic EGAAMO O[C@H](c1cc2n(n1)CC[N@@H+](CCCc1ccccc1)C2)c1ccccc1 ZINC000220369970 456040405 /nfs/dbraw/zinc/04/04/05/456040405.db2.gz NGMALEVBGWIBIN-QFIPXVFZSA-N 1 1 347.462 3.413 50 0 EGAAMO C[C@H]1CCCC[N@H+]1C1CN(C(=O)NCc2ccnc3ccccc23)C1 ZINC000426390026 457819247 /nfs/dbraw/zinc/81/92/47/457819247.db2.gz ZEXDWWFUBPEGGI-HNNXBMFYSA-N 1 1 338.455 3.003 50 0 EGAAMO CC[NH+]1CCN(C(=O)c2ccc(-c3ccc4c(c3)CCC4=O)cc2)CC1 ZINC000426535330 457850408 /nfs/dbraw/zinc/85/04/08/457850408.db2.gz ZFBNOUWFBGPKLJ-UHFFFAOYSA-N 1 1 348.446 3.260 50 0 EGAAMO O=C(c1csc(-c2ccccc2)n1)N1CC([NH+]2CCCCC2)C1 ZINC000426544853 457852676 /nfs/dbraw/zinc/85/26/76/457852676.db2.gz AJQPJCDKXMIMDE-UHFFFAOYSA-N 1 1 327.453 3.120 50 0 EGAAMO Cc1[nH+]ccn1[C@@H](C)C(=O)NCc1csc(Cc2ccccc2)n1 ZINC000426635352 457867659 /nfs/dbraw/zinc/86/76/59/457867659.db2.gz KIZXSVAKEUYGPA-ZDUSSCGKSA-N 1 1 340.452 3.116 50 0 EGAAMO Cc1[nH]c(C)c(-c2ccc(C(=O)N(C)CCc3ccccn3)cc2)[nH+]1 ZINC000584897387 459820589 /nfs/dbraw/zinc/82/05/89/459820589.db2.gz KMJJBVGYLYVWLN-UHFFFAOYSA-N 1 1 334.423 3.403 50 0 EGAAMO C[N@H+](CCC(=O)Nc1ccc(F)cc1F)CC[C@H](O)c1ccccc1 ZINC000244574805 536307222 /nfs/dbraw/zinc/30/72/22/536307222.db2.gz CRUOUNAHYHWVOR-SFHVURJKSA-N 1 1 348.393 3.349 50 0 EGAAMO CC(C)(C)OC(=O)N1CCC(=O)[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000169804396 564017216 /nfs/dbraw/zinc/01/72/16/564017216.db2.gz XNXVCGUUXFLGCB-FQEVSTJZSA-N 1 1 344.455 3.089 50 0 EGAAMO COc1cccc(C(=O)[C@@H]2CCC[N@@H+](Cc3cccc(O)c3)C2)c1 ZINC000015072000 1291146056 /nfs/dbraw/zinc/14/60/56/1291146056.db2.gz LCPXLWGZOAAAET-QGZVFWFLSA-N 1 1 325.408 3.496 50 0 EGAAMO CCN(CC)C(=O)[C@@H]1CCC[N@@H+](Cc2cc(C)c(OC)cc2C)C1 ZINC000016310228 1291171817 /nfs/dbraw/zinc/17/18/17/1291171817.db2.gz PLAHEXWVLRMHFU-QGZVFWFLSA-N 1 1 332.488 3.392 50 0 EGAAMO CC(=O)Nc1ccc2nc(C[NH+]3CCC(c4ccn[nH]4)CC3)ccc2c1 ZINC000820592956 1319918134 /nfs/dbraw/zinc/91/81/34/1319918134.db2.gz IETQJGXJIJNQTM-UHFFFAOYSA-N 1 1 349.438 3.296 50 0 EGAAMO Cc1ccc(NC(=O)C2CCCC2)c(NC(=O)[C@]2(C)CC[N@H+](C)C2)c1 ZINC000823755006 1320203884 /nfs/dbraw/zinc/20/38/84/1320203884.db2.gz PRWACCZSSVNPBO-HXUWFJFHSA-N 1 1 343.471 3.404 50 0 EGAAMO CC(=O)c1cc(C[N@H+](C)CCc2nc3cc(Cl)ccc3[nH]2)n(C)c1 ZINC000952868927 1334584200 /nfs/dbraw/zinc/58/42/00/1334584200.db2.gz IZFMTFFGHXGCQW-UHFFFAOYSA-N 1 1 344.846 3.432 50 0 EGAAMO CC(=O)c1cc(C[N@@H+](C)CCc2nc3cc(Cl)ccc3[nH]2)n(C)c1 ZINC000952868927 1334584205 /nfs/dbraw/zinc/58/42/05/1334584205.db2.gz IZFMTFFGHXGCQW-UHFFFAOYSA-N 1 1 344.846 3.432 50 0 EGAAMO CC[C@H](Cc1ccco1)[NH2+]CC1(N2CCN(C)CC2)CCCCC1 ZINC000952965919 1334626570 /nfs/dbraw/zinc/62/65/70/1334626570.db2.gz BDFSNJUCTHSUQT-GOSISDBHSA-N 1 1 333.520 3.141 50 0 EGAAMO CC(=O)c1cc(C[N@@H+](C)C[C@H]2CCN(c3ccccc3)C2)n(C)c1 ZINC000952980239 1334628955 /nfs/dbraw/zinc/62/89/55/1334628955.db2.gz YTJYUUOVELDJRE-QGZVFWFLSA-N 1 1 325.456 3.186 50 0 EGAAMO O=C(C[NH+]1CCCCC1)Nc1ccc(NC(=O)C2CC=CC2)cc1 ZINC000952990979 1334631992 /nfs/dbraw/zinc/63/19/92/1334631992.db2.gz KSYFCQGKQMPNLE-UHFFFAOYSA-N 1 1 327.428 3.016 50 0 EGAAMO COc1cc(F)ccc1C[N@H+]1CCC[C@@]2(CCc3cnc(C)nc32)C1 ZINC001704306475 1416436230 /nfs/dbraw/zinc/43/62/30/1416436230.db2.gz NJTWNUWLJXJUGE-HXUWFJFHSA-N 1 1 341.430 3.413 50 0 EGAAMO CSc1ccc2nc(N3C[C@@H]4COC[C@H](C3)[N@@H+](C)C4)cc(C)c2c1 ZINC001704307437 1416436640 /nfs/dbraw/zinc/43/66/40/1416436640.db2.gz ZGBCWDOHCKZBMG-CABCVRRESA-N 1 1 343.496 3.032 50 0 EGAAMO Cc1c2ccccc2oc1C[N@H+](C)[C@@H]1C[C@@H]2CC(=O)N(C)C[C@@H]2C1 ZINC001704343348 1416449847 /nfs/dbraw/zinc/44/98/47/1416449847.db2.gz BLCOYIMLBVZYCF-OWCLPIDISA-N 1 1 326.440 3.430 50 0 EGAAMO Cc1ccccc1[C@]1(O)CC[N@@H+](Cc2cc(-c3cccnc3)no2)C1 ZINC001704347806 1416451737 /nfs/dbraw/zinc/45/17/37/1416451737.db2.gz GYTMWJRCPWMGPQ-FQEVSTJZSA-N 1 1 335.407 3.139 50 0 EGAAMO OC[C@@]12C[N@@H+](Cc3cccc(Oc4ccccc4)c3)C[C@@H]1COCC2 ZINC001772710621 1441417221 /nfs/dbraw/zinc/41/72/21/1441417221.db2.gz NPVOXMRKTUPYGX-WIYYLYMNSA-N 1 1 339.435 3.310 50 0 EGAAMO Cc1cc(N2CCC3(CC2)C[N@@H+](C)CCO3)c2cc(F)cc(F)c2n1 ZINC001772804393 1441417487 /nfs/dbraw/zinc/41/74/87/1441417487.db2.gz ODQALXSIIDLHOB-UHFFFAOYSA-N 1 1 347.409 3.122 50 0 EGAAMO Cc1cccc(CCN2C[C@@H]3C[NH2+]C[C@@]3(CCc3ccccc3)C2)n1 ZINC001772809998 1441417623 /nfs/dbraw/zinc/41/76/23/1441417623.db2.gz BTVDPPGQXRQPNI-UNMCSNQZSA-N 1 1 335.495 3.087 50 0 EGAAMO CCCC(=O)Nc1cccc(C(=O)NC[C@H]2CCC[N@H+](CCC)C2)c1 ZINC000055088592 214270283 /nfs/dbraw/zinc/27/02/83/214270283.db2.gz KYAHTPJVJAAZKR-MRXNPFEDSA-N 1 1 345.487 3.277 50 0 EGAAMO COc1ccccc1Oc1ncccc1C[NH2+]Cc1cnc(C)nc1 ZINC000055227166 214292850 /nfs/dbraw/zinc/29/28/50/214292850.db2.gz VXEAYPPMHOTXLO-UHFFFAOYSA-N 1 1 336.395 3.271 50 0 EGAAMO CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](OC(=O)c1ccc(OC)c(OC)c1)C2 ZINC000100748911 219105892 /nfs/dbraw/zinc/10/58/92/219105892.db2.gz IPNSZFJWQTVXFT-ZSHCYNCHSA-N 1 1 333.428 3.266 50 0 biogenic EGAAMO CCC(=O)N(Cc1ccc(OC)c(OC)c1)[C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000004188098 210141796 /nfs/dbraw/zinc/14/17/96/210141796.db2.gz PLOYJZJBKMLKKY-ZMSDIMECSA-N 1 1 348.487 3.171 50 0 EGAAMO Cc1cccc(NC(=O)C[NH2+]CC(=O)Nc2cccc(C)c2C)c1C ZINC000003887678 210085363 /nfs/dbraw/zinc/08/53/63/210085363.db2.gz LKFOZSZNDPOZLN-UHFFFAOYSA-N 1 1 339.439 3.087 50 0 EGAAMO CCc1ccccc1C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccncc2)C1 ZINC000067754397 215203385 /nfs/dbraw/zinc/20/33/85/215203385.db2.gz IOPPPANRWJGEOB-SFHVURJKSA-N 1 1 337.467 3.286 50 0 EGAAMO COc1cc(C)c(-c2nc(C[N@@H+]3CCC[C@H](O)C3)c(C)o2)cc1C ZINC000067784961 215211005 /nfs/dbraw/zinc/21/10/05/215211005.db2.gz OGHXZWZEZQJWHI-HNNXBMFYSA-N 1 1 330.428 3.232 50 0 EGAAMO COc1cc(C)c(-c2nc(C[N@H+]3CCC[C@H](O)C3)c(C)o2)cc1C ZINC000067784961 215211010 /nfs/dbraw/zinc/21/10/10/215211010.db2.gz OGHXZWZEZQJWHI-HNNXBMFYSA-N 1 1 330.428 3.232 50 0 EGAAMO Cn1nc([C@@H]2CCC[N@H+](C3CCCCC3)C2)n(-c2ccccc2)c1=O ZINC000067842138 215226951 /nfs/dbraw/zinc/22/69/51/215226951.db2.gz ZKILKYKQBPXANR-MRXNPFEDSA-N 1 1 340.471 3.083 50 0 EGAAMO C[C@@H](c1ccco1)[N@@H+](C)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000067975064 215265265 /nfs/dbraw/zinc/26/52/65/215265265.db2.gz YMMNZRGIJGUJMH-NSHDSACASA-N 1 1 326.352 3.043 50 0 EGAAMO COc1ccc(CN2CC[N@H+](C3CCCCC3)C[C@H]2CCO)cc1C ZINC000104304541 219372647 /nfs/dbraw/zinc/37/26/47/219372647.db2.gz HNBSYVYNCGQAJO-HXUWFJFHSA-N 1 1 346.515 3.205 50 0 EGAAMO C/C(=C\c1ccco1)CN1CC[N@H+](Cc2ccsc2)[C@H](CCO)C1 ZINC000039518291 213239425 /nfs/dbraw/zinc/23/94/25/213239425.db2.gz BWSPOAUWDLQYRY-QIPHDZALSA-N 1 1 346.496 3.313 50 0 EGAAMO C/C(=C\c1ccco1)CN1CC[N@@H+](Cc2ccsc2)[C@H](CCO)C1 ZINC000039518291 213239428 /nfs/dbraw/zinc/23/94/28/213239428.db2.gz BWSPOAUWDLQYRY-QIPHDZALSA-N 1 1 346.496 3.313 50 0 EGAAMO CC(C)c1csc(CN2CC[N@@H+](C3CCCC3)[C@H](CCO)C2)n1 ZINC000039532095 213240123 /nfs/dbraw/zinc/24/01/23/213240123.db2.gz LHNLTXDERWXZDZ-MRXNPFEDSA-N 1 1 337.533 3.078 50 0 EGAAMO CCCc1noc(C[N@@H+]2CC[C@@H](c3cccc(OC)c3OC)C2)n1 ZINC000039412612 213236632 /nfs/dbraw/zinc/23/66/32/213236632.db2.gz KDERQYHYFVUOPP-CYBMUJFWSA-N 1 1 331.416 3.029 50 0 EGAAMO CCCc1noc(C[N@H+]2CC[C@@H](c3cccc(OC)c3OC)C2)n1 ZINC000039412612 213236635 /nfs/dbraw/zinc/23/66/35/213236635.db2.gz KDERQYHYFVUOPP-CYBMUJFWSA-N 1 1 331.416 3.029 50 0 EGAAMO CC[C@@](C)([NH2+]Cc1ccccc1)c1nnnn1-c1ccc(OC)cc1 ZINC000035622193 213043247 /nfs/dbraw/zinc/04/32/47/213043247.db2.gz BEQLWFCACYYJNI-LJQANCHMSA-N 1 1 337.427 3.086 50 0 EGAAMO CCC[N@H+]1CCC[C@H](Nc2nc(C3CCCC3)nc3c2cnn3C)C1 ZINC000072129783 216020733 /nfs/dbraw/zinc/02/07/33/216020733.db2.gz SUPFUCWGUSCHJQ-HNNXBMFYSA-N 1 1 342.491 3.307 50 0 EGAAMO CN1CCC([N@H+](CCc2ccccc2)Cc2cncn2C2CC2)CC1 ZINC000072136998 216024813 /nfs/dbraw/zinc/02/48/13/216024813.db2.gz OZEADAKDONZRIT-UHFFFAOYSA-N 1 1 338.499 3.357 50 0 EGAAMO CN1CCC([N@@H+](CCc2ccccc2)Cc2cncn2C2CC2)CC1 ZINC000072136998 216024815 /nfs/dbraw/zinc/02/48/15/216024815.db2.gz OZEADAKDONZRIT-UHFFFAOYSA-N 1 1 338.499 3.357 50 0 EGAAMO COCc1ncc(C[N@H+]2CCCC[C@H]2CCc2cccc(O)c2)cn1 ZINC000072151866 216040020 /nfs/dbraw/zinc/04/00/20/216040020.db2.gz PAUTXJOGXAOXGR-SFHVURJKSA-N 1 1 341.455 3.316 50 0 EGAAMO OC[C@H]1CCN(c2cc(-c3ccccc3)[nH+]c3ccccc32)C[C@H]1O ZINC000072151529 216040074 /nfs/dbraw/zinc/04/00/74/216040074.db2.gz ZSTGRKOAXQVOLH-IIBYNOLFSA-N 1 1 334.419 3.081 50 0 EGAAMO CC[C@H]1CN(Cc2ccc(Cn3cccn3)cc2)CC[N@H+]1C(C)C ZINC000072152560 216040445 /nfs/dbraw/zinc/04/04/45/216040445.db2.gz PFDKIUDJXFCODA-FQEVSTJZSA-N 1 1 326.488 3.236 50 0 EGAAMO CCOc1ncccc1CNc1nc(C2CCCC2)nc2c1C[NH2+]C2 ZINC000072147948 216035584 /nfs/dbraw/zinc/03/55/84/216035584.db2.gz MNNJIZWYMKPELV-UHFFFAOYSA-N 1 1 339.443 3.143 50 0 EGAAMO COCc1ncc(C[N@H+]2CCC[C@H](COc3ccc(F)cc3)C2)cn1 ZINC000072156034 216045344 /nfs/dbraw/zinc/04/53/44/216045344.db2.gz DCCUZHYPIHDPIU-HNNXBMFYSA-N 1 1 345.418 3.053 50 0 EGAAMO Cc1oc(-c2ccccc2Cl)nc1C[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000072421487 216210784 /nfs/dbraw/zinc/21/07/84/216210784.db2.gz NCSSCIBSCOCRLV-GFCCVEGCSA-N 1 1 333.819 3.001 50 0 EGAAMO CC(C)(O)CCc1ccc(C[N@@H+]2Cc3ccccc3[C@@H](O)C2)cc1 ZINC000072430769 216223504 /nfs/dbraw/zinc/22/35/04/216223504.db2.gz KKKYOVMHWKABOV-FQEVSTJZSA-N 1 1 325.452 3.439 50 0 EGAAMO Clc1ccc(-c2noc(CCn3cc[nH+]c3[C@@H]3CCOC3)n2)cc1 ZINC000072453438 216240636 /nfs/dbraw/zinc/24/06/36/216240636.db2.gz NUTDSWRHAPOVAE-CYBMUJFWSA-N 1 1 344.802 3.333 50 0 EGAAMO C[N@H+]1CCCC[C@@H]1CNc1cc(-c2ccc(F)cc2)nc2ccnn21 ZINC000072474138 216251179 /nfs/dbraw/zinc/25/11/79/216251179.db2.gz IBAVEXHCESZZAL-MRXNPFEDSA-N 1 1 339.418 3.432 50 0 EGAAMO COc1ccc(CN2CC[N@@H+](C(C)C)[C@@H](CCO)C2)c2ccccc12 ZINC000022852485 212329866 /nfs/dbraw/zinc/32/98/66/212329866.db2.gz FJFJVLYBTMEOOT-SFHVURJKSA-N 1 1 342.483 3.125 50 0 EGAAMO COc1ccc(C[N@@H+]2CCN(C(C)C)[C@@H](CCO)C2)c2ccccc12 ZINC000022852485 212329869 /nfs/dbraw/zinc/32/98/69/212329869.db2.gz FJFJVLYBTMEOOT-SFHVURJKSA-N 1 1 342.483 3.125 50 0 EGAAMO COc1ccc(C[N@H+]2CCN(C(C)C)[C@@H](CCO)C2)c2ccccc12 ZINC000022852485 212329872 /nfs/dbraw/zinc/32/98/72/212329872.db2.gz FJFJVLYBTMEOOT-SFHVURJKSA-N 1 1 342.483 3.125 50 0 EGAAMO COc1ccc(CN2CC[N@H+](C3CCCCC3)C[C@@H]2CCO)cc1C ZINC000022852499 212328908 /nfs/dbraw/zinc/32/89/08/212328908.db2.gz HNBSYVYNCGQAJO-FQEVSTJZSA-N 1 1 346.515 3.205 50 0 EGAAMO CCc1ccc([C@@H](C[NH2+]Cc2cnn(-c3ccccc3)n2)N(C)C)cc1 ZINC000022787476 212324663 /nfs/dbraw/zinc/32/46/63/212324663.db2.gz VAPSHYLROYHDAR-OAQYLSRUSA-N 1 1 349.482 3.222 50 0 EGAAMO COCC(=O)N1CCC[N@@H+](Cc2ccc(-c3ccccc3)s2)CC1 ZINC000214975778 241099664 /nfs/dbraw/zinc/09/96/64/241099664.db2.gz HMYQXAQDYFHSHY-UHFFFAOYSA-N 1 1 344.480 3.096 50 0 EGAAMO CSc1ncc(C[N@@H+](C)C[C@@H]2CCN(c3ccccc3)C2)cn1 ZINC000215219082 241113383 /nfs/dbraw/zinc/11/33/83/241113383.db2.gz APRYAWZNDRDPHI-HNNXBMFYSA-N 1 1 328.485 3.157 50 0 EGAAMO CCn1nc(C)c(C[N@H+]2CCC[C@@H](C(=O)c3ccccn3)C2)c1C ZINC000216291586 241181368 /nfs/dbraw/zinc/18/13/68/241181368.db2.gz YKUYXOXMHJSLCD-MRXNPFEDSA-N 1 1 326.444 3.010 50 0 EGAAMO C[NH+]1CCN(Cc2ccccc2C(=O)c2cc(F)c(F)c(F)c2)CC1 ZINC000022028263 212272732 /nfs/dbraw/zinc/27/27/32/212272732.db2.gz WISVFQAZJHJGKZ-UHFFFAOYSA-N 1 1 348.368 3.082 50 0 EGAAMO C[C@H](C(=O)NCCc1noc(C2CCCC2)n1)[N@@H+](C)C1CCCCC1 ZINC000219043987 241362854 /nfs/dbraw/zinc/36/28/54/241362854.db2.gz NZCHOAHODHIVMZ-CQSZACIVSA-N 1 1 348.491 3.039 50 0 EGAAMO CCC(=O)Nc1ccc(Nc2cc(N3CCCC3)nc(C)[nH+]2)cc1 ZINC000021794120 212250251 /nfs/dbraw/zinc/25/02/51/212250251.db2.gz VTOQIFAELVGYBL-UHFFFAOYSA-N 1 1 325.416 3.477 50 0 EGAAMO CCC(=O)Nc1ccc(Nc2cc(N3CCCC3)[nH+]c(C)n2)cc1 ZINC000021794120 212250253 /nfs/dbraw/zinc/25/02/53/212250253.db2.gz VTOQIFAELVGYBL-UHFFFAOYSA-N 1 1 325.416 3.477 50 0 EGAAMO C[C@@H](C(=O)N1CCCCCC1)[N@@H+](C)Cc1ccnc2ccccc12 ZINC000243892377 243027086 /nfs/dbraw/zinc/02/70/86/243027086.db2.gz AHEYMWMTVLMHHE-INIZCTEOSA-N 1 1 325.456 3.458 50 0 EGAAMO CNc1nc(C[N@@H+](CCO)CC23CC4CC(CC(C4)C2)C3)cs1 ZINC000243932681 243035923 /nfs/dbraw/zinc/03/59/23/243035923.db2.gz BXTGPMNBGDICQB-UHFFFAOYSA-N 1 1 335.517 3.196 50 0 EGAAMO Cc1cccc(OCCC[N@@H+](C)Cc2nnc(-c3cccnc3)o2)c1 ZINC000244763821 243076769 /nfs/dbraw/zinc/07/67/69/243076769.db2.gz OWBDYEHYFKPTAD-UHFFFAOYSA-N 1 1 338.411 3.341 50 0 EGAAMO Cc1cccc(OCCC[N@H+](C)Cc2nnc(-c3cccnc3)o2)c1 ZINC000244763821 243076775 /nfs/dbraw/zinc/07/67/75/243076775.db2.gz OWBDYEHYFKPTAD-UHFFFAOYSA-N 1 1 338.411 3.341 50 0 EGAAMO Cc1ccc(C[N@@H+]2CCC(=O)N(CCOc3ccccc3)CC2)s1 ZINC000020601581 212150953 /nfs/dbraw/zinc/15/09/53/212150953.db2.gz YUNKADPPJUNZEM-UHFFFAOYSA-N 1 1 344.480 3.170 50 0 EGAAMO CCc1nc2ccccc2n1CCC[N@H+]1CCC[C@H](C(C)(C)O)C1 ZINC000020537808 212144458 /nfs/dbraw/zinc/14/44/58/212144458.db2.gz VGEDPEOAXGIRAG-INIZCTEOSA-N 1 1 329.488 3.472 50 0 EGAAMO CC(C)[N@H+]1CCN(Cc2cccc(-c3ccco3)c2)C[C@@H]1CCO ZINC000020385460 212124383 /nfs/dbraw/zinc/12/43/83/212124383.db2.gz RVDYIGTWGYRGGN-IBGZPJMESA-N 1 1 328.456 3.224 50 0 EGAAMO c1cc(OC2CCCC2)ccc1C[N@H+]1CCC[C@@H](N2CCOCC2)C1 ZINC000019838859 212073923 /nfs/dbraw/zinc/07/39/23/212073923.db2.gz ZTWVNFUJGGIVHQ-LJQANCHMSA-N 1 1 344.499 3.305 50 0 EGAAMO Cc1ccccc1-c1n[nH]c2c1C[N@@H+](Cc1cccc3nonc31)CC2 ZINC000019811955 212070962 /nfs/dbraw/zinc/07/09/62/212070962.db2.gz LFTPMGVGSRXRQQ-UHFFFAOYSA-N 1 1 345.406 3.480 50 0 EGAAMO COc1cc(CN2CC[NH+](C/C=C/c3ccccc3)CC2)ccc1O ZINC000019536946 212039529 /nfs/dbraw/zinc/03/95/29/212039529.db2.gz LXFMJJOYAQOSBI-VMPITWQZSA-N 1 1 338.451 3.232 50 0 EGAAMO C[N@@H+](Cc1ccc(CO)o1)[C@H]1CCCN(Cc2ccccc2F)C1 ZINC000019224746 212007154 /nfs/dbraw/zinc/00/71/54/212007154.db2.gz GVLMNUWHVAWFJM-INIZCTEOSA-N 1 1 332.419 3.007 50 0 EGAAMO CN(Cc1ccc(CO)o1)[C@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000019224746 212007156 /nfs/dbraw/zinc/00/71/56/212007156.db2.gz GVLMNUWHVAWFJM-INIZCTEOSA-N 1 1 332.419 3.007 50 0 EGAAMO CN(Cc1ccc(CO)o1)[C@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000019224746 212007159 /nfs/dbraw/zinc/00/71/59/212007159.db2.gz GVLMNUWHVAWFJM-INIZCTEOSA-N 1 1 332.419 3.007 50 0 EGAAMO O=C(NC[C@@H](c1ccc2c(c1)OCO2)[NH+]1CCCC1)c1cccs1 ZINC000012197161 211317748 /nfs/dbraw/zinc/31/77/48/211317748.db2.gz MIFHZGKFBNXPFI-AWEZNQCLSA-N 1 1 344.436 3.044 50 0 EGAAMO CCN1C[C@H](C[N@@H+](C)Cc2nc(-c3cccc(C)c3)oc2C)CC1=O ZINC000011934597 211271677 /nfs/dbraw/zinc/27/16/77/211271677.db2.gz UZXAZLJRHNGUKI-INIZCTEOSA-N 1 1 341.455 3.259 50 0 EGAAMO O=C1N(C2CCCCC2)CCC[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC000091452362 218008741 /nfs/dbraw/zinc/00/87/41/218008741.db2.gz FJLRWRJMWHHFEJ-FQEVSTJZSA-N 1 1 327.472 3.229 50 0 EGAAMO Cn1ccnc1C[N@@H+]1CCC[C@H](CCC(=O)Nc2ccccc2F)C1 ZINC000011820219 211251483 /nfs/dbraw/zinc/25/14/83/211251483.db2.gz KOVGLXKODPKBKX-OAHLLOKOSA-N 1 1 344.434 3.190 50 0 EGAAMO Cn1ccnc1C[N@H+]1CCC[C@H](CCC(=O)Nc2ccccc2F)C1 ZINC000011820219 211251488 /nfs/dbraw/zinc/25/14/88/211251488.db2.gz KOVGLXKODPKBKX-OAHLLOKOSA-N 1 1 344.434 3.190 50 0 EGAAMO C[N@@H+](Cc1ccccc1)[C@H]1CCCN(C(=O)Cc2ccsc2)C1 ZINC000011816859 211249292 /nfs/dbraw/zinc/24/92/92/211249292.db2.gz IOTBBVGFPQSQCF-SFHVURJKSA-N 1 1 328.481 3.414 50 0 EGAAMO O=C(NC[C@H]1CCC[N@H+](Cc2cccc(O)c2)C1)c1cccs1 ZINC000011662036 211230315 /nfs/dbraw/zinc/23/03/15/211230315.db2.gz JEHZQUWJAMDUJL-OAHLLOKOSA-N 1 1 330.453 3.096 50 0 EGAAMO COc1ccc(-c2nc(C[N@H+]3CCC[C@@H](OC)C3)c(C)o2)cc1OC ZINC000011661373 211230199 /nfs/dbraw/zinc/23/01/99/211230199.db2.gz NJLNEWRIUDQHHU-OAHLLOKOSA-N 1 1 346.427 3.278 50 0 EGAAMO COc1ccc(-c2nc(C[N@@H+]3CCC[C@@H](OC)C3)c(C)o2)cc1OC ZINC000011661373 211230202 /nfs/dbraw/zinc/23/02/02/211230202.db2.gz NJLNEWRIUDQHHU-OAHLLOKOSA-N 1 1 346.427 3.278 50 0 EGAAMO COCCn1ccnc1[C@H]1CCC[N@@H+](CCCc2ccccc2)C1 ZINC000091860267 218079647 /nfs/dbraw/zinc/07/96/47/218079647.db2.gz BBBGUZWNDGMFDD-IBGZPJMESA-N 1 1 327.472 3.342 50 0 EGAAMO C[N@H+]1CCCCC[C@H]1C(=O)NCc1c[nH]nc1-c1ccc(Cl)cc1 ZINC000091907141 218087084 /nfs/dbraw/zinc/08/70/84/218087084.db2.gz OYSKRYDLOSKLLK-INIZCTEOSA-N 1 1 346.862 3.221 50 0 EGAAMO C[N@H+](Cc1cc(-c2ccncc2)no1)Cc1cc(=O)c2ccccc2[nH]1 ZINC000091951060 218093085 /nfs/dbraw/zinc/09/30/85/218093085.db2.gz BJPMYCZTDJHINT-UHFFFAOYSA-N 1 1 346.390 3.210 50 0 EGAAMO C[N@@H+](Cc1cc(-c2ccncc2)no1)Cc1cc(=O)c2ccccc2[nH]1 ZINC000091951060 218093089 /nfs/dbraw/zinc/09/30/89/218093089.db2.gz BJPMYCZTDJHINT-UHFFFAOYSA-N 1 1 346.390 3.210 50 0 EGAAMO COCCC[C@@]1(CO)CCC[N@@H+](Cc2c[nH]nc2C2CCCCC2)C1 ZINC000092098426 218118824 /nfs/dbraw/zinc/11/88/24/218118824.db2.gz GBUREWQTVUKEPU-FQEVSTJZSA-N 1 1 349.519 3.459 50 0 EGAAMO OCc1ccc(C[C@@H]2CC[N@@H+](Cc3ccc4c(c3)OCCO4)C2)cc1 ZINC000092062139 218111634 /nfs/dbraw/zinc/11/16/34/218111634.db2.gz SMLDFOQZTHYSQB-IBGZPJMESA-N 1 1 339.435 3.015 50 0 EGAAMO CC1CCC([N@@H+](C)Cc2nc(=O)c3c4c(sc3[nH]2)CCC4)CC1 ZINC000009885121 211130191 /nfs/dbraw/zinc/13/01/91/211130191.db2.gz UZULPZBDUXZVEO-UHFFFAOYSA-N 1 1 331.485 3.484 50 0 EGAAMO CCc1ccc(O[C@@H](C)C(=O)NC[C@H](c2ccco2)[NH+](C)C)cc1 ZINC000009531151 211100245 /nfs/dbraw/zinc/10/02/45/211100245.db2.gz RGAGILNWDBNRHM-WMLDXEAASA-N 1 1 330.428 3.028 50 0 EGAAMO Cc1ccccc1[C@@H](C(=O)NCc1cc(F)c(F)cc1F)[NH+](C)C ZINC000095373693 218306263 /nfs/dbraw/zinc/30/62/63/218306263.db2.gz IYUALOZYJHRJET-KRWDZBQOSA-N 1 1 336.357 3.331 50 0 EGAAMO Cc1cccc([C@H](C(=O)N2CCC3(CCOCC3)CC2)[NH+](C)C)c1 ZINC000095377263 218309709 /nfs/dbraw/zinc/30/97/09/218309709.db2.gz JJLOUBGTEDYSSO-GOSISDBHSA-N 1 1 330.472 3.017 50 0 EGAAMO Cc1cc(C)nc(CN(C)C(=O)[C@H](c2cccc(F)c2)[NH+](C)C)c1 ZINC000095386933 218318848 /nfs/dbraw/zinc/31/88/48/218318848.db2.gz VFDIYOCHZKXADY-SFHVURJKSA-N 1 1 329.419 3.099 50 0 EGAAMO C[N@H+]1CCCC[C@H]1CCC(=O)NCc1cc(-c2ccccc2F)no1 ZINC000095385828 218318257 /nfs/dbraw/zinc/31/82/57/218318257.db2.gz FQBYJJGXSJQRMM-AWEZNQCLSA-N 1 1 345.418 3.361 50 0 EGAAMO CO[C@]12CC[N@@H+](Cc3cccc(C(F)(F)F)c3)[C@H]1C[C@H](O)CC2 ZINC000426428802 257968649 /nfs/dbraw/zinc/96/86/49/257968649.db2.gz AVVIPHAUTGZGCB-OWCLPIDISA-N 1 1 329.362 3.210 50 0 EGAAMO O=C(NCC[N@H+]1CC[C@@H](c2ccccc2)C1)Nc1ccc2n[nH]cc2c1 ZINC000299772217 258084063 /nfs/dbraw/zinc/08/40/63/258084063.db2.gz SHCCYAWZOMOGOD-MRXNPFEDSA-N 1 1 349.438 3.174 50 0 EGAAMO CCSc1ccc(NC(=O)N[C@H](C)CC[NH+]2CCOCC2)cc1 ZINC000299781471 258090294 /nfs/dbraw/zinc/09/02/94/258090294.db2.gz HWIMIMMWMJJCRZ-CQSZACIVSA-N 1 1 337.489 3.031 50 0 EGAAMO CC[N@H+]1CC[C@@H](C(=O)NCc2csc(-c3cccc(C)c3)n2)C1 ZINC000299789821 258095516 /nfs/dbraw/zinc/09/55/16/258095516.db2.gz AAYXAKVZHRUERL-OAHLLOKOSA-N 1 1 329.469 3.077 50 0 EGAAMO COc1cc(C[NH+]2CCN(c3ccccc3F)CC2)cc(OC)c1 ZINC000055031576 132192742 /nfs/dbraw/zinc/19/27/42/132192742.db2.gz KOERCOPQDLDGGH-UHFFFAOYSA-N 1 1 330.403 3.165 50 0 EGAAMO c1nc(CO[C@@H]2COCC[C@H]2Nc2[nH+]ccc3ccccc32)cs1 ZINC000222468691 285575101 /nfs/dbraw/zinc/57/51/01/285575101.db2.gz VWVGZENBJYHGCO-IAGOWNOFSA-N 1 1 341.436 3.478 50 0 EGAAMO CCc1cccc(OCC[N@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)c1 ZINC000195520961 266186885 /nfs/dbraw/zinc/18/68/85/266186885.db2.gz NPIAMLAEJYNPGL-QGZVFWFLSA-N 1 1 340.471 3.045 50 0 EGAAMO O=C1C[C@H]([N@@H+]2C[C@@H]3CC=CC[C@@H]3C2)C(=O)N1c1ccc(F)c(Cl)c1 ZINC000015080407 275020668 /nfs/dbraw/zinc/02/06/68/275020668.db2.gz VJXKIVSEPDYYAT-OZVIIMIRSA-N 1 1 348.805 3.009 50 0 EGAAMO CCOC(=O)c1ccccc1C(=O)c1cccc(C[NH+]2CC=CC2)c1 ZINC000002515386 452701969 /nfs/dbraw/zinc/70/19/69/452701969.db2.gz MMMWTNLAWUFCGS-UHFFFAOYSA-N 1 1 335.403 3.466 50 0 EGAAMO COc1ccc(C(=O)c2cccc(C[NH+]3CCSCC3)c2)cc1 ZINC000002515273 452702775 /nfs/dbraw/zinc/70/27/75/452702775.db2.gz HITMDASOHFDIJU-UHFFFAOYSA-N 1 1 327.449 3.475 50 0 EGAAMO COc1ccccc1C(=O)N1CCC([N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000002734965 452718478 /nfs/dbraw/zinc/71/84/78/452718478.db2.gz IHQWZVGNHFCNKW-IYBDPMFKSA-N 1 1 330.472 3.278 50 0 EGAAMO CC[C@](C)(c1nnnn1C(c1ccccc1)c1ccccc1)[NH+](C)C ZINC000004614315 452811030 /nfs/dbraw/zinc/81/10/30/452811030.db2.gz JFHXOXAGMFPMCP-HXUWFJFHSA-N 1 1 335.455 3.498 50 0 EGAAMO CCOC(=O)[C@H]1CCC[N@@H+](CCOc2cccc(C(F)(F)F)c2)C1 ZINC000006704714 452973962 /nfs/dbraw/zinc/97/39/62/452973962.db2.gz BAPGFJRZRNONCP-ZDUSSCGKSA-N 1 1 345.361 3.359 50 0 EGAAMO CCOC(=O)[C@@H]1CCC[N@@H+](CCOc2cccc(C(F)(F)F)c2)C1 ZINC000006704708 452974456 /nfs/dbraw/zinc/97/44/56/452974456.db2.gz BAPGFJRZRNONCP-CYBMUJFWSA-N 1 1 345.361 3.359 50 0 EGAAMO C[N@@H+](Cc1nc(-c2ccc(C(F)(F)F)cc2)no1)C1CCOCC1 ZINC000012594221 453382021 /nfs/dbraw/zinc/38/20/21/453382021.db2.gz ONVFOFZBGPMDBA-UHFFFAOYSA-N 1 1 341.333 3.366 50 0 EGAAMO CCOC(=O)[C@@]1(Cc2ccccc2C)CCC[N@H+](Cc2ccon2)C1 ZINC000012593604 453382162 /nfs/dbraw/zinc/38/21/62/453382162.db2.gz SEOPKWYQOULXQF-HXUWFJFHSA-N 1 1 342.439 3.371 50 0 EGAAMO CCOC(=O)[C@@]1(Cc2ccccc2C)CCC[N@@H+](Cc2ccon2)C1 ZINC000012593604 453382172 /nfs/dbraw/zinc/38/21/72/453382172.db2.gz SEOPKWYQOULXQF-HXUWFJFHSA-N 1 1 342.439 3.371 50 0 EGAAMO COc1ccc(C[N@H+]2CCC[C@@H]2CO)cc1OCc1ccccc1 ZINC000023280012 453707904 /nfs/dbraw/zinc/70/79/04/453707904.db2.gz MQKCDDJJTWYELB-GOSISDBHSA-N 1 1 327.424 3.231 50 0 EGAAMO CCOc1ccccc1C(=O)NC[C@@H](c1ccccc1OC)[NH+](C)C ZINC000027989948 453821632 /nfs/dbraw/zinc/82/16/32/453821632.db2.gz NYCLZIGKRIOMIT-KRWDZBQOSA-N 1 1 342.439 3.127 50 0 EGAAMO CC[N@H+]1CCC[C@@H](NC(=O)N(C)Cc2cccc(C(F)(F)F)c2)C1 ZINC000052593781 453838759 /nfs/dbraw/zinc/83/87/59/453838759.db2.gz OSENQFCTCDGKOZ-OAHLLOKOSA-N 1 1 343.393 3.331 50 0 EGAAMO Cc1nc([C@@H]2CCC[N@H+](Cc3cc4c(c(Cl)c3)OCO4)C2)no1 ZINC000075573144 453906629 /nfs/dbraw/zinc/90/66/29/453906629.db2.gz XKJLEHSOYMNAOU-GFCCVEGCSA-N 1 1 335.791 3.140 50 0 EGAAMO Cc1nc([C@@H]2CCC[N@@H+](Cc3cc4c(c(Cl)c3)OCO4)C2)no1 ZINC000075573144 453906632 /nfs/dbraw/zinc/90/66/32/453906632.db2.gz XKJLEHSOYMNAOU-GFCCVEGCSA-N 1 1 335.791 3.140 50 0 EGAAMO Cc1nc(C)c(C(=O)N2CCCC[C@H]2CCn2cc[nH+]c2C)s1 ZINC000082096191 453923491 /nfs/dbraw/zinc/92/34/91/453923491.db2.gz LIHSLOJWDKVDSI-HNNXBMFYSA-N 1 1 332.473 3.350 50 0 EGAAMO CSc1ccc(C(=O)N2CCCC[C@@H]2CC[NH+]2CCOCC2)cc1 ZINC000082121437 453925537 /nfs/dbraw/zinc/92/55/37/453925537.db2.gz WHBIGHYEBHNVFY-QGZVFWFLSA-N 1 1 348.512 3.126 50 0 EGAAMO Cc1cccc2[nH]c(C3CCN(C(=O)[C@@H]4CCCC[N@@H+]4C)CC3)nc21 ZINC000082127182 453925679 /nfs/dbraw/zinc/92/56/79/453925679.db2.gz QNZARYAVOOXYJL-KRWDZBQOSA-N 1 1 340.471 3.062 50 0 EGAAMO Cc1cccc2nc(C3CCN(C(=O)[C@@H]4CCCC[N@H+]4C)CC3)[nH]c21 ZINC000082127182 453925681 /nfs/dbraw/zinc/92/56/81/453925681.db2.gz QNZARYAVOOXYJL-KRWDZBQOSA-N 1 1 340.471 3.062 50 0 EGAAMO Cc1cccc2nc(C3CCN(C(=O)[C@@H]4CCCC[N@@H+]4C)CC3)[nH]c21 ZINC000082127182 453925684 /nfs/dbraw/zinc/92/56/84/453925684.db2.gz QNZARYAVOOXYJL-KRWDZBQOSA-N 1 1 340.471 3.062 50 0 EGAAMO COc1ccccc1CC(=O)N1CCCC[C@@H]1CCn1cc[nH+]c1C ZINC000082171072 453927836 /nfs/dbraw/zinc/92/78/36/453927836.db2.gz CLELNSULUBLINX-GOSISDBHSA-N 1 1 341.455 3.214 50 0 EGAAMO Cc1cccc(-c2c[nH]nc2C2CCN(c3cc(N)[nH+]cn3)CC2)c1 ZINC000067855593 453972899 /nfs/dbraw/zinc/97/28/99/453972899.db2.gz XEAZYOOMASKDPF-UHFFFAOYSA-N 1 1 334.427 3.141 50 0 EGAAMO C[N@@H+](Cc1nc2ccccc2s1)[C@H]1CCOC2(CCOCC2)C1 ZINC000077323122 454091661 /nfs/dbraw/zinc/09/16/61/454091661.db2.gz JNYNJWRKKNMYAU-AWEZNQCLSA-N 1 1 332.469 3.456 50 0 EGAAMO c1cnn(CC[C@H]2CCCC[N@H+]2Cc2ccc(-c3cc[nH]n3)o2)c1 ZINC000077377098 454099683 /nfs/dbraw/zinc/09/96/83/454099683.db2.gz HHOUCPNQGYCNTQ-OAHLLOKOSA-N 1 1 325.416 3.311 50 0 EGAAMO CCc1c(C)nc(C)nc1N1CCC[N@@H+](Cc2cccs2)CC1 ZINC000077485888 454111204 /nfs/dbraw/zinc/11/12/04/454111204.db2.gz MSOAVVFCZNHMES-UHFFFAOYSA-N 1 1 330.501 3.430 50 0 EGAAMO Cn1nc(C[N@@H+]2CCC[C@H](c3cc[nH]n3)C2)c2c1cccc2Cl ZINC000077521154 454117045 /nfs/dbraw/zinc/11/70/45/454117045.db2.gz OWAPDEFKKBPGJU-LBPRGKRZSA-N 1 1 329.835 3.329 50 0 EGAAMO Cn1nc(C[N@H+]2CCC[C@H](c3cc[nH]n3)C2)c2c1cccc2Cl ZINC000077521154 454117049 /nfs/dbraw/zinc/11/70/49/454117049.db2.gz OWAPDEFKKBPGJU-LBPRGKRZSA-N 1 1 329.835 3.329 50 0 EGAAMO Cc1cc(C)c2nc(C)cc(C(=O)N3CC[C@@H]4CC[C@H](C3)[N@H+]4C)c2c1 ZINC000077535711 454118874 /nfs/dbraw/zinc/11/88/74/454118874.db2.gz UVBSHCRENNYESZ-DLBZAZTESA-N 1 1 337.467 3.469 50 0 EGAAMO CCCCc1nc(C[NH+]2CCC(c3ccnn3CCO)CC2)cs1 ZINC000058326251 454186582 /nfs/dbraw/zinc/18/65/82/454186582.db2.gz ITHPCDCPOUCEOB-UHFFFAOYSA-N 1 1 348.516 3.054 50 0 EGAAMO CC(C)c1noc(CN2C[C@H]3CC[C@@H]2C[N@@H+](Cc2ccccc2)C3)n1 ZINC000095379534 454199713 /nfs/dbraw/zinc/19/97/13/454199713.db2.gz UASJGFGYUFECQE-ZWKOTPCHSA-N 1 1 340.471 3.289 50 0 EGAAMO Cc1ccc(O)c(C(=O)N2CCC[N@@H+](CC3CC3)[C@H](C(C)C)C2)c1 ZINC000071721538 454211266 /nfs/dbraw/zinc/21/12/66/454211266.db2.gz WANHQSXWUUGMAF-SFHVURJKSA-N 1 1 330.472 3.283 50 0 EGAAMO CSc1ccc(-c2nc(C[N@@H+]3CC[C@@H](NC(C)=O)C3)c(C)o2)cc1 ZINC000071753696 454214697 /nfs/dbraw/zinc/21/46/97/454214697.db2.gz WODYTQNJGZUDIK-OAHLLOKOSA-N 1 1 345.468 3.082 50 0 EGAAMO CSc1ccc(-c2nc(C[N@H+]3CC[C@@H](NC(C)=O)C3)c(C)o2)cc1 ZINC000071753696 454214699 /nfs/dbraw/zinc/21/46/99/454214699.db2.gz WODYTQNJGZUDIK-OAHLLOKOSA-N 1 1 345.468 3.082 50 0 EGAAMO CC(C)c1nccc(C(=O)N2CCC[N@@H+](CC3CC3)[C@@H](C(C)C)C2)n1 ZINC000071760858 454215004 /nfs/dbraw/zinc/21/50/04/454215004.db2.gz ILBRBNOUXYEQPB-GOSISDBHSA-N 1 1 344.503 3.183 50 0 EGAAMO C[N@H+]1Cc2ccccc2C[C@H]1CNc1nccc(-c2ccncc2)n1 ZINC000096166638 454297180 /nfs/dbraw/zinc/29/71/80/454297180.db2.gz DKQWLBPJRNBLHT-SFHVURJKSA-N 1 1 331.423 3.007 50 0 EGAAMO Cc1ccccc1-c1noc(C[N@@H+]2CC[C@H](CNc3ccccn3)C2)n1 ZINC000097200585 454423890 /nfs/dbraw/zinc/42/38/90/454423890.db2.gz FVQBAXRCNPUZBP-MRXNPFEDSA-N 1 1 349.438 3.374 50 0 EGAAMO Cc1ccccc1-c1noc(C[N@H+]2CC[C@H](CNc3ccccn3)C2)n1 ZINC000097200585 454423895 /nfs/dbraw/zinc/42/38/95/454423895.db2.gz FVQBAXRCNPUZBP-MRXNPFEDSA-N 1 1 349.438 3.374 50 0 EGAAMO Cc1n[nH]c(C)c1[C@@H]([NH3+])C(=O)N(Cc1ccc(C)cc1)C1CCCC1 ZINC000091381252 454432427 /nfs/dbraw/zinc/43/24/27/454432427.db2.gz WPFYHQLZSWZQRT-LJQANCHMSA-N 1 1 340.471 3.306 50 0 EGAAMO Cc1ccc(/N=c2\scc(CCC[NH+]3CCOCC3)n2C)cc1C ZINC000102443081 454505298 /nfs/dbraw/zinc/50/52/98/454505298.db2.gz KWMFGLJNXIKPTC-VXPUYCOJSA-N 1 1 345.512 3.201 50 0 EGAAMO COc1cc(NC(=O)C[NH2+]Cc2cc(F)ccc2F)ccc1Cl ZINC000065394143 454559091 /nfs/dbraw/zinc/55/90/91/454559091.db2.gz HPEIKLIWURLFRU-UHFFFAOYSA-N 1 1 340.757 3.355 50 0 EGAAMO O=C(N[C@@H](c1cccs1)C1CCCCC1)c1cc2n(n1)CC[NH2+]C2 ZINC000065434715 454567111 /nfs/dbraw/zinc/56/71/11/454567111.db2.gz IKNLCXQQWONTBJ-QGZVFWFLSA-N 1 1 344.484 3.099 50 0 EGAAMO Cn1cnnc1Sc1ccc(C[N@@H+]2CCC[C@@H]2c2ccccn2)o1 ZINC000065468036 454572341 /nfs/dbraw/zinc/57/23/41/454572341.db2.gz CPIXCXJVJRSYNV-OAHLLOKOSA-N 1 1 341.440 3.291 50 0 EGAAMO Cn1cnnc1Sc1ccc(C[N@H+]2CCC[C@@H]2c2ccccn2)o1 ZINC000065468036 454572345 /nfs/dbraw/zinc/57/23/45/454572345.db2.gz CPIXCXJVJRSYNV-OAHLLOKOSA-N 1 1 341.440 3.291 50 0 EGAAMO COCC[N@H+]1CC[C@H](c2nc(CC(C)C)nn2-c2ccccc2F)C1 ZINC000065504596 454579854 /nfs/dbraw/zinc/57/98/54/454579854.db2.gz IUGARHLRMKMSFG-HNNXBMFYSA-N 1 1 346.450 3.041 50 0 EGAAMO Cc1ccsc1C[N@H+](C)Cc1c(C)n(C)n(-c2ccccc2)c1=O ZINC000065529727 454584891 /nfs/dbraw/zinc/58/48/91/454584891.db2.gz TUUVWXHQYLSFOW-UHFFFAOYSA-N 1 1 341.480 3.486 50 0 EGAAMO Cc1cc([C@H]2CCCC[N@@H+]2CCC(=O)NCc2cccs2)no1 ZINC000252502194 455815782 /nfs/dbraw/zinc/81/57/82/455815782.db2.gz UNIAHTKNDPLCFI-MRXNPFEDSA-N 1 1 333.457 3.278 50 0 EGAAMO Cc1cc([C@H]2CCCC[N@H+]2CCC(=O)NCc2cccs2)no1 ZINC000252502194 455815786 /nfs/dbraw/zinc/81/57/86/455815786.db2.gz UNIAHTKNDPLCFI-MRXNPFEDSA-N 1 1 333.457 3.278 50 0 EGAAMO Cc1ncsc1CCCNC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000222437739 456047449 /nfs/dbraw/zinc/04/74/49/456047449.db2.gz BOQHWIFJIVQLAN-KRWDZBQOSA-N 1 1 343.496 3.165 50 0 EGAAMO C[N@H+]1CCC[C@@H](CCNC(=O)Cc2ccccc2C(F)(F)F)C1 ZINC000222400060 456047646 /nfs/dbraw/zinc/04/76/46/456047646.db2.gz JWEDECISHYVQDY-ZDUSSCGKSA-N 1 1 328.378 3.096 50 0 EGAAMO Cc1ncn(C)c1-c1nc([C@H]2C[C@@H](c3ccccc3)[N@H+]3CCC[C@H]23)no1 ZINC000299784010 456780956 /nfs/dbraw/zinc/78/09/56/456780956.db2.gz NXQNHJPVBGIYQA-BBWFWOEESA-N 1 1 349.438 3.472 50 0 EGAAMO O=C(NCC[N@H+]1CCC[C@H](c2ccccc2)C1)c1cc(Cl)c[nH]1 ZINC000426477315 457839082 /nfs/dbraw/zinc/83/90/82/457839082.db2.gz BPPFPKXIJRYLMH-HNNXBMFYSA-N 1 1 331.847 3.278 50 0 EGAAMO CCOc1cc(C[N@H+]2CC[C@]3(OC)CC[C@@H](OC)C[C@H]23)ccc1OC ZINC000426496654 457842633 /nfs/dbraw/zinc/84/26/33/457842633.db2.gz HABGIQUOCQXVKX-LSTHTHJFSA-N 1 1 349.471 3.252 50 0 EGAAMO CC[C@@H](CNC(=O)c1ccc(-c2ccc(CO)cc2)cc1)[N@@H+](C)CC ZINC000426647937 457870159 /nfs/dbraw/zinc/87/01/59/457870159.db2.gz OVDJBPCIVCLBRU-FQEVSTJZSA-N 1 1 340.467 3.306 50 0 EGAAMO Cc1[nH+]ccn1C[C@@H]1CCCN(C(=O)c2cccc3c2NCCC3)C1 ZINC000584903941 459821493 /nfs/dbraw/zinc/82/14/93/459821493.db2.gz PXNYVURLUHFPAJ-INIZCTEOSA-N 1 1 338.455 3.102 50 0 EGAAMO C[C@H](c1ccco1)[N@H+](C)Cc1cccc(C(=O)Nc2nccn2C)c1 ZINC000067563038 472050096 /nfs/dbraw/zinc/05/00/96/472050096.db2.gz LUECACCTQRLYKA-CQSZACIVSA-N 1 1 338.411 3.458 50 0 EGAAMO C[C@H](c1ccco1)[N@@H+](C)Cc1cccc(C(=O)Nc2nccn2C)c1 ZINC000067563038 472050100 /nfs/dbraw/zinc/05/01/00/472050100.db2.gz LUECACCTQRLYKA-CQSZACIVSA-N 1 1 338.411 3.458 50 0 EGAAMO C[NH+](C)Cc1csc(CN2CCC(Oc3cccnc3)CC2)c1 ZINC000215028611 536060540 /nfs/dbraw/zinc/06/05/40/536060540.db2.gz HVZPUBPGMGNCFX-UHFFFAOYSA-N 1 1 331.485 3.248 50 0 EGAAMO COc1cccc(-c2ccc(C(=O)N3C[C@H]4CC[C@@H]3C[N@@H+](C)C4)o2)c1 ZINC000216435984 537064599 /nfs/dbraw/zinc/06/45/99/537064599.db2.gz KODMHNMMWRFIRP-GOEBONIOSA-N 1 1 340.423 3.121 50 0 EGAAMO CCCn1ncc(C[N@H+]2CCC[C@](CO)(Cc3ccccc3)C2)c1C ZINC000012580985 1291133454 /nfs/dbraw/zinc/13/34/54/1291133454.db2.gz SEVHBCGGBMMJLE-NRFANRHFSA-N 1 1 341.499 3.419 50 0 EGAAMO COc1ccc(N[C@@H]2CCC[N@@H+](Cc3cnc(N(C)C)s3)C2)cc1 ZINC000015066606 1291145761 /nfs/dbraw/zinc/14/57/61/1291145761.db2.gz ZJNDRQJBERZKEF-OAHLLOKOSA-N 1 1 346.500 3.294 50 0 EGAAMO COc1cc(C[C@H](C)[NH+]2CCN(Cc3ccccc3)CC2)ccc1O ZINC000023280871 1291233971 /nfs/dbraw/zinc/23/39/71/1291233971.db2.gz MEWUQXKKBAKRTP-KRWDZBQOSA-N 1 1 340.467 3.150 50 0 EGAAMO O=C(Nc1ccc2scnc2c1)[C@H]1CCC[N@H+](C2CCOCC2)C1 ZINC000827733377 1292362281 /nfs/dbraw/zinc/36/22/81/1292362281.db2.gz XJSWQLQZAMUNAT-ZDUSSCGKSA-N 1 1 345.468 3.126 50 0 EGAAMO O=C(c1ccoc1)N1CCC2(CC1)C[N@@H+](CC1=CCCCC1)CCO2 ZINC000828207426 1292442227 /nfs/dbraw/zinc/44/22/27/1292442227.db2.gz NPHJCIVAMKIJNF-UHFFFAOYSA-N 1 1 344.455 3.087 50 0 EGAAMO CC(C)c1csc(C(=O)NCC[N@H+]2CC[C@H](c3ccccc3)C2)n1 ZINC000828231614 1292444420 /nfs/dbraw/zinc/44/44/20/1292444420.db2.gz XUKZUCSWUSZXNK-INIZCTEOSA-N 1 1 343.496 3.486 50 0 EGAAMO c1coc(C[N@H+]2CCC[C@H](c3nnc(Cc4cccs4)[nH]3)C2)c1 ZINC000829076429 1292535896 /nfs/dbraw/zinc/53/58/96/1292535896.db2.gz JRVZHMQNHMJZCD-ZDUSSCGKSA-N 1 1 328.441 3.430 50 0 EGAAMO COCC[N@H+]1CCC[C@@H](CNc2cc(C)c3ccc(OC)cc3n2)C1 ZINC000824413149 1320255957 /nfs/dbraw/zinc/25/59/57/1320255957.db2.gz KSELFYYUEUTNHS-INIZCTEOSA-N 1 1 343.471 3.322 50 0 EGAAMO COc1cccc2c1OCC(C[N@@H+](C)CCCn1nc(C)cc1C)=C2 ZINC000824801324 1320286511 /nfs/dbraw/zinc/28/65/11/1320286511.db2.gz LCNVNGDVDJZVGC-UHFFFAOYSA-N 1 1 341.455 3.306 50 0 EGAAMO CCc1nn(C)c(Cl)c1C[NH2+][C@H](Cn1cccn1)c1ccccc1 ZINC000952864572 1334583130 /nfs/dbraw/zinc/58/31/30/1334583130.db2.gz KGDPBGDZQGYLHQ-QGZVFWFLSA-N 1 1 343.862 3.364 50 0 EGAAMO O=C1CC[C@@H](C[N@H+](Cc2ccncc2)Cc2ccc(F)c(Cl)c2)N1 ZINC000952861721 1334583336 /nfs/dbraw/zinc/58/33/36/1334583336.db2.gz JDIHWZCQKGOZCJ-HNNXBMFYSA-N 1 1 347.821 3.155 50 0 EGAAMO O=C1CC[C@@H](C[N@@H+](Cc2ccncc2)Cc2ccc(F)c(Cl)c2)N1 ZINC000952861721 1334583339 /nfs/dbraw/zinc/58/33/39/1334583339.db2.gz JDIHWZCQKGOZCJ-HNNXBMFYSA-N 1 1 347.821 3.155 50 0 EGAAMO CC[N@H+]1CCC[C@H](CNCc2cc3ccc(Cl)cc3[nH]c2=O)C1 ZINC000952969741 1334626792 /nfs/dbraw/zinc/62/67/92/1334626792.db2.gz NAGKZFMIZRNWBC-CYBMUJFWSA-N 1 1 333.863 3.415 50 0 EGAAMO Cc1cc(C[C@@H]2C[N@@H+](Cc3ccc(C(F)(F)F)cc3)C[C@H]2O)on1 ZINC001704300066 1416432945 /nfs/dbraw/zinc/43/29/45/1416432945.db2.gz VGZVMKWCCYEICL-CZUORRHYSA-N 1 1 340.345 3.037 50 0 EGAAMO C[N@@H+](Cc1ccc(C(F)(F)F)cc1F)[C@H]1C[C@H]2CNC(=O)C[C@H]2C1 ZINC001704339710 1416448781 /nfs/dbraw/zinc/44/87/81/1416448781.db2.gz JPJIHXQDFSQSAH-MBNYWOFBSA-N 1 1 344.352 3.191 50 0 EGAAMO Cc1ncc(Cl)c(NC[C@H](c2cccnc2)[NH+]2CCCCC2)n1 ZINC001772707360 1441417081 /nfs/dbraw/zinc/41/70/81/1441417081.db2.gz QUQGYQUKQRHGMK-MRXNPFEDSA-N 1 1 331.851 3.473 50 0 EGAAMO C[C@H](CCc1c[nH]c2ccccc12)[N@H+]1CCCN(C(=O)C2CC2)CC1 ZINC001772810080 1441417602 /nfs/dbraw/zinc/41/76/02/1441417602.db2.gz HGQNPNFBIQUIQM-MRXNPFEDSA-N 1 1 339.483 3.433 50 0 EGAAMO c1cc2ncnc(N3C[C@@H]4CC[C@H]3C[N@@H+](Cc3ccccc3)C4)c2[nH]1 ZINC001772811525 1441417608 /nfs/dbraw/zinc/41/76/08/1441417608.db2.gz VHWBZOIWOZWDAM-SJORKVTESA-N 1 1 333.439 3.059 50 0 EGAAMO COc1ccc(C(=O)N2CCC([N@@H+]3C[C@H](C)C[C@H](C)C3)CC2)cc1 ZINC000004745671 210267366 /nfs/dbraw/zinc/26/73/66/210267366.db2.gz WIZIFABBTIAFEY-IYBDPMFKSA-N 1 1 330.472 3.278 50 0 EGAAMO Cc1nc2ccccn2c1C[N@H+]1CCC[C@@H](C(=O)c2ccccn2)C1 ZINC000097716679 219050756 /nfs/dbraw/zinc/05/07/56/219050756.db2.gz FLWUPZVPODXWRC-MRXNPFEDSA-N 1 1 334.423 3.133 50 0 EGAAMO CCOc1cccc(C[N@@H+](CCO)Cc2ccc(-c3cc[nH]n3)o2)c1 ZINC000055154031 214280196 /nfs/dbraw/zinc/28/01/96/214280196.db2.gz XVMOUMVAPQTLPL-UHFFFAOYSA-N 1 1 341.411 3.063 50 0 EGAAMO COc1ccccc1C[N@H+](Cc1ccccc1OCCO)C1CC1 ZINC000055154022 214280759 /nfs/dbraw/zinc/28/07/59/214280759.db2.gz GQARRBPJGSAYJV-UHFFFAOYSA-N 1 1 327.424 3.231 50 0 EGAAMO COc1ccccc1C[N@@H+](Cc1ccccc1OCCO)C1CC1 ZINC000055154022 214280761 /nfs/dbraw/zinc/28/07/61/214280761.db2.gz GQARRBPJGSAYJV-UHFFFAOYSA-N 1 1 327.424 3.231 50 0 EGAAMO CC(C)NC(=O)C1CC[NH+](Cc2ccc(Br)cc2)CC1 ZINC000004691593 210249740 /nfs/dbraw/zinc/24/97/40/210249740.db2.gz YTOGDDHFKLIWBR-UHFFFAOYSA-N 1 1 339.277 3.186 50 0 EGAAMO CCn1cc(C[N@H+](Cc2cc3c(c(OC)c2)OCO3)CC(C)C)cn1 ZINC000055255555 214296827 /nfs/dbraw/zinc/29/68/27/214296827.db2.gz YVNHPSCAUBKDKK-UHFFFAOYSA-N 1 1 345.443 3.299 50 0 EGAAMO COc1ccc(-n2cccn2)c(C[N@@H+](C)CCC2CCOCC2)c1 ZINC000097813835 219059136 /nfs/dbraw/zinc/05/91/36/219059136.db2.gz JPDBTVPASNOGTQ-UHFFFAOYSA-N 1 1 329.444 3.129 50 0 EGAAMO O[C@@H]1C[N@@H+](Cc2cccc(Cl)c2)CC[C@H]1c1ccc2c(c1)OCO2 ZINC000067472904 215151226 /nfs/dbraw/zinc/15/12/26/215151226.db2.gz YDXQCDNNZATZDT-DLBZAZTESA-N 1 1 345.826 3.419 50 0 EGAAMO Cc1ncc(C[N@H+]2CC[C@@H](c3ccc4ccccc4c3)[C@H](O)C2)n1C ZINC000067727213 215197757 /nfs/dbraw/zinc/19/77/57/215197757.db2.gz LXWRAQPCBVQOJB-LEWJYISDSA-N 1 1 335.451 3.232 50 0 EGAAMO CC(=O)Nc1ccc(C[N@H+]2CCC[C@@H](CNC(=O)C(C)(C)C)C2)cc1 ZINC000067756233 215205307 /nfs/dbraw/zinc/20/53/07/215205307.db2.gz NSUNKPDWRHPOFH-KRWDZBQOSA-N 1 1 345.487 3.019 50 0 EGAAMO Cc1cccc(C(=O)NC[C@@H]2CC[N@@H+](Cc3ccco3)C2)c1Cl ZINC000067758853 215206191 /nfs/dbraw/zinc/20/61/91/215206191.db2.gz JDDOCYHSHYKUFD-AWEZNQCLSA-N 1 1 332.831 3.493 50 0 EGAAMO CCOc1ccc(CN2CC[N@H+](C3CCCCC3)C[C@H]2CCO)cc1 ZINC000104356936 219377794 /nfs/dbraw/zinc/37/77/94/219377794.db2.gz DMPOBLQNEBGETG-HXUWFJFHSA-N 1 1 346.515 3.287 50 0 EGAAMO Cc1ccc(CN2CC[N@@H+](Cc3ccccc3C)[C@H](CCO)C2)s1 ZINC000104455682 219388829 /nfs/dbraw/zinc/38/88/29/219388829.db2.gz RDEMOHPLIHIDJK-LJQANCHMSA-N 1 1 344.524 3.434 50 0 EGAAMO Cc1ccc(C[N@@H+]2CCN(Cc3ccccc3C)[C@H](CCO)C2)s1 ZINC000104455682 219388833 /nfs/dbraw/zinc/38/88/33/219388833.db2.gz RDEMOHPLIHIDJK-LJQANCHMSA-N 1 1 344.524 3.434 50 0 EGAAMO Cc1ccc(C[N@H+]2CCN(Cc3ccccc3C)[C@H](CCO)C2)s1 ZINC000104455682 219388837 /nfs/dbraw/zinc/38/88/37/219388837.db2.gz RDEMOHPLIHIDJK-LJQANCHMSA-N 1 1 344.524 3.434 50 0 EGAAMO CCC(CC)[N@H+]1CCN(Cc2ccc(F)c(F)c2)[C@H](CCO)C1 ZINC000039371364 213234112 /nfs/dbraw/zinc/23/41/12/213234112.db2.gz XSJNREGSPIMJRC-MRXNPFEDSA-N 1 1 326.431 3.022 50 0 EGAAMO CCc1ccc(C[N@H+]2CCC[C@@]3(C2)c2ccccc2N(C)C3=O)nc1 ZINC000072166474 216055950 /nfs/dbraw/zinc/05/59/50/216055950.db2.gz VQZMCRTYDDMJMC-OAQYLSRUSA-N 1 1 335.451 3.154 50 0 EGAAMO CCCCn1c2ccccc2nc1C[N@H+]1CCC[C@@H](CCC(N)=O)C1 ZINC000072166615 216056301 /nfs/dbraw/zinc/05/63/01/216056301.db2.gz DAUNHYZZASOIQZ-INIZCTEOSA-N 1 1 342.487 3.314 50 0 EGAAMO COC(=O)c1cc(C[N@H+]2CCCN(c3ccc(F)cc3)CC2)cs1 ZINC000072167179 216057493 /nfs/dbraw/zinc/05/74/93/216057493.db2.gz DYNSOQUPZPBYGD-UHFFFAOYSA-N 1 1 348.443 3.386 50 0 EGAAMO CN1C[C@]2(CC[N@@H+](CC(c3ccccc3)c3ccccc3)C2)OC1=O ZINC000072422709 216212257 /nfs/dbraw/zinc/21/22/57/216212257.db2.gz MIWSFLGYHASHDR-NRFANRHFSA-N 1 1 336.435 3.345 50 0 EGAAMO Fc1ccc(C[N@H+]2CCC[C@@]3(CCN(c4cnccn4)C3)C2)cc1F ZINC000072430759 216223824 /nfs/dbraw/zinc/22/38/24/216223824.db2.gz GQBMYQZMNDFQOP-LJQANCHMSA-N 1 1 344.409 3.247 50 0 EGAAMO Cc1ccc(CN2CC[N@@H+](Cc3cccs3)[C@@H](CCO)C2)cc1 ZINC000023373308 212372982 /nfs/dbraw/zinc/37/29/82/212372982.db2.gz ZBSBIJDMMZWUSF-SFHVURJKSA-N 1 1 330.497 3.125 50 0 EGAAMO C[N@H+]1CCC[C@@H](Cn2ccc(-c3cccc(-c4cnccn4)c3)n2)C1 ZINC000023399769 212375512 /nfs/dbraw/zinc/37/55/12/212375512.db2.gz MIQSZWYRSULSQM-MRXNPFEDSA-N 1 1 333.439 3.349 50 0 EGAAMO Cc1ccc(C[N@@H+]2CCN(Cc3cccs3)[C@@H](CCO)C2)cc1 ZINC000023373308 212372989 /nfs/dbraw/zinc/37/29/89/212372989.db2.gz ZBSBIJDMMZWUSF-SFHVURJKSA-N 1 1 330.497 3.125 50 0 EGAAMO Cc1ccc(C[N@H+]2CCN(Cc3cccs3)[C@@H](CCO)C2)cc1 ZINC000023373308 212372993 /nfs/dbraw/zinc/37/29/93/212372993.db2.gz ZBSBIJDMMZWUSF-SFHVURJKSA-N 1 1 330.497 3.125 50 0 EGAAMO C[C@H]1[C@H]2CCC[N@H+]2CCN1Cc1ccc(F)c(Br)c1 ZINC000022078336 212277123 /nfs/dbraw/zinc/27/71/23/212277123.db2.gz NJFNVSBTPDQWGG-XHDPSFHLSA-N 1 1 327.241 3.257 50 0 EGAAMO CCOc1cc2c(cc1C[N@H+]1CCC[C@H](c3nnc[nH]3)C1)CCC2 ZINC000215888439 241154221 /nfs/dbraw/zinc/15/42/21/241154221.db2.gz DLILXZTZLWPSME-INIZCTEOSA-N 1 1 326.444 3.072 50 0 EGAAMO CC(C)c1[nH+]ccn1[C@H](C)C(=O)NCCc1nc2ccccc2o1 ZINC000223846155 241698895 /nfs/dbraw/zinc/69/88/95/241698895.db2.gz VAIOFPULTXEHEF-CYBMUJFWSA-N 1 1 326.400 3.068 50 0 EGAAMO Clc1cnn(CC[N@H+]2CCC[C@@H](Cc3nc4ccccc4[nH]3)C2)c1 ZINC000244708349 243063169 /nfs/dbraw/zinc/06/31/69/243063169.db2.gz KSBCPIVOILVSEA-AWEZNQCLSA-N 1 1 343.862 3.368 50 0 EGAAMO C[N@H+](Cc1cc(-c2cccnc2)no1)Cc1ccc2nsnc2c1 ZINC000244763941 243075905 /nfs/dbraw/zinc/07/59/05/243075905.db2.gz OYFTVQBAKKFTBN-UHFFFAOYSA-N 1 1 337.408 3.373 50 0 EGAAMO C[N@@H+](Cc1cc(-c2cccnc2)no1)Cc1ccc2nsnc2c1 ZINC000244763941 243075912 /nfs/dbraw/zinc/07/59/12/243075912.db2.gz OYFTVQBAKKFTBN-UHFFFAOYSA-N 1 1 337.408 3.373 50 0 EGAAMO OCC[C@@H]1CN(C/C=C/c2ccccc2)CC[N@H+]1C1CCCCC1 ZINC000020599881 212151124 /nfs/dbraw/zinc/15/11/24/212151124.db2.gz GOURNWIJPYCATO-TYOLEZHBSA-N 1 1 328.500 3.401 50 0 EGAAMO O=C(COc1ccc(Cl)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020522514 212143555 /nfs/dbraw/zinc/14/35/55/212143555.db2.gz BENQTJJCTKHNLX-UHFFFAOYSA-N 1 1 344.842 3.063 50 0 EGAAMO Fc1ccc(C[C@H]2C[N@H+](Cc3ccc4c(c3)CCO4)CCO2)cc1 ZINC000020513998 212142284 /nfs/dbraw/zinc/14/22/84/212142284.db2.gz FPGITSKMRLMPBO-IBGZPJMESA-N 1 1 327.399 3.204 50 0 EGAAMO Fc1ccc(C[C@H]2C[N@@H+](Cc3ccc4c(c3)CCO4)CCO2)cc1 ZINC000020513998 212142285 /nfs/dbraw/zinc/14/22/85/212142285.db2.gz FPGITSKMRLMPBO-IBGZPJMESA-N 1 1 327.399 3.204 50 0 EGAAMO COc1ccccc1/C=C/CN1CC[N@@H+](C2CCCC2)[C@@H](CCO)C1 ZINC000020236069 212113768 /nfs/dbraw/zinc/11/37/68/212113768.db2.gz QHBDWZIGYFBVLA-IEJURRBGSA-N 1 1 344.499 3.020 50 0 EGAAMO CCc1nc(C)c(CN2CCC[C@H]([N@@H+](C)CCc3ccccc3)C2)[nH]1 ZINC000019790911 212067994 /nfs/dbraw/zinc/06/79/94/212067994.db2.gz SSBBLWPLOULJMU-IBGZPJMESA-N 1 1 340.515 3.419 50 0 EGAAMO OCC[C@H]1CN(Cc2ccc(F)cc2)CC[N@@H+]1Cc1ccc(F)cc1 ZINC000019299922 212013060 /nfs/dbraw/zinc/01/30/60/212013060.db2.gz SICRMBKWPVEXKZ-FQEVSTJZSA-N 1 1 346.421 3.034 50 0 EGAAMO OCC[C@H]1CN(Cc2ccc(F)cc2)CC[N@H+]1Cc1ccc(F)cc1 ZINC000019299922 212013062 /nfs/dbraw/zinc/01/30/62/212013062.db2.gz SICRMBKWPVEXKZ-FQEVSTJZSA-N 1 1 346.421 3.034 50 0 EGAAMO OCC[C@H]1C[N@H+](Cc2ccc(F)cc2)CCN1Cc1ccc(F)cc1 ZINC000019299922 212013065 /nfs/dbraw/zinc/01/30/65/212013065.db2.gz SICRMBKWPVEXKZ-FQEVSTJZSA-N 1 1 346.421 3.034 50 0 EGAAMO OCC[C@H]1C[N@@H+](Cc2ccc(F)cc2)CCN1Cc1ccc(F)cc1 ZINC000019299922 212013068 /nfs/dbraw/zinc/01/30/68/212013068.db2.gz SICRMBKWPVEXKZ-FQEVSTJZSA-N 1 1 346.421 3.034 50 0 EGAAMO Cc1nc(CC(=O)N2CCC[C@H]([N@@H+](C)Cc3ccccc3)C2)cs1 ZINC000012454856 211386631 /nfs/dbraw/zinc/38/66/31/211386631.db2.gz XKWNFIWLGSVKRH-SFHVURJKSA-N 1 1 343.496 3.117 50 0 EGAAMO O=C(NC[C@H](c1ccc2c(c1)OCO2)[NH+]1CCCC1)c1cccs1 ZINC000012197156 211317418 /nfs/dbraw/zinc/31/74/18/211317418.db2.gz MIFHZGKFBNXPFI-CQSZACIVSA-N 1 1 344.436 3.044 50 0 EGAAMO CCN(C[C@@H]1CCC[N@@H+](CCc2cccc(F)c2)C1)C(=O)C1CC1 ZINC000012073214 211286490 /nfs/dbraw/zinc/28/64/90/211286490.db2.gz KCPHCYHSHDDPQX-QGZVFWFLSA-N 1 1 332.463 3.339 50 0 EGAAMO CCCO[C@H]1CCC[N@H+](Cc2nc(-c3ccc(OC)cc3)no2)C1 ZINC000012056802 211284052 /nfs/dbraw/zinc/28/40/52/211284052.db2.gz IATMTFVQVIZMPT-INIZCTEOSA-N 1 1 331.416 3.136 50 0 EGAAMO CCCO[C@H]1CCC[N@@H+](Cc2nc(-c3ccc(OC)cc3)no2)C1 ZINC000012056802 211284055 /nfs/dbraw/zinc/28/40/55/211284055.db2.gz IATMTFVQVIZMPT-INIZCTEOSA-N 1 1 331.416 3.136 50 0 EGAAMO O=C(N[C@H]1CCC[N@H+](Cc2ccccn2)C1)c1ccc(F)cc1Cl ZINC000011936940 211272643 /nfs/dbraw/zinc/27/26/43/211272643.db2.gz ZIYJGWUFIUNUPQ-HNNXBMFYSA-N 1 1 347.821 3.269 50 0 EGAAMO O=C(N[C@H]1CCC[N@@H+](Cc2ccccn2)C1)c1ccc(F)cc1Cl ZINC000011936940 211272646 /nfs/dbraw/zinc/27/26/46/211272646.db2.gz ZIYJGWUFIUNUPQ-HNNXBMFYSA-N 1 1 347.821 3.269 50 0 EGAAMO CC[N@@H+](CCn1cccn1)Cc1c[nH]nc1-c1ccc(F)cc1F ZINC000011935305 211271602 /nfs/dbraw/zinc/27/16/02/211271602.db2.gz PEOKDQOEBSPPNA-UHFFFAOYSA-N 1 1 331.370 3.074 50 0 EGAAMO CCc1ccccc1CN1C[C@H](CO)[C@H](C[NH+]2CCCCCC2)C1 ZINC000091526886 218017867 /nfs/dbraw/zinc/01/78/67/218017867.db2.gz MDCSBTJAMICRHT-NHCUHLMSSA-N 1 1 330.516 3.165 50 0 EGAAMO CC1(C)Cc2c(cnn2-c2ccccc2)[C@@H](Nc2cc[nH+]c(N)n2)C1 ZINC000091695472 218050433 /nfs/dbraw/zinc/05/04/33/218050433.db2.gz NNTTUWPLNCWMPK-HNNXBMFYSA-N 1 1 334.427 3.370 50 0 EGAAMO Cn1ccnc1CCC[N@@H+](C)Cc1cc(=O)c2cccc(Cl)c2[nH]1 ZINC000091713008 218052338 /nfs/dbraw/zinc/05/23/38/218052338.db2.gz IGZBCMTWIQCPEL-UHFFFAOYSA-N 1 1 344.846 3.392 50 0 EGAAMO Cc1cc(C(=O)N2C[C@H]3CC[C@@H]2C[N@H+](Cc2ccccn2)C3)c(C)o1 ZINC000091713299 218052884 /nfs/dbraw/zinc/05/28/84/218052884.db2.gz FVCJXPUAPXMSRD-FUHWJXTLSA-N 1 1 339.439 3.028 50 0 EGAAMO Cc1cc(C(=O)N2C[C@H]3CC[C@@H]2C[N@@H+](Cc2ccccn2)C3)c(C)o1 ZINC000091713299 218052887 /nfs/dbraw/zinc/05/28/87/218052887.db2.gz FVCJXPUAPXMSRD-FUHWJXTLSA-N 1 1 339.439 3.028 50 0 EGAAMO CCOC(=O)C1(C[C@H]2CCCCO2)CC[NH+](Cc2cccnc2)CC1 ZINC000011817695 211249576 /nfs/dbraw/zinc/24/95/76/211249576.db2.gz FLADMPUUDZEOME-GOSISDBHSA-N 1 1 346.471 3.186 50 0 EGAAMO O=C1NCCC[C@@]12CC[N@@H+](Cc1cccc(OC3CCCC3)c1)C2 ZINC000091781668 218065532 /nfs/dbraw/zinc/06/55/32/218065532.db2.gz QYVJEUHJNDTSGG-FQEVSTJZSA-N 1 1 328.456 3.110 50 0 EGAAMO C[N@H+]1CCCCC[C@H]1C(=O)NCc1csc(-c2ccccc2)n1 ZINC000091873287 218082286 /nfs/dbraw/zinc/08/22/86/218082286.db2.gz AZOKVFBLCDQRCJ-INIZCTEOSA-N 1 1 329.469 3.301 50 0 EGAAMO Cc1ncsc1CCN(C)C(=O)[C@H](c1cccc(C)c1)[NH+](C)C ZINC000095355517 218289682 /nfs/dbraw/zinc/28/96/82/218289682.db2.gz MSOFZOKWNLYHOZ-KRWDZBQOSA-N 1 1 331.485 3.064 50 0 EGAAMO CC(C)n1ccnc1[C@H]1CCC[N@@H+](CC(=O)N2CCCCCC2)C1 ZINC000095357918 218291333 /nfs/dbraw/zinc/29/13/33/218291333.db2.gz BIERJTLXYFKSPV-KRWDZBQOSA-N 1 1 332.492 3.046 50 0 EGAAMO Cc1ccccc1[C@@H](C(=O)NCc1cc(CC(C)C)no1)[NH+](C)C ZINC000095375697 218308665 /nfs/dbraw/zinc/30/86/65/218308665.db2.gz IEJMOAFDCIESOQ-SFHVURJKSA-N 1 1 329.444 3.101 50 0 EGAAMO C[N@H+]1CCCC[C@H]1CCC(=O)N1CC(Oc2ccccc2Cl)C1 ZINC000095389362 218321693 /nfs/dbraw/zinc/32/16/93/218321693.db2.gz SJNLBLOMFORUFO-AWEZNQCLSA-N 1 1 336.863 3.194 50 0 EGAAMO CCOc1cc(C[N@H+]2CCC[C@@H](C(=O)N(CC)CC)C2)ccc1OC ZINC000004990293 210353212 /nfs/dbraw/zinc/35/32/12/210353212.db2.gz FLWAOMRIUJJCNK-QGZVFWFLSA-N 1 1 348.487 3.174 50 0 EGAAMO Cc1cc(OC[C@@H](O)C[N@H+]2CCc3ccccc3C2)ccc1Cl ZINC000004986442 210350844 /nfs/dbraw/zinc/35/08/44/210350844.db2.gz LJPALRNNMOQAQU-KRWDZBQOSA-N 1 1 331.843 3.446 50 0 EGAAMO C[N@H+]1CCCC[C@H]1C(=O)N(Cc1ccc(F)cc1)Cc1ccccn1 ZINC000097301487 219011005 /nfs/dbraw/zinc/01/10/05/219011005.db2.gz XDTIRSPKRVOQRT-IBGZPJMESA-N 1 1 341.430 3.234 50 0 EGAAMO CN(Cc1cc(C[NH+]2CCCC2)cs1)Cc1n[nH]c2c1CCC2 ZINC000097425332 219023455 /nfs/dbraw/zinc/02/34/55/219023455.db2.gz KAQSRMLPHSVFCT-UHFFFAOYSA-N 1 1 330.501 3.188 50 0 EGAAMO Cc1ccc2nc(CNC(=O)C3([NH+]4CCCC4)CCCC3)[nH]c2c1C ZINC000299778277 258088631 /nfs/dbraw/zinc/08/86/31/258088631.db2.gz OTJIWTSKAIIOIK-UHFFFAOYSA-N 1 1 340.471 3.205 50 0 EGAAMO Cc1[nH+]ccn1CCC1CCN(C(=O)Nc2ccnn2C(C)C)CC1 ZINC000299785351 258092322 /nfs/dbraw/zinc/09/23/22/258092322.db2.gz YNLKKHUKBDWXAK-UHFFFAOYSA-N 1 1 344.463 3.303 50 0 EGAAMO Cc1[nH]nc(C2CC2)c1C(=O)N[C@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000299786786 258093716 /nfs/dbraw/zinc/09/37/16/258093716.db2.gz PMSZCAQIWJSBBG-HNNXBMFYSA-N 1 1 330.476 3.122 50 0 EGAAMO Cc1n[nH]c(C2CC2)c1C(=O)N[C@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000299786786 258093718 /nfs/dbraw/zinc/09/37/18/258093718.db2.gz PMSZCAQIWJSBBG-HNNXBMFYSA-N 1 1 330.476 3.122 50 0 EGAAMO Cc1n[nH]c(C2CC2)c1C(=O)N[C@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000299786786 258093720 /nfs/dbraw/zinc/09/37/20/258093720.db2.gz PMSZCAQIWJSBBG-HNNXBMFYSA-N 1 1 330.476 3.122 50 0 EGAAMO CO[C@H]1CC[C@@]2(OC)CC[N@@H+](Cc3c[nH]nc3-c3ccccc3)[C@H]2C1 ZINC000299793605 258098906 /nfs/dbraw/zinc/09/89/06/258098906.db2.gz HJPIXCNLORLVKI-CMKODMSKSA-N 1 1 341.455 3.235 50 0 EGAAMO CO[C@]12CC[N@@H+](Cc3ccccc3-c3ccco3)[C@H]1C[C@@H](O)CC2 ZINC000299798832 258102452 /nfs/dbraw/zinc/10/24/52/258102452.db2.gz RPDCISPFLGBQCQ-FFZOFVMBSA-N 1 1 327.424 3.451 50 0 EGAAMO Cc1ccc2c(c1)[C@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)c1ccn(C(F)F)n1 ZINC000006788968 281128078 /nfs/dbraw/zinc/12/80/78/281128078.db2.gz SPBUKKYCEGEMTD-CJNGLKHVSA-N 1 1 346.381 3.035 50 0 EGAAMO COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)C[N@H+]1CCCC[C@@H]1C ZINC000000507499 452610529 /nfs/dbraw/zinc/61/05/29/452610529.db2.gz JTKWBRIFJKXQPK-ZDUSSCGKSA-N 1 1 343.427 3.076 50 0 EGAAMO O=C(NC1CC1)c1cc(C[NH+]2CCC(Cc3ccccc3)CC2)on1 ZINC000012703757 453393569 /nfs/dbraw/zinc/39/35/69/453393569.db2.gz MJZWTEZYECNCAG-UHFFFAOYSA-N 1 1 339.439 3.022 50 0 EGAAMO COC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)C[NH+](C)C ZINC000013323351 453458388 /nfs/dbraw/zinc/45/83/88/453458388.db2.gz GTERYFMLNGJGDX-UHFFFAOYSA-N 1 1 332.425 3.010 50 0 EGAAMO Cc1nn(C)cc1C[N@H+]1CCC[C@@H](C(=O)c2ccc(Cl)cc2)C1 ZINC000015077045 453554459 /nfs/dbraw/zinc/55/44/59/453554459.db2.gz NXVHVQDLIZFEKJ-OAHLLOKOSA-N 1 1 331.847 3.477 50 0 EGAAMO C[C@@H]1C[N@@H+](CCOCCOc2ccc(Cl)c(Cl)c2)C[C@H](C)O1 ZINC000016247386 453599058 /nfs/dbraw/zinc/59/90/58/453599058.db2.gz MJSCPZDUVFNVSC-BETUJISGSA-N 1 1 348.270 3.498 50 0 EGAAMO C[C@@H]1C[N@H+](CCOCCOc2ccc(Cl)c(Cl)c2)C[C@H](C)O1 ZINC000016247386 453599061 /nfs/dbraw/zinc/59/90/61/453599061.db2.gz MJSCPZDUVFNVSC-BETUJISGSA-N 1 1 348.270 3.498 50 0 EGAAMO CC[NH+]1CCN(C2(CNC(=O)c3cccc(C)c3)CCCCC2)CC1 ZINC000028292925 453822923 /nfs/dbraw/zinc/82/29/23/453822923.db2.gz FOFKMEAVHJXZDV-UHFFFAOYSA-N 1 1 343.515 3.065 50 0 EGAAMO CC[NH+]1CCN(C2(CNC(=O)c3ccc(C)cc3)CCCCC2)CC1 ZINC000028293541 453822932 /nfs/dbraw/zinc/82/29/32/453822932.db2.gz JYRIPMXRMMSSOW-UHFFFAOYSA-N 1 1 343.515 3.065 50 0 EGAAMO CCn1cc(C[NH2+]Cc2cccnc2N2CCCCCCC2)cn1 ZINC000042496510 454011540 /nfs/dbraw/zinc/01/15/40/454011540.db2.gz BQGPIWPVEUEINZ-UHFFFAOYSA-N 1 1 327.476 3.358 50 0 EGAAMO Cc1ccc(C[N@@H+]2CCCN(Cc3nc(C(C)C)no3)CC2)cc1 ZINC000042598379 454015463 /nfs/dbraw/zinc/01/54/63/454015463.db2.gz HENKYCBEXNRWGV-UHFFFAOYSA-N 1 1 328.460 3.209 50 0 EGAAMO CCc1c[nH]nc1[C@@H]1CCC[N@@H+](Cc2cc3c(c(OC)c2)OCO3)C1 ZINC000077337883 454093215 /nfs/dbraw/zinc/09/32/15/454093215.db2.gz PBFHLHXEZNIFCE-OAHLLOKOSA-N 1 1 343.427 3.089 50 0 EGAAMO Cc1[nH+]ccn1CCC(=O)N1CCC[C@@H](COc2ccc(F)cc2)C1 ZINC000077357284 454096877 /nfs/dbraw/zinc/09/68/77/454096877.db2.gz NZIRHHAFCCROLF-MRXNPFEDSA-N 1 1 345.418 3.038 50 0 EGAAMO c1cnn(CC[C@@H]2CCCC[N@H+]2Cc2ccc(-c3cc[nH]n3)o2)c1 ZINC000077377096 454099548 /nfs/dbraw/zinc/09/95/48/454099548.db2.gz HHOUCPNQGYCNTQ-HNNXBMFYSA-N 1 1 325.416 3.311 50 0 EGAAMO Cn1c(C[N@H+]2CCCC[C@H]2CCN2CCOCC2)cc2ccccc21 ZINC000077407817 454102358 /nfs/dbraw/zinc/10/23/58/454102358.db2.gz KCWMCZHZOKYPOG-IBGZPJMESA-N 1 1 341.499 3.255 50 0 EGAAMO Cn1ccnc1CC[C@H]1CCCC[N@H+]1Cc1ccc(-c2cc[nH]n2)o1 ZINC000077419887 454104471 /nfs/dbraw/zinc/10/44/71/454104471.db2.gz MVAKLXDBSXWMHZ-OAHLLOKOSA-N 1 1 339.443 3.391 50 0 EGAAMO CCOc1cccc(C[N@H+]2CCC[C@]3(CCC(=O)N(C4CC4)C3)C2)c1 ZINC000077438611 454106164 /nfs/dbraw/zinc/10/61/64/454106164.db2.gz CRPCCTYACWIBKN-NRFANRHFSA-N 1 1 342.483 3.452 50 0 EGAAMO CC[N@H+](Cc1cccc(-c2ccc(C)o2)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000077453230 454107801 /nfs/dbraw/zinc/10/78/01/454107801.db2.gz SKPQJBBMIFTFAQ-QGZVFWFLSA-N 1 1 333.453 3.264 50 0 EGAAMO CC[N@@H+](Cc1cccc(-c2ccc(C)o2)c1)[C@@H]1CCS(=O)(=O)C1 ZINC000077453230 454107803 /nfs/dbraw/zinc/10/78/03/454107803.db2.gz SKPQJBBMIFTFAQ-QGZVFWFLSA-N 1 1 333.453 3.264 50 0 EGAAMO O=C(C[C@@H]1CCc2ccccc21)N1CCC[N@H+](Cc2ccncc2)CC1 ZINC000077452390 454107809 /nfs/dbraw/zinc/10/78/09/454107809.db2.gz LZJDPPVOPUBENK-FQEVSTJZSA-N 1 1 349.478 3.236 50 0 EGAAMO O=C(C[C@@H]1CCc2ccccc21)N1CCC[N@@H+](Cc2ccncc2)CC1 ZINC000077452390 454107810 /nfs/dbraw/zinc/10/78/10/454107810.db2.gz LZJDPPVOPUBENK-FQEVSTJZSA-N 1 1 349.478 3.236 50 0 EGAAMO C[N@H+]1CCCC[C@H]1CCC(=O)NCc1cccc(N2CCCC2)c1 ZINC000095377720 454199338 /nfs/dbraw/zinc/19/93/38/454199338.db2.gz FLLMMIWNSZPZMU-SFHVURJKSA-N 1 1 329.488 3.168 50 0 EGAAMO Cc1ccc(C[N@H+]2CC[C@H](CNC(=O)c3ccco3)C2)c(C)c1F ZINC000071278572 454204052 /nfs/dbraw/zinc/20/40/52/454204052.db2.gz ICCWKIKRMVWHBQ-OAHLLOKOSA-N 1 1 330.403 3.287 50 0 EGAAMO c1cc(CN2CCOCC2)cc(C[N@H+]2C[C@H]3[C@@H](C2)C2CCC3CC2)c1 ZINC000071749146 454213592 /nfs/dbraw/zinc/21/35/92/454213592.db2.gz XWINMMLGPFXKGJ-JQBYJRRVSA-N 1 1 340.511 3.387 50 0 EGAAMO c1cc(C[N@H+]2CCCN(c3nccc(C4CCCC4)n3)CC2)ccn1 ZINC000071771561 454216422 /nfs/dbraw/zinc/21/64/22/454216422.db2.gz AKWOCAFEDUVTAX-UHFFFAOYSA-N 1 1 337.471 3.242 50 0 EGAAMO Clc1ccc2nc(N3CCC([NH2+]Cc4ccn[nH]4)CC3)sc2c1 ZINC000095520043 454226643 /nfs/dbraw/zinc/22/66/43/454226643.db2.gz ARLWMNWKEAETNX-UHFFFAOYSA-N 1 1 347.875 3.431 50 0 EGAAMO O=C(NCCSc1ccccc1)[C@@H]1CCC[N@@H+](Cc2ccco2)C1 ZINC000095525988 454227320 /nfs/dbraw/zinc/22/73/20/454227320.db2.gz GAKDTAWQCGMMMS-MRXNPFEDSA-N 1 1 344.480 3.400 50 0 EGAAMO O=C(NCCSc1ccccc1)[C@H]1CCC[N@@H+](Cc2ccco2)C1 ZINC000095525989 454228025 /nfs/dbraw/zinc/22/80/25/454228025.db2.gz GAKDTAWQCGMMMS-INIZCTEOSA-N 1 1 344.480 3.400 50 0 EGAAMO c1csc(C[N@@H+]2C[C@H](c3ccccc3)[C@@H]3[C@H]2C2CCN3CC2)n1 ZINC000072143550 454273105 /nfs/dbraw/zinc/27/31/05/454273105.db2.gz GHQIDVCBNYRACR-BHIYHBOVSA-N 1 1 325.481 3.205 50 0 EGAAMO c1csc(C[N@H+]2C[C@H](c3ccccc3)[C@@H]3[C@H]2C2CCN3CC2)n1 ZINC000072143550 454273108 /nfs/dbraw/zinc/27/31/08/454273108.db2.gz GHQIDVCBNYRACR-BHIYHBOVSA-N 1 1 325.481 3.205 50 0 EGAAMO CC[N@@H+](C)C[C@@H]1CN(Cc2ccc(-c3ccccc3F)o2)C[C@@H]1CO ZINC000091306080 454425061 /nfs/dbraw/zinc/42/50/61/454425061.db2.gz CBBIZKBUGGZZKV-HZPDHXFCSA-N 1 1 346.446 3.078 50 0 EGAAMO C[N@H+]1CCCCC[C@H]1C(=O)NCc1ccc(C(F)(F)F)cc1F ZINC000097776205 454446800 /nfs/dbraw/zinc/44/68/00/454446800.db2.gz FAGBCSXPHFJACF-AWEZNQCLSA-N 1 1 332.341 3.335 50 0 EGAAMO CCCn1ncc(C(=O)NCc2ccccc2-n2cc[nH+]c2C)c1C ZINC000065453770 454569306 /nfs/dbraw/zinc/56/93/06/454569306.db2.gz REFCCNJGVOQNSO-UHFFFAOYSA-N 1 1 337.427 3.026 50 0 EGAAMO CC[C@@H](O)C[N@@H+]1CC=C(c2cnn(Cc3cccc(C)c3)c2)CC1 ZINC000065492441 454576948 /nfs/dbraw/zinc/57/69/48/454576948.db2.gz NKTZQUPCBHLQLN-HXUWFJFHSA-N 1 1 325.456 3.100 50 0 EGAAMO Cc1nc(C)c(C[N@@H+]2CCCN(C(=O)c3ccsc3)CC2)s1 ZINC000172758049 455183577 /nfs/dbraw/zinc/18/35/77/455183577.db2.gz KSTXAJKNRABLRC-UHFFFAOYSA-N 1 1 335.498 3.170 50 0 EGAAMO Cc1nc(C)c(C[N@H+]2CCCN(C(=O)c3ccsc3)CC2)s1 ZINC000172758049 455183580 /nfs/dbraw/zinc/18/35/80/455183580.db2.gz KSTXAJKNRABLRC-UHFFFAOYSA-N 1 1 335.498 3.170 50 0 EGAAMO CC[C@@H](C(=O)Nc1ccccc1)[N@H+](CCO)Cc1ccc(C)s1 ZINC000252488548 455810831 /nfs/dbraw/zinc/81/08/31/455810831.db2.gz IUPBKMMMKGLPBR-KRWDZBQOSA-N 1 1 332.469 3.268 50 0 EGAAMO CC[C@@H](C(=O)Nc1ccccc1)[N@@H+](CCO)Cc1ccc(C)s1 ZINC000252488548 455810838 /nfs/dbraw/zinc/81/08/38/455810838.db2.gz IUPBKMMMKGLPBR-KRWDZBQOSA-N 1 1 332.469 3.268 50 0 EGAAMO Cc1nn(CCO)c(C)c1C[N@H+]1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000215937970 456026628 /nfs/dbraw/zinc/02/66/28/456026628.db2.gz LCQNQJDZCGEHDL-MRXNPFEDSA-N 1 1 333.863 3.135 50 0 EGAAMO Cc1ccc2ncccc2c1C[N@H+]1CCNC(=O)[C@H]1Cc1ccccc1 ZINC000215800867 456026727 /nfs/dbraw/zinc/02/67/27/456026727.db2.gz VUEDJGKKFNQFDP-OAQYLSRUSA-N 1 1 345.446 3.086 50 0 EGAAMO c1ccc(N2CC[NH+](Cc3cccnc3N3CCCCC3)CC2)cc1 ZINC000221272177 456041849 /nfs/dbraw/zinc/04/18/49/456041849.db2.gz YHJBDBRFPLARAJ-UHFFFAOYSA-N 1 1 336.483 3.394 50 0 EGAAMO Cc1nc(C)c(C(=O)NC[C@@H](c2ccc(F)cc2)[NH+]2CCCCC2)o1 ZINC000299773829 456780921 /nfs/dbraw/zinc/78/09/21/456780921.db2.gz GCCLYRMOMUOTRF-KRWDZBQOSA-N 1 1 345.418 3.388 50 0 EGAAMO CC[C@@H](NC(=O)c1cccc(-c2ccc(C)[nH+]c2N)c1)c1ccnn1C ZINC000426615565 457863430 /nfs/dbraw/zinc/86/34/30/457863430.db2.gz PVRKERPZVPXOCY-QGZVFWFLSA-N 1 1 349.438 3.254 50 0 EGAAMO O=C(CC[N@@H+]1CC=C(c2ccc(F)cc2)CC1)Nc1cccnc1 ZINC000358279389 457905921 /nfs/dbraw/zinc/90/59/21/457905921.db2.gz SZRXPJHVQSXMKN-UHFFFAOYSA-N 1 1 325.387 3.339 50 0 EGAAMO O=C(Nc1ccc(F)cc1)N1CCC[N@H+](C2CCSCC2)CC1 ZINC000575617867 459986870 /nfs/dbraw/zinc/98/68/70/459986870.db2.gz SCJIJLQMSUYGFO-UHFFFAOYSA-N 1 1 337.464 3.261 50 0 EGAAMO O=C(NCCCc1ccccn1)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000178567958 534851484 /nfs/dbraw/zinc/85/14/84/534851484.db2.gz VLTCISGDUPQWEV-FQEVSTJZSA-N 1 1 337.467 3.185 50 0 EGAAMO Cc1nnc(C[NH+]2CCC(c3nc4cc(F)ccc4[nH]3)CC2)s1 ZINC000670468550 548220639 /nfs/dbraw/zinc/22/06/39/548220639.db2.gz ZZSPZSPLHJXCTC-UHFFFAOYSA-N 1 1 331.420 3.242 50 0 EGAAMO C[C@@H](CCn1cccn1)[NH2+]CCCc1nc2ccc(Cl)cc2[nH]1 ZINC000584884786 564131439 /nfs/dbraw/zinc/13/14/39/564131439.db2.gz BAIWOOBWCQWLOR-ZDUSSCGKSA-N 1 1 331.851 3.414 50 0 EGAAMO Cc1ccccc1-c1cnnc(N(C)C[C@H]2CC[N@H+](CC(C)C)C2)n1 ZINC000012581973 1291133168 /nfs/dbraw/zinc/13/31/68/1291133168.db2.gz ORCGJGXYEVOVGM-QGZVFWFLSA-N 1 1 339.487 3.261 50 0 EGAAMO COc1ccc(N[C@H]2CCC[N@@H+](Cc3cnc(N(C)C)s3)C2)cc1 ZINC000015066608 1291146130 /nfs/dbraw/zinc/14/61/30/1291146130.db2.gz ZJNDRQJBERZKEF-HNNXBMFYSA-N 1 1 346.500 3.294 50 0 EGAAMO Fc1ccc(N2CCC([N@@H+]3CCC[C@@H](N4CCCC4)C3)CC2)cc1 ZINC000022851668 1291226227 /nfs/dbraw/zinc/22/62/27/1291226227.db2.gz YJVOZTFNKNDSMP-HXUWFJFHSA-N 1 1 331.479 3.355 50 0 EGAAMO Fc1ccc(N2CCC([N@H+]3CCC[C@@H](N4CCCC4)C3)CC2)cc1 ZINC000022851668 1291226233 /nfs/dbraw/zinc/22/62/33/1291226233.db2.gz YJVOZTFNKNDSMP-HXUWFJFHSA-N 1 1 331.479 3.355 50 0 EGAAMO C[N@@H+]1CCN(Cc2nc(Cc3ccccc3)no2)C[C@H]1c1ccccc1 ZINC000036385581 1291397094 /nfs/dbraw/zinc/39/70/94/1291397094.db2.gz CBMJICGDXOSGLS-IBGZPJMESA-N 1 1 348.450 3.149 50 0 EGAAMO C[N@H+]1CCN(Cc2nc(Cc3ccccc3)no2)C[C@H]1c1ccccc1 ZINC000036385581 1291397103 /nfs/dbraw/zinc/39/71/03/1291397103.db2.gz CBMJICGDXOSGLS-IBGZPJMESA-N 1 1 348.450 3.149 50 0 EGAAMO CN1CCC([N@H+](Cc2cccnc2)Cc2cccc3nccnc23)CC1 ZINC000072148612 1292275884 /nfs/dbraw/zinc/27/58/84/1292275884.db2.gz XWYUEQMKCTWITP-UHFFFAOYSA-N 1 1 347.466 3.121 50 0 EGAAMO CN1CCC([N@@H+](Cc2cccnc2)Cc2cccc3nccnc23)CC1 ZINC000072148612 1292275890 /nfs/dbraw/zinc/27/58/90/1292275890.db2.gz XWYUEQMKCTWITP-UHFFFAOYSA-N 1 1 347.466 3.121 50 0 EGAAMO CC(C)c1csc(C[N@@H+]2CC[C@@](O)(C3CCOCC3)[C@H](C)C2)n1 ZINC000091620305 1292837898 /nfs/dbraw/zinc/83/78/98/1292837898.db2.gz ZZDASQDEHRMANS-KDOFPFPSSA-N 1 1 338.517 3.266 50 0 EGAAMO CC(C)c1csc(C[N@H+]2CC[C@@](O)(C3CCOCC3)[C@H](C)C2)n1 ZINC000091620305 1292837911 /nfs/dbraw/zinc/83/79/11/1292837911.db2.gz ZZDASQDEHRMANS-KDOFPFPSSA-N 1 1 338.517 3.266 50 0 EGAAMO CC(C)Cc1nc(-c2cc(-c3cccn3C)[nH]n2)n(-c2cc[nH+]cc2)n1 ZINC000821477641 1320016168 /nfs/dbraw/zinc/01/61/68/1320016168.db2.gz XZDQPAGOTYHGGK-UHFFFAOYSA-N 1 1 347.426 3.256 50 0 EGAAMO C[N@@H+]1CCCCC[C@@H]1C(=O)N(Cc1ccccc1)CC(F)(F)F ZINC000952869927 1334584122 /nfs/dbraw/zinc/58/41/22/1334584122.db2.gz PMIVVWIAGGUTTB-OAHLLOKOSA-N 1 1 328.378 3.452 50 0 EGAAMO C[N@H+]1CCCCC[C@@H]1C(=O)N(Cc1ccccc1)CC(F)(F)F ZINC000952869927 1334584127 /nfs/dbraw/zinc/58/41/27/1334584127.db2.gz PMIVVWIAGGUTTB-OAHLLOKOSA-N 1 1 328.378 3.452 50 0 EGAAMO CSc1ncc(C[NH2+]Cc2cnc(C3CCCCC3)nc2)n1C ZINC000952983176 1334630072 /nfs/dbraw/zinc/63/00/72/1334630072.db2.gz SUBIMSZWAKNZIV-UHFFFAOYSA-N 1 1 331.489 3.270 50 0 EGAAMO CC[N@H+]1CCC[C@H]1C(=O)NCCSCc1cccc(Cl)c1 ZINC000952988657 1334631278 /nfs/dbraw/zinc/63/12/78/1334631278.db2.gz KAHLUYQUARRQKU-HNNXBMFYSA-N 1 1 326.893 3.174 50 0 EGAAMO Cc1ncc(Cl)c(NC[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)n1 ZINC001772711314 1441417276 /nfs/dbraw/zinc/41/72/76/1441417276.db2.gz BBBKCVCKGDQMDC-MRXNPFEDSA-N 1 1 346.862 3.141 50 0 EGAAMO CCC[N@H+]1C[C@H]2CN(c3noc(C)n3)C[C@]2(CCc2ccccc2)C1 ZINC001772810829 1441417578 /nfs/dbraw/zinc/41/75/78/1441417578.db2.gz NXRVVVPBPJMBEC-ICSRJNTNSA-N 1 1 340.471 3.159 50 0 EGAAMO C[NH+](C)Cc1ccc(C(=O)NCc2cc(F)ccc2C(F)(F)F)o1 ZINC000097632044 219042903 /nfs/dbraw/zinc/04/29/03/219042903.db2.gz ZOCJTWILJNUDTM-UHFFFAOYSA-N 1 1 344.308 3.429 50 0 EGAAMO Cc1ccc(SCC[N@H+](C)Cc2ccccc2OCC(N)=O)cc1 ZINC000055036041 214265999 /nfs/dbraw/zinc/26/59/99/214265999.db2.gz TYVLNXXAXLOUPR-UHFFFAOYSA-N 1 1 344.480 3.083 50 0 EGAAMO CC[C@H](CO)N(Cc1ccccc1C)C(=O)c1ccc(C[NH+](C)C)o1 ZINC000055359594 214312031 /nfs/dbraw/zinc/31/20/31/214312031.db2.gz DBHVAJWAWVJDDD-QGZVFWFLSA-N 1 1 344.455 3.063 50 0 EGAAMO CC[C@@H](C)[N@@H+](Cc1ccsc1)Cc1cccc(OCC(N)=O)c1 ZINC000055343953 214310353 /nfs/dbraw/zinc/31/03/53/214310353.db2.gz WBXKLKQPWNFIID-CQSZACIVSA-N 1 1 332.469 3.413 50 0 EGAAMO COc1cc2c(cc1OC)[C@H]1[N@@H+](CC[C@@]1(O)c1ccc(F)cc1)CC2 ZINC000004089744 210117462 /nfs/dbraw/zinc/11/74/62/210117462.db2.gz CHVNLMGGTMLHNX-WOJBJXKFSA-N 1 1 343.398 3.034 50 0 biogenic EGAAMO Cc1cc2nc(C[N@@H+]3CCCC[C@@H]3c3cccc(F)c3)cc(=O)n2[n-]1 ZINC000101788167 219164781 /nfs/dbraw/zinc/16/47/81/219164781.db2.gz WNJPYLQKGVLCLU-QGZVFWFLSA-N 1 1 340.402 3.197 50 0 EGAAMO CC(C)c1[nH+]ccn1[C@H](C)C(=O)N(C)Cc1[nH]nc2c1CCCCC2 ZINC000067588733 215165485 /nfs/dbraw/zinc/16/54/85/215165485.db2.gz MHKORKBSZWJDBF-CQSZACIVSA-N 1 1 343.475 3.218 50 0 EGAAMO COc1ccc2[nH]c(=O)c(C[N@@H+](Cc3cccnc3)C3CC3)cc2c1 ZINC000067650278 215174411 /nfs/dbraw/zinc/17/44/11/215174411.db2.gz QRGXFIJBYMZEPL-UHFFFAOYSA-N 1 1 335.407 3.096 50 0 EGAAMO OCCC[N@H+]1CCc2[nH]nc(-c3ccc(-c4ccccc4)cc3)c2C1 ZINC000067689245 215185636 /nfs/dbraw/zinc/18/56/36/215185636.db2.gz WANDVZNGKVLZFP-UHFFFAOYSA-N 1 1 333.435 3.484 50 0 EGAAMO CCc1ccccc1C(=O)NC[C@H]1CCC[N@@H+](Cc2ccncc2)C1 ZINC000067754399 215202581 /nfs/dbraw/zinc/20/25/81/215202581.db2.gz IOPPPANRWJGEOB-GOSISDBHSA-N 1 1 337.467 3.286 50 0 EGAAMO CN(C)c1nc(Cl)c(-c2nccn2CC[C@@H]2CCC[N@H+]2C)s1 ZINC000067740228 215199573 /nfs/dbraw/zinc/19/95/73/215199573.db2.gz QONBFNJQULUXCG-NSHDSACASA-N 1 1 339.896 3.210 50 0 EGAAMO Cc1ccc(C(=O)NC[C@H]2CC[N@@H+](Cc3cccnc3)C2)cc1Cl ZINC000067880007 215239045 /nfs/dbraw/zinc/23/90/45/215239045.db2.gz CIOGEFHPRSHBCK-MRXNPFEDSA-N 1 1 343.858 3.295 50 0 EGAAMO CS(=O)(=O)c1ccc(C[N@@H+]2CCC[C@@H](c3ccccc3)C2)cc1 ZINC000067935473 215254914 /nfs/dbraw/zinc/25/49/14/215254914.db2.gz CBOQKTDKCCOPQP-GOSISDBHSA-N 1 1 329.465 3.470 50 0 EGAAMO CS(=O)(=O)c1ccc(C[N@H+]2CCC[C@@H](c3ccccc3)C2)cc1 ZINC000067935473 215254919 /nfs/dbraw/zinc/25/49/19/215254919.db2.gz CBOQKTDKCCOPQP-GOSISDBHSA-N 1 1 329.465 3.470 50 0 EGAAMO COc1cc(NC(=O)CC[N@@H+](C)Cc2ccccc2)cc(OC)c1 ZINC000002784431 209913182 /nfs/dbraw/zinc/91/31/82/209913182.db2.gz JSXRROFNABBWKR-UHFFFAOYSA-N 1 1 328.412 3.164 50 0 EGAAMO CSc1cccc(CN2CC[N@@H+](CCC(C)C)[C@H](CCO)C2)c1 ZINC000104396836 219383714 /nfs/dbraw/zinc/38/37/14/219383714.db2.gz BOWVWOHQROBXPE-GOSISDBHSA-N 1 1 336.545 3.323 50 0 EGAAMO Cc1ccc(CN2CC[N@@H+](CCCc3ccccc3)[C@H](CCO)C2)o1 ZINC000039394360 213236402 /nfs/dbraw/zinc/23/64/02/213236402.db2.gz AUVQFHKTLBAHMD-HXUWFJFHSA-N 1 1 342.483 3.089 50 0 EGAAMO O=C(C[N@@H+]1CCc2ccccc2C1)N1CCc2[nH]c3ccccc3c2C1 ZINC000036368066 213092146 /nfs/dbraw/zinc/09/21/46/213092146.db2.gz ACPVSAMQFPYNOK-UHFFFAOYSA-N 1 1 345.446 3.111 50 0 biogenic EGAAMO O=C(C[N@H+]1CCc2ccccc2C1)N1CCc2[nH]c3ccccc3c2C1 ZINC000036368066 213092149 /nfs/dbraw/zinc/09/21/49/213092149.db2.gz ACPVSAMQFPYNOK-UHFFFAOYSA-N 1 1 345.446 3.111 50 0 biogenic EGAAMO Cc1nccn1C[C@@H]1CCC[N@@H+](Cc2cc3c(cc2Cl)OCO3)C1 ZINC000072135609 216024853 /nfs/dbraw/zinc/02/48/53/216024853.db2.gz AJXRWAXTEROYTB-CQSZACIVSA-N 1 1 347.846 3.486 50 0 EGAAMO CSc1cccc(C[N@H+]2CCC[C@@H](c3cc(=O)[nH]c(C)n3)C2)c1 ZINC000072150778 216038935 /nfs/dbraw/zinc/03/89/35/216038935.db2.gz JIQVSACUNBPJFI-OAHLLOKOSA-N 1 1 329.469 3.180 50 0 EGAAMO COCCC[N@H+](Cc1cccc(Cl)c1F)C1CCN(C)CC1 ZINC000072152774 216040815 /nfs/dbraw/zinc/04/08/15/216040815.db2.gz NENQVWFPIHZOLP-UHFFFAOYSA-N 1 1 328.859 3.412 50 0 EGAAMO COCCC[N@@H+](Cc1cccc(Cl)c1F)C1CCN(C)CC1 ZINC000072152774 216040817 /nfs/dbraw/zinc/04/08/17/216040817.db2.gz NENQVWFPIHZOLP-UHFFFAOYSA-N 1 1 328.859 3.412 50 0 EGAAMO CN1c2ccccc2[C@]2(CCC[N@@H+](CCCc3cccnc3)C2)C1=O ZINC000072170035 216060659 /nfs/dbraw/zinc/06/06/59/216060659.db2.gz NTVGQCWWRYCPCL-OAQYLSRUSA-N 1 1 335.451 3.024 50 0 EGAAMO C[N@@H+]1CC[C@@]2(C1)CCCN(Cc1ccc(CCC(C)(C)O)cc1)C2 ZINC000072473514 216250386 /nfs/dbraw/zinc/25/03/86/216250386.db2.gz BRDVZPMZXMVLOE-OAQYLSRUSA-N 1 1 330.516 3.308 50 0 EGAAMO C[N@H+]1CC[C@@]2(C1)CCCN(Cc1ccc(CCC(C)(C)O)cc1)C2 ZINC000072473514 216250389 /nfs/dbraw/zinc/25/03/89/216250389.db2.gz BRDVZPMZXMVLOE-OAQYLSRUSA-N 1 1 330.516 3.308 50 0 EGAAMO CN1CC[C@@]2(C1)CCC[N@H+](Cc1ccc(CCC(C)(C)O)cc1)C2 ZINC000072473514 216250392 /nfs/dbraw/zinc/25/03/92/216250392.db2.gz BRDVZPMZXMVLOE-OAQYLSRUSA-N 1 1 330.516 3.308 50 0 EGAAMO CN1CC[C@@]2(C1)CCC[N@@H+](Cc1ccc(CCC(C)(C)O)cc1)C2 ZINC000072473514 216250395 /nfs/dbraw/zinc/25/03/95/216250395.db2.gz BRDVZPMZXMVLOE-OAQYLSRUSA-N 1 1 330.516 3.308 50 0 EGAAMO Cc1ccc(Sc2ccc(C[N@@H+]3CCC[C@@](O)(CO)C3)o2)cc1 ZINC000072478742 216256285 /nfs/dbraw/zinc/25/62/85/216256285.db2.gz FLQGBSTUGZDDCB-SFHVURJKSA-N 1 1 333.453 3.058 50 0 EGAAMO Cc1ccc(Sc2ccc(C[N@H+]3CCC[C@@](O)(CO)C3)o2)cc1 ZINC000072478742 216256287 /nfs/dbraw/zinc/25/62/87/216256287.db2.gz FLQGBSTUGZDDCB-SFHVURJKSA-N 1 1 333.453 3.058 50 0 EGAAMO CC(C)c1csc(C[NH2+][C@@H]2CC(=O)N(Cc3cccc(F)c3)C2)n1 ZINC000023505191 212379984 /nfs/dbraw/zinc/37/99/84/212379984.db2.gz CIFAMWCFTUSXRR-OAHLLOKOSA-N 1 1 347.459 3.296 50 0 EGAAMO Cc1nn(C)c(Cl)c1CN1CCC[C@@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000023361127 212370196 /nfs/dbraw/zinc/37/01/96/212370196.db2.gz VBHZXNYDJLDQAF-QGZVFWFLSA-N 1 1 346.906 3.478 50 0 EGAAMO CCn1nc(C)c(C[N@@H+]2CCCOc3c(cccc3OC)C2)c1C ZINC000215682304 241139180 /nfs/dbraw/zinc/13/91/80/241139180.db2.gz AZBLOOWHGYIZMG-UHFFFAOYSA-N 1 1 329.444 3.313 50 0 EGAAMO CCn1nc(C)c(C[N@H+]2CCCOc3c(cccc3OC)C2)c1C ZINC000215682304 241139188 /nfs/dbraw/zinc/13/91/88/241139188.db2.gz AZBLOOWHGYIZMG-UHFFFAOYSA-N 1 1 329.444 3.313 50 0 EGAAMO c1cc([C@@H]2CCCO2)sc1C[N@H+]1CCCN(c2ncccn2)CC1 ZINC000216508313 241199312 /nfs/dbraw/zinc/19/93/12/241199312.db2.gz CFUHEGPZWTVXGN-INIZCTEOSA-N 1 1 344.484 3.102 50 0 EGAAMO COc1ccc2[nH]c(C[N@H+]3CCC[C@H](c4nnc(C)[nH]4)C3)c(C)c2c1 ZINC000215496783 241129573 /nfs/dbraw/zinc/12/95/73/241129573.db2.gz BYOLXHLZKGISIA-AWEZNQCLSA-N 1 1 339.443 3.291 50 0 EGAAMO COc1ccc2[nH]c(C[N@@H+]3CCC[C@H](c4nc(C)n[nH]4)C3)c(C)c2c1 ZINC000215496783 241129577 /nfs/dbraw/zinc/12/95/77/241129577.db2.gz BYOLXHLZKGISIA-AWEZNQCLSA-N 1 1 339.443 3.291 50 0 EGAAMO COc1ccc2[nH]c(C[N@H+]3CCC[C@H](c4nc(C)n[nH]4)C3)c(C)c2c1 ZINC000215496783 241129582 /nfs/dbraw/zinc/12/95/82/241129582.db2.gz BYOLXHLZKGISIA-AWEZNQCLSA-N 1 1 339.443 3.291 50 0 EGAAMO COc1ccc2[nH]c(C[N@@H+]3CCC[C@H](c4n[nH]c(C)n4)C3)c(C)c2c1 ZINC000215496783 241129587 /nfs/dbraw/zinc/12/95/87/241129587.db2.gz BYOLXHLZKGISIA-AWEZNQCLSA-N 1 1 339.443 3.291 50 0 EGAAMO COc1ccc2[nH]c(C[N@H+]3CCC[C@H](c4n[nH]c(C)n4)C3)c(C)c2c1 ZINC000215496783 241129589 /nfs/dbraw/zinc/12/95/89/241129589.db2.gz BYOLXHLZKGISIA-AWEZNQCLSA-N 1 1 339.443 3.291 50 0 EGAAMO C[NH+]1CCN(Cc2ccccc2C(=O)c2ccc(Cl)cc2F)CC1 ZINC000022028237 212272999 /nfs/dbraw/zinc/27/29/99/212272999.db2.gz RLVSCAYNECOQSB-UHFFFAOYSA-N 1 1 346.833 3.458 50 0 EGAAMO C[C@H]1CC(C)(C)N(C)c2ccc(C(=S)N3CC[NH+](C)CC3)cc21 ZINC000226854932 242117705 /nfs/dbraw/zinc/11/77/05/242117705.db2.gz ALVKBFQJSMMOTI-AWEZNQCLSA-N 1 1 331.529 3.332 50 0 EGAAMO C[C@@H]1CCCC[N@H+]1C1CN(Cc2nn(C)c3cccc(Cl)c23)C1 ZINC000243893817 243030103 /nfs/dbraw/zinc/03/01/03/243030103.db2.gz AUOFIINTDPBJFJ-CYBMUJFWSA-N 1 1 332.879 3.285 50 0 EGAAMO CCC(CC)C[N@H+]1CCN(Cc2cccc(OC)c2)[C@@H](CCO)C1 ZINC000020784769 212171575 /nfs/dbraw/zinc/17/15/75/212171575.db2.gz CFJIUTNGJIBCIZ-IBGZPJMESA-N 1 1 334.504 3.000 50 0 EGAAMO Cc1c(Cl)cccc1NC(=O)CCN1CC[C@@H]2CC[C@H](C1)[N@H+]2C ZINC000244872836 243089358 /nfs/dbraw/zinc/08/93/58/243089358.db2.gz WFHUWSJWRAQUKT-LSDHHAIUSA-N 1 1 335.879 3.146 50 0 EGAAMO CCOc1ccccc1C[N@H+](Cc1cc(=O)c(OC)c[nH]1)C1CC1 ZINC000244742001 243072209 /nfs/dbraw/zinc/07/22/09/243072209.db2.gz OAIJTPPZTIVYGY-UHFFFAOYSA-N 1 1 328.412 3.359 50 0 EGAAMO CCOc1ccccc1C[N@@H+](Cc1cc(=O)c(OC)c[nH]1)C1CC1 ZINC000244742001 243072216 /nfs/dbraw/zinc/07/22/16/243072216.db2.gz OAIJTPPZTIVYGY-UHFFFAOYSA-N 1 1 328.412 3.359 50 0 EGAAMO COc1ccc(CCN(C)[C@H]2CCC[N@H+](C3CCC3)C2)cc1OC ZINC000020235465 212113369 /nfs/dbraw/zinc/11/33/69/212113369.db2.gz WHMQVSZDODJWRL-SFHVURJKSA-N 1 1 332.488 3.195 50 0 EGAAMO COc1ccc(CC[N@H+](C)[C@H]2CCCN(C3CCC3)C2)cc1OC ZINC000020235465 212113371 /nfs/dbraw/zinc/11/33/71/212113371.db2.gz WHMQVSZDODJWRL-SFHVURJKSA-N 1 1 332.488 3.195 50 0 EGAAMO COc1ccc(CC[N@@H+](C)[C@H]2CCCN(C3CCC3)C2)cc1OC ZINC000020235465 212113374 /nfs/dbraw/zinc/11/33/74/212113374.db2.gz WHMQVSZDODJWRL-SFHVURJKSA-N 1 1 332.488 3.195 50 0 EGAAMO O=C(NCc1ccc(Cl)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019923742 212084415 /nfs/dbraw/zinc/08/44/15/212084415.db2.gz NYYDXVOEUPUAPL-UHFFFAOYSA-N 1 1 343.858 3.367 50 0 EGAAMO c1nc2sc3c(c2c(NCCC[NH+]2CCOCC2)n1)CCCCC3 ZINC000019900198 212080539 /nfs/dbraw/zinc/08/05/39/212080539.db2.gz HWVQSBCYDOPPPG-UHFFFAOYSA-N 1 1 346.500 3.094 50 0 EGAAMO CCCn1cc(C[N@@H+]2CCC[C@@H]2c2ccc(C(N)=O)s2)c(C)n1 ZINC000019866140 212077479 /nfs/dbraw/zinc/07/74/79/212077479.db2.gz DJJAMVBGRDGLRH-CQSZACIVSA-N 1 1 332.473 3.099 50 0 EGAAMO CCCn1cc(C[N@H+]2CCC[C@@H]2c2ccc(C(N)=O)s2)c(C)n1 ZINC000019866140 212077480 /nfs/dbraw/zinc/07/74/80/212077480.db2.gz DJJAMVBGRDGLRH-CQSZACIVSA-N 1 1 332.473 3.099 50 0 EGAAMO COc1ccc(NC(=S)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000019770576 212062959 /nfs/dbraw/zinc/06/29/59/212062959.db2.gz QKHDEAASKHBNOE-UHFFFAOYSA-N 1 1 341.480 3.210 50 0 EGAAMO CCOC(=O)[C@]1(Cc2ccccc2C)CCC[N@H+](Cc2cc[nH]n2)C1 ZINC000012433553 211380016 /nfs/dbraw/zinc/38/00/16/211380016.db2.gz MNZXVACXFGPFKG-FQEVSTJZSA-N 1 1 341.455 3.106 50 0 EGAAMO CCOC(=O)[C@]1(Cc2ccccc2C)CCC[N@@H+](Cc2cc[nH]n2)C1 ZINC000012433553 211380019 /nfs/dbraw/zinc/38/00/19/211380019.db2.gz MNZXVACXFGPFKG-FQEVSTJZSA-N 1 1 341.455 3.106 50 0 EGAAMO CCCn1ccnc1CN1C[C@H]2CC[C@H](C[N@@H+]2Cc2ccccc2)C1 ZINC000091417001 218003177 /nfs/dbraw/zinc/00/31/77/218003177.db2.gz WBRIYOHUTVDZTI-VQTJNVASSA-N 1 1 338.499 3.390 50 0 EGAAMO O=C(N[C@@H]1CCC[N@H+](Cc2ccccn2)C1)c1ccc(F)cc1Cl ZINC000011936939 211271437 /nfs/dbraw/zinc/27/14/37/211271437.db2.gz ZIYJGWUFIUNUPQ-OAHLLOKOSA-N 1 1 347.821 3.269 50 0 EGAAMO O=C(N[C@@H]1CCC[N@@H+](Cc2ccccn2)C1)c1ccc(F)cc1Cl ZINC000011936939 211271443 /nfs/dbraw/zinc/27/14/43/211271443.db2.gz ZIYJGWUFIUNUPQ-OAHLLOKOSA-N 1 1 347.821 3.269 50 0 EGAAMO Cc1cccc([C@@H](C(=O)N(Cc2cnn(C)c2)CC(C)C)[NH+](C)C)c1 ZINC000091586457 218026163 /nfs/dbraw/zinc/02/61/63/218026163.db2.gz QMCKLVLIIBVJOC-IBGZPJMESA-N 1 1 342.487 3.016 50 0 EGAAMO Cc1nc(C)c(C[NH2+][C@H](C)c2cnc(-c3ccncc3)nc2C)nc1C ZINC000011840582 211254352 /nfs/dbraw/zinc/25/43/52/211254352.db2.gz SVFARQQVFRWMAO-CQSZACIVSA-N 1 1 348.454 3.413 50 0 EGAAMO CCc1ncc(CN2CC[C@]3(C2)CCC[N@@H+](CC2CCC2)C3)cn1 ZINC000011753546 211243810 /nfs/dbraw/zinc/24/38/10/211243810.db2.gz CZZUOQAUFGREKE-HXUWFJFHSA-N 1 1 328.504 3.127 50 0 EGAAMO Cc1c(C[N@H+]2CCC[C@@H](C(=O)c3cccc(Cl)c3)C2)cnn1C ZINC000011754242 211242780 /nfs/dbraw/zinc/24/27/80/211242780.db2.gz DBDDNZIWEPKSAH-OAHLLOKOSA-N 1 1 331.847 3.477 50 0 EGAAMO Cc1ccc(F)cc1C[N@H+]1C[C@H]2CC[C@@H]1CN(C(=O)C1CCC1)C2 ZINC000091745931 218057234 /nfs/dbraw/zinc/05/72/34/218057234.db2.gz MSDMAZXGHUBINR-DNVCBOLYSA-N 1 1 330.447 3.357 50 0 EGAAMO CCn1ccnc1CN1CCC([C@@H]2CC[N@@H+](CC(C)(C)C)C2)CC1 ZINC000011663223 211229137 /nfs/dbraw/zinc/22/91/37/211229137.db2.gz JLWSICKMARLLOP-GOSISDBHSA-N 1 1 332.536 3.483 50 0 EGAAMO O=C(c1cccs1)N1C[C@H]2CC[C@H](C[N@@H+]2Cc2ccccc2)C1 ZINC000091988571 218099413 /nfs/dbraw/zinc/09/94/13/218099413.db2.gz FNRODPZRXDCOAT-IAGOWNOFSA-N 1 1 326.465 3.485 50 0 EGAAMO CC(=O)c1cnc(NCC[N@H+]2CCC[C@@H](c3ccccc3)C2)nc1C ZINC000092046873 218110258 /nfs/dbraw/zinc/11/02/58/218110258.db2.gz PDHUVMLHDBQIRV-GOSISDBHSA-N 1 1 338.455 3.279 50 0 EGAAMO Cc1ccccc1CSc1nc(NCC(C)(C)CO)cc(N)[nH+]1 ZINC000095360659 218292815 /nfs/dbraw/zinc/29/28/15/218292815.db2.gz IULSJGWKDDKYPZ-UHFFFAOYSA-N 1 1 332.473 3.090 50 0 EGAAMO Cc1ccccc1CSc1nc(N)cc(NCC(C)(C)CO)[nH+]1 ZINC000095360659 218292817 /nfs/dbraw/zinc/29/28/17/218292817.db2.gz IULSJGWKDDKYPZ-UHFFFAOYSA-N 1 1 332.473 3.090 50 0 EGAAMO CN(CCn1ccc2ccccc21)C(=O)[C@@H]1Cc2ccccc2C[N@@H+]1C ZINC000095355904 218289150 /nfs/dbraw/zinc/28/91/50/218289150.db2.gz NMMRSUYTWIRJIN-NRFANRHFSA-N 1 1 347.462 3.156 50 0 EGAAMO CN(CCn1ccc2ccccc21)C(=O)[C@@H]1Cc2ccccc2C[N@H+]1C ZINC000095355904 218289153 /nfs/dbraw/zinc/28/91/53/218289153.db2.gz NMMRSUYTWIRJIN-NRFANRHFSA-N 1 1 347.462 3.156 50 0 EGAAMO COc1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)C(=O)N3CC2CC2)cc1Cl ZINC000095366239 218299366 /nfs/dbraw/zinc/29/93/66/218299366.db2.gz BOPBYDVRTSFCPT-JKSUJKDBSA-N 1 1 348.874 3.181 50 0 EGAAMO CCn1c(C)cc(C(=O)N2C[C@H]3CC[C@H](C[N@@H+]3CC3CCC3)C2)c1C ZINC000095365604 218298293 /nfs/dbraw/zinc/29/82/93/218298293.db2.gz TZOJBTCIIWKKGN-RTBURBONSA-N 1 1 343.515 3.461 50 0 EGAAMO Cc1cc(C[C@@H](C)NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)n[nH]1 ZINC000095378970 218310919 /nfs/dbraw/zinc/31/09/19/218310919.db2.gz GXFGOTDGFVACQM-OAHLLOKOSA-N 1 1 340.471 3.065 50 0 EGAAMO CCCn1nc(C)c(CNC(=O)[C@@H](c2ccc(C)cc2)[NH+](C)C)c1C ZINC000095388643 218320890 /nfs/dbraw/zinc/32/08/90/218320890.db2.gz YDWKVEXIAXBPLI-LJQANCHMSA-N 1 1 342.487 3.137 50 0 EGAAMO C[C@H]1CCCC[N@H+]1C1CN(C(=O)c2c[nH]nc2C2CCCCC2)C1 ZINC000097323926 219011807 /nfs/dbraw/zinc/01/18/07/219011807.db2.gz VTQPDNCOSMAZAC-AWEZNQCLSA-N 1 1 330.476 3.156 50 0 EGAAMO C[NH+]1CCN(c2ccc(-c3cccc(C(F)(F)F)c3F)nn2)CC1 ZINC000426698450 257958290 /nfs/dbraw/zinc/95/82/90/257958290.db2.gz PAOJDGIGMLKHMZ-UHFFFAOYSA-N 1 1 340.324 3.053 50 0 EGAAMO Cc1ccc(NC(=O)C[NH2+]C2CCN(Cc3ccccc3)CC2)cc1 ZINC000071775013 258063944 /nfs/dbraw/zinc/06/39/44/258063944.db2.gz FNZIPKHDLUSZJL-UHFFFAOYSA-N 1 1 337.467 3.188 50 0 EGAAMO Cc1[nH+]ccn1CCC(=O)N(C)C[C@@]1(c2ccccc2)CC1(C)C ZINC000299757594 258075206 /nfs/dbraw/zinc/07/52/06/258075206.db2.gz HIFPIXZLUPURLF-HXUWFJFHSA-N 1 1 325.456 3.408 50 0 EGAAMO CC[N@H+]1CCC[C@H]1CNC(=O)Nc1ccc(Cl)c2ncccc12 ZINC000299759408 258076817 /nfs/dbraw/zinc/07/68/17/258076817.db2.gz REWGSGGOTFHKOL-LBPRGKRZSA-N 1 1 332.835 3.494 50 0 EGAAMO c1ccc(C[N@H+]2CCCO[C@@H](COc3ccc4c(c3)OCO4)C2)cc1 ZINC000340047186 155081746 /nfs/dbraw/zinc/08/17/46/155081746.db2.gz MLEVPDAWDZMPCT-GOSISDBHSA-N 1 1 341.407 3.085 50 0 EGAAMO CC[C@H]1[C@@H](CO)CC[N@H+]1Cc1cc(-c2ccncc2)ccc1OC ZINC000449428938 310061341 /nfs/dbraw/zinc/06/13/41/310061341.db2.gz UNUQMOJLRZRNNW-MJGOQNOKSA-N 1 1 326.440 3.350 50 0 EGAAMO O[C@]1(c2ccccc2)CC[N@H+](Cc2nccn2Cc2ccccc2)C1 ZINC000244724588 455275826 /nfs/dbraw/zinc/27/58/26/455275826.db2.gz MWWPNIVWWJVHQG-OAQYLSRUSA-N 1 1 333.435 3.025 50 0 EGAAMO O[C@]1(c2ccccc2)CC[N@@H+](Cc2nccn2Cc2ccccc2)C1 ZINC000244724588 455275831 /nfs/dbraw/zinc/27/58/31/455275831.db2.gz MWWPNIVWWJVHQG-OAQYLSRUSA-N 1 1 333.435 3.025 50 0 EGAAMO Cc1ccc(NC(=O)c2ccc(N3CC[NH+](C)CC3)c(F)c2)cc1 ZINC000001394754 452660665 /nfs/dbraw/zinc/66/06/65/452660665.db2.gz ORAMJHCWJKEANM-UHFFFAOYSA-N 1 1 327.403 3.138 50 0 EGAAMO COc1ccc(OCCOCC[N@H+]2CCc3ccccc3C2)cc1 ZINC000002191190 452687962 /nfs/dbraw/zinc/68/79/62/452687962.db2.gz ITELRMUAVVMDEF-UHFFFAOYSA-N 1 1 327.424 3.149 50 0 EGAAMO O=C(OC[C@@H]1CCC[N@H+]2CCCC[C@H]12)[C@@H]1CC(=O)OC12CCCCC2 ZINC000004037342 452789886 /nfs/dbraw/zinc/78/98/86/452789886.db2.gz XXCRHFHKCNIENE-YESZJQIVSA-N 1 1 349.471 3.060 50 0 biogenic EGAAMO C[NH+]1CCN(c2ccc(NC(=O)c3cccs3)cc2Cl)CC1 ZINC000004842628 452821815 /nfs/dbraw/zinc/82/18/15/452821815.db2.gz FQKXDDMIFRUIBY-UHFFFAOYSA-N 1 1 335.860 3.406 50 0 EGAAMO CCOC(=O)[C@]1(Cc2ccccc2C)CCC[N@H+](Cc2ccon2)C1 ZINC000012593608 453380973 /nfs/dbraw/zinc/38/09/73/453380973.db2.gz SEOPKWYQOULXQF-FQEVSTJZSA-N 1 1 342.439 3.371 50 0 EGAAMO CCOC(=O)[C@]1(Cc2ccccc2C)CCC[N@@H+](Cc2ccon2)C1 ZINC000012593608 453380981 /nfs/dbraw/zinc/38/09/81/453380981.db2.gz SEOPKWYQOULXQF-FQEVSTJZSA-N 1 1 342.439 3.371 50 0 EGAAMO CC(C)CCN(C)C(=O)[C@H]1CCC[N@@H+](C2CCN(C(C)C)CC2)C1 ZINC000012701725 453392287 /nfs/dbraw/zinc/39/22/87/453392287.db2.gz SVIJTTUWHFSSCW-SFHVURJKSA-N 1 1 337.552 3.076 50 0 EGAAMO CC(C)CCN(C)C(=O)[C@H]1CCC[N@H+](C2CCN(C(C)C)CC2)C1 ZINC000012701725 453392294 /nfs/dbraw/zinc/39/22/94/453392294.db2.gz SVIJTTUWHFSSCW-SFHVURJKSA-N 1 1 337.552 3.076 50 0 EGAAMO O=C(c1ccc(Oc2ccccc2)cc1)[C@@H]1CCC[N@H+](CCO)C1 ZINC000014970188 453549220 /nfs/dbraw/zinc/54/92/20/453549220.db2.gz GAUBWGHVPJOKJW-QGZVFWFLSA-N 1 1 325.408 3.366 50 0 EGAAMO Cc1ccc([C@@H](CNC(=O)c2cc(-c3cccs3)on2)[NH+](C)C)o1 ZINC000015860400 453587693 /nfs/dbraw/zinc/58/76/93/453587693.db2.gz PPFXOFBYTWBHRR-CYBMUJFWSA-N 1 1 345.424 3.337 50 0 EGAAMO COc1cc(C[N@H+]2CCC[C@H]2CO)ccc1OCc1ccccc1 ZINC000023281085 453708138 /nfs/dbraw/zinc/70/81/38/453708138.db2.gz WMNCVXGNBITFKR-SFHVURJKSA-N 1 1 327.424 3.231 50 0 EGAAMO COc1cccc2c1ncn(CC[C@@H]1CCCC[N@H+]1C(C)C)c2=O ZINC000032540615 453877375 /nfs/dbraw/zinc/87/73/75/453877375.db2.gz YDCYHRWRRJFSBX-HNNXBMFYSA-N 1 1 329.444 3.058 50 0 EGAAMO CCCCOC(=O)N1CCC2(CCC([N@H+]3CC[C@H](O)C3)CC2)CC1 ZINC000067773404 453965469 /nfs/dbraw/zinc/96/54/69/453965469.db2.gz JMQFZAHSWVOPFR-KRWDZBQOSA-N 1 1 338.492 3.015 50 0 EGAAMO Fc1ccc(CN2CCC[C@@]3(CC[N@H+](C4CCOCC4)C3)C2)cc1 ZINC000055252633 453971946 /nfs/dbraw/zinc/97/19/46/453971946.db2.gz VVVZZFPAHRYHDR-HXUWFJFHSA-N 1 1 332.463 3.293 50 0 EGAAMO O=C(Cn1ccc2ccc(F)cc21)NC[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000043746884 454076447 /nfs/dbraw/zinc/07/64/47/454076447.db2.gz AWJAWEHNGOOJNY-WMZOPIPTSA-N 1 1 343.446 3.161 50 0 EGAAMO Cn1cc[nH+]c1CC[C@H]1CCCCN1Cc1noc(C2CCCC2)n1 ZINC000077408250 454102720 /nfs/dbraw/zinc/10/27/20/454102720.db2.gz FGTNIDIHZXDRML-MRXNPFEDSA-N 1 1 343.475 3.448 50 0 EGAAMO CCOc1ccc(C[N@H+]2CCC[C@]3(CCC(=O)N(C4CC4)C3)C2)cc1 ZINC000077470539 454109711 /nfs/dbraw/zinc/10/97/11/454109711.db2.gz WQKWDCIRKNUEIU-NRFANRHFSA-N 1 1 342.483 3.452 50 0 EGAAMO Fc1ccc(-c2c[nH]nc2[C@@H]2CCC[N@H+](Cc3ncc[nH]3)C2)cc1 ZINC000077525425 454117530 /nfs/dbraw/zinc/11/75/30/454117530.db2.gz PPJGRDCHYJNRIA-CQSZACIVSA-N 1 1 325.391 3.319 50 0 EGAAMO Fc1ccc(-c2c[nH]nc2[C@@H]2CCC[N@@H+](Cc3ncc[nH]3)C2)cc1 ZINC000077525425 454117534 /nfs/dbraw/zinc/11/75/34/454117534.db2.gz PPJGRDCHYJNRIA-CQSZACIVSA-N 1 1 325.391 3.319 50 0 EGAAMO CC[C@@]12C=CC[N@@H+]3CC[C@]4(c5ccccc5NC4=C(C(=O)OC)C1)[C@H]32 ZINC000071404425 454206411 /nfs/dbraw/zinc/20/64/11/454206411.db2.gz FNGGIPWAZSFKCN-NJDAHSKKSA-N 1 1 336.435 3.221 50 0 EGAAMO OCCOc1ccc(C[N@@H+]2CCO[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC000071422355 454207112 /nfs/dbraw/zinc/20/71/12/454207112.db2.gz BFAOBACWOVAIKK-IBGZPJMESA-N 1 1 347.842 3.285 50 0 EGAAMO OCCOc1ccc(C[N@H+]2CCO[C@H](c3ccc(Cl)cc3)C2)cc1 ZINC000071422355 454207115 /nfs/dbraw/zinc/20/71/15/454207115.db2.gz BFAOBACWOVAIKK-IBGZPJMESA-N 1 1 347.842 3.285 50 0 EGAAMO CCn1nc(CNC(=O)[C@H](C)n2cc[nH+]c2C(C)C)c2ccccc21 ZINC000095504748 454223996 /nfs/dbraw/zinc/22/39/96/454223996.db2.gz KOBDXBLBAHMPBF-AWEZNQCLSA-N 1 1 339.443 3.254 50 0 EGAAMO O=C(NCc1ccco1)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000072049919 454269088 /nfs/dbraw/zinc/26/90/88/454269088.db2.gz VWYMYMRXJIXVCD-CQSZACIVSA-N 1 1 333.457 3.053 50 0 EGAAMO CC(C)c1nnsc1C[N@H+]1CCC[C@]2(C1)c1ccccc1NC2=O ZINC000072170548 454274067 /nfs/dbraw/zinc/27/40/67/454274067.db2.gz RWYJVIVBDYHGDO-SFHVURJKSA-N 1 1 342.468 3.147 50 0 EGAAMO OCc1ccccc1C[NH+]1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000097099211 454406649 /nfs/dbraw/zinc/40/66/49/454406649.db2.gz MUZBIYZWSKGSSZ-UHFFFAOYSA-N 1 1 348.849 3.289 50 0 EGAAMO c1ccc(-c2nnc(C[N@H+]3CC[C@@H](CNc4ccccn4)C3)o2)cc1 ZINC000097200490 454423481 /nfs/dbraw/zinc/42/34/81/454423481.db2.gz SUULLXXHFHGEFZ-HNNXBMFYSA-N 1 1 335.411 3.066 50 0 EGAAMO c1ccc(-c2nnc(C[N@@H+]3CC[C@@H](CNc4ccccn4)C3)o2)cc1 ZINC000097200490 454423484 /nfs/dbraw/zinc/42/34/84/454423484.db2.gz SUULLXXHFHGEFZ-HNNXBMFYSA-N 1 1 335.411 3.066 50 0 EGAAMO COc1ccc2c(C)c(C(=O)N3CC([N@H+]4CCCC[C@@H]4C)C3)oc2c1 ZINC000091321396 454427241 /nfs/dbraw/zinc/42/72/41/454427241.db2.gz KLCMNEKPDXADGB-ZDUSSCGKSA-N 1 1 342.439 3.449 50 0 EGAAMO O=c1cc(C[N@H+]2CCCC3(CCOCC3)C2)[nH]c2ccc(F)cc12 ZINC000091364590 454430112 /nfs/dbraw/zinc/43/01/12/454430112.db2.gz YUHQKQCWXMLVEB-UHFFFAOYSA-N 1 1 330.403 3.472 50 0 EGAAMO CC[C@@H](CO)[N@@H+](Cc1ccsc1)Cc1ccc(NC(C)=O)cc1 ZINC000063847208 454454672 /nfs/dbraw/zinc/45/46/72/454454672.db2.gz OCFZPXKMJYQQJE-SFHVURJKSA-N 1 1 332.469 3.480 50 0 EGAAMO CC[C@H](CO)[N@@H+](Cc1ccsc1)Cc1cc2c(c(OC)c1)OCO2 ZINC000063847726 454454816 /nfs/dbraw/zinc/45/48/16/454454816.db2.gz WJULKDROLHAYKR-OAHLLOKOSA-N 1 1 349.452 3.259 50 0 EGAAMO C[C@H](c1ccon1)[N@H+](C)CCC(=O)Nc1nc2ccccc2s1 ZINC000065393491 454559105 /nfs/dbraw/zinc/55/91/05/454559105.db2.gz KZIJKOJFNOJWOU-LLVKDONJSA-N 1 1 330.413 3.306 50 0 EGAAMO C[C@H](c1ccon1)[N@@H+](C)CCC(=O)Nc1nc2ccccc2s1 ZINC000065393491 454559109 /nfs/dbraw/zinc/55/91/09/454559109.db2.gz KZIJKOJFNOJWOU-LLVKDONJSA-N 1 1 330.413 3.306 50 0 EGAAMO Cc1ncsc1CCC(=O)NCc1ccccc1-n1cc[nH+]c1C ZINC000065408964 454561381 /nfs/dbraw/zinc/56/13/81/454561381.db2.gz SUFRGFRDTNVDPW-UHFFFAOYSA-N 1 1 340.452 3.195 50 0 EGAAMO COc1nc(C)cc(C)c1C[NH2+][C@H](C)C(=O)Nc1ccc(C)cc1 ZINC000065405196 454561577 /nfs/dbraw/zinc/56/15/77/454561577.db2.gz PXCAZEPITDKMNV-OAHLLOKOSA-N 1 1 327.428 3.132 50 0 EGAAMO COc1ccc([C@H](Nc2nc(N(C)C)c(C)c[nH+]2)c2ccncc2)cc1 ZINC000065455635 454570333 /nfs/dbraw/zinc/57/03/33/454570333.db2.gz CBEHYOKELWHYED-SFHVURJKSA-N 1 1 349.438 3.456 50 0 EGAAMO COc1cccc([C@@H]2CC[N@H+](Cc3ccc(OC)cc3F)C[C@H]2O)c1 ZINC000065508727 454580986 /nfs/dbraw/zinc/58/09/86/454580986.db2.gz JVMYEGZXRXKQDL-AZUAARDMSA-N 1 1 345.414 3.193 50 0 EGAAMO CC[N@H+]1CCC[C@H]1CNC(=O)COc1cccc2c1ccn2C(C)C ZINC000253394671 455838595 /nfs/dbraw/zinc/83/85/95/455838595.db2.gz AFAWLACBUFFTBJ-INIZCTEOSA-N 1 1 343.471 3.202 50 0 EGAAMO CC[C@@H](O)c1cc2n(n1)CCC[N@H+](Cc1ccnc3ccccc13)C2 ZINC000220163844 456039156 /nfs/dbraw/zinc/03/91/56/456039156.db2.gz ZUVUQXAHCUIDHY-HXUWFJFHSA-N 1 1 336.439 3.281 50 0 EGAAMO CC[C@@H](O)c1cc2n(n1)CCC[N@@H+](Cc1ccnc3ccccc13)C2 ZINC000220163844 456039161 /nfs/dbraw/zinc/03/91/61/456039161.db2.gz ZUVUQXAHCUIDHY-HXUWFJFHSA-N 1 1 336.439 3.281 50 0 EGAAMO Cc1cccc(OC2CN(C(=O)[C@H](c3cccc(C)c3)[NH+](C)C)C2)c1 ZINC000223094081 456053737 /nfs/dbraw/zinc/05/37/37/456053737.db2.gz KDMNNYJHDKOWBV-FQEVSTJZSA-N 1 1 338.451 3.196 50 0 EGAAMO COc1ccc(Cl)cc1C(=O)NC[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000223127556 456053764 /nfs/dbraw/zinc/05/37/64/456053764.db2.gz GXBHDWNNVDHHRF-CYBMUJFWSA-N 1 1 336.863 3.343 50 0 EGAAMO CC(C)(C)CCC(=O)NC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000346653298 457093082 /nfs/dbraw/zinc/09/30/82/457093082.db2.gz PGDANYFMZUGOMS-GOSISDBHSA-N 1 1 332.488 3.220 50 0 EGAAMO C[C@@H](O)c1cccc(-c2ccc(C(=O)N3CCC[N@@H+](C)CC3)cc2)c1 ZINC000426386964 457819556 /nfs/dbraw/zinc/81/95/56/457819556.db2.gz VCTJNYXJZFNPEX-MRXNPFEDSA-N 1 1 338.451 3.185 50 0 EGAAMO Cc1cc2c(ncnc2-c2cccc(C[NH+]3CCOCC3)c2)s1 ZINC000426555534 457853795 /nfs/dbraw/zinc/85/37/95/457853795.db2.gz NKDGQZHOZDSUFY-UHFFFAOYSA-N 1 1 325.437 3.499 50 0 EGAAMO COc1ccc2cc(C(=O)NC[C@H]3CCC[N@H+]4CCCC[C@@H]34)[nH]c2c1 ZINC000526052625 459538504 /nfs/dbraw/zinc/53/85/04/459538504.db2.gz XJUXCVHKXDXMQX-BEFAXECRSA-N 1 1 341.455 3.171 50 0 EGAAMO CCCc1cc(C[N@@H+](C)CCC(=O)Nc2ccc(F)cc2F)[nH]n1 ZINC000244647027 535396058 /nfs/dbraw/zinc/39/60/58/535396058.db2.gz GTPIGELDURIDAI-UHFFFAOYSA-N 1 1 336.386 3.101 50 0 EGAAMO Cc1cc(C[N@H+](C)[C@@H]2CCC(=O)N(Cc3cccc(F)c3)CC2)on1 ZINC000012331916 1291132155 /nfs/dbraw/zinc/13/21/55/1291132155.db2.gz XHJJPIKGDIBDFH-QGZVFWFLSA-N 1 1 345.418 3.135 50 0 EGAAMO CCc1ncc(C[NH2+][C@@H](C)c2cnc(-c3ccncc3)nc2C)cn1 ZINC000015076865 1291145646 /nfs/dbraw/zinc/14/56/46/1291145646.db2.gz JZPRICXJPIRKBK-ZDUSSCGKSA-N 1 1 334.427 3.050 50 0 EGAAMO CC(C)=CC[N@H+]1CCN(Cc2nc(C(C)C)cs2)C[C@H]1CCO ZINC000022909971 1291227956 /nfs/dbraw/zinc/22/79/56/1291227956.db2.gz MNEXXKOTHIPNPL-MRXNPFEDSA-N 1 1 337.533 3.101 50 0 EGAAMO CC(C)=CC[N@@H+]1CCN(Cc2nc(C(C)C)cs2)C[C@H]1CCO ZINC000022909971 1291227959 /nfs/dbraw/zinc/22/79/59/1291227959.db2.gz MNEXXKOTHIPNPL-MRXNPFEDSA-N 1 1 337.533 3.101 50 0 EGAAMO Cc1ccoc1C(=O)NC[C@H]1CCC[N@@H+](C/C=C/c2ccco2)C1 ZINC000067910048 1292176098 /nfs/dbraw/zinc/17/60/98/1292176098.db2.gz LCPLXNUPBLCWLD-WUTVXBCWSA-N 1 1 328.412 3.336 50 0 EGAAMO Cc1cccc([C@@H](C(=O)N(C)Cc2nc3ccccc3[nH]2)[NH+](C)C)c1 ZINC000825212512 1320319037 /nfs/dbraw/zinc/31/90/37/1320319037.db2.gz CXVJXKJFPGQPEX-IBGZPJMESA-N 1 1 336.439 3.133 50 0 EGAAMO COc1ncc(C[N@H+]2CCCC[C@@H]2CCc2cccc(O)c2)cn1 ZINC000952975648 1334628325 /nfs/dbraw/zinc/62/83/25/1334628325.db2.gz YADOBTSXLDDCSA-QGZVFWFLSA-N 1 1 327.428 3.178 50 0 EGAAMO Cc1nc(-c2cccc(NC(=O)[C@@H](c3ccc(C)cc3)[NH+](C)C)c2)n[nH]1 ZINC000952989351 1334631435 /nfs/dbraw/zinc/63/14/35/1334631435.db2.gz IIGDMKVRTKGXEC-GOSISDBHSA-N 1 1 349.438 3.330 50 0 EGAAMO O[C@@H]1CCC[C@]12CCC[N@H+](C1CCN(c3cccc(F)c3)CC1)C2 ZINC001704344738 1416449767 /nfs/dbraw/zinc/44/97/67/1416449767.db2.gz XVYDUYKVQRVIKV-WOJBJXKFSA-N 1 1 332.463 3.422 50 0 EGAAMO CNC(=O)c1ccc(C[N@H+]2CCCC[C@@H]2CCc2ccccn2)o1 ZINC001704353171 1416453761 /nfs/dbraw/zinc/45/37/61/1416453761.db2.gz SKHXAPIRELAGRD-MRXNPFEDSA-N 1 1 327.428 3.022 50 0 EGAAMO CCCC(=O)Nc1cccc(C(=O)N[C@@H]2CCC[N@H+](CCC)C2)c1 ZINC000055107743 214273421 /nfs/dbraw/zinc/27/34/21/214273421.db2.gz NJDUYWHDDLSVLE-QGZVFWFLSA-N 1 1 331.460 3.029 50 0 EGAAMO COCc1cc(C[N@H+](Cc2cnn(C)c2)CC(C)C)ccc1OC ZINC000055225152 214291607 /nfs/dbraw/zinc/29/16/07/214291607.db2.gz GJNNHVGDNDXJFE-UHFFFAOYSA-N 1 1 331.460 3.233 50 0 EGAAMO CC[N@H+]1CCCC[C@@H]1C(=O)NCc1cc(F)ccc1C(F)(F)F ZINC000097775654 219056794 /nfs/dbraw/zinc/05/67/94/219056794.db2.gz RRLJHKCAWBIPNP-CQSZACIVSA-N 1 1 332.341 3.335 50 0 EGAAMO CC[C@]12CCC[N@H+]3CC[C@]4(c5ccccc5NC4=C(C(=O)OC)C1)[C@H]32 ZINC000101124863 219117136 /nfs/dbraw/zinc/11/71/36/219117136.db2.gz GIGFIWJRTMBSRP-QHAWAJNXSA-N 1 1 338.451 3.445 50 0 biogenic EGAAMO C[C@H](C1=CCC[N@@H+](Cc2ccncc2)C1)N(C)C(=O)c1cccs1 ZINC000067643320 215172733 /nfs/dbraw/zinc/17/27/33/215172733.db2.gz PXJOQNOIUNPGDP-OAHLLOKOSA-N 1 1 341.480 3.436 50 0 EGAAMO COc1ccc2ccccc2c1-c1nccn1CC[NH+]1CCOCC1 ZINC000067649077 215173606 /nfs/dbraw/zinc/17/36/06/215173606.db2.gz FCLLCRWQVNSHEX-UHFFFAOYSA-N 1 1 337.423 3.044 50 0 EGAAMO CCOc1ccc2oc(C)c(C(=O)NC[C@@H]3CCC[N@@H+](C)C3)c2c1 ZINC000067674370 215178735 /nfs/dbraw/zinc/17/87/35/215178735.db2.gz UTUHXHAGGLCJFF-AWEZNQCLSA-N 1 1 330.428 3.212 50 0 EGAAMO C[N@H+]1CCCC[C@@H]1CCC(=O)NCc1c[nH]nc1-c1cccs1 ZINC000067756794 215204949 /nfs/dbraw/zinc/20/49/49/215204949.db2.gz RBMXDDSZQDHDQE-CQSZACIVSA-N 1 1 332.473 3.019 50 0 EGAAMO Cc1ccccc1[C@@H]1c2[nH]cnc2CC[N@H+]1Cc1ccc2nonc2c1 ZINC000067841853 215227447 /nfs/dbraw/zinc/22/74/47/215227447.db2.gz ACDDXQWVDODBFL-HXUWFJFHSA-N 1 1 345.406 3.402 50 0 EGAAMO Cc1ccccc1[C@@H]1c2[nH]cnc2CC[N@@H+]1Cc1ccc2nonc2c1 ZINC000067841853 215227451 /nfs/dbraw/zinc/22/74/51/215227451.db2.gz ACDDXQWVDODBFL-HXUWFJFHSA-N 1 1 345.406 3.402 50 0 EGAAMO Cc1cccc2[nH]c([C@H]3CCC[N@@H+](Cc4ccc(CO)o4)C3)nc21 ZINC000067847174 215228550 /nfs/dbraw/zinc/22/85/50/215228550.db2.gz WMTIYFVTIUUDTP-AWEZNQCLSA-N 1 1 325.412 3.336 50 0 EGAAMO Cc1cccc2nc([C@H]3CCC[N@H+](Cc4ccc(CO)o4)C3)[nH]c21 ZINC000067847174 215228552 /nfs/dbraw/zinc/22/85/52/215228552.db2.gz WMTIYFVTIUUDTP-AWEZNQCLSA-N 1 1 325.412 3.336 50 0 EGAAMO Cc1cccc2nc([C@H]3CCC[N@@H+](Cc4ccc(CO)o4)C3)[nH]c21 ZINC000067847174 215228554 /nfs/dbraw/zinc/22/85/54/215228554.db2.gz WMTIYFVTIUUDTP-AWEZNQCLSA-N 1 1 325.412 3.336 50 0 EGAAMO Cc1ccc(NC(=O)NCC[C@H]2CCC[N@H+](C3CCOCC3)C2)cc1 ZINC000067847352 215230330 /nfs/dbraw/zinc/23/03/30/215230330.db2.gz CSDLOVCMCZAXLU-QGZVFWFLSA-N 1 1 345.487 3.398 50 0 EGAAMO Cc1oc(-c2ccccc2C)nc1C[N@H+](C)CC1(CO)CCOCC1 ZINC000067935121 215255023 /nfs/dbraw/zinc/25/50/23/215255023.db2.gz YHYIXNRFMHRNQT-UHFFFAOYSA-N 1 1 344.455 3.179 50 0 EGAAMO CC(C)(C)C[N@H+]1CCN(Cc2ccc(F)cc2Cl)C[C@H]1CCO ZINC000104370179 219380658 /nfs/dbraw/zinc/38/06/58/219380658.db2.gz DJSCSJSKOOEPLI-MRXNPFEDSA-N 1 1 342.886 3.394 50 0 EGAAMO CC(C)=CCN1CC[N@@H+](Cc2cc3ccccc3o2)C[C@H]1CCO ZINC000104484872 219389574 /nfs/dbraw/zinc/38/95/74/219389574.db2.gz WWDZRJRRTBDIRI-GOSISDBHSA-N 1 1 328.456 3.268 50 0 EGAAMO CC(C)=CC[N@@H+]1CCN(Cc2cc3ccccc3o2)C[C@H]1CCO ZINC000104484872 219389577 /nfs/dbraw/zinc/38/95/77/219389577.db2.gz WWDZRJRRTBDIRI-GOSISDBHSA-N 1 1 328.456 3.268 50 0 EGAAMO CC(C)=CC[N@H+]1CCN(Cc2cc3ccccc3o2)C[C@H]1CCO ZINC000104484872 219389583 /nfs/dbraw/zinc/38/95/83/219389583.db2.gz WWDZRJRRTBDIRI-GOSISDBHSA-N 1 1 328.456 3.268 50 0 EGAAMO Cc1ccccc1CN1CC[NH+](Cc2cccc3nccnc23)CC1 ZINC000072129801 216020970 /nfs/dbraw/zinc/02/09/70/216020970.db2.gz BXXSGXGXSZFIBY-UHFFFAOYSA-N 1 1 332.451 3.256 50 0 EGAAMO COc1ccc(C[N@H+](Cc2cccnc2)C2CCN(C)CC2)cc1C ZINC000072162268 216049851 /nfs/dbraw/zinc/04/98/51/216049851.db2.gz OASKWCHPMGUTMO-UHFFFAOYSA-N 1 1 339.483 3.495 50 0 EGAAMO COc1ccc(C[N@@H+](Cc2cccnc2)C2CCN(C)CC2)cc1C ZINC000072162268 216049854 /nfs/dbraw/zinc/04/98/54/216049854.db2.gz OASKWCHPMGUTMO-UHFFFAOYSA-N 1 1 339.483 3.495 50 0 EGAAMO O=C1NC[C@@]2(CCC[N@@H+](Cc3nc(-c4ccccc4)cs3)CC2)O1 ZINC000072165871 216056349 /nfs/dbraw/zinc/05/63/49/216056349.db2.gz ZLZUKWQAFFPRNN-SFHVURJKSA-N 1 1 343.452 3.275 50 0 EGAAMO COc1cccc([C@H]2C[N@@H+](Cc3cccnc3)[C@H]3[C@@H]2N2CCC3CC2)c1 ZINC000072168967 216061218 /nfs/dbraw/zinc/06/12/18/216061218.db2.gz NXXYMHNXEJXLID-YPAWHYETSA-N 1 1 349.478 3.152 50 0 EGAAMO COc1cccc([C@H]2CN(Cc3cccnc3)[C@H]3[C@@H]2[NH+]2CCC3CC2)c1 ZINC000072168967 216061220 /nfs/dbraw/zinc/06/12/20/216061220.db2.gz NXXYMHNXEJXLID-YPAWHYETSA-N 1 1 349.478 3.152 50 0 EGAAMO CC(C)c1nc2c(cnn2C)c(NCCC[N@H+]2CCC[C@@H](C)C2)n1 ZINC000072168145 216059412 /nfs/dbraw/zinc/05/94/12/216059412.db2.gz XWFIBTHDXPRYSY-CQSZACIVSA-N 1 1 330.480 3.021 50 0 EGAAMO Cc1cc(N2CCN(Cc3ccc(-n4ccnc4)cc3)CC2)cc(C)[nH+]1 ZINC000072434416 216229043 /nfs/dbraw/zinc/22/90/43/216229043.db2.gz SVUMBUIDLCEBHH-UHFFFAOYSA-N 1 1 347.466 3.206 50 0 EGAAMO O=C(c1cccc(O)c1)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000072468046 216247526 /nfs/dbraw/zinc/24/75/26/216247526.db2.gz PNEONZZSOMPVHP-UHFFFAOYSA-N 1 1 338.451 3.173 50 0 EGAAMO CCN1CCC([NH2+][C@H](C)c2cnn(-c3cccc(F)c3)c2C)CC1 ZINC000023619237 212386118 /nfs/dbraw/zinc/38/61/18/212386118.db2.gz JMXOLJMRBMNBGV-CQSZACIVSA-N 1 1 330.451 3.455 50 0 EGAAMO Cc1nc(-c2cccc(C[N@@H+](C)[C@@H](C)c3ccncn3)c2)[nH]c(=O)c1C ZINC000023128773 212351742 /nfs/dbraw/zinc/35/17/42/212351742.db2.gz HNHKLWYZOVHBEZ-HNNXBMFYSA-N 1 1 349.438 3.037 50 0 EGAAMO Cc1nc(-c2cccc(C[N@H+](C)[C@@H](C)c3ccncn3)c2)[nH]c(=O)c1C ZINC000023128773 212351745 /nfs/dbraw/zinc/35/17/45/212351745.db2.gz HNHKLWYZOVHBEZ-HNNXBMFYSA-N 1 1 349.438 3.037 50 0 EGAAMO Cc1ccc(C[N@@H+](C)Cc2cnc(NC[C@@H]3CCCO3)nc2)s1 ZINC000216390004 241189084 /nfs/dbraw/zinc/18/90/84/241189084.db2.gz JPCOPDAARYWGNL-HNNXBMFYSA-N 1 1 332.473 3.069 50 0 EGAAMO Cc1ccc(C[N@H+](C)Cc2cnc(NC[C@@H]3CCCO3)nc2)s1 ZINC000216390004 241189092 /nfs/dbraw/zinc/18/90/92/241189092.db2.gz JPCOPDAARYWGNL-HNNXBMFYSA-N 1 1 332.473 3.069 50 0 EGAAMO O=C(N1CC[NH+](Cc2ccccc2)CC1)C1(c2ccc(F)cc2)CC1 ZINC000021695777 212239996 /nfs/dbraw/zinc/23/99/96/212239996.db2.gz BSTXLXZLJFILSE-UHFFFAOYSA-N 1 1 338.426 3.202 50 0 EGAAMO Cc1n[nH]c(C)c1CC[N@@H+](C)Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000020998340 212197391 /nfs/dbraw/zinc/19/73/91/212197391.db2.gz CRXCPKPRGWTZOP-UHFFFAOYSA-N 1 1 345.834 3.404 50 0 EGAAMO Cc1n[nH]c(C)c1CC[N@H+](C)Cc1nc(-c2ccc(Cl)cc2)no1 ZINC000020998340 212197394 /nfs/dbraw/zinc/19/73/94/212197394.db2.gz CRXCPKPRGWTZOP-UHFFFAOYSA-N 1 1 345.834 3.404 50 0 EGAAMO OCC[C@H]1CN(Cc2cccc3cccnc32)CC[N@H+]1C1CCCC1 ZINC000020781290 212171313 /nfs/dbraw/zinc/17/13/13/212171313.db2.gz NEJUDYLXKUIGSJ-FQEVSTJZSA-N 1 1 339.483 3.046 50 0 EGAAMO C[N@@H+](Cc1cc(-c2ccccn2)no1)C[C@H]1CC(c2ccccc2)=NO1 ZINC000244873323 243091475 /nfs/dbraw/zinc/09/14/75/243091475.db2.gz WOEDQBDFKHUYMZ-MRXNPFEDSA-N 1 1 348.406 3.362 50 0 EGAAMO C[N@H+](Cc1cc(-c2ccccn2)no1)C[C@H]1CC(c2ccccc2)=NO1 ZINC000244873323 243091479 /nfs/dbraw/zinc/09/14/79/243091479.db2.gz WOEDQBDFKHUYMZ-MRXNPFEDSA-N 1 1 348.406 3.362 50 0 EGAAMO O=C(CC[N@@H+]1CCC[C@@H]1c1nc2cc(Cl)ccc2[nH]1)NC1CC1 ZINC000244873372 243091709 /nfs/dbraw/zinc/09/17/09/243091709.db2.gz WPBALERVGXWKOD-OAHLLOKOSA-N 1 1 332.835 3.022 50 0 EGAAMO O=C(CCC(F)(F)F)NCC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000244882884 243097982 /nfs/dbraw/zinc/09/79/82/243097982.db2.gz YBANBQKKZOUSBT-HNNXBMFYSA-N 1 1 328.378 3.357 50 0 EGAAMO Clc1ccc2nc(C[N@H+]3CCC[C@@H](N4CCOCC4)C3)ccc2c1 ZINC000020599714 212150709 /nfs/dbraw/zinc/15/07/09/212150709.db2.gz AFHPIGOAXYFGFY-GOSISDBHSA-N 1 1 345.874 3.185 50 0 EGAAMO O=C(CN1CC[NH+](Cc2ccccc2)CC1)Nc1ccc(Cl)cc1 ZINC000020432516 212128584 /nfs/dbraw/zinc/12/85/84/212128584.db2.gz QVHIFNJJGSUAQM-UHFFFAOYSA-N 1 1 343.858 3.096 50 0 EGAAMO CCOC(=O)[C@H](c1ccccc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020246695 212114996 /nfs/dbraw/zinc/11/49/96/212114996.db2.gz MTPIBXSABLGXRQ-FQEVSTJZSA-N 1 1 338.451 3.109 50 0 EGAAMO C[N@H+]1CCN(Cc2ccc(-c3ccc(Cl)cc3)o2)C[C@@H]1CCO ZINC000019773919 212064642 /nfs/dbraw/zinc/06/46/42/212064642.db2.gz HWGPIWBMWMQQJF-INIZCTEOSA-N 1 1 334.847 3.098 50 0 EGAAMO CN1CC[N@H+](Cc2ccc(-c3ccc(Cl)cc3)o2)C[C@@H]1CCO ZINC000019773919 212064647 /nfs/dbraw/zinc/06/46/47/212064647.db2.gz HWGPIWBMWMQQJF-INIZCTEOSA-N 1 1 334.847 3.098 50 0 EGAAMO CN1CC[N@@H+](Cc2ccc(-c3ccc(Cl)cc3)o2)C[C@@H]1CCO ZINC000019773919 212064650 /nfs/dbraw/zinc/06/46/50/212064650.db2.gz HWGPIWBMWMQQJF-INIZCTEOSA-N 1 1 334.847 3.098 50 0 EGAAMO OCC[C@@H]1CN(CCCc2ccccc2)CC[N@H+]1C1CCCCC1 ZINC000019741952 212060382 /nfs/dbraw/zinc/06/03/82/212060382.db2.gz XRFXRTHFQJJDDZ-OAQYLSRUSA-N 1 1 330.516 3.321 50 0 EGAAMO c1c[nH]c(CN2CC[C@@H](C3CC[NH+](CCc4ccccc4)CC3)C2)n1 ZINC000012316690 211343683 /nfs/dbraw/zinc/34/36/83/211343683.db2.gz PVUIYDYLOROCKG-HXUWFJFHSA-N 1 1 338.499 3.186 50 0 EGAAMO CCn1ccnc1C[NH+]1CCC(CO)(Cc2ccccc2Cl)CC1 ZINC000012301282 211337839 /nfs/dbraw/zinc/33/78/39/211337839.db2.gz KHANAXBIMGNFSO-UHFFFAOYSA-N 1 1 347.890 3.374 50 0 EGAAMO CC(C)C[N@H+]1CC[C@]2(C1)CCCN(Cc1cccc(F)c1F)C2=O ZINC000012298406 211337000 /nfs/dbraw/zinc/33/70/00/211337000.db2.gz URPQRVJGTOUMDD-IBGZPJMESA-N 1 1 336.426 3.435 50 0 EGAAMO COc1ccc(-c2nc(C[N@H+]3CCCC[C@@H]3CO)c(C)o2)cc1C ZINC000012072877 211286682 /nfs/dbraw/zinc/28/66/82/211286682.db2.gz UWWZSUNUZHATSQ-MRXNPFEDSA-N 1 1 330.428 3.314 50 0 EGAAMO CC(=O)c1cc(C[N@@H+]2CCC[C@H](CCC(=O)NC3CC3)C2)cs1 ZINC000011879472 211263468 /nfs/dbraw/zinc/26/34/68/211263468.db2.gz OBMRAQSCIJXDBN-CQSZACIVSA-N 1 1 334.485 3.222 50 0 EGAAMO CC(=O)c1cc(C[N@H+]2CCC[C@H](CCC(=O)NC3CC3)C2)cs1 ZINC000011879472 211263479 /nfs/dbraw/zinc/26/34/79/211263479.db2.gz OBMRAQSCIJXDBN-CQSZACIVSA-N 1 1 334.485 3.222 50 0 EGAAMO COc1ccc(Cl)cc1C(=O)[C@H]1CCC[N@H+](C2CCOCC2)C1 ZINC000011879166 211263039 /nfs/dbraw/zinc/26/30/39/211263039.db2.gz DROVBKVLYFXUGV-ZDUSSCGKSA-N 1 1 337.847 3.422 50 0 EGAAMO O=C(CC[C@@H]1CCC[N@@H+](Cc2nc3c(s2)CCCC3)C1)NC1CC1 ZINC000011874626 211262317 /nfs/dbraw/zinc/26/23/17/211262317.db2.gz WFSIJGSAUMTTKH-AWEZNQCLSA-N 1 1 347.528 3.293 50 0 EGAAMO COCC[C@@]1(CO)CCC[N@H+](Cc2cc(C(F)(F)F)ccc2F)C1 ZINC000091536966 218019013 /nfs/dbraw/zinc/01/90/13/218019013.db2.gz JAMCUOBQNHMGIB-INIZCTEOSA-N 1 1 349.368 3.456 50 0 EGAAMO COCC[C@@]1(CO)CCC[N@@H+](Cc2cc(C(F)(F)F)ccc2F)C1 ZINC000091536966 218019014 /nfs/dbraw/zinc/01/90/14/218019014.db2.gz JAMCUOBQNHMGIB-INIZCTEOSA-N 1 1 349.368 3.456 50 0 EGAAMO COc1ccccc1/C=C/C[N@H+]1CC[C@@](O)(C2CCOCC2)[C@H](C)C1 ZINC000091562946 218022397 /nfs/dbraw/zinc/02/23/97/218022397.db2.gz GQADHHOOLFZVMW-PQGDUDRBSA-N 1 1 345.483 3.208 50 0 EGAAMO CCCN1C(=O)[C@H]2CC[C@@H]1C[N@H+](Cc1ccc(OC(F)F)cc1)C2 ZINC000091562755 218022561 /nfs/dbraw/zinc/02/25/61/218022561.db2.gz QAVQPMVAGDMAQI-LSDHHAIUSA-N 1 1 338.398 3.121 50 0 EGAAMO COCCCC1CC[NH+](Cc2nc(Cc3cccc(F)c3)no2)CC1 ZINC000011843638 211255842 /nfs/dbraw/zinc/25/58/42/211255842.db2.gz RWFRWYCSHCRUTP-UHFFFAOYSA-N 1 1 347.434 3.438 50 0 EGAAMO CC(=O)N1CCC([N@H+]2CCC[C@H](Nc3ccc(C)c(C)c3)C2)CC1 ZINC000011821636 211253050 /nfs/dbraw/zinc/25/30/50/211253050.db2.gz JWWAXMCHRZVNGZ-IBGZPJMESA-N 1 1 329.488 3.191 50 0 EGAAMO C[N@H+]1C[C@@H]2CC[C@H](C1)N(C(=O)Nc1cccc(C(F)(F)F)c1)C2 ZINC000091819796 218070649 /nfs/dbraw/zinc/07/06/49/218070649.db2.gz NDLMUCPEONIUPU-SMDDNHRTSA-N 1 1 327.350 3.263 50 0 EGAAMO O=C(NC[C@@H]1CCC[N@H+](Cc2cccc(O)c2)C1)c1cccs1 ZINC000011662037 211229985 /nfs/dbraw/zinc/22/99/85/211229985.db2.gz JEHZQUWJAMDUJL-HNNXBMFYSA-N 1 1 330.453 3.096 50 0 EGAAMO CCn1ccnc1CN1CCC([C@H]2CC[N@@H+](CC(C)(C)C)C2)CC1 ZINC000011663224 211229835 /nfs/dbraw/zinc/22/98/35/211229835.db2.gz JLWSICKMARLLOP-SFHVURJKSA-N 1 1 332.536 3.483 50 0 EGAAMO COCC[C@]1(O)CC[N@@H+](Cc2cccc(C(F)(F)F)c2)C[C@H]1C ZINC000091794525 218067916 /nfs/dbraw/zinc/06/79/16/218067916.db2.gz OXIPJHAWXZAXAS-CZUORRHYSA-N 1 1 331.378 3.315 50 0 EGAAMO Cc1[nH+]ccn1CCN(C)C(=O)COc1ccc(Cl)cc1Cl ZINC000091998065 218102063 /nfs/dbraw/zinc/10/20/63/218102063.db2.gz LVNHULGZIDKOQI-UHFFFAOYSA-N 1 1 342.226 3.036 50 0 EGAAMO COc1ccnc(C[N@@H+]2CCC[C@](CO)(CC=C(C)C)C2)c1OC ZINC000092082015 218116799 /nfs/dbraw/zinc/11/67/99/218116799.db2.gz GQAJTGQXUBIIMG-IBGZPJMESA-N 1 1 334.460 3.030 50 0 EGAAMO COc1ccnc(C[N@H+]2CCC[C@](CO)(CC=C(C)C)C2)c1OC ZINC000092082015 218116801 /nfs/dbraw/zinc/11/68/01/218116801.db2.gz GQAJTGQXUBIIMG-IBGZPJMESA-N 1 1 334.460 3.030 50 0 EGAAMO CCc1ccc(O[C@H](C)C(=O)NC[C@H](c2ccco2)[NH+](C)C)cc1 ZINC000009531154 211100170 /nfs/dbraw/zinc/10/01/70/211100170.db2.gz RGAGILNWDBNRHM-RHSMWYFYSA-N 1 1 330.428 3.028 50 0 EGAAMO Cc1ccccc1C[N@H+]1CC[C@@H](Cn2cc(-c3nccs3)nn2)C1 ZINC000095358577 218291678 /nfs/dbraw/zinc/29/16/78/218291678.db2.gz QTODTDXWEMCGKC-OAHLLOKOSA-N 1 1 339.468 3.232 50 0 EGAAMO O=C(c1cc[nH]c1)N1C[C@H]2CC[C@@H]1C[N@@H+](CCCc1ccccc1)C2 ZINC000095358721 218291694 /nfs/dbraw/zinc/29/16/94/218291694.db2.gz JKVCYMOKLSHOAT-AZUAARDMSA-N 1 1 337.467 3.184 50 0 EGAAMO Cc1nccn1-c1ccc(CNC(=O)CC[C@@H]2CCCC[N@@H+]2C)cc1 ZINC000095375750 218309414 /nfs/dbraw/zinc/30/94/14/218309414.db2.gz VTWFZNJUDQHZLR-SFHVURJKSA-N 1 1 340.471 3.061 50 0 EGAAMO Cc1ncsc1CCN(C)C(=O)[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC000095377830 218310083 /nfs/dbraw/zinc/31/00/83/218310083.db2.gz QJLOXFDVCCUGOR-QGZVFWFLSA-N 1 1 331.485 3.064 50 0 EGAAMO CCc1nc(C)c(CNC(=O)[C@H]2CCC[N@H+](C3CCCC3)C2)s1 ZINC000095377986 218310480 /nfs/dbraw/zinc/31/04/80/218310480.db2.gz SLGYJDNEIVSQEV-AWEZNQCLSA-N 1 1 335.517 3.285 50 0 EGAAMO Cc1ccc2ncccc2c1CNC(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000095390539 218322860 /nfs/dbraw/zinc/32/28/60/218322860.db2.gz BSYHCAHOKNQFFX-INIZCTEOSA-N 1 1 325.456 3.424 50 0 EGAAMO CCOc1cccc(OCC[N@H+]2CC[C@](O)(c3ccccc3)C2)c1 ZINC000299779460 258088787 /nfs/dbraw/zinc/08/87/87/258088787.db2.gz OCWVPZKOYASCOW-HXUWFJFHSA-N 1 1 327.424 3.058 50 0 EGAAMO COCc1cc(C[N@H+]2CC[C@]3(OC)CC[C@H](OC)C[C@H]23)ccc1OC ZINC000299787555 258094462 /nfs/dbraw/zinc/09/44/62/258094462.db2.gz PCZYYLVQYFGCNZ-YSIASYRMSA-N 1 1 349.471 3.000 50 0 EGAAMO Cc1cccc(-c2nc(CNC(=O)[C@@]3(C)CC[N@H+](C)C3)cs2)c1 ZINC000299799329 258103186 /nfs/dbraw/zinc/10/31/86/258103186.db2.gz QSYQBEQYBUBZHF-SFHVURJKSA-N 1 1 329.469 3.077 50 0 EGAAMO CO[C@]12CC[N@@H+](Cc3cc(C4CCCCC4)no3)[C@H]1C[C@@H](O)CC2 ZINC000299760825 258078178 /nfs/dbraw/zinc/07/81/78/258078178.db2.gz XLPHFZOZGDJZLS-ZYSHUDEJSA-N 1 1 334.460 3.227 50 0 EGAAMO Nc1nc(NC2(c3ccccc3Cl)CC2)cc([C@H]2CCOC2)[nH+]1 ZINC000299762110 258078521 /nfs/dbraw/zinc/07/85/21/258078521.db2.gz VWSYUKLJPBDGNZ-NSHDSACASA-N 1 1 330.819 3.317 50 0 EGAAMO Cc1ccc(N2C(=O)C[C@@H]([N@H+]3CCC[C@H]4CCCC[C@@H]43)C2=O)cc1 ZINC000004018778 292127128 /nfs/dbraw/zinc/12/71/28/292127128.db2.gz NZUUPLWSKJXMDC-BPQIPLTHSA-N 1 1 326.440 3.282 50 0 EGAAMO Cc1ccc2c(c1)C1=C(CO2)[C@H](c2ccc(F)cc2)N2NC=NC2=[NH+]1 ZINC000005562442 281051073 /nfs/dbraw/zinc/05/10/73/281051073.db2.gz IKWMKPPIJWJKGA-SFHVURJKSA-N 1 1 334.354 3.197 50 0 EGAAMO Cc1[nH+]cn(CC(=O)N(C)C[C@]2(c3ccccc3)CC2(C)C)c1C ZINC000240228073 455263862 /nfs/dbraw/zinc/26/38/62/455263862.db2.gz KFSKVZLJHDGJMA-FQEVSTJZSA-N 1 1 325.456 3.326 50 0 EGAAMO C[C@@H]1CCC[N@@H+](CCC(=O)N(C)C[C@H]2CCN(c3ccccc3)C2)C1 ZINC000244678900 455276076 /nfs/dbraw/zinc/27/60/76/455276076.db2.gz ILZRYQYMGSQCGN-RTBURBONSA-N 1 1 343.515 3.093 50 0 EGAAMO CCOC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2Br)C1 ZINC000000237232 452542817 /nfs/dbraw/zinc/54/28/17/452542817.db2.gz CYBHGRMOUGHKPK-ZDUSSCGKSA-N 1 1 326.234 3.224 50 0 EGAAMO Cc1c(Cl)cccc1NC(=O)CC[N@@H+](CCO)Cc1ccccc1 ZINC000002765278 452720310 /nfs/dbraw/zinc/72/03/10/452720310.db2.gz HCVYPVGKIRYEMX-UHFFFAOYSA-N 1 1 346.858 3.472 50 0 EGAAMO CC[NH+]1CCN(c2c(Cl)cccc2NC(=O)c2cccnc2)CC1 ZINC000004736772 452814319 /nfs/dbraw/zinc/81/43/19/452814319.db2.gz WAPJGIIXPDNIQG-UHFFFAOYSA-N 1 1 344.846 3.129 50 0 EGAAMO C/C(=C\c1ccccc1)[C@H]1Nc2sc3c(c2C(=O)N1)CC[N@@H+](C)C3 ZINC000005274695 452855536 /nfs/dbraw/zinc/85/55/36/452855536.db2.gz QHXMTDKNPIEGGR-DPCFLFMUSA-N 1 1 339.464 3.321 50 0 EGAAMO C/C(=C\c1ccccc1)[C@H]1Nc2sc3c(c2C(=O)N1)CC[N@H+](C)C3 ZINC000005274695 452855551 /nfs/dbraw/zinc/85/55/51/452855551.db2.gz QHXMTDKNPIEGGR-DPCFLFMUSA-N 1 1 339.464 3.321 50 0 EGAAMO O=C(Nc1ccccc1F)N1CC[NH+](CCc2ccccc2)CC1 ZINC000006725744 452977330 /nfs/dbraw/zinc/97/73/30/452977330.db2.gz SMIRCLIFGCVAAT-UHFFFAOYSA-N 1 1 327.403 3.218 50 0 EGAAMO COc1ccc(-c2nc(C[N@H+]3CCC[C@H]3CO)c(C)o2)c(C)c1C ZINC000015076671 453554487 /nfs/dbraw/zinc/55/44/87/453554487.db2.gz BMCXALOEFCCQKK-HNNXBMFYSA-N 1 1 330.428 3.232 50 0 EGAAMO COc1ccc(C[N@H+]2CCC[C@H]2CO)cc1OCc1ccccc1 ZINC000023280015 453708461 /nfs/dbraw/zinc/70/84/61/453708461.db2.gz MQKCDDJJTWYELB-SFHVURJKSA-N 1 1 327.424 3.231 50 0 EGAAMO CCCc1cc(C(=O)NC[C@@H](c2ccc(F)cc2)[NH+]2CCCC2)no1 ZINC000082115508 453924580 /nfs/dbraw/zinc/92/45/80/453924580.db2.gz OFHYYDWLWNGLEJ-SFHVURJKSA-N 1 1 345.418 3.333 50 0 EGAAMO CSc1ccc(CN2CC[N@@H+](C3CCCC3)[C@H](CCO)C2)cc1 ZINC000036385639 453927849 /nfs/dbraw/zinc/92/78/49/453927849.db2.gz CKFPJEAXCARGJQ-GOSISDBHSA-N 1 1 334.529 3.220 50 0 EGAAMO C[C@@H](Cc1ccc2c(c1)OCO2)c1[nH+]ccn1CCCn1ccnc1 ZINC000067724013 453960795 /nfs/dbraw/zinc/96/07/95/453960795.db2.gz VTDHRYLCGACJQM-HNNXBMFYSA-N 1 1 338.411 3.245 50 0 EGAAMO Cc1ccc(-c2cc(C(=O)NC[C@@H](c3ccco3)[NH+](C)C)[nH]n2)cc1 ZINC000055172710 453967330 /nfs/dbraw/zinc/96/73/30/453967330.db2.gz AAZFGEJHWRNFNY-KRWDZBQOSA-N 1 1 338.411 3.011 50 0 EGAAMO Cc1ccccc1-c1c[nH]nc1C1CCN(c2cc(N)[nH+]cn2)CC1 ZINC000067851296 453972744 /nfs/dbraw/zinc/97/27/44/453972744.db2.gz YSUHFSOLMOEUND-UHFFFAOYSA-N 1 1 334.427 3.141 50 0 EGAAMO O=C(OC1CCCC1)N1CC[N@@H+](C2CC2)C[C@H]1Cc1ccccc1 ZINC000085472695 454030844 /nfs/dbraw/zinc/03/08/44/454030844.db2.gz NDOYNSDAYKEDDU-GOSISDBHSA-N 1 1 328.456 3.457 50 0 EGAAMO O=C(OC1CCCC1)N1CC[N@H+](C2CC2)C[C@H]1Cc1ccccc1 ZINC000085472695 454030847 /nfs/dbraw/zinc/03/08/47/454030847.db2.gz NDOYNSDAYKEDDU-GOSISDBHSA-N 1 1 328.456 3.457 50 0 EGAAMO CC(C)n1ccnc1C[N@@H+]1CCC[C@]2(CCC(=O)N(CC3CC3)C2)C1 ZINC000077355414 454095945 /nfs/dbraw/zinc/09/59/45/454095945.db2.gz FWVJENOPAMVBCU-FQEVSTJZSA-N 1 1 344.503 3.079 50 0 EGAAMO CC(C)n1ccnc1C[N@H+]1CCC[C@]2(CCC(=O)N(CC3CC3)C2)C1 ZINC000077355414 454095949 /nfs/dbraw/zinc/09/59/49/454095949.db2.gz FWVJENOPAMVBCU-FQEVSTJZSA-N 1 1 344.503 3.079 50 0 EGAAMO Cc1ccc(C(=O)N(C)C[C@@H]2Cc3ccccc3C[N@H+]2C)c(F)c1 ZINC000077390938 454101243 /nfs/dbraw/zinc/10/12/43/454101243.db2.gz OAPLSJVAPNYXIP-KRWDZBQOSA-N 1 1 326.415 3.263 50 0 EGAAMO Cc1ccc(NCCCNC(=O)c2cc(-c3ccccc3)on2)[nH+]c1 ZINC000077436437 454105678 /nfs/dbraw/zinc/10/56/78/454105678.db2.gz SJDUIUVINLPLLU-UHFFFAOYSA-N 1 1 336.395 3.277 50 0 EGAAMO COc1cccc([C@H]2CCCCN2C(=O)CCn2cc[nH+]c2C)c1 ZINC000077505054 454115534 /nfs/dbraw/zinc/11/55/34/454115534.db2.gz BPSCWCDPWISEHE-GOSISDBHSA-N 1 1 327.428 3.344 50 0 EGAAMO COc1cc2c(cc1CNC(=O)[C@H](C)n1cc[nH+]c1C(C)C)CCC2 ZINC000095497943 454221170 /nfs/dbraw/zinc/22/11/70/454221170.db2.gz QOKHTZUFDWOBGC-AWEZNQCLSA-N 1 1 341.455 3.381 50 0 EGAAMO Cc1sc2ncnc(N3CCC[C@H](c4[nH+]ccn4C)C3)c2c1C ZINC000095501025 454221960 /nfs/dbraw/zinc/22/19/60/454221960.db2.gz CSCQJOYATXQFLR-ZDUSSCGKSA-N 1 1 327.457 3.426 50 0 EGAAMO Cc1nc(CCCNC(=O)[C@@H](C)n2cc[nH+]c2C(C)C)sc1C ZINC000095511156 454224931 /nfs/dbraw/zinc/22/49/31/454224931.db2.gz RBXFPBHYTHVWOO-CYBMUJFWSA-N 1 1 334.489 3.390 50 0 EGAAMO Cc1ccsc1C[N@H+]1C[C@H]2CC[C@@H](C1)C(=O)N2Cc1ccccn1 ZINC000091254291 454419719 /nfs/dbraw/zinc/41/97/19/454419719.db2.gz VGUBBLGXQIZNHV-DOTOQJQBSA-N 1 1 341.480 3.075 50 0 EGAAMO CCn1ccnc1[C@@H]1CCC[N@@H+](CCC(=O)NC2CCCCCC2)C1 ZINC000092022521 454505502 /nfs/dbraw/zinc/50/55/02/454505502.db2.gz SITFRXFZFWXIBF-QGZVFWFLSA-N 1 1 346.519 3.312 50 0 EGAAMO Cc1nn(CC[NH+]2CCCC2)cc1CN1CCC[C@H]1c1ccccn1 ZINC000065453627 454569704 /nfs/dbraw/zinc/56/97/04/454569704.db2.gz CMJXKJFKSDNHQN-FQEVSTJZSA-N 1 1 339.487 3.019 50 0 EGAAMO CC[N@@H+]1CCc2ncnc(N(C)Cc3nc4ccccc4s3)c2C1 ZINC000065512487 454580398 /nfs/dbraw/zinc/58/03/98/454580398.db2.gz BSKNQFGXKBXLKB-UHFFFAOYSA-N 1 1 339.468 3.101 50 0 EGAAMO CC[N@H+]1CCc2ncnc(N(C)Cc3nc4ccccc4s3)c2C1 ZINC000065512487 454580400 /nfs/dbraw/zinc/58/04/00/454580400.db2.gz BSKNQFGXKBXLKB-UHFFFAOYSA-N 1 1 339.468 3.101 50 0 EGAAMO Cc1c2ccc(C)cc2oc1C(=O)NC[C@H](c1ccccn1)[NH+](C)C ZINC000065525560 454584271 /nfs/dbraw/zinc/58/42/71/454584271.db2.gz URWRHFYBECZMEN-QGZVFWFLSA-N 1 1 337.423 3.477 50 0 EGAAMO CC(C)=CC[N@H+]1CCN(c2nc3ccccc3s2)C[C@H]1CCO ZINC000106962297 454736946 /nfs/dbraw/zinc/73/69/46/454736946.db2.gz OCJOUNSFLZFCQE-OAHLLOKOSA-N 1 1 331.485 3.136 50 0 EGAAMO C[C@@H]1C[N@@H+](C)CCCN1Cc1cnc(SCc2ccccc2)nc1 ZINC000215084213 456025608 /nfs/dbraw/zinc/02/56/08/456025608.db2.gz UTODSWFRCIKIRA-MRXNPFEDSA-N 1 1 342.512 3.295 50 0 EGAAMO Cc1ccc2ncccc2c1C[N@H+]1CCCC[C@@H]1CN1CCOCC1 ZINC000215385870 456026260 /nfs/dbraw/zinc/02/62/60/456026260.db2.gz HXIFJHVNVSZCSH-GOSISDBHSA-N 1 1 339.483 3.230 50 0 EGAAMO c1ccc(CO[C@@H]2COCC[C@H]2Nc2[nH+]ccc3ccccc32)nc1 ZINC000218873641 456035332 /nfs/dbraw/zinc/03/53/32/456035332.db2.gz TXBTXIDMTBQWQL-RTBURBONSA-N 1 1 335.407 3.416 50 0 EGAAMO Cc1[nH+]cn(CCNC(=O)[C@]2(c3ccccc3F)CC2(C)C)c1C ZINC000426414850 457825646 /nfs/dbraw/zinc/82/56/46/457825646.db2.gz VOHROMGAAHYQJO-LJQANCHMSA-N 1 1 329.419 3.123 50 0 EGAAMO CCC[N@H+]1CC[C@H](CNC(=O)N(C)Cc2cc3cc(F)ccc3[nH]2)C1 ZINC000534655215 459342829 /nfs/dbraw/zinc/34/28/29/459342829.db2.gz IDJRNOFJEZBGGX-CQSZACIVSA-N 1 1 346.450 3.180 50 0 EGAAMO Cc1ccc(Nc2nc(N)nc(C[NH+]3CCCCCC3)n2)c(C)c1 ZINC000001287761 471385148 /nfs/dbraw/zinc/38/51/48/471385148.db2.gz XHOVLENLNHKFLW-UHFFFAOYSA-N 1 1 326.448 3.190 50 0 EGAAMO CCC[C@@]1(CO)CCC[N@@H+](Cc2cnn(-c3cccc(F)c3)c2)C1 ZINC000091779828 520958854 /nfs/dbraw/zinc/95/88/54/520958854.db2.gz YPDNVXZPMLGYCL-LJQANCHMSA-N 1 1 331.435 3.386 50 0 EGAAMO CCc1cccc(C)c1NC(=O)CC[N@@H+](C)CCc1c(C)n[nH]c1C ZINC000244690974 535860919 /nfs/dbraw/zinc/86/09/19/535860919.db2.gz JAHZZRLSBZEXAO-UHFFFAOYSA-N 1 1 342.487 3.400 50 0 EGAAMO COc1cccc([C@@H]2CC[N@@H+]2Cc2cnc(-c3ccccn3)nc2)c1 ZINC000216071537 537139272 /nfs/dbraw/zinc/13/92/72/537139272.db2.gz MFQWTSGVPKLWKA-IBGZPJMESA-N 1 1 332.407 3.494 50 0 EGAAMO COc1cccc([C@@H]2CC[N@H+]2Cc2cnc(-c3ccccn3)nc2)c1 ZINC000216071537 537139276 /nfs/dbraw/zinc/13/92/76/537139276.db2.gz MFQWTSGVPKLWKA-IBGZPJMESA-N 1 1 332.407 3.494 50 0 EGAAMO C[C@@H]1C[C@H](NCc2ccc3c(c2)OCCO3)C[N@@H+]1Cc1ccccc1 ZINC000237494432 547257471 /nfs/dbraw/zinc/25/74/71/547257471.db2.gz MIXXOAYDBCWWDA-APWZRJJASA-N 1 1 338.451 3.210 50 0 EGAAMO C[C@@H]1C[C@H](NCc2ccc3c(c2)OCCO3)C[N@H+]1Cc1ccccc1 ZINC000237494432 547257477 /nfs/dbraw/zinc/25/74/77/547257477.db2.gz MIXXOAYDBCWWDA-APWZRJJASA-N 1 1 338.451 3.210 50 0 EGAAMO COc1ccc(C(=O)NCC[N@H+]2CCC[C@H](c3ccccc3)C2)cc1 ZINC000670439873 548216316 /nfs/dbraw/zinc/21/63/16/548216316.db2.gz AGDSFCXNBATXKT-IBGZPJMESA-N 1 1 338.451 3.305 50 0 EGAAMO CC[C@@H](CO)[N@@H+](Cc1cccc(-n2cccn2)c1)Cc1ccccn1 ZINC000055199145 1291776771 /nfs/dbraw/zinc/77/67/71/1291776771.db2.gz QHQPJXABZVNVHU-IBGZPJMESA-N 1 1 336.439 3.040 50 0 EGAAMO CC(C)C[C@H](Nc1nc(N2CCC(O)CC2)cc[nH+]1)c1cccnc1 ZINC000065506826 1292080581 /nfs/dbraw/zinc/08/05/81/1292080581.db2.gz YLCDNUICJBIKMB-KRWDZBQOSA-N 1 1 341.459 3.032 50 0 EGAAMO CC(C)[C@H]1c2[nH]cnc2CC[N@@H+]1Cc1cc2ccccc2n(C)c1=O ZINC000067677752 1292167191 /nfs/dbraw/zinc/16/71/91/1292167191.db2.gz CYNOHJGZIIGVCL-IBGZPJMESA-N 1 1 336.439 3.017 50 0 EGAAMO CC(C)[C@@H]1c2[nH]cnc2CC[N@@H+]1Cc1cc2ccccc2n(C)c1=O ZINC000067677750 1292167204 /nfs/dbraw/zinc/16/72/04/1292167204.db2.gz CYNOHJGZIIGVCL-LJQANCHMSA-N 1 1 336.439 3.017 50 0 EGAAMO Cc1ccc(NC(=O)C[NH+]2CCC(O)(c3ccccc3)CC2)cc1C ZINC000185510069 1295267376 /nfs/dbraw/zinc/26/73/76/1295267376.db2.gz UFULAIXADPGTPJ-UHFFFAOYSA-N 1 1 338.451 3.226 50 0 EGAAMO COCCn1cnnc1[C@@H](C)[NH2+]Cc1ccc(-c2ccccc2)cc1 ZINC000952861106 1334582973 /nfs/dbraw/zinc/58/29/73/1334582973.db2.gz DDCDQRDYBWMCFT-MRXNPFEDSA-N 1 1 336.439 3.442 50 0 EGAAMO O[C@H]1C[N@@H+](Cc2ccc(C(F)(F)F)cc2)C[C@H]1Cc1ccncc1 ZINC001704336199 1416448414 /nfs/dbraw/zinc/44/84/14/1416448414.db2.gz GPKNEKQZXMHNKE-WBVHZDCISA-N 1 1 336.357 3.136 50 0 EGAAMO CC[N@H+]1CCCC[C@H]1CNc1nnc(CSc2ccncc2)o1 ZINC001772808107 1441417399 /nfs/dbraw/zinc/41/73/99/1441417399.db2.gz ZFTNAXKUQVRAOM-ZDUSSCGKSA-N 1 1 333.461 3.043 50 0 EGAAMO CC[C@@H](CO)[N@@H+](Cc1ccco1)Cc1ccc(OC)c(COC)c1 ZINC000055036215 214264887 /nfs/dbraw/zinc/26/48/87/214264887.db2.gz BEYPXMGFPZYXFR-KRWDZBQOSA-N 1 1 333.428 3.208 50 0 EGAAMO CC[C@H](CO)[N@H+](Cc1cccnc1)Cc1ccc(C(F)(F)F)nc1 ZINC000055108522 214274900 /nfs/dbraw/zinc/27/49/00/214274900.db2.gz YPFWEIRFBPWYPR-OAHLLOKOSA-N 1 1 339.361 3.269 50 0 EGAAMO CC[C@H](CO)[N@@H+](Cc1cccnc1)Cc1ccc(C(F)(F)F)nc1 ZINC000055108522 214274903 /nfs/dbraw/zinc/27/49/03/214274903.db2.gz YPFWEIRFBPWYPR-OAHLLOKOSA-N 1 1 339.361 3.269 50 0 EGAAMO CC[C@@H](CO)[N@@H+](Cc1ccco1)Cc1ccc(-n2cccn2)cc1 ZINC000055212076 214289439 /nfs/dbraw/zinc/28/94/39/214289439.db2.gz NIVZODQEBNWBBE-KRWDZBQOSA-N 1 1 325.412 3.238 50 0 EGAAMO COc1cc2c(cc1C[N@@H+](CCCO)Cc1ccc(C)s1)OCO2 ZINC000055269669 214297953 /nfs/dbraw/zinc/29/79/53/214297953.db2.gz RDVDOZAJLSWOQZ-UHFFFAOYSA-N 1 1 349.452 3.178 50 0 EGAAMO Cc1ccc(CNc2ccc(C(=O)N(C)[C@@H]3CC[N@@H+](C)C3)cc2)cc1 ZINC000055414178 214322533 /nfs/dbraw/zinc/32/25/33/214322533.db2.gz VJFOWVFDMUGMKN-HXUWFJFHSA-N 1 1 337.467 3.383 50 0 EGAAMO COCc1cc(C[N@H+](C)Cc2cnc3ccccc3n2)ccc1OC ZINC000097797599 219058065 /nfs/dbraw/zinc/05/80/65/219058065.db2.gz WCZAKSKCKOVJQW-UHFFFAOYSA-N 1 1 337.423 3.417 50 0 EGAAMO COCc1cc(C[N@@H+](C)Cc2cnc3ccccc3n2)ccc1OC ZINC000097797599 219058068 /nfs/dbraw/zinc/05/80/68/219058068.db2.gz WCZAKSKCKOVJQW-UHFFFAOYSA-N 1 1 337.423 3.417 50 0 EGAAMO CCCCN1C(=O)C[C@@H](Nc2ccc([NH+]3CCCCC3)cc2)C1=O ZINC000101373288 219124814 /nfs/dbraw/zinc/12/48/14/219124814.db2.gz PHJDIDRRGPXIQM-QGZVFWFLSA-N 1 1 329.444 3.016 50 0 EGAAMO C[N@@H+](C[C@H](O)COc1ccc(Br)cc1)C1CCCCC1 ZINC000004279529 210159228 /nfs/dbraw/zinc/15/92/28/210159228.db2.gz VMQJVBWPVQEVIE-HNNXBMFYSA-N 1 1 342.277 3.453 50 0 EGAAMO CC(C)c1[nH+]ccn1[C@@H](C)C(=O)N(C)Cc1[nH]nc2c1CCCCC2 ZINC000067588730 215166044 /nfs/dbraw/zinc/16/60/44/215166044.db2.gz MHKORKBSZWJDBF-AWEZNQCLSA-N 1 1 343.475 3.218 50 0 EGAAMO CC(C)[N@H+]1CCC[C@H](CCNC(=O)c2coc3c2C(=O)CCC3)C1 ZINC000067587348 215164569 /nfs/dbraw/zinc/16/45/69/215164569.db2.gz CRUSOMACKQCPRG-CQSZACIVSA-N 1 1 332.444 3.039 50 0 EGAAMO O=C(C[NH+]1CCCCCC1)N1CCC[C@@H]1c1nc2ccc(F)cc2[nH]1 ZINC000067739785 215199747 /nfs/dbraw/zinc/19/97/47/215199747.db2.gz MFYPLLJEGLFEOR-QGZVFWFLSA-N 1 1 344.434 3.242 50 0 EGAAMO CCc1[nH+]ccn1Cc1nc(-c2cc3c(c(OC)c2)OCO3)oc1C ZINC000067743416 215200076 /nfs/dbraw/zinc/20/00/76/215200076.db2.gz WHWCCNJNZUDBMP-UHFFFAOYSA-N 1 1 341.367 3.195 50 0 EGAAMO Cc1oc(-c2cccc(Cl)c2)nc1C[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000067769701 215207871 /nfs/dbraw/zinc/20/78/71/215207871.db2.gz PSBAKBPKHKXPFU-ZDUSSCGKSA-N 1 1 333.819 3.001 50 0 EGAAMO Cc1ccccc1-c1ccccc1C(=O)NCC[C@@H]1C[N@H+](C)CCO1 ZINC000067850678 215229958 /nfs/dbraw/zinc/22/99/58/215229958.db2.gz RSJDDPKBOZHQDS-QGZVFWFLSA-N 1 1 338.451 3.113 50 0 EGAAMO Cc1ccccc1-c1ccccc1C(=O)NCC[C@@H]1C[N@@H+](C)CCO1 ZINC000067850678 215229961 /nfs/dbraw/zinc/22/99/61/215229961.db2.gz RSJDDPKBOZHQDS-QGZVFWFLSA-N 1 1 338.451 3.113 50 0 EGAAMO CC(C)c1[nH+]ccn1CCCNC(=O)c1ccc(-c2ccncc2)nc1 ZINC000067946604 215255716 /nfs/dbraw/zinc/25/57/16/215255716.db2.gz NOBSTYQHQLHZMI-UHFFFAOYSA-N 1 1 349.438 3.284 50 0 EGAAMO Cc1nc(CC(=O)NCc2ccccc2-n2cc[nH+]c2C)c(C)s1 ZINC000067920054 215250304 /nfs/dbraw/zinc/25/03/04/215250304.db2.gz XQNWPJOQDNLXSM-UHFFFAOYSA-N 1 1 340.452 3.113 50 0 EGAAMO CC(C)CC[N@H+]1CCN(Cc2cc3ccccc3o2)C[C@H]1CCO ZINC000104492189 219390384 /nfs/dbraw/zinc/39/03/84/219390384.db2.gz SPCPFVGAGWXOLS-GOSISDBHSA-N 1 1 330.472 3.348 50 0 EGAAMO C[NH+]1CCN(C(=O)N2CCCC[C@@H](c3ccc(Cl)cc3)C2)CC1 ZINC000206882006 282898061 /nfs/dbraw/zinc/89/80/61/282898061.db2.gz VIBCWYYEADHQOB-MRXNPFEDSA-N 1 1 335.879 3.277 50 0 EGAAMO CN1CCN([C@H]2CC[N@@H+](Cc3ccc(-c4ccccc4)cc3)C2)CC1 ZINC000035813016 213050245 /nfs/dbraw/zinc/05/02/45/213050245.db2.gz DYXAUOVESIOYIU-QFIPXVFZSA-N 1 1 335.495 3.175 50 0 EGAAMO CCc1ncc(C[NH+]2CCC(Oc3ccc(OC)cc3)CC2)cn1 ZINC000072124126 216016703 /nfs/dbraw/zinc/01/67/03/216016703.db2.gz CRQISEHQMDJIQJ-UHFFFAOYSA-N 1 1 327.428 3.091 50 0 EGAAMO COc1cccc([C@H]2C[N@@H+](Cc3ccncc3)[C@H]3[C@@H]2N2CCC3CC2)c1 ZINC000072139083 216026677 /nfs/dbraw/zinc/02/66/77/216026677.db2.gz MXNRZKJXSRSLHX-YPAWHYETSA-N 1 1 349.478 3.152 50 0 EGAAMO COc1cccc([C@H]2CN(Cc3ccncc3)[C@H]3[C@@H]2[NH+]2CCC3CC2)c1 ZINC000072139083 216026679 /nfs/dbraw/zinc/02/66/79/216026679.db2.gz MXNRZKJXSRSLHX-YPAWHYETSA-N 1 1 349.478 3.152 50 0 EGAAMO Fc1ccccc1C[N@H+]1CCC[C@@]2(CCN(c3ncccn3)C2)C1 ZINC000072143529 216028975 /nfs/dbraw/zinc/02/89/75/216028975.db2.gz IIVGZEDTZBSXKY-LJQANCHMSA-N 1 1 326.419 3.108 50 0 EGAAMO COc1cc(F)c(CN(C)C[C@@H]2CCC[N@H+](C(C)C)C2)cc1OC ZINC000072168358 216058793 /nfs/dbraw/zinc/05/87/93/216058793.db2.gz OAVNGFOSMVGMPT-HNNXBMFYSA-N 1 1 338.467 3.395 50 0 EGAAMO CCC[N@H+]1CC2(C[C@H]1C(=O)[O-])CC[NH+](Cc1cccc(C)c1)CC2 ZINC000072429798 216222060 /nfs/dbraw/zinc/22/20/60/216222060.db2.gz SEHGMMCBILQDTQ-SFHVURJKSA-N 1 1 330.472 3.146 50 0 EGAAMO COc1cc(C)c(CN2CC[N@@H+](CC(C)(C)C)[C@@H](CCO)C2)cc1C ZINC000022919994 212334874 /nfs/dbraw/zinc/33/48/74/212334874.db2.gz ZLWAVTPYVYWVDE-IBGZPJMESA-N 1 1 348.531 3.227 50 0 EGAAMO CCn1nc(CO)c2c1CC[N@H+](Cc1cc3ccccc3s1)C2 ZINC000214967538 241101209 /nfs/dbraw/zinc/10/12/09/241101209.db2.gz INOIQOLNKWAINM-UHFFFAOYSA-N 1 1 327.453 3.168 50 0 EGAAMO CCn1nc(CO)c2c1CC[N@@H+](Cc1cc3ccccc3s1)C2 ZINC000214967538 241101218 /nfs/dbraw/zinc/10/12/18/241101218.db2.gz INOIQOLNKWAINM-UHFFFAOYSA-N 1 1 327.453 3.168 50 0 EGAAMO COc1cc(F)c(CN2CC[N@@H+](C)[C@@H](c3ccccc3)C2)cc1OC ZINC000215766702 241145160 /nfs/dbraw/zinc/14/51/60/241145160.db2.gz UWUKUXAOAWFCGM-GOSISDBHSA-N 1 1 344.430 3.332 50 0 EGAAMO CN(Cc1cnc(-c2ccco2)nc1)Cc1ccc2c(c1)C[N@H+](C)C2 ZINC000215809139 241147398 /nfs/dbraw/zinc/14/73/98/241147398.db2.gz FVQOAKSUVNCKCQ-UHFFFAOYSA-N 1 1 334.423 3.314 50 0 EGAAMO C[N@@H+](CCn1ccnc1)Cc1c(-c2ccccc2)nc2ccccn21 ZINC000216196492 241170297 /nfs/dbraw/zinc/17/02/97/241170297.db2.gz DPBCDTXCNZWHSY-UHFFFAOYSA-N 1 1 331.423 3.330 50 0 EGAAMO Cc1nc(C2CC[NH+](Cc3cnc(-c4cccs4)nc3)CC2)no1 ZINC000216263675 241177399 /nfs/dbraw/zinc/17/73/99/241177399.db2.gz ZOGPROGULZMNDP-UHFFFAOYSA-N 1 1 341.440 3.276 50 0 EGAAMO Cc1nnc([C@@H]2CCC[N@@H+](Cc3ccc4c(c3)CC(C)(C)O4)C2)[nH]1 ZINC000216352256 241185832 /nfs/dbraw/zinc/18/58/32/241185832.db2.gz CDWWWCQCSSNDIK-OAHLLOKOSA-N 1 1 326.444 3.206 50 0 EGAAMO Cc1n[nH]c([C@@H]2CCC[N@H+](Cc3ccc4c(c3)CC(C)(C)O4)C2)n1 ZINC000216352256 241185837 /nfs/dbraw/zinc/18/58/37/241185837.db2.gz CDWWWCQCSSNDIK-OAHLLOKOSA-N 1 1 326.444 3.206 50 0 EGAAMO Cc1n[nH]c([C@@H]2CCC[N@@H+](Cc3ccc4c(c3)CC(C)(C)O4)C2)n1 ZINC000216352256 241185842 /nfs/dbraw/zinc/18/58/42/241185842.db2.gz CDWWWCQCSSNDIK-OAHLLOKOSA-N 1 1 326.444 3.206 50 0 EGAAMO Cc1nc([C@@H]2CCC[N@H+](Cc3ccc4c(c3)CC(C)(C)O4)C2)n[nH]1 ZINC000216352256 241185848 /nfs/dbraw/zinc/18/58/48/241185848.db2.gz CDWWWCQCSSNDIK-OAHLLOKOSA-N 1 1 326.444 3.206 50 0 EGAAMO Cc1nc([C@@H]2CCC[N@@H+](Cc3ccc4c(c3)CC(C)(C)O4)C2)n[nH]1 ZINC000216352256 241185855 /nfs/dbraw/zinc/18/58/55/241185855.db2.gz CDWWWCQCSSNDIK-OAHLLOKOSA-N 1 1 326.444 3.206 50 0 EGAAMO Fc1ccc(C[N@H+]2CCc3nnc(-c4ccccc4)n3CC2)c(F)c1 ZINC000020999599 212198298 /nfs/dbraw/zinc/19/82/98/212198298.db2.gz KZUQSOPMAVJYCO-UHFFFAOYSA-N 1 1 340.377 3.282 50 0 EGAAMO Fc1ccc(C[N@@H+]2CCc3nnc(-c4ccccc4)n3CC2)c(F)c1 ZINC000020999599 212198301 /nfs/dbraw/zinc/19/83/01/212198301.db2.gz KZUQSOPMAVJYCO-UHFFFAOYSA-N 1 1 340.377 3.282 50 0 EGAAMO CCC[N@@H+](Cc1cc2ccccc2n(C)c1=O)[C@@H]1CCCC[C@H]1O ZINC000244690978 243057684 /nfs/dbraw/zinc/05/76/84/243057684.db2.gz JAILDXALVWDZQU-RTBURBONSA-N 1 1 328.456 3.054 50 0 EGAAMO CCn1ccc(C[N@H+]2CCC[C@@H](c3nc(-c4ccccc4)no3)C2)n1 ZINC000244735118 243071891 /nfs/dbraw/zinc/07/18/91/243071891.db2.gz NTDGHGXVQXGORO-MRXNPFEDSA-N 1 1 337.427 3.333 50 0 EGAAMO NC(=O)c1ccc(OCCC[N@H+]2CCCC[C@@H]2c2ccccn2)cc1 ZINC000252481559 243769932 /nfs/dbraw/zinc/76/99/32/243769932.db2.gz COBUDGNWBWSZRD-LJQANCHMSA-N 1 1 339.439 3.177 50 0 EGAAMO COc1ccc(C)cc1NC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020357192 212122236 /nfs/dbraw/zinc/12/22/36/212122236.db2.gz GCHALHFWFHXICL-UHFFFAOYSA-N 1 1 339.439 3.353 50 0 EGAAMO CCc1cc(OCCOCC[NH+]2C[C@H](C)O[C@@H](C)C2)ccc1Cl ZINC000020168185 212108470 /nfs/dbraw/zinc/10/84/70/212108470.db2.gz YPMXSNJIRXONQM-GJZGRUSLSA-N 1 1 341.879 3.407 50 0 EGAAMO COc1ccc(C[N@H+]2CCC[C@@H](c3n[nH]cc3C)C2)c(OC)c1OC ZINC000020109546 212102406 /nfs/dbraw/zinc/10/24/06/212102406.db2.gz ONOFBWYTZFCIRJ-CQSZACIVSA-N 1 1 345.443 3.124 50 0 EGAAMO CC[NH+]1CCN(C(=O)CCCOc2ccc(Cl)cc2Cl)CC1 ZINC000019939962 212088598 /nfs/dbraw/zinc/08/85/98/212088598.db2.gz OWXVYRSEWZHJEO-UHFFFAOYSA-N 1 1 345.270 3.317 50 0 EGAAMO CCn1cc(CN2CCC[C@@H]([N@@H+](C)CCc3ccccc3)C2)cn1 ZINC000019739591 212060272 /nfs/dbraw/zinc/06/02/72/212060272.db2.gz OIJBNFBAOJMNJL-HXUWFJFHSA-N 1 1 326.488 3.042 50 0 EGAAMO COc1ccc(-c2nc(C[N@H+]3CCCC[C@H]3CO)c(C)o2)cc1C ZINC000012072878 211286986 /nfs/dbraw/zinc/28/69/86/211286986.db2.gz UWWZSUNUZHATSQ-INIZCTEOSA-N 1 1 330.428 3.314 50 0 EGAAMO O=C(CC[C@H]1CCC[N@@H+](Cc2nc3c(s2)CCCC3)C1)NC1CC1 ZINC000011874625 211263506 /nfs/dbraw/zinc/26/35/06/211263506.db2.gz WFSIJGSAUMTTKH-CQSZACIVSA-N 1 1 347.528 3.293 50 0 EGAAMO CC(=O)c1cc(C[N@@H+]2CCC[C@@H](CCC(=O)NC3CC3)C2)cs1 ZINC000011879471 211263259 /nfs/dbraw/zinc/26/32/59/211263259.db2.gz OBMRAQSCIJXDBN-AWEZNQCLSA-N 1 1 334.485 3.222 50 0 EGAAMO CC(=O)c1cc(C[N@H+]2CCC[C@@H](CCC(=O)NC3CC3)C2)cs1 ZINC000011879471 211263261 /nfs/dbraw/zinc/26/32/61/211263261.db2.gz OBMRAQSCIJXDBN-AWEZNQCLSA-N 1 1 334.485 3.222 50 0 EGAAMO COCC[C@]1(O)CC[N@@H+](Cc2cccc3c(C)c(C)[nH]c32)C[C@H]1C ZINC000091518993 218017107 /nfs/dbraw/zinc/01/71/07/218017107.db2.gz USRFLTVMFWWIFR-JLTOFOAXSA-N 1 1 330.472 3.394 50 0 EGAAMO O=C(Cc1ccc(F)cc1)N1C[C@H]2CC[C@H](C[N@@H+]2CC2CCC2)C1 ZINC000091574172 218023405 /nfs/dbraw/zinc/02/34/05/218023405.db2.gz VIMXFCUEUSGEKM-IEBWSBKVSA-N 1 1 330.447 3.091 50 0 EGAAMO Cc1oc(-c2ccccc2C)nc1C[N@H+](C[C@H]1CCC(=O)N1)C(C)C ZINC000011818434 211252705 /nfs/dbraw/zinc/25/27/05/211252705.db2.gz QIVSSLREARTGIA-MRXNPFEDSA-N 1 1 341.455 3.447 50 0 EGAAMO C[N@H+]1CCCCC[C@@H]1C(=O)NCc1c[nH]nc1-c1ccc(Cl)cc1 ZINC000091907138 218087048 /nfs/dbraw/zinc/08/70/48/218087048.db2.gz OYSKRYDLOSKLLK-MRXNPFEDSA-N 1 1 346.862 3.221 50 0 EGAAMO Cc1nn(CCO)c(C)c1C[N@H+]1CCC[C@H](c2ccccc2)CC1 ZINC000093003657 218185156 /nfs/dbraw/zinc/18/51/56/218185156.db2.gz GSJDCAAOGHJVGC-IBGZPJMESA-N 1 1 327.472 3.262 50 0 EGAAMO Cc1noc(C)c1CN(C)C(=O)CC[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000095369744 218302170 /nfs/dbraw/zinc/30/21/70/218302170.db2.gz HYDIPGHPQDOFJX-FUHWJXTLSA-N 1 1 333.476 3.295 50 0 EGAAMO C[N@H+]1CCC[C@@H](CCC(=O)N2CCC(Oc3ccc(F)cc3)CC2)C1 ZINC000095373212 218305603 /nfs/dbraw/zinc/30/56/03/218305603.db2.gz NQCXEPFDXCZMRO-INIZCTEOSA-N 1 1 348.462 3.318 50 0 EGAAMO C[NH+](C)[C@H](C(=O)NCCCOC1CCCCC1)c1ccc(F)cc1 ZINC000095382576 218315003 /nfs/dbraw/zinc/31/50/03/218315003.db2.gz MQXXOXBWHZTYTL-SFHVURJKSA-N 1 1 336.451 3.284 50 0 EGAAMO Cc1ccc2ncccc2c1CNC(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000095390540 218322369 /nfs/dbraw/zinc/32/23/69/218322369.db2.gz BSYHCAHOKNQFFX-MRXNPFEDSA-N 1 1 325.456 3.424 50 0 EGAAMO Cc1cc(C[C@H](C)NC(=O)c2ccc(-c3ccc(C)[nH+]c3N)cc2)[nH]n1 ZINC000426690360 257958098 /nfs/dbraw/zinc/95/80/98/257958098.db2.gz VIGZCLFYUGZBGA-ZDUSSCGKSA-N 1 1 349.438 3.032 50 0 EGAAMO Cc1[nH+]cn(CCNC(=O)c2cc(C)nc3cc(Cl)ccc32)c1C ZINC000426478053 257967084 /nfs/dbraw/zinc/96/70/84/257967084.db2.gz RVQPUQCOANSUHI-UHFFFAOYSA-N 1 1 342.830 3.440 50 0 EGAAMO Cc1ccccc1C[N@H+]1CC[C@@H](CNC(=O)CCC(F)(F)F)C1 ZINC000299786541 258093600 /nfs/dbraw/zinc/09/36/00/258093600.db2.gz NBFBGDOKVHEREU-AWEZNQCLSA-N 1 1 328.378 3.276 50 0 EGAAMO C[C@H](CC[N@@H+]1CCC(=O)N(Cc2ccncc2)CC1)c1ccccc1 ZINC000299799191 258102825 /nfs/dbraw/zinc/10/28/25/258102825.db2.gz VQIBJCXXCUPTKD-GOSISDBHSA-N 1 1 337.467 3.310 50 0 EGAAMO CCn1ccc2c1cccc2C[N@H+]1CC[C@]2(OC)CC[C@@H](O)C[C@H]12 ZINC000299762580 258079662 /nfs/dbraw/zinc/07/96/62/258079662.db2.gz NVPJHEPEPPTVGF-LSTHTHJFSA-N 1 1 328.456 3.166 50 0 EGAAMO COc1cccc(N2CCN(C[C@@H]3CCC[N@H+]4CCCC[C@H]34)CC2)c1 ZINC000055154107 132194369 /nfs/dbraw/zinc/19/43/69/132194369.db2.gz XCLBPGNMUDWWEF-GHTZIAJQSA-N 1 1 343.515 3.082 50 0 EGAAMO COc1cccc(N2CC[NH+](C[C@@H]3CCCN4CCCC[C@H]34)CC2)c1 ZINC000055154107 132194370 /nfs/dbraw/zinc/19/43/70/132194370.db2.gz XCLBPGNMUDWWEF-GHTZIAJQSA-N 1 1 343.515 3.082 50 0 EGAAMO COc1ccc(OC)c(C[NH+]2CCN(c3ccc(F)cc3)CC2)c1 ZINC000055543025 132195568 /nfs/dbraw/zinc/19/55/68/132195568.db2.gz LOVRTWVLYGGGJQ-UHFFFAOYSA-N 1 1 330.403 3.165 50 0 EGAAMO O=C([C@@H]1CCCO1)N1CCC[N@@H+](Cc2cc3ccccc3s2)CC1 ZINC000372434623 157330410 /nfs/dbraw/zinc/33/04/10/157330410.db2.gz DGKDSPOQCPQKLB-KRWDZBQOSA-N 1 1 344.480 3.115 50 0 EGAAMO CCc1cccc(OCC[N@H+]2CCC[C@H](c3nnc4n3CCC4)C2)c1 ZINC000195520960 266187175 /nfs/dbraw/zinc/18/71/75/266187175.db2.gz NPIAMLAEJYNPGL-KRWDZBQOSA-N 1 1 340.471 3.045 50 0 EGAAMO c1cc(-c2noc3c2C[N@H+](C2CCSCC2)CC3)cc2c1OCO2 ZINC000012385530 275064073 /nfs/dbraw/zinc/06/40/73/275064073.db2.gz KOCPECQKLHCSBY-UHFFFAOYSA-N 1 1 344.436 3.324 50 0 EGAAMO CC[N@@H+](Cc1ccccc1OCCn1ccnc1)[C@@H]1CCCC[C@H]1O ZINC000215519219 279240984 /nfs/dbraw/zinc/24/09/84/279240984.db2.gz SFYANBBBBHZDIW-RTBURBONSA-N 1 1 343.471 3.088 50 0 EGAAMO Cc1ccc2c(C[NH+]3CCN(c4ccccn4)CC3)cc(=O)oc2c1C ZINC000006206877 452925191 /nfs/dbraw/zinc/92/51/91/452925191.db2.gz AUDDUZJVVFEFAW-UHFFFAOYSA-N 1 1 349.434 3.127 50 0 EGAAMO O=C(CCc1ccccc1)N[C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000012718854 453395003 /nfs/dbraw/zinc/39/50/03/453395003.db2.gz DZTCVSZKTZCFBR-OAQYLSRUSA-N 1 1 336.479 3.443 50 0 EGAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1sc(-c2ccc(F)cc2)nc1C ZINC000013691545 453482093 /nfs/dbraw/zinc/48/20/93/453482093.db2.gz ZAUBURQLZARCIU-OAHLLOKOSA-N 1 1 347.459 3.472 50 0 EGAAMO CC(C)C[N@H+]1CC[C@@H](CNC(=O)c2ccc(NC3CCCC3)nc2)C1 ZINC000014977476 453549562 /nfs/dbraw/zinc/54/95/62/453549562.db2.gz XAQWWSNUQIMFDQ-INIZCTEOSA-N 1 1 344.503 3.144 50 0 EGAAMO C[N@H+]1CCCC2(CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)CC1 ZINC000067434930 453931580 /nfs/dbraw/zinc/93/15/80/453931580.db2.gz WYTPPMWUPUGODF-CAOOACKPSA-N 1 1 348.512 3.185 50 0 EGAAMO CC(=O)NCC[C@@H]1CCCC[N@@H+]1Cc1cc2cc(F)ccc2n1C ZINC000077287840 454086669 /nfs/dbraw/zinc/08/66/69/454086669.db2.gz AIQMGPWVZLMJOB-KRWDZBQOSA-N 1 1 331.435 3.198 50 0 EGAAMO CCc1cc(C(=O)N2CCC[N@H+](Cc3cccnc3)CC2)cs1 ZINC000077299231 454087930 /nfs/dbraw/zinc/08/79/30/454087930.db2.gz QCPQIMFYISITQF-UHFFFAOYSA-N 1 1 329.469 3.054 50 0 EGAAMO CCc1cc(C(=O)N2CCC[N@@H+](Cc3cccnc3)CC2)cs1 ZINC000077299231 454087933 /nfs/dbraw/zinc/08/79/33/454087933.db2.gz QCPQIMFYISITQF-UHFFFAOYSA-N 1 1 329.469 3.054 50 0 EGAAMO Cc1cc(C(=O)N2CCCC[C@H]2c2ccc(C[NH+](C)C)cc2)n[nH]1 ZINC000077357738 454097115 /nfs/dbraw/zinc/09/71/15/454097115.db2.gz QTFFVCQWQKXTGM-SFHVURJKSA-N 1 1 326.444 3.147 50 0 EGAAMO C[N@@H+](Cc1cc(-c2ccccc2)n[nH]1)[C@H]1CCOC2(CCOCC2)C1 ZINC000077387884 454100931 /nfs/dbraw/zinc/10/09/31/454100931.db2.gz LAFJTAWDMAQAPJ-SFHVURJKSA-N 1 1 341.455 3.237 50 0 EGAAMO c1[nH]nc(C2CCCCC2)c1C[N@@H+]1CCCC[C@H]1CN1CCOCC1 ZINC000077408431 454102219 /nfs/dbraw/zinc/10/22/19/454102219.db2.gz HQMYCIBIDZZEKE-IBGZPJMESA-N 1 1 346.519 3.144 50 0 EGAAMO CN(C[C@@H]1Cc2ccccc2C[N@H+]1C)C(=O)c1cnc2ccccc2c1 ZINC000077406212 454102575 /nfs/dbraw/zinc/10/25/75/454102575.db2.gz ZQFORHOLQZYZSY-FQEVSTJZSA-N 1 1 345.446 3.364 50 0 EGAAMO CN(C)C(=O)COc1ccccc1C[N@H+]1C[C@H]2[C@@H](C1)C1CCC2CC1 ZINC000071765065 454216884 /nfs/dbraw/zinc/21/68/84/454216884.db2.gz KRYPIXKOYALEOI-JVPGXQPFSA-N 1 1 342.483 3.022 50 0 EGAAMO CSCc1ccc(C(=O)N2C[C@H]3CC[C@H](C[N@@H+]3CC3CC3)C2)o1 ZINC000095502362 454222629 /nfs/dbraw/zinc/22/26/29/454222629.db2.gz MYQAFAQRFASVFG-HUUCEWRRSA-N 1 1 334.485 3.089 50 0 EGAAMO Cc1nc2c(c(NCC[C@@H]3CCC[N@@H+]3C)n1)Cc1ccccc1OC2 ZINC000095521376 454226736 /nfs/dbraw/zinc/22/67/36/454226736.db2.gz NTQIXLYSIAEZBX-INIZCTEOSA-N 1 1 338.455 3.164 50 0 EGAAMO C[C@H](C[N@H+]1CCc2ccccc2C1)NC(=O)c1ccc2ccn(C)c2c1 ZINC000095523812 454227677 /nfs/dbraw/zinc/22/76/77/454227677.db2.gz PGDFGCJFRSYAGX-MRXNPFEDSA-N 1 1 347.462 3.355 50 0 EGAAMO CCc1nc(C)sc1C[N@H+]1CCCC[C@@H]1CCN1CCCC1=O ZINC000072127385 454272986 /nfs/dbraw/zinc/27/29/86/454272986.db2.gz OFJARVOGKSPAGH-OAHLLOKOSA-N 1 1 335.517 3.381 50 0 EGAAMO Cc1ccc2[nH]c(C[NH2+]Cc3cc(=O)c4cccc(F)c4[nH]3)nc2c1 ZINC000091270154 454420476 /nfs/dbraw/zinc/42/04/76/454420476.db2.gz HFNKZBVKJBBTJG-UHFFFAOYSA-N 1 1 336.370 3.142 50 0 EGAAMO Cc1ccc2nc(C[NH2+]Cc3cc(=O)c4cccc(F)c4[nH]3)[nH]c2c1 ZINC000091270154 454420481 /nfs/dbraw/zinc/42/04/81/454420481.db2.gz HFNKZBVKJBBTJG-UHFFFAOYSA-N 1 1 336.370 3.142 50 0 EGAAMO Cc1cccc(-c2n[nH]cc2C(=O)N2CC([N@@H+]3CCCC[C@H]3C)C2)c1 ZINC000097217563 454426146 /nfs/dbraw/zinc/42/61/46/454426146.db2.gz SYKDDGNJBFDFFA-OAHLLOKOSA-N 1 1 338.455 3.084 50 0 EGAAMO O=C(c1ccncc1)N1C[C@H]2CC[C@@H]1C[N@@H+](CCCc1ccccc1)C2 ZINC000091321904 454427225 /nfs/dbraw/zinc/42/72/25/454427225.db2.gz ORLXPUMTFSNWMH-PZJWPPBQSA-N 1 1 349.478 3.251 50 0 EGAAMO CC(=O)Nc1ccc(C[N@H+]2CC[C@@H](c3sccc3C)[C@H](O)C2)cc1 ZINC000065372872 454555045 /nfs/dbraw/zinc/55/50/45/454555045.db2.gz VNVKEMZLCMYBRA-QZTJIDSGSA-N 1 1 344.480 3.365 50 0 EGAAMO O=C(CCC1CCCC1)NCC1=CCC[N@@H+](Cc2ccccn2)C1 ZINC000065398641 454560017 /nfs/dbraw/zinc/56/00/17/454560017.db2.gz SBTRLJIDUKNTPO-UHFFFAOYSA-N 1 1 327.472 3.300 50 0 EGAAMO COc1ccc(C[N@@H+](C)[C@@H](C)C(=O)NC2CCCC2)c2cccnc12 ZINC000065423099 454564179 /nfs/dbraw/zinc/56/41/79/454564179.db2.gz ADWPXHUVEHIWHD-AWEZNQCLSA-N 1 1 341.455 3.123 50 0 EGAAMO COc1ccc(CN(C(=O)NC[C@H]2CC[N@H+](C(C)C)C2)C2CC2)cc1 ZINC000065441859 454568448 /nfs/dbraw/zinc/56/84/48/454568448.db2.gz PUWBMZWBDDLNBK-QGZVFWFLSA-N 1 1 345.487 3.100 50 0 EGAAMO CC(C)c1noc([C@H](C)[NH2+]C2CCN(C(=O)c3ccccc3)CC2)n1 ZINC000065494645 454576852 /nfs/dbraw/zinc/57/68/52/454576852.db2.gz TVIKEENNRFJLAC-AWEZNQCLSA-N 1 1 342.443 3.148 50 0 EGAAMO Cc1cccc([C@H](C(=O)NCc2cc(-c3ccco3)on2)[NH+](C)C)c1 ZINC000065531108 454585626 /nfs/dbraw/zinc/58/56/26/454585626.db2.gz VLVHLNLEGXYSQQ-GOSISDBHSA-N 1 1 339.395 3.162 50 0 EGAAMO CN(CCC1CCOCC1)C(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000137021962 454765844 /nfs/dbraw/zinc/76/58/44/454765844.db2.gz GHNZYCHEBFYZPR-HXUWFJFHSA-N 1 1 344.499 3.316 50 0 EGAAMO Cc1ccc(C)n1CCCC(=O)NC[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000253405739 455840544 /nfs/dbraw/zinc/84/05/44/455840544.db2.gz IKUBPLMDDADSFG-RBUKOAKNSA-N 1 1 331.504 3.266 50 0 biogenic EGAAMO CN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)Cn1ccc2ccccc21 ZINC000253412287 455841516 /nfs/dbraw/zinc/84/15/16/455841516.db2.gz QMOSOWODSNSOFV-AZUAARDMSA-N 1 1 339.483 3.364 50 0 biogenic EGAAMO Cc1[nH+]cn(CC(=O)N[C@H](c2ccncc2)c2ccc(C)cc2)c1C ZINC000220020585 456037748 /nfs/dbraw/zinc/03/77/48/456037748.db2.gz FKVQHGZUEKLPPZ-FQEVSTJZSA-N 1 1 334.423 3.109 50 0 EGAAMO CSc1ccc(C(=O)N2CCC[N@H+](Cc3ccccn3)CC2)cc1 ZINC000221314886 456042028 /nfs/dbraw/zinc/04/20/28/456042028.db2.gz MJLQVMKQXGECNQ-UHFFFAOYSA-N 1 1 341.480 3.152 50 0 EGAAMO CSc1ccc(C(=O)N2CCC[N@@H+](Cc3ccccn3)CC2)cc1 ZINC000221314886 456042036 /nfs/dbraw/zinc/04/20/36/456042036.db2.gz MJLQVMKQXGECNQ-UHFFFAOYSA-N 1 1 341.480 3.152 50 0 EGAAMO COc1ccc(C(=O)NC[C@@H](c2ccsc2)[NH+]2CCC2)cc1F ZINC000225594182 456095567 /nfs/dbraw/zinc/09/55/67/456095567.db2.gz LBLKHTYSZRMRQP-HNNXBMFYSA-N 1 1 334.416 3.073 50 0 EGAAMO CCOc1ccc(CN(C(=O)NC[C@H]2CCCC[N@H+]2C)C2CC2)cc1 ZINC000426433657 457830051 /nfs/dbraw/zinc/83/00/51/457830051.db2.gz MTTDSFUOBMKMQP-GOSISDBHSA-N 1 1 345.487 3.244 50 0 EGAAMO CC(C)[N@H+]1CCCC[C@H]1CCNC(=O)N1CCOc2ccccc2C1 ZINC000426433652 457830682 /nfs/dbraw/zinc/83/06/82/457830682.db2.gz MAORYKMRCGQXEW-SFHVURJKSA-N 1 1 345.487 3.244 50 0 EGAAMO CO[C@]12CC[N@@H+](CCCSC)[C@H]1C[C@@H](Oc1ccccn1)CC2 ZINC000426597226 457860185 /nfs/dbraw/zinc/86/01/85/457860185.db2.gz MRMYJZUPLYVFMF-XYJFISCASA-N 1 1 336.501 3.226 50 0 EGAAMO O=C1C[C@@]2(CC[N@H+](Cc3ccc(-c4cc[nH]n4)o3)C2)Oc2ccccc21 ZINC000639268175 461835680 /nfs/dbraw/zinc/83/56/80/461835680.db2.gz VTWULMIGDTXYJE-HXUWFJFHSA-N 1 1 349.390 3.280 50 0 EGAAMO O=C1C[C@@]2(CC[N@@H+](Cc3ccc(-c4cc[nH]n4)o3)C2)Oc2ccccc21 ZINC000639268175 461835686 /nfs/dbraw/zinc/83/56/86/461835686.db2.gz VTWULMIGDTXYJE-HXUWFJFHSA-N 1 1 349.390 3.280 50 0 EGAAMO COc1ccc(F)c(F)c1C[N@@H+]1CC[C@](O)(c2ccccc2C)C1 ZINC000216390934 536599249 /nfs/dbraw/zinc/59/92/49/536599249.db2.gz LKDHNBIMTLLYTI-LJQANCHMSA-N 1 1 333.378 3.375 50 0 EGAAMO COc1ccc(F)c(F)c1C[N@H+]1CC[C@](O)(c2ccccc2C)C1 ZINC000216390934 536599254 /nfs/dbraw/zinc/59/92/54/536599254.db2.gz LKDHNBIMTLLYTI-LJQANCHMSA-N 1 1 333.378 3.375 50 0 EGAAMO Cc1cc(C)n(CCN(C)Cc2cc(C[NH+]3CCCC3)cs2)n1 ZINC000670440756 548216276 /nfs/dbraw/zinc/21/62/76/548216276.db2.gz IUILVFVPRRMXGI-UHFFFAOYSA-N 1 1 332.517 3.289 50 0 EGAAMO O=C(NC[C@@H](c1cccnc1)[NH+]1CCCCC1)c1cccn1C1CC1 ZINC000670461384 548219168 /nfs/dbraw/zinc/21/91/68/548219168.db2.gz NGQVBCLMMXQQGL-IBGZPJMESA-N 1 1 338.455 3.175 50 0 EGAAMO c1csc(C[N@H+]2CCCN([C@@H]3COc4ccccc4C3)CC2)c1 ZINC000039489945 1291404575 /nfs/dbraw/zinc/40/45/75/1291404575.db2.gz MHOMHNFZFAZBAX-KRWDZBQOSA-N 1 1 328.481 3.260 50 0 EGAAMO c1csc(CN2CCC[N@@H+]([C@@H]3COc4ccccc4C3)CC2)c1 ZINC000039489945 1291404582 /nfs/dbraw/zinc/40/45/82/1291404582.db2.gz MHOMHNFZFAZBAX-KRWDZBQOSA-N 1 1 328.481 3.260 50 0 EGAAMO c1csc(CN2CCC[N@H+]([C@@H]3COc4ccccc4C3)CC2)c1 ZINC000039489945 1291404588 /nfs/dbraw/zinc/40/45/88/1291404588.db2.gz MHOMHNFZFAZBAX-KRWDZBQOSA-N 1 1 328.481 3.260 50 0 EGAAMO O=C(NCCc1cccnc1)[C@@H](c1ccc(F)cc1)[NH+]1CCCCC1 ZINC000827647414 1292350632 /nfs/dbraw/zinc/35/06/32/1292350632.db2.gz IZEPCBWJWINGIO-LJQANCHMSA-N 1 1 341.430 3.107 50 0 EGAAMO Cc1ccccc1NC(=O)CCNC(=O)[C@H](C)n1cc[nH+]c1C(C)C ZINC000828075040 1292428013 /nfs/dbraw/zinc/42/80/13/1292428013.db2.gz BMHLCLRJEHRMHR-HNNXBMFYSA-N 1 1 342.443 3.021 50 0 EGAAMO COc1ccc(-n2cccn2)c(CNCC2([NH+](C)C)CCCCC2)c1 ZINC000952962277 1334625561 /nfs/dbraw/zinc/62/55/61/1334625561.db2.gz BQHLSBFILJEUQV-UHFFFAOYSA-N 1 1 342.487 3.235 50 0 EGAAMO COc1cccc(Oc2ccc(NC(=O)[C@@H]3CCC[N@@H+](C)C3)cn2)c1 ZINC000952966965 1334626604 /nfs/dbraw/zinc/62/66/04/1334626604.db2.gz XUMGKXGAAKHBFT-CQSZACIVSA-N 1 1 341.411 3.163 50 0 EGAAMO COc1ncc(CN[C@@H](c2nc3ccc(C)cc3[nH]2)C(C)C)cn1 ZINC000952973514 1334627552 /nfs/dbraw/zinc/62/75/52/1334627552.db2.gz CWIOFKCXBBFVFQ-MRXNPFEDSA-N 1 1 325.416 3.157 50 0 EGAAMO COc1ncc(C[NH2+][C@@H](c2nc3cc(C)ccc3[nH]2)C(C)C)cn1 ZINC000952973514 1334627555 /nfs/dbraw/zinc/62/75/55/1334627555.db2.gz CWIOFKCXBBFVFQ-MRXNPFEDSA-N 1 1 325.416 3.157 50 0 EGAAMO COc1ncc(C[NH2+][C@@H](c2nc3ccc(C)cc3[nH]2)C(C)C)cn1 ZINC000952973514 1334627557 /nfs/dbraw/zinc/62/75/57/1334627557.db2.gz CWIOFKCXBBFVFQ-MRXNPFEDSA-N 1 1 325.416 3.157 50 0 EGAAMO Cc1[nH+]ccn1CCC(=O)N(C)CCCOc1cccc(Cl)c1 ZINC000952975482 1334628356 /nfs/dbraw/zinc/62/83/56/1334628356.db2.gz FFCMOONDSUQLEH-UHFFFAOYSA-N 1 1 335.835 3.163 50 0 EGAAMO O[C@@H]1CCC[C@]12CCC[N@H+](C1CCN(c3ccc(F)cc3)CC1)C2 ZINC001704333661 1416447125 /nfs/dbraw/zinc/44/71/25/1416447125.db2.gz CADULRHPGXXYNQ-WOJBJXKFSA-N 1 1 332.463 3.422 50 0 EGAAMO Cc1cccc(NC(=O)C[N@H+]2CCCC[C@@H]2CCn2cccn2)c1 ZINC001704347196 1416451336 /nfs/dbraw/zinc/45/13/36/1416451336.db2.gz JHVXSMSSIKQBNG-GOSISDBHSA-N 1 1 326.444 3.075 50 0 EGAAMO CN(C(=O)C[N@@H+](C)C[C@H]1CCN(c2ccccc2)C1)c1ccccc1 ZINC001704354113 1416453555 /nfs/dbraw/zinc/45/35/55/1416453555.db2.gz SJDLXYAWYKUXRL-GOSISDBHSA-N 1 1 337.467 3.108 50 0 EGAAMO Cc1ccc(-c2ccc(C[N@H+]3C[C@@H]4COCC[C@]4(CO)C3)o2)cc1 ZINC001772708633 1441417131 /nfs/dbraw/zinc/41/71/31/1441417131.db2.gz DGJIBEKJXVCQMT-YLJYHZDGSA-N 1 1 327.424 3.086 50 0 EGAAMO Cc1ccc2cc(C[N@H+]3C[C@@H]4C[C@]4(C)C3)c(N3CCOCC3)nc2c1 ZINC001772804768 1441417420 /nfs/dbraw/zinc/41/74/20/1441417420.db2.gz UDSFFZBCHMOEDR-GHTZIAJQSA-N 1 1 337.467 3.222 50 0 EGAAMO Cc1cccc(CCN2C[C@H]3C[NH2+]C[C@@]3(CCc3ccccc3)C2)n1 ZINC001772809996 1441417620 /nfs/dbraw/zinc/41/76/20/1441417620.db2.gz BTVDPPGQXRQPNI-IRLDBZIGSA-N 1 1 335.495 3.087 50 0 EGAAMO O=C(NCC[N@H+]1CC[C@H](c2ccccc2)C1)c1cnc2c(c1)CCCC2 ZINC000097657378 219045391 /nfs/dbraw/zinc/04/53/91/219045391.db2.gz XOJYLWWKZAXGGA-IBGZPJMESA-N 1 1 349.478 3.180 50 0 EGAAMO CC[N@H+]1CCCC[C@@H]1C(=O)N(CCOC)Cc1ccccc1Cl ZINC000097698605 219049291 /nfs/dbraw/zinc/04/92/91/219049291.db2.gz PSSUFDSGDKPYQD-QGZVFWFLSA-N 1 1 338.879 3.189 50 0 EGAAMO COc1ccc(-c2n[nH]cc2C[NH2+]C2CCN(C(C)C)CC2)cc1 ZINC000053946051 214208171 /nfs/dbraw/zinc/20/81/71/214208171.db2.gz LIDVPOLQPUZSJF-UHFFFAOYSA-N 1 1 328.460 3.048 50 0 EGAAMO Cc1cc(C)n([C@H]2CC[N@@H+](Cc3ccc(-c4cc[nH]n4)s3)C2)n1 ZINC000097742794 219052345 /nfs/dbraw/zinc/05/23/45/219052345.db2.gz XSRDEUJCSWVGOY-AWEZNQCLSA-N 1 1 327.457 3.399 50 0 EGAAMO O=C(NC[C@@H]1CC[N@@H+](Cc2c(Cl)cccc2Cl)C1)C1CC1 ZINC000067740707 215198873 /nfs/dbraw/zinc/19/88/73/215198873.db2.gz FJXYFLIWJINNKR-NSHDSACASA-N 1 1 327.255 3.342 50 0 EGAAMO O=C(NC[C@@H]1CC[N@H+](Cc2c(Cl)cccc2Cl)C1)C1CC1 ZINC000067740707 215198877 /nfs/dbraw/zinc/19/88/77/215198877.db2.gz FJXYFLIWJINNKR-NSHDSACASA-N 1 1 327.255 3.342 50 0 EGAAMO COc1cc(C)c(-c2nc(C[N@@H+]3CCC[C@@H](O)C3)c(C)o2)cc1C ZINC000067784963 215210368 /nfs/dbraw/zinc/21/03/68/215210368.db2.gz OGHXZWZEZQJWHI-OAHLLOKOSA-N 1 1 330.428 3.232 50 0 EGAAMO COc1cc(C)c(-c2nc(C[N@H+]3CCC[C@@H](O)C3)c(C)o2)cc1C ZINC000067784963 215210369 /nfs/dbraw/zinc/21/03/69/215210369.db2.gz OGHXZWZEZQJWHI-OAHLLOKOSA-N 1 1 330.428 3.232 50 0 EGAAMO Cc1ccccc1[C@H]1c2[nH]cnc2CC[N@H+]1Cc1ccc2nonc2c1 ZINC000067841855 215227318 /nfs/dbraw/zinc/22/73/18/215227318.db2.gz ACDDXQWVDODBFL-FQEVSTJZSA-N 1 1 345.406 3.402 50 0 EGAAMO Cc1ccccc1[C@H]1c2[nH]cnc2CC[N@@H+]1Cc1ccc2nonc2c1 ZINC000067841855 215227321 /nfs/dbraw/zinc/22/73/21/215227321.db2.gz ACDDXQWVDODBFL-FQEVSTJZSA-N 1 1 345.406 3.402 50 0 EGAAMO Cc1ccc(NC(=O)NCC[C@@H]2CCC[N@H+](C3CCOCC3)C2)cc1 ZINC000067847351 215230036 /nfs/dbraw/zinc/23/00/36/215230036.db2.gz CSDLOVCMCZAXLU-KRWDZBQOSA-N 1 1 345.487 3.398 50 0 EGAAMO Cc1ccccc1C[N@H+]1CCC[C@@H](CNC(=O)c2cnccc2C)C1 ZINC000067868168 215234630 /nfs/dbraw/zinc/23/46/30/215234630.db2.gz ZOVCASTZSZELGG-SFHVURJKSA-N 1 1 337.467 3.340 50 0 EGAAMO C[N@@H+](Cc1cnc(-c2ccccn2)nc1)Cc1ccc2nsnc2c1 ZINC000067921373 215250896 /nfs/dbraw/zinc/25/08/96/215250896.db2.gz CRMVZBDBEPUNIR-UHFFFAOYSA-N 1 1 348.435 3.175 50 0 EGAAMO C[N@H+](Cc1cnc(-c2ccccn2)nc1)Cc1ccc2nsnc2c1 ZINC000067921373 215250898 /nfs/dbraw/zinc/25/08/98/215250898.db2.gz CRMVZBDBEPUNIR-UHFFFAOYSA-N 1 1 348.435 3.175 50 0 EGAAMO Cc1noc(C)c1NC(=O)NC[C@H]1CC[N@@H+](Cc2ccccc2F)C1 ZINC000067934833 215253352 /nfs/dbraw/zinc/25/33/52/215253352.db2.gz HNKCCBZBBWGOQF-CQSZACIVSA-N 1 1 346.406 3.074 50 0 EGAAMO Cc1ccc2[nH]c(CN(C)C(=O)[C@@H](C)n3cc[nH+]c3C(C)C)nc2c1 ZINC000067974726 215264417 /nfs/dbraw/zinc/26/44/17/215264417.db2.gz XLAUNXVXUNDPMJ-CQSZACIVSA-N 1 1 339.443 3.411 50 0 EGAAMO CN(C)C(=O)CC[C@H]1CCC[N@@H+](Cc2cc3cc(F)ccc3n2C)C1 ZINC000072125637 216016149 /nfs/dbraw/zinc/01/61/49/216016149.db2.gz XRKFGLCRMUHCKI-OAHLLOKOSA-N 1 1 345.462 3.398 50 0 EGAAMO CCc1ccc2nc(C)cc(C(=O)N3CC[N@H+]4CCCC[C@@H]4C3)c2c1 ZINC000072140316 216025581 /nfs/dbraw/zinc/02/55/81/216025581.db2.gz RYLRKKHDXMNRNO-QGZVFWFLSA-N 1 1 337.467 3.416 50 0 EGAAMO COc1c[nH]c(C[N@H+]2CCC[C@@H](Nc3ccc(F)c(F)c3)C2)cc1=O ZINC000072144094 216030358 /nfs/dbraw/zinc/03/03/58/216030358.db2.gz DSTJDPZQRISFQK-CYBMUJFWSA-N 1 1 349.381 3.151 50 0 EGAAMO CCC[N@H+]1CCC[C@]2(CO)CN(Cc3cc(F)ccc3F)CC[C@@H]12 ZINC000072168949 216060735 /nfs/dbraw/zinc/06/07/35/216060735.db2.gz LLAKTLTUQLVGNI-RTBURBONSA-N 1 1 338.442 3.024 50 0 EGAAMO CCc1[nH+]ccn1CC(=O)N(C)Cc1csc(-c2ccccc2)n1 ZINC000072425271 216214498 /nfs/dbraw/zinc/21/44/98/216214498.db2.gz JYNXILIRMPVLBL-UHFFFAOYSA-N 1 1 340.452 3.228 50 0 EGAAMO Cc1nn2c(nc(C)cc2NC[C@H]2Cc3ccccc3C[N@@H+]2C)c1C ZINC000072438495 216232157 /nfs/dbraw/zinc/23/21/57/216232157.db2.gz XOYYBHOGLVLHJI-GOSISDBHSA-N 1 1 335.455 3.123 50 0 EGAAMO CC(=O)Nc1ccc(-c2nccn2Cc2c[nH+]cn2CC(C)C)cc1 ZINC000072457747 216242111 /nfs/dbraw/zinc/24/21/11/216242111.db2.gz KHIQRLUETXZMKY-UHFFFAOYSA-N 1 1 337.427 3.409 50 0 EGAAMO Cc1[nH+]ccn1CCCC(=O)N(C)Cc1cc(-c2ccccc2)no1 ZINC000072474826 216251358 /nfs/dbraw/zinc/25/13/58/216251358.db2.gz GSAWDVNKHVXKBY-UHFFFAOYSA-N 1 1 338.411 3.285 50 0 EGAAMO COc1cccc([C@H]2C[N@@H+](Cc3ccccn3)[C@H]3[C@@H]2N2CCC3CC2)c1 ZINC000072476716 216253722 /nfs/dbraw/zinc/25/37/22/216253722.db2.gz NTKFXVPPDVYXND-YPAWHYETSA-N 1 1 349.478 3.152 50 0 EGAAMO COc1cccc([C@H]2CN(Cc3ccccn3)[C@H]3[C@@H]2[NH+]2CCC3CC2)c1 ZINC000072476716 216253726 /nfs/dbraw/zinc/25/37/26/216253726.db2.gz NTKFXVPPDVYXND-YPAWHYETSA-N 1 1 349.478 3.152 50 0 EGAAMO CC(=O)c1cccc(CN2CC[N@H+](C3CCCCC3)[C@@H](CCO)C2)c1 ZINC000022932670 212336045 /nfs/dbraw/zinc/33/60/45/212336045.db2.gz XXORDKCJFKHMQI-NRFANRHFSA-N 1 1 344.499 3.091 50 0 EGAAMO Cc1ccc(C[N@H+]2CCN(Cc3ccccc3F)[C@H](CCO)C2)cc1 ZINC000022853632 212329929 /nfs/dbraw/zinc/32/99/29/212329929.db2.gz CGVFSQGUKGBCGP-HXUWFJFHSA-N 1 1 342.458 3.203 50 0 EGAAMO COC[C@H](c1ccccn1)[N@@H+](C)Cc1ccccc1Cn1cccn1 ZINC000215070421 241104383 /nfs/dbraw/zinc/10/43/83/241104383.db2.gz PQESONYWUYFEOX-HXUWFJFHSA-N 1 1 336.439 3.146 50 0 EGAAMO COc1ccc(-n2cccn2)c(C[N@H+]2CCOC3(CCCC3)C2)c1 ZINC000216161030 241172690 /nfs/dbraw/zinc/17/26/90/241172690.db2.gz JYAHZPYVQGRMPO-UHFFFAOYSA-N 1 1 327.428 3.026 50 0 EGAAMO c1ccc(C[N@@H+](Cc2ccc3c(c2)OCCO3)C[C@@H]2CCCO2)nc1 ZINC000216189698 241172854 /nfs/dbraw/zinc/17/28/54/241172854.db2.gz KOGNZXAUKXZAGZ-SFHVURJKSA-N 1 1 340.423 3.034 50 0 EGAAMO c1ccc(C[N@H+](Cc2ccc3c(c2)OCCO3)C[C@@H]2CCCO2)nc1 ZINC000216189698 241172858 /nfs/dbraw/zinc/17/28/58/241172858.db2.gz KOGNZXAUKXZAGZ-SFHVURJKSA-N 1 1 340.423 3.034 50 0 EGAAMO CO[C@H]1CCC[N@H+](Cc2cnc(SCc3ccccc3)nc2)C1 ZINC000215464415 241124724 /nfs/dbraw/zinc/12/47/24/241124724.db2.gz AALDLYJTEAPSPH-KRWDZBQOSA-N 1 1 329.469 3.380 50 0 EGAAMO CO[C@H]1CCC[N@@H+](Cc2cnc(SCc3ccccc3)nc2)C1 ZINC000215464415 241124732 /nfs/dbraw/zinc/12/47/32/241124732.db2.gz AALDLYJTEAPSPH-KRWDZBQOSA-N 1 1 329.469 3.380 50 0 EGAAMO c1cnn(Cc2ccc(C[N@H+]3CCCC[C@@H]3CN3CCCC3)cc2)c1 ZINC000215570395 241135028 /nfs/dbraw/zinc/13/50/28/241135028.db2.gz XXQXERPZJRMMIF-OAQYLSRUSA-N 1 1 338.499 3.382 50 0 EGAAMO c1cnn(Cc2ccc(C[N@@H+]3CCCC[C@@H]3CN3CCCC3)cc2)c1 ZINC000215570395 241135029 /nfs/dbraw/zinc/13/50/29/241135029.db2.gz XXQXERPZJRMMIF-OAQYLSRUSA-N 1 1 338.499 3.382 50 0 EGAAMO Cc1nc([C@@H]2CCC[N@@H+](Cc3c[nH]nc3-c3cccc(F)c3)C2)no1 ZINC000215658941 241137822 /nfs/dbraw/zinc/13/78/22/241137822.db2.gz VQNXIVAGCZGGIG-CQSZACIVSA-N 1 1 341.390 3.287 50 0 EGAAMO O=C(CSc1ccncc1)N1CCC[N@H+](C2CCCCC2)CC1 ZINC000219555904 241396272 /nfs/dbraw/zinc/39/62/72/241396272.db2.gz YHNNKCJCWVVDRP-UHFFFAOYSA-N 1 1 333.501 3.041 50 0 EGAAMO Cc1cc(C)n(-c2ccccc2CN2CCC[C@@H]([NH+](C)C)CC2)n1 ZINC000244602002 243043637 /nfs/dbraw/zinc/04/36/37/243043637.db2.gz DVXGNXVLXBAWSB-LJQANCHMSA-N 1 1 326.488 3.405 50 0 EGAAMO COc1ccc(CN2CC[N@H+](C3CCCCC3)[C@@H](CCO)C2)cc1C ZINC000020541294 212145636 /nfs/dbraw/zinc/14/56/36/212145636.db2.gz GYNKDFPJCFQZPO-FQEVSTJZSA-N 1 1 346.515 3.205 50 0 EGAAMO Cc1ccc(Cl)c(OCCOCC[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000020166881 212108475 /nfs/dbraw/zinc/10/84/75/212108475.db2.gz ALNUZSFHDONXIC-GJZGRUSLSA-N 1 1 327.852 3.153 50 0 EGAAMO c1ccc(-c2nc3ccccc3c(NCCC[NH+]3CCOCC3)n2)cc1 ZINC000019791965 212067573 /nfs/dbraw/zinc/06/75/73/212067573.db2.gz RCCJDYLQMYODQE-UHFFFAOYSA-N 1 1 348.450 3.431 50 0 EGAAMO C[N@@H+](Cc1ccc(CO)o1)[C@@H]1CCCN(Cc2ccccc2F)C1 ZINC000019224743 212007315 /nfs/dbraw/zinc/00/73/15/212007315.db2.gz GVLMNUWHVAWFJM-MRXNPFEDSA-N 1 1 332.419 3.007 50 0 EGAAMO CN(Cc1ccc(CO)o1)[C@@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000019224743 212007317 /nfs/dbraw/zinc/00/73/17/212007317.db2.gz GVLMNUWHVAWFJM-MRXNPFEDSA-N 1 1 332.419 3.007 50 0 EGAAMO CN(Cc1ccc(CO)o1)[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000019224743 212007320 /nfs/dbraw/zinc/00/73/20/212007320.db2.gz GVLMNUWHVAWFJM-MRXNPFEDSA-N 1 1 332.419 3.007 50 0 EGAAMO CN(C(=O)c1cscn1)[C@@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000012429809 211377875 /nfs/dbraw/zinc/37/78/75/211377875.db2.gz GLSNYJGDDDBJPS-CQSZACIVSA-N 1 1 333.432 3.019 50 0 EGAAMO CN(C(=O)c1cscn1)[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000012429809 211377881 /nfs/dbraw/zinc/37/78/81/211377881.db2.gz GLSNYJGDDDBJPS-CQSZACIVSA-N 1 1 333.432 3.019 50 0 EGAAMO Cc1nc(CC(=O)N2CCC[C@@H]([N@@H+](C)Cc3ccccc3)C2)cs1 ZINC000012454853 211385774 /nfs/dbraw/zinc/38/57/74/211385774.db2.gz XKWNFIWLGSVKRH-GOSISDBHSA-N 1 1 343.496 3.117 50 0 EGAAMO O=C1CC[N@H+](C[C@@H]2CC=CCC2)CCN1CCOc1ccc(F)cc1 ZINC000011814122 211249460 /nfs/dbraw/zinc/24/94/60/211249460.db2.gz VPQUIABLHZBHMG-QGZVFWFLSA-N 1 1 346.446 3.095 50 0 EGAAMO Fc1cc(F)cc(CN2C[C@H]3CC[C@@H]2C[N@@H+](Cc2ccccn2)C3)c1 ZINC000091644600 218037924 /nfs/dbraw/zinc/03/79/24/218037924.db2.gz AUWVEGZQALARMB-MGPUTAFESA-N 1 1 343.421 3.456 50 0 EGAAMO CCOc1ccc(C(=O)NC[C@@H](c2ccco2)[NH+](C)C)cc1OCC ZINC000010328323 211164740 /nfs/dbraw/zinc/16/47/40/211164740.db2.gz FYCALDZMLREGLA-HNNXBMFYSA-N 1 1 346.427 3.110 50 0 EGAAMO Fc1cccnc1N1CCC[C@H](c2[nH+]ccn2Cc2cscn2)C1 ZINC000095375150 218307683 /nfs/dbraw/zinc/30/76/83/218307683.db2.gz IGHLBWIVHNQGCB-ZDUSSCGKSA-N 1 1 343.431 3.306 50 0 EGAAMO CC(C)c1[nH+]ccn1[C@@H](C)C(=O)N1CCC(CCn2cccn2)CC1 ZINC000095387694 218319556 /nfs/dbraw/zinc/31/95/56/218319556.db2.gz PTSYJSCNQCKMPC-INIZCTEOSA-N 1 1 343.475 3.093 50 0 EGAAMO CC(C)c1cc(CNC(=O)CC[C@@H]2CCC[N@H+]3CCCC[C@H]23)no1 ZINC000095386738 218318397 /nfs/dbraw/zinc/31/83/97/218318397.db2.gz KFTWTHZXWARCPO-DOTOQJQBSA-N 1 1 333.476 3.459 50 0 EGAAMO Cc1ccc(C)c(NC(=O)CSc2nnc([C@@H]([NH3+])CC(C)C)o2)c1 ZINC000005071365 210382700 /nfs/dbraw/zinc/38/27/00/210382700.db2.gz BYTHRNLAVVECMC-ZDUSSCGKSA-N 1 1 348.472 3.463 50 0 EGAAMO O=C(NCC[C@H]1CCCC[N@H+]1C1CCCC1)c1cc(F)ccc1O ZINC000299783817 258091686 /nfs/dbraw/zinc/09/16/86/258091686.db2.gz VFKWBTHNCCHWBO-MRXNPFEDSA-N 1 1 334.435 3.448 50 0 EGAAMO Cc1[nH]nc(C2CC2)c1C(=O)N[C@@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000299786789 258093610 /nfs/dbraw/zinc/09/36/10/258093610.db2.gz PMSZCAQIWJSBBG-OAHLLOKOSA-N 1 1 330.476 3.122 50 0 EGAAMO Cc1n[nH]c(C2CC2)c1C(=O)N[C@@H]1CCC[N@@H+](C2CCCCC2)C1 ZINC000299786789 258093612 /nfs/dbraw/zinc/09/36/12/258093612.db2.gz PMSZCAQIWJSBBG-OAHLLOKOSA-N 1 1 330.476 3.122 50 0 EGAAMO Cc1n[nH]c(C2CC2)c1C(=O)N[C@@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000299786789 258093614 /nfs/dbraw/zinc/09/36/14/258093614.db2.gz PMSZCAQIWJSBBG-OAHLLOKOSA-N 1 1 330.476 3.122 50 0 EGAAMO CN(C[C@@H]1CC[N@@H+](C)C1(C)C)C(=O)Cc1ccc(F)cc1Cl ZINC000299787402 258094430 /nfs/dbraw/zinc/09/44/30/258094430.db2.gz WQOQBTDSYPLMFY-ZDUSSCGKSA-N 1 1 326.843 3.210 50 0 EGAAMO O=C(CCc1cccc(O)c1)NC[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000299788934 258094942 /nfs/dbraw/zinc/09/49/42/258094942.db2.gz ZAMCUGGANWPTPO-KRWDZBQOSA-N 1 1 330.472 3.096 50 0 EGAAMO CCCNC(=O)C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2[C@@H]1c1ccc(F)cc1 ZINC000005141805 276015535 /nfs/dbraw/zinc/01/55/35/276015535.db2.gz YYQWSSHRVKGXIT-YZGWKJHDSA-N 1 1 348.462 3.020 50 0 EGAAMO CCCNC(=O)C[N@H+]1CC[C@]2(O)CCCC[C@@H]2[C@@H]1c1ccc(F)cc1 ZINC000005141805 276015537 /nfs/dbraw/zinc/01/55/37/276015537.db2.gz YYQWSSHRVKGXIT-YZGWKJHDSA-N 1 1 348.462 3.020 50 0 EGAAMO COCC[N@H+]1CC[C@@]2(C1)CCCN(Cc1ccc(C(C)C)cc1)C2=O ZINC000072157931 277226454 /nfs/dbraw/zinc/22/64/54/277226454.db2.gz VLQNKLVOJVHESZ-OAQYLSRUSA-N 1 1 344.499 3.271 50 0 EGAAMO COc1ncc(C[N@H+]2CCC[C@]3(C=Cc4ccccc4O3)CC2)cn1 ZINC000065375550 278088990 /nfs/dbraw/zinc/08/89/90/278088990.db2.gz YIGSAJAGRCDFTP-FQEVSTJZSA-N 1 1 337.423 3.316 50 0 EGAAMO Cc1ccc2ncccc2c1C[N@H+]1CCNC(=O)[C@@H]1Cc1ccccc1 ZINC000215800819 281171484 /nfs/dbraw/zinc/17/14/84/281171484.db2.gz VUEDJGKKFNQFDP-NRFANRHFSA-N 1 1 345.446 3.086 50 0 EGAAMO Clc1ccc2c(c1)C1=C(CO2)[C@H](c2ccccc2)N2NC=NC2=[NH+]1 ZINC000005556972 452884103 /nfs/dbraw/zinc/88/41/03/452884103.db2.gz IYKKEARTKVPYNC-KRWDZBQOSA-N 1 1 336.782 3.403 50 0 EGAAMO COc1ccccc1CC[N@H+]1CCC[C@@H](CN(C)C(=O)C(C)(C)C)C1 ZINC000012588851 453379291 /nfs/dbraw/zinc/37/92/91/453379291.db2.gz VYLHXKHTHYMAFH-KRWDZBQOSA-N 1 1 346.515 3.454 50 0 EGAAMO Cc1ccccc1CN1CC[N@H+](Cc2ccc(F)cc2)CCC1=O ZINC000014955180 453549870 /nfs/dbraw/zinc/54/98/70/453549870.db2.gz HXDSHDDCJWWASI-UHFFFAOYSA-N 1 1 326.415 3.369 50 0 EGAAMO Cc1ccccc1CN1CC[N@@H+](Cc2ccc(F)cc2)CCC1=O ZINC000014955180 453549876 /nfs/dbraw/zinc/54/98/76/453549876.db2.gz HXDSHDDCJWWASI-UHFFFAOYSA-N 1 1 326.415 3.369 50 0 EGAAMO Clc1cccc(N2CCN([C@H]3CCC[N@@H+](CC4CC4)C3)CC2)c1 ZINC000020779690 453668119 /nfs/dbraw/zinc/66/81/19/453668119.db2.gz UQUWGQIADNGZHP-IBGZPJMESA-N 1 1 333.907 3.336 50 0 EGAAMO Cc1ccc2c(c1)ncn(CC[C@@H]1CCC[N@H+]3CCCC[C@H]13)c2=O ZINC000032577770 453878215 /nfs/dbraw/zinc/87/82/15/453878215.db2.gz STOZPZVHFWMARF-QFBILLFUSA-N 1 1 325.456 3.360 50 0 EGAAMO O=C(NC[C@H]1CC[N@@H+](Cc2c(Cl)cccc2Cl)C1)C1CC1 ZINC000067740705 453961493 /nfs/dbraw/zinc/96/14/93/453961493.db2.gz FJXYFLIWJINNKR-LLVKDONJSA-N 1 1 327.255 3.342 50 0 EGAAMO O=C(NC[C@H]1CC[N@H+](Cc2c(Cl)cccc2Cl)C1)C1CC1 ZINC000067740705 453961496 /nfs/dbraw/zinc/96/14/96/453961496.db2.gz FJXYFLIWJINNKR-LLVKDONJSA-N 1 1 327.255 3.342 50 0 EGAAMO Cn1ccnc1CC[C@@H]1CCCC[N@H+]1Cc1cc(C(C)(C)C)n[nH]1 ZINC000077489185 454111947 /nfs/dbraw/zinc/11/19/47/454111947.db2.gz CCBZCCJFZOZWQR-INIZCTEOSA-N 1 1 329.492 3.428 50 0 EGAAMO Nc1ncccc1C[N@H+]1CCC[C@@H](c2n[nH]cc2Cc2ccccc2)C1 ZINC000077565928 454124007 /nfs/dbraw/zinc/12/40/07/454124007.db2.gz XNYPDBAFTRFTQU-QGZVFWFLSA-N 1 1 347.466 3.357 50 0 EGAAMO COCc1ccc(C(=O)N2CCC[N@@H+](CC3CC3)[C@@H](C(C)C)C2)o1 ZINC000071404060 454206542 /nfs/dbraw/zinc/20/65/42/454206542.db2.gz GFLQZNAKDRAPAH-QGZVFWFLSA-N 1 1 334.460 3.009 50 0 EGAAMO CCOc1ncccc1C(=O)N1CCC[N@@H+](CC2CC2)[C@H](C(C)C)C1 ZINC000071750577 454212656 /nfs/dbraw/zinc/21/26/56/454212656.db2.gz XVFKOFONLWJEBT-SFHVURJKSA-N 1 1 345.487 3.063 50 0 EGAAMO CC(C)c1[nH+]ccn1[C@H](C)C(=O)NCCc1nc2c(s1)CCCC2 ZINC000095515447 454226426 /nfs/dbraw/zinc/22/64/26/454226426.db2.gz HPMANIKXNFGVOV-CYBMUJFWSA-N 1 1 346.500 3.262 50 0 EGAAMO c1ccc([C@@H]2CC[N@H+](CCNc3nccc(-c4ccccn4)n3)C2)cc1 ZINC000096149886 454292923 /nfs/dbraw/zinc/29/29/23/454292923.db2.gz KCTZJQUTSJMWIR-GOSISDBHSA-N 1 1 345.450 3.440 50 0 EGAAMO Oc1ccc(C[NH+]2CCN(Cc3ccccc3)CC2)c2cccnc12 ZINC000090443174 454305277 /nfs/dbraw/zinc/30/52/77/454305277.db2.gz KVSFNSYWZHJDIE-UHFFFAOYSA-N 1 1 333.435 3.258 50 0 EGAAMO CCc1nn(C)c(Cl)c1C[N@H+]1CC[C@H](Cc2ccc(CO)cc2)C1 ZINC000091288712 454423149 /nfs/dbraw/zinc/42/31/49/454423149.db2.gz QBDIKQQXUIRGHD-MRXNPFEDSA-N 1 1 347.890 3.193 50 0 EGAAMO COc1ccc2c(C)c(C(=O)N3CC([N@H+]4CCCC[C@H]4C)C3)oc2c1 ZINC000091321397 454427048 /nfs/dbraw/zinc/42/70/48/454427048.db2.gz KLCMNEKPDXADGB-CYBMUJFWSA-N 1 1 342.439 3.449 50 0 EGAAMO Cc1ccsc1[C@@H]1CC[N@@H+](Cc2ccc3c(c2)CCO3)C[C@H]1O ZINC000065370054 454555329 /nfs/dbraw/zinc/55/53/29/454555329.db2.gz MXXLTQQKEMQXLQ-IAGOWNOFSA-N 1 1 329.465 3.342 50 0 EGAAMO CC(=O)N1CCCC[C@H]1C1=CCC[N@@H+](CCOc2ccc(F)cc2)C1 ZINC000065408075 454561880 /nfs/dbraw/zinc/56/18/80/454561880.db2.gz UTCPXQPQCGEPEY-FQEVSTJZSA-N 1 1 346.446 3.238 50 0 EGAAMO O=C(N[C@H](c1cccs1)C1CCCCC1)c1cc2n(n1)CC[NH2+]C2 ZINC000065434718 454566882 /nfs/dbraw/zinc/56/68/82/454566882.db2.gz IKNLCXQQWONTBJ-KRWDZBQOSA-N 1 1 344.484 3.099 50 0 EGAAMO C[C@@H]1CCCN(C(=O)CC[N@H+](C)Cc2cc(-c3ccccc3)on2)C1 ZINC000065527911 454585097 /nfs/dbraw/zinc/58/50/97/454585097.db2.gz XTAZSCIREKFYTP-MRXNPFEDSA-N 1 1 341.455 3.422 50 0 EGAAMO C[C@@H]1CCCN(C(=O)CC[N@@H+](C)Cc2cc(-c3ccccc3)on2)C1 ZINC000065527911 454585099 /nfs/dbraw/zinc/58/50/99/454585099.db2.gz XTAZSCIREKFYTP-MRXNPFEDSA-N 1 1 341.455 3.422 50 0 EGAAMO CCC(=O)N(Cc1ccc(OC)c(OC)c1)[C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000245232088 455280930 /nfs/dbraw/zinc/28/09/30/455280930.db2.gz PLOYJZJBKMLKKY-BFYDXBDKSA-N 1 1 348.487 3.171 50 0 EGAAMO c1[nH]nc2c1C[N@H+](Cc1cnc(SCc3ccccc3)nc1)CC2 ZINC000215693284 456025575 /nfs/dbraw/zinc/02/55/75/456025575.db2.gz FEWAQJXPTIFPFP-UHFFFAOYSA-N 1 1 337.452 3.050 50 0 EGAAMO c1[nH]nc2c1C[N@@H+](Cc1cnc(SCc3ccccc3)nc1)CC2 ZINC000215693284 456025584 /nfs/dbraw/zinc/02/55/84/456025584.db2.gz FEWAQJXPTIFPFP-UHFFFAOYSA-N 1 1 337.452 3.050 50 0 EGAAMO CC(C)C/C=C(\C[N@H+]1CC[C@H](N2CCN(C)CC2)C1)c1ccccc1 ZINC000215532279 456025860 /nfs/dbraw/zinc/02/58/60/456025860.db2.gz DILTXDVQQGZZAP-IIKPXAABSA-N 1 1 341.543 3.438 50 0 EGAAMO C[C@@H]1C[N@@H+](C)CCCN1Cc1cnc(-c2ccc(Cl)cc2)nc1 ZINC000216018584 456028005 /nfs/dbraw/zinc/02/80/05/456028005.db2.gz VYFTVEPUCKPCCI-CQSZACIVSA-N 1 1 330.863 3.323 50 0 EGAAMO CSc1ccc(CN2CCC(CO)(C[NH+]3CCCC3)CC2)cc1 ZINC000220455738 456040332 /nfs/dbraw/zinc/04/03/32/456040332.db2.gz TUCDHXIINUPHQN-UHFFFAOYSA-N 1 1 334.529 3.079 50 0 EGAAMO CC(C)C[C@H](C(=O)NC[C@@H]1CCC[N@H+]2CCCC[C@H]12)n1cccc1 ZINC000263586536 456178460 /nfs/dbraw/zinc/17/84/60/456178460.db2.gz VKUHXLUINSRURY-IPMKNSEASA-N 1 1 331.504 3.456 50 0 biogenic EGAAMO Cc1cnccc1-c1cccc(C(=O)N2CC[C@@H]3CC[C@H](C2)[N@H+]3C)c1 ZINC000426405091 457823069 /nfs/dbraw/zinc/82/30/69/457823069.db2.gz FSDKRPYMZQEYPR-RBUKOAKNSA-N 1 1 335.451 3.366 50 0 EGAAMO Cc1[nH+]ccn1-c1ccc(CNC(=O)c2ccnc(C(C)C)n2)cc1 ZINC000426421383 457828460 /nfs/dbraw/zinc/82/84/60/457828460.db2.gz ZVGJFVOXZXLSEQ-UHFFFAOYSA-N 1 1 335.411 3.024 50 0 EGAAMO CO[C@]12CC[N@@H+](Cc3cccc(OCC(C)C)c3)[C@H]1C[C@H](O)CC2 ZINC000426486056 457840851 /nfs/dbraw/zinc/84/08/51/457840851.db2.gz SWKCYUVIPYGZTR-YZGWKJHDSA-N 1 1 333.472 3.226 50 0 EGAAMO Cc1nc([C@H]2CCOC2)cc(N2CCC[N@H+](C3CCCCC3)CC2)n1 ZINC000426490757 457842229 /nfs/dbraw/zinc/84/22/29/457842229.db2.gz UEUGVBXDWBLNHH-KRWDZBQOSA-N 1 1 344.503 3.134 50 0 EGAAMO COc1ccccc1NC(=O)N1CCC[N@H+](C2CCSCC2)CC1 ZINC000575617819 459986975 /nfs/dbraw/zinc/98/69/75/459986975.db2.gz RKTFPZCXGCVDHK-UHFFFAOYSA-N 1 1 349.500 3.130 50 0 EGAAMO COc1ncc(CN2CCC([C@H]3CC[N@@H+](CC(C)(C)C)C3)CC2)cn1 ZINC000012587566 1291132773 /nfs/dbraw/zinc/13/27/73/1291132773.db2.gz AKOHVNPJCMNJOO-SFHVURJKSA-N 1 1 346.519 3.065 50 0 EGAAMO CCn1cncc1CN1CCC([C@H]2CC[N@H+](CC(C)(C)C)C2)CC1 ZINC000019743533 1291193731 /nfs/dbraw/zinc/19/37/31/1291193731.db2.gz RFALVZXAAZESIM-SFHVURJKSA-N 1 1 332.536 3.483 50 0 EGAAMO CCn1cncc1CN1CCC([C@H]2CC[N@@H+](CC(C)(C)C)C2)CC1 ZINC000019743533 1291193733 /nfs/dbraw/zinc/19/37/33/1291193733.db2.gz RFALVZXAAZESIM-SFHVURJKSA-N 1 1 332.536 3.483 50 0 EGAAMO CC(C)=CC[N@H+]1CCN(Cc2nc(C(C)C)cs2)C[C@@H]1CCO ZINC000022932608 1291228705 /nfs/dbraw/zinc/22/87/05/1291228705.db2.gz MNEXXKOTHIPNPL-INIZCTEOSA-N 1 1 337.533 3.101 50 0 EGAAMO CC(C)=CC[N@@H+]1CCN(Cc2nc(C(C)C)cs2)C[C@@H]1CCO ZINC000022932608 1291228707 /nfs/dbraw/zinc/22/87/07/1291228707.db2.gz MNEXXKOTHIPNPL-INIZCTEOSA-N 1 1 337.533 3.101 50 0 EGAAMO CC(C)[C@@H]1CN(Cc2c[nH]cn2)CCC[N@H+]1Cc1ccc(F)cc1 ZINC000071762373 1292268988 /nfs/dbraw/zinc/26/89/88/1292268988.db2.gz VCXLHRROLIVYFU-IBGZPJMESA-N 1 1 330.451 3.281 50 0 EGAAMO CC(C)[C@@H]1CN(Cc2cnc[nH]2)CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000071762373 1292268997 /nfs/dbraw/zinc/26/89/97/1292268997.db2.gz VCXLHRROLIVYFU-IBGZPJMESA-N 1 1 330.451 3.281 50 0 EGAAMO CC(C)[C@@H]1CN(Cc2cnc[nH]2)CCC[N@H+]1Cc1ccc(F)cc1 ZINC000071762373 1292269003 /nfs/dbraw/zinc/26/90/03/1292269003.db2.gz VCXLHRROLIVYFU-IBGZPJMESA-N 1 1 330.451 3.281 50 0 EGAAMO CC[C@](C)([NH2+]Cc1ccc(OC)cc1)c1nnnn1-c1ccccc1 ZINC000822668000 1320111154 /nfs/dbraw/zinc/11/11/54/1320111154.db2.gz MTAPMEIVOQOLAQ-IBGZPJMESA-N 1 1 337.427 3.086 50 0 EGAAMO CCCc1ncncc1C(=O)Nc1ccccc1Cn1cc[nH+]c1C ZINC000823018923 1320146689 /nfs/dbraw/zinc/14/66/89/1320146689.db2.gz BWRNEAPKQSMOBC-UHFFFAOYSA-N 1 1 335.411 3.235 50 0 EGAAMO Cc1ccsc1C[N@H+]1CCC[C@H](CNC(=O)c2cncc(F)c2)C1 ZINC000826630303 1320392128 /nfs/dbraw/zinc/39/21/28/1320392128.db2.gz KSWYXSLTNQHHTQ-CQSZACIVSA-N 1 1 347.459 3.233 50 0 EGAAMO COCCC[N@@H+](Cc1c(C)nn(C)c1C)Cc1ccc(OC)cc1 ZINC000952869269 1334584104 /nfs/dbraw/zinc/58/41/04/1334584104.db2.gz NYPSUNWSEQLVEF-UHFFFAOYSA-N 1 1 331.460 3.084 50 0 EGAAMO CC(C)Cn1cncc1C[NH2+]Cc1nn(C)c2cccc(Cl)c12 ZINC000952966269 1334626354 /nfs/dbraw/zinc/62/63/54/1334626354.db2.gz UUYHQJYQKLZGNV-UHFFFAOYSA-N 1 1 331.851 3.369 50 0 EGAAMO CC[N@H+]1CCC[C@@H](CNCc2cc3ccc(Cl)cc3[nH]c2=O)C1 ZINC000952969758 1334626933 /nfs/dbraw/zinc/62/69/33/1334626933.db2.gz NAGKZFMIZRNWBC-ZDUSSCGKSA-N 1 1 333.863 3.415 50 0 EGAAMO CCn1nc(Cc2c(Cl)cccc2Cl)nc1C[NH2+]C1CC1 ZINC000952970795 1334627629 /nfs/dbraw/zinc/62/76/29/1334627629.db2.gz BEGFYZJWCPGIBD-UHFFFAOYSA-N 1 1 325.243 3.448 50 0 EGAAMO Cc1[nH+]ccn1CC[C@H]1CCCCN1C(=O)c1snnc1C(C)C ZINC000952982784 1334630160 /nfs/dbraw/zinc/63/01/60/1334630160.db2.gz QTIXLSFDBQHJDZ-CQSZACIVSA-N 1 1 347.488 3.251 50 0 EGAAMO CO[C@H]1C[N@@H+](CCCOc2ccc(F)cc2)C[C@H]1Cc1cc(C)no1 ZINC001704297486 1416432909 /nfs/dbraw/zinc/43/29/09/1416432909.db2.gz ARWAEOOVWNKOEW-BEFAXECRSA-N 1 1 348.418 3.081 50 0 EGAAMO CN(C)c1ncc2c(n1)[C@]1(CC2)CCC[N@@H+](Cc2ccsc2)C1 ZINC001704312402 1416438945 /nfs/dbraw/zinc/43/89/45/1416438945.db2.gz QVZZSMCMKNVYOE-SFHVURJKSA-N 1 1 328.485 3.084 50 0 EGAAMO O=C(c1c[nH]c2ccccc12)N1CCC[N@H+](CC[C@@H]2CC2(F)F)CC1 ZINC001772707930 1441417207 /nfs/dbraw/zinc/41/72/07/1441417207.db2.gz YJGBGSUTJLVUCL-CQSZACIVSA-N 1 1 347.409 3.361 50 0 EGAAMO CCC[N@H+]1C[C@@H]2CN(c3cnccn3)C[C@]2(CCc2ccccc2)C1 ZINC001772806180 1441417391 /nfs/dbraw/zinc/41/73/91/1441417391.db2.gz VHMNLVDVYMDDJV-CTNGQTDRSA-N 1 1 336.483 3.258 50 0 EGAAMO COc1cc(F)c(C[NH+]2CCC(c3ccn(C)c(=O)c3)CC2)c(F)c1 ZINC001772805920 1441417458 /nfs/dbraw/zinc/41/74/58/1441417458.db2.gz VYNCLRWIOWXFSB-UHFFFAOYSA-N 1 1 348.393 3.052 50 0 EGAAMO COc1ccc(F)cc1C[NH+]1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000052909319 214153442 /nfs/dbraw/zinc/15/34/42/214153442.db2.gz PAADXCOOUKLUQB-UHFFFAOYSA-N 1 1 338.423 3.323 50 0 EGAAMO COc1ccc(C(=O)N2CC[NH+](Cc3c[nH]c4ccccc34)CC2)cc1 ZINC000054991973 214263450 /nfs/dbraw/zinc/26/34/50/214263450.db2.gz OYMUYAHPXQOLLE-UHFFFAOYSA-N 1 1 349.434 3.135 50 0 EGAAMO Brc1ccc(C2=C[C@H](c3ccco3)N3NC=NC3=[NH+]2)cc1 ZINC000100486279 219100540 /nfs/dbraw/zinc/10/05/40/219100540.db2.gz ONUKEHKGPGJRRA-CYBMUJFWSA-N 1 1 343.184 3.342 50 0 EGAAMO O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(F)cc1F ZINC000067446690 215147529 /nfs/dbraw/zinc/14/75/29/215147529.db2.gz RSUUYCYAVBYNSJ-OAHLLOKOSA-N 1 1 330.378 3.217 50 0 EGAAMO COc1ccc(-c2ccc(C(=O)N(C)C[C@]3(C)CC[N@@H+](C)C3)o2)cc1 ZINC000067514808 215157473 /nfs/dbraw/zinc/15/74/73/215157473.db2.gz PTSHAQFSIHGUPA-HXUWFJFHSA-N 1 1 342.439 3.369 50 0 EGAAMO C[C@@H](C1=CCC[N@@H+](Cc2ccncc2)C1)N(C)C(=O)c1cccs1 ZINC000067643318 215171957 /nfs/dbraw/zinc/17/19/57/215171957.db2.gz PXJOQNOIUNPGDP-HNNXBMFYSA-N 1 1 341.480 3.436 50 0 EGAAMO C[N@@H+](CCc1ccccc1)Cc1cc(C(=O)N2CCCC2(C)C)no1 ZINC000067676272 215182779 /nfs/dbraw/zinc/18/27/79/215182779.db2.gz BZEDMYLBUSHMLF-UHFFFAOYSA-N 1 1 341.455 3.364 50 0 EGAAMO O=C(C[NH+]1CCCCCC1)N1CCC[C@H]1c1nc2ccc(F)cc2[nH]1 ZINC000067739783 215198809 /nfs/dbraw/zinc/19/88/09/215198809.db2.gz MFYPLLJEGLFEOR-KRWDZBQOSA-N 1 1 344.434 3.242 50 0 EGAAMO CCc1ccc(C[N@H+]2CC[C@H](CNC(=O)c3cccc(C)c3)C2)nc1 ZINC000067856297 215233160 /nfs/dbraw/zinc/23/31/60/215233160.db2.gz FYMZNPKURWOVKQ-GOSISDBHSA-N 1 1 337.467 3.204 50 0 EGAAMO Cc1ccccc1C[N@H+]1CC[C@H](CNC(=O)c2cccc(O)c2C)C1 ZINC000067872756 215237570 /nfs/dbraw/zinc/23/75/70/215237570.db2.gz GWKSLVXAKNQQIX-QGZVFWFLSA-N 1 1 338.451 3.261 50 0 EGAAMO Cc1[nH+]ccn1CC[C@@H]1CCCCN1C(=O)c1cc(C(C)C)no1 ZINC000067946928 215255559 /nfs/dbraw/zinc/25/55/59/215255559.db2.gz MFLPZVPYIBHKRO-HNNXBMFYSA-N 1 1 330.432 3.388 50 0 EGAAMO CC(C)=CC[N@H+]1CCN(Cc2cc3ccccc3[nH]2)C[C@H]1CCO ZINC000104481535 219389181 /nfs/dbraw/zinc/38/91/81/219389181.db2.gz HKZBLWIFCZADHE-LJQANCHMSA-N 1 1 327.472 3.003 50 0 EGAAMO CC(C)/C=C/CN1CC[N@@H+](CCCc2ccccc2)[C@H](CCO)C1 ZINC000036379977 213091927 /nfs/dbraw/zinc/09/19/27/213091927.db2.gz FDYYEEPYCYWUDK-HSTAZWAASA-N 1 1 330.516 3.200 50 0 EGAAMO c1ccc(SCC[N@H+]2CCCN(Cc3cccnc3)CC2)cc1 ZINC000072153515 216042067 /nfs/dbraw/zinc/04/20/67/216042067.db2.gz NDUZZNCPSNCVFK-UHFFFAOYSA-N 1 1 327.497 3.382 50 0 EGAAMO CC(C)NC(=O)C1([N@@H+](C)CCc2ccccc2)Cc2ccccc2C1 ZINC000072161694 216050521 /nfs/dbraw/zinc/05/05/21/216050521.db2.gz ZBAOPGUDERCJFY-UHFFFAOYSA-N 1 1 336.479 3.223 50 0 EGAAMO CN(Cc1cccnc1N)[C@@H]1CCC[N@@H+](CCCc2ccccc2)C1 ZINC000072169250 216061210 /nfs/dbraw/zinc/06/12/10/216061210.db2.gz SHKNFWLNOJSWDW-HXUWFJFHSA-N 1 1 338.499 3.193 50 0 EGAAMO CCn1ccnc1C[N@@H+]1CCC[C@@H](COc2ccc(OC)cc2)C1 ZINC000072480107 216259718 /nfs/dbraw/zinc/25/97/18/216259718.db2.gz RHIGQWGBFGJCLP-MRXNPFEDSA-N 1 1 329.444 3.203 50 0 EGAAMO CCn1ccnc1C[N@H+]1CCC[C@@H](COc2ccc(OC)cc2)C1 ZINC000072480107 216259721 /nfs/dbraw/zinc/25/97/21/216259721.db2.gz RHIGQWGBFGJCLP-MRXNPFEDSA-N 1 1 329.444 3.203 50 0 EGAAMO COc1cccc(-c2n[nH]c3c2C[N@H+](Cc2cccc(C)n2)CC3)c1 ZINC000023338090 212368784 /nfs/dbraw/zinc/36/87/84/212368784.db2.gz WAZJFKYAKVFJMA-UHFFFAOYSA-N 1 1 334.423 3.347 50 0 EGAAMO COc1cccc(-c2n[nH]c3c2C[N@@H+](Cc2cccc(C)n2)CC3)c1 ZINC000023338090 212368785 /nfs/dbraw/zinc/36/87/85/212368785.db2.gz WAZJFKYAKVFJMA-UHFFFAOYSA-N 1 1 334.423 3.347 50 0 EGAAMO C[C@H]1[C@@H]2CCC[N@H+]2CCN1Cc1ccc(F)c(Br)c1 ZINC000022078330 212276989 /nfs/dbraw/zinc/27/69/89/212276989.db2.gz NJFNVSBTPDQWGG-NHYWBVRUSA-N 1 1 327.241 3.257 50 0 EGAAMO Cn1ccnc1[C@H](O)C1CC[NH+](Cc2ccc(F)cc2Cl)CC1 ZINC000214969323 241100183 /nfs/dbraw/zinc/10/01/83/241100183.db2.gz MSHVJYDJKUWBGQ-MRXNPFEDSA-N 1 1 337.826 3.158 50 0 EGAAMO Cc1n[nH]c(C)c1CCC[N@H+](C)Cc1cnc(N2CCCC2)s1 ZINC000215078897 241105392 /nfs/dbraw/zinc/10/53/92/241105392.db2.gz VXXMGGYRHBTZDW-UHFFFAOYSA-N 1 1 333.505 3.148 50 0 EGAAMO CSc1ncc(CN2CC[NH+](C/C=C/c3ccccc3)CC2)cn1 ZINC000216472144 241195125 /nfs/dbraw/zinc/19/51/25/241195125.db2.gz OOKSUJIHLFOOQH-VMPITWQZSA-N 1 1 340.496 3.030 50 0 EGAAMO CC(=O)Nc1ccc(C[N@H+]2CCC[C@@H](OCc3cccnc3)C2)cc1 ZINC000216487118 241195401 /nfs/dbraw/zinc/19/54/01/241195401.db2.gz PQBNXONUCREODU-HXUWFJFHSA-N 1 1 339.439 3.221 50 0 EGAAMO COc1cc(CN2CCC(F)CC2)ccc1OCC[NH+]1CCCC1 ZINC000215440347 241125783 /nfs/dbraw/zinc/12/57/83/241125783.db2.gz MIKABMOIBDVXGD-UHFFFAOYSA-N 1 1 336.451 3.104 50 0 EGAAMO Cc1cc(C(=O)NCC[N@H+]2CCC[C@@H](c3ccccc3)C2)cc(C)n1 ZINC000215504526 241127446 /nfs/dbraw/zinc/12/74/46/241127446.db2.gz IMKMVKHSZVWYIL-LJQANCHMSA-N 1 1 337.467 3.308 50 0 EGAAMO CCCn1ncc(CN2CC[NH+](C/C=C/c3ccccc3)CC2)c1C ZINC000215560686 241131560 /nfs/dbraw/zinc/13/15/60/241131560.db2.gz FUKQFWXPRJZWPQ-JXMROGBWSA-N 1 1 338.499 3.433 50 0 EGAAMO Cc1cc(C)n2ncc(C[N@@H+](C)C[C@H]3CCN(c4ccccc4)C3)c2n1 ZINC000215579816 241135214 /nfs/dbraw/zinc/13/52/14/241135214.db2.gz RXRVKBIMDJCLQG-GOSISDBHSA-N 1 1 349.482 3.304 50 0 EGAAMO Cc1[nH+]ccn1CCNC(=O)c1ccoc1COc1ccc(C)cc1 ZINC000219038671 241359375 /nfs/dbraw/zinc/35/93/75/241359375.db2.gz GYZBZNUOXOJHPE-UHFFFAOYSA-N 1 1 339.395 3.102 50 0 EGAAMO COCC[C@@H]1CCCC[N@H+]1CCC(=O)Nc1cc(F)ccc1F ZINC000244764161 243075859 /nfs/dbraw/zinc/07/58/59/243075859.db2.gz PCJNRAWMPYJEQL-AWEZNQCLSA-N 1 1 326.387 3.184 50 0 EGAAMO C[N@@H+](Cc1ccccc1)C1(CNCc2ccon2)Cc2ccccc2C1 ZINC000020538334 212145687 /nfs/dbraw/zinc/14/56/87/212145687.db2.gz SKUJAWIREPAUEF-UHFFFAOYSA-N 1 1 347.462 3.434 50 0 EGAAMO CC[NH+]1CCN(CCCCOc2ccc(CCC(C)=O)cc2)CC1 ZINC000020406311 212125790 /nfs/dbraw/zinc/12/57/90/212125790.db2.gz QLNFBZQIHWTQPW-UHFFFAOYSA-N 1 1 332.488 3.005 50 0 EGAAMO CC[C@H](Oc1ccccc1)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020149467 212106424 /nfs/dbraw/zinc/10/64/24/212106424.db2.gz ZQFBEKSBOKBSOK-FQEVSTJZSA-N 1 1 338.451 3.188 50 0 EGAAMO O=C(NCC1([NH+]2CCOCC2)CCCCC1)c1ccccc1Cl ZINC000019901998 212080912 /nfs/dbraw/zinc/08/09/12/212080912.db2.gz RRNGVVWXFUCXQA-UHFFFAOYSA-N 1 1 336.863 3.105 50 0 EGAAMO O=C(CN1CC[NH+](Cc2ccccc2)CC1)Nc1cccc(Cl)c1 ZINC000019881381 212078258 /nfs/dbraw/zinc/07/82/58/212078258.db2.gz AMZDXYMVLUSNAP-UHFFFAOYSA-N 1 1 343.858 3.096 50 0 EGAAMO S=C(NCCC[NH+]1CCOCC1)Nc1ccc(Cl)c(Cl)c1 ZINC000019841134 212074164 /nfs/dbraw/zinc/07/41/64/212074164.db2.gz CBOGANPPDLSDSW-UHFFFAOYSA-N 1 1 348.299 3.002 50 0 EGAAMO Cc1cccc(OCC(=O)N2CC[NH+](Cc3ccccc3C)CC2)c1 ZINC000019790094 212066864 /nfs/dbraw/zinc/06/68/64/212066864.db2.gz ZQXGXHPWHSUJFI-UHFFFAOYSA-N 1 1 338.451 3.027 50 0 EGAAMO C[C@@H]1C[N@H+](C[C@H](O)Cn2c3ccccc3c3ccccc32)C[C@H](C)O1 ZINC000012378339 211360031 /nfs/dbraw/zinc/36/00/31/211360031.db2.gz BTEPOPVDLPKRBZ-BBWFWOEESA-N 1 1 338.451 3.265 50 0 EGAAMO C[C@@H]1C[N@@H+](C[C@@H](O)COc2ccccc2-c2ccccc2)C[C@H](C)O1 ZINC000012420072 211374713 /nfs/dbraw/zinc/37/47/13/211374713.db2.gz DTGMJUIAYYICOP-ZIFCJYIRSA-N 1 1 341.451 3.203 50 0 EGAAMO C[C@@H]1C[N@H+](C[C@@H](O)COc2ccccc2-c2ccccc2)C[C@H](C)O1 ZINC000012420072 211374716 /nfs/dbraw/zinc/37/47/16/211374716.db2.gz DTGMJUIAYYICOP-ZIFCJYIRSA-N 1 1 341.451 3.203 50 0 EGAAMO CCN(Cc1c[nH]cn1)C[C@H]1CCC[N@@H+](CCc2cccc(F)c2)C1 ZINC000012316460 211345019 /nfs/dbraw/zinc/34/50/19/211345019.db2.gz IZTCFNDPYQUEPG-GOSISDBHSA-N 1 1 344.478 3.325 50 0 EGAAMO CCN(Cc1cnc[nH]1)C[C@H]1CCC[N@H+](CCc2cccc(F)c2)C1 ZINC000012316460 211345024 /nfs/dbraw/zinc/34/50/24/211345024.db2.gz IZTCFNDPYQUEPG-GOSISDBHSA-N 1 1 344.478 3.325 50 0 EGAAMO CCN(Cc1cnc[nH]1)C[C@H]1CCC[N@@H+](CCc2cccc(F)c2)C1 ZINC000012316460 211345028 /nfs/dbraw/zinc/34/50/28/211345028.db2.gz IZTCFNDPYQUEPG-GOSISDBHSA-N 1 1 344.478 3.325 50 0 EGAAMO O=C1N(CCc2ccccc2)CCC[C@]12CC[N@@H+](Cc1cccnc1)C2 ZINC000012304536 211339984 /nfs/dbraw/zinc/33/99/84/211339984.db2.gz MWQGEKIVFADLEM-JOCHJYFZSA-N 1 1 349.478 3.139 50 0 EGAAMO CC(C)C[N@H+]1CC[C@@]2(C1)CCCN(Cc1cccc(F)c1F)C2=O ZINC000012298407 211336728 /nfs/dbraw/zinc/33/67/28/211336728.db2.gz URPQRVJGTOUMDD-LJQANCHMSA-N 1 1 336.426 3.435 50 0 EGAAMO CCn1cc(C[N@@H+]2CCC[C@H](C(=O)c3cccc(OC)c3)C2)cn1 ZINC000012209026 211319789 /nfs/dbraw/zinc/31/97/89/211319789.db2.gz ZJUSJKNBKOZNND-KRWDZBQOSA-N 1 1 327.428 3.007 50 0 EGAAMO CCn1cc(C[N@H+]2CCC[C@H](C(=O)c3cccc(OC)c3)C2)cn1 ZINC000012209026 211319794 /nfs/dbraw/zinc/31/97/94/211319794.db2.gz ZJUSJKNBKOZNND-KRWDZBQOSA-N 1 1 327.428 3.007 50 0 EGAAMO Cc1ccc(C[N@H+]2CC[C@@](O)(C3CCOCC3)[C@H](C)C2)c(F)c1F ZINC000091434038 218004867 /nfs/dbraw/zinc/00/48/67/218004867.db2.gz NEWBMPUBILIAEB-KUHUBIRLSA-N 1 1 339.426 3.273 50 0 EGAAMO Cc1ccsc1C(=O)N1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccccn1)C2 ZINC000091475714 218012057 /nfs/dbraw/zinc/01/20/57/218012057.db2.gz BMVHJNMXELMVSG-DOTOQJQBSA-N 1 1 341.480 3.188 50 0 EGAAMO Cc1ccsc1C(=O)N1C[C@H]2CC[C@@H]1C[N@@H+](Cc1ccccn1)C2 ZINC000091475714 218012060 /nfs/dbraw/zinc/01/20/60/218012060.db2.gz BMVHJNMXELMVSG-DOTOQJQBSA-N 1 1 341.480 3.188 50 0 EGAAMO C[C@@]1(c2ccccc2)CCC[N@@H+](Cc2cccc(OCC(N)=O)c2)C1 ZINC000091486865 218013155 /nfs/dbraw/zinc/01/31/55/218013155.db2.gz DXTAINQOXBBSAX-OAQYLSRUSA-N 1 1 338.451 3.104 50 0 EGAAMO Cc1cccc(N2CCN(C(=O)C[C@@H]3CCc4ccccc43)CC2)[nH+]1 ZINC000091625370 218033937 /nfs/dbraw/zinc/03/39/37/218033937.db2.gz VVAQISJAFAFUIP-SFHVURJKSA-N 1 1 335.451 3.159 50 0 EGAAMO Fc1ccc(N[C@H]2CCC[N@@H+](Cc3ccc4nonc4c3)C2)cc1 ZINC000011843219 211256516 /nfs/dbraw/zinc/25/65/16/211256516.db2.gz NPLPIUIWJHZSPF-INIZCTEOSA-N 1 1 326.375 3.438 50 0 EGAAMO CCCN1C(=O)[C@H]2CC[C@@H]1C[N@H+](Cc1cc(C)c(OC)cc1C)C2 ZINC000091706809 218050884 /nfs/dbraw/zinc/05/08/84/218050884.db2.gz COBVSKLNEPPELT-FUHWJXTLSA-N 1 1 330.472 3.145 50 0 EGAAMO C[N@H+]1CCCCC[C@@H]1C(=O)NCc1csc(-c2ccccc2)n1 ZINC000091873286 218082489 /nfs/dbraw/zinc/08/24/89/218082489.db2.gz AZOKVFBLCDQRCJ-MRXNPFEDSA-N 1 1 329.469 3.301 50 0 EGAAMO Cc1ccc2nc([C@@H](C)NC(=O)CCC[NH+]3CCCCC3)[nH]c2c1 ZINC000095362532 218295239 /nfs/dbraw/zinc/29/52/39/218295239.db2.gz NWURUBMALCPVKT-OAHLLOKOSA-N 1 1 328.460 3.315 50 0 EGAAMO Cc1cccc(C)c1OCCN(C)C(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000095370649 218302916 /nfs/dbraw/zinc/30/29/16/218302916.db2.gz UEFIFNHAKHUPJK-SFHVURJKSA-N 1 1 332.488 3.405 50 0 EGAAMO COc1ccccc1-n1cc(C[N@@H+]2CCc3[nH]nc(C4CC4)c3C2)cn1 ZINC000097370482 219015999 /nfs/dbraw/zinc/01/59/99/219015999.db2.gz WGMAJCGCYQELAV-UHFFFAOYSA-N 1 1 349.438 3.040 50 0 EGAAMO COc1ccccc1-n1cc(C[N@H+]2CCc3[nH]nc(C4CC4)c3C2)cn1 ZINC000097370482 219016000 /nfs/dbraw/zinc/01/60/00/219016000.db2.gz WGMAJCGCYQELAV-UHFFFAOYSA-N 1 1 349.438 3.040 50 0 EGAAMO COc1ccccc1-n1cc(C[N@@H+]2CCc3n[nH]c(C4CC4)c3C2)cn1 ZINC000097370482 219016002 /nfs/dbraw/zinc/01/60/02/219016002.db2.gz WGMAJCGCYQELAV-UHFFFAOYSA-N 1 1 349.438 3.040 50 0 EGAAMO COc1ccccc1-n1cc(C[N@H+]2CCc3n[nH]c(C4CC4)c3C2)cn1 ZINC000097370482 219016005 /nfs/dbraw/zinc/01/60/05/219016005.db2.gz WGMAJCGCYQELAV-UHFFFAOYSA-N 1 1 349.438 3.040 50 0 EGAAMO Nc1nc2c(cc(F)cc2-c2cccc(C[NH+]3CCOCC3)c2)s1 ZINC000426593688 257962411 /nfs/dbraw/zinc/96/24/11/257962411.db2.gz KJEBGNGGWPFXQZ-UHFFFAOYSA-N 1 1 343.427 3.347 50 0 EGAAMO O=C(Nc1ccc(F)nc1)N[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000299771993 258084330 /nfs/dbraw/zinc/08/43/30/258084330.db2.gz ZCBJNBBCUSCHFX-ZDUSSCGKSA-N 1 1 334.420 3.068 50 0 EGAAMO Cn1cccc1C(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+]1CCCC1 ZINC000299774941 258085606 /nfs/dbraw/zinc/08/56/06/258085606.db2.gz JSGYVRYBHWHRIK-KRWDZBQOSA-N 1 1 331.847 3.245 50 0 EGAAMO CCc1[nH+]ccn1CC(=O)NCC1(c2ccc(OC)cc2)CCCC1 ZINC000299778969 258088224 /nfs/dbraw/zinc/08/82/24/258088224.db2.gz TUAPFLVOQCUGEA-UHFFFAOYSA-N 1 1 341.455 3.082 50 0 EGAAMO COc1ccc(C[N@@H+]2CC[C@]3(OC)CC[C@H](OC)C[C@H]23)c(C)c1C ZINC000299795300 258099691 /nfs/dbraw/zinc/09/96/91/258099691.db2.gz MPIUXTHXUBENBL-YSIASYRMSA-N 1 1 333.472 3.470 50 0 EGAAMO C[N@H+](Cc1cnc(N2CCCC2)s1)C[C@@H]1Cc2ccccc2O1 ZINC000215967914 258072381 /nfs/dbraw/zinc/07/23/81/258072381.db2.gz FJEKLCHZPHIXQC-HNNXBMFYSA-N 1 1 329.469 3.179 50 0 EGAAMO CCCC[N@H+]1CCn2nc(CNC(=O)c3ccc(CC)s3)cc2C1 ZINC000299764913 258080062 /nfs/dbraw/zinc/08/00/62/258080062.db2.gz WFWCOTQCBCAJPI-UHFFFAOYSA-N 1 1 346.500 3.053 50 0 EGAAMO Cc1ccc(C)c(OCC[N@H+]2CCC[C@@H](c3nnc4n3CCC4)C2)c1 ZINC000195520687 266186018 /nfs/dbraw/zinc/18/60/18/266186018.db2.gz NLTQDNZROSORDJ-QGZVFWFLSA-N 1 1 340.471 3.100 50 0 EGAAMO CC(C)c1cc(CN(C)C(=O)[C@@H](C)[N@@H+]2CCc3ccccc3C2)no1 ZINC000095366758 276046944 /nfs/dbraw/zinc/04/69/44/276046944.db2.gz XPGBUTZFCROOLZ-OAHLLOKOSA-N 1 1 341.455 3.203 50 0 EGAAMO CC(C)c1cc(CN(C)C(=O)[C@@H](C)[N@H+]2CCc3ccccc3C2)no1 ZINC000095366758 276046946 /nfs/dbraw/zinc/04/69/46/276046946.db2.gz XPGBUTZFCROOLZ-OAHLLOKOSA-N 1 1 341.455 3.203 50 0 EGAAMO NC(=O)CC[N@@H+](Cc1cncn1C1CCCCC1)Cc1ccccc1 ZINC000244763846 295039724 /nfs/dbraw/zinc/03/97/24/295039724.db2.gz OWMFHERIBKCEAS-UHFFFAOYSA-N 1 1 340.471 3.266 50 0 EGAAMO Cc1ccc(C)c2c(=O)cc(CN3CC[N@H+]4CCCC[C@H]4C3)[nH]c12 ZINC000244773816 455277125 /nfs/dbraw/zinc/27/71/25/455277125.db2.gz PHCAVZKQNMHCRM-KRWDZBQOSA-N 1 1 325.456 3.227 50 0 EGAAMO Cc1ccc(C)c2c(=O)cc(C[N@@H+]3CCN4CCCC[C@H]4C3)[nH]c12 ZINC000244773816 455277130 /nfs/dbraw/zinc/27/71/30/455277130.db2.gz PHCAVZKQNMHCRM-KRWDZBQOSA-N 1 1 325.456 3.227 50 0 EGAAMO Cc1ccc(C)c2c(=O)cc(C[N@H+]3CCN4CCCC[C@H]4C3)[nH]c12 ZINC000244773816 455277133 /nfs/dbraw/zinc/27/71/33/455277133.db2.gz PHCAVZKQNMHCRM-KRWDZBQOSA-N 1 1 325.456 3.227 50 0 EGAAMO COc1ccc(OC)c([C@@H]2c3cc(OC)c(OC)cc3CC[N@H+]2C)c1 ZINC000000197203 452533051 /nfs/dbraw/zinc/53/30/51/452533051.db2.gz XTAHYLNLGLZKHR-FQEVSTJZSA-N 1 1 343.423 3.298 50 0 EGAAMO COc1ccc(OC)c([C@@H]2c3cc(OC)c(OC)cc3CC[N@@H+]2C)c1 ZINC000000197203 452533056 /nfs/dbraw/zinc/53/30/56/452533056.db2.gz XTAHYLNLGLZKHR-FQEVSTJZSA-N 1 1 343.423 3.298 50 0 EGAAMO COc1ccc(C[N@H+]2CCCC[C@H]2CCO)cc1Br ZINC000000209852 452536328 /nfs/dbraw/zinc/53/63/28/452536328.db2.gz MRTKNZJFLHZKJY-ZDUSSCGKSA-N 1 1 328.250 3.195 50 0 EGAAMO COc1ccc(C[NH+]2CCN(c3ccccc3OC)CC2)cc1OC ZINC000000292188 452555011 /nfs/dbraw/zinc/55/50/11/452555011.db2.gz GLWVPIPHSJOKDI-UHFFFAOYSA-N 1 1 342.439 3.035 50 0 EGAAMO COC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)C[N@H+]1CCCC[C@H]1C ZINC000000507497 452610023 /nfs/dbraw/zinc/61/00/23/452610023.db2.gz JTKWBRIFJKXQPK-CYBMUJFWSA-N 1 1 343.427 3.076 50 0 EGAAMO Cc1ccc(OCC(=O)O[C@H](C)C[N@@H+](C)Cc2ccccc2)cc1 ZINC000002180647 452687589 /nfs/dbraw/zinc/68/75/89/452687589.db2.gz KNRYEMGUWQATJB-QGZVFWFLSA-N 1 1 327.424 3.438 50 0 EGAAMO CC[C@H](C)[C@H]([NH3+])c1nnc(SCC(=O)Nc2c(C)cccc2C)o1 ZINC000008481241 453206642 /nfs/dbraw/zinc/20/66/42/453206642.db2.gz GMRGYTDSFRWPLC-HZMBPMFUSA-N 1 1 348.472 3.463 50 0 EGAAMO COc1c(C)cc(C(=O)[C@H]2CCC[N@H+](Cc3cnn(C)c3)C2)cc1C ZINC000012714616 453392421 /nfs/dbraw/zinc/39/24/21/453392421.db2.gz YZPQJMCHOFAYHO-KRWDZBQOSA-N 1 1 341.455 3.140 50 0 EGAAMO COc1c(C)cc(C(=O)[C@H]2CCC[N@@H+](Cc3cnn(C)c3)C2)cc1C ZINC000012714616 453392428 /nfs/dbraw/zinc/39/24/28/453392428.db2.gz YZPQJMCHOFAYHO-KRWDZBQOSA-N 1 1 341.455 3.140 50 0 EGAAMO Cc1cccc(C[N@@H+]2CCc3[nH]nc(-c4ccc5c(c4)OCO5)c3C2)n1 ZINC000015076651 453554282 /nfs/dbraw/zinc/55/42/82/453554282.db2.gz WPASKCFQFVGJTB-UHFFFAOYSA-N 1 1 348.406 3.067 50 0 EGAAMO Cc1cccc(C[N@H+]2CCc3[nH]nc(-c4ccc5c(c4)OCO5)c3C2)n1 ZINC000015076651 453554284 /nfs/dbraw/zinc/55/42/84/453554284.db2.gz WPASKCFQFVGJTB-UHFFFAOYSA-N 1 1 348.406 3.067 50 0 EGAAMO COc1cc(C(C)=O)ccc1OCCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000016489344 453609745 /nfs/dbraw/zinc/60/97/45/453609745.db2.gz HVDNOTGXSYFVOM-GASCZTMLSA-N 1 1 335.444 3.166 50 0 EGAAMO CC[N@H+]1CCC[C@H](N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000019334950 453656276 /nfs/dbraw/zinc/65/62/76/453656276.db2.gz QYBLDNOQHXMDSP-KRWDZBQOSA-N 1 1 341.421 3.312 50 0 EGAAMO COc1ccc(C[N@H+]2CCC[C@H](CO)C2)cc1OCc1ccccc1 ZINC000023281982 453708221 /nfs/dbraw/zinc/70/82/21/453708221.db2.gz GFRLPUUSLLKXCD-IBGZPJMESA-N 1 1 341.451 3.479 50 0 EGAAMO COc1nccnc1N1CCC[C@H](c2[nH+]ccn2Cc2ccccc2)C1 ZINC000082109676 453924750 /nfs/dbraw/zinc/92/47/50/453924750.db2.gz JGJXRBFGKACANO-KRWDZBQOSA-N 1 1 349.438 3.114 50 0 EGAAMO Cc1nccnc1N1CCC[C@@H](c2[nH+]ccn2Cc2ccccc2)C1 ZINC000082137514 453926480 /nfs/dbraw/zinc/92/64/80/453926480.db2.gz POKKZBFEZNZJBM-GOSISDBHSA-N 1 1 333.439 3.414 50 0 EGAAMO COC[C@@H](c1ccccn1)[N@H+](C)Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000055073103 453959956 /nfs/dbraw/zinc/95/99/56/453959956.db2.gz OXYSGOMVHIZYNE-SFHVURJKSA-N 1 1 340.402 3.430 50 0 EGAAMO COC[C@@H](c1ccccn1)[N@@H+](C)Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000055073103 453959959 /nfs/dbraw/zinc/95/99/59/453959959.db2.gz OXYSGOMVHIZYNE-SFHVURJKSA-N 1 1 340.402 3.430 50 0 EGAAMO c1cc(C[N@@H+](Cc2ccc3nonc3c2)C[C@H]2CCCO2)cs1 ZINC000055383356 453979799 /nfs/dbraw/zinc/97/97/99/453979799.db2.gz MCSVPKKZGCEPSV-OAHLLOKOSA-N 1 1 329.425 3.466 50 0 EGAAMO COc1ccccc1C(=O)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000085651226 454035764 /nfs/dbraw/zinc/03/57/64/454035764.db2.gz NJHJTXBJHUZCJG-UHFFFAOYSA-N 1 1 327.449 3.475 50 0 EGAAMO c1cn(CC[C@@H]2CCCC[N@@H+]2Cc2noc(-c3ccccc3)n2)cn1 ZINC000077357156 454096356 /nfs/dbraw/zinc/09/63/56/454096356.db2.gz ZMKVXEAPPHWNAI-KRWDZBQOSA-N 1 1 337.427 3.378 50 0 EGAAMO c1cn(CC[C@@H]2CCCC[N@H+]2Cc2noc(-c3ccccc3)n2)cn1 ZINC000077357156 454096359 /nfs/dbraw/zinc/09/63/59/454096359.db2.gz ZMKVXEAPPHWNAI-KRWDZBQOSA-N 1 1 337.427 3.378 50 0 EGAAMO c1cc2c(nc[nH+]c2N2CCC(c3nc(-c4ccccc4)no3)CC2)[nH]1 ZINC000077357850 454096827 /nfs/dbraw/zinc/09/68/27/454096827.db2.gz BTNPKJDJHYNABA-UHFFFAOYSA-N 1 1 346.394 3.392 50 0 EGAAMO Cc1[nH+]ccn1CCC(=O)N1CCC[C@H](COc2cccc(C)c2)C1 ZINC000077357998 454097062 /nfs/dbraw/zinc/09/70/62/454097062.db2.gz IVHYGKHCCKDPDK-SFHVURJKSA-N 1 1 341.455 3.208 50 0 EGAAMO Cc1ccc(C(=O)N(C)C[C@H]2Cc3ccccc3C[N@H+]2C)c(F)c1 ZINC000077390941 454100904 /nfs/dbraw/zinc/10/09/04/454100904.db2.gz OAPLSJVAPNYXIP-QGZVFWFLSA-N 1 1 326.415 3.263 50 0 EGAAMO CC[C@@]12CCC[N@H+]3CC[C@]4(c5ccccc5NC4=C(C(=O)OC)C1)[C@@H]32 ZINC000044690101 454114250 /nfs/dbraw/zinc/11/42/50/454114250.db2.gz GIGFIWJRTMBSRP-PWRODBHTSA-N 1 1 338.451 3.445 50 0 EGAAMO COc1ccc2cc([C@H]3C[N@H+](CCn4cccn4)CCO3)ccc2c1 ZINC000071738885 454211338 /nfs/dbraw/zinc/21/13/38/454211338.db2.gz IRBATUMAUBSQRK-HXUWFJFHSA-N 1 1 337.423 3.118 50 0 EGAAMO COc1ccc2cc([C@H]3C[N@@H+](CCn4cccn4)CCO3)ccc2c1 ZINC000071738885 454211343 /nfs/dbraw/zinc/21/13/43/454211343.db2.gz IRBATUMAUBSQRK-HXUWFJFHSA-N 1 1 337.423 3.118 50 0 EGAAMO CO[C@@H]1CC[C@@H]2C[N@@H+]3CCc4c5ccccc5[nH]c4[C@@H]3C[C@@H]2[C@@H]1CO ZINC000071769158 454216743 /nfs/dbraw/zinc/21/67/43/454216743.db2.gz NWVMGSHVNNFQRI-OCSHYGNBSA-N 1 1 340.467 3.121 50 0 EGAAMO CO[C@@H]1CC[C@@H]2C[N@H+]3CCc4c5ccccc5[nH]c4[C@@H]3C[C@@H]2[C@@H]1CO ZINC000071769158 454216745 /nfs/dbraw/zinc/21/67/45/454216745.db2.gz NWVMGSHVNNFQRI-OCSHYGNBSA-N 1 1 340.467 3.121 50 0 EGAAMO CCCNC(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)[C@H](C(C)C)C1 ZINC000071764228 454217274 /nfs/dbraw/zinc/21/72/74/454217274.db2.gz BVKWGKOJVNGZKO-SFHVURJKSA-N 1 1 335.467 3.478 50 0 EGAAMO C[N@H+]1C[C@H](c2ccccc2)CC12CCN(C(=O)Cc1ccncc1)CC2 ZINC000095502320 454222011 /nfs/dbraw/zinc/22/20/11/454222011.db2.gz PCYGQTPXNXHUCW-HXUWFJFHSA-N 1 1 349.478 3.105 50 0 EGAAMO C[C@H](O)c1cccc(N2CCC(c3[nH+]ccn3CC3CC3)CC2)n1 ZINC000095505712 454223808 /nfs/dbraw/zinc/22/38/08/454223808.db2.gz NGMKDFKDGJQIBJ-AWEZNQCLSA-N 1 1 326.444 3.125 50 0 EGAAMO c1ccc([C@H]2CC[N@H+](CCNc3nccc(-c4ccccn4)n3)C2)cc1 ZINC000096149887 454293027 /nfs/dbraw/zinc/29/30/27/454293027.db2.gz KCTZJQUTSJMWIR-SFHVURJKSA-N 1 1 345.450 3.440 50 0 EGAAMO Cn1ccc2c1cccc2C(=O)NC[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000096343608 454319477 /nfs/dbraw/zinc/31/94/77/454319477.db2.gz OTNPOMCTGDFKFI-CRAIPNDOSA-N 1 1 325.456 3.173 50 0 EGAAMO Cc1[nH+]ccn1CCNC(=O)NC(c1ccccc1)c1ccccc1 ZINC000049029932 454528700 /nfs/dbraw/zinc/52/87/00/454528700.db2.gz JCVQQXWCGWTFBG-UHFFFAOYSA-N 1 1 334.423 3.280 50 0 EGAAMO CCOc1ccc([C@@H](O)C[NH+]2CCN(c3ccccc3F)CC2)cc1 ZINC000065255279 454545771 /nfs/dbraw/zinc/54/57/71/454545771.db2.gz HFOWGUWAWCYGBG-FQEVSTJZSA-N 1 1 344.430 3.080 50 0 EGAAMO Cc1nc(-c2ccc([C@H](C)[NH+]3CCOCC3)cc2)cc(-n2cccn2)n1 ZINC000065375544 454555904 /nfs/dbraw/zinc/55/59/04/454555904.db2.gz NRNPUVZYJRCQKO-HNNXBMFYSA-N 1 1 349.438 3.031 50 0 EGAAMO Cc1cccc([C@@H](C(=O)N(Cc2cncs2)C2CC2)[NH+](C)C)c1 ZINC000065398144 454560476 /nfs/dbraw/zinc/56/04/76/454560476.db2.gz FSHVFERXTHSILC-KRWDZBQOSA-N 1 1 329.469 3.245 50 0 EGAAMO Cc1cc(C)n([C@H]2CC[N@@H+](Cc3cccn3-c3nccs3)C2)n1 ZINC000065456058 454570344 /nfs/dbraw/zinc/57/03/44/454570344.db2.gz OTXAARCBPMTACF-INIZCTEOSA-N 1 1 327.457 3.194 50 0 EGAAMO O=C(NCCC1=CCC[N@H+](CCCF)C1)c1c(F)cccc1F ZINC000065469156 454572306 /nfs/dbraw/zinc/57/23/06/454572306.db2.gz ITOSHLTXOBGSQB-UHFFFAOYSA-N 1 1 326.362 3.076 50 0 EGAAMO O=C(CC[N@H+]1CCCC[C@@H]1CCc1ccccn1)Nc1nccs1 ZINC000252480003 455807538 /nfs/dbraw/zinc/80/75/38/455807538.db2.gz BRLFPXKZSBUQCO-MRXNPFEDSA-N 1 1 344.484 3.354 50 0 EGAAMO Cc1ccc(C)c(NC(=O)CCN2CC([N@@H+]3CCCC[C@@H]3C)C2)c1 ZINC000252488690 455811139 /nfs/dbraw/zinc/81/11/39/455811139.db2.gz IXADAHZEJRETEH-KRWDZBQOSA-N 1 1 329.488 3.191 50 0 EGAAMO O=C(CC[NH+]1CCCCCCC1)NCCc1nc2ccc(F)cc2[nH]1 ZINC000299773950 456781169 /nfs/dbraw/zinc/78/11/69/456781169.db2.gz GSUCTHFDWIJEMT-UHFFFAOYSA-N 1 1 346.450 3.017 50 0 EGAAMO CN(C)c1cccc(-c2ccc(C(=O)N3CC[N@H+]4CCC[C@H]4C3)cc2)c1 ZINC000426376369 457815400 /nfs/dbraw/zinc/81/54/00/457815400.db2.gz MUUPPZUHFVQZBS-NRFANRHFSA-N 1 1 349.478 3.340 50 0 EGAAMO Cc1c(CO)[nH]c2ccc(-c3cccc(C[NH+]4CCOCC4)c3)cc12 ZINC000426409551 457824205 /nfs/dbraw/zinc/82/42/05/457824205.db2.gz WGXPLLHCIZGDNQ-UHFFFAOYSA-N 1 1 336.435 3.468 50 0 EGAAMO COCCCN(Cc1ccc(C)cc1)C(=O)NC[C@H]1CCCC[N@H+]1C ZINC000426474282 457836748 /nfs/dbraw/zinc/83/67/48/457836748.db2.gz NNLOHRSWURPLNY-LJQANCHMSA-N 1 1 347.503 3.027 50 0 EGAAMO COc1ccc(C[N@@H+]2CC[C@]3(OC)CC[C@@H](OC)C[C@H]23)c(OC)c1C ZINC000426501915 457843529 /nfs/dbraw/zinc/84/35/29/457843529.db2.gz SHUGLTJUBQGOJX-IMFGXOCKSA-N 1 1 349.471 3.171 50 0 EGAAMO CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)N(Cc2ccc(O)cc2)C2CC2)C1 ZINC000584892958 459820007 /nfs/dbraw/zinc/82/00/07/459820007.db2.gz ISMJNTVBFOIETE-INIZCTEOSA-N 1 1 345.487 3.187 50 0 EGAAMO CC(=O)c1cc(C[N@H+]2CCCC[C@@H]2CCn2ccnc2C)n(C)c1 ZINC000215109092 534816854 /nfs/dbraw/zinc/81/68/54/534816854.db2.gz QUEOADAOYAJYBV-GOSISDBHSA-N 1 1 328.460 3.177 50 0 EGAAMO CC[N@@H+]1Cc2ccccc2C[C@H]1C(=O)NCc1cc2ccccc2[nH]1 ZINC000214964189 535784350 /nfs/dbraw/zinc/78/43/50/535784350.db2.gz QWCOXIRQHBRHNW-FQEVSTJZSA-N 1 1 333.435 3.231 50 0 EGAAMO CC[N@H+]1Cc2ccccc2C[C@H]1C(=O)NCc1cc2ccccc2[nH]1 ZINC000214964189 535784351 /nfs/dbraw/zinc/78/43/51/535784351.db2.gz QWCOXIRQHBRHNW-FQEVSTJZSA-N 1 1 333.435 3.231 50 0 EGAAMO Brc1cccn2c(NCc3cnc(C4CC4)nc3)c[nH+]c12 ZINC000585139135 548099748 /nfs/dbraw/zinc/09/97/48/548099748.db2.gz FZPFKWYVFSCFAL-UHFFFAOYSA-N 1 1 344.216 3.376 50 0 EGAAMO COCCc1nc([C@H]2CCCCC[N@@H+]2C)n(-c2ccc(OC)cc2)n1 ZINC000670460068 548219555 /nfs/dbraw/zinc/21/95/55/548219555.db2.gz VLKCQURWJDHJJR-QGZVFWFLSA-N 1 1 344.459 3.012 50 0 EGAAMO COCCc1nc([C@H]2CCCCC[N@H+]2C)n(-c2ccc(OC)cc2)n1 ZINC000670460068 548219559 /nfs/dbraw/zinc/21/95/59/548219559.db2.gz VLKCQURWJDHJJR-QGZVFWFLSA-N 1 1 344.459 3.012 50 0 EGAAMO CCOc1ccc(C[N@@H+]2CCc3nnc(-c4ccccc4)n3CC2)cc1 ZINC000023145952 1291230975 /nfs/dbraw/zinc/23/09/75/1291230975.db2.gz BWZRRUXFDNEWBO-UHFFFAOYSA-N 1 1 348.450 3.402 50 0 EGAAMO CC(C)[C@H]1CN(C(=O)c2ccno2)CCC[N@H+]1Cc1ccc(F)cc1 ZINC000071615010 1292267785 /nfs/dbraw/zinc/26/77/85/1292267785.db2.gz LAFJCEYXPUWLDO-QGZVFWFLSA-N 1 1 345.418 3.186 50 0 EGAAMO O=C(NCCc1cccnc1)[C@H](c1ccc(F)cc1)[NH+]1CCCCC1 ZINC000827647413 1292351533 /nfs/dbraw/zinc/35/15/33/1292351533.db2.gz IZEPCBWJWINGIO-IBGZPJMESA-N 1 1 341.430 3.107 50 0 EGAAMO Cc1[nH+]ccn1Cc1ccccc1NC(=O)c1ccc2c(c1)OCO2 ZINC000828171158 1292438058 /nfs/dbraw/zinc/43/80/58/1292438058.db2.gz MONLXMAVCFBRJF-UHFFFAOYSA-N 1 1 335.363 3.221 50 0 EGAAMO O=C(N[C@@H]1CC[N@H+](Cc2ccsc2)C1)c1cc2ccccc2o1 ZINC000618256513 1298099394 /nfs/dbraw/zinc/09/93/94/1298099394.db2.gz JJDDCXGOUDHBGV-OAHLLOKOSA-N 1 1 326.421 3.499 50 0 EGAAMO O=C(N[C@@H]1CC[N@@H+](Cc2ccsc2)C1)c1cc2ccccc2o1 ZINC000618256513 1298099406 /nfs/dbraw/zinc/09/94/06/1298099406.db2.gz JJDDCXGOUDHBGV-OAHLLOKOSA-N 1 1 326.421 3.499 50 0 EGAAMO C[NH+](C)CC(=O)Nc1ccccc1NC(=O)c1sccc1Cl ZINC000823678314 1320197668 /nfs/dbraw/zinc/19/76/68/1320197668.db2.gz HWJSDPFJCNDESI-UHFFFAOYSA-N 1 1 337.832 3.154 50 0 EGAAMO Cc1ccc(-c2nn3c(nnc3[C@H]3CCC[N@H+](C)C3)s2)cc1C ZINC000823771480 1320205237 /nfs/dbraw/zinc/20/52/37/1320205237.db2.gz SCNCMHZJGWWRMG-AWEZNQCLSA-N 1 1 327.457 3.279 50 0 EGAAMO COc1ccc(C(=O)N[C@@H]2CCC[N@@H+](Cc3cccs3)C2)cc1F ZINC000824722623 1320280285 /nfs/dbraw/zinc/28/02/85/1320280285.db2.gz CEWKVYPGTPUGDC-CQSZACIVSA-N 1 1 348.443 3.290 50 0 EGAAMO CCc1nn(C)c(Cl)c1C[NH2+][C@@H](Cn1cccn1)c1ccccc1 ZINC000952864566 1334582840 /nfs/dbraw/zinc/58/28/40/1334582840.db2.gz KGDPBGDZQGYLHQ-KRWDZBQOSA-N 1 1 343.862 3.364 50 0 EGAAMO Cc1c(NC(=O)C2CCCC2)cccc1NC(=O)[C@]1(C)CC[N@H+](C)C1 ZINC000952874119 1334585153 /nfs/dbraw/zinc/58/51/53/1334585153.db2.gz WLMQUGOKEIPISE-HXUWFJFHSA-N 1 1 343.471 3.404 50 0 EGAAMO Clc1ccccc1-c1noc(C[NH2+]C2CSCCSC2)n1 ZINC000952983600 1334629729 /nfs/dbraw/zinc/62/97/29/1334629729.db2.gz WDDDLBZCJXQOSQ-UHFFFAOYSA-N 1 1 341.889 3.328 50 0 EGAAMO O=C(c1cccs1)N1CCC[N@@H+](CCCOc2ccccc2)CC1 ZINC001194713773 1368311231 /nfs/dbraw/zinc/31/12/31/1368311231.db2.gz FJFWPQDIICBPDN-UHFFFAOYSA-N 1 1 344.480 3.365 50 0 EGAAMO O=C(N1CC[C@@H]1c1ccc(F)cc1)C1([NH+]2CCOCC2)CCCCC1 ZINC001704347777 1416451764 /nfs/dbraw/zinc/45/17/64/1416451764.db2.gz GSMINVSUJTWNJW-GOSISDBHSA-N 1 1 346.446 3.134 50 0 EGAAMO Cc1ncc(Cl)c(NC[C@@H](c2cccnc2)[NH+]2CCCCC2)n1 ZINC001772707358 1441417108 /nfs/dbraw/zinc/41/71/08/1441417108.db2.gz QUQGYQUKQRHGMK-INIZCTEOSA-N 1 1 331.851 3.473 50 0 EGAAMO O=C([C@@H]1C[C@H]1c1ccccc1)N1CCC[N@H+](C2CCSCC2)CC1 ZINC001772818662 1441417693 /nfs/dbraw/zinc/41/76/93/1441417693.db2.gz JCIOTOSEVPBDQA-RBUKOAKNSA-N 1 1 344.524 3.220 50 0 EGAAMO c1nc(C2CCN(Cc3cc(C[NH+]4CCCC4)cs3)CC2)no1 ZINC000097819686 219058393 /nfs/dbraw/zinc/05/83/93/219058393.db2.gz LSZNSFLFTYKKNA-UHFFFAOYSA-N 1 1 332.473 3.107 50 0 EGAAMO CN(CCc1ccncc1)C(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000174332877 529937183 /nfs/dbraw/zinc/93/71/83/529937183.db2.gz GKWKXLVWKHQYIW-FQEVSTJZSA-N 1 1 337.467 3.137 50 0 EGAAMO Cc1oc(-c2cccc(F)c2F)nc1C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](O)C2 ZINC000101772535 219164161 /nfs/dbraw/zinc/16/41/61/219164161.db2.gz ZTWYKJNOFHCLGY-ITGUQSILSA-N 1 1 334.366 3.416 50 0 EGAAMO COc1ccc(F)c(-c2nc(C[N@@H+]3[C@@H]4CC[C@H]3C[C@@H](O)C4)c(C)o2)c1 ZINC000102462577 219204614 /nfs/dbraw/zinc/20/46/14/219204614.db2.gz WPWJDTUZFBMOBR-WDNDVIMCSA-N 1 1 346.402 3.285 50 0 EGAAMO CCc1[nH+]ccn1Cc1nc(-c2cc(OC)ccc2OC)oc1C ZINC000067726151 215196245 /nfs/dbraw/zinc/19/62/45/215196245.db2.gz ZMZGIAGAKXMOLO-UHFFFAOYSA-N 1 1 327.384 3.474 50 0 EGAAMO Cc1c2ccccc2[nH]c1C[N@@H+]1CC[C@@H](CNC(=O)NC(C)C)C1 ZINC000067726810 215196752 /nfs/dbraw/zinc/19/67/52/215196752.db2.gz LFXOKILFWXRMBG-HNNXBMFYSA-N 1 1 328.460 3.006 50 0 EGAAMO C[N@@H+](Cc1ccc2ccccc2n1)C1CCN(C(=O)C2CCC2)CC1 ZINC000067758414 215205694 /nfs/dbraw/zinc/20/56/94/215205694.db2.gz WJHKAFQDDCRIFH-UHFFFAOYSA-N 1 1 337.467 3.458 50 0 EGAAMO CC(C)(C)OC(=O)NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1 ZINC000067801010 215215637 /nfs/dbraw/zinc/21/56/37/215215637.db2.gz XVMIRGJDFXYADQ-UHFFFAOYSA-N 1 1 326.387 3.454 50 0 EGAAMO COc1ccc2c(C)nc(N3CC([N@H+]4CCCC[C@@H]4C)C3)nc2c1 ZINC000067806002 215218103 /nfs/dbraw/zinc/21/81/03/215218103.db2.gz IIVQFFKDOMWSDQ-ZDUSSCGKSA-N 1 1 326.444 3.010 50 0 EGAAMO Cc1cccc2nc(CC[NH2+]C3CCN(Cc4ccccn4)CC3)[nH]c21 ZINC000067847036 215229014 /nfs/dbraw/zinc/22/90/14/215229014.db2.gz ZFIVAXWYVWMYQP-UHFFFAOYSA-N 1 1 349.482 3.063 50 0 EGAAMO Cc1ccncc1C(=O)NC[C@H]1CC[N@@H+](Cc2cc3ccccc3[nH]2)C1 ZINC000067872563 215237051 /nfs/dbraw/zinc/23/70/51/215237051.db2.gz AJVFHWSXWIZNKA-MRXNPFEDSA-N 1 1 348.450 3.123 50 0 EGAAMO Cc1cccc(C)c1NC(=O)NC[C@@H]1CCC[N@H+](C2CCOCC2)C1 ZINC000067885258 215240741 /nfs/dbraw/zinc/24/07/41/215240741.db2.gz REDLFJCSHKJITD-KRWDZBQOSA-N 1 1 345.487 3.316 50 0 EGAAMO C[N@H+]1CCC[C@H]1CCn1ccnc1-c1cc2c(cc1Cl)OCO2 ZINC000067966727 215262475 /nfs/dbraw/zinc/26/24/75/215262475.db2.gz TZRJBWGCDUBFTJ-LBPRGKRZSA-N 1 1 333.819 3.417 50 0 EGAAMO CSc1ccc(CN2CC[N@@H+](CCC(C)C)[C@H](CCO)C2)cc1 ZINC000104400247 219383438 /nfs/dbraw/zinc/38/34/38/219383438.db2.gz BRSPYIHZWZIYSG-GOSISDBHSA-N 1 1 336.545 3.323 50 0 EGAAMO O=C(NCCC[N@@H+]1CCO[C@H](c2ccccc2)C1)c1ccccc1F ZINC000036699946 213110591 /nfs/dbraw/zinc/11/05/91/213110591.db2.gz WIXGIWKWMXUODH-IBGZPJMESA-N 1 1 342.414 3.019 50 0 EGAAMO O=C(NCCC[N@H+]1CCO[C@H](c2ccccc2)C1)c1ccccc1F ZINC000036699946 213110595 /nfs/dbraw/zinc/11/05/95/213110595.db2.gz WIXGIWKWMXUODH-IBGZPJMESA-N 1 1 342.414 3.019 50 0 EGAAMO CCc1[nH+]ccn1CCNc1cc(-c2ccccc2)nc2ccnn21 ZINC000072133899 216023794 /nfs/dbraw/zinc/02/37/94/216023794.db2.gz LCCFRBRRTSQRNE-UHFFFAOYSA-N 1 1 332.411 3.267 50 0 EGAAMO COc1coc(C[N@H+]2CCCC[C@@H]2CCc2cccc(O)c2)cc1=O ZINC000072154562 216044107 /nfs/dbraw/zinc/04/41/07/216044107.db2.gz HFDXYVNOCHBFCN-MRXNPFEDSA-N 1 1 343.423 3.341 50 0 EGAAMO COCc1ncc(C[N@H+]2CCC[C@@H](COc3ccc(F)cc3)C2)cn1 ZINC000072156036 216045822 /nfs/dbraw/zinc/04/58/22/216045822.db2.gz DCCUZHYPIHDPIU-OAHLLOKOSA-N 1 1 345.418 3.053 50 0 EGAAMO COc1cc(CNc2[nH+]c3ccccc3n2C)cc(OC)c1OC ZINC000000068015 209398567 /nfs/dbraw/zinc/39/85/67/209398567.db2.gz MEPUBGTUTSVUCF-UHFFFAOYSA-N 1 1 327.384 3.211 50 0 EGAAMO CC(C)CC[N@H+]1CCC[C@]2(CCC(=O)N(Cc3ccncc3)C2)C1 ZINC000072425406 216216305 /nfs/dbraw/zinc/21/63/05/216216305.db2.gz SRVOVJRSWJLLGM-FQEVSTJZSA-N 1 1 329.488 3.332 50 0 EGAAMO C[C@@H]1CCCC[N@H+]1C1CN(Cc2ccc(CCC(C)(C)O)cc2)C1 ZINC000072433083 216227320 /nfs/dbraw/zinc/22/73/20/216227320.db2.gz HSUIMLYYFZOJEZ-QGZVFWFLSA-N 1 1 330.516 3.449 50 0 EGAAMO CCN(CC)C(=O)[C@@H]1CCC[N@@H+](C/C=C/c2ccccc2OC)C1 ZINC000023282002 212366424 /nfs/dbraw/zinc/36/64/24/212366424.db2.gz BWYUKIDRIHUSNP-VEGGFIAOSA-N 1 1 330.472 3.289 50 0 EGAAMO Cc1nccnc1C[N@H+]1CC[C@@](O)(c2ccccc2)[C@H]2CCCC[C@@H]21 ZINC000215162586 241111618 /nfs/dbraw/zinc/11/16/18/241111618.db2.gz HNIDBNJWGPFDRC-SESVDKBCSA-N 1 1 337.467 3.437 50 0 EGAAMO Cc1c2cccc(C)c2[nH]c1CN1CCC(O)(C[NH+]2CCCC2)CC1 ZINC000215991382 241158286 /nfs/dbraw/zinc/15/82/86/241158286.db2.gz XFVPJKHADIMGQP-UHFFFAOYSA-N 1 1 341.499 3.207 50 0 EGAAMO Cc1ccccc1-c1cccc(CN2CCN3CC[N@H+](C)C[C@@H]3C2)c1 ZINC000216011364 241159198 /nfs/dbraw/zinc/15/91/98/241159198.db2.gz LJZIALCJZPLFIH-OAQYLSRUSA-N 1 1 335.495 3.094 50 0 EGAAMO CCOCc1cc(C[N@H+]2CCC[C@H](c3noc(C)n3)C2)ccc1OC ZINC000216083375 241162492 /nfs/dbraw/zinc/16/24/92/241162492.db2.gz JYGUZSSAXVQXFG-INIZCTEOSA-N 1 1 345.443 3.303 50 0 EGAAMO Cn1ccnc1CCC[N@@H+](C)Cc1cnc(C2CCCCC2)nc1 ZINC000216511830 241197915 /nfs/dbraw/zinc/19/79/15/241197915.db2.gz QFLFEFOUSGKJCO-UHFFFAOYSA-N 1 1 327.476 3.322 50 0 EGAAMO CSc1ncc(C[NH+]2CCC(OCc3ccccc3)CC2)cn1 ZINC000216531218 241201689 /nfs/dbraw/zinc/20/16/89/241201689.db2.gz QQROREFDMGUHDE-UHFFFAOYSA-N 1 1 329.469 3.380 50 0 EGAAMO C[N@H+]1CCCC[C@H]1CC(=O)NCCc1cccc(C(F)(F)F)c1 ZINC000216540053 241202130 /nfs/dbraw/zinc/20/21/30/241202130.db2.gz ZBOSEDDSKDIBFO-HNNXBMFYSA-N 1 1 328.378 3.239 50 0 EGAAMO Cc1nc(CN(C)C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)cs1 ZINC000244774103 243078182 /nfs/dbraw/zinc/07/81/82/243078182.db2.gz POBYRTHWNMXDAF-IBGZPJMESA-N 1 1 345.512 3.174 50 0 EGAAMO CC(C)CC[N@H+]1CCN(Cc2cccc3cccnc32)C[C@@H]1CCO ZINC000020778222 212169360 /nfs/dbraw/zinc/16/93/60/212169360.db2.gz HLGFRBHRGSJQDM-FQEVSTJZSA-N 1 1 341.499 3.150 50 0 EGAAMO Cc1[nH]c2cc(C(F)(F)F)ccc2c(=O)c1CN1CC[NH+](C)CC1 ZINC000019793462 212068974 /nfs/dbraw/zinc/06/89/74/212068974.db2.gz DENMOAXETKLYEZ-UHFFFAOYSA-N 1 1 339.361 3.015 50 0 EGAAMO OCC[C@@H]1C[N@H+](C2CCCCC2)CCN1Cc1ccc(F)c(F)c1 ZINC000019790915 212067743 /nfs/dbraw/zinc/06/77/43/212067743.db2.gz SZWCNOMDBIDZLG-QGZVFWFLSA-N 1 1 338.442 3.166 50 0 EGAAMO CCOc1ccc(C[NH+]2CCN(Cc3ccccc3OC)CC2)cc1 ZINC000019788863 212066921 /nfs/dbraw/zinc/06/69/21/212066921.db2.gz FHXFCWYXPVZQHU-UHFFFAOYSA-N 1 1 340.467 3.412 50 0 EGAAMO CCOc1ccc(CN2CC[NH+](Cc3ccccc3OC)CC2)cc1 ZINC000019788863 212066923 /nfs/dbraw/zinc/06/69/23/212066923.db2.gz FHXFCWYXPVZQHU-UHFFFAOYSA-N 1 1 340.467 3.412 50 0 EGAAMO Cc1oc(-c2cc(F)ccc2F)nc1C[N@H+](C)CCn1ccnc1 ZINC000019772733 212064089 /nfs/dbraw/zinc/06/40/89/212064089.db2.gz OSVGXFIDHXYHKW-UHFFFAOYSA-N 1 1 332.354 3.257 50 0 EGAAMO Cc1oc(-c2cc(F)ccc2F)nc1C[N@@H+](C)CCn1ccnc1 ZINC000019772733 212064092 /nfs/dbraw/zinc/06/40/92/212064092.db2.gz OSVGXFIDHXYHKW-UHFFFAOYSA-N 1 1 332.354 3.257 50 0 EGAAMO C[NH+](C)C1(c2nnnn2-c2cccc(C(F)(F)F)c2)CCCC1 ZINC000013943239 211659419 /nfs/dbraw/zinc/65/94/19/211659419.db2.gz HYEOOJHDPOYONL-UHFFFAOYSA-N 1 1 325.338 3.012 50 0 EGAAMO Cc1ccc(C(=O)N[C@H]2CCC[N@@H+](CCCc3ccccc3)C2)cn1 ZINC000012453474 211387066 /nfs/dbraw/zinc/38/70/66/211387066.db2.gz CSQHVKRJAQLYKC-FQEVSTJZSA-N 1 1 337.467 3.217 50 0 EGAAMO Cc1cc(C(=O)N[C@H]2CCC[N@@H+](CCc3ccccc3)C2)c(C)o1 ZINC000012442223 211383402 /nfs/dbraw/zinc/38/34/02/211383402.db2.gz AANGVJPSFAEHHA-SFHVURJKSA-N 1 1 326.440 3.333 50 0 EGAAMO COc1ccccc1C[N@@H+]1CCC(=O)N(Cc2ccccc2F)CC1 ZINC000012183677 211312207 /nfs/dbraw/zinc/31/22/07/211312207.db2.gz AWUSPAWUCGVYLO-UHFFFAOYSA-N 1 1 342.414 3.069 50 0 EGAAMO O=C(CCc1ccco1)N[C@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000012203563 211320537 /nfs/dbraw/zinc/32/05/37/211320537.db2.gz HPJQFRGJHTUXGU-SFHVURJKSA-N 1 1 326.440 3.036 50 0 EGAAMO CCOc1cccc(C[N@H+]2CCC[C@@H](CCC(=O)NC3CC3)C2)c1 ZINC000012209201 211320587 /nfs/dbraw/zinc/32/05/87/211320587.db2.gz IFBHUGVFEWBZFX-INIZCTEOSA-N 1 1 330.472 3.356 50 0 EGAAMO COc1ccc(C(=O)[C@@H]2CCC[N@H+](Cc3ccccn3)C2)cc1F ZINC000011932838 211269474 /nfs/dbraw/zinc/26/94/74/211269474.db2.gz FHCPFBNLFXIDKA-OAHLLOKOSA-N 1 1 328.387 3.324 50 0 EGAAMO COc1ccc(C(=O)[C@@H]2CCC[N@@H+](Cc3ccccn3)C2)cc1F ZINC000011932838 211269480 /nfs/dbraw/zinc/26/94/80/211269480.db2.gz FHCPFBNLFXIDKA-OAHLLOKOSA-N 1 1 328.387 3.324 50 0 EGAAMO CCC(=O)NC[C@H](C)Oc1cccc(C[N@@H+](C)Cc2ccoc2)c1 ZINC000011880893 211265102 /nfs/dbraw/zinc/26/51/02/211265102.db2.gz QOYXBVDPSYBGPI-HNNXBMFYSA-N 1 1 330.428 3.205 50 0 EGAAMO FC(F)(F)c1ccc(CN2C[C@H]3CC[C@H](C[N@@H+]3CC3CC3)C2)cn1 ZINC000091536527 218019331 /nfs/dbraw/zinc/01/93/31/218019331.db2.gz PVPYFSKDTHNKLD-JKSUJKDBSA-N 1 1 339.405 3.407 50 0 EGAAMO Cc1ncnc(N2CCC[C@H](c3[nH+]ccn3Cc3cccnc3)C2)c1C ZINC000091643441 218036956 /nfs/dbraw/zinc/03/69/56/218036956.db2.gz SGKFLATUUHKTJS-SFHVURJKSA-N 1 1 348.454 3.117 50 0 EGAAMO CCOc1ccccc1NC(=O)N1C[C@H]2CC[C@H](C[N@@H+]2CC2CC2)C1 ZINC000091651601 218041520 /nfs/dbraw/zinc/04/15/20/218041520.db2.gz MUWJYTPCVNBJPH-IAGOWNOFSA-N 1 1 343.471 3.423 50 0 EGAAMO CCOC(=O)[C@]1(Cc2ccccc2)CCC[N@@H+](Cc2ccncc2)C1 ZINC000011665453 211231991 /nfs/dbraw/zinc/23/19/91/211231991.db2.gz UAHLWUCQZFMPGH-NRFANRHFSA-N 1 1 338.451 3.470 50 0 EGAAMO c1cn(CC2CCC2)c(C2CCN(Cc3nnc(C4CC4)o3)CC2)[nH+]1 ZINC000091872438 218080733 /nfs/dbraw/zinc/08/07/33/218080733.db2.gz XBOFKGRXGDQHNW-UHFFFAOYSA-N 1 1 341.459 3.323 50 0 EGAAMO CCC[C@@]1(CO)CCC[N@H+](Cc2nnc(-c3cccc(F)c3)o2)C1 ZINC000091964786 218095639 /nfs/dbraw/zinc/09/56/39/218095639.db2.gz XNHVFBSFMNCWLI-GOSISDBHSA-N 1 1 333.407 3.250 50 0 EGAAMO CCC[C@@]1(CO)CCC[N@@H+](Cc2nnc(-c3cccc(F)c3)o2)C1 ZINC000091964786 218095640 /nfs/dbraw/zinc/09/56/40/218095640.db2.gz XNHVFBSFMNCWLI-GOSISDBHSA-N 1 1 333.407 3.250 50 0 EGAAMO Cc1ncnc(N2CCC(c3[nH+]ccn3Cc3cccnc3)CC2)c1C ZINC000092045717 218110587 /nfs/dbraw/zinc/11/05/87/218110587.db2.gz FGZDCDNYCWAENF-UHFFFAOYSA-N 1 1 348.454 3.117 50 0 EGAAMO CC[C@@H]1CCCC[N@H+]1CCCNS(=O)(=O)Cc1ccc(C)cc1 ZINC000010544234 211180753 /nfs/dbraw/zinc/18/07/53/211180753.db2.gz VCCIDYVNTMJLPZ-GOSISDBHSA-N 1 1 338.517 3.069 50 0 EGAAMO COCCN1C[C@H]2CC[C@@H]1C[N@@H+](Cc1cccc(-c3ccco3)c1)C2 ZINC000095371512 218304048 /nfs/dbraw/zinc/30/40/48/218304048.db2.gz OOWHTPIJNAIGNQ-AZUAARDMSA-N 1 1 340.467 3.489 50 0 EGAAMO COCC[N@@H+]1C[C@H]2CC[C@@H]1CN(Cc1cccc(-c3ccco3)c1)C2 ZINC000095371512 218304050 /nfs/dbraw/zinc/30/40/50/218304050.db2.gz OOWHTPIJNAIGNQ-AZUAARDMSA-N 1 1 340.467 3.489 50 0 EGAAMO COCC[N@H+]1C[C@H]2CC[C@@H]1CN(Cc1cccc(-c3ccco3)c1)C2 ZINC000095371512 218304052 /nfs/dbraw/zinc/30/40/52/218304052.db2.gz OOWHTPIJNAIGNQ-AZUAARDMSA-N 1 1 340.467 3.489 50 0 EGAAMO O=C([O-])CC[NH+]1CCC2(CC1)C[C@@H](c1ccccc1)C[N@H+](C1CC1)C2 ZINC000095374009 218306933 /nfs/dbraw/zinc/30/69/33/218306933.db2.gz QAEMIWYRZTUKHV-GOSISDBHSA-N 1 1 342.483 3.195 50 0 EGAAMO C[NH+](C)[C@H](C(=O)NCc1ccc2cc[nH]c2c1)c1ccc(F)cc1 ZINC000095390899 218322601 /nfs/dbraw/zinc/32/26/01/218322601.db2.gz KCTFHMXBVVIJHK-SFHVURJKSA-N 1 1 325.387 3.226 50 0 EGAAMO Cc1ccc2nc([C@H](C)NC(=O)C3CC[NH+](C(C)C)CC3)[nH]c2c1 ZINC000095384795 218317169 /nfs/dbraw/zinc/31/71/69/218317169.db2.gz ZDXWKOJCSAMBRB-AWEZNQCLSA-N 1 1 328.460 3.169 50 0 EGAAMO O=C(CC[C@@H]1CCC[N@H+]2CCCC[C@H]12)NCc1cnc2c(c1)CCC2 ZINC000426707343 257957574 /nfs/dbraw/zinc/95/75/74/257957574.db2.gz DHEQJLMSFKXRTP-FXAWDEMLSA-N 1 1 341.499 3.231 50 0 EGAAMO CCN(Cc1ccc(Cl)cc1)c1cc([C@@H]2CCOC2)[nH+]c(N)n1 ZINC000426567144 257962851 /nfs/dbraw/zinc/96/28/51/257962851.db2.gz TZWOCEPNISYLQW-CYBMUJFWSA-N 1 1 332.835 3.073 50 0 EGAAMO CO[C@]12CC[N@@H+](Cc3c(C)noc3C)[C@H]1C[C@H](OCC1CC1)CC2 ZINC000299771575 258083938 /nfs/dbraw/zinc/08/39/38/258083938.db2.gz RBPGDJZLCURLMQ-NZSAHSFTSA-N 1 1 334.460 3.230 50 0 EGAAMO CCc1[nH+]ccn1CCC(=O)NC1(Cc2ccc(Cl)cc2)CC1 ZINC000299772564 258085060 /nfs/dbraw/zinc/08/50/60/258085060.db2.gz BPMABMCKAUECDY-UHFFFAOYSA-N 1 1 331.847 3.381 50 0 EGAAMO COc1cc(C)ccc1OCC[N@@H+]1CC[C@]2(OC)CC[C@@H](OC)C[C@H]12 ZINC000299792048 258097258 /nfs/dbraw/zinc/09/72/58/258097258.db2.gz DZQZNKRGOLGLFK-LSTHTHJFSA-N 1 1 349.471 3.041 50 0 EGAAMO CC[C@@H](CO)[N@@H+](Cc1cccnc1)Cc1cccc(-n2cccn2)c1 ZINC000055061151 258061296 /nfs/dbraw/zinc/06/12/96/258061296.db2.gz XZWIGPKYVXGOAY-IBGZPJMESA-N 1 1 336.439 3.040 50 0 EGAAMO CC[C@H](C(=O)NC1CCCCC1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000057291796 132199245 /nfs/dbraw/zinc/19/92/45/132199245.db2.gz CILUUOFIYASNEE-LJQANCHMSA-N 1 1 347.478 3.175 50 0 EGAAMO COc1ccc(-n2cccn2)c(C[N@@H+]2CCc3nc[nH]c3[C@@H]2C2CC2)c1 ZINC000071763501 274105360 /nfs/dbraw/zinc/10/53/60/274105360.db2.gz NLJMYOPVUMQPRL-FQEVSTJZSA-N 1 1 349.438 3.113 50 0 EGAAMO COc1ccc(-n2cccn2)c(C[N@H+]2CCc3nc[nH]c3[C@@H]2C2CC2)c1 ZINC000071763501 274105361 /nfs/dbraw/zinc/10/53/61/274105361.db2.gz NLJMYOPVUMQPRL-FQEVSTJZSA-N 1 1 349.438 3.113 50 0 EGAAMO CC[C@@H](Oc1cc(Cl)ccc1Cl)C(=O)N1CCC[N@@H+](C)CC1 ZINC000015952190 453589342 /nfs/dbraw/zinc/58/93/42/453589342.db2.gz ZYDJWEGWPUUQER-CQSZACIVSA-N 1 1 345.270 3.315 50 0 EGAAMO C[N@@H+](CCOC(=O)C(O)(c1ccccc1)c1ccccc1)C(C)(C)C ZINC000001899878 452680405 /nfs/dbraw/zinc/68/04/05/452680405.db2.gz AYAGMQGKUOLJDA-UHFFFAOYSA-N 1 1 341.451 3.196 50 0 EGAAMO Cc1ccc2c(c1)[C@@H]1C[N@@H+](C)CC[C@@H]1N2C(=O)c1ccn(C(F)F)n1 ZINC000002793169 452724588 /nfs/dbraw/zinc/72/45/88/452724588.db2.gz SPBUKKYCEGEMTD-BBRMVZONSA-N 1 1 346.381 3.035 50 0 EGAAMO CC(C)[N@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccccn2)N3)C1 ZINC000006417153 452942782 /nfs/dbraw/zinc/94/27/82/452942782.db2.gz BQBZZLKSTOEYMF-OAHLLOKOSA-N 1 1 328.441 3.339 50 0 EGAAMO CCOC(=O)[C@H]1CCC[N@@H+](CCCCOc2ccccc2OC)C1 ZINC000006701280 452971796 /nfs/dbraw/zinc/97/17/96/452971796.db2.gz YGMAVTIVYJHKGI-INIZCTEOSA-N 1 1 335.444 3.129 50 0 EGAAMO CCc1ccc2[nH]c(C)c(C[N@@H+](C)C3CCN(C)CC3)c(=O)c2c1 ZINC000008714154 453225872 /nfs/dbraw/zinc/22/58/72/453225872.db2.gz VXJVUTWEOJXKPQ-UHFFFAOYSA-N 1 1 327.472 3.337 50 0 EGAAMO CCc1ccc2[nH]c(C)c(CN(C)C3CC[NH+](C)CC3)c(=O)c2c1 ZINC000008714154 453225877 /nfs/dbraw/zinc/22/58/77/453225877.db2.gz VXJVUTWEOJXKPQ-UHFFFAOYSA-N 1 1 327.472 3.337 50 0 EGAAMO COc1ccc(OC)c(NC(=O)NC[C@@H]2CC[N@H+](C3CCCC3)C2)c1 ZINC000016622122 453616200 /nfs/dbraw/zinc/61/62/00/453616200.db2.gz HZGRWIJCHDADGU-AWEZNQCLSA-N 1 1 347.459 3.090 50 0 EGAAMO O=C(CCCC[NH+]1CCOCC1)Nc1ccc(-c2cccnc2)cc1 ZINC000043205680 454047995 /nfs/dbraw/zinc/04/79/95/454047995.db2.gz XCHIZTUBUXZESJ-UHFFFAOYSA-N 1 1 339.439 3.190 50 0 in-vitro EGAAMO Cc1[nH+]ccn1CCC(=O)N1CCC[C@@H](COc2cccc(C)c2)C1 ZINC000077357994 454097020 /nfs/dbraw/zinc/09/70/20/454097020.db2.gz IVHYGKHCCKDPDK-GOSISDBHSA-N 1 1 341.455 3.208 50 0 EGAAMO Cc1cc(C(=O)N2CC[C@@H]3CC[C@H](C2)[N@H+]3C)c2ccc(C)c(C)c2n1 ZINC000077408355 454102787 /nfs/dbraw/zinc/10/27/87/454102787.db2.gz TZHDWMSMIRKMJF-DLBZAZTESA-N 1 1 337.467 3.469 50 0 EGAAMO Cc1[nH+]ccn1CC[C@@H]1CCCCN1Cc1noc(CC(C)C)n1 ZINC000077504664 454115551 /nfs/dbraw/zinc/11/55/51/454115551.db2.gz PPOMONCOEQXBDE-INIZCTEOSA-N 1 1 331.464 3.218 50 0 EGAAMO CC[C@@H]1C[N@@H+](CCc2cscn2)CCC(=O)N1Cc1ccccc1 ZINC000071589471 454209422 /nfs/dbraw/zinc/20/94/22/454209422.db2.gz YYOKFLQMCATSHD-GOSISDBHSA-N 1 1 343.496 3.199 50 0 EGAAMO CC(C)c1nccc(C[N@H+]2CCC(=O)N(CC3CC3)[C@@H](C(C)C)C2)n1 ZINC000071747911 454212678 /nfs/dbraw/zinc/21/26/78/454212678.db2.gz BKIVQGMBMSFAJE-GOSISDBHSA-N 1 1 344.503 3.069 50 0 EGAAMO CCOc1ncccc1C(=O)N1CCC[N@@H+](CC2CC2)[C@@H](C(C)C)C1 ZINC000071750579 454213401 /nfs/dbraw/zinc/21/34/01/454213401.db2.gz XVFKOFONLWJEBT-GOSISDBHSA-N 1 1 345.487 3.063 50 0 EGAAMO Cc1ccc2nc(C)c(C)c(C(=O)N3CCC[N@H+]4CCC[C@H]4C3)c2c1 ZINC000095498300 454221947 /nfs/dbraw/zinc/22/19/47/454221947.db2.gz YOSJTAISBKWIBF-KRWDZBQOSA-N 1 1 337.467 3.470 50 0 EGAAMO C[C@H](NC(=O)CC[C@@H]1CCC[N@H+]2CCCC[C@H]12)[C@H](O)c1ccccc1 ZINC000095502181 454222924 /nfs/dbraw/zinc/22/29/24/454222924.db2.gz CQYZUMMWKBFYND-NEOGFGCTSA-N 1 1 344.499 3.269 50 0 EGAAMO Cc1[nH]c2c(cccc2C(=O)N2CC([N@@H+]3CCCC[C@H]3C)C2)c1C ZINC000096166721 454296490 /nfs/dbraw/zinc/29/64/90/454296490.db2.gz FFATUVYNJOQZPL-CYBMUJFWSA-N 1 1 325.456 3.484 50 0 EGAAMO COCC[N@H+]1CC[C@H](CN(C)Cc2cccc(Cl)c2Cl)C1 ZINC000097076838 454400482 /nfs/dbraw/zinc/40/04/82/454400482.db2.gz SEULYVMTCKCLLK-CYBMUJFWSA-N 1 1 331.287 3.394 50 0 EGAAMO CCc1nn(C)c(Cl)c1C[N@H+]1CC[C@@H](Cc2ccc(CO)cc2)C1 ZINC000091288714 454422929 /nfs/dbraw/zinc/42/29/29/454422929.db2.gz QBDIKQQXUIRGHD-INIZCTEOSA-N 1 1 347.890 3.193 50 0 EGAAMO O=C(NCC1=CCC[N@@H+](Cc2ccc3ccccc3n2)C1)c1ccco1 ZINC000065373581 454554847 /nfs/dbraw/zinc/55/48/47/454554847.db2.gz BTJRBGONTQSXSK-UHFFFAOYSA-N 1 1 347.418 3.390 50 0 EGAAMO COc1ccc(CNC(=O)[C@@H](c2cccc(C)c2)[NH+](C)C)c(F)c1F ZINC000065419032 454563962 /nfs/dbraw/zinc/56/39/62/454563962.db2.gz PZNQPQZZIPQYAH-GOSISDBHSA-N 1 1 348.393 3.201 50 0 EGAAMO Cc1nnc([C@@H]2CCC[N@@H+]2CCC(=O)Nc2cccc3ccccc32)[nH]1 ZINC000252494495 455813332 /nfs/dbraw/zinc/81/33/32/455813332.db2.gz NXKKDTYCHMTOHP-SFHVURJKSA-N 1 1 349.438 3.432 50 0 EGAAMO Cc1nnc([C@@H]2CCC[N@H+]2CCC(=O)Nc2cccc3ccccc32)[nH]1 ZINC000252494495 455813335 /nfs/dbraw/zinc/81/33/35/455813335.db2.gz NXKKDTYCHMTOHP-SFHVURJKSA-N 1 1 349.438 3.432 50 0 EGAAMO Cc1c(C(=O)NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)ccn1C ZINC000195127005 455924679 /nfs/dbraw/zinc/92/46/79/455924679.db2.gz VWINRDCYLOSCEL-UHFFFAOYSA-N 1 1 347.409 3.006 50 0 EGAAMO CCN(C)Cc1nc([C@H]2C[C@@H](c3ccccc3)[N@H+]3CCC[C@H]23)no1 ZINC000299764285 456780979 /nfs/dbraw/zinc/78/09/79/456780979.db2.gz ZDEQEIHQLYENEV-BBWFWOEESA-N 1 1 326.444 3.214 50 0 EGAAMO CC1(C)CC(CC(=O)NCc2ccc3nc[nH]c3c2)CC(C)(C)[NH2+]1 ZINC000426359546 457810210 /nfs/dbraw/zinc/81/02/10/457810210.db2.gz DALCNAXLCCJEER-UHFFFAOYSA-N 1 1 328.460 3.126 50 0 EGAAMO CO[C@]12CC[N@H+](Cc3cscn3)[C@H]1C[C@H](Oc1ccccn1)CC2 ZINC000426405756 457822306 /nfs/dbraw/zinc/82/23/06/457822306.db2.gz QYSPKPDMLREHGB-SOLBZPMBSA-N 1 1 345.468 3.129 50 0 EGAAMO CO[C@]12CC[N@@H+](Cc3cscn3)[C@H]1C[C@H](Oc1ccccn1)CC2 ZINC000426405756 457822314 /nfs/dbraw/zinc/82/23/14/457822314.db2.gz QYSPKPDMLREHGB-SOLBZPMBSA-N 1 1 345.468 3.129 50 0 EGAAMO O=C(NCC[N@H+]1CCC[C@@H](c2ccccc2)C1)c1cc(Cl)c[nH]1 ZINC000426477316 457839301 /nfs/dbraw/zinc/83/93/01/457839301.db2.gz BPPFPKXIJRYLMH-OAHLLOKOSA-N 1 1 331.847 3.278 50 0 EGAAMO Cc1ccc2nc(CN(C)C(=O)CC[C@@H](C)[NH+]3CCCC3)[nH]c2c1 ZINC000426597455 457860103 /nfs/dbraw/zinc/86/01/03/457860103.db2.gz VYSMVGYTOVKDLN-OAHLLOKOSA-N 1 1 328.460 3.094 50 0 EGAAMO O=C(CCCc1cccs1)N[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000534652374 459342753 /nfs/dbraw/zinc/34/27/53/459342753.db2.gz VTHIEAXHRLUXTN-QGZVFWFLSA-N 1 1 343.496 3.247 50 0 EGAAMO O=C(CCCc1cccs1)N[C@@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000534652374 459342757 /nfs/dbraw/zinc/34/27/57/459342757.db2.gz VTHIEAXHRLUXTN-QGZVFWFLSA-N 1 1 343.496 3.247 50 0 EGAAMO O=C(Nc1ccc2[nH]ccc2c1)N1CCC[N@H+](Cc2ccccn2)CC1 ZINC000095510261 527265594 /nfs/dbraw/zinc/26/55/94/527265594.db2.gz SONMYEUDMWUAGO-UHFFFAOYSA-N 1 1 349.438 3.303 50 0 EGAAMO O=C(Nc1ccc2[nH]ccc2c1)N1CCC[N@@H+](Cc2ccccn2)CC1 ZINC000095510261 527265601 /nfs/dbraw/zinc/26/56/01/527265601.db2.gz SONMYEUDMWUAGO-UHFFFAOYSA-N 1 1 349.438 3.303 50 0 EGAAMO COc1ccc(-c2ccc(C[N@@H+](C)CCc3cnn(C)c3)o2)cc1 ZINC000215559727 536895840 /nfs/dbraw/zinc/89/58/40/536895840.db2.gz HYAUKOMJHXLEHE-UHFFFAOYSA-N 1 1 325.412 3.363 50 0 EGAAMO COC[C@@H]1CCC[N@@H+](Cc2ccc3cc(NC(C)=O)ccc3n2)C1 ZINC000670443405 548215474 /nfs/dbraw/zinc/21/54/74/548215474.db2.gz WINJHDUZXWALNW-OAHLLOKOSA-N 1 1 327.428 3.052 50 0 EGAAMO COc1ccc(-c2n[nH]cc2C[N@H+]2CCCC[C@H]2CCCO)cc1F ZINC000012316749 1291132027 /nfs/dbraw/zinc/13/20/27/1291132027.db2.gz CFPWCHGSKOFOAJ-INIZCTEOSA-N 1 1 347.434 3.351 50 0 EGAAMO Cc1ccccc1NC(=O)CCNC(=O)[C@@H](C)n1cc[nH+]c1C(C)C ZINC000828075041 1292428065 /nfs/dbraw/zinc/42/80/65/1292428065.db2.gz BMHLCLRJEHRMHR-OAHLLOKOSA-N 1 1 342.443 3.021 50 0 EGAAMO O=C(CCc1c[nH]c2ccccc12)NC[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000888090775 1304031789 /nfs/dbraw/zinc/03/17/89/1304031789.db2.gz UGLTXFFWLKQRNL-XLIONFOSSA-N 1 1 339.483 3.481 50 0 EGAAMO Cc1nn(C)c(C)c1C[N@@H+](Cc1cc2ccccc2[nH]c1=O)C1CC1 ZINC000952975287 1334628466 /nfs/dbraw/zinc/62/84/66/1334628466.db2.gz STPAQPFESBUCGH-UHFFFAOYSA-N 1 1 336.439 3.455 50 0 EGAAMO C[C@H](c1ccc2c(c1)OCCO2)[N@@H+](C)Cc1cccc2nonc21 ZINC000952978897 1334629403 /nfs/dbraw/zinc/62/94/03/1334629403.db2.gz SLBFTWLAKOZOLE-GFCCVEGCSA-N 1 1 325.368 3.187 50 0 EGAAMO COc1cccc(CCCNC(=O)[C@H](c2ccccc2C)[NH+](C)C)c1 ZINC000952991703 1334631942 /nfs/dbraw/zinc/63/19/42/1334631942.db2.gz RPZYCTRYMOMQEA-FQEVSTJZSA-N 1 1 340.467 3.355 50 0 EGAAMO O[C@@H]1CCC[C@]12CCC[N@@H+](Cc1ccc3c(c1)OC(F)(F)O3)C2 ZINC001704296981 1416433112 /nfs/dbraw/zinc/43/31/12/1416433112.db2.gz BANKRPSCBLUAHO-HZPDHXFCSA-N 1 1 325.355 3.135 50 0 EGAAMO CCOc1ccc(C[N@H+]2CCC[C@]3(CCC[C@H]3OC)C2)cc1CO ZINC001704298895 1416433134 /nfs/dbraw/zinc/43/31/34/1416433134.db2.gz OGBIDSTXHMPPTH-WOJBJXKFSA-N 1 1 333.472 3.359 50 0 EGAAMO CC(=O)N1C[C@H]2CC[C@H](C[N@H+]2Cc2ccc3cccc(Cl)c3n2)C1 ZINC001704349983 1416452849 /nfs/dbraw/zinc/45/28/49/1416452849.db2.gz MSPSIOJJRLROPF-WMLDXEAASA-N 1 1 343.858 3.331 50 0 EGAAMO CC(=O)N1C[C@H]2CC[C@H](C[N@@H+]2Cc2ccc3cccc(Cl)c3n2)C1 ZINC001704349983 1416452850 /nfs/dbraw/zinc/45/28/50/1416452850.db2.gz MSPSIOJJRLROPF-WMLDXEAASA-N 1 1 343.858 3.331 50 0 EGAAMO Cc1ncc(Cl)c(NC[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)n1 ZINC001772711310 1441417330 /nfs/dbraw/zinc/41/73/30/1441417330.db2.gz BBBKCVCKGDQMDC-INIZCTEOSA-N 1 1 346.862 3.141 50 0 EGAAMO CCC[N@H+]1C[C@H]2CN(c3cnccn3)C[C@]2(CCc2ccccc2)C1 ZINC001772806181 1441417413 /nfs/dbraw/zinc/41/74/13/1441417413.db2.gz VHMNLVDVYMDDJV-FPOVZHCZSA-N 1 1 336.483 3.258 50 0 EGAAMO CC(C)c1nnsc1C[NH2+]Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000055243860 214293777 /nfs/dbraw/zinc/29/37/77/214293777.db2.gz UPMYTVLZCHGMOC-UHFFFAOYSA-N 1 1 331.420 3.481 50 0 EGAAMO CC[N@H+]1CCCC[C@H]1C(=O)NCc1cc(F)ccc1C(F)(F)F ZINC000097775656 219056864 /nfs/dbraw/zinc/05/68/64/219056864.db2.gz RRLJHKCAWBIPNP-AWEZNQCLSA-N 1 1 332.341 3.335 50 0 EGAAMO COc1ccc(/C=C(/C(=O)N2CC[NH+](C)CC2)c2ccccc2)cc1 ZINC000057547355 214435150 /nfs/dbraw/zinc/43/51/50/214435150.db2.gz LCMXWJUVMVIAKI-CAPFRKAQSA-N 1 1 336.435 3.010 50 0 EGAAMO O=C(NC[C@H]1CC[N@H+](Cc2ccccc2F)C1)c1ccncc1Cl ZINC000067472730 215150535 /nfs/dbraw/zinc/15/05/35/215150535.db2.gz ZGDVOBVOHMQELQ-CYBMUJFWSA-N 1 1 347.821 3.126 50 0 EGAAMO Cc1ncc(CO)c(C[N@H+]2CCCC[C@H]2c2ccc(F)cc2)c1O ZINC000067675008 215180322 /nfs/dbraw/zinc/18/03/22/215180322.db2.gz KWUWWQLMNYPNPV-SFHVURJKSA-N 1 1 330.403 3.454 50 0 EGAAMO Cc1ccoc1C(=O)NC[C@@H]1CC[N@@H+](Cc2ccc3ccccc3n2)C1 ZINC000067725999 215196155 /nfs/dbraw/zinc/19/61/55/215196155.db2.gz ZTFGJGWMHXJYBA-INIZCTEOSA-N 1 1 349.434 3.388 50 0 EGAAMO C[N@H+]1CCCC[C@H]1CCC(=O)NCc1c[nH]nc1-c1cccs1 ZINC000067756796 215205207 /nfs/dbraw/zinc/20/52/07/215205207.db2.gz RBMXDDSZQDHDQE-AWEZNQCLSA-N 1 1 332.473 3.019 50 0 EGAAMO COc1ccc2[nH]c(CNC(=O)[C@H](C)n3cc[nH+]c3C(C)C)cc2c1 ZINC000067818145 215219757 /nfs/dbraw/zinc/21/97/57/215219757.db2.gz RVTPFLJWOSNVRG-ZDUSSCGKSA-N 1 1 340.427 3.374 50 0 EGAAMO Cc1ncc(C[N@H+]2CC[C@@]3(C2)CCCN(C(=O)OCC(C)(C)C)C3)[nH]1 ZINC000067834051 215225126 /nfs/dbraw/zinc/22/51/26/215225126.db2.gz FSBZKMGZSZGEAC-LJQANCHMSA-N 1 1 348.491 3.189 50 0 EGAAMO Cc1nc(C[N@@H+]2CC[C@@]3(C2)CCCN(C(=O)OCC(C)(C)C)C3)c[nH]1 ZINC000067834051 215225130 /nfs/dbraw/zinc/22/51/30/215225130.db2.gz FSBZKMGZSZGEAC-LJQANCHMSA-N 1 1 348.491 3.189 50 0 EGAAMO Cc1nc(C[N@H+]2CC[C@@]3(C2)CCCN(C(=O)OCC(C)(C)C)C3)c[nH]1 ZINC000067834051 215225131 /nfs/dbraw/zinc/22/51/31/215225131.db2.gz FSBZKMGZSZGEAC-LJQANCHMSA-N 1 1 348.491 3.189 50 0 EGAAMO c1ccc(C[N@@H+]2CC[C@@H](NCc3noc(C4CCCC4)n3)C2)cc1 ZINC000067921342 215251378 /nfs/dbraw/zinc/25/13/78/215251378.db2.gz SLURSUDLEZQUIU-QGZVFWFLSA-N 1 1 326.444 3.091 50 0 EGAAMO CCOc1ccccc1CN1CC[N@H+](C2CCCCC2)C[C@H]1CCO ZINC000104465593 219388693 /nfs/dbraw/zinc/38/86/93/219388693.db2.gz VXOXCYAPUDDVOF-HXUWFJFHSA-N 1 1 346.515 3.287 50 0 EGAAMO CC(C)[N@H+]1CCN(Cc2cccc(-c3ccco3)c2)C[C@H]1CCO ZINC000104503905 219392027 /nfs/dbraw/zinc/39/20/27/219392027.db2.gz RVDYIGTWGYRGGN-LJQANCHMSA-N 1 1 328.456 3.224 50 0 EGAAMO CCNc1cc(NCCNC(=O)Nc2cccc(C)c2C)[nH+]c(C)n1 ZINC000036708111 213111877 /nfs/dbraw/zinc/11/18/77/213111877.db2.gz MKJHDGFFXQTGLB-UHFFFAOYSA-N 1 1 342.447 3.067 50 0 EGAAMO CC(C)(C)c1cc(C[N@H+]2CCC[C@]3(C2)c2ccccc2NC3=O)[nH]n1 ZINC000072140087 216026546 /nfs/dbraw/zinc/02/65/46/216026546.db2.gz LQZLHWZNWNSLSA-FQEVSTJZSA-N 1 1 338.455 3.193 50 0 EGAAMO CCCCc1nc(Cl)c(C[NH2+][C@H]2CC(=O)N(c3ccccc3)C2)[nH]1 ZINC000072137402 216024551 /nfs/dbraw/zinc/02/45/51/216024551.db2.gz DANHEZAZPYBBLC-ZDUSSCGKSA-N 1 1 346.862 3.301 50 0 EGAAMO CCn1ccc2c1cccc2C[N@H+]1CCC[C@@]2(CN(C)C(=O)O2)CC1 ZINC000072151949 216041181 /nfs/dbraw/zinc/04/11/81/216041181.db2.gz IFPCKGLKTQUEEX-FQEVSTJZSA-N 1 1 341.455 3.468 50 0 EGAAMO CCn1ccc2c1cccc2C[N@H+]1CCC[C@]2(CN(C)C(=O)O2)CC1 ZINC000072151948 216041332 /nfs/dbraw/zinc/04/13/32/216041332.db2.gz IFPCKGLKTQUEEX-HXUWFJFHSA-N 1 1 341.455 3.468 50 0 EGAAMO FC(F)Oc1cccc(C[N@H+]2CCCN(Cc3ccncc3)CC2)c1 ZINC000072149068 216036145 /nfs/dbraw/zinc/03/61/45/216036145.db2.gz UVEUUJULRRJCJY-UHFFFAOYSA-N 1 1 347.409 3.391 50 0 EGAAMO FC(F)Oc1cccc(CN2CCC[N@H+](Cc3ccncc3)CC2)c1 ZINC000072149068 216036149 /nfs/dbraw/zinc/03/61/49/216036149.db2.gz UVEUUJULRRJCJY-UHFFFAOYSA-N 1 1 347.409 3.391 50 0 EGAAMO FC(F)Oc1cccc(CN2CCC[N@@H+](Cc3ccncc3)CC2)c1 ZINC000072149068 216036152 /nfs/dbraw/zinc/03/61/52/216036152.db2.gz UVEUUJULRRJCJY-UHFFFAOYSA-N 1 1 347.409 3.391 50 0 EGAAMO O=C(CC[N@@H+]1CCC[C@@H](CCc2ccccc2F)C1)N1CCCC1 ZINC000072156646 216045215 /nfs/dbraw/zinc/04/52/15/216045215.db2.gz OIYBLNPCUGYSBK-KRWDZBQOSA-N 1 1 332.463 3.483 50 0 EGAAMO CC[N@@H+](Cc1ccncc1)[C@@H]1CCCN(c2noc(C(C)C)n2)C1 ZINC000072166792 216056802 /nfs/dbraw/zinc/05/68/02/216056802.db2.gz XPVDKDWLFITOFX-MRXNPFEDSA-N 1 1 329.448 3.079 50 0 EGAAMO CN1C[C@@]2(CCC[N@@H+](Cc3nc4ccccc4s3)CC2)OC1=O ZINC000072169545 216060698 /nfs/dbraw/zinc/06/06/98/216060698.db2.gz UTJWAXYMUVKZSI-KRWDZBQOSA-N 1 1 331.441 3.103 50 0 EGAAMO CCCCC[N@H+]1CCC[C@@]2(CCC(=O)N(Cc3ccncc3)C2)C1 ZINC000072410272 216201998 /nfs/dbraw/zinc/20/19/98/216201998.db2.gz OURMPJSKMXABBV-HXUWFJFHSA-N 1 1 329.488 3.476 50 0 EGAAMO C[C@H]1CCCC[N@H+]1C1CN(C(=O)c2ccc(CCC(C)(C)O)cc2)C1 ZINC000072411305 216203691 /nfs/dbraw/zinc/20/36/91/216203691.db2.gz WLOQGYJNZBHAHF-INIZCTEOSA-N 1 1 344.499 3.089 50 0 EGAAMO COc1ccc(CN2CC[N@@H+](CCC=C(C)C)C[C@@H]2CCO)cc1C ZINC000072480053 216260576 /nfs/dbraw/zinc/26/05/76/216260576.db2.gz KKKWQIVVVZGRPK-FQEVSTJZSA-N 1 1 346.515 3.229 50 0 EGAAMO OCC[C@@H]1CN(C/C=C/c2ccccc2)CC[N@H+]1Cc1cccs1 ZINC000023358798 212371097 /nfs/dbraw/zinc/37/10/97/212371097.db2.gz PIWFYVRZNQCJGD-RRGNZLCHSA-N 1 1 342.508 3.330 50 0 EGAAMO C[C@@H]1[C@H]2CCC[N@H+]2CCN1Cc1ccc(F)c(Br)c1 ZINC000022078333 212276480 /nfs/dbraw/zinc/27/64/80/212276480.db2.gz NJFNVSBTPDQWGG-IAQYHMDHSA-N 1 1 327.241 3.257 50 0 EGAAMO Cc1cc(C)n(-c2ccc(F)cc2C[N@@H+](C)CCn2ccnc2C)n1 ZINC000216472950 241194595 /nfs/dbraw/zinc/19/45/95/241194595.db2.gz GQIORLYGPMEBPK-UHFFFAOYSA-N 1 1 341.434 3.265 50 0 EGAAMO CN(Cc1ccc2c(c1)CN(C)C2)C(=O)CC[NH+]1CCCCCCC1 ZINC000219292645 241375075 /nfs/dbraw/zinc/37/50/75/241375075.db2.gz OBMCPKNBPPDKHR-UHFFFAOYSA-N 1 1 343.515 3.247 50 0 EGAAMO OCC[C@H]1C[N@@H+](Cc2ccccc2)CCN1Cc1ccc(F)c(F)c1 ZINC000020996300 212195928 /nfs/dbraw/zinc/19/59/28/212195928.db2.gz XUDAGEMSDOEWDK-SFHVURJKSA-N 1 1 346.421 3.034 50 0 EGAAMO O=C(Cc1cccs1)N1CCC[N@@H+](Cc2ccccc2F)CC1 ZINC000243901492 243033609 /nfs/dbraw/zinc/03/36/09/243033609.db2.gz BBWNXQYHRGMLHN-UHFFFAOYSA-N 1 1 332.444 3.164 50 0 EGAAMO O=C(Cc1cccs1)N1CCC[N@H+](Cc2ccccc2F)CC1 ZINC000243901492 243033614 /nfs/dbraw/zinc/03/36/14/243033614.db2.gz BBWNXQYHRGMLHN-UHFFFAOYSA-N 1 1 332.444 3.164 50 0 EGAAMO CN1CC[NH+](CCCOc2ccccc2OCc2ccccc2)CC1 ZINC000020639473 212158732 /nfs/dbraw/zinc/15/87/32/212158732.db2.gz ACCBPYRVWPBUTJ-UHFFFAOYSA-N 1 1 340.467 3.282 50 0 EGAAMO COc1ccccc1N1CC[N@H+](Cc2[nH]cc(C)c(=O)c2C)[C@H](C)C1 ZINC000253537106 244017167 /nfs/dbraw/zinc/01/71/67/244017167.db2.gz XRPADCCMUCROBK-OAHLLOKOSA-N 1 1 341.455 3.123 50 0 EGAAMO COc1ccccc1N1CC[N@@H+](Cc2[nH]cc(C)c(=O)c2C)[C@H](C)C1 ZINC000253537106 244017173 /nfs/dbraw/zinc/01/71/73/244017173.db2.gz XRPADCCMUCROBK-OAHLLOKOSA-N 1 1 341.455 3.123 50 0 EGAAMO Clc1ccc(OCCCC[NH+]2CCNCC2)c(Br)c1 ZINC000020272641 212115585 /nfs/dbraw/zinc/11/55/85/212115585.db2.gz SZOVFJLRENSPOB-UHFFFAOYSA-N 1 1 347.684 3.167 50 0 EGAAMO C[C@H]1C[N@H+](Cc2ccccc2)CCN1CC(=O)c1ccc(F)cc1 ZINC000019894106 212080140 /nfs/dbraw/zinc/08/01/40/212080140.db2.gz DELKHQOLDUKAKC-INIZCTEOSA-N 1 1 326.415 3.215 50 0 EGAAMO C[C@H]1C[N@@H+](Cc2ccccc2)CCN1CC(=O)c1ccc(F)cc1 ZINC000019894106 212080145 /nfs/dbraw/zinc/08/01/45/212080145.db2.gz DELKHQOLDUKAKC-INIZCTEOSA-N 1 1 326.415 3.215 50 0 EGAAMO COc1ccccc1CN1CC[NH+](Cc2ccccc2OC)CC1 ZINC000019570490 212044518 /nfs/dbraw/zinc/04/45/18/212044518.db2.gz BNZCJCZWYPCMPE-UHFFFAOYSA-N 1 1 326.440 3.022 50 0 EGAAMO CC(C)C(=O)NC[C@H](C)Oc1cccc(C[N@@H+](C)Cc2ccoc2)c1 ZINC000011910790 211267330 /nfs/dbraw/zinc/26/73/30/211267330.db2.gz JTDGYLXENLVVBQ-INIZCTEOSA-N 1 1 344.455 3.451 50 0 EGAAMO CCCc1cc(C(=O)NC[C@H](c2ccccc2F)[NH+]2CCCC2)[nH]n1 ZINC000091574405 218023285 /nfs/dbraw/zinc/02/32/85/218023285.db2.gz FQAKAPZIBGCKNR-GOSISDBHSA-N 1 1 344.434 3.068 50 0 EGAAMO CC(C)[C@H]1C[N@@H+](CCCC(F)(F)F)C[C@@H]1NC(=O)c1ccoc1 ZINC000091643405 218037085 /nfs/dbraw/zinc/03/70/85/218037085.db2.gz XBGBMFFDAVBGDE-KGLIPLIRSA-N 1 1 332.366 3.308 50 0 EGAAMO Cc1cccc(Cl)c1OCCNC(=O)CC[C@H]1CCC[N@H+](C)C1 ZINC000091664323 218042910 /nfs/dbraw/zinc/04/29/10/218042910.db2.gz JZUABLCARHEPPK-OAHLLOKOSA-N 1 1 338.879 3.265 50 0 EGAAMO COCCC[C@@]1(CO)CCC[N@@H+](CCOc2ccc(Cl)cc2)C1 ZINC000091755827 218060528 /nfs/dbraw/zinc/06/05/28/218060528.db2.gz GJWDLXOVSUFXDE-SFHVURJKSA-N 1 1 341.879 3.220 50 0 EGAAMO CCC[C@]1(CO)CCC[N@@H+](Cc2cc(OC)c(OC)cc2F)C1 ZINC000092082084 218117509 /nfs/dbraw/zinc/11/75/09/218117509.db2.gz IEBUETDQVMGPDE-SFHVURJKSA-N 1 1 325.424 3.218 50 0 EGAAMO C[N@H+]1CCC[C@H](CCC(=O)NCCc2ccccc2C(F)(F)F)C1 ZINC000095380457 218312408 /nfs/dbraw/zinc/31/24/08/218312408.db2.gz POJIEXHELYRERJ-CQSZACIVSA-N 1 1 342.405 3.486 50 0 EGAAMO Cc1noc2nc(C)nc(N3CC[NH+](C/C=C/c4ccccc4)CC3)c12 ZINC000095375768 218309232 /nfs/dbraw/zinc/30/92/32/218309232.db2.gz QNANSQJKBHDANS-RMKNXTFCSA-N 1 1 349.438 3.070 50 0 EGAAMO C[C@H](O)c1cccc(N2CC[NH+](Cc3cccc(Cl)c3)CC2)n1 ZINC000095388625 218320830 /nfs/dbraw/zinc/32/08/30/218320830.db2.gz CTBVCIMGGKBMAF-AWEZNQCLSA-N 1 1 331.847 3.111 50 0 EGAAMO COc1ccc2[nH]c(C(=O)NC[C@@H]3CCC[N@H+]4CCCC[C@@H]34)cc2c1 ZINC000504765602 257704148 /nfs/dbraw/zinc/70/41/48/257704148.db2.gz LGIFLRZBMIUGON-LIRRHRJNSA-N 1 1 341.455 3.171 50 0 EGAAMO CO[C@]12CC[N@@H+](Cc3cccc4c(C)c(C)[nH]c43)[C@H]1C[C@H](O)CC2 ZINC000299776005 258086475 /nfs/dbraw/zinc/08/64/75/258086475.db2.gz JVWLCLNKKNRWCT-IMFGXOCKSA-N 1 1 328.456 3.289 50 0 EGAAMO O=C(NCCc1nccs1)[C@H]1C[C@@H](c2ccccc2)[N@H+]2CCC[C@H]12 ZINC000299796737 258101108 /nfs/dbraw/zinc/10/11/08/258101108.db2.gz RWNKQHDKQSMHNR-BBWFWOEESA-N 1 1 341.480 3.027 50 0 EGAAMO CO[C@]12CC[N@@H+](Cc3csc(-c4ccccc4)n3)[C@H]1C[C@@H](O)CC2 ZINC000299755917 258074425 /nfs/dbraw/zinc/07/44/25/258074425.db2.gz FDOSWKXANIXUHA-JENIJYKNSA-N 1 1 344.480 3.314 50 0 EGAAMO Cc1ccc2oc(=O)cc(C[NH+]3CCN(c4ccccc4)CC3)c2c1 ZINC000054105976 135609302 /nfs/dbraw/zinc/60/93/02/135609302.db2.gz FGYFXMRAFAJLCV-UHFFFAOYSA-N 1 1 334.419 3.424 50 0 EGAAMO COc1cc(C[N@@H+]2CCc3cc(OC)c(OC)cc3C2)cc(OC)c1 ZINC000016513807 275122311 /nfs/dbraw/zinc/12/23/11/275122311.db2.gz JUOSMOCBUCSTPM-UHFFFAOYSA-N 1 1 343.423 3.279 50 0 EGAAMO COc1cc(C[N@H+]2CCc3cc(OC)c(OC)cc3C2)cc(OC)c1 ZINC000016513807 275122313 /nfs/dbraw/zinc/12/23/13/275122313.db2.gz JUOSMOCBUCSTPM-UHFFFAOYSA-N 1 1 343.423 3.279 50 0 EGAAMO C[C@H](C[N@@H+](C)Cc1ccc2cccc(Cl)c2n1)N1CCOCC1 ZINC000220150377 279280952 /nfs/dbraw/zinc/28/09/52/279280952.db2.gz MZMLOKUIPLQOPV-CQSZACIVSA-N 1 1 333.863 3.041 50 0 EGAAMO Cc1nc(CC[N@@H+]2CCC[C@@]3(C2)c2ccccc2N(C)C3=O)cs1 ZINC000244852733 455276957 /nfs/dbraw/zinc/27/69/57/455276957.db2.gz UXOVFSIMNBMKHJ-LJQANCHMSA-N 1 1 341.480 3.004 50 0 EGAAMO CC[C@@H]1CCCC[N@H+]1CC(=O)N1CCc2[nH]c3ccccc3c2C1 ZINC000000526708 452614741 /nfs/dbraw/zinc/61/47/41/452614741.db2.gz NMHLNOPFYTVZHA-OAHLLOKOSA-N 1 1 325.456 3.317 50 0 biogenic EGAAMO Cc1[nH+]ccn1C[C@H](O)Cn1c2ccc(C)cc2c2c1C(=O)CCC2 ZINC000000572134 452626667 /nfs/dbraw/zinc/62/66/67/452626667.db2.gz YAQZJCBPXRACNR-HNNXBMFYSA-N 1 1 337.423 3.035 50 0 EGAAMO COc1cc2c(cc1OC)[C@]13C[C@@H](OC)CC=C1CC[N@H+]3CCC2 ZINC000001649219 452672014 /nfs/dbraw/zinc/67/20/14/452672014.db2.gz VFNBFPRWBICVGZ-JXFKEZNVSA-N 1 1 329.440 3.286 50 0 biogenic,in-vitro EGAAMO COc1ccc(C[C@H]2c3cc(O)c(OC)cc3CC[N@@H+]2C)cc1OC ZINC000001715842 452674780 /nfs/dbraw/zinc/67/47/80/452674780.db2.gz OKORHWXYDBSYNO-INIZCTEOSA-N 1 1 343.423 3.190 50 0 endogenous,in-man EGAAMO CCOC(=O)c1ccc2c(c1)[C@H]1C[N@H+](C)CC[C@@H]1N2CC(F)(F)F ZINC000005091613 452836144 /nfs/dbraw/zinc/83/61/44/452836144.db2.gz WEHWZLFXMFRHBE-HIFRSBDPSA-N 1 1 342.361 3.033 50 0 EGAAMO CC[C@H]1CCCC[N@H+]1C[C@@H](O)COc1ccc2c(C)cc(=O)oc2c1 ZINC000011990924 453340297 /nfs/dbraw/zinc/34/02/97/453340297.db2.gz VWTJHCNAEQPSPB-JKSUJKDBSA-N 1 1 345.439 3.106 50 0 EGAAMO CC(C)(C)C[N@H+]1CCC[C@@H]1C(=O)Nc1cccc(-n2cccn2)c1 ZINC000012574408 453378277 /nfs/dbraw/zinc/37/82/77/453378277.db2.gz PRVADFHDWJPSED-QGZVFWFLSA-N 1 1 326.444 3.321 50 0 EGAAMO CC(C)c1ccc(CN2CCC[C@](O)(C[N@H+](C)C(C)C)C2=O)cc1 ZINC000012583005 453379364 /nfs/dbraw/zinc/37/93/64/453379364.db2.gz QWUGMJDSSLYCJL-FQEVSTJZSA-N 1 1 332.488 3.004 50 0 EGAAMO CC[C@H](C)[C@H]([NH3+])c1nnc(SCC(=O)Nc2ccc(C)cc2C)o1 ZINC000013511119 453467400 /nfs/dbraw/zinc/46/74/00/453467400.db2.gz HGYVJZXZELOPLP-NHYWBVRUSA-N 1 1 348.472 3.463 50 0 EGAAMO CC[N@H+]1CCC[C@@H]1Cn1cnc2c3cc(Cl)ccc3[nH]c2c1=O ZINC000020057309 453661985 /nfs/dbraw/zinc/66/19/85/453661985.db2.gz AGOBUXGQCMEWBE-GFCCVEGCSA-N 1 1 330.819 3.016 50 0 EGAAMO CCC[N@@H+]1CCc2c(sc3ncn4nc(-c5ccco5)nc4c23)C1 ZINC000020566367 453667721 /nfs/dbraw/zinc/66/77/21/453667721.db2.gz PYZYDWICSVQDGM-UHFFFAOYSA-N 1 1 339.424 3.367 50 0 EGAAMO CCC[N@H+]1CCc2c(sc3ncn4nc(-c5ccco5)nc4c23)C1 ZINC000020566367 453667733 /nfs/dbraw/zinc/66/77/33/453667733.db2.gz PYZYDWICSVQDGM-UHFFFAOYSA-N 1 1 339.424 3.367 50 0 EGAAMO CCOc1cc(C[NH+]2CCN(c3ccccc3OC)CC2)ccc1O ZINC000055543801 453993511 /nfs/dbraw/zinc/99/35/11/453993511.db2.gz UPNJECBTYPUNHY-UHFFFAOYSA-N 1 1 342.439 3.122 50 0 EGAAMO COc1cccc(C(=O)c2ccc(C[NH+]3CCSCC3)cc2)c1 ZINC000085651228 454035483 /nfs/dbraw/zinc/03/54/83/454035483.db2.gz GCSCEZYSQUZFBQ-UHFFFAOYSA-N 1 1 327.449 3.475 50 0 EGAAMO COCCC[C@@H]1CCC[N@@H+](Cc2cnc(-c3ccccn3)nc2)C1 ZINC000077301485 454087957 /nfs/dbraw/zinc/08/79/57/454087957.db2.gz QHSPRAFNDJSSQY-INIZCTEOSA-N 1 1 326.444 3.177 50 0 EGAAMO Cc1ccc(F)c(C[N@H+]2CCCC[C@@H]2CCN2CCOCC2)c1F ZINC000077323304 454091474 /nfs/dbraw/zinc/09/14/74/454091474.db2.gz IKUSHJVKTBIVHI-MRXNPFEDSA-N 1 1 338.442 3.350 50 0 EGAAMO CCc1nc(C[N@@H+]2CCC[C@@]3(CCC(=O)N(C(C)C)C3)C2)cs1 ZINC000077407912 454102462 /nfs/dbraw/zinc/10/24/62/454102462.db2.gz KZFVVIKWGFSSTQ-GOSISDBHSA-N 1 1 335.517 3.319 50 0 EGAAMO CCc1nc(C[N@H+]2CCC[C@@]3(CCC(=O)N(C(C)C)C3)C2)cs1 ZINC000077407912 454102463 /nfs/dbraw/zinc/10/24/63/454102463.db2.gz KZFVVIKWGFSSTQ-GOSISDBHSA-N 1 1 335.517 3.319 50 0 EGAAMO Cc1[nH]c2c(cccc2C[N@H+]2CCN(CC(C)C)C(=O)[C@@H]2C)c1C ZINC000077408287 454102482 /nfs/dbraw/zinc/10/24/82/454102482.db2.gz JBHKFMTXLWQWRU-INIZCTEOSA-N 1 1 327.472 3.473 50 0 EGAAMO Cc1[nH]c2c(cccc2C[N@@H+]2CCN(CC(C)C)C(=O)[C@@H]2C)c1C ZINC000077408287 454102484 /nfs/dbraw/zinc/10/24/84/454102484.db2.gz JBHKFMTXLWQWRU-INIZCTEOSA-N 1 1 327.472 3.473 50 0 EGAAMO COc1ccc(C[N@H+]2CCC[C@@]3(CCC(=O)N(C4CC4)C3)C2)c(F)c1 ZINC000077407511 454102591 /nfs/dbraw/zinc/10/25/91/454102591.db2.gz SFIJDUHTASVDJA-HXUWFJFHSA-N 1 1 346.446 3.201 50 0 EGAAMO CCCc1ccc(C[N@H+]2CCC[C@]3(CCC(=O)N(CCOC)C3)C2)o1 ZINC000077503977 454114831 /nfs/dbraw/zinc/11/48/31/454114831.db2.gz GTYSRZFDKYIDLQ-FQEVSTJZSA-N 1 1 348.487 3.083 50 0 EGAAMO Cc1ccc(CCC(=O)N2CCCC[C@@H]2CC[NH+]2CCOCC2)cc1 ZINC000077538018 454119746 /nfs/dbraw/zinc/11/97/46/454119746.db2.gz MNJKQHUFMZORJD-HXUWFJFHSA-N 1 1 344.499 3.031 50 0 EGAAMO COc1ccc(-c2cnc(C[NH+]3CCC(c4cc[nH]n4)CC3)o2)cc1 ZINC000058227082 454173608 /nfs/dbraw/zinc/17/36/08/454173608.db2.gz KHALGXBKMKSJNI-UHFFFAOYSA-N 1 1 338.411 3.453 50 0 EGAAMO COCC[N@H+](C)Cc1nc(-c2ccc(OC)c(C)c2OC)oc1C ZINC000071661454 454210404 /nfs/dbraw/zinc/21/04/04/454210404.db2.gz OSFNMPWJKNZRRR-UHFFFAOYSA-N 1 1 334.416 3.054 50 0 EGAAMO COCC[N@@H+](C)Cc1nc(-c2ccc(OC)c(C)c2OC)oc1C ZINC000071661454 454210410 /nfs/dbraw/zinc/21/04/10/454210410.db2.gz OSFNMPWJKNZRRR-UHFFFAOYSA-N 1 1 334.416 3.054 50 0 EGAAMO CC[N@H+]1CCC[C@@H](CN(C)c2nccc(-c3ccc(C)nc3C)n2)C1 ZINC000071748805 454213172 /nfs/dbraw/zinc/21/31/72/454213172.db2.gz AJJBQAGTOBRIJQ-KRWDZBQOSA-N 1 1 339.487 3.324 50 0 EGAAMO CC1=CC[C@@H]2C[N@@H+](Cc3cccc(CN4CCOCC4)c3)C[C@@H]2C1 ZINC000071764524 454216761 /nfs/dbraw/zinc/21/67/61/454216761.db2.gz HRUQUFPIHRGJLT-RTWAWAEBSA-N 1 1 326.484 3.307 50 0 EGAAMO CCn1cc(CN2CCC3(C[C@@H](c4ccccc4)C[N@H+]3C)CC2)cn1 ZINC000095508586 454223398 /nfs/dbraw/zinc/22/33/98/454223398.db2.gz QRCADZOPQORHHH-HXUWFJFHSA-N 1 1 338.499 3.357 50 0 EGAAMO CCc1ccc(C[N@H+]2CCC[C@]3(C2)c2ccccc2N(C)C3=O)nc1 ZINC000072166475 454273356 /nfs/dbraw/zinc/27/33/56/454273356.db2.gz VQZMCRTYDDMJMC-NRFANRHFSA-N 1 1 335.451 3.154 50 0 EGAAMO O=C(Nc1cc(F)cc(F)c1)N1CCC[N@H+](Cc2ccccn2)CC1 ZINC000096141165 454293425 /nfs/dbraw/zinc/29/34/25/454293425.db2.gz VAUBJUVKJQVTMB-UHFFFAOYSA-N 1 1 346.381 3.100 50 0 EGAAMO O=C(Nc1cc(F)cc(F)c1)N1CCC[N@@H+](Cc2ccccn2)CC1 ZINC000096141165 454293427 /nfs/dbraw/zinc/29/34/27/454293427.db2.gz VAUBJUVKJQVTMB-UHFFFAOYSA-N 1 1 346.381 3.100 50 0 EGAAMO O=C(Nc1ccccc1C1CC1)NC1(C[NH+]2CCOCC2)CCCC1 ZINC000096161843 454295520 /nfs/dbraw/zinc/29/55/20/454295520.db2.gz KFUVXIBUTHYDAT-UHFFFAOYSA-N 1 1 343.471 3.331 50 0 EGAAMO CC(C)N1CCC([NH+]2CCC(n3cc(C(C)(C)C)nn3)CC2)CC1 ZINC000048319732 454472583 /nfs/dbraw/zinc/47/25/83/454472583.db2.gz GOCDXENAQOCYNQ-UHFFFAOYSA-N 1 1 333.524 3.085 50 0 EGAAMO CC(C)[NH+]1CCC(N2CCC(n3cc(C(C)(C)C)nn3)CC2)CC1 ZINC000048319732 454472588 /nfs/dbraw/zinc/47/25/88/454472588.db2.gz GOCDXENAQOCYNQ-UHFFFAOYSA-N 1 1 333.524 3.085 50 0 EGAAMO O=C(CC[N@@H+]1CCC[C@H](Oc2ccc(F)cc2)C1)Nc1nccs1 ZINC000065370520 454555086 /nfs/dbraw/zinc/55/50/86/454555086.db2.gz UVNNOSOSJVICCR-HNNXBMFYSA-N 1 1 349.431 3.154 50 0 EGAAMO CCC(=O)NCc1ccccc1-c1ccccc1C[NH+]1CCOCC1 ZINC000065395011 454558623 /nfs/dbraw/zinc/55/86/23/454558623.db2.gz PEVNTKRSUCZLSD-UHFFFAOYSA-N 1 1 338.451 3.212 50 0 EGAAMO CCc1ccccc1NC(=O)CC[N@H+]1CCC[C@H](Cn2ccnc2)C1 ZINC000065407896 454561394 /nfs/dbraw/zinc/56/13/94/454561394.db2.gz GTDJYCBIRBSFMA-KRWDZBQOSA-N 1 1 340.471 3.186 50 0 EGAAMO COc1cc(Cl)ccc1C(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000172417902 455152532 /nfs/dbraw/zinc/15/25/32/455152532.db2.gz VTODSBRFMWALNH-UHFFFAOYSA-N 1 1 336.863 3.439 50 0 EGAAMO Cc1ccc(C)n1CCC(=O)N(C)C[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000253401149 455840483 /nfs/dbraw/zinc/84/04/83/455840483.db2.gz FKDVEKBMNJUKQW-RBUKOAKNSA-N 1 1 331.504 3.218 50 0 biogenic EGAAMO Cc1[nH+]ccn1-c1ccc(CNC(=O)CCOc2ccccc2)cc1 ZINC000219818571 456036738 /nfs/dbraw/zinc/03/67/38/456036738.db2.gz JFMWMSDYCFZOAC-UHFFFAOYSA-N 1 1 335.407 3.266 50 0 EGAAMO CC(C)[N@H+]1CC[C@@H](CN(C)C(=O)Cc2ccc(F)cc2Cl)C1 ZINC000221359185 456043136 /nfs/dbraw/zinc/04/31/36/456043136.db2.gz LYQXYBLTBNXYSS-ZDUSSCGKSA-N 1 1 326.843 3.210 50 0 EGAAMO O=C(NCc1cccc2[nH]ccc21)N1CCC[N@H+](C2CCCC2)CC1 ZINC000426510177 457845479 /nfs/dbraw/zinc/84/54/79/457845479.db2.gz SBMVCKLXRQMIPK-UHFFFAOYSA-N 1 1 340.471 3.328 50 0 EGAAMO C[C@H]1CCCC[N@H+]1C1CN(C(=O)NCCSCc2ccccc2)C1 ZINC000534629727 459339339 /nfs/dbraw/zinc/33/93/39/459339339.db2.gz IHXMRJAEHVZXGJ-INIZCTEOSA-N 1 1 347.528 3.188 50 0 EGAAMO CC[N@@H+](Cc1ccccc1)C1CCN(C(=O)Cc2cc(C)no2)CC1 ZINC000584894142 459819794 /nfs/dbraw/zinc/81/97/94/459819794.db2.gz BJSYUZPTSHZXCI-UHFFFAOYSA-N 1 1 341.455 3.039 50 0 EGAAMO CCc1cccc(C)c1NC(=O)CC[NH+]1CCC(c2ccn[nH]2)CC1 ZINC000244646922 535860778 /nfs/dbraw/zinc/86/07/78/535860778.db2.gz GRTLYJBDSHWEPF-UHFFFAOYSA-N 1 1 340.471 3.489 50 0 EGAAMO COc1cc(C[N@@H+]2CCC[C@@H](NC(C)=O)C2)ccc1OCC=C(C)C ZINC000216450413 536751881 /nfs/dbraw/zinc/75/18/81/536751881.db2.gz WFZNWDPBGNOMQT-GOSISDBHSA-N 1 1 346.471 3.141 50 0 EGAAMO COc1cc(C[N@H+]2CCC[C@@H](NC(C)=O)C2)ccc1OCC=C(C)C ZINC000216450413 536751889 /nfs/dbraw/zinc/75/18/89/536751889.db2.gz WFZNWDPBGNOMQT-GOSISDBHSA-N 1 1 346.471 3.141 50 0 EGAAMO Cc1ccccc1[C@@H]1CC[N@@H+](CCNC(=O)Cc2cccs2)C1 ZINC000670440581 548215498 /nfs/dbraw/zinc/21/54/98/548215498.db2.gz MLOVPJUARNPZOX-MRXNPFEDSA-N 1 1 328.481 3.205 50 0 EGAAMO COc1coc(C[N@@H+]2CCC[C@@H](COc3ccccc3F)C2)cc1=O ZINC000670461647 548220227 /nfs/dbraw/zinc/22/02/27/548220227.db2.gz RMBPXHVGAPXSOW-CQSZACIVSA-N 1 1 347.386 3.079 50 0 EGAAMO COc1coc(C[N@H+]2CCC[C@@H](COc3ccccc3F)C2)cc1=O ZINC000670461647 548220232 /nfs/dbraw/zinc/22/02/32/548220232.db2.gz RMBPXHVGAPXSOW-CQSZACIVSA-N 1 1 347.386 3.079 50 0 EGAAMO Cc1nc(CC(=O)N[C@H]2CCC[N@H+](C3CCCCCC3)C2)cs1 ZINC000012299049 1291131635 /nfs/dbraw/zinc/13/16/35/1291131635.db2.gz FJOINVCNQAWCAJ-HNNXBMFYSA-N 1 1 335.517 3.297 50 0 EGAAMO Cc1cc(C[N@H+](C)[C@H]2CCC(=O)N(Cc3cccc(F)c3)CC2)on1 ZINC000012331912 1291132235 /nfs/dbraw/zinc/13/22/35/1291132235.db2.gz XHJJPIKGDIBDFH-KRWDZBQOSA-N 1 1 345.418 3.135 50 0 EGAAMO CCCn1ncc(C[N@H+]2CCC[C@@](CO)(Cc3ccccc3)C2)c1C ZINC000012580977 1291132987 /nfs/dbraw/zinc/13/29/87/1291132987.db2.gz SEVHBCGGBMMJLE-OAQYLSRUSA-N 1 1 341.499 3.419 50 0 EGAAMO COc1ccc(C[N@@H+]2CCc3nnc(-c4ccccc4)n3CC2)cc1C ZINC000020999427 1291195949 /nfs/dbraw/zinc/19/59/49/1291195949.db2.gz DQLZNELDWQQDKN-UHFFFAOYSA-N 1 1 348.450 3.320 50 0 EGAAMO CCCc1ccc(OC[C@H](O)CNC2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000022341427 1291213078 /nfs/dbraw/zinc/21/30/78/1291213078.db2.gz FFBIERFAMYOJQM-GOSISDBHSA-N 1 1 348.531 3.278 50 0 EGAAMO Cc1[nH+]ccn1CC(=O)N[C@H](c1cccnc1)c1ccc(C)c(C)c1 ZINC000827861475 1292390434 /nfs/dbraw/zinc/39/04/34/1292390434.db2.gz JYSFWTWADJVGEF-FQEVSTJZSA-N 1 1 334.423 3.109 50 0 EGAAMO C[C@@H](Oc1ccccc1F)C(=O)N[C@@H]1CC[N@@H+](Cc2ccsc2)C1 ZINC000618256573 1298098665 /nfs/dbraw/zinc/09/86/65/1298098665.db2.gz KAEBKFIOXHOQHY-UKRRQHHQSA-N 1 1 348.443 3.045 50 0 EGAAMO CCC(=O)Nc1cc(NC(=O)[C@@]2(C)CCC[N@H+](CC)C2)ccc1C ZINC000823109879 1320155441 /nfs/dbraw/zinc/15/54/41/1320155441.db2.gz KJEQBFPGMJMWNU-IBGZPJMESA-N 1 1 331.460 3.404 50 0 EGAAMO CCOC[C@H]1CCC[N@H+]1Cc1ccc2cc(NC(C)=O)ccc2n1 ZINC000823318443 1320170168 /nfs/dbraw/zinc/17/01/68/1320170168.db2.gz CDSSCSMDKAIDPO-GOSISDBHSA-N 1 1 327.428 3.194 50 0 EGAAMO Cc1ccc2c(cc(C[NH+]3CCN(c4nc(C)cnc4C)CC3)n2C)c1 ZINC000825243027 1320320746 /nfs/dbraw/zinc/32/07/46/1320320746.db2.gz RWRBTNZBYLSBLI-UHFFFAOYSA-N 1 1 349.482 3.216 50 0 EGAAMO Clc1cnc(C[C@@H]2CC[C@H](C[N@@H+]3C[C@@H]4CC=CC[C@@H]4C3)O2)nc1 ZINC000952854561 1334581666 /nfs/dbraw/zinc/58/16/66/1334581666.db2.gz JHPADVRGZAHZHT-HDEZJCGLSA-N 1 1 333.863 3.118 50 0 EGAAMO C[N@@H+]1CCCCC[C@H]1C(=O)N(Cc1ccccc1)CC(F)(F)F ZINC000952869924 1334583958 /nfs/dbraw/zinc/58/39/58/1334583958.db2.gz PMIVVWIAGGUTTB-HNNXBMFYSA-N 1 1 328.378 3.452 50 0 EGAAMO C[N@H+]1CCCCC[C@H]1C(=O)N(Cc1ccccc1)CC(F)(F)F ZINC000952869924 1334583960 /nfs/dbraw/zinc/58/39/60/1334583960.db2.gz PMIVVWIAGGUTTB-HNNXBMFYSA-N 1 1 328.378 3.452 50 0 EGAAMO CC(=O)c1cc(C[N@H+]2CCC[C@H](c3nc(CC(C)C)no3)C2)n(C)c1 ZINC000952982140 1334629996 /nfs/dbraw/zinc/62/99/96/1334629996.db2.gz ZNULYLQOXQVBEX-HNNXBMFYSA-N 1 1 344.459 3.189 50 0 EGAAMO CC(=O)c1cc(C[N@@H+]2CCC[C@H](c3nc(CC(C)C)no3)C2)n(C)c1 ZINC000952982140 1334630000 /nfs/dbraw/zinc/63/00/00/1334630000.db2.gz ZNULYLQOXQVBEX-HNNXBMFYSA-N 1 1 344.459 3.189 50 0 EGAAMO Cc1nnc(SCC[NH2+]Cc2nc3ccccc3n2CC(C)C)[nH]1 ZINC000952981835 1334630054 /nfs/dbraw/zinc/63/00/54/1334630054.db2.gz WRFMJEBGGZDQHY-UHFFFAOYSA-N 1 1 344.488 3.001 50 0 EGAAMO CCc1nn(C)c(Cl)c1CN[C@H](C)C[N@@H+]1CCc2ccccc2C1 ZINC000952985462 1334630806 /nfs/dbraw/zinc/63/08/06/1334630806.db2.gz VXEOVXKSKOZXPK-CQSZACIVSA-N 1 1 346.906 3.172 50 0 EGAAMO CCc1nn(C)c(Cl)c1CN[C@H](C)C[N@H+]1CCc2ccccc2C1 ZINC000952985462 1334630809 /nfs/dbraw/zinc/63/08/09/1334630809.db2.gz VXEOVXKSKOZXPK-CQSZACIVSA-N 1 1 346.906 3.172 50 0 EGAAMO CN(C)c1ncc2c(n1)[C@@]1(CC2)CCC[N@@H+](Cc2ccsc2)C1 ZINC001704312399 1416439037 /nfs/dbraw/zinc/43/90/37/1416439037.db2.gz QVZZSMCMKNVYOE-GOSISDBHSA-N 1 1 328.485 3.084 50 0 EGAAMO CCCCc1nc(C[N@@H+]2CCC[C@@]3(CCc4cnc(C)nc43)C2)c[nH]1 ZINC001704337179 1416448105 /nfs/dbraw/zinc/44/81/05/1416448105.db2.gz OAIZMQFHOGIBKM-HXUWFJFHSA-N 1 1 339.487 3.331 50 0 EGAAMO CCCCc1nc(C[N@H+]2CCC[C@@]3(CCc4cnc(C)nc43)C2)c[nH]1 ZINC001704337179 1416448107 /nfs/dbraw/zinc/44/81/07/1416448107.db2.gz OAIZMQFHOGIBKM-HXUWFJFHSA-N 1 1 339.487 3.331 50 0 EGAAMO Cc1cc(NCCC[N@H+]2CCC[C@@H](CO)C2)c2cc(F)cc(F)c2n1 ZINC001704349125 1416452177 /nfs/dbraw/zinc/45/21/77/1416452177.db2.gz KABCZRKTPGAZRD-CQSZACIVSA-N 1 1 349.425 3.328 50 0 EGAAMO CCSC[C@@H](C)[N@H+]1CCCN(C(=O)c2cccc(F)c2F)CC1 ZINC001772811245 1441417554 /nfs/dbraw/zinc/41/75/54/1441417554.db2.gz UVDWIFMVOOUCER-CYBMUJFWSA-N 1 1 342.455 3.254 50 0 EGAAMO Cc1ccc(C[N@H+](CCCO)Cc2cnc(NC(C)C)nc2)s1 ZINC000055282356 214301710 /nfs/dbraw/zinc/30/17/10/214301710.db2.gz UWSVNTUKSJQVKW-UHFFFAOYSA-N 1 1 334.489 3.051 50 0 EGAAMO C[C@@H]1C[C@H](C)C[N@H+](C[C@H](O)COc2ccc(Br)cc2)C1 ZINC000004279503 210159289 /nfs/dbraw/zinc/15/92/89/210159289.db2.gz CPFQUQPPMDHFQO-GUTXKFCHSA-N 1 1 342.277 3.167 50 0 EGAAMO O=C(C[C@@H]1CCc2ccccc21)NCCC1=CSC2=[NH+]CCCN12 ZINC000102757981 219228607 /nfs/dbraw/zinc/22/86/07/219228607.db2.gz IRULRVRRCIGICD-HNNXBMFYSA-N 1 1 341.480 3.263 50 0 EGAAMO Cc1cnccc1C(=O)NC[C@H]1CC[N@@H+](Cc2cc3ccccc3[nH]2)C1 ZINC000067446664 215147382 /nfs/dbraw/zinc/14/73/82/215147382.db2.gz LORFYUSEWRAOPO-MRXNPFEDSA-N 1 1 348.450 3.123 50 0 EGAAMO Cc1cc(C[N@H+]2CCC[C@@H](CNC(=O)C3CCCCCC3)C2)[nH]n1 ZINC000067490052 215153739 /nfs/dbraw/zinc/15/37/39/215153739.db2.gz HVFDPLQNTHVPKZ-INIZCTEOSA-N 1 1 332.492 3.017 50 0 EGAAMO O=C(NC[C@@H]1CC[N@@H+](Cc2ccoc2)C1)c1cc2sccc2[nH]1 ZINC000067643482 215172556 /nfs/dbraw/zinc/17/25/56/215172556.db2.gz GBRGACMWWVRVJL-LBPRGKRZSA-N 1 1 329.425 3.074 50 0 EGAAMO CCn1cc(C[N@H+](C)Cc2cccc(C(=O)Nc3ccncc3)c2)cn1 ZINC000067712783 215191559 /nfs/dbraw/zinc/19/15/59/215191559.db2.gz JIBMAUPZHPWJOT-UHFFFAOYSA-N 1 1 349.438 3.182 50 0 EGAAMO CCn1cc(C[N@@H+](C)Cc2cccc(C(=O)Nc3ccncc3)c2)cn1 ZINC000067712783 215191562 /nfs/dbraw/zinc/19/15/62/215191562.db2.gz JIBMAUPZHPWJOT-UHFFFAOYSA-N 1 1 349.438 3.182 50 0 EGAAMO CC(=O)NC1CC[NH+](Cc2nc(-c3ccccc3C)oc2C)CC1 ZINC000067804663 215216582 /nfs/dbraw/zinc/21/65/82/215216582.db2.gz QIYUDVDFFCXNSK-UHFFFAOYSA-N 1 1 327.428 3.059 50 0 EGAAMO CNc1cc[nH+]c(NCc2cccnc2N(C)Cc2ccccc2)n1 ZINC000067868290 215235368 /nfs/dbraw/zinc/23/53/68/215235368.db2.gz SRHRSJXPGUPDFR-UHFFFAOYSA-N 1 1 334.427 3.162 50 0 EGAAMO CCCc1nc(NCc2cc3ccc(F)cc3[nH]c2=O)cc(C)[nH+]1 ZINC000067894680 215243385 /nfs/dbraw/zinc/24/33/85/215243385.db2.gz VSYRTNVSUQLUMF-UHFFFAOYSA-N 1 1 326.375 3.330 50 0 EGAAMO Cc1nc(-c2ccccc2)c(C(=O)NC[C@H]2CCC[N@H+](C)C2)s1 ZINC000067921698 215251168 /nfs/dbraw/zinc/25/11/68/215251168.db2.gz GSTGMWDGCZFXKY-CQSZACIVSA-N 1 1 329.469 3.190 50 0 EGAAMO COC(=O)CC[N@@H+]1CCOc2c(O)cc(-c3ccccc3C)cc2C1 ZINC000067955819 215259540 /nfs/dbraw/zinc/25/95/40/215259540.db2.gz RVKIBHDEBHNPBN-UHFFFAOYSA-N 1 1 341.407 3.125 50 0 EGAAMO COC(=O)CC[N@H+]1CCOc2c(O)cc(-c3ccccc3C)cc2C1 ZINC000067955819 215259544 /nfs/dbraw/zinc/25/95/44/215259544.db2.gz RVKIBHDEBHNPBN-UHFFFAOYSA-N 1 1 341.407 3.125 50 0 EGAAMO COc1cc(C)c(CN2CC[N@@H+](CC(C)(C)C)[C@H](CCO)C2)cc1C ZINC000039442594 213236820 /nfs/dbraw/zinc/23/68/20/213236820.db2.gz ZLWAVTPYVYWVDE-LJQANCHMSA-N 1 1 348.531 3.227 50 0 EGAAMO O=C(CC[N@H+]1CCC[C@H]1c1ccccn1)N1CCc2ccccc2C1 ZINC000072137425 216024982 /nfs/dbraw/zinc/02/49/82/216024982.db2.gz YWGQDASFOJOXLU-FQEVSTJZSA-N 1 1 335.451 3.194 50 0 EGAAMO C[N@H+](Cc1cc(-c2ccncc2)no1)Cc1ccc2nsnc2c1 ZINC000072152701 216040875 /nfs/dbraw/zinc/04/08/75/216040875.db2.gz YZJAGROBCMLBRP-UHFFFAOYSA-N 1 1 337.408 3.373 50 0 EGAAMO C[N@@H+](Cc1cc(-c2ccncc2)no1)Cc1ccc2nsnc2c1 ZINC000072152701 216040879 /nfs/dbraw/zinc/04/08/79/216040879.db2.gz YZJAGROBCMLBRP-UHFFFAOYSA-N 1 1 337.408 3.373 50 0 EGAAMO c1ccc(SCC[N@H+]2CCCC[C@H]2CCN2CCOCC2)cc1 ZINC000072153918 216042794 /nfs/dbraw/zinc/04/27/94/216042794.db2.gz ISGZOAKKCKVGHK-SFHVURJKSA-N 1 1 334.529 3.356 50 0 EGAAMO c1cc([C@H]2C[N@H+](CC3CCC3)[C@H]3[C@@H]2N2CCC3CC2)cc2c1OCO2 ZINC000072167156 216056765 /nfs/dbraw/zinc/05/67/65/216056765.db2.gz WTCGQEOCRHASDE-DUXKGJEZSA-N 1 1 340.467 3.077 50 0 EGAAMO Cc1ccc([C@@H](C)CC[NH+]2CCC(C(=O)[O-])(n3cc[nH+]c3C)CC2)o1 ZINC000072422340 216212112 /nfs/dbraw/zinc/21/21/12/216212112.db2.gz KIXGFPKBBZZYCC-AWEZNQCLSA-N 1 1 345.443 3.162 50 0 EGAAMO CN1C[C@]2(CCC[N@@H+](Cc3ccc(-c4ccccn4)cc3)C2)OC1=O ZINC000072430002 216222264 /nfs/dbraw/zinc/22/22/64/216222264.db2.gz ATWSVBVQQZJCMH-FQEVSTJZSA-N 1 1 337.423 3.165 50 0 EGAAMO Cc1cc2nc(C(C)C)cc(N(C)C[C@H]3CC[N@H+](C(C)C)C3)n2n1 ZINC000072436470 216230947 /nfs/dbraw/zinc/23/09/47/216230947.db2.gz KBDJQCXRWQSXFZ-MRXNPFEDSA-N 1 1 329.492 3.328 50 0 EGAAMO CC[N@H+](Cc1c[nH]nc1-c1ccc(OC)cc1F)C[C@@H]1CCCO1 ZINC000072463682 216246694 /nfs/dbraw/zinc/24/66/94/216246694.db2.gz HRCHPQVHIOJGNS-HNNXBMFYSA-N 1 1 333.407 3.225 50 0 EGAAMO CCCc1cc(C(=O)N2CC[NH+](Cc3cccc(C)c3)CC2)ccn1 ZINC000072470036 216248499 /nfs/dbraw/zinc/24/84/99/216248499.db2.gz ODQCHXHOAYJNTA-UHFFFAOYSA-N 1 1 337.467 3.301 50 0 EGAAMO COc1ccccc1[C@H](CNC(=O)c1ccc(Cl)cc1)[NH+](C)C ZINC000023694005 212390627 /nfs/dbraw/zinc/39/06/27/212390627.db2.gz XSQMXTJGZMCSRC-INIZCTEOSA-N 1 1 332.831 3.381 50 0 biogenic EGAAMO Cc1ccccc1C[N@H+]1CCN(Cc2ccc(F)cc2)[C@@H](CCO)C1 ZINC000022919923 212333815 /nfs/dbraw/zinc/33/38/15/212333815.db2.gz RVRWMNUJKOHVTJ-NRFANRHFSA-N 1 1 342.458 3.203 50 0 EGAAMO CCSc1ncc(CN(C)C[C@@H]2Cc3ccccc3C[N@H+]2C)cn1 ZINC000216070873 241162273 /nfs/dbraw/zinc/16/22/73/241162273.db2.gz DYLRPTHZVIDULR-SFHVURJKSA-N 1 1 342.512 3.077 50 0 EGAAMO C[N@H+](Cc1cnc(N2CCCC2)s1)Cc1ccc2nsnc2c1 ZINC000216111152 241164871 /nfs/dbraw/zinc/16/48/71/241164871.db2.gz URUOUDASWBXRBS-UHFFFAOYSA-N 1 1 345.497 3.380 50 0 EGAAMO C[N@@H+](Cc1cnc(N2CCCC2)s1)Cc1ccc2nsnc2c1 ZINC000216111152 241164879 /nfs/dbraw/zinc/16/48/79/241164879.db2.gz URUOUDASWBXRBS-UHFFFAOYSA-N 1 1 345.497 3.380 50 0 EGAAMO Cn1ccnc1CCC[N@@H+](C)Cc1cnc(-c2cccs2)nc1 ZINC000216313596 241182848 /nfs/dbraw/zinc/18/28/48/241182848.db2.gz HDAGGQMJMWLBBX-UHFFFAOYSA-N 1 1 327.457 3.003 50 0 EGAAMO Cc1cc(C(=O)NCC[N@H+]2CCC[C@H](c3ccccc3)C2)cc(C)n1 ZINC000215504475 241127806 /nfs/dbraw/zinc/12/78/06/241127806.db2.gz IMKMVKHSZVWYIL-IBGZPJMESA-N 1 1 337.467 3.308 50 0 EGAAMO Clc1cnn(CC[N@H+]2CCC[C@H](Cc3nc4ccccc4[nH]3)C2)c1 ZINC000244708350 243064768 /nfs/dbraw/zinc/06/47/68/243064768.db2.gz KSBCPIVOILVSEA-CQSZACIVSA-N 1 1 343.862 3.368 50 0 EGAAMO Cc1cc(C)n([C@@H]2CC[N@@H+](Cc3cncn3Cc3ccccc3)C2)n1 ZINC000244601923 243044851 /nfs/dbraw/zinc/04/48/51/243044851.db2.gz DULJOGBRDRYIBG-LJQANCHMSA-N 1 1 335.455 3.192 50 0 EGAAMO O=C(CC[N@@H+]1CCC[C@H]1c1nc2cc(Cl)ccc2[nH]1)NC1CC1 ZINC000244873371 243090958 /nfs/dbraw/zinc/09/09/58/243090958.db2.gz WPBALERVGXWKOD-HNNXBMFYSA-N 1 1 332.835 3.022 50 0 EGAAMO O=C(CCC(F)(F)F)NCC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000244882885 243098156 /nfs/dbraw/zinc/09/81/56/243098156.db2.gz YBANBQKKZOUSBT-OAHLLOKOSA-N 1 1 328.378 3.357 50 0 EGAAMO O[C@H](c1ccc(Cl)cc1)[C@@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000020813075 212174142 /nfs/dbraw/zinc/17/41/42/212174142.db2.gz FUDJAHCMDYNXAS-RBUKOAKNSA-N 1 1 331.843 3.489 50 0 EGAAMO CC[N@H+]1CCC[C@@H]1CNc1ncnc2c1cnn2-c1ccc(C)cc1 ZINC000020662014 212159511 /nfs/dbraw/zinc/15/95/11/212159511.db2.gz OLQXGCQNVBDFEM-MRXNPFEDSA-N 1 1 336.443 3.020 50 0 EGAAMO OC[C@@H]1CCC[N@H+](C2CCN(Cc3sccc3Cl)CC2)C1 ZINC000020536201 212144928 /nfs/dbraw/zinc/14/49/28/212144928.db2.gz FUELHSOFICPLBV-CYBMUJFWSA-N 1 1 328.909 3.070 50 0 EGAAMO OCC[C@H]1CN(Cc2cc3ccccc3o2)CC[N@H+]1C1CCCC1 ZINC000020513671 212142800 /nfs/dbraw/zinc/14/28/00/212142800.db2.gz PVDKECYTVXMNLB-SFHVURJKSA-N 1 1 328.456 3.244 50 0 EGAAMO CCOc1ccc(NC(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000020176832 212109445 /nfs/dbraw/zinc/10/94/45/212109445.db2.gz UEITVADDLBDKCU-UHFFFAOYSA-N 1 1 339.439 3.435 50 0 EGAAMO CN1CCN(C2CC[NH+](C3CCC(c4ccccc4)CC3)CC2)CC1 ZINC000019889867 212079809 /nfs/dbraw/zinc/07/98/09/212079809.db2.gz ZRGYJQVYFWJQQW-UHFFFAOYSA-N 1 1 341.543 3.425 50 0 EGAAMO O=C(Cc1c(F)cccc1Cl)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019899286 212080778 /nfs/dbraw/zinc/08/07/78/212080778.db2.gz BLQFUZMDJKINON-UHFFFAOYSA-N 1 1 346.833 3.366 50 0 EGAAMO CCOc1cc(CNCC[NH+](C)C)ccc1OCc1ccccc1 ZINC000019872114 212077621 /nfs/dbraw/zinc/07/76/21/212077621.db2.gz ORSRHADGKYFREA-UHFFFAOYSA-N 1 1 328.456 3.316 50 0 EGAAMO O=C(c1cccnc1)N1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000019773531 212064805 /nfs/dbraw/zinc/06/48/05/212064805.db2.gz SGCRHDYUFLLMRZ-UHFFFAOYSA-N 1 1 331.419 3.193 50 0 EGAAMO Cn1ccc2cc(C(=O)NC[C@@H]3CCC[N@H+]4CCCC[C@H]34)ccc21 ZINC000079190399 217200900 /nfs/dbraw/zinc/20/09/00/217200900.db2.gz ZSIYPRXNUQGSGS-PKOBYXMFSA-N 1 1 325.456 3.173 50 0 biogenic EGAAMO COc1ccc(C(=O)[C@H]2CCC[N@H+](Cc3cccnc3)C2)c(OC)c1 ZINC000012434517 211380375 /nfs/dbraw/zinc/38/03/75/211380375.db2.gz LTMZJLUHQVDQPQ-INIZCTEOSA-N 1 1 340.423 3.194 50 0 EGAAMO COc1ccc(C(=O)[C@H]2CCC[N@@H+](Cc3cccnc3)C2)c(OC)c1 ZINC000012434517 211380382 /nfs/dbraw/zinc/38/03/82/211380382.db2.gz LTMZJLUHQVDQPQ-INIZCTEOSA-N 1 1 340.423 3.194 50 0 EGAAMO c1c[nH]c(CN2CC[C@H](C3CC[NH+](CCc4ccccc4)CC3)C2)n1 ZINC000012316691 211343636 /nfs/dbraw/zinc/34/36/36/211343636.db2.gz PVUIYDYLOROCKG-FQEVSTJZSA-N 1 1 338.499 3.186 50 0 EGAAMO C[C@@H]1C[N@@H+](Cc2cc(F)ccc2Cl)CC[C@@]1(O)C1CCOCC1 ZINC000091563485 218022205 /nfs/dbraw/zinc/02/22/05/218022205.db2.gz RSBOSXUZYKHQDD-ACJLOTCBSA-N 1 1 341.854 3.479 50 0 EGAAMO CCn1ccnc1CN(CCc1ccccc1)C[C@H]1CCC[N@@H+](C)C1 ZINC000011819136 211252663 /nfs/dbraw/zinc/25/26/63/211252663.db2.gz ZFGYZZZMSGJZJE-FQEVSTJZSA-N 1 1 340.515 3.290 50 0 EGAAMO C[N@H+]1CCCCC[C@@H]1C(=O)NCc1ccccc1OC(F)(F)F ZINC000091616783 218031451 /nfs/dbraw/zinc/03/14/51/218031451.db2.gz QHYINATZQVJKBT-CYBMUJFWSA-N 1 1 330.350 3.076 50 0 EGAAMO Cc1cc([C@@H]2CCC[N@@H+]2Cc2cc(=O)c3cc(F)ccc3[nH]2)on1 ZINC000091679364 218047035 /nfs/dbraw/zinc/04/70/35/218047035.db2.gz JEHAVMBJGKMLFP-INIZCTEOSA-N 1 1 327.359 3.301 50 0 EGAAMO Cc1cc([C@@H]2CCC[N@H+]2Cc2cc(=O)c3cc(F)ccc3[nH]2)on1 ZINC000091679364 218047036 /nfs/dbraw/zinc/04/70/36/218047036.db2.gz JEHAVMBJGKMLFP-INIZCTEOSA-N 1 1 327.359 3.301 50 0 EGAAMO O=C(N[C@H]1CCC[N@@H+](CC2CCCCC2)C1)c1ccc2c(c1)OCO2 ZINC000011714149 211240520 /nfs/dbraw/zinc/24/05/20/211240520.db2.gz DKTMPPLHBNZBGN-KRWDZBQOSA-N 1 1 344.455 3.190 50 0 EGAAMO c1ccc(-c2ncc(CN3C[C@H]4CC[C@H](C[N@@H+]4CC4CC4)C3)cn2)cc1 ZINC000091713348 218052579 /nfs/dbraw/zinc/05/25/79/218052579.db2.gz RCCVGVQNNCTHSV-GHTZIAJQSA-N 1 1 348.494 3.450 50 0 EGAAMO COc1ccc(C(=O)N2CCC[C@@H]([N@@H+](C)CCc3ccccc3)C2)o1 ZINC000011815869 211250241 /nfs/dbraw/zinc/25/02/41/211250241.db2.gz KWACDSFMUGXLFC-QGZVFWFLSA-N 1 1 342.439 3.067 50 0 EGAAMO Cc1ccc2[nH]c(CN3CC[N@@H+](C)C[C@@H]3c3ccccc3)cc(=O)c2c1 ZINC000091915345 218088077 /nfs/dbraw/zinc/08/80/77/218088077.db2.gz RGDGAIAJNJBJBS-OAQYLSRUSA-N 1 1 347.462 3.325 50 0 EGAAMO Cc1ccc2[nH]c(CN3CC[N@H+](C)C[C@@H]3c3ccccc3)cc(=O)c2c1 ZINC000091915345 218088078 /nfs/dbraw/zinc/08/80/78/218088078.db2.gz RGDGAIAJNJBJBS-OAQYLSRUSA-N 1 1 347.462 3.325 50 0 EGAAMO CCC[N@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1cccc(-c3ncc[nH]3)c1)C2 ZINC000091873217 218082171 /nfs/dbraw/zinc/08/21/71/218082171.db2.gz FBWODYJRYZZCII-CRAIPNDOSA-N 1 1 338.455 3.023 50 0 EGAAMO Cc1ccccc1C[N@H+]1CC[C@H](Cn2cc(-c3nccs3)nn2)C1 ZINC000095358576 218292461 /nfs/dbraw/zinc/29/24/61/218292461.db2.gz QTODTDXWEMCGKC-HNNXBMFYSA-N 1 1 339.468 3.232 50 0 EGAAMO Cc1nccn1CCC[N@H+]1CCC[C@H](c2nccn2CC2CCC2)C1 ZINC000095367743 218299827 /nfs/dbraw/zinc/29/98/27/218299827.db2.gz BCEUICNOLSIMBB-IBGZPJMESA-N 1 1 341.503 3.458 50 0 EGAAMO C[N@H+]1CCC[C@@H](CCC(=O)NCCc2ccccc2C(F)(F)F)C1 ZINC000095380458 218312410 /nfs/dbraw/zinc/31/24/10/218312410.db2.gz POJIEXHELYRERJ-AWEZNQCLSA-N 1 1 342.405 3.486 50 0 EGAAMO C[N@H+]1CCCC[C@@H]1CCC(=O)N1CC(Oc2ccccc2Cl)C1 ZINC000095389361 218321760 /nfs/dbraw/zinc/32/17/60/218321760.db2.gz SJNLBLOMFORUFO-CQSZACIVSA-N 1 1 336.863 3.194 50 0 EGAAMO Cc1ccc(NC(=O)CSc2nnc([C@@H]([NH3+])CC(C)C)o2)c(C)c1 ZINC000005045724 210372468 /nfs/dbraw/zinc/37/24/68/210372468.db2.gz ZZEAQLVUMAGFGP-ZDUSSCGKSA-N 1 1 348.472 3.463 50 0 EGAAMO C[C@H](Cc1cnccn1)[N@@H+](C)Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000097259248 219006553 /nfs/dbraw/zinc/00/65/53/219006553.db2.gz BPIPYRAGBZUKCN-CYBMUJFWSA-N 1 1 325.391 3.069 50 0 EGAAMO COCCCN(Cc1ccc(C)cc1)C(=O)NC[C@@H]1CCCC[N@H+]1C ZINC000426474281 257967557 /nfs/dbraw/zinc/96/75/57/257967557.db2.gz NNLOHRSWURPLNY-IBGZPJMESA-N 1 1 347.503 3.027 50 0 EGAAMO CO[C@]12CC[N@@H+](Cc3cnc(-c4ccccc4)s3)[C@H]1C[C@H](O)CC2 ZINC000299780576 258089364 /nfs/dbraw/zinc/08/93/64/258089364.db2.gz ARBHDAVBVYHRTE-HHXXYDBFSA-N 1 1 344.480 3.314 50 0 EGAAMO O=C(NCC[C@@H]1CCCC[N@H+]1C1CCCC1)c1cc(F)ccc1O ZINC000299783812 258091642 /nfs/dbraw/zinc/09/16/42/258091642.db2.gz VFKWBTHNCCHWBO-INIZCTEOSA-N 1 1 334.435 3.448 50 0 EGAAMO COc1cc(C)ccc1OCC[N@@H+]1CC[C@]2(OC)CC[C@H](OC)C[C@H]12 ZINC000299791660 258097400 /nfs/dbraw/zinc/09/74/00/258097400.db2.gz DZQZNKRGOLGLFK-FFZOFVMBSA-N 1 1 349.471 3.041 50 0 EGAAMO COCC[N@@H+](Cc1cccs1)Cc1cc2c(c(OC)c1)OCO2 ZINC000055060784 258061318 /nfs/dbraw/zinc/06/13/18/258061318.db2.gz FZLGLKTYZNJVHB-UHFFFAOYSA-N 1 1 335.425 3.134 50 0 EGAAMO Cc1cc(=O)[nH]c(C)c1C(=O)NCC[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000299760045 258077404 /nfs/dbraw/zinc/07/74/04/258077404.db2.gz UJEINFLIUWJXGK-QGZVFWFLSA-N 1 1 345.487 3.321 50 0 EGAAMO Cc1ccc(-c2cc(C(F)F)nc(N3CC[NH+](C)CC3)n2)cc1C ZINC000036618604 132391747 /nfs/dbraw/zinc/39/17/47/132391747.db2.gz ZBALIARTBDDIRZ-UHFFFAOYSA-N 1 1 332.398 3.450 50 0 EGAAMO c1cnc(N2CCC([C@H]3CC[N@H+](C4Cc5ccccc5C4)C3)CC2)nc1 ZINC000011933246 275073321 /nfs/dbraw/zinc/07/33/21/275073321.db2.gz IBXDDSMLQMRXNP-FQEVSTJZSA-N 1 1 348.494 3.182 50 0 EGAAMO Cc1cc(Cl)cc2c(N3C[C@H]4CC[C@@H](C3)C(=O)N4C)cc[nH+]c12 ZINC000095373700 280504670 /nfs/dbraw/zinc/50/46/70/280504670.db2.gz FYYVUALVCWUQFR-GXTWGEPZSA-N 1 1 329.831 3.254 50 0 EGAAMO Cc1cc(CN(C)C(=O)[C@H](c2ccc(F)cc2)[NH+]2CCCCC2)no1 ZINC000223420867 301270196 /nfs/dbraw/zinc/27/01/96/301270196.db2.gz GIHCPNFMRFUIOZ-SFHVURJKSA-N 1 1 345.418 3.308 50 0 EGAAMO C[N@@H+](CCC(=O)Nc1cc(F)ccc1F)Cc1ccc2c(c1)OCO2 ZINC000240499964 455263808 /nfs/dbraw/zinc/26/38/08/455263808.db2.gz NPODDJSSPURZIL-UHFFFAOYSA-N 1 1 348.349 3.154 50 0 EGAAMO COc1ccc(C[N@@H+](CCOC(C)=O)C2CCCCC2)cc1OC ZINC000000614905 452631793 /nfs/dbraw/zinc/63/17/93/452631793.db2.gz CYTBJYODFJLFKW-UHFFFAOYSA-N 1 1 335.444 3.402 50 0 EGAAMO CC[C@@]12CCC[N@H+]3CC[C@@]4(c5ccccc5NC4=C(C(=O)OC)C1)[C@@H]32 ZINC000001280297 452650269 /nfs/dbraw/zinc/65/02/69/452650269.db2.gz GIGFIWJRTMBSRP-HBMCJLEFSA-N 1 1 338.451 3.445 50 0 EGAAMO O=C(c1ccco1)N1CC[NH+](CCCCOc2ccc(F)cc2)CC1 ZINC000002275239 452692073 /nfs/dbraw/zinc/69/20/73/452692073.db2.gz ANCGVVKQRRYNLM-UHFFFAOYSA-N 1 1 346.402 3.036 50 0 EGAAMO Cc1cc(C)c2[nH]c(C)c(C[N@H+](C)C3CCN(C)CC3)c(=O)c2c1 ZINC000008714108 453226175 /nfs/dbraw/zinc/22/61/75/453226175.db2.gz FOERBJGOIQSZHA-UHFFFAOYSA-N 1 1 327.472 3.392 50 0 EGAAMO Cc1cc(C)c2[nH]c(C)c(CN(C)C3CC[NH+](C)CC3)c(=O)c2c1 ZINC000008714108 453226182 /nfs/dbraw/zinc/22/61/82/453226182.db2.gz FOERBJGOIQSZHA-UHFFFAOYSA-N 1 1 327.472 3.392 50 0 EGAAMO COc1cccc(CC[C@@H]2CCC[N@H+](C3CCN(C(C)=O)CC3)C2)c1 ZINC000015064795 453552997 /nfs/dbraw/zinc/55/29/97/453552997.db2.gz FEFDSDZKJUYBMY-IBGZPJMESA-N 1 1 344.499 3.351 50 0 EGAAMO COc1ccccc1N1CCN([C@@H]2CCC[N@H+](C3CCCC3)C2)CC1 ZINC000019336266 453656149 /nfs/dbraw/zinc/65/61/49/453656149.db2.gz RHZMWLWHCCJREN-LJQANCHMSA-N 1 1 343.515 3.224 50 0 EGAAMO CCC[N@@H+](CCO)Cc1ccc(OCc2ccccc2)c(OC)c1 ZINC000023281779 453707756 /nfs/dbraw/zinc/70/77/56/453707756.db2.gz ISVZZIOHAPUZCA-UHFFFAOYSA-N 1 1 329.440 3.479 50 0 EGAAMO O=c1c(C[N@H+]2CCC[C@@H](CO)C2)coc2c(Cl)cc(Cl)cc12 ZINC000023281304 453708351 /nfs/dbraw/zinc/70/83/51/453708351.db2.gz MFJASRFPTLMGHA-SNVBAGLBSA-N 1 1 342.222 3.304 50 0 EGAAMO O=c1c(C[N@@H+]2CCC[C@@H](CO)C2)coc2c(Cl)cc(Cl)cc12 ZINC000023281304 453708358 /nfs/dbraw/zinc/70/83/58/453708358.db2.gz MFJASRFPTLMGHA-SNVBAGLBSA-N 1 1 342.222 3.304 50 0 EGAAMO CCOC(=O)[C@H]1CCC[N@@H+](Cc2ccc(C(F)(F)F)nc2C)C1 ZINC000042784460 454025009 /nfs/dbraw/zinc/02/50/09/454025009.db2.gz PCJGLZNARMGWCW-ZDUSSCGKSA-N 1 1 330.350 3.184 50 0 EGAAMO Cc1[nH+]ccn1CC[C@H]1CCCCN1C(=O)CSc1ccccn1 ZINC000077287675 454086622 /nfs/dbraw/zinc/08/66/22/454086622.db2.gz DULCDRWOUMLZHI-MRXNPFEDSA-N 1 1 344.484 3.150 50 0 EGAAMO CC(C)CCN1C[C@@]2(CCC[N@H+](Cc3nccs3)C2)CCC1=O ZINC000077298507 454087888 /nfs/dbraw/zinc/08/78/88/454087888.db2.gz QJFWIFSPURPTDL-SFHVURJKSA-N 1 1 335.517 3.394 50 0 EGAAMO CC(C)CCN1C[C@@]2(CCC[N@@H+](Cc3nccs3)C2)CCC1=O ZINC000077298507 454087890 /nfs/dbraw/zinc/08/78/90/454087890.db2.gz QJFWIFSPURPTDL-SFHVURJKSA-N 1 1 335.517 3.394 50 0 EGAAMO O=C(CSCC1CC1)N1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000077406832 454102248 /nfs/dbraw/zinc/10/22/48/454102248.db2.gz PTNDAJXJNZUVRL-UHFFFAOYSA-N 1 1 336.476 3.003 50 0 EGAAMO O=C(CSCC1CC1)N1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000077406832 454102252 /nfs/dbraw/zinc/10/22/52/454102252.db2.gz PTNDAJXJNZUVRL-UHFFFAOYSA-N 1 1 336.476 3.003 50 0 EGAAMO Cc1nccn1CC[C@@H]1CCCC[N@@H+]1Cc1ccc(N(C)C)nc1 ZINC000077505834 454115248 /nfs/dbraw/zinc/11/52/48/454115248.db2.gz NPXDSLAKLSAYRM-SFHVURJKSA-N 1 1 327.476 3.097 50 0 EGAAMO COc1ccc(F)c(-c2nc(C[N@H+]3CCC[C@@H](CO)C3)c(C)o2)c1 ZINC000071755363 454214550 /nfs/dbraw/zinc/21/45/50/454214550.db2.gz ANMQZXUMNAELDW-CYBMUJFWSA-N 1 1 334.391 3.002 50 0 EGAAMO Cc1nn(C)c2nc(N3CCCC[C@@H]3CCn3cc[nH+]c3C)sc12 ZINC000095510062 454224844 /nfs/dbraw/zinc/22/48/44/454224844.db2.gz DWBRAVAVTOBNBU-CQSZACIVSA-N 1 1 344.488 3.292 50 0 EGAAMO Cc1ccc([C@@H]2C[N@H+](Cc3cnn(C(C)C)c3)C[C@H]2N(C)C)cc1 ZINC000095518631 454226308 /nfs/dbraw/zinc/22/63/08/454226308.db2.gz GZZKLCMIDKFRFG-VQTJNVASSA-N 1 1 326.488 3.302 50 0 EGAAMO Cc1ccc([C@@H]2C[N@@H+](Cc3cnn(C(C)C)c3)C[C@H]2N(C)C)cc1 ZINC000095518631 454226312 /nfs/dbraw/zinc/22/63/12/454226312.db2.gz GZZKLCMIDKFRFG-VQTJNVASSA-N 1 1 326.488 3.302 50 0 EGAAMO CC[N@@H+](C)C[C@@H](C)CNc1nc(C)nc2c1Cc1ccccc1OC2 ZINC000095522069 454228042 /nfs/dbraw/zinc/22/80/42/454228042.db2.gz LEFILRKHVJFVSP-AWEZNQCLSA-N 1 1 340.471 3.268 50 0 EGAAMO CC[C@@H](CO)[N@@H+](Cc1ccsc1)Cc1cc2c(c(OC)c1)OCO2 ZINC000063847725 454454847 /nfs/dbraw/zinc/45/48/47/454454847.db2.gz WJULKDROLHAYKR-HNNXBMFYSA-N 1 1 349.452 3.259 50 0 EGAAMO Cc1cccc(OCC[NH+]2CCN(Cc3ncccc3C)CC2)c1C ZINC000065381843 454556424 /nfs/dbraw/zinc/55/64/24/454556424.db2.gz HSHIGZHPHURADR-UHFFFAOYSA-N 1 1 339.483 3.203 50 0 EGAAMO COCC(=O)N1CCC[N@@H+](Cc2ccccc2-c2ccccc2)CC1 ZINC000065429179 454567418 /nfs/dbraw/zinc/56/74/18/454567418.db2.gz PTEBOSGXGUBFSV-UHFFFAOYSA-N 1 1 338.451 3.034 50 0 EGAAMO Cn1ccc2cc(C(=O)NC[C@H]3CCC[N@H+]4CCCC[C@@H]34)ccc21 ZINC000170613507 454942547 /nfs/dbraw/zinc/94/25/47/454942547.db2.gz ZSIYPRXNUQGSGS-MJGOQNOKSA-N 1 1 325.456 3.173 50 0 EGAAMO CC(C)c1noc([C@@H]2CCC[N@@H+]2CCC(=O)NCc2cccs2)n1 ZINC000244899545 455277915 /nfs/dbraw/zinc/27/79/15/455277915.db2.gz ZLLJPDBHMFEFDX-AWEZNQCLSA-N 1 1 348.472 3.098 50 0 EGAAMO CC(C)c1noc([C@@H]2CCC[N@H+]2CCC(=O)NCc2cccs2)n1 ZINC000244899545 455277921 /nfs/dbraw/zinc/27/79/21/455277921.db2.gz ZLLJPDBHMFEFDX-AWEZNQCLSA-N 1 1 348.472 3.098 50 0 EGAAMO O=C(CC[N@H+]1CCCC[C@H]1CCc1ccccn1)Nc1nccs1 ZINC000252480002 455807081 /nfs/dbraw/zinc/80/70/81/455807081.db2.gz BRLFPXKZSBUQCO-INIZCTEOSA-N 1 1 344.484 3.354 50 0 EGAAMO CN(Cc1ccc2c(c1)C[N@H+](C)C2)C(=O)c1ccc2ncccc2c1 ZINC000219833644 456036052 /nfs/dbraw/zinc/03/60/52/456036052.db2.gz XUCWXPAWAREDMW-UHFFFAOYSA-N 1 1 331.419 3.452 50 0 EGAAMO CC[C@@H](NC(=O)CC[NH+]1CCCCC1)c1nc2ccc(C)cc2[nH]1 ZINC000219819062 456036817 /nfs/dbraw/zinc/03/68/17/456036817.db2.gz UDIAUTSDOYEMKC-OAHLLOKOSA-N 1 1 328.460 3.315 50 0 EGAAMO CCc1ccc(CN(C)C(=O)[C@H](c2cccc(F)c2)[NH+](C)C)nc1 ZINC000219831515 456036879 /nfs/dbraw/zinc/03/68/79/456036879.db2.gz VEFGKYWVTPITRW-SFHVURJKSA-N 1 1 329.419 3.044 50 0 EGAAMO O=C(Nc1ccc2c(c1)COC2)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000299769894 456780552 /nfs/dbraw/zinc/78/05/52/456780552.db2.gz OJXIVSJCDALXEL-IBGZPJMESA-N 1 1 337.423 3.113 50 0 EGAAMO CN(Cc1ccc(C(F)(F)F)cc1)C(=O)NCC[C@@H]1CCC[N@H+]1C ZINC000426531509 457851379 /nfs/dbraw/zinc/85/13/79/457851379.db2.gz AKUVGWPOFWARJJ-HNNXBMFYSA-N 1 1 343.393 3.331 50 0 EGAAMO OC[C@H]1C[N@@H+](Cc2cccc(Oc3ccc(Cl)cc3)c2)CC[C@H]1O ZINC000665257225 462373715 /nfs/dbraw/zinc/37/37/15/462373715.db2.gz NYHJBUIUHBVHPN-DNVCBOLYSA-N 1 1 347.842 3.307 50 0 EGAAMO COc1ccc(C(=O)NCC[N@H+]2CCC[C@@H](c3ccccc3)C2)cc1 ZINC000670439874 548216009 /nfs/dbraw/zinc/21/60/09/548216009.db2.gz AGDSFCXNBATXKT-LJQANCHMSA-N 1 1 338.451 3.305 50 0 EGAAMO CCNC(=O)c1ccc(NCC[C@H]2CCCC[N@H+]2C2CCCC2)nc1 ZINC000670437330 548216305 /nfs/dbraw/zinc/21/63/05/548216305.db2.gz AOOLDEZCTMNNSF-GOSISDBHSA-N 1 1 344.503 3.430 50 0 EGAAMO CC(C)C[C@@H](NC(=O)c1cccs1)c1ncnn1-c1cc[nH+]cc1 ZINC000670473672 548221577 /nfs/dbraw/zinc/22/15/77/548221577.db2.gz ILMXXFVKAMSJLN-CQSZACIVSA-N 1 1 341.440 3.241 50 0 EGAAMO COc1ccc(N[C@H]2CCC[N@@H+](Cc3cccc(C)n3)C2)cc1OC ZINC000012319417 1291132060 /nfs/dbraw/zinc/13/20/60/1291132060.db2.gz IBTGHPVJYMMYSV-SFHVURJKSA-N 1 1 341.455 3.484 50 0 EGAAMO C1=C[C@@H]2C[C@H]1C[C@@H]2C[N@H+]1CCc2[nH]nc(-c3ccc4c(c3)OCO4)c2C1 ZINC000019811288 1291193127 /nfs/dbraw/zinc/19/31/27/1291193127.db2.gz VWBWIGNANHMGAS-SQWLQELKSA-N 1 1 349.434 3.376 50 0 EGAAMO CC(C)c1nnc2n1CC[N@H+](Cc1ccc(C(F)(F)F)cc1)CC2 ZINC000023153334 1291231038 /nfs/dbraw/zinc/23/10/38/1291231038.db2.gz FHXRFBMCVCQCJB-UHFFFAOYSA-N 1 1 338.377 3.479 50 0 EGAAMO Cc1cc(NC(=O)[C@]2(C)CC[N@H+](C)C2)ccc1NC(=O)C(C)(C)C ZINC000952861766 1334583315 /nfs/dbraw/zinc/58/33/15/1334583315.db2.gz KAWXUXKUSADKRT-LJQANCHMSA-N 1 1 331.460 3.260 50 0 EGAAMO Cc1cccc(C[N@@H+](C[C@H]2CCCO2)CC(C)(C)N2CCOCC2)c1 ZINC000952868491 1334584164 /nfs/dbraw/zinc/58/41/64/1334584164.db2.gz QFANTCVJSCJHNJ-HXUWFJFHSA-N 1 1 346.515 3.087 50 0 EGAAMO Cc1nn(C)c(Cl)c1CNCC[N@H+]1CC[C@H](c2ccccc2C)C1 ZINC000952983419 1334630020 /nfs/dbraw/zinc/63/00/20/1334630020.db2.gz DWDLEWLHYXDGMZ-INIZCTEOSA-N 1 1 346.906 3.269 50 0 EGAAMO Cc1nn(C)c(Cl)c1C[NH2+]CCN1CC[C@H](c2ccccc2C)C1 ZINC000952983419 1334630024 /nfs/dbraw/zinc/63/00/24/1334630024.db2.gz DWDLEWLHYXDGMZ-INIZCTEOSA-N 1 1 346.906 3.269 50 0 EGAAMO CC(C)Cc1ccc(C[N@H+]2CC[C@@]3(CO)CCCN(C)[C@@H]3C2)cc1 ZINC001704338169 1416448984 /nfs/dbraw/zinc/44/89/84/1416448984.db2.gz NXIWWYUWXRLSON-NHCUHLMSSA-N 1 1 330.516 3.164 50 0 EGAAMO CC(C)Cc1ccc(CN2CC[C@@]3(CO)CCC[N@H+](C)[C@@H]3C2)cc1 ZINC001704338169 1416448986 /nfs/dbraw/zinc/44/89/86/1416448986.db2.gz NXIWWYUWXRLSON-NHCUHLMSSA-N 1 1 330.516 3.164 50 0 EGAAMO CC(C)Cc1ccc(CN2CC[C@@]3(CO)CCC[N@@H+](C)[C@@H]3C2)cc1 ZINC001704338169 1416448988 /nfs/dbraw/zinc/44/89/88/1416448988.db2.gz NXIWWYUWXRLSON-NHCUHLMSSA-N 1 1 330.516 3.164 50 0 EGAAMO CO[C@H]1C[N@@H+](CCOc2cccc(C)c2C)C[C@H]1Cc1cc(C)no1 ZINC001704342206 1416449451 /nfs/dbraw/zinc/44/94/51/1416449451.db2.gz KOVVDYJARYVUIJ-XLIONFOSSA-N 1 1 344.455 3.168 50 0 EGAAMO CCc1[nH+]ccn1CCNC(=O)c1ccc(N2CCCC2)c(Cl)c1 ZINC001704349414 1416452252 /nfs/dbraw/zinc/45/22/52/1416452252.db2.gz GVLWTGATWHYIMH-UHFFFAOYSA-N 1 1 346.862 3.129 50 0 EGAAMO CC(C)=CCC/C(C)=C/C[N@@H+]1CCCN(C(=O)c2ccnn2C)CC1 ZINC001772709244 1441417053 /nfs/dbraw/zinc/41/70/53/1441417053.db2.gz IPEYSXXWGHYMQL-VCHYOVAHSA-N 1 1 344.503 3.261 50 0 EGAAMO CCC[N@H+]1C[C@@H]2CN(c3noc(C)n3)C[C@]2(CCc2ccccc2)C1 ZINC001772810831 1441417629 /nfs/dbraw/zinc/41/76/29/1441417629.db2.gz NXRVVVPBPJMBEC-QUCCMNQESA-N 1 1 340.471 3.159 50 0 EGAAMO CC(C)N1C[C@@H](C[N@@H+]2CCOc3ccc(Cl)cc3C2)CCC1=O ZINC001772817963 1441417678 /nfs/dbraw/zinc/41/76/78/1441417678.db2.gz KLJUNISQCWDTKC-CQSZACIVSA-N 1 1 336.863 3.181 50 0 EGAAMO CC(C)N1C[C@@H](C[N@H+]2CCOc3ccc(Cl)cc3C2)CCC1=O ZINC001772817963 1441417679 /nfs/dbraw/zinc/41/76/79/1441417679.db2.gz KLJUNISQCWDTKC-CQSZACIVSA-N 1 1 336.863 3.181 50 0 EGAAMO CC(=O)Oc1c(C)cc(C[NH2+][C@@H](CC(C)C)c2ncnn2C)cc1C ZINC000055211152 214288992 /nfs/dbraw/zinc/28/89/92/214288992.db2.gz WERATUPNIAKAGR-KRWDZBQOSA-N 1 1 344.459 3.234 50 0 EGAAMO CCOc1ccc(C[N@@H+](Cc2c(C)nn(CCO)c2C)C2CC2)cc1 ZINC000055242896 214293674 /nfs/dbraw/zinc/29/36/74/214293674.db2.gz QILWKEYOINYMBY-UHFFFAOYSA-N 1 1 343.471 3.056 50 0 EGAAMO Cc1nn(C)c(N(C)C)c1C[NH2+][C@@H]1CCOc2c(C)cc(C)cc21 ZINC000065535225 282268775 /nfs/dbraw/zinc/26/87/75/282268775.db2.gz BXZYCSSZOHFLML-QGZVFWFLSA-N 1 1 328.460 3.025 50 0 EGAAMO O=C(Nc1ccc(F)cc1F)N1CC[NH+](CCc2ccccc2)CC1 ZINC000004324645 210172189 /nfs/dbraw/zinc/17/21/89/210172189.db2.gz NSXAYBGVSQBBDO-UHFFFAOYSA-N 1 1 345.393 3.357 50 0 EGAAMO O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1Cc2ccccc2C1 ZINC000067588110 215165124 /nfs/dbraw/zinc/16/51/24/215165124.db2.gz FMDXTKQGBMJILU-SFHVURJKSA-N 1 1 334.463 3.040 50 0 EGAAMO C[C@H]1CCCC[N@H+]1CCN(C)C1CCN(C(=O)c2ccccc2)CC1 ZINC000067643802 215172722 /nfs/dbraw/zinc/17/27/22/215172722.db2.gz GJOLMOVSBBBFBE-SFHVURJKSA-N 1 1 343.515 3.097 50 0 EGAAMO C[C@H]1CCCCN1CC[N@H+](C)C1CCN(C(=O)c2ccccc2)CC1 ZINC000067643802 215172725 /nfs/dbraw/zinc/17/27/25/215172725.db2.gz GJOLMOVSBBBFBE-SFHVURJKSA-N 1 1 343.515 3.097 50 0 EGAAMO C[C@H]1CCCCN1CC[N@@H+](C)C1CCN(C(=O)c2ccccc2)CC1 ZINC000067643802 215172728 /nfs/dbraw/zinc/17/27/28/215172728.db2.gz GJOLMOVSBBBFBE-SFHVURJKSA-N 1 1 343.515 3.097 50 0 EGAAMO CCOc1ccc2oc(C)c(C(=O)NC[C@H]3CCC[N@@H+](C)C3)c2c1 ZINC000067674371 215178771 /nfs/dbraw/zinc/17/87/71/215178771.db2.gz UTUHXHAGGLCJFF-CQSZACIVSA-N 1 1 330.428 3.212 50 0 EGAAMO CC(=O)NC[C@@H]1CCC[N@@H+](C/C(C)=C/c2cc(Cl)ccc2O)C1 ZINC000067692139 215187052 /nfs/dbraw/zinc/18/70/52/215187052.db2.gz UQKIELUHHFEOCQ-NRUITVPNSA-N 1 1 336.863 3.297 50 0 EGAAMO CC(C)[C@@H](C)N(C)C(=O)c1cc(C[N@@H+](C)CCc2ccccc2)on1 ZINC000067726050 215196879 /nfs/dbraw/zinc/19/68/79/215196879.db2.gz HFNWHGOYEMUMRY-MRXNPFEDSA-N 1 1 343.471 3.466 50 0 EGAAMO CC(C)=CC(=O)NC[C@@H]1CCC[N@@H+](Cc2cc3ccccc3[nH]2)C1 ZINC000067850889 215231716 /nfs/dbraw/zinc/23/17/16/215231716.db2.gz RMDQKVARAGPGST-INIZCTEOSA-N 1 1 325.456 3.462 50 0 EGAAMO O=C(C1CCC1)N1CCC[N@H+](Cc2ccc([C@@H]3CCCO3)s2)CC1 ZINC000067871506 215235890 /nfs/dbraw/zinc/23/58/90/215235890.db2.gz XJXHYKJAHVJVGT-KRWDZBQOSA-N 1 1 348.512 3.434 50 0 EGAAMO O=C(C1CCC1)N1CCC[N@@H+](Cc2ccc([C@@H]3CCCO3)s2)CC1 ZINC000067871506 215235893 /nfs/dbraw/zinc/23/58/93/215235893.db2.gz XJXHYKJAHVJVGT-KRWDZBQOSA-N 1 1 348.512 3.434 50 0 EGAAMO CC(C)[N@H+]1CCN(Cc2ccccc2OC2CCCC2)C[C@H]1CCO ZINC000104372421 219379825 /nfs/dbraw/zinc/37/98/25/219379825.db2.gz XFPKLITVRMKDLQ-LJQANCHMSA-N 1 1 346.515 3.285 50 0 EGAAMO COCc1ncc(C[N@H+]2CCCC[C@@H]2CCc2cccc(O)c2)cn1 ZINC000072151865 216039977 /nfs/dbraw/zinc/03/99/77/216039977.db2.gz PAUTXJOGXAOXGR-GOSISDBHSA-N 1 1 341.455 3.316 50 0 EGAAMO COc1ccccc1[C@H]1C[N@@H+](Cc2cccnc2)[C@H]2[C@@H]1N1CCC2CC1 ZINC000072154617 216043255 /nfs/dbraw/zinc/04/32/55/216043255.db2.gz JYVXBIUNSQVBAR-CEMLEFRQSA-N 1 1 349.478 3.152 50 0 EGAAMO COc1ccccc1[C@H]1CN(Cc2cccnc2)[C@H]2[C@@H]1[NH+]1CCC2CC1 ZINC000072154617 216043260 /nfs/dbraw/zinc/04/32/60/216043260.db2.gz JYVXBIUNSQVBAR-CEMLEFRQSA-N 1 1 349.478 3.152 50 0 EGAAMO Cc1nc([C@@H]2CCC[N@@H+](Cc3ccnc4ccccc34)C2)cc(=O)[nH]1 ZINC000072155003 216044169 /nfs/dbraw/zinc/04/41/69/216044169.db2.gz IBODSAFBHXBEPX-MRXNPFEDSA-N 1 1 334.423 3.006 50 0 EGAAMO Cc1cnn(CCC[N@H+]2CCC[C@@H](C(=O)Cc3ccccc3)C2)c1 ZINC000072159374 216049220 /nfs/dbraw/zinc/04/92/20/216049220.db2.gz KKKSHLXBWFLKGF-LJQANCHMSA-N 1 1 325.456 3.105 50 0 EGAAMO COc1cc(F)c(CN(C)C[C@H]2CCC[N@H+](C(C)C)C2)cc1OC ZINC000072168357 216059839 /nfs/dbraw/zinc/05/98/39/216059839.db2.gz OAVNGFOSMVGMPT-OAHLLOKOSA-N 1 1 338.467 3.395 50 0 EGAAMO Cc1cc2nc(C)cc(NCc3ccccc3-n3cc[nH+]c3C)n2n1 ZINC000072408298 216199251 /nfs/dbraw/zinc/19/92/51/216199251.db2.gz ORDZYVDNYLEODN-UHFFFAOYSA-N 1 1 332.411 3.452 50 0 EGAAMO CCn1cc(C[N@H+]2CCC[C@H](C(=O)CCc3ccccc3)C2)cn1 ZINC000072411454 216203666 /nfs/dbraw/zinc/20/36/66/216203666.db2.gz SFUWQBGMRVYTQZ-IBGZPJMESA-N 1 1 325.456 3.317 50 0 EGAAMO c1ccc(CNc2ncnc3c2CC[N@@H+](C[C@@H]2CC=CCC2)CC3)nc1 ZINC000072419486 216207462 /nfs/dbraw/zinc/20/74/62/216207462.db2.gz PFYACMCUWCDATL-QGZVFWFLSA-N 1 1 349.482 3.241 50 0 EGAAMO CC(C)(O)CCc1ccc(CN2CCN(c3cc[nH+]cc3)CC2)cc1 ZINC000072473455 216250272 /nfs/dbraw/zinc/25/02/72/216250272.db2.gz RDYFAXLYLPHMKM-UHFFFAOYSA-N 1 1 339.483 3.107 50 0 EGAAMO O=c1cc(C(F)F)nc(-c2cccc(C[N@H+]3CCCOCC3)c2)[nH]1 ZINC000023379526 212371834 /nfs/dbraw/zinc/37/18/34/212371834.db2.gz QWTUZAASESNGLB-UHFFFAOYSA-N 1 1 335.354 3.009 50 0 EGAAMO CN(C)c1ncc(CN2CCC[C@@H]([N@@H+](C)Cc3ccccc3)C2)s1 ZINC000023358232 212370172 /nfs/dbraw/zinc/37/01/72/212370172.db2.gz VPLMNHKFPMRUJL-QGZVFWFLSA-N 1 1 344.528 3.306 50 0 EGAAMO CCc1ccc(C[N@@H+]2CCN(Cc3ccc(F)cc3)[C@@H](CCO)C2)o1 ZINC000023145616 212355683 /nfs/dbraw/zinc/35/56/83/212355683.db2.gz BHENHGYBBZGEHB-SFHVURJKSA-N 1 1 346.446 3.050 50 0 EGAAMO CCc1ccc(C[N@H+]2CCN(Cc3ccc(F)cc3)[C@@H](CCO)C2)o1 ZINC000023145616 212355685 /nfs/dbraw/zinc/35/56/85/212355685.db2.gz BHENHGYBBZGEHB-SFHVURJKSA-N 1 1 346.446 3.050 50 0 EGAAMO CCn1ccnc1CN(C)[C@H]1CCC[N@@H+](CCCc2ccccc2)C1 ZINC000022910573 212332988 /nfs/dbraw/zinc/33/29/88/212332988.db2.gz HKOGFGVAPZGRHS-FQEVSTJZSA-N 1 1 340.515 3.432 50 0 EGAAMO COCCc1noc([C@@H]2CCC[N@@H+](Cc3cccc4[nH]ccc43)C2)n1 ZINC000214989249 241100242 /nfs/dbraw/zinc/10/02/42/241100242.db2.gz ZJAPEJZVULGHRS-OAHLLOKOSA-N 1 1 340.427 3.119 50 0 EGAAMO CCc1ncc(C[N@H+]2CCC[C@H](c3nc4ccccc4n3C)C2)cn1 ZINC000215262538 241113804 /nfs/dbraw/zinc/11/38/04/241113804.db2.gz VVAGNAZDGUXNDV-INIZCTEOSA-N 1 1 335.455 3.305 50 0 EGAAMO OC[C@]1(O)CC[N@@H+](Cc2ccc(-c3cccc(Cl)c3Cl)o2)C1 ZINC000215706033 241140369 /nfs/dbraw/zinc/14/03/69/241140369.db2.gz CPZLQSFJJCIUIY-INIZCTEOSA-N 1 1 342.222 3.183 50 0 EGAAMO COc1cc(CN2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)ccc1OCC=C(C)C ZINC000215749206 241143803 /nfs/dbraw/zinc/14/38/03/241143803.db2.gz DSARIJMYQMEVLK-ZWKOTPCHSA-N 1 1 330.472 3.176 50 0 EGAAMO CCc1nccc(C[N@H+]2CCC[C@@H](c3nc(-c4ccccc4)no3)C2)n1 ZINC000216301949 241180368 /nfs/dbraw/zinc/18/03/68/241180368.db2.gz YQKYAYPYQUTNMZ-MRXNPFEDSA-N 1 1 349.438 3.469 50 0 EGAAMO Cc1ccc(-c2ccccc2C[N@H+]2CCC[C@@](CO)(CN(C)C)C2)o1 ZINC000216522054 241197315 /nfs/dbraw/zinc/19/73/15/241197315.db2.gz XHOJWBJRNZZGMB-OAQYLSRUSA-N 1 1 342.483 3.391 50 0 EGAAMO Cc1ccc(-c2ccccc2C[N@@H+]2CCC[C@@](CO)(CN(C)C)C2)o1 ZINC000216522054 241197322 /nfs/dbraw/zinc/19/73/22/241197322.db2.gz XHOJWBJRNZZGMB-OAQYLSRUSA-N 1 1 342.483 3.391 50 0 EGAAMO c1nnc([C@H]2CCC[N@H+](Cc3cnc(C4CCCCC4)nc3)C2)[nH]1 ZINC000216515183 241197863 /nfs/dbraw/zinc/19/78/63/241197863.db2.gz SRCKGIUEYQARTR-INIZCTEOSA-N 1 1 326.448 3.022 50 0 EGAAMO CCCn1ccnc1CN(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000215563488 241130963 /nfs/dbraw/zinc/13/09/63/241130963.db2.gz ACQJSFZRPAPDKD-LJQANCHMSA-N 1 1 326.488 3.247 50 0 EGAAMO CSc1ccc(C[N@H+]2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)cc1 ZINC000022023265 212271516 /nfs/dbraw/zinc/27/15/16/212271516.db2.gz OCEHNWSDBTZKPF-CVEARBPZSA-N 1 1 326.465 3.190 50 0 EGAAMO O=C(NC[C@@H](c1ccsc1)[NH+]1CCC1)C1(c2ccc(F)cc2)CC1 ZINC000252549099 283970049 /nfs/dbraw/zinc/97/00/49/283970049.db2.gz QURNNCLHXINIIW-KRWDZBQOSA-N 1 1 344.455 3.482 50 0 EGAAMO C[N@H+]1CCN(Cc2ccc(-c3ccccc3Cl)o2)C[C@@H]1CCO ZINC000020994523 212195124 /nfs/dbraw/zinc/19/51/24/212195124.db2.gz INQYXBDWBAKYFL-AWEZNQCLSA-N 1 1 334.847 3.098 50 0 EGAAMO C[N@@H+](CCc1nc2ccccc2[nH]1)Cc1cncn1Cc1ccccc1 ZINC000244708357 243064403 /nfs/dbraw/zinc/06/44/03/243064403.db2.gz KSGUNBHCBIAWMN-UHFFFAOYSA-N 1 1 345.450 3.482 50 0 EGAAMO Cc1nccn1CCC[N@H+](C)CCc1nc2cc(Cl)ccc2[nH]1 ZINC000244659684 243050247 /nfs/dbraw/zinc/05/02/47/243050247.db2.gz HHFFWCRHCMBCSM-UHFFFAOYSA-N 1 1 331.851 3.286 50 0 EGAAMO CC(C)c1nnsc1C[NH+]1CCC([C@H](O)c2ccccn2)CC1 ZINC000244685579 243057214 /nfs/dbraw/zinc/05/72/14/243057214.db2.gz ISQPZHMEZFCIFL-KRWDZBQOSA-N 1 1 332.473 3.002 50 0 EGAAMO CC(C)C[C@@H]1COCC[N@H+]1CCC(=O)NCc1cccc(Cl)c1 ZINC000244723589 243069989 /nfs/dbraw/zinc/06/99/89/243069989.db2.gz MEDXVSVWHBZIDQ-QGZVFWFLSA-N 1 1 338.879 3.093 50 0 EGAAMO c1ccc(COc2ccccc2OCCC[NH+]2CCOCC2)cc1 ZINC000020639628 212159040 /nfs/dbraw/zinc/15/90/40/212159040.db2.gz YATAUDXJDMFCES-UHFFFAOYSA-N 1 1 327.424 3.367 50 0 EGAAMO OCC[C@@H]1CN(Cc2cccc3cnccc32)CC[N@H+]1C1CCCC1 ZINC000020540716 212145373 /nfs/dbraw/zinc/14/53/73/212145373.db2.gz SPDYTIXLAOAVRK-HXUWFJFHSA-N 1 1 339.483 3.046 50 0 EGAAMO CCOc1cc2c(cc1OCC)[C@@H](c1c(C)nn(C)c1Cl)[NH2+]CC2 ZINC000020494448 212140593 /nfs/dbraw/zinc/14/05/93/212140593.db2.gz SEOTUUODKPUIQM-KRWDZBQOSA-N 1 1 349.862 3.414 50 0 EGAAMO Cc1cc(C)cc(OCC(=O)N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000020233125 212113051 /nfs/dbraw/zinc/11/30/51/212113051.db2.gz CVFLAFINNLOIMG-UHFFFAOYSA-N 1 1 338.451 3.027 50 0 EGAAMO CCOc1ccccc1NC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020190241 212109418 /nfs/dbraw/zinc/10/94/18/212109418.db2.gz BQRWXYAUZNNZIL-UHFFFAOYSA-N 1 1 339.439 3.435 50 0 EGAAMO Cc1cccc(-c2noc(CN3CC[NH+](Cc4ccccc4)CC3)n2)c1 ZINC000019920500 212083473 /nfs/dbraw/zinc/08/34/73/212083473.db2.gz OYZSNRFNLUEPNW-UHFFFAOYSA-N 1 1 348.450 3.363 50 0 EGAAMO Cc1[nH]c2c(cccc2C[N@H+]2CCN(CC(C)C)C(=O)[C@H]2C)c1C ZINC000077408288 216898337 /nfs/dbraw/zinc/89/83/37/216898337.db2.gz JBHKFMTXLWQWRU-MRXNPFEDSA-N 1 1 327.472 3.473 50 0 EGAAMO Cc1[nH]c2c(cccc2C[N@@H+]2CCN(CC(C)C)C(=O)[C@H]2C)c1C ZINC000077408288 216898339 /nfs/dbraw/zinc/89/83/39/216898339.db2.gz JBHKFMTXLWQWRU-MRXNPFEDSA-N 1 1 327.472 3.473 50 0 EGAAMO CCOc1ccc(CN2CC[NH+](Cc3ccc(OC)cc3)CC2)cc1 ZINC000019788398 212066567 /nfs/dbraw/zinc/06/65/67/212066567.db2.gz MXZAJNLDMHBFSJ-UHFFFAOYSA-N 1 1 340.467 3.412 50 0 EGAAMO CCOc1ccc(C[NH+]2CCN(Cc3ccc(OC)cc3)CC2)cc1 ZINC000019788398 212066570 /nfs/dbraw/zinc/06/65/70/212066570.db2.gz MXZAJNLDMHBFSJ-UHFFFAOYSA-N 1 1 340.467 3.412 50 0 EGAAMO CCOc1cc(CNC[C@H]2CCC[N@@H+]2CC)cc(Cl)c1OC ZINC000019366893 212022775 /nfs/dbraw/zinc/02/27/75/212022775.db2.gz ZEENNJGDHOKPNN-CQSZACIVSA-N 1 1 326.868 3.321 50 0 EGAAMO CCOc1cc(CNC[C@H]2CCC[N@H+]2CC)cc(Cl)c1OC ZINC000019366893 212022778 /nfs/dbraw/zinc/02/27/78/212022778.db2.gz ZEENNJGDHOKPNN-CQSZACIVSA-N 1 1 326.868 3.321 50 0 EGAAMO COc1cccc(C[NH+]2CCN(Cc3c[nH]c4ccccc34)CC2)c1 ZINC000019360223 212021486 /nfs/dbraw/zinc/02/14/86/212021486.db2.gz OZMANBDQGFOPQR-UHFFFAOYSA-N 1 1 335.451 3.494 50 0 EGAAMO CCOC(=O)C1(Cc2ccccc2)CC[NH+](Cc2cc(C)n[nH]2)CC1 ZINC000012316492 211345151 /nfs/dbraw/zinc/34/51/51/211345151.db2.gz KYQNRJJJVACHKD-UHFFFAOYSA-N 1 1 341.455 3.106 50 0 EGAAMO O=C1N(CC2CCC2)CCC[C@]12CC[N@H+](Cc1cccc(O)c1)C2 ZINC000012209065 211319700 /nfs/dbraw/zinc/31/97/00/211319700.db2.gz KZNVQJDTMVRXLK-HXUWFJFHSA-N 1 1 328.456 3.007 50 0 EGAAMO CC(C)Oc1cccc(C(=O)[C@@H]2CCC[N@H+](Cc3cnn(C)c3)C2)c1 ZINC000012092994 211289113 /nfs/dbraw/zinc/28/91/13/211289113.db2.gz QWQNSGFDXVBLLQ-GOSISDBHSA-N 1 1 341.455 3.302 50 0 EGAAMO CC(C)Oc1cccc(C(=O)[C@@H]2CCC[N@@H+](Cc3cnn(C)c3)C2)c1 ZINC000012092994 211289118 /nfs/dbraw/zinc/28/91/18/211289118.db2.gz QWQNSGFDXVBLLQ-GOSISDBHSA-N 1 1 341.455 3.302 50 0 EGAAMO CSCCC(=O)N(CCc1ccccc1)C[C@H]1CCC[N@@H+](C)C1 ZINC000011874951 211263617 /nfs/dbraw/zinc/26/36/17/211263617.db2.gz WNTFEVVCMGVUFK-SFHVURJKSA-N 1 1 334.529 3.153 50 0 EGAAMO Cc1cnc(C)c(N2CCC(c3[nH+]ccn3Cc3cccnc3)CC2)n1 ZINC000091416729 218001986 /nfs/dbraw/zinc/00/19/86/218001986.db2.gz VSFIAWVKKGJPKY-UHFFFAOYSA-N 1 1 348.454 3.117 50 0 EGAAMO CSc1ccccc1C(=O)N[C@H]1CCC[N@H+](Cc2ccccn2)C1 ZINC000011937525 211272915 /nfs/dbraw/zinc/27/29/15/211272915.db2.gz JCTIHIIXXQLOQU-INIZCTEOSA-N 1 1 341.480 3.198 50 0 EGAAMO CSc1ccccc1C(=O)N[C@H]1CCC[N@@H+](Cc2ccccn2)C1 ZINC000011937525 211272916 /nfs/dbraw/zinc/27/29/16/211272916.db2.gz JCTIHIIXXQLOQU-INIZCTEOSA-N 1 1 341.480 3.198 50 0 EGAAMO Cc1ccc(C[C@@H](C)[N@@H+]2CCC(=O)N(Cc3ccncc3)CC2)cc1 ZINC000011910989 211267235 /nfs/dbraw/zinc/26/72/35/211267235.db2.gz CPVLWVXAKGRYJN-GOSISDBHSA-N 1 1 337.467 3.056 50 0 EGAAMO Cc1ccc(N2CCC(c3[nH+]ccn3Cc3ccccn3)CC2)nc1 ZINC000091526268 218018320 /nfs/dbraw/zinc/01/83/20/218018320.db2.gz BTUGNQOTIGNLJG-UHFFFAOYSA-N 1 1 333.439 3.414 50 0 EGAAMO COc1cc(Cl)cc(C[NH2+]Cc2cccnc2N(C)C)c1OC ZINC000011840686 211254760 /nfs/dbraw/zinc/25/47/60/211254760.db2.gz SAVHNPMURJPGMD-UHFFFAOYSA-N 1 1 335.835 3.108 50 0 EGAAMO Cc1cccc(-n2cc(C[N@@H+](C)CCO)c(-c3cccc(F)c3)n2)c1 ZINC000011838875 211253605 /nfs/dbraw/zinc/25/36/05/211253605.db2.gz XSGWUSAUEXMQTK-UHFFFAOYSA-N 1 1 339.414 3.411 50 0 EGAAMO O=C(N[C@@H]1CCC[N@@H+](CC2CCCCC2)C1)c1ccc2c(c1)OCO2 ZINC000011714141 211240639 /nfs/dbraw/zinc/24/06/39/211240639.db2.gz DKTMPPLHBNZBGN-QGZVFWFLSA-N 1 1 344.455 3.190 50 0 EGAAMO C[C@@H]1C[N@@H+](Cc2cnn(-c3ccccc3F)c2)CC[C@@]1(O)C1CCC1 ZINC000091663086 218042446 /nfs/dbraw/zinc/04/24/46/218042446.db2.gz GVOIYHYEOWHKSD-QRWLVFNGSA-N 1 1 343.446 3.384 50 0 EGAAMO Fc1ccc(N[C@@H]2CCC[N@@H+](Cc3cccc4nonc43)C2)cc1 ZINC000011661690 211229936 /nfs/dbraw/zinc/22/99/36/211229936.db2.gz XYZLMMBZBWWGAG-MRXNPFEDSA-N 1 1 326.375 3.438 50 0 EGAAMO CC[C@H]1CCCC[N@H+]1CCCNS(=O)(=O)c1ccc(Cl)cc1 ZINC000010544205 211179787 /nfs/dbraw/zinc/17/97/87/211179787.db2.gz RHADBQQNRGQFSO-HNNXBMFYSA-N 1 1 344.908 3.273 50 0 EGAAMO COc1ccccc1C1CCN(C(=O)[C@H]2CCCCC[N@H+]2C)CC1 ZINC000095356151 218289909 /nfs/dbraw/zinc/28/99/09/218289909.db2.gz PRHWBULPRVEFMN-GOSISDBHSA-N 1 1 330.472 3.276 50 0 EGAAMO COCCCC1CCN(C(=O)[C@@H](c2ccccc2C)[NH+](C)C)CC1 ZINC000095357522 218290152 /nfs/dbraw/zinc/29/01/52/218290152.db2.gz NQOGLZWQUHLGQL-LJQANCHMSA-N 1 1 332.488 3.263 50 0 EGAAMO Cc1cnc(C)c(N2CCC[C@@H](c3[nH+]ccn3Cc3ccccn3)C2)n1 ZINC000095363594 218296945 /nfs/dbraw/zinc/29/69/45/218296945.db2.gz HXYQKZXKBWARPB-QGZVFWFLSA-N 1 1 348.454 3.117 50 0 EGAAMO C[NH+](C)[C@H](C(=O)N(Cc1ccc(O)cc1)C1CC1)c1cccc(F)c1 ZINC000095368943 218301811 /nfs/dbraw/zinc/30/18/11/218301811.db2.gz LWUJQPIDFHWBKD-IBGZPJMESA-N 1 1 342.414 3.325 50 0 EGAAMO Cc1ccc(OC2CCN(C(=O)CC[C@@H]3CCC[N@H+](C)C3)CC2)cc1 ZINC000095370258 218303337 /nfs/dbraw/zinc/30/33/37/218303337.db2.gz LICKRRUXBVRVHJ-SFHVURJKSA-N 1 1 344.499 3.487 50 0 EGAAMO O=C(c1ccc(F)c(F)c1)N1C[C@H]2CC[C@H](C[N@@H+]2CC2CCC2)C1 ZINC000095375905 218308980 /nfs/dbraw/zinc/30/89/80/218308980.db2.gz UWGRTRBCGMHPFB-GDBMZVCRSA-N 1 1 334.410 3.301 50 0 EGAAMO Cc1cc(C)nc(CN(C)C(=O)[C@@H](c2cccc(F)c2)[NH+](C)C)c1 ZINC000095386932 218319304 /nfs/dbraw/zinc/31/93/04/218319304.db2.gz VFDIYOCHZKXADY-GOSISDBHSA-N 1 1 329.419 3.099 50 0 EGAAMO C[N@H+]1CCCC[C@@H]1CCC(=O)NCc1cc(-c2ccccc2F)no1 ZINC000095385827 218317685 /nfs/dbraw/zinc/31/76/85/218317685.db2.gz FQBYJJGXSJQRMM-CQSZACIVSA-N 1 1 345.418 3.361 50 0 EGAAMO CCCn1ccnc1CN1C[C@H]2CC[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000095392010 218323739 /nfs/dbraw/zinc/32/37/39/218323739.db2.gz QSOFOPFASJUDCF-VQTJNVASSA-N 1 1 338.499 3.390 50 0 EGAAMO Cc1cc(C(=O)NCC[C@H]2CC[N@@H+](Cc3ccccc3)C2)cnc1C ZINC000097394102 219021414 /nfs/dbraw/zinc/02/14/14/219021414.db2.gz RALADMYZKBPJKV-IBGZPJMESA-N 1 1 337.467 3.340 50 0 EGAAMO C[N@H+]1CCCC[C@H]1C(=O)NCc1cc(C(F)(F)F)ccc1Cl ZINC000097492500 219029688 /nfs/dbraw/zinc/02/96/88/219029688.db2.gz JGGJARRKZJGUFN-ZDUSSCGKSA-N 1 1 334.769 3.459 50 0 EGAAMO CSc1ccc(CN(C(=O)NCCn2cc[nH+]c2C)C2CC2)cc1 ZINC000426690552 257958282 /nfs/dbraw/zinc/95/82/82/257958282.db2.gz IHDKMXWBTORDPF-UHFFFAOYSA-N 1 1 344.484 3.288 50 0 EGAAMO O=C(C[N@H+]1C[C@@H]2CC[C@H]1C2)NCc1ccc(-c2ccc(F)cc2)o1 ZINC000299770717 258083406 /nfs/dbraw/zinc/08/34/06/258083406.db2.gz QIKXRQJYZJIHKI-CJNGLKHVSA-N 1 1 328.387 3.186 50 0 EGAAMO COc1ccc(OC)c(C[NH+]2CCN(c3ccccc3OC)CC2)c1 ZINC000055543381 132195778 /nfs/dbraw/zinc/19/57/78/132195778.db2.gz XMZLNSMXWQVWPG-UHFFFAOYSA-N 1 1 342.439 3.035 50 0 EGAAMO Cc1cc(NC(=O)c2cccc(Cl)c2)ccc1NC(=O)C[NH+](C)C ZINC000345485201 164207638 /nfs/dbraw/zinc/20/76/38/164207638.db2.gz NDZOWPCVBGWXRD-UHFFFAOYSA-N 1 1 345.830 3.401 50 0 EGAAMO COc1ccccc1[C@@H]1[NH2+]Cc2cc3c(cc2-n2cccc21)OCO3 ZINC000004629046 278061185 /nfs/dbraw/zinc/06/11/85/278061185.db2.gz WEUVCKKOGHCBMV-FQEVSTJZSA-N 1 1 334.375 3.407 50 0 EGAAMO COC(=O)c1[nH]c2ccccc2c1NC(=O)C[N@@H+](C)C1CCCCC1 ZINC000000522387 452612864 /nfs/dbraw/zinc/61/28/64/452612864.db2.gz XYWLHQVSNXLWKF-UHFFFAOYSA-N 1 1 343.427 3.158 50 0 EGAAMO COc1cccc(C(=O)O[C@H](C[NH+]2CCCCC2)C(F)(F)F)c1 ZINC000001395969 452660206 /nfs/dbraw/zinc/66/02/06/452660206.db2.gz PVZSSJXCHACKJB-CQSZACIVSA-N 1 1 331.334 3.269 50 0 EGAAMO C[N@H+]1CCCN(C(=O)CCCOc2ccc(Cl)cc2Cl)CC1 ZINC000006725815 452977947 /nfs/dbraw/zinc/97/79/47/452977947.db2.gz JLPTWZUTEYJCRB-UHFFFAOYSA-N 1 1 345.270 3.317 50 0 EGAAMO C/C=C/c1ccc(OCC[N@@H+]2CCC[C@H](C(=O)OCC)C2)c(OC)c1 ZINC000006727647 452978270 /nfs/dbraw/zinc/97/82/70/452978270.db2.gz XPVNXSSVKLVVCF-PFWMLDTASA-N 1 1 347.455 3.382 50 0 EGAAMO CC(=O)OCc1ccc(C[NH+]2CCN(c3cccc(C)c3C)CC2)o1 ZINC000006814915 452994556 /nfs/dbraw/zinc/99/45/56/452994556.db2.gz QPINLKSSRCRNTN-UHFFFAOYSA-N 1 1 342.439 3.282 50 0 EGAAMO COc1ccc(C[N@H+]2CC[C@@]3(C2)CCCN(CC2CCC2)C3=O)cc1 ZINC000011813228 453335478 /nfs/dbraw/zinc/33/54/78/453335478.db2.gz AOQUATNEAKYVDK-OAQYLSRUSA-N 1 1 342.483 3.310 50 0 EGAAMO C[N@@H+](CC(=O)Nc1ccc(Br)cn1)C1CCCCC1 ZINC000013323126 453457198 /nfs/dbraw/zinc/45/71/98/453457198.db2.gz JZJDJECOWFSHOU-UHFFFAOYSA-N 1 1 326.238 3.047 50 0 EGAAMO CC(C)CC[C@@]1(CC(=O)N2CC[NH+](C)CC2)CCO[C@@H](C(C)C)C1 ZINC000013550971 453469613 /nfs/dbraw/zinc/46/96/13/453469613.db2.gz GJWCMTGDMBVCMD-UYAOXDASSA-N 1 1 338.536 3.408 50 0 EGAAMO Cc1c(C)n(Cc2ccccn2)c2nc[nH+]c(NCc3ccccn3)c12 ZINC000013724104 453484224 /nfs/dbraw/zinc/48/42/24/453484224.db2.gz HPWUZROPYRVKLD-UHFFFAOYSA-N 1 1 344.422 3.499 50 0 EGAAMO Cc1cc(C)c(C(=O)N[C@@H]2CCC[N@@H+](CCc3ccccc3)C2)o1 ZINC000014967288 453549536 /nfs/dbraw/zinc/54/95/36/453549536.db2.gz OHVWRNRDKKHIDJ-GOSISDBHSA-N 1 1 326.440 3.333 50 0 EGAAMO CC(=O)N1CCC([N@H+]2CCC[C@@H](CCc3cccc(F)c3)C2)CC1 ZINC000015071474 453555347 /nfs/dbraw/zinc/55/53/47/453555347.db2.gz QEHZRGZRUBRVSH-SFHVURJKSA-N 1 1 332.463 3.481 50 0 EGAAMO O[C@H](CSc1ccccc1)C[NH+]1CCN(c2ccccc2F)CC1 ZINC000020385069 453664556 /nfs/dbraw/zinc/66/45/56/453664556.db2.gz ORSPMHYRJHOPCP-INIZCTEOSA-N 1 1 346.471 3.101 50 0 EGAAMO Cc1noc(C)c1CCC(=O)N1CCCC[C@@H]1CCn1cc[nH+]c1C ZINC000082086607 453922238 /nfs/dbraw/zinc/92/22/38/453922238.db2.gz NNDUXTSHBJIZMT-QGZVFWFLSA-N 1 1 344.459 3.200 50 0 EGAAMO CCCc1ccc(C[N@H+]2CC[C@@H](c3ccc4c(c3)OCO4)[C@H](O)C2)o1 ZINC000067642083 453952128 /nfs/dbraw/zinc/95/21/28/453952128.db2.gz IROQPQXHYWOFMO-ZWKOTPCHSA-N 1 1 343.423 3.311 50 0 EGAAMO C[NH+](C)Cc1ccc(C(=O)N2CCO[C@H](c3ccc(Cl)cc3)C2)o1 ZINC000067818122 453969161 /nfs/dbraw/zinc/96/91/61/453969161.db2.gz UABIJKUSHQJGRL-KRWDZBQOSA-N 1 1 348.830 3.208 50 0 EGAAMO CCC1=C[C@@H]2C[N@H+]3CCc4c5ccccc5[nH]c4[C@@](C(=O)OC)(C2)[C@@H]13 ZINC000057297068 454119280 /nfs/dbraw/zinc/11/92/80/454119280.db2.gz CMKFQVZJOWHHDV-NQZBTDCJSA-N 1 1 336.435 3.175 50 0 biogenic,investigational EGAAMO Cc1[nH+]ccn1CC[C@H]1CCCCN1Cc1nc(C(F)(F)F)no1 ZINC000077541421 454119626 /nfs/dbraw/zinc/11/96/26/454119626.db2.gz TVGUTFVDZHCSRO-GFCCVEGCSA-N 1 1 343.353 3.038 50 0 EGAAMO CC(C)(C)c1nc(C[NH+]2CCC(c3ccnn3CCO)CC2)cs1 ZINC000058296418 454181757 /nfs/dbraw/zinc/18/17/57/454181757.db2.gz UQMCAQVUPNRULM-UHFFFAOYSA-N 1 1 348.516 3.009 50 0 EGAAMO COc1ccc(CN2CCC[N@@H+](CC3CC3)[C@H](C(C)C)C2)cc1O ZINC000071774719 454218177 /nfs/dbraw/zinc/21/81/77/454218177.db2.gz LPKQHJZJPXKNMY-SFHVURJKSA-N 1 1 332.488 3.343 50 0 EGAAMO O=C(COc1coc(C[NH+]2CCCCCC2)cc1=O)c1ccccc1 ZINC000095480260 454220929 /nfs/dbraw/zinc/22/09/29/454220929.db2.gz BIPVYIUJKUMMJL-UHFFFAOYSA-N 1 1 341.407 3.278 50 0 EGAAMO C[C@@H](O)c1cccc(N2CCC[N@@H+](CCCc3ccccc3)CC2)n1 ZINC000095508901 454225213 /nfs/dbraw/zinc/22/52/13/454225213.db2.gz PEOOWHNEHHTOAK-GOSISDBHSA-N 1 1 339.483 3.280 50 0 EGAAMO O=C1[C@H]2CC[C@H](C[N@H+](C3CCCCCC3)C2)N1Cc1cscn1 ZINC000095509718 454225361 /nfs/dbraw/zinc/22/53/61/454225361.db2.gz SOEYIGZMGKGGAB-WMLDXEAASA-N 1 1 333.501 3.289 50 0 EGAAMO Cc1ccnc(N2CCC(c3[nH+]ccn3Cc3ccccc3)CC2)n1 ZINC000095517296 454226367 /nfs/dbraw/zinc/22/63/67/454226367.db2.gz WMMQCWBUVAWKEA-UHFFFAOYSA-N 1 1 333.439 3.414 50 0 EGAAMO COc1c(C)cnc(C[N@H+]2CCCC[C@H]2CCN2CCCC2=O)c1C ZINC000072156582 454272917 /nfs/dbraw/zinc/27/29/17/454272917.db2.gz IELRRRFHEJYPQW-KRWDZBQOSA-N 1 1 345.487 3.074 50 0 EGAAMO CCCOc1ccc(-c2cccc(C[NH+]3CCOCC3)c2)cc1CO ZINC000096130860 454289559 /nfs/dbraw/zinc/28/95/59/454289559.db2.gz SYQUPAFYRTVPQW-UHFFFAOYSA-N 1 1 341.451 3.467 50 0 EGAAMO C[C@]1(O)CC[N@@H+](Cc2ccc(-c3ccc(Cl)cc3)cc2)C[C@@H]1O ZINC000096166758 454296750 /nfs/dbraw/zinc/29/67/50/454296750.db2.gz HFJKZOLEEOUWKK-OALUTQOASA-N 1 1 331.843 3.325 50 0 EGAAMO Cc1ccc(C)c(C[N@H+]2C[C@H]3CC[C@@H]2CN(C(=O)c2cccnc2)C3)c1 ZINC000091325934 454427263 /nfs/dbraw/zinc/42/72/63/454427263.db2.gz AMNZDMCYGZTLQI-WIYYLYMNSA-N 1 1 349.478 3.435 50 0 EGAAMO Fc1cnccc1N1CCC[C@H](c2[nH+]ccn2Cc2cccnc2)C1 ZINC000091575463 454446518 /nfs/dbraw/zinc/44/65/18/454446518.db2.gz NOFHIAROIFPHMA-INIZCTEOSA-N 1 1 337.402 3.245 50 0 EGAAMO C[NH+]1CCN(C(=S)c2ccc(N3Cc4ccccc4C3)cc2)CC1 ZINC000101183310 454469764 /nfs/dbraw/zinc/46/97/64/454469764.db2.gz OWUUATMVZMHSMM-UHFFFAOYSA-N 1 1 337.492 3.130 50 0 EGAAMO CCn1ccnc1[C@H]1CCC[N@@H+](CCC(=O)NC2CCCCCC2)C1 ZINC000092022524 454505523 /nfs/dbraw/zinc/50/55/23/454505523.db2.gz SITFRXFZFWXIBF-KRWDZBQOSA-N 1 1 346.519 3.312 50 0 EGAAMO CCCc1nc(C(=O)N[C@H](C)C[N@H+]2CCc3ccccc3C2)cs1 ZINC000092081671 454518574 /nfs/dbraw/zinc/51/85/74/454518574.db2.gz GBAREUWYHLTBIJ-CQSZACIVSA-N 1 1 343.496 3.272 50 0 EGAAMO COc1cccc(C(=O)NCC2=CC[N@H+]([C@H]3C=CCCC3)CC2)c1 ZINC000065410719 454563199 /nfs/dbraw/zinc/56/31/99/454563199.db2.gz MIILZKKBXJDJQP-SFHVURJKSA-N 1 1 326.440 3.166 50 0 EGAAMO Cc1nnc(CN2CCC[N@@H+](Cc3ccc(F)cc3)[C@@H](C(C)C)C2)o1 ZINC000107019744 454736791 /nfs/dbraw/zinc/73/67/91/454736791.db2.gz KDGBUCKXRPQKHU-GOSISDBHSA-N 1 1 346.450 3.250 50 0 EGAAMO C[C@]12CC[N@H+](Cc3ncn(-c4ccccc4)n3)C[C@H]1C2(Cl)Cl ZINC000284805741 455744804 /nfs/dbraw/zinc/74/48/04/455744804.db2.gz OWVNMAMFHACGCD-HIFRSBDPSA-N 1 1 337.254 3.283 50 0 EGAAMO C[C@]12CC[N@@H+](Cc3ncn(-c4ccccc4)n3)C[C@H]1C2(Cl)Cl ZINC000284805741 455744807 /nfs/dbraw/zinc/74/48/07/455744807.db2.gz OWVNMAMFHACGCD-HIFRSBDPSA-N 1 1 337.254 3.283 50 0 EGAAMO CCSc1ncc(CN(C)C[C@H]2Cc3ccccc3C[N@H+]2C)cn1 ZINC000216070911 456028421 /nfs/dbraw/zinc/02/84/21/456028421.db2.gz DYLRPTHZVIDULR-GOSISDBHSA-N 1 1 342.512 3.077 50 0 EGAAMO COc1ccc(C[N@H+]2CCc3ccccc3C2)cc1Cn1cccn1 ZINC000222436847 456047112 /nfs/dbraw/zinc/04/71/12/456047112.db2.gz VIQOKAJSBMOBQR-UHFFFAOYSA-N 1 1 333.435 3.498 50 0 EGAAMO CO[C@@H]1CC[C@@]2(OC)CC[N@@H+](Cc3cccc(-n4cccn4)c3)[C@H]2C1 ZINC000426415673 457827196 /nfs/dbraw/zinc/82/71/96/457827196.db2.gz UXKVRNWLSXOAKX-HSALFYBXSA-N 1 1 341.455 3.031 50 0 EGAAMO CN(Cc1ccoc1)C(=O)NCC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000426444575 457831669 /nfs/dbraw/zinc/83/16/69/457831669.db2.gz MAGAZMDJKDAPGP-SFHVURJKSA-N 1 1 341.455 3.333 50 0 EGAAMO CC(C)(C)c1cc(CNC(=O)c2cccc(-c3c[nH+]ccc3N)c2)n[nH]1 ZINC000426489918 457842425 /nfs/dbraw/zinc/84/24/25/457842425.db2.gz ORQLZLXHHZEBBD-UHFFFAOYSA-N 1 1 349.438 3.112 50 0 EGAAMO C[C@@H]1CCCC[N@H+]1CCN(C)C(=O)NCCc1c[nH]c2ccccc12 ZINC000426503153 457844419 /nfs/dbraw/zinc/84/44/19/457844419.db2.gz WXOHXYUPORHNJS-MRXNPFEDSA-N 1 1 342.487 3.226 50 0 EGAAMO C[C@@H]1CCCC[N@H+]1C1CN(C(=O)NCCSCc2ccccc2)C1 ZINC000534629729 459338910 /nfs/dbraw/zinc/33/89/10/459338910.db2.gz IHXMRJAEHVZXGJ-MRXNPFEDSA-N 1 1 347.528 3.188 50 0 EGAAMO C[C@@H](c1ccccn1)[N@H+](C)Cc1cccc(C(=O)Nc2nccn2C)c1 ZINC000067910209 472108842 /nfs/dbraw/zinc/10/88/42/472108842.db2.gz HTXNZLZFPBZKIH-HNNXBMFYSA-N 1 1 349.438 3.260 50 0 EGAAMO C[C@@H](c1ccccn1)[N@@H+](C)Cc1cccc(C(=O)Nc2nccn2C)c1 ZINC000067910209 472108846 /nfs/dbraw/zinc/10/88/46/472108846.db2.gz HTXNZLZFPBZKIH-HNNXBMFYSA-N 1 1 349.438 3.260 50 0 EGAAMO CC(C)(C)c1cc(C[N@H+]2CCC[C@@H](c3nnc4ccccn43)C2)[nH]n1 ZINC000215976417 535105412 /nfs/dbraw/zinc/10/54/12/535105412.db2.gz OILNPULZSGFVEJ-CQSZACIVSA-N 1 1 338.459 3.130 50 0 EGAAMO COc1cc(C)sc1C(=O)NCC[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC000216250339 536707434 /nfs/dbraw/zinc/70/74/34/536707434.db2.gz KGNZCIIWIPBLCB-MRXNPFEDSA-N 1 1 344.480 3.284 50 0 EGAAMO COc1cccc(-c2ncc(C[N@H+](C)Cc3cnn(C)c3C)s2)c1 ZINC000215915547 537069936 /nfs/dbraw/zinc/06/99/36/537069936.db2.gz JNXVKYOOPDQNAG-UHFFFAOYSA-N 1 1 342.468 3.493 50 0 EGAAMO COc1cccc(-c2ncc(C[N@@H+](C)Cc3cnn(C)c3C)s2)c1 ZINC000215915547 537069939 /nfs/dbraw/zinc/06/99/39/537069939.db2.gz JNXVKYOOPDQNAG-UHFFFAOYSA-N 1 1 342.468 3.493 50 0 EGAAMO Cc1nc2cc(C(=O)N(C)Cc3ccc4c(c3)C[N@H+](C)C4)ccc2[nH]1 ZINC000584889528 548098974 /nfs/dbraw/zinc/09/89/74/548098974.db2.gz JYFSZUKLZAHWOE-UHFFFAOYSA-N 1 1 334.423 3.089 50 0 EGAAMO COCc1nc([C@@H]2CCCCC[N@@H+]2C)n(CCc2ccccc2)n1 ZINC000670470438 548221716 /nfs/dbraw/zinc/22/17/16/548221716.db2.gz YHPXYAWTTLCTRZ-KRWDZBQOSA-N 1 1 328.460 3.214 50 0 EGAAMO COCc1nc([C@@H]2CCCCC[N@H+]2C)n(CCc2ccccc2)n1 ZINC000670470438 548221720 /nfs/dbraw/zinc/22/17/20/548221720.db2.gz YHPXYAWTTLCTRZ-KRWDZBQOSA-N 1 1 328.460 3.214 50 0 EGAAMO CCc1ncc(C[NH2+][C@H](C)c2cnc(-c3ccncc3)nc2C)cn1 ZINC000015076867 1291145464 /nfs/dbraw/zinc/14/54/64/1291145464.db2.gz JZPRICXJPIRKBK-CYBMUJFWSA-N 1 1 334.427 3.050 50 0 EGAAMO CC[N@@H+](Cc1ccncc1)[C@@H]1CCCN(Cc2nc3ccccc3[nH]2)C1 ZINC000022910548 1291227584 /nfs/dbraw/zinc/22/75/84/1291227584.db2.gz ITNQRXYRPNWQJM-GOSISDBHSA-N 1 1 349.482 3.444 50 0 EGAAMO CC(C)c1csc(C(=O)NCC[N@H+]2CC[C@@H](c3ccccc3)C2)n1 ZINC000828231619 1292444606 /nfs/dbraw/zinc/44/46/06/1292444606.db2.gz XUKZUCSWUSZXNK-MRXNPFEDSA-N 1 1 343.496 3.486 50 0 EGAAMO O=c1ccc(C2CC2)nn1CC1CCN(c2cc[nH+]cc2Cl)CC1 ZINC000585503035 1298040845 /nfs/dbraw/zinc/04/08/45/1298040845.db2.gz RJSZAEXIFOLPBR-UHFFFAOYSA-N 1 1 344.846 3.086 50 0 EGAAMO CCC(=O)Nc1cc(NC(=O)[C@]2(C)CCC[N@H+](CC)C2)ccc1C ZINC000823109881 1320155752 /nfs/dbraw/zinc/15/57/52/1320155752.db2.gz KJEQBFPGMJMWNU-LJQANCHMSA-N 1 1 331.460 3.404 50 0 EGAAMO CC[C@H]1C=CC[N@@H+]1Cc1cc(C)cc(CN2CCN(C)CC2)c1C ZINC000952964752 1334626016 /nfs/dbraw/zinc/62/60/16/1334626016.db2.gz QIWQBFDZLJHATC-NRFANRHFSA-N 1 1 327.516 3.201 50 0 EGAAMO CC[C@H]1C=CC[N@H+]1Cc1cc(C)cc(CN2CCN(C)CC2)c1C ZINC000952964752 1334626018 /nfs/dbraw/zinc/62/60/18/1334626018.db2.gz QIWQBFDZLJHATC-NRFANRHFSA-N 1 1 327.516 3.201 50 0 EGAAMO Cc1c[nH+]ccc1NCCNCc1nc(-c2ccc(F)cc2)cs1 ZINC000952970386 1334626776 /nfs/dbraw/zinc/62/67/76/1334626776.db2.gz RNFNGNHLDSIQHU-UHFFFAOYSA-N 1 1 342.443 3.276 50 0 EGAAMO COCCN(Cc1ccsc1)C(=O)[C@H](c1ccc(C)cc1)[NH+](C)C ZINC000952976625 1334628661 /nfs/dbraw/zinc/62/86/61/1334628661.db2.gz NPUYSGNCCCINHO-SFHVURJKSA-N 1 1 346.496 3.334 50 0 EGAAMO Cc1nc(C[N@@H+]2C[C@H]3[C@@H](C2)CCC[C@]3(O)c2ccccc2)n(C)c1C ZINC001704297586 1416432885 /nfs/dbraw/zinc/43/28/85/1416432885.db2.gz COXWWZJSPZMKFS-LMNJBCLMSA-N 1 1 339.483 3.157 50 0 EGAAMO CO[C@@H]1CCC[C@]12CCCN(C(=O)C[N@H+](C)Cc1ccc(C)cc1)C2 ZINC001704299451 1416432968 /nfs/dbraw/zinc/43/29/68/1416432968.db2.gz PXLZRRAWFPXGEP-TZIWHRDSSA-N 1 1 344.499 3.235 50 0 EGAAMO CO[C@@H]1CCC[C@]12CCCN(C(=O)C[N@@H+](C)Cc1ccc(C)cc1)C2 ZINC001704299451 1416432970 /nfs/dbraw/zinc/43/29/70/1416432970.db2.gz PXLZRRAWFPXGEP-TZIWHRDSSA-N 1 1 344.499 3.235 50 0 EGAAMO C[N@H+](Cc1cc2cc(F)ccc2[nH]1)Cc1cc(=O)n2ccsc2n1 ZINC001704352743 1416453367 /nfs/dbraw/zinc/45/33/67/1416453367.db2.gz IDFUHEDJVWDZLX-UHFFFAOYSA-N 1 1 342.399 3.008 50 0 EGAAMO C[N@@H+](Cc1cc2cc(F)ccc2[nH]1)Cc1cc(=O)n2ccsc2n1 ZINC001704352743 1416453369 /nfs/dbraw/zinc/45/33/69/1416453369.db2.gz IDFUHEDJVWDZLX-UHFFFAOYSA-N 1 1 342.399 3.008 50 0 EGAAMO Cc1ccsc1C[N@@H+](Cc1cccc(OCC(N)=O)c1)C1CC1 ZINC001704353643 1416453843 /nfs/dbraw/zinc/45/38/43/1416453843.db2.gz GXNQINJUNFOIBQ-UHFFFAOYSA-N 1 1 330.453 3.085 50 0 EGAAMO CCCc1ccc(C[N@@H+]2CCCN(C(=O)C3(COC)CCC3)CC2)o1 ZINC001704354962 1416454142 /nfs/dbraw/zinc/45/41/42/1416454142.db2.gz JMGLXKRHWCRDTP-UHFFFAOYSA-N 1 1 348.487 3.083 50 0 EGAAMO CCCc1ccc(C[N@H+]2CCCN(C(=O)C3(COC)CCC3)CC2)o1 ZINC001704354962 1416454146 /nfs/dbraw/zinc/45/41/46/1416454146.db2.gz JMGLXKRHWCRDTP-UHFFFAOYSA-N 1 1 348.487 3.083 50 0 EGAAMO CCSC[C@H](C)[N@H+]1CCCN(C(=O)c2ccc3[nH]ccc3c2)CC1 ZINC001772812526 1441417589 /nfs/dbraw/zinc/41/75/89/1441417589.db2.gz LDWJEVVJQZKYJL-HNNXBMFYSA-N 1 1 345.512 3.457 50 0 EGAAMO CCc1ccc(C[NH+]2CCN(C(=O)c3ccc(OC)cc3)CC2)cc1 ZINC000019522887 202009781 /nfs/dbraw/zinc/00/97/81/202009781.db2.gz VWESMMJRXAXGDY-UHFFFAOYSA-N 1 1 338.451 3.216 50 0 EGAAMO Cc1ccc(OCC(=O)N2CC[NH+](Cc3ccccc3C)CC2)cc1 ZINC000019789915 202020460 /nfs/dbraw/zinc/02/04/60/202020460.db2.gz CMLDSNWOZOWKHS-UHFFFAOYSA-N 1 1 338.451 3.027 50 0 EGAAMO Cc1ccc(O[C@H](C)C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000020568001 202048797 /nfs/dbraw/zinc/04/87/97/202048797.db2.gz UOSKCWOBFONTAO-GOSISDBHSA-N 1 1 338.451 3.107 50 0 EGAAMO C[N@H+]1CCC[C@H](c2cc(=O)[nH]c(-c3ccccc3C(F)(F)F)n2)C1 ZINC000023428689 202104360 /nfs/dbraw/zinc/10/43/60/202104360.db2.gz UYHPOVCWRXGCMR-NSHDSACASA-N 1 1 337.345 3.265 50 0 EGAAMO COc1ccc(C[N@@H+]2CCc3cc(OC)c(OC)cc3C2)cc1OC ZINC000004990257 201056490 /nfs/dbraw/zinc/05/64/90/201056490.db2.gz YDCQKNFVLHDJKY-UHFFFAOYSA-N 1 1 343.423 3.279 50 0 EGAAMO COc1ccc(C[N@H+]2CCc3cc(OC)c(OC)cc3C2)cc1OC ZINC000004990257 201056492 /nfs/dbraw/zinc/05/64/92/201056492.db2.gz YDCQKNFVLHDJKY-UHFFFAOYSA-N 1 1 343.423 3.279 50 0 EGAAMO c1cc(-c2noc(C[N@H+]3CC[C@H](CNc4ccccn4)C3)n2)cs1 ZINC000065462960 201154366 /nfs/dbraw/zinc/15/43/66/201154366.db2.gz UCRLQAPERHBFCX-CYBMUJFWSA-N 1 1 341.440 3.127 50 0 EGAAMO c1cc(-c2noc(C[N@@H+]3CC[C@H](CNc4ccccn4)C3)n2)cs1 ZINC000065462960 201154369 /nfs/dbraw/zinc/15/43/69/201154369.db2.gz UCRLQAPERHBFCX-CYBMUJFWSA-N 1 1 341.440 3.127 50 0 EGAAMO COCCc1noc([C@H]2CCC[N@@H+](Cc3cccc4[nH]ccc43)C2)n1 ZINC000214989290 241100571 /nfs/dbraw/zinc/10/05/71/241100571.db2.gz ZJAPEJZVULGHRS-HNNXBMFYSA-N 1 1 340.427 3.119 50 0 EGAAMO Cc1nc(CN2CC[NH+](Cc3ccnc4ccccc34)CC2)cs1 ZINC000215222134 241114859 /nfs/dbraw/zinc/11/48/59/241114859.db2.gz UBFBVGWUYDIGTF-UHFFFAOYSA-N 1 1 338.480 3.318 50 0 EGAAMO Clc1cccc2ccc(C[N@H+]3CCC[C@H](c4nnc[nH]4)C3)nc12 ZINC000216123870 241168950 /nfs/dbraw/zinc/16/89/50/241168950.db2.gz CEQUYFIMAGMXEJ-ZDUSSCGKSA-N 1 1 327.819 3.386 50 0 EGAAMO CCn1nc(C)c(C[N@H+]2CCC[C@H](C(=O)c3ccccn3)C2)c1C ZINC000216291539 241180128 /nfs/dbraw/zinc/18/01/28/241180128.db2.gz YKUYXOXMHJSLCD-INIZCTEOSA-N 1 1 326.444 3.010 50 0 EGAAMO Cc1[nH]c2c(cccc2C[N@H+](CCN(C)C)C[C@H]2CCCO2)c1C ZINC000215518499 241131356 /nfs/dbraw/zinc/13/13/56/241131356.db2.gz ZMGWVVVEJILUBX-GOSISDBHSA-N 1 1 329.488 3.327 50 0 EGAAMO Cc1[nH]c2c(cccc2C[N@@H+](CCN(C)C)C[C@H]2CCCO2)c1C ZINC000215518499 241131360 /nfs/dbraw/zinc/13/13/60/241131360.db2.gz ZMGWVVVEJILUBX-GOSISDBHSA-N 1 1 329.488 3.327 50 0 EGAAMO c1cnn(Cc2ccc(C[N@H+]3CCCC[C@H]3CN3CCCC3)cc2)c1 ZINC000215570439 241134041 /nfs/dbraw/zinc/13/40/41/241134041.db2.gz XXQXERPZJRMMIF-NRFANRHFSA-N 1 1 338.499 3.382 50 0 EGAAMO c1cnn(Cc2ccc(C[N@@H+]3CCCC[C@H]3CN3CCCC3)cc2)c1 ZINC000215570439 241134045 /nfs/dbraw/zinc/13/40/45/241134045.db2.gz XXQXERPZJRMMIF-NRFANRHFSA-N 1 1 338.499 3.382 50 0 EGAAMO C[C@H]1CCCC[N@H+]1C1CN(Cc2nn(C)c3cccc(Cl)c23)C1 ZINC000243893819 243029060 /nfs/dbraw/zinc/02/90/60/243029060.db2.gz AUOFIINTDPBJFJ-ZDUSSCGKSA-N 1 1 332.879 3.285 50 0 EGAAMO Cc1ccc(CNC(=O)CC[N@@H+](C)Cc2cc(C(C)C)on2)cc1 ZINC000244633297 243047367 /nfs/dbraw/zinc/04/73/67/243047367.db2.gz GAPNPQQLMQCAKX-UHFFFAOYSA-N 1 1 329.444 3.245 50 0 EGAAMO Cc1ccc(CNC(=O)CC[N@H+](C)Cc2cc(C(C)C)on2)cc1 ZINC000244633297 243047372 /nfs/dbraw/zinc/04/73/72/243047372.db2.gz GAPNPQQLMQCAKX-UHFFFAOYSA-N 1 1 329.444 3.245 50 0 EGAAMO CCCO[C@H]1CCC[N@@H+](CCC(=O)NCc2cccc(Cl)c2)C1 ZINC000244748585 243075965 /nfs/dbraw/zinc/07/59/65/243075965.db2.gz OKFPHJRZUOJUHJ-KRWDZBQOSA-N 1 1 338.879 3.237 50 0 EGAAMO CSc1ccc2c(c1)CCN(C(=O)CC[N@H+]1C[C@@H]3CC[C@H]1C3)C2 ZINC000244811775 243085804 /nfs/dbraw/zinc/08/58/04/243085804.db2.gz SKZYXQCNMGFFSX-PBHICJAKSA-N 1 1 330.497 3.168 50 0 EGAAMO Cc1ccc(-c2ccnc(NCC[N@@H+]3CCC[C@@H](C)C3)n2)c(C)n1 ZINC000071750038 203107098 /nfs/dbraw/zinc/10/70/98/203107098.db2.gz ZSHZRPRJAUWARM-CQSZACIVSA-N 1 1 325.460 3.299 50 0 EGAAMO CCc1[nH+]ccn1CCC(=O)N1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000071759866 203108821 /nfs/dbraw/zinc/10/88/21/203108821.db2.gz LUOXRZXUZHHTNT-MRXNPFEDSA-N 1 1 347.846 3.089 50 0 EGAAMO Cn1c2ccccc2cc(C[N@@H+](C)Cc2ccc(Cl)nc2)c1=O ZINC000071763694 203110651 /nfs/dbraw/zinc/11/06/51/203110651.db2.gz AQNDYPMFBDAQPZ-UHFFFAOYSA-N 1 1 327.815 3.219 50 0 EGAAMO Cc1cccnc1N1CC[NH+](Cc2cc3cc(F)ccc3n2C)CC1 ZINC000072145703 203169096 /nfs/dbraw/zinc/16/90/96/203169096.db2.gz LOMLJSLCDDZECD-UHFFFAOYSA-N 1 1 338.430 3.343 50 0 EGAAMO CC(=O)Nc1ccc(C[NH+]2CCN(c3ccccc3F)CC2)cc1 ZINC000071930765 203153280 /nfs/dbraw/zinc/15/32/80/203153280.db2.gz WRWWORCRRJLURU-UHFFFAOYSA-N 1 1 327.403 3.106 50 0 EGAAMO CC[N@H+]1CCC[C@@H](CN2CCN(Cc3cccc(Cl)c3)CC2)C1 ZINC000072149697 203171753 /nfs/dbraw/zinc/17/17/53/203171753.db2.gz ORXMEANPXGQKLC-GOSISDBHSA-N 1 1 335.923 3.190 50 0 EGAAMO Cc1nc(CN2CCC[N@H+](Cc3cccs3)CC2)c2ccccn12 ZINC000072165068 203178622 /nfs/dbraw/zinc/17/86/22/203178622.db2.gz MKXVEQWNLCNVGG-UHFFFAOYSA-N 1 1 340.496 3.412 50 0 EGAAMO Cc1nc(CN2CCC[N@@H+](Cc3cccs3)CC2)c2ccccn12 ZINC000072165068 203178626 /nfs/dbraw/zinc/17/86/26/203178626.db2.gz MKXVEQWNLCNVGG-UHFFFAOYSA-N 1 1 340.496 3.412 50 0 EGAAMO COC(=O)c1cc(CN2CCC(C3CC[NH+](C)CC3)CC2)cs1 ZINC000072169098 203181502 /nfs/dbraw/zinc/18/15/02/203181502.db2.gz LWUQBUGYAJLSPE-UHFFFAOYSA-N 1 1 336.501 3.089 50 0 EGAAMO COc1ccccc1[C@H]1C[N@@H+](Cc2ccco2)[C@H]2[C@@H]1N1CCC2CC1 ZINC000072172575 203182988 /nfs/dbraw/zinc/18/29/88/203182988.db2.gz SQCOBLHKOOLGCJ-HMXCVIKNSA-N 1 1 338.451 3.350 50 0 EGAAMO O=C1CC[C@H]2C[N@H+](Cc3ncc[nH]3)CC[C@H]2N1CCC1=CCCCC1 ZINC000072453742 203226648 /nfs/dbraw/zinc/22/66/48/203226648.db2.gz OTCBBATVNQTQBM-ZWKOTPCHSA-N 1 1 342.487 3.113 50 0 EGAAMO O=C1CC[C@H]2C[N@@H+](Cc3ncc[nH]3)CC[C@H]2N1CCC1=CCCCC1 ZINC000072453742 203226652 /nfs/dbraw/zinc/22/66/52/203226652.db2.gz OTCBBATVNQTQBM-ZWKOTPCHSA-N 1 1 342.487 3.113 50 0 EGAAMO CN(C)C(=O)c1ccc(N[C@@H]2CCC[N@@H+](CC3CCCCC3)C2)nc1 ZINC000072475481 203230761 /nfs/dbraw/zinc/23/07/61/203230761.db2.gz FMOAMNGSEDWELT-GOSISDBHSA-N 1 1 344.503 3.240 50 0 EGAAMO Cc1cc(C[N@H+]2CCCC23CCN(c2cccc(C)n2)CC3)on1 ZINC000072480739 203233473 /nfs/dbraw/zinc/23/34/73/203233473.db2.gz OLJVDZVVKRJOFC-UHFFFAOYSA-N 1 1 326.444 3.321 50 0 EGAAMO Cc1[nH+]ccn1C1(C(=O)[O-])CC[NH+](Cc2ccc(C)c(F)c2C)CC1 ZINC000072427267 203221554 /nfs/dbraw/zinc/22/15/54/203221554.db2.gz JJOLGBUWUQMFCE-UHFFFAOYSA-N 1 1 345.418 3.023 50 0 EGAAMO CCC[N@H+]1CC2(C[C@@H]1C(=O)[O-])CC[NH+](Cc1cccc(C)c1)CC2 ZINC000072429795 203223199 /nfs/dbraw/zinc/22/31/99/203223199.db2.gz SEHGMMCBILQDTQ-GOSISDBHSA-N 1 1 330.472 3.146 50 0 EGAAMO O=C(c1cocn1)N1CCC[C@]2(CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000072430312 203223246 /nfs/dbraw/zinc/22/32/46/203223246.db2.gz PJXTUDPPFWGIKO-FQEVSTJZSA-N 1 1 339.439 3.193 50 0 EGAAMO CC(C)n1ccnc1C[N@@H+]1CCC[C@@]2(CCC(=O)N(CC3CC3)C2)C1 ZINC000077355416 203382157 /nfs/dbraw/zinc/38/21/57/203382157.db2.gz FWVJENOPAMVBCU-HXUWFJFHSA-N 1 1 344.503 3.079 50 0 EGAAMO CC(C)n1ccnc1C[N@H+]1CCC[C@@]2(CCC(=O)N(CC3CC3)C2)C1 ZINC000077355416 203382159 /nfs/dbraw/zinc/38/21/59/203382159.db2.gz FWVJENOPAMVBCU-HXUWFJFHSA-N 1 1 344.503 3.079 50 0 EGAAMO CCc1nc2c(ncnc2N2CCC[N@H+](C3CCCCC3)CC2)o1 ZINC000077505314 203392247 /nfs/dbraw/zinc/39/22/47/203392247.db2.gz IPVCVEHXDPVUQO-UHFFFAOYSA-N 1 1 329.448 3.025 50 0 EGAAMO Cc1[nH+]ccn1CCCNC(=O)c1cc(C)nc2c(C)c(C)ccc12 ZINC000077522412 203393591 /nfs/dbraw/zinc/39/35/91/203393591.db2.gz ZHWACRQYAAAQDK-UHFFFAOYSA-N 1 1 336.439 3.485 50 0 EGAAMO COc1ccc(F)c(C[N@H+]2CCC[C@@]3(CCC(=O)N(C4CC4)C3)C2)c1 ZINC000077540941 203394509 /nfs/dbraw/zinc/39/45/09/203394509.db2.gz MLELYZQUPDICFW-HXUWFJFHSA-N 1 1 346.446 3.201 50 0 EGAAMO Cc1ccccc1-n1cc(CN(C)C(=O)[C@H]2CCCCC[N@H+]2C)cn1 ZINC000091452423 218008767 /nfs/dbraw/zinc/00/87/67/218008767.db2.gz UFEFLETUCLQNQA-LJQANCHMSA-N 1 1 340.471 3.014 50 0 EGAAMO Cc1cc(O)ccc1C(=O)NCC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000299801408 258104406 /nfs/dbraw/zinc/10/44/06/258104406.db2.gz YHXOIMDQZDEROR-SFHVURJKSA-N 1 1 338.451 3.343 50 0 EGAAMO CCc1[nH+]ccn1CC1(CNC(=O)c2ccc(SC)cc2)CC1 ZINC000299802933 258105581 /nfs/dbraw/zinc/10/55/81/258105581.db2.gz YPBBGKSMGOSRKA-UHFFFAOYSA-N 1 1 329.469 3.378 50 0 EGAAMO COc1ccc(-c2n[nH]cc2C[N@@H+](C)Cc2cccnc2)c(OC)c1 ZINC000013593163 258056055 /nfs/dbraw/zinc/05/60/55/258056055.db2.gz ZQLBQTKVTNKNFU-UHFFFAOYSA-N 1 1 338.411 3.121 50 0 EGAAMO COc1cccc(C[NH+]2CCN(c3ccccc3C)CC2)c1OC ZINC000055543239 132195624 /nfs/dbraw/zinc/19/56/24/132195624.db2.gz AORIGTNSZTXYQP-UHFFFAOYSA-N 1 1 326.440 3.334 50 0 EGAAMO CN(Cc1ccoc1)C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000339866289 155008548 /nfs/dbraw/zinc/00/85/48/155008548.db2.gz IRDHDLCHULRGFS-SFHVURJKSA-N 1 1 327.428 3.086 50 0 EGAAMO C[C@H](NC(=O)CC[N@H+]1CCCC2(CCOCC2)C1)c1ccccc1 ZINC000244724210 455276021 /nfs/dbraw/zinc/27/60/21/455276021.db2.gz MPZKQSYBBCSTBP-KRWDZBQOSA-N 1 1 330.472 3.147 50 0 EGAAMO CCCc1ccc(OC[C@H](O)C[N@H+]2CCc3ccccc3C2)cc1 ZINC000000472479 452602919 /nfs/dbraw/zinc/60/29/19/452602919.db2.gz AWEXCMREMRVOFW-HXUWFJFHSA-N 1 1 325.452 3.437 50 0 EGAAMO COc1ccc(C[NH2+]CC(=O)Nc2ccc(Cl)cc2)c(OC)c1 ZINC000002521019 452702026 /nfs/dbraw/zinc/70/20/26/452702026.db2.gz SRNOHVKFJQSIJT-UHFFFAOYSA-N 1 1 334.803 3.086 50 0 EGAAMO C[C@@H]1CCC[C@H](C)[N@@H+]1C[C@H](O)COc1ccccc1Br ZINC000004018231 452791312 /nfs/dbraw/zinc/79/13/12/452791312.db2.gz BPHYNPKPWOFXDN-MJBXVCDLSA-N 1 1 342.277 3.452 50 0 EGAAMO COc1ccc(CC[N@@H+](C)Cc2ccc(OC)c(OC)c2)cc1OC ZINC000004948287 452828069 /nfs/dbraw/zinc/82/80/69/452828069.db2.gz NWECRWDWFXJDNE-UHFFFAOYSA-N 1 1 345.439 3.396 50 0 EGAAMO CC[NH+](CC)Cc1nc2ccccc2c(=O)n1-c1ccc(F)cc1 ZINC000005063417 452834119 /nfs/dbraw/zinc/83/41/19/452834119.db2.gz QCNOMLCPIMRENW-UHFFFAOYSA-N 1 1 325.387 3.367 50 0 EGAAMO COc1ccc(C[N@H+]2CC[C@]3(C2)CCCN(CC2CCC2)C3=O)cc1 ZINC000011813229 453335773 /nfs/dbraw/zinc/33/57/73/453335773.db2.gz AOQUATNEAKYVDK-NRFANRHFSA-N 1 1 342.483 3.310 50 0 EGAAMO COc1ccc(-c2noc(C[N@H+](C)CC[C@H]3CCCCO3)n2)cc1 ZINC000011949040 453341075 /nfs/dbraw/zinc/34/10/75/453341075.db2.gz UMEXASRKXFGCSB-MRXNPFEDSA-N 1 1 331.416 3.136 50 0 EGAAMO COc1ccc(-c2noc(C[N@@H+](C)CC[C@H]3CCCCO3)n2)cc1 ZINC000011949040 453341084 /nfs/dbraw/zinc/34/10/84/453341084.db2.gz UMEXASRKXFGCSB-MRXNPFEDSA-N 1 1 331.416 3.136 50 0 EGAAMO CSCC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(CC(C)C)cc2)C1 ZINC000012478943 453364107 /nfs/dbraw/zinc/36/41/07/453364107.db2.gz DZKAPZSOTQIKMB-GOSISDBHSA-N 1 1 334.529 3.329 50 0 EGAAMO COc1ccc(C(=O)[C@H]2CCC[N@H+](Cc3cccnc3)C2)cc1OC ZINC000012448587 453365373 /nfs/dbraw/zinc/36/53/73/453365373.db2.gz JIAIMUNFTBVBDP-KRWDZBQOSA-N 1 1 340.423 3.194 50 0 EGAAMO COc1ccc(C(=O)[C@H]2CCC[N@@H+](Cc3cccnc3)C2)cc1OC ZINC000012448587 453365384 /nfs/dbraw/zinc/36/53/84/453365384.db2.gz JIAIMUNFTBVBDP-KRWDZBQOSA-N 1 1 340.423 3.194 50 0 EGAAMO CC[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(OC)c(OC)c1 ZINC000013647220 453478721 /nfs/dbraw/zinc/47/87/21/453478721.db2.gz AQGDSJZTCKDRKD-INIZCTEOSA-N 1 1 334.460 3.088 50 0 EGAAMO COc1cccc(C[C@@H]2C[N@H+](Cc3ccc4c(c3)CCO4)CCO2)c1 ZINC000015074153 453555276 /nfs/dbraw/zinc/55/52/76/453555276.db2.gz UQVTXMHZNHFEEM-HXUWFJFHSA-N 1 1 339.435 3.074 50 0 EGAAMO COc1cccc(C[C@@H]2C[N@@H+](Cc3ccc4c(c3)CCO4)CCO2)c1 ZINC000015074153 453555280 /nfs/dbraw/zinc/55/52/80/453555280.db2.gz UQVTXMHZNHFEEM-HXUWFJFHSA-N 1 1 339.435 3.074 50 0 EGAAMO O=C(NCCC[N@H+]1CC[C@H](c2ccccc2)C1)NC1CCCCC1 ZINC000015108694 453556986 /nfs/dbraw/zinc/55/69/86/453556986.db2.gz BQVAIJCLLGCBBN-SFHVURJKSA-N 1 1 329.488 3.498 50 0 EGAAMO C[C@H]([NH2+]CC(=O)NCCCc1ccccc1)c1ccc(F)cc1F ZINC000016695808 453619100 /nfs/dbraw/zinc/61/91/00/453619100.db2.gz GXIIXTVGBLRBSX-AWEZNQCLSA-N 1 1 332.394 3.364 50 0 EGAAMO CCCOC(=O)NCc1cc2n(n1)CCC[N@H+](C1CCCCC1)C2 ZINC000082106451 453923699 /nfs/dbraw/zinc/92/36/99/453923699.db2.gz LJDDXIRYFDWVPU-UHFFFAOYSA-N 1 1 334.464 3.058 50 0 EGAAMO COCCN1C[C@@]2(CCC[N@@H+](Cc3ccc(C)cc3C)C2)CCC1=O ZINC000082108034 453924606 /nfs/dbraw/zinc/92/46/06/453924606.db2.gz CXNPUQOSTLIOSB-NRFANRHFSA-N 1 1 344.499 3.154 50 0 EGAAMO Cc1ccc(CN2CC[N@@H+](Cc3cc(C)ccc3C)C[C@H]2CCO)o1 ZINC000039362594 453943329 /nfs/dbraw/zinc/94/33/29/453943329.db2.gz IDGYFQPHYOYAMP-HXUWFJFHSA-N 1 1 342.483 3.274 50 0 EGAAMO Cc1ccc(C[N@H+]2CC[C@H](CNC(=O)NC3CCCC3)C2)cc1F ZINC000067642552 453952150 /nfs/dbraw/zinc/95/21/50/453952150.db2.gz DBLMGXFEUMZNIG-MRXNPFEDSA-N 1 1 333.451 3.198 50 0 EGAAMO Cc1ccoc1C(=O)NC[C@@H]1CC[N@@H+](Cc2nc(C(C)C)cs2)C1 ZINC000067643065 453952297 /nfs/dbraw/zinc/95/22/97/453952297.db2.gz OXIGNVDDFSIGQO-AWEZNQCLSA-N 1 1 347.484 3.420 50 0 EGAAMO Cc1ccoc1C(=O)NC[C@@H]1CC[N@H+](Cc2nc(C(C)C)cs2)C1 ZINC000067643065 453952299 /nfs/dbraw/zinc/95/22/99/453952299.db2.gz OXIGNVDDFSIGQO-AWEZNQCLSA-N 1 1 347.484 3.420 50 0 EGAAMO CC[C@H]1C[N@@H+](Cc2cc(Cl)cc(OC)c2OC)CC[C@@]1(C)O ZINC000067692540 453957905 /nfs/dbraw/zinc/95/79/05/453957905.db2.gz HWGCXYCUYXCZTJ-SUMWQHHRSA-N 1 1 327.852 3.340 50 0 EGAAMO CCOc1ccccc1OCC[N@H+](C)Cc1nc2ccccc2[nH]1 ZINC000067723450 453960084 /nfs/dbraw/zinc/96/00/84/453960084.db2.gz OTGJTPGINMTKPM-UHFFFAOYSA-N 1 1 325.412 3.472 50 0 EGAAMO CCOc1ccccc1OCC[N@@H+](C)Cc1nc2ccccc2[nH]1 ZINC000067723450 453960086 /nfs/dbraw/zinc/96/00/86/453960086.db2.gz OTGJTPGINMTKPM-UHFFFAOYSA-N 1 1 325.412 3.472 50 0 EGAAMO COC(=O)Cc1cc(C2CC[NH+](C/C(C)=C/c3ccco3)CC2)[nH]n1 ZINC000067739595 453961623 /nfs/dbraw/zinc/96/16/23/453961623.db2.gz WSNJRUOKELEORR-GXDHUFHOSA-N 1 1 343.427 3.001 50 0 EGAAMO Cc1oc(-c2cccc(Cl)c2)nc1C[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000067769704 453964630 /nfs/dbraw/zinc/96/46/30/453964630.db2.gz PSBAKBPKHKXPFU-CYBMUJFWSA-N 1 1 333.819 3.001 50 0 EGAAMO Cn1cc(C[N@H+](Cc2c[nH]nc2-c2ccc(F)cc2)C2CC2)cn1 ZINC000055119720 453964866 /nfs/dbraw/zinc/96/48/66/453964866.db2.gz MUTOJDYLCPFUGR-UHFFFAOYSA-N 1 1 325.391 3.114 50 0 EGAAMO Cn1cc(C[N@@H+](Cc2c[nH]nc2-c2ccc(F)cc2)C2CC2)cn1 ZINC000055119720 453964870 /nfs/dbraw/zinc/96/48/70/453964870.db2.gz MUTOJDYLCPFUGR-UHFFFAOYSA-N 1 1 325.391 3.114 50 0 EGAAMO CC(=O)Oc1c(C)cc(C[N@H+](C)Cc2[nH]nc3c2CCC3)cc1C ZINC000055228151 453971368 /nfs/dbraw/zinc/97/13/68/453971368.db2.gz MZNSJHLIFIVGGY-UHFFFAOYSA-N 1 1 327.428 3.073 50 0 EGAAMO CC(=O)Oc1c(C)cc(C[N@@H+](C)Cc2[nH]nc3c2CCC3)cc1C ZINC000055228151 453971373 /nfs/dbraw/zinc/97/13/73/453971373.db2.gz MZNSJHLIFIVGGY-UHFFFAOYSA-N 1 1 327.428 3.073 50 0 EGAAMO Cc1ccccc1C[N@H+]1CCC[C@H](CNC(=O)c2cnccc2C)C1 ZINC000067868167 453974488 /nfs/dbraw/zinc/97/44/88/453974488.db2.gz ZOVCASTZSZELGG-GOSISDBHSA-N 1 1 337.467 3.340 50 0 EGAAMO Cc1ccc(C(=O)NC[C@@H]2CC[N@@H+](Cc3cccnc3)C2)cc1Cl ZINC000067880004 453976070 /nfs/dbraw/zinc/97/60/70/453976070.db2.gz CIOGEFHPRSHBCK-INIZCTEOSA-N 1 1 343.858 3.295 50 0 EGAAMO c1ccc(C[N@@H+]2CC[C@H](NCc3noc(C4CCCC4)n3)C2)cc1 ZINC000067921340 453980457 /nfs/dbraw/zinc/98/04/57/453980457.db2.gz SLURSUDLEZQUIU-KRWDZBQOSA-N 1 1 326.444 3.091 50 0 EGAAMO CC(=O)c1ccccc1C(=O)NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000067935013 453981798 /nfs/dbraw/zinc/98/17/98/453981798.db2.gz IILJWBDAXBQZMA-SFHVURJKSA-N 1 1 336.435 3.141 50 0 EGAAMO O=C(NC1(Cc2ccccc2)CC1)[C@@H]1CCC[N@@H+](Cc2ccco2)C1 ZINC000055403161 453982128 /nfs/dbraw/zinc/98/21/28/453982128.db2.gz PJALIUANONIYFA-GOSISDBHSA-N 1 1 338.451 3.383 50 0 EGAAMO CCn1cc(C[N@H+]2CC[C@@H](c3ccc4ccccc4c3)[C@H](O)C2)cn1 ZINC000067947876 453983256 /nfs/dbraw/zinc/98/32/56/453983256.db2.gz LGSRNOUHSCSFLH-LEWJYISDSA-N 1 1 335.451 3.407 50 0 EGAAMO Cc1ccc2[nH]c(CN(C)C(=O)[C@H](C)n3cc[nH+]c3C(C)C)nc2c1 ZINC000067974727 453985405 /nfs/dbraw/zinc/98/54/05/453985405.db2.gz XLAUNXVXUNDPMJ-AWEZNQCLSA-N 1 1 339.443 3.411 50 0 EGAAMO C[N@H+]1CCCC[C@H]1CCC(=O)NC1CCN(c2ccc(F)cc2)CC1 ZINC000095361633 454197174 /nfs/dbraw/zinc/19/71/74/454197174.db2.gz TYNIWWJIASWJAZ-SFHVURJKSA-N 1 1 347.478 3.175 50 0 EGAAMO CCCc1nc(C(=O)N2C[C@H]3CC[C@H](C[N@@H+]3CC3CCC3)C2)cs1 ZINC000095369674 454198384 /nfs/dbraw/zinc/19/83/84/454198384.db2.gz MLDVHGFMSDJULA-HZPDHXFCSA-N 1 1 347.528 3.432 50 0 EGAAMO CC(C)c1[nH+]ccn1[C@@H](C)C(=O)NCc1cccc(N2CCCC2)c1 ZINC000095376330 454198405 /nfs/dbraw/zinc/19/84/05/454198405.db2.gz BTXRQNPTZJBMFS-INIZCTEOSA-N 1 1 340.471 3.484 50 0 EGAAMO C[NH+](C)[C@@H](C(=O)N(Cc1cccc(O)c1)C1CC1)c1cccc(F)c1 ZINC000095370423 454198525 /nfs/dbraw/zinc/19/85/25/454198525.db2.gz UVERJRLTSWROQR-LJQANCHMSA-N 1 1 342.414 3.325 50 0 EGAAMO CCn1nc(CNC(=O)[C@@H](C)n2cc[nH+]c2C(C)C)c2ccccc21 ZINC000095504747 454223675 /nfs/dbraw/zinc/22/36/75/454223675.db2.gz KOBDXBLBAHMPBF-CQSZACIVSA-N 1 1 339.443 3.254 50 0 EGAAMO Cc1cc(CN(CCc2ccccc2)C[C@@H]2CCC[N@H+](C)C2)on1 ZINC000095508596 454224358 /nfs/dbraw/zinc/22/43/58/454224358.db2.gz ICTUZAAIESZNSY-LJQANCHMSA-N 1 1 327.472 3.370 50 0 EGAAMO Cc1cc(C[N@@H+](CCc2ccccc2)C[C@@H]2CCCN(C)C2)on1 ZINC000095508596 454224364 /nfs/dbraw/zinc/22/43/64/454224364.db2.gz ICTUZAAIESZNSY-LJQANCHMSA-N 1 1 327.472 3.370 50 0 EGAAMO Cc1cc(C[N@H+](CCc2ccccc2)C[C@@H]2CCCN(C)C2)on1 ZINC000095508596 454224372 /nfs/dbraw/zinc/22/43/72/454224372.db2.gz ICTUZAAIESZNSY-LJQANCHMSA-N 1 1 327.472 3.370 50 0 EGAAMO Cc1ccc(-c2n[nH]cc2C[N@H+](C[C@@H]2CCC(=O)N2)C(C)C)cc1C ZINC000046173721 454225295 /nfs/dbraw/zinc/22/52/95/454225295.db2.gz PIZUUTFIJZJKPK-SFHVURJKSA-N 1 1 340.471 3.183 50 0 EGAAMO Cc1nc2ccccc2nc1CN1CC[NH+](Cc2cccs2)CC1 ZINC000060942628 454321998 /nfs/dbraw/zinc/32/19/98/454321998.db2.gz BIVQZRKKOBQXAK-UHFFFAOYSA-N 1 1 338.480 3.318 50 0 EGAAMO CC[N@H+]1CCC[C@H](c2cn(Cc3nc4cc(C)c(C)cc4[nH]3)nn2)C1 ZINC000091270607 454420261 /nfs/dbraw/zinc/42/02/61/454420261.db2.gz PVQPZZKRZCDFDT-HNNXBMFYSA-N 1 1 338.459 3.019 50 0 EGAAMO CC(C)(C)c1oc(C(N)=O)cc1C[N@H+]1CCC[C@](CO)(CC2CC2)C1 ZINC000091391307 454432530 /nfs/dbraw/zinc/43/25/30/454432530.db2.gz RFGPUPBXUAREMP-FQEVSTJZSA-N 1 1 348.487 3.051 50 0 EGAAMO COCCC[C@@]1(CO)CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000091381818 454432568 /nfs/dbraw/zinc/43/25/68/454432568.db2.gz XCZFIXZQBYPJIS-KRWDZBQOSA-N 1 1 329.843 3.480 50 0 EGAAMO COCCC[C@@]1(CO)CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000091381818 454432570 /nfs/dbraw/zinc/43/25/70/454432570.db2.gz XCZFIXZQBYPJIS-KRWDZBQOSA-N 1 1 329.843 3.480 50 0 EGAAMO C[N@H+]1CCCCC[C@@H]1C(=O)NCCc1ccccc1C(F)(F)F ZINC000091425779 454433536 /nfs/dbraw/zinc/43/35/36/454433536.db2.gz JUNRGGPLNQIINR-OAHLLOKOSA-N 1 1 328.378 3.239 50 0 EGAAMO CC(C)[N@H+]1CC[C@H](C(=O)NCc2ccc(C(F)(F)F)cc2F)C1 ZINC000097546567 454440801 /nfs/dbraw/zinc/44/08/01/454440801.db2.gz RGVWXDWDQRQTLP-LBPRGKRZSA-N 1 1 332.341 3.191 50 0 EGAAMO CN(C)C[C@@H]1C[N@H+](Cc2ccc(C3CCCCC3)s2)C[C@@H]1CO ZINC000091563443 454446031 /nfs/dbraw/zinc/44/60/31/454446031.db2.gz IKKJRWPFQUBZTL-IAGOWNOFSA-N 1 1 336.545 3.398 50 0 EGAAMO CN(C)C[C@@H]1C[N@@H+](Cc2ccc(C3CCCCC3)s2)C[C@@H]1CO ZINC000091563443 454446038 /nfs/dbraw/zinc/44/60/38/454446038.db2.gz IKKJRWPFQUBZTL-IAGOWNOFSA-N 1 1 336.545 3.398 50 0 EGAAMO Fc1ccc(CN2C[C@H]3CC[C@@H]2C[N@@H+](Cc2cccnc2)C3)cc1F ZINC000091595439 454448809 /nfs/dbraw/zinc/44/88/09/454448809.db2.gz IYVWBZNGZMMTLU-ZWKOTPCHSA-N 1 1 343.421 3.456 50 0 EGAAMO Fc1ccc(C[N@@H+]2C[C@H]3CC[C@@H]2CN(Cc2cccnc2)C3)cc1F ZINC000091595439 454448815 /nfs/dbraw/zinc/44/88/15/454448815.db2.gz IYVWBZNGZMMTLU-ZWKOTPCHSA-N 1 1 343.421 3.456 50 0 EGAAMO Fc1ccc(C[N@H+]2C[C@H]3CC[C@@H]2CN(Cc2cccnc2)C3)cc1F ZINC000091595439 454448818 /nfs/dbraw/zinc/44/88/18/454448818.db2.gz IYVWBZNGZMMTLU-ZWKOTPCHSA-N 1 1 343.421 3.456 50 0 EGAAMO CC[C@H](CO)[N@@H+](Cc1ccsc1)Cc1ccc(NC(C)=O)cc1 ZINC000063847210 454454386 /nfs/dbraw/zinc/45/43/86/454454386.db2.gz OCFZPXKMJYQQJE-GOSISDBHSA-N 1 1 332.469 3.480 50 0 EGAAMO Fc1cccnc1N1CCC[C@H](c2[nH+]ccn2Cc2ccncc2)C1 ZINC000091690454 454459355 /nfs/dbraw/zinc/45/93/55/454459355.db2.gz RKDBSXZFMGXHRW-INIZCTEOSA-N 1 1 337.402 3.245 50 0 EGAAMO CC[C@]1(CO)CCC[N@H+](C2CCN(c3cccc(OC)c3)CC2)C1 ZINC000091779851 454470611 /nfs/dbraw/zinc/47/06/11/454470611.db2.gz GGWHNFAADMRYPR-FQEVSTJZSA-N 1 1 332.488 3.149 50 0 EGAAMO CC(C)Cc1cc(C(=O)NC[C@H]2CC[N@H+](C3CCCCC3)C2)n(C)n1 ZINC000091877231 454484215 /nfs/dbraw/zinc/48/42/15/454484215.db2.gz MWENZCGZEWVZPA-MRXNPFEDSA-N 1 1 346.519 3.003 50 0 EGAAMO COCC[C@@]1(CO)CCC[N@@H+](Cc2cc(C3CCCCC3)no2)C1 ZINC000091998136 454501482 /nfs/dbraw/zinc/50/14/82/454501482.db2.gz ZTTZWGBFIKKILO-IBGZPJMESA-N 1 1 336.476 3.333 50 0 EGAAMO Cc1[nH+]c2cc3c(cc2n1CC(=O)Nc1ccc(C)cc1)OCCO3 ZINC000064794991 454505744 /nfs/dbraw/zinc/50/57/44/454505744.db2.gz NHMGFQKZSLILGH-UHFFFAOYSA-N 1 1 337.379 3.063 50 0 EGAAMO c1ccc(CCC[N@H+]2CCCN(c3nnc(C4CC4)o3)CC2)cc1 ZINC000092065523 454513342 /nfs/dbraw/zinc/51/33/42/454513342.db2.gz UZZNXTBXMIVGTE-UHFFFAOYSA-N 1 1 326.444 3.092 50 0 EGAAMO OCc1ccc(C[N@H+]2CC[C@H](c3ccnc(-c4cccnc4)c3)C2)o1 ZINC000065403806 454560097 /nfs/dbraw/zinc/56/00/97/454560097.db2.gz BVGINXMKLLVAFX-KRWDZBQOSA-N 1 1 335.407 3.218 50 0 EGAAMO O=C(c1ccccn1)N1CCC[C@H]1[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000065625553 454607590 /nfs/dbraw/zinc/60/75/90/454607590.db2.gz OIXBDLWIKITHDB-UXHICEINSA-N 1 1 335.451 3.351 50 0 EGAAMO Cn1ccc2ccc(C(=O)NC[C@@H]3CCC[N@H+]4CCCC[C@@H]34)cc21 ZINC000170613334 454941990 /nfs/dbraw/zinc/94/19/90/454941990.db2.gz LJHXKSQDEWTYLC-ROUUACIJSA-N 1 1 325.456 3.173 50 0 EGAAMO Cc1ccccc1NC(=O)[C@H](C)[NH+]1CCC(O)(c2ccccc2)CC1 ZINC000185489542 455565422 /nfs/dbraw/zinc/56/54/22/455565422.db2.gz KKLUYNFJWFSXEM-KRWDZBQOSA-N 1 1 338.451 3.306 50 0 EGAAMO C[C@H](c1cccc(CN(CCO)Cc2ccc(F)cc2)c1)[NH+](C)C ZINC000220472132 456039956 /nfs/dbraw/zinc/03/99/56/456039956.db2.gz PHNMRFFDKSFMSS-MRXNPFEDSA-N 1 1 330.447 3.443 50 0 EGAAMO COCC1(CNC(=O)[C@@H]2CCCC[N@H+]2Cc2ccccc2)CCCC1 ZINC000222853188 456051048 /nfs/dbraw/zinc/05/10/48/456051048.db2.gz ZLFZRVPXOYFACY-IBGZPJMESA-N 1 1 344.499 3.364 50 0 EGAAMO O=C(c1ccc(F)c(F)c1)N1CC[C@H]([N@H+]2CCc3ccccc3C2)C1 ZINC000225684713 456102882 /nfs/dbraw/zinc/10/28/82/456102882.db2.gz WZHNZSACVOXWBW-KRWDZBQOSA-N 1 1 342.389 3.238 50 0 EGAAMO O=C(NCC[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ncc(F)cc1F ZINC000299774795 456780822 /nfs/dbraw/zinc/78/08/22/456780822.db2.gz IMSLWHVMIXYBAL-HNNXBMFYSA-N 1 1 345.393 3.002 50 0 EGAAMO CC(C)C[N@H+]1CCCN(C(=O)NCc2ccnc3ccccc23)CC1 ZINC000426403512 457822272 /nfs/dbraw/zinc/82/22/72/457822272.db2.gz MSUUAAYHFMZCBS-UHFFFAOYSA-N 1 1 340.471 3.108 50 0 EGAAMO Cc1nc([C@@H]2CCOC2)cc(N2CCC[N@H+](C3CCCCC3)CC2)n1 ZINC000426490758 457842753 /nfs/dbraw/zinc/84/27/53/457842753.db2.gz UEUGVBXDWBLNHH-QGZVFWFLSA-N 1 1 344.503 3.134 50 0 EGAAMO Cc1[nH+]cn(CCNC(=O)c2ccc(-c3ccnc(C)c3)cc2)c1C ZINC000426521571 457849031 /nfs/dbraw/zinc/84/90/31/457849031.db2.gz YDEQAZCLICSHIQ-UHFFFAOYSA-N 1 1 334.423 3.300 50 0 EGAAMO CC1(NC(=O)N2CCC[N@H+](Cc3cccnc3)CC2)CCCCCC1 ZINC000584897790 459820479 /nfs/dbraw/zinc/82/04/79/459820479.db2.gz GDJIPWXSNXHRNR-UHFFFAOYSA-N 1 1 344.503 3.412 50 0 EGAAMO CC1(NC(=O)N2CCC[N@@H+](Cc3cccnc3)CC2)CCCCCC1 ZINC000584897790 459820484 /nfs/dbraw/zinc/82/04/84/459820484.db2.gz GDJIPWXSNXHRNR-UHFFFAOYSA-N 1 1 344.503 3.412 50 0 EGAAMO O=C(Nc1c(F)cccc1F)N[C@@H]1CC[N@@H+](Cc2ccsc2)C1 ZINC000585150067 459830441 /nfs/dbraw/zinc/83/04/41/459830441.db2.gz SANVWTJWJWFNKR-GFCCVEGCSA-N 1 1 337.395 3.422 50 0 EGAAMO Cc1ccc(NC(=O)N2CCC[N@H+](C3CCSCC3)CC2)cc1 ZINC000575615643 459984960 /nfs/dbraw/zinc/98/49/60/459984960.db2.gz FILQVQRSHVNEET-UHFFFAOYSA-N 1 1 333.501 3.430 50 0 EGAAMO O=C1C[C@]2(CC[N@H+](Cc3ccc(-c4cc[nH]n4)o3)C2)Oc2ccccc21 ZINC000639268172 461836066 /nfs/dbraw/zinc/83/60/66/461836066.db2.gz VTWULMIGDTXYJE-FQEVSTJZSA-N 1 1 349.390 3.280 50 0 EGAAMO O=C1C[C@]2(CC[N@@H+](Cc3ccc(-c4cc[nH]n4)o3)C2)Oc2ccccc21 ZINC000639268172 461836077 /nfs/dbraw/zinc/83/60/77/461836077.db2.gz VTWULMIGDTXYJE-FQEVSTJZSA-N 1 1 349.390 3.280 50 0 EGAAMO COc1ccc(F)c(F)c1CN1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000215786986 536599887 /nfs/dbraw/zinc/59/98/87/536599887.db2.gz UTJIBQZUXADXGR-QGZVFWFLSA-N 1 1 332.394 3.462 50 0 EGAAMO COc1ccc(F)c(F)c1CN1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000215786986 536599891 /nfs/dbraw/zinc/59/98/91/536599891.db2.gz UTJIBQZUXADXGR-QGZVFWFLSA-N 1 1 332.394 3.462 50 0 EGAAMO COc1cc(C[N@H+]2CCC[C@@H]2CO)ccc1OCc1ccccc1 ZINC000023281082 536754010 /nfs/dbraw/zinc/75/40/10/536754010.db2.gz WMNCVXGNBITFKR-GOSISDBHSA-N 1 1 327.424 3.231 50 0 EGAAMO O=C(NCC[N@H+]1CCC[C@H](c2ccccc2)C1)c1cccn1C1CC1 ZINC000670441949 548215534 /nfs/dbraw/zinc/21/55/34/548215534.db2.gz HTWVETSLMVUMOS-SFHVURJKSA-N 1 1 337.467 3.432 50 0 EGAAMO CC(C)(C(=O)NCC[N@H+]1CCC[C@H](c2ccccc2)C1)n1cccc1 ZINC000670467591 548219986 /nfs/dbraw/zinc/21/99/86/548219986.db2.gz MZCIJYSMEVWALI-IBGZPJMESA-N 1 1 339.483 3.219 50 0 EGAAMO CC(C)(C)OC(=O)N1CCC(=O)[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000169804394 564017212 /nfs/dbraw/zinc/01/72/12/564017212.db2.gz XNXVCGUUXFLGCB-HXUWFJFHSA-N 1 1 344.455 3.089 50 0 EGAAMO CC(C)C[N@H+]1CC[C@]2(C1)CCCN(Cc1ccc(F)c(F)c1)C2=O ZINC000011933037 1291129189 /nfs/dbraw/zinc/12/91/89/1291129189.db2.gz ZTISOVRXLWGJEQ-IBGZPJMESA-N 1 1 336.426 3.435 50 0 EGAAMO CCOC(=O)N1CC[NH+]([C@H](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000071928232 1292272129 /nfs/dbraw/zinc/27/21/29/1292272129.db2.gz MAZDYNBDMBYPBP-CYBMUJFWSA-N 1 1 344.377 3.411 50 0 EGAAMO CCC[C@H]1C[C@H]1C(=O)N1CCC[N@H+](Cc2ccc(C#N)cc2)CC1 ZINC000079381721 1292557183 /nfs/dbraw/zinc/55/71/83/1292557183.db2.gz ZTHQNGIAQRJESD-RBUKOAKNSA-N 1 1 325.456 3.029 50 0 EGAAMO CCC[C@H]1C[C@H]1C(=O)N1CCC[N@@H+](Cc2ccc(C#N)cc2)CC1 ZINC000079381721 1292557189 /nfs/dbraw/zinc/55/71/89/1292557189.db2.gz ZTHQNGIAQRJESD-RBUKOAKNSA-N 1 1 325.456 3.029 50 0 EGAAMO O=C(N[C@H]1CCC[N@H+](Cc2cccs2)C1)c1cc(C2CC2)no1 ZINC000885938844 1303287545 /nfs/dbraw/zinc/28/75/45/1303287545.db2.gz AUFMMMLWFHSMDH-ZDUSSCGKSA-N 1 1 331.441 3.008 50 0 EGAAMO O=C(N[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1cc(C2CC2)no1 ZINC000885938844 1303287551 /nfs/dbraw/zinc/28/75/51/1303287551.db2.gz AUFMMMLWFHSMDH-ZDUSSCGKSA-N 1 1 331.441 3.008 50 0 EGAAMO CCc1nc2cc(NC(=O)[C@H]3CCCCC[N@H+]3C)ccc2n1CC ZINC000823582625 1320188422 /nfs/dbraw/zinc/18/84/22/1320188422.db2.gz SLMFVOBIFNNTPR-QGZVFWFLSA-N 1 1 328.460 3.432 50 0 EGAAMO CC[C@@H](Cc1ccco1)[NH2+]CC1(N2CCN(C)CC2)CCCCC1 ZINC000952965925 1334626129 /nfs/dbraw/zinc/62/61/29/1334626129.db2.gz BDFSNJUCTHSUQT-SFHVURJKSA-N 1 1 333.520 3.141 50 0 EGAAMO CCCN1C[C@@H]([NH2+]Cc2nc3ccccc3n2CCC(C)C)CC1=O ZINC000952965871 1334626491 /nfs/dbraw/zinc/62/64/91/1334626491.db2.gz FZGDQAUETNUHRK-INIZCTEOSA-N 1 1 342.487 3.183 50 0 EGAAMO CCCCc1nc(C[N@@H+]2CCC[C@]3(CCc4cnc(C)nc43)C2)c[nH]1 ZINC001704337169 1416448373 /nfs/dbraw/zinc/44/83/73/1416448373.db2.gz OAIZMQFHOGIBKM-FQEVSTJZSA-N 1 1 339.487 3.331 50 0 EGAAMO CCCCc1nc(C[N@H+]2CCC[C@]3(CCc4cnc(C)nc43)C2)c[nH]1 ZINC001704337169 1416448375 /nfs/dbraw/zinc/44/83/75/1416448375.db2.gz OAIZMQFHOGIBKM-FQEVSTJZSA-N 1 1 339.487 3.331 50 0 EGAAMO COc1cc(OC)c(CN2CC([N@H+]3CCCC[C@@H]3C)C2)cc1Cl ZINC001704353064 1416453524 /nfs/dbraw/zinc/45/35/24/1416453524.db2.gz PJFGQJQZXGZAIW-ZDUSSCGKSA-N 1 1 338.879 3.416 50 0 EGAAMO Cc1nn(C)c(N(C)C)c1C[NH2+][C@H]1CCOc2c(Cl)cccc21 ZINC000065478856 282268431 /nfs/dbraw/zinc/26/84/31/282268431.db2.gz RVOCTIUDYHEVJI-HNNXBMFYSA-N 1 1 334.851 3.061 50 0 EGAAMO C[C@@H]1C[C@H](C)C[N@H+](C[C@H](O)COc2ccccc2Br)C1 ZINC000004276582 210160248 /nfs/dbraw/zinc/16/02/48/210160248.db2.gz HCWOSQRJLHEQOL-MJBXVCDLSA-N 1 1 342.277 3.167 50 0 EGAAMO C[C@H]1CCCC[N@H+]1C[C@H](O)COc1ccc(Br)cc1 ZINC000004279502 210160006 /nfs/dbraw/zinc/16/00/06/210160006.db2.gz PXZKDSWGKAGWIE-JSGCOSHPSA-N 1 1 328.250 3.063 50 0 EGAAMO C[N@@H+](Cc1ccccc1)[C@H]1CCCN(Cc2cccc3nonc32)C1 ZINC000019720442 202016855 /nfs/dbraw/zinc/01/68/55/202016855.db2.gz MICHGFRVAYLQTD-SFHVURJKSA-N 1 1 336.439 3.319 50 0 EGAAMO CN(Cc1ccccc1)[C@H]1CCC[N@H+](Cc2cccc3nonc32)C1 ZINC000019720442 202016859 /nfs/dbraw/zinc/01/68/59/202016859.db2.gz MICHGFRVAYLQTD-SFHVURJKSA-N 1 1 336.439 3.319 50 0 EGAAMO CN(Cc1ccccc1)[C@H]1CCC[N@@H+](Cc2cccc3nonc32)C1 ZINC000019720442 202016863 /nfs/dbraw/zinc/01/68/63/202016863.db2.gz MICHGFRVAYLQTD-SFHVURJKSA-N 1 1 336.439 3.319 50 0 EGAAMO COc1ccc(/C=C/CN2CC[N@@H+](C3CCCC3)[C@@H](CCO)C2)cc1 ZINC000019782298 202020257 /nfs/dbraw/zinc/02/02/57/202020257.db2.gz XLFIFBISBMBZOF-SGSXCFNPSA-N 1 1 344.499 3.020 50 0 EGAAMO O=C(NCC1([NH+]2CCOCC2)CCCCC1)c1cccc(Cl)c1 ZINC000019902270 202024789 /nfs/dbraw/zinc/02/47/89/202024789.db2.gz VKNCENQWLFKXPM-UHFFFAOYSA-N 1 1 336.863 3.105 50 0 EGAAMO Cc1ccccc1C[N@H+]1CCN(Cc2cccc(F)c2)C[C@@H]1CCO ZINC000020449237 202043025 /nfs/dbraw/zinc/04/30/25/202043025.db2.gz WAEXKTJJWYLFNN-NRFANRHFSA-N 1 1 342.458 3.203 50 0 EGAAMO Fc1ccc(-c2c[nH]nc2[C@H]2CCC[N@@H+](Cc3cc[nH]n3)C2)cc1 ZINC000020775003 202054654 /nfs/dbraw/zinc/05/46/54/202054654.db2.gz RHWFANXVHCQTNS-AWEZNQCLSA-N 1 1 325.391 3.319 50 0 EGAAMO O[C@H](c1ccc(Cl)cc1)[C@H](C[NH+]1CCOCC1)c1ccccc1 ZINC000020813081 202055105 /nfs/dbraw/zinc/05/51/05/202055105.db2.gz FUDJAHCMDYNXAS-RTBURBONSA-N 1 1 331.843 3.489 50 0 EGAAMO COC[C@@H](C)NC(=O)c1ccc(C[N@H+]2CCc3ccccc3C2)cc1 ZINC000020567875 202049444 /nfs/dbraw/zinc/04/94/44/202049444.db2.gz TUNBOPUGZIAFJZ-MRXNPFEDSA-N 1 1 338.451 3.010 50 0 EGAAMO Cc1ccc(CNC(=O)CC[C@H]2CCC[N@@H+](Cc3ccccn3)C2)o1 ZINC000023506244 202104147 /nfs/dbraw/zinc/10/41/47/202104147.db2.gz HGUPZKAVZXUHRW-QGZVFWFLSA-N 1 1 341.455 3.292 50 0 EGAAMO CN1CCN([C@@H]2CC[N@@H+](Cc3ccc(-c4ccccc4)cc3)C2)CC1 ZINC000035813014 202311101 /nfs/dbraw/zinc/31/11/01/202311101.db2.gz DYXAUOVESIOYIU-JOCHJYFZSA-N 1 1 335.495 3.175 50 0 EGAAMO CC(C)[N@H+]1CCN(Cc2nc(-c3ccccc3)cs2)C[C@H]1CCO ZINC000036385576 202324172 /nfs/dbraw/zinc/32/41/72/202324172.db2.gz BCPPBWBMSVWBCA-QGZVFWFLSA-N 1 1 345.512 3.087 50 0 EGAAMO Cc1cc(C(=O)N2CCC[C@@H]2[C@@H]2CCC[N@H+]2Cc2ccccc2)on1 ZINC000072280490 202360658 /nfs/dbraw/zinc/36/06/58/202360658.db2.gz HTUKOXMLIZSHIX-ZWKOTPCHSA-N 1 1 339.439 3.252 50 0 EGAAMO Cc1ccccc1-c1noc(C[N@@H+]2CC[C@@H](CNc3ccccn3)C2)n1 ZINC000097200586 201383016 /nfs/dbraw/zinc/38/30/16/201383016.db2.gz FVQBAXRCNPUZBP-INIZCTEOSA-N 1 1 349.438 3.374 50 0 EGAAMO Cc1ccccc1-c1noc(C[N@H+]2CC[C@@H](CNc3ccccn3)C2)n1 ZINC000097200586 201383020 /nfs/dbraw/zinc/38/30/20/201383020.db2.gz FVQBAXRCNPUZBP-INIZCTEOSA-N 1 1 349.438 3.374 50 0 EGAAMO CCOc1cc2c(cc1C[N@@H+](C)[C@H](C)Cc1cnccn1)CCC2 ZINC000215039613 241102724 /nfs/dbraw/zinc/10/27/24/241102724.db2.gz WHXXBNFHKHRBJF-OAHLLOKOSA-N 1 1 325.456 3.427 50 0 EGAAMO COCC[N@@H+](Cc1ccncc1)Cc1ccc2c(c1)CC(C)(C)O2 ZINC000216262839 241177296 /nfs/dbraw/zinc/17/72/96/241177296.db2.gz RHTCBRCNAPQNQW-UHFFFAOYSA-N 1 1 326.440 3.444 50 0 EGAAMO Cc1nc([C@H]2CCC[N@@H+](Cc3c[nH]nc3-c3cccc(F)c3)C2)no1 ZINC000215658985 241137451 /nfs/dbraw/zinc/13/74/51/241137451.db2.gz VQNXIVAGCZGGIG-AWEZNQCLSA-N 1 1 341.390 3.287 50 0 EGAAMO CN(Cc1noc(C2CCC2)n1)C[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000244673657 243055738 /nfs/dbraw/zinc/05/57/38/243055738.db2.gz HTIGIGUBWWWUDJ-GOSISDBHSA-N 1 1 340.471 3.434 50 0 EGAAMO Cc1cc(NC(=O)C[N@@H+]2CCC[C@H](c3cc[nH]n3)C2)ccc1Cl ZINC000244778704 243078392 /nfs/dbraw/zinc/07/83/92/243078392.db2.gz PVAYTQSYQUERSZ-ZDUSSCGKSA-N 1 1 332.835 3.190 50 0 EGAAMO Cc1cc(NC(=O)C[N@H+]2CCC[C@H](c3cc[nH]n3)C2)ccc1Cl ZINC000244778704 243078397 /nfs/dbraw/zinc/07/83/97/243078397.db2.gz PVAYTQSYQUERSZ-ZDUSSCGKSA-N 1 1 332.835 3.190 50 0 EGAAMO CCC1=NO[C@@H](C[N@@H+]2CCc3[nH]nc(-c4ccc(F)c(F)c4)c3C2)C1 ZINC000071315739 203091601 /nfs/dbraw/zinc/09/16/01/203091601.db2.gz UMQAXOPKGQXFAG-CYBMUJFWSA-N 1 1 346.381 3.268 50 0 EGAAMO CCC1=NO[C@@H](C[N@H+]2CCc3[nH]nc(-c4ccc(F)c(F)c4)c3C2)C1 ZINC000071315739 203091603 /nfs/dbraw/zinc/09/16/03/203091603.db2.gz UMQAXOPKGQXFAG-CYBMUJFWSA-N 1 1 346.381 3.268 50 0 EGAAMO CCc1ccc(C[N@H+]2CCC(=O)N(CC3CC3)[C@@H](C(C)C)C2)nc1 ZINC000071662631 203102102 /nfs/dbraw/zinc/10/21/02/203102102.db2.gz CFFMGWXMQAJASE-LJQANCHMSA-N 1 1 329.488 3.113 50 0 EGAAMO COc1ccc(-c2nc(C[N@@H+](C)CC3(C)COC3)c(C)o2)c(F)c1 ZINC000071639419 203102481 /nfs/dbraw/zinc/10/24/81/203102481.db2.gz AECRHNNLTYIHRJ-UHFFFAOYSA-N 1 1 334.391 3.266 50 0 EGAAMO COc1ccc(F)c(-c2nc(C[N@H+](C)C[C@H]3CCCO3)c(C)o2)c1 ZINC000071715140 203104466 /nfs/dbraw/zinc/10/44/66/203104466.db2.gz QMUGHHFXZYJWLG-CQSZACIVSA-N 1 1 334.391 3.409 50 0 EGAAMO COc1ccc(F)c(-c2nc(C[N@@H+](C)C[C@H]3CCCO3)c(C)o2)c1 ZINC000071715140 203104469 /nfs/dbraw/zinc/10/44/69/203104469.db2.gz QMUGHHFXZYJWLG-CQSZACIVSA-N 1 1 334.391 3.409 50 0 EGAAMO Cc1cccc(C(=O)N2CCC[N@@H+](CC3CC3)[C@H](C(C)C)C2)c1O ZINC000071747330 203106215 /nfs/dbraw/zinc/10/62/15/203106215.db2.gz YVEZRZBBLHZZRR-SFHVURJKSA-N 1 1 330.472 3.283 50 0 EGAAMO CC(C)c1cc(C(=O)N2CCC[N@@H+](CC3CC3)[C@H](C(C)C)C2)[nH]n1 ZINC000071765330 203110384 /nfs/dbraw/zinc/11/03/84/203110384.db2.gz TXSJTESMJSEKBN-SFHVURJKSA-N 1 1 332.492 3.116 50 0 EGAAMO CC(C)c1cc(C(=O)N2CCC[N@H+](CC3CC3)[C@H](C(C)C)C2)n[nH]1 ZINC000071765330 203110387 /nfs/dbraw/zinc/11/03/87/203110387.db2.gz TXSJTESMJSEKBN-SFHVURJKSA-N 1 1 332.492 3.116 50 0 EGAAMO CC(C)c1cc(C(=O)N2CCC[N@@H+](CC3CC3)[C@H](C(C)C)C2)n[nH]1 ZINC000071765330 203110390 /nfs/dbraw/zinc/11/03/90/203110390.db2.gz TXSJTESMJSEKBN-SFHVURJKSA-N 1 1 332.492 3.116 50 0 EGAAMO c1ccc(CO[C@@H]2CCC[N@@H+](Cc3ccc4c(c3)OCCO4)C2)nc1 ZINC000072142993 203167623 /nfs/dbraw/zinc/16/76/23/203167623.db2.gz GITKBMAPRDSQAZ-GOSISDBHSA-N 1 1 340.423 3.034 50 0 EGAAMO COc1coc(C[N@H+]2CCCC[C@H]2CCc2cccc(O)c2)cc1=O ZINC000072154563 203174610 /nfs/dbraw/zinc/17/46/10/203174610.db2.gz HFDXYVNOCHBFCN-INIZCTEOSA-N 1 1 343.423 3.341 50 0 EGAAMO COc1cccc([C@H]2CCCC[N@@H+]2Cc2cc(=O)c(OC)co2)c1 ZINC000072153700 203174948 /nfs/dbraw/zinc/17/49/48/203174948.db2.gz LDKLVJIYYCSNJY-QGZVFWFLSA-N 1 1 329.396 3.384 50 0 EGAAMO COc1cccc([C@H]2CCCC[N@H+]2Cc2cc(=O)c(OC)co2)c1 ZINC000072153700 203174951 /nfs/dbraw/zinc/17/49/51/203174951.db2.gz LDKLVJIYYCSNJY-QGZVFWFLSA-N 1 1 329.396 3.384 50 0 EGAAMO COCCn1cncc1C[N@@H+]1CCCC[C@@H]1c1cccc(OC)c1 ZINC000072172413 203180581 /nfs/dbraw/zinc/18/05/81/203180581.db2.gz TUUNYDYXQGFXOP-LJQANCHMSA-N 1 1 329.444 3.265 50 0 EGAAMO COCCn1cncc1C[N@H+]1CCCC[C@@H]1c1cccc(OC)c1 ZINC000072172413 203180584 /nfs/dbraw/zinc/18/05/84/203180584.db2.gz TUUNYDYXQGFXOP-LJQANCHMSA-N 1 1 329.444 3.265 50 0 EGAAMO CN1C[C@]2(CCC[N@@H+](Cc3nc4ccccc4s3)CC2)OC1=O ZINC000072169546 203180637 /nfs/dbraw/zinc/18/06/37/203180637.db2.gz UTJWAXYMUVKZSI-QGZVFWFLSA-N 1 1 331.441 3.103 50 0 EGAAMO CC(C)Nc1n[nH]c2nc([C@H]3CCC[NH2+]C3)cc(C(F)(F)F)c12 ZINC000072343463 203203614 /nfs/dbraw/zinc/20/36/14/203203614.db2.gz XKUBZZOCRNJHTK-VIFPVBQESA-N 1 1 327.354 3.264 50 0 EGAAMO Cc1c(Cl)ccc(OCCOCC[NH+]2C[C@H](C)O[C@@H](C)C2)c1C ZINC000020167164 212108598 /nfs/dbraw/zinc/10/85/98/212108598.db2.gz VQOTZXGWFNHLHE-KBPBESRZSA-N 1 1 341.879 3.461 50 0 EGAAMO Cc1oc(-c2ccccc2Cl)nc1C[N@H+](C)C[C@@H]1COCCO1 ZINC000072469043 203229793 /nfs/dbraw/zinc/22/97/93/203229793.db2.gz FPIFHNHOULKOQL-CYBMUJFWSA-N 1 1 336.819 3.151 50 0 EGAAMO Cc1oc(-c2ccccc2Cl)nc1C[N@@H+](C)C[C@@H]1COCCO1 ZINC000072469043 203229796 /nfs/dbraw/zinc/22/97/96/203229796.db2.gz FPIFHNHOULKOQL-CYBMUJFWSA-N 1 1 336.819 3.151 50 0 EGAAMO CCC[N@H+]1CC2(C[C@@H]1C(=O)[O-])CC[NH+](Cc1ccc(C)cc1F)CC2 ZINC000072469382 203229955 /nfs/dbraw/zinc/22/99/55/203229955.db2.gz VCCKZDJODIXRJJ-GOSISDBHSA-N 1 1 348.462 3.285 50 0 EGAAMO CC(C)c1cc(C(=O)N2CCC[N@H+](Cc3cccs3)CC2)no1 ZINC000077357537 203383424 /nfs/dbraw/zinc/38/34/24/203383424.db2.gz JMGIWQSKMVKZBS-UHFFFAOYSA-N 1 1 333.457 3.208 50 0 EGAAMO CC(C)c1cc(C(=O)N2CCC[N@@H+](Cc3cccs3)CC2)no1 ZINC000077357537 203383426 /nfs/dbraw/zinc/38/34/26/203383426.db2.gz JMGIWQSKMVKZBS-UHFFFAOYSA-N 1 1 333.457 3.208 50 0 EGAAMO Cc1[nH+]ccn1CCC(=O)N1CCC[C@H](COc2ccc(F)cc2)C1 ZINC000077357281 203383823 /nfs/dbraw/zinc/38/38/23/203383823.db2.gz NZIRHHAFCCROLF-INIZCTEOSA-N 1 1 345.418 3.038 50 0 EGAAMO O=C(c1ccc(OC(F)F)cc1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000077408123 203386947 /nfs/dbraw/zinc/38/69/47/203386947.db2.gz QGXSQUNDTUJZOV-UHFFFAOYSA-N 1 1 338.398 3.379 50 0 EGAAMO CCCCN1C[C@]2(CCC[N@@H+](Cc3c(C)noc3C)C2)CCC1=O ZINC000077419465 203387032 /nfs/dbraw/zinc/38/70/32/203387032.db2.gz PLBKAQUAJNOABM-LJQANCHMSA-N 1 1 333.476 3.296 50 0 EGAAMO CO[C@@H]1CC[C@@]2(OC)CC[N@@H+](Cc3cccc4cnccc43)[C@H]2C1 ZINC000426580782 257962361 /nfs/dbraw/zinc/96/23/61/257962361.db2.gz NNZAIOFWRAVFGR-YZGWKJHDSA-N 1 1 326.440 3.393 50 0 EGAAMO CO[C@]12CC[N@@H+](Cc3ncsc3C)[C@H]1C[C@@H](OCC1CC1)CC2 ZINC000299770480 258083483 /nfs/dbraw/zinc/08/34/83/258083483.db2.gz UPIDXDYIELHFPU-RYQLBKOJSA-N 1 1 336.501 3.390 50 0 EGAAMO O=C(C1CCOCC1)N1CC[C@H]2[C@H](CCC[N@H+]2C[C@H]2CC=CCC2)C1 ZINC000299772462 258084560 /nfs/dbraw/zinc/08/45/60/258084560.db2.gz YOKQNWGLVQSURV-SXLOBPIMSA-N 1 1 346.515 3.082 50 0 EGAAMO CCc1ocnc1C(=O)NC[C@H](c1ccc(Cl)cc1)[NH+]1CCCC1 ZINC000299778171 258087791 /nfs/dbraw/zinc/08/77/91/258087791.db2.gz IJXIAKKBCVLNEJ-OAHLLOKOSA-N 1 1 347.846 3.457 50 0 EGAAMO CO[C@]12CC[N@H+](Cc3cccc(C(F)(F)F)c3F)[C@H]1C[C@H](O)CC2 ZINC000299784439 258091980 /nfs/dbraw/zinc/09/19/80/258091980.db2.gz HICKFGOGUAZMOC-IVMMDQJWSA-N 1 1 347.352 3.349 50 0 EGAAMO CO[C@]12CC[N@@H+](Cc3cccc(C(F)(F)F)c3F)[C@H]1C[C@H](O)CC2 ZINC000299784439 258091981 /nfs/dbraw/zinc/09/19/81/258091981.db2.gz HICKFGOGUAZMOC-IVMMDQJWSA-N 1 1 347.352 3.349 50 0 EGAAMO O=C(CCc1cccc(O)c1)NC[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000299788938 258095143 /nfs/dbraw/zinc/09/51/43/258095143.db2.gz ZAMCUGGANWPTPO-QGZVFWFLSA-N 1 1 330.472 3.096 50 0 EGAAMO COc1cccc([C@H]2CCC[N@H+]2Cc2ccc(OCCO)cc2)c1 ZINC000072479746 258064779 /nfs/dbraw/zinc/06/47/79/258064779.db2.gz AHCGMXYSBSIOGB-HXUWFJFHSA-N 1 1 327.424 3.403 50 0 EGAAMO COCCCC1CCN(C(=O)[C@H](c2ccccc2C)[NH+](C)C)CC1 ZINC000095357521 292313983 /nfs/dbraw/zinc/31/39/83/292313983.db2.gz NQOGLZWQUHLGQL-IBGZPJMESA-N 1 1 332.488 3.263 50 0 EGAAMO O=C1N(CC2CCC2)CCC[C@@]12CC[N@H+](Cc1cccc(O)c1)C2 ZINC000012209062 275021427 /nfs/dbraw/zinc/02/14/27/275021427.db2.gz KZNVQJDTMVRXLK-FQEVSTJZSA-N 1 1 328.456 3.007 50 0 EGAAMO CCN(CC)C(=O)Cn1c(C[NH+]2CCCCCC2)nc2ccccc21 ZINC000011692529 276090899 /nfs/dbraw/zinc/09/08/99/276090899.db2.gz IYXJKYUGGDYHDN-UHFFFAOYSA-N 1 1 342.487 3.281 50 0 EGAAMO CC[C@@H]1[C@@H](CO)CC[N@H+]1Cc1cc(-c2ccncc2)ccc1OC ZINC000449428937 310061261 /nfs/dbraw/zinc/06/12/61/310061261.db2.gz UNUQMOJLRZRNNW-IEBWSBKVSA-N 1 1 326.440 3.350 50 0 EGAAMO CC(C)(O)CCc1ccc(C[N@H+]2CCC[C@@H](c3ncc[nH]3)C2)cc1 ZINC000244734650 455277017 /nfs/dbraw/zinc/27/70/17/455277017.db2.gz NJMXBIXNKUHCNP-GOSISDBHSA-N 1 1 327.472 3.493 50 0 EGAAMO Cc1ccc(NC(=O)CC[NH+](C)C[C@H]2CC[N@@H+](C)C2(C)C)cc1F ZINC000244811341 455277101 /nfs/dbraw/zinc/27/71/01/455277101.db2.gz SAURJMXVSSETMF-OAHLLOKOSA-N 1 1 335.467 3.125 50 0 EGAAMO CCN(CC)C(=O)[C@@H]1CCC[N@@H+](Cc2ccc(OC)c(C)c2C)C1 ZINC000000240814 452542728 /nfs/dbraw/zinc/54/27/28/452542728.db2.gz FKHYCKSMEFPWDG-GOSISDBHSA-N 1 1 332.488 3.392 50 0 EGAAMO CCOC(=O)c1ccc(C(=O)c2ccccc2C[NH+]2CC=CC2)cc1 ZINC000002515883 452702489 /nfs/dbraw/zinc/70/24/89/452702489.db2.gz PTITVBREYTVCCX-UHFFFAOYSA-N 1 1 335.403 3.466 50 0 EGAAMO O=C(CCC[NH+]1CCN(c2ccccn2)CC1)c1ccc(F)cc1 ZINC000002596977 452706769 /nfs/dbraw/zinc/70/67/69/452706769.db2.gz XTKDAFGWCDAMPY-UHFFFAOYSA-N 1 1 327.403 3.006 50 0 investigational EGAAMO CCOC(=O)N1CCC([N@@H+]2CCc3c4ccccc4[nH]c3C2)CC1 ZINC000003683466 452785693 /nfs/dbraw/zinc/78/56/93/452785693.db2.gz OWZNGIOVPUYEHU-UHFFFAOYSA-N 1 1 327.428 3.147 50 0 EGAAMO CCOC(=O)N1CCC([N@H+]2CCc3c4ccccc4[nH]c3C2)CC1 ZINC000003683466 452785699 /nfs/dbraw/zinc/78/56/99/452785699.db2.gz OWZNGIOVPUYEHU-UHFFFAOYSA-N 1 1 327.428 3.147 50 0 EGAAMO CCOC(=O)[C@H]1CC2(CCN(Cc3ccccc3)CC2)[N@H+]2CCC[C@H]12 ZINC000004342726 452800128 /nfs/dbraw/zinc/80/01/28/452800128.db2.gz XQKPAWKYOKHCKG-RBUKOAKNSA-N 1 1 342.483 3.069 50 0 EGAAMO O=C1C[C@H](Nc2ccc([NH+]3CCCCC3)cc2)C(=O)N1C1CCCC1 ZINC000005016102 452831520 /nfs/dbraw/zinc/83/15/20/452831520.db2.gz REPNIPZMOIRGAY-SFHVURJKSA-N 1 1 341.455 3.159 50 0 EGAAMO Cc1noc(C)c1CCC(=O)N[C@H]1CCC[N@@H+](CC2CCCCC2)C1 ZINC000012386577 453359190 /nfs/dbraw/zinc/35/91/90/453359190.db2.gz GNLNOLGSQNXIQP-SFHVURJKSA-N 1 1 347.503 3.385 50 0 EGAAMO COc1cc(C[NH+]2CCN(c3ccccc3)CC2)cc(OC)c1OC ZINC000012628911 453385220 /nfs/dbraw/zinc/38/52/20/453385220.db2.gz OYFVQQQXNFHQGC-UHFFFAOYSA-N 1 1 342.439 3.035 50 0 EGAAMO CN(C(=O)CCc1ccco1)[C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000012715189 453393181 /nfs/dbraw/zinc/39/31/81/453393181.db2.gz FUTKDFFRVQZCFV-LJQANCHMSA-N 1 1 340.467 3.378 50 0 EGAAMO COCCN1CCC[C@]2(CC[N@@H+](Cc3cccc4cccnc43)C2)C1 ZINC000015069258 453554294 /nfs/dbraw/zinc/55/42/94/453554294.db2.gz SIWUTPCICILCTH-NRFANRHFSA-N 1 1 339.483 3.169 50 0 EGAAMO C[NH+]1CCN(CC(=O)N2c3ccccc3Sc3ccccc32)CC1 ZINC000019589986 453657789 /nfs/dbraw/zinc/65/77/89/453657789.db2.gz WAKXCWMEVYLRRN-UHFFFAOYSA-N 1 1 339.464 3.063 50 0 EGAAMO CCC[N@@H+]1CC(=O)N(c2cccc(OC)c2)C[C@@H]1Cc1ccccc1 ZINC000082137871 453926025 /nfs/dbraw/zinc/92/60/25/453926025.db2.gz SEMDUBDBBLBHGV-IBGZPJMESA-N 1 1 338.451 3.365 50 0 EGAAMO CCC[N@H+]1CC(=O)N(c2cccc(OC)c2)C[C@@H]1Cc1ccccc1 ZINC000082137871 453926029 /nfs/dbraw/zinc/92/60/29/453926029.db2.gz SEMDUBDBBLBHGV-IBGZPJMESA-N 1 1 338.451 3.365 50 0 EGAAMO Cc1cc(C)n([C@H]2CC[N@@H+](Cc3c[nH]nc3-c3ccc(F)cc3)C2)n1 ZINC000067459496 453933028 /nfs/dbraw/zinc/93/30/28/453933028.db2.gz BTXCIUVHNQKWRL-SFHVURJKSA-N 1 1 339.418 3.476 50 0 EGAAMO CC(C)c1[nH+]ccn1CCCNC(=O)c1ccc(NC2CCC2)nc1 ZINC000067588594 453946075 /nfs/dbraw/zinc/94/60/75/453946075.db2.gz XPXCNHHTKGFAGH-UHFFFAOYSA-N 1 1 341.459 3.186 50 0 EGAAMO O=C(NCC1=CC[N@@H+](CCCF)CC1)C12CC3CC(CC(C3)C1)C2 ZINC000067878892 453976392 /nfs/dbraw/zinc/97/63/92/453976392.db2.gz JKFSOUHOVIGUKY-UHFFFAOYSA-N 1 1 334.479 3.311 50 0 EGAAMO Cc1ccnc(C[C@H](C)[N@@H+](C)Cc2cc3ccc(F)cc3[nH]c2=O)c1 ZINC000055327865 453976504 /nfs/dbraw/zinc/97/65/04/453976504.db2.gz XJLIUBDNWDSJDA-AWEZNQCLSA-N 1 1 339.414 3.434 50 0 EGAAMO Cc1ccc(C[N@H+]2CC[C@@H](c3ccc4c(c3)OCO4)[C@H](O)C2)cc1C ZINC000067884780 453976874 /nfs/dbraw/zinc/97/68/74/453976874.db2.gz QVLLCNZXORSZRP-RBUKOAKNSA-N 1 1 339.435 3.383 50 0 EGAAMO CC(C)c1csc(C[N@H+]2CC[C@@]3(C2)CCCN(CC2CC2)C3=O)n1 ZINC000055343794 453977658 /nfs/dbraw/zinc/97/76/58/453977658.db2.gz NZHPLCLAMKGBSX-LJQANCHMSA-N 1 1 347.528 3.491 50 0 EGAAMO Cc1n[nH]c(C)c1Sc1ccccc1NC(=O)C[NH+]1CCCC1 ZINC000055386412 453979758 /nfs/dbraw/zinc/97/97/58/453979758.db2.gz FWDHHHNKHXVNAT-UHFFFAOYSA-N 1 1 330.457 3.212 50 0 EGAAMO Cc1ccoc1C(=O)NC[C@H]1CCC[N@@H+](Cc2nccn2C(C)C)C1 ZINC000067965816 453985150 /nfs/dbraw/zinc/98/51/50/453985150.db2.gz CVBZVBLRQUBVLK-MRXNPFEDSA-N 1 1 344.459 3.007 50 0 EGAAMO Cc1ccoc1C(=O)NC[C@H]1CCC[N@H+](Cc2nccn2C(C)C)C1 ZINC000067965816 453985152 /nfs/dbraw/zinc/98/51/52/453985152.db2.gz CVBZVBLRQUBVLK-MRXNPFEDSA-N 1 1 344.459 3.007 50 0 EGAAMO COCOCc1ccccc1[C@@]1(O)CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000095080278 454194264 /nfs/dbraw/zinc/19/42/64/454194264.db2.gz ICWWTOIOUJQNDU-SFTDATJTSA-N 1 1 341.451 3.114 50 0 EGAAMO Cc1cccc([C@@H](C(=O)NCc2ccnc3ccccc23)[NH+](C)C)c1 ZINC000095371692 454198812 /nfs/dbraw/zinc/19/88/12/454198812.db2.gz LCTNVULQUYTRHH-FQEVSTJZSA-N 1 1 333.435 3.462 50 0 EGAAMO CC(C)c1[nH+]ccn1[C@H](C)C(=O)NCc1cccc(N2CCCC2)c1 ZINC000095376331 454199303 /nfs/dbraw/zinc/19/93/03/454199303.db2.gz BTXRQNPTZJBMFS-MRXNPFEDSA-N 1 1 340.471 3.484 50 0 EGAAMO Cc1ccc(C(=O)N2C[C@H]3CC[C@@H]2C[N@@H+](Cc2ccccc2)C3)cn1 ZINC000095368880 454199477 /nfs/dbraw/zinc/19/94/77/454199477.db2.gz GICKNPSOJNCERV-AZUAARDMSA-N 1 1 335.451 3.127 50 0 EGAAMO CCCc1nnc(NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)o1 ZINC000095379742 454199982 /nfs/dbraw/zinc/19/99/82/454199982.db2.gz LUQVJBLLWHNLRQ-UHFFFAOYSA-N 1 1 336.386 3.377 50 0 EGAAMO Cc1nn(C)c2nc(N3CCCC[C@H]3CCn3cc[nH+]c3C)sc12 ZINC000095510063 454225029 /nfs/dbraw/zinc/22/50/29/454225029.db2.gz DWBRAVAVTOBNBU-AWEZNQCLSA-N 1 1 344.488 3.292 50 0 EGAAMO CC(C)(C)OC(=O)N1CCC[C@@]2(C1)C[N@H+](Cc1ccccc1)CCO2 ZINC000095629291 454231566 /nfs/dbraw/zinc/23/15/66/454231566.db2.gz RXAUWISFEYVICK-FQEVSTJZSA-N 1 1 346.471 3.289 50 0 EGAAMO CC(C)(C)OC(=O)N1CCC[C@@]2(C1)C[N@@H+](Cc1ccccc1)CCO2 ZINC000095629291 454231574 /nfs/dbraw/zinc/23/15/74/454231574.db2.gz RXAUWISFEYVICK-FQEVSTJZSA-N 1 1 346.471 3.289 50 0 EGAAMO CNC(=O)C[N@H+]1CCC[C@@H](CCc2ccccc2C(F)(F)F)C1 ZINC000072144089 454272248 /nfs/dbraw/zinc/27/22/48/454272248.db2.gz QDGZTTQWSDERSW-ZDUSSCGKSA-N 1 1 328.378 3.096 50 0 EGAAMO Cc1ccccc1N1CCC[N@@H+](Cc2ccccc2OCCO)CC1 ZINC000072138939 454272663 /nfs/dbraw/zinc/27/26/63/454272663.db2.gz CYZDTVXARAFUES-UHFFFAOYSA-N 1 1 340.467 3.078 50 0 EGAAMO Cc1nc2cc(NC(=O)NCC[N@H+]3CCc4ccccc4C3)ccc2[nH]1 ZINC000096162801 454295667 /nfs/dbraw/zinc/29/56/67/454295667.db2.gz RYGBFUKIRZCHGK-UHFFFAOYSA-N 1 1 349.438 3.051 50 0 EGAAMO Cc1nc2ccc(NC(=O)NCC[N@@H+]3CCc4ccccc4C3)cc2[nH]1 ZINC000096162801 454295677 /nfs/dbraw/zinc/29/56/77/454295677.db2.gz RYGBFUKIRZCHGK-UHFFFAOYSA-N 1 1 349.438 3.051 50 0 EGAAMO Cc1nc2ccc(NC(=O)NCC[N@H+]3CCc4ccccc4C3)cc2[nH]1 ZINC000096162801 454295682 /nfs/dbraw/zinc/29/56/82/454295682.db2.gz RYGBFUKIRZCHGK-UHFFFAOYSA-N 1 1 349.438 3.051 50 0 EGAAMO CCOc1cc(C)c(C[N@@H+]2CCC[C@](O)(CN(C)C)C2)cc1C(C)C ZINC000072436276 454295932 /nfs/dbraw/zinc/29/59/32/454295932.db2.gz IHOXWBYPHWEJRV-NRFANRHFSA-N 1 1 348.531 3.406 50 0 EGAAMO CCOc1cc(C)c(C[N@H+]2CCC[C@](O)(CN(C)C)C2)cc1C(C)C ZINC000072436276 454295935 /nfs/dbraw/zinc/29/59/35/454295935.db2.gz IHOXWBYPHWEJRV-NRFANRHFSA-N 1 1 348.531 3.406 50 0 EGAAMO COc1ccc(CN(C)C(=O)[C@@H]2CCCCC[N@H+]2C)c2cccnc12 ZINC000097099612 454406159 /nfs/dbraw/zinc/40/61/59/454406159.db2.gz AVRHKSDRYXTAQP-KRWDZBQOSA-N 1 1 341.455 3.076 50 0 EGAAMO COc1ccc2[nH]c(C(=O)N3CC([N@H+]4CCCC[C@H]4C)C3)c(C)c2c1 ZINC000097334168 454431818 /nfs/dbraw/zinc/43/18/18/454431818.db2.gz YMDRUOMCDRVYFC-CYBMUJFWSA-N 1 1 341.455 3.184 50 0 EGAAMO Fc1cnccc1N1CCC[C@@H](c2[nH+]ccn2Cc2ccncc2)C1 ZINC000091486494 454442145 /nfs/dbraw/zinc/44/21/45/454442145.db2.gz HDOBVIGALMCPGS-MRXNPFEDSA-N 1 1 337.402 3.245 50 0 EGAAMO CN1CCN([C@H]2CC[N@@H+](CC(c3ccccc3)c3ccccc3)C2)CC1 ZINC000097797544 454445791 /nfs/dbraw/zinc/44/57/91/454445791.db2.gz LGVYQQFDAHBXSO-QFIPXVFZSA-N 1 1 349.522 3.140 50 0 EGAAMO CN(C)C[C@@H]1C[N@H+](Cc2cccc3c4ccccc4oc32)C[C@@H]1CO ZINC000091644531 454454362 /nfs/dbraw/zinc/45/43/62/454454362.db2.gz QSJVMHGQNLKXRP-IAGOWNOFSA-N 1 1 338.451 3.188 50 0 EGAAMO CN(C)C[C@@H]1C[N@@H+](Cc2cccc3c4ccccc4oc32)C[C@@H]1CO ZINC000091644531 454454369 /nfs/dbraw/zinc/45/43/69/454454369.db2.gz QSJVMHGQNLKXRP-IAGOWNOFSA-N 1 1 338.451 3.188 50 0 EGAAMO OCCCC1=NC2=[NH+]C(c3ccccc3)=C[C@H](c3cccs3)N2N1 ZINC000100435534 454465610 /nfs/dbraw/zinc/46/56/10/454465610.db2.gz SXCSIWWRICKRNF-OAHLLOKOSA-N 1 1 338.436 3.191 50 0 EGAAMO COCC[C@]1(CO)CCC[N@@H+](Cc2c[nH]nc2C2CCCCC2)C1 ZINC000091872758 454483261 /nfs/dbraw/zinc/48/32/61/454483261.db2.gz FROBIATYOGETQH-LJQANCHMSA-N 1 1 335.492 3.068 50 0 EGAAMO CCc1[nH]c([C@H]2CC(=O)Nc3n[nH]c(-c4cccs4)c32)c(C)[nH+]1 ZINC000065381032 454555919 /nfs/dbraw/zinc/55/59/19/454555919.db2.gz LJKIVJOTNRZXAI-VIFPVBQESA-N 1 1 327.413 3.206 50 0 EGAAMO Cc1ccsc1C[N@H+]1CC[C@@H](c2ccc3c(c2)OCO3)[C@H](O)C1 ZINC000065432968 454567131 /nfs/dbraw/zinc/56/71/31/454567131.db2.gz QVFBQOHMRJHGFR-LSDHHAIUSA-N 1 1 331.437 3.136 50 0 EGAAMO Cc1cccc2oc(CNC(=O)[C@H](c3cccc(F)c3)[NH+](C)C)nc21 ZINC000065466654 454571244 /nfs/dbraw/zinc/57/12/44/454571244.db2.gz KTDVKBVQJWCNKK-SFHVURJKSA-N 1 1 341.386 3.194 50 0 EGAAMO O[C@@H]1C[N@@H+](Cc2ccc3c(c2)CCO3)CC[C@H]1c1ccc(F)cc1 ZINC000065488106 454575934 /nfs/dbraw/zinc/57/59/34/454575934.db2.gz QMZRBECRFQSDMR-RBUKOAKNSA-N 1 1 327.399 3.111 50 0 EGAAMO CC(C)(C)C[N@H+]1CCN(Cc2nc3ccccc3s2)C[C@H]1CCO ZINC000104353542 454582313 /nfs/dbraw/zinc/58/23/13/454582313.db2.gz NKAJXOAPAOUTRG-OAHLLOKOSA-N 1 1 347.528 3.211 50 0 EGAAMO CSc1cccc(CN2CC[N@@H+](CC=C(C)C)[C@H](CCO)C2)c1 ZINC000104442630 454586660 /nfs/dbraw/zinc/58/66/60/454586660.db2.gz ARPDMQUXPBPPIH-GOSISDBHSA-N 1 1 334.529 3.243 50 0 EGAAMO O=C(NC[C@@H]1CCC[N@H+]2CCCC[C@@H]12)c1cc(-c2cccs2)n[nH]1 ZINC000169681014 454930668 /nfs/dbraw/zinc/93/06/68/454930668.db2.gz KDFCASYVFGRIMK-BBRMVZONSA-N 1 1 344.484 3.133 50 0 EGAAMO Cc1ccc(OC2C[NH+](CCC(=O)N[C@@H](C)c3ccccc3)C2)cc1 ZINC000252482015 455808899 /nfs/dbraw/zinc/80/88/99/455808899.db2.gz CWTPMCDVUYQTOA-KRWDZBQOSA-N 1 1 338.451 3.326 50 0 EGAAMO O=C(C[N@@H+]1CC[C@@]2(O)CCCC[C@H]2C1)Nc1ccc(Cl)cc1F ZINC000252500530 455815316 /nfs/dbraw/zinc/81/53/16/455815316.db2.gz SXHVIQQRBUUFRV-SJCJKPOMSA-N 1 1 340.826 3.045 50 0 EGAAMO O=C(C[N@H+]1CC[C@@]2(O)CCCC[C@H]2C1)Nc1ccc(Cl)cc1F ZINC000252500530 455815319 /nfs/dbraw/zinc/81/53/19/455815319.db2.gz SXHVIQQRBUUFRV-SJCJKPOMSA-N 1 1 340.826 3.045 50 0 EGAAMO CO[C@]12CC[N@H+](Cc3cccc(C(F)(F)F)c3F)[C@H]1C[C@@H](O)CC2 ZINC000299773731 456780151 /nfs/dbraw/zinc/78/01/51/456780151.db2.gz HICKFGOGUAZMOC-DUVNUKRYSA-N 1 1 347.352 3.349 50 0 EGAAMO CO[C@]12CC[N@@H+](Cc3cccc(C(F)(F)F)c3F)[C@H]1C[C@@H](O)CC2 ZINC000299773731 456780158 /nfs/dbraw/zinc/78/01/58/456780158.db2.gz HICKFGOGUAZMOC-DUVNUKRYSA-N 1 1 347.352 3.349 50 0 EGAAMO CCc1ccccc1OCCN(C)C(=O)NC[C@H]1CCCC[N@@H+]1CC ZINC000426429857 457830105 /nfs/dbraw/zinc/83/01/05/457830105.db2.gz SLBHIMLFDJAGPV-GOSISDBHSA-N 1 1 347.503 3.144 50 0 EGAAMO OCCn1ccc([C@@H]2CCC[N@@H+](Cc3ccc(F)c(Cl)c3)C2)n1 ZINC000426589187 457858866 /nfs/dbraw/zinc/85/88/66/457858866.db2.gz YQQOSQOPJNTVFO-CQSZACIVSA-N 1 1 337.826 3.048 50 0 EGAAMO COc1ccnc(C[N@H+]2CC[C@]3(OC)CC[C@@H](OCC4CC4)C[C@H]23)c1 ZINC000426667638 457874399 /nfs/dbraw/zinc/87/43/99/457874399.db2.gz TYDZRCFUVHAWSU-HSALFYBXSA-N 1 1 346.471 3.029 50 0 EGAAMO CC[C@H](NC(=O)N(C)CCn1cc[nH+]c1C)c1nc(C)c(C)s1 ZINC000584894102 459819893 /nfs/dbraw/zinc/81/98/93/459819893.db2.gz QMDBSWNPBHCTMP-AWEZNQCLSA-N 1 1 335.477 3.058 50 0 EGAAMO COc1cc(Cl)c(C[N@H+]2CCC[C@H](c3ncc[nH]3)C2)cc1OC ZINC000637952281 461147874 /nfs/dbraw/zinc/14/78/74/461147874.db2.gz MLLZOHIPHHUNOH-LBPRGKRZSA-N 1 1 335.835 3.460 50 0 EGAAMO COCCc1nc([C@@H]2CCCCC[N@@H+]2C)n(-c2ccc(OC)cc2)n1 ZINC000670460067 548219019 /nfs/dbraw/zinc/21/90/19/548219019.db2.gz VLKCQURWJDHJJR-KRWDZBQOSA-N 1 1 344.459 3.012 50 0 EGAAMO COCCc1nc([C@@H]2CCCCC[N@H+]2C)n(-c2ccc(OC)cc2)n1 ZINC000670460067 548219025 /nfs/dbraw/zinc/21/90/25/548219025.db2.gz VLKCQURWJDHJJR-KRWDZBQOSA-N 1 1 344.459 3.012 50 0 EGAAMO COc1cccc(C(=O)[C@H]2CCC[N@@H+](Cc3cccc(O)c3)C2)c1 ZINC000015072002 1291145331 /nfs/dbraw/zinc/14/53/31/1291145331.db2.gz LCPXLWGZOAAAET-KRWDZBQOSA-N 1 1 325.408 3.496 50 0 EGAAMO Cc1ncc(C[N@H+]2CCC[C@H](Nc3ccc4c(c3)OCCO4)C2)s1 ZINC000055382895 1291781021 /nfs/dbraw/zinc/78/10/21/1291781021.db2.gz ZOYNJNQUXQDJPT-HNNXBMFYSA-N 1 1 345.468 3.299 50 0 EGAAMO CC(C)C[C@@H](Nc1nc(N2CCC(O)CC2)cc[nH+]1)c1cccnc1 ZINC000065506829 1292079835 /nfs/dbraw/zinc/07/98/35/1292079835.db2.gz YLCDNUICJBIKMB-QGZVFWFLSA-N 1 1 341.459 3.032 50 0 EGAAMO Cn1ccnc1[C@H]([NH2+]Cc1cc(=O)c2cccc(Cl)c2[nH]1)C1CC1 ZINC000091664464 1292838123 /nfs/dbraw/zinc/83/81/23/1292838123.db2.gz VCXNIVKNEKEMAD-MRXNPFEDSA-N 1 1 342.830 3.156 50 0 EGAAMO COCC[N@H+]1CCC[C@H](CNc2cc(C)c3ccc(OC)cc3n2)C1 ZINC000824413150 1320256125 /nfs/dbraw/zinc/25/61/25/1320256125.db2.gz KSELFYYUEUTNHS-MRXNPFEDSA-N 1 1 343.471 3.322 50 0 EGAAMO COc1ccc(-n2cccn2)c(C[N@@H+](C)Cc2cnc3ccccn23)c1 ZINC000824629338 1320271861 /nfs/dbraw/zinc/27/18/61/1320271861.db2.gz IGSBGEYLPQATLD-UHFFFAOYSA-N 1 1 347.422 3.161 50 0 EGAAMO O=C(N[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc(Cl)cn1 ZINC000825562198 1320347642 /nfs/dbraw/zinc/34/76/42/1320347642.db2.gz FBWYTQGKXMXEQZ-ZDUSSCGKSA-N 1 1 335.860 3.191 50 0 EGAAMO CC(C)Oc1ccccc1OCC[N@H+]1CCC[C@]2(CCC[C@H]2O)C1 ZINC001704297302 1416432765 /nfs/dbraw/zinc/43/27/65/1416432765.db2.gz LTYKWVZBQLICCT-WOJBJXKFSA-N 1 1 333.472 3.480 50 0 EGAAMO CCCCc1ccc(C[N@H+]2CC[C@@]3(CO)CCCN(C)[C@@H]3C2)cc1 ZINC001704345443 1416450430 /nfs/dbraw/zinc/45/04/30/1416450430.db2.gz YHSJDPPDQHKRQI-NHCUHLMSSA-N 1 1 330.516 3.308 50 0 EGAAMO CCCCc1ccc(CN2CC[C@@]3(CO)CCC[N@H+](C)[C@@H]3C2)cc1 ZINC001704345443 1416450433 /nfs/dbraw/zinc/45/04/33/1416450433.db2.gz YHSJDPPDQHKRQI-NHCUHLMSSA-N 1 1 330.516 3.308 50 0 EGAAMO CCCCc1ccc(CN2CC[C@@]3(CO)CCC[N@@H+](C)[C@@H]3C2)cc1 ZINC001704345443 1416450435 /nfs/dbraw/zinc/45/04/35/1416450435.db2.gz YHSJDPPDQHKRQI-NHCUHLMSSA-N 1 1 330.516 3.308 50 0 EGAAMO CCCCc1ccc(NC(=O)N2CCC3(CC2)C[N@@H+](C)CCO3)cc1 ZINC001772818152 1441417658 /nfs/dbraw/zinc/41/76/58/1441417658.db2.gz NKFGMPVPNQSVAP-UHFFFAOYSA-N 1 1 345.487 3.358 50 0 EGAAMO CCCCOc1cc(F)ccc1-c1ccc(N2CC[NH+](C)CC2)nn1 ZINC000097694784 219048441 /nfs/dbraw/zinc/04/84/41/219048441.db2.gz ZNESSLAPIJLPHA-UHFFFAOYSA-N 1 1 344.434 3.213 50 0 EGAAMO Cc1nc([C@H]2CCCN2Cc2cc(C[NH+]3CCCCC3)cs2)n[nH]1 ZINC000097696309 219048666 /nfs/dbraw/zinc/04/86/66/219048666.db2.gz USLDWVGQLKEATC-QGZVFWFLSA-N 1 1 345.516 3.498 50 0 EGAAMO CC(C)(C)C[N@H+]1CCN(Cc2ccc3ncccc3c2)C[C@H]1CCO ZINC000104384861 219382437 /nfs/dbraw/zinc/38/24/37/219382437.db2.gz ODXAORPGZUTELJ-LJQANCHMSA-N 1 1 341.499 3.150 50 0 EGAAMO Cc1ccc(C[NH+]2CCN(C(=O)COc3ccc(C)cc3)CC2)cc1 ZINC000019842090 202023674 /nfs/dbraw/zinc/02/36/74/202023674.db2.gz FYAMQQKKJKCQLA-UHFFFAOYSA-N 1 1 338.451 3.027 50 0 EGAAMO COc1ccccc1[C@@]1(CCN2CC[NH+](C)CC2)CCOC(C)(C)C1 ZINC000019939730 202028370 /nfs/dbraw/zinc/02/83/70/202028370.db2.gz QNMAVQSYYBCKDZ-NRFANRHFSA-N 1 1 346.515 3.160 50 0 EGAAMO OCC[C@H]1CN(Cc2cc(F)cc(F)c2)CC[N@H+]1Cc1ccccc1 ZINC000020255517 202036256 /nfs/dbraw/zinc/03/62/56/202036256.db2.gz SEGDYFOCENJWMD-FQEVSTJZSA-N 1 1 346.421 3.034 50 0 EGAAMO Fc1ccc(C[C@@H]2C[N@H+](Cc3ccc4c(c3)CCO4)CCO2)cc1 ZINC000020513995 202046556 /nfs/dbraw/zinc/04/65/56/202046556.db2.gz FPGITSKMRLMPBO-LJQANCHMSA-N 1 1 327.399 3.204 50 0 EGAAMO Fc1ccc(C[C@@H]2C[N@@H+](Cc3ccc4c(c3)CCO4)CCO2)cc1 ZINC000020513995 202046559 /nfs/dbraw/zinc/04/65/59/202046559.db2.gz FPGITSKMRLMPBO-LJQANCHMSA-N 1 1 327.399 3.204 50 0 EGAAMO OCC[C@H]1CN(Cc2ccc3ncccc3c2)CC[N@H+]1C1CCCC1 ZINC000020535666 202047874 /nfs/dbraw/zinc/04/78/74/202047874.db2.gz AQKZRNRUTBAAAY-FQEVSTJZSA-N 1 1 339.483 3.046 50 0 EGAAMO CCOc1ccc([C@@H](O)[C@H](C[NH+]2CCOCC2)c2ccccc2)cc1 ZINC000020791878 202055505 /nfs/dbraw/zinc/05/55/05/202055505.db2.gz RTHRSTWGVRVJQO-NHCUHLMSSA-N 1 1 341.451 3.235 50 0 EGAAMO Cc1oc(-c2ccc(Cl)cc2)nc1C[N@H+](C)C[C@@H]1COCCO1 ZINC000020858726 202056099 /nfs/dbraw/zinc/05/60/99/202056099.db2.gz TWEQASDGEFKYBK-OAHLLOKOSA-N 1 1 336.819 3.151 50 0 EGAAMO Cc1oc(-c2ccc(Cl)cc2)nc1C[N@@H+](C)C[C@@H]1COCCO1 ZINC000020858726 202056100 /nfs/dbraw/zinc/05/61/00/202056100.db2.gz TWEQASDGEFKYBK-OAHLLOKOSA-N 1 1 336.819 3.151 50 0 EGAAMO Cc1ccc(CN2CC[N@@H+](CCCc3ccccc3)[C@@H](CCO)C2)o1 ZINC000020600660 202050282 /nfs/dbraw/zinc/05/02/82/202050282.db2.gz AUVQFHKTLBAHMD-FQEVSTJZSA-N 1 1 342.483 3.089 50 0 EGAAMO C[N@H+]1CCN(Cc2ccc(-c3cccc(Cl)c3)o2)C[C@@H]1CCO ZINC000020598346 202050475 /nfs/dbraw/zinc/05/04/75/202050475.db2.gz GHZDIHIOVHHDEW-INIZCTEOSA-N 1 1 334.847 3.098 50 0 EGAAMO CN1CC[N@H+](Cc2ccc(-c3cccc(Cl)c3)o2)C[C@@H]1CCO ZINC000020598346 202050479 /nfs/dbraw/zinc/05/04/79/202050479.db2.gz GHZDIHIOVHHDEW-INIZCTEOSA-N 1 1 334.847 3.098 50 0 EGAAMO CN1CC[N@@H+](Cc2ccc(-c3cccc(Cl)c3)o2)C[C@@H]1CCO ZINC000020598346 202050482 /nfs/dbraw/zinc/05/04/82/202050482.db2.gz GHZDIHIOVHHDEW-INIZCTEOSA-N 1 1 334.847 3.098 50 0 EGAAMO CN1CC[NH+](CCOCCOc2ccc3ccccc3c2Cl)CC1 ZINC000020639264 202052352 /nfs/dbraw/zinc/05/23/52/202052352.db2.gz FQSBNPDEOIALSA-UHFFFAOYSA-N 1 1 348.874 3.136 50 0 EGAAMO CC(=O)c1cccc(CN2CC[N@H+](C3CCCCC3)[C@H](CCO)C2)c1 ZINC000022852468 202093854 /nfs/dbraw/zinc/09/38/54/202093854.db2.gz XXORDKCJFKHMQI-OAQYLSRUSA-N 1 1 344.499 3.091 50 0 EGAAMO CC(C)CC[N@H+]1CCN(Cc2c(F)cccc2Cl)C[C@@H]1CCO ZINC000022932868 202095286 /nfs/dbraw/zinc/09/52/86/202095286.db2.gz WUHILZDUPLNMOU-HNNXBMFYSA-N 1 1 342.886 3.394 50 0 EGAAMO C[C@@H](c1nnc(-c2cccs2)o1)[NH+]1CCC(c2cc[nH]n2)CC1 ZINC000058209486 201141917 /nfs/dbraw/zinc/14/19/17/201141917.db2.gz AFFFBZQDBKDANB-NSHDSACASA-N 1 1 329.429 3.462 50 0 EGAAMO COc1c(C[NH2+][C@H]2CCOc3c(C)cccc32)c(C(C)C)nn1C ZINC000058428958 201143378 /nfs/dbraw/zinc/14/33/78/201143378.db2.gz URLWHICGTKMDRB-INIZCTEOSA-N 1 1 329.444 3.474 50 0 EGAAMO Cc1ccc(NC[C@H]2CCN(c3ncnc4sccc43)C2)[nH+]c1 ZINC000097200948 201382363 /nfs/dbraw/zinc/38/23/63/201382363.db2.gz VMOSWWCPXMYDLZ-CYBMUJFWSA-N 1 1 325.441 3.333 50 0 EGAAMO COc1ccc(C[N@@H+](C)Cc2ccc(C)s2)cc1Cn1cncn1 ZINC000215080689 241104734 /nfs/dbraw/zinc/10/47/34/241104734.db2.gz UZZBMWAYAYOLLY-UHFFFAOYSA-N 1 1 342.468 3.337 50 0 EGAAMO COc1ccc(C[N@@H+](C)[C@H]2CCOC(C)(C)C2)cc1Cn1cccn1 ZINC000215211972 241112348 /nfs/dbraw/zinc/11/23/48/241112348.db2.gz ULEOBWMKHAGZOY-SFHVURJKSA-N 1 1 343.471 3.329 50 0 EGAAMO O=C1NC[C@]2(CCC[N@@H+](Cc3cnc(-c4ccccc4)s3)CC2)O1 ZINC000215850454 241150724 /nfs/dbraw/zinc/15/07/24/241150724.db2.gz MPDJEHVSCUGCAD-GOSISDBHSA-N 1 1 343.452 3.275 50 0 EGAAMO Cc1nc2ccc(CNC(=O)CCC(=O)c3ccc(F)cc3)cc2[nH]1 ZINC000215510228 241127851 /nfs/dbraw/zinc/12/78/51/241127851.db2.gz KCXGLRWEDMUHBS-UHFFFAOYSA-N 1 1 339.370 3.290 50 0 EGAAMO c1ccc(C2=NO[C@@H](CN3CCC[N@H+](C4CCCC4)CC3)C2)cc1 ZINC000243893647 243029702 /nfs/dbraw/zinc/02/97/02/243029702.db2.gz ASYHSUCWYXFYJU-LJQANCHMSA-N 1 1 327.472 3.130 50 0 EGAAMO O=C(Cc1ccsc1)NCC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000244601763 243041253 /nfs/dbraw/zinc/04/12/53/243041253.db2.gz DRLCYPFZMKYBTK-QGZVFWFLSA-N 1 1 328.481 3.319 50 0 EGAAMO COc1ccc(-c2nc(C[N@@H+]3CCC[C@@H](O)C3)c(C)o2)c(C)c1C ZINC000071749248 203106687 /nfs/dbraw/zinc/10/66/87/203106687.db2.gz YIUYOLIRFKKQMY-OAHLLOKOSA-N 1 1 330.428 3.232 50 0 EGAAMO COc1ccc(-c2nc(C[N@H+]3CCC[C@@H](O)C3)c(C)o2)c(C)c1C ZINC000071749248 203106690 /nfs/dbraw/zinc/10/66/90/203106690.db2.gz YIUYOLIRFKKQMY-OAHLLOKOSA-N 1 1 330.428 3.232 50 0 EGAAMO COC[C@@H]1CC[N@@H+](Cc2nc(-c3ccc(OC)cc3F)oc2C)C1 ZINC000071747566 203107028 /nfs/dbraw/zinc/10/70/28/203107028.db2.gz SWWZAYFEWZCNAY-CYBMUJFWSA-N 1 1 334.391 3.266 50 0 EGAAMO COc1ccc(-c2nc(C[N@H+]3CCC[C@](C)(O)C3)c(C)o2)c(F)c1 ZINC000071763473 203110628 /nfs/dbraw/zinc/11/06/28/203110628.db2.gz PWIQJPIVZHPKAC-SFHVURJKSA-N 1 1 334.391 3.145 50 0 EGAAMO CC(C)C(=O)N1C[C@H](c2cccc(F)c2F)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000072153607 203174563 /nfs/dbraw/zinc/17/45/63/203174563.db2.gz KFUCJSHOUWELQI-ZTFGCOKTSA-N 1 1 334.410 3.009 50 0 EGAAMO CN(C)c1ccc(C[N@H+]2CCC[C@@H](Cc3nc4ccccc4[nH]3)C2)cn1 ZINC000072163705 203177430 /nfs/dbraw/zinc/17/74/30/203177430.db2.gz LYTBYVSZYIQYIQ-INIZCTEOSA-N 1 1 349.482 3.479 50 0 EGAAMO Cc1c2cc(C)ccc2oc1C[N@H+]1CC[C@H]2[NH2+]CCC[C@]2(C(=O)[O-])C1 ZINC000072173986 203182678 /nfs/dbraw/zinc/18/26/78/203182678.db2.gz FKCBJZKLLNNKTO-QUCCMNQESA-N 1 1 342.439 3.078 50 0 EGAAMO Cc1[nH]c2c(cccc2C[N@@H+]2CCC[C@]3(CN(C)C(=O)O3)C2)c1C ZINC000072458408 203227680 /nfs/dbraw/zinc/22/76/80/203227680.db2.gz IHQLRBCPIIEWHP-IBGZPJMESA-N 1 1 327.428 3.201 50 0 EGAAMO CN1C[C@@]2(CC[N@@H+](Cc3ccc4c(c3)Cc3ccccc3-4)C2)OC1=O ZINC000072470191 203228903 /nfs/dbraw/zinc/22/89/03/203228903.db2.gz SOJAHYKQLNHTDL-OAQYLSRUSA-N 1 1 334.419 3.284 50 0 EGAAMO CC(=O)c1c(C)cc(C)c(C[N@@H+]2CCC[C@@]3(CN(C)C(=O)O3)C2)c1C ZINC000072408395 203215972 /nfs/dbraw/zinc/21/59/72/203215972.db2.gz JBLQMEMOPRMMJE-HXUWFJFHSA-N 1 1 344.455 3.231 50 0 EGAAMO Cn1ccnc1[C@@H]([NH2+]Cc1cc(=O)c2cccc(Cl)c2[nH]1)C1CC1 ZINC000091664465 203645711 /nfs/dbraw/zinc/64/57/11/203645711.db2.gz VCXNIVKNEKEMAD-INIZCTEOSA-N 1 1 342.830 3.156 50 0 EGAAMO Cn1cnnc1C1CC[NH+](Cc2ccccc2OC(F)(F)F)CC1 ZINC000130600592 205247595 /nfs/dbraw/zinc/24/75/95/205247595.db2.gz KVYLWHFKOFPHSN-UHFFFAOYSA-N 1 1 340.349 3.093 50 0 EGAAMO CC[C@@H]1CCCC[N@H+]1C[C@@H](O)COc1ccc2c(C)cc(=O)oc2c1 ZINC000011990923 207054630 /nfs/dbraw/zinc/05/46/30/207054630.db2.gz VWTJHCNAEQPSPB-HZPDHXFCSA-N 1 1 345.439 3.106 50 0 EGAAMO CCCNC(=O)C[N@@H+]1CC[C@]2(O)CCCC[C@H]2[C@H]1c1ccc(F)cc1 ZINC000245313024 258000120 /nfs/dbraw/zinc/00/01/20/258000120.db2.gz YYQWSSHRVKGXIT-DFQSSKMNSA-N 1 1 348.462 3.020 50 0 EGAAMO CCCNC(=O)C[N@H+]1CC[C@]2(O)CCCC[C@H]2[C@H]1c1ccc(F)cc1 ZINC000245313024 258000122 /nfs/dbraw/zinc/00/01/22/258000122.db2.gz YYQWSSHRVKGXIT-DFQSSKMNSA-N 1 1 348.462 3.020 50 0 EGAAMO COc1ccc(C(=O)CN2c3ccccc3N3CCCC[NH+]=C23)cc1 ZINC000334163548 258015947 /nfs/dbraw/zinc/01/59/47/258015947.db2.gz WRHYMQAGDQJQHZ-UHFFFAOYSA-N 1 1 335.407 3.354 50 0 EGAAMO Cc1nnc(C[N@@H+]2CCC[C@H](c3nc4c(cccc4C)[nH]3)C2)s1 ZINC000299762815 258079821 /nfs/dbraw/zinc/07/98/21/258079821.db2.gz YPQQMKIHMIZSIA-ZDUSSCGKSA-N 1 1 327.457 3.411 50 0 EGAAMO Cc1nnc(C[N@H+]2CCC[C@H](c3nc4c(cccc4C)[nH]3)C2)s1 ZINC000299762815 258079822 /nfs/dbraw/zinc/07/98/22/258079822.db2.gz YPQQMKIHMIZSIA-ZDUSSCGKSA-N 1 1 327.457 3.411 50 0 EGAAMO C[C@H]1CCC[N@@H+](CCC(=O)N2CCN(c3ccc(Cl)cc3)CC2)C1 ZINC000020537996 135721490 /nfs/dbraw/zinc/72/14/90/135721490.db2.gz MRVQMMNASOYMIX-INIZCTEOSA-N 1 1 349.906 3.111 50 0 EGAAMO COc1ccccc1C[N@H+]1CCC[C@@H](CNC(=O)c2cccs2)C1 ZINC000011770912 274157346 /nfs/dbraw/zinc/15/73/46/274157346.db2.gz LSKRKGOOBXTFDL-HNNXBMFYSA-N 1 1 344.480 3.399 50 0 EGAAMO C[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2cccc(Cl)c2)N3)C1 ZINC000005274686 277187349 /nfs/dbraw/zinc/18/73/49/277187349.db2.gz AXSAWZLICFHXOK-AWEZNQCLSA-N 1 1 333.844 3.244 50 0 EGAAMO C[N@H+]1CCc2c(sc3c2C(=O)N[C@H](c2cccc(Cl)c2)N3)C1 ZINC000005274686 277187350 /nfs/dbraw/zinc/18/73/50/277187350.db2.gz AXSAWZLICFHXOK-AWEZNQCLSA-N 1 1 333.844 3.244 50 0 EGAAMO Cc1ccc2[nH]c(=O)c(C[NH+]3CCOCC3)c(-c3ccccc3)c2c1 ZINC000017139035 281023544 /nfs/dbraw/zinc/02/35/44/281023544.db2.gz XDVBDTJBBIHXLE-UHFFFAOYSA-N 1 1 334.419 3.336 50 0 EGAAMO CCOc1ccccc1C[N@H+]1CCC[C@@H](C(=O)N2CCCCC2)C1 ZINC000000212341 452537192 /nfs/dbraw/zinc/53/71/92/452537192.db2.gz WZNXWRUGVYPQAF-GOSISDBHSA-N 1 1 330.472 3.310 50 0 EGAAMO CCOc1ccccc1N1CC[NH+](Cc2ccc(OC)c(O)c2)CC1 ZINC000000294392 452556511 /nfs/dbraw/zinc/55/65/11/452556511.db2.gz GZCBFHNZZXOBJH-UHFFFAOYSA-N 1 1 342.439 3.122 50 0 EGAAMO CCOC(=O)c1ccc2c(c1)[C@@H]1C[N@H+](C)CC[C@@H]1N2CC(F)(F)F ZINC000002472910 452700690 /nfs/dbraw/zinc/70/06/90/452700690.db2.gz WEHWZLFXMFRHBE-ZFWWWQNUSA-N 1 1 342.361 3.033 50 0 EGAAMO CC[N@H+]1CC[C@@](O)(c2ccc(F)cc2)[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000004452428 452803708 /nfs/dbraw/zinc/80/37/08/452803708.db2.gz BYIGBTSEDRHFEO-AZUAARDMSA-N 1 1 345.389 3.377 50 0 EGAAMO COc1ccc(OC)c(CN2CCC([N@H+]3CCC[C@H](C)C3)CC2)c1 ZINC000004745652 452817181 /nfs/dbraw/zinc/81/71/81/452817181.db2.gz FJQPONIXXJOYOL-INIZCTEOSA-N 1 1 332.488 3.400 50 0 EGAAMO CCCCN1C(=O)C[C@H](Nc2ccc([NH+]3CCCCC3)cc2)C1=O ZINC000004810013 452818191 /nfs/dbraw/zinc/81/81/91/452818191.db2.gz PHJDIDRRGPXIQM-KRWDZBQOSA-N 1 1 329.444 3.016 50 0 EGAAMO CC[C@@H](C)[C@H]([NH3+])c1nnc(SCC(=O)Nc2c(C)cccc2C)o1 ZINC000005072038 452836470 /nfs/dbraw/zinc/83/64/70/452836470.db2.gz GMRGYTDSFRWPLC-YGRLFVJLSA-N 1 1 348.472 3.463 50 0 EGAAMO CCc1ccc(O[C@H](C)C(=O)NC[C@@H](c2ccco2)[NH+](C)C)cc1 ZINC000009531149 453255547 /nfs/dbraw/zinc/25/55/47/453255547.db2.gz RGAGILNWDBNRHM-PBHICJAKSA-N 1 1 330.428 3.028 50 0 EGAAMO C[N@@H+](Cc1nc(Cc2ccccc2Cl)no1)CC1CCOCC1 ZINC000011813507 453335412 /nfs/dbraw/zinc/33/54/12/453335412.db2.gz WAKSCAGEXBZSLK-UHFFFAOYSA-N 1 1 335.835 3.172 50 0 EGAAMO C[N@H+](Cc1nc(Cc2ccccc2Cl)no1)CC1CCOCC1 ZINC000011813507 453335415 /nfs/dbraw/zinc/33/54/15/453335415.db2.gz WAKSCAGEXBZSLK-UHFFFAOYSA-N 1 1 335.835 3.172 50 0 EGAAMO Cc1nc[nH]c1C[NH2+]Cc1cccnc1Oc1ccc(F)cc1F ZINC000011816696 453335919 /nfs/dbraw/zinc/33/59/19/453335919.db2.gz RDANZDRTMHELDY-UHFFFAOYSA-N 1 1 330.338 3.473 50 0 EGAAMO CCn1cc(C[N@H+]2CCC[C@@H](C(=O)c3cccc(OC)c3)C2)c(C)n1 ZINC000011951929 453339495 /nfs/dbraw/zinc/33/94/95/453339495.db2.gz HOXQPKMFMSGWKJ-QGZVFWFLSA-N 1 1 341.455 3.315 50 0 EGAAMO C[C@H]1C[N@@H+](CCC(=O)NCCc2cccs2)Cc2ccccc2O1 ZINC000012159270 453346608 /nfs/dbraw/zinc/34/66/08/453346608.db2.gz LQPWPKOFXXCDSO-HNNXBMFYSA-N 1 1 344.480 3.080 50 0 EGAAMO C[C@@H]1C[NH+](C[C@@H](O)COc2ccc(-c3ccccc3)cc2)C[C@@H](C)O1 ZINC000017246972 453631813 /nfs/dbraw/zinc/63/18/13/453631813.db2.gz AOJZWBFZAWYLFD-MBOZVWFJSA-N 1 1 341.451 3.203 50 0 EGAAMO CCOc1ccc(CN2CC[N@@H+](CC(C)(C)C)[C@H](CCO)C2)cc1 ZINC000039442683 453944057 /nfs/dbraw/zinc/94/40/57/453944057.db2.gz BQZALIBEMYYYLA-GOSISDBHSA-N 1 1 334.504 3.000 50 0 EGAAMO Cc1ccc(C(=O)NCC[C@@H]2C[N@H+](C3CCCC3)CCO2)c(C)c1 ZINC000067674110 453955233 /nfs/dbraw/zinc/95/52/33/453955233.db2.gz ZSNRTWWCFUBTRS-GOSISDBHSA-N 1 1 330.472 3.067 50 0 EGAAMO CN(C)c1nc(Cl)c(-c2nccn2CC[C@H]2CCC[N@H+]2C)s1 ZINC000067740227 453961397 /nfs/dbraw/zinc/96/13/97/453961397.db2.gz QONBFNJQULUXCG-LLVKDONJSA-N 1 1 339.896 3.210 50 0 EGAAMO C[C@@H](CCO)[NH2+]Cc1nc(-c2cccc(F)c2)c(-c2ccccn2)[nH]1 ZINC000067757900 453963553 /nfs/dbraw/zinc/96/35/53/453963553.db2.gz VEVMTTBFDUDJBV-ZDUSSCGKSA-N 1 1 340.402 3.138 50 0 EGAAMO CC(=O)NC[C@H]1CCC[N@@H+](Cc2[nH]c3c(cccc3Cl)c2C)C1 ZINC000067789823 453966521 /nfs/dbraw/zinc/96/65/21/453966521.db2.gz LOUVXBCRSZLADY-CQSZACIVSA-N 1 1 333.863 3.478 50 0 EGAAMO O=C(NC[C@@H]1CC[N@H+](Cc2nc3ccccc3[nH]2)C1)C1CCCCC1 ZINC000067804494 453967916 /nfs/dbraw/zinc/96/79/16/453967916.db2.gz YDIJLGDRYSCXAP-HNNXBMFYSA-N 1 1 340.471 3.081 50 0 EGAAMO O=C(NC[C@@H]1CC[N@@H+](Cc2nc3ccccc3[nH]2)C1)C1CCCCC1 ZINC000067804494 453967918 /nfs/dbraw/zinc/96/79/18/453967918.db2.gz YDIJLGDRYSCXAP-HNNXBMFYSA-N 1 1 340.471 3.081 50 0 EGAAMO c1cc2n(c1)-c1cc3c(cc1C[NH2+][C@H]2c1ccc2c(c1)OCO2)OCO3 ZINC000055231388 453971100 /nfs/dbraw/zinc/97/11/00/453971100.db2.gz IKDYMXDTZYMASS-FQEVSTJZSA-N 1 1 348.358 3.127 50 0 EGAAMO CCc1[nH+]ccn1CCC(=O)Nc1cc2c(C)cc(=O)oc2cc1C ZINC000055269550 453973495 /nfs/dbraw/zinc/97/34/95/453973495.db2.gz IJHGIVVLHYLFFN-UHFFFAOYSA-N 1 1 339.395 3.198 50 0 EGAAMO CCCc1nc(CNC(=O)[C@@H]2CCC[N@@H+](Cc3ccco3)C2)cs1 ZINC000055284684 453974027 /nfs/dbraw/zinc/97/40/27/453974027.db2.gz UDQVMXDVQYAPAK-CQSZACIVSA-N 1 1 347.484 3.217 50 0 EGAAMO CC[C@H](CO)[N@@H+](Cc1ccc(-c2cc[nH]n2)s1)Cc1cccnc1 ZINC000055369176 453978486 /nfs/dbraw/zinc/97/84/86/453978486.db2.gz POSHBYJHIAQKNX-OAHLLOKOSA-N 1 1 342.468 3.306 50 0 EGAAMO Cc1ccccc1C[N@H+]1CC[C@@H](CNC(=O)c2ccncc2Cl)C1 ZINC000067965719 453984780 /nfs/dbraw/zinc/98/47/80/453984780.db2.gz ZKOAUJBOTZOCDW-HNNXBMFYSA-N 1 1 343.858 3.295 50 0 EGAAMO C[N@H+]1CCCC[C@@H]1CCC(=O)NC1CCN(c2ccc(F)cc2)CC1 ZINC000095361632 454196727 /nfs/dbraw/zinc/19/67/27/454196727.db2.gz TYNIWWJIASWJAZ-GOSISDBHSA-N 1 1 347.478 3.175 50 0 EGAAMO C[NH+](C)[C@@H](C(=O)N1CCC(c2ccncc2)CC1)c1ccc(F)cc1 ZINC000095366478 454196755 /nfs/dbraw/zinc/19/67/55/454196755.db2.gz UHQLRMNSBUVGLN-LJQANCHMSA-N 1 1 341.430 3.230 50 0 EGAAMO CC(C)c1[nH+]ccn1[C@H](C)C(=O)N1CCC(CCn2cccn2)CC1 ZINC000095387695 454199881 /nfs/dbraw/zinc/19/98/81/454199881.db2.gz PTSYJSCNQCKMPC-MRXNPFEDSA-N 1 1 343.475 3.093 50 0 EGAAMO Cc1c[nH+]c(N2CCO[C@H](c3ccc(Cl)c(Cl)c3)C2)nc1N ZINC000071551871 454208906 /nfs/dbraw/zinc/20/89/06/454208906.db2.gz LFAPBVJGJMALSK-ZDUSSCGKSA-N 1 1 339.226 3.252 50 0 EGAAMO Cc1nc(CCNC(=O)[C@@H](C)n2cc[nH+]c2C(C)C)sc1Cl ZINC000095496696 454221383 /nfs/dbraw/zinc/22/13/83/454221383.db2.gz ZUNGOONMCWASTA-LLVKDONJSA-N 1 1 340.880 3.345 50 0 EGAAMO Cc1nc2c(c(NCC[C@H]3CCC[N@@H+]3C)n1)Cc1ccccc1OC2 ZINC000095521377 454226168 /nfs/dbraw/zinc/22/61/68/454226168.db2.gz NTQIXLYSIAEZBX-MRXNPFEDSA-N 1 1 338.455 3.164 50 0 EGAAMO OC[C@@]1(CC2CC2)CCC[N@@H+](Cc2ccc(C(F)(F)F)nc2)C1 ZINC000091547017 454445243 /nfs/dbraw/zinc/44/52/43/454445243.db2.gz PDMQMGFMANGKNZ-MRXNPFEDSA-N 1 1 328.378 3.475 50 0 EGAAMO Cc1ncsc1C(=O)N1C[C@H]2CC[C@H](C[N@@H+]2Cc2ccccc2)C1 ZINC000091586870 454447590 /nfs/dbraw/zinc/44/75/90/454447590.db2.gz CYIHNEJFUQEPAE-IAGOWNOFSA-N 1 1 341.480 3.188 50 0 EGAAMO CC(C)N1CCC[C@@]2(CC[N@@H+](CCCOCc3ccccc3)C2)C1=O ZINC000091620327 454450071 /nfs/dbraw/zinc/45/00/71/454450071.db2.gz PNWGYTOVSSONGK-NRFANRHFSA-N 1 1 344.499 3.316 50 0 EGAAMO COCCN(Cc1ccccc1C)C(=O)CC[C@@H]1CCC[N@@H+](C)C1 ZINC000091663959 454454018 /nfs/dbraw/zinc/45/40/18/454454018.db2.gz LSLKXRNHBAPIGC-SFHVURJKSA-N 1 1 332.488 3.092 50 0 EGAAMO Cc1cnc(C)c(N2CCC(c3[nH+]ccn3Cc3ccncc3)CC2)n1 ZINC000091656538 454454154 /nfs/dbraw/zinc/45/41/54/454454154.db2.gz NUVLUUNPWOMWDH-UHFFFAOYSA-N 1 1 348.454 3.117 50 0 EGAAMO COCc1ccc(C[NH2+][C@H](C)c2cnc(-c3ccncc3)nc2C)o1 ZINC000064031679 454465036 /nfs/dbraw/zinc/46/50/36/454465036.db2.gz YYISYMQOYCJTKU-CYBMUJFWSA-N 1 1 338.411 3.437 50 0 EGAAMO Cc1ccc(-n2ncc3c2CCC[C@@H]3Nc2cc(N)[nH+]cn2)cc1C ZINC000091807001 454473996 /nfs/dbraw/zinc/47/39/96/454473996.db2.gz XOHSFKHNBQSWJO-INIZCTEOSA-N 1 1 334.427 3.351 50 0 EGAAMO CCC[C@]1(CO)CCC[N@H+](Cc2nnc(-c3cccc(F)c3)o2)C1 ZINC000091964785 454497643 /nfs/dbraw/zinc/49/76/43/454497643.db2.gz XNHVFBSFMNCWLI-SFHVURJKSA-N 1 1 333.407 3.250 50 0 EGAAMO CCC[C@]1(CO)CCC[N@@H+](Cc2nnc(-c3cccc(F)c3)o2)C1 ZINC000091964785 454497646 /nfs/dbraw/zinc/49/76/46/454497646.db2.gz XNHVFBSFMNCWLI-SFHVURJKSA-N 1 1 333.407 3.250 50 0 EGAAMO CC(C)=CCN1CC[N@@H+](Cc2cccc3cnccc32)C[C@H]1CCO ZINC000104360268 454582720 /nfs/dbraw/zinc/58/27/20/454582720.db2.gz LOIIRFMZRREDFD-HXUWFJFHSA-N 1 1 339.483 3.070 50 0 EGAAMO CC(C)=CC[N@H+]1CCN(Cc2cccc3cnccc32)C[C@H]1CCO ZINC000104360268 454582730 /nfs/dbraw/zinc/58/27/30/454582730.db2.gz LOIIRFMZRREDFD-HXUWFJFHSA-N 1 1 339.483 3.070 50 0 EGAAMO CC(C)CC[N@H+]1CCN(Cc2cccc3cccnc32)C[C@H]1CCO ZINC000104380920 454584403 /nfs/dbraw/zinc/58/44/03/454584403.db2.gz HLGFRBHRGSJQDM-HXUWFJFHSA-N 1 1 341.499 3.150 50 0 EGAAMO C[N@H+]1CCN(Cc2ccc(-c3ccccc3Cl)o2)C[C@H]1CCO ZINC000104401267 454585629 /nfs/dbraw/zinc/58/56/29/454585629.db2.gz INQYXBDWBAKYFL-CQSZACIVSA-N 1 1 334.847 3.098 50 0 EGAAMO O=C(c1cccnc1)N1CCC[C@@H]1[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000106638400 454709039 /nfs/dbraw/zinc/70/90/39/454709039.db2.gz QPYOWBBLJIDUDA-WOJBJXKFSA-N 1 1 335.451 3.351 50 0 EGAAMO CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1OCc1ccccc1 ZINC000154794407 454930226 /nfs/dbraw/zinc/93/02/26/454930226.db2.gz UPLHTWDBZAJBDJ-IBGZPJMESA-N 1 1 338.451 3.366 50 0 EGAAMO CNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1OCc1ccccc1 ZINC000154794407 454930228 /nfs/dbraw/zinc/93/02/28/454930228.db2.gz UPLHTWDBZAJBDJ-IBGZPJMESA-N 1 1 338.451 3.366 50 0 EGAAMO Cn1ccc(NC(=O)C[N@@H+]2CCCCC[C@@H]2c2cccc(F)c2)n1 ZINC000252481952 455808506 /nfs/dbraw/zinc/80/85/06/455808506.db2.gz CVWXLXBUCKFIQA-MRXNPFEDSA-N 1 1 330.407 3.115 50 0 EGAAMO Cn1ccc(NC(=O)C[N@H+]2CCCCC[C@@H]2c2cccc(F)c2)n1 ZINC000252481952 455808511 /nfs/dbraw/zinc/80/85/11/455808511.db2.gz CVWXLXBUCKFIQA-MRXNPFEDSA-N 1 1 330.407 3.115 50 0 EGAAMO C[C@H]1CCCC[N@H+]1C1CN(C(=O)c2ccc(-c3ccccc3)n2C)C1 ZINC000216244369 456029383 /nfs/dbraw/zinc/02/93/83/456029383.db2.gz AYFZTJNWXBBOQF-INIZCTEOSA-N 1 1 337.467 3.391 50 0 EGAAMO CCOc1ccc(C(=O)NCc2ccc(-n3cc[nH+]c3C)cc2)o1 ZINC000223625520 456058473 /nfs/dbraw/zinc/05/84/73/456058473.db2.gz XBPKECWRFJVDAD-UHFFFAOYSA-N 1 1 325.368 3.102 50 0 EGAAMO COCC1(NC(=O)[C@H]2C[C@@H](c3ccccc3)[N@H+]3CCC[C@H]23)CCCC1 ZINC000299763522 456779283 /nfs/dbraw/zinc/77/92/83/456779283.db2.gz WOPDANNWQVPFAZ-OTWHNJEPSA-N 1 1 342.483 3.287 50 0 EGAAMO Cc1nccn1CC[N@H+](C)CCC(=O)Nc1ccc(C)c(Cl)c1 ZINC000299783980 456780738 /nfs/dbraw/zinc/78/07/38/456780738.db2.gz HHZWLBXQONQTMA-UHFFFAOYSA-N 1 1 334.851 3.114 50 0 EGAAMO COc1ncccc1C[N@H+]1CC[C@]2(OC)CC[C@H](OCC3CC3)C[C@H]12 ZINC000426478916 457838159 /nfs/dbraw/zinc/83/81/59/457838159.db2.gz LGNSSAGPGFVENN-CMKODMSKSA-N 1 1 346.471 3.029 50 0 EGAAMO CN(CCCSc1ccccc1)C(=O)NC[C@H]1CCCC[N@H+]1C ZINC000426551104 457853635 /nfs/dbraw/zinc/85/36/35/457853635.db2.gz KXLQBBZYLMXWMP-MRXNPFEDSA-N 1 1 335.517 3.295 50 0 EGAAMO Cc1ccc2c(c1)C[N@H+](C[C@H](O)Cc1cccc(Cl)c1)CCO2 ZINC000558110661 459131878 /nfs/dbraw/zinc/13/18/78/459131878.db2.gz QSIQBYQCLVKAGI-GOSISDBHSA-N 1 1 331.843 3.446 50 0 EGAAMO C[C@H](NC(=O)C[N@H+]1CCCN(c2ccccc2)CC1)c1ccccc1 ZINC000613567011 460998130 /nfs/dbraw/zinc/99/81/30/460998130.db2.gz LIPHBCQFUFDKEN-SFHVURJKSA-N 1 1 337.467 3.076 50 0 EGAAMO CC(C)(O)CCc1ccc(C[N@@H+]2CCO[C@H](c3cccnc3)C2)cc1 ZINC000215097649 535295015 /nfs/dbraw/zinc/29/50/15/535295015.db2.gz LYNKOMVLFBDIRQ-FQEVSTJZSA-N 1 1 340.467 3.359 50 0 EGAAMO CC(C)(O)CCc1ccc(C[N@H+]2CCO[C@H](c3cccnc3)C2)cc1 ZINC000215097649 535295021 /nfs/dbraw/zinc/29/50/21/535295021.db2.gz LYNKOMVLFBDIRQ-FQEVSTJZSA-N 1 1 340.467 3.359 50 0 EGAAMO Cc1cccc(CN(C(=O)CC[C@H](C)N2CC[NH+](C)CC2)C(C)C)c1 ZINC000055244515 546558533 /nfs/dbraw/zinc/55/85/33/546558533.db2.gz WXHGEXXGIUMNRI-IBGZPJMESA-N 1 1 345.531 3.148 50 0 EGAAMO O=c1c2cccc(F)c2ncn1[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000584884684 564131425 /nfs/dbraw/zinc/13/14/25/564131425.db2.gz AAHBEIBOTJJJIR-MRXNPFEDSA-N 1 1 337.398 3.373 50 0 EGAAMO C/C(=C\c1ccccc1)C[N@@H+]1CCc2nnc([C@H]3CCCO3)n2CC1 ZINC000019223904 1291191816 /nfs/dbraw/zinc/19/18/16/1291191816.db2.gz MBDIMPDJUNKOEU-QRURKXGXSA-N 1 1 338.455 3.091 50 0 EGAAMO Cc1ncc(C[N@H+]2CCC[C@@H](Nc3ccc4c(c3)OCCO4)C2)s1 ZINC000055382899 1291781296 /nfs/dbraw/zinc/78/12/96/1291781296.db2.gz ZOYNJNQUXQDJPT-OAHLLOKOSA-N 1 1 345.468 3.299 50 0 EGAAMO O=C(NCCc1ccco1)[C@@H](c1ccc(F)cc1)[NH+]1CCCCC1 ZINC000827647382 1292351171 /nfs/dbraw/zinc/35/11/71/1292351171.db2.gz GMVLIAJWTINFRN-GOSISDBHSA-N 1 1 330.403 3.305 50 0 EGAAMO Cc1[nH+]ccn1CCN(C)C(=O)Cc1csc(-c2ccccc2)n1 ZINC000827883295 1292393590 /nfs/dbraw/zinc/39/35/90/1292393590.db2.gz DYBGNDIBXXWKOQ-UHFFFAOYSA-N 1 1 340.452 3.016 50 0 EGAAMO Cc1cc(C)n(CCC[N@H+](C)Cc2ccc(-c3cc[nH]n3)s2)n1 ZINC000823709305 1320199638 /nfs/dbraw/zinc/19/96/38/1320199638.db2.gz VSTGXGSUDNTRRW-UHFFFAOYSA-N 1 1 329.473 3.474 50 0 EGAAMO CCc1cc(C[N@H+](C)Cc2cc(OC)ccc2-n2cccn2)on1 ZINC000824629322 1320271766 /nfs/dbraw/zinc/27/17/66/1320271766.db2.gz AJXNLCHPERGHKP-UHFFFAOYSA-N 1 1 326.400 3.063 50 0 EGAAMO CCc1cc(C[N@@H+](C)Cc2cc(OC)ccc2-n2cccn2)on1 ZINC000824629322 1320271768 /nfs/dbraw/zinc/27/17/68/1320271768.db2.gz AJXNLCHPERGHKP-UHFFFAOYSA-N 1 1 326.400 3.063 50 0 EGAAMO Cc1n[nH]c(C)c1C[N@@H+](CCOc1ccccc1)C[C@H]1CCCO1 ZINC000952868575 1334583884 /nfs/dbraw/zinc/58/38/84/1334583884.db2.gz AUGHAUJUHXBPIU-GOSISDBHSA-N 1 1 329.444 3.087 50 0 EGAAMO Fc1cccc(CN2CCC[N@H+](C3CSCCSC3)CC2)c1 ZINC000952981307 1334630168 /nfs/dbraw/zinc/63/01/68/1334630168.db2.gz DFLPVBGHBHCOSQ-UHFFFAOYSA-N 1 1 340.533 3.182 50 0 EGAAMO Cc1ccc(NC(=O)c2ccccc2)c(NC(=O)[C@H]2CCC[N@H+]2C)c1 ZINC000952989443 1334631315 /nfs/dbraw/zinc/63/13/15/1334631315.db2.gz VJPABGYDDHASBT-GOSISDBHSA-N 1 1 337.423 3.280 50 0 EGAAMO Cc1ccc(NC(=O)c2ccccc2)c(NC(=O)[C@H]2CCC[N@@H+]2C)c1 ZINC000952989443 1334631318 /nfs/dbraw/zinc/63/13/18/1334631318.db2.gz VJPABGYDDHASBT-GOSISDBHSA-N 1 1 337.423 3.280 50 0 EGAAMO O[C@@H]1C[N@@H+](CCCC(F)(F)F)C[C@H]1Cc1ccc2ccccc2n1 ZINC001704299168 1416432980 /nfs/dbraw/zinc/43/29/80/1416432980.db2.gz NPEPMWMQMHCYCB-RHSMWYFYSA-N 1 1 338.373 3.413 50 0 EGAAMO CCN(C)c1cc[nH+]c(NCc2cc(-c3cccc(OC)c3)no2)n1 ZINC001704298946 1416433038 /nfs/dbraw/zinc/43/30/38/1416433038.db2.gz LQKRQSCWFFJKHF-UHFFFAOYSA-N 1 1 339.399 3.208 50 0 EGAAMO Cc1cccc(NC(=O)C[N@H+](C)CCc2nc3cc(F)ccc3[nH]2)c1 ZINC001704349437 1416452081 /nfs/dbraw/zinc/45/20/81/1416452081.db2.gz HGIJKOMYMKTOEE-UHFFFAOYSA-N 1 1 340.402 3.123 50 0 EGAAMO Cc1cccc(NC(=O)C[N@@H+](C)CCc2nc3cc(F)ccc3[nH]2)c1 ZINC001704349437 1416452082 /nfs/dbraw/zinc/45/20/82/1416452082.db2.gz HGIJKOMYMKTOEE-UHFFFAOYSA-N 1 1 340.402 3.123 50 0 EGAAMO COC[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(C(F)(F)F)cc2)C1 ZINC000056908335 214395265 /nfs/dbraw/zinc/39/52/65/214395265.db2.gz JVFFOAOSYLVLMR-GFCCVEGCSA-N 1 1 330.350 3.002 50 0 EGAAMO CC(C)C(=O)N1CCC(OCC2=CCC[N@H+]([C@H]3C=CCCC3)C2)CC1 ZINC000067473510 215152063 /nfs/dbraw/zinc/15/20/63/215152063.db2.gz QKGVGQIPMNMBAP-IBGZPJMESA-N 1 1 346.515 3.391 50 0 EGAAMO C[C@@H]([NH2+]CC(=O)NCCCc1ccccc1)c1ccc(F)cc1F ZINC000016695807 201978626 /nfs/dbraw/zinc/97/86/26/201978626.db2.gz GXIIXTVGBLRBSX-CQSZACIVSA-N 1 1 332.394 3.364 50 0 EGAAMO c1csc(C[NH+]2CCN(Cc3c[nH]c(-c4ccccc4)n3)CC2)c1 ZINC000020775436 202054440 /nfs/dbraw/zinc/05/44/40/202054440.db2.gz OJSXEEVZKNLTOB-UHFFFAOYSA-N 1 1 338.480 3.456 50 0 EGAAMO c1[nH]nc(-c2ccc3c(c2)OCO3)c1C[N@@H+]1CCOc2ccccc2C1 ZINC000020780792 202055420 /nfs/dbraw/zinc/05/54/20/202055420.db2.gz KMAQIOQWVDVJNH-UHFFFAOYSA-N 1 1 349.390 3.200 50 0 EGAAMO c1[nH]nc(-c2ccc3c(c2)OCO3)c1C[N@H+]1CCOc2ccccc2C1 ZINC000020780792 202055423 /nfs/dbraw/zinc/05/54/23/202055423.db2.gz KMAQIOQWVDVJNH-UHFFFAOYSA-N 1 1 349.390 3.200 50 0 EGAAMO Cc1ccc(CN2CC[N@@H+](Cc3cccc(C)c3)C[C@@H]2CCO)cc1 ZINC000020912310 202058072 /nfs/dbraw/zinc/05/80/72/202058072.db2.gz XTAUIOUSXVEFAY-QFIPXVFZSA-N 1 1 338.495 3.372 50 0 EGAAMO Cc1ccc(C[N@@H+]2CCN(Cc3cccc(C)c3)C[C@@H]2CCO)cc1 ZINC000020912310 202058076 /nfs/dbraw/zinc/05/80/76/202058076.db2.gz XTAUIOUSXVEFAY-QFIPXVFZSA-N 1 1 338.495 3.372 50 0 EGAAMO Cc1ccc(C[N@H+]2CCN(Cc3cccc(C)c3)C[C@@H]2CCO)cc1 ZINC000020912310 202058079 /nfs/dbraw/zinc/05/80/79/202058079.db2.gz XTAUIOUSXVEFAY-QFIPXVFZSA-N 1 1 338.495 3.372 50 0 EGAAMO C[NH+]1CCN(Cc2ccc(C(=O)c3ccc(Cl)cc3)cc2)CC1 ZINC000022027904 202077959 /nfs/dbraw/zinc/07/79/59/202077959.db2.gz LCHIEOIRRNHHSS-UHFFFAOYSA-N 1 1 328.843 3.318 50 0 EGAAMO CCNc1nc(Nc2ccc(NC(=O)[C@@H]3CCCO3)cc2)cc(C)[nH+]1 ZINC000072434164 216228898 /nfs/dbraw/zinc/22/88/98/216228898.db2.gz XNBAVQYVINBNAS-HNNXBMFYSA-N 1 1 341.415 3.078 50 0 EGAAMO Cc1c2cc(Cl)ccc2[nH]c1C[N@@H+]1CC[C@]2(CN(C)C(=O)O2)C1 ZINC000072432696 216226516 /nfs/dbraw/zinc/22/65/16/216226516.db2.gz AZWPNCNLBLWUNJ-KRWDZBQOSA-N 1 1 333.819 3.156 50 0 EGAAMO Cc1ccc(Oc2ccc(C[N@H+]3CC[C@](O)(CO)C3)cc2)cc1C ZINC000215220127 241114440 /nfs/dbraw/zinc/11/44/40/241114440.db2.gz LIGLBJLQMZGGLF-HXUWFJFHSA-N 1 1 327.424 3.025 50 0 EGAAMO COCc1ncc(C[NH+]2CCC(c3nc4ccccc4o3)CC2)cn1 ZINC000215377925 241121850 /nfs/dbraw/zinc/12/18/50/241121850.db2.gz WWDPZOULXRHDNJ-UHFFFAOYSA-N 1 1 338.411 3.144 50 0 EGAAMO CCc1nn(C)c(Cl)c1C[NH+]1CCC(OCc2cccnc2)CC1 ZINC000215720078 241141241 /nfs/dbraw/zinc/14/12/41/241141241.db2.gz ZCRJVKOQHVRZAE-UHFFFAOYSA-N 1 1 348.878 3.212 50 0 EGAAMO COc1ccc(C[N@H+]2CC[C@@H](c3cccc(OC)c3OC)C2)cn1 ZINC000216230355 241174744 /nfs/dbraw/zinc/17/47/44/241174744.db2.gz AHVCJSOWFPAWBV-OAHLLOKOSA-N 1 1 328.412 3.097 50 0 EGAAMO C[C@@H]1CCCC[N@H+]1C1CN(C(=O)c2cc3cc(F)ccc3n2C)C1 ZINC000216259392 241177020 /nfs/dbraw/zinc/17/70/20/241177020.db2.gz QPDCTPVAJFKEIC-CYBMUJFWSA-N 1 1 329.419 3.016 50 0 EGAAMO CCSc1ncc(C[N@@H+]2CCCOc3c(cccc3OC)C2)cn1 ZINC000215545626 241131032 /nfs/dbraw/zinc/13/10/32/241131032.db2.gz OLDKNIBXHKRINM-UHFFFAOYSA-N 1 1 345.468 3.382 50 0 EGAAMO CCSc1ncc(C[N@H+]2CCCOc3c(cccc3OC)C2)cn1 ZINC000215545626 241131034 /nfs/dbraw/zinc/13/10/34/241131034.db2.gz OLDKNIBXHKRINM-UHFFFAOYSA-N 1 1 345.468 3.382 50 0 EGAAMO O=C1C[C@H]([NH+]2CCCC2)C(=O)N1c1ccc(Oc2ccccc2)cc1 ZINC000004978042 201629881 /nfs/dbraw/zinc/62/98/81/201629881.db2.gz CYDGDNFRIYVXPR-SFHVURJKSA-N 1 1 336.391 3.207 50 0 EGAAMO O=C(CC[N@H+]1CC[C@@H]2CCCC[C@H]2C1)Nc1nnc(C2CC2)s1 ZINC000244659449 243052002 /nfs/dbraw/zinc/05/20/02/243052002.db2.gz HCTHXIPMRNQRSV-JSGCOSHPSA-N 1 1 334.489 3.256 50 0 EGAAMO Cc1nc(CC[NH+]2CCN(c3nsc4ccccc43)CC2)cs1 ZINC000244685632 243056904 /nfs/dbraw/zinc/05/69/04/243056904.db2.gz ITRNBWPSEOLQQR-UHFFFAOYSA-N 1 1 344.509 3.426 50 0 EGAAMO Cc1oc(-c2cccc(Cl)c2)nc1C[N@H+]1CCC(=O)NC[C@H]1C ZINC000067742469 202931108 /nfs/dbraw/zinc/93/11/08/202931108.db2.gz FYXTVDIMHBTENL-LLVKDONJSA-N 1 1 333.819 3.014 50 0 EGAAMO Cc1oc(-c2cccc(Cl)c2)nc1C[N@@H+]1CCC(=O)NC[C@H]1C ZINC000067742469 202931110 /nfs/dbraw/zinc/93/11/10/202931110.db2.gz FYXTVDIMHBTENL-LLVKDONJSA-N 1 1 333.819 3.014 50 0 EGAAMO COC(=O)c1cc(C[N@@H+]2CCC[C@@H]2c2c(C)noc2C)ccc1O ZINC000071758752 203109039 /nfs/dbraw/zinc/10/90/39/203109039.db2.gz TXRIEEBSBDNHEZ-OAHLLOKOSA-N 1 1 330.384 3.121 50 0 EGAAMO COC(=O)c1cc(C[N@H+]2CCC[C@@H]2c2c(C)noc2C)ccc1O ZINC000071758752 203109041 /nfs/dbraw/zinc/10/90/41/203109041.db2.gz TXRIEEBSBDNHEZ-OAHLLOKOSA-N 1 1 330.384 3.121 50 0 EGAAMO COc1ccc(-c2nc(C[N@H+]3CCC[C@@](C)(O)C3)c(C)o2)c(F)c1 ZINC000071763472 203110798 /nfs/dbraw/zinc/11/07/98/203110798.db2.gz PWIQJPIVZHPKAC-GOSISDBHSA-N 1 1 334.391 3.145 50 0 EGAAMO c1csc(C[N@@H+]2CCCN(Cc3nc4ccccc4[nH]3)CC2)c1 ZINC000072121888 203163926 /nfs/dbraw/zinc/16/39/26/203163926.db2.gz NMMIUZVYRJRXMH-UHFFFAOYSA-N 1 1 326.469 3.332 50 0 EGAAMO CC1(C(=O)N2C[C@H](c3cccc(F)c3F)[C@@H]3[C@H]2C2CC[NH+]3CC2)CC1 ZINC000072124089 203165403 /nfs/dbraw/zinc/16/54/03/203165403.db2.gz NPSIJOOYIREHJA-ZTFGCOKTSA-N 1 1 346.421 3.154 50 0 EGAAMO c1cncc(CO[C@H]2CCC[N@@H+](Cc3ccc4nsnc4c3)C2)c1 ZINC000072143949 203170527 /nfs/dbraw/zinc/17/05/27/203170527.db2.gz YFBLTJVZELUQTE-INIZCTEOSA-N 1 1 340.452 3.268 50 0 EGAAMO Oc1ccc(CN2CCC[N@@H+](Cc3cccnc3)CC2)c(Cl)c1 ZINC000072166717 203179032 /nfs/dbraw/zinc/17/90/32/203179032.db2.gz OOFIKQVFKVSLHS-UHFFFAOYSA-N 1 1 331.847 3.149 50 0 EGAAMO Cc1nnc(C[N@@H+]2CC[C@@](O)(c3ccccc3)[C@H]3CCCC[C@@H]32)s1 ZINC000072174067 203182250 /nfs/dbraw/zinc/18/22/50/203182250.db2.gz RBKUDQJBNWKELS-JENIJYKNSA-N 1 1 343.496 3.499 50 0 EGAAMO Cc1nnc(C[N@H+]2CC[C@@](O)(c3ccccc3)[C@H]3CCCC[C@@H]32)s1 ZINC000072174067 203182253 /nfs/dbraw/zinc/18/22/53/203182253.db2.gz RBKUDQJBNWKELS-JENIJYKNSA-N 1 1 343.496 3.499 50 0 EGAAMO Cc1cccc([C@H]2CCC[N@@H+](Cc3cccc(OCC(N)=O)c3)C2)c1 ZINC000072480764 203232454 /nfs/dbraw/zinc/23/24/54/203232454.db2.gz CGFPHRQHCVGONM-IBGZPJMESA-N 1 1 338.451 3.239 50 0 EGAAMO OCC[C@@H]1CN(c2ccc3ccccc3n2)CC[N@H+]1C1CCCCC1 ZINC000072423600 203219951 /nfs/dbraw/zinc/21/99/51/203219951.db2.gz KMRIDCSLBTYIFO-LJQANCHMSA-N 1 1 339.483 3.441 50 0 EGAAMO CC(C)CCN1C[C@]2(CCC[N@H+](Cc3nccs3)C2)CCC1=O ZINC000077298510 203378043 /nfs/dbraw/zinc/37/80/43/203378043.db2.gz QJFWIFSPURPTDL-GOSISDBHSA-N 1 1 335.517 3.394 50 0 EGAAMO CC(C)CCN1C[C@]2(CCC[N@@H+](Cc3nccs3)C2)CCC1=O ZINC000077298510 203378047 /nfs/dbraw/zinc/37/80/47/203378047.db2.gz QJFWIFSPURPTDL-GOSISDBHSA-N 1 1 335.517 3.394 50 0 EGAAMO CCOC(=O)C[C@@H]1CCCC[N@H+]1Cc1ccc(-n2ccnc2)cc1 ZINC000077319833 203379959 /nfs/dbraw/zinc/37/99/59/203379959.db2.gz GBEKCHPROBFHLM-SFHVURJKSA-N 1 1 327.428 3.180 50 0 EGAAMO CCn1ccc2c1cccc2C[N@@H+]1C[C@@H](C(C)C)[C@H](NC(C)=O)C1 ZINC000077355268 203382476 /nfs/dbraw/zinc/38/24/76/203382476.db2.gz NWYDTEUBOSVNRH-RBUKOAKNSA-N 1 1 327.472 3.254 50 0 EGAAMO COc1ccc(OC)c([C@H]2CC[N@@H+](Cc3cccc4nonc43)C2)c1 ZINC000077388525 203384614 /nfs/dbraw/zinc/38/46/14/203384614.db2.gz NPDIOKSMPYSCKV-ZDUSSCGKSA-N 1 1 339.395 3.230 50 0 EGAAMO O=C(NCc1ccc(Cl)cc1)N1C[C@H]2CC[C@H](C[N@@H+]2CC2CC2)C1 ZINC000095501894 203750971 /nfs/dbraw/zinc/75/09/71/203750971.db2.gz ILKSJZWUIZXFRD-SJLPKXTDSA-N 1 1 347.890 3.356 50 0 EGAAMO CC(=O)c1ccc(C(=O)N2C[C@H]3CC[C@H](C[N@@H+]3CC3CCC3)C2)s1 ZINC000091872419 218081350 /nfs/dbraw/zinc/08/13/50/218081350.db2.gz QVFRNHRTTSEMEO-HZPDHXFCSA-N 1 1 346.496 3.287 50 0 EGAAMO Fc1cc(C[N@@H+]2CCCC[C@H]2CN2CCOCC2)ccc1Cl ZINC000097527355 219033215 /nfs/dbraw/zinc/03/32/15/219033215.db2.gz PKZSOTXPTXGXTG-HNNXBMFYSA-N 1 1 326.843 3.166 50 0 EGAAMO Fc1cc(C[N@H+]2CCCC[C@H]2CN2CCOCC2)ccc1Cl ZINC000097527355 219033218 /nfs/dbraw/zinc/03/32/18/219033218.db2.gz PKZSOTXPTXGXTG-HNNXBMFYSA-N 1 1 326.843 3.166 50 0 EGAAMO Fc1cc(CN2CCCC[C@H]2C[NH+]2CCOCC2)ccc1Cl ZINC000097527355 219033220 /nfs/dbraw/zinc/03/32/20/219033220.db2.gz PKZSOTXPTXGXTG-HNNXBMFYSA-N 1 1 326.843 3.166 50 0 EGAAMO C[N@H+]1CCC[C@@H]1CCNC(=O)Nc1ccc(-c2cscn2)cc1 ZINC000299788124 258094570 /nfs/dbraw/zinc/09/45/70/258094570.db2.gz VHPRSKCXFSEKDC-OAHLLOKOSA-N 1 1 330.457 3.416 50 0 EGAAMO CCc1[nH+]ccn1CCC(=O)N(C)Cc1nc2cc(Cl)ccc2[nH]1 ZINC000299790025 258096188 /nfs/dbraw/zinc/09/61/88/258096188.db2.gz AWOKZPIFXVFNKL-UHFFFAOYSA-N 1 1 345.834 3.024 50 0 EGAAMO CO[C@]12CC[N@@H+](Cc3cnc(C4CCCCC4)nc3)[C@H]1C[C@H](O)CC2 ZINC000299758137 258076243 /nfs/dbraw/zinc/07/62/43/258076243.db2.gz DCPYGQRIAKGERL-WSTZPKSXSA-N 1 1 345.487 3.029 50 0 EGAAMO COc1cc(C[NH+]2CCN(c3ccc(Cl)cc3)CC2)ccc1O ZINC000055543054 132195559 /nfs/dbraw/zinc/19/55/59/132195559.db2.gz ZJDUYYZMDRHZKR-UHFFFAOYSA-N 1 1 332.831 3.376 50 0 EGAAMO COc1cc2c(cc1OC)[C@@H](c1ccc3c(c1)OCO3)[N@H+](C)CC2 ZINC000019882156 277394667 /nfs/dbraw/zinc/39/46/67/277394667.db2.gz JFTOOEZYKZTOEX-LJQANCHMSA-N 1 1 327.380 3.010 50 0 EGAAMO COc1cc2c(cc1OC)[C@@H](c1ccc3c(c1)OCO3)[N@@H+](C)CC2 ZINC000019882156 277394672 /nfs/dbraw/zinc/39/46/72/277394672.db2.gz JFTOOEZYKZTOEX-LJQANCHMSA-N 1 1 327.380 3.010 50 0 EGAAMO COc1ccc(C[N@@H+](C)CCn2cc(Cl)cn2)c2cccnc12 ZINC000240128346 295125092 /nfs/dbraw/zinc/12/50/92/295125092.db2.gz IQCMZMVSUHCSON-UHFFFAOYSA-N 1 1 330.819 3.225 50 0 EGAAMO COC(=O)c1[nH]c2cccc(Cl)c2c1NC(=O)C[NH+]1CCCCC1 ZINC000002444307 452698420 /nfs/dbraw/zinc/69/84/20/452698420.db2.gz WYQCCMJHFYBCIA-UHFFFAOYSA-N 1 1 349.818 3.032 50 0 EGAAMO CC[C@H]1CCCC[N@H+]1CC(=O)Nc1c2ccccc2[nH]c1C(=O)OC ZINC000004806930 452820075 /nfs/dbraw/zinc/82/00/75/452820075.db2.gz UWEVRTAKFOVNAU-ZDUSSCGKSA-N 1 1 343.427 3.158 50 0 EGAAMO Cc1cccc(C)c1NC(=O)CSc1nnc([C@@H]([NH3+])C(C)C)o1 ZINC000005092778 452836172 /nfs/dbraw/zinc/83/61/72/452836172.db2.gz PRFQOAMZAIBCCT-ZDUSSCGKSA-N 1 1 334.445 3.073 50 0 EGAAMO CCc1cc(C(=O)OC)c(NC(=O)C[NH+]2C[C@H](C)C[C@@H](C)C2)s1 ZINC000006699881 452971154 /nfs/dbraw/zinc/97/11/54/452971154.db2.gz MZTGXIZLLWVUKX-VXGBXAGGSA-N 1 1 338.473 3.014 50 0 EGAAMO COc1ccc(-c2nc(C[N@H+]3CCC[C@H](OC)C3)c(C)o2)cc1OC ZINC000011661372 453328592 /nfs/dbraw/zinc/32/85/92/453328592.db2.gz NJLNEWRIUDQHHU-HNNXBMFYSA-N 1 1 346.427 3.278 50 0 EGAAMO COc1ccc(-c2nc(C[N@@H+]3CCC[C@H](OC)C3)c(C)o2)cc1OC ZINC000011661372 453328602 /nfs/dbraw/zinc/32/86/02/453328602.db2.gz NJLNEWRIUDQHHU-HNNXBMFYSA-N 1 1 346.427 3.278 50 0 EGAAMO COc1ccc(C(=O)[C@H]2CCC[N@H+](Cc3ccccn3)C2)cc1F ZINC000011932839 453339986 /nfs/dbraw/zinc/33/99/86/453339986.db2.gz FHCPFBNLFXIDKA-HNNXBMFYSA-N 1 1 328.387 3.324 50 0 EGAAMO COc1ccc(C(=O)[C@H]2CCC[N@@H+](Cc3ccccn3)C2)cc1F ZINC000011932839 453339995 /nfs/dbraw/zinc/33/99/95/453339995.db2.gz FHCPFBNLFXIDKA-HNNXBMFYSA-N 1 1 328.387 3.324 50 0 EGAAMO COc1ccc(F)c(CN2CCC[C@]3(CC[N@@H+](CC4CC4)C3)C2=O)c1 ZINC000011933537 453340331 /nfs/dbraw/zinc/34/03/31/453340331.db2.gz OQNVEHSZXHBBIT-HXUWFJFHSA-N 1 1 346.446 3.059 50 0 EGAAMO Cc1ccc(C[N@H+]2CCC[C@H](CNC(=O)c3ccc(F)cc3)C2)o1 ZINC000012004042 453340498 /nfs/dbraw/zinc/34/04/98/453340498.db2.gz DMJFDHCVJRCRLC-OAHLLOKOSA-N 1 1 330.403 3.369 50 0 EGAAMO COCCC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(CC(C)C)cc2)C1 ZINC000011950713 453341323 /nfs/dbraw/zinc/34/13/23/453341323.db2.gz PIQZRJUCAJBEEC-IBGZPJMESA-N 1 1 332.488 3.002 50 0 EGAAMO CSCC(=O)N[C@H]1CCC[N@@H+](Cc2ccc(CC(C)C)cc2)C1 ZINC000012478947 453364370 /nfs/dbraw/zinc/36/43/70/453364370.db2.gz DZKAPZSOTQIKMB-SFHVURJKSA-N 1 1 334.529 3.329 50 0 EGAAMO COc1ccc(CC[C@@H]2CCC[N@H+](C3CCN(C(C)=O)CC3)C2)cc1 ZINC000012454281 453365695 /nfs/dbraw/zinc/36/56/95/453365695.db2.gz IDEKKDHFHPTEPC-IBGZPJMESA-N 1 1 344.499 3.351 50 0 EGAAMO CC(C)CC[C@]1(CC(=O)N2CC[NH+](C)CC2)CCO[C@@H](C(C)C)C1 ZINC000013550975 453470235 /nfs/dbraw/zinc/47/02/35/453470235.db2.gz GJWCMTGDMBVCMD-QUCCMNQESA-N 1 1 338.536 3.408 50 0 EGAAMO Cc1c(C)n(Cc2ccccn2)c2nc[nH+]c(NCc3ccncc3)c12 ZINC000013692030 453482178 /nfs/dbraw/zinc/48/21/78/453482178.db2.gz GYDDANZMEXDSAD-UHFFFAOYSA-N 1 1 344.422 3.499 50 0 EGAAMO CCOc1ccccc1C(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000016603912 453614494 /nfs/dbraw/zinc/61/44/94/453614494.db2.gz STLTVWHQPGOMBX-UHFFFAOYSA-N 1 1 338.451 3.086 50 0 EGAAMO COc1ccc(NC(=O)NC[C@H]2CC[N@H+](C3CCCC3)C2)c(OC)c1 ZINC000016624192 453615853 /nfs/dbraw/zinc/61/58/53/453615853.db2.gz BLUGGARQGRPYQI-CQSZACIVSA-N 1 1 347.459 3.090 50 0 EGAAMO Cc1ccc(C[N@H+]2CCN(Cc3ccc(C)cc3)[C@@H](CCO)C2)s1 ZINC000022851438 453700424 /nfs/dbraw/zinc/70/04/24/453700424.db2.gz LITAOPJNFVLHCT-IBGZPJMESA-N 1 1 344.524 3.434 50 0 EGAAMO Cc1ccc(CN2CC[N@H+](Cc3ccc(C)cc3)[C@@H](CCO)C2)s1 ZINC000022851438 453700427 /nfs/dbraw/zinc/70/04/27/453700427.db2.gz LITAOPJNFVLHCT-IBGZPJMESA-N 1 1 344.524 3.434 50 0 EGAAMO Cc1ccc(CN2CC[N@@H+](Cc3ccc(C)cc3)[C@@H](CCO)C2)s1 ZINC000022851438 453700431 /nfs/dbraw/zinc/70/04/31/453700431.db2.gz LITAOPJNFVLHCT-IBGZPJMESA-N 1 1 344.524 3.434 50 0 EGAAMO Cc1ccc(-c2cc3c(N4CCC[N@H+](C)CC4)nccn3n2)c(C)c1 ZINC000067285163 453918995 /nfs/dbraw/zinc/91/89/95/453918995.db2.gz UJTTYXLWHARLQC-UHFFFAOYSA-N 1 1 335.455 3.155 50 0 EGAAMO Cc1ccc[nH+]c1NCCNC(=O)c1csc(-c2cccs2)n1 ZINC000082146695 453927285 /nfs/dbraw/zinc/92/72/85/453927285.db2.gz MJDMXEKXMWQTIZ-UHFFFAOYSA-N 1 1 344.465 3.417 50 0 EGAAMO CC[N@H+]1CCC[C@H](CN(C)c2nc(C)c3ccc(OC)cc3n2)C1 ZINC000067588194 453946158 /nfs/dbraw/zinc/94/61/58/453946158.db2.gz VVPQTTGCAHWDNE-OAHLLOKOSA-N 1 1 328.460 3.115 50 0 EGAAMO COc1ccc(C[N@@H+](C)CCOc2cc(C)cc(C)c2)cc1CO ZINC000055061125 453960083 /nfs/dbraw/zinc/96/00/83/453960083.db2.gz NHUGNXAVJYWNCQ-UHFFFAOYSA-N 1 1 329.440 3.315 50 0 EGAAMO CCN(C(C)=O)[C@H]1CC[N@H+](Cc2nc(-c3ccccc3C)oc2C)C1 ZINC000067771641 453965175 /nfs/dbraw/zinc/96/51/75/453965175.db2.gz ITFHRBWRLKOBMG-KRWDZBQOSA-N 1 1 341.455 3.401 50 0 EGAAMO CCN(C(C)=O)[C@H]1CC[N@@H+](Cc2nc(-c3ccccc3C)oc2C)C1 ZINC000067771641 453965178 /nfs/dbraw/zinc/96/51/78/453965178.db2.gz ITFHRBWRLKOBMG-KRWDZBQOSA-N 1 1 341.455 3.401 50 0 EGAAMO Cc1ccccc1CCN1CCC[C@@H](C[N@@H+](C)C2CCOCC2)C1 ZINC000055199847 453969275 /nfs/dbraw/zinc/96/92/75/453969275.db2.gz FMONFHPNPOQMBT-IBGZPJMESA-N 1 1 330.516 3.360 50 0 EGAAMO Cc1ccccc1CCN1CCC[C@@H](C[N@H+](C)C2CCOCC2)C1 ZINC000055199847 453969277 /nfs/dbraw/zinc/96/92/77/453969277.db2.gz FMONFHPNPOQMBT-IBGZPJMESA-N 1 1 330.516 3.360 50 0 EGAAMO Cc1ccnc(C[C@@H](C)[N@@H+](C)Cc2cc3ccc(F)cc3[nH]c2=O)c1 ZINC000055327862 453976679 /nfs/dbraw/zinc/97/66/79/453976679.db2.gz XJLIUBDNWDSJDA-CQSZACIVSA-N 1 1 339.414 3.434 50 0 EGAAMO CC[C@H](CO)[N@@H+](Cc1cccs1)Cc1ccc(NC(C)=O)cc1 ZINC000055341672 453977984 /nfs/dbraw/zinc/97/79/84/453977984.db2.gz OXQOQIKZDTVETN-QGZVFWFLSA-N 1 1 332.469 3.480 50 0 EGAAMO c1cc(C[N@@H+](Cc2ccc3nonc3c2)C[C@@H]2CCCO2)cs1 ZINC000055383352 453979727 /nfs/dbraw/zinc/97/97/27/453979727.db2.gz MCSVPKKZGCEPSV-HNNXBMFYSA-N 1 1 329.425 3.466 50 0 EGAAMO Cc1cc(C)c(C[NH2+][C@@H](CC(C)C)c2ncnn2C)c(C)c1CO ZINC000055383665 453980217 /nfs/dbraw/zinc/98/02/17/453980217.db2.gz QIXKRMNHWZWNAU-SFHVURJKSA-N 1 1 330.476 3.110 50 0 EGAAMO CC[C@H]1CN(Cc2cc3cc(C)ccc3[nH]c2=O)CC[N@H+]1C(C)C ZINC000067919656 453980870 /nfs/dbraw/zinc/98/08/70/453980870.db2.gz TXKRXUBLQXOTMZ-SFHVURJKSA-N 1 1 327.472 3.141 50 0 EGAAMO Cn1cc(C(=O)NC[C@H]2CC[N@@H+](CC(C)(C)C)C2)c2ccccc21 ZINC000067947950 453983023 /nfs/dbraw/zinc/98/30/23/453983023.db2.gz XIOLYRQHLPXRIJ-OAHLLOKOSA-N 1 1 327.472 3.276 50 0 EGAAMO Cn1nc(-c2ccccc2)cc1CNC[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000055414150 453983704 /nfs/dbraw/zinc/98/37/04/453983704.db2.gz TVJODEFNLDVVBF-GHTZIAJQSA-N 1 1 338.499 3.441 50 0 EGAAMO Cn1nc(-c2ccccc2)cc1CNC[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000055414150 453983706 /nfs/dbraw/zinc/98/37/06/453983706.db2.gz TVJODEFNLDVVBF-GHTZIAJQSA-N 1 1 338.499 3.441 50 0 EGAAMO Cc1ccoc1C(=O)NC[C@@H]1CCC[N@@H+](Cc2nccn2C(C)C)C1 ZINC000067965815 453984834 /nfs/dbraw/zinc/98/48/34/453984834.db2.gz CVBZVBLRQUBVLK-INIZCTEOSA-N 1 1 344.459 3.007 50 0 EGAAMO Cc1ccoc1C(=O)NC[C@@H]1CCC[N@H+](Cc2nccn2C(C)C)C1 ZINC000067965815 453984839 /nfs/dbraw/zinc/98/48/39/453984839.db2.gz CVBZVBLRQUBVLK-INIZCTEOSA-N 1 1 344.459 3.007 50 0 EGAAMO COC1(c2ccccc2)CCN(C(=O)CC[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000095365476 454196976 /nfs/dbraw/zinc/19/69/76/454196976.db2.gz NWYNUPVSXRAASK-GOSISDBHSA-N 1 1 344.499 3.273 50 0 EGAAMO Cc1[nH+]ccn1[C@@H](C)CC(=O)N1CC(Oc2c(C)cccc2C)C1 ZINC000095357333 454197723 /nfs/dbraw/zinc/19/77/23/454197723.db2.gz KAXQHSZBNYJKER-HNNXBMFYSA-N 1 1 327.428 3.049 50 0 EGAAMO Cc1cccc(CC2(NC(=O)[C@@H](c3cccnc3)[NH+]3CCCC3)CC2)c1 ZINC000095368696 454198451 /nfs/dbraw/zinc/19/84/51/454198451.db2.gz IRAKIWXUKFAQJJ-HXUWFJFHSA-N 1 1 349.478 3.418 50 0 EGAAMO CCCCn1ccnc1[C@H]1CCCN(C(=O)C[N@@H+](C)C2CCCC2)C1 ZINC000095375361 454198780 /nfs/dbraw/zinc/19/87/80/454198780.db2.gz IOJJEDNWFSPMLS-KRWDZBQOSA-N 1 1 346.519 3.264 50 0 EGAAMO CSCCC[N@H+]1C[C@@H](c2cccc(O)c2)[C@@H]2[C@H]1C1CCN2CC1 ZINC000095372277 454199049 /nfs/dbraw/zinc/19/90/49/454199049.db2.gz VBNHARVFGFTPEI-IPMKNSEASA-N 1 1 332.513 3.007 50 0 EGAAMO O=C1[C@H]2CC[C@H](C[N@@H+](Cc3ccc(F)c(F)c3)C2)N1CC1CCC1 ZINC000095375418 454199128 /nfs/dbraw/zinc/19/91/28/454199128.db2.gz KSFVEZDMBAZWNN-JKSUJKDBSA-N 1 1 334.410 3.188 50 0 EGAAMO O=C1[C@H]2CC[C@H](C[N@H+](Cc3ccc(F)c(F)c3)C2)N1CC1CCC1 ZINC000095375418 454199136 /nfs/dbraw/zinc/19/91/36/454199136.db2.gz KSFVEZDMBAZWNN-JKSUJKDBSA-N 1 1 334.410 3.188 50 0 EGAAMO Fc1cccnc1N1CCC[C@@H](c2[nH+]ccn2Cc2cscn2)C1 ZINC000095375151 454199201 /nfs/dbraw/zinc/19/92/01/454199201.db2.gz IGHLBWIVHNQGCB-CYBMUJFWSA-N 1 1 343.431 3.306 50 0 EGAAMO CSc1ccccc1C(=O)[C@H]1CCCN(c2cc(N)nc(C)[nH+]2)C1 ZINC000095389057 454200358 /nfs/dbraw/zinc/20/03/58/454200358.db2.gz QQSQPKXYTHQMCT-ZDUSSCGKSA-N 1 1 342.468 3.188 50 0 EGAAMO c1cn(-c2ccc(C[N@H+]3C[C@@H]4CC[C@H](C3)N(CC3CC3)C4)cc2)cn1 ZINC000095516694 454226088 /nfs/dbraw/zinc/22/60/88/454226088.db2.gz RYBZVPCTWJYRRM-PZJWPPBQSA-N 1 1 336.483 3.179 50 0 EGAAMO CN(C[C@H]1CCC[N@@H+](CCc2ccc(F)cc2)C1)C(=O)c1cc[nH]c1 ZINC000095529942 454229539 /nfs/dbraw/zinc/22/95/39/454229539.db2.gz WAWPTRWUBSAZAV-QGZVFWFLSA-N 1 1 343.446 3.181 50 0 EGAAMO Cc1ccc(NC(=O)N2CCCCCCC2)cc1NC(=O)C[NH+](C)C ZINC000096139587 454291373 /nfs/dbraw/zinc/29/13/73/454291373.db2.gz WGGSVECCOBAEBT-UHFFFAOYSA-N 1 1 346.475 3.293 50 0 EGAAMO C[C@H](C(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1)n1cccc1 ZINC000131880120 454293747 /nfs/dbraw/zinc/29/37/47/454293747.db2.gz QAMNOKFKOISLDT-LJQANCHMSA-N 1 1 339.483 3.216 50 0 EGAAMO Cc1cc2nc(C(C)C)cc(N3CC[NH+](Cc4ccco4)CC3)n2n1 ZINC000072430408 454296097 /nfs/dbraw/zinc/29/60/97/454296097.db2.gz UQKKYFGVBNTNQA-UHFFFAOYSA-N 1 1 339.443 3.076 50 0 EGAAMO CC(C)[N@H+]1CCC[C@H](C(=O)N2CCC(OCc3ccccc3)CC2)C1 ZINC000091350713 454430258 /nfs/dbraw/zinc/43/02/58/454430258.db2.gz QTYYORVEFVRALI-IBGZPJMESA-N 1 1 344.499 3.315 50 0 EGAAMO CC(C)Cc1noc([C@@H]2CCC[N@@H+](Cc3cncn3C(C)C)C2)n1 ZINC000097307527 454432493 /nfs/dbraw/zinc/43/24/93/454432493.db2.gz CFHHMMFUCDSYCV-OAHLLOKOSA-N 1 1 331.464 3.425 50 0 EGAAMO Cc1cc(C)c(C[N@@H+]2CCO[C@H](c3cccnc3)C2)c(-n2cccn2)c1 ZINC000097394118 454435434 /nfs/dbraw/zinc/43/54/34/454435434.db2.gz NYZMVLVKSDYPIF-NRFANRHFSA-N 1 1 348.450 3.458 50 0 EGAAMO Cc1cc(C)c(C[N@H+]2CCO[C@H](c3cccnc3)C2)c(-n2cccn2)c1 ZINC000097394118 454435440 /nfs/dbraw/zinc/43/54/40/454435440.db2.gz NYZMVLVKSDYPIF-NRFANRHFSA-N 1 1 348.450 3.458 50 0 EGAAMO Cc1[nH+]ccn1CC1(CNC(=O)c2c[nH]nc2-c2cccc(C)c2)CC1 ZINC000097604272 454441782 /nfs/dbraw/zinc/44/17/82/454441782.db2.gz IKWRLUQIPFRZIX-UHFFFAOYSA-N 1 1 349.438 3.100 50 0 EGAAMO CC(C)=CCN1C(=O)[C@H]2CC[C@@H]1C[N@H+](CCOCc1ccccc1)C2 ZINC000091643707 454454636 /nfs/dbraw/zinc/45/46/36/454454636.db2.gz ZSQTVCDOQBYUHA-VQTJNVASSA-N 1 1 342.483 3.092 50 0 EGAAMO Fc1ccc(CN2C[C@H]3CC[C@@H]2C[N@@H+](Cc2ccccn2)C3)c(F)c1 ZINC000091831029 454478569 /nfs/dbraw/zinc/47/85/69/454478569.db2.gz PKKXSSJALXPEBI-HNAYVOBHSA-N 1 1 343.421 3.456 50 0 EGAAMO Cc1cc(NCCc2c[nH+]c3ccccn23)nc(-c2cccnc2)n1 ZINC000065428754 454566593 /nfs/dbraw/zinc/56/65/93/454566593.db2.gz XGSBBKFMBKJRQV-UHFFFAOYSA-N 1 1 330.395 3.149 50 0 EGAAMO CC(C)Cc1cc(C[N@@H+]2CC[C@@H](c3ccc(F)cc3)[C@H](O)C2)[nH]n1 ZINC000065455471 454570265 /nfs/dbraw/zinc/57/02/65/454570265.db2.gz LTBHAQPWUPAOTG-RBUKOAKNSA-N 1 1 331.435 3.098 50 0 EGAAMO CC(C)Cc1cc(C[N@H+]2CC[C@@H](c3ccc(F)cc3)[C@H](O)C2)[nH]n1 ZINC000065455471 454570269 /nfs/dbraw/zinc/57/02/69/454570269.db2.gz LTBHAQPWUPAOTG-RBUKOAKNSA-N 1 1 331.435 3.098 50 0 EGAAMO COc1ccc(Cl)cc1C(=O)NC[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000223127491 456054247 /nfs/dbraw/zinc/05/42/47/456054247.db2.gz GXBHDWNNVDHHRF-ZDUSSCGKSA-N 1 1 336.863 3.343 50 0 EGAAMO O=C(Cc1ccc(F)cc1)N1CC[C@H]([N@H+]2CCc3ccccc3C2)C1 ZINC000225684569 456103266 /nfs/dbraw/zinc/10/32/66/456103266.db2.gz KEDAOHQDOUKPNP-FQEVSTJZSA-N 1 1 338.426 3.027 50 0 EGAAMO CN(C)c1cccc(-c2ccc(C(=O)N3CC[N@H+]4CCC[C@@H]4C3)cc2)c1 ZINC000426376370 457815873 /nfs/dbraw/zinc/81/58/73/457815873.db2.gz MUUPPZUHFVQZBS-OAQYLSRUSA-N 1 1 349.478 3.340 50 0 EGAAMO CC(=O)c1cc(C[N@H+]2CCCC[C@H]2CCn2ccnc2C)n(C)c1 ZINC000215109044 534817979 /nfs/dbraw/zinc/81/79/79/534817979.db2.gz QUEOADAOYAJYBV-SFHVURJKSA-N 1 1 328.460 3.177 50 0 EGAAMO CCO[C@H]1C[N@H+](Cc2ccc(SC3CCCCC3)o2)C[C@@H]1O ZINC000218987405 535634802 /nfs/dbraw/zinc/63/48/02/535634802.db2.gz UIQCWLNBUGMLTE-HOTGVXAUSA-N 1 1 325.474 3.286 50 0 EGAAMO CCO[C@H]1C[N@@H+](Cc2ccc(SC3CCCCC3)o2)C[C@@H]1O ZINC000218987405 535634808 /nfs/dbraw/zinc/63/48/08/535634808.db2.gz UIQCWLNBUGMLTE-HOTGVXAUSA-N 1 1 325.474 3.286 50 0 EGAAMO CC(C)Cc1noc([C@H]2CCC[N@H+](C3CSCCSC3)C2)n1 ZINC000670467536 548220178 /nfs/dbraw/zinc/22/01/78/548220178.db2.gz CXSGTKGZLWLUOC-ZDUSSCGKSA-N 1 1 341.546 3.296 50 0 EGAAMO Cc1nc([C@H]2OCC[C@H]2C[NH2+]C2CC(c3ccccc3Cl)C2)n[nH]1 ZINC000685940092 550456394 /nfs/dbraw/zinc/45/63/94/550456394.db2.gz OLXSDZCZWFKVHG-VWLISTAJSA-N 1 1 346.862 3.380 50 0 EGAAMO CCN(CC)C(=O)[C@H]1CCC[N@@H+](Cc2nc(-c3ccoc3)oc2C)C1 ZINC000011879500 1291129636 /nfs/dbraw/zinc/12/96/36/1291129636.db2.gz IMVLVMMPEGCUHS-HNNXBMFYSA-N 1 1 345.443 3.323 50 0 EGAAMO COc1ccc(F)cc1C(=O)[C@H]1CCC[N@H+](Cc2ccncc2)C1 ZINC000012307663 1291132091 /nfs/dbraw/zinc/13/20/91/1291132091.db2.gz OPJJVSZLDZKIBM-HNNXBMFYSA-N 1 1 328.387 3.324 50 0 EGAAMO COc1ccc(F)cc1C(=O)[C@H]1CCC[N@@H+](Cc2ccncc2)C1 ZINC000012307663 1291132093 /nfs/dbraw/zinc/13/20/93/1291132093.db2.gz OPJJVSZLDZKIBM-HNNXBMFYSA-N 1 1 328.387 3.324 50 0 EGAAMO O=C(Cc1c[nH]c2ccccc12)NC[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000888088574 1304031407 /nfs/dbraw/zinc/03/14/07/1304031407.db2.gz GJCIEWXEUGKKNU-BEFAXECRSA-N 1 1 325.456 3.091 50 0 EGAAMO C[N@@H+](C[C@H]1Cc2ccccc2O1)C1CCN(Cc2ccco2)CC1 ZINC000823664736 1320196132 /nfs/dbraw/zinc/19/61/32/1320196132.db2.gz DMNBIVQXECTROZ-LJQANCHMSA-N 1 1 326.440 3.180 50 0 EGAAMO CN(Cc1ccc2cc(Cl)ccc2n1)C[C@H]1CCC[N@@H+](CCO)C1 ZINC000952991847 1334631759 /nfs/dbraw/zinc/63/17/59/1334631759.db2.gz TXVMOLZAAWQHSU-OAHLLOKOSA-N 1 1 347.890 3.024 50 0 EGAAMO C[N@@H+](Cc1ccc2cc(Cl)ccc2n1)C[C@H]1CCCN(CCO)C1 ZINC000952991847 1334631761 /nfs/dbraw/zinc/63/17/61/1334631761.db2.gz TXVMOLZAAWQHSU-OAHLLOKOSA-N 1 1 347.890 3.024 50 0 EGAAMO C[N@H+](Cc1ccc2cc(Cl)ccc2n1)C[C@H]1CCCN(CCO)C1 ZINC000952991847 1334631765 /nfs/dbraw/zinc/63/17/65/1334631765.db2.gz TXVMOLZAAWQHSU-OAHLLOKOSA-N 1 1 347.890 3.024 50 0 EGAAMO O[C@@H]1C[N@@H+](Cc2cc(C3CCCCC3)no2)C[C@H]1Cc1ccccn1 ZINC001704298849 1416432738 /nfs/dbraw/zinc/43/27/38/1416432738.db2.gz KQLOTEQHUAIZLF-OXQOHEQNSA-N 1 1 341.455 3.153 50 0 EGAAMO Cc1cnc(NC[C@@H]2CCC[N@H+](C3CCCCC3)C2)nc1N(C)C ZINC001704316290 1416440275 /nfs/dbraw/zinc/44/02/75/1416440275.db2.gz XMOIDFUTCAYNHA-INIZCTEOSA-N 1 1 331.508 3.308 50 0 EGAAMO CC(C)CCOc1cccc(C[N@@H+](C)[C@H]2C[C@H]3CNC(=O)C[C@H]3C2)c1 ZINC001704325398 1416444676 /nfs/dbraw/zinc/44/46/76/1416444676.db2.gz JDKZGHWJMDYZJS-CEXWTWQISA-N 1 1 344.499 3.458 50 0 EGAAMO O[C@]1(c2ccccc2)CCC[C@@H]2CN(c3[nH+]cnc4[nH]ccc43)C[C@@H]21 ZINC001704337936 1416448716 /nfs/dbraw/zinc/44/87/16/1416448716.db2.gz IRNHOWGDFCGZRV-LIVBEALHSA-N 1 1 334.423 3.082 50 0 EGAAMO Cc1ncsc1C[N@@H+]1C[C@@H](Cc2ccc3ccccc3n2)[C@H](O)C1 ZINC001704340217 1416448865 /nfs/dbraw/zinc/44/88/65/1416448865.db2.gz QFLGUSSDPHXUNK-CRAIPNDOSA-N 1 1 339.464 3.035 50 0 EGAAMO Cc1cccc(NC(=O)C[N@H+]2CCCC[C@H]2CCn2cccn2)c1 ZINC001704347197 1416451246 /nfs/dbraw/zinc/45/12/46/1416451246.db2.gz JHVXSMSSIKQBNG-SFHVURJKSA-N 1 1 326.444 3.075 50 0 EGAAMO Cc1cnc(NCC[C@@H]2CCCC[N@H+]2C2CCCC2)nc1N(C)C ZINC001704353370 1416453892 /nfs/dbraw/zinc/45/38/92/1416453892.db2.gz UWYWWUFBIUTGQP-KRWDZBQOSA-N 1 1 331.508 3.450 50 0 EGAAMO Cc1cc(C)n(CCC[N@H+](C)C[C@H]2CC(c3ccccc3)=NO2)n1 ZINC001704353422 1416453927 /nfs/dbraw/zinc/45/39/27/1416453927.db2.gz WSRGBFKFIIHTPZ-GOSISDBHSA-N 1 1 326.444 3.015 50 0 EGAAMO CCc1[nH+]ccn1CCNC(=O)[C@@]1(c2ccccc2)CC12CCCC2 ZINC001704355570 1416454170 /nfs/dbraw/zinc/45/41/70/1416454170.db2.gz RJBMZNPAIXMGHG-NRFANRHFSA-N 1 1 337.467 3.464 50 0 EGAAMO C[N@H+](CC(=O)N1CCC[C@H]1c1nccs1)Cc1ccc(F)cc1 ZINC001704355181 1416454427 /nfs/dbraw/zinc/45/44/27/1416454427.db2.gz MTTAVTMNZIAFNH-HNNXBMFYSA-N 1 1 333.432 3.078 50 0 EGAAMO C[N@@H+](CC(=O)N1CCC[C@H]1c1nccs1)Cc1ccc(F)cc1 ZINC001704355181 1416454429 /nfs/dbraw/zinc/45/44/29/1416454429.db2.gz MTTAVTMNZIAFNH-HNNXBMFYSA-N 1 1 333.432 3.078 50 0 EGAAMO CCOc1cc(C[N@H+]2C[C@@H]3C[C@]3(C)C2)ccc1OCCn1ccnc1 ZINC001772808246 1441417358 /nfs/dbraw/zinc/41/73/58/1441417358.db2.gz KFSIFLJRXDQRSL-FXAWDEMLSA-N 1 1 341.455 3.203 50 0 EGAAMO CC(C)C(=O)N1CCC(OCC2=CCC[N@H+]([C@@H]3C=CCCC3)C2)CC1 ZINC000067473511 215151853 /nfs/dbraw/zinc/15/18/53/215151853.db2.gz QKGVGQIPMNMBAP-LJQANCHMSA-N 1 1 346.515 3.391 50 0 EGAAMO O=C(NC[C@H]1CC[N@@H+](C/C=C/c2ccccc2)C1)c1cccc(O)c1 ZINC000067489517 215153808 /nfs/dbraw/zinc/15/38/08/215153808.db2.gz MDAZXBPNAMFNAI-KRZKXXONSA-N 1 1 336.435 3.157 50 0 EGAAMO CCNC(=S)N1CC[NH+](C(c2ccccc2)c2ccccc2)CC1 ZINC000018122552 201993612 /nfs/dbraw/zinc/99/36/12/201993612.db2.gz KOEFAJPQUODCSX-UHFFFAOYSA-N 1 1 339.508 3.288 50 0 EGAAMO C[N@H+]1CCC[C@@H]1CCn1ccc(-c2cccc(-c3cnccn3)c2)n1 ZINC000019790709 202021172 /nfs/dbraw/zinc/02/11/72/202021172.db2.gz QJUXLNTZRZUOOT-GOSISDBHSA-N 1 1 333.439 3.491 50 0 EGAAMO Cc1ccc(CN2CC[N@@H+](CCc3ccccc3)[C@@H](CCO)C2)s1 ZINC000020149576 202033996 /nfs/dbraw/zinc/03/39/96/202033996.db2.gz KQHMPKJXLOTSIT-IBGZPJMESA-N 1 1 344.524 3.168 50 0 EGAAMO Cc1ccc(C[N@@H+]2CCN(CCc3ccccc3)[C@@H](CCO)C2)s1 ZINC000020149576 202034000 /nfs/dbraw/zinc/03/40/00/202034000.db2.gz KQHMPKJXLOTSIT-IBGZPJMESA-N 1 1 344.524 3.168 50 0 EGAAMO Cc1ccc(C[N@H+]2CCN(CCc3ccccc3)[C@@H](CCO)C2)s1 ZINC000020149576 202034004 /nfs/dbraw/zinc/03/40/04/202034004.db2.gz KQHMPKJXLOTSIT-IBGZPJMESA-N 1 1 344.524 3.168 50 0 EGAAMO Clc1cc(Br)ccc1OCCCC[NH+]1CCNCC1 ZINC000020272491 202036285 /nfs/dbraw/zinc/03/62/85/202036285.db2.gz UQLBURVBRKTGJD-UHFFFAOYSA-N 1 1 347.684 3.167 50 0 EGAAMO OCC[C@H]1CN(Cc2cccc3ncccc23)CC[N@H+]1C1CCCC1 ZINC000020452696 202043169 /nfs/dbraw/zinc/04/31/69/202043169.db2.gz UMTPARRIQBJHLI-IBGZPJMESA-N 1 1 339.483 3.046 50 0 EGAAMO CCOC(=O)N1CCC([N@H+]2CCO[C@@H](CC3CCCCC3)C2)CC1 ZINC000023337662 202101880 /nfs/dbraw/zinc/10/18/80/202101880.db2.gz JDAWRWNCKORMIN-SFHVURJKSA-N 1 1 338.492 3.279 50 0 EGAAMO CC(C)=CCN1CC[N@@H+](Cc2cc3ccccc3o2)C[C@@H]1CCO ZINC000023361221 202103035 /nfs/dbraw/zinc/10/30/35/202103035.db2.gz WWDZRJRRTBDIRI-SFHVURJKSA-N 1 1 328.456 3.268 50 0 EGAAMO CC(C)=CC[N@@H+]1CCN(Cc2cc3ccccc3o2)C[C@@H]1CCO ZINC000023361221 202103037 /nfs/dbraw/zinc/10/30/37/202103037.db2.gz WWDZRJRRTBDIRI-SFHVURJKSA-N 1 1 328.456 3.268 50 0 EGAAMO CC(C)=CC[N@H+]1CCN(Cc2cc3ccccc3o2)C[C@@H]1CCO ZINC000023361221 202103042 /nfs/dbraw/zinc/10/30/42/202103042.db2.gz WWDZRJRRTBDIRI-SFHVURJKSA-N 1 1 328.456 3.268 50 0 EGAAMO COC(=O)c1sccc1NC(=O)C[N@@H+](Cc1ccccc1)C(C)C ZINC000027234362 202152510 /nfs/dbraw/zinc/15/25/10/202152510.db2.gz NUKKRNPKZQTEIX-UHFFFAOYSA-N 1 1 346.452 3.384 50 0 EGAAMO Cc1c[nH]c(Cn2cnc3sc4c(c3c2=O)CCCCCC4)[nH+]1 ZINC000032541244 202226482 /nfs/dbraw/zinc/22/64/82/202226482.db2.gz WJUZQKWORJPHPM-UHFFFAOYSA-N 1 1 328.441 3.197 50 0 EGAAMO CCOc1cc2c(cc1C[N@@H+](C)[C@@H](C)Cc1cnccn1)CCC2 ZINC000215039568 241102399 /nfs/dbraw/zinc/10/23/99/241102399.db2.gz WHXXBNFHKHRBJF-HNNXBMFYSA-N 1 1 325.456 3.427 50 0 EGAAMO CN(CCc1nc2cc(Cl)ccc2[nH]1)CC[N@H+]1C[C@H]2CC[C@@H]1C2 ZINC000243915015 243033642 /nfs/dbraw/zinc/03/36/42/243033642.db2.gz BLNWPKKQFPHNOB-DZGCQCFKSA-N 1 1 332.879 3.175 50 0 EGAAMO CN(CCc1nc2ccc(Cl)cc2[nH]1)CC[N@@H+]1C[C@H]2CC[C@@H]1C2 ZINC000243915015 243033646 /nfs/dbraw/zinc/03/36/46/243033646.db2.gz BLNWPKKQFPHNOB-DZGCQCFKSA-N 1 1 332.879 3.175 50 0 EGAAMO CN(CCc1nc2ccc(Cl)cc2[nH]1)CC[N@H+]1C[C@H]2CC[C@@H]1C2 ZINC000243915015 243033653 /nfs/dbraw/zinc/03/36/53/243033653.db2.gz BLNWPKKQFPHNOB-DZGCQCFKSA-N 1 1 332.879 3.175 50 0 EGAAMO Cc1[nH+]ccn1-c1ccc(CNc2cc([C@H]3C[C@@H](O)C3)nc(C)n2)cc1 ZINC000244678684 243056578 /nfs/dbraw/zinc/05/65/78/243056578.db2.gz IIHIXTRBBILTKW-MAEOIBBWSA-N 1 1 349.438 3.130 50 0 EGAAMO COc1c[nH]c(C[N@H+]2CCC[C@@H](c3nc4ccccc4o3)C2)cc1=O ZINC000244690851 243058078 /nfs/dbraw/zinc/05/80/78/243058078.db2.gz IYBJXPRTYJURNE-CYBMUJFWSA-N 1 1 339.395 3.317 50 0 EGAAMO CSc1nccc(N2CC[NH+](C/C(C)=C/c3ccco3)CC2)n1 ZINC000065395683 202842506 /nfs/dbraw/zinc/84/25/06/202842506.db2.gz RDAAAHPXXDEELS-WYMLVPIESA-N 1 1 330.457 3.017 50 0 EGAAMO C[C@@H]1C[N@H+](C[C@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@H](C)C4=C[C@@H]32)C[C@H](C)O1 ZINC000020612357 212154914 /nfs/dbraw/zinc/15/49/14/212154914.db2.gz ATYCRKJZBGDSRF-PCGREHMXSA-N 1 1 347.499 3.410 50 0 biogenic EGAAMO Cc1cc(C[N@H+]2CC[C@@H](CNC(=O)c3c(F)cccc3F)C2)oc1C ZINC000067884827 202944551 /nfs/dbraw/zinc/94/45/51/202944551.db2.gz JADKHFSLNHJUMR-AWEZNQCLSA-N 1 1 348.393 3.427 50 0 EGAAMO Cc1cccnc1C[NH+]1CCN(c2nccc(C3CCCC3)n2)CC1 ZINC000071682213 203102293 /nfs/dbraw/zinc/10/22/93/203102293.db2.gz RGJLEHJZYRFIJB-UHFFFAOYSA-N 1 1 337.471 3.160 50 0 EGAAMO CC[C@H]1C[N@@H+](Cc2ncccc2C)CCC(=O)N1Cc1ccccc1 ZINC000071748137 203107193 /nfs/dbraw/zinc/10/71/93/203107193.db2.gz NILFSHLEMPBRRV-IBGZPJMESA-N 1 1 337.467 3.403 50 0 EGAAMO CCCc1oncc1C(=O)N1CCC[N@@H+](CC2CC2)[C@@H](C(C)C)C1 ZINC000071759883 203109654 /nfs/dbraw/zinc/10/96/54/203109654.db2.gz BXMITBGNFHFWPN-QGZVFWFLSA-N 1 1 333.476 3.210 50 0 EGAAMO CCn1nc(C)c(CN(C)C[C@@H]2Cc3ccccc3C[N@H+]2C)c1C ZINC000072127256 203165674 /nfs/dbraw/zinc/16/56/74/203165674.db2.gz YGFKIUGWVGVEOS-IBGZPJMESA-N 1 1 326.488 3.008 50 0 EGAAMO CCn1nc(C)c(C[N@H+](C)C[C@@H]2Cc3ccccc3CN2C)c1C ZINC000072127256 203165677 /nfs/dbraw/zinc/16/56/77/203165677.db2.gz YGFKIUGWVGVEOS-IBGZPJMESA-N 1 1 326.488 3.008 50 0 EGAAMO CCn1nc(C)c(C[N@@H+](C)C[C@@H]2Cc3ccccc3CN2C)c1C ZINC000072127256 203165680 /nfs/dbraw/zinc/16/56/80/203165680.db2.gz YGFKIUGWVGVEOS-IBGZPJMESA-N 1 1 326.488 3.008 50 0 EGAAMO C[N@@H+](Cc1ccc(-n2cccn2)cc1)Cc1cccc2nccnc12 ZINC000072153474 203174186 /nfs/dbraw/zinc/17/41/86/203174186.db2.gz QRBQFTKSHKVKJF-UHFFFAOYSA-N 1 1 329.407 3.448 50 0 EGAAMO O[C@@H]1CCC[N@@H+](CCCn2ccnc2-c2cc3ccccc3o2)C1 ZINC000072162989 203177303 /nfs/dbraw/zinc/17/73/03/203177303.db2.gz JVHHKNURLDJCJS-MRXNPFEDSA-N 1 1 325.412 3.143 50 0 EGAAMO COc1cccc(OCC[N@H+](C)C[C@@H]2CCCN3CCCC[C@H]23)c1 ZINC000072165926 203179539 /nfs/dbraw/zinc/17/95/39/203179539.db2.gz CDFRMIJQBQNBEJ-FXAWDEMLSA-N 1 1 332.488 3.270 50 0 EGAAMO COc1cccc(OCC[N@@H+](C)C[C@@H]2CCCN3CCCC[C@H]23)c1 ZINC000072165926 203179542 /nfs/dbraw/zinc/17/95/42/203179542.db2.gz CDFRMIJQBQNBEJ-FXAWDEMLSA-N 1 1 332.488 3.270 50 0 EGAAMO C[N@@H+](CCc1ccccc1)C1(C(=O)N2CC=CC2)Cc2ccccc2C1 ZINC000072173974 203182483 /nfs/dbraw/zinc/18/24/83/203182483.db2.gz SMKFPIVXSOSAMF-UHFFFAOYSA-N 1 1 346.474 3.097 50 0 EGAAMO CCN1C[C@]2(CCC[N@@H+](CCCC(=O)c3ccccc3)C2)CCC1=O ZINC000072469861 203229804 /nfs/dbraw/zinc/22/98/04/203229804.db2.gz LTGNLWWRYFOUGV-OAQYLSRUSA-N 1 1 342.483 3.374 50 0 EGAAMO CC(C)(O)CCc1ccc(C[N@@H+]2Cc3ccccc3[C@H](O)C2)cc1 ZINC000072430768 203223143 /nfs/dbraw/zinc/22/31/43/203223143.db2.gz KKKYOVMHWKABOV-HXUWFJFHSA-N 1 1 325.452 3.439 50 0 EGAAMO Cc1ccc2nc(N3CCC([N@H+]4CCC[C@@H](O)C4)CC3)sc2c1 ZINC000077286902 203377232 /nfs/dbraw/zinc/37/72/32/203377232.db2.gz ZBWYQGVZNNJFKL-OAHLLOKOSA-N 1 1 331.485 3.030 50 0 EGAAMO Cc1nccn1CC[C@H]1CCCC[N@H+]1Cc1ccc2c(c1)OCCO2 ZINC000077356691 203384062 /nfs/dbraw/zinc/38/40/62/203384062.db2.gz ZQRNGPYYWPQDPQ-GOSISDBHSA-N 1 1 341.455 3.408 50 0 EGAAMO Fc1ccc(-n2cccn2)c(C[N@H+]2CCC[C@@H](c3cc[nH]n3)C2)c1 ZINC000077455286 203389703 /nfs/dbraw/zinc/38/97/03/203389703.db2.gz HUCIYZHZHQEYJW-CQSZACIVSA-N 1 1 325.391 3.114 50 0 EGAAMO COc1cc(C[N@H+]2CCC[C@]3(CCC(=O)N(C4CC4)C3)C2)ccc1F ZINC000077504732 203392206 /nfs/dbraw/zinc/39/22/06/203392206.db2.gz OKHMZOSDIAMLTL-FQEVSTJZSA-N 1 1 346.446 3.201 50 0 EGAAMO c1nn(Cc2ccccc2)cc1C[NH2+]Cc1cccc2c1OCCCO2 ZINC000048711620 204355609 /nfs/dbraw/zinc/35/56/09/204355609.db2.gz NHXAYQUGWVCUAV-UHFFFAOYSA-N 1 1 349.434 3.383 50 0 EGAAMO O=C1C[C@@H](Nc2ccc([NH+]3CCCCC3)cc2)C(=O)N1C1CCCC1 ZINC000100792033 206256517 /nfs/dbraw/zinc/25/65/17/206256517.db2.gz REPNIPZMOIRGAY-GOSISDBHSA-N 1 1 341.455 3.159 50 0 EGAAMO CC(C)C[N@H+]1CC[C@H](CNC(=O)Cc2ccccc2C(F)(F)F)C1 ZINC000161640806 206361195 /nfs/dbraw/zinc/36/11/95/206361195.db2.gz MFTCNOYOWBNQKK-CQSZACIVSA-N 1 1 342.405 3.342 50 0 EGAAMO C[C@@H]1C[N@@H+](C[C@H](O)COc2ccccc2-c2ccccc2)C[C@H](C)O1 ZINC000012420079 211375171 /nfs/dbraw/zinc/37/51/71/211375171.db2.gz DTGMJUIAYYICOP-SCTDSRPQSA-N 1 1 341.451 3.203 50 0 EGAAMO C[C@@H]1C[N@H+](C[C@H](O)COc2ccccc2-c2ccccc2)C[C@H](C)O1 ZINC000012420079 211375174 /nfs/dbraw/zinc/37/51/74/211375174.db2.gz DTGMJUIAYYICOP-SCTDSRPQSA-N 1 1 341.451 3.203 50 0 EGAAMO C[NH+]1CCN(C(=O)Cn2c(-c3ccccc3)cc3ccccc32)CC1 ZINC000012533800 207166777 /nfs/dbraw/zinc/16/67/77/207166777.db2.gz VPADTHHLOZUHRF-UHFFFAOYSA-N 1 1 333.435 3.082 50 0 EGAAMO Cc1cc(Br)ccc1OCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000013153553 207361727 /nfs/dbraw/zinc/36/17/27/207361727.db2.gz YFMRKJXMKKLHBB-BETUJISGSA-N 1 1 328.250 3.246 50 0 EGAAMO Cc1cc(Br)ccc1OCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000013153553 207361733 /nfs/dbraw/zinc/36/17/33/207361733.db2.gz YFMRKJXMKKLHBB-BETUJISGSA-N 1 1 328.250 3.246 50 0 EGAAMO Cc1nccnc1N1CC[C@]2(C1)CCC[N@@H+](Cc1ccc(F)cc1)C2 ZINC000426619987 257961382 /nfs/dbraw/zinc/96/13/82/257961382.db2.gz GBXAOEYDYIKGMP-HXUWFJFHSA-N 1 1 340.446 3.417 50 0 EGAAMO C[N@H+]1CCC[C@H]1CCNC(=O)c1cccc(-c2ccccc2CO)c1 ZINC000426506546 257965676 /nfs/dbraw/zinc/96/56/76/257965676.db2.gz FBVWKWQCLAWGEQ-IBGZPJMESA-N 1 1 338.451 3.060 50 0 EGAAMO CN(C)c1cccc(-c2cccc(C(=O)NC[C@@H]3CC[N@@H+](C)C3)c2)c1 ZINC000299779789 258088820 /nfs/dbraw/zinc/08/88/20/258088820.db2.gz QKGRUZJNGGXARB-INIZCTEOSA-N 1 1 337.467 3.101 50 0 EGAAMO O=C(c1ccc(F)c(F)c1)N1CC[C@@H]([N@H+]2CCc3ccccc3C2)C1 ZINC000225684742 275012453 /nfs/dbraw/zinc/01/24/53/275012453.db2.gz WZHNZSACVOXWBW-QGZVFWFLSA-N 1 1 342.389 3.238 50 0 EGAAMO CCN(CC)C(=O)[C@H]1CCC[N@@H+](Cc2cc(C)c(OC)cc2C)C1 ZINC000016310232 276320148 /nfs/dbraw/zinc/32/01/48/276320148.db2.gz PLAHEXWVLRMHFU-KRWDZBQOSA-N 1 1 332.488 3.392 50 0 EGAAMO CC1=CC(C)(C)N(C)c2ccc(C(=S)N3CC[NH+](C)CC3)cc21 ZINC000226075287 278493752 /nfs/dbraw/zinc/49/37/52/278493752.db2.gz UTCFPAQRKNWAJC-UHFFFAOYSA-N 1 1 329.513 3.241 50 0 EGAAMO CN1CC[N@@H+](Cc2cccc(-n3cccn3)c2)C[C@H]1c1ccccc1 ZINC000244700961 455275372 /nfs/dbraw/zinc/27/53/72/455275372.db2.gz JXGZWEXVWDXOEC-NRFANRHFSA-N 1 1 332.451 3.361 50 0 EGAAMO C[N@@H+]1CCN(Cc2cccc(-n3cccn3)c2)C[C@H]1c1ccccc1 ZINC000244700961 455275378 /nfs/dbraw/zinc/27/53/78/455275378.db2.gz JXGZWEXVWDXOEC-NRFANRHFSA-N 1 1 332.451 3.361 50 0 EGAAMO C[N@H+]1CCN(Cc2cccc(-n3cccn3)c2)C[C@H]1c1ccccc1 ZINC000244700961 455275383 /nfs/dbraw/zinc/27/53/83/455275383.db2.gz JXGZWEXVWDXOEC-NRFANRHFSA-N 1 1 332.451 3.361 50 0 EGAAMO CCc1ccc(OCCOC[C@@H](O)C[N@@H+](C)C2CCCCC2)cc1 ZINC000004279159 452797693 /nfs/dbraw/zinc/79/76/93/452797693.db2.gz NHFRKZJOLJSRBO-IBGZPJMESA-N 1 1 335.488 3.270 50 0 EGAAMO O=C(C[NH2+]Cc1ccco1)Nc1ncc(Cc2ccc(F)cc2)s1 ZINC000004750058 452816968 /nfs/dbraw/zinc/81/69/68/452816968.db2.gz WVUOGWDIJQEBKA-UHFFFAOYSA-N 1 1 345.399 3.194 50 0 EGAAMO O=C1N(CCc2ccccc2)CCC[C@@]12CC[N@@H+](Cc1ccccn1)C2 ZINC000011821744 453334843 /nfs/dbraw/zinc/33/48/43/453334843.db2.gz PUJYZEUSVNRXAF-QFIPXVFZSA-N 1 1 349.478 3.139 50 0 EGAAMO O=C(CC[C@H]1CCC[N@@H+](Cc2c[nH]c3ccccc23)C1)NC1CC1 ZINC000011844390 453335663 /nfs/dbraw/zinc/33/56/63/453335663.db2.gz CWQHCINOBKSFQD-OAHLLOKOSA-N 1 1 325.456 3.439 50 0 EGAAMO CCOC(=O)[C@]1(Cc2ccccc2)CCC[N@@H+](Cc2cccnc2)C1 ZINC000011937712 453341026 /nfs/dbraw/zinc/34/10/26/453341026.db2.gz CUZYGVILJLAUID-NRFANRHFSA-N 1 1 338.451 3.470 50 0 EGAAMO Cc1cccc(C)c1Oc1ncccc1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC000012307890 453353731 /nfs/dbraw/zinc/35/37/31/453353731.db2.gz FJGYNCKEEQLOBZ-KRWDZBQOSA-N 1 1 339.439 3.059 50 0 EGAAMO O=C(Nc1cccc(-n2cccn2)c1)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000012588537 453378760 /nfs/dbraw/zinc/37/87/60/453378760.db2.gz ZWIFICYHQZLTJQ-FQEVSTJZSA-N 1 1 346.434 3.475 50 0 EGAAMO CC[C@H](C)[C@H]([NH3+])c1nnc(SCC(=O)Nc2cccc(C)c2C)o1 ZINC000013751588 453489131 /nfs/dbraw/zinc/48/91/31/453489131.db2.gz FRORKUJUIXITQV-BONVTDFDSA-N 1 1 348.472 3.463 50 0 EGAAMO OCCOc1ccc(C[N@H+]2CCC[C@H](Nc3ccccc3)C2)cc1 ZINC000015078116 453555028 /nfs/dbraw/zinc/55/50/28/453555028.db2.gz ZUXOXUZOLITASO-IBGZPJMESA-N 1 1 326.440 3.134 50 0 EGAAMO CCc1cc(OCCOCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1Cl ZINC000016247772 453598860 /nfs/dbraw/zinc/59/88/60/453598860.db2.gz YPMXSNJIRXONQM-GASCZTMLSA-N 1 1 341.879 3.407 50 0 EGAAMO CCc1cc(OCCOCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1Cl ZINC000016247772 453598864 /nfs/dbraw/zinc/59/88/64/453598864.db2.gz YPMXSNJIRXONQM-GASCZTMLSA-N 1 1 341.879 3.407 50 0 EGAAMO CC[C@H]1CN(C(=O)c2ccccc2N2CCCC2)CC[N@H+]1C(C)C ZINC000082160786 453927217 /nfs/dbraw/zinc/92/72/17/453927217.db2.gz DRMULJCRHOFELA-KRWDZBQOSA-N 1 1 329.488 3.232 50 0 EGAAMO Cc1ccc(-c2c[nH]nc2[C@@H]2CCCN(c3nc(N)cc[nH+]3)C2)cc1 ZINC000067642540 453952113 /nfs/dbraw/zinc/95/21/13/453952113.db2.gz YTDYVORNAVTVDH-OAHLLOKOSA-N 1 1 334.427 3.141 50 0 EGAAMO Cc1noc(C)c1C(=O)NC[C@H]1CC[N@@H+](Cc2ccc(C)c(C)c2)C1 ZINC000067654122 453953321 /nfs/dbraw/zinc/95/33/21/453953321.db2.gz WJSPMKNYDYAANQ-GOSISDBHSA-N 1 1 341.455 3.160 50 0 EGAAMO O=C(NC[C@H]1CC[N@@H+](Cc2ccsc2)C1)c1onc2ccccc21 ZINC000067726461 453960539 /nfs/dbraw/zinc/96/05/39/453960539.db2.gz LNQAFJFFIISBET-CYBMUJFWSA-N 1 1 341.436 3.141 50 0 EGAAMO Cc1ccc(NC(=O)NC[C@@H]2CC[N@@H+](Cc3cccc(O)c3)C2)cc1 ZINC000067805212 453967640 /nfs/dbraw/zinc/96/76/40/453967640.db2.gz YLPZUVRISYDCLX-KRWDZBQOSA-N 1 1 339.439 3.344 50 0 EGAAMO COc1c(Cl)cc(Cl)cc1C[N@@H+]1CCC[C@H](CNC(C)=O)C1 ZINC000067834008 453971470 /nfs/dbraw/zinc/97/14/70/453971470.db2.gz RQWQPDAEJKWDMH-GFCCVEGCSA-N 1 1 345.270 3.350 50 0 EGAAMO COc1c(Cl)cc(Cl)cc1C[N@H+]1CCC[C@H](CNC(C)=O)C1 ZINC000067834008 453971474 /nfs/dbraw/zinc/97/14/74/453971474.db2.gz RQWQPDAEJKWDMH-GFCCVEGCSA-N 1 1 345.270 3.350 50 0 EGAAMO Cc1nc([C@H](C)[N@H+](C)CCn2c3ccccc3oc2=O)c(C)s1 ZINC000067894597 453977731 /nfs/dbraw/zinc/97/77/31/453977731.db2.gz IPAPHSKLKUPQFV-NSHDSACASA-N 1 1 331.441 3.361 50 0 EGAAMO Cc1nc([C@H](C)[N@@H+](C)CCn2c3ccccc3oc2=O)c(C)s1 ZINC000067894597 453977733 /nfs/dbraw/zinc/97/77/33/453977733.db2.gz IPAPHSKLKUPQFV-NSHDSACASA-N 1 1 331.441 3.361 50 0 EGAAMO CCCN(C(=O)c1csnn1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000069348956 454097218 /nfs/dbraw/zinc/09/72/18/454097218.db2.gz LXMCBEAQMHPSKK-INIZCTEOSA-N 1 1 344.484 3.055 50 0 EGAAMO C[N@H+]1CCCC[C@H]1CCC(=O)NCc1cc(-c2cccc(F)c2)no1 ZINC000095369654 454198607 /nfs/dbraw/zinc/19/86/07/454198607.db2.gz UBRZGUKQVYKWCV-INIZCTEOSA-N 1 1 345.418 3.361 50 0 EGAAMO CCCCn1ccnc1[C@@H]1CCCN(C(=O)C[N@@H+](C)C2CCCC2)C1 ZINC000095375360 454198963 /nfs/dbraw/zinc/19/89/63/454198963.db2.gz IOJJEDNWFSPMLS-QGZVFWFLSA-N 1 1 346.519 3.264 50 0 EGAAMO C[N@H+]1CCCC[C@H]1CCC(=O)N1CCCN(c2ccc(F)cc2)CC1 ZINC000095381926 454200566 /nfs/dbraw/zinc/20/05/66/454200566.db2.gz MYMWSWGGPRCNSP-SFHVURJKSA-N 1 1 347.478 3.129 50 0 EGAAMO CC[N@H+]1CCC[C@H]1CNC(=O)c1cc(C(C)C)nn1-c1ccccc1 ZINC000095473110 454219947 /nfs/dbraw/zinc/21/99/47/454219947.db2.gz WPTINIYUVHXKRJ-KRWDZBQOSA-N 1 1 340.471 3.210 50 0 EGAAMO C[N@H+]1CCCN(C(=O)Nc2cccnc2Oc2ccccc2F)CC1 ZINC000095503785 454223341 /nfs/dbraw/zinc/22/33/41/454223341.db2.gz ULEPPHDONBPSAQ-UHFFFAOYSA-N 1 1 344.390 3.182 50 0 EGAAMO COc1cc(N2CCC(c3[nH+]ccn3Cc3ccccc3)CC2)ncn1 ZINC000095517545 454225940 /nfs/dbraw/zinc/22/59/40/454225940.db2.gz AAMIPOCYFCSNBG-UHFFFAOYSA-N 1 1 349.438 3.114 50 0 EGAAMO c1ccc([C@@H]2CC[N@H+](CCNc3nccc(-c4cccnc4)n3)C2)cc1 ZINC000096180488 454298482 /nfs/dbraw/zinc/29/84/82/454298482.db2.gz FXTBYJYYOILRQR-LJQANCHMSA-N 1 1 345.450 3.440 50 0 EGAAMO C[N@H+]1CCCCC[C@@H]1C(=O)NCCc1cccc(C(F)(F)F)c1 ZINC000097155798 454417217 /nfs/dbraw/zinc/41/72/17/454417217.db2.gz DZKJQQHJLNJXSV-OAHLLOKOSA-N 1 1 328.378 3.239 50 0 EGAAMO CC(C)Cc1noc([C@H]2CCC[N@@H+](Cc3cncn3C(C)C)C2)n1 ZINC000097307530 454432486 /nfs/dbraw/zinc/43/24/86/454432486.db2.gz CFHHMMFUCDSYCV-HNNXBMFYSA-N 1 1 331.464 3.425 50 0 EGAAMO Fc1cc(C[N@@H+]2CCCC[C@@H]2CN2CCOCC2)ccc1Cl ZINC000097527354 454438827 /nfs/dbraw/zinc/43/88/27/454438827.db2.gz PKZSOTXPTXGXTG-OAHLLOKOSA-N 1 1 326.843 3.166 50 0 EGAAMO Fc1cc(C[N@H+]2CCCC[C@@H]2CN2CCOCC2)ccc1Cl ZINC000097527354 454438832 /nfs/dbraw/zinc/43/88/32/454438832.db2.gz PKZSOTXPTXGXTG-OAHLLOKOSA-N 1 1 326.843 3.166 50 0 EGAAMO Fc1cc(CN2CCCC[C@@H]2C[NH+]2CCOCC2)ccc1Cl ZINC000097527354 454438834 /nfs/dbraw/zinc/43/88/34/454438834.db2.gz PKZSOTXPTXGXTG-OAHLLOKOSA-N 1 1 326.843 3.166 50 0 EGAAMO Cc1cc(C)n([C@@H]2CC[N@@H+](Cc3cnn(-c4cccc(F)c4)c3)C2)n1 ZINC000097529046 454440626 /nfs/dbraw/zinc/44/06/26/454440626.db2.gz BZBPYEZLIOOUDD-LJQANCHMSA-N 1 1 339.418 3.272 50 0 EGAAMO COCC[C@]1(O)CCN(c2cc(C(F)(F)F)cc(C)[nH+]2)C[C@H]1C ZINC000091526812 454443429 /nfs/dbraw/zinc/44/34/29/454443429.db2.gz GVIUXWBJMMOTFJ-IAQYHMDHSA-N 1 1 332.366 3.023 50 0 EGAAMO C[C@H]1CCCC[N@H+]1C1CN(C(=O)c2ccc3cccc(F)c3n2)C1 ZINC000097797425 454446475 /nfs/dbraw/zinc/44/64/75/454446475.db2.gz XOBVXVPCHDOILQ-ZDUSSCGKSA-N 1 1 327.403 3.073 50 0 EGAAMO OC[C@H]1CN(Cc2ccc3ccccc3c2)C[C@H]1C[NH+]1CCCCC1 ZINC000091651263 454454895 /nfs/dbraw/zinc/45/48/95/454454895.db2.gz VLWSSQPCWCYDFC-FGZHOGPDSA-N 1 1 338.495 3.366 50 0 EGAAMO Cn1c(C[N@H+]2C[C@H]3CC[C@@H](C2)C(=O)N3CC2CC2)cc2ccccc21 ZINC000091690163 454458731 /nfs/dbraw/zinc/45/87/31/454458731.db2.gz FHHUYSLQBJOPSL-ZWKOTPCHSA-N 1 1 337.467 3.011 50 0 EGAAMO C[C@@H]1C[N@@H+](Cc2ccc3c4c2cccc4C(=O)OC3)CC[C@]1(C)O ZINC000091829100 454478407 /nfs/dbraw/zinc/47/84/07/454478407.db2.gz RXKXJZUPPJVLFM-XCLFUZPHSA-N 1 1 325.408 3.103 50 0 EGAAMO COCCn1ccnc1[C@@H]1CCC[N@@H+](C/C=C/c2ccccc2)C1 ZINC000091965339 454497686 /nfs/dbraw/zinc/49/76/86/454497686.db2.gz CGVLYDTVEDGRMT-NTPDMAOXSA-N 1 1 325.456 3.422 50 0 EGAAMO CCOC(=O)N1CCC([N@@H+](C)Cc2ccc3ncccc3c2)CC1 ZINC000065396259 454559220 /nfs/dbraw/zinc/55/92/20/454559220.db2.gz XQUHNSNUQRKEAU-UHFFFAOYSA-N 1 1 327.428 3.288 50 0 EGAAMO COc1ccc(C[NH2+][C@@H](C)C(=O)Nc2ccc(C)cc2)c(F)c1F ZINC000065404501 454560068 /nfs/dbraw/zinc/56/00/68/454560068.db2.gz QARAGISFTOFDBN-LBPRGKRZSA-N 1 1 334.366 3.399 50 0 EGAAMO COC[C@H]1CCC[N@H+]1Cc1cccc(C(=O)Nc2ncc(C)s2)c1 ZINC000065435254 454567342 /nfs/dbraw/zinc/56/73/42/454567342.db2.gz PJNXYCGQWUZLAU-MRXNPFEDSA-N 1 1 345.468 3.315 50 0 EGAAMO O=C(Nc1nccc2ccccc21)c1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000065455698 454570933 /nfs/dbraw/zinc/57/09/33/454570933.db2.gz VIZMUEVRUOWIAV-SFHVURJKSA-N 1 1 347.418 3.054 50 0 EGAAMO CC[NH+](CC)Cc1nnc2cc(-c3nc(-c4ccccc4)no3)ccn21 ZINC000169777102 454931170 /nfs/dbraw/zinc/93/11/70/454931170.db2.gz LYOGICXEQSTFLP-UHFFFAOYSA-N 1 1 348.410 3.288 50 0 EGAAMO Cn1c(C(=O)NC[C@H]2CCC[N@H+]3CCCC[C@@H]23)cc2ccccc21 ZINC000170613332 454942160 /nfs/dbraw/zinc/94/21/60/454942160.db2.gz LGUQKRMIUZKWKL-AEFFLSMTSA-N 1 1 325.456 3.173 50 0 EGAAMO Cc1cccc(C)c1OCC[N@H+]1CCC[C@@H](c2nnc3n2CCC3)C1 ZINC000195520947 455978069 /nfs/dbraw/zinc/97/80/69/455978069.db2.gz MOPDCLAQHXDOQK-QGZVFWFLSA-N 1 1 340.471 3.100 50 0 EGAAMO Cc1[nH+]ccn1CCCNC(=O)C1(c2ccc(Cl)cc2)CCC1 ZINC000220291719 456039368 /nfs/dbraw/zinc/03/93/68/456039368.db2.gz IRWFNSQAMQSZOC-UHFFFAOYSA-N 1 1 331.847 3.473 50 0 EGAAMO CC(=O)c1cccc(C(=O)NC[C@@H]2CC[N@H+](C3CCCCC3)C2)c1 ZINC000222258750 456046662 /nfs/dbraw/zinc/04/66/62/456046662.db2.gz SFTGWZFXKBERJZ-INIZCTEOSA-N 1 1 328.456 3.274 50 0 EGAAMO C[N@H+]1CCCC2(CCN(C(=O)c3ccc(Cl)cc3O)CC2)CC1 ZINC000222535857 456047358 /nfs/dbraw/zinc/04/73/58/456047358.db2.gz VXQRRMJUBCWXPH-UHFFFAOYSA-N 1 1 336.863 3.384 50 0 EGAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc(-c2ccc(F)cn2)cc1 ZINC000426434610 457830190 /nfs/dbraw/zinc/83/01/90/457830190.db2.gz YMUSDSLZXULYGZ-QGZVFWFLSA-N 1 1 327.403 3.102 50 0 EGAAMO Cc1[nH+]ccn1CCCNC(=O)c1cccc(-c2ccncc2C)c1 ZINC000426712817 457882067 /nfs/dbraw/zinc/88/20/67/457882067.db2.gz VAJNXSPMKYYLEI-UHFFFAOYSA-N 1 1 334.423 3.382 50 0 EGAAMO O=C(c1ccoc1)N1CCC[N@@H+](CCCOCc2ccccc2)CC1 ZINC000373258497 458444832 /nfs/dbraw/zinc/44/48/32/458444832.db2.gz HNPXRHJARMHVPK-UHFFFAOYSA-N 1 1 342.439 3.034 50 0 EGAAMO Cc1ocnc1C(=O)NC[C@H](c1ccc(Cl)cc1)[NH+]1CCCC1 ZINC000534591659 459336861 /nfs/dbraw/zinc/33/68/61/459336861.db2.gz LMRSEWWSNPEUIJ-OAHLLOKOSA-N 1 1 333.819 3.203 50 0 EGAAMO CC[C@@H](NC(=O)c1ccc(-c2[nH+]c(C)[nH]c2C)cc1)c1cnn(C)c1 ZINC000584895348 459819842 /nfs/dbraw/zinc/81/98/42/459819842.db2.gz SIAAQPSDRRJCCX-QGZVFWFLSA-N 1 1 337.427 3.308 50 0 EGAAMO COCC[N@H+](Cc1ccccn1)Cc1cnc(OC)c2ccccc12 ZINC000585136527 459828811 /nfs/dbraw/zinc/82/88/11/459828811.db2.gz JNLNPMVMUHUSPD-UHFFFAOYSA-N 1 1 337.423 3.287 50 0 EGAAMO COCC[N@@H+](Cc1ccccn1)Cc1cnc(OC)c2ccccc12 ZINC000585136527 459828816 /nfs/dbraw/zinc/82/88/16/459828816.db2.gz JNLNPMVMUHUSPD-UHFFFAOYSA-N 1 1 337.423 3.287 50 0 EGAAMO CCOc1ccc(-c2ccc(C[N@H+]3CCC[C@H](NC(C)=O)C3)o2)cc1 ZINC000216539521 535692513 /nfs/dbraw/zinc/69/25/13/535692513.db2.gz WXRIWJXCWWODHK-KRWDZBQOSA-N 1 1 342.439 3.446 50 0 EGAAMO CCc1cccc(Cl)c1C[N@@H+]1CCC[C@@H]([NH+](C)CC(=O)[O-])CC1 ZINC000263526968 535888486 /nfs/dbraw/zinc/88/84/86/535888486.db2.gz UMFZGXYOZIHQRX-OAHLLOKOSA-N 1 1 338.879 3.273 50 0 EGAAMO CCc1cccc(Cl)c1C[N@H+]1CCC[C@@H]([NH+](C)CC(=O)[O-])CC1 ZINC000263526968 535888492 /nfs/dbraw/zinc/88/84/92/535888492.db2.gz UMFZGXYOZIHQRX-OAHLLOKOSA-N 1 1 338.879 3.273 50 0 EGAAMO CCc1cccc(Cl)c1C[NH+]1CCC[C@@H]([N@H+](C)CC(=O)[O-])CC1 ZINC000263526968 535888498 /nfs/dbraw/zinc/88/84/98/535888498.db2.gz UMFZGXYOZIHQRX-OAHLLOKOSA-N 1 1 338.879 3.273 50 0 EGAAMO CCc1cccc(Cl)c1C[NH+]1CCC[C@@H]([N@@H+](C)CC(=O)[O-])CC1 ZINC000263526968 535888499 /nfs/dbraw/zinc/88/84/99/535888499.db2.gz UMFZGXYOZIHQRX-OAHLLOKOSA-N 1 1 338.879 3.273 50 0 EGAAMO Cc1ccccc1CN1CC[N@H+](Cc2cccc(F)c2)CCC1=O ZINC000014952477 546518152 /nfs/dbraw/zinc/51/81/52/546518152.db2.gz MVEPBGIPCBYWQH-UHFFFAOYSA-N 1 1 326.415 3.369 50 0 EGAAMO Cc1ccccc1CN1CC[N@@H+](Cc2cccc(F)c2)CCC1=O ZINC000014952477 546518155 /nfs/dbraw/zinc/51/81/55/546518155.db2.gz MVEPBGIPCBYWQH-UHFFFAOYSA-N 1 1 326.415 3.369 50 0 EGAAMO CCOc1cccc2c(C)nc(NC3=[NH+]C(C)(C)C=C(C)N3)nc12 ZINC000575443841 548087166 /nfs/dbraw/zinc/08/71/66/548087166.db2.gz MKFBGCXLHBIAGI-UHFFFAOYSA-N 1 1 325.416 3.390 50 0 EGAAMO Cc1nnc([C@H]2CCC[N@H+](C3CCN(c4cccc(C)c4)CC3)C2)[nH]1 ZINC000670455605 548217811 /nfs/dbraw/zinc/21/78/11/548217811.db2.gz JBJXNQPQSNKRQE-KRWDZBQOSA-N 1 1 339.487 3.270 50 0 EGAAMO Cc1n[nH]c([C@H]2CCC[N@@H+](C3CCN(c4cccc(C)c4)CC3)C2)n1 ZINC000670455605 548217816 /nfs/dbraw/zinc/21/78/16/548217816.db2.gz JBJXNQPQSNKRQE-KRWDZBQOSA-N 1 1 339.487 3.270 50 0 EGAAMO Cc1n[nH]c([C@H]2CCC[N@H+](C3CCN(c4cccc(C)c4)CC3)C2)n1 ZINC000670455605 548217821 /nfs/dbraw/zinc/21/78/21/548217821.db2.gz JBJXNQPQSNKRQE-KRWDZBQOSA-N 1 1 339.487 3.270 50 0 EGAAMO Cc1nc([C@H]2CCC[N@@H+](C3CCN(c4cccc(C)c4)CC3)C2)n[nH]1 ZINC000670455605 548217827 /nfs/dbraw/zinc/21/78/27/548217827.db2.gz JBJXNQPQSNKRQE-KRWDZBQOSA-N 1 1 339.487 3.270 50 0 EGAAMO Cc1nc([C@H]2CCC[N@H+](C3CCN(c4cccc(C)c4)CC3)C2)n[nH]1 ZINC000670455605 548217832 /nfs/dbraw/zinc/21/78/32/548217832.db2.gz JBJXNQPQSNKRQE-KRWDZBQOSA-N 1 1 339.487 3.270 50 0 EGAAMO CN(Cc1ccccc1)C(=O)CCC1CC[NH+](Cc2ccon2)CC1 ZINC000012301990 1291132022 /nfs/dbraw/zinc/13/20/22/1291132022.db2.gz LGASUXMGOYRSKN-UHFFFAOYSA-N 1 1 341.455 3.325 50 0 EGAAMO COc1ccc(-c2nc(C[N@H+](C)[C@H]3CCOC3)c(C)o2)c(OC)c1C ZINC000012579585 1291133204 /nfs/dbraw/zinc/13/32/04/1291133204.db2.gz TUEFVRTYSPSZAK-AWEZNQCLSA-N 1 1 346.427 3.196 50 0 EGAAMO COc1ccc(-c2nc(C[N@@H+](C)[C@H]3CCOC3)c(C)o2)c(OC)c1C ZINC000012579585 1291133208 /nfs/dbraw/zinc/13/32/08/1291133208.db2.gz TUEFVRTYSPSZAK-AWEZNQCLSA-N 1 1 346.427 3.196 50 0 EGAAMO c1coc(C[N@H+]2CCC[C@@H](c3nnc(Cc4cccs4)[nH]3)C2)c1 ZINC000829076427 1292536353 /nfs/dbraw/zinc/53/63/53/1292536353.db2.gz JRVZHMQNHMJZCD-CYBMUJFWSA-N 1 1 328.441 3.430 50 0 EGAAMO C[C@@H](Oc1ccccc1F)C(=O)N[C@H]1CC[N@@H+](Cc2ccsc2)C1 ZINC000618256572 1298098836 /nfs/dbraw/zinc/09/88/36/1298098836.db2.gz KAEBKFIOXHOQHY-HIFRSBDPSA-N 1 1 348.443 3.045 50 0 EGAAMO Cc1ccc(Cl)c(C(=O)Nc2ccc(NC(=O)C[NH+](C)C)cc2)c1 ZINC000823676180 1320197357 /nfs/dbraw/zinc/19/73/57/1320197357.db2.gz PZDLZENUBSMQDN-UHFFFAOYSA-N 1 1 345.830 3.401 50 0 EGAAMO Cc1ccc(-c2nn3c(nnc3[C@@H]3CCC[N@H+](C)C3)s2)cc1C ZINC000823771481 1320205834 /nfs/dbraw/zinc/20/58/34/1320205834.db2.gz SCNCMHZJGWWRMG-CQSZACIVSA-N 1 1 327.457 3.279 50 0 EGAAMO CSc1ncc(C(=O)Nc2ccccc2Cn2cc[nH+]c2C)cn1 ZINC000824958836 1320300142 /nfs/dbraw/zinc/30/01/42/1320300142.db2.gz DCPKXUNLJVVSGI-UHFFFAOYSA-N 1 1 339.424 3.004 50 0 EGAAMO Cc1[nH+]ccn1Cc1ccccc1NC(=O)c1cccc2nccnc21 ZINC000825287225 1320324112 /nfs/dbraw/zinc/32/41/12/1320324112.db2.gz YSZZNIHBMSWMNM-UHFFFAOYSA-N 1 1 343.390 3.435 50 0 EGAAMO C[NH+](C)[C@@H](C(=O)NCCc1ccccc1Cl)c1cccc(F)c1 ZINC000826609376 1320390822 /nfs/dbraw/zinc/39/08/22/1320390822.db2.gz SIPWYGLADTVLAU-QGZVFWFLSA-N 1 1 334.822 3.441 50 0 EGAAMO CCOc1ccc2ccccc2c1CNCC[N@@H+]1CCC[C@@H](CO)C1 ZINC000952964135 1334625701 /nfs/dbraw/zinc/62/57/01/1334625701.db2.gz MJKUXCPNRRJHJQ-QGZVFWFLSA-N 1 1 342.483 3.032 50 0 EGAAMO CCOc1ccc2ccccc2c1CNCC[N@H+]1CCC[C@@H](CO)C1 ZINC000952964135 1334625705 /nfs/dbraw/zinc/62/57/05/1334625705.db2.gz MJKUXCPNRRJHJQ-QGZVFWFLSA-N 1 1 342.483 3.032 50 0 EGAAMO O=C(Cn1ccc2ccccc21)N[C@@H]1CC[N@@H+](Cc2ccsc2)C1 ZINC001016286151 1338535441 /nfs/dbraw/zinc/53/54/41/1338535441.db2.gz GUSKIRAWCAJDGJ-QGZVFWFLSA-N 1 1 339.464 3.094 50 0 EGAAMO O=C(CCCc1ccccc1)N1CCC[N@@H+](C[C@H]2CCCCO2)CC1 ZINC001197022873 1368732487 /nfs/dbraw/zinc/73/24/87/1368732487.db2.gz YFZYGCPSPVPOIA-HXUWFJFHSA-N 1 1 344.499 3.113 50 0 EGAAMO Cc1nc[nH]c1C[N@H+](CCO)Cc1ccc(OC2CCCC2)cc1 ZINC001704314401 1416439750 /nfs/dbraw/zinc/43/97/50/1416439750.db2.gz YXFXELYFJZOZRM-UHFFFAOYSA-N 1 1 329.444 3.034 50 0 EGAAMO Cc1nc[nH]c1C[N@@H+](CCO)Cc1ccc(OC2CCCC2)cc1 ZINC001704314401 1416439754 /nfs/dbraw/zinc/43/97/54/1416439754.db2.gz YXFXELYFJZOZRM-UHFFFAOYSA-N 1 1 329.444 3.034 50 0 EGAAMO Cc1ncc(CN(CC[NH+](C)C)C(=O)c2ccc(C(C)(C)C)cc2)[nH]1 ZINC001704316682 1416440648 /nfs/dbraw/zinc/44/06/48/1416440648.db2.gz ZZVUTLYXYVWTAM-UHFFFAOYSA-N 1 1 342.487 3.220 50 0 EGAAMO CC/C(C)=C/CC[N@H+]1CCCN(C(=O)c2cnc(C3CC3)nc2)CC1 ZINC001704347737 1416451783 /nfs/dbraw/zinc/45/17/83/1416451783.db2.gz OTOCMZUWOWVESR-OMCISZLKSA-N 1 1 342.487 3.248 50 0 EGAAMO Cc1n[nH]c(C)c1CC[N@@H+](C)CC(=O)Nc1ccc(Cl)c(C)c1 ZINC001704351356 1416453130 /nfs/dbraw/zinc/45/31/30/1416453130.db2.gz HQQZDJOJAQLJAE-UHFFFAOYSA-N 1 1 334.851 3.101 50 0 EGAAMO Cc1n[nH]c(C)c1CC[N@H+](C)CC(=O)Nc1ccc(Cl)c(C)c1 ZINC001704351356 1416453135 /nfs/dbraw/zinc/45/31/35/1416453135.db2.gz HQQZDJOJAQLJAE-UHFFFAOYSA-N 1 1 334.851 3.101 50 0 EGAAMO CO[C@H]1C[N@@H+](Cc2sccc2Cl)C[C@H]1Cc1cc(C)no1 ZINC001704353219 1416453731 /nfs/dbraw/zinc/45/37/31/1416453731.db2.gz KQPCJGAZEGRZTA-RISCZKNCSA-N 1 1 326.849 3.387 50 0 EGAAMO COc1ccc(C2(C(=O)N[C@H]3CCC[N@H+]4CCC[C@@H]34)CCCC2)cc1 ZINC001772810999 1441417584 /nfs/dbraw/zinc/41/75/84/1441417584.db2.gz QTAUJXMTGZVCHX-OALUTQOASA-N 1 1 342.483 3.250 50 0 EGAAMO CC(C)N1C[C@H](C[N@@H+](C)Cc2ccc3ncccc3c2)CCC1=O ZINC001772814981 1441417734 /nfs/dbraw/zinc/41/77/34/1441417734.db2.gz GLCLPRWAARVIMI-KRWDZBQOSA-N 1 1 325.456 3.314 50 0 EGAAMO Cc1[nH]c2ccccc2c1C(=O)C(=O)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000004163818 210136741 /nfs/dbraw/zinc/13/67/41/210136741.db2.gz XCZDAVNKJFSTDQ-AWEZNQCLSA-N 1 1 341.455 3.040 50 0 EGAAMO CC(C)(C)C[N@H+]1CCN(C/C=C/c2ccc(F)cc2)C[C@@H]1CCO ZINC000019220184 202000315 /nfs/dbraw/zinc/00/03/15/202000315.db2.gz QFBDTFMRZFZTRC-PXPVJAHISA-N 1 1 334.479 3.254 50 0 EGAAMO Cc1ncc(C[N@H+](C)[C@@H]2CCCN(Cc3ccccc3F)C2)cn1 ZINC000019839080 202022422 /nfs/dbraw/zinc/02/24/22/202022422.db2.gz BHOPTYJPAHGKMN-GOSISDBHSA-N 1 1 328.435 3.021 50 0 EGAAMO Cc1ncc(CN(C)[C@@H]2CCC[N@H+](Cc3ccccc3F)C2)cn1 ZINC000019839080 202022424 /nfs/dbraw/zinc/02/24/24/202022424.db2.gz BHOPTYJPAHGKMN-GOSISDBHSA-N 1 1 328.435 3.021 50 0 EGAAMO Cc1ncc(CN(C)[C@@H]2CCC[N@@H+](Cc3ccccc3F)C2)cn1 ZINC000019839080 202022428 /nfs/dbraw/zinc/02/24/28/202022428.db2.gz BHOPTYJPAHGKMN-GOSISDBHSA-N 1 1 328.435 3.021 50 0 EGAAMO CCn1ccnc1CN(C)[C@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000020149183 202034179 /nfs/dbraw/zinc/03/41/79/202034179.db2.gz CHYHXNVGQHSKEH-KRWDZBQOSA-N 1 1 330.451 3.139 50 0 EGAAMO C[NH+]1CCN(Cc2ccc(C(=O)c3ccccc3Cl)cc2)CC1 ZINC000022027929 202077292 /nfs/dbraw/zinc/07/72/92/202077292.db2.gz FFIONIBFQWFYDO-UHFFFAOYSA-N 1 1 328.843 3.318 50 0 EGAAMO C[NH+]1CCN(Cc2cccc(C(=O)c3ccc(Cl)c(F)c3)c2)CC1 ZINC000022028037 202077610 /nfs/dbraw/zinc/07/76/10/202077610.db2.gz DQGRRQOFIRHPJR-UHFFFAOYSA-N 1 1 346.833 3.458 50 0 EGAAMO CCc1ccc(CN2CC[N@@H+](Cc3cccs3)[C@@H](CCO)C2)cc1 ZINC000022919645 202095031 /nfs/dbraw/zinc/09/50/31/202095031.db2.gz OVXLVZREIGGUNG-IBGZPJMESA-N 1 1 344.524 3.379 50 0 EGAAMO CCc1ccc(C[N@@H+]2CCN(Cc3cccs3)[C@@H](CCO)C2)cc1 ZINC000022919645 202095035 /nfs/dbraw/zinc/09/50/35/202095035.db2.gz OVXLVZREIGGUNG-IBGZPJMESA-N 1 1 344.524 3.379 50 0 EGAAMO CCc1ccc(C[N@H+]2CCN(Cc3cccs3)[C@@H](CCO)C2)cc1 ZINC000022919645 202095038 /nfs/dbraw/zinc/09/50/38/202095038.db2.gz OVXLVZREIGGUNG-IBGZPJMESA-N 1 1 344.524 3.379 50 0 EGAAMO C[NH+]1CCN(C(=O)c2cccc(-c3ccc(C(F)(F)F)cn3)c2)CC1 ZINC000022996655 202096705 /nfs/dbraw/zinc/09/67/05/202096705.db2.gz WBOBIBGBOFDRAV-UHFFFAOYSA-N 1 1 349.356 3.155 50 0 EGAAMO Cc1cc(C[N@H+]2CCC[C@](CO)(Cc3cccc(Cl)c3)C2)[nH]n1 ZINC000012316891 202112176 /nfs/dbraw/zinc/11/21/76/202112176.db2.gz KJENACGLGLJLSR-SFHVURJKSA-N 1 1 333.863 3.189 50 0 EGAAMO CCn1ccnc1C[N@H+]1CCCC12CCN(c1cccc(C)n1)CC2 ZINC000072432660 216226827 /nfs/dbraw/zinc/22/68/27/216226827.db2.gz NLYSXTBVBGUKLJ-UHFFFAOYSA-N 1 1 339.487 3.241 50 0 EGAAMO C[N@@H+](Cc1cnc(-c2ccco2)nc1)C[C@@H]1COc2ccccc2O1 ZINC000215259210 241115347 /nfs/dbraw/zinc/11/53/47/241115347.db2.gz QYMDBNINEVVIFI-OAHLLOKOSA-N 1 1 337.379 3.008 50 0 EGAAMO C[N@H+](Cc1cnc(-c2ccco2)nc1)C[C@@H]1COc2ccccc2O1 ZINC000215259210 241115349 /nfs/dbraw/zinc/11/53/49/241115349.db2.gz QYMDBNINEVVIFI-OAHLLOKOSA-N 1 1 337.379 3.008 50 0 EGAAMO CCN(CCn1cccn1)Cc1cc(C[NH+]2CCCCC2)cs1 ZINC000216134682 241168052 /nfs/dbraw/zinc/16/80/52/241168052.db2.gz BKYBDOPMWCSVAL-UHFFFAOYSA-N 1 1 332.517 3.453 50 0 EGAAMO Cc1[nH+]ccn1CC[C@H]1CCCCN1C(=O)CCOc1ccccc1 ZINC000218986655 241356763 /nfs/dbraw/zinc/35/67/63/241356763.db2.gz SIQGBBULNUZHEZ-GOSISDBHSA-N 1 1 341.455 3.432 50 0 EGAAMO Cc1ccc2nc(CN3CC[NH+](C4CCSCC4)CC3)[nH]c2c1C ZINC000244764077 243075755 /nfs/dbraw/zinc/07/57/55/243075755.db2.gz PAZUGSQCVZCQEU-UHFFFAOYSA-N 1 1 344.528 3.193 50 0 EGAAMO Cc1ccccc1[C@H]1CC[N@@H+](CCn2cc(-c3cccc(O)c3)nn2)C1 ZINC000067674692 202923783 /nfs/dbraw/zinc/92/37/83/202923783.db2.gz GRIKNCHYOPMBIQ-SFHVURJKSA-N 1 1 348.450 3.449 50 0 EGAAMO O=C1CCCN1[C@@H]1CCC[N@H+](CC2=Cc3cc(Cl)ccc3OC2)C1 ZINC000071750346 203106033 /nfs/dbraw/zinc/10/60/33/203106033.db2.gz GVNAGQDGYSXZRS-QGZVFWFLSA-N 1 1 346.858 3.203 50 0 EGAAMO COC(=O)c1coc(C[N@@H+]2CCCC[C@H]2CCc2ccc(O)cc2)n1 ZINC000072156774 203174778 /nfs/dbraw/zinc/17/47/78/203174778.db2.gz QBHHILFGJVXRFD-HNNXBMFYSA-N 1 1 344.411 3.154 50 0 EGAAMO COC(=O)c1coc(C[N@H+]2CCCC[C@H]2CCc2ccc(O)cc2)n1 ZINC000072156774 203174782 /nfs/dbraw/zinc/17/47/82/203174782.db2.gz QBHHILFGJVXRFD-HNNXBMFYSA-N 1 1 344.411 3.154 50 0 EGAAMO Cn1ccnc1C(=O)[C@H]1CCC[N@@H+](CCSc2ccccc2)C1 ZINC000072161189 203176274 /nfs/dbraw/zinc/17/62/74/203176274.db2.gz YUOAMIWVVCDIIB-HNNXBMFYSA-N 1 1 329.469 3.107 50 0 EGAAMO COc1ccccc1[C@H]1C[N@@H+](Cc2ccccn2)[C@H]2[C@@H]1N1CCC2CC1 ZINC000072159405 203176320 /nfs/dbraw/zinc/17/63/20/203176320.db2.gz RFVUXBWCJLWLHX-CEMLEFRQSA-N 1 1 349.478 3.152 50 0 EGAAMO COc1ccccc1[C@H]1CN(Cc2ccccn2)[C@H]2[C@@H]1[NH+]1CCC2CC1 ZINC000072159405 203176324 /nfs/dbraw/zinc/17/63/24/203176324.db2.gz RFVUXBWCJLWLHX-CEMLEFRQSA-N 1 1 349.478 3.152 50 0 EGAAMO CC(C)Cn1cncc1C[N@H+]1CCC[C@]2(C1)c1ccccc1NC2=O ZINC000072162638 203178220 /nfs/dbraw/zinc/17/82/20/203178220.db2.gz FVWCATHFIVTEMQ-FQEVSTJZSA-N 1 1 338.455 3.025 50 0 EGAAMO Cc1nccn1CCC[N@H+]1CCC[C@H](C(=O)CCc2ccccc2)C1 ZINC000072166637 203179135 /nfs/dbraw/zinc/17/91/35/203179135.db2.gz SCQHVHJRYBSAJV-FQEVSTJZSA-N 1 1 339.483 3.496 50 0 EGAAMO CN(Cc1cccnc1N)[C@H]1CCC[N@@H+](CCCc2ccccc2)C1 ZINC000072169251 203181371 /nfs/dbraw/zinc/18/13/71/203181371.db2.gz SHKNFWLNOJSWDW-FQEVSTJZSA-N 1 1 338.499 3.193 50 0 EGAAMO CC1(C(=O)N2C[C@H](c3cc(F)cc(F)c3)[C@@H]3[C@H]2C2CC[NH+]3CC2)CC1 ZINC000072174101 203182189 /nfs/dbraw/zinc/18/21/89/203182189.db2.gz VBJIMYSDIGSJJW-KZNAEPCWSA-N 1 1 346.421 3.154 50 0 EGAAMO CC(C)Nc1n[nH]c2nc([C@@H]3CCC[NH2+]C3)cc(C(F)(F)F)c12 ZINC000072343462 203203902 /nfs/dbraw/zinc/20/39/02/203203902.db2.gz XKUBZZOCRNJHTK-SECBINFHSA-N 1 1 327.354 3.264 50 0 EGAAMO O=C1CC[C@@]2(CCC[N@@H+](Cc3ccncc3)C2)CN1Cc1ccccc1 ZINC000072447121 203226232 /nfs/dbraw/zinc/22/62/32/203226232.db2.gz PMHVLBQNSIOUPJ-JOCHJYFZSA-N 1 1 349.478 3.486 50 0 EGAAMO CN1C[C@@]2(CCC[N@@H+](Cc3ccc(-c4ccccn4)cc3)C2)OC1=O ZINC000072430000 203222412 /nfs/dbraw/zinc/22/24/12/203222412.db2.gz ATWSVBVQQZJCMH-HXUWFJFHSA-N 1 1 337.423 3.165 50 0 EGAAMO O=C1CC[C@H]2C[N@@H+](Cc3cccnc3)CC[C@H]2N1CCc1ccccc1 ZINC000072429546 203223431 /nfs/dbraw/zinc/22/34/31/203223431.db2.gz NLKWEMPTPXEILP-LEWJYISDSA-N 1 1 349.478 3.137 50 0 EGAAMO CCOC(=O)C[C@H]1CCCC[N@@H+]1Cc1cc(OC)c(OC)cc1F ZINC000077323118 203380525 /nfs/dbraw/zinc/38/05/25/203380525.db2.gz JUIXAQHRIOMDGL-CQSZACIVSA-N 1 1 339.407 3.151 50 0 EGAAMO CCOC(=O)C[C@H]1CCCC[N@H+]1Cc1cc(OC)c(OC)cc1F ZINC000077323118 203380529 /nfs/dbraw/zinc/38/05/29/203380529.db2.gz JUIXAQHRIOMDGL-CQSZACIVSA-N 1 1 339.407 3.151 50 0 EGAAMO Cc1cc2c(ncnc2N2CCC[C@H](Cn3cc[nH+]c3C)C2)s1 ZINC000077338078 203381451 /nfs/dbraw/zinc/38/14/51/203381451.db2.gz SELNSWNCKVLMCG-CQSZACIVSA-N 1 1 327.457 3.421 50 0 EGAAMO COc1ccc2[nH]c(C)c(C[N@H+]3CCc4ccccc4C3)c(=O)c2c1 ZINC000019793720 212069062 /nfs/dbraw/zinc/06/90/62/212069062.db2.gz OUUAUYOCSNETES-UHFFFAOYSA-N 1 1 334.419 3.403 50 0 EGAAMO Fc1ccc(-n2cccn2)c(C[N@H+]2CCC[C@H](c3cc[nH]n3)C2)c1 ZINC000077455284 203389208 /nfs/dbraw/zinc/38/92/08/203389208.db2.gz HUCIYZHZHQEYJW-AWEZNQCLSA-N 1 1 325.391 3.114 50 0 EGAAMO CCc1ccc(C[N@H+]2CCC[C@@]3(CCC(=O)N(CC4CC4)C3)C2)nc1 ZINC000077454798 203389535 /nfs/dbraw/zinc/38/95/35/203389535.db2.gz ZOECILOMIZVHOZ-OAQYLSRUSA-N 1 1 341.499 3.259 50 0 EGAAMO c1cn(CCc2csc(-c3cccnc3)n2)c([C@H]2CCOC2)[nH+]1 ZINC000077516838 203392692 /nfs/dbraw/zinc/39/26/92/203392692.db2.gz BGRZDPXTNURWGE-AWEZNQCLSA-N 1 1 326.425 3.148 50 0 EGAAMO COc1cccc(OC)c1C[N@H+]1CC[C@H](Cc2ccc(CO)cc2)C1 ZINC000091848181 203655039 /nfs/dbraw/zinc/65/50/39/203655039.db2.gz MWVJIZTZNGFEJU-GOSISDBHSA-N 1 1 341.451 3.261 50 0 EGAAMO Cc1cc(C)n(-c2cccc(C[N@H+](C)[C@@H](C)Cc3cnccn3)c2)n1 ZINC000097675534 203957995 /nfs/dbraw/zinc/95/79/95/203957995.db2.gz QLMVYBNJZABOTM-INIZCTEOSA-N 1 1 335.455 3.342 50 0 EGAAMO Cc1ccccc1[C@@H](C(=O)N(Cc1cnn(C)c1)CC(C)C)[NH+](C)C ZINC000101871655 204025731 /nfs/dbraw/zinc/02/57/31/204025731.db2.gz CRVJUAQBEBIBTA-IBGZPJMESA-N 1 1 342.487 3.016 50 0 EGAAMO COCCC[N@H+]1CCCN(C(=O)c2ccc3ccccc3c2)CC1 ZINC000377490789 169030863 /nfs/dbraw/zinc/03/08/63/169030863.db2.gz XFXNAUQLSIQDKE-UHFFFAOYSA-N 1 1 326.440 3.024 50 0 EGAAMO CN(C(=O)c1ccoc1)[C@@H]1CCC[N@@H+](CCCc2ccccc2)C1 ZINC000011661675 211230138 /nfs/dbraw/zinc/23/01/38/211230138.db2.gz QJOBXZZNOUCNEY-LJQANCHMSA-N 1 1 326.440 3.449 50 0 EGAAMO O=C(NCc1ccc(O)cc1)[C@H]1C[C@@H](c2ccccc2)[N@H+]2CCC[C@H]12 ZINC000299786635 258093856 /nfs/dbraw/zinc/09/38/56/258093856.db2.gz XFGAMMFGTHXUTH-ZCNNSNEGSA-N 1 1 336.435 3.234 50 0 EGAAMO COc1c2c(cc3c1[C@H](n1ccc4ccccc41)[N@@H+](C)CC3)OCO2 ZINC000020111826 286188534 /nfs/dbraw/zinc/18/85/34/286188534.db2.gz GCFFMCJNDXSLLS-FQEVSTJZSA-N 1 1 336.391 3.413 50 0 biogenic EGAAMO CC[NH+]1CCN(Cc2c(C)[nH]c3c(C)c(Cl)ccc3c2=O)CC1 ZINC000019793264 276196599 /nfs/dbraw/zinc/19/65/99/276196599.db2.gz STPGUGLADXDPBW-UHFFFAOYSA-N 1 1 333.863 3.348 50 0 EGAAMO CN1CCC[C@]2(CCN(c3cc[nH+]c4cc(Cl)ccc43)C2)C1=O ZINC000072436410 277087279 /nfs/dbraw/zinc/08/72/79/277087279.db2.gz XEVVCFQXPASPEB-GOSISDBHSA-N 1 1 329.831 3.337 50 0 EGAAMO Cc1cc(C)n(-c2ccc(F)cc2C[N@H+](C)CCc2cnn(C)c2)n1 ZINC000215921811 301234639 /nfs/dbraw/zinc/23/46/39/301234639.db2.gz INIISAGSGPPPEO-UHFFFAOYSA-N 1 1 341.434 3.036 50 0 EGAAMO CCOC(=O)C1CC[NH+](Cc2ccccc2Br)CC1 ZINC000000239261 452544328 /nfs/dbraw/zinc/54/43/28/452544328.db2.gz LKNAXXSNNLGERC-UHFFFAOYSA-N 1 1 326.234 3.224 50 0 EGAAMO COc1ccc(C[NH+]2CCN(c3ccccc3)CC2)c(OC)c1OC ZINC000000292359 452553854 /nfs/dbraw/zinc/55/38/54/452553854.db2.gz XBYFJKXAZQSVAR-UHFFFAOYSA-N 1 1 342.439 3.035 50 0 EGAAMO C[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(Cl)s2)N3)C1 ZINC000000290358 452555035 /nfs/dbraw/zinc/55/50/35/452555035.db2.gz OSNDWQPGWXOLJA-GFCCVEGCSA-N 1 1 339.873 3.305 50 0 EGAAMO C[N@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(Cl)s2)N3)C1 ZINC000000290358 452555046 /nfs/dbraw/zinc/55/50/46/452555046.db2.gz OSNDWQPGWXOLJA-GFCCVEGCSA-N 1 1 339.873 3.305 50 0 EGAAMO CCOc1ccccc1N1CC[NH+](Cc2ccc(OC)cc2)CC1 ZINC000000291901 452555232 /nfs/dbraw/zinc/55/52/32/452555232.db2.gz KVMWWQLWGLSDFA-UHFFFAOYSA-N 1 1 326.440 3.416 50 0 EGAAMO CC[C@H]1CCCC[N@H+]1C[C@H](O)COc1ccc2c(C)cc(=O)oc2c1 ZINC000004749970 452816990 /nfs/dbraw/zinc/81/69/90/452816990.db2.gz VWTJHCNAEQPSPB-HOTGVXAUSA-N 1 1 345.439 3.106 50 0 EGAAMO CCc1ncc(CN2CC[C@@]3(C2)CCC[N@@H+](CC2CCC2)C3)cn1 ZINC000011753547 453332763 /nfs/dbraw/zinc/33/27/63/453332763.db2.gz CZZUOQAUFGREKE-FQEVSTJZSA-N 1 1 328.504 3.127 50 0 EGAAMO O=C(CCc1ccco1)N[C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000012203556 453348999 /nfs/dbraw/zinc/34/89/99/453348999.db2.gz HPJQFRGJHTUXGU-GOSISDBHSA-N 1 1 326.440 3.036 50 0 EGAAMO CN(C)c1cccc(C(=O)N2CC[C@]3(C2)CCC[N@@H+](CC2CC2)C3)c1 ZINC000012303959 453353527 /nfs/dbraw/zinc/35/35/27/453353527.db2.gz BLYOATARNXFDNH-OAQYLSRUSA-N 1 1 341.499 3.091 50 0 EGAAMO COc1cccc(CC(=O)N[C@@H]2CCC[N@@H+](CC3CCCCC3)C2)c1 ZINC000012315241 453354489 /nfs/dbraw/zinc/35/44/89/453354489.db2.gz ZNVYBIUCODJGTA-LJQANCHMSA-N 1 1 344.499 3.399 50 0 EGAAMO CC(C)N1CCC([N@@H+]2CCC[C@H](C(=O)NC3CCCCC3)C2)CC1 ZINC000012386882 453358257 /nfs/dbraw/zinc/35/82/57/453358257.db2.gz HHNGTEZNMJRCMS-KRWDZBQOSA-N 1 1 335.536 3.020 50 0 EGAAMO CC(C)N1CCC([N@H+]2CCC[C@H](C(=O)NC3CCCCC3)C2)CC1 ZINC000012386882 453358269 /nfs/dbraw/zinc/35/82/69/453358269.db2.gz HHNGTEZNMJRCMS-KRWDZBQOSA-N 1 1 335.536 3.020 50 0 EGAAMO CCn1cc(C[N@@H+]2CCC[C@H](C(=O)c3cc(F)ccc3OC)C2)cn1 ZINC000012480708 453365448 /nfs/dbraw/zinc/36/54/48/453365448.db2.gz IWOZIRGAAPTNLL-HNNXBMFYSA-N 1 1 345.418 3.146 50 0 EGAAMO CCn1cc(C[N@H+]2CCC[C@H](C(=O)c3cc(F)ccc3OC)C2)cn1 ZINC000012480708 453365452 /nfs/dbraw/zinc/36/54/52/453365452.db2.gz IWOZIRGAAPTNLL-HNNXBMFYSA-N 1 1 345.418 3.146 50 0 EGAAMO COCc1ccc(C[N@H+]2CCC[C@](CO)(Cc3ccccc3)C2)o1 ZINC000012592704 453379515 /nfs/dbraw/zinc/37/95/15/453379515.db2.gz XIEVFWQSFRQWOR-FQEVSTJZSA-N 1 1 329.440 3.243 50 0 EGAAMO Cc1ccccc1C(=O)NCCC[N@@H+]1CCO[C@H](c2ccccc2)C1 ZINC000017135852 453630223 /nfs/dbraw/zinc/63/02/23/453630223.db2.gz WBUGZPZBAGOOCG-FQEVSTJZSA-N 1 1 338.451 3.188 50 0 EGAAMO Cc1ccccc1C(=O)NCCC[N@H+]1CCO[C@H](c2ccccc2)C1 ZINC000017135852 453630227 /nfs/dbraw/zinc/63/02/27/453630227.db2.gz WBUGZPZBAGOOCG-FQEVSTJZSA-N 1 1 338.451 3.188 50 0 EGAAMO CN1CC[NH+](CCOCCOc2c(Cl)ccc3ccccc32)CC1 ZINC000022937508 453702871 /nfs/dbraw/zinc/70/28/71/453702871.db2.gz MEFWDDMDNDRGHX-UHFFFAOYSA-N 1 1 348.874 3.136 50 0 EGAAMO Cc1ccc(-c2cccc(N3CCC([N@@H+]4CCNC(=O)C4)CC3)c2)cc1 ZINC000023250404 453707312 /nfs/dbraw/zinc/70/73/12/453707312.db2.gz YNLQZHNMTMWHNB-UHFFFAOYSA-N 1 1 349.478 3.063 50 0 EGAAMO Cc1ccc(-c2cccc(N3CCC([N@H+]4CCNC(=O)C4)CC3)c2)cc1 ZINC000023250404 453707317 /nfs/dbraw/zinc/70/73/17/453707317.db2.gz YNLQZHNMTMWHNB-UHFFFAOYSA-N 1 1 349.478 3.063 50 0 EGAAMO CCC[N@@H+]1CC(=O)N(c2cccc(OC)c2)C[C@H]1Cc1ccccc1 ZINC000082137872 453925851 /nfs/dbraw/zinc/92/58/51/453925851.db2.gz SEMDUBDBBLBHGV-LJQANCHMSA-N 1 1 338.451 3.365 50 0 EGAAMO CCC[N@H+]1CC(=O)N(c2cccc(OC)c2)C[C@H]1Cc1ccccc1 ZINC000082137872 453925854 /nfs/dbraw/zinc/92/58/54/453925854.db2.gz SEMDUBDBBLBHGV-LJQANCHMSA-N 1 1 338.451 3.365 50 0 EGAAMO Cc1[nH+]ccn1C[C@H]1CCCN(C(=O)c2ccc3ncccc3c2)C1 ZINC000082134117 453926135 /nfs/dbraw/zinc/92/61/35/453926135.db2.gz GRJFCXNGSOSRLS-MRXNPFEDSA-N 1 1 334.423 3.292 50 0 EGAAMO C/C(=C\c1ccco1)C[N@H+]1CC[C@H](CNC(=O)c2ccoc2C)C1 ZINC000067741622 453961193 /nfs/dbraw/zinc/96/11/93/453961193.db2.gz IISGPPZKLWABJV-HFQYIWAZSA-N 1 1 328.412 3.336 50 0 EGAAMO O=C(NC[C@H]1CC[N@H+](CCC(F)(F)F)C1)c1cc2ccccc2o1 ZINC000067769994 453964843 /nfs/dbraw/zinc/96/48/43/453964843.db2.gz ZCEXYVWMGFLEJS-GFCCVEGCSA-N 1 1 340.345 3.437 50 0 EGAAMO C[NH+](C)Cc1ccc(C(=O)N2CCO[C@@H](c3ccc(Cl)cc3)C2)o1 ZINC000067818123 453968960 /nfs/dbraw/zinc/96/89/60/453968960.db2.gz UABIJKUSHQJGRL-QGZVFWFLSA-N 1 1 348.830 3.208 50 0 EGAAMO O=C(NC[C@H]1CCC[N@@H+](Cc2ccco2)C1)c1ccc2cc[nH]c2c1 ZINC000067851018 453972643 /nfs/dbraw/zinc/97/26/43/453972643.db2.gz VHPWEHZIDDRIKG-OAHLLOKOSA-N 1 1 337.423 3.403 50 0 EGAAMO CCC(=O)Nc1ccc(NC(=O)CCn2cc[nH+]c2CC)cc1Cl ZINC000055414923 453983954 /nfs/dbraw/zinc/98/39/54/453983954.db2.gz OLGGMQPTECOXMV-UHFFFAOYSA-N 1 1 348.834 3.476 50 0 EGAAMO Cc1ncc(C[N@H+]2CC[C@@H](c3ccc4ccccc4c3)[C@H](O)C2)cn1 ZINC000067954712 453983955 /nfs/dbraw/zinc/98/39/55/453983955.db2.gz DPPYLUPKXDIZNG-LEWJYISDSA-N 1 1 333.435 3.289 50 0 EGAAMO CC[N@H+]1CCC[C@H](CNC(=O)CCc2nc3ccccc3s2)C1 ZINC000058268324 454176034 /nfs/dbraw/zinc/17/60/34/454176034.db2.gz UQVMVNWCZBFDGL-CQSZACIVSA-N 1 1 331.485 3.077 50 0 EGAAMO C[N@H+]1CCC[C@H](CCC(=O)NCc2cc(-c3cccc(F)c3)no2)C1 ZINC000095357905 454197736 /nfs/dbraw/zinc/19/77/36/454197736.db2.gz RZNQVJHGOXMKHF-CQSZACIVSA-N 1 1 345.418 3.219 50 0 EGAAMO C[N@H+]1CCCC[C@@H]1CCC(=O)NCc1cccc(N2CCCC2)c1 ZINC000095377719 454199243 /nfs/dbraw/zinc/19/92/43/454199243.db2.gz FLLMMIWNSZPZMU-GOSISDBHSA-N 1 1 329.488 3.168 50 0 EGAAMO CC(C)c1[nH+]ccn1[C@@H](C)C(=O)NCc1cc(-c2ccco2)on1 ZINC000095506619 454224043 /nfs/dbraw/zinc/22/40/43/454224043.db2.gz ACGDVBPSMGCAOR-LBPRGKRZSA-N 1 1 328.372 3.132 50 0 EGAAMO CNC(=O)C[N@H+]1CCC[C@H](CCc2ccccc2C(F)(F)F)C1 ZINC000072144088 454273120 /nfs/dbraw/zinc/27/31/20/454273120.db2.gz QDGZTTQWSDERSW-CYBMUJFWSA-N 1 1 328.378 3.096 50 0 EGAAMO C=Cc1cccc(C[N@H+]2C[C@H]3CC[C@@H]2CN(C(=O)c2ccccn2)C3)c1 ZINC000091412244 454433084 /nfs/dbraw/zinc/43/30/84/454433084.db2.gz ZVPBKGUZACTPNR-WOJBJXKFSA-N 1 1 347.462 3.461 50 0 EGAAMO COc1ccc(-n2cccn2)c(C[N@H+](C)Cc2c(C)noc2C)c1 ZINC000097475433 454437213 /nfs/dbraw/zinc/43/72/13/454437213.db2.gz WCJQAXPLHWLIJB-UHFFFAOYSA-N 1 1 326.400 3.118 50 0 EGAAMO COc1ccc(-n2cccn2)c(C[N@@H+](C)Cc2c(C)noc2C)c1 ZINC000097475433 454437218 /nfs/dbraw/zinc/43/72/18/454437218.db2.gz WCJQAXPLHWLIJB-UHFFFAOYSA-N 1 1 326.400 3.118 50 0 EGAAMO O=C(CC(F)(F)F)N1C[C@H]2CC[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000091468469 454439074 /nfs/dbraw/zinc/43/90/74/454439074.db2.gz YITVEZARBMUGRP-LSDHHAIUSA-N 1 1 326.362 3.062 50 0 EGAAMO COc1ccc(C[N@@H+]2CCc3[nH]nc(C4CC4)c3C2)c(OC)c1C ZINC000097674290 454442960 /nfs/dbraw/zinc/44/29/60/454442960.db2.gz ARWCGBIOPHRRHR-UHFFFAOYSA-N 1 1 327.428 3.171 50 0 EGAAMO COc1ccc(C[N@H+]2CCc3[nH]nc(C4CC4)c3C2)c(OC)c1C ZINC000097674290 454442964 /nfs/dbraw/zinc/44/29/64/454442964.db2.gz ARWCGBIOPHRRHR-UHFFFAOYSA-N 1 1 327.428 3.171 50 0 EGAAMO COc1ccc(C[N@@H+]2CCc3n[nH]c(C4CC4)c3C2)c(OC)c1C ZINC000097674290 454442967 /nfs/dbraw/zinc/44/29/67/454442967.db2.gz ARWCGBIOPHRRHR-UHFFFAOYSA-N 1 1 327.428 3.171 50 0 EGAAMO COc1ccc(C[N@H+]2CCc3n[nH]c(C4CC4)c3C2)c(OC)c1C ZINC000097674290 454442969 /nfs/dbraw/zinc/44/29/69/454442969.db2.gz ARWCGBIOPHRRHR-UHFFFAOYSA-N 1 1 327.428 3.171 50 0 EGAAMO Cc1cc[nH+]c(N2CCC[C@H](c3nccn3Cc3cccnc3)C2)c1 ZINC000091536178 454444801 /nfs/dbraw/zinc/44/48/01/454444801.db2.gz LBQIEDFWUZGVBR-SFHVURJKSA-N 1 1 333.439 3.414 50 0 EGAAMO C[NH+](C)Cc1ccc(C(=O)NCc2cc(C(F)(F)F)ccc2F)o1 ZINC000097729731 454444833 /nfs/dbraw/zinc/44/48/33/454444833.db2.gz DDXUUWGBUWGUAJ-UHFFFAOYSA-N 1 1 344.308 3.429 50 0 EGAAMO CC(C)[N@H+]1CCC[C@@H](CN(C)C(=O)CCc2ccc(N(C)C)cc2)C1 ZINC000091587108 454447878 /nfs/dbraw/zinc/44/78/78/454447878.db2.gz HPLOLHHGNUZSNV-IBGZPJMESA-N 1 1 345.531 3.264 50 0 EGAAMO Cc1[nH]c2c(c1CC(=O)NC[C@H]1CCCC[N@@H+]1C)c(C)ccc2C ZINC000091635456 454454283 /nfs/dbraw/zinc/45/42/83/454454283.db2.gz PRHHSQAXYFPQOY-MRXNPFEDSA-N 1 1 327.472 3.236 50 0 EGAAMO Cc1ccc2nccc(C(=O)N3C[C@H]4CC[C@H](C[N@@H+]4CC4CC4)C3)c2c1 ZINC000091706675 454460613 /nfs/dbraw/zinc/46/06/13/454460613.db2.gz OGSJDSIDTJINFJ-QZTJIDSGSA-N 1 1 349.478 3.490 50 0 EGAAMO Fc1cccnc1N1CCC(c2[nH+]ccn2Cc2ccccn2)CC1 ZINC000091707132 454460627 /nfs/dbraw/zinc/46/06/27/454460627.db2.gz VFJDBMIDNFEXGH-UHFFFAOYSA-N 1 1 337.402 3.245 50 0 EGAAMO Cc1noc(C)c1CN1C[C@H]2CC[C@H](C[N@@H+]2CCc2ccccc2)C1 ZINC000091736231 454464364 /nfs/dbraw/zinc/46/43/64/454464364.db2.gz YUPDSQHQPGTONH-VQTJNVASSA-N 1 1 339.483 3.430 50 0 EGAAMO CO[C@H]1C[C@@H](O)C12CCN(c1cc[nH+]c3ccc(Cl)cc31)CC2 ZINC000091807764 454474202 /nfs/dbraw/zinc/47/42/02/454474202.db2.gz YYOGBVSTZILRTI-SJORKVTESA-N 1 1 332.831 3.254 50 0 EGAAMO OCc1ccc(C[N@H+]2CCC[C@@H](c3nc(-c4ccccc4)no3)C2)o1 ZINC000065404671 454559938 /nfs/dbraw/zinc/55/99/38/454559938.db2.gz QDBDBNIRMPUGLQ-OAHLLOKOSA-N 1 1 339.395 3.202 50 0 EGAAMO C[C@H](c1ccc(-c2ccc(N3CCCC3)nn2)cc1)[NH+]1CCOCC1 ZINC000065418838 454564256 /nfs/dbraw/zinc/56/42/56/454564256.db2.gz COYZTFHQRQBQIT-MRXNPFEDSA-N 1 1 338.455 3.137 50 0 EGAAMO CC(C)c1noc(C2CCN(C(=O)CC[C@@H]3CCCC[N@H+]3C)CC2)n1 ZINC000065462976 454571526 /nfs/dbraw/zinc/57/15/26/454571526.db2.gz IFDNYTFSTHLICU-INIZCTEOSA-N 1 1 348.491 3.164 50 0 EGAAMO Cc1nc([C@H](C)[NH2+]CCC(=O)Nc2ccc(N(C)C)cc2)cs1 ZINC000065527372 454584417 /nfs/dbraw/zinc/58/44/17/454584417.db2.gz KKIVOJQFPADNMQ-LBPRGKRZSA-N 1 1 332.473 3.197 50 0 EGAAMO COc1ccc(OC)c([C@H]2CC[N@@H+](Cc3cccc4c3OCO4)C2)c1 ZINC000065535584 454586174 /nfs/dbraw/zinc/58/61/74/454586174.db2.gz CYSCXWKZLPWAMF-AWEZNQCLSA-N 1 1 341.407 3.422 50 0 EGAAMO CCOc1ccccc1NC(=O)CC[NH+]1CCC(c2ccn[nH]2)CC1 ZINC000136943760 454762116 /nfs/dbraw/zinc/76/21/16/454762116.db2.gz RFNLKTNVKVEGQJ-UHFFFAOYSA-N 1 1 342.443 3.017 50 0 EGAAMO CCc1nnc(NC(=O)CC[N@H+]2CCC[C@@H]2c2ccccc2)s1 ZINC000252510223 455818453 /nfs/dbraw/zinc/81/84/53/455818453.db2.gz ZEYRVPNELZSVPO-CQSZACIVSA-N 1 1 330.457 3.266 50 0 EGAAMO CC(=O)Nc1ccc(C[N@H+](C)Cc2ccccc2-n2cccn2)cc1 ZINC000215495183 456026201 /nfs/dbraw/zinc/02/62/01/456026201.db2.gz SADKXQGFYDUGDU-UHFFFAOYSA-N 1 1 334.423 3.463 50 0 EGAAMO CC(=O)c1cc(C[N@@H+]2CCCN(c3ccccc3C)CC2)n(C)c1 ZINC000215919572 456026971 /nfs/dbraw/zinc/02/69/71/456026971.db2.gz YHSWXBCCHSQYSK-UHFFFAOYSA-N 1 1 325.456 3.248 50 0 EGAAMO CC(=O)c1cc(C[N@H+]2CCCN(c3ccccc3C)CC2)n(C)c1 ZINC000215919572 456026977 /nfs/dbraw/zinc/02/69/77/456026977.db2.gz YHSWXBCCHSQYSK-UHFFFAOYSA-N 1 1 325.456 3.248 50 0 EGAAMO c1csc(CN2CCN(C[C@@H]3CCC[N@H+]4CCCC[C@H]34)CC2)c1 ZINC000299764369 456779748 /nfs/dbraw/zinc/77/97/48/456779748.db2.gz VBMXGUDONXHPDW-PKOBYXMFSA-N 1 1 333.545 3.130 50 0 EGAAMO CO[C@]12CC[N@@H+](Cc3ccncc3)[C@H]1C[C@@H](Oc1ccccn1)CC2 ZINC000426632931 457866445 /nfs/dbraw/zinc/86/64/45/457866445.db2.gz UVUOLDGJDRGVHW-CMKODMSKSA-N 1 1 339.439 3.068 50 0 EGAAMO Cc1ccc([C@H](NC(=O)N2CCC[N@H+](C)CC2)c2cccs2)cc1 ZINC000534584908 459335648 /nfs/dbraw/zinc/33/56/48/459335648.db2.gz UXTRMEBNNWEIGG-SFHVURJKSA-N 1 1 343.496 3.493 50 0 EGAAMO CC[C@@H](CNC(=O)N(C)Cc1cc2cc(F)ccc2[nH]1)[N@@H+](C)CC ZINC000534646457 459342032 /nfs/dbraw/zinc/34/20/32/459342032.db2.gz WSAUSMCQAOZDJQ-INIZCTEOSA-N 1 1 334.439 3.179 50 0 EGAAMO CC[C@@H](NC(=O)N(C)CCn1cc[nH+]c1C)c1nc(C)c(C)s1 ZINC000584894103 459819591 /nfs/dbraw/zinc/81/95/91/459819591.db2.gz QMDBSWNPBHCTMP-CQSZACIVSA-N 1 1 335.477 3.058 50 0 EGAAMO CNC(=O)c1ccc(C[N@H+](Cc2cc(OC)cc(OC)c2)C(C)C)o1 ZINC000244685583 536422179 /nfs/dbraw/zinc/42/21/79/536422179.db2.gz ISSCEPITXQYXNL-UHFFFAOYSA-N 1 1 346.427 3.067 50 0 EGAAMO CNC(=O)c1ccc(C[N@@H+](Cc2cc(OC)cc(OC)c2)C(C)C)o1 ZINC000244685583 536422181 /nfs/dbraw/zinc/42/21/81/536422181.db2.gz ISSCEPITXQYXNL-UHFFFAOYSA-N 1 1 346.427 3.067 50 0 EGAAMO COc1cc(C)sc1C(=O)N[C@H](C)C[N@H+]1CCc2ccccc2C1 ZINC000215558222 536708939 /nfs/dbraw/zinc/70/89/39/536708939.db2.gz XXRYTMXSPXAPLS-CYBMUJFWSA-N 1 1 344.480 3.242 50 0 EGAAMO COCC[N@H+](CC(=O)NC1CCCCCC1)Cc1ccc(C)s1 ZINC000244673639 536814433 /nfs/dbraw/zinc/81/44/33/536814433.db2.gz HTAYOEOQUYLNEC-UHFFFAOYSA-N 1 1 338.517 3.344 50 0 EGAAMO COCC[N@@H+](CC(=O)NC1CCCCCC1)Cc1ccc(C)s1 ZINC000244673639 536814441 /nfs/dbraw/zinc/81/44/41/536814441.db2.gz HTAYOEOQUYLNEC-UHFFFAOYSA-N 1 1 338.517 3.344 50 0 EGAAMO COc1cccc2[nH]c(C(=O)NC[C@@H]3CCC[N@H+]4CCCC[C@@H]34)cc21 ZINC000252522892 536924088 /nfs/dbraw/zinc/92/40/88/536924088.db2.gz BJBIPMBBRIDQLP-KSSFIOAISA-N 1 1 341.455 3.171 50 0 EGAAMO CCn1cc(CN(C)C(=O)c2cccc(-c3[nH+]c(C)[nH]c3C)c2)cn1 ZINC000584886178 548098713 /nfs/dbraw/zinc/09/87/13/548098713.db2.gz BHBWIFYJHDAJKF-UHFFFAOYSA-N 1 1 337.427 3.182 50 0 EGAAMO C[N@H+]1CCC[C@@H](c2nc(Cc3cccnc3)nn2Cc2ccccc2)C1 ZINC000670444693 548215362 /nfs/dbraw/zinc/21/53/62/548215362.db2.gz GKAOMHSVRAOGAX-LJQANCHMSA-N 1 1 347.466 3.121 50 0 EGAAMO COCCn1ccnc1C[N@@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000670438037 548215871 /nfs/dbraw/zinc/21/58/71/548215871.db2.gz NWVQTWHPVAWUOS-OAHLLOKOSA-N 1 1 340.427 3.050 50 0 EGAAMO COCCn1ccnc1C[N@H+]1CCC[C@@H](c2nc3ccccc3o2)C1 ZINC000670438037 548215872 /nfs/dbraw/zinc/21/58/72/548215872.db2.gz NWVQTWHPVAWUOS-OAHLLOKOSA-N 1 1 340.427 3.050 50 0 EGAAMO C[N@@H+]1CCC[C@H]1C(=O)NCc1cc(COc2ccccc2)cs1 ZINC000952962196 1334625487 /nfs/dbraw/zinc/62/54/87/1334625487.db2.gz ANXOEJUZQQGUSR-KRWDZBQOSA-N 1 1 330.453 3.038 50 0 EGAAMO C[N@H+]1CCC[C@H]1C(=O)NCc1cc(COc2ccccc2)cs1 ZINC000952962196 1334625492 /nfs/dbraw/zinc/62/54/92/1334625492.db2.gz ANXOEJUZQQGUSR-KRWDZBQOSA-N 1 1 330.453 3.038 50 0 EGAAMO Cc1n[nH]c(C)c1CCC[N@H+](C)Cc1cc(F)ccc1-n1cccn1 ZINC000952972931 1334627875 /nfs/dbraw/zinc/62/78/75/1334627875.db2.gz WSDHFNVRBSVRGQ-UHFFFAOYSA-N 1 1 341.434 3.416 50 0 EGAAMO Cc1nc(-c2cccc(NC(=O)[C@H](c3ccc(C)cc3)[NH+](C)C)c2)n[nH]1 ZINC000952989357 1334631476 /nfs/dbraw/zinc/63/14/76/1334631476.db2.gz IIGDMKVRTKGXEC-SFHVURJKSA-N 1 1 349.438 3.330 50 0 EGAAMO Cn1ccc2ccc(C[N@H+]3CCCN(C(=O)C4CCC4)CC3)cc21 ZINC001139203930 1377849984 /nfs/dbraw/zinc/84/99/84/1377849984.db2.gz DNHFEASHQQJCHE-UHFFFAOYSA-N 1 1 325.456 3.013 50 0 EGAAMO O[C@@H]1CCCN(c2cc[nH+]c(NCCCc3ccccc3Cl)n2)C1 ZINC001704297922 1416432874 /nfs/dbraw/zinc/43/28/74/1416432874.db2.gz ARNOETGJLZWXRQ-OAHLLOKOSA-N 1 1 346.862 3.136 50 0 EGAAMO O[C@@H]1C[N@H+](Cc2cc(C3CC3)on2)C[C@H]1Cc1ccnc2ccccc12 ZINC001704303176 1416434408 /nfs/dbraw/zinc/43/44/08/1416434408.db2.gz FOAFBSZDNXLZOR-OXQOHEQNSA-N 1 1 349.434 3.136 50 0 EGAAMO O[C@@H]1C[N@@H+](Cc2cc(C3CC3)on2)C[C@H]1Cc1ccnc2ccccc12 ZINC001704303176 1416434411 /nfs/dbraw/zinc/43/44/11/1416434411.db2.gz FOAFBSZDNXLZOR-OXQOHEQNSA-N 1 1 349.434 3.136 50 0 EGAAMO Cc1cnc(NC[C@H]2CCC[N@H+](C3CCCCC3)C2)nc1N(C)C ZINC001704316291 1416439987 /nfs/dbraw/zinc/43/99/87/1416439987.db2.gz XMOIDFUTCAYNHA-MRXNPFEDSA-N 1 1 331.508 3.308 50 0 EGAAMO Cc1ncc(Cl)c(NCC2([NH+]3CCOCC3)CCCCCC2)n1 ZINC001704330450 1416445813 /nfs/dbraw/zinc/44/58/13/1416445813.db2.gz JJVKVWAPIPGUAK-UHFFFAOYSA-N 1 1 338.883 3.276 50 0 EGAAMO CO[C@@H]1CCC[C@@]12CCCN(C(=O)C[N@H+](C)Cc1ccc(F)cc1)C2 ZINC001704339300 1416448671 /nfs/dbraw/zinc/44/86/71/1416448671.db2.gz QIENJBUGWSYFIE-QUCCMNQESA-N 1 1 348.462 3.065 50 0 EGAAMO CO[C@@H]1CCC[C@@]12CCCN(C(=O)C[N@@H+](C)Cc1ccc(F)cc1)C2 ZINC001704339300 1416448674 /nfs/dbraw/zinc/44/86/74/1416448674.db2.gz QIENJBUGWSYFIE-QUCCMNQESA-N 1 1 348.462 3.065 50 0 EGAAMO O[C@]1(c2ccccc2)CCC[C@@H]2C[N@@H+](Cc3cccc4nonc43)C[C@@H]21 ZINC001704340884 1416448997 /nfs/dbraw/zinc/44/89/97/1416448997.db2.gz WQMZONLLKOTPKF-YWMUFLPLSA-N 1 1 349.434 3.343 50 0 EGAAMO Cc1cccc(CCN2C[C@H]3C[NH2+]C[C@]3(CCc3ccccc3)C2)n1 ZINC001772809995 1441417527 /nfs/dbraw/zinc/41/75/27/1441417527.db2.gz BTVDPPGQXRQPNI-IFMALSPDSA-N 1 1 335.495 3.087 50 0 EGAAMO C[C@@H]1CCC[N@@H+](CCOc2ccccc2C(=O)C2CCOCC2)C1 ZINC001772814523 1441417645 /nfs/dbraw/zinc/41/76/45/1441417645.db2.gz DLFPFEHQPRGXAE-MRXNPFEDSA-N 1 1 331.456 3.407 50 0 EGAAMO COc1cccc(CC(=O)N[C@H]2CCC[N@@H+](CC3CCCCC3)C2)c1 ZINC000012315242 201838382 /nfs/dbraw/zinc/83/83/82/201838382.db2.gz ZNVYBIUCODJGTA-IBGZPJMESA-N 1 1 344.499 3.399 50 0 EGAAMO Cc1scc(C(=O)N2CC[NH+](CCc3ccccc3)CC2)c1C ZINC000016604441 201975711 /nfs/dbraw/zinc/97/57/11/201975711.db2.gz FEAZLKCNJJPQFD-UHFFFAOYSA-N 1 1 328.481 3.365 50 0 EGAAMO Brc1ccc(CN2CC[NH+](Cc3ccncc3)CC2)cc1 ZINC000019334223 202004322 /nfs/dbraw/zinc/00/43/22/202004322.db2.gz PORRAMDPAOUVRT-UHFFFAOYSA-N 1 1 346.272 3.162 50 0 EGAAMO COc1ccc(CN2CC[NH+](Cc3ccc(OC)cc3)CC2)cc1 ZINC000019555370 202011532 /nfs/dbraw/zinc/01/15/32/202011532.db2.gz PKZCPNIXOLDJNQ-UHFFFAOYSA-N 1 1 326.440 3.022 50 0 EGAAMO CN1CC[NH+](CCCOc2ccc(OCc3ccccc3)cc2)CC1 ZINC000020118111 202032910 /nfs/dbraw/zinc/03/29/10/202032910.db2.gz FLXUCVUMAOALGB-UHFFFAOYSA-N 1 1 340.467 3.282 50 0 EGAAMO COCc1cc(CN2CC[N@@H+](C)C[C@@H]2c2ccccc2)ccc1OC ZINC000020109870 202033086 /nfs/dbraw/zinc/03/30/86/202033086.db2.gz XWWXGFHHLDMMIP-HXUWFJFHSA-N 1 1 340.467 3.330 50 0 EGAAMO Cc1[nH]c2ccccc2c1[C@H](O)CN1CC[NH+](Cc2ccccc2)CC1 ZINC000020438183 202041353 /nfs/dbraw/zinc/04/13/53/202041353.db2.gz BMLGJLCTFKLNFU-OAQYLSRUSA-N 1 1 349.478 3.328 50 0 EGAAMO CC(C)CC[N@H+]1CCN(Cc2c[nH]c3ccccc23)C[C@@H]1CCO ZINC000020472453 202044401 /nfs/dbraw/zinc/04/44/01/202044401.db2.gz AZFUYQWOXPIEHM-SFHVURJKSA-N 1 1 329.488 3.083 50 0 EGAAMO CSc1ccc(CN2CC[N@@H+](CC=C(C)C)[C@@H](CCO)C2)cc1 ZINC000022932628 202095638 /nfs/dbraw/zinc/09/56/38/202095638.db2.gz BSVXFVLEQLBCOS-SFHVURJKSA-N 1 1 334.529 3.243 50 0 EGAAMO CC(C)=CCN1CC[N@@H+](Cc2cccc3cccnc32)C[C@@H]1CCO ZINC000022913202 202095881 /nfs/dbraw/zinc/09/58/81/202095881.db2.gz YCIWFQOYGLJSFL-FQEVSTJZSA-N 1 1 339.483 3.070 50 0 EGAAMO CC(C)=CC[N@@H+]1CCN(Cc2cccc3cccnc32)C[C@@H]1CCO ZINC000022913202 202095884 /nfs/dbraw/zinc/09/58/84/202095884.db2.gz YCIWFQOYGLJSFL-FQEVSTJZSA-N 1 1 339.483 3.070 50 0 EGAAMO CC(C)=CC[N@H+]1CCN(Cc2cccc3cccnc32)C[C@@H]1CCO ZINC000022913202 202095886 /nfs/dbraw/zinc/09/58/86/202095886.db2.gz YCIWFQOYGLJSFL-FQEVSTJZSA-N 1 1 339.483 3.070 50 0 EGAAMO OCC[C@H]1CN(CCCc2ccccc2)CC[N@H+]1C1CCCCC1 ZINC000023145569 202099531 /nfs/dbraw/zinc/09/95/31/202099531.db2.gz XRFXRTHFQJJDDZ-NRFANRHFSA-N 1 1 330.516 3.321 50 0 EGAAMO C[N@@H+](Cc1nc(-c2cnccn2)no1)C[C@]1(c2ccccc2)CC1(C)C ZINC000023337695 202101214 /nfs/dbraw/zinc/10/12/14/202101214.db2.gz JKSVHABZUNAUEQ-FQEVSTJZSA-N 1 1 349.438 3.326 50 0 EGAAMO CCOC(=O)N1CC[NH+](Cc2ccc(OC)c3ccccc23)CC1 ZINC000023281454 202101666 /nfs/dbraw/zinc/10/16/66/202101666.db2.gz CSGQWABXLLXEBI-UHFFFAOYSA-N 1 1 328.412 3.123 50 0 EGAAMO Cn1ccc2c1cccc2C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000036357937 202322680 /nfs/dbraw/zinc/32/26/80/202322680.db2.gz WFVKBGSHZBONCR-UHFFFAOYSA-N 1 1 333.435 3.136 50 0 EGAAMO CCC[N@H+]1CC2(C[C@H]1C(=O)[O-])CC[NH+](Cc1ccc(C)cc1)CC2 ZINC000072433894 216228307 /nfs/dbraw/zinc/22/83/07/216228307.db2.gz HYOMYLFTMZTZFZ-SFHVURJKSA-N 1 1 330.472 3.146 50 0 EGAAMO Clc1cccc(OC2CC[NH+](Cc3cnn4cccnc34)CC2)c1 ZINC000215814448 241146336 /nfs/dbraw/zinc/14/63/36/241146336.db2.gz OSWVWCSMLVSISY-UHFFFAOYSA-N 1 1 342.830 3.426 50 0 EGAAMO CC(C)(CN1CCC([C@H](O)Cc2ccccc2)CC1)C[NH+]1CCCC1 ZINC000215776019 241148022 /nfs/dbraw/zinc/14/80/22/241148022.db2.gz MCNGAHVDVXFPGN-OAQYLSRUSA-N 1 1 344.543 3.424 50 0 EGAAMO Cc1ccc(-c2cccc(C[N@H+]3CCC[C@@](CO)(CN(C)C)C3)c2)o1 ZINC000216104069 241163116 /nfs/dbraw/zinc/16/31/16/241163116.db2.gz VMCZTGZIRSDWGR-OAQYLSRUSA-N 1 1 342.483 3.391 50 0 EGAAMO Cc1ccc(-c2cccc(C[N@@H+]3CCC[C@@](CO)(CN(C)C)C3)c2)o1 ZINC000216104069 241163120 /nfs/dbraw/zinc/16/31/20/241163120.db2.gz VMCZTGZIRSDWGR-OAQYLSRUSA-N 1 1 342.483 3.391 50 0 EGAAMO COc1ccc(C[N@@H+]2CCOC3(CCCC3)C2)cc1Cn1cccn1 ZINC000216106239 241163324 /nfs/dbraw/zinc/16/33/24/241163324.db2.gz SYYSSRIDRKARJV-UHFFFAOYSA-N 1 1 341.455 3.085 50 0 EGAAMO COc1ccc(C[N@H+]2CCOC3(CCCC3)C2)cc1Cn1cccn1 ZINC000216106239 241163330 /nfs/dbraw/zinc/16/33/30/241163330.db2.gz SYYSSRIDRKARJV-UHFFFAOYSA-N 1 1 341.455 3.085 50 0 EGAAMO c1nnc([C@@H]2CCC[N@H+](Cc3cnc(C4CCCCC4)nc3)C2)[nH]1 ZINC000216515225 241198490 /nfs/dbraw/zinc/19/84/90/241198490.db2.gz SRCKGIUEYQARTR-MRXNPFEDSA-N 1 1 326.448 3.022 50 0 EGAAMO C[N@@H+](Cc1cnc(N2CCCC2)s1)C[C@H]1COc2ccccc2O1 ZINC000215409700 241123240 /nfs/dbraw/zinc/12/32/40/241123240.db2.gz RMVCAROMTPTOBW-AWEZNQCLSA-N 1 1 345.468 3.015 50 0 EGAAMO C[N@H+](Cc1cnc(N2CCCC2)s1)C[C@H]1COc2ccccc2O1 ZINC000215409700 241123243 /nfs/dbraw/zinc/12/32/43/241123243.db2.gz RMVCAROMTPTOBW-AWEZNQCLSA-N 1 1 345.468 3.015 50 0 EGAAMO Cc1nc(CC(=O)NC[C@@H]2CC[N@H+](C3CCCCC3)C2)c(C)s1 ZINC000244882827 243097546 /nfs/dbraw/zinc/09/75/46/243097546.db2.gz XZUDLPYNUVANRU-HNNXBMFYSA-N 1 1 335.517 3.073 50 0 EGAAMO CC[C@H]1C[N@@H+](Cc2cccc(C)n2)CCC(=O)N1Cc1ccccc1 ZINC000071439390 203096354 /nfs/dbraw/zinc/09/63/54/203096354.db2.gz DCGZNIWRWVATRI-FQEVSTJZSA-N 1 1 337.467 3.403 50 0 EGAAMO CC(C)[C@@H]1C[N@@H+](CCc2cn[nH]c2)CCCN1Cc1ccc(F)cc1 ZINC000071708089 203103043 /nfs/dbraw/zinc/10/30/43/203103043.db2.gz UUYHSTFBBJFGRY-FQEVSTJZSA-N 1 1 344.478 3.324 50 0 EGAAMO CC(C)[C@@H]1CN(CCc2cn[nH]c2)CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000071708089 203103047 /nfs/dbraw/zinc/10/30/47/203103047.db2.gz UUYHSTFBBJFGRY-FQEVSTJZSA-N 1 1 344.478 3.324 50 0 EGAAMO CC(C)[C@@H]1CN(CCc2cn[nH]c2)CCC[N@H+]1Cc1ccc(F)cc1 ZINC000071708089 203103051 /nfs/dbraw/zinc/10/30/51/203103051.db2.gz UUYHSTFBBJFGRY-FQEVSTJZSA-N 1 1 344.478 3.324 50 0 EGAAMO COc1ccc(F)c(-c2nc(C[N@H+]3CCC[C@H](OC)C3)c(C)o2)c1 ZINC000071752566 203108496 /nfs/dbraw/zinc/10/84/96/203108496.db2.gz WOQDVTAMDVHARU-AWEZNQCLSA-N 1 1 334.391 3.409 50 0 EGAAMO COc1ccc(F)c(-c2nc(C[N@@H+]3CCC[C@H](OC)C3)c(C)o2)c1 ZINC000071752566 203108498 /nfs/dbraw/zinc/10/84/98/203108498.db2.gz WOQDVTAMDVHARU-AWEZNQCLSA-N 1 1 334.391 3.409 50 0 EGAAMO CCCc1nnc2sc(CC[C@@H]3CCC[N@H+]4CCCC[C@H]34)nn12 ZINC000071759541 203109233 /nfs/dbraw/zinc/10/92/33/203109233.db2.gz FFXBAEWEVHKPFZ-UONOGXRCSA-N 1 1 333.505 3.335 50 0 EGAAMO CCNC(=O)C[N@H+]1CCC[C@H](CCc2ccccc2C(F)(F)F)C1 ZINC000072135531 203167752 /nfs/dbraw/zinc/16/77/52/203167752.db2.gz BWAQPNMCVMIOLX-CQSZACIVSA-N 1 1 342.405 3.486 50 0 EGAAMO CCN(CC)C(=O)C[N@H+]1CCC[C@@H](CCc2ccc(F)c(F)c2)C1 ZINC000072147989 203170970 /nfs/dbraw/zinc/17/09/70/203170970.db2.gz PGNKMTHETVEYQR-INIZCTEOSA-N 1 1 338.442 3.478 50 0 EGAAMO Cc1cc(N2CCCN(Cc3ccc4nsnc4c3)CC2)cc[nH+]1 ZINC000072154257 203175196 /nfs/dbraw/zinc/17/51/96/203175196.db2.gz VHAQATGZLRVDSZ-UHFFFAOYSA-N 1 1 339.468 3.107 50 0 EGAAMO Fc1cccc(C[N@@H+]2CCC[C@@]3(CCN(c4cnccn4)C3)C2)c1F ZINC000072409279 203216951 /nfs/dbraw/zinc/21/69/51/203216951.db2.gz BTWJGGLBENUMPN-LJQANCHMSA-N 1 1 344.409 3.247 50 0 EGAAMO Fc1cccc(C[N@H+]2CCC[C@@]3(CCN(c4cnccn4)C3)C2)c1F ZINC000072409279 203216955 /nfs/dbraw/zinc/21/69/55/203216955.db2.gz BTWJGGLBENUMPN-LJQANCHMSA-N 1 1 344.409 3.247 50 0 EGAAMO O=C1CC[C@@]2(CCC[N@H+](CCCCCF)C2)CN1Cc1ccccn1 ZINC000072419598 203218417 /nfs/dbraw/zinc/21/84/17/203218417.db2.gz YFOXCABYKACNPQ-HXUWFJFHSA-N 1 1 347.478 3.426 50 0 EGAAMO Cc1nn2c(nc(-c3ccccc3)cc2NCCc2[nH]cc[nH+]2)c1C ZINC000072419279 203218478 /nfs/dbraw/zinc/21/84/78/203218478.db2.gz FLRMQOSGEVGGPA-UHFFFAOYSA-N 1 1 332.411 3.391 50 0 EGAAMO C[N@@H+](Cc1cccc(-n2cccn2)c1)Cc1ccc2c(c1)OCCO2 ZINC000072429800 203222451 /nfs/dbraw/zinc/22/24/51/203222451.db2.gz WDKHOHBCOUWPRB-UHFFFAOYSA-N 1 1 335.407 3.276 50 0 EGAAMO Cc1noc(C)c1C[N@@H+](C)CCC(=O)Nc1ccc2c(c1)CCC2 ZINC000072514437 203233814 /nfs/dbraw/zinc/23/38/14/203233814.db2.gz QRDSZVMTUXZQIV-UHFFFAOYSA-N 1 1 327.428 3.241 50 0 EGAAMO CC(C)Cc1cc(C(=O)N(C)C[C@@H]2Cc3ccccc3C[N@@H+]2C)on1 ZINC000077298128 203378703 /nfs/dbraw/zinc/37/87/03/203378703.db2.gz UWWCDQVOWKVJGQ-SFHVURJKSA-N 1 1 341.455 3.002 50 0 EGAAMO CC(C)Cc1cc(C(=O)N(C)C[C@@H]2Cc3ccccc3C[N@H+]2C)on1 ZINC000077298128 203378707 /nfs/dbraw/zinc/37/87/07/203378707.db2.gz UWWCDQVOWKVJGQ-SFHVURJKSA-N 1 1 341.455 3.002 50 0 EGAAMO CCc1ccc2nc(C)cc(C(=O)N3CC[C@@H]4CC[C@H](C3)[N@H+]4C)c2c1 ZINC000077407935 203387712 /nfs/dbraw/zinc/38/77/12/203387712.db2.gz QIBMIUSOQUFFTB-DLBZAZTESA-N 1 1 337.467 3.414 50 0 EGAAMO CCCc1ccc(C[N@H+]2CCC[C@@]3(CCC(=O)N(CCOC)C3)C2)o1 ZINC000077503978 203392493 /nfs/dbraw/zinc/39/24/93/203392493.db2.gz GTYSRZFDKYIDLQ-HXUWFJFHSA-N 1 1 348.487 3.083 50 0 EGAAMO O=C(c1ccccn1)N1C[C@H]2CC[C@H](C[N@@H+]2CC2CCCCC2)C1 ZINC000091655804 203644741 /nfs/dbraw/zinc/64/47/41/203644741.db2.gz HDALMQHMEIVYJU-QZTJIDSGSA-N 1 1 327.472 3.198 50 0 EGAAMO O=C(CC[C@@H]1CCC[N@H+]2CCCC[C@H]12)N1CC(c2cccnc2)C1 ZINC000095507314 203751590 /nfs/dbraw/zinc/75/15/90/203751590.db2.gz SFJPSWYLJNAKGF-QFBILLFUSA-N 1 1 327.472 3.052 50 0 EGAAMO COc1ccc(C(=O)c2c[nH+]c3ccccc3c2N2CCOCC2)cc1 ZINC000101552021 204010204 /nfs/dbraw/zinc/01/02/04/204010204.db2.gz QDAMKUWZNWSYDK-UHFFFAOYSA-N 1 1 348.402 3.311 50 0 EGAAMO COc1ccc(C)c(NC(=O)NCCCNc2ccc(C)c[nH+]2)c1 ZINC000299777336 258087194 /nfs/dbraw/zinc/08/71/94/258087194.db2.gz DSUVPMOTCKELIU-UHFFFAOYSA-N 1 1 328.416 3.331 50 0 EGAAMO CO[C@@H]1CC[C@@]2(OC)CC[N@@H+](Cc3nc4ccccc4nc3C)[C@H]2C1 ZINC000299778438 258088176 /nfs/dbraw/zinc/08/81/76/258088176.db2.gz RWUVTSWVVKEWLN-UIAACRFSSA-N 1 1 341.455 3.097 50 0 EGAAMO O=C(NCCc1cscn1)[C@H]1C[C@@H](c2ccccc2)[N@H+]2CCC[C@H]12 ZINC000299779346 258088856 /nfs/dbraw/zinc/08/88/56/258088856.db2.gz QZCUBCOFVNKSHL-KSZLIROESA-N 1 1 341.480 3.027 50 0 EGAAMO Cc1noc(C)c1NC(=O)N1CCC[N@@H+](Cc2cccs2)CC1 ZINC000299783647 258091668 /nfs/dbraw/zinc/09/16/68/258091668.db2.gz XHUWGQUWIIUZCK-UHFFFAOYSA-N 1 1 334.445 3.093 50 0 EGAAMO CSCC[NH+]1CCN(C(=O)c2cc(C(F)(F)F)ccc2C)CC1 ZINC000299785200 258092487 /nfs/dbraw/zinc/09/24/87/258092487.db2.gz KJLHZZZISAVTLA-UHFFFAOYSA-N 1 1 346.418 3.135 50 0 EGAAMO CO[C@]12CC[N@@H+](Cc3ccccc3C(F)(F)F)[C@H]1C[C@@H](O)CC2 ZINC000299789620 258095465 /nfs/dbraw/zinc/09/54/65/258095465.db2.gz YUMRXWONECVBDF-CWRNSKLLSA-N 1 1 329.362 3.210 50 0 EGAAMO CCc1[nH+]ccn1CCCNC(=O)Nc1cc(C)c(OC)c(C)c1 ZINC000299790061 258096066 /nfs/dbraw/zinc/09/60/66/258096066.db2.gz BAZUJCMDTWWOLV-UHFFFAOYSA-N 1 1 330.432 3.283 50 0 EGAAMO CO[C@]12CC[N@@H+](Cc3[nH]c4ccccc4c3Cl)[C@H]1C[C@H](O)CC2 ZINC000299759185 258076958 /nfs/dbraw/zinc/07/69/58/258076958.db2.gz BARHSUYPVVNHBB-PZPSRYQVSA-N 1 1 334.847 3.326 50 0 EGAAMO CO[C@]12CC[N@@H+](Cc3scnc3C)[C@H]1C[C@H](OCC1CC1)CC2 ZINC000299762737 258079020 /nfs/dbraw/zinc/07/90/20/258079020.db2.gz YRBLMQGJHPTYCH-BPQIPLTHSA-N 1 1 336.501 3.390 50 0 EGAAMO O=C1CC[N@@H+](Cc2ccc3ccccc3c2)CCN1Cc1ccncc1 ZINC000299766888 258081334 /nfs/dbraw/zinc/08/13/34/258081334.db2.gz GQILWMGHDVCVKZ-UHFFFAOYSA-N 1 1 345.446 3.469 50 0 EGAAMO O[C@@H]1CCCOC12CCN(c1cc[nH+]c3cc(Cl)ccc31)CC2 ZINC000095375195 275053365 /nfs/dbraw/zinc/05/33/65/275053365.db2.gz KTWLASHDMZVICU-QGZVFWFLSA-N 1 1 332.831 3.399 50 0 EGAAMO Cc1ccc(NC(=O)CC[NH+](C)C[C@@H]2CC[N@@H+](C)C2(C)C)cc1F ZINC000244811340 455276609 /nfs/dbraw/zinc/27/66/09/455276609.db2.gz SAURJMXVSSETMF-HNNXBMFYSA-N 1 1 335.467 3.125 50 0 EGAAMO COc1ccc(OC)c(NC(=O)CC[N@@H+](C)Cc2ccccc2)c1 ZINC000000450489 452595705 /nfs/dbraw/zinc/59/57/05/452595705.db2.gz RNRHBUOTMBYIMH-UHFFFAOYSA-N 1 1 328.412 3.164 50 0 EGAAMO Cc1cccc(NC(=O)CSc2nnc([C@@H]([NH3+])C(C)C)o2)c1C ZINC000002367572 452695477 /nfs/dbraw/zinc/69/54/77/452695477.db2.gz JGROSDHJIGPRCQ-AWEZNQCLSA-N 1 1 334.445 3.073 50 0 EGAAMO O=C(CC[NH+]1CCN(c2ccccc2F)CC1)Nc1ccccc1F ZINC000002786358 452723788 /nfs/dbraw/zinc/72/37/88/452723788.db2.gz ZNBQFFOQYNKMNF-UHFFFAOYSA-N 1 1 345.393 3.116 50 0 EGAAMO CCOC(=O)[C@@H]1CCC[N@@H+](CCCCOc2cccc(OC)c2)C1 ZINC000006703650 452974313 /nfs/dbraw/zinc/97/43/13/452974313.db2.gz RTJIGLPANWGWLH-MRXNPFEDSA-N 1 1 335.444 3.129 50 0 EGAAMO COc1ccc(-c2nc(C[N@H+](C)CCn3ccnc3)c(C)o2)cc1C ZINC000011935351 453341179 /nfs/dbraw/zinc/34/11/79/453341179.db2.gz TVKKWSSCVALKBY-UHFFFAOYSA-N 1 1 340.427 3.296 50 0 EGAAMO COc1ccc(-c2nc(C[N@@H+](C)CCn3ccnc3)c(C)o2)cc1C ZINC000011935351 453341188 /nfs/dbraw/zinc/34/11/88/453341188.db2.gz TVKKWSSCVALKBY-UHFFFAOYSA-N 1 1 340.427 3.296 50 0 EGAAMO O=C1N(Cc2cccc(F)c2F)CCC[C@]12CC[N@H+](C1CCC1)C2 ZINC000012314529 453354702 /nfs/dbraw/zinc/35/47/02/453354702.db2.gz WRCPQOVOHCMJNY-LJQANCHMSA-N 1 1 334.410 3.332 50 0 EGAAMO C[N@H+]1CCCCC[C@H]1C(=O)NCc1cccnc1Oc1ccccc1 ZINC000012448154 453365196 /nfs/dbraw/zinc/36/51/96/453365196.db2.gz LZWBMVGQOJXUSU-SFHVURJKSA-N 1 1 339.439 3.365 50 0 EGAAMO CN(C(=O)c1cccnc1)[C@@H]1CCC[N@@H+](CCCc2ccccc2)C1 ZINC000014973653 453549464 /nfs/dbraw/zinc/54/94/64/453549464.db2.gz PTVWWVDBZGGIID-HXUWFJFHSA-N 1 1 337.467 3.251 50 0 EGAAMO CCN1C[C@H](C[N@@H+](C)Cc2nc(-c3ccc(F)cc3)oc2C)CC1=O ZINC000014961084 453549489 /nfs/dbraw/zinc/54/94/89/453549489.db2.gz ZDTIMGZNVIKBIB-AWEZNQCLSA-N 1 1 345.418 3.089 50 0 EGAAMO CCOC(=O)[C@@H]1CCC[N@@H+](CCCOc2ccc(C)cc2OC)C1 ZINC000016527157 453610683 /nfs/dbraw/zinc/61/06/83/453610683.db2.gz DPEQRCTYWSLJKX-MRXNPFEDSA-N 1 1 335.444 3.048 50 0 EGAAMO Clc1cccc(N2CCN([C@H]3CCC[N@H+](C4CCC4)C3)CC2)c1 ZINC000022892169 453700983 /nfs/dbraw/zinc/70/09/83/453700983.db2.gz PLXCWJYONICORG-IBGZPJMESA-N 1 1 333.907 3.479 50 0 EGAAMO Cn1ccnc1[C@@H]1CCC[N@@H+](Cc2cc3c(cc2Cl)OCO3)C1 ZINC000082096567 453923158 /nfs/dbraw/zinc/92/31/58/453923158.db2.gz IQDMBABFZJZQTE-GFCCVEGCSA-N 1 1 333.819 3.182 50 0 EGAAMO COc1ccccc1CC(=O)N1CCCC[C@H]1CCn1cc[nH+]c1C ZINC000082171070 453927141 /nfs/dbraw/zinc/92/71/41/453927141.db2.gz CLELNSULUBLINX-SFHVURJKSA-N 1 1 341.455 3.214 50 0 EGAAMO Cc1cccc(C(=O)NCCC[N@@H+]2CCO[C@H](c3ccccc3)C2)c1 ZINC000036700006 453929145 /nfs/dbraw/zinc/92/91/45/453929145.db2.gz MRQZPSIWHOUZIK-FQEVSTJZSA-N 1 1 338.451 3.188 50 0 EGAAMO Cc1cccc(C(=O)NCCC[N@H+]2CCO[C@H](c3ccccc3)C2)c1 ZINC000036700006 453929148 /nfs/dbraw/zinc/92/91/48/453929148.db2.gz MRQZPSIWHOUZIK-FQEVSTJZSA-N 1 1 338.451 3.188 50 0 EGAAMO CCC(CC)C[N@H+]1CCN(Cc2cccc(OC)c2)[C@H](CCO)C1 ZINC000039406299 453943685 /nfs/dbraw/zinc/94/36/85/453943685.db2.gz CFJIUTNGJIBCIZ-LJQANCHMSA-N 1 1 334.504 3.000 50 0 EGAAMO C[C@H](O)C[N@@H+]1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 ZINC000067676232 453955339 /nfs/dbraw/zinc/95/53/39/453955339.db2.gz OIUUEMMCRQWEBD-LBPRGKRZSA-N 1 1 333.815 3.288 50 0 EGAAMO C[C@H](O)C[N@H+]1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 ZINC000067676232 453955342 /nfs/dbraw/zinc/95/53/42/453955342.db2.gz OIUUEMMCRQWEBD-LBPRGKRZSA-N 1 1 333.815 3.288 50 0 EGAAMO CN(CCCC[NH+]1CCOCC1)C(=O)CC12CC3CC(CC(C3)C1)C2 ZINC000055368612 453978378 /nfs/dbraw/zinc/97/83/78/453978378.db2.gz FYKJOPGQKCZSPK-UHFFFAOYSA-N 1 1 348.531 3.164 50 0 EGAAMO CN(Cc1cc(C2CC2)[nH]n1)C(=O)c1ccc([C@@H]2CCC[NH2+]C2)cc1 ZINC000095366639 454196941 /nfs/dbraw/zinc/19/69/41/454196941.db2.gz IUSHAKVRHIXTOZ-QGZVFWFLSA-N 1 1 338.455 3.026 50 0 EGAAMO Cc1ccc([C@@H](C(=O)NCc2cc(F)c(F)c(F)c2)[NH+](C)C)cc1 ZINC000095366140 454196957 /nfs/dbraw/zinc/19/69/57/454196957.db2.gz RKWLDJQTPARWKW-KRWDZBQOSA-N 1 1 336.357 3.331 50 0 EGAAMO Cc1ncsc1C(=O)N1C[C@H]2CC[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000095362000 454196986 /nfs/dbraw/zinc/19/69/86/454196986.db2.gz BQJSTBSMGBLPKO-DLBZAZTESA-N 1 1 341.480 3.188 50 0 EGAAMO O=C(c1ccc(O)cc1)N1C[C@H]2CC[C@H](C[N@@H+]2Cc2ccccc2)C1 ZINC000095358163 454197517 /nfs/dbraw/zinc/19/75/17/454197517.db2.gz TUSHOIAWRXTRIW-IEBWSBKVSA-N 1 1 336.435 3.129 50 0 EGAAMO Cc1ccccc1[C@H](C(=O)NCc1cc(F)c(F)cc1F)[NH+](C)C ZINC000095373694 454198474 /nfs/dbraw/zinc/19/84/74/454198474.db2.gz IYUALOZYJHRJET-QGZVFWFLSA-N 1 1 336.357 3.331 50 0 EGAAMO Cc1ccc2nc(C)c(C)c(C(=O)N3CC[N@H+]4CCCC[C@H]4C3)c2c1 ZINC000095367463 454198714 /nfs/dbraw/zinc/19/87/14/454198714.db2.gz JMGUAHBSNIXWFX-KRWDZBQOSA-N 1 1 337.467 3.470 50 0 EGAAMO COc1ccc(C(=O)N2C[C@H]3CC[C@H](C[N@@H+]3CC3CCC3)C2)cc1 ZINC000095373160 454198867 /nfs/dbraw/zinc/19/88/67/454198867.db2.gz PCXZEBGWYBVYIL-SJLPKXTDSA-N 1 1 328.456 3.032 50 0 EGAAMO CN(C/C=C/c1ccccc1)C(=O)[C@@H]1CCC[N@H+](C2CCOCC2)C1 ZINC000095368900 454199457 /nfs/dbraw/zinc/19/94/57/454199457.db2.gz JUFUTUAZZPVMRO-NTPDMAOXSA-N 1 1 342.483 3.049 50 0 EGAAMO CC(C)c1nnsc1C[N@H+]1CCC[C@@]2(C1)c1ccccc1NC2=O ZINC000072170547 454273694 /nfs/dbraw/zinc/27/36/94/454273694.db2.gz RWYJVIVBDYHGDO-GOSISDBHSA-N 1 1 342.468 3.147 50 0 EGAAMO CCCCn1nc(C2CCCC2)nc1C[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC000096138717 454291592 /nfs/dbraw/zinc/29/15/92/454291592.db2.gz WGHMTYWCYZFFRD-QGZVFWFLSA-N 1 1 334.508 3.388 50 0 EGAAMO CCCCn1nc(C2CCCC2)nc1C[C@@H]1C[N@H+](C(C)C)CCO1 ZINC000096138717 454291596 /nfs/dbraw/zinc/29/15/96/454291596.db2.gz WGHMTYWCYZFFRD-QGZVFWFLSA-N 1 1 334.508 3.388 50 0 EGAAMO C[N@H+]1Cc2ccccc2C[C@@H]1CNc1nccc(-c2ccncc2)n1 ZINC000096166637 454296615 /nfs/dbraw/zinc/29/66/15/454296615.db2.gz DKQWLBPJRNBLHT-GOSISDBHSA-N 1 1 331.423 3.007 50 0 EGAAMO CCn1ccc(C[NH+]2CCC3(CCC(=O)N(C4CCCC4)C3)CC2)n1 ZINC000091706720 454460740 /nfs/dbraw/zinc/46/07/40/454460740.db2.gz BHNNDEGTUBERBY-UHFFFAOYSA-N 1 1 344.503 3.050 50 0 EGAAMO Brc1ccc(C2=C[C@@H](c3ccco3)N3NC=NC3=[NH+]2)cc1 ZINC000100486276 454466441 /nfs/dbraw/zinc/46/64/41/454466441.db2.gz ONUKEHKGPGJRRA-ZDUSSCGKSA-N 1 1 343.184 3.342 50 0 EGAAMO O=C1[C@H]2CC[C@H](C[N@@H+](Cc3ccc4ccccc4n3)C2)N1CC1CCC1 ZINC000092078508 454517320 /nfs/dbraw/zinc/51/73/20/454517320.db2.gz FROPEPFIMNIEBI-AZUAARDMSA-N 1 1 349.478 3.458 50 0 EGAAMO C[C@@H](CN1CCc2ccccc2C1)[NH2+]Cc1nnc(-c2ccccc2)o1 ZINC000065373586 454555376 /nfs/dbraw/zinc/55/53/76/454555376.db2.gz VHNICXPVDOQCFN-INIZCTEOSA-N 1 1 348.450 3.273 50 0 EGAAMO C[C@@H](C[N@@H+]1CCc2ccccc2C1)NCc1nnc(-c2ccccc2)o1 ZINC000065373586 454555380 /nfs/dbraw/zinc/55/53/80/454555380.db2.gz VHNICXPVDOQCFN-INIZCTEOSA-N 1 1 348.450 3.273 50 0 EGAAMO C[C@@H](C[N@H+]1CCc2ccccc2C1)NCc1nnc(-c2ccccc2)o1 ZINC000065373586 454555383 /nfs/dbraw/zinc/55/53/83/454555383.db2.gz VHNICXPVDOQCFN-INIZCTEOSA-N 1 1 348.450 3.273 50 0 EGAAMO Cc1nccn1-c1ccc(-c2ccc([C@H](C)[NH+]3CCOCC3)cc2)nn1 ZINC000065387100 454557228 /nfs/dbraw/zinc/55/72/28/454557228.db2.gz KXISUGWBKUWRFL-HNNXBMFYSA-N 1 1 349.438 3.031 50 0 EGAAMO C[N@H+](CCC(=O)Nc1cc(F)ccc1F)CCC1CCOCC1 ZINC000065403323 454560392 /nfs/dbraw/zinc/56/03/92/454560392.db2.gz MXGYMLRWYFPZPT-UHFFFAOYSA-N 1 1 326.387 3.042 50 0 EGAAMO Cc1ncsc1CCC(=O)N1CCCC[C@H]1CCn1cc[nH+]c1C ZINC000065493011 454577436 /nfs/dbraw/zinc/57/74/36/454577436.db2.gz CBMPWGLIFLGYNT-INIZCTEOSA-N 1 1 346.500 3.360 50 0 EGAAMO COc1ccc(CN2CC[N@@H+](CCC=C(C)C)C[C@H]2CCO)cc1C ZINC000107010987 454736840 /nfs/dbraw/zinc/73/68/40/454736840.db2.gz KKKWQIVVVZGRPK-HXUWFJFHSA-N 1 1 346.515 3.229 50 0 EGAAMO Cc1ccc(NCCCNC(=O)CCc2c[nH]c3ccccc23)[nH+]c1 ZINC000172401277 455151528 /nfs/dbraw/zinc/15/15/28/455151528.db2.gz KAMIDTABOQXLLQ-UHFFFAOYSA-N 1 1 336.439 3.422 50 0 EGAAMO OC[C@@]1(O)CC[N@@H+](Cc2ccc(-c3cccc(Cl)c3Cl)o2)C1 ZINC000215705982 456025431 /nfs/dbraw/zinc/02/54/31/456025431.db2.gz CPZLQSFJJCIUIY-MRXNPFEDSA-N 1 1 342.222 3.183 50 0 EGAAMO O=C(NC[C@@H]1CC[N@H+](C2CCCC2)C1)c1ccc(N2CCCC2)cc1 ZINC000220260385 456038811 /nfs/dbraw/zinc/03/88/11/456038811.db2.gz JZFZEKPHCJUDEI-KRWDZBQOSA-N 1 1 341.499 3.281 50 0 EGAAMO CC[N@H+]1CCCC[C@H]1CNC(=O)N1CCC(c2cccc(O)c2)CC1 ZINC000426393061 457821445 /nfs/dbraw/zinc/82/14/45/457821445.db2.gz QIQRBJJYMYQEBD-SFHVURJKSA-N 1 1 345.487 3.156 50 0 EGAAMO Cc1[nH]c(C)c(-c2cccc(C(=O)N[C@H](C)Cc3cccnc3)c2)[nH+]1 ZINC000584892123 459819487 /nfs/dbraw/zinc/81/94/87/459819487.db2.gz IEZMXURGWPYOFM-CYBMUJFWSA-N 1 1 334.423 3.450 50 0 EGAAMO Cc1nc2ccccn2c1C[N@H+]1CCC[C@@H](OCc2cccnc2)C1 ZINC000019229542 527177608 /nfs/dbraw/zinc/17/76/08/527177608.db2.gz HCMUPEDSYKMUGN-GOSISDBHSA-N 1 1 336.439 3.219 50 0 EGAAMO CCCCc1ccc(-n2cc(CN3CC[N@@H+](C)[C@H](C)C3)cn2)cc1 ZINC000216062712 535082839 /nfs/dbraw/zinc/08/28/39/535082839.db2.gz MKHZDSPWPATOLK-QGZVFWFLSA-N 1 1 326.488 3.351 50 0 EGAAMO CC[N@@H+]1Cc2ccccc2C[C@@H]1C(=O)NCc1cc2ccccc2[nH]1 ZINC000214964145 535784465 /nfs/dbraw/zinc/78/44/65/535784465.db2.gz QWCOXIRQHBRHNW-HXUWFJFHSA-N 1 1 333.435 3.231 50 0 EGAAMO CC[N@H+]1Cc2ccccc2C[C@@H]1C(=O)NCc1cc2ccccc2[nH]1 ZINC000214964145 535784468 /nfs/dbraw/zinc/78/44/68/535784468.db2.gz QWCOXIRQHBRHNW-HXUWFJFHSA-N 1 1 333.435 3.231 50 0 EGAAMO COc1cccc(N2CCC([N@H+]3CCC[C@@H](c4cc[nH]n4)C3)CC2)c1 ZINC000670444381 548215399 /nfs/dbraw/zinc/21/53/99/548215399.db2.gz DUMJYLCRCJSZAR-MRXNPFEDSA-N 1 1 340.471 3.267 50 0 EGAAMO COc1cccc(N2CCC([N@@H+]3CCC[C@@H](c4ccn[nH]4)C3)CC2)c1 ZINC000670444381 548215402 /nfs/dbraw/zinc/21/54/02/548215402.db2.gz DUMJYLCRCJSZAR-MRXNPFEDSA-N 1 1 340.471 3.267 50 0 EGAAMO COc1cccc(N2CCC([N@H+]3CCC[C@@H](c4ccn[nH]4)C3)CC2)c1 ZINC000670444381 548215407 /nfs/dbraw/zinc/21/54/07/548215407.db2.gz DUMJYLCRCJSZAR-MRXNPFEDSA-N 1 1 340.471 3.267 50 0 EGAAMO Cc1c2ccccc2[nH]c1C[N@@H+](C)C[C@@H]1Cc2c(nc(C)nc2C)O1 ZINC000670452014 548218632 /nfs/dbraw/zinc/21/86/32/548218632.db2.gz YRSFXDKYGOJGNJ-HNNXBMFYSA-N 1 1 336.439 3.319 50 0 EGAAMO c1cnn(CC[C@H]2CCCC[N@@H+]2Cc2nc(-c3cccs3)no2)c1 ZINC000011720524 1291127570 /nfs/dbraw/zinc/12/75/70/1291127570.db2.gz AHGZPGFRPAOLQS-CQSZACIVSA-N 1 1 343.456 3.439 50 0 EGAAMO c1cnn(CC[C@H]2CCCC[N@H+]2Cc2nc(-c3cccs3)no2)c1 ZINC000011720524 1291127576 /nfs/dbraw/zinc/12/75/76/1291127576.db2.gz AHGZPGFRPAOLQS-CQSZACIVSA-N 1 1 343.456 3.439 50 0 EGAAMO Cc1cc(C(=O)NC[C@@H]2CC[N@@H+](Cc3ccncc3)C2)ccc1Cl ZINC000067714467 1292170389 /nfs/dbraw/zinc/17/03/89/1292170389.db2.gz MMTZPUAAXLQFMB-INIZCTEOSA-N 1 1 343.858 3.295 50 0 EGAAMO c1cc([C@H]2CCCCO2)oc1C[NH+]1CCC(Oc2ncccn2)CC1 ZINC000820408724 1319884447 /nfs/dbraw/zinc/88/44/47/1319884447.db2.gz JUWOBHHCQJHQAZ-QGZVFWFLSA-N 1 1 343.427 3.355 50 0 EGAAMO Cc1cc(C)n(CCC[N@H+](C)Cc2cnn(-c3cccc(F)c3)c2)n1 ZINC000823716280 1320200496 /nfs/dbraw/zinc/20/04/96/1320200496.db2.gz SZRFDGGWGTZKMH-UHFFFAOYSA-N 1 1 341.434 3.347 50 0 EGAAMO COc1ccc2c(c1)C=C(C[N@H+]1CC[C@@H](n3nc(C)cc3C)C1)CO2 ZINC000824750887 1320282715 /nfs/dbraw/zinc/28/27/15/1320282715.db2.gz FUFHZRIBPBTOTN-GOSISDBHSA-N 1 1 339.439 3.231 50 0 EGAAMO CCCN1C[C@H]([NH2+]Cc2nc3ccccc3n2CCC(C)C)CC1=O ZINC000952965878 1334626189 /nfs/dbraw/zinc/62/61/89/1334626189.db2.gz FZGDQAUETNUHRK-MRXNPFEDSA-N 1 1 342.487 3.183 50 0 EGAAMO CC[C@H]1C=CC[N@@H+]1Cc1ccccc1OCCCCN1CCOCC1 ZINC000952974930 1334628400 /nfs/dbraw/zinc/62/84/00/1334628400.db2.gz XHVILQPGFRFROG-FQEVSTJZSA-N 1 1 344.499 3.328 50 0 EGAAMO CC[C@H]1C=CC[N@H+]1Cc1ccccc1OCCCCN1CCOCC1 ZINC000952974930 1334628405 /nfs/dbraw/zinc/62/84/05/1334628405.db2.gz XHVILQPGFRFROG-FQEVSTJZSA-N 1 1 344.499 3.328 50 0 EGAAMO COc1ccc(CC[N@@H+](C)C2CSCCSC2)cc1OC ZINC000952980205 1334629437 /nfs/dbraw/zinc/62/94/37/1334629437.db2.gz YMXSBQVUAKWGIN-UHFFFAOYSA-N 1 1 327.515 3.027 50 0 EGAAMO C[N@@H+](Cc1cc(-c2cccnc2)no1)C[C@H]1COc2ccccc2O1 ZINC001704353049 1416453504 /nfs/dbraw/zinc/45/35/04/1416453504.db2.gz OUTXOFNZIUVAPM-INIZCTEOSA-N 1 1 337.379 3.008 50 0 EGAAMO C[N@H+](Cc1cc(-c2cccnc2)no1)C[C@H]1COc2ccccc2O1 ZINC001704353049 1416453508 /nfs/dbraw/zinc/45/35/08/1416453508.db2.gz OUTXOFNZIUVAPM-INIZCTEOSA-N 1 1 337.379 3.008 50 0 EGAAMO Cc1nc([C@@H]2CCCN2Cc2cc(C[NH+]3CCCCC3)cs2)n[nH]1 ZINC000097696308 219048897 /nfs/dbraw/zinc/04/88/97/219048897.db2.gz USLDWVGQLKEATC-KRWDZBQOSA-N 1 1 345.516 3.498 50 0 EGAAMO Cc1ncc(CO)c(C[N@H+]2CCCC[C@@H]2c2ccc(F)cc2)c1O ZINC000067675007 282157973 /nfs/dbraw/zinc/15/79/73/282157973.db2.gz KWUWWQLMNYPNPV-GOSISDBHSA-N 1 1 330.403 3.454 50 0 EGAAMO Cc1cc(OCC(=O)NC[C@H](c2ccco2)[NH+](C)C)ccc1Cl ZINC000007406428 201720105 /nfs/dbraw/zinc/72/01/05/201720105.db2.gz OMGGVPFSINIGPE-OAHLLOKOSA-N 1 1 336.819 3.039 50 0 EGAAMO Cc1nnc(C[N@@H+]2CCC[C@@H](CCC(=O)Nc3ccccc3F)C2)o1 ZINC000095509615 282314374 /nfs/dbraw/zinc/31/43/74/282314374.db2.gz CDTSRAQTUROVLB-AWEZNQCLSA-N 1 1 346.406 3.148 50 0 EGAAMO Cc1nnc(C[N@H+]2CCC[C@@H](CCC(=O)Nc3ccccc3F)C2)o1 ZINC000095509615 282314376 /nfs/dbraw/zinc/31/43/76/282314376.db2.gz CDTSRAQTUROVLB-AWEZNQCLSA-N 1 1 346.406 3.148 50 0 EGAAMO CC(C)NC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccnc3ccccc23)C1 ZINC000067472888 215150517 /nfs/dbraw/zinc/15/05/17/215150517.db2.gz BNSPYMKHZQJQJT-INIZCTEOSA-N 1 1 340.471 3.154 50 0 EGAAMO CCc1ccc(NC(=O)CN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000019368064 202005703 /nfs/dbraw/zinc/00/57/03/202005703.db2.gz SWWGQMXEEMGKLV-UHFFFAOYSA-N 1 1 337.467 3.005 50 0 EGAAMO CCOC(=O)[C@H]1CCC[N@H+](Cc2ccc(Br)s2)C1 ZINC000019537575 202010905 /nfs/dbraw/zinc/01/09/05/202010905.db2.gz GLLQFVYJKHCUNA-JTQLQIEISA-N 1 1 332.263 3.286 50 0 EGAAMO CCOC(=O)[C@H]1CCC[N@@H+](Cc2ccc(Br)s2)C1 ZINC000019537575 202010908 /nfs/dbraw/zinc/01/09/08/202010908.db2.gz GLLQFVYJKHCUNA-JTQLQIEISA-N 1 1 332.263 3.286 50 0 EGAAMO C[N@H+]1CCCN(Cc2coc3c(Cl)cc(Cl)cc3c2=O)CC1 ZINC000019633462 202015716 /nfs/dbraw/zinc/01/57/16/202015716.db2.gz BSYVPDXUBFPYLC-UHFFFAOYSA-N 1 1 341.238 3.237 50 0 EGAAMO Cc1cccc(OCC(=O)N2CC[NH+](Cc3ccccc3)CC2)c1C ZINC000019849741 202023798 /nfs/dbraw/zinc/02/37/98/202023798.db2.gz HQVBTJWOSPDGOD-UHFFFAOYSA-N 1 1 338.451 3.027 50 0 EGAAMO O=C(c1ccc(-n2cccc2)cc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020366270 202039306 /nfs/dbraw/zinc/03/93/06/202039306.db2.gz GMJZMMXMBYFAFC-UHFFFAOYSA-N 1 1 345.446 3.435 50 0 EGAAMO Fc1cccc(C[N@H+]2CCc3nnc(-c4ccccc4)n3CC2)c1F ZINC000020455681 202043089 /nfs/dbraw/zinc/04/30/89/202043089.db2.gz QEDUOPGWAGNJIO-UHFFFAOYSA-N 1 1 340.377 3.282 50 0 EGAAMO Fc1cccc(C[N@@H+]2CCc3nnc(-c4ccccc4)n3CC2)c1F ZINC000020455681 202043093 /nfs/dbraw/zinc/04/30/93/202043093.db2.gz QEDUOPGWAGNJIO-UHFFFAOYSA-N 1 1 340.377 3.282 50 0 EGAAMO CCOc1ccc([C@H](O)[C@@H](C[NH+]2CCOCC2)c2ccccc2)cc1 ZINC000020791875 202055521 /nfs/dbraw/zinc/05/55/21/202055521.db2.gz RTHRSTWGVRVJQO-SFTDATJTSA-N 1 1 341.451 3.235 50 0 EGAAMO Cc1nnc(SCC[NH2+]Cc2c[nH]nc2-c2ccc(C)c(C)c2)[nH]1 ZINC000020637769 202051175 /nfs/dbraw/zinc/05/11/75/202051175.db2.gz LSAQFBWEQKNIEP-UHFFFAOYSA-N 1 1 342.472 3.002 50 0 EGAAMO Cc1n[nH]c(SCC[NH2+]Cc2c[nH]nc2-c2ccc(C)c(C)c2)n1 ZINC000020637769 202051178 /nfs/dbraw/zinc/05/11/78/202051178.db2.gz LSAQFBWEQKNIEP-UHFFFAOYSA-N 1 1 342.472 3.002 50 0 EGAAMO CCc1ccc(CN2CC[N@@H+](Cc3ccccc3)[C@@H](CCO)C2)cc1 ZINC000020919608 202057981 /nfs/dbraw/zinc/05/79/81/202057981.db2.gz JZYVPJSXOBPTSA-QFIPXVFZSA-N 1 1 338.495 3.318 50 0 EGAAMO CCc1ccc(C[N@@H+]2CCN(Cc3ccccc3)[C@@H](CCO)C2)cc1 ZINC000020919608 202057983 /nfs/dbraw/zinc/05/79/83/202057983.db2.gz JZYVPJSXOBPTSA-QFIPXVFZSA-N 1 1 338.495 3.318 50 0 EGAAMO CCc1ccc(C[N@H+]2CCN(Cc3ccccc3)[C@@H](CCO)C2)cc1 ZINC000020919608 202057988 /nfs/dbraw/zinc/05/79/88/202057988.db2.gz JZYVPJSXOBPTSA-QFIPXVFZSA-N 1 1 338.495 3.318 50 0 EGAAMO OCC[C@H]1CN(Cc2ccc(Cl)cc2)CC[N@H+]1Cc1ccccc1 ZINC000020912727 202058358 /nfs/dbraw/zinc/05/83/58/202058358.db2.gz JBMAJQCCIAXNJV-FQEVSTJZSA-N 1 1 344.886 3.409 50 0 EGAAMO c1ccc(-c2n[nH]c3c2C[N@H+](Cc2cccc4c2OCO4)CC3)cc1 ZINC000020916854 202058673 /nfs/dbraw/zinc/05/86/73/202058673.db2.gz OASZDLMRQNGPNJ-UHFFFAOYSA-N 1 1 333.391 3.364 50 0 EGAAMO c1ccc(-c2n[nH]c3c2C[N@@H+](Cc2cccc4c2OCO4)CC3)cc1 ZINC000020916854 202058677 /nfs/dbraw/zinc/05/86/77/202058677.db2.gz OASZDLMRQNGPNJ-UHFFFAOYSA-N 1 1 333.391 3.364 50 0 EGAAMO c1cnn(CCC[N@H+]2CCO[C@@H](Cc3cccc4ccccc43)C2)c1 ZINC000023129263 202099094 /nfs/dbraw/zinc/09/90/94/202099094.db2.gz QGFXPEDMDNVCIB-FQEVSTJZSA-N 1 1 335.451 3.370 50 0 EGAAMO OCC[C@H]1C[N@@H+](CC2CCCCC2)CCN1CCc1ccccc1 ZINC000023358201 202103555 /nfs/dbraw/zinc/10/35/55/202103555.db2.gz HBGGKDSZEPWTQN-NRFANRHFSA-N 1 1 330.516 3.178 50 0 EGAAMO COc1ccccc1[C@@H](CNC(=O)c1ccc(Cl)cc1)[NH+](C)C ZINC000023694001 202107718 /nfs/dbraw/zinc/10/77/18/202107718.db2.gz XSQMXTJGZMCSRC-MRXNPFEDSA-N 1 1 332.831 3.381 50 0 biogenic EGAAMO O=C(NCCC[N@@H+]1CCO[C@H](c2ccccc2)C1)NC1CCCCC1 ZINC000038572353 202138943 /nfs/dbraw/zinc/13/89/43/202138943.db2.gz XQVUMLKSMUWLGO-IBGZPJMESA-N 1 1 345.487 3.082 50 0 EGAAMO O=C(NCCC[N@H+]1CCO[C@H](c2ccccc2)C1)NC1CCCCC1 ZINC000038572353 202138946 /nfs/dbraw/zinc/13/89/46/202138946.db2.gz XQVUMLKSMUWLGO-IBGZPJMESA-N 1 1 345.487 3.082 50 0 EGAAMO C[C@@H]1C[C@H](C)C[N@H+](CCn2cnc3sc4c(c3c2=O)CCCC4)C1 ZINC000032561734 202227916 /nfs/dbraw/zinc/22/79/16/202227916.db2.gz BBWQQMFMMWCJER-OKILXGFUSA-N 1 1 345.512 3.315 50 0 EGAAMO CCCC[C@H](C(=O)Nc1cc(C)on1)[N@@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000072270669 202359975 /nfs/dbraw/zinc/35/99/75/202359975.db2.gz CXZMJKHBQGXCOU-GOEBONIOSA-N 1 1 345.447 3.083 50 0 EGAAMO CCCC[C@H](C(=O)Nc1cc(C)on1)[N@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000072270669 202359978 /nfs/dbraw/zinc/35/99/78/202359978.db2.gz CXZMJKHBQGXCOU-GOEBONIOSA-N 1 1 345.447 3.083 50 0 EGAAMO Cc1ccc(C[N@H+]2CCN(Cc3ccc(C)cc3)[C@H](CCO)C2)s1 ZINC000036385831 201080224 /nfs/dbraw/zinc/08/02/24/201080224.db2.gz LITAOPJNFVLHCT-LJQANCHMSA-N 1 1 344.524 3.434 50 0 EGAAMO Cc1ccc(CN2CC[N@H+](Cc3ccc(C)cc3)[C@H](CCO)C2)s1 ZINC000036385831 201080229 /nfs/dbraw/zinc/08/02/29/201080229.db2.gz LITAOPJNFVLHCT-LJQANCHMSA-N 1 1 344.524 3.434 50 0 EGAAMO Cc1ccc(CN2CC[N@@H+](Cc3ccc(C)cc3)[C@H](CCO)C2)s1 ZINC000036385831 201080232 /nfs/dbraw/zinc/08/02/32/201080232.db2.gz LITAOPJNFVLHCT-LJQANCHMSA-N 1 1 344.524 3.434 50 0 EGAAMO O=C(Cc1c[nH]c2ccccc12)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020426422 201370387 /nfs/dbraw/zinc/37/03/87/201370387.db2.gz PBWGBCRWURGVHH-UHFFFAOYSA-N 1 1 333.435 3.055 50 0 EGAAMO O[C@H](C[NH+]1CCOCC1)c1ccc(-c2cccc(-c3cc[nH]n3)c2)cc1 ZINC000023128676 212352649 /nfs/dbraw/zinc/35/26/49/212352649.db2.gz BRPBCCMERDJCED-OAQYLSRUSA-N 1 1 349.434 3.109 50 0 EGAAMO Cc1ccc(Sc2ccc(CN3CC[N@H+](C)[C@H](CCO)C3)o2)cc1 ZINC000215192418 241111907 /nfs/dbraw/zinc/11/19/07/241111907.db2.gz DJCNHMKFCNJBEN-MRXNPFEDSA-N 1 1 346.496 3.238 50 0 EGAAMO Cn1nc(C[NH+]2CCC(c3ccncn3)CC2)c2c1cccc2Cl ZINC000216535394 241202896 /nfs/dbraw/zinc/20/28/96/241202896.db2.gz IEMIMIUAAGJKSI-UHFFFAOYSA-N 1 1 341.846 3.396 50 0 EGAAMO COc1cc(OC)c(C[NH+]2CCC(c3nccn3C)CC2)cc1Cl ZINC000216294852 241181093 /nfs/dbraw/zinc/18/10/93/241181093.db2.gz TVMHDNDDKULPAZ-UHFFFAOYSA-N 1 1 349.862 3.470 50 0 EGAAMO CCSc1ncc(C[NH+]2CCC(OCc3cccnc3)CC2)cn1 ZINC000215377559 241122524 /nfs/dbraw/zinc/12/25/24/241122524.db2.gz ZCDJBJASDRQQEU-UHFFFAOYSA-N 1 1 344.484 3.165 50 0 EGAAMO Cc1nccn1CC[N@H+](C)Cc1cccc(OCc2ccccn2)c1 ZINC000215631399 241135985 /nfs/dbraw/zinc/13/59/85/241135985.db2.gz ILPAMBBPNVJDJR-UHFFFAOYSA-N 1 1 336.439 3.298 50 0 EGAAMO O=C(c1ccccn1)[C@H]1CCC[N@@H+](CCn2cnc3ccccc32)C1 ZINC000244715781 243062153 /nfs/dbraw/zinc/06/21/53/243062153.db2.gz LCEAGOKWLMXSOR-INIZCTEOSA-N 1 1 334.423 3.026 50 0 EGAAMO Cc1ccccc1-n1cc(CN(C)C(=O)C[N@@H+](C)C2CCCC2)cn1 ZINC000243901197 243033746 /nfs/dbraw/zinc/03/37/46/243033746.db2.gz AZNOAWSIPQUMKD-UHFFFAOYSA-N 1 1 340.471 3.014 50 0 EGAAMO CCc1[nH+]ccn1CC1(CNC(=O)c2ccccc2-c2ncc[nH]2)CC1 ZINC000244787570 243078856 /nfs/dbraw/zinc/07/88/56/243078856.db2.gz PZMGAKFGKPJAGQ-UHFFFAOYSA-N 1 1 349.438 3.046 50 0 EGAAMO CC[N@@H+](CC(=O)Nc1cc(C)ccc1C)C[C@H](O)c1cccc(O)c1 ZINC000252489525 243793032 /nfs/dbraw/zinc/79/30/32/243793032.db2.gz JSKVNNWXYMUZCE-IBGZPJMESA-N 1 1 342.439 3.003 50 0 EGAAMO CC[N@H+](CC(=O)Nc1cc(C)ccc1C)C[C@H](O)c1cccc(O)c1 ZINC000252489525 243793036 /nfs/dbraw/zinc/79/30/36/243793036.db2.gz JSKVNNWXYMUZCE-IBGZPJMESA-N 1 1 342.439 3.003 50 0 EGAAMO COc1ccc(O)cc1CN1CCC[N@@H+](CC2CC2)[C@H](C(C)C)C1 ZINC000071479556 203099039 /nfs/dbraw/zinc/09/90/39/203099039.db2.gz VEMDILAJLNVBMO-IBGZPJMESA-N 1 1 332.488 3.343 50 0 EGAAMO COc1ccc(F)c(-c2nc(C[N@H+](C)CC3(CO)CCC3)c(C)o2)c1 ZINC000071752669 203108404 /nfs/dbraw/zinc/10/84/04/203108404.db2.gz WBOHDEWLYZKOLY-UHFFFAOYSA-N 1 1 348.418 3.392 50 0 EGAAMO COc1ccc(F)c(-c2nc(C[N@@H+](C)CC3(CO)CCC3)c(C)o2)c1 ZINC000071752669 203108405 /nfs/dbraw/zinc/10/84/05/203108405.db2.gz WBOHDEWLYZKOLY-UHFFFAOYSA-N 1 1 348.418 3.392 50 0 EGAAMO CCNC(=O)C[N@H+]1CCC[C@@H](CCc2ccccc2C(F)(F)F)C1 ZINC000072135532 203167887 /nfs/dbraw/zinc/16/78/87/203167887.db2.gz BWAQPNMCVMIOLX-AWEZNQCLSA-N 1 1 342.405 3.486 50 0 EGAAMO CCc1nn(C)c(Cl)c1C[N@@H+]1CCC[C@@H](OCc2ccccn2)C1 ZINC000072149424 203172193 /nfs/dbraw/zinc/17/21/93/203172193.db2.gz JEYGHHSMRMQIJC-OAHLLOKOSA-N 1 1 348.878 3.212 50 0 EGAAMO CCc1nn(C)c(Cl)c1C[N@H+]1CCC[C@@H](OCc2ccccn2)C1 ZINC000072149424 203172195 /nfs/dbraw/zinc/17/21/95/203172195.db2.gz JEYGHHSMRMQIJC-OAHLLOKOSA-N 1 1 348.878 3.212 50 0 EGAAMO Cc1ccc([C@H]2C[N@@H+](Cc3cccnc3)[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000072155930 203174295 /nfs/dbraw/zinc/17/42/95/203174295.db2.gz SQBDYNOVLVLJIU-YPAWHYETSA-N 1 1 333.479 3.452 50 0 EGAAMO Cc1ccc([C@H]2CN(Cc3cccnc3)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000072155930 203174297 /nfs/dbraw/zinc/17/42/97/203174297.db2.gz SQBDYNOVLVLJIU-YPAWHYETSA-N 1 1 333.479 3.452 50 0 EGAAMO COC(=O)c1cc(C[N@@H+]2CCC[C@H](OCc3cccnc3)C2)cs1 ZINC000072156507 203174477 /nfs/dbraw/zinc/17/44/77/203174477.db2.gz KNXAZSGYSDLPHC-INIZCTEOSA-N 1 1 346.452 3.111 50 0 EGAAMO COC(=O)c1cc(C[N@H+]2CCC[C@H](OCc3cccnc3)C2)cs1 ZINC000072156507 203174480 /nfs/dbraw/zinc/17/44/80/203174480.db2.gz KNXAZSGYSDLPHC-INIZCTEOSA-N 1 1 346.452 3.111 50 0 EGAAMO OCCOCC[N@H+]1CCC[C@@H](CCc2cccc(C(F)(F)F)c2)C1 ZINC000072153532 203174688 /nfs/dbraw/zinc/17/46/88/203174688.db2.gz OKDFFLWXXZECTG-INIZCTEOSA-N 1 1 345.405 3.359 50 0 EGAAMO Clc1ccc(CN2CC[NH+](Cc3cccc4nonc43)CC2)cc1 ZINC000072161390 203176049 /nfs/dbraw/zinc/17/60/49/203176049.db2.gz HHKCKNCIDOHMQY-UHFFFAOYSA-N 1 1 342.830 3.194 50 0 EGAAMO Fc1ccc(N2CCC[N@@H+](Cc3ccc4nonc4c3)CC2)cc1 ZINC000072167262 203179818 /nfs/dbraw/zinc/17/98/18/203179818.db2.gz WZBWSLUIJHMTIY-UHFFFAOYSA-N 1 1 326.375 3.074 50 0 EGAAMO Cc1cc(C(F)(F)F)nc(N2CC[NH+](Cc3ccsc3)CC2)n1 ZINC000072174533 203181862 /nfs/dbraw/zinc/18/18/62/203181862.db2.gz KMFGJTRVOIVWAO-UHFFFAOYSA-N 1 1 342.390 3.188 50 0 EGAAMO CCc1cc(OCCOCC[NH+]2C[C@@H](C)O[C@H](C)C2)ccc1Cl ZINC000020168189 212108152 /nfs/dbraw/zinc/10/81/52/212108152.db2.gz YPMXSNJIRXONQM-HUUCEWRRSA-N 1 1 341.879 3.407 50 0 EGAAMO C[C@@H](C1CCN(Cc2cnc(-c3ccco3)nc2)CC1)[NH+]1CCCC1 ZINC000072474472 203231362 /nfs/dbraw/zinc/23/13/62/203231362.db2.gz MFFVJYFZDCSBAP-INIZCTEOSA-N 1 1 340.471 3.433 50 0 EGAAMO C[N@@H+]1CC[C@]2(C1)CCCN(Cc1ccc(CCC(C)(C)O)cc1)C2 ZINC000072473515 203231386 /nfs/dbraw/zinc/23/13/86/203231386.db2.gz BRDVZPMZXMVLOE-NRFANRHFSA-N 1 1 330.516 3.308 50 0 EGAAMO C[N@H+]1CC[C@]2(C1)CCCN(Cc1ccc(CCC(C)(C)O)cc1)C2 ZINC000072473515 203231390 /nfs/dbraw/zinc/23/13/90/203231390.db2.gz BRDVZPMZXMVLOE-NRFANRHFSA-N 1 1 330.516 3.308 50 0 EGAAMO CN1CC[C@]2(C1)CCC[N@H+](Cc1ccc(CCC(C)(C)O)cc1)C2 ZINC000072473515 203231394 /nfs/dbraw/zinc/23/13/94/203231394.db2.gz BRDVZPMZXMVLOE-NRFANRHFSA-N 1 1 330.516 3.308 50 0 EGAAMO CN1CC[C@]2(C1)CCC[N@@H+](Cc1ccc(CCC(C)(C)O)cc1)C2 ZINC000072473515 203231395 /nfs/dbraw/zinc/23/13/95/203231395.db2.gz BRDVZPMZXMVLOE-NRFANRHFSA-N 1 1 330.516 3.308 50 0 EGAAMO CCc1[nH+]ccn1CC(=O)N1CCc2[nH]c3c(cccc3Cl)c2C1 ZINC000072418420 203218232 /nfs/dbraw/zinc/21/82/32/203218232.db2.gz UPYFSGDETGLANG-UHFFFAOYSA-N 1 1 342.830 3.165 50 0 EGAAMO CC(C)CC[N@H+]1CCC[C@@]2(CCC(=O)N(Cc3ccncc3)C2)C1 ZINC000072425407 203221441 /nfs/dbraw/zinc/22/14/41/203221441.db2.gz SRVOVJRSWJLLGM-HXUWFJFHSA-N 1 1 329.488 3.332 50 0 EGAAMO Cc1[nH+]ccn1CC[C@@H]1CCCCN1C(=O)CSc1ccccn1 ZINC000077287674 203378026 /nfs/dbraw/zinc/37/80/26/203378026.db2.gz DULCDRWOUMLZHI-INIZCTEOSA-N 1 1 344.484 3.150 50 0 EGAAMO CN(C[C@H]1Cc2ccccc2C[N@H+]1C)C(=O)c1cccc(Cl)c1 ZINC000077422445 203386886 /nfs/dbraw/zinc/38/68/86/203386886.db2.gz CIEGJSLPCNSILT-GOSISDBHSA-N 1 1 328.843 3.469 50 0 EGAAMO CN1CC2(CC[NH+](Cc3csc(-c4ccccc4)n3)CC2)OC1=O ZINC000077439067 203388203 /nfs/dbraw/zinc/38/82/03/203388203.db2.gz AWVLRDCFJKSXJW-UHFFFAOYSA-N 1 1 343.452 3.227 50 0 EGAAMO O=C(CCCc1cccs1)N1CCC[N@H+](Cc2ccncc2)CC1 ZINC000077469809 203390327 /nfs/dbraw/zinc/39/03/27/203390327.db2.gz BRMFMINJGCXNEP-UHFFFAOYSA-N 1 1 343.496 3.200 50 0 EGAAMO O=C(CCCc1cccs1)N1CCC[N@@H+](Cc2ccncc2)CC1 ZINC000077469809 203390329 /nfs/dbraw/zinc/39/03/29/203390329.db2.gz BRMFMINJGCXNEP-UHFFFAOYSA-N 1 1 343.496 3.200 50 0 EGAAMO CC(C)n1cc(C(=O)NC[C@H](c2ccccc2F)[NH+]2CCCC2)cn1 ZINC000077485245 203391064 /nfs/dbraw/zinc/39/10/64/203391064.db2.gz GVCCFJRUSXYUPQ-GOSISDBHSA-N 1 1 344.434 3.170 50 0 EGAAMO COc1ccc(C(C)C)cc1C[NH+]1CCC(CN2CCOCC2)CC1 ZINC000077553733 203394720 /nfs/dbraw/zinc/39/47/20/203394720.db2.gz FOTJGRICEADFFS-UHFFFAOYSA-N 1 1 346.515 3.363 50 0 EGAAMO O=C1N(C2CCCCC2)CCC[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC000091452361 218008653 /nfs/dbraw/zinc/00/86/53/218008653.db2.gz FJLRWRJMWHHFEJ-HXUWFJFHSA-N 1 1 327.472 3.229 50 0 EGAAMO CO[C@]12CC[N@@H+](Cc3[nH]c4c(cccc4C)c3C)[C@H]1C[C@@H](O)CC2 ZINC000299775766 258086046 /nfs/dbraw/zinc/08/60/46/258086046.db2.gz JYOCELGOPGTBNR-ZAAXVRCTSA-N 1 1 328.456 3.289 50 0 EGAAMO CCc1ocnc1C(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+]1CCCC1 ZINC000299778157 258087836 /nfs/dbraw/zinc/08/78/36/258087836.db2.gz IJXIAKKBCVLNEJ-HNNXBMFYSA-N 1 1 347.846 3.457 50 0 EGAAMO Cc1ccc(NCCCNC(=O)Nc2ccnn2C2CCCC2)[nH+]c1 ZINC000299787719 258094287 /nfs/dbraw/zinc/09/42/87/258094287.db2.gz WZURUUJVMXCCAW-UHFFFAOYSA-N 1 1 342.447 3.325 50 0 EGAAMO O=c1cc([C@H]2CCC[N@@H+](Cc3cncn3C3CCCCC3)C2)nc[nH]1 ZINC000299787687 258094334 /nfs/dbraw/zinc/09/43/34/258094334.db2.gz ZKIACHCYYBQRLU-HNNXBMFYSA-N 1 1 341.459 3.264 50 0 EGAAMO CN(C(=O)Nc1cccc2c[nH]nc21)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000299794904 258099632 /nfs/dbraw/zinc/09/96/32/258099632.db2.gz KQSDZQVBYWIURI-KRWDZBQOSA-N 1 1 349.438 3.301 50 0 EGAAMO CCc1[nH+]ccn1CCC(=O)N[C@H]1CCCc2cc(OC)ccc21 ZINC000299795848 258100582 /nfs/dbraw/zinc/10/05/82/258100582.db2.gz MPYHTABLCFQKBC-KRWDZBQOSA-N 1 1 327.428 3.038 50 0 EGAAMO CN(C)c1ccc(CC(=O)NC[C@H]2CC[N@H+](C3CCCCC3)C2)cc1 ZINC000299755642 258074402 /nfs/dbraw/zinc/07/44/02/258074402.db2.gz BGCONSPIQGPHOO-GOSISDBHSA-N 1 1 343.515 3.066 50 0 EGAAMO CCOc1ccc(C[N@H+]2CC[C@]3(OC)CC[C@@H](O)C[C@H]23)cc1Cl ZINC000299759984 258077118 /nfs/dbraw/zinc/07/71/18/258077118.db2.gz SDWXFXWFOCGPSU-FHLIZLRMSA-N 1 1 339.863 3.243 50 0 EGAAMO Cc1nnc(C[N@@H+]2CCC[C@@H](c3nc4c(cccc4C)[nH]3)C2)s1 ZINC000299762813 258079050 /nfs/dbraw/zinc/07/90/50/258079050.db2.gz YPQQMKIHMIZSIA-CYBMUJFWSA-N 1 1 327.457 3.411 50 0 EGAAMO Cc1nnc(C[N@H+]2CCC[C@@H](c3nc4c(cccc4C)[nH]3)C2)s1 ZINC000299762813 258079051 /nfs/dbraw/zinc/07/90/51/258079051.db2.gz YPQQMKIHMIZSIA-CYBMUJFWSA-N 1 1 327.457 3.411 50 0 EGAAMO OC[C@@]12C[N@H+](Cc3c(F)cccc3Cl)C[C@@H]1c1ccccc1OC2 ZINC000095366508 275049495 /nfs/dbraw/zinc/04/94/95/275049495.db2.gz RVJRDOBMXGHGCK-DNVCBOLYSA-N 1 1 347.817 3.450 50 0 EGAAMO OC[C@@]12C[N@@H+](Cc3c(F)cccc3Cl)C[C@@H]1c1ccccc1OC2 ZINC000095366508 275049497 /nfs/dbraw/zinc/04/94/97/275049497.db2.gz RVJRDOBMXGHGCK-DNVCBOLYSA-N 1 1 347.817 3.450 50 0 EGAAMO CSCCC(=O)N1C[C@H]2CC[C@@H]1C[N@@H+](Cc1ccc(F)cc1)C2 ZINC000092028467 278127930 /nfs/dbraw/zinc/12/79/30/278127930.db2.gz KGWMPZYSSZHOSJ-DOTOQJQBSA-N 1 1 336.476 3.002 50 0 EGAAMO CCOC(=O)[C@H]1CCC[N@H+](Cc2coc3ccc(Cl)cc3c2=O)C1 ZINC000000278728 452553089 /nfs/dbraw/zinc/55/30/89/452553089.db2.gz DPSTZZVPFFIKAF-LBPRGKRZSA-N 1 1 349.814 3.222 50 0 EGAAMO CCOC(=O)[C@H]1CCC[N@@H+](Cc2coc3ccc(Cl)cc3c2=O)C1 ZINC000000278728 452553095 /nfs/dbraw/zinc/55/30/95/452553095.db2.gz DPSTZZVPFFIKAF-LBPRGKRZSA-N 1 1 349.814 3.222 50 0 EGAAMO CC[NH+]1CCN(c2ccc(NC(=O)c3ccco3)cc2Cl)CC1 ZINC000000557428 452622539 /nfs/dbraw/zinc/62/25/39/452622539.db2.gz ALGFHGCJNGAOGX-UHFFFAOYSA-N 1 1 333.819 3.327 50 0 EGAAMO Cc1ccc(OCC(=O)O[C@@H](C)C[N@@H+](C)Cc2ccccc2)cc1 ZINC000002180646 452687416 /nfs/dbraw/zinc/68/74/16/452687416.db2.gz KNRYEMGUWQATJB-KRWDZBQOSA-N 1 1 327.424 3.438 50 0 EGAAMO C[NH+]1CCN(c2ccc(NC(=O)c3cccc(F)c3)cc2Cl)CC1 ZINC000004865924 452823523 /nfs/dbraw/zinc/82/35/23/452823523.db2.gz NNGKKLOJOSNUTM-UHFFFAOYSA-N 1 1 347.821 3.483 50 0 EGAAMO COc1cc(OC)c2[nH]c(C)c(C[N@H+]3CCC[C@@H](C)C3)c(=O)c2c1 ZINC000008717255 453225919 /nfs/dbraw/zinc/22/59/19/453225919.db2.gz IJKUODPAXURUOV-GFCCVEGCSA-N 1 1 330.428 3.498 50 0 EGAAMO CCN1CC[N@@H+](Cc2ccc(OCc3ccccc3)cc2)CCC1=O ZINC000011789152 453336004 /nfs/dbraw/zinc/33/60/04/453336004.db2.gz NRAWBRJATSRYKF-UHFFFAOYSA-N 1 1 338.451 3.320 50 0 EGAAMO CN(C(=O)/C=C/c1ccccn1)[C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000011938393 453339631 /nfs/dbraw/zinc/33/96/31/453339631.db2.gz DNVJTVVMVQXGKG-JNCYCUAHSA-N 1 1 349.478 3.260 50 0 EGAAMO C[N@@H+](CCc1ccccc1)[C@H]1CCCN(C(=O)CCc2ccco2)C1 ZINC000012075007 453345706 /nfs/dbraw/zinc/34/57/06/453345706.db2.gz IAZMVJDITFHLLZ-IBGZPJMESA-N 1 1 340.467 3.378 50 0 EGAAMO COC[C@H]1CCC[N@@H+](Cc2c[nH]nc2-c2ccc(OC)c(F)c2)C1 ZINC000012316200 453353189 /nfs/dbraw/zinc/35/31/89/453353189.db2.gz YRDQJASKMDSPMD-ZDUSSCGKSA-N 1 1 333.407 3.083 50 0 EGAAMO CCn1cc(C[N@H+]2CCC[C@@](CO)(CCc3ccccc3)C2)c(C)n1 ZINC000012465803 453365342 /nfs/dbraw/zinc/36/53/42/453365342.db2.gz IIGLSJJHBPLNBQ-OAQYLSRUSA-N 1 1 341.499 3.419 50 0 EGAAMO CSCC(=O)N(C)C[C@@H]1CCC[N@@H+](CCc2ccccc2C)C1 ZINC000012585195 453379541 /nfs/dbraw/zinc/37/95/41/453379541.db2.gz HLYDPGDHCQHUHV-KRWDZBQOSA-N 1 1 334.529 3.071 50 0 EGAAMO COCc1ccc(C[NH2+]Cc2cccnc2-n2cnc3ccccc32)o1 ZINC000015063435 453553267 /nfs/dbraw/zinc/55/32/67/453553267.db2.gz KAPBJKZTHRRQGF-UHFFFAOYSA-N 1 1 348.406 3.450 50 0 EGAAMO Fc1ccccc1NC(=S)N1CC[NH+](Cc2ccccc2)CC1 ZINC000018251102 453650306 /nfs/dbraw/zinc/65/03/06/453650306.db2.gz NMHZUZSAZSVLOQ-UHFFFAOYSA-N 1 1 329.444 3.340 50 0 EGAAMO O=C(NCCC[N@@H+]1CCO[C@@H](c2ccccc2)C1)c1cccc(F)c1 ZINC000035592986 453923996 /nfs/dbraw/zinc/92/39/96/453923996.db2.gz PJDYFIVVVNZXEW-LJQANCHMSA-N 1 1 342.414 3.019 50 0 EGAAMO O=C(NCCC[N@H+]1CCO[C@@H](c2ccccc2)C1)c1cccc(F)c1 ZINC000035592986 453924000 /nfs/dbraw/zinc/92/40/00/453924000.db2.gz PJDYFIVVVNZXEW-LJQANCHMSA-N 1 1 342.414 3.019 50 0 EGAAMO COc1ccc(-c2ccc(C(=O)N(C)C[C@@]3(C)CC[N@@H+](C)C3)o2)cc1 ZINC000067514804 453937603 /nfs/dbraw/zinc/93/76/03/453937603.db2.gz PTSHAQFSIHGUPA-FQEVSTJZSA-N 1 1 342.439 3.369 50 0 EGAAMO COc1ccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1Cl ZINC000040114267 453947594 /nfs/dbraw/zinc/94/75/94/453947594.db2.gz RALFCGHZPWCLKC-UHFFFAOYSA-N 1 1 344.842 3.307 50 0 EGAAMO O=C(NC[C@H]1CC[N@@H+](Cc2ccco2)C1)c1nccc2ccccc21 ZINC000067691644 453957793 /nfs/dbraw/zinc/95/77/93/453957793.db2.gz WSNZHZRLZIOCNE-OAHLLOKOSA-N 1 1 335.407 3.080 50 0 EGAAMO CNc1cc[nH+]c(NCc2cccnc2N2CCc3ccccc3C2)n1 ZINC000067714760 453959896 /nfs/dbraw/zinc/95/98/96/453959896.db2.gz HIXAIVTWIDFPCT-UHFFFAOYSA-N 1 1 346.438 3.088 50 0 EGAAMO O=C(Nc1cnc2n1CCCC2)[C@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000067725230 453960714 /nfs/dbraw/zinc/96/07/14/453960714.db2.gz YMZGFJCLGMFHPZ-HNNXBMFYSA-N 1 1 330.476 3.203 50 0 EGAAMO CC[C@H]1C[N@@H+](Cc2nc(-c3ccc(Cl)cc3)no2)CC[C@@]1(C)O ZINC000067741262 453961464 /nfs/dbraw/zinc/96/14/64/453961464.db2.gz BFOCIJQYMDQOGU-SUMWQHHRSA-N 1 1 335.835 3.373 50 0 EGAAMO CC(C)n1ccc(C[N@H+]2CC[C@H](CNC(=O)c3cccc(O)c3)C2)c1 ZINC000067739455 453961487 /nfs/dbraw/zinc/96/14/87/453961487.db2.gz GZHQKOQDFCOHAF-MRXNPFEDSA-N 1 1 341.455 3.027 50 0 EGAAMO O=C(NC[C@@H]1CC[N@@H+](Cc2ccncc2)C1)c1cc2ccccc2o1 ZINC000067756326 453963329 /nfs/dbraw/zinc/96/33/29/453963329.db2.gz KCVWUFJHJUMKTF-INIZCTEOSA-N 1 1 335.407 3.080 50 0 EGAAMO Cc1c2ccccc2oc1C[N@@H+]1CC[C@H](CNC(=O)NC(C)C)C1 ZINC000067758304 453963697 /nfs/dbraw/zinc/96/36/97/453963697.db2.gz AIAFUHQLSWKVJT-OAHLLOKOSA-N 1 1 329.444 3.271 50 0 EGAAMO CC(=O)NC[C@@H]1CCC[N@@H+](Cc2[nH]c3c(cccc3Cl)c2C)C1 ZINC000067789826 453966509 /nfs/dbraw/zinc/96/65/09/453966509.db2.gz LOUVXBCRSZLADY-AWEZNQCLSA-N 1 1 333.863 3.478 50 0 EGAAMO Cc1ccc(NC(=O)NC[C@H]2CC[N@@H+](Cc3cccc(O)c3)C2)cc1 ZINC000067805213 453967970 /nfs/dbraw/zinc/96/79/70/453967970.db2.gz YLPZUVRISYDCLX-QGZVFWFLSA-N 1 1 339.439 3.344 50 0 EGAAMO CC(C)(C)C(=O)NCC[C@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000067804566 453967976 /nfs/dbraw/zinc/96/79/76/453967976.db2.gz AYJFYMMIJCZRQP-MRXNPFEDSA-N 1 1 328.500 3.418 50 0 EGAAMO Cc1noc(C)c1C[N@@H+](C)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000067851969 453973022 /nfs/dbraw/zinc/97/30/22/453973022.db2.gz LPIWHNPQELVFGA-UHFFFAOYSA-N 1 1 325.412 3.382 50 0 EGAAMO Cc1noc(C)c1C[N@H+](C)Cc1cc2cc(C)cc(C)c2[nH]c1=O ZINC000067851969 453973024 /nfs/dbraw/zinc/97/30/24/453973024.db2.gz LPIWHNPQELVFGA-UHFFFAOYSA-N 1 1 325.412 3.382 50 0 EGAAMO CCOc1cccc(C(=O)N2CCC[N@@H+](Cc3cccs3)CC2)c1 ZINC000055328638 453976607 /nfs/dbraw/zinc/97/66/07/453976607.db2.gz ZHMRRVWECXZXKM-UHFFFAOYSA-N 1 1 344.480 3.495 50 0 EGAAMO CC[C@@H](CO)N(Cc1ccccc1C)C(=O)c1ccc(C[NH+](C)C)o1 ZINC000055359589 453978557 /nfs/dbraw/zinc/97/85/57/453978557.db2.gz DBHVAJWAWVJDDD-KRWDZBQOSA-N 1 1 344.455 3.063 50 0 EGAAMO CC[C@H](C)[N@@H+](Cc1ccsc1)Cc1ccccc1OCC(N)=O ZINC000055371418 453979520 /nfs/dbraw/zinc/97/95/20/453979520.db2.gz GJTRELFZWYNCRV-AWEZNQCLSA-N 1 1 332.469 3.413 50 0 EGAAMO CC[C@@H](CO)[N@@H+](Cc1ccsc1)Cc1c2ccccc2nn1C ZINC000055414455 453983585 /nfs/dbraw/zinc/98/35/85/453983585.db2.gz YLGGIGUBJKTQES-HNNXBMFYSA-N 1 1 329.469 3.408 50 0 EGAAMO Cc1c(NC(=O)C(C)(C)C)cccc1C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000067954308 453983711 /nfs/dbraw/zinc/98/37/11/453983711.db2.gz FVCBBAPJFMQSRY-OAHLLOKOSA-N 1 1 345.487 3.051 50 0 EGAAMO Cc1cccc([C@H](C(=O)N2CC(Oc3ccccc3F)C2)[NH+](C)C)c1 ZINC000095354825 454196893 /nfs/dbraw/zinc/19/68/93/454196893.db2.gz TWGCNVRNLFTDQB-LJQANCHMSA-N 1 1 342.414 3.027 50 0 EGAAMO CC(C)(C)C(=O)N1C[C@@H](c2cccc(F)c2F)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095354568 454197039 /nfs/dbraw/zinc/19/70/39/454197039.db2.gz SKUJDBLANOEGAX-BMGDILEWSA-N 1 1 348.437 3.400 50 0 EGAAMO C[NH+](C)[C@@H](C(=O)N1CCC(c2ccncc2)CC1)c1cccc(F)c1 ZINC000095366403 454197138 /nfs/dbraw/zinc/19/71/38/454197138.db2.gz BYFQFYONCIQOES-LJQANCHMSA-N 1 1 341.430 3.230 50 0 EGAAMO C[N@@H+]1Cc2ccccc2C[C@H]1C(=O)N(Cc1ccsc1)C1CC1 ZINC000095371250 454199403 /nfs/dbraw/zinc/19/94/03/454199403.db2.gz CQEKQBCFUYEKSH-SFHVURJKSA-N 1 1 326.465 3.296 50 0 EGAAMO C[N@H+]1Cc2ccccc2C[C@H]1C(=O)N(Cc1ccsc1)C1CC1 ZINC000095371250 454199409 /nfs/dbraw/zinc/19/94/09/454199409.db2.gz CQEKQBCFUYEKSH-SFHVURJKSA-N 1 1 326.465 3.296 50 0 EGAAMO C[NH+](C)[C@H](C(=O)N(Cc1nccs1)C1CC1)c1ccc(F)cc1 ZINC000095391279 454201498 /nfs/dbraw/zinc/20/14/98/454201498.db2.gz BWIFXRFRCBNWIT-INIZCTEOSA-N 1 1 333.432 3.076 50 0 EGAAMO Cc1ccccc1COC1CN(C(=O)[C@@H](C)n2cc[nH+]c2C(C)C)C1 ZINC000095529276 454228772 /nfs/dbraw/zinc/22/87/72/454228772.db2.gz VUENWDTXUPWVMQ-MRXNPFEDSA-N 1 1 341.455 3.304 50 0 EGAAMO Cc1nnc(CN2CCC3(C[C@H](c4ccccc4)C[N@@H+]3C)CC2)s1 ZINC000095527876 454229288 /nfs/dbraw/zinc/22/92/88/454229288.db2.gz LYYHUCRRAKVTEV-KRWDZBQOSA-N 1 1 342.512 3.300 50 0 EGAAMO O=S1(=O)C[C@@](c2ccccc2)([NH+]2CCCC2)[C@@H]1c1ccccc1 ZINC000095891447 454231831 /nfs/dbraw/zinc/23/18/31/454231831.db2.gz OPHJQSOZJCCVLO-OALUTQOASA-N 1 1 327.449 3.147 50 0 EGAAMO COc1ccc(C[N@H+]2CCC[C@@]3(C2)C(=O)Nc2ccccc23)c(F)c1 ZINC000072166412 454273909 /nfs/dbraw/zinc/27/39/09/454273909.db2.gz LCXPFQIJDBSIQV-FQEVSTJZSA-N 1 1 340.398 3.320 50 0 EGAAMO C[N@@H+]1CCN(C(=O)c2c[nH]nc2-c2ccccc2)[C@@H](c2ccccc2)C1 ZINC000096163929 454295304 /nfs/dbraw/zinc/29/53/04/454295304.db2.gz UNBRLQWBUFADJK-LJQANCHMSA-N 1 1 346.434 3.206 50 0 EGAAMO C[N@H+]1CCN(C(=O)c2c[nH]nc2-c2ccccc2)[C@@H](c2ccccc2)C1 ZINC000096163929 454295310 /nfs/dbraw/zinc/29/53/10/454295310.db2.gz UNBRLQWBUFADJK-LJQANCHMSA-N 1 1 346.434 3.206 50 0 EGAAMO Cn1nc(-c2ccccc2C[NH+]2CCOCC2)c2cc(F)ccc21 ZINC000096165948 454296885 /nfs/dbraw/zinc/29/68/85/454296885.db2.gz LATOQKNUBLRZCT-UHFFFAOYSA-N 1 1 325.387 3.212 50 0 EGAAMO C[N@@H+](CCNc1nccc(-c2cccnc2)n1)CCc1ccccc1 ZINC000096165931 454296974 /nfs/dbraw/zinc/29/69/74/454296974.db2.gz UEPQMVMKWJXNHH-UHFFFAOYSA-N 1 1 333.439 3.125 50 0 EGAAMO Cc1[nH]c2cc(C)ccc2c1C(=O)[C@H](C)[NH+]1CCC2(CC1)OCCO2 ZINC000061947390 454362333 /nfs/dbraw/zinc/36/23/33/454362333.db2.gz WFQOMEMDVYWHLP-HNNXBMFYSA-N 1 1 342.439 3.195 50 0 EGAAMO O=C(c1cccnc1)[C@H]1CCC[N@H+](Cc2cc(=O)c3ccccc3[nH]2)C1 ZINC000091321375 454427543 /nfs/dbraw/zinc/42/75/43/454427543.db2.gz MXCXWQXLOMHYOP-INIZCTEOSA-N 1 1 347.418 3.018 50 0 EGAAMO O=C(c1cccnc1)[C@H]1CCC[N@@H+](Cc2cc(=O)c3ccccc3[nH]2)C1 ZINC000091321375 454427550 /nfs/dbraw/zinc/42/75/50/454427550.db2.gz MXCXWQXLOMHYOP-INIZCTEOSA-N 1 1 347.418 3.018 50 0 EGAAMO O[C@@H](c1ccccn1)C1CC[NH+](Cc2nc3c(s2)CCCC3)CC1 ZINC000097425449 454436051 /nfs/dbraw/zinc/43/60/51/454436051.db2.gz MCINGELYTNOJGR-LJQANCHMSA-N 1 1 343.496 3.363 50 0 EGAAMO C[C@@H]1C[N@@H+](Cc2ccc(F)cc2Cl)CC[C@@]1(O)C1CCOCC1 ZINC000091462638 454438547 /nfs/dbraw/zinc/43/85/47/454438547.db2.gz XOOCAXUPDDVFRO-ACJLOTCBSA-N 1 1 341.854 3.479 50 0 EGAAMO CCOc1ccc2nc(C[N@H+]3CCC[C@@H](c4ncon4)C3)ccc2c1 ZINC000097528998 454438713 /nfs/dbraw/zinc/43/87/13/454438713.db2.gz NNTKDMLBVIQAJX-OAHLLOKOSA-N 1 1 338.411 3.396 50 0 EGAAMO Cc1nccn1CC[N@H+](C)Cc1cnc2c(-c3ccccc3)cnn2c1 ZINC000097717310 454445110 /nfs/dbraw/zinc/44/51/10/454445110.db2.gz UNWLLELDNXXLRV-UHFFFAOYSA-N 1 1 346.438 3.033 50 0 EGAAMO OCc1cccc(C[C@@H]2CC[N@@H+](Cc3cnn(-c4ccccc4)c3)C2)c1 ZINC000091563245 454446193 /nfs/dbraw/zinc/44/61/93/454446193.db2.gz XHYTXFVACCDALM-IBGZPJMESA-N 1 1 347.462 3.429 50 0 EGAAMO Cc1cccc2c1cc(C(=O)N1CC[NH2+][C@H](c3ccccc3)C1)n2C ZINC000097785093 454446664 /nfs/dbraw/zinc/44/66/64/454446664.db2.gz HDNTYTJCVZSVTG-SFHVURJKSA-N 1 1 333.435 3.273 50 0 EGAAMO Cc1cccc([C@H](C(=O)NCCOc2ccccc2Cl)[NH+](C)C)c1 ZINC000091635869 454454939 /nfs/dbraw/zinc/45/49/39/454454939.db2.gz VINJLNPWBOMISH-GOSISDBHSA-N 1 1 346.858 3.446 50 0 EGAAMO CC[C@H](CO)[N@@H+](Cc1ccc(OC)c(O)c1)Cc1ccccc1C ZINC000063871537 454457508 /nfs/dbraw/zinc/45/75/08/454457508.db2.gz FDJXNMPBQDIHMN-GOSISDBHSA-N 1 1 329.440 3.482 50 0 EGAAMO O=C(CC1CCCC1)NCc1cc2n(n1)CC[N@H+](C1CCCCC1)C2 ZINC000091745920 454466634 /nfs/dbraw/zinc/46/66/34/454466634.db2.gz ASLTXIBRNBFSFZ-UHFFFAOYSA-N 1 1 344.503 3.228 50 0 EGAAMO CCC[C@]1(CO)CCC[N@@H+](Cc2cnn(-c3cccc(F)c3)c2)C1 ZINC000091779823 454470505 /nfs/dbraw/zinc/47/05/05/454470505.db2.gz YPDNVXZPMLGYCL-IBGZPJMESA-N 1 1 331.435 3.386 50 0 EGAAMO CC(C)=CC[C@@]1(CO)CCC[N@H+](C2CCN(C(=O)C3CCC3)CC2)C1 ZINC000091830292 454478707 /nfs/dbraw/zinc/47/87/07/454478707.db2.gz MEUBKCRMTNTKBE-NRFANRHFSA-N 1 1 348.531 3.208 50 0 EGAAMO COc1ccc2oc(CNC(=O)[C@H](C)n3cc[nH+]c3C(C)C)nc2c1 ZINC000065387449 454557948 /nfs/dbraw/zinc/55/79/48/454557948.db2.gz OAOCSTBIMVRDMC-LBPRGKRZSA-N 1 1 342.399 3.034 50 0 EGAAMO Cc1ccc(Cl)c(NC(=O)c2cccc(C[N@H+]3CC[C@H](O)C3)c2)c1 ZINC000065407089 454561917 /nfs/dbraw/zinc/56/19/17/454561917.db2.gz LALMWLKMGZHPBH-INIZCTEOSA-N 1 1 344.842 3.467 50 0 EGAAMO CCn1nccc1NC(=O)c1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000065451718 454569028 /nfs/dbraw/zinc/56/90/28/454569028.db2.gz WOAARTMJGWRWPE-HNNXBMFYSA-N 1 1 326.444 3.387 50 0 EGAAMO CC(C)CC[N@H+]1CCN(Cc2cc3ccccc3[nH]2)C[C@H]1CCO ZINC000104386027 454584042 /nfs/dbraw/zinc/58/40/42/454584042.db2.gz LOSCDTRQVBWMKQ-LJQANCHMSA-N 1 1 329.488 3.083 50 0 EGAAMO CCCCOc1ccc(CCC=C2SC(=O)N(CC[NH3+])C2=O)cc1 ZINC000118239825 455101290 /nfs/dbraw/zinc/10/12/90/455101290.db2.gz MPZXLTZVPUSTFY-SOFYXZRVSA-N 1 1 348.468 3.336 50 0 in-vitro EGAAMO Cc1sc2[nH]c([C@H](C)[N@@H+]3CC[C@@]4(CCOC4)C3)nc(=O)c2c1C ZINC000253552397 455853907 /nfs/dbraw/zinc/85/39/07/455853907.db2.gz ABNAGVRXSDKFIS-APPDUMDISA-N 1 1 333.457 3.187 50 0 EGAAMO Cc1sc2[nH]c([C@H](C)[N@H+]3CC[C@@]4(CCOC4)C3)nc(=O)c2c1C ZINC000253552397 455853912 /nfs/dbraw/zinc/85/39/12/455853912.db2.gz ABNAGVRXSDKFIS-APPDUMDISA-N 1 1 333.457 3.187 50 0 EGAAMO CCc1ccc(CN(C)C(=O)[C@@H](c2cccc(F)c2)[NH+](C)C)nc1 ZINC000219831455 456036662 /nfs/dbraw/zinc/03/66/62/456036662.db2.gz VEFGKYWVTPITRW-GOSISDBHSA-N 1 1 329.419 3.044 50 0 EGAAMO O=C(Nc1c(F)cccc1F)N[C@H]1CC[N@@H+](Cc2ccsc2)C1 ZINC000585150068 459830899 /nfs/dbraw/zinc/83/08/99/459830899.db2.gz SANVWTJWJWFNKR-LBPRGKRZSA-N 1 1 337.395 3.422 50 0 EGAAMO C[C@@H](c1ccco1)[N@H+](C)Cc1cccc(C(=O)Nc2nccn2C)c1 ZINC000067563035 472050222 /nfs/dbraw/zinc/05/02/22/472050222.db2.gz LUECACCTQRLYKA-AWEZNQCLSA-N 1 1 338.411 3.458 50 0 EGAAMO C[C@@H](c1ccco1)[N@@H+](C)Cc1cccc(C(=O)Nc2nccn2C)c1 ZINC000067563035 472050227 /nfs/dbraw/zinc/05/02/27/472050227.db2.gz LUECACCTQRLYKA-AWEZNQCLSA-N 1 1 338.411 3.458 50 0 EGAAMO C[N@@H+](Cc1ccc(Cn2cccn2)cc1)Cc1ccc2nonc2c1 ZINC000215120550 536469664 /nfs/dbraw/zinc/46/96/64/536469664.db2.gz SYUCBTKNWZMMAJ-UHFFFAOYSA-N 1 1 333.395 3.100 50 0 EGAAMO O=C(Cc1cccs1)N[C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000012590127 1291132830 /nfs/dbraw/zinc/13/28/30/1291132830.db2.gz RWHJWDLOVUARPB-QGZVFWFLSA-N 1 1 328.481 3.114 50 0 EGAAMO COc1ccc(-c2nc(C[N@H+]3CCC[C@H](OC)C3)c(C)o2)c(OC)c1 ZINC000019771217 1291193317 /nfs/dbraw/zinc/19/33/17/1291193317.db2.gz PGOSOSCCQQIYNO-HNNXBMFYSA-N 1 1 346.427 3.278 50 0 EGAAMO COc1ccc(-c2nc(C[N@@H+]3CCC[C@H](OC)C3)c(C)o2)c(OC)c1 ZINC000019771217 1291193323 /nfs/dbraw/zinc/19/33/23/1291193323.db2.gz PGOSOSCCQQIYNO-HNNXBMFYSA-N 1 1 346.427 3.278 50 0 EGAAMO Cc1ccc2[nH]c(=O)c(C[N@H+]3CCCC[C@@H]3c3ccn(C)n3)cc2c1 ZINC000067880849 1292176543 /nfs/dbraw/zinc/17/65/43/1292176543.db2.gz PPSWPMDEWHLQMH-LJQANCHMSA-N 1 1 336.439 3.297 50 0 EGAAMO Cc1ccc2[nH]c(=O)c(C[N@@H+]3CCCC[C@@H]3c3ccn(C)n3)cc2c1 ZINC000067880849 1292176548 /nfs/dbraw/zinc/17/65/48/1292176548.db2.gz PPSWPMDEWHLQMH-LJQANCHMSA-N 1 1 336.439 3.297 50 0 EGAAMO c1cc([C@H]2CCC[N@H+](Cc3cnc(NCc4ccccc4)nc3)C2)n[nH]1 ZINC000829069287 1292536021 /nfs/dbraw/zinc/53/60/21/1292536021.db2.gz UKJGHDHRKNZXFU-SFHVURJKSA-N 1 1 348.454 3.191 50 0 EGAAMO COCC[N@H+]1CCC[C@@H](c2nc(C)nn2Cc2ccc(Cl)cc2)C1 ZINC000824413147 1320255756 /nfs/dbraw/zinc/25/57/56/1320255756.db2.gz KCWHMUZVYNHNTI-MRXNPFEDSA-N 1 1 348.878 3.114 50 0 EGAAMO Cc1ccc(NC(=O)C2CCCC2)c(NC(=O)[C@@]2(C)CC[N@H+](C)C2)c1 ZINC000823755004 1320203726 /nfs/dbraw/zinc/20/37/26/1320203726.db2.gz PRWACCZSSVNPBO-FQEVSTJZSA-N 1 1 343.471 3.404 50 0 EGAAMO Cc1n[nH]c(C)c1C[N@@H+](CCOc1ccccc1)C[C@@H]1CCCO1 ZINC000952868580 1334583463 /nfs/dbraw/zinc/58/34/63/1334583463.db2.gz AUGHAUJUHXBPIU-SFHVURJKSA-N 1 1 329.444 3.087 50 0 EGAAMO CC[C@@H]1CCC[N@@H+](Cc2ccc(OC)c(Cn3cncn3)c2)CC1 ZINC000952982996 1334629760 /nfs/dbraw/zinc/62/97/60/1334629760.db2.gz NRLJOYSVMVGHIV-MRXNPFEDSA-N 1 1 328.460 3.347 50 0 EGAAMO Cc1cc(N2CCC(c3nc(N)n[nH]3)CC2)[nH+]c2cc3c(cc12)CCC3 ZINC001704301333 1416432709 /nfs/dbraw/zinc/43/27/09/1416432709.db2.gz VHDZTETXPZGIFZ-UHFFFAOYSA-N 1 1 348.454 3.116 50 0 EGAAMO Cc1csc(C[N@@H+]2C[C@@H](Cc3ccc4ccccc4n3)[C@H](O)C2)n1 ZINC001704303520 1416434313 /nfs/dbraw/zinc/43/43/13/1416434313.db2.gz KIFUNTWZJZUMDU-CRAIPNDOSA-N 1 1 339.464 3.035 50 0 EGAAMO CN(C(=O)C[N@@H+](C)C[C@@H]1CCN(c2ccccc2)C1)c1ccccc1 ZINC001704354114 1416453934 /nfs/dbraw/zinc/45/39/34/1416453934.db2.gz SJDLXYAWYKUXRL-SFHVURJKSA-N 1 1 337.467 3.108 50 0 EGAAMO FC(F)(F)c1ccccc1CN1CCC(C[NH+]2CCOCC2)CC1 ZINC000051957322 214109755 /nfs/dbraw/zinc/10/97/55/214109755.db2.gz IQXKNUVLCJFWFS-UHFFFAOYSA-N 1 1 342.405 3.250 50 0 EGAAMO FC(F)(F)c1ccccc1C[NH+]1CCC(CN2CCOCC2)CC1 ZINC000051957322 214109757 /nfs/dbraw/zinc/10/97/57/214109757.db2.gz IQXKNUVLCJFWFS-UHFFFAOYSA-N 1 1 342.405 3.250 50 0 EGAAMO Cc1nc2ccccn2c1C[N@H+]1CCC[C@H](C(=O)c2ccccn2)C1 ZINC000097716677 219050827 /nfs/dbraw/zinc/05/08/27/219050827.db2.gz FLWUPZVPODXWRC-INIZCTEOSA-N 1 1 334.423 3.133 50 0 EGAAMO Cc1nn(C)c(C)c1CN(C[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C1CC1 ZINC000055131839 214277250 /nfs/dbraw/zinc/27/72/50/214277250.db2.gz YTKMKRFMJPYBJI-FXAWDEMLSA-N 1 1 330.520 3.266 50 0 EGAAMO Cc1nn(C)c(C)c1CN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C1CC1 ZINC000055131839 214277251 /nfs/dbraw/zinc/27/72/51/214277251.db2.gz YTKMKRFMJPYBJI-FXAWDEMLSA-N 1 1 330.520 3.266 50 0 EGAAMO COc1cc(C[N@H+](Cc2ccccc2)C[C@@H](C)CO)cc2c1OCO2 ZINC000055227082 214292534 /nfs/dbraw/zinc/29/25/34/214292534.db2.gz SGQNUQAQBDPXSJ-OAHLLOKOSA-N 1 1 343.423 3.055 50 0 EGAAMO CSc1ccc(C[N@@H+](CCO)Cc2ccc3c(c2)OCCO3)cc1 ZINC000055325297 214307463 /nfs/dbraw/zinc/30/74/63/214307463.db2.gz BAWZARJLVXSOKT-UHFFFAOYSA-N 1 1 345.464 3.174 50 0 EGAAMO COCCn1ccnc1C[N@H+]1CCCC[C@H]1CCc1ccc(O)cc1 ZINC000055393401 214317220 /nfs/dbraw/zinc/31/72/20/214317220.db2.gz RQCHNRKOWPFPKL-SFHVURJKSA-N 1 1 343.471 3.222 50 0 EGAAMO COc1ccc(OCC[N@@H+]2CCC[C@H]2c2nc(C(C)C)no2)cc1 ZINC000065408309 214899834 /nfs/dbraw/zinc/89/98/34/214899834.db2.gz QTMPWCKJBNIOFQ-INIZCTEOSA-N 1 1 331.416 3.418 50 0 EGAAMO COc1ccc(OCC[N@H+]2CCC[C@H]2c2nc(C(C)C)no2)cc1 ZINC000065408309 214899837 /nfs/dbraw/zinc/89/98/37/214899837.db2.gz QTMPWCKJBNIOFQ-INIZCTEOSA-N 1 1 331.416 3.418 50 0 EGAAMO CC(C)(C)C(=O)NC[C@@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccccc2)C1 ZINC000067562091 215162545 /nfs/dbraw/zinc/16/25/45/215162545.db2.gz DCWVVKHDIDOJNN-HNNXBMFYSA-N 1 1 340.471 3.061 50 0 EGAAMO CC(C)c1[nH+]ccn1CCCNC(=O)c1ccc(-c2ccoc2)nc1 ZINC000067714605 215193151 /nfs/dbraw/zinc/19/31/51/215193151.db2.gz AQXPMBXMMQIJQR-UHFFFAOYSA-N 1 1 338.411 3.482 50 0 EGAAMO O=C(c1ccccn1)[C@H]1CCC[N@@H+](Cc2ccc(-n3ccnc3)cc2)C1 ZINC000067817341 215220648 /nfs/dbraw/zinc/22/06/48/215220648.db2.gz PDDYYZZCYQATJE-SFHVURJKSA-N 1 1 346.434 3.362 50 0 EGAAMO Cc1c2ccccc2[nH]c1C(=O)NC[C@@H]1CC[N@@H+](Cc2ccco2)C1 ZINC000067849867 215230258 /nfs/dbraw/zinc/23/02/58/215230258.db2.gz UVRZGKSXAGFBBD-HNNXBMFYSA-N 1 1 337.423 3.321 50 0 EGAAMO CC[C@@H](NC(=O)c1ccco1)C1=CCC[N@@H+](Cc2ccccn2)C1 ZINC000067834082 215225137 /nfs/dbraw/zinc/22/51/37/215225137.db2.gz KWWOEOZURHNISZ-QGZVFWFLSA-N 1 1 325.412 3.015 50 0 EGAAMO c1nnc(CN[C@H]2CC[N@@H+](Cc3ccccc3)C2)n1C1CCCCC1 ZINC000067910369 215249010 /nfs/dbraw/zinc/24/90/10/215249010.db2.gz YAASRZBTSRPXAI-SFHVURJKSA-N 1 1 339.487 3.147 50 0 EGAAMO c1nnc(C[NH2+][C@H]2CCN(Cc3ccccc3)C2)n1C1CCCCC1 ZINC000067910369 215249012 /nfs/dbraw/zinc/24/90/12/215249012.db2.gz YAASRZBTSRPXAI-SFHVURJKSA-N 1 1 339.487 3.147 50 0 EGAAMO CSCC[C@H]1c2[nH]cnc2CC[N@H+]1Cc1ccc(NC(C)=O)cc1 ZINC000067975164 215265530 /nfs/dbraw/zinc/26/55/30/215265530.db2.gz GKLXBCUSVYFLSY-KRWDZBQOSA-N 1 1 344.484 3.221 50 0 EGAAMO CSCC[C@H]1c2[nH]cnc2CC[N@@H+]1Cc1ccc(NC(C)=O)cc1 ZINC000067975164 215265532 /nfs/dbraw/zinc/26/55/32/215265532.db2.gz GKLXBCUSVYFLSY-KRWDZBQOSA-N 1 1 344.484 3.221 50 0 EGAAMO Cc1ccccc1C[N@H+]1CCN(CCc2ccccc2)C[C@H]1CCO ZINC000104342896 219377026 /nfs/dbraw/zinc/37/70/26/219377026.db2.gz WIKXTGXCLMHCKB-JOCHJYFZSA-N 1 1 338.495 3.106 50 0 EGAAMO Cc1ccccc1CN1CC[N@H+](CCc2ccccc2)C[C@H]1CCO ZINC000104342896 219377029 /nfs/dbraw/zinc/37/70/29/219377029.db2.gz WIKXTGXCLMHCKB-JOCHJYFZSA-N 1 1 338.495 3.106 50 0 EGAAMO Cc1ccccc1CN1CC[N@@H+](CCc2ccccc2)C[C@H]1CCO ZINC000104342896 219377035 /nfs/dbraw/zinc/37/70/35/219377035.db2.gz WIKXTGXCLMHCKB-JOCHJYFZSA-N 1 1 338.495 3.106 50 0 EGAAMO O=C(CC[N@@H+]1CCC[C@@H](CCc2ccc(F)cc2)C1)N1CCCC1 ZINC000072121729 216015328 /nfs/dbraw/zinc/01/53/28/216015328.db2.gz GOAYREXTKWRBRZ-SFHVURJKSA-N 1 1 332.463 3.483 50 0 EGAAMO NC(=O)CC[N@H+]1CCC[C@@H](CCc2ccccc2C(F)(F)F)C1 ZINC000072140018 216026312 /nfs/dbraw/zinc/02/63/12/216026312.db2.gz FPHBTTRKOWJLOK-ZDUSSCGKSA-N 1 1 328.378 3.225 50 0 EGAAMO CC(C)Cc1cc(C[N@@H+]2CCC[C@H](OCc3cccnc3)C2)[nH]n1 ZINC000072144309 216030821 /nfs/dbraw/zinc/03/08/21/216030821.db2.gz XZORVDWZMUELQZ-IBGZPJMESA-N 1 1 328.460 3.184 50 0 EGAAMO CC(C)Cc1cc(C[N@H+]2CCC[C@H](OCc3cccnc3)C2)[nH]n1 ZINC000072144309 216030823 /nfs/dbraw/zinc/03/08/23/216030823.db2.gz XZORVDWZMUELQZ-IBGZPJMESA-N 1 1 328.460 3.184 50 0 EGAAMO Clc1cccnc1N1CCN(C[C@@H]2CCC[N@H+]3CCCC[C@H]23)CC1 ZINC000072146537 216033226 /nfs/dbraw/zinc/03/32/26/216033226.db2.gz RDXRERMVVUAJND-FUHWJXTLSA-N 1 1 348.922 3.122 50 0 EGAAMO c1ccc(OCC[N@H+](Cc2cccnc2)[C@@H]2CN3CCC2CC3)cc1 ZINC000072148333 216035404 /nfs/dbraw/zinc/03/54/04/216035404.db2.gz ADRLUVKDYYJPLJ-OAQYLSRUSA-N 1 1 337.467 3.057 50 0 EGAAMO c1ccc(OCC[N@@H+](Cc2cccnc2)[C@@H]2CN3CCC2CC3)cc1 ZINC000072148333 216035405 /nfs/dbraw/zinc/03/54/05/216035405.db2.gz ADRLUVKDYYJPLJ-OAQYLSRUSA-N 1 1 337.467 3.057 50 0 EGAAMO Cc1cccc(NC(=O)N2CCCC[C@@H]2CC[NH+]2CCOCC2)c1C ZINC000072149486 216037182 /nfs/dbraw/zinc/03/71/82/216037182.db2.gz BANXFQRIJYQAEO-GOSISDBHSA-N 1 1 345.487 3.412 50 0 EGAAMO CN(C)c1ccc(C[N@H+]2CCC[C@H](Cc3nc4ccccc4[nH]3)C2)cn1 ZINC000072163704 216051815 /nfs/dbraw/zinc/05/18/15/216051815.db2.gz LYTBYVSZYIQYIQ-MRXNPFEDSA-N 1 1 349.482 3.479 50 0 EGAAMO COc1ccc2n[nH]c(CN3CCC([C@@H](C)[NH+]4CCCC4)CC3)c2c1 ZINC000072436383 216231049 /nfs/dbraw/zinc/23/10/49/216231049.db2.gz KNDCWBBGSWBFCA-OAHLLOKOSA-N 1 1 342.487 3.268 50 0 EGAAMO COc1ccc2[nH]nc(CN3CCC([C@@H](C)[NH+]4CCCC4)CC3)c2c1 ZINC000072436383 216231051 /nfs/dbraw/zinc/23/10/51/216231051.db2.gz KNDCWBBGSWBFCA-OAHLLOKOSA-N 1 1 342.487 3.268 50 0 EGAAMO Cc1cccc(N2CCC3(CCC[N@H+]3Cc3cccnc3N)CC2)n1 ZINC000072474192 216251162 /nfs/dbraw/zinc/25/11/62/216251162.db2.gz PSZRFKLXKAZSPO-UHFFFAOYSA-N 1 1 337.471 3.002 50 0 EGAAMO c1c(C[N@@H+]2CCCN(Cc3ccccn3)CC2)onc1-c1ccccc1 ZINC000215080816 241105106 /nfs/dbraw/zinc/10/51/06/241105106.db2.gz QQHPJJPGMANUSB-UHFFFAOYSA-N 1 1 348.450 3.445 50 0 EGAAMO c1c(CN2CCC[N@H+](Cc3ccccn3)CC2)onc1-c1ccccc1 ZINC000215080816 241105114 /nfs/dbraw/zinc/10/51/14/241105114.db2.gz QQHPJJPGMANUSB-UHFFFAOYSA-N 1 1 348.450 3.445 50 0 EGAAMO c1c(CN2CCC[N@@H+](Cc3ccccn3)CC2)onc1-c1ccccc1 ZINC000215080816 241105119 /nfs/dbraw/zinc/10/51/19/241105119.db2.gz QQHPJJPGMANUSB-UHFFFAOYSA-N 1 1 348.450 3.445 50 0 EGAAMO CC(C)(CN1CCC([C@@H](O)Cc2ccccc2)CC1)C[NH+]1CCCC1 ZINC000215776061 241145808 /nfs/dbraw/zinc/14/58/08/241145808.db2.gz MCNGAHVDVXFPGN-NRFANRHFSA-N 1 1 344.543 3.424 50 0 EGAAMO CCOc1cc2c(cc1C[N@H+]1CCC[C@@H](c3nnc[nH]3)C1)CCC2 ZINC000215888475 241154375 /nfs/dbraw/zinc/15/43/75/241154375.db2.gz DLILXZTZLWPSME-MRXNPFEDSA-N 1 1 326.444 3.072 50 0 EGAAMO C[C@H](Cc1cnccn1)[N@@H+](C)Cc1cnc(C2CCCCC2)nc1 ZINC000216248704 241178103 /nfs/dbraw/zinc/17/81/03/241178103.db2.gz YCLPQTPTNIAKLJ-OAHLLOKOSA-N 1 1 325.460 3.377 50 0 EGAAMO Cn1ccc2ccc(C[N@H+]3CCCN(Cc4ccccn4)CC3)cc21 ZINC000216476954 241194427 /nfs/dbraw/zinc/19/44/27/241194427.db2.gz RDPJCIGOXGIFBU-UHFFFAOYSA-N 1 1 334.467 3.281 50 0 EGAAMO Cc1c2cc(F)ccc2[nH]c1C[N@H+]1CCCN(c2ncccn2)CC1 ZINC000215666920 241138379 /nfs/dbraw/zinc/13/83/79/241138379.db2.gz GMPHJVDMQOWGKT-UHFFFAOYSA-N 1 1 339.418 3.118 50 0 EGAAMO OCC[C@@H]1CN(Cc2c[nH]c3ccccc23)CC[N@H+]1C1CCCCC1 ZINC000020992107 212194585 /nfs/dbraw/zinc/19/45/85/212194585.db2.gz VITRYXONMZTMRN-LJQANCHMSA-N 1 1 341.499 3.369 50 0 EGAAMO c1ccc2c(c1)CC([N@H+]1CCCN(CCCc3cccnc3)CC1)C2 ZINC000244574932 243042308 /nfs/dbraw/zinc/04/23/08/243042308.db2.gz CTUKDMLGZJYXFW-UHFFFAOYSA-N 1 1 335.495 3.189 50 0 EGAAMO c1ccc2c(c1)CC(N1CCC[N@@H+](CCCc3cccnc3)CC1)C2 ZINC000244574932 243042314 /nfs/dbraw/zinc/04/23/14/243042314.db2.gz CTUKDMLGZJYXFW-UHFFFAOYSA-N 1 1 335.495 3.189 50 0 EGAAMO c1ccc2c(c1)CC(N1CCC[N@H+](CCCc3cccnc3)CC1)C2 ZINC000244574932 243042320 /nfs/dbraw/zinc/04/23/20/243042320.db2.gz CTUKDMLGZJYXFW-UHFFFAOYSA-N 1 1 335.495 3.189 50 0 EGAAMO CC(C)C[N@H+]1CCN(Cc2c(F)cccc2Cl)C[C@@H]1CCO ZINC000020294258 212116364 /nfs/dbraw/zinc/11/63/64/212116364.db2.gz ZDHOQMNDHRSERR-AWEZNQCLSA-N 1 1 328.859 3.004 50 0 EGAAMO CC[C@@H](Oc1ccccc1)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020149466 212106305 /nfs/dbraw/zinc/10/63/05/212106305.db2.gz ZQFBEKSBOKBSOK-HXUWFJFHSA-N 1 1 338.451 3.188 50 0 EGAAMO Cc1ccc2occ(CN3CC[NH+](Cc4ccccc4)CC3)c(=O)c2c1 ZINC000019634024 212052617 /nfs/dbraw/zinc/05/26/17/212052617.db2.gz CYVDIPIBMANUKY-UHFFFAOYSA-N 1 1 348.446 3.419 50 0 EGAAMO CSc1ccc(CN2CC[N@@H+](C3CCCC3)[C@@H](CCO)C2)cc1 ZINC000019595302 212050827 /nfs/dbraw/zinc/05/08/27/212050827.db2.gz CKFPJEAXCARGJQ-SFHVURJKSA-N 1 1 334.529 3.220 50 0 EGAAMO O=C(CN1CC[NH+](Cc2ccccc2)CC1)Nc1ccccc1Cl ZINC000019296533 212012516 /nfs/dbraw/zinc/01/25/16/212012516.db2.gz FEYCKEVYBMFUFG-UHFFFAOYSA-N 1 1 343.858 3.096 50 0 EGAAMO Cc1ccc([C@@H](CNC(=O)COc2ccccc2Cl)[NH+](C)C)o1 ZINC000015860122 211861297 /nfs/dbraw/zinc/86/12/97/211861297.db2.gz SXBDYFHJTQQJCL-CQSZACIVSA-N 1 1 336.819 3.039 50 0 EGAAMO CCOC(=O)N1CCC([N@H+]2CCC[C@H](Nc3ccccc3)C2)CC1 ZINC000012318579 211344181 /nfs/dbraw/zinc/34/41/81/211344181.db2.gz SCBCZBMKUNASDT-KRWDZBQOSA-N 1 1 331.460 3.184 50 0 EGAAMO Cc1[nH+]cc(CN2CCO[C@@H](Cc3cccc4ccccc43)C2)n1C ZINC000011936045 211272159 /nfs/dbraw/zinc/27/21/59/211272159.db2.gz REJCDSHHAXUDDV-FQEVSTJZSA-N 1 1 335.451 3.325 50 0 EGAAMO CC(C)c1[nH+]ccn1Cc1cc(C(=O)N(C)Cc2ccccc2)[nH]n1 ZINC000011816592 211250758 /nfs/dbraw/zinc/25/07/58/211250758.db2.gz OGXLRXHXQROVCS-UHFFFAOYSA-N 1 1 337.427 3.050 50 0 EGAAMO OCCOc1ccc(C[N@H+]2CCC[C@@H](Nc3ccc(F)cc3)C2)cc1 ZINC000011753759 211243166 /nfs/dbraw/zinc/24/31/66/211243166.db2.gz NPDCPFGHMINOCC-LJQANCHMSA-N 1 1 344.430 3.273 50 0 EGAAMO Cc1ccc([C@@H](CNC(=O)c2c[nH]nc2C2CCCCC2)[NH+](C)C)o1 ZINC000091849411 218076731 /nfs/dbraw/zinc/07/67/31/218076731.db2.gz QASFHLSXQREWGW-MRXNPFEDSA-N 1 1 344.459 3.392 50 0 EGAAMO CC[N@H+]1C[C@H](c2ccccc2)CC2(CCN(C(=O)N(C)C)CC2)C1 ZINC000091964978 218096212 /nfs/dbraw/zinc/09/62/12/218096212.db2.gz ZIOZLSBUAXGFQP-GOSISDBHSA-N 1 1 329.488 3.260 50 0 EGAAMO CCc1ccc(O[C@@H](C)C(=O)NC[C@@H](c2ccco2)[NH+](C)C)cc1 ZINC000009531148 211099460 /nfs/dbraw/zinc/09/94/60/211099460.db2.gz RGAGILNWDBNRHM-YOEHRIQHSA-N 1 1 330.428 3.028 50 0 EGAAMO CC(C)=CC[N@H+]1C[C@H]2CC[C@@H]1CN(Cc1ccc(N(C)C)nc1)C2 ZINC000095359529 218293164 /nfs/dbraw/zinc/29/31/64/218293164.db2.gz MPIXKCWJQCEIOT-RBUKOAKNSA-N 1 1 328.504 3.010 50 0 EGAAMO CC(C)=CCN1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccc(N(C)C)nc1)C2 ZINC000095359529 218293167 /nfs/dbraw/zinc/29/31/67/218293167.db2.gz MPIXKCWJQCEIOT-RBUKOAKNSA-N 1 1 328.504 3.010 50 0 EGAAMO CC(C)=CCN1C[C@H]2CC[C@@H]1C[N@@H+](Cc1ccc(N(C)C)nc1)C2 ZINC000095359529 218293170 /nfs/dbraw/zinc/29/31/70/218293170.db2.gz MPIXKCWJQCEIOT-RBUKOAKNSA-N 1 1 328.504 3.010 50 0 EGAAMO C[C@@H](O)c1cccc(N2CCC([N@H+]3CCc4ccccc4C3)CC2)n1 ZINC000095375640 218309400 /nfs/dbraw/zinc/30/94/00/218309400.db2.gz NYJMGNLAYYRMDP-MRXNPFEDSA-N 1 1 337.467 3.162 50 0 EGAAMO Cc1ccc(F)c(CNC(=O)[C@H](c2ccc(F)cc2)[NH+](C)C)c1F ZINC000095380021 218312444 /nfs/dbraw/zinc/31/24/44/218312444.db2.gz GWUNGSLHTPPZQJ-KRWDZBQOSA-N 1 1 336.357 3.331 50 0 EGAAMO CC(C)c1nc(CN(C)C(=O)[C@H]2Cc3ccccc3C[N@@H+]2C)cs1 ZINC000095381112 218313874 /nfs/dbraw/zinc/31/38/74/218313874.db2.gz XMYZLQGYSMVQMW-QGZVFWFLSA-N 1 1 343.496 3.282 50 0 EGAAMO CC(C)c1nc(CN(C)C(=O)[C@H]2Cc3ccccc3C[N@H+]2C)cs1 ZINC000095381112 218313876 /nfs/dbraw/zinc/31/38/76/218313876.db2.gz XMYZLQGYSMVQMW-QGZVFWFLSA-N 1 1 343.496 3.282 50 0 EGAAMO Cc1ccc(C[N@H+]2CCN(Cc3ccccc3F)[C@H](CCO)C2)s1 ZINC000097307784 219010813 /nfs/dbraw/zinc/01/08/13/219010813.db2.gz RGWREWKPOFHULU-QGZVFWFLSA-N 1 1 348.487 3.264 50 0 EGAAMO CC(C)Cc1cc(C(=O)NC[C@H](c2ccco2)[NH+]2CCCC2)on1 ZINC000097514269 219031241 /nfs/dbraw/zinc/03/12/41/219031241.db2.gz IFSUKZUPHNIDEC-OAHLLOKOSA-N 1 1 331.416 3.033 50 0 EGAAMO CO[C@]12CC[N@@H+](Cc3cccc(OC(F)(F)F)c3)[C@H]1C[C@@H](O)CC2 ZINC000299772961 258084936 /nfs/dbraw/zinc/08/49/36/258084936.db2.gz BHBCBDYFUVOFIM-CWRNSKLLSA-N 1 1 345.361 3.090 50 0 EGAAMO CCn1ccc2ccc(C[N@H+]3CC[C@]4(OC)CC[C@H](O)C[C@H]34)cc21 ZINC000299777602 258088016 /nfs/dbraw/zinc/08/80/16/258088016.db2.gz NRXIBTQETDPKSP-YSIASYRMSA-N 1 1 328.456 3.166 50 0 EGAAMO c1ccc([C@@H]2C[C@H](c3noc(-c4cnccn4)n3)[C@H]3CCC[N@@H+]32)cc1 ZINC000299796386 258100417 /nfs/dbraw/zinc/10/04/17/258100417.db2.gz MPMXDDAOALHCPC-UAGQMJEPSA-N 1 1 333.395 3.220 50 0 EGAAMO C[C@@H](CC[N@@H+]1CCC(=O)N(Cc2ccncc2)CC1)c1ccccc1 ZINC000299799196 258102834 /nfs/dbraw/zinc/10/28/34/258102834.db2.gz VQIBJCXXCUPTKD-SFHVURJKSA-N 1 1 337.467 3.310 50 0 EGAAMO Cc1ccc(-c2cc(C(F)(F)F)nc(N3CC[NH+](C)CC3)n2)s1 ZINC000036618625 132391625 /nfs/dbraw/zinc/39/16/25/132391625.db2.gz YOKYPNISWLHLQH-UHFFFAOYSA-N 1 1 342.390 3.284 50 0 EGAAMO CCN(CC)C(=O)[C@H]1CCC[N@@H+](Cc2ccc(Br)o2)C1 ZINC000000202297 452532904 /nfs/dbraw/zinc/53/29/04/452532904.db2.gz KYLZWNWRFKJPRX-LBPRGKRZSA-N 1 1 343.265 3.123 50 0 EGAAMO COc1ccc(C[N@H+]2CC[C@H](c3cccc(OC)c3OC)C2)cn1 ZINC000216230400 274109290 /nfs/dbraw/zinc/10/92/90/274109290.db2.gz AHVCJSOWFPAWBV-HNNXBMFYSA-N 1 1 328.412 3.097 50 0 EGAAMO COc1ccc(C[N@@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)cc1C(=O)[O-] ZINC000077301038 295128528 /nfs/dbraw/zinc/12/85/28/295128528.db2.gz AFKFSVIVWGJYCK-QGZVFWFLSA-N 1 1 346.471 3.234 50 0 EGAAMO COc1ccc(C[N@H+]2CCCC[C@@H]2CC[NH+]2CCCC2)cc1C(=O)[O-] ZINC000077301038 295128529 /nfs/dbraw/zinc/12/85/29/295128529.db2.gz AFKFSVIVWGJYCK-QGZVFWFLSA-N 1 1 346.471 3.234 50 0 EGAAMO Cc1nnsc1C[N@@H+](C)Cc1ccc2c3c1cccc3C(=O)OC2 ZINC000244858407 455276689 /nfs/dbraw/zinc/27/66/89/455276689.db2.gz VKONDAZKJSDGQR-UHFFFAOYSA-N 1 1 339.420 3.302 50 0 EGAAMO Cc1nnsc1C[N@H+](C)Cc1ccc2c3c1cccc3C(=O)OC2 ZINC000244858407 455276694 /nfs/dbraw/zinc/27/66/94/455276694.db2.gz VKONDAZKJSDGQR-UHFFFAOYSA-N 1 1 339.420 3.302 50 0 EGAAMO CCN(CC)C(=O)[C@H]1CCC[N@H+](Cc2ccc(Br)o2)C1 ZINC000000202297 452532899 /nfs/dbraw/zinc/53/28/99/452532899.db2.gz KYLZWNWRFKJPRX-LBPRGKRZSA-N 1 1 343.265 3.123 50 0 EGAAMO COc1ccc(-c2csc(NC(=O)C[NH+]3CCC(C)CC3)n2)cc1 ZINC000007548220 453086008 /nfs/dbraw/zinc/08/60/08/453086008.db2.gz RYOVECIUIRMBTC-UHFFFAOYSA-N 1 1 345.468 3.489 50 0 EGAAMO CSCC[C@@H](C)[N@H+]1CCc2[nH]nc(-c3ccc4c(c3)OCO4)c2C1 ZINC000015070078 453554686 /nfs/dbraw/zinc/55/46/86/453554686.db2.gz CUQDHUZBXHBUCO-GFCCVEGCSA-N 1 1 345.468 3.305 50 0 EGAAMO CN(N)c1cc(-n2nc(-c3ccccc3)cc2-c2ccccc2)nc[nH+]1 ZINC000016188642 453597948 /nfs/dbraw/zinc/59/79/48/453597948.db2.gz IFFNJKDFURMVKT-UHFFFAOYSA-N 1 1 342.406 3.306 50 0 EGAAMO COc1cc(C[N@H+]2CCC[C@H](CO)C2)ccc1OCc1ccccc1 ZINC000023281949 453708193 /nfs/dbraw/zinc/70/81/93/453708193.db2.gz UXIQTIAKLOTOFO-IBGZPJMESA-N 1 1 341.451 3.479 50 0 EGAAMO O[C@@](CC[NH+]1CCOCC1)(Cc1ccccc1)c1ccc(Cl)cc1 ZINC000027346175 453815177 /nfs/dbraw/zinc/81/51/77/453815177.db2.gz CNZDVSVAODNGMJ-FQEVSTJZSA-N 1 1 345.870 3.493 50 0 EGAAMO O=C(NCc1ccc(F)cc1F)N1CCC[N@H+](C2CCCC2)CC1 ZINC000265775964 455379189 /nfs/dbraw/zinc/37/91/89/455379189.db2.gz UHXCWAVUIDAZDO-UHFFFAOYSA-N 1 1 337.414 3.125 50 0 EGAAMO CCC[N@H+]1CCCn2nc(CNC(=O)c3cc(C)c(C)s3)cc2C1 ZINC000082117187 453925439 /nfs/dbraw/zinc/92/54/39/453925439.db2.gz MUMBYDRKGCUEQC-UHFFFAOYSA-N 1 1 346.500 3.107 50 0 EGAAMO Cc1ccc(C[N@H+]2CC[C@@H](CNC(=O)NC3CCCC3)C2)cc1F ZINC000067642554 453952426 /nfs/dbraw/zinc/95/24/26/453952426.db2.gz DBLMGXFEUMZNIG-INIZCTEOSA-N 1 1 333.451 3.198 50 0 EGAAMO Fc1ccc(C[N@@H+](Cc2cnc3nccn3c2)C[C@H]2CCCO2)cc1 ZINC000055165826 453967623 /nfs/dbraw/zinc/96/76/23/453967623.db2.gz ZQSLBUITMSOAKR-GOSISDBHSA-N 1 1 340.402 3.050 50 0 EGAAMO Fc1ccc(C[N@H+](Cc2cnc3nccn3c2)C[C@H]2CCCO2)cc1 ZINC000055165826 453967624 /nfs/dbraw/zinc/96/76/24/453967624.db2.gz ZQSLBUITMSOAKR-GOSISDBHSA-N 1 1 340.402 3.050 50 0 EGAAMO CCC(CC)[N@H+]1CCC[C@@]2(CCC(=O)N(Cc3cnc(C)cn3)C2)C1 ZINC000077505987 454115085 /nfs/dbraw/zinc/11/50/85/454115085.db2.gz DYRVNHJMCXSKNC-HXUWFJFHSA-N 1 1 344.503 3.178 50 0 EGAAMO c1cnn(CC[C@H]2CCCC[N@H+]2Cc2cnc(-c3ccccn3)nc2)c1 ZINC000077505047 454115209 /nfs/dbraw/zinc/11/52/09/454115209.db2.gz WALWRXQJQZINKT-GOSISDBHSA-N 1 1 348.454 3.180 50 0 EGAAMO Nc1ncccc1C[N@H+]1CCC[C@H](c2n[nH]cc2Cc2ccccc2)C1 ZINC000077565931 454124060 /nfs/dbraw/zinc/12/40/60/454124060.db2.gz XNYPDBAFTRFTQU-KRWDZBQOSA-N 1 1 347.466 3.357 50 0 EGAAMO Fc1ccc(C[N@@H+]2CCC[C@H](CN3CCOCC3)C2)c(Cl)c1 ZINC000069804119 454146106 /nfs/dbraw/zinc/14/61/06/454146106.db2.gz IEOKCKPRAPJWQD-CQSZACIVSA-N 1 1 326.843 3.023 50 0 EGAAMO Fc1ccc(C[N@H+]2CCC[C@H](CN3CCOCC3)C2)c(Cl)c1 ZINC000069804119 454146109 /nfs/dbraw/zinc/14/61/09/454146109.db2.gz IEOKCKPRAPJWQD-CQSZACIVSA-N 1 1 326.843 3.023 50 0 EGAAMO O=C1CCCN1C1CC[NH+](Cc2cnc(C3CCCCC3)nc2)CC1 ZINC000071613726 454208553 /nfs/dbraw/zinc/20/85/53/454208553.db2.gz NESFHCROOYVTMO-UHFFFAOYSA-N 1 1 342.487 3.111 50 0 EGAAMO COc1ccc(CN2CCC[N@@H+](CC3CC3)[C@@H](C(C)C)C2)cc1O ZINC000071774720 454218193 /nfs/dbraw/zinc/21/81/93/454218193.db2.gz LPKQHJZJPXKNMY-GOSISDBHSA-N 1 1 332.488 3.343 50 0 EGAAMO Cc1cc(C)nc(N2CCC[C@H](c3[nH+]ccn3Cc3cccnc3)C2)n1 ZINC000095511415 454225554 /nfs/dbraw/zinc/22/55/54/454225554.db2.gz VBCOFENSILKCEA-SFHVURJKSA-N 1 1 348.454 3.117 50 0 EGAAMO Cc1ccccc1COC1CN(C(=O)[C@H](C)n2cc[nH+]c2C(C)C)C1 ZINC000095529277 454229135 /nfs/dbraw/zinc/22/91/35/454229135.db2.gz VUENWDTXUPWVMQ-INIZCTEOSA-N 1 1 341.455 3.304 50 0 EGAAMO COCCC[N@H+]1CC[C@@H](CNC(=O)Nc2cccc3cc(C)oc32)C1 ZINC000096150468 454292548 /nfs/dbraw/zinc/29/25/48/454292548.db2.gz MWSILDKWIPNJDA-HNNXBMFYSA-N 1 1 345.443 3.221 50 0 EGAAMO Cn1ccc2c1cccc2C(=O)NC[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000079193015 454380374 /nfs/dbraw/zinc/38/03/74/454380374.db2.gz OTNPOMCTGDFKFI-MAUKXSAKSA-N 1 1 325.456 3.173 50 0 biogenic EGAAMO CN(c1ccccc1)c1ccc(C[N@H+]2CCC[C@@](O)(CO)CC2)cc1 ZINC000097117525 454413151 /nfs/dbraw/zinc/41/31/51/454413151.db2.gz LWSZDEHRMOLZAW-NRFANRHFSA-N 1 1 340.467 3.164 50 0 EGAAMO CCCCc1cn(C2CC[NH+](C3CCN(CCC)CC3)CC2)nn1 ZINC000048090855 454442758 /nfs/dbraw/zinc/44/27/58/454442758.db2.gz HGRQWYMYMRYHPV-UHFFFAOYSA-N 1 1 333.524 3.132 50 0 EGAAMO c1ccc(C2(c3ccccc3)CCC[N@H+](C[C@@H]3COCCO3)C2)cc1 ZINC000091655821 454454123 /nfs/dbraw/zinc/45/41/23/454454123.db2.gz CRDOBPRLVFBCJJ-OAQYLSRUSA-N 1 1 337.463 3.484 50 0 EGAAMO Cc1ccc2oc(N3CC[NH+](Cc4ccc(O)c(C)c4)CC3)nc2c1 ZINC000065376395 454556494 /nfs/dbraw/zinc/55/64/94/454556494.db2.gz MYFWUYAWCFTEFO-UHFFFAOYSA-N 1 1 337.423 3.472 50 0 EGAAMO OCc1ccc(C[N@H+]2CC[C@@H](c3ccnc(-c4cccnc4)c3)C2)o1 ZINC000065403804 454559987 /nfs/dbraw/zinc/55/99/87/454559987.db2.gz BVGINXMKLLVAFX-QGZVFWFLSA-N 1 1 335.407 3.218 50 0 EGAAMO Cc1cc(C[C@H](C)[NH2+]CC(=O)Nc2c(C)cccc2C(C)C)n[nH]1 ZINC000065403997 454560304 /nfs/dbraw/zinc/56/03/04/454560304.db2.gz AYMLBNQABINBKO-AWEZNQCLSA-N 1 1 328.460 3.309 50 0 EGAAMO COc1ccc(-c2ccc([C@@H](O)C[NH+]3CCOCC3)cc2)cc1Cl ZINC000065397346 454560499 /nfs/dbraw/zinc/56/04/99/454560499.db2.gz SUYPMSRPQVQLNZ-SFHVURJKSA-N 1 1 347.842 3.381 50 0 EGAAMO O=C(c1ccncc1)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000106638369 454708130 /nfs/dbraw/zinc/70/81/30/454708130.db2.gz DLTHOCRRQVUWSB-VQTJNVASSA-N 1 1 335.451 3.351 50 0 EGAAMO C[C@H](C(=O)N1CCC[N@H+](C2CCCC2)CC1)n1cnc2ccccc21 ZINC000172418188 455152481 /nfs/dbraw/zinc/15/24/81/455152481.db2.gz NAFHMNOUIGEGAQ-MRXNPFEDSA-N 1 1 340.471 3.074 50 0 EGAAMO COc1ccc(C[N@H+](C)Cc2cc(C(N)=O)oc2C(C)(C)C)cc1 ZINC000252490444 455811913 /nfs/dbraw/zinc/81/19/13/455811913.db2.gz KTNBGYMWXNOUQX-UHFFFAOYSA-N 1 1 330.428 3.317 50 0 EGAAMO COc1ccc(C[N@@H+](C)Cc2cc(C(N)=O)oc2C(C)(C)C)cc1 ZINC000252490444 455811932 /nfs/dbraw/zinc/81/19/32/455811932.db2.gz KTNBGYMWXNOUQX-UHFFFAOYSA-N 1 1 330.428 3.317 50 0 EGAAMO CC[N@@H+](CC(=O)Nc1cc(C)ccc1C)C[C@@H](O)c1cccc(O)c1 ZINC000252489526 455812141 /nfs/dbraw/zinc/81/21/41/455812141.db2.gz JSKVNNWXYMUZCE-LJQANCHMSA-N 1 1 342.439 3.003 50 0 EGAAMO CC[N@H+](CC(=O)Nc1cc(C)ccc1C)C[C@@H](O)c1cccc(O)c1 ZINC000252489526 455812142 /nfs/dbraw/zinc/81/21/42/455812142.db2.gz JSKVNNWXYMUZCE-LJQANCHMSA-N 1 1 342.439 3.003 50 0 EGAAMO Cn1ccc2cc(C[N@H+]3CCC[C@H]3C(=O)N3CCCCC3)ccc21 ZINC000252504171 455816588 /nfs/dbraw/zinc/81/65/88/455816588.db2.gz VHWGFRLAXICOIJ-IBGZPJMESA-N 1 1 325.456 3.155 50 0 EGAAMO COc1ccccc1OCCC[N@H+]1CC[C@H](n2nc(C)cc2C)C1 ZINC000252510226 455818697 /nfs/dbraw/zinc/81/86/97/455818697.db2.gz ZFBZIVSJCXSGCG-KRWDZBQOSA-N 1 1 329.444 3.224 50 0 EGAAMO CC(C)c1[nH+]ccn1[C@H](C)C(=O)NCc1ccccc1-n1cccn1 ZINC000219881890 456036601 /nfs/dbraw/zinc/03/66/01/456036601.db2.gz GKZLCZCBBMTMOQ-OAHLLOKOSA-N 1 1 337.427 3.070 50 0 EGAAMO CN(Cc1ccc2c(c1)C[N@H+](C)C2)C(=O)CCc1nc2ccccc2[nH]1 ZINC000223594978 456058950 /nfs/dbraw/zinc/05/89/50/456058950.db2.gz ZRLATSZQSGLPOL-UHFFFAOYSA-N 1 1 348.450 3.100 50 0 EGAAMO COc1ccc(/C=C/C[N@H+]2CCCC[C@H]2CCN2CCOCC2)cc1 ZINC000216270524 536595938 /nfs/dbraw/zinc/59/59/38/536595938.db2.gz XQEXSOKOAVLOAP-SGSXCFNPSA-N 1 1 344.499 3.285 50 0 EGAAMO COCc1ccc(C[NH2+][C@@H](C)c2cnc(-c3ccncc3)nc2C)o1 ZINC000064031680 546562887 /nfs/dbraw/zinc/56/28/87/546562887.db2.gz YYISYMQOYCJTKU-ZDUSSCGKSA-N 1 1 338.411 3.437 50 0 EGAAMO Cc1[nH+]ccn1CC(=O)NCc1cccnc1Oc1ccccc1C ZINC000011754220 1291127791 /nfs/dbraw/zinc/12/77/91/1291127791.db2.gz FDBJZYGIOXXMQI-UHFFFAOYSA-N 1 1 336.395 3.004 50 0 EGAAMO COc1ccc(-c2n[nH]cc2C[N@H+]2CCCC[C@@H]2CCCO)cc1F ZINC000012316748 1291131738 /nfs/dbraw/zinc/13/17/38/1291131738.db2.gz CFPWCHGSKOFOAJ-MRXNPFEDSA-N 1 1 347.434 3.351 50 0 EGAAMO COCCN1CCC[C@]2(CC[N@@H+](Cc3ccc(C(C)C)cc3)C2)C1=O ZINC000012302060 1291131845 /nfs/dbraw/zinc/13/18/45/1291131845.db2.gz VCQLLEXTCDDULZ-OAQYLSRUSA-N 1 1 344.499 3.271 50 0 EGAAMO C[C@@H]1C[N@@H+](CCOCCOc2c(Cl)cccc2Cl)C[C@H](C)O1 ZINC000016247300 1291170926 /nfs/dbraw/zinc/17/09/26/1291170926.db2.gz HHQZSIGJXKVEIG-BETUJISGSA-N 1 1 348.270 3.498 50 0 EGAAMO C[C@@H]1C[N@H+](CCOCCOc2c(Cl)cccc2Cl)C[C@H](C)O1 ZINC000016247300 1291170930 /nfs/dbraw/zinc/17/09/30/1291170930.db2.gz HHQZSIGJXKVEIG-BETUJISGSA-N 1 1 348.270 3.498 50 0 EGAAMO c1cc(-c2cn(C[C@H]3CCC[N@@H+](Cc4ccccn4)C3)nn2)cs1 ZINC000023337240 1291234947 /nfs/dbraw/zinc/23/49/47/1291234947.db2.gz NJEVLVSLFCHTRR-HNNXBMFYSA-N 1 1 339.468 3.314 50 0 EGAAMO CC(C)CC[N@H+]1CCN(Cc2nc3ccccc3s2)C[C@H]1CCO ZINC000036385736 1291396746 /nfs/dbraw/zinc/39/67/46/1291396746.db2.gz AUSXQTVJSKTVIH-MRXNPFEDSA-N 1 1 347.528 3.211 50 0 EGAAMO CC[C@H]1CCC[N@@H+](Cc2ccc(OC)c(Cn3cncn3)c2)CC1 ZINC000952982989 1334629815 /nfs/dbraw/zinc/62/98/15/1334629815.db2.gz NRLJOYSVMVGHIV-INIZCTEOSA-N 1 1 328.460 3.347 50 0 EGAAMO CC(=O)c1cc(C[N@H+]2CCC[C@@H](c3nc(CC(C)C)no3)C2)n(C)c1 ZINC000952982155 1334630112 /nfs/dbraw/zinc/63/01/12/1334630112.db2.gz ZNULYLQOXQVBEX-OAHLLOKOSA-N 1 1 344.459 3.189 50 0 EGAAMO CC(=O)c1cc(C[N@@H+]2CCC[C@@H](c3nc(CC(C)C)no3)C2)n(C)c1 ZINC000952982155 1334630118 /nfs/dbraw/zinc/63/01/18/1334630118.db2.gz ZNULYLQOXQVBEX-OAHLLOKOSA-N 1 1 344.459 3.189 50 0 EGAAMO CCc1ncnc(N[C@@H]2CCC[N@H+](Cc3ccccc3F)C2)c1F ZINC000952989287 1334631114 /nfs/dbraw/zinc/63/11/14/1334631114.db2.gz VUIQTQXDCVXFBS-CQSZACIVSA-N 1 1 332.398 3.394 50 0 EGAAMO CCc1ncnc(N[C@@H]2CCC[N@@H+](Cc3ccccc3F)C2)c1F ZINC000952989287 1334631116 /nfs/dbraw/zinc/63/11/16/1334631116.db2.gz VUIQTQXDCVXFBS-CQSZACIVSA-N 1 1 332.398 3.394 50 0 EGAAMO C[C@@H](C(=O)Nc1cccc(C[NH+]2CCCCC2)c1)N1CCCCC1 ZINC000952988427 1334631592 /nfs/dbraw/zinc/63/15/92/1334631592.db2.gz NYXFKLQIYNXKQM-KRWDZBQOSA-N 1 1 329.488 3.485 50 0 EGAAMO C[N@H+](Cc1nnc(-c2cccnc2)o1)C[C@@H]1CCN(c2ccccc2)C1 ZINC001704349776 1416452648 /nfs/dbraw/zinc/45/26/48/1416452648.db2.gz WOLHIJFFZCFOMH-INIZCTEOSA-N 1 1 349.438 3.090 50 0 EGAAMO Cn1ccc(C2CC[NH+](Cc3c(F)ccc(F)c3F)CC2)cc1=O ZINC001772811545 1441417547 /nfs/dbraw/zinc/41/75/47/1441417547.db2.gz YQEBHQRBJKDMGP-UHFFFAOYSA-N 1 1 336.357 3.182 50 0 EGAAMO Cc1cc(C(=O)NCC[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc(C)n1 ZINC000097632193 219042682 /nfs/dbraw/zinc/04/26/82/219042682.db2.gz LQWQNJFBKXWTKY-IBGZPJMESA-N 1 1 337.467 3.340 50 0 EGAAMO Cc1[nH+]ccn1CC1CCN(c2ncnc3cccc(F)c32)CC1 ZINC000091859720 282203161 /nfs/dbraw/zinc/20/31/61/282203161.db2.gz RYBWZJWLMFAZBM-UHFFFAOYSA-N 1 1 325.391 3.190 50 0 EGAAMO CN(CCc1ccncc1)C(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000174332889 529937010 /nfs/dbraw/zinc/93/70/10/529937010.db2.gz GKWKXLVWKHQYIW-HXUWFJFHSA-N 1 1 337.467 3.137 50 0 EGAAMO CCCCOc1ccc(NC2=[NH+]C3(CCCCC3)NC(=N)N2)cc1 ZINC000004140309 210130476 /nfs/dbraw/zinc/13/04/76/210130476.db2.gz XNMRIEZMIYTDHV-UHFFFAOYSA-N 1 1 329.448 3.212 50 0 EGAAMO Cc1cc(C)c(CN2C[C@H]3CC[C@@H](C2)[C@H]3[NH+](C)C)c(-n2cccn2)c1 ZINC000102717911 219224734 /nfs/dbraw/zinc/22/47/34/219224734.db2.gz YWJBRAAXFFYFHY-WGMWDUQUSA-N 1 1 338.499 3.261 50 0 EGAAMO Cc1noc(C)c1C(=O)NC[C@@H]1CC[N@@H+](Cc2ccc(C)c(C)c2)C1 ZINC000067654123 215175613 /nfs/dbraw/zinc/17/56/13/215175613.db2.gz WJSPMKNYDYAANQ-SFHVURJKSA-N 1 1 341.455 3.160 50 0 EGAAMO Cc1ccccc1-c1noc(CNC2CCC3(CC[NH2+]CC3)CC2)n1 ZINC000067818434 215219091 /nfs/dbraw/zinc/21/90/91/215219091.db2.gz SLIPITWGZAZULM-UHFFFAOYSA-N 1 1 340.471 3.447 50 0 EGAAMO O=C(c1ccccn1)[C@@H]1CCC[N@@H+](Cc2ccc(-n3ccnc3)cc2)C1 ZINC000067817340 215219967 /nfs/dbraw/zinc/21/99/67/215219967.db2.gz PDDYYZZCYQATJE-GOSISDBHSA-N 1 1 346.434 3.362 50 0 EGAAMO CCCC[N@@H+](C)C[C@@]1(O)CCCN(Cc2ccc(C(C)C)cc2)C1=O ZINC000067840308 215225852 /nfs/dbraw/zinc/22/58/52/215225852.db2.gz CQWKWDBVDFANST-NRFANRHFSA-N 1 1 346.515 3.395 50 0 EGAAMO Cc1c2ccccc2[nH]c1C(=O)NC[C@H]1CC[N@@H+](Cc2ccco2)C1 ZINC000067849869 215230041 /nfs/dbraw/zinc/23/00/41/215230041.db2.gz UVRZGKSXAGFBBD-OAHLLOKOSA-N 1 1 337.423 3.321 50 0 EGAAMO CSc1cccc(CN2CC[N@@H+](CC(C)(C)C)[C@H](CCO)C2)c1 ZINC000104359647 219378950 /nfs/dbraw/zinc/37/89/50/219378950.db2.gz DYLDHMJWIRYKAP-QGZVFWFLSA-N 1 1 336.545 3.323 50 0 EGAAMO CCc1ccc(CN2CC[N@@H+](Cc3cccs3)[C@H](CCO)C2)cc1 ZINC000039442328 213235975 /nfs/dbraw/zinc/23/59/75/213235975.db2.gz OVXLVZREIGGUNG-LJQANCHMSA-N 1 1 344.524 3.379 50 0 EGAAMO CCc1ccc(C[N@@H+]2CCN(Cc3cccs3)[C@H](CCO)C2)cc1 ZINC000039442328 213235986 /nfs/dbraw/zinc/23/59/86/213235986.db2.gz OVXLVZREIGGUNG-LJQANCHMSA-N 1 1 344.524 3.379 50 0 EGAAMO CCc1ccc(C[N@H+]2CCN(Cc3cccs3)[C@H](CCO)C2)cc1 ZINC000039442328 213235991 /nfs/dbraw/zinc/23/59/91/213235991.db2.gz OVXLVZREIGGUNG-LJQANCHMSA-N 1 1 344.524 3.379 50 0 EGAAMO CN(C(=O)NCc1ccco1)[C@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000072129379 216018920 /nfs/dbraw/zinc/01/89/20/216018920.db2.gz IRQGUQDMNCDIFH-INIZCTEOSA-N 1 1 345.418 3.225 50 0 EGAAMO CN(C(=O)NCc1ccco1)[C@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000072129379 216018923 /nfs/dbraw/zinc/01/89/23/216018923.db2.gz IRQGUQDMNCDIFH-INIZCTEOSA-N 1 1 345.418 3.225 50 0 EGAAMO CCCn1ncc(C[N@H+]2CCCN(Cc3ccccc3F)CC2)c1C ZINC000072129100 216019018 /nfs/dbraw/zinc/01/90/18/216019018.db2.gz YZDSJNLXHDESHX-UHFFFAOYSA-N 1 1 344.478 3.449 50 0 EGAAMO CCCn1ncc(CN2CCC[N@H+](Cc3ccccc3F)CC2)c1C ZINC000072129100 216019022 /nfs/dbraw/zinc/01/90/22/216019022.db2.gz YZDSJNLXHDESHX-UHFFFAOYSA-N 1 1 344.478 3.449 50 0 EGAAMO CCCn1ncc(CN2CCC[N@@H+](Cc3ccccc3F)CC2)c1C ZINC000072129100 216019024 /nfs/dbraw/zinc/01/90/24/216019024.db2.gz YZDSJNLXHDESHX-UHFFFAOYSA-N 1 1 344.478 3.449 50 0 EGAAMO Fc1ccc(CN2CCC[N@@H+](Cc3cccc4nonc43)CC2)cc1 ZINC000072127428 216018078 /nfs/dbraw/zinc/01/80/78/216018078.db2.gz UCZTVUWEJNKBCD-UHFFFAOYSA-N 1 1 340.402 3.070 50 0 EGAAMO Fc1ccc(C[N@@H+]2CCCN(Cc3cccc4nonc43)CC2)cc1 ZINC000072127428 216018079 /nfs/dbraw/zinc/01/80/79/216018079.db2.gz UCZTVUWEJNKBCD-UHFFFAOYSA-N 1 1 340.402 3.070 50 0 EGAAMO Fc1ccc(C[N@H+]2CCCN(Cc3cccc4nonc43)CC2)cc1 ZINC000072127428 216018080 /nfs/dbraw/zinc/01/80/80/216018080.db2.gz UCZTVUWEJNKBCD-UHFFFAOYSA-N 1 1 340.402 3.070 50 0 EGAAMO O=C(CC[N@H+]1CCC[C@@H]1c1ccccn1)N1CCc2ccccc2C1 ZINC000072137424 216025376 /nfs/dbraw/zinc/02/53/76/216025376.db2.gz YWGQDASFOJOXLU-HXUWFJFHSA-N 1 1 335.451 3.194 50 0 EGAAMO CCN(CC)C(=O)C[N@H+]1CCC[C@@H](CCc2c(F)cccc2F)C1 ZINC000072146205 216032342 /nfs/dbraw/zinc/03/23/42/216032342.db2.gz XQAYOFYSSOJVKO-HNNXBMFYSA-N 1 1 338.442 3.478 50 0 EGAAMO CNS(=O)(=O)c1ccc(C[N@@H+]2CCC[C@H]2c2ccc(F)cc2)cc1 ZINC000072141937 216028093 /nfs/dbraw/zinc/02/80/93/216028093.db2.gz FKVJUHBNFMYMJQ-SFHVURJKSA-N 1 1 348.443 3.071 50 0 EGAAMO CNS(=O)(=O)c1ccc(C[N@H+]2CCC[C@H]2c2ccc(F)cc2)cc1 ZINC000072141937 216028095 /nfs/dbraw/zinc/02/80/95/216028095.db2.gz FKVJUHBNFMYMJQ-SFHVURJKSA-N 1 1 348.443 3.071 50 0 EGAAMO COc1ccccc1[C@H]1C[N@@H+](Cc2ccncc2)[C@H]2[C@@H]1N1CCC2CC1 ZINC000072164558 216053203 /nfs/dbraw/zinc/05/32/03/216053203.db2.gz KVVFMQHHVSFZNZ-CEMLEFRQSA-N 1 1 349.478 3.152 50 0 EGAAMO COc1ccccc1[C@H]1CN(Cc2ccncc2)[C@H]2[C@@H]1[NH+]1CCC2CC1 ZINC000072164558 216053205 /nfs/dbraw/zinc/05/32/05/216053205.db2.gz KVVFMQHHVSFZNZ-CEMLEFRQSA-N 1 1 349.478 3.152 50 0 EGAAMO CCCC[C@@H](C(=O)Nc1cc(C)on1)[N@@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000072270668 216093923 /nfs/dbraw/zinc/09/39/23/216093923.db2.gz CXZMJKHBQGXCOU-HOCLYGCPSA-N 1 1 345.447 3.083 50 0 EGAAMO CCCC[C@@H](C(=O)Nc1cc(C)on1)[N@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000072270668 216093926 /nfs/dbraw/zinc/09/39/26/216093926.db2.gz CXZMJKHBQGXCOU-HOCLYGCPSA-N 1 1 345.447 3.083 50 0 EGAAMO Cn1c(CN2CCCCC2)nnc1[C@@H]1CCC[N@@H+](CC(C)(C)C)C1 ZINC000072407152 216198702 /nfs/dbraw/zinc/19/87/02/216198702.db2.gz OEGHRTFGFUAUPL-MRXNPFEDSA-N 1 1 333.524 3.027 50 0 EGAAMO Cc1c(C[N@H+]2CCCC23CCN(c2cccc(C)n2)CC3)cnn1C ZINC000072412506 216205252 /nfs/dbraw/zinc/20/52/52/216205252.db2.gz SRMUBADHMZLVQL-UHFFFAOYSA-N 1 1 339.487 3.067 50 0 EGAAMO CSc1cccc(CN2CCC([N@H+]3CCC[C@H](CO)C3)CC2)c1 ZINC000215123676 241106932 /nfs/dbraw/zinc/10/69/32/241106932.db2.gz ROQLEUZUMZCZGN-KRWDZBQOSA-N 1 1 334.529 3.077 50 0 EGAAMO CSc1ncc(C[N@H+](C)[C@@H](C)c2ccc3c(c2)OCCO3)cn1 ZINC000215260742 241115229 /nfs/dbraw/zinc/11/52/29/241115229.db2.gz CTCHXUFWNNEHHF-LBPRGKRZSA-N 1 1 331.441 3.163 50 0 EGAAMO CSc1ncc(C[N@@H+](C)[C@@H](C)c2ccc3c(c2)OCCO3)cn1 ZINC000215260742 241115233 /nfs/dbraw/zinc/11/52/33/241115233.db2.gz CTCHXUFWNNEHHF-LBPRGKRZSA-N 1 1 331.441 3.163 50 0 EGAAMO C[N@H+](Cc1ccc(S(C)(=O)=O)cc1)Cc1cccc2ncccc12 ZINC000215849370 241150661 /nfs/dbraw/zinc/15/06/61/241150661.db2.gz RFAOTWOSYQNXEA-UHFFFAOYSA-N 1 1 340.448 3.270 50 0 EGAAMO C[N@@H+](Cc1ccc(S(C)(=O)=O)cc1)Cc1cccc2ncccc12 ZINC000215849370 241150669 /nfs/dbraw/zinc/15/06/69/241150669.db2.gz RFAOTWOSYQNXEA-UHFFFAOYSA-N 1 1 340.448 3.270 50 0 EGAAMO CCOc1ccc(C[N@H+]2CCCN(c3ccc(F)cc3)CC2)cn1 ZINC000216084560 241162056 /nfs/dbraw/zinc/16/20/56/241162056.db2.gz JFFAQNFHJWZHFU-UHFFFAOYSA-N 1 1 329.419 3.332 50 0 EGAAMO CC(=O)Nc1ccc(C[N@H+]2CCC[C@H](OCc3cccnc3)C2)cc1 ZINC000216487071 241194970 /nfs/dbraw/zinc/19/49/70/241194970.db2.gz PQBNXONUCREODU-FQEVSTJZSA-N 1 1 339.439 3.221 50 0 EGAAMO COc1ccc(C[N@H+]2CCCN(Cc3ccccn3)CC2)c(C)c1C ZINC000215519549 241131960 /nfs/dbraw/zinc/13/19/60/241131960.db2.gz RKNZBNFAXMOMMD-UHFFFAOYSA-N 1 1 339.483 3.415 50 0 EGAAMO C[NH+]1CCN(Cc2ccccc2C(=O)c2ccc(Cl)cc2)CC1 ZINC000022028172 212271735 /nfs/dbraw/zinc/27/17/35/212271735.db2.gz FJOHVYZXHYUEEX-UHFFFAOYSA-N 1 1 328.843 3.318 50 0 EGAAMO CSc1ccc(CN2CC[N@@H+](CCC(C)C)[C@@H](CCO)C2)cc1 ZINC000020993043 212194760 /nfs/dbraw/zinc/19/47/60/212194760.db2.gz BRSPYIHZWZIYSG-SFHVURJKSA-N 1 1 336.545 3.323 50 0 EGAAMO Cn1c2ccccc2nc1[C@@H]1CCC[N@H+]1CCC(=O)Nc1cccnc1 ZINC000244690915 243057584 /nfs/dbraw/zinc/05/75/84/243057584.db2.gz IZIIKWZISMOQBO-SFHVURJKSA-N 1 1 349.438 3.134 50 0 EGAAMO Cc1n[nH]c(C)c1CC[N@@H+](C)CCC(=O)Nc1ccc(C)c(C)c1 ZINC000244778750 243078737 /nfs/dbraw/zinc/07/87/37/243078737.db2.gz PVWNMPLYCJFATM-UHFFFAOYSA-N 1 1 328.460 3.146 50 0 EGAAMO CCc1nccn1CC[N@H+]1CCC[C@H](COc2ccccc2F)C1 ZINC000244773872 243079597 /nfs/dbraw/zinc/07/95/97/243079597.db2.gz PIEKXTYNQUUZFD-INIZCTEOSA-N 1 1 331.435 3.376 50 0 EGAAMO CCOc1ccc(CN2CC[N@@H+](CC(C)(C)C)C[C@@H]2CCO)cc1 ZINC000020539119 212146111 /nfs/dbraw/zinc/14/61/11/212146111.db2.gz UOFRSORMUOCZPZ-SFHVURJKSA-N 1 1 334.504 3.000 50 0 EGAAMO OCC[C@H]1CN(Cc2cccc3cnccc32)CC[N@H+]1C1CCCC1 ZINC000020540718 212145820 /nfs/dbraw/zinc/14/58/20/212145820.db2.gz SPDYTIXLAOAVRK-FQEVSTJZSA-N 1 1 339.483 3.046 50 0 EGAAMO CCc1nc2ccccc2n1CCC[N@H+]1CCC[C@@H](C(C)(C)O)C1 ZINC000020537806 212144294 /nfs/dbraw/zinc/14/42/94/212144294.db2.gz VGEDPEOAXGIRAG-MRXNPFEDSA-N 1 1 329.488 3.472 50 0 EGAAMO O=C1C[C@@H]([NH+]2CCCC2)C(=O)N1c1ccc(Oc2ccccc2)cc1 ZINC000020271167 212115374 /nfs/dbraw/zinc/11/53/74/212115374.db2.gz CYDGDNFRIYVXPR-GOSISDBHSA-N 1 1 336.391 3.207 50 0 EGAAMO Cc1ccc(OCC(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1C ZINC000020254802 212114676 /nfs/dbraw/zinc/11/46/76/212114676.db2.gz NJBYRNZUBXASCP-UHFFFAOYSA-N 1 1 338.451 3.027 50 0 EGAAMO CCOC(=O)[C@@H](c1ccccc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020246698 212114542 /nfs/dbraw/zinc/11/45/42/212114542.db2.gz MTPIBXSABLGXRQ-HXUWFJFHSA-N 1 1 338.451 3.109 50 0 EGAAMO CCn1ccnc1CN(C)[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000020149182 212106856 /nfs/dbraw/zinc/10/68/56/212106856.db2.gz CHYHXNVGQHSKEH-QGZVFWFLSA-N 1 1 330.451 3.139 50 0 EGAAMO CSc1ccc(C[NH+]2CCC(N3C[C@H](C)O[C@@H](C)C3)CC2)cc1 ZINC000019885204 212080104 /nfs/dbraw/zinc/08/01/04/212080104.db2.gz QYXUAMJTHQYQLW-HOTGVXAUSA-N 1 1 334.529 3.482 50 0 EGAAMO O=C(NCCC[NH+]1CCOCC1)c1sc2ccccc2c1Cl ZINC000019375990 212024102 /nfs/dbraw/zinc/02/41/02/212024102.db2.gz XUMGFEJJNWODCO-UHFFFAOYSA-N 1 1 338.860 3.007 50 0 EGAAMO Cn1cc(CC[N@@H+](C)Cc2cn(C)nc2-c2cccc(Cl)c2)cn1 ZINC000019220961 212006257 /nfs/dbraw/zinc/00/62/57/212006257.db2.gz GOAKWBUJKREFNE-UHFFFAOYSA-N 1 1 343.862 3.149 50 0 EGAAMO Cn1c(C(=O)NC[C@@H]2CCC[N@H+]3CCCC[C@H]23)cc2ccccc21 ZINC000079190278 217199924 /nfs/dbraw/zinc/19/99/24/217199924.db2.gz LGUQKRMIUZKWKL-FUHWJXTLSA-N 1 1 325.456 3.173 50 0 biogenic EGAAMO Cn1cc(C(=O)NC[C@@H]2CCC[N@H+]3CCCC[C@H]23)c2ccccc21 ZINC000079191030 217200144 /nfs/dbraw/zinc/20/01/44/217200144.db2.gz NMAOABNYFXQXKE-MAUKXSAKSA-N 1 1 325.456 3.173 50 0 biogenic EGAAMO CCOC(=O)[C@H]1CCC[N@@H+](Cc2cn(C)nc2-c2ccccc2F)C1 ZINC000012459309 211389004 /nfs/dbraw/zinc/38/90/04/211389004.db2.gz LWNBQAGVUMXSAN-AWEZNQCLSA-N 1 1 345.418 3.001 50 0 EGAAMO CCn1cc(C[N@@H+]2CCC[C@@H](C(=O)c3cccc(OC)c3)C2)cn1 ZINC000012209020 211321015 /nfs/dbraw/zinc/32/10/15/211321015.db2.gz ZJUSJKNBKOZNND-QGZVFWFLSA-N 1 1 327.428 3.007 50 0 EGAAMO CCn1cc(C[N@H+]2CCC[C@@H](C(=O)c3cccc(OC)c3)C2)cn1 ZINC000012209020 211321017 /nfs/dbraw/zinc/32/10/17/211321017.db2.gz ZJUSJKNBKOZNND-QGZVFWFLSA-N 1 1 327.428 3.007 50 0 EGAAMO c1ccc(CCc2nnc3n2CC[N@H+](C[C@H]2CC=CCC2)CC3)cc1 ZINC000011842130 211255858 /nfs/dbraw/zinc/25/58/58/211255858.db2.gz HXRBBISUTIYSEO-IBGZPJMESA-N 1 1 336.483 3.278 50 0 EGAAMO O=C(NC1CC1)[C@H]1CCCN(C2CC[NH+](C3CCCCCC3)CC2)C1 ZINC000011817884 211250137 /nfs/dbraw/zinc/25/01/37/211250137.db2.gz VCBQUWVOBWXPCG-KRWDZBQOSA-N 1 1 347.547 3.164 50 0 EGAAMO CC(C)=CC[N@H+]1C[C@H]2CC[C@@H]1CN(C(=O)Cc1sc(C)nc1C)C2 ZINC000091644728 218038017 /nfs/dbraw/zinc/03/80/17/218038017.db2.gz XINMGUNGHNKMLI-IAGOWNOFSA-N 1 1 347.528 3.191 50 0 EGAAMO c1ccc(C[N@H+]2C[C@@H]3CC[C@H](C2)N(Cc2nnc(C4CC4)o2)C3)cc1 ZINC000091650244 218040029 /nfs/dbraw/zinc/04/00/29/218040029.db2.gz MCPSTNXDJJLRKC-FUHWJXTLSA-N 1 1 338.455 3.043 50 0 EGAAMO Cc1nccn1-c1ccc(CNC(=O)CC[C@H]2CCCC[N@@H+]2C)cc1 ZINC000095375751 218309068 /nfs/dbraw/zinc/30/90/68/218309068.db2.gz VTWFZNJUDQHZLR-GOSISDBHSA-N 1 1 340.471 3.061 50 0 EGAAMO CCC[N@H+]1C[C@H]2CC[C@@H]1CN(Cc1cc(F)ccc1-n1cccn1)C2 ZINC000095388682 218320375 /nfs/dbraw/zinc/32/03/75/218320375.db2.gz QYYGLFWHRRNROP-QFBILLFUSA-N 1 1 342.462 3.318 50 0 EGAAMO CCCN1C[C@H]2CC[C@@H]1C[N@H+](Cc1cc(F)ccc1-n1cccn1)C2 ZINC000095388682 218320378 /nfs/dbraw/zinc/32/03/78/218320378.db2.gz QYYGLFWHRRNROP-QFBILLFUSA-N 1 1 342.462 3.318 50 0 EGAAMO CCCN1C[C@H]2CC[C@@H]1C[N@@H+](Cc1cc(F)ccc1-n1cccn1)C2 ZINC000095388682 218320382 /nfs/dbraw/zinc/32/03/82/218320382.db2.gz QYYGLFWHRRNROP-QFBILLFUSA-N 1 1 342.462 3.318 50 0 EGAAMO CSc1ccccc1C(=O)[C@@H]1CCCN(c2cc(N)nc(C)[nH+]2)C1 ZINC000095389058 218320429 /nfs/dbraw/zinc/32/04/29/218320429.db2.gz QQSQPKXYTHQMCT-CYBMUJFWSA-N 1 1 342.468 3.188 50 0 EGAAMO Cn1nc(CNC(=O)CC[C@H]2CCCC[N@H+]2C)c2c1cccc2Cl ZINC000095385574 218317012 /nfs/dbraw/zinc/31/70/12/218317012.db2.gz HOMFONZNNLDCDY-CYBMUJFWSA-N 1 1 348.878 3.107 50 0 EGAAMO C[NH+]1CCN(C(=S)c2cccc(OCc3ccccc3)c2)CC1 ZINC000004855746 210301883 /nfs/dbraw/zinc/30/18/83/210301883.db2.gz UEKFWPQWXMCVED-UHFFFAOYSA-N 1 1 326.465 3.189 50 0 EGAAMO Cc1[nH+]ccn1CC1(CNC(=O)c2c[nH]nc2C2CCCCC2)CC1 ZINC000097474942 219028370 /nfs/dbraw/zinc/02/83/70/219028370.db2.gz LAFWTKDSTJPHJM-UHFFFAOYSA-N 1 1 341.459 3.173 50 0 EGAAMO Cc1n[nH]c(CN2C[C@@H]3CC[C@H]2C[N@@H+](Cc2ccccc2)C3)c1Cl ZINC000097601046 219039611 /nfs/dbraw/zinc/03/96/11/219039611.db2.gz VGDRMORQVRDTDX-SJORKVTESA-N 1 1 344.890 3.468 50 0 EGAAMO O=C([C@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCc2ccccc2C1 ZINC000004746156 210269139 /nfs/dbraw/zinc/26/91/39/210269139.db2.gz CCDISHCCSBCXAE-NRFANRHFSA-N 1 1 334.463 3.484 50 0 EGAAMO CCc1ccccc1OCCN(C)C(=O)NC[C@@H]1CCCC[N@@H+]1CC ZINC000426429858 257968464 /nfs/dbraw/zinc/96/84/64/257968464.db2.gz SLBHIMLFDJAGPV-SFHVURJKSA-N 1 1 347.503 3.144 50 0 EGAAMO Cc1cnn(Cc2nc([C@H]3C[C@@H](c4ccccc4)[N@H+]4CCC[C@H]34)no2)c1 ZINC000299780899 258089327 /nfs/dbraw/zinc/08/93/27/258089327.db2.gz CTYMQYXITXJZMV-KSZLIROESA-N 1 1 349.438 3.316 50 0 EGAAMO Cn1cc(Cl)cc1C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000299788170 258094266 /nfs/dbraw/zinc/09/42/66/258094266.db2.gz QOVKUWSVNSCQKC-OAHLLOKOSA-N 1 1 349.837 3.212 50 0 EGAAMO Cn1cc(Cl)cc1C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000299788170 258094267 /nfs/dbraw/zinc/09/42/67/258094267.db2.gz QOVKUWSVNSCQKC-OAHLLOKOSA-N 1 1 349.837 3.212 50 0 EGAAMO Cn1cc(Cl)cc1C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000299788167 258094351 /nfs/dbraw/zinc/09/43/51/258094351.db2.gz QOVKUWSVNSCQKC-HNNXBMFYSA-N 1 1 349.837 3.212 50 0 EGAAMO Cn1cc(Cl)cc1C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000299788167 258094352 /nfs/dbraw/zinc/09/43/52/258094352.db2.gz QOVKUWSVNSCQKC-HNNXBMFYSA-N 1 1 349.837 3.212 50 0 EGAAMO Cn1ccc(-c2nc([C@H]3C[C@@H](c4ccccc4)[N@H+]4CCC[C@H]34)no2)n1 ZINC000299794267 258099404 /nfs/dbraw/zinc/09/94/04/258099404.db2.gz IMAOUTKPEKYPGO-UAGQMJEPSA-N 1 1 335.411 3.163 50 0 EGAAMO C[NH+](C)C1(c2nnnn2-c2cccc(C(F)(F)F)c2)CCCCC1 ZINC000004551753 258051056 /nfs/dbraw/zinc/05/10/56/258051056.db2.gz SITGOWOWQJOJKP-UHFFFAOYSA-N 1 1 339.365 3.402 50 0 EGAAMO Cc1ccccc1[C@H]1CC[N@H+](CCNC(=O)c2cc(Cl)cn2C)C1 ZINC000299756393 258075062 /nfs/dbraw/zinc/07/50/62/258075062.db2.gz HUBOLPPZKISNBY-HNNXBMFYSA-N 1 1 345.874 3.206 50 0 EGAAMO COc1ccccc1/C=C/C[N@@H+]1CC[C@]2(OC)CC[C@H](OC)C[C@H]12 ZINC000299767100 258081493 /nfs/dbraw/zinc/08/14/93/258081493.db2.gz CMXOPNAJWQKWRE-XVHGGAPTSA-N 1 1 331.456 3.367 50 0 EGAAMO COc1c2c(cc3c1[C@@H](C[C@@H](O)c1ccccc1)[N@@H+](C)CC3)OCO2 ZINC000012660538 286188598 /nfs/dbraw/zinc/18/85/98/286188598.db2.gz VUJZEAKYGMRHEZ-HZPDHXFCSA-N 1 1 341.407 3.077 50 0 biogenic EGAAMO COc1ccc(-n2nnnc2C2([NH2+]Cc3ccccc3)CCCC2)cc1 ZINC000035622541 286266120 /nfs/dbraw/zinc/26/61/20/286266120.db2.gz KAEJCXMMVSLDJI-UHFFFAOYSA-N 1 1 349.438 3.230 50 0 EGAAMO COc1cc(NC(=O)CC[N@H+]2CCc3ccccc3C2)cc(OC)c1 ZINC000000256829 452548404 /nfs/dbraw/zinc/54/84/04/452548404.db2.gz KNVSBTYKAKVYIE-UHFFFAOYSA-N 1 1 340.423 3.091 50 0 EGAAMO Cc1cc(C)cc(N2C(=[NH2+])NC(=N)N[C@H]2c2cccc(Cl)c2)c1 ZINC000006785881 452987704 /nfs/dbraw/zinc/98/77/04/452987704.db2.gz KAWRECNOSIGRKM-OAHLLOKOSA-N 1 1 327.819 3.105 50 0 EGAAMO O=C(c1cccnc1)N1CC[C@@]2(C1)CCC[N@@H+](CCc1ccccc1)C2 ZINC000012588833 453379441 /nfs/dbraw/zinc/37/94/41/453379441.db2.gz UXWLLNWAGKIWDS-QFIPXVFZSA-N 1 1 349.478 3.252 50 0 EGAAMO COC[C@H]1CC[N@@H+](Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)C1 ZINC000012761593 453400372 /nfs/dbraw/zinc/40/03/72/453400372.db2.gz WZPHZDSSMPKPNE-NSHDSACASA-N 1 1 341.333 3.224 50 0 EGAAMO COc1cccc(-c2nn(-c3ccccc3)cc2C[N@H+]2CC[C@@H](O)C2)c1 ZINC000014957985 453549242 /nfs/dbraw/zinc/54/92/42/453549242.db2.gz UXBAGTOJJWMSPV-LJQANCHMSA-N 1 1 349.434 3.115 50 0 EGAAMO O=C(CC[C@H]1CCC[N@@H+](Cc2cccc3c2OCO3)C1)N1CCCC1 ZINC000014953716 453549478 /nfs/dbraw/zinc/54/94/78/453549478.db2.gz JYCYIRIQAVIXMQ-MRXNPFEDSA-N 1 1 344.455 3.030 50 0 EGAAMO Cc1ccc([C@@H](CNC(=O)c2ccc(OC(C)C)cc2)[NH+](C)C)o1 ZINC000015860125 453587797 /nfs/dbraw/zinc/58/77/97/453587797.db2.gz DZECDWQWMDQENE-QGZVFWFLSA-N 1 1 330.428 3.408 50 0 EGAAMO Cc1cnc(CN2C[C@]3(CCC[N@H+](CCC(C)C)C3)CCC2=O)cn1 ZINC000077285056 454085589 /nfs/dbraw/zinc/08/55/89/454085589.db2.gz BABQATOKGBUYGF-HXUWFJFHSA-N 1 1 344.503 3.036 50 0 EGAAMO CC(=O)NCC[C@H]1CCCC[N@@H+]1Cc1cc2cc(F)ccc2n1C ZINC000077287841 454086385 /nfs/dbraw/zinc/08/63/85/454086385.db2.gz AIQMGPWVZLMJOB-QGZVFWFLSA-N 1 1 331.435 3.198 50 0 EGAAMO COCCC[C@H]1CCC[N@@H+](Cc2cnc(-c3ccccn3)nc2)C1 ZINC000077301488 454087394 /nfs/dbraw/zinc/08/73/94/454087394.db2.gz QHSPRAFNDJSSQY-MRXNPFEDSA-N 1 1 326.444 3.177 50 0 EGAAMO CC(C)Cc1cc(C(=O)N(C)C[C@H]2Cc3ccccc3C[N@@H+]2C)on1 ZINC000077298131 454087703 /nfs/dbraw/zinc/08/77/03/454087703.db2.gz UWWCDQVOWKVJGQ-GOSISDBHSA-N 1 1 341.455 3.002 50 0 EGAAMO CC(C)Cc1cc(C(=O)N(C)C[C@H]2Cc3ccccc3C[N@H+]2C)on1 ZINC000077298131 454087707 /nfs/dbraw/zinc/08/77/07/454087707.db2.gz UWWCDQVOWKVJGQ-GOSISDBHSA-N 1 1 341.455 3.002 50 0 EGAAMO Cn1ccnc1CC[C@@H]1CCCC[N@H+]1Cc1nc(-c2ccco2)no1 ZINC000077408458 454102545 /nfs/dbraw/zinc/10/25/45/454102545.db2.gz AEBJMUIKYHZSOT-AWEZNQCLSA-N 1 1 341.415 3.050 50 0 EGAAMO COCc1ccc(C(=O)N2CCC[N@@H+](CC3CC3)[C@H](C(C)C)C2)o1 ZINC000071404059 454206081 /nfs/dbraw/zinc/20/60/81/454206081.db2.gz GFLQZNAKDRAPAH-KRWDZBQOSA-N 1 1 334.460 3.009 50 0 EGAAMO CC(C)[C@@H]1CN(C(=O)c2ccc3[nH]cnc3c2)CCC[N@H+]1CC1CC1 ZINC000071756939 454214183 /nfs/dbraw/zinc/21/41/83/454214183.db2.gz NMAYFEYLGVKUKA-IBGZPJMESA-N 1 1 340.471 3.145 50 0 EGAAMO NC(=O)CC[N@H+]1CCC[C@H](C(=O)c2ccc(-c3ccccc3)cc2)C1 ZINC000071760437 454215283 /nfs/dbraw/zinc/21/52/83/454215283.db2.gz YIIXVKWBAIKRQB-IBGZPJMESA-N 1 1 336.435 3.124 50 0 EGAAMO C[N@H+]1CCC[C@@H]1CCNC(=O)Nc1ccc(Oc2cccnc2)cc1 ZINC000095523952 454227921 /nfs/dbraw/zinc/22/79/21/454227921.db2.gz WWJWVOCXRWDRJC-MRXNPFEDSA-N 1 1 340.427 3.480 50 0 EGAAMO O=S1(=O)C[C@@](c2ccccc2)([NH+]2CCCC2)[C@H]1c1ccccc1 ZINC000095891446 454232306 /nfs/dbraw/zinc/23/23/06/454232306.db2.gz OPHJQSOZJCCVLO-MOPGFXCFSA-N 1 1 327.449 3.147 50 0 EGAAMO O=C(NC[C@H]1CCC[N@H+]2CCCC[C@H]12)c1cc(-c2ccccc2)n[nH]1 ZINC000096125616 454289402 /nfs/dbraw/zinc/28/94/02/454289402.db2.gz CBTDZZQHBUWVLX-VQIMIIECSA-N 1 1 338.455 3.071 50 0 EGAAMO CCN1CCC([NH2+]Cc2cn(C)nc2-c2cc3ccccc3o2)CC1 ZINC000097159726 454418013 /nfs/dbraw/zinc/41/80/13/454418013.db2.gz CUPRILWLEMWMFE-UHFFFAOYSA-N 1 1 338.455 3.407 50 0 EGAAMO CC[NH+]1CCC(NCc2cn(C)nc2-c2cc3ccccc3o2)CC1 ZINC000097159726 454418020 /nfs/dbraw/zinc/41/80/20/454418020.db2.gz CUPRILWLEMWMFE-UHFFFAOYSA-N 1 1 338.455 3.407 50 0 EGAAMO Cc1ccc(NC[C@@H]2CC[N@H+](Cc3nc4ccccc4n3C)C2)nc1 ZINC000097200535 454422954 /nfs/dbraw/zinc/42/29/54/454422954.db2.gz SWFNFRWATQZJEN-INIZCTEOSA-N 1 1 335.455 3.211 50 0 EGAAMO Cc1ccc(NC[C@H]2CC[N@H+](Cc3nc(-c4ccccc4)no3)C2)nc1 ZINC000097200764 454423132 /nfs/dbraw/zinc/42/31/32/454423132.db2.gz ATXOQSVETBCFET-MRXNPFEDSA-N 1 1 349.438 3.374 50 0 EGAAMO Cc1ccc(NC[C@H]2CC[N@@H+](Cc3nc(-c4ccccc4)no3)C2)nc1 ZINC000097200764 454423138 /nfs/dbraw/zinc/42/31/38/454423138.db2.gz ATXOQSVETBCFET-MRXNPFEDSA-N 1 1 349.438 3.374 50 0 EGAAMO CCc1nc(C)c(C(=O)NCC[N@H+]2CC[C@H](c3ccccc3C)C2)o1 ZINC000065457108 454570092 /nfs/dbraw/zinc/57/00/92/454570092.db2.gz OWMCZZMIQIAMRS-INIZCTEOSA-N 1 1 341.455 3.073 50 0 EGAAMO OCC[N@@H+](Cc1cncn1C1CC1)CC12CC3CC(CC(C3)C1)C2 ZINC000244899716 455278412 /nfs/dbraw/zinc/27/84/12/455278412.db2.gz ZOQJSGZOOFADGU-UHFFFAOYSA-N 1 1 329.488 3.229 50 0 EGAAMO C[N@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1sc(N2CCCC2)nc1Cl ZINC000214961550 456025528 /nfs/dbraw/zinc/02/55/28/456025528.db2.gz FCFLBWCTCHGHCF-OLZOCXBDSA-N 1 1 340.924 3.065 50 0 EGAAMO CCCC[C@@H](C(=O)Nc1cc(C)on1)[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000229220422 456128122 /nfs/dbraw/zinc/12/81/22/456128122.db2.gz CXZMJKHBQGXCOU-ZBFHGGJFSA-N 1 1 345.447 3.083 50 0 EGAAMO CCCC[C@@H](C(=O)Nc1cc(C)on1)[N@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000229220422 456128126 /nfs/dbraw/zinc/12/81/26/456128126.db2.gz CXZMJKHBQGXCOU-ZBFHGGJFSA-N 1 1 345.447 3.083 50 0 EGAAMO Fc1cccc(F)c1-c1c[nH]nc1[C@H]1CCC[N@@H+](Cc2cc[nH]n2)C1 ZINC000299772644 456779828 /nfs/dbraw/zinc/77/98/28/456779828.db2.gz AOVSKQBTYOKMDY-LBPRGKRZSA-N 1 1 343.381 3.458 50 0 EGAAMO CC[N@H+]1CCCC[C@H]1CNC(=O)N(C)Cc1cccc2cccnc21 ZINC000426493259 457841914 /nfs/dbraw/zinc/84/19/14/457841914.db2.gz SIUPQIUFFJFPKM-SFHVURJKSA-N 1 1 340.471 3.251 50 0 EGAAMO Cc1ccc2nc(CN(C)C(=O)CC[C@H](C)[NH+]3CCCC3)[nH]c2c1 ZINC000426597454 457860265 /nfs/dbraw/zinc/86/02/65/457860265.db2.gz VYSMVGYTOVKDLN-HNNXBMFYSA-N 1 1 328.460 3.094 50 0 EGAAMO Cc1n[nH]c(C)c1-c1ccc(C(=O)N2CCC[N@H+]3CCC[C@H]3C2)cc1 ZINC000426728350 457886614 /nfs/dbraw/zinc/88/66/14/457886614.db2.gz YITDFKZBJCGBKE-SFHVURJKSA-N 1 1 338.455 3.004 50 0 EGAAMO Cc1ccc([C@@H](NC(=O)N2CCC[N@H+](C)CC2)c2cccs2)cc1 ZINC000534584907 459335807 /nfs/dbraw/zinc/33/58/07/459335807.db2.gz UXTRMEBNNWEIGG-GOSISDBHSA-N 1 1 343.496 3.493 50 0 EGAAMO CCOC(=O)c1ncc(C[NH+]2CCC(OC3CCCC3)CC2)s1 ZINC000585136315 459829183 /nfs/dbraw/zinc/82/91/83/459829183.db2.gz AMCJPPZESSZKGX-UHFFFAOYSA-N 1 1 338.473 3.243 50 0 EGAAMO CCc1cnc(C)nc1N1CC[NH+](Cc2ccn(C(C)C)c2)CC1 ZINC000065526343 546565770 /nfs/dbraw/zinc/56/57/70/546565770.db2.gz KVMIBNVWPLIMKC-UHFFFAOYSA-N 1 1 327.476 3.052 50 0 EGAAMO Cc1ccc(NCCCNC(=O)c2cnoc2-c2ccccc2)[nH+]c1 ZINC000119000886 546701004 /nfs/dbraw/zinc/70/10/04/546701004.db2.gz CYZYVNXXUJHOCS-UHFFFAOYSA-N 1 1 336.395 3.277 50 0 EGAAMO O=C(NCC[N@H+]1CCC[C@@H](c2ccccc2)C1)c1cccn1C1CC1 ZINC000670441948 548215553 /nfs/dbraw/zinc/21/55/53/548215553.db2.gz HTWVETSLMVUMOS-GOSISDBHSA-N 1 1 337.467 3.432 50 0 EGAAMO CCc1[nH+]ccn1CCC(=O)NC[C@@]1(c2ccccc2)CC1(C)C ZINC000670452741 548218117 /nfs/dbraw/zinc/21/81/17/548218117.db2.gz BDGRLQRTFKFKAF-HXUWFJFHSA-N 1 1 325.456 3.320 50 0 EGAAMO C/C(=C\c1ccco1)C[N@H+]1CCC[C@H](CNC(=O)c2cc(C)on2)C1 ZINC000011843461 1291129260 /nfs/dbraw/zinc/12/92/60/1291129260.db2.gz DTCZMNVGDMIWHJ-SCZPIIQISA-N 1 1 343.427 3.121 50 0 EGAAMO C/C=C(\C)C[N@@H+]1CC[C@@]2(C1)CCCN(Cc1cccc(OC)c1)C2=O ZINC000012578250 1291132663 /nfs/dbraw/zinc/13/26/63/1291132663.db2.gz MDXSZIFCOGZXAM-ALPJNHHUSA-N 1 1 342.483 3.476 50 0 EGAAMO CCn1ccnc1CN(CCc1ccccc1)CC1CC[NH+](C)CC1 ZINC000015063991 1291146220 /nfs/dbraw/zinc/14/62/20/1291146220.db2.gz PIIAVYNTNAKTGW-UHFFFAOYSA-N 1 1 340.515 3.290 50 0 EGAAMO c1ccc2c(c1)CC([N@H+]1CCCN([C@H]3COc4ccccc4C3)CC1)C2 ZINC000199294504 1296088809 /nfs/dbraw/zinc/08/88/09/1296088809.db2.gz MSPKZHYFOOBRTH-JOCHJYFZSA-N 1 1 348.490 3.165 50 0 EGAAMO CC[C@@H](C)c1ccccc1OCC(=O)NCCn1c[nH+]c(C)c1C ZINC000822662315 1320110271 /nfs/dbraw/zinc/11/02/71/1320110271.db2.gz PUHITXGJAZZKQY-CQSZACIVSA-N 1 1 329.444 3.209 50 0 EGAAMO Cc1ccc(C(=O)Nc2ccc(NC(=O)C[NH+](C)C)c(C)c2)s1 ZINC000823676238 1320197321 /nfs/dbraw/zinc/19/73/21/1320197321.db2.gz ZIWOVPHNWBCRDZ-UHFFFAOYSA-N 1 1 331.441 3.117 50 0 EGAAMO COc1cccc(C)c1C(=O)N1CC[NH+](CCc2ccccc2)CC1 ZINC000824792484 1320285761 /nfs/dbraw/zinc/28/57/61/1320285761.db2.gz IKUGBAPCAVYYRD-UHFFFAOYSA-N 1 1 338.451 3.004 50 0 EGAAMO C[NH+](C)[C@H](C(=O)NCCc1ccccc1Cl)c1cccc(F)c1 ZINC000826609364 1320391058 /nfs/dbraw/zinc/39/10/58/1320391058.db2.gz SIPWYGLADTVLAU-KRWDZBQOSA-N 1 1 334.822 3.441 50 0 EGAAMO Cc1cc(NC(=O)[C@@]2(C)CC[N@H+](C)C2)ccc1NC(=O)C(C)(C)C ZINC000952861763 1334583252 /nfs/dbraw/zinc/58/32/52/1334583252.db2.gz KAWXUXKUSADKRT-IBGZPJMESA-N 1 1 331.460 3.260 50 0 EGAAMO O=C(c1ccncc1)N1CCC([N@@H+]2CC=C(c3ccccc3)CC2)CC1 ZINC000952978693 1334629176 /nfs/dbraw/zinc/62/91/76/1334629176.db2.gz VCKKIUIVFAEQPM-UHFFFAOYSA-N 1 1 347.462 3.476 50 0 EGAAMO COc1ccc2cc(CNCCC[N@@H+]3CCCC[C@@H]3CO)ccc2c1 ZINC000952986877 1334631579 /nfs/dbraw/zinc/63/15/79/1334631579.db2.gz BIVGDHSTXRRJPI-HXUWFJFHSA-N 1 1 342.483 3.175 50 0 EGAAMO COc1ccc2cc(CNCCC[N@H+]3CCCC[C@@H]3CO)ccc2c1 ZINC000952986877 1334631582 /nfs/dbraw/zinc/63/15/82/1334631582.db2.gz BIVGDHSTXRRJPI-HXUWFJFHSA-N 1 1 342.483 3.175 50 0 EGAAMO COc1ccc2cc(C[NH2+]CCCN3CCCC[C@@H]3CO)ccc2c1 ZINC000952986877 1334631585 /nfs/dbraw/zinc/63/15/85/1334631585.db2.gz BIVGDHSTXRRJPI-HXUWFJFHSA-N 1 1 342.483 3.175 50 0 EGAAMO CCCOc1ccc(OCC[N@H+]2CCC[C@]3(CCC[C@H]3O)C2)cc1 ZINC001704315843 1416439948 /nfs/dbraw/zinc/43/99/48/1416439948.db2.gz WQELSKCAMJPBMT-WOJBJXKFSA-N 1 1 333.472 3.481 50 0 EGAAMO CCCOc1ccccc1-c1nnc(NC[C@@H]2CCCC[N@H+]2C)o1 ZINC001704337301 1416448147 /nfs/dbraw/zinc/44/81/47/1416448147.db2.gz QJPRIKJSZQKKBS-AWEZNQCLSA-N 1 1 330.432 3.422 50 0 EGAAMO CCn1ccnc1[C@H]1CCC[N@@H+](Cc2ccc(OC)c(COC)c2)C1 ZINC001704352760 1416453394 /nfs/dbraw/zinc/45/33/94/1416453394.db2.gz FJRLKXLYPSPEFQ-KRWDZBQOSA-N 1 1 343.471 3.438 50 0 EGAAMO COc1cc(C[N@@H+]2C[C@@H]3[C@@H](O)C[C@@H]3C2)ccc1OCc1ccccc1 ZINC001772707855 1441417124 /nfs/dbraw/zinc/41/71/24/1441417124.db2.gz WFQBUBXKLLRQTP-QYZOEREBSA-N 1 1 339.435 3.087 50 0 EGAAMO CCC[N@H+]1C[C@@H]2CN(c3noc(C)n3)C[C@@]2(CCc2ccccc2)C1 ZINC001772810833 1441417557 /nfs/dbraw/zinc/41/75/57/1441417557.db2.gz NXRVVVPBPJMBEC-UYAOXDASSA-N 1 1 340.471 3.159 50 0 EGAAMO CC(C)N1C[C@@H](C[N@@H+](C)Cc2ccc3ncccc3c2)CCC1=O ZINC001772814984 1441417699 /nfs/dbraw/zinc/41/76/99/1441417699.db2.gz GLCLPRWAARVIMI-QGZVFWFLSA-N 1 1 325.456 3.314 50 0 EGAAMO CC(C)N1C[C@H](C[N@@H+](C)Cc2cccc3ncccc23)CCC1=O ZINC001772815424 1441417777 /nfs/dbraw/zinc/41/77/77/1441417777.db2.gz QKQIHBUGWZHCBU-INIZCTEOSA-N 1 1 325.456 3.314 50 0 EGAAMO COc1ccc(OC)c(CN2CCC([N@H+]3CCC[C@@H](C)C3)CC2)c1 ZINC000004745648 210266734 /nfs/dbraw/zinc/26/67/34/210266734.db2.gz FJQPONIXXJOYOL-MRXNPFEDSA-N 1 1 332.488 3.400 50 0 EGAAMO COCCc1ncc(C[N@@H+](C)C[C@@]2(c3ccccc3)CC2(C)C)cn1 ZINC000097696124 219048523 /nfs/dbraw/zinc/04/85/23/219048523.db2.gz KNSMSJCMYWIBSF-OAQYLSRUSA-N 1 1 339.483 3.465 50 0 EGAAMO Cc1cc(C)n([C@@H]2CC[N@@H+](Cc3ccc(-c4cc[nH]n4)s3)C2)n1 ZINC000097742793 219052301 /nfs/dbraw/zinc/05/23/01/219052301.db2.gz XSRDEUJCSWVGOY-CQSZACIVSA-N 1 1 327.457 3.399 50 0 EGAAMO CCOCc1cc(C[N@H+]2CCC[C@@H](c3ccncn3)C2)ccc1OC ZINC000097742583 219052987 /nfs/dbraw/zinc/05/29/87/219052987.db2.gz PKWSMHKSESCACZ-QGZVFWFLSA-N 1 1 341.455 3.401 50 0 EGAAMO CCOC(=O)C(C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C(=O)OCC ZINC000004287976 210162229 /nfs/dbraw/zinc/16/22/29/210162229.db2.gz ISQMVXPLENPISL-QGZVFWFLSA-N 1 1 347.455 3.031 50 0 EGAAMO Cc1cnccc1C(=O)NC[C@@H]1CC[N@@H+](Cc2cc3ccccc3[nH]2)C1 ZINC000067446663 215146930 /nfs/dbraw/zinc/14/69/30/215146930.db2.gz LORFYUSEWRAOPO-INIZCTEOSA-N 1 1 348.450 3.123 50 0 EGAAMO Cc1cccc(NC(=O)NC[C@H]2CCC[N@H+](Cc3c[nH]cn3)C2)c1C ZINC000067757546 215204340 /nfs/dbraw/zinc/20/43/40/215204340.db2.gz NNMGMKQUFHUDKJ-MRXNPFEDSA-N 1 1 341.459 3.060 50 0 EGAAMO Cc1cccc(NC(=O)NC[C@H]2CCC[N@@H+](Cc3c[nH]cn3)C2)c1C ZINC000067757546 215204343 /nfs/dbraw/zinc/20/43/43/215204343.db2.gz NNMGMKQUFHUDKJ-MRXNPFEDSA-N 1 1 341.459 3.060 50 0 EGAAMO Cc1cccc(NC(=O)NC[C@H]2CCC[N@H+](Cc3cnc[nH]3)C2)c1C ZINC000067757546 215204347 /nfs/dbraw/zinc/20/43/47/215204347.db2.gz NNMGMKQUFHUDKJ-MRXNPFEDSA-N 1 1 341.459 3.060 50 0 EGAAMO O=C(NC[C@H]1CC[N@@H+](Cc2cc3ccccc3[nH]2)C1)c1ccsc1 ZINC000067769449 215207156 /nfs/dbraw/zinc/20/71/56/215207156.db2.gz UEMRLNVNFSJFOV-CQSZACIVSA-N 1 1 339.464 3.481 50 0 EGAAMO CCC[N@@H+](C)C[C@@]1(O)CCCN(Cc2ccc(C(C)C)cc2)C1=O ZINC000067954740 215259222 /nfs/dbraw/zinc/25/92/22/215259222.db2.gz OUIHLOIMANCAAE-FQEVSTJZSA-N 1 1 332.488 3.005 50 0 EGAAMO CC(C)C[N@H+]1CCN(Cc2ccc(F)cc2Cl)C[C@H]1CCO ZINC000104438322 219387577 /nfs/dbraw/zinc/38/75/77/219387577.db2.gz WTNNZFCCPAZUPX-MRXNPFEDSA-N 1 1 328.859 3.004 50 0 EGAAMO CCOc1ccccc1CN1CC[N@@H+](CC(C)(C)C)C[C@H]1CCO ZINC000104516494 219391022 /nfs/dbraw/zinc/39/10/22/219391022.db2.gz BPSDJOVEBOTWGX-GOSISDBHSA-N 1 1 334.504 3.000 50 0 EGAAMO Fc1ccc(C[N@H+]2CCC[C@]3(CCN(c4ncccn4)C3)C2)cc1F ZINC000072145420 216032260 /nfs/dbraw/zinc/03/22/60/216032260.db2.gz YKRORAJEMVCEEU-IBGZPJMESA-N 1 1 344.409 3.247 50 0 EGAAMO Cc1ccc([C@@H](C)CC[N@H+](C)Cc2nc3ccccc3c(=O)[nH]2)o1 ZINC000072146952 216033736 /nfs/dbraw/zinc/03/37/36/216033736.db2.gz QQQYJXYAXNCSIY-ZDUSSCGKSA-N 1 1 325.412 3.450 50 0 EGAAMO Cc1ccc([C@@H](C)CC[N@@H+](C)Cc2nc3ccccc3c(=O)[nH]2)o1 ZINC000072146952 216033737 /nfs/dbraw/zinc/03/37/37/216033737.db2.gz QQQYJXYAXNCSIY-ZDUSSCGKSA-N 1 1 325.412 3.450 50 0 EGAAMO Fc1ccc(CN2CCC[N@@H+](Cc3ccncc3)CC2)c(F)c1F ZINC000072146405 216033830 /nfs/dbraw/zinc/03/38/30/216033830.db2.gz GLHXOMKKVQIMIS-UHFFFAOYSA-N 1 1 335.373 3.207 50 0 EGAAMO CC(C)c1nccc(CN2CCC[N@@H+](Cc3ccc(F)cc3)CC2)n1 ZINC000072141855 216027979 /nfs/dbraw/zinc/02/79/79/216027979.db2.gz LFLXZPBUKLFVOD-UHFFFAOYSA-N 1 1 342.462 3.447 50 0 EGAAMO CC(C)c1nccc(C[N@@H+]2CCCN(Cc3ccc(F)cc3)CC2)n1 ZINC000072141855 216027984 /nfs/dbraw/zinc/02/79/84/216027984.db2.gz LFLXZPBUKLFVOD-UHFFFAOYSA-N 1 1 342.462 3.447 50 0 EGAAMO CC(C)c1nccc(C[N@H+]2CCCN(Cc3ccc(F)cc3)CC2)n1 ZINC000072141855 216027987 /nfs/dbraw/zinc/02/79/87/216027987.db2.gz LFLXZPBUKLFVOD-UHFFFAOYSA-N 1 1 342.462 3.447 50 0 EGAAMO COC(=O)c1coc(C[N@@H+]2CCCC[C@@H]2CCc2ccc(O)cc2)n1 ZINC000072156773 216045541 /nfs/dbraw/zinc/04/55/41/216045541.db2.gz QBHHILFGJVXRFD-OAHLLOKOSA-N 1 1 344.411 3.154 50 0 EGAAMO COC(=O)c1coc(C[N@H+]2CCCC[C@@H]2CCc2ccc(O)cc2)n1 ZINC000072156773 216045543 /nfs/dbraw/zinc/04/55/43/216045543.db2.gz QBHHILFGJVXRFD-OAHLLOKOSA-N 1 1 344.411 3.154 50 0 EGAAMO CC(C)=CC[N@H+]1CCN(c2nc3ccccc3s2)C[C@@H]1CCO ZINC000072424266 216212858 /nfs/dbraw/zinc/21/28/58/216212858.db2.gz OCJOUNSFLZFCQE-HNNXBMFYSA-N 1 1 331.485 3.136 50 0 EGAAMO Cc1cc2nc(-c3ccccc3)cc(N(C)C[C@@]3(C)CC[N@@H+](C)C3)n2n1 ZINC000072433909 216228176 /nfs/dbraw/zinc/22/81/76/216228176.db2.gz MYGYWWCFCQDDJC-NRFANRHFSA-N 1 1 349.482 3.483 50 0 EGAAMO Cc1oc(-c2ccccc2Cl)nc1C[N@H+](C)C[C@H]1COCCO1 ZINC000072469046 216249114 /nfs/dbraw/zinc/24/91/14/216249114.db2.gz FPIFHNHOULKOQL-ZDUSSCGKSA-N 1 1 336.819 3.151 50 0 EGAAMO Cc1oc(-c2ccccc2Cl)nc1C[N@@H+](C)C[C@H]1COCCO1 ZINC000072469046 216249115 /nfs/dbraw/zinc/24/91/15/216249115.db2.gz FPIFHNHOULKOQL-ZDUSSCGKSA-N 1 1 336.819 3.151 50 0 EGAAMO Cc1oc(-c2cccs2)nc1C[N@@H+]1CCC[C@@H](N2CCOCC2)C1 ZINC000023361371 212370413 /nfs/dbraw/zinc/37/04/13/212370413.db2.gz YMDDYTLUDNMLCP-OAHLLOKOSA-N 1 1 347.484 3.008 50 0 EGAAMO Cc1oc(-c2cccs2)nc1C[N@H+]1CCC[C@@H](N2CCOCC2)C1 ZINC000023361371 212370415 /nfs/dbraw/zinc/37/04/15/212370415.db2.gz YMDDYTLUDNMLCP-OAHLLOKOSA-N 1 1 347.484 3.008 50 0 EGAAMO COCCc1noc([C@@H]2CCC[N@@H+](Cc3cc4ccccc4o3)C2)n1 ZINC000215141501 241106965 /nfs/dbraw/zinc/10/69/65/241106965.db2.gz FUVFCTRLNRVATE-OAHLLOKOSA-N 1 1 341.411 3.384 50 0 EGAAMO CC(C)Cn1c2ccccc2nc1C[N@@H+](C)CCc1cnn(C)c1 ZINC000215308444 241116904 /nfs/dbraw/zinc/11/69/04/241116904.db2.gz HKGGCDMNWJWRTD-UHFFFAOYSA-N 1 1 325.460 3.100 50 0 EGAAMO CC[C@@H](C)CC(=O)NCC[N@H+]1Cc2cc(OC)ccc2O[C@@H](CC)C1 ZINC000215843818 241151198 /nfs/dbraw/zinc/15/11/98/241151198.db2.gz FANRPCSHUCQHGO-WBVHZDCISA-N 1 1 348.487 3.221 50 0 EGAAMO CC[C@@H](C)CC(=O)NCC[N@@H+]1Cc2cc(OC)ccc2O[C@@H](CC)C1 ZINC000215843818 241151201 /nfs/dbraw/zinc/15/12/01/241151201.db2.gz FANRPCSHUCQHGO-WBVHZDCISA-N 1 1 348.487 3.221 50 0 EGAAMO CC(=O)N[C@H]1CC[N@@H+](Cc2ccc(OCCc3ccccc3)cc2)C1 ZINC000216171521 241172604 /nfs/dbraw/zinc/17/26/04/241172604.db2.gz XIRDHCDCXQVTNN-FQEVSTJZSA-N 1 1 338.451 3.019 50 0 EGAAMO Cc1ccc(C[N@@H+](C)Cc2cnc(NC[C@H]3CCCO3)nc2)s1 ZINC000216390049 241187635 /nfs/dbraw/zinc/18/76/35/241187635.db2.gz JPCOPDAARYWGNL-OAHLLOKOSA-N 1 1 332.473 3.069 50 0 EGAAMO Cc1ccc(C[N@H+](C)Cc2cnc(NC[C@H]3CCCO3)nc2)s1 ZINC000216390049 241187642 /nfs/dbraw/zinc/18/76/42/241187642.db2.gz JPCOPDAARYWGNL-OAHLLOKOSA-N 1 1 332.473 3.069 50 0 EGAAMO O=C(N[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cnoc1-c1ccccc1 ZINC000215477398 241129102 /nfs/dbraw/zinc/12/91/02/241129102.db2.gz IHWHQANBLKWUOC-SFHVURJKSA-N 1 1 347.418 3.346 50 0 EGAAMO Cc1cc(C)n(-c2cccc(C[N@H+](C)CCCc3nccn3C)c2)n1 ZINC000215640296 241137112 /nfs/dbraw/zinc/13/71/12/241137112.db2.gz ZCQRAIYEZATYNJ-UHFFFAOYSA-N 1 1 337.471 3.287 50 0 EGAAMO C[NH+]1CCN(Cc2ccc(C(=O)c3cc(F)cc(Cl)c3)cc2)CC1 ZINC000022027942 212271621 /nfs/dbraw/zinc/27/16/21/212271621.db2.gz ZPIARSRZGIKPPC-UHFFFAOYSA-N 1 1 346.833 3.458 50 0 EGAAMO Cc1ccc(NC(=O)CCN2CC([N@@H+]3CCCC[C@H]3C)C2)cc1F ZINC000243932071 243033392 /nfs/dbraw/zinc/03/33/92/243033392.db2.gz BSCVUOSCDWMMRQ-OAHLLOKOSA-N 1 1 333.451 3.021 50 0 EGAAMO CCOc1ccc([C@H](O)[C@H](C[NH+]2CCOCC2)c2ccccc2)cc1 ZINC000020791882 212171769 /nfs/dbraw/zinc/17/17/69/212171769.db2.gz RTHRSTWGVRVJQO-RTWAWAEBSA-N 1 1 341.451 3.235 50 0 EGAAMO COc1ccc(NC(=O)N2CC[NH+](Cc3ccccc3C)CC2)cc1 ZINC000020661339 212159990 /nfs/dbraw/zinc/15/99/90/212159990.db2.gz WHHRBFPEPLSWIM-UHFFFAOYSA-N 1 1 339.439 3.353 50 0 EGAAMO COc1ccc(/C=C/C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000020477830 212135853 /nfs/dbraw/zinc/13/58/53/212135853.db2.gz SVKWUSYVTBHMIG-FMIVXFBMSA-N 1 1 336.435 3.053 50 0 EGAAMO c1c(-c2ccccc2)n(CC[NH+]2CCOCC2)c2nc3ccccc3n12 ZINC000019720638 212058796 /nfs/dbraw/zinc/05/87/96/212058796.db2.gz UXARCJWRSCZPDJ-UHFFFAOYSA-N 1 1 346.434 3.288 50 0 EGAAMO OCC[C@H]1CN(Cc2ccccc2F)CC[N@@H+]1Cc1ccc(F)cc1 ZINC000019537275 212041517 /nfs/dbraw/zinc/04/15/17/212041517.db2.gz OVAQHYQMBABNRC-IBGZPJMESA-N 1 1 346.421 3.034 50 0 EGAAMO OCC[C@H]1CN(Cc2ccccc2F)CC[N@H+]1Cc1ccc(F)cc1 ZINC000019537275 212041519 /nfs/dbraw/zinc/04/15/19/212041519.db2.gz OVAQHYQMBABNRC-IBGZPJMESA-N 1 1 346.421 3.034 50 0 EGAAMO CCOC(=O)[C@@H]1CCC[N@H+](Cc2cc(Br)cs2)C1 ZINC000019536252 212038946 /nfs/dbraw/zinc/03/89/46/212038946.db2.gz CCTZHRBPQZOOLY-SNVBAGLBSA-N 1 1 332.263 3.286 50 0 EGAAMO CCOC(=O)[C@@H]1CCC[N@@H+](Cc2cc(Br)cs2)C1 ZINC000019536252 212038949 /nfs/dbraw/zinc/03/89/49/212038949.db2.gz CCTZHRBPQZOOLY-SNVBAGLBSA-N 1 1 332.263 3.286 50 0 EGAAMO C[N@@H+](C[C@H]1CCCN(CCc2ccccc2F)C1)CC(C)(C)CO ZINC000012443850 211385174 /nfs/dbraw/zinc/38/51/74/211385174.db2.gz XQMQHTCWFFLZNV-QGZVFWFLSA-N 1 1 336.495 3.031 50 0 EGAAMO CCN(Cc1ncc[nH]1)C[C@H]1CCC[N@@H+](CCc2cccc(F)c2)C1 ZINC000012433226 211379271 /nfs/dbraw/zinc/37/92/71/211379271.db2.gz IWDRKADXVDJYPN-GOSISDBHSA-N 1 1 344.478 3.325 50 0 EGAAMO C[C@@H]1C[C@H](C)C[N@H+](C[C@@H](O)COCCOc2ccc(Cl)cc2)C1 ZINC000012377665 211360661 /nfs/dbraw/zinc/36/06/61/211360661.db2.gz BEXFKBNLQVOIOG-HLLBOEOZSA-N 1 1 341.879 3.074 50 0 EGAAMO O=C1N(CC2CCCCC2)CCC[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC000012320864 211345644 /nfs/dbraw/zinc/34/56/44/211345644.db2.gz SPJPJTAEGJOEMZ-OAQYLSRUSA-N 1 1 341.499 3.476 50 0 EGAAMO COc1ccc(F)cc1C(=O)[C@@H]1CCC[N@H+](Cc2ccncc2)C1 ZINC000012307662 211342868 /nfs/dbraw/zinc/34/28/68/211342868.db2.gz OPJJVSZLDZKIBM-OAHLLOKOSA-N 1 1 328.387 3.324 50 0 EGAAMO COc1ccc(F)cc1C(=O)[C@@H]1CCC[N@@H+](Cc2ccncc2)C1 ZINC000012307662 211342872 /nfs/dbraw/zinc/34/28/72/211342872.db2.gz OPJJVSZLDZKIBM-OAHLLOKOSA-N 1 1 328.387 3.324 50 0 EGAAMO COc1ccc(F)cc1C(=O)[C@@H]1CCC[N@H+](Cc2ccccn2)C1 ZINC000012308478 211342016 /nfs/dbraw/zinc/34/20/16/211342016.db2.gz PVWNVEXISKPVTH-CQSZACIVSA-N 1 1 328.387 3.324 50 0 EGAAMO COc1ccc(F)cc1C(=O)[C@@H]1CCC[N@@H+](Cc2ccccn2)C1 ZINC000012308478 211342019 /nfs/dbraw/zinc/34/20/19/211342019.db2.gz PVWNVEXISKPVTH-CQSZACIVSA-N 1 1 328.387 3.324 50 0 EGAAMO COCCC(=O)N1CC[C@@]2(C1)CCC[N@@H+](CCC1CCCCC1)C2 ZINC000012205671 211319680 /nfs/dbraw/zinc/31/96/80/211319680.db2.gz MDGPJLLGOSQLEM-FQEVSTJZSA-N 1 1 336.520 3.308 50 0 EGAAMO C[C@@]1(Cc2ccc3c(c2)OCO3)CCC[N@@H+](Cc2cncnc2)C1 ZINC000091444726 218007185 /nfs/dbraw/zinc/00/71/85/218007185.db2.gz OPKKBJZCOKYUPG-IBGZPJMESA-N 1 1 325.412 3.050 50 0 EGAAMO O=C(c1ccc2c(c1)OCO2)[C@H]1CCC[N@H+](C2CCSCC2)C1 ZINC000011840258 211254326 /nfs/dbraw/zinc/25/43/26/211254326.db2.gz GXBRHHMGAVAQLB-AWEZNQCLSA-N 1 1 333.453 3.206 50 0 EGAAMO Cc1cc([C@H]2CCC[N@@H+]2Cc2cc(=O)c3cc(F)ccc3[nH]2)on1 ZINC000091679369 218046511 /nfs/dbraw/zinc/04/65/11/218046511.db2.gz JEHAVMBJGKMLFP-MRXNPFEDSA-N 1 1 327.359 3.301 50 0 EGAAMO Cc1cc([C@H]2CCC[N@H+]2Cc2cc(=O)c3cc(F)ccc3[nH]2)on1 ZINC000091679369 218046514 /nfs/dbraw/zinc/04/65/14/218046514.db2.gz JEHAVMBJGKMLFP-MRXNPFEDSA-N 1 1 327.359 3.301 50 0 EGAAMO Cc1cnc(C)c(N2CCC[C@H](c3[nH+]ccn3Cc3ccncc3)C2)n1 ZINC000091987180 218099084 /nfs/dbraw/zinc/09/90/84/218099084.db2.gz QDUJALUWXZSMEL-SFHVURJKSA-N 1 1 348.454 3.117 50 0 EGAAMO CC[C@@H]1CCCC[N@H+]1CCCNS(=O)(=O)c1ccc(Cl)cc1 ZINC000010544204 211180882 /nfs/dbraw/zinc/18/08/82/211180882.db2.gz RHADBQQNRGQFSO-OAHLLOKOSA-N 1 1 344.908 3.273 50 0 EGAAMO CN(CCn1ccc2ccccc21)C(=O)[C@H]1Cc2ccccc2C[N@@H+]1C ZINC000095355903 218289089 /nfs/dbraw/zinc/28/90/89/218289089.db2.gz NMMRSUYTWIRJIN-OAQYLSRUSA-N 1 1 347.462 3.156 50 0 EGAAMO CN(CCn1ccc2ccccc21)C(=O)[C@H]1Cc2ccccc2C[N@H+]1C ZINC000095355903 218289090 /nfs/dbraw/zinc/28/90/90/218289090.db2.gz NMMRSUYTWIRJIN-OAQYLSRUSA-N 1 1 347.462 3.156 50 0 EGAAMO Cc1cc(CN2C[C@H]3CC[C@@H]2C[N@H+](C2Cc4ccccc4C2)C3)on1 ZINC000095363240 218295852 /nfs/dbraw/zinc/29/58/52/218295852.db2.gz XTCXSLIZDFLBHG-QFBILLFUSA-N 1 1 337.467 3.047 50 0 EGAAMO COc1cc(C[N@H+]2C[C@H]3CC[C@@H](C2)C(=O)N3CC=C(C)C)ccc1F ZINC000095372233 218305468 /nfs/dbraw/zinc/30/54/68/218305468.db2.gz VPYCSINHXFZSGH-DLBZAZTESA-N 1 1 346.446 3.223 50 0 EGAAMO CCc1nc(CN2C[C@H]3CC[C@@H]2C[N@@H+](Cc2ccccn2)C3)cs1 ZINC000095378671 218311669 /nfs/dbraw/zinc/31/16/69/218311669.db2.gz VVZGJGPLRMLXJS-MAUKXSAKSA-N 1 1 342.512 3.197 50 0 EGAAMO Cc1ccc(F)c(CNC(=O)[C@@H](c2ccc(F)cc2)[NH+](C)C)c1F ZINC000095380020 218312712 /nfs/dbraw/zinc/31/27/12/218312712.db2.gz GWUNGSLHTPPZQJ-QGZVFWFLSA-N 1 1 336.357 3.331 50 0 EGAAMO Fc1cccnc1N1CCC[C@H](c2[nH+]ccn2Cc2ccccn2)C1 ZINC000095388209 218320540 /nfs/dbraw/zinc/32/05/40/218320540.db2.gz VPCRNRNBZUKQKZ-HNNXBMFYSA-N 1 1 337.402 3.245 50 0 EGAAMO Cc1[nH+]ccn1CC[N@@H+](C)[C@@H](C(=O)[O-])c1ccc(C(C)(C)C)cc1 ZINC000095389001 218320859 /nfs/dbraw/zinc/32/08/59/218320859.db2.gz UVODNIZCPAKEML-QGZVFWFLSA-N 1 1 329.444 3.247 50 0 EGAAMO Cc1[nH+]ccn1CC[N@H+](C)[C@@H](C(=O)[O-])c1ccc(C(C)(C)C)cc1 ZINC000095389001 218320862 /nfs/dbraw/zinc/32/08/62/218320862.db2.gz UVODNIZCPAKEML-QGZVFWFLSA-N 1 1 329.444 3.247 50 0 EGAAMO CN(Cc1ccc(Cl)nc1)C(=O)[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000095384013 218315784 /nfs/dbraw/zinc/31/57/84/218315784.db2.gz BUPIKPNJGPWAMF-MRXNPFEDSA-N 1 1 335.810 3.135 50 0 EGAAMO O=C(C[NH+]1CCCCC1)Nc1ccc(NC(=O)c2ccccc2)cc1 ZINC000005515618 210479153 /nfs/dbraw/zinc/47/91/53/210479153.db2.gz SRECFYMVPHSBAE-UHFFFAOYSA-N 1 1 337.423 3.363 50 0 EGAAMO Cc1cc(OC[C@H](O)C[N@H+]2CCc3ccccc3C2)ccc1Cl ZINC000004986439 210350964 /nfs/dbraw/zinc/35/09/64/210350964.db2.gz LJPALRNNMOQAQU-QGZVFWFLSA-N 1 1 331.843 3.446 50 0 EGAAMO CCOC(=O)c1c(C)c(C)sc1NC(=O)C[NH+]1CCCCCC1 ZINC000000027746 208550950 /nfs/dbraw/zinc/55/09/50/208550950.db2.gz LBESGTFNUNIHPP-UHFFFAOYSA-N 1 1 338.473 3.356 50 0 EGAAMO Cc1ccsc1CN(C(=O)NC[C@@H]1CC[N@H+](C(C)C)C1)C1CC1 ZINC000426719769 257957105 /nfs/dbraw/zinc/95/71/05/257957105.db2.gz AXAPXXQFDSPEGA-HNNXBMFYSA-N 1 1 335.517 3.461 50 0 EGAAMO Cc1[nH]nc(C(=O)NCC[C@@H]2CCCC[N@H+]2C2CCCC2)c1Cl ZINC000299772598 258084923 /nfs/dbraw/zinc/08/49/23/258084923.db2.gz DESNQHNZIRISQX-AWEZNQCLSA-N 1 1 338.883 3.289 50 0 EGAAMO Cc1n[nH]c(C(=O)NCC[C@@H]2CCCC[N@@H+]2C2CCCC2)c1Cl ZINC000299772598 258084925 /nfs/dbraw/zinc/08/49/25/258084925.db2.gz DESNQHNZIRISQX-AWEZNQCLSA-N 1 1 338.883 3.289 50 0 EGAAMO Cc1n[nH]c(C(=O)NCC[C@@H]2CCCC[N@H+]2C2CCCC2)c1Cl ZINC000299772598 258084926 /nfs/dbraw/zinc/08/49/26/258084926.db2.gz DESNQHNZIRISQX-AWEZNQCLSA-N 1 1 338.883 3.289 50 0 EGAAMO CC(C)OCCCNC(=O)[C@H]1C[C@@H](c2ccccc2)[N@H+]2CCC[C@H]12 ZINC000299774987 258085462 /nfs/dbraw/zinc/08/54/62/258085462.db2.gz IVTWULHLIFOSJT-OTWHNJEPSA-N 1 1 330.472 3.143 50 0 EGAAMO CCc1ccccc1OC1C[NH+](CCC(=O)NCc2cccs2)C1 ZINC000299781845 258090852 /nfs/dbraw/zinc/09/08/52/258090852.db2.gz UWUXSGHQYOPFMH-UHFFFAOYSA-N 1 1 344.480 3.080 50 0 EGAAMO Cc1cccc([C@H](NC(=O)C[N@@H+](C)Cc2ccc(F)cc2)C2CC2)n1 ZINC000299765526 258080915 /nfs/dbraw/zinc/08/09/15/258080915.db2.gz ACQVFVRJDLQGBY-HXUWFJFHSA-N 1 1 341.430 3.228 50 0 EGAAMO Cc1cccc([C@H](NC(=O)C[N@H+](C)Cc2ccc(F)cc2)C2CC2)n1 ZINC000299765526 258080916 /nfs/dbraw/zinc/08/09/16/258080916.db2.gz ACQVFVRJDLQGBY-HXUWFJFHSA-N 1 1 341.430 3.228 50 0 EGAAMO C[NH+]1CCN(c2nc(-c3ccc(Cl)cc3)cc(C(F)F)n2)CC1 ZINC000036618582 132391945 /nfs/dbraw/zinc/39/19/45/132391945.db2.gz HVAGVEYQYQJVFG-UHFFFAOYSA-N 1 1 338.789 3.486 50 0 EGAAMO O=C(CC[NH+]1CCC(c2ccn[nH]2)CC1)Nc1ccc2c(c1)CCC2 ZINC000171639804 227191156 /nfs/dbraw/zinc/19/11/56/227191156.db2.gz FQYPAHWYYPLDSE-UHFFFAOYSA-N 1 1 338.455 3.107 50 0 EGAAMO COCC[N@H+]1CCC[C@@]2(CCN(Cc3c(F)cccc3Cl)C2)C1 ZINC000015074480 274027553 /nfs/dbraw/zinc/02/75/53/274027553.db2.gz UKVRBZCOHLSBDJ-GOSISDBHSA-N 1 1 340.870 3.413 50 0 EGAAMO COc1cc(C[N@H+]2CCC[C@](CO)(Cc3ccccc3)C2)ccc1O ZINC000011662168 275120088 /nfs/dbraw/zinc/12/00/88/275120088.db2.gz MUMHCQHBISYEPQ-NRFANRHFSA-N 1 1 341.451 3.218 50 0 EGAAMO COCC[N@H+]1CC[C@H](CNC(=O)Nc2c(C)cc(Cl)cc2C)C1 ZINC000095497535 277226662 /nfs/dbraw/zinc/22/66/62/277226662.db2.gz PHKKUDBKMRXFOI-CQSZACIVSA-N 1 1 339.867 3.047 50 0 EGAAMO Cc1ccc(F)cc1NC(=O)N1CCCC[C@@H]1CC[NH+]1CCOCC1 ZINC000072150538 278815095 /nfs/dbraw/zinc/81/50/95/278815095.db2.gz UNNUHUBGJYKZAJ-QGZVFWFLSA-N 1 1 349.450 3.243 50 0 EGAAMO CC(C)[C@H](C)[N@@H+](Cc1ccco1)Cc1ccccc1OCC(N)=O ZINC000055307619 280213453 /nfs/dbraw/zinc/21/34/53/280213453.db2.gz YVNIGOGMDAMAKJ-HNNXBMFYSA-N 1 1 330.428 3.190 50 0 EGAAMO C[C@H]([NH2+]CC(=O)NCc1ccco1)c1ccccc1Br ZINC000016695412 453619312 /nfs/dbraw/zinc/61/93/12/453619312.db2.gz OYPKFOAIZGQORT-NSHDSACASA-N 1 1 337.217 3.009 50 0 EGAAMO COCC[N@H+]1CC[C@@H](CN(C)Cc2cccc(Cl)c2Cl)C1 ZINC000097076835 454400056 /nfs/dbraw/zinc/40/00/56/454400056.db2.gz SEULYVMTCKCLLK-ZDUSSCGKSA-N 1 1 331.287 3.394 50 0 EGAAMO Cc1nc([C@@H]2CCCN(Cc3nc4ccc(C)c(C)c4[nH]3)C2)no1 ZINC000244795301 455276755 /nfs/dbraw/zinc/27/67/55/455276755.db2.gz RDOTVCJQFPEDGO-CQSZACIVSA-N 1 1 325.416 3.251 50 0 EGAAMO COc1ccc(C[NH+]2CCN(c3ccccc3C)CC2)cc1OC ZINC000000293909 452556627 /nfs/dbraw/zinc/55/66/27/452556627.db2.gz WUGBTQVAMVCUJC-UHFFFAOYSA-N 1 1 326.440 3.334 50 0 EGAAMO COc1cccc(C(=O)[C@H]2CCC[N@@H+](Cc3ccc(O)cc3)C2)c1 ZINC000012572776 453377154 /nfs/dbraw/zinc/37/71/54/453377154.db2.gz ZAQIQJCYFCDYEU-KRWDZBQOSA-N 1 1 325.408 3.496 50 0 EGAAMO COc1ccc(-c2nc(C[N@@H+](C)C3CCOCC3)c(C)o2)c(OC)c1 ZINC000012574269 453379389 /nfs/dbraw/zinc/37/93/89/453379389.db2.gz LEDJXYLBBNYHHL-UHFFFAOYSA-N 1 1 346.427 3.278 50 0 EGAAMO COc1ccccc1C[N@@H+]1CCC(=O)N(Cc2ccc(F)cc2)CC1 ZINC000014996301 453551082 /nfs/dbraw/zinc/55/10/82/453551082.db2.gz JNQXELJXHIICMF-UHFFFAOYSA-N 1 1 342.414 3.069 50 0 EGAAMO Cc1ccc([C@H](CNC(=O)c2cc(-c3cccs3)on2)[NH+](C)C)o1 ZINC000015860399 453587407 /nfs/dbraw/zinc/58/74/07/453587407.db2.gz PPFXOFBYTWBHRR-ZDUSSCGKSA-N 1 1 345.424 3.337 50 0 EGAAMO Cc1ccc([C@H](CNC(=O)c2ccc(OC(C)C)cc2)[NH+](C)C)o1 ZINC000015860126 453587910 /nfs/dbraw/zinc/58/79/10/453587910.db2.gz DZECDWQWMDQENE-KRWDZBQOSA-N 1 1 330.428 3.408 50 0 EGAAMO O[C@H](C[NH+]1CCN(c2ccccc2F)CC1)c1ccc(Cl)cc1 ZINC000020218768 453662764 /nfs/dbraw/zinc/66/27/64/453662764.db2.gz AZNKSWRGKIDWOB-GOSISDBHSA-N 1 1 334.822 3.335 50 0 EGAAMO Cc1[nH+]ccn1-c1ccc(C(=O)Nc2ccc(C(F)(F)F)cc2)nn1 ZINC000075163844 453868541 /nfs/dbraw/zinc/86/85/41/453868541.db2.gz FFFZTSHKIRACGS-UHFFFAOYSA-N 1 1 347.300 3.242 50 0 EGAAMO Cc1cc(C(=O)NCCNc2[nH+]cccc2C)c2cccc(C)c2n1 ZINC000082097146 453923430 /nfs/dbraw/zinc/92/34/30/453923430.db2.gz WRAIEVJGLNARSM-UHFFFAOYSA-N 1 1 334.423 3.397 50 0 EGAAMO Cc1noc(C)c1[C@@H]1CCC[N@@H+]1Cc1cnn2c1nc(C)cc2C ZINC000067757717 453963516 /nfs/dbraw/zinc/96/35/16/453963516.db2.gz CRUUKSYLRIJURR-INIZCTEOSA-N 1 1 325.416 3.288 50 0 EGAAMO Cc1noc(C)c1[C@@H]1CCC[N@H+]1Cc1cnn2c1nc(C)cc2C ZINC000067757717 453963521 /nfs/dbraw/zinc/96/35/21/453963521.db2.gz CRUUKSYLRIJURR-INIZCTEOSA-N 1 1 325.416 3.288 50 0 EGAAMO CCc1[nH+]ccn1CCCNC(=O)c1cc(C)nc2ccc(C)cc21 ZINC000077284735 454085598 /nfs/dbraw/zinc/08/55/98/454085598.db2.gz XOOKGMYXYHAUOJ-UHFFFAOYSA-N 1 1 336.439 3.431 50 0 EGAAMO CCCCN1C[C@]2(CCC[N@@H+](Cc3cccc(C)n3)C2)CCC1=O ZINC000077356295 454096500 /nfs/dbraw/zinc/09/65/00/454096500.db2.gz WEKLSALDJQLVDF-HXUWFJFHSA-N 1 1 329.488 3.395 50 0 EGAAMO CC(=O)Nn1c(C)cc(C[N@H+]2CCC[C@H]2c2c(C)noc2C)c1C ZINC000071771508 454216796 /nfs/dbraw/zinc/21/67/96/454216796.db2.gz ATPJQLQRDFASGA-KRWDZBQOSA-N 1 1 330.432 3.137 50 0 EGAAMO CC(C)[N@H+]1CCC[C@H](C(=O)N2CC(Oc3ccccc3Cl)C2)C1 ZINC000095524846 454227499 /nfs/dbraw/zinc/22/74/99/454227499.db2.gz RIWOTXIUPGBRBD-AWEZNQCLSA-N 1 1 336.863 3.050 50 0 EGAAMO Cc1ccc([C@@H](CNC(=O)c2ccc(-c3cc[nH]n3)cc2)[NH+](C)C)o1 ZINC000091656947 454453980 /nfs/dbraw/zinc/45/39/80/454453980.db2.gz XINFKTJIGVQUTQ-QGZVFWFLSA-N 1 1 338.411 3.011 50 0 EGAAMO OCc1ccc(C[C@H]2CC[N@@H+](Cc3ccc4nsnc4c3)C2)cc1 ZINC000092022120 454504142 /nfs/dbraw/zinc/50/41/42/454504142.db2.gz XRQUNRIDRKYKDG-QGZVFWFLSA-N 1 1 339.464 3.248 50 0 EGAAMO COc1ccccc1[C@@H]1CCC[N@H+]1CCC(=O)Nc1nccs1 ZINC000065370568 454555420 /nfs/dbraw/zinc/55/54/20/454555420.db2.gz USOTUKRXGBKCJG-AWEZNQCLSA-N 1 1 331.441 3.317 50 0 EGAAMO COc1ccc(OCCC[N@@H+]2CCCC[C@H]2c2nc(C)no2)cc1 ZINC000285793619 455917545 /nfs/dbraw/zinc/91/75/45/455917545.db2.gz UWOZZEWOTWPYNM-KRWDZBQOSA-N 1 1 331.416 3.383 50 0 EGAAMO COc1ccc(OCCC[N@H+]2CCCC[C@H]2c2nc(C)no2)cc1 ZINC000285793619 455917551 /nfs/dbraw/zinc/91/75/51/455917551.db2.gz UWOZZEWOTWPYNM-KRWDZBQOSA-N 1 1 331.416 3.383 50 0 EGAAMO CCN(CC)Cc1cc(C(=O)NCC[C@@H]2CCCC[N@@H+]2C)c(C)o1 ZINC000220286005 456038446 /nfs/dbraw/zinc/03/84/46/456038446.db2.gz MRQSWYAGBKRUGX-INIZCTEOSA-N 1 1 335.492 3.034 50 0 EGAAMO CCN(CC)Cc1cc(C(=O)NCC[C@@H]2CCCC[N@H+]2C)c(C)o1 ZINC000220286005 456038448 /nfs/dbraw/zinc/03/84/48/456038448.db2.gz MRQSWYAGBKRUGX-INIZCTEOSA-N 1 1 335.492 3.034 50 0 EGAAMO Cc1ccc([C@@H](C(=O)N(Cc2nccs2)C2CC2)[NH+](C)C)cc1 ZINC000223632651 456058737 /nfs/dbraw/zinc/05/87/37/456058737.db2.gz AJAUCFBJBDZRBN-KRWDZBQOSA-N 1 1 329.469 3.245 50 0 EGAAMO O=C1CC[N@@H+](Cc2ccc(OC(F)(F)F)cc2)CCN1CC1CC1 ZINC000299774696 456780774 /nfs/dbraw/zinc/78/07/74/456780774.db2.gz ISQGVJPJCFFIRA-UHFFFAOYSA-N 1 1 342.361 3.030 50 0 EGAAMO Cc1cc(CN(C)C(=O)[C@H]2C[C@@H](c3ccccc3)[N@H+]3CCC[C@H]23)on1 ZINC000299774727 456781241 /nfs/dbraw/zinc/78/12/41/456781241.db2.gz FXECVHGBGKOWPA-OTWHNJEPSA-N 1 1 339.439 3.167 50 0 EGAAMO CO[C@]12CC[N@@H+](Cc3nc(C)ccc3O)[C@H]1C[C@H](OCC1CC1)CC2 ZINC000426474204 457836990 /nfs/dbraw/zinc/83/69/90/457836990.db2.gz HOMCIINKKNPYAN-LSTHTHJFSA-N 1 1 346.471 3.034 50 0 EGAAMO OCCn1ccc([C@@H]2CCC[N@@H+](Cc3cc4ccccc4o3)C2)n1 ZINC000426486105 457840325 /nfs/dbraw/zinc/84/03/25/457840325.db2.gz XVZUDWBHOANZSF-MRXNPFEDSA-N 1 1 325.412 3.001 50 0 EGAAMO C[N@H+]1CCC[C@@H]1CCNC(=O)c1ccc(-c2cccc(F)c2O)cc1 ZINC000426519277 457847537 /nfs/dbraw/zinc/84/75/37/457847537.db2.gz POPAYTBPAWTFQO-MRXNPFEDSA-N 1 1 342.414 3.412 50 0 EGAAMO Cc1nc(N2CC[C@@]3(C2)CCC[N@@H+](Cc2ccc(F)cc2)C3)no1 ZINC000426551753 457854793 /nfs/dbraw/zinc/85/47/93/457854793.db2.gz DWLQREXBFFORBQ-SFHVURJKSA-N 1 1 330.407 3.010 50 0 EGAAMO CN(Cc1cnc(-c2ccccc2)s1)C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000534648625 459341417 /nfs/dbraw/zinc/34/14/17/459341417.db2.gz LTASVOAGULFHSZ-HNNXBMFYSA-N 1 1 344.484 3.046 50 0 EGAAMO Cc1cc(-c2cccc(C(=O)NCCC[NH+]3CCOCC3)c2)cs1 ZINC000534654394 459342974 /nfs/dbraw/zinc/34/29/74/459342974.db2.gz JIBDTVRGEAONJT-UHFFFAOYSA-N 1 1 344.480 3.176 50 0 EGAAMO COCCCCCC(=O)N1C[C@H]2CC[C@H](C[N@@H+]2Cc2ccccc2)C1 ZINC000091289554 523108417 /nfs/dbraw/zinc/10/84/17/523108417.db2.gz IYZFCBWEOATIBC-WOJBJXKFSA-N 1 1 344.499 3.316 50 0 EGAAMO CCc1cccc(Cl)c1C[N@@H+]1CCC[C@H]([NH+](C)CC(=O)[O-])CC1 ZINC000263526967 535889206 /nfs/dbraw/zinc/88/92/06/535889206.db2.gz UMFZGXYOZIHQRX-HNNXBMFYSA-N 1 1 338.879 3.273 50 0 EGAAMO CCc1cccc(Cl)c1C[N@H+]1CCC[C@H]([NH+](C)CC(=O)[O-])CC1 ZINC000263526967 535889211 /nfs/dbraw/zinc/88/92/11/535889211.db2.gz UMFZGXYOZIHQRX-HNNXBMFYSA-N 1 1 338.879 3.273 50 0 EGAAMO CCc1cccc(Cl)c1C[NH+]1CCC[C@H]([N@H+](C)CC(=O)[O-])CC1 ZINC000263526967 535889213 /nfs/dbraw/zinc/88/92/13/535889213.db2.gz UMFZGXYOZIHQRX-HNNXBMFYSA-N 1 1 338.879 3.273 50 0 EGAAMO CCc1cccc(Cl)c1C[NH+]1CCC[C@H]([N@@H+](C)CC(=O)[O-])CC1 ZINC000263526967 535889216 /nfs/dbraw/zinc/88/92/16/535889216.db2.gz UMFZGXYOZIHQRX-HNNXBMFYSA-N 1 1 338.879 3.273 50 0 EGAAMO C[N@@H+](CCC(=O)Nc1ccccc1Cl)Cc1cnc2ccccn12 ZINC000244763789 536307670 /nfs/dbraw/zinc/30/76/70/536307670.db2.gz OVQSBAZRZRCFPC-UHFFFAOYSA-N 1 1 342.830 3.448 50 0 EGAAMO CCCn1cc(C[N@H+]2CCC[C@H](c3nnc4ccccn43)C2)c(C)n1 ZINC000670460731 548219051 /nfs/dbraw/zinc/21/90/51/548219051.db2.gz VRZBZVYPEABQLU-INIZCTEOSA-N 1 1 338.459 3.024 50 0 EGAAMO CC(C)NC(=O)NC[C@@H]1CCC[N@@H+](Cc2cccc3cccnc32)C1 ZINC000067696575 1292169559 /nfs/dbraw/zinc/16/95/59/1292169559.db2.gz ZNKSLGLLKLAKNO-INIZCTEOSA-N 1 1 340.471 3.154 50 0 EGAAMO CCc1cc(C[N@H+](C)Cc2cc(=O)n3c4c(cccc24)CCC3)on1 ZINC000067880666 1292176124 /nfs/dbraw/zinc/17/61/24/1292176124.db2.gz WBXSSFOEMJYXFK-UHFFFAOYSA-N 1 1 337.423 3.130 50 0 EGAAMO CCc1cc(C[N@@H+](C)Cc2cc(=O)n3c4c(cccc24)CCC3)on1 ZINC000067880666 1292176127 /nfs/dbraw/zinc/17/61/27/1292176127.db2.gz WBXSSFOEMJYXFK-UHFFFAOYSA-N 1 1 337.423 3.130 50 0 EGAAMO Cc1ccc(Cc2nn3c(nnc3[C@@H]3CCC[N@H+](C)C3)s2)cc1C ZINC000951727074 1334308437 /nfs/dbraw/zinc/30/84/37/1334308437.db2.gz YOFXRDYTYGEHHF-OAHLLOKOSA-N 1 1 341.484 3.203 50 0 EGAAMO CCCOc1ccc(NC(=O)[C@H]2CC[N@@H+](CCOC)C2)cc1Cl ZINC000952872909 1334584817 /nfs/dbraw/zinc/58/48/17/1334584817.db2.gz RKDGXQYZUSKSJX-ZDUSSCGKSA-N 1 1 340.851 3.036 50 0 EGAAMO CCCCc1nc(C[NH2+][C@H](C)CN2CCc3ccccc3C2)c[nH]1 ZINC000952986351 1334630870 /nfs/dbraw/zinc/63/08/70/1334630870.db2.gz GZLOWHKEXLIDGF-MRXNPFEDSA-N 1 1 326.488 3.289 50 0 EGAAMO COc1cccc(CCCNC(=O)[C@@H](c2ccccc2C)[NH+](C)C)c1 ZINC000952991707 1334631798 /nfs/dbraw/zinc/63/17/98/1334631798.db2.gz RPZYCTRYMOMQEA-HXUWFJFHSA-N 1 1 340.467 3.355 50 0 EGAAMO CCCn1ncc(C(=O)Nc2ccccc2Cn2cc[nH+]c2C)c1C ZINC000952989899 1334632217 /nfs/dbraw/zinc/63/22/17/1334632217.db2.gz PVVQAEJHPYSVDQ-UHFFFAOYSA-N 1 1 337.427 3.407 50 0 EGAAMO Cc1cc(C)c(C[N@H+](C)[C@@H]2C[C@@H]3C[C@H](O)C[C@@H]3C2)c(-n2cccn2)c1 ZINC001704097639 1416290411 /nfs/dbraw/zinc/29/04/11/1416290411.db2.gz VCSWVANGZOMAOX-QGFMHUBQSA-N 1 1 339.483 3.470 50 0 EGAAMO CC(C)C/C=C(\C[N@H+](CCO)Cc1cncn1C)c1ccccc1 ZINC001704312093 1416439027 /nfs/dbraw/zinc/43/90/27/1416439027.db2.gz ZIMNITZJASYNQU-VXLYETTFSA-N 1 1 327.472 3.344 50 0 EGAAMO CC(C)C/C=C(\C[N@@H+](CCO)Cc1cncn1C)c1ccccc1 ZINC001704312093 1416439028 /nfs/dbraw/zinc/43/90/28/1416439028.db2.gz ZIMNITZJASYNQU-VXLYETTFSA-N 1 1 327.472 3.344 50 0 EGAAMO COC[C@H](c1ccccn1)[N@H+](C)Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000055073108 214269019 /nfs/dbraw/zinc/26/90/19/214269019.db2.gz OXYSGOMVHIZYNE-GOSISDBHSA-N 1 1 340.402 3.430 50 0 EGAAMO COC[C@H](c1ccccn1)[N@@H+](C)Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000055073108 214269021 /nfs/dbraw/zinc/26/90/21/214269021.db2.gz OXYSGOMVHIZYNE-GOSISDBHSA-N 1 1 340.402 3.430 50 0 EGAAMO CNc1ncccc1C[N@H+](C)Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000055166957 214281271 /nfs/dbraw/zinc/28/12/71/214281271.db2.gz WXLNPZNAZPNSQE-UHFFFAOYSA-N 1 1 325.391 3.285 50 0 EGAAMO CNc1ncccc1C[N@@H+](C)Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000055166957 214281274 /nfs/dbraw/zinc/28/12/74/214281274.db2.gz WXLNPZNAZPNSQE-UHFFFAOYSA-N 1 1 325.391 3.285 50 0 EGAAMO C[N@H+]1CCCCC[C@@H]1C(=O)NCc1ccc(C(F)(F)F)cc1F ZINC000097776202 219056517 /nfs/dbraw/zinc/05/65/17/219056517.db2.gz FAGBCSXPHFJACF-CQSZACIVSA-N 1 1 332.341 3.335 50 0 EGAAMO CCCCc1cc2c(cc1NC(=O)C[NH+]1CCCCC1)OCCO2 ZINC000004286260 210162526 /nfs/dbraw/zinc/16/25/26/210162526.db2.gz LCEUTPRIMJMIPS-UHFFFAOYSA-N 1 1 332.444 3.225 50 0 EGAAMO COC(=O)c1c2c(sc1NC(=O)c1ccco1)C[N@H+](C(C)C)CC2 ZINC000004086940 210116411 /nfs/dbraw/zinc/11/64/11/210116411.db2.gz DTOGXWNAFZNWJP-UHFFFAOYSA-N 1 1 348.424 3.147 50 0 EGAAMO COC(=O)c1c2c(sc1NC(=O)c1ccco1)C[N@@H+](C(C)C)CC2 ZINC000004086940 210116414 /nfs/dbraw/zinc/11/64/14/210116414.db2.gz DTOGXWNAFZNWJP-UHFFFAOYSA-N 1 1 348.424 3.147 50 0 EGAAMO OCCC[N@H+]1CCc2[nH]nc(C(c3ccccc3)c3ccccc3)c2C1 ZINC000067489836 215153353 /nfs/dbraw/zinc/15/33/53/215153353.db2.gz WRFWPJMEZVKHKE-UHFFFAOYSA-N 1 1 347.462 3.330 50 0 EGAAMO OCCC[N@@H+]1CCc2n[nH]c(C(c3ccccc3)c3ccccc3)c2C1 ZINC000067489836 215153359 /nfs/dbraw/zinc/15/33/59/215153359.db2.gz WRFWPJMEZVKHKE-UHFFFAOYSA-N 1 1 347.462 3.330 50 0 EGAAMO OCCC[N@H+]1CCc2n[nH]c(C(c3ccccc3)c3ccccc3)c2C1 ZINC000067489836 215153361 /nfs/dbraw/zinc/15/33/61/215153361.db2.gz WRFWPJMEZVKHKE-UHFFFAOYSA-N 1 1 347.462 3.330 50 0 EGAAMO Cc1ccc(NC(=O)NC[C@H]2CCC[N@@H+](Cc3ccncc3)C2)cc1 ZINC000067688650 215183901 /nfs/dbraw/zinc/18/39/01/215183901.db2.gz FJQUWBCNHGVJMA-GOSISDBHSA-N 1 1 338.455 3.424 50 0 EGAAMO Cc1[nH+]ccn1[C@@H](C)C(=O)NCc1cc(-c2ccccc2Cl)on1 ZINC000067713082 215190332 /nfs/dbraw/zinc/19/03/32/215190332.db2.gz QWWPTSVLSOAGSS-NSHDSACASA-N 1 1 344.802 3.377 50 0 EGAAMO C[C@H](O)C[N@H+]1CCc2[nH]nc(-c3ccc(-c4ccccc4)cc3)c2C1 ZINC000067818757 215221014 /nfs/dbraw/zinc/22/10/14/215221014.db2.gz NXQNDOQDAVRJHN-HNNXBMFYSA-N 1 1 333.435 3.483 50 0 EGAAMO Cc1nc([C@@H](C)[N@H+](C)CCn2c3ccccc3oc2=O)c(C)s1 ZINC000067894596 215244538 /nfs/dbraw/zinc/24/45/38/215244538.db2.gz IPAPHSKLKUPQFV-LLVKDONJSA-N 1 1 331.441 3.361 50 0 EGAAMO Cc1nc([C@@H](C)[N@@H+](C)CCn2c3ccccc3oc2=O)c(C)s1 ZINC000067894596 215244547 /nfs/dbraw/zinc/24/45/47/215244547.db2.gz IPAPHSKLKUPQFV-LLVKDONJSA-N 1 1 331.441 3.361 50 0 EGAAMO Cc1ccc(-c2c[nH]nc2[C@@H]2CCC[N@H+](Cc3cnn(C)c3)C2)cc1 ZINC000067968057 215261891 /nfs/dbraw/zinc/26/18/91/215261891.db2.gz FBPQQVGUCWEJAV-GOSISDBHSA-N 1 1 335.455 3.498 50 0 EGAAMO Cc1ccc(C[N@@H+]2CCN(Cc3ccccc3Cl)C[C@H]2CCO)o1 ZINC000104361614 219378851 /nfs/dbraw/zinc/37/88/51/219378851.db2.gz HXNRWOIDVLXEBD-QGZVFWFLSA-N 1 1 348.874 3.310 50 0 EGAAMO Cc1ccc(C[N@H+]2CCN(Cc3ccccc3Cl)C[C@H]2CCO)o1 ZINC000104361614 219378856 /nfs/dbraw/zinc/37/88/56/219378856.db2.gz HXNRWOIDVLXEBD-QGZVFWFLSA-N 1 1 348.874 3.310 50 0 EGAAMO OCCOCC[N@H+]1CCC[C@@H](CCc2ccccc2C(F)(F)F)C1 ZINC000072121542 216013535 /nfs/dbraw/zinc/01/35/35/216013535.db2.gz FHMHRHMBNCDFCZ-HNNXBMFYSA-N 1 1 345.405 3.359 50 0 EGAAMO CCCCc1nc(Cl)c(C[NH2+][C@@H]2CC(=O)N(c3ccccc3)C2)[nH]1 ZINC000072137401 216024615 /nfs/dbraw/zinc/02/46/15/216024615.db2.gz DANHEZAZPYBBLC-CYBMUJFWSA-N 1 1 346.862 3.301 50 0 EGAAMO Cc1ccc([C@@H]2C[N@@H+](Cc3ccncc3)[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000072135552 216024651 /nfs/dbraw/zinc/02/46/51/216024651.db2.gz GHQVGTPEAKUWMS-BHDDXSALSA-N 1 1 333.479 3.452 50 0 EGAAMO Cc1ccc([C@@H]2CN(Cc3ccncc3)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000072135552 216024653 /nfs/dbraw/zinc/02/46/53/216024653.db2.gz GHQVGTPEAKUWMS-BHDDXSALSA-N 1 1 333.479 3.452 50 0 EGAAMO COc1cc2c(cc1C[N@H+]1CCCN(c3ccccc3)CC1)OCO2 ZINC000072150428 216037670 /nfs/dbraw/zinc/03/76/70/216037670.db2.gz ACORLQJNPSYRTR-UHFFFAOYSA-N 1 1 340.423 3.136 50 0 EGAAMO Cc1cc(-c2nn(C)c(Cl)c2C[NH+]2CC(c3cccnc3)C2)no1 ZINC000072154171 216044234 /nfs/dbraw/zinc/04/42/34/216044234.db2.gz HQNTYTVNAJANAU-UHFFFAOYSA-N 1 1 343.818 3.031 50 0 EGAAMO COC(=O)c1cc(C[N@@H+]2CCC[C@@H](OCc3cccnc3)C2)cs1 ZINC000072156508 216045837 /nfs/dbraw/zinc/04/58/37/216045837.db2.gz KNXAZSGYSDLPHC-MRXNPFEDSA-N 1 1 346.452 3.111 50 0 EGAAMO COC(=O)c1cc(C[N@H+]2CCC[C@@H](OCc3cccnc3)C2)cs1 ZINC000072156508 216045839 /nfs/dbraw/zinc/04/58/39/216045839.db2.gz KNXAZSGYSDLPHC-MRXNPFEDSA-N 1 1 346.452 3.111 50 0 EGAAMO CCN(CC)C(=O)C[N@H+]1CCC[C@H](CCc2ccc(F)cc2F)C1 ZINC000072167292 216058112 /nfs/dbraw/zinc/05/81/12/216058112.db2.gz ZCFFKZLKSKGDBP-OAHLLOKOSA-N 1 1 338.442 3.478 50 0 EGAAMO CC(C)c1nc2c(cnn2C)c(NCCC[N@H+]2CCC[C@H](C)C2)n1 ZINC000072168146 216059462 /nfs/dbraw/zinc/05/94/62/216059462.db2.gz XWFIBTHDXPRYSY-AWEZNQCLSA-N 1 1 330.480 3.021 50 0 EGAAMO O=C(C1CCOCC1)N1CCC[C@H]1[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000072280489 216108983 /nfs/dbraw/zinc/10/89/83/216108983.db2.gz AIVGRMJDKOEQFS-PMACEKPBSA-N 1 1 342.483 3.069 50 0 EGAAMO CCCCC[N@H+]1CCC[C@]2(CCC(=O)N(Cc3ccncc3)C2)C1 ZINC000072410271 216202520 /nfs/dbraw/zinc/20/25/20/216202520.db2.gz OURMPJSKMXABBV-FQEVSTJZSA-N 1 1 329.488 3.476 50 0 EGAAMO Cc1[nH+]ccn1C1(C(=O)[O-])CC[NH+](Cc2ccc3occc3c2)CC1 ZINC000072421346 216209007 /nfs/dbraw/zinc/20/90/07/216209007.db2.gz XYWCRBDEAXOHJB-UHFFFAOYSA-N 1 1 339.395 3.014 50 0 EGAAMO Cc1nc(C[NH+]2CCC([C@H](O)Cc3ccccc3)CC2)c2ccccn12 ZINC000072477510 216255673 /nfs/dbraw/zinc/25/56/73/216255673.db2.gz LLUZRMVABRXKDW-JOCHJYFZSA-N 1 1 349.478 3.458 50 0 EGAAMO COc1ccc(Nc2ncc(C[N@@H+](C)CCn3ccnc3)s2)cc1 ZINC000023339444 212369605 /nfs/dbraw/zinc/36/96/05/212369605.db2.gz RQWIOTXJNYIVPP-UHFFFAOYSA-N 1 1 343.456 3.224 50 0 EGAAMO CCn1cc(CN(C)[C@H]2CCC[N@@H+](CCc3ccccc3)C2)cn1 ZINC000022926256 212336648 /nfs/dbraw/zinc/33/66/48/212336648.db2.gz SBFCZWFGVUYBGD-FQEVSTJZSA-N 1 1 326.488 3.042 50 0 EGAAMO CSc1ccc2c(c1)CC[N@@H+](CCn1c3ccccc3oc1=O)C2 ZINC000215787358 241145916 /nfs/dbraw/zinc/14/59/16/241145916.db2.gz YFSHDSSUXSMMJW-UHFFFAOYSA-N 1 1 340.448 3.375 50 0 EGAAMO CSc1ccc2c(c1)CC[N@H+](CCn1c3ccccc3oc1=O)C2 ZINC000215787358 241145920 /nfs/dbraw/zinc/14/59/20/241145920.db2.gz YFSHDSSUXSMMJW-UHFFFAOYSA-N 1 1 340.448 3.375 50 0 EGAAMO c1c(C[NH+]2CCC(Oc3ncccn3)CC2)onc1-c1ccccc1 ZINC000215574365 241133531 /nfs/dbraw/zinc/13/35/31/241133531.db2.gz DBEJMBJHSZIFML-UHFFFAOYSA-N 1 1 336.395 3.175 50 0 EGAAMO Cc1ccc2nc(SCCC(=O)N[C@@H]3CC[N@H+](C)C3)cc(C)c2c1 ZINC000219474408 241389014 /nfs/dbraw/zinc/38/90/14/241389014.db2.gz KXUJTHSDCJWHCH-OAHLLOKOSA-N 1 1 343.496 3.154 50 0 EGAAMO OCC[C@H]1CN(Cc2c[nH]c3ccccc23)CC[N@H+]1C1CCCCC1 ZINC000020992111 212195025 /nfs/dbraw/zinc/19/50/25/212195025.db2.gz VITRYXONMZTMRN-IBGZPJMESA-N 1 1 341.499 3.369 50 0 EGAAMO OCC[C@@H]1C[N@@H+](CCCc2ccccc2)CCN1Cc1cccs1 ZINC000020909134 212186009 /nfs/dbraw/zinc/18/60/09/212186009.db2.gz UKLXBPXLACMUGV-LJQANCHMSA-N 1 1 344.524 3.250 50 0 EGAAMO OCC[C@@H]1CN(CCCc2ccccc2)CC[N@@H+]1Cc1cccs1 ZINC000020909134 212186012 /nfs/dbraw/zinc/18/60/12/212186012.db2.gz UKLXBPXLACMUGV-LJQANCHMSA-N 1 1 344.524 3.250 50 0 EGAAMO OCC[C@@H]1CN(CCCc2ccccc2)CC[N@H+]1Cc1cccs1 ZINC000020909134 212186016 /nfs/dbraw/zinc/18/60/16/212186016.db2.gz UKLXBPXLACMUGV-LJQANCHMSA-N 1 1 344.524 3.250 50 0 EGAAMO Cc1cccn2cc(C[NH+]3CCC(O)(c4ccc(F)cc4)CC3)nc12 ZINC000244874602 243095852 /nfs/dbraw/zinc/09/58/52/243095852.db2.gz XEAKGNLDURTTEM-UHFFFAOYSA-N 1 1 339.414 3.265 50 0 EGAAMO CC(C)Nc1ccc(C(=O)N2CCC[N@H+](C3CCCCC3)CC2)cn1 ZINC000020202202 212110805 /nfs/dbraw/zinc/11/08/05/212110805.db2.gz NSEUBLCMENJLDF-UHFFFAOYSA-N 1 1 344.503 3.383 50 0 EGAAMO COc1ccc(F)c(F)c1C[NH+]1CCC(CCn2cccn2)CC1 ZINC000077343236 216876974 /nfs/dbraw/zinc/87/69/74/216876974.db2.gz SFWSSNKQMWVVNL-UHFFFAOYSA-N 1 1 335.398 3.472 50 0 EGAAMO O=C(CCCOc1ccccc1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019940107 212088604 /nfs/dbraw/zinc/08/86/04/212088604.db2.gz ZPXHNRORKHLMKB-UHFFFAOYSA-N 1 1 338.451 3.190 50 0 EGAAMO Brc1cccc(CN2CC[NH+](Cc3ccncc3)CC2)c1 ZINC000019904712 212082061 /nfs/dbraw/zinc/08/20/61/212082061.db2.gz WTHSVRXBIIBLSR-UHFFFAOYSA-N 1 1 346.272 3.162 50 0 EGAAMO COc1ccccc1C(=S)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019842620 212075164 /nfs/dbraw/zinc/07/51/64/212075164.db2.gz UFSHRGIVIYAMAA-UHFFFAOYSA-N 1 1 326.465 3.189 50 0 EGAAMO COc1ccc(C[NH+]2CCN(Cc3ccccc3OC)CC2)cc1 ZINC000019555380 212041734 /nfs/dbraw/zinc/04/17/34/212041734.db2.gz PQJMIASCHOHKBU-UHFFFAOYSA-N 1 1 326.440 3.022 50 0 EGAAMO COc1ccc(CN2CC[NH+](Cc3ccccc3OC)CC2)cc1 ZINC000019555380 212041738 /nfs/dbraw/zinc/04/17/38/212041738.db2.gz PQJMIASCHOHKBU-UHFFFAOYSA-N 1 1 326.440 3.022 50 0 EGAAMO OCC[C@@H]1CN(Cc2ccccc2F)CC[N@@H+]1Cc1ccc(F)cc1 ZINC000019537273 212041487 /nfs/dbraw/zinc/04/14/87/212041487.db2.gz OVAQHYQMBABNRC-LJQANCHMSA-N 1 1 346.421 3.034 50 0 EGAAMO OCC[C@@H]1CN(Cc2ccccc2F)CC[N@H+]1Cc1ccc(F)cc1 ZINC000019537273 212041490 /nfs/dbraw/zinc/04/14/90/212041490.db2.gz OVAQHYQMBABNRC-LJQANCHMSA-N 1 1 346.421 3.034 50 0 EGAAMO Cn1cc(CN2CC[N@@H+](CC(C)(C)C)[C@@H](CCO)C2)c2ccccc21 ZINC000019224018 212006562 /nfs/dbraw/zinc/00/65/62/212006562.db2.gz QIXYCRHQGZCCGT-SFHVURJKSA-N 1 1 343.515 3.093 50 0 EGAAMO O=C(/C=C/c1ccncc1)N[C@H]1CCC[N@@H+](CCCc2ccccc2)C1 ZINC000012448633 211387569 /nfs/dbraw/zinc/38/75/69/211387569.db2.gz TVJYKWVVQYAYGH-ZJVMWOEPSA-N 1 1 349.478 3.308 50 0 EGAAMO COc1ccc(CC[C@H]2CCC[N@H+](C3CCN(C(C)=O)CC3)C2)cc1 ZINC000012454284 211386904 /nfs/dbraw/zinc/38/69/04/211386904.db2.gz IDEKKDHFHPTEPC-LJQANCHMSA-N 1 1 344.499 3.351 50 0 EGAAMO C[C@@H]1C[C@H](C)C[N@H+](C[C@@H](O)COc2ccc(Br)cc2)C1 ZINC000012377831 211360685 /nfs/dbraw/zinc/36/06/85/211360685.db2.gz CPFQUQPPMDHFQO-VNHYZAJKSA-N 1 1 342.277 3.167 50 0 EGAAMO COc1ccc(F)cc1C(=O)[C@H]1CCC[N@H+](Cc2ccccn2)C1 ZINC000012308479 211342139 /nfs/dbraw/zinc/34/21/39/211342139.db2.gz PVWNVEXISKPVTH-AWEZNQCLSA-N 1 1 328.387 3.324 50 0 EGAAMO COc1ccc(F)cc1C(=O)[C@H]1CCC[N@@H+](Cc2ccccn2)C1 ZINC000012308479 211342142 /nfs/dbraw/zinc/34/21/42/211342142.db2.gz PVWNVEXISKPVTH-AWEZNQCLSA-N 1 1 328.387 3.324 50 0 EGAAMO Cc1ccc(C[N@H+]2CCC[C@@H](CNC(=O)c3ccc(F)cc3)C2)o1 ZINC000012004039 211279897 /nfs/dbraw/zinc/27/98/97/211279897.db2.gz DMJFDHCVJRCRLC-HNNXBMFYSA-N 1 1 330.403 3.369 50 0 EGAAMO Cc1cccc(-c2ccc(C[N@@H+]3C[C@H](CO)[C@H](CN(C)C)C3)cc2)c1 ZINC000091416990 218003161 /nfs/dbraw/zinc/00/31/61/218003161.db2.gz SXXBMMOORKYDLP-FGZHOGPDSA-N 1 1 338.495 3.264 50 0 EGAAMO Cc1cccc(-c2ccc(C[N@H+]3C[C@H](CO)[C@H](CN(C)C)C3)cc2)c1 ZINC000091416990 218003164 /nfs/dbraw/zinc/00/31/64/218003164.db2.gz SXXBMMOORKYDLP-FGZHOGPDSA-N 1 1 338.495 3.264 50 0 EGAAMO Cc1cccc(-c2ccc(CN3C[C@H](CO)[C@H](C[NH+](C)C)C3)cc2)c1 ZINC000091416990 218003167 /nfs/dbraw/zinc/00/31/67/218003167.db2.gz SXXBMMOORKYDLP-FGZHOGPDSA-N 1 1 338.495 3.264 50 0 EGAAMO c1cc(C[N@H+]2CCC[C@H](Nc3ccccc3)C2)n(-c2ncccn2)c1 ZINC000011820730 211252017 /nfs/dbraw/zinc/25/20/17/211252017.db2.gz RIUXEURSCNFYEC-SFHVURJKSA-N 1 1 333.439 3.344 50 0 EGAAMO CCCCc1nc(Cl)c(C[N@@H+]2CC[C@@](O)(C3CC3)[C@H](C)C2)[nH]1 ZINC000091519426 218017093 /nfs/dbraw/zinc/01/70/93/218017093.db2.gz IWWURCJCMAZSOM-PXAZEXFGSA-N 1 1 325.884 3.389 50 0 EGAAMO CCCCc1nc(Cl)c(C[N@H+]2CC[C@@](O)(C3CC3)[C@H](C)C2)[nH]1 ZINC000091519426 218017094 /nfs/dbraw/zinc/01/70/94/218017094.db2.gz IWWURCJCMAZSOM-PXAZEXFGSA-N 1 1 325.884 3.389 50 0 EGAAMO C[NH+](C)[C@H](C(=O)NCc1ccc2[nH]ccc2c1)c1ccc(F)cc1 ZINC000091551815 218021781 /nfs/dbraw/zinc/02/17/81/218021781.db2.gz VMOHWYKSPBTIRT-SFHVURJKSA-N 1 1 325.387 3.226 50 0 EGAAMO Cc1cccc([C@H](C(=O)N(Cc2cnn(C)c2)CC(C)C)[NH+](C)C)c1 ZINC000091586458 218025758 /nfs/dbraw/zinc/02/57/58/218025758.db2.gz QMCKLVLIIBVJOC-LJQANCHMSA-N 1 1 342.487 3.016 50 0 EGAAMO O=C(N[C@@H]1CCC[N@@H+](CC2CCCCC2)C1)c1cc(C2CC2)on1 ZINC000011774847 211246000 /nfs/dbraw/zinc/24/60/00/211246000.db2.gz GMFPXAHVUIRZCO-MRXNPFEDSA-N 1 1 331.460 3.327 50 0 EGAAMO O=C(/C=C/c1cccnc1)N[C@H]1CCC[N@@H+](Cc2ccccc2F)C1 ZINC000011667946 211233821 /nfs/dbraw/zinc/23/38/21/211233821.db2.gz KDXVINCQQXMHRR-BBVFFXRHSA-N 1 1 339.414 3.015 50 0 EGAAMO O=C(/C=C/c1cccnc1)N[C@H]1CCC[N@H+](Cc2ccccc2F)C1 ZINC000011667946 211233824 /nfs/dbraw/zinc/23/38/24/211233824.db2.gz KDXVINCQQXMHRR-BBVFFXRHSA-N 1 1 339.414 3.015 50 0 EGAAMO Cc1ccc(C[N@H+]2C[C@H]3CC[C@@H]2CN(C(=O)c2cccnc2)C3)s1 ZINC000091849294 218076974 /nfs/dbraw/zinc/07/69/74/218076974.db2.gz KXVWVZSHKXSBFY-NVXWUHKLSA-N 1 1 341.480 3.188 50 0 EGAAMO Cc1ccc([C@H](CNC(=O)c2c[nH]nc2C2CCCCC2)[NH+](C)C)o1 ZINC000091849412 218077538 /nfs/dbraw/zinc/07/75/38/218077538.db2.gz QASFHLSXQREWGW-INIZCTEOSA-N 1 1 344.459 3.392 50 0 EGAAMO COCC[C@@]1(CO)CCC[N@@H+](Cc2c[nH]nc2C2CCCCC2)C1 ZINC000091872761 218081707 /nfs/dbraw/zinc/08/17/07/218081707.db2.gz FROBIATYOGETQH-IBGZPJMESA-N 1 1 335.492 3.068 50 0 EGAAMO CCn1nc(CC(C)C)cc1C(=O)N(C)CC[N@@H+](C)C1CCCC1 ZINC000091892547 218084849 /nfs/dbraw/zinc/08/48/49/218084849.db2.gz DECBTFNLINJJFK-UHFFFAOYSA-N 1 1 334.508 3.048 50 0 EGAAMO C[C@@H]1C[N@@H+](Cc2cc(C(N)=O)oc2C(C)(C)C)CC[C@@]1(O)C1CCC1 ZINC000092028871 218106265 /nfs/dbraw/zinc/10/62/65/218106265.db2.gz JLYOTVJXVQXTMB-XCLFUZPHSA-N 1 1 348.487 3.049 50 0 EGAAMO O=C(c1ccccn1)N1C[C@H]2CC[C@@H]1C[N@@H+](CCCc1ccccc1)C2 ZINC000092062401 218111936 /nfs/dbraw/zinc/11/19/36/218111936.db2.gz ZKCAFKIBTGTCBZ-VQTJNVASSA-N 1 1 349.478 3.251 50 0 EGAAMO C[NH+](C)[C@H](C(=O)N1CCC(c2ccncc2)CC1)c1cccc(F)c1 ZINC000095366402 218299466 /nfs/dbraw/zinc/29/94/66/218299466.db2.gz BYFQFYONCIQOES-IBGZPJMESA-N 1 1 341.430 3.230 50 0 EGAAMO CCC[N@H+]1C[C@H]2CC[C@@H]1CN(Cc1cnn(-c3ccccc3C)c1)C2 ZINC000095368176 218300672 /nfs/dbraw/zinc/30/06/72/218300672.db2.gz YXUMSQMVROIVMW-AZUAARDMSA-N 1 1 338.499 3.487 50 0 EGAAMO CSc1ncccc1C(=O)N1C[C@H]2CC[C@H](C[N@@H+]2CC2CCC2)C1 ZINC000095364535 218298110 /nfs/dbraw/zinc/29/81/10/218298110.db2.gz FZNAYMGJSGLPQB-HZPDHXFCSA-N 1 1 345.512 3.140 50 0 EGAAMO Cn1nc(CNC(=O)CC[C@@H]2CCCC[N@H+]2C)c2c1cccc2Cl ZINC000095385573 218316557 /nfs/dbraw/zinc/31/65/57/218316557.db2.gz HOMFONZNNLDCDY-ZDUSSCGKSA-N 1 1 348.878 3.107 50 0 EGAAMO CSCC(=O)N1CCC2(CC1)C[C@@H](c1ccccc1)C[N@@H+](C)C2 ZINC000096139821 218623227 /nfs/dbraw/zinc/62/32/27/218623227.db2.gz DCHISBGNHRIWIF-QGZVFWFLSA-N 1 1 332.513 3.078 50 0 EGAAMO CCOc1cc(C[N@H+]2CCC[C@H](C(=O)N(CC)CC)C2)ccc1OC ZINC000004990294 210352200 /nfs/dbraw/zinc/35/22/00/210352200.db2.gz FLWAOMRIUJJCNK-KRWDZBQOSA-N 1 1 348.487 3.174 50 0 EGAAMO COc1ccc(C[N@H+]2CC[C@](O)(c3ccccc3)C2)c(Cl)c1OC ZINC000097594806 219036904 /nfs/dbraw/zinc/03/69/04/219036904.db2.gz VFKNZPZQOFLBTQ-LJQANCHMSA-N 1 1 347.842 3.451 50 0 EGAAMO c1cnn(CC[NH+]2CCC(c3cc(Cc4ccccc4)[nH]n3)CC2)c1 ZINC000299784860 258092438 /nfs/dbraw/zinc/09/24/38/258092438.db2.gz KZTRMKABDIWXSV-UHFFFAOYSA-N 1 1 335.455 3.077 50 0 EGAAMO CCCSCCNC(=O)[C@H]1C[C@@H](c2ccccc2)[N@H+]2CCC[C@H]12 ZINC000299789592 258095506 /nfs/dbraw/zinc/09/55/06/258095506.db2.gz XTTWMEUSRSFKNK-KSZLIROESA-N 1 1 332.513 3.471 50 0 EGAAMO COc1ccc(-n2ccnc2C[N@@H+](C)CCC[C@@H]2CCCO2)cc1 ZINC000216024684 258072339 /nfs/dbraw/zinc/07/23/39/258072339.db2.gz BFBLKIRWXKHYSQ-GOSISDBHSA-N 1 1 329.444 3.272 50 0 EGAAMO CO[C@]12CC[N@@H+](Cc3cccc(OC(F)(F)F)c3)[C@H]1C[C@H](O)CC2 ZINC000299755649 258074015 /nfs/dbraw/zinc/07/40/15/258074015.db2.gz BHBCBDYFUVOFIM-VNQPRFMTSA-N 1 1 345.361 3.090 50 0 EGAAMO COc1ccccc1/C=C/C[N@@H+]1CC[C@]2(OC)CC[C@@H](OC)C[C@H]12 ZINC000299766907 258081524 /nfs/dbraw/zinc/08/15/24/258081524.db2.gz CMXOPNAJWQKWRE-UZPPOTPASA-N 1 1 331.456 3.367 50 0 EGAAMO COc1c2c(cc3c1[C@H](c1c[nH]c4ccccc41)[N@H+](C)CC3)OCO2 ZINC000000525734 286188508 /nfs/dbraw/zinc/18/85/08/286188508.db2.gz AHATZUWZJCUFCV-SFHVURJKSA-N 1 1 336.391 3.483 50 0 biogenic EGAAMO COc1c2c(cc3c1[C@H](c1c[nH]c4ccccc41)[N@@H+](C)CC3)OCO2 ZINC000000525734 286188511 /nfs/dbraw/zinc/18/85/11/286188511.db2.gz AHATZUWZJCUFCV-SFHVURJKSA-N 1 1 336.391 3.483 50 0 biogenic EGAAMO COc1c2c(cc3c1[C@@H](n1ccc4ccccc41)[N@@H+](C)CC3)OCO2 ZINC000020111827 286188665 /nfs/dbraw/zinc/18/86/65/286188665.db2.gz GCFFMCJNDXSLLS-HXUWFJFHSA-N 1 1 336.391 3.413 50 0 biogenic EGAAMO COc1cccc([C@@H]2CCCCN2C(=O)CCn2cc[nH+]c2C)c1 ZINC000077505055 286462976 /nfs/dbraw/zinc/46/29/76/286462976.db2.gz BPSCWCDPWISEHE-SFHVURJKSA-N 1 1 327.428 3.344 50 0 EGAAMO C[C@@H](C[N@@H+](C)Cc1ccc2cccc(Cl)c2n1)N1CCOCC1 ZINC000220150320 278240691 /nfs/dbraw/zinc/24/06/91/278240691.db2.gz MZMLOKUIPLQOPV-AWEZNQCLSA-N 1 1 333.863 3.041 50 0 EGAAMO Cc1noc(C)c1CCC(=O)N1CCCC[C@H]1CCn1cc[nH+]c1C ZINC000082086608 279248138 /nfs/dbraw/zinc/24/81/38/279248138.db2.gz NNDUXTSHBJIZMT-KRWDZBQOSA-N 1 1 344.459 3.200 50 0 EGAAMO Cc1ccc(N2C(=O)[C@H](C[NH+]3CCOCC3)[C@H]2c2ccccc2)cc1 ZINC000020389777 280861159 /nfs/dbraw/zinc/86/11/59/280861159.db2.gz XFGAVBLXVPVPTH-WOJBJXKFSA-N 1 1 336.435 3.031 50 0 EGAAMO Cc1[nH+]cn(CC(=O)N(C)C[C@@]2(c3ccccc3)CC2(C)C)c1C ZINC000240228074 455263753 /nfs/dbraw/zinc/26/37/53/455263753.db2.gz KFSKVZLJHDGJMA-HXUWFJFHSA-N 1 1 325.456 3.326 50 0 EGAAMO CC(C)c1cc(C[N@H+]2CCc3nnc(-c4ccccc4)n3CC2)on1 ZINC000244866387 455276787 /nfs/dbraw/zinc/27/67/87/455276787.db2.gz VVJKIRHTJYUWDG-UHFFFAOYSA-N 1 1 337.427 3.115 50 0 EGAAMO CC(C)c1cc(C[N@@H+]2CCc3nnc(-c4ccccc4)n3CC2)on1 ZINC000244866387 455276793 /nfs/dbraw/zinc/27/67/93/455276793.db2.gz VVJKIRHTJYUWDG-UHFFFAOYSA-N 1 1 337.427 3.115 50 0 EGAAMO COc1ccc(C[N@H+]2CCCC[C@@H]2CCO)cc1Br ZINC000000209856 452537474 /nfs/dbraw/zinc/53/74/74/452537474.db2.gz MRTKNZJFLHZKJY-CYBMUJFWSA-N 1 1 328.250 3.195 50 0 EGAAMO Cc1c(C[N@@H+](C)CCc2ccccc2)c(=O)n(-c2ccccc2)n1C ZINC000000218983 452538809 /nfs/dbraw/zinc/53/88/09/452538809.db2.gz GUZUAIAOPVUQRY-UHFFFAOYSA-N 1 1 335.451 3.159 50 0 EGAAMO CCOC(=O)C1CC[NH+](Cc2cccc(Br)c2)CC1 ZINC000000239708 452543524 /nfs/dbraw/zinc/54/35/24/452543524.db2.gz KBJIAWWXYZSWSA-UHFFFAOYSA-N 1 1 326.234 3.224 50 0 EGAAMO C[C@@H]1C[C@H](C)C[N@H+](CC(=O)N2CCc3[nH]c4ccccc4c3C2)C1 ZINC000000549253 452621188 /nfs/dbraw/zinc/62/11/88/452621188.db2.gz CZYMHGWYHILMFZ-GASCZTMLSA-N 1 1 325.456 3.031 50 0 EGAAMO CCc1ccc(Nc2nc(N)nc(C[NH+]3CCCCCC3)n2)cc1 ZINC000007496388 453082172 /nfs/dbraw/zinc/08/21/72/453082172.db2.gz VWMLGJFIDYDNGI-UHFFFAOYSA-N 1 1 326.448 3.136 50 0 EGAAMO CCCNC(=O)N(C)C[C@@H]1CCC[N@@H+](CCc2ccc(F)cc2)C1 ZINC000012703603 453393675 /nfs/dbraw/zinc/39/36/75/453393675.db2.gz BUGMRUYRRPCDEH-KRWDZBQOSA-N 1 1 335.467 3.132 50 0 EGAAMO CCC[NH+]1CCN(C(=O)c2cc(Br)c(CC)s2)CC1 ZINC000013328038 453459079 /nfs/dbraw/zinc/45/90/79/453459079.db2.gz KUTZAULSEKXSIP-UHFFFAOYSA-N 1 1 345.306 3.241 50 0 EGAAMO COc1ccc(CN2CC[N@H+](Cc3ccc(F)cc3)CCC2=O)cc1 ZINC000014981631 453550814 /nfs/dbraw/zinc/55/08/14/453550814.db2.gz YQNKZJAECJSQHD-UHFFFAOYSA-N 1 1 342.414 3.069 50 0 EGAAMO COc1ccc(CN2CC[N@@H+](Cc3ccc(F)cc3)CCC2=O)cc1 ZINC000014981631 453550818 /nfs/dbraw/zinc/55/08/18/453550818.db2.gz YQNKZJAECJSQHD-UHFFFAOYSA-N 1 1 342.414 3.069 50 0 EGAAMO C[C@@H]1C[N@H+](CCCOc2ccccc2Br)C[C@H](C)O1 ZINC000016247527 453598559 /nfs/dbraw/zinc/59/85/59/453598559.db2.gz GWTQPPDNBSYBSA-BETUJISGSA-N 1 1 328.250 3.327 50 0 EGAAMO CN(C[C@H]1Cc2ccccc2C[N@H+]1C)C(=O)c1ccn(C(C)(C)C)c1 ZINC000082096770 453922830 /nfs/dbraw/zinc/92/28/30/453922830.db2.gz LJECOKBDNAKNIX-LJQANCHMSA-N 1 1 339.483 3.372 50 0 EGAAMO CSCc1ccc(N2CCC([N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)nc1 ZINC000082134729 453925921 /nfs/dbraw/zinc/92/59/21/453925921.db2.gz FDXZJRVFIWDYJO-GASCZTMLSA-N 1 1 335.517 3.023 50 0 EGAAMO CC[C@@H]1CN(C(=O)c2ccccc2N2CCCC2)CC[N@H+]1C(C)C ZINC000082160784 453927345 /nfs/dbraw/zinc/92/73/45/453927345.db2.gz DRMULJCRHOFELA-QGZVFWFLSA-N 1 1 329.488 3.232 50 0 EGAAMO CCc1[nH+]ccn1CCNC(=O)c1cc(C)nc2ccc(CC)cc21 ZINC000077340956 454093845 /nfs/dbraw/zinc/09/38/45/454093845.db2.gz LAYWFEVZXLFITI-UHFFFAOYSA-N 1 1 336.439 3.295 50 0 EGAAMO CC[C@@H]1CN(C(=O)c2ccc(-c3cc[nH]n3)cc2)CC[N@H+]1C(C)C ZINC000077376194 454099705 /nfs/dbraw/zinc/09/97/05/454099705.db2.gz IMXWLWIKRUDWEG-QGZVFWFLSA-N 1 1 326.444 3.022 50 0 EGAAMO C[N@@H+](Cc1cc(-c2ccccc2)n[nH]1)[C@@H]1CCOC2(CCOCC2)C1 ZINC000077387882 454101160 /nfs/dbraw/zinc/10/11/60/454101160.db2.gz LAFJTAWDMAQAPJ-GOSISDBHSA-N 1 1 341.455 3.237 50 0 EGAAMO Cc1ccccc1[C@@H]1CC[N@H+](CCNC(=O)c2cc(C(C)C)on2)C1 ZINC000077419235 454104783 /nfs/dbraw/zinc/10/47/83/454104783.db2.gz KNDUFQCDUITXOY-MRXNPFEDSA-N 1 1 341.455 3.326 50 0 EGAAMO Fc1cccc(-n2cc(CN3CCC[N@H+](C4CCCC4)CC3)cn2)c1 ZINC000077470581 454109734 /nfs/dbraw/zinc/10/97/34/454109734.db2.gz YOVKFRBZPRBRCN-UHFFFAOYSA-N 1 1 342.462 3.462 50 0 EGAAMO Cc1ccncc1C(=O)N1C[C@H]2CC[C@H](C[N@@H+]2Cc2ccccc2)C1 ZINC000095366757 454198883 /nfs/dbraw/zinc/19/88/83/454198883.db2.gz DOLJVCLLEZBJNO-RTBURBONSA-N 1 1 335.451 3.127 50 0 EGAAMO COc1ccc(F)c(-c2nc(C[N@H+](C)C[C@@H]3CCCO3)c(C)o2)c1 ZINC000071715138 454211746 /nfs/dbraw/zinc/21/17/46/454211746.db2.gz QMUGHHFXZYJWLG-AWEZNQCLSA-N 1 1 334.391 3.409 50 0 EGAAMO COc1ccc(F)c(-c2nc(C[N@@H+](C)C[C@@H]3CCCO3)c(C)o2)c1 ZINC000071715138 454211749 /nfs/dbraw/zinc/21/17/49/454211749.db2.gz QMUGHHFXZYJWLG-AWEZNQCLSA-N 1 1 334.391 3.409 50 0 EGAAMO Cc1cccc(C(=O)N2CCC[N@@H+](CC3CC3)[C@@H](C(C)C)C2)c1O ZINC000071747331 454212223 /nfs/dbraw/zinc/21/22/23/454212223.db2.gz YVEZRZBBLHZZRR-GOSISDBHSA-N 1 1 330.472 3.283 50 0 EGAAMO Cc1ccc(C(=O)N2CCC[N@@H+](CC3CC3)[C@@H](C(C)C)C2)cc1O ZINC000071751152 454213335 /nfs/dbraw/zinc/21/33/35/454213335.db2.gz JWTRGDFZICTUCM-GOSISDBHSA-N 1 1 330.472 3.283 50 0 EGAAMO O=C(C[N@@H+]1CCC[C@H](C(=O)c2cccc3ccccc32)C1)NC1CC1 ZINC000071751491 454214818 /nfs/dbraw/zinc/21/48/18/454214818.db2.gz AKFOYBRCWXRNKK-INIZCTEOSA-N 1 1 336.435 3.013 50 0 EGAAMO O=C(C[N@H+]1CCC[C@H](C(=O)c2cccc3ccccc32)C1)NC1CC1 ZINC000071751491 454214823 /nfs/dbraw/zinc/21/48/23/454214823.db2.gz AKFOYBRCWXRNKK-INIZCTEOSA-N 1 1 336.435 3.013 50 0 EGAAMO COc1ccc(OC)c(-c2nc(C[N@H+]3CCC[C@H](OC)C3)c(C)o2)c1 ZINC000071771665 454216542 /nfs/dbraw/zinc/21/65/42/454216542.db2.gz JXMXHNIAJSJCSF-HNNXBMFYSA-N 1 1 346.427 3.278 50 0 EGAAMO COc1ccc(OC)c(-c2nc(C[N@@H+]3CCC[C@H](OC)C3)c(C)o2)c1 ZINC000071771665 454216544 /nfs/dbraw/zinc/21/65/44/454216544.db2.gz JXMXHNIAJSJCSF-HNNXBMFYSA-N 1 1 346.427 3.278 50 0 EGAAMO CC(=O)Nn1c(C)cc(C[N@H+]2CCC[C@@H]2c2c(C)noc2C)c1C ZINC000071771506 454217186 /nfs/dbraw/zinc/21/71/86/454217186.db2.gz ATPJQLQRDFASGA-QGZVFWFLSA-N 1 1 330.432 3.137 50 0 EGAAMO CCC[C@@H]1C[N@H+](Cc2cn(C)nc2-c2ccccc2)C[C@H]1N(C)C ZINC000095502462 454222806 /nfs/dbraw/zinc/22/28/06/454222806.db2.gz HECMAPYFATXWBV-IEBWSBKVSA-N 1 1 326.488 3.249 50 0 EGAAMO CCC[C@@H]1C[N@@H+](Cc2cn(C)nc2-c2ccccc2)C[C@H]1N(C)C ZINC000095502462 454222811 /nfs/dbraw/zinc/22/28/11/454222811.db2.gz HECMAPYFATXWBV-IEBWSBKVSA-N 1 1 326.488 3.249 50 0 EGAAMO Cn1cc(CC(=O)NC[C@@H]2CCC[N@H+]3CCCC[C@H]23)c2ccccc21 ZINC000079188568 454379438 /nfs/dbraw/zinc/37/94/38/454379438.db2.gz AGSJBISGMNWMFR-QFBILLFUSA-N 1 1 339.483 3.102 50 0 biogenic EGAAMO Cc1ncsc1CN(Cc1ccccc1)C(=O)C[C@H]1CCC[N@@H+]1C ZINC000097088247 454404147 /nfs/dbraw/zinc/40/41/47/454404147.db2.gz XJUWQHSEUHCMLA-QGZVFWFLSA-N 1 1 343.496 3.465 50 0 EGAAMO CCc1noc(C)c1C(=O)NCC[N@H+]1CCC[C@H](c2ccccc2)C1 ZINC000097137369 454414331 /nfs/dbraw/zinc/41/43/31/454414331.db2.gz QZEOQNLQLRZULX-KRWDZBQOSA-N 1 1 341.455 3.155 50 0 EGAAMO Cn1ccnc1CN1CCC2(CC1)C[C@@H](c1ccccc1)C[N@@H+](C)C2 ZINC000091321715 454428071 /nfs/dbraw/zinc/42/80/71/454428071.db2.gz UONFDLVCXGXQTJ-LJQANCHMSA-N 1 1 338.499 3.122 50 0 EGAAMO CC[C@]1(CO)CCC[N@@H+](Cc2ccccc2-n2nc(C)cc2C)C1 ZINC000091364573 454430531 /nfs/dbraw/zinc/43/05/31/454430531.db2.gz SVHNEZDOXXGXMF-FQEVSTJZSA-N 1 1 327.472 3.474 50 0 EGAAMO CCN1CC2(CCC1=O)CC[NH+](Cc1nc3cc(C)ccc3[nH]1)CC2 ZINC000091505514 454443115 /nfs/dbraw/zinc/44/31/15/454443115.db2.gz QYZBXGUTXGCCLR-UHFFFAOYSA-N 1 1 340.471 3.096 50 0 EGAAMO CCN1CC2(CCC1=O)CC[NH+](Cc1nc3ccc(C)cc3[nH]1)CC2 ZINC000091505514 454443121 /nfs/dbraw/zinc/44/31/21/454443121.db2.gz QYZBXGUTXGCCLR-UHFFFAOYSA-N 1 1 340.471 3.096 50 0 EGAAMO O=C(C[C@H]1CCc2ccccc21)NCC[N@H+]1CCc2ccccc2C1 ZINC000091547440 454445006 /nfs/dbraw/zinc/44/50/06/454445006.db2.gz YLQSPNKUZJFAMH-LJQANCHMSA-N 1 1 334.463 3.281 50 0 EGAAMO CC(C)SCC(=O)N1C[C@H]2CC[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000091849196 454481604 /nfs/dbraw/zinc/48/16/04/454481604.db2.gz MDZPGMVRTFAKFK-ZWKOTPCHSA-N 1 1 332.513 3.251 50 0 EGAAMO Cc1ccc(OC2C[NH+](CCC(=O)N[C@H](C)c3ccccc3)C2)cc1 ZINC000252482016 455808004 /nfs/dbraw/zinc/80/80/04/455808004.db2.gz CWTPMCDVUYQTOA-QGZVFWFLSA-N 1 1 338.451 3.326 50 0 EGAAMO Cc1n[nH]c(C)c1CN(C)C(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000252485135 455809852 /nfs/dbraw/zinc/80/98/52/455809852.db2.gz GNYRDNCQHWPCCK-LJQANCHMSA-N 1 1 340.471 3.040 50 0 EGAAMO Cc1cc(C(=O)N2CCCC[C@H]2CCn2cc[nH+]c2C)c(C)n1C ZINC000223006644 456053100 /nfs/dbraw/zinc/05/31/00/456053100.db2.gz WTKFFRNMCFRYSZ-KRWDZBQOSA-N 1 1 328.460 3.232 50 0 EGAAMO O=C(Nc1ccc2c(c1)COC2)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000299769896 456780663 /nfs/dbraw/zinc/78/06/63/456780663.db2.gz OJXIVSJCDALXEL-LJQANCHMSA-N 1 1 337.423 3.113 50 0 EGAAMO Cc1ccc(N2CC[C@]3(C2)CCC[N@@H+](CCc2ccccc2)C3)nn1 ZINC000426414331 457827184 /nfs/dbraw/zinc/82/71/84/457827184.db2.gz JZEBJGAPOJBXOS-OAQYLSRUSA-N 1 1 336.483 3.320 50 0 EGAAMO CO[C@]12CC[N@@H+](CC3=Cc4cc(Cl)ccc4OC3)[C@H]1C[C@H](O)CC2 ZINC000426529404 457848550 /nfs/dbraw/zinc/84/85/50/457848550.db2.gz PMCCYJRNKABFRR-NZSAHSFTSA-N 1 1 349.858 3.120 50 0 EGAAMO COc1ccc(C[N@@H+](C)CCc2ccccn2)cc1Cn1cccn1 ZINC000639041829 461684805 /nfs/dbraw/zinc/68/48/05/461684805.db2.gz ZELISLCZAIAMFM-UHFFFAOYSA-N 1 1 336.439 3.010 50 0 EGAAMO CC(=O)c1cc(CN2CCC[N@H+](Cc3ccccn3)CC2)cs1 ZINC000216346067 534817076 /nfs/dbraw/zinc/81/70/76/534817076.db2.gz ORLFKAZGHUDLKX-UHFFFAOYSA-N 1 1 329.469 3.054 50 0 EGAAMO CC(=O)c1cc(CN2CCC[N@@H+](Cc3ccccn3)CC2)cs1 ZINC000216346067 534817086 /nfs/dbraw/zinc/81/70/86/534817086.db2.gz ORLFKAZGHUDLKX-UHFFFAOYSA-N 1 1 329.469 3.054 50 0 EGAAMO C[N@H+]1CC[C@](C)(C(=O)NCc2cc(COc3ccccc3)cs2)C1 ZINC000670449440 548216683 /nfs/dbraw/zinc/21/66/83/548216683.db2.gz WRJPXYBSYBECJV-IBGZPJMESA-N 1 1 344.480 3.285 50 0 EGAAMO CN(C(=O)/C=C/c1ccncc1)[C@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000012207971 1291130904 /nfs/dbraw/zinc/13/09/04/1291130904.db2.gz JBPUAPUDOPCDBN-GLCJEOIMSA-N 1 1 349.478 3.260 50 0 EGAAMO Cc1ccc(-c2n[nH]cc2CN2CCN(c3cc[nH+]cc3)CC2)cc1C ZINC000015068978 1291145477 /nfs/dbraw/zinc/14/54/77/1291145477.db2.gz XORUCWYKBLOFAS-UHFFFAOYSA-N 1 1 347.466 3.411 50 0 EGAAMO COCC[N@@H+](Cc1c(C)nn(C)c1C)Cc1ccc2c(ccn2C)c1 ZINC000824405547 1320255129 /nfs/dbraw/zinc/25/51/29/1320255129.db2.gz YSKNHKPVLRSQPJ-UHFFFAOYSA-N 1 1 340.471 3.177 50 0 EGAAMO Cc1cccc(C[N@@H+](C[C@@H]2CCCO2)CC(C)(C)N2CCOCC2)c1 ZINC000952868490 1334583921 /nfs/dbraw/zinc/58/39/21/1334583921.db2.gz QFANTCVJSCJHNJ-FQEVSTJZSA-N 1 1 346.515 3.087 50 0 EGAAMO CCN1C[C@H](C[N@@H+](C)Cc2cc(C(C)C)c(OC)cc2C)CC1=O ZINC000952868591 1334584149 /nfs/dbraw/zinc/58/41/49/1334584149.db2.gz CPGCBPYYFARYAY-INIZCTEOSA-N 1 1 332.488 3.427 50 0 EGAAMO Nc1ncc2c(n1)[C@@]1(CC2)CCC[N@@H+](Cc2cccc3cc[nH]c32)C1 ZINC001704303894 1416434443 /nfs/dbraw/zinc/43/44/43/1416434443.db2.gz DHHQAYOHQOZDCY-HXUWFJFHSA-N 1 1 333.439 3.020 50 0 EGAAMO Cc1ccc2nc(N3CC[C@@]4(CO)CCC[N@H+](C)[C@@H]4C3)cc(C)c2c1 ZINC001704312795 1416439166 /nfs/dbraw/zinc/43/91/66/1416439166.db2.gz BAYAOLGWTBBFOE-TZIWHRDSSA-N 1 1 339.483 3.135 50 0 EGAAMO C[N@H+]1CCC[C@]2(CO)CCN(Cc3ccc(C(C)(C)C)cc3)C[C@@H]12 ZINC001704342419 1416449514 /nfs/dbraw/zinc/44/95/14/1416449514.db2.gz CBRNLQKQKZCFOE-TZIWHRDSSA-N 1 1 330.516 3.263 50 0 EGAAMO CN1CCC[C@]2(CO)CC[N@H+](Cc3ccc(C(C)(C)C)cc3)C[C@@H]12 ZINC001704342419 1416449516 /nfs/dbraw/zinc/44/95/16/1416449516.db2.gz CBRNLQKQKZCFOE-TZIWHRDSSA-N 1 1 330.516 3.263 50 0 EGAAMO CN1CCC[C@]2(CO)CC[N@@H+](Cc3ccc(C(C)(C)C)cc3)C[C@@H]12 ZINC001704342419 1416449519 /nfs/dbraw/zinc/44/95/19/1416449519.db2.gz CBRNLQKQKZCFOE-TZIWHRDSSA-N 1 1 330.516 3.263 50 0 EGAAMO Cc1ccc(-c2nn(-c3ccccc3)cc2C[N@@H+]2C[C@@H]3[C@@H](O)C[C@@H]3C2)o1 ZINC001772706786 1441417036 /nfs/dbraw/zinc/41/70/36/1441417036.db2.gz MKOQTNAMUZGJFU-MNEFBYGVSA-N 1 1 349.434 3.253 50 0 EGAAMO CC(C)(N)c1nnc(NCC[C@H]2CCCC[N@@H+]2Cc2ccccc2)o1 ZINC001772706213 1441417180 /nfs/dbraw/zinc/41/71/80/1441417180.db2.gz QOXDXECYCCHQQB-MRXNPFEDSA-N 1 1 343.475 3.120 50 0 EGAAMO CC(C)(N)c1nnc(NCC[C@H]2CCCC[N@H+]2Cc2ccccc2)o1 ZINC001772706213 1441417181 /nfs/dbraw/zinc/41/71/81/1441417181.db2.gz QOXDXECYCCHQQB-MRXNPFEDSA-N 1 1 343.475 3.120 50 0 EGAAMO Cc1ccc(OCC(=O)N2CCC([N@H+]3C[C@H](C)C[C@H](C)C3)CC2)cc1 ZINC000004744231 210267472 /nfs/dbraw/zinc/26/74/72/210267472.db2.gz BXHFODIOHYHFNH-HDICACEKSA-N 1 1 344.499 3.343 50 0 EGAAMO Cc1ccc(O)c(C[N@H+](Cc2ccc(F)cc2)C[C@H]2CCCO2)n1 ZINC000055088962 214270836 /nfs/dbraw/zinc/27/08/36/214270836.db2.gz JNNKHAOWXYXRSI-QGZVFWFLSA-N 1 1 330.403 3.416 50 0 EGAAMO CC[C@@H](CO)[N@@H+](CCCn1nc(C)cc1C)Cc1ccc(F)cc1 ZINC000055308242 214304514 /nfs/dbraw/zinc/30/45/14/214304514.db2.gz GYOXLIXULLNRGA-IBGZPJMESA-N 1 1 333.451 3.302 50 0 EGAAMO OCCCC1=NC2=[NH+]C(c3ccccc3)=C[C@@H](c3ccccc3)N2N1 ZINC000100429913 219099289 /nfs/dbraw/zinc/09/92/89/219099289.db2.gz XATKXXCDPPBZLW-SFHVURJKSA-N 1 1 332.407 3.130 50 0 EGAAMO COc1cccc(OC)c1OCCOCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000004472845 210196230 /nfs/dbraw/zinc/19/62/30/210196230.db2.gz QFJHXVLSICWSIO-IYBDPMFKSA-N 1 1 337.460 3.077 50 0 EGAAMO CCOc1ccc(Br)c([C@]2(O)C[C@H](C)[N@@H+](C)C[C@@H]2C)c1 ZINC000004339493 210174660 /nfs/dbraw/zinc/17/46/60/210174660.db2.gz KTZNNKANCYRNTA-MKBNYLNASA-N 1 1 342.277 3.396 50 0 EGAAMO Cc1ccc2[nH]c(=O)c(C[N@@H+](C)Cc3cnc4ccccn34)cc2c1 ZINC000067675994 215180092 /nfs/dbraw/zinc/18/00/92/215180092.db2.gz QHEOBRUWHDHWFW-UHFFFAOYSA-N 1 1 332.407 3.116 50 0 EGAAMO COc1ccc(-c2nc(CN3CCC(C[NH3+])CC3)c(C)o2)c(C)c1C ZINC000067677295 215182605 /nfs/dbraw/zinc/18/26/05/215182605.db2.gz NWHKHWJEHXXVID-UHFFFAOYSA-N 1 1 343.471 3.446 50 0 EGAAMO CCn1c(C[N@@H+]2CC[C@H](CNC(=O)C(C)(C)C)C2)nc2ccccc21 ZINC000067783732 215210396 /nfs/dbraw/zinc/21/03/96/215210396.db2.gz DRZYHTKCLFWYHK-OAHLLOKOSA-N 1 1 342.487 3.040 50 0 EGAAMO CCn1c(C[N@H+]2CC[C@H](CNC(=O)C(C)(C)C)C2)nc2ccccc21 ZINC000067783732 215210397 /nfs/dbraw/zinc/21/03/97/215210397.db2.gz DRZYHTKCLFWYHK-OAHLLOKOSA-N 1 1 342.487 3.040 50 0 EGAAMO CC(C)=CC(=O)NC[C@H]1CCC[N@@H+](Cc2cc3ccccc3[nH]2)C1 ZINC000067850891 215231937 /nfs/dbraw/zinc/23/19/37/215231937.db2.gz RMDQKVARAGPGST-MRXNPFEDSA-N 1 1 325.456 3.462 50 0 EGAAMO Cc1cccc(C[N@H+]2CC[C@@H](CNC(=O)c3sccc3Cl)C2)n1 ZINC000067909480 215249063 /nfs/dbraw/zinc/24/90/63/215249063.db2.gz VAOWNYMRTBGFSL-ZDUSSCGKSA-N 1 1 349.887 3.357 50 0 EGAAMO Cn1cc(C(=O)NC[C@@H]2CC[N@@H+](CC(C)(C)C)C2)c2ccccc21 ZINC000067947951 215257787 /nfs/dbraw/zinc/25/77/87/215257787.db2.gz XIOLYRQHLPXRIJ-HNNXBMFYSA-N 1 1 327.472 3.276 50 0 EGAAMO c1nc2ccc(Nc3nccc(Nc4cc(C5CC5)[nH]n4)n3)cc2[nH]1 ZINC000040163635 213277827 /nfs/dbraw/zinc/27/78/27/213277827.db2.gz WJNBSTLIALIIEW-UHFFFAOYSA-N 1 1 332.371 3.441 50 0 in-vivo EGAAMO COc1cc(C)c(CN2CC[N@@H+](C3CCCC3)[C@H](CCO)C2)cc1C ZINC000039413288 213236366 /nfs/dbraw/zinc/23/63/66/213236366.db2.gz IYEWVCZQNZHFPK-HXUWFJFHSA-N 1 1 346.515 3.123 50 0 EGAAMO Cc1[nH+]ccn1CC(=O)N1CCC[C@@H](CCc2ccc(F)cc2)C1 ZINC000071771608 215824024 /nfs/dbraw/zinc/82/40/24/215824024.db2.gz MPULSVMRJXUTLT-KRWDZBQOSA-N 1 1 329.419 3.202 50 0 EGAAMO CCCn1ncc(CN2CCC[N@@H+](Cc3ccc(F)cc3)CC2)c1C ZINC000072138762 216026663 /nfs/dbraw/zinc/02/66/63/216026663.db2.gz DGLPBWWVWJKVIA-UHFFFAOYSA-N 1 1 344.478 3.449 50 0 EGAAMO CCCn1ncc(C[N@@H+]2CCCN(Cc3ccc(F)cc3)CC2)c1C ZINC000072138762 216026665 /nfs/dbraw/zinc/02/66/65/216026665.db2.gz DGLPBWWVWJKVIA-UHFFFAOYSA-N 1 1 344.478 3.449 50 0 EGAAMO CCCn1ncc(C[N@H+]2CCCN(Cc3ccc(F)cc3)CC2)c1C ZINC000072138762 216026667 /nfs/dbraw/zinc/02/66/67/216026667.db2.gz DGLPBWWVWJKVIA-UHFFFAOYSA-N 1 1 344.478 3.449 50 0 EGAAMO Cn1ncc(C[NH+]2CCN(Cc3ccc(Cl)cc3)CC2)c1C1CC1 ZINC000072143527 216028576 /nfs/dbraw/zinc/02/85/76/216028576.db2.gz JMMLXNWUADYAHC-UHFFFAOYSA-N 1 1 344.890 3.269 50 0 EGAAMO c1cc([C@@H]2C[N@H+](CC3CCC3)[C@H]3[C@@H]2N2CCC3CC2)cc2c1OCO2 ZINC000072151907 216040695 /nfs/dbraw/zinc/04/06/95/216040695.db2.gz WTCGQEOCRHASDE-IOMROCGXSA-N 1 1 340.467 3.077 50 0 EGAAMO O=C(C1CCC1)N1C[C@H](c2cc(F)cc(F)c2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000072156672 216045652 /nfs/dbraw/zinc/04/56/52/216045652.db2.gz NYUNVIVOZVGGKL-GUDVDZBRSA-N 1 1 346.421 3.154 50 0 EGAAMO c1cc(-c2ccc(C[N@@H+]3CCC[C@H](OCc4cccnc4)C3)o2)n[nH]1 ZINC000072166266 216055736 /nfs/dbraw/zinc/05/57/36/216055736.db2.gz HCBZFOTUWIMIDR-INIZCTEOSA-N 1 1 338.411 3.246 50 0 EGAAMO COc1ccccc1N1CC[N@H+](Cc2cnn(C)c2C2CC2)[C@H](C)C1 ZINC000072167943 216059692 /nfs/dbraw/zinc/05/96/92/216059692.db2.gz MMHTZXMJJWTLKB-OAHLLOKOSA-N 1 1 340.471 3.017 50 0 EGAAMO COc1ccccc1N1CC[N@@H+](Cc2cnn(C)c2C2CC2)[C@H](C)C1 ZINC000072167943 216059696 /nfs/dbraw/zinc/05/96/96/216059696.db2.gz MMHTZXMJJWTLKB-OAHLLOKOSA-N 1 1 340.471 3.017 50 0 EGAAMO C[C@@H]1CCCC[N@H+]1C1CN(C(=O)c2ccc(CCC(C)(C)O)cc2)C1 ZINC000072411304 216203796 /nfs/dbraw/zinc/20/37/96/216203796.db2.gz WLOQGYJNZBHAHF-MRXNPFEDSA-N 1 1 344.499 3.089 50 0 EGAAMO Cc1nn(C)c(C)c1C[N@H+]1CCC[C@H](C(=O)CCc2ccccc2)C1 ZINC000072429919 216222587 /nfs/dbraw/zinc/22/25/87/216222587.db2.gz AIDHAGPBYMQYHW-IBGZPJMESA-N 1 1 339.483 3.451 50 0 EGAAMO Fc1ccc(C[N@H+]2CCC[C@]3(CCN(c4cnccn4)C3)C2)cc1F ZINC000072430758 216223187 /nfs/dbraw/zinc/22/31/87/216223187.db2.gz GQBMYQZMNDFQOP-IBGZPJMESA-N 1 1 344.409 3.247 50 0 EGAAMO CN(Cc1csc(-c2ccccc2)n1)C(=O)[C@H]1CCCC[N@H+]1C ZINC000072462555 216245626 /nfs/dbraw/zinc/24/56/26/216245626.db2.gz LRPNMZWNABUQCH-MRXNPFEDSA-N 1 1 329.469 3.253 50 0 EGAAMO COCCC[N@@H+](Cc1cc2ccccc2n1C)C1CCN(C)CC1 ZINC000072476784 216254534 /nfs/dbraw/zinc/25/45/34/216254534.db2.gz SELLGACXXMNENU-UHFFFAOYSA-N 1 1 329.488 3.111 50 0 EGAAMO CCn1ncnc1C[N@@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000215144332 241107239 /nfs/dbraw/zinc/10/72/39/241107239.db2.gz IINGCRVEJHKMEE-ZDUSSCGKSA-N 1 1 327.457 3.287 50 0 EGAAMO CCn1ncnc1C[N@H+]1CCC[C@H](c2nc3ccccc3s2)C1 ZINC000215144332 241107241 /nfs/dbraw/zinc/10/72/41/241107241.db2.gz IINGCRVEJHKMEE-ZDUSSCGKSA-N 1 1 327.457 3.287 50 0 EGAAMO CC(=O)N[C@H]1CC[N@H+](Cc2ccc(Sc3ccc(C)cc3)o2)C1 ZINC000215213654 241111529 /nfs/dbraw/zinc/11/15/29/241111529.db2.gz KDHSOOUSENLFBY-HNNXBMFYSA-N 1 1 330.453 3.450 50 0 EGAAMO CC(=O)N[C@H]1CC[N@@H+](Cc2ccc(Sc3ccc(C)cc3)o2)C1 ZINC000215213654 241111533 /nfs/dbraw/zinc/11/15/33/241111533.db2.gz KDHSOOUSENLFBY-HNNXBMFYSA-N 1 1 330.453 3.450 50 0 EGAAMO CCc1nn(C)c(Cl)c1C[NH+]1CCC(Oc2cccnc2)CC1 ZINC000215283090 241118185 /nfs/dbraw/zinc/11/81/85/241118185.db2.gz ANAFUNOADGYILJ-UHFFFAOYSA-N 1 1 334.851 3.074 50 0 EGAAMO C[NH+]1CCN(Cc2cccc(C(=O)c3ccc(F)c(Cl)c3)c2)CC1 ZINC000022028039 212271670 /nfs/dbraw/zinc/27/16/70/212271670.db2.gz PZKXNQFIGIQRBB-UHFFFAOYSA-N 1 1 346.833 3.458 50 0 EGAAMO CSc1ccccc1C(=O)c1ccc(CN2CC[NH+](C)CC2)cc1 ZINC000022027890 212270972 /nfs/dbraw/zinc/27/09/72/212270972.db2.gz PHSQCFZBMKWISJ-UHFFFAOYSA-N 1 1 340.492 3.387 50 0 EGAAMO Cc1ccc(C[N@H+](CC(=O)Nc2cnn(C)c2C)C2CCCC2)s1 ZINC000243957154 243036713 /nfs/dbraw/zinc/03/67/13/243036713.db2.gz CGRFPFNVGIPQND-UHFFFAOYSA-N 1 1 346.500 3.482 50 0 EGAAMO CCc1nccn1CC[N@H+]1CCC[C@@H](COc2ccccc2F)C1 ZINC000244773873 243078315 /nfs/dbraw/zinc/07/83/15/243078315.db2.gz PIEKXTYNQUUZFD-MRXNPFEDSA-N 1 1 331.435 3.376 50 0 EGAAMO CC[NH+](CC)CCCn1c(=O)c2cc(Cl)ccc2[nH]c1=S ZINC000020645235 212158191 /nfs/dbraw/zinc/15/81/91/212158191.db2.gz ZWUDMMPAAOKRHI-UHFFFAOYSA-N 1 1 325.865 3.071 50 0 EGAAMO OCC[C@H]1CN(C/C=C/c2ccccc2)CC[N@H+]1C1CCCCC1 ZINC000020599882 212151078 /nfs/dbraw/zinc/15/10/78/212151078.db2.gz GOURNWIJPYCATO-CLNPQZTCSA-N 1 1 328.500 3.401 50 0 EGAAMO c1ccc(CN2CC[NH+](CCOc3ccc4c(c3)CCC4)CC2)cc1 ZINC000020500181 212140215 /nfs/dbraw/zinc/14/02/15/212140215.db2.gz UDZVYMOOSSPYSL-UHFFFAOYSA-N 1 1 336.479 3.372 50 0 EGAAMO CC(C)=CCN1CC[N@@H+](Cc2cccc3cnccc32)C[C@@H]1CCO ZINC000020453399 212131151 /nfs/dbraw/zinc/13/11/51/212131151.db2.gz LOIIRFMZRREDFD-FQEVSTJZSA-N 1 1 339.483 3.070 50 0 EGAAMO CC(C)=CC[N@@H+]1CCN(Cc2cccc3cnccc32)C[C@@H]1CCO ZINC000020453399 212131153 /nfs/dbraw/zinc/13/11/53/212131153.db2.gz LOIIRFMZRREDFD-FQEVSTJZSA-N 1 1 339.483 3.070 50 0 EGAAMO CC(C)=CC[N@H+]1CCN(Cc2cccc3cnccc32)C[C@@H]1CCO ZINC000020453399 212131155 /nfs/dbraw/zinc/13/11/55/212131155.db2.gz LOIIRFMZRREDFD-FQEVSTJZSA-N 1 1 339.483 3.070 50 0 EGAAMO CC(C)CC[N@H+]1CCN(Cc2cc3ccccc3o2)C[C@@H]1CCO ZINC000020235445 212113233 /nfs/dbraw/zinc/11/32/33/212113233.db2.gz SPCPFVGAGWXOLS-SFHVURJKSA-N 1 1 330.472 3.348 50 0 EGAAMO Cc1cccnc1C[NH+]1CCN(Cc2c[nH]c(-c3ccccc3)n2)CC1 ZINC000020207431 212111896 /nfs/dbraw/zinc/11/18/96/212111896.db2.gz HKTSSRPROOBWCC-UHFFFAOYSA-N 1 1 347.466 3.098 50 0 EGAAMO O=C(c1cccnc1)N1CC[C@]2(C1)CCC[N@@H+](CCc1ccccc1)C2 ZINC000012588830 211417854 /nfs/dbraw/zinc/41/78/54/211417854.db2.gz UXWLLNWAGKIWDS-JOCHJYFZSA-N 1 1 349.478 3.252 50 0 EGAAMO COc1ccc(C(=O)[C@@H]2CCC[N@H+](Cc3cccnc3)C2)cc1OC ZINC000012448586 211387417 /nfs/dbraw/zinc/38/74/17/211387417.db2.gz JIAIMUNFTBVBDP-QGZVFWFLSA-N 1 1 340.423 3.194 50 0 EGAAMO COc1ccc(C(=O)[C@@H]2CCC[N@@H+](Cc3cccnc3)C2)cc1OC ZINC000012448586 211387422 /nfs/dbraw/zinc/38/74/22/211387422.db2.gz JIAIMUNFTBVBDP-QGZVFWFLSA-N 1 1 340.423 3.194 50 0 EGAAMO Cc1cccc(C[N@H+]2CCC[C@@H](C(=O)c3ccc4c(c3)OCO4)C2)n1 ZINC000012317909 211344841 /nfs/dbraw/zinc/34/48/41/211344841.db2.gz UUDLWSQKIXCNPA-MRXNPFEDSA-N 1 1 338.407 3.214 50 0 EGAAMO CCN(Cc1cc[nH]n1)C[C@@H]1CCC[N@@H+](CCc2cccc(F)c2)C1 ZINC000012305980 211338733 /nfs/dbraw/zinc/33/87/33/211338733.db2.gz IHGAUWAHILOEJZ-SFHVURJKSA-N 1 1 344.478 3.325 50 0 EGAAMO COC(=O)c1ccc(-c2nc(C[N@@H+](C)C3CCOCC3)c(C)o2)cc1 ZINC000011957162 211273701 /nfs/dbraw/zinc/27/37/01/211273701.db2.gz QSQFJHYZDSKTAW-UHFFFAOYSA-N 1 1 344.411 3.047 50 0 EGAAMO CC(=O)N1CCC([N@H+]2CCC[C@@H](CCc3ccccc3F)C2)CC1 ZINC000011842244 211256722 /nfs/dbraw/zinc/25/67/22/211256722.db2.gz ZRLJSBWBFDHESI-KRWDZBQOSA-N 1 1 332.463 3.481 50 0 EGAAMO COc1cc(SC)c(OC)cc1C[N@H+]1CC[C@](C)(O)[C@H](C)C1 ZINC000091690012 218046670 /nfs/dbraw/zinc/04/66/70/218046670.db2.gz FEEROWHBNZWOFZ-PXAZEXFGSA-N 1 1 325.474 3.019 50 0 EGAAMO COc1cccc(CN2CCC[C@@]3(CC[N@@H+](CC(C)C)C3)C2=O)c1 ZINC000011753649 211243787 /nfs/dbraw/zinc/24/37/87/211243787.db2.gz HIAIAZASIZJSFH-FQEVSTJZSA-N 1 1 330.472 3.166 50 0 EGAAMO COCCC[C@]1(CO)CCC[N@@H+](CCOc2ccc(Cl)cc2)C1 ZINC000091755825 218060584 /nfs/dbraw/zinc/06/05/84/218060584.db2.gz GJWDLXOVSUFXDE-GOSISDBHSA-N 1 1 341.879 3.220 50 0 EGAAMO COc1cccc(C[N@H+]2CC[C@H](Cc3cccc(CO)c3)C2)c1OC ZINC000091849292 218076828 /nfs/dbraw/zinc/07/68/28/218076828.db2.gz AHZWNRUFWYFCEV-QGZVFWFLSA-N 1 1 341.451 3.261 50 0 EGAAMO FC(F)C(F)(F)CC[N@H+]1C[C@@H]2CC[C@H](C1)N(Cc1ccccn1)C2 ZINC000091871520 218081325 /nfs/dbraw/zinc/08/13/25/218081325.db2.gz MWQUUPGPRNHDEA-DZGCQCFKSA-N 1 1 345.384 3.268 50 0 EGAAMO FC(F)C(F)(F)CCN1C[C@H]2CC[C@H](C[N@H+]2Cc2ccccn2)C1 ZINC000091871520 218081327 /nfs/dbraw/zinc/08/13/27/218081327.db2.gz MWQUUPGPRNHDEA-DZGCQCFKSA-N 1 1 345.384 3.268 50 0 EGAAMO FC(F)C(F)(F)CCN1C[C@H]2CC[C@H](C[N@@H+]2Cc2ccccn2)C1 ZINC000091871520 218081328 /nfs/dbraw/zinc/08/13/28/218081328.db2.gz MWQUUPGPRNHDEA-DZGCQCFKSA-N 1 1 345.384 3.268 50 0 EGAAMO CC(=O)N1C[C@H]2CC[C@H](C[N@@H+]2Cc2ccc(C(F)(F)F)cc2)C1 ZINC000092046705 218110992 /nfs/dbraw/zinc/11/09/92/218110992.db2.gz URXAQVDSQLSJCB-GOEBONIOSA-N 1 1 326.362 3.148 50 0 EGAAMO COc1ccc(/C=C/C[N@H+]2C[C@H]3CC[C@@H](C2)C(=O)N3CC2CC2)cc1 ZINC000095359969 218292900 /nfs/dbraw/zinc/29/29/00/218292900.db2.gz NVFJAFJWEYZRRZ-WTJLDUFHSA-N 1 1 340.467 3.041 50 0 EGAAMO Cc1[nH+]ccn1[C@H](C)CC(=O)N1CC(Oc2c(C)cccc2C)C1 ZINC000095357331 218290339 /nfs/dbraw/zinc/29/03/39/218290339.db2.gz KAXQHSZBNYJKER-OAHLLOKOSA-N 1 1 327.428 3.049 50 0 EGAAMO CCc1nc(C)c(CNC(=O)[C@@H]2CCC[N@H+](C3CCCC3)C2)s1 ZINC000095377985 218310520 /nfs/dbraw/zinc/31/05/20/218310520.db2.gz SLGYJDNEIVSQEV-CQSZACIVSA-N 1 1 335.517 3.285 50 0 EGAAMO Cc1ccc2nc([C@@H](C)NC(=O)C3CC[NH+](C(C)C)CC3)[nH]c2c1 ZINC000095384794 218316878 /nfs/dbraw/zinc/31/68/78/218316878.db2.gz ZDXWKOJCSAMBRB-CQSZACIVSA-N 1 1 328.460 3.169 50 0 EGAAMO CN(CCC[NH+]1CCCCCC1)C(=O)Nc1ccc2nc[nH]c2c1 ZINC000096138423 218622324 /nfs/dbraw/zinc/62/23/24/218622324.db2.gz XLLCWSOOVLLIPV-UHFFFAOYSA-N 1 1 329.448 3.293 50 0 EGAAMO C[N@@H+]1CCCC[C@@H]1C(=O)NCCSCc1cccc(Cl)c1 ZINC000097301430 219010551 /nfs/dbraw/zinc/01/05/51/219010551.db2.gz PNHAIDMINRKRAC-OAHLLOKOSA-N 1 1 326.893 3.174 50 0 EGAAMO C[N@H+]1CCCC[C@@H]1C(=O)NCCSCc1cccc(Cl)c1 ZINC000097301430 219010554 /nfs/dbraw/zinc/01/05/54/219010554.db2.gz PNHAIDMINRKRAC-OAHLLOKOSA-N 1 1 326.893 3.174 50 0 EGAAMO O[C@H](c1ccccn1)C1CC[NH+](Cc2nc3c(s2)CCCC3)CC1 ZINC000097425451 219023875 /nfs/dbraw/zinc/02/38/75/219023875.db2.gz MCINGELYTNOJGR-IBGZPJMESA-N 1 1 343.496 3.363 50 0 EGAAMO CCCNC(=O)C[N@@H+]1CC[C@]2(O)CCCC[C@@H]2[C@H]1c1ccc(F)cc1 ZINC000245313026 258000126 /nfs/dbraw/zinc/00/01/26/258000126.db2.gz YYQWSSHRVKGXIT-MISYRCLQSA-N 1 1 348.462 3.020 50 0 EGAAMO CCCNC(=O)C[N@H+]1CC[C@]2(O)CCCC[C@@H]2[C@H]1c1ccc(F)cc1 ZINC000245313026 258000128 /nfs/dbraw/zinc/00/01/28/258000128.db2.gz YYQWSSHRVKGXIT-MISYRCLQSA-N 1 1 348.462 3.020 50 0 EGAAMO CO[C@]12CC[N@@H+](Cc3cnc(C4CCCCC4)nc3)[C@H]1C[C@@H](O)CC2 ZINC000299791293 258096937 /nfs/dbraw/zinc/09/69/37/258096937.db2.gz DCPYGQRIAKGERL-CMKODMSKSA-N 1 1 345.487 3.029 50 0 EGAAMO CN(C[C@H]1Cc2ccccc2C[N@H+]1C)C(=O)c1cnc2c(c1)CCCC2 ZINC000299759246 258076454 /nfs/dbraw/zinc/07/64/54/258076454.db2.gz DDPCVBUBTWGGCR-HXUWFJFHSA-N 1 1 349.478 3.089 50 0 EGAAMO CO[C@]12CC[N@@H+](Cc3cnc(-c4ccccc4)s3)[C@H]1C[C@@H](O)CC2 ZINC000299765420 258080680 /nfs/dbraw/zinc/08/06/80/258080680.db2.gz ARBHDAVBVYHRTE-VDZJLULYSA-N 1 1 344.480 3.314 50 0 EGAAMO O=C(OC[C@@H]1CCC[N@H+]2CCCC[C@H]12)[C@H]1CC(=O)OC12CCCCC2 ZINC000004037347 304287986 /nfs/dbraw/zinc/28/79/86/304287986.db2.gz XXCRHFHKCNIENE-GVDBMIGSSA-N 1 1 349.471 3.060 50 0 biogenic EGAAMO CO[C@@H]1CC[C@@H]2C[N@@H+]3CCc4c5ccccc5[nH]c4[C@@H]3C[C@H]2[C@H]1CO ZINC000257357413 274065392 /nfs/dbraw/zinc/06/53/92/274065392.db2.gz NWVMGSHVNNFQRI-WNRRLTEBSA-N 1 1 340.467 3.121 50 0 EGAAMO CO[C@@H]1CC[C@@H]2C[N@H+]3CCc4c5ccccc5[nH]c4[C@@H]3C[C@H]2[C@H]1CO ZINC000257357413 274065394 /nfs/dbraw/zinc/06/53/94/274065394.db2.gz NWVMGSHVNNFQRI-WNRRLTEBSA-N 1 1 340.467 3.121 50 0 EGAAMO COc1cc(N2CCC([C@@H]3CC[N@@H+](CC(C)(C)C)C3)CC2)ncn1 ZINC000072168572 277381349 /nfs/dbraw/zinc/38/13/49/277381349.db2.gz ZWPRRSLRAHLOKS-MRXNPFEDSA-N 1 1 332.492 3.070 50 0 EGAAMO CS(=O)(=O)c1ccc(C[N@@H+]2CC[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000215999964 278119148 /nfs/dbraw/zinc/11/91/48/278119148.db2.gz UHKYOKPLQHPJPI-MRXNPFEDSA-N 1 1 333.428 3.219 50 0 EGAAMO CS(=O)(=O)c1ccc(C[N@H+]2CC[C@@H](c3ccc(F)cc3)C2)cc1 ZINC000215999964 278119149 /nfs/dbraw/zinc/11/91/49/278119149.db2.gz UHKYOKPLQHPJPI-MRXNPFEDSA-N 1 1 333.428 3.219 50 0 EGAAMO COc1ccc(OC)c(NC(=O)CC[N@H+]2CCc3ccccc3C2)c1 ZINC000000256613 452547511 /nfs/dbraw/zinc/54/75/11/452547511.db2.gz APDSTOAKQMWGDD-UHFFFAOYSA-N 1 1 340.423 3.091 50 0 EGAAMO Cc1ccc2[nH]c3c(c2c1)CN(C(=O)C[N@@H+]1CCC[C@H](C)C1)CC3 ZINC000000509320 452610239 /nfs/dbraw/zinc/61/02/39/452610239.db2.gz MYGBEOGYYAJYJL-HNNXBMFYSA-N 1 1 325.456 3.093 50 0 EGAAMO C[N@@H+](CCOC(=O)COc1ccc(Br)cc1)C(C)(C)C ZINC000002971506 452738952 /nfs/dbraw/zinc/73/89/52/452738952.db2.gz HLFQMWPFHBIWKH-UHFFFAOYSA-N 1 1 344.249 3.101 50 0 EGAAMO C[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(Cl)s2)N3)C1 ZINC000005510187 452881551 /nfs/dbraw/zinc/88/15/51/452881551.db2.gz OSNDWQPGWXOLJA-LBPRGKRZSA-N 1 1 339.873 3.305 50 0 EGAAMO C[N@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(Cl)s2)N3)C1 ZINC000005510187 452881554 /nfs/dbraw/zinc/88/15/54/452881554.db2.gz OSNDWQPGWXOLJA-LBPRGKRZSA-N 1 1 339.873 3.305 50 0 EGAAMO COC(=O)c1ccc2[nH]c(C)c(C[N@H+]3CCC[C@@H](C)C3)c(=O)c2c1 ZINC000008714048 453226863 /nfs/dbraw/zinc/22/68/63/453226863.db2.gz NADCGHPAPIMHJY-GFCCVEGCSA-N 1 1 328.412 3.267 50 0 EGAAMO O=C(CC[C@H]1CCC[N@H+](C2CCOCC2)C1)Nc1ccccc1F ZINC000012576232 453378063 /nfs/dbraw/zinc/37/80/63/453378063.db2.gz GUNDMYKLHQWMGN-OAHLLOKOSA-N 1 1 334.435 3.435 50 0 EGAAMO COc1cccc(C(=O)[C@H]2CCC[N@H+](C3CCN(C(C)C)CC3)C2)c1 ZINC000012575966 453379182 /nfs/dbraw/zinc/37/91/82/453379182.db2.gz YVNWRDOQNWWERF-SFHVURJKSA-N 1 1 344.499 3.463 50 0 EGAAMO COc1cccc(C(=O)[C@H]2CCCN(C3CC[NH+](C(C)C)CC3)C2)c1 ZINC000012575966 453379190 /nfs/dbraw/zinc/37/91/90/453379190.db2.gz YVNWRDOQNWWERF-SFHVURJKSA-N 1 1 344.499 3.463 50 0 EGAAMO COc1ccc(CN2CC[N@@H+](C[C@@H]3CC=CCC3)CCC2=O)cc1 ZINC000014981333 453549633 /nfs/dbraw/zinc/54/96/33/453549633.db2.gz ZUGMXGQPSKOEIP-QGZVFWFLSA-N 1 1 328.456 3.086 50 0 EGAAMO CC(C)C[N@H+](C)Cc1nnc(SCCOc2ccccc2)n1C ZINC000014996521 453550301 /nfs/dbraw/zinc/55/03/01/453550301.db2.gz RMEGAXUALJFDBS-UHFFFAOYSA-N 1 1 334.489 3.074 50 0 EGAAMO CC(C)C[N@@H+](C)Cc1nnc(SCCOc2ccccc2)n1C ZINC000014996521 453550304 /nfs/dbraw/zinc/55/03/04/453550304.db2.gz RMEGAXUALJFDBS-UHFFFAOYSA-N 1 1 334.489 3.074 50 0 EGAAMO CN(CCCC1CCCC1)C(=O)[C@H]1CCC[N@H+](C2CCN(C)CC2)C1 ZINC000015079861 453555201 /nfs/dbraw/zinc/55/52/01/453555201.db2.gz UAWHPCCIKUMSNC-IBGZPJMESA-N 1 1 349.563 3.221 50 0 EGAAMO Cc1ccc([C@H](CNC(=O)c2cc(-c3ccccc3)on2)[NH+](C)C)o1 ZINC000015860389 453587543 /nfs/dbraw/zinc/58/75/43/453587543.db2.gz COZZVSPTYQPGOE-INIZCTEOSA-N 1 1 339.395 3.276 50 0 EGAAMO Cc1ccc([C@@H](CNC(=O)COc2ccc(Cl)cc2)[NH+](C)C)o1 ZINC000015860102 453587671 /nfs/dbraw/zinc/58/76/71/453587671.db2.gz KXOAGFBORNQZOE-OAHLLOKOSA-N 1 1 336.819 3.039 50 0 EGAAMO O[C@@H](C[NH+]1CCN(c2ccccc2F)CC1)c1ccc(Cl)cc1 ZINC000020218767 453662795 /nfs/dbraw/zinc/66/27/95/453662795.db2.gz AZNKSWRGKIDWOB-SFHVURJKSA-N 1 1 334.822 3.335 50 0 EGAAMO C/C=C/CC(=O)NCc1cc2n(n1)CCC[N@H+](C1CCCCC1)C2 ZINC000082086703 453922530 /nfs/dbraw/zinc/92/25/30/453922530.db2.gz VTCSXMHQBZKWSD-NSCUHMNNSA-N 1 1 330.476 3.004 50 0 EGAAMO Cc1noc(C)c1CCCNC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000084808867 454011322 /nfs/dbraw/zinc/01/13/22/454011322.db2.gz OQBPVQQCUNYJKQ-IBGZPJMESA-N 1 1 341.455 3.005 50 0 EGAAMO Cn1cc[nH+]c1CC[C@@H]1CCCCN1Cc1noc(C2CCCC2)n1 ZINC000077408249 454102445 /nfs/dbraw/zinc/10/24/45/454102445.db2.gz FGTNIDIHZXDRML-INIZCTEOSA-N 1 1 343.475 3.448 50 0 EGAAMO c1cnn(CC[C@@H]2CCCC[N@H+]2Cc2cnc(-c3ccccn3)nc2)c1 ZINC000077505048 454115429 /nfs/dbraw/zinc/11/54/29/454115429.db2.gz WALWRXQJQZINKT-SFHVURJKSA-N 1 1 348.454 3.180 50 0 EGAAMO CC(C)[C@H]1C[N@H+](Cc2cccc(F)c2F)CCC(=O)N1CC1CC1 ZINC000071661975 454209992 /nfs/dbraw/zinc/20/99/92/454209992.db2.gz ZNTFDUFKAYLQTI-QGZVFWFLSA-N 1 1 336.426 3.434 50 0 EGAAMO CC(C)[C@H]1C[N@@H+](Cc2cccc(F)c2F)CCC(=O)N1CC1CC1 ZINC000071661975 454209995 /nfs/dbraw/zinc/20/99/95/454209995.db2.gz ZNTFDUFKAYLQTI-QGZVFWFLSA-N 1 1 336.426 3.434 50 0 EGAAMO CC[N@H+]1CCC[C@H](CN(C)c2nccc(-c3ccc(C)nc3C)n2)C1 ZINC000071748804 454213012 /nfs/dbraw/zinc/21/30/12/454213012.db2.gz AJJBQAGTOBRIJQ-QGZVFWFLSA-N 1 1 339.487 3.324 50 0 EGAAMO CC(C)n1c2ccccc2nc1C[NH+]1CCC(N2CCCC2=O)CC1 ZINC000071754612 454214133 /nfs/dbraw/zinc/21/41/33/454214133.db2.gz UXRKKPIYAXGFJT-UHFFFAOYSA-N 1 1 340.471 3.204 50 0 EGAAMO COc1ccc([C@@H]2C[N@@H+](Cc3ccc(C)s3)C[C@H]2NC(C)=O)cc1 ZINC000095505174 454224498 /nfs/dbraw/zinc/22/44/98/454224498.db2.gz VZDJDZVFCCTQTN-RBUKOAKNSA-N 1 1 344.480 3.169 50 0 EGAAMO Cc1[nH]c[nH+]c1C1CCN(c2nc3cccc4c3n2CCC4=O)CC1 ZINC000059103853 454253678 /nfs/dbraw/zinc/25/36/78/454253678.db2.gz YKJJROIKVYSPDH-UHFFFAOYSA-N 1 1 335.411 3.038 50 0 in-vitro EGAAMO Cc1[nH+]c[nH]c1C1CCN(c2nc3cccc4c3n2CCC4=O)CC1 ZINC000059103853 454253681 /nfs/dbraw/zinc/25/36/81/454253681.db2.gz YKJJROIKVYSPDH-UHFFFAOYSA-N 1 1 335.411 3.038 50 0 in-vitro EGAAMO CN(Cc1cc(C(C)(C)C)[nH]n1)C(=O)c1ccccc1[C@H]1CC[NH2+]C1 ZINC000072161104 454273438 /nfs/dbraw/zinc/27/34/38/454273438.db2.gz DLYHGBMZDSOVRI-AWEZNQCLSA-N 1 1 340.471 3.056 50 0 EGAAMO CCCCc1nc(NCCNC(=O)Nc2ccc(C)nc2)cc(C)[nH+]1 ZINC000096163505 454295824 /nfs/dbraw/zinc/29/58/24/454295824.db2.gz OYVVNANCBFXNSM-UHFFFAOYSA-N 1 1 342.447 3.065 50 0 EGAAMO CCCC(=O)Nc1cccc(NC(=O)N(CC)C[C@H]2CC[N@@H+](C)C2)c1 ZINC000096163708 454295967 /nfs/dbraw/zinc/29/59/67/454295967.db2.gz PQBCANCFHINOCJ-HNNXBMFYSA-N 1 1 346.475 3.231 50 0 EGAAMO Cc1ccc2c(ccn2CC(=O)NC[C@@H]2CCC[N@H+]3CCCC[C@H]23)c1 ZINC000079191260 454380789 /nfs/dbraw/zinc/38/07/89/454380789.db2.gz VWWBUZYDZPKIOY-RBUKOAKNSA-N 1 1 339.483 3.330 50 0 biogenic EGAAMO CO[C@H](Cn1cc(-c2[nH+]c(C)n3ccccc23)nn1)c1cccs1 ZINC000091303988 454423374 /nfs/dbraw/zinc/42/33/74/454423374.db2.gz RFVBTTMASSBHGN-OAHLLOKOSA-N 1 1 339.424 3.350 50 0 EGAAMO c1ccc(-c2nnc(C[N@H+]3CC[C@H](CNc4ccccn4)C3)o2)cc1 ZINC000097200489 454423722 /nfs/dbraw/zinc/42/37/22/454423722.db2.gz SUULLXXHFHGEFZ-OAHLLOKOSA-N 1 1 335.411 3.066 50 0 EGAAMO c1ccc(-c2nnc(C[N@@H+]3CC[C@H](CNc4ccccn4)C3)o2)cc1 ZINC000097200489 454423726 /nfs/dbraw/zinc/42/37/26/454423726.db2.gz SUULLXXHFHGEFZ-OAHLLOKOSA-N 1 1 335.411 3.066 50 0 EGAAMO C[N@@H+]1CCc2nc[nH]c2C12CCN(Cc1ccc(Cl)s1)CC2 ZINC000091380978 454432789 /nfs/dbraw/zinc/43/27/89/454432789.db2.gz JHGOUEOSFWXSIK-UHFFFAOYSA-N 1 1 336.892 3.104 50 0 EGAAMO C[N@H+]1CCc2nc[nH]c2C12CCN(Cc1ccc(Cl)s1)CC2 ZINC000091380978 454432794 /nfs/dbraw/zinc/43/27/94/454432794.db2.gz JHGOUEOSFWXSIK-UHFFFAOYSA-N 1 1 336.892 3.104 50 0 EGAAMO Cc1ccccc1CN1CCC([NH2+]Cc2cccc3c2OCO3)CC1 ZINC000048716624 454510072 /nfs/dbraw/zinc/51/00/72/454510072.db2.gz WWBWOAVSISPNQW-UHFFFAOYSA-N 1 1 338.451 3.478 50 0 EGAAMO CCc1[nH+]ccn1Cc1nc(-c2cccc(Br)c2)no1 ZINC000065224664 454539792 /nfs/dbraw/zinc/53/97/92/454539792.db2.gz FPULZJRIHVNROI-UHFFFAOYSA-N 1 1 333.189 3.306 50 0 EGAAMO CC(=O)N1CCCC[C@@H]1C1=CCC[N@@H+](CCOc2ccc(F)cc2)C1 ZINC000065408074 454562003 /nfs/dbraw/zinc/56/20/03/454562003.db2.gz UTCPXQPQCGEPEY-HXUWFJFHSA-N 1 1 346.446 3.238 50 0 EGAAMO O[C@@H]1C[N@@H+](Cc2cccc3nsnc32)CC[C@H]1c1ccc(F)cc1 ZINC000065498349 454578258 /nfs/dbraw/zinc/57/82/58/454578258.db2.gz GTPRJYXISMYLEH-DOTOQJQBSA-N 1 1 343.427 3.181 50 0 EGAAMO COc1ccc(OC)c([C@@H]2CC[N@@H+](Cc3cccc4c3OCO4)C2)c1 ZINC000065535581 454586743 /nfs/dbraw/zinc/58/67/43/454586743.db2.gz CYSCXWKZLPWAMF-CQSZACIVSA-N 1 1 341.407 3.422 50 0 EGAAMO CC[C@H](C(=O)N1CC([N@@H+]2CCc3ccccc3C2)C1)c1ccccc1 ZINC000244933096 455278436 /nfs/dbraw/zinc/27/84/36/455278436.db2.gz CBAQESOQADJRBE-NRFANRHFSA-N 1 1 334.463 3.449 50 0 EGAAMO CC[C@H](C(=O)N1CC([N@H+]2CCc3ccccc3C2)C1)c1ccccc1 ZINC000244933096 455278440 /nfs/dbraw/zinc/27/84/40/455278440.db2.gz CBAQESOQADJRBE-NRFANRHFSA-N 1 1 334.463 3.449 50 0 EGAAMO CCCc1nc(CNC(=O)[C@H]2Cc3ccccc3C[N@@H+]2CC)cs1 ZINC000252485245 455809735 /nfs/dbraw/zinc/80/97/35/455809735.db2.gz GPLJYAUGISZSSF-QGZVFWFLSA-N 1 1 343.496 3.159 50 0 EGAAMO CCCc1nc(CNC(=O)[C@H]2Cc3ccccc3C[N@H+]2CC)cs1 ZINC000252485245 455809742 /nfs/dbraw/zinc/80/97/42/455809742.db2.gz GPLJYAUGISZSSF-QGZVFWFLSA-N 1 1 343.496 3.159 50 0 EGAAMO Cc1[nH+]cn(CC(=O)N[C@@H](c2ccncc2)c2ccc(C)cc2)c1C ZINC000220020540 456037495 /nfs/dbraw/zinc/03/74/95/456037495.db2.gz FKVQHGZUEKLPPZ-HXUWFJFHSA-N 1 1 334.423 3.109 50 0 EGAAMO O=C(/C=C/c1cccs1)N1CC[C@H]([N@H+]2CCc3ccccc3C2)C1 ZINC000225684643 456102633 /nfs/dbraw/zinc/10/26/33/456102633.db2.gz AXLRTMCUHPRZHX-DVBCCOPCSA-N 1 1 338.476 3.421 50 0 EGAAMO O=C(c1c[nH]c2ccccc12)N1CC[C@H]([N@H+]2CCc3ccccc3C2)C1 ZINC000225686958 456104129 /nfs/dbraw/zinc/10/41/29/456104129.db2.gz LACZYCKWRKMDPU-SFHVURJKSA-N 1 1 345.446 3.441 50 0 EGAAMO COc1cccc(-c2ccc(C(=O)N3CC[N@H+]4CCC[C@@H]4C3)cc2)c1 ZINC000426541399 457850585 /nfs/dbraw/zinc/85/05/85/457850585.db2.gz NQGHRDKRRMQDPE-LJQANCHMSA-N 1 1 336.435 3.282 50 0 EGAAMO Cc1cc(-c2ccc(C(=O)N(C)[C@H]3CC[N@@H+](C)C3)cc2)cc(C)c1O ZINC000426578884 457857508 /nfs/dbraw/zinc/85/75/08/457857508.db2.gz WPHMVSKMNNBHMC-IBGZPJMESA-N 1 1 338.451 3.452 50 0 EGAAMO COc1ccc2ccccc2c1C[N@H+]1CC[C@]2(OC)CC[C@@H](O)C[C@H]12 ZINC000426613538 457861821 /nfs/dbraw/zinc/86/18/21/457861821.db2.gz DPVQQLHNIKJMCV-TYCQWZJGSA-N 1 1 341.451 3.353 50 0 EGAAMO CCn1ncc(C[N@@H+](C)CCC(=O)Nc2cccc(C)c2C)c1C ZINC000426739065 457890028 /nfs/dbraw/zinc/89/00/28/457890028.db2.gz NWPGRUDBCCJVEU-UHFFFAOYSA-N 1 1 328.460 3.289 50 0 EGAAMO CCCCC[C@@H](C)NC(=O)N1CCC[N@H+](Cc2cccnc2)CC1 ZINC000534577247 459334595 /nfs/dbraw/zinc/33/45/95/459334595.db2.gz RGZRUPVXPIGXFU-QGZVFWFLSA-N 1 1 332.492 3.268 50 0 EGAAMO CCCCC[C@@H](C)NC(=O)N1CCC[N@@H+](Cc2cccnc2)CC1 ZINC000534577247 459334600 /nfs/dbraw/zinc/33/46/00/459334600.db2.gz RGZRUPVXPIGXFU-QGZVFWFLSA-N 1 1 332.492 3.268 50 0 EGAAMO CC[N@H+]1CCC[C@@H](NC(=O)N(C)Cc2[nH]c3ccccc3c2C)C1 ZINC000534631747 459339156 /nfs/dbraw/zinc/33/91/56/459339156.db2.gz DYKRLWMOPLZCLG-OAHLLOKOSA-N 1 1 328.460 3.102 50 0 EGAAMO CN(Cc1cnc(-c2ccccc2)s1)C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000534648626 459341531 /nfs/dbraw/zinc/34/15/31/459341531.db2.gz LTASVOAGULFHSZ-OAHLLOKOSA-N 1 1 344.484 3.046 50 0 EGAAMO O=C(N[C@@H]1CCC[N@@H+](Cc2cccs2)C1)N1CCC(F)(F)CC1 ZINC000584893127 459819293 /nfs/dbraw/zinc/81/92/93/459819293.db2.gz MHAIZGARTWOPQZ-CYBMUJFWSA-N 1 1 343.443 3.153 50 0 EGAAMO Cc1c2cccc(F)c2oc1C(=O)N(C)CCCC[NH+]1CCOCC1 ZINC000019229566 525972724 /nfs/dbraw/zinc/97/27/24/525972724.db2.gz OHCMUMNLXBDXPT-UHFFFAOYSA-N 1 1 348.418 3.065 50 0 EGAAMO CCCCc1ccc(NC(=O)CCN2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000244602056 535090520 /nfs/dbraw/zinc/09/05/20/535090520.db2.gz DWWFJFFUHCDQLF-IBGZPJMESA-N 1 1 329.488 3.138 50 0 EGAAMO COCCc1nc([C@@H]2CCCCC[N@@H+]2C)n(Cc2ccccc2C)n1 ZINC000670470248 548221510 /nfs/dbraw/zinc/22/15/10/548221510.db2.gz HMTLKWFPFQFTRL-SFHVURJKSA-N 1 1 342.487 3.371 50 0 EGAAMO COCCc1nc([C@@H]2CCCCC[N@H+]2C)n(Cc2ccccc2C)n1 ZINC000670470248 548221514 /nfs/dbraw/zinc/22/15/14/548221514.db2.gz HMTLKWFPFQFTRL-SFHVURJKSA-N 1 1 342.487 3.371 50 0 EGAAMO CC(C)[N@H+]1CCCC[C@H]1CCNC(=O)c1cccc2c1CCC2=O ZINC000670471423 548221728 /nfs/dbraw/zinc/22/17/28/548221728.db2.gz ZZKIFMXFRABJEE-HNNXBMFYSA-N 1 1 328.456 3.198 50 0 EGAAMO C[N@H+](Cc1c[nH]nc1-c1cccc2ccccc21)C[C@@H]1COCCO1 ZINC000012316908 1291131888 /nfs/dbraw/zinc/13/18/88/1291131888.db2.gz HFIIUTUKNKNYQE-QGZVFWFLSA-N 1 1 337.423 3.077 50 0 EGAAMO CC[C@@H](c1[nH]nc2c1CN(C1CC[NH+](C)CC1)CC2)c1ccccc1 ZINC000020683184 1291194895 /nfs/dbraw/zinc/19/48/95/1291194895.db2.gz PEGKVJJWKFXHEQ-GOSISDBHSA-N 1 1 338.499 3.404 50 0 EGAAMO C[N@H+]1CCCC[C@@H]1CCn1cnc2sc3c(c2c1=O)CCCC3 ZINC000032576483 1291379674 /nfs/dbraw/zinc/37/96/74/1291379674.db2.gz VLSILNYXOWSMFJ-CYBMUJFWSA-N 1 1 331.485 3.211 50 0 EGAAMO O=C(NCCc1ccco1)[C@H](c1ccc(F)cc1)[NH+]1CCCCC1 ZINC000827647383 1292351471 /nfs/dbraw/zinc/35/14/71/1292351471.db2.gz GMVLIAJWTINFRN-SFHVURJKSA-N 1 1 330.403 3.305 50 0 EGAAMO Cc1[nH+]ccn1Cc1ccccc1NC(=O)c1cnc(C2CC2)nc1 ZINC000828199610 1292440562 /nfs/dbraw/zinc/44/05/62/1292440562.db2.gz KJMZMLWUPVGGEX-UHFFFAOYSA-N 1 1 333.395 3.160 50 0 EGAAMO CCN(C[C@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)c1ccc(OC)cc1 ZINC000888088463 1304031230 /nfs/dbraw/zinc/03/12/30/1304031230.db2.gz BCFPGPRMLMZSPB-IEBWSBKVSA-N 1 1 330.472 3.422 50 0 EGAAMO CCc1[nH+]ccn1CCC(=O)N(Cc1ccsc1)C[C@H]1CCCO1 ZINC000823557402 1320186641 /nfs/dbraw/zinc/18/66/41/1320186641.db2.gz PJZKIJFHPWVPFR-MRXNPFEDSA-N 1 1 347.484 3.105 50 0 EGAAMO CCc1[nH+]ccn1CCC(=O)N(Cc1ccsc1)C[C@@H]1CCCO1 ZINC000823557400 1320186895 /nfs/dbraw/zinc/18/68/95/1320186895.db2.gz PJZKIJFHPWVPFR-INIZCTEOSA-N 1 1 347.484 3.105 50 0 EGAAMO OCC[N@H+](Cc1ccc(F)cc1)Cc1cnc(-c2cccs2)nc1 ZINC000952963033 1334625726 /nfs/dbraw/zinc/62/57/26/1334625726.db2.gz HCIKYCICRHIVQL-UHFFFAOYSA-N 1 1 343.427 3.339 50 0 EGAAMO OCC[N@@H+](Cc1ccc(F)cc1)Cc1cnc(-c2cccs2)nc1 ZINC000952963033 1334625730 /nfs/dbraw/zinc/62/57/30/1334625730.db2.gz HCIKYCICRHIVQL-UHFFFAOYSA-N 1 1 343.427 3.339 50 0 EGAAMO O=C(Cn1ccc2ccccc21)N[C@H]1CC[N@@H+](Cc2ccsc2)C1 ZINC001016286150 1338535340 /nfs/dbraw/zinc/53/53/40/1338535340.db2.gz GUSKIRAWCAJDGJ-KRWDZBQOSA-N 1 1 339.464 3.094 50 0 EGAAMO O[C@]1(c2ccccc2)CCC[C@@H]2C[N@H+](C3CSCCSC3)C[C@@H]21 ZINC001704336963 1416448394 /nfs/dbraw/zinc/44/83/94/1416448394.db2.gz NVIXVKSHJPOAPW-MNEFBYGVSA-N 1 1 349.565 3.455 50 0 EGAAMO Cc1nc(C[N@H+]2C[C@@H](Cc3ccnc4ccccc34)[C@H](O)C2)cs1 ZINC001704343235 1416449889 /nfs/dbraw/zinc/44/98/89/1416449889.db2.gz ASUBSRKJZHUHBI-DNVCBOLYSA-N 1 1 339.464 3.035 50 0 EGAAMO Cc1nc(C[N@@H+]2C[C@@H](Cc3ccnc4ccccc34)[C@H](O)C2)cs1 ZINC001704343235 1416449891 /nfs/dbraw/zinc/44/98/91/1416449891.db2.gz ASUBSRKJZHUHBI-DNVCBOLYSA-N 1 1 339.464 3.035 50 0 EGAAMO Cc1nc2c(c(C)n1)C[C@H](C[N@H+](C)Cc1cc3cc(F)ccc3[nH]1)O2 ZINC001704352449 1416453346 /nfs/dbraw/zinc/45/33/46/1416453346.db2.gz ZBYOEYQWEDXXGI-MRXNPFEDSA-N 1 1 340.402 3.149 50 0 EGAAMO [NH3+][C@H](Cc1ccccc1)c1nnc(N2CCC(C(F)(F)F)CC2)o1 ZINC001772708582 1441417183 /nfs/dbraw/zinc/41/71/83/1441417183.db2.gz DOMVCOUWFKAQHK-CYBMUJFWSA-N 1 1 340.349 3.091 50 0 EGAAMO CC(C)N1C[C@H](C[N@@H+](C)Cc2cc(-c3ccccc3)no2)CCC1=O ZINC001772810354 1441417504 /nfs/dbraw/zinc/41/75/04/1441417504.db2.gz KTZOJANERJUYSW-INIZCTEOSA-N 1 1 341.455 3.420 50 0 EGAAMO CC[N@@H+](C)C1(CNC(=O)c2c[nH]nc2-c2cccc(F)c2)CCCC1 ZINC000097619268 219041501 /nfs/dbraw/zinc/04/15/01/219041501.db2.gz CYPIUONBNVSQBT-UHFFFAOYSA-N 1 1 344.434 3.210 50 0 EGAAMO CCN(CCOc1ccc(OC)cc1)C(=O)CC[C@@H]1CCC[N@@H+](C)C1 ZINC000055403702 214319585 /nfs/dbraw/zinc/31/95/85/214319585.db2.gz RNNYADYWCLOSIU-KRWDZBQOSA-N 1 1 348.487 3.045 50 0 EGAAMO CC(C)c1[nH+]ccn1[C@@H](C)C(=O)N(C)Cc1noc(C2CCCC2)n1 ZINC000065505736 214937607 /nfs/dbraw/zinc/93/76/07/214937607.db2.gz FGXOHCDPJCHVLZ-ZDUSSCGKSA-N 1 1 345.447 3.267 50 0 EGAAMO COc1ccc(C)cc1C(=O)NC[C@H]1CC[N@@H+](CCC(F)(F)F)C1 ZINC000067713549 215190290 /nfs/dbraw/zinc/19/02/90/215190290.db2.gz JRWPPNXKUHEGDE-CYBMUJFWSA-N 1 1 344.377 3.008 50 0 EGAAMO Cc1c2cc(F)ccc2[nH]c1C[N@H+]1CC[C@H](CNC(=O)C2CCC2)C1 ZINC000067847550 215229537 /nfs/dbraw/zinc/22/95/37/215229537.db2.gz QEDQKFYFGVJXRA-CQSZACIVSA-N 1 1 343.446 3.354 50 0 EGAAMO NC(=O)CC[N@H+]1CCc2onc(-c3ccc(-c4ccccc4)cc3)c2C1 ZINC000067871367 215235946 /nfs/dbraw/zinc/23/59/46/215235946.db2.gz FGLGUMJWVVIKNC-UHFFFAOYSA-N 1 1 347.418 3.242 50 0 EGAAMO CC(C)NC(=O)NC[C@@H]1CCC[N@@H+](Cc2cc3ccccc3[nH]2)C1 ZINC000067880093 215239610 /nfs/dbraw/zinc/23/96/10/215239610.db2.gz VRTITMXYNMDGOD-HNNXBMFYSA-N 1 1 328.460 3.088 50 0 EGAAMO CCc1c[nH]nc1[C@@H]1CCC[N@@H+](Cc2cnn3c2nc(C)cc3C)C1 ZINC000067964939 215260421 /nfs/dbraw/zinc/26/04/21/215260421.db2.gz BEXMPIKYAOXRFP-MRXNPFEDSA-N 1 1 338.459 3.011 50 0 EGAAMO COC(=O)CC[C@@H](C)[N@H+]1CCc2onc(-c3cccc(OC)c3)c2C1 ZINC000039466963 213237218 /nfs/dbraw/zinc/23/72/18/213237218.db2.gz YYUXHBFGKODZBN-CYBMUJFWSA-N 1 1 344.411 3.050 50 0 EGAAMO CCCNc1ncc(C[NH+]2CCC(Oc3cccc(F)c3)CC2)cn1 ZINC000072143148 216029079 /nfs/dbraw/zinc/02/90/79/216029079.db2.gz NCKPKMPCMQFBHO-UHFFFAOYSA-N 1 1 344.434 3.481 50 0 EGAAMO COCC[N@H+]1CC[C@]2(C1)CCCN(Cc1ccc(C(C)C)cc1)C2=O ZINC000072157933 216048831 /nfs/dbraw/zinc/04/88/31/216048831.db2.gz VLQNKLVOJVHESZ-NRFANRHFSA-N 1 1 344.499 3.271 50 0 EGAAMO COc1ccc(/C=C/C[N@H+]2CCC[C@H](c3cc(=O)[nH]c(C)n3)C2)cc1 ZINC000072169599 216060524 /nfs/dbraw/zinc/06/05/24/216060524.db2.gz QGLLOTAGNMDSPH-RCFWFJCLSA-N 1 1 339.439 3.392 50 0 EGAAMO CCNC(=O)CN1CC[NH+](Cc2ccc(C3CCCCC3)s2)CC1 ZINC000072169675 216061202 /nfs/dbraw/zinc/06/12/02/216061202.db2.gz RMELPUVMBONPTM-UHFFFAOYSA-N 1 1 349.544 3.050 50 0 EGAAMO CC(=O)c1c(C)cc(C)c(C[N@@H+]2CCC[C@]3(CN(C)C(=O)O3)C2)c1C ZINC000072408394 216200135 /nfs/dbraw/zinc/20/01/35/216200135.db2.gz JBLQMEMOPRMMJE-FQEVSTJZSA-N 1 1 344.455 3.231 50 0 EGAAMO C[C@@H]1C[N@@H+](C2CCN(Cc3ccc(Cl)s3)CC2)C[C@H](C)O1 ZINC000072432399 216226983 /nfs/dbraw/zinc/22/69/83/216226983.db2.gz VISOXELSXYLEKO-BETUJISGSA-N 1 1 328.909 3.475 50 0 EGAAMO COC(=O)c1n[nH]cc1C[NH+]1CCC(Sc2ccccc2C)CC1 ZINC000072436352 216231028 /nfs/dbraw/zinc/23/10/28/216231028.db2.gz GMAAKFLUJHZVGI-UHFFFAOYSA-N 1 1 345.468 3.261 50 0 EGAAMO COc1ccccc1[C@@H](CNC(=O)c1cccc(Cl)c1)[NH+](C)C ZINC000023712168 212391862 /nfs/dbraw/zinc/39/18/62/212391862.db2.gz XVSAFDPSBLGXFA-MRXNPFEDSA-N 1 1 332.831 3.381 50 0 biogenic EGAAMO OCC[C@@H]1CN(Cc2cc(F)cc(F)c2)CC[N@H+]1C1CCCCC1 ZINC000023361181 212369979 /nfs/dbraw/zinc/36/99/79/212369979.db2.gz NHGXIAAIBRLDKU-LJQANCHMSA-N 1 1 338.442 3.166 50 0 EGAAMO CC(C)C[N@H+]1CCN(Cc2ccc(C(F)(F)F)cc2)C[C@@H]1CCO ZINC000022932821 212336094 /nfs/dbraw/zinc/33/60/94/212336094.db2.gz PXVZAMYRIVDFQH-KRWDZBQOSA-N 1 1 344.421 3.230 50 0 EGAAMO CCn1ccnc1CN(C)[C@@H]1CCC[N@@H+](CCCc2ccccc2)C1 ZINC000022910570 212332545 /nfs/dbraw/zinc/33/25/45/212332545.db2.gz HKOGFGVAPZGRHS-HXUWFJFHSA-N 1 1 340.515 3.432 50 0 EGAAMO C[N@H+]1C[C@@H]2CC[C@H](C1)N(Cc1cnn(-c3ccccc3Cl)c1)C2 ZINC000215218013 241113774 /nfs/dbraw/zinc/11/37/74/241113774.db2.gz WNKZUQGLRRQGFI-GOEBONIOSA-N 1 1 330.863 3.052 50 0 EGAAMO CCn1ccc2c1cccc2C[N@@H+]1Cc2ccccc2C[C@H]1C(N)=O ZINC000216223642 241175855 /nfs/dbraw/zinc/17/58/55/241175855.db2.gz BEEHVXRUQDURAB-FQEVSTJZSA-N 1 1 333.435 3.073 50 0 EGAAMO CCn1ccc2c1cccc2C[N@H+]1Cc2ccccc2C[C@H]1C(N)=O ZINC000216223642 241175862 /nfs/dbraw/zinc/17/58/62/241175862.db2.gz BEEHVXRUQDURAB-FQEVSTJZSA-N 1 1 333.435 3.073 50 0 EGAAMO COc1ccc(C[N@H+]2CC[C@H]2c2ccccc2)cc1Cn1cncn1 ZINC000216282300 241180944 /nfs/dbraw/zinc/18/09/44/241180944.db2.gz POFVNCHYWKRDJU-IBGZPJMESA-N 1 1 334.423 3.282 50 0 EGAAMO C[NH+]1CCN(Cc2ccccc2C(=O)c2cccc(Cl)c2)CC1 ZINC000022028169 212271145 /nfs/dbraw/zinc/27/11/45/212271145.db2.gz WEQHNHGJQLVDKQ-UHFFFAOYSA-N 1 1 328.843 3.318 50 0 EGAAMO CCOc1ccc(C(=O)NC[C@@H](c2ccccc2OC)[NH+](C)C)cc1 ZINC000021322150 212221054 /nfs/dbraw/zinc/22/10/54/212221054.db2.gz SBARQHAMCBNWFQ-SFHVURJKSA-N 1 1 342.439 3.127 50 0 biogenic EGAAMO O=C(c1ccc(Cl)cc1)N1CCCC[C@@H]1CC[NH+]1CCOCC1 ZINC000020869021 212180464 /nfs/dbraw/zinc/18/04/64/212180464.db2.gz LEBVFTWGQBPCBB-QGZVFWFLSA-N 1 1 336.863 3.057 50 0 EGAAMO OCC[C@@H]1CN(Cc2ccc(F)c(F)c2)CC[N@H+]1Cc1ccccc1 ZINC000020913229 212185873 /nfs/dbraw/zinc/18/58/73/212185873.db2.gz BGPGRJCZKHRJLP-GOSISDBHSA-N 1 1 346.421 3.034 50 0 EGAAMO Cc1ccc(C[N@H+](CCCO)CC(=O)Nc2ccc(C)c(C)c2)cc1 ZINC000243893155 243030804 /nfs/dbraw/zinc/03/08/04/243030804.db2.gz AONDGILVYIBVPJ-UHFFFAOYSA-N 1 1 340.467 3.435 50 0 EGAAMO Cc1ccc(C[N@@H+](CCCO)CC(=O)Nc2ccc(C)c(C)c2)cc1 ZINC000243893155 243030808 /nfs/dbraw/zinc/03/08/08/243030808.db2.gz AONDGILVYIBVPJ-UHFFFAOYSA-N 1 1 340.467 3.435 50 0 EGAAMO COc1ccc(CCN(Cc2ccccn2)C[C@@H]2CCC[N@H+]2C)cc1 ZINC000244701039 243059315 /nfs/dbraw/zinc/05/93/15/243059315.db2.gz JYWFYCMIZAWMKZ-FQEVSTJZSA-N 1 1 339.483 3.229 50 0 EGAAMO COc1ccc(CC[N@@H+](Cc2ccccn2)C[C@@H]2CCCN2C)cc1 ZINC000244701039 243059321 /nfs/dbraw/zinc/05/93/21/243059321.db2.gz JYWFYCMIZAWMKZ-FQEVSTJZSA-N 1 1 339.483 3.229 50 0 EGAAMO COc1ccc(CC[N@H+](Cc2ccccn2)C[C@@H]2CCCN2C)cc1 ZINC000244701039 243059324 /nfs/dbraw/zinc/05/93/24/243059324.db2.gz JYWFYCMIZAWMKZ-FQEVSTJZSA-N 1 1 339.483 3.229 50 0 EGAAMO CC[C@@H](c1ccccn1)[N@@H+](C)CCN1CCN(c2ccccc2)CC1 ZINC000244748592 243076242 /nfs/dbraw/zinc/07/62/42/243076242.db2.gz OKNBXCQVYKUSGO-NRFANRHFSA-N 1 1 338.499 3.287 50 0 EGAAMO O=c1[nH]c(C[NH+]2CCCC2)nc2c1C1(CCCC1)Cc1ccccc1-2 ZINC000019973729 212092851 /nfs/dbraw/zinc/09/28/51/212092851.db2.gz VVQHTOFEZKHUHL-UHFFFAOYSA-N 1 1 335.451 3.401 50 0 EGAAMO COc1ccc(C(=S)N2CC[NH+](Cc3ccccc3)CC2)cc1C ZINC000019869009 212077739 /nfs/dbraw/zinc/07/77/39/212077739.db2.gz WHWSKMWICSKKBG-UHFFFAOYSA-N 1 1 340.492 3.497 50 0 EGAAMO CCOc1cc(CNC[C@@H]2CCC[N@@H+]2CC)cc(Cl)c1OC ZINC000019362501 212020963 /nfs/dbraw/zinc/02/09/63/212020963.db2.gz ZEENNJGDHOKPNN-AWEZNQCLSA-N 1 1 326.868 3.321 50 0 EGAAMO CCOc1cc(CNC[C@@H]2CCC[N@H+]2CC)cc(Cl)c1OC ZINC000019362501 212020966 /nfs/dbraw/zinc/02/09/66/212020966.db2.gz ZEENNJGDHOKPNN-AWEZNQCLSA-N 1 1 326.868 3.321 50 0 EGAAMO CC1CC[NH+]([C@H]2CC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)CC1 ZINC000019337597 212018515 /nfs/dbraw/zinc/01/85/15/212018515.db2.gz JGXDNABVDRXJFG-AWEZNQCLSA-N 1 1 341.238 3.357 50 0 EGAAMO Cn1ccc2ccc(C(=O)NC[C@@H]3CCC[N@H+]4CCCC[C@H]34)cc21 ZINC000079190143 217200480 /nfs/dbraw/zinc/20/04/80/217200480.db2.gz LJHXKSQDEWTYLC-ZWKOTPCHSA-N 1 1 325.456 3.173 50 0 biogenic EGAAMO Fc1cccc(CN2CCC[C@]3(CC[N@@H+](Cc4cnc[nH]4)C3)C2)c1F ZINC000012447607 211385805 /nfs/dbraw/zinc/38/58/05/211385805.db2.gz ZQUTURRGZRUNNJ-IBGZPJMESA-N 1 1 346.425 3.176 50 0 EGAAMO c1cc(C[N@@H+]2CCc3[nH]nc(-c4ccc5c(c4)OCO5)c3C2)cs1 ZINC000012316873 211345261 /nfs/dbraw/zinc/34/52/61/211345261.db2.gz WENAFFHCUSHWQX-UHFFFAOYSA-N 1 1 339.420 3.425 50 0 EGAAMO c1cc(C[N@H+]2CCc3[nH]nc(-c4ccc5c(c4)OCO5)c3C2)cs1 ZINC000012316873 211345265 /nfs/dbraw/zinc/34/52/65/211345265.db2.gz WENAFFHCUSHWQX-UHFFFAOYSA-N 1 1 339.420 3.425 50 0 EGAAMO CN(C(=O)/C=C/c1cccnc1)[C@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000012308161 211342721 /nfs/dbraw/zinc/34/27/21/211342721.db2.gz IYGQQGPQDRDOGC-VIOKTNGOSA-N 1 1 349.478 3.260 50 0 EGAAMO C[C@@H]1C[N@@H+](CCC(=O)NCCc2cccs2)Cc2ccccc2O1 ZINC000012159266 211309000 /nfs/dbraw/zinc/30/90/00/211309000.db2.gz LQPWPKOFXXCDSO-OAHLLOKOSA-N 1 1 344.480 3.080 50 0 EGAAMO Cc1ccc(OCC(=O)N2CC[C@]3(C2)CCC[N@@H+](CC2CC2)C3)cc1 ZINC000012073363 211286742 /nfs/dbraw/zinc/28/67/42/211286742.db2.gz JSVGCRZVMYVPRA-OAQYLSRUSA-N 1 1 342.483 3.098 50 0 EGAAMO COCCOC1CC[NH+](Cc2nc(-c3cccs3)oc2C)CC1 ZINC000012053217 211284305 /nfs/dbraw/zinc/28/43/05/211284305.db2.gz WOFLPEFKNZJIOE-UHFFFAOYSA-N 1 1 336.457 3.339 50 0 EGAAMO CC(C)Cc1cc(C(=O)NC[C@H]2CCC[N@@H+](Cc3ccco3)C2)on1 ZINC000091426043 218003540 /nfs/dbraw/zinc/00/35/40/218003540.db2.gz GYKVBTADYWOWMY-OAHLLOKOSA-N 1 1 345.443 3.108 50 0 EGAAMO Fc1cnccc1N1CCC[C@H](c2[nH+]ccn2Cc2ccncc2)C1 ZINC000091486495 218013161 /nfs/dbraw/zinc/01/31/61/218013161.db2.gz HDOBVIGALMCPGS-INIZCTEOSA-N 1 1 337.402 3.245 50 0 EGAAMO Cc1cccc(C[N@H+]2CC[C@]3(C2)CCCN(CC(C)(C)C)C3=O)n1 ZINC000011821204 211252063 /nfs/dbraw/zinc/25/20/63/211252063.db2.gz HLTXVFBHMVCYPX-FQEVSTJZSA-N 1 1 329.488 3.251 50 0 EGAAMO Cc1oc(-c2ccccc2C)nc1C[N@H+](C[C@@H]1CCC(=O)N1)C(C)C ZINC000011818433 211251825 /nfs/dbraw/zinc/25/18/25/211251825.db2.gz QIVSSLREARTGIA-INIZCTEOSA-N 1 1 341.455 3.447 50 0 EGAAMO COc1ccc(Cl)cc1C(=O)[C@@H]1CCC[N@H+](C2CCOCC2)C1 ZINC000011879165 211262737 /nfs/dbraw/zinc/26/27/37/211262737.db2.gz DROVBKVLYFXUGV-CYBMUJFWSA-N 1 1 337.847 3.422 50 0 EGAAMO CCc1nc(C)sc1C(=O)N1C[C@H]2CC[C@H](C[N@@H+]2CC2CCC2)C1 ZINC000091550475 218020455 /nfs/dbraw/zinc/02/04/55/218020455.db2.gz LULKKJJHCMQCFC-HZPDHXFCSA-N 1 1 347.528 3.350 50 0 EGAAMO C[C@@H]1C[N@@H+](C/C=C/c2ccc(F)cc2)CC[C@@]1(O)C1CCOCC1 ZINC000091574751 218023717 /nfs/dbraw/zinc/02/37/17/218023717.db2.gz FJFFVIGBRYTRPP-PQGAMBOFSA-N 1 1 333.447 3.338 50 0 EGAAMO CC(C)Cc1cc(C(=O)NC[C@@H]2CC[N@H+](C3CCCCC3)C2)n(C)n1 ZINC000091877230 218082807 /nfs/dbraw/zinc/08/28/07/218082807.db2.gz MWENZCGZEWVZPA-INIZCTEOSA-N 1 1 346.519 3.003 50 0 EGAAMO CCC[N@H+]1C[C@H]2CC[C@@H]1CN(C(=O)c1cccc(OC(F)F)c1)C2 ZINC000095362323 218295441 /nfs/dbraw/zinc/29/54/41/218295441.db2.gz ZPIWMZKZJODXBG-UKRRQHHQSA-N 1 1 338.398 3.234 50 0 EGAAMO Cc1cccc([C@H](C(=O)NCc2ccnc3ccccc23)[NH+](C)C)c1 ZINC000095371693 218304016 /nfs/dbraw/zinc/30/40/16/218304016.db2.gz LCTNVULQUYTRHH-HXUWFJFHSA-N 1 1 333.435 3.462 50 0 EGAAMO C[N@H+]1CCCC[C@@H]1CCC(=O)NCCOCc1ccc(Cl)cc1 ZINC000095377103 218309979 /nfs/dbraw/zinc/30/99/79/218309979.db2.gz LKKMRJURQSEFCU-QGZVFWFLSA-N 1 1 338.879 3.237 50 0 EGAAMO CCCn1cc(CN2C[C@H]3CC[C@H](C[N@@H+]3CC3CCC3)C2)c(C)n1 ZINC000095381162 218313251 /nfs/dbraw/zinc/31/32/51/218313251.db2.gz AZXWXZXJJBBSOU-AZUAARDMSA-N 1 1 330.520 3.298 50 0 EGAAMO COc1ccc(-n2ccnc2C[N@@H+]2CCC[C@@H](c3ccncn3)C2)cc1 ZINC000097425072 219023527 /nfs/dbraw/zinc/02/35/27/219023527.db2.gz XVCQBNUGLIQASE-MRXNPFEDSA-N 1 1 349.438 3.051 50 0 EGAAMO COc1ccc(-n2ccnc2C[N@H+]2CCC[C@@H](c3ccncn3)C2)cc1 ZINC000097425072 219023529 /nfs/dbraw/zinc/02/35/29/219023529.db2.gz XVCQBNUGLIQASE-MRXNPFEDSA-N 1 1 349.438 3.051 50 0 EGAAMO CCNC(=O)[C@H]1CC[N@@H+](Cc2ccc(OCc3ccccc3)cc2)C1 ZINC000097601152 219039913 /nfs/dbraw/zinc/03/99/13/219039913.db2.gz PBUTUGJCAAPQFV-IBGZPJMESA-N 1 1 338.451 3.224 50 0 EGAAMO c1cnn(Cc2ccc(C[N@H+]3CCC[C@H](c4ccncn4)C3)cc2)c1 ZINC000097570985 219036660 /nfs/dbraw/zinc/03/66/60/219036660.db2.gz LLJFFGYEZGHLFW-IBGZPJMESA-N 1 1 333.439 3.101 50 0 EGAAMO CC[N@H+]1CCCC[C@@H]1CNC(=O)N1CCC(c2cccc(O)c2)CC1 ZINC000426393060 257970431 /nfs/dbraw/zinc/97/04/31/257970431.db2.gz QIQRBJJYMYQEBD-GOSISDBHSA-N 1 1 345.487 3.156 50 0 EGAAMO Cc1[nH]nc(C(=O)NCC[C@H]2CCCC[N@H+]2C2CCCC2)c1Cl ZINC000299772599 258084949 /nfs/dbraw/zinc/08/49/49/258084949.db2.gz DESNQHNZIRISQX-CQSZACIVSA-N 1 1 338.883 3.289 50 0 EGAAMO Cc1n[nH]c(C(=O)NCC[C@H]2CCCC[N@@H+]2C2CCCC2)c1Cl ZINC000299772599 258084951 /nfs/dbraw/zinc/08/49/51/258084951.db2.gz DESNQHNZIRISQX-CQSZACIVSA-N 1 1 338.883 3.289 50 0 EGAAMO Cc1n[nH]c(C(=O)NCC[C@H]2CCCC[N@H+]2C2CCCC2)c1Cl ZINC000299772599 258084952 /nfs/dbraw/zinc/08/49/52/258084952.db2.gz DESNQHNZIRISQX-CQSZACIVSA-N 1 1 338.883 3.289 50 0 EGAAMO Cc1c(Cl)cccc1NC(=O)CC[N@H+](C)[C@@H](C)Cc1cnccn1 ZINC000299776448 258086633 /nfs/dbraw/zinc/08/66/33/258086633.db2.gz BRAADSOMZDYUTR-ZDUSSCGKSA-N 1 1 346.862 3.330 50 0 EGAAMO CCSc1ccc(NC(=O)N[C@@H](C)CC[NH+]2CCOCC2)cc1 ZINC000299781456 258090039 /nfs/dbraw/zinc/09/00/39/258090039.db2.gz HWIMIMMWMJJCRZ-AWEZNQCLSA-N 1 1 337.489 3.031 50 0 EGAAMO CC[N@H+]1CC[C@H](C(=O)NCc2csc(-c3cccc(C)c3)n2)C1 ZINC000299789807 258095867 /nfs/dbraw/zinc/09/58/67/258095867.db2.gz AAYXAKVZHRUERL-HNNXBMFYSA-N 1 1 329.469 3.077 50 0 EGAAMO C[N@H+](Cc1nc2ccccc2o1)C[C@@H]1CC(=O)N(c2ccccc2)C1 ZINC000299795288 258100009 /nfs/dbraw/zinc/10/00/09/258100009.db2.gz LKVONRGSRBOBKG-HNNXBMFYSA-N 1 1 335.407 3.313 50 0 EGAAMO CC(=O)Nc1ccc(C[N@H+](Cc2ccccc2)C[C@H](C)CO)cc1 ZINC000055061026 258061348 /nfs/dbraw/zinc/06/13/48/258061348.db2.gz RBFHBQMPBPSGRK-INIZCTEOSA-N 1 1 326.440 3.276 50 0 EGAAMO COc1ccc(-n2ccnc2C[N@@H+](C)CCC[C@H]2CCCO2)cc1 ZINC000216024726 258072066 /nfs/dbraw/zinc/07/20/66/258072066.db2.gz BFBLKIRWXKHYSQ-SFHVURJKSA-N 1 1 329.444 3.272 50 0 EGAAMO CN(C[C@@H]1Cc2ccccc2C[N@H+]1C)C(=O)c1cnc2c(c1)CCCC2 ZINC000299759245 258076646 /nfs/dbraw/zinc/07/66/46/258076646.db2.gz DDPCVBUBTWGGCR-FQEVSTJZSA-N 1 1 349.478 3.089 50 0 EGAAMO COc1cccc(-c2cc3c(c(OC)c2)OCC[N@H+](C(C)C)C3)n1 ZINC000011910951 274144313 /nfs/dbraw/zinc/14/43/13/274144313.db2.gz PYMLCDKLPBNGQL-UHFFFAOYSA-N 1 1 328.412 3.369 50 0 EGAAMO COc1cc(C[N@H+]2CCC[C@H](O)C2)ccc1OCc1ccccc1 ZINC000004988588 275116924 /nfs/dbraw/zinc/11/69/24/275116924.db2.gz XJGQGPCPQKCNON-SFHVURJKSA-N 1 1 327.424 3.231 50 0 EGAAMO Cc1cc(C)c(S(=O)(=O)NCCC[N@@H+]2CCC[C@H](C)C2)c(C)c1 ZINC000071375709 280396081 /nfs/dbraw/zinc/39/60/81/280396081.db2.gz JKBWTGPHBINSKU-AWEZNQCLSA-N 1 1 338.517 3.012 50 0 EGAAMO Cc1[nH]c2c(cc(F)cc2F)c1CCNC(=O)[C@@H]1CCCCC[N@@H+]1C ZINC000244724283 455275485 /nfs/dbraw/zinc/27/54/85/455275485.db2.gz MREDYCKXQHSKRV-KRWDZBQOSA-N 1 1 349.425 3.288 50 0 EGAAMO C[C@H]1CCCC[N@H+]1CC(=O)NCc1cc(-c2ccccc2Cl)on1 ZINC000244734693 455276523 /nfs/dbraw/zinc/27/65/23/455276523.db2.gz NKELILFNGBJMJA-ZDUSSCGKSA-N 1 1 347.846 3.486 50 0 EGAAMO C[C@@H]1C[C@@](O)(CC(O)(c2ccccc2)c2ccccc2)[C@@H](C)C[N@H+]1C ZINC000000036733 452493049 /nfs/dbraw/zinc/49/30/49/452493049.db2.gz RICXMDIFJNHTOE-WAOWUJCRSA-N 1 1 339.479 3.404 50 0 EGAAMO CCOC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2Br)C1 ZINC000000237235 452543572 /nfs/dbraw/zinc/54/35/72/452543572.db2.gz CYBHGRMOUGHKPK-CYBMUJFWSA-N 1 1 326.234 3.224 50 0 EGAAMO COc1ccc(CC[N@@H+](C)CCC(=O)Nc2ccccc2)cc1OC ZINC000001178326 452647431 /nfs/dbraw/zinc/64/74/31/452647431.db2.gz JJZNVZAUTIVJAJ-UHFFFAOYSA-N 1 1 342.439 3.207 50 0 EGAAMO COc1cccc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](C)C4)c1 ZINC000001299286 452651770 /nfs/dbraw/zinc/65/17/70/452651770.db2.gz ZYKHCKHCBKLAPL-OAHLLOKOSA-N 1 1 329.425 3.174 50 0 EGAAMO COc1cccc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](C)C4)c1 ZINC000001299286 452651780 /nfs/dbraw/zinc/65/17/80/452651780.db2.gz ZYKHCKHCBKLAPL-OAHLLOKOSA-N 1 1 329.425 3.174 50 0 EGAAMO COc1cccc([C@H]2c3cc(OC)c(OC)cc3CC[N@H+]2C)c1OC ZINC000003182912 452748699 /nfs/dbraw/zinc/74/86/99/452748699.db2.gz VBXOYPBJXJNRTP-IBGZPJMESA-N 1 1 343.423 3.298 50 0 EGAAMO COc1cccc([C@H]2c3cc(OC)c(OC)cc3CC[N@@H+]2C)c1OC ZINC000003182912 452748701 /nfs/dbraw/zinc/74/87/01/452748701.db2.gz VBXOYPBJXJNRTP-IBGZPJMESA-N 1 1 343.423 3.298 50 0 EGAAMO CC[N@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(O)cc2)N3)C1 ZINC000004555604 452808716 /nfs/dbraw/zinc/80/87/16/452808716.db2.gz UHXUMBCPKWNLHJ-OAHLLOKOSA-N 1 1 329.425 3.261 50 0 EGAAMO CCC(=O)N(Cc1ccc(OC)c(OC)c1)[C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000006493280 452946959 /nfs/dbraw/zinc/94/69/59/452946959.db2.gz PLOYJZJBKMLKKY-HLLBOEOZSA-N 1 1 348.487 3.171 50 0 EGAAMO Cc1[nH]c2ccc(Cl)cc2c(=O)c1C[N@H+](C)C1CCN(C)CC1 ZINC000008700890 453222637 /nfs/dbraw/zinc/22/26/37/453222637.db2.gz XHNXOBLGZUSPMS-UHFFFAOYSA-N 1 1 333.863 3.428 50 0 EGAAMO Cc1[nH]c2ccc(Cl)cc2c(=O)c1CN(C)C1CC[NH+](C)CC1 ZINC000008700890 453222644 /nfs/dbraw/zinc/22/26/44/453222644.db2.gz XHNXOBLGZUSPMS-UHFFFAOYSA-N 1 1 333.863 3.428 50 0 EGAAMO CCc1ccc2oc(=O)cc(C[NH+]3CCN(c4ccccn4)CC3)c2c1 ZINC000012413488 453361246 /nfs/dbraw/zinc/36/12/46/453361246.db2.gz OAUXOLFBALGKAQ-UHFFFAOYSA-N 1 1 349.434 3.073 50 0 biogenic,in-vitro EGAAMO C1=CC[C@H](C[N@H+]2CCOc3ccc(CN4CCOCC4)cc3C2)CC1 ZINC000014992937 453550911 /nfs/dbraw/zinc/55/09/11/453550911.db2.gz ZSPADRMKCPSSEA-SFHVURJKSA-N 1 1 342.483 3.070 50 0 EGAAMO COc1ccccc1N1CCN([C@H]2CCC[N@H+](C3CCCC3)C2)CC1 ZINC000019336271 453656831 /nfs/dbraw/zinc/65/68/31/453656831.db2.gz RHZMWLWHCCJREN-IBGZPJMESA-N 1 1 343.515 3.224 50 0 EGAAMO Cc1[nH+]ccn1CCCNC(=O)c1cc(C)nc2c(C)cc(C)cc12 ZINC000077357527 454097004 /nfs/dbraw/zinc/09/70/04/454097004.db2.gz BWKOCYVGOJAFLS-UHFFFAOYSA-N 1 1 336.439 3.485 50 0 EGAAMO CCn1ccnc1C[N@@H+]1CCC[C@@]2(CCC(=O)N(CCC(C)C)C2)C1 ZINC000077469721 454109186 /nfs/dbraw/zinc/10/91/86/454109186.db2.gz OAWMZTSLYAFLOE-HXUWFJFHSA-N 1 1 346.519 3.154 50 0 EGAAMO CCn1ccnc1C[N@H+]1CCC[C@@]2(CCC(=O)N(CCC(C)C)C2)C1 ZINC000077469721 454109188 /nfs/dbraw/zinc/10/91/88/454109188.db2.gz OAWMZTSLYAFLOE-HXUWFJFHSA-N 1 1 346.519 3.154 50 0 EGAAMO Cn1nc(-c2nccn2[C@@H]2CCC[N@@H+](C)C2)c2c1cccc2Cl ZINC000077505452 454115474 /nfs/dbraw/zinc/11/54/74/454115474.db2.gz FJYOYRQONAHLGU-GFCCVEGCSA-N 1 1 329.835 3.357 50 0 EGAAMO COc1cc(C[N@H+]2CCC[C@@]3(CCC(=O)N(C4CC4)C3)C2)ccc1F ZINC000077504733 454115507 /nfs/dbraw/zinc/11/55/07/454115507.db2.gz OKHMZOSDIAMLTL-HXUWFJFHSA-N 1 1 346.446 3.201 50 0 EGAAMO c1ccc(-c2ccc(N3CCC[N@H+](Cc4cccnc4)CC3)nn2)cc1 ZINC000077540402 454119760 /nfs/dbraw/zinc/11/97/60/454119760.db2.gz GAOPCDFDOVCVHH-UHFFFAOYSA-N 1 1 345.450 3.251 50 0 EGAAMO COC(=O)c1ccc(C[N@H+]2CCCC[C@H]2CCn2ccnc2C)cc1 ZINC000077564298 454124109 /nfs/dbraw/zinc/12/41/09/454124109.db2.gz HTBMGOKWGLPRQG-IBGZPJMESA-N 1 1 341.455 3.423 50 0 EGAAMO Oc1cccc(C[N@H+]2C[C@H](c3ccccc3)[C@@H]3[C@H]2C2CCN3CC2)c1 ZINC000071750889 454213582 /nfs/dbraw/zinc/21/35/82/454213582.db2.gz CWICTXXXEWJNDV-YPAWHYETSA-N 1 1 334.463 3.454 50 0 EGAAMO O=C(COc1cccc(Cl)c1)N1C[C@H]2CC[C@H](C[N@@H+]2CC2CC2)C1 ZINC000095504871 454223709 /nfs/dbraw/zinc/22/37/09/454223709.db2.gz YTEOCSMAWMZANH-NVXWUHKLSA-N 1 1 348.874 3.052 50 0 EGAAMO CCc1nc(C)c(CNC(=O)[C@H]2CCC[N@@H+](Cc3ccco3)C2)s1 ZINC000095526100 454227719 /nfs/dbraw/zinc/22/77/19/454227719.db2.gz NWFOCLQURDXTFT-AWEZNQCLSA-N 1 1 347.484 3.135 50 0 EGAAMO c1coc(-c2ncc(CN3C[C@H]4CC[C@H](C[N@@H+]4CC4CC4)C3)cn2)c1 ZINC000095529214 454228997 /nfs/dbraw/zinc/22/89/97/454228997.db2.gz YCXIRFJHCVFKHN-FUHWJXTLSA-N 1 1 338.455 3.043 50 0 EGAAMO CN(Cc1ncccn1)C[C@@H]1CCC[N@@H+](CCc2ccccc2F)C1 ZINC000095529468 454229412 /nfs/dbraw/zinc/22/94/12/454229412.db2.gz JSMNLGHCHDNGLH-KRWDZBQOSA-N 1 1 342.462 3.002 50 0 EGAAMO C[N@H+]1C[C@H](c2ccccc2)CC12CCN(C(=O)c1ccncc1)CC2 ZINC000095530221 454229488 /nfs/dbraw/zinc/22/94/88/454229488.db2.gz FKDQPDLRTDTAIH-LJQANCHMSA-N 1 1 335.451 3.176 50 0 EGAAMO Fc1ccccc1C[N@H+]1CCC[C@]2(CCN(c3ncccn3)C2)C1 ZINC000072143528 454272897 /nfs/dbraw/zinc/27/28/97/454272897.db2.gz IIVGZEDTZBSXKY-IBGZPJMESA-N 1 1 326.419 3.108 50 0 EGAAMO OCCOCC[N@H+]1CCCC(c2ccccc2)(c2ccccc2)C1 ZINC000091304194 454423254 /nfs/dbraw/zinc/42/32/54/454423254.db2.gz JYPQTCQXIRGGMI-UHFFFAOYSA-N 1 1 325.452 3.077 50 0 EGAAMO Cc1ccc(NC[C@@H]2CC[N@H+](Cc3nnc(-c4ccccc4)o3)C2)nc1 ZINC000097200755 454423858 /nfs/dbraw/zinc/42/38/58/454423858.db2.gz CWWUJCUFNSRLFO-INIZCTEOSA-N 1 1 349.438 3.374 50 0 EGAAMO Cc1ccc(NC[C@@H]2CC[N@@H+](Cc3nnc(-c4ccccc4)o3)C2)nc1 ZINC000097200755 454423865 /nfs/dbraw/zinc/42/38/65/454423865.db2.gz CWWUJCUFNSRLFO-INIZCTEOSA-N 1 1 349.438 3.374 50 0 EGAAMO Cc1ccc(OC[C@H]2CCC[N@@H+](Cc3cnc4nccn4c3)C2)cc1 ZINC000063846906 454454602 /nfs/dbraw/zinc/45/46/02/454454602.db2.gz WCNNZJASQBPYIH-KRWDZBQOSA-N 1 1 336.439 3.329 50 0 EGAAMO Cc1[nH+]ccn1CC[C@@H]1CCCCN1C(=O)c1cc(CC(C)C)on1 ZINC000065388205 454557101 /nfs/dbraw/zinc/55/71/01/454557101.db2.gz LYNTWNDLGJWQIX-INIZCTEOSA-N 1 1 344.459 3.463 50 0 EGAAMO COc1ccc(CN2CC[N@H+](C3CCCC3)C[C@H]2CCO)c(C)c1C ZINC000104443360 454586432 /nfs/dbraw/zinc/58/64/32/454586432.db2.gz HMEKYUWZEMWWRH-HXUWFJFHSA-N 1 1 346.515 3.123 50 0 EGAAMO COc1ccccc1/C=C/CN1CC[N@@H+](CC(C)(C)C)[C@H](CCO)C1 ZINC000105265970 454631047 /nfs/dbraw/zinc/63/10/47/454631047.db2.gz RAENIIROEBGIHH-QRBZPYHOSA-N 1 1 346.515 3.123 50 0 EGAAMO C[C@@H](C(=O)N1CCC[N@H+](C2CCCC2)CC1)n1cnc2ccccc21 ZINC000172418184 455152620 /nfs/dbraw/zinc/15/26/20/455152620.db2.gz NAFHMNOUIGEGAQ-INIZCTEOSA-N 1 1 340.471 3.074 50 0 EGAAMO Cc1cccc(C)c1OCC[N@H+]1CCC[C@H](c2nnc3n2CCC3)C1 ZINC000195520946 455978102 /nfs/dbraw/zinc/97/81/02/455978102.db2.gz MOPDCLAQHXDOQK-KRWDZBQOSA-N 1 1 340.471 3.100 50 0 EGAAMO CC(C)(C)[N@@H+](Cc1ccccc1)Cc1ccccc1S(N)(=O)=O ZINC000225521275 456091086 /nfs/dbraw/zinc/09/10/86/456091086.db2.gz DDARRQBKSILFPR-UHFFFAOYSA-N 1 1 332.469 3.135 50 0 EGAAMO O=C(c1ccsc1)N1CCC[N@@H+](CCCOc2ccccc2)CC1 ZINC000298764360 456534414 /nfs/dbraw/zinc/53/44/14/456534414.db2.gz BCFXYKVUMVZAQU-UHFFFAOYSA-N 1 1 344.480 3.365 50 0 EGAAMO Cc1nc(CNC(=O)[C@H]2C[C@@H](c3ccccc3)[N@H+]3CCC[C@H]23)cs1 ZINC000299769839 456780302 /nfs/dbraw/zinc/78/03/02/456780302.db2.gz RNNAVVSYAUUKLA-KSZLIROESA-N 1 1 341.480 3.293 50 0 EGAAMO CO[C@]12CC[N@@H+](Cc3csc(C)n3)[C@H]1C[C@H](OCC1CC1)CC2 ZINC000426389561 457819658 /nfs/dbraw/zinc/81/96/58/457819658.db2.gz CJJQYIRGENRJCO-FGTMMUONSA-N 1 1 336.501 3.390 50 0 EGAAMO COc1cc(Cl)c(C[N@H+]2CCC[C@@H](c3ncc[nH]3)C2)cc1OC ZINC000637952279 461147687 /nfs/dbraw/zinc/14/76/87/461147687.db2.gz MLLZOHIPHHUNOH-GFCCVEGCSA-N 1 1 335.835 3.460 50 0 EGAAMO Cc1[nH+]ccn1CC[C@H]1CCCCN1C(=O)c1ccc(N(C)C)cc1 ZINC000082138991 1292678439 /nfs/dbraw/zinc/67/84/39/1292678439.db2.gz HGUNMVVCAZVKJF-LJQANCHMSA-N 1 1 340.471 3.343 50 0 EGAAMO Cc1[nH+]ccn1CC[C@@H]1CCCCN1C(=O)c1snnc1C(C)C ZINC000952982782 1334630186 /nfs/dbraw/zinc/63/01/86/1334630186.db2.gz QTIXLSFDBQHJDZ-AWEZNQCLSA-N 1 1 347.488 3.251 50 0 EGAAMO COc1ccc(OC)c([C@@H]2CC[N@@H+](CCn3cc(Cl)cn3)C2)c1 ZINC001704348392 1416451618 /nfs/dbraw/zinc/45/16/18/1416451618.db2.gz MBDMUEXZQOLFFH-CYBMUJFWSA-N 1 1 335.835 3.043 50 0 EGAAMO CCc1[nH+]ccn1CCCNc1nnc(CSc2ccncc2)o1 ZINC001772707053 1441417045 /nfs/dbraw/zinc/41/70/45/1441417045.db2.gz XXYUJWSELIPIAY-UHFFFAOYSA-N 1 1 344.444 3.018 50 0 EGAAMO CC/C=C(/C[N@H+]1CCCN(C(=O)[C@@H]2CCCO2)CC1)c1ccccc1 ZINC001772805513 1441417437 /nfs/dbraw/zinc/41/74/37/1441417437.db2.gz MLHZYZDETVMKCS-CLPJQNCZSA-N 1 1 342.483 3.193 50 0 EGAAMO CC[C@H]([NH2+]Cc1c(C)cc(C)c(COC(C)=O)c1C)c1ncnn1C ZINC000055308504 214305653 /nfs/dbraw/zinc/30/56/53/214305653.db2.gz QQKQFTJINRIOID-SFHVURJKSA-N 1 1 344.459 3.044 50 0 EGAAMO CC(C)C[N@@H+](Cc1cnn(C)c1)Cc1ccccc1Cn1cccn1 ZINC000055370180 214313291 /nfs/dbraw/zinc/31/32/91/214313291.db2.gz WXUWGBCCLAFKQF-UHFFFAOYSA-N 1 1 337.471 3.323 50 0 EGAAMO CN(C[C@@]1(C)CC[N@@H+](C)C1)C(=O)c1cccc(-c2ccc(O)cc2)c1 ZINC000055360475 214311505 /nfs/dbraw/zinc/31/15/05/214311505.db2.gz GYOWTJYKKCHKAD-NRFANRHFSA-N 1 1 338.451 3.473 50 0 EGAAMO C[N@H+]1CC[C@H](C(=O)NCCCSCc2ccccc2Cl)C1 ZINC000097823134 219058929 /nfs/dbraw/zinc/05/89/29/219058929.db2.gz YQQPFDKKJQESSU-ZDUSSCGKSA-N 1 1 326.893 3.031 50 0 EGAAMO O=C(NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccc(F)cc1F ZINC000067446691 215147341 /nfs/dbraw/zinc/14/73/41/215147341.db2.gz RSUUYCYAVBYNSJ-HNNXBMFYSA-N 1 1 330.378 3.217 50 0 EGAAMO Cc1ccc(-c2c[nH]nc2[C@@H]2CCC[N@H+](Cc3nccn3C)C2)cc1 ZINC000067641298 215170171 /nfs/dbraw/zinc/17/01/71/215170171.db2.gz NEDQOHGMCSRQSW-QGZVFWFLSA-N 1 1 335.455 3.498 50 0 EGAAMO Cc1cc(C[N@@H+]2CCC[C@@H](C)C2)c(C)c(-c2nccn2CCO)c1 ZINC000067774709 215211082 /nfs/dbraw/zinc/21/10/82/215211082.db2.gz YOEOPTAYYIFIBX-OAHLLOKOSA-N 1 1 327.472 3.391 50 0 EGAAMO C[N@@H+]1[C@@H]2CC[C@H]1CCN(Cc1cnc3c(-c4ccccc4)cnn3c1)C2 ZINC000067805966 215218234 /nfs/dbraw/zinc/21/82/34/215218234.db2.gz ZHPQSQQWUUUJQU-RBUKOAKNSA-N 1 1 347.466 3.065 50 0 EGAAMO CC[C@H](O)C[N@H+]1CCOc2c(O)cc(-c3ccccc3C)cc2C1 ZINC000067909831 215248075 /nfs/dbraw/zinc/24/80/75/215248075.db2.gz UGEIXLZJAMEVGE-KRWDZBQOSA-N 1 1 327.424 3.333 50 0 EGAAMO OCC[N@@H+]1CCc2onc(C(c3ccccc3)c3ccccc3)c2C1 ZINC000067935400 215254635 /nfs/dbraw/zinc/25/46/35/215254635.db2.gz XIIKCQUPXHIKJO-UHFFFAOYSA-N 1 1 334.419 3.205 50 0 EGAAMO OCC[N@H+]1CCc2onc(C(c3ccccc3)c3ccccc3)c2C1 ZINC000067935400 215254638 /nfs/dbraw/zinc/25/46/38/215254638.db2.gz XIIKCQUPXHIKJO-UHFFFAOYSA-N 1 1 334.419 3.205 50 0 EGAAMO C[C@H](c1ccco1)[N@@H+](C)Cc1cc2cc3c(cc2[nH]c1=O)OCO3 ZINC000067975065 215264624 /nfs/dbraw/zinc/26/46/24/215264624.db2.gz YMMNZRGIJGUJMH-LLVKDONJSA-N 1 1 326.352 3.043 50 0 EGAAMO CC[C@](C)([NH2+]Cc1ccccc1)c1nnnn1-c1ccc(OC)cc1 ZINC000035622191 213042810 /nfs/dbraw/zinc/04/28/10/213042810.db2.gz BEQLWFCACYYJNI-IBGZPJMESA-N 1 1 337.427 3.086 50 0 EGAAMO O=C1Nc2ccccc2[C@@]12CCC[N@@H+](Cc1ccc(-c3cc[nH]n3)o1)C2 ZINC000072147263 216034103 /nfs/dbraw/zinc/03/41/03/216034103.db2.gz WANGZIVKLVXFPQ-FQEVSTJZSA-N 1 1 348.406 3.156 50 0 EGAAMO CCCn1cc(C[N@@H+]2CCN(c3ccccc3OC)C[C@@H]2C)c(C)n1 ZINC000072158993 216048486 /nfs/dbraw/zinc/04/84/86/216048486.db2.gz OSQSTEOEWKIFTD-INIZCTEOSA-N 1 1 342.487 3.321 50 0 EGAAMO CCCn1cc(C[N@H+]2CCN(c3ccccc3OC)C[C@@H]2C)c(C)n1 ZINC000072158993 216048488 /nfs/dbraw/zinc/04/84/88/216048488.db2.gz OSQSTEOEWKIFTD-INIZCTEOSA-N 1 1 342.487 3.321 50 0 EGAAMO CCN(CC)C(=O)C[N@H+]1CCC[C@@H](CCc2ccc(F)cc2F)C1 ZINC000072167293 216057992 /nfs/dbraw/zinc/05/79/92/216057992.db2.gz ZCFFKZLKSKGDBP-HNNXBMFYSA-N 1 1 338.442 3.478 50 0 EGAAMO COc1cc(N2CCC([C@H]3CC[N@@H+](CC(C)(C)C)C3)CC2)ncn1 ZINC000072168571 216059758 /nfs/dbraw/zinc/05/97/58/216059758.db2.gz ZWPRRSLRAHLOKS-INIZCTEOSA-N 1 1 332.492 3.070 50 0 EGAAMO Cc1cccn2cc(C[N@H+]3CCCC[C@H]3CCN3CCCC3=O)nc12 ZINC000072171213 216062457 /nfs/dbraw/zinc/06/24/57/216062457.db2.gz OZXNXOBUTNAWFY-SFHVURJKSA-N 1 1 340.471 3.010 50 0 EGAAMO Cc1cc(C(=O)N2CCC[C@H]2[C@@H]2CCC[N@H+]2Cc2ccccc2)on1 ZINC000072280491 216108244 /nfs/dbraw/zinc/10/82/44/216108244.db2.gz HTUKOXMLIZSHIX-ROUUACIJSA-N 1 1 339.439 3.252 50 0 EGAAMO Cn1ccnc1-c1nccn1CC(C)(C)[N@H+]1CCc2ccccc2C1 ZINC000072428383 216218636 /nfs/dbraw/zinc/21/86/36/216218636.db2.gz QVTWNBBMEOHWQI-UHFFFAOYSA-N 1 1 335.455 3.121 50 0 EGAAMO Cc1cc2nc(C)cc(N3CCC([N@@H+](C)Cc4ccccc4)CC3)n2n1 ZINC000072480796 216259617 /nfs/dbraw/zinc/25/96/17/216259617.db2.gz PHYBPTUJLIKEKO-UHFFFAOYSA-N 1 1 349.482 3.447 50 0 EGAAMO Cc1noc2ncnc(N[C@@H]3CCC[N@@H+](CC4CCCCC4)C3)c12 ZINC000072480985 216260094 /nfs/dbraw/zinc/26/00/94/216260094.db2.gz LCDBRHMDYZDYAU-OAHLLOKOSA-N 1 1 329.448 3.383 50 0 EGAAMO Cc1nn(C)c(Cl)c1CN1CCC[C@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000023361128 212370316 /nfs/dbraw/zinc/37/03/16/212370316.db2.gz VBHZXNYDJLDQAF-KRWDZBQOSA-N 1 1 346.906 3.478 50 0 EGAAMO Cc1[nH]c2c(cccc2C[N@H+](CCN(C)C)C[C@@H]2CCCO2)c1C ZINC000215518452 241130583 /nfs/dbraw/zinc/13/05/83/241130583.db2.gz ZMGWVVVEJILUBX-SFHVURJKSA-N 1 1 329.488 3.327 50 0 EGAAMO Cc1[nH]c2c(cccc2C[N@@H+](CCN(C)C)C[C@@H]2CCCO2)c1C ZINC000215518452 241130589 /nfs/dbraw/zinc/13/05/89/241130589.db2.gz ZMGWVVVEJILUBX-SFHVURJKSA-N 1 1 329.488 3.327 50 0 EGAAMO CN1CC[N@@H+](Cc2ccccc2Cn2cccn2)C[C@@H]1c1ccccc1 ZINC000215590002 241134389 /nfs/dbraw/zinc/13/43/89/241134389.db2.gz WAOSAJVSVHZXDN-JOCHJYFZSA-N 1 1 346.478 3.420 50 0 EGAAMO C[N@@H+]1CCN(Cc2ccccc2Cn2cccn2)C[C@@H]1c1ccccc1 ZINC000215590002 241134395 /nfs/dbraw/zinc/13/43/95/241134395.db2.gz WAOSAJVSVHZXDN-JOCHJYFZSA-N 1 1 346.478 3.420 50 0 EGAAMO C[N@H+]1CCN(Cc2ccccc2Cn2cccn2)C[C@@H]1c1ccccc1 ZINC000215590002 241134399 /nfs/dbraw/zinc/13/43/99/241134399.db2.gz WAOSAJVSVHZXDN-JOCHJYFZSA-N 1 1 346.478 3.420 50 0 EGAAMO C[NH+]1CCN(Cc2cccc(C(=O)c3ccc(Cl)cc3F)c2)CC1 ZINC000022028061 212271490 /nfs/dbraw/zinc/27/14/90/212271490.db2.gz MSSDPYLRDREJDW-UHFFFAOYSA-N 1 1 346.833 3.458 50 0 EGAAMO CSc1ccccc1C(=O)c1ccccc1CN1CC[NH+](C)CC1 ZINC000022028157 212271205 /nfs/dbraw/zinc/27/12/05/212271205.db2.gz GCNFCBDOSQHEDU-UHFFFAOYSA-N 1 1 340.492 3.387 50 0 EGAAMO Clc1ccccc1[C@@H]1CC[N@H+](Cc2nc(-c3cnccn3)no2)C1 ZINC000020994985 212196247 /nfs/dbraw/zinc/19/62/47/212196247.db2.gz BKADKYUKGJPPLK-GFCCVEGCSA-N 1 1 341.802 3.170 50 0 EGAAMO Clc1ccccc1[C@@H]1CC[N@@H+](Cc2nc(-c3cnccn3)no2)C1 ZINC000020994985 212196250 /nfs/dbraw/zinc/19/62/50/212196250.db2.gz BKADKYUKGJPPLK-GFCCVEGCSA-N 1 1 341.802 3.170 50 0 EGAAMO CC(C)(C)C[N@H+]1CCN(Cc2cc3ccccc3[nH]2)C[C@@H]1CCO ZINC000020917819 212188076 /nfs/dbraw/zinc/18/80/76/212188076.db2.gz ISOXFQUFDFKPIZ-SFHVURJKSA-N 1 1 329.488 3.083 50 0 EGAAMO CCc1ccc(NC(=O)CCN(C)CC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000244763981 243076909 /nfs/dbraw/zinc/07/69/09/243076909.db2.gz OZCRWIDYRCWZHN-KRWDZBQOSA-N 1 1 331.504 3.384 50 0 EGAAMO C[C@@H]1C[N@H+](C[C@@H]2C(=O)O[C@@H]3C[C@@]4(C)CCC[C@H](C)C4=C[C@H]23)C[C@H](C)O1 ZINC000020612360 212155094 /nfs/dbraw/zinc/15/50/94/212155094.db2.gz ATYCRKJZBGDSRF-KCSXBHPESA-N 1 1 347.499 3.410 50 0 biogenic EGAAMO CC(C)[N@H+]1CCN(Cc2ccccc2OC2CCCC2)C[C@@H]1CCO ZINC000020600388 212151504 /nfs/dbraw/zinc/15/15/04/212151504.db2.gz XFPKLITVRMKDLQ-IBGZPJMESA-N 1 1 346.515 3.285 50 0 EGAAMO CCc1ccc2c(c1)c1nc(C)sc1n2CC[NH+]1CCOCC1 ZINC000020504070 212141799 /nfs/dbraw/zinc/14/17/99/212141799.db2.gz ONEKXBGMSNAOJV-UHFFFAOYSA-N 1 1 329.469 3.454 50 0 EGAAMO Cc1c[nH]c(C[N@@H+](CCCO)Cc2ccc(Cl)cc2)c(C)c1=O ZINC000253536462 244012687 /nfs/dbraw/zinc/01/26/87/244012687.db2.gz GDHWRLZOOCDZQJ-UHFFFAOYSA-N 1 1 334.847 3.442 50 0 EGAAMO Cc1ccc(C[N@@H+]2CCN(Cc3ccccc3Cl)C[C@@H]2CCO)o1 ZINC000020454024 212130754 /nfs/dbraw/zinc/13/07/54/212130754.db2.gz HXNRWOIDVLXEBD-KRWDZBQOSA-N 1 1 348.874 3.310 50 0 EGAAMO Cc1ccc(C[N@H+]2CCN(Cc3ccccc3Cl)C[C@@H]2CCO)o1 ZINC000020454024 212130757 /nfs/dbraw/zinc/13/07/57/212130757.db2.gz HXNRWOIDVLXEBD-KRWDZBQOSA-N 1 1 348.874 3.310 50 0 EGAAMO CSc1cccc(CN2CC[N@@H+](CC(C)(C)C)[C@@H](CCO)C2)c1 ZINC000020453096 212131082 /nfs/dbraw/zinc/13/10/82/212131082.db2.gz DYLDHMJWIRYKAP-KRWDZBQOSA-N 1 1 336.545 3.323 50 0 EGAAMO CC(C)[N@H+]1CCN(Cc2nc(-c3ccccc3)cs2)C[C@@H]1CCO ZINC000020406988 212125661 /nfs/dbraw/zinc/12/56/61/212125661.db2.gz BCPPBWBMSVWBCA-KRWDZBQOSA-N 1 1 345.512 3.087 50 0 EGAAMO Cc1ccc(NC(=O)CN2CC[NH+](Cc3ccccc3)CC2)cc1C ZINC000020394698 212124736 /nfs/dbraw/zinc/12/47/36/212124736.db2.gz JNCQWYCDNWXLTC-UHFFFAOYSA-N 1 1 337.467 3.060 50 0 EGAAMO Cc1ccccc1C[N@H+]1CCN(CCc2ccccc2)C[C@@H]1CCO ZINC000020205898 212112715 /nfs/dbraw/zinc/11/27/15/212112715.db2.gz WIKXTGXCLMHCKB-QFIPXVFZSA-N 1 1 338.495 3.106 50 0 EGAAMO Cc1ccccc1CN1CC[N@H+](CCc2ccccc2)C[C@@H]1CCO ZINC000020205898 212112716 /nfs/dbraw/zinc/11/27/16/212112716.db2.gz WIKXTGXCLMHCKB-QFIPXVFZSA-N 1 1 338.495 3.106 50 0 EGAAMO Cc1ccccc1CN1CC[N@@H+](CCc2ccccc2)C[C@@H]1CCO ZINC000020205898 212112718 /nfs/dbraw/zinc/11/27/18/212112718.db2.gz WIKXTGXCLMHCKB-QFIPXVFZSA-N 1 1 338.495 3.106 50 0 EGAAMO c1nc(-c2ccccc2)[nH]c1CN1CC[NH+](CCc2ccccc2)CC1 ZINC000020209540 212112375 /nfs/dbraw/zinc/11/23/75/212112375.db2.gz PFWGKLSDNVALAB-UHFFFAOYSA-N 1 1 346.478 3.437 50 0 EGAAMO CSc1ccc(C[NH+]2CCC(N3C[C@@H](C)O[C@H](C)C3)CC2)cc1 ZINC000019885206 212079727 /nfs/dbraw/zinc/07/97/27/212079727.db2.gz QYXUAMJTHQYQLW-HZPDHXFCSA-N 1 1 334.529 3.482 50 0 EGAAMO Cc1c([C@@H](C)NC2CC[NH+](C)CC2)cnn1-c1ccc(F)cc1F ZINC000019229557 212007167 /nfs/dbraw/zinc/00/71/67/212007167.db2.gz FTBMIXYVIMQZLQ-GFCCVEGCSA-N 1 1 334.414 3.204 50 0 EGAAMO Cc1ccccc1O[C@H](C)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000016605597 211918887 /nfs/dbraw/zinc/91/88/87/211918887.db2.gz XRVGSHPMCPBFSA-GOSISDBHSA-N 1 1 338.451 3.107 50 0 EGAAMO O=C(NC[C@H]1CCC[N@H+](Cc2ccc(O)cc2)C1)c1ccc(F)cc1 ZINC000012073171 211286014 /nfs/dbraw/zinc/28/60/14/211286014.db2.gz GTBVXQOQDMYBAI-MRXNPFEDSA-N 1 1 342.414 3.173 50 0 EGAAMO OCCC[C@@H]1CCC[N@@H+](Cc2nc(-c3cccc(Cl)c3)no2)C1 ZINC000012019934 211279834 /nfs/dbraw/zinc/27/98/34/211279834.db2.gz ZRRRRNAQGMMURP-ZDUSSCGKSA-N 1 1 335.835 3.375 50 0 EGAAMO COCCC[C@]1(CO)CCC[N@H+](Cc2ccc(F)cc2Cl)C1 ZINC000091381813 218000105 /nfs/dbraw/zinc/00/01/05/218000105.db2.gz XCZFIXZQBYPJIS-QGZVFWFLSA-N 1 1 329.843 3.480 50 0 EGAAMO COCCC[C@]1(CO)CCC[N@@H+](Cc2ccc(F)cc2Cl)C1 ZINC000091381813 218000108 /nfs/dbraw/zinc/00/01/08/218000108.db2.gz XCZFIXZQBYPJIS-QGZVFWFLSA-N 1 1 329.843 3.480 50 0 EGAAMO Cc1cccnc1N1CCC(c2[nH+]ccn2Cc2ccncc2)CC1 ZINC000091434693 218005113 /nfs/dbraw/zinc/00/51/13/218005113.db2.gz RURGHTVLZUMVAK-UHFFFAOYSA-N 1 1 333.439 3.414 50 0 EGAAMO Cc1cc[nH+]c(N2CCC[C@@H](c3nccn3Cc3cccnc3)C2)c1 ZINC000091536179 218019052 /nfs/dbraw/zinc/01/90/52/218019052.db2.gz LBQIEDFWUZGVBR-GOSISDBHSA-N 1 1 333.439 3.414 50 0 EGAAMO O=C(c1cccnc1)N1C[C@H]2CC[C@@H]1C[N@@H+](CCCc1ccccc1)C2 ZINC000091663730 218041882 /nfs/dbraw/zinc/04/18/82/218041882.db2.gz JEMCHDHSEKSIJQ-PZJWPPBQSA-N 1 1 349.478 3.251 50 0 EGAAMO CN(C)C[C@@H]1C[N@H+](Cc2ccc(-c3ccccc3F)cc2)C[C@@H]1CO ZINC000091931958 218090059 /nfs/dbraw/zinc/09/00/59/218090059.db2.gz HCXQYZQKOYVITA-RTBURBONSA-N 1 1 342.458 3.095 50 0 EGAAMO CN(C)C[C@@H]1C[N@@H+](Cc2ccc(-c3ccccc3F)cc2)C[C@@H]1CO ZINC000091931958 218090061 /nfs/dbraw/zinc/09/00/61/218090061.db2.gz HCXQYZQKOYVITA-RTBURBONSA-N 1 1 342.458 3.095 50 0 EGAAMO C[NH+](C)C[C@@H]1CN(Cc2ccc(-c3ccccc3F)cc2)C[C@@H]1CO ZINC000091931958 218090062 /nfs/dbraw/zinc/09/00/62/218090062.db2.gz HCXQYZQKOYVITA-RTBURBONSA-N 1 1 342.458 3.095 50 0 EGAAMO O=C(c1cccc(F)c1F)N1C[C@H]2CC[C@H](C[N@@H+]2CC2CCC2)C1 ZINC000091831121 218073328 /nfs/dbraw/zinc/07/33/28/218073328.db2.gz JORZAKPWRRXQID-HUUCEWRRSA-N 1 1 334.410 3.301 50 0 EGAAMO O=C1[C@H]2CC[C@H](C[N@@H+](Cc3ccnc4ccccc34)C2)N1CC1CCC1 ZINC000092081173 218117629 /nfs/dbraw/zinc/11/76/29/218117629.db2.gz CILNQAQXGYBOQX-RBUKOAKNSA-N 1 1 349.478 3.458 50 0 EGAAMO CCC[C@H](C)C[N@H+]1CCCn2nc(CCC(=O)N3CCCC3)cc2C1 ZINC000092062230 218111656 /nfs/dbraw/zinc/11/16/56/218111656.db2.gz URBOALDYNWPCNU-KRWDZBQOSA-N 1 1 346.519 3.080 50 0 EGAAMO Cc1c(C)n(Cc2ccncc2)c2nc[nH+]c(NCc3ccncc3)c12 ZINC000009423627 211082901 /nfs/dbraw/zinc/08/29/01/211082901.db2.gz PINAOYULCDHBJF-UHFFFAOYSA-N 1 1 344.422 3.499 50 0 EGAAMO Cc1nc2ncccc2c(NC[C@@H]2CCC[N@@H+](Cc3ccco3)C2)n1 ZINC000095363747 218296774 /nfs/dbraw/zinc/29/67/74/218296774.db2.gz FTMVKAQRFRNKJB-HNNXBMFYSA-N 1 1 337.427 3.250 50 0 EGAAMO COc1ccc2[nH]c(CNC(=O)CC[C@H]3CCCC[N@H+]3C)cc2c1 ZINC000095374920 218308223 /nfs/dbraw/zinc/30/82/23/218308223.db2.gz BRQKDIXFCQBKCB-MRXNPFEDSA-N 1 1 329.444 3.057 50 0 EGAAMO C[N@H+]1CCC[C@H](CCC(=O)NCc2cc(-c3ccccc3F)no2)C1 ZINC000095370862 218304167 /nfs/dbraw/zinc/30/41/67/218304167.db2.gz VMFIQIOFNVKLTD-CQSZACIVSA-N 1 1 345.418 3.219 50 0 EGAAMO C[N@@H+]1Cc2ccccc2C[C@@H]1C(=O)N(Cc1ccsc1)C1CC1 ZINC000095371249 218304283 /nfs/dbraw/zinc/30/42/83/218304283.db2.gz CQEKQBCFUYEKSH-GOSISDBHSA-N 1 1 326.465 3.296 50 0 EGAAMO C[N@H+]1Cc2ccccc2C[C@@H]1C(=O)N(Cc1ccsc1)C1CC1 ZINC000095371249 218304285 /nfs/dbraw/zinc/30/42/85/218304285.db2.gz CQEKQBCFUYEKSH-GOSISDBHSA-N 1 1 326.465 3.296 50 0 EGAAMO Cc1cc(C[C@H](C)NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)n[nH]1 ZINC000095378971 218310840 /nfs/dbraw/zinc/31/08/40/218310840.db2.gz GXFGOTDGFVACQM-HNNXBMFYSA-N 1 1 340.471 3.065 50 0 EGAAMO Cc1ccc([C@H](C(=O)N2CCC3(CCOCC3)CC2)[NH+](C)C)cc1 ZINC000095381307 218313522 /nfs/dbraw/zinc/31/35/22/218313522.db2.gz TYKLPTSQDCBUMR-GOSISDBHSA-N 1 1 330.472 3.017 50 0 EGAAMO O=C(CC1CC1)N1C[C@@H](c2cccc(F)c2F)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000095388961 218320939 /nfs/dbraw/zinc/32/09/39/218320939.db2.gz UINOVYMMBXZHOW-CWFSZBLJSA-N 1 1 346.421 3.154 50 0 EGAAMO Cn1ccc2cc(C(=O)NC[C@H]3CCC[N@H+]4CCCC[C@H]34)ccc21 ZINC000096343611 218744149 /nfs/dbraw/zinc/74/41/49/218744149.db2.gz ZSIYPRXNUQGSGS-IEBWSBKVSA-N 1 1 325.456 3.173 50 0 EGAAMO O=C(c1cccc(-c2ccc(O)cc2)c1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000097546716 219033978 /nfs/dbraw/zinc/03/39/78/219033978.db2.gz AAEYHGBDUJCTMF-LJQANCHMSA-N 1 1 336.435 3.370 50 0 EGAAMO O=C(c1cccc(-c2ccc(O)cc2)c1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000097546716 219033980 /nfs/dbraw/zinc/03/39/80/219033980.db2.gz AAEYHGBDUJCTMF-LJQANCHMSA-N 1 1 336.435 3.370 50 0 EGAAMO C[N@H+](Cc1cnc(N2CCCC2)s1)C[C@H]1Cc2ccccc2O1 ZINC000215967956 258072276 /nfs/dbraw/zinc/07/22/76/258072276.db2.gz FJEKLCHZPHIXQC-OAHLLOKOSA-N 1 1 329.469 3.179 50 0 EGAAMO COc1cc(C[NH+]2CCN(c3ccc(F)cc3)CC2)cc(OC)c1 ZINC000055031485 132192800 /nfs/dbraw/zinc/19/28/00/132192800.db2.gz VFELOSAMELYDMI-UHFFFAOYSA-N 1 1 330.403 3.165 50 0 EGAAMO CCOC(=O)[C@@H]1CCC[N@H+](Cc2ccc(Br)cc2)C1 ZINC000000236201 452542617 /nfs/dbraw/zinc/54/26/17/452542617.db2.gz OKYRKAVJZHVZLB-CYBMUJFWSA-N 1 1 326.234 3.224 50 0 EGAAMO CCOC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(Br)cc2)C1 ZINC000000236201 452542622 /nfs/dbraw/zinc/54/26/22/452542622.db2.gz OKYRKAVJZHVZLB-CYBMUJFWSA-N 1 1 326.234 3.224 50 0 EGAAMO COc1cc2c(cc1OC)[C@H](c1ccc3c(c1)OCO3)[N@H+](C)CC2 ZINC000019882154 277394978 /nfs/dbraw/zinc/39/49/78/277394978.db2.gz JFTOOEZYKZTOEX-IBGZPJMESA-N 1 1 327.380 3.010 50 0 EGAAMO COc1cc2c(cc1OC)[C@H](c1ccc3c(c1)OCO3)[N@@H+](C)CC2 ZINC000019882154 277394979 /nfs/dbraw/zinc/39/49/79/277394979.db2.gz JFTOOEZYKZTOEX-IBGZPJMESA-N 1 1 327.380 3.010 50 0 EGAAMO C[C@@H](c1ccc(-c2ccc(N3CCCC3)nn2)cc1)[NH+]1CCOCC1 ZINC000065418832 278411257 /nfs/dbraw/zinc/41/12/57/278411257.db2.gz COYZTFHQRQBQIT-INIZCTEOSA-N 1 1 338.455 3.137 50 0 EGAAMO COc1cccc(CC[NH2+]C[C@@H]2CCCN3CCCC[C@H]23)c1OC ZINC000055107488 295294035 /nfs/dbraw/zinc/29/40/35/295294035.db2.gz YMBKLVNOLMKBJZ-ZWKOTPCHSA-N 1 1 332.488 3.100 50 0 EGAAMO COc1ccccc1[C@H]1CCC[N@H+]1CCC(=O)Nc1cccnc1 ZINC000240971660 455265853 /nfs/dbraw/zinc/26/58/53/455265853.db2.gz UARQENFRFNAXFS-QGZVFWFLSA-N 1 1 325.412 3.256 50 0 EGAAMO O=C(CC[N@H+]1CC[C@@]2(O)CCCC[C@H]2C1)Nc1ccc(Cl)cc1 ZINC000244795558 455277011 /nfs/dbraw/zinc/27/70/11/455277011.db2.gz RIOSWISANAHQNR-KSSFIOAISA-N 1 1 336.863 3.296 50 0 EGAAMO O=C(c1ccco1)N1CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC000000171632 452527646 /nfs/dbraw/zinc/52/76/46/452527646.db2.gz LRSSKDPFCISNGI-UHFFFAOYSA-N 1 1 341.798 3.444 50 0 EGAAMO COc1ccc(NC(=O)CC[N@H+]2CCc3ccccc3C2)c(OC)c1 ZINC000000256887 452548040 /nfs/dbraw/zinc/54/80/40/452548040.db2.gz BHXXUUJKNUQZQG-UHFFFAOYSA-N 1 1 340.423 3.091 50 0 EGAAMO CCOC(=O)[C@@H]1CCC[N@H+](Cc2coc3ccc(Cl)cc3c2=O)C1 ZINC000000278729 452552734 /nfs/dbraw/zinc/55/27/34/452552734.db2.gz DPSTZZVPFFIKAF-GFCCVEGCSA-N 1 1 349.814 3.222 50 0 EGAAMO CCOC(=O)[C@@H]1CCC[N@@H+](Cc2coc3ccc(Cl)cc3c2=O)C1 ZINC000000278729 452552742 /nfs/dbraw/zinc/55/27/42/452552742.db2.gz DPSTZZVPFFIKAF-GFCCVEGCSA-N 1 1 349.814 3.222 50 0 EGAAMO C[NH+]1CCN(C(=S)c2ccc(OCc3ccccc3F)cc2)CC1 ZINC000000299829 452557490 /nfs/dbraw/zinc/55/74/90/452557490.db2.gz OOJNAMGTUVCWCI-UHFFFAOYSA-N 1 1 344.455 3.328 50 0 EGAAMO COc1cccc(C(=O)O[C@@H](C[NH+]2CCCCC2)C(F)(F)F)c1 ZINC000001395968 452659717 /nfs/dbraw/zinc/65/97/17/452659717.db2.gz PVZSSJXCHACKJB-AWEZNQCLSA-N 1 1 331.334 3.269 50 0 EGAAMO CCOC(=O)c1cccc(C(=O)c2ccccc2C[NH+]2CC=CC2)c1 ZINC000002515882 452702760 /nfs/dbraw/zinc/70/27/60/452702760.db2.gz VUKOMHNSJIWVEO-UHFFFAOYSA-N 1 1 335.403 3.466 50 0 EGAAMO CC(C)c1ccc(CN2CCC[C@@](O)(C[N@H+](C)C(C)C)C2=O)cc1 ZINC000012583013 453377545 /nfs/dbraw/zinc/37/75/45/453377545.db2.gz QWUGMJDSSLYCJL-HXUWFJFHSA-N 1 1 332.488 3.004 50 0 EGAAMO CC(C)(C)C[N@H+]1CCC[C@H]1C(=O)Nc1cccc(-n2cccn2)c1 ZINC000012574414 453378373 /nfs/dbraw/zinc/37/83/73/453378373.db2.gz PRVADFHDWJPSED-KRWDZBQOSA-N 1 1 326.444 3.321 50 0 EGAAMO O=C(/C=C/c1ccco1)N[C@@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000012712746 453393365 /nfs/dbraw/zinc/39/33/65/453393365.db2.gz SATYLUVMSTYGJF-QZEKMECESA-N 1 1 336.435 3.041 50 0 EGAAMO C[NH+]1CCN(c2ccnc(SCc3ccccc3Cl)n2)CC1 ZINC000022636464 453696331 /nfs/dbraw/zinc/69/63/31/453696331.db2.gz AZDMGWISCRVLCK-UHFFFAOYSA-N 1 1 334.876 3.174 50 0 EGAAMO Cc1cc2oc(=O)cc(C[NH+]3CCC4(CC3)OCCO4)c2cc1Cl ZINC000054307003 453921683 /nfs/dbraw/zinc/92/16/83/453921683.db2.gz BMLPLYLSTLTKHK-UHFFFAOYSA-N 1 1 349.814 3.094 50 0 EGAAMO CCc1cc(NCc2cc3n(n2)CCC[N@@H+](CC(C)C)C3)nc(C)n1 ZINC000082097821 453924239 /nfs/dbraw/zinc/92/42/39/453924239.db2.gz LOYQXLKBUPHYPI-UHFFFAOYSA-N 1 1 342.491 3.018 50 0 EGAAMO Cc1cc(C)c2[nH]c(=O)c(C[N@H+]3CCCC[C@H](N(C)C)C3)cc2c1 ZINC000082171077 453927643 /nfs/dbraw/zinc/92/76/43/453927643.db2.gz HRHPEHFVCIFONN-SFHVURJKSA-N 1 1 327.472 3.061 50 0 EGAAMO Cc1cc(C)c2[nH]c(=O)c(C[N@@H+]3CCCC[C@H](N(C)C)C3)cc2c1 ZINC000082171077 453927644 /nfs/dbraw/zinc/92/76/44/453927644.db2.gz HRHPEHFVCIFONN-SFHVURJKSA-N 1 1 327.472 3.061 50 0 EGAAMO Cc1ccc(-c2c[nH]nc2[C@@H]2CCCN(c3cc(N)[nH+]cn3)C2)cc1 ZINC000067542219 453940949 /nfs/dbraw/zinc/94/09/49/453940949.db2.gz KBIUTQZMMJOLFQ-OAHLLOKOSA-N 1 1 334.427 3.141 50 0 EGAAMO COc1ccc(CN(C(=O)NC[C@@H]2CC[N@H+](C(C)C)C2)C2CC2)cc1 ZINC000067685748 453956672 /nfs/dbraw/zinc/95/66/72/453956672.db2.gz PUWBMZWBDDLNBK-KRWDZBQOSA-N 1 1 345.487 3.100 50 0 EGAAMO CCOC(=O)C[C@H]1CCCC[N@H+]1Cc1ccc(-n2ccnc2)cc1 ZINC000077319836 454090585 /nfs/dbraw/zinc/09/05/85/454090585.db2.gz GBEKCHPROBFHLM-GOSISDBHSA-N 1 1 327.428 3.180 50 0 EGAAMO CCOC(=O)C[C@@H]1CCCC[N@@H+]1Cc1cc(OC)c(OC)cc1F ZINC000077323117 454091280 /nfs/dbraw/zinc/09/12/80/454091280.db2.gz JUIXAQHRIOMDGL-AWEZNQCLSA-N 1 1 339.407 3.151 50 0 EGAAMO CCOC(=O)C[C@@H]1CCCC[N@H+]1Cc1cc(OC)c(OC)cc1F ZINC000077323117 454091284 /nfs/dbraw/zinc/09/12/84/454091284.db2.gz JUIXAQHRIOMDGL-AWEZNQCLSA-N 1 1 339.407 3.151 50 0 EGAAMO CC(C)CCN1C[C@@]2(CCC[N@H+](Cc3cscn3)C2)CCC1=O ZINC000077321459 454091367 /nfs/dbraw/zinc/09/13/67/454091367.db2.gz DBHHYGJVOOJMFU-SFHVURJKSA-N 1 1 335.517 3.394 50 0 EGAAMO CC(C)CCN1C[C@@]2(CCC[N@@H+](Cc3cscn3)C2)CCC1=O ZINC000077321459 454091369 /nfs/dbraw/zinc/09/13/69/454091369.db2.gz DBHHYGJVOOJMFU-SFHVURJKSA-N 1 1 335.517 3.394 50 0 EGAAMO CCc1ccc(C[N@H+]2CCC[C@]3(CCC(=O)N(C4CC4)C3)C2)nc1 ZINC000077339913 454093824 /nfs/dbraw/zinc/09/38/24/454093824.db2.gz UBLZMOTVGVFWRV-FQEVSTJZSA-N 1 1 327.472 3.011 50 0 EGAAMO Cc1[nH+]ccn1CCC(=O)N1CCC[C@H](COc2ccc(C)cc2)C1 ZINC000077428957 454105479 /nfs/dbraw/zinc/10/54/79/454105479.db2.gz YDZIKKJQDFTGDW-SFHVURJKSA-N 1 1 341.455 3.208 50 0 EGAAMO c1ccc(C[N@H+]2C[C@H]3CC[C@@H]2CN(Cc2nnc(C4CC4)o2)C3)cc1 ZINC000095365583 454197500 /nfs/dbraw/zinc/19/75/00/454197500.db2.gz AASRKGQBRYLGFY-FUHWJXTLSA-N 1 1 338.455 3.043 50 0 EGAAMO CC[C@H]1C[N@@H+](CCc2cscn2)CCC(=O)N1Cc1ccccc1 ZINC000071589472 454208839 /nfs/dbraw/zinc/20/88/39/454208839.db2.gz YYOKFLQMCATSHD-SFHVURJKSA-N 1 1 343.496 3.199 50 0 EGAAMO CC[C@@H]1C[N@@H+](Cc2cccc(O)c2)CCC(=O)N1Cc1ccccc1 ZINC000071752498 454214629 /nfs/dbraw/zinc/21/46/29/454214629.db2.gz HIWICIYZNDVOCB-LJQANCHMSA-N 1 1 338.451 3.405 50 0 EGAAMO Cc1cc[nH+]c(N2CCC[C@H](c3nccn3Cc3cscn3)C2)c1 ZINC000095529379 454229017 /nfs/dbraw/zinc/22/90/17/454229017.db2.gz LLKKQHOFJLZPKZ-HNNXBMFYSA-N 1 1 339.468 3.475 50 0 EGAAMO O[C@@H](COc1ccc(F)cc1)C[N@@H+]1CC=C(c2ccccc2)CC1 ZINC000046343540 454242883 /nfs/dbraw/zinc/24/28/83/454242883.db2.gz OOQLGTZUWJPPQB-LJQANCHMSA-N 1 1 327.399 3.355 50 0 EGAAMO CC[N@H+]1CCC[C@@H](c2cn(Cc3nc4cc(C)c(C)cc4[nH]3)nn2)C1 ZINC000091270608 454420151 /nfs/dbraw/zinc/42/01/51/454420151.db2.gz PVQPZZKRZCDFDT-OAHLLOKOSA-N 1 1 338.459 3.019 50 0 EGAAMO Cc1cnn(CCC[N@H+]2C[C@@H]3CC[C@H](C2)N(Cc2ccccc2)C3)c1 ZINC000091620747 454450837 /nfs/dbraw/zinc/45/08/37/454450837.db2.gz MOBKJDNZQVJTJP-LEWJYISDSA-N 1 1 338.499 3.178 50 0 EGAAMO Cc1cnn(CCCN2C[C@H]3CC[C@H](C[N@H+]3Cc3ccccc3)C2)c1 ZINC000091620747 454450842 /nfs/dbraw/zinc/45/08/42/454450842.db2.gz MOBKJDNZQVJTJP-LEWJYISDSA-N 1 1 338.499 3.178 50 0 EGAAMO Cc1cnn(CCCN2C[C@H]3CC[C@H](C[N@@H+]3Cc3ccccc3)C2)c1 ZINC000091620747 454450844 /nfs/dbraw/zinc/45/08/44/454450844.db2.gz MOBKJDNZQVJTJP-LEWJYISDSA-N 1 1 338.499 3.178 50 0 EGAAMO O[C@@]1(CN(Cc2ccco2)Cc2ccco2)CCC[N@H+]2CCCC[C@@H]21 ZINC000063844988 454454282 /nfs/dbraw/zinc/45/42/82/454454282.db2.gz OIIGXDAOMIESIH-WOJBJXKFSA-N 1 1 344.455 3.254 50 0 EGAAMO C[C@@H]1CCC[N@@H+](CCCNS(=O)(=O)c2ccc3ccccc3c2)C1 ZINC000048311022 454471355 /nfs/dbraw/zinc/47/13/55/454471355.db2.gz LRRTYHBIMCLVHO-MRXNPFEDSA-N 1 1 346.496 3.240 50 0 EGAAMO OCc1ccc(C[N@H+]2CC[C@@](O)(c3ccccc3)[C@H]3CCCC[C@H]32)o1 ZINC000065373316 454554787 /nfs/dbraw/zinc/55/47/87/454554787.db2.gz JVAWKQPNOKOMAT-PWRODBHTSA-N 1 1 341.451 3.424 50 0 EGAAMO CC(=O)N(C)[C@@H](C)C1=CC[N@@H+](Cc2cccc(OC(F)F)c2)CC1 ZINC000065373689 454555192 /nfs/dbraw/zinc/55/51/92/454555192.db2.gz GCEQHOHZZJIOOT-ZDUSSCGKSA-N 1 1 338.398 3.287 50 0 EGAAMO CCCC[C@@H]1C=CCN1C(=O)c1cc2n(n1)CCC[N@@H+](C(C)C)C2 ZINC000065375909 454555986 /nfs/dbraw/zinc/55/59/86/454555986.db2.gz OCGNGNHHNYOWAX-MRXNPFEDSA-N 1 1 330.476 3.068 50 0 EGAAMO CCCC[C@@H]1C=CCN1C(=O)c1cc2n(n1)CCC[N@H+](C(C)C)C2 ZINC000065375909 454555991 /nfs/dbraw/zinc/55/59/91/454555991.db2.gz OCGNGNHHNYOWAX-MRXNPFEDSA-N 1 1 330.476 3.068 50 0 EGAAMO CCc1[nH]c([C@@H]2CC(=O)Nc3n[nH]c(-c4cccs4)c32)c(C)[nH+]1 ZINC000065381030 454556177 /nfs/dbraw/zinc/55/61/77/454556177.db2.gz LJKIVJOTNRZXAI-SECBINFHSA-N 1 1 327.413 3.206 50 0 EGAAMO COc1ccc(C[N@@H+](C)[C@H](C)C(=O)NC2CCCC2)c2cccnc12 ZINC000065423105 454564609 /nfs/dbraw/zinc/56/46/09/454564609.db2.gz ADWPXHUVEHIWHD-CQSZACIVSA-N 1 1 341.455 3.123 50 0 EGAAMO C[N@@H+](CCC(=O)NCc1cccs1)Cc1cccc2cnccc21 ZINC000065489501 454576537 /nfs/dbraw/zinc/57/65/37/454576537.db2.gz IHFUOKWVNHWRBI-UHFFFAOYSA-N 1 1 339.464 3.435 50 0 EGAAMO O=C(c1ccccn1)N1CCC[C@H]1[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000065625555 454607575 /nfs/dbraw/zinc/60/75/75/454607575.db2.gz OIXBDLWIKITHDB-PMACEKPBSA-N 1 1 335.451 3.351 50 0 EGAAMO Nc1cc(N[C@H]2CC[C@H](O)CC2)nc(SCc2ccccc2)[nH+]1 ZINC000252581991 455822549 /nfs/dbraw/zinc/82/25/49/455822549.db2.gz WDIITSIURJPZKN-HDJSIYSDSA-N 1 1 330.457 3.067 50 0 EGAAMO Nc1cc(N[C@H]2CC[C@H](O)CC2)[nH+]c(SCc2ccccc2)n1 ZINC000252581991 455822555 /nfs/dbraw/zinc/82/25/55/455822555.db2.gz WDIITSIURJPZKN-HDJSIYSDSA-N 1 1 330.457 3.067 50 0 EGAAMO CC[C@H](Sc1nc2ccccc2o1)C(=O)NCCn1cc[nH+]c1C ZINC000223929747 456062406 /nfs/dbraw/zinc/06/24/06/456062406.db2.gz JHLHWVGROSSIQL-HNNXBMFYSA-N 1 1 344.440 3.020 50 0 EGAAMO O=C(/C=C/c1ccccc1)N1CC[C@@H]([N@H+]2CCc3ccccc3C2)C1 ZINC000225684467 456103091 /nfs/dbraw/zinc/10/30/91/456103091.db2.gz CZASNUVISHWKKE-RQWLHQTBSA-N 1 1 332.447 3.359 50 0 EGAAMO CCCC[C@H](C(=O)Nc1cc(C)on1)[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000229220433 456127631 /nfs/dbraw/zinc/12/76/31/456127631.db2.gz CXZMJKHBQGXCOU-GDBMZVCRSA-N 1 1 345.447 3.083 50 0 EGAAMO CCCC[C@H](C(=O)Nc1cc(C)on1)[N@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000229220433 456127640 /nfs/dbraw/zinc/12/76/40/456127640.db2.gz CXZMJKHBQGXCOU-GDBMZVCRSA-N 1 1 345.447 3.083 50 0 EGAAMO C[C@@H]1CCCC[N@H+]1C1CN(C(=O)NCc2ccnc3ccccc23)C1 ZINC000426390027 457819547 /nfs/dbraw/zinc/81/95/47/457819547.db2.gz ZEXDWWFUBPEGGI-OAHLLOKOSA-N 1 1 338.455 3.003 50 0 EGAAMO CO[C@]12CC[N@H+](Cc3nccs3)[C@H]1C[C@@H](Oc1ccccn1)CC2 ZINC000426584641 457858848 /nfs/dbraw/zinc/85/88/48/457858848.db2.gz GZWJFFBVPSSCHU-RLFYNMQTSA-N 1 1 345.468 3.129 50 0 EGAAMO CO[C@]12CC[N@@H+](Cc3nccs3)[C@H]1C[C@@H](Oc1ccccn1)CC2 ZINC000426584641 457858852 /nfs/dbraw/zinc/85/88/52/457858852.db2.gz GZWJFFBVPSSCHU-RLFYNMQTSA-N 1 1 345.468 3.129 50 0 EGAAMO Cc1ccccc1[C@@H](NC(=O)N1CCC[N@H+](C)CC1)c1ccccc1 ZINC000534663310 459344339 /nfs/dbraw/zinc/34/43/39/459344339.db2.gz QCWIGSZOQCAKGB-FQEVSTJZSA-N 1 1 337.467 3.432 50 0 EGAAMO COc1ccc(CCCN2C(=O)O[C@@H]3C[N@@H+](C4CCCC4)C[C@@H]32)cc1 ZINC000012301292 1291131417 /nfs/dbraw/zinc/13/14/17/1291131417.db2.gz NYPSFQFURMTOSI-RBUKOAKNSA-N 1 1 344.455 3.075 50 0 EGAAMO CN(Cc1ncc[nH]1)C[C@H]1CCC[N@@H+](CCc2ccc(Cl)cc2)C1 ZINC000012302561 1291131719 /nfs/dbraw/zinc/13/17/19/1291131719.db2.gz MEINLOHDLPQOSC-QGZVFWFLSA-N 1 1 346.906 3.450 50 0 EGAAMO c1coc(-c2n[nH]c3c2C[N@@H+]([C@H]2CCN(c4ccccc4)C2)CC3)c1 ZINC000019799085 1291193606 /nfs/dbraw/zinc/19/36/06/1291193606.db2.gz WFXIVLJDXLHXKS-INIZCTEOSA-N 1 1 334.423 3.307 50 0 EGAAMO C[N@@H+](CCc1ccccn1)[C@@H]1CCCN(C(=O)NC2CCCCC2)C1 ZINC000023159127 1291231214 /nfs/dbraw/zinc/23/12/14/1291231214.db2.gz NDWASHRSQCRJIV-LJQANCHMSA-N 1 1 344.503 3.063 50 0 EGAAMO CCOc1ccc(CC(=O)NC[C@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC000504459862 1297958873 /nfs/dbraw/zinc/95/88/73/1297958873.db2.gz YVKNZDBOSHHBDD-IEBWSBKVSA-N 1 1 330.472 3.009 50 0 EGAAMO CC[C@@H](C(=O)N1CCN(c2cc(Cl)ccc2C)CC1)[N@@H+](C)CC ZINC000822549843 1320096966 /nfs/dbraw/zinc/09/69/66/1320096966.db2.gz GBPIPJDDGATMGG-INIZCTEOSA-N 1 1 337.895 3.027 50 0 EGAAMO CC[C@H](C)c1ccccc1OCC(=O)N(C)CCn1cc[nH+]c1C ZINC000822662312 1320110233 /nfs/dbraw/zinc/11/02/33/1320110233.db2.gz NGRPQHMBIIZANM-HNNXBMFYSA-N 1 1 329.444 3.242 50 0 EGAAMO CN1CCC[N@@H+](C[C@H]2CC[C@@H](Cc3nc4ccccc4s3)O2)CC1 ZINC000952854556 1334581802 /nfs/dbraw/zinc/58/18/02/1334581802.db2.gz GXTPTTYMYKDMNJ-JKSUJKDBSA-N 1 1 345.512 3.024 50 0 EGAAMO C[N@@H+]1CCCN(C[C@H]2CC[C@@H](Cc3nc4ccccc4s3)O2)CC1 ZINC000952854556 1334581810 /nfs/dbraw/zinc/58/18/10/1334581810.db2.gz GXTPTTYMYKDMNJ-JKSUJKDBSA-N 1 1 345.512 3.024 50 0 EGAAMO C[N@H+]1CCCN(C[C@H]2CC[C@@H](Cc3nc4ccccc4s3)O2)CC1 ZINC000952854556 1334581814 /nfs/dbraw/zinc/58/18/14/1334581814.db2.gz GXTPTTYMYKDMNJ-JKSUJKDBSA-N 1 1 345.512 3.024 50 0 EGAAMO COc1nc(NCC[C@@H]2CCCC[N@H+]2Cc2ccccc2)ncc1F ZINC000952983909 1334629748 /nfs/dbraw/zinc/62/97/48/1334629748.db2.gz SKLBWAUOICVBLB-INIZCTEOSA-N 1 1 344.434 3.481 50 0 EGAAMO CC(C)=CCC[C@@H](C)[N@H+]1CCCN(C(=O)c2cn(C)nc2C)CC1 ZINC001772816568 1441417683 /nfs/dbraw/zinc/41/76/83/1441417683.db2.gz VFYCNHCCZOXSQE-MRXNPFEDSA-N 1 1 332.492 3.011 50 0 EGAAMO COc1ccc(C2(CNC(=O)[C@@H]3CCCC[N@H+]3C)CCCC2)cc1 ZINC000097637950 219043333 /nfs/dbraw/zinc/04/33/33/219043333.db2.gz GBIIHAUTPPFLDL-SFHVURJKSA-N 1 1 330.472 3.108 50 0 EGAAMO Cn1c(C(=O)N2CC[N@@H+]3CCCC[C@H]3C2)cc2cccc(Cl)c21 ZINC000097745038 219053807 /nfs/dbraw/zinc/05/38/07/219053807.db2.gz AXNUBWJBYMSYIE-AWEZNQCLSA-N 1 1 331.847 3.142 50 0 EGAAMO Cn1c(C(=O)N2CC[N@H+]3CCCC[C@H]3C2)cc2cccc(Cl)c21 ZINC000097745038 219053809 /nfs/dbraw/zinc/05/38/09/219053809.db2.gz AXNUBWJBYMSYIE-AWEZNQCLSA-N 1 1 331.847 3.142 50 0 EGAAMO CO[C@H]1C[N@H+](C(C)C)C[C@@H]1NC(=O)Nc1ccc(-c2ccco2)cc1 ZINC000097766367 219055323 /nfs/dbraw/zinc/05/53/23/219055323.db2.gz GLSVQIVEJYTETO-WMZOPIPTSA-N 1 1 343.427 3.176 50 0 EGAAMO CCOC(=O)[C@@H]1CCC[N@@H+](Cc2c[nH]nc2-c2ccc(C)cc2)C1 ZINC000004678826 210244903 /nfs/dbraw/zinc/24/49/03/210244903.db2.gz VHLXMBFXHRYRPJ-MRXNPFEDSA-N 1 1 327.428 3.160 50 0 EGAAMO CCC(C)(C)NC(=O)c1cc(C[N@@H+](C)CCc2ccccc2)on1 ZINC000067723426 215194428 /nfs/dbraw/zinc/19/44/28/215194428.db2.gz KFNPBLSASMZKJC-UHFFFAOYSA-N 1 1 329.444 3.268 50 0 EGAAMO C/C(=C\c1ccco1)C[N@H+]1CC[C@@H](CNC(=O)c2ccoc2C)C1 ZINC000067741619 215201178 /nfs/dbraw/zinc/20/11/78/215201178.db2.gz IISGPPZKLWABJV-DKGMDFAASA-N 1 1 328.412 3.336 50 0 EGAAMO COc1cc(-c2ccc(C)s2)cc2c1OCC[N@H+](C[C@H](C)O)C2 ZINC000067786305 215211627 /nfs/dbraw/zinc/21/16/27/215211627.db2.gz MUSVOZMMYJDYQR-LBPRGKRZSA-N 1 1 333.453 3.307 50 0 EGAAMO COc1cc(-c2ccc(C)s2)cc2c1OCC[N@@H+](C[C@H](C)O)C2 ZINC000067786305 215211631 /nfs/dbraw/zinc/21/16/31/215211631.db2.gz MUSVOZMMYJDYQR-LBPRGKRZSA-N 1 1 333.453 3.307 50 0 EGAAMO CC(C)(C)OC(=O)NC1CC[NH+](Cc2cc(F)cc(F)c2)CC1 ZINC000067801036 215215241 /nfs/dbraw/zinc/21/52/41/215215241.db2.gz JUFASUSPQFHDEK-UHFFFAOYSA-N 1 1 326.387 3.454 50 0 EGAAMO Cc1c(NC(=O)C(C)(C)C)cccc1C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000067954306 215257244 /nfs/dbraw/zinc/25/72/44/215257244.db2.gz FVCBBAPJFMQSRY-HNNXBMFYSA-N 1 1 345.487 3.051 50 0 EGAAMO O=C(NCCC[N@@H+]1CCO[C@@H](c2ccccc2)C1)c1ccccc1F ZINC000036699948 213110571 /nfs/dbraw/zinc/11/05/71/213110571.db2.gz WIXGIWKWMXUODH-LJQANCHMSA-N 1 1 342.414 3.019 50 0 EGAAMO O=C(NCCC[N@H+]1CCO[C@@H](c2ccccc2)C1)c1ccccc1F ZINC000036699948 213110574 /nfs/dbraw/zinc/11/05/74/213110574.db2.gz WIXGIWKWMXUODH-LJQANCHMSA-N 1 1 342.414 3.019 50 0 EGAAMO C[NH+]1CCN(C(=O)c2cc3sccc3n2Cc2ccccc2)CC1 ZINC000035841867 213050274 /nfs/dbraw/zinc/05/02/74/213050274.db2.gz QGBNDNSIGLFMRT-UHFFFAOYSA-N 1 1 339.464 3.139 50 0 EGAAMO Cc1cccnc1CN1CC[NH+](CCSc2ccccc2)CC1 ZINC000072144873 216030290 /nfs/dbraw/zinc/03/02/90/216030290.db2.gz WTSDWWCZWGVJOX-UHFFFAOYSA-N 1 1 327.497 3.300 50 0 EGAAMO Cn1c(C[N@@H+]2CCC[C@H](OCc3cccnc3)C2)nc2ccccc21 ZINC000072153331 216042024 /nfs/dbraw/zinc/04/20/24/216042024.db2.gz NLUCLQOBZHZODL-KRWDZBQOSA-N 1 1 336.439 3.150 50 0 EGAAMO Cn1c(C[N@H+]2CCC[C@H](OCc3cccnc3)C2)nc2ccccc21 ZINC000072153331 216042028 /nfs/dbraw/zinc/04/20/28/216042028.db2.gz NLUCLQOBZHZODL-KRWDZBQOSA-N 1 1 336.439 3.150 50 0 EGAAMO Cc1nnsc1C[N@@H+]1CCC[C@H](C(=O)CCc2ccccc2)C1 ZINC000072153088 216042681 /nfs/dbraw/zinc/04/26/81/216042681.db2.gz QWFZUTZLKQQDFS-INIZCTEOSA-N 1 1 329.469 3.260 50 0 EGAAMO Cc1nnsc1C[N@H+]1CCC[C@H](C(=O)CCc2ccccc2)C1 ZINC000072153088 216042683 /nfs/dbraw/zinc/04/26/83/216042683.db2.gz QWFZUTZLKQQDFS-INIZCTEOSA-N 1 1 329.469 3.260 50 0 EGAAMO COc1ccc(C[N@H+]2CCC[C@]3(C2)C(=O)Nc2ccccc23)c(F)c1 ZINC000072166411 216055339 /nfs/dbraw/zinc/05/53/39/216055339.db2.gz LCXPFQIJDBSIQV-HXUWFJFHSA-N 1 1 340.398 3.320 50 0 EGAAMO CC(C)Cc1ccc(C[N@H+]2CCC[C@@H](Nc3nccc(N)n3)C2)cc1 ZINC000072423022 216211486 /nfs/dbraw/zinc/21/14/86/216211486.db2.gz YQYWGFGKCQCADS-GOSISDBHSA-N 1 1 339.487 3.334 50 0 EGAAMO Cc1[nH+]ccn1C1(C(=O)[O-])CC[NH+](Cc2cc3ccccc3o2)CC1 ZINC000072424058 216212945 /nfs/dbraw/zinc/21/29/45/216212945.db2.gz LUWXOZKJRPNPBA-UHFFFAOYSA-N 1 1 339.395 3.014 50 0 EGAAMO CCOc1ccccc1C(=O)NC[C@H](c1ccccc1OC)[NH+](C)C ZINC000027989946 212592925 /nfs/dbraw/zinc/59/29/25/212592925.db2.gz NYCLZIGKRIOMIT-QGZVFWFLSA-N 1 1 342.439 3.127 50 0 EGAAMO CC(C)Cn1c[nH+]cc1Cn1ccnc1-c1ccc2c(c1)OCCO2 ZINC000072456988 216242530 /nfs/dbraw/zinc/24/25/30/216242530.db2.gz CRTIKMSJLXTWSK-UHFFFAOYSA-N 1 1 338.411 3.222 50 0 EGAAMO COc1cc(C[N@H+]2CCC[C@@H](C(=O)Cc3ccccc3)C2)ccc1O ZINC000072462875 216245447 /nfs/dbraw/zinc/24/54/47/216245447.db2.gz GCZWCHNFQGSANV-GOSISDBHSA-N 1 1 339.435 3.425 50 0 EGAAMO C[NH+]1CCN(Cc2cccc(C(=O)c3cc(F)c(F)c(F)c3)c2)CC1 ZINC000022028090 212271710 /nfs/dbraw/zinc/27/17/10/212271710.db2.gz KSSGCJDORNFHNR-UHFFFAOYSA-N 1 1 348.368 3.082 50 0 EGAAMO C[NH+]1CCN(Cc2cccc(C(=O)c3cc(F)cc(Cl)c3)c2)CC1 ZINC000022028058 212271442 /nfs/dbraw/zinc/27/14/42/212271442.db2.gz JQVRQDVMQRTSBU-UHFFFAOYSA-N 1 1 346.833 3.458 50 0 EGAAMO CSc1cccc(CN2CC[N@@H+](CCC(C)C)[C@@H](CCO)C2)c1 ZINC000020914143 212186981 /nfs/dbraw/zinc/18/69/81/212186981.db2.gz BOWVWOHQROBXPE-SFHVURJKSA-N 1 1 336.545 3.323 50 0 EGAAMO COC(=O)c1ccc(C[NH+](Cc2ccc(C(=O)OC)o2)C(C)(C)C)o1 ZINC000020058184 212099013 /nfs/dbraw/zinc/09/90/13/212099013.db2.gz IFJUZSKGIZWJMC-UHFFFAOYSA-N 1 1 349.383 3.247 50 0 EGAAMO CCCn1cc(C[N@@H+]2CCC[C@H]2c2ccc(C(N)=O)s2)c(C)n1 ZINC000019866143 212077187 /nfs/dbraw/zinc/07/71/87/212077187.db2.gz DJJAMVBGRDGLRH-AWEZNQCLSA-N 1 1 332.473 3.099 50 0 EGAAMO CCCn1cc(C[N@H+]2CCC[C@H]2c2ccc(C(N)=O)s2)c(C)n1 ZINC000019866143 212077190 /nfs/dbraw/zinc/07/71/90/212077190.db2.gz DJJAMVBGRDGLRH-AWEZNQCLSA-N 1 1 332.473 3.099 50 0 EGAAMO COc1cccc(CN2CC[NH+](Cc3cccs3)CC2)c1OC ZINC000019850618 212076686 /nfs/dbraw/zinc/07/66/86/212076686.db2.gz AOXOFPJTBMUDHE-UHFFFAOYSA-N 1 1 332.469 3.083 50 0 EGAAMO CCn1ccnc1CN1CCC[C@@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000019744523 212059885 /nfs/dbraw/zinc/05/98/85/212059885.db2.gz FNFQBUXEHLVNFD-LJQANCHMSA-N 1 1 326.488 3.042 50 0 EGAAMO COc1cc(OC)cc(C(=O)NC[C@H]2CCC[N@@H+](CC(C)(C)C)C2)c1 ZINC000012458454 211389119 /nfs/dbraw/zinc/38/91/19/211389119.db2.gz IOBPGHJMSXFZBL-OAHLLOKOSA-N 1 1 348.487 3.192 50 0 EGAAMO CN(C)c1cccc(C(=O)N2CC[C@@]3(C2)CCC[N@@H+](CC2CC2)C3)c1 ZINC000012303961 211339820 /nfs/dbraw/zinc/33/98/20/211339820.db2.gz BLYOATARNXFDNH-NRFANRHFSA-N 1 1 341.499 3.091 50 0 EGAAMO OC[C@]1(Cc2ccc(F)cc2F)CCC[N@H+](C2CCSCC2)C1 ZINC000012001994 211278621 /nfs/dbraw/zinc/27/86/21/211278621.db2.gz VHNVRTFFEMGIGK-SFHVURJKSA-N 1 1 341.467 3.477 50 0 EGAAMO Fc1ccccc1CN1CCC[C@]2(CC[N@H+](C3CCOCC3)C2)C1 ZINC000012053934 211284543 /nfs/dbraw/zinc/28/45/43/211284543.db2.gz FBYYIPHYZAFTGG-FQEVSTJZSA-N 1 1 332.463 3.293 50 0 EGAAMO CCC[C@@]1(CO)CCC[N@@H+](Cc2cncn2Cc2ccccc2)C1 ZINC000091412217 218001934 /nfs/dbraw/zinc/00/19/34/218001934.db2.gz OTXUQMMSOPYKHL-HXUWFJFHSA-N 1 1 327.472 3.306 50 0 EGAAMO Cc1ncc(C[NH2+]Cc2cccnc2Oc2ccc(F)c(F)c2)n1C ZINC000011819624 211252100 /nfs/dbraw/zinc/25/21/00/211252100.db2.gz ZXPTYSGAGDDQOR-UHFFFAOYSA-N 1 1 344.365 3.484 50 0 EGAAMO CCCc1nc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)cs1 ZINC000091665488 218043931 /nfs/dbraw/zinc/04/39/31/218043931.db2.gz GMLXTMJVHQFUCU-HNNXBMFYSA-N 1 1 329.469 3.100 50 0 EGAAMO COCC[C@@]1(CO)CCC[N@H+](C2CCN(c3ccc(C)cc3)CC2)C1 ZINC000091907663 218087021 /nfs/dbraw/zinc/08/70/21/218087021.db2.gz JQHRDOXXCCZQFL-NRFANRHFSA-N 1 1 346.515 3.075 50 0 EGAAMO Cc1ncsc1CCN(C)C(=O)[C@@H](c1cccc(C)c1)[NH+](C)C ZINC000095355518 218289832 /nfs/dbraw/zinc/28/98/32/218289832.db2.gz MSOFZOKWNLYHOZ-QGZVFWFLSA-N 1 1 331.485 3.064 50 0 EGAAMO Cc1ccc(CC(=O)N2C[C@H]3CC[C@H](C[N@@H+]3CC3CCC3)C2)cc1 ZINC000095367315 218300668 /nfs/dbraw/zinc/30/06/68/218300668.db2.gz YQCCIHCREOYCOB-WOJBJXKFSA-N 1 1 326.484 3.260 50 0 EGAAMO COCC[N@H+]1C[C@H]2CC[C@@H]1CN(Cc1ccc(F)cc1Cl)C2 ZINC000095364054 218296739 /nfs/dbraw/zinc/29/67/39/218296739.db2.gz DOWXDYCLCNBEAA-XJKSGUPXSA-N 1 1 326.843 3.022 50 0 EGAAMO COCC[N@H+]1C[C@H]2CC[C@@H]1CN(Cc1c[nH]nc1C1CCCCC1)C2 ZINC000095363378 218297215 /nfs/dbraw/zinc/29/72/15/218297215.db2.gz MWMVTEPQHYIIGG-QFBILLFUSA-N 1 1 346.519 3.000 50 0 EGAAMO COc1cccc(C[N@H+]2CCC[C@H](C(=O)N3CCCCCC3)C2)c1 ZINC000004746149 210269312 /nfs/dbraw/zinc/26/93/12/210269312.db2.gz BGQHZTFRCSQMNL-SFHVURJKSA-N 1 1 330.472 3.310 50 0 EGAAMO COc1ccc(-c2n[nH]cc2C[N@H+]2CCO[C@@H]3CCCC[C@H]32)cc1 ZINC000097594924 219037380 /nfs/dbraw/zinc/03/73/80/219037380.db2.gz IVYQSWXFCPUROV-QZTJIDSGSA-N 1 1 327.428 3.229 50 0 EGAAMO CCc1[nH+]ccn1CC1(CNC(=O)c2cn(C)c3ccccc23)CC1 ZINC000299791175 258096688 /nfs/dbraw/zinc/09/66/88/258096688.db2.gz CSNSMEFZFZTRIS-UHFFFAOYSA-N 1 1 336.439 3.147 50 0 EGAAMO CC(=O)c1ccc(-c2cccc(C(=O)N3CCC[N@H+](C)CC3)c2)s1 ZINC000299793877 258098469 /nfs/dbraw/zinc/09/84/69/258098469.db2.gz HLPQGYHOWRYVTB-UHFFFAOYSA-N 1 1 342.464 3.395 50 0 EGAAMO Cc1cc(CC(=O)NCC[C@H]2CCCC[N@H+]2Cc2ccccc2)on1 ZINC000299794239 258099358 /nfs/dbraw/zinc/09/93/58/258099358.db2.gz JOCPVLRARFTFNP-GOSISDBHSA-N 1 1 341.455 3.087 50 0 EGAAMO Cn1nccc1-c1nc([C@H]2C[C@@H](c3ccccc3)[N@H+]3CCC[C@H]23)no1 ZINC000299796292 258100483 /nfs/dbraw/zinc/10/04/83/258100483.db2.gz OWPMPMYGQNYMAI-UXLLHSPISA-N 1 1 335.411 3.163 50 0 EGAAMO CCn1cc(C[N@H+](Cc2cccn2-c2ncccn2)CC(C)C)cn1 ZINC000055061126 258060989 /nfs/dbraw/zinc/06/09/89/258060989.db2.gz UHNCBNQXZNNLSI-UHFFFAOYSA-N 1 1 338.459 3.142 50 0 EGAAMO Cc1cc(NC(=O)[C@@H]2CCC[N@H+](C)C2)n(Cc2ccccc2Cl)n1 ZINC000055060764 258061082 /nfs/dbraw/zinc/06/10/82/258061082.db2.gz ACTIZDUNFOZFSK-OAHLLOKOSA-N 1 1 346.862 3.174 50 0 EGAAMO CCOc1ccc(-c2ccc(C[N@@H+](C)[C@@H](C)CC(=O)NC)o2)cc1 ZINC000215968742 258072346 /nfs/dbraw/zinc/07/23/46/258072346.db2.gz PFPGLJSBGZYNBP-AWEZNQCLSA-N 1 1 330.428 3.302 50 0 EGAAMO COc1cc(C[NH+]2CCN(c3cccc(Cl)c3)CC2)ccc1O ZINC000055543582 132195837 /nfs/dbraw/zinc/19/58/37/132195837.db2.gz ZPFYNXXLRHMMLP-UHFFFAOYSA-N 1 1 332.831 3.376 50 0 EGAAMO COc1cc2c(cc1OC)[C@H]1[N@@H+](CC[C@]1(O)c1ccc(F)cc1)CC2 ZINC000004089748 286261230 /nfs/dbraw/zinc/26/12/30/286261230.db2.gz CHVNLMGGTMLHNX-UXHICEINSA-N 1 1 343.398 3.034 50 0 biogenic EGAAMO C[C@@H]1CCCC[N@H+]1CCN(C)C1CCN(C(=O)c2ccccc2)CC1 ZINC000067643800 287269129 /nfs/dbraw/zinc/26/91/29/287269129.db2.gz GJOLMOVSBBBFBE-GOSISDBHSA-N 1 1 343.515 3.097 50 0 EGAAMO C[C@@H]1CCCCN1CC[N@H+](C)C1CCN(C(=O)c2ccccc2)CC1 ZINC000067643800 287269130 /nfs/dbraw/zinc/26/91/30/287269130.db2.gz GJOLMOVSBBBFBE-GOSISDBHSA-N 1 1 343.515 3.097 50 0 EGAAMO C[C@@H]1CCCCN1CC[N@@H+](C)C1CCN(C(=O)c2ccccc2)CC1 ZINC000067643800 287269131 /nfs/dbraw/zinc/26/91/31/287269131.db2.gz GJOLMOVSBBBFBE-GOSISDBHSA-N 1 1 343.515 3.097 50 0 EGAAMO C[N@@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccccc2Cl)N3)C1 ZINC000000551983 277187205 /nfs/dbraw/zinc/18/72/05/277187205.db2.gz ISELMGWQOXTIJY-AWEZNQCLSA-N 1 1 333.844 3.244 50 0 EGAAMO C[N@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccccc2Cl)N3)C1 ZINC000000551983 277187206 /nfs/dbraw/zinc/18/72/06/277187206.db2.gz ISELMGWQOXTIJY-AWEZNQCLSA-N 1 1 333.844 3.244 50 0 EGAAMO CCc1cc(C[N@@H+](C)CCC(=O)Nc2ccc3c(c2)CCC3)on1 ZINC000244866631 455277086 /nfs/dbraw/zinc/27/70/86/455277086.db2.gz VZNCSSZVWYHNME-UHFFFAOYSA-N 1 1 327.428 3.186 50 0 EGAAMO C[C@@H]1CCCC[N@H+]1CC(=O)NCc1cc(-c2ccccc2Cl)on1 ZINC000244734692 455277192 /nfs/dbraw/zinc/27/71/92/455277192.db2.gz NKELILFNGBJMJA-CYBMUJFWSA-N 1 1 347.846 3.486 50 0 EGAAMO CCc1ccc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](C)C4)cc1 ZINC000004838663 452820877 /nfs/dbraw/zinc/82/08/77/452820877.db2.gz GJYQSNPERFPGPI-INIZCTEOSA-N 1 1 327.453 3.153 50 0 EGAAMO CCc1ccc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](C)C4)cc1 ZINC000004838663 452820881 /nfs/dbraw/zinc/82/08/81/452820881.db2.gz GJYQSNPERFPGPI-INIZCTEOSA-N 1 1 327.453 3.153 50 0 EGAAMO COC(=O)c1[nH]c2cccc(C)c2c1NC(=O)C[N@H+]1CCCC[C@@H]1C ZINC000005500652 452879288 /nfs/dbraw/zinc/87/92/88/452879288.db2.gz BHMIVOBPVFXZPQ-ZDUSSCGKSA-N 1 1 343.427 3.076 50 0 EGAAMO OCCOc1ccc(C[N@H+]2CCC[C@@H](Nc3ccccc3)C2)cc1 ZINC000015078114 453554273 /nfs/dbraw/zinc/55/42/73/453554273.db2.gz ZUXOXUZOLITASO-LJQANCHMSA-N 1 1 326.440 3.134 50 0 EGAAMO COCCN1CCC[C@@]2(CC[N@@H+](Cc3cccc4cccnc43)C2)C1 ZINC000015069256 453554852 /nfs/dbraw/zinc/55/48/52/453554852.db2.gz SIWUTPCICILCTH-OAQYLSRUSA-N 1 1 339.483 3.169 50 0 EGAAMO CCOc1ccc(C(=O)N2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000016603695 453614756 /nfs/dbraw/zinc/61/47/56/453614756.db2.gz JWXKTWWUDQYGFT-UHFFFAOYSA-N 1 1 338.451 3.086 50 0 EGAAMO COc1ccccc1NC(=S)N1CC[NH+](Cc2ccccc2)CC1 ZINC000018180701 453646739 /nfs/dbraw/zinc/64/67/39/453646739.db2.gz JPQAPNYWDNSBGY-UHFFFAOYSA-N 1 1 341.480 3.210 50 0 EGAAMO O[C@@H](CSc1ccccc1)C[NH+]1CCN(c2ccccc2F)CC1 ZINC000020385063 453665392 /nfs/dbraw/zinc/66/53/92/453665392.db2.gz ORSPMHYRJHOPCP-MRXNPFEDSA-N 1 1 346.471 3.101 50 0 EGAAMO CC(C)c1cc(C(=O)NC[C@@H](c2cccnc2)[NH+]2CCCCC2)no1 ZINC000082120891 453925471 /nfs/dbraw/zinc/92/54/71/453925471.db2.gz JLAGXAJWLDIEMJ-KRWDZBQOSA-N 1 1 342.443 3.150 50 0 EGAAMO CSc1ccc(C(=O)N2CCCC[C@H]2CC[NH+]2CCOCC2)cc1 ZINC000082121438 453925613 /nfs/dbraw/zinc/92/56/13/453925613.db2.gz WHBIGHYEBHNVFY-KRWDZBQOSA-N 1 1 348.512 3.126 50 0 EGAAMO COCCC[N@H+]1CC[C@@H](CNC(=O)CC23CC4CC(CC(C4)C2)C3)C1 ZINC000055153648 453965956 /nfs/dbraw/zinc/96/59/56/453965956.db2.gz OJMMHQNPWOTILI-PDRSHUBSSA-N 1 1 348.531 3.068 50 0 EGAAMO c1cnn(CC[C@H]2CCCC[N@H+]2Cc2nnc(-c3ccccc3)o2)c1 ZINC000077353643 454095713 /nfs/dbraw/zinc/09/57/13/454095713.db2.gz IYWMASQTTIJIAN-QGZVFWFLSA-N 1 1 337.427 3.378 50 0 EGAAMO c1cnn(CC[C@H]2CCCC[N@H+]2Cc2cc(-c3ccccn3)no2)c1 ZINC000077355810 454096545 /nfs/dbraw/zinc/09/65/45/454096545.db2.gz HAYUAYAAWQUCNE-MRXNPFEDSA-N 1 1 337.427 3.378 50 0 EGAAMO Cn1c2ccccc2nc1C1CCN(c2[nH+]cnc3[nH]ccc32)CC1 ZINC000077453869 454107586 /nfs/dbraw/zinc/10/75/86/454107586.db2.gz ZDEJVIUFBGEUIS-UHFFFAOYSA-N 1 1 332.411 3.229 50 0 EGAAMO O=C1CC[C@]2(CCC[N@H+](CCOc3ccc(F)cc3)C2)CN1C1CC1 ZINC000077459821 454108410 /nfs/dbraw/zinc/10/84/10/454108410.db2.gz BALSVRWUAXWMRW-FQEVSTJZSA-N 1 1 346.446 3.072 50 0 EGAAMO Fc1ccc(-c2c[nH]nc2[C@H]2CCC[N@H+](Cc3ncc[nH]3)C2)cc1 ZINC000077525430 454117773 /nfs/dbraw/zinc/11/77/73/454117773.db2.gz PPJGRDCHYJNRIA-AWEZNQCLSA-N 1 1 325.391 3.319 50 0 EGAAMO Fc1ccc(-c2c[nH]nc2[C@H]2CCC[N@@H+](Cc3ncc[nH]3)C2)cc1 ZINC000077525430 454117776 /nfs/dbraw/zinc/11/77/76/454117776.db2.gz PPJGRDCHYJNRIA-AWEZNQCLSA-N 1 1 325.391 3.319 50 0 EGAAMO CCOC(=O)C[C@H]1CCCC[N@H+]1Cc1nc2ccccc2nc1C ZINC000077539424 454119944 /nfs/dbraw/zinc/11/99/44/454119944.db2.gz KLLXQDWKHOHLLN-OAHLLOKOSA-N 1 1 327.428 3.246 50 0 EGAAMO O=C(c1cccnc1)N1CCC[C@H]1[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000069619149 454125461 /nfs/dbraw/zinc/12/54/61/454125461.db2.gz QPYOWBBLJIDUDA-UXHICEINSA-N 1 1 335.451 3.351 50 0 EGAAMO Clc1ccc(-c2nnc(C[NH+]3CCC(c4cc[nH]n4)CC3)o2)cc1 ZINC000058208901 454171128 /nfs/dbraw/zinc/17/11/28/454171128.db2.gz PCELDTPILHVYOC-UHFFFAOYSA-N 1 1 343.818 3.493 50 0 EGAAMO O=C(Cc1ccc(Cl)cc1F)N1CC[NH+](Cc2ccccc2)CC1 ZINC000071376233 454205259 /nfs/dbraw/zinc/20/52/59/454205259.db2.gz DLAAVVYBCVDHNP-UHFFFAOYSA-N 1 1 346.833 3.366 50 0 EGAAMO O=c1[nH]c2ccccc2cc1C[N@@H+]1CCO[C@H](CCc2ccccc2)C1 ZINC000071415565 454206717 /nfs/dbraw/zinc/20/67/17/454206717.db2.gz VGJRDJFTBYZAPR-HXUWFJFHSA-N 1 1 348.446 3.362 50 0 EGAAMO O=c1[nH]c2ccccc2cc1C[N@H+]1CCO[C@H](CCc2ccccc2)C1 ZINC000071415565 454206720 /nfs/dbraw/zinc/20/67/20/454206720.db2.gz VGJRDJFTBYZAPR-HXUWFJFHSA-N 1 1 348.446 3.362 50 0 EGAAMO COc1ccc(-c2nc(C[N@@H+](C)CC3(CO)CCC3)c(C)o2)c(F)c1 ZINC000071745376 454211490 /nfs/dbraw/zinc/21/14/90/454211490.db2.gz BHDDMTUJAGVJCX-UHFFFAOYSA-N 1 1 348.418 3.392 50 0 EGAAMO COc1ccc(-c2nc(C[NH+]3CCC(O)CC3)c(C)o2)c(C)c1C ZINC000071760386 454215346 /nfs/dbraw/zinc/21/53/46/454215346.db2.gz ILOAJYFDIXJKTI-UHFFFAOYSA-N 1 1 330.428 3.232 50 0 EGAAMO Cc1cc[nH+]c(N2CCC[C@@H](c3nccn3Cc3cscn3)C2)c1 ZINC000095529380 454229163 /nfs/dbraw/zinc/22/91/63/454229163.db2.gz LLKKQHOFJLZPKZ-OAHLLOKOSA-N 1 1 339.468 3.475 50 0 EGAAMO CC[C@@]1(CO)CCC[N@@H+](Cc2ccccc2-n2nc(C)cc2C)C1 ZINC000091364574 454430231 /nfs/dbraw/zinc/43/02/31/454430231.db2.gz SVHNEZDOXXGXMF-HXUWFJFHSA-N 1 1 327.472 3.474 50 0 EGAAMO CC[C@@H](CO)[N@@H+](Cc1cccs1)Cc1cnc2ccccc2n1 ZINC000063884989 454457658 /nfs/dbraw/zinc/45/76/58/454457658.db2.gz IVFXPOBYRSPQHD-HNNXBMFYSA-N 1 1 327.453 3.464 50 0 EGAAMO OCCCC1=NC2=[NH+]C(c3ccccc3)=C[C@@H](c3cccs3)N2N1 ZINC000100435537 454465729 /nfs/dbraw/zinc/46/57/29/454465729.db2.gz SXCSIWWRICKRNF-HNNXBMFYSA-N 1 1 338.436 3.191 50 0 EGAAMO CC(C)[N@@H+](C)Cc1ccc(-c2nc(-c3cccnc3)cc(=O)[nH]2)cc1 ZINC000048330204 454474441 /nfs/dbraw/zinc/47/44/41/454474441.db2.gz ROYJDROHYJFGQT-UHFFFAOYSA-N 1 1 334.423 3.339 50 0 EGAAMO COc1ccccc1OCC[N@H+]1CCC[C@@H](Cc2cccnc2)C1 ZINC000065393595 454559060 /nfs/dbraw/zinc/55/90/60/454559060.db2.gz AMSDLFBOFSAXEC-SFHVURJKSA-N 1 1 326.440 3.424 50 0 EGAAMO CCCc1cnc(C)nc1N1CC[NH+](Cc2ccc(O)c(C)c2)CC1 ZINC000065434387 454566904 /nfs/dbraw/zinc/56/69/04/454566904.db2.gz CWMOEXMWCYKTDY-UHFFFAOYSA-N 1 1 340.471 3.074 50 0 EGAAMO CC(C)C[N@H+]1CCN(c2ccnc3cc(Cl)ccc32)C[C@H]1CCO ZINC000106945203 454735206 /nfs/dbraw/zinc/73/52/06/454735206.db2.gz NTBJEYDUWFPKSP-MRXNPFEDSA-N 1 1 347.890 3.417 50 0 EGAAMO COc1ccc2c(C)nc(N(C)CC[N@H+]3CCCC[C@H]3C)nc2c1 ZINC000247956796 455660584 /nfs/dbraw/zinc/66/05/84/455660584.db2.gz CZWRVDMRYGEXBS-CQSZACIVSA-N 1 1 328.460 3.257 50 0 EGAAMO C[N@@H+](Cc1cnc(SCc2ccccc2)nc1)C1CCOCC1 ZINC000215691421 456026356 /nfs/dbraw/zinc/02/63/56/456026356.db2.gz HWOPPDBHGUKDLU-UHFFFAOYSA-N 1 1 329.469 3.380 50 0 EGAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)C[C@@H](c1ccsc1)n1cccc1 ZINC000263588847 456178343 /nfs/dbraw/zinc/17/83/43/456178343.db2.gz ZEHYKHOEBGWMCH-SJORKVTESA-N 1 1 331.485 3.130 50 0 EGAAMO CO[C@]12CC[N@@H+](Cc3c(C)noc3C)[C@H]1C[C@@H](OCC1CC1)CC2 ZINC000299764256 456781087 /nfs/dbraw/zinc/78/10/87/456781087.db2.gz RBPGDJZLCURLMQ-YTQUADARSA-N 1 1 334.460 3.230 50 0 EGAAMO CO[C@]12CC[N@@H+](CCCSC)[C@H]1C[C@H](Oc1ccccn1)CC2 ZINC000426372065 457813363 /nfs/dbraw/zinc/81/33/63/457813363.db2.gz MRMYJZUPLYVFMF-SOLBZPMBSA-N 1 1 336.501 3.226 50 0 EGAAMO O=C(NC[C@@H](c1ccc(Cl)cc1)[NH+]1CCCC1)c1cncc(F)c1 ZINC000534665397 459344094 /nfs/dbraw/zinc/34/40/94/459344094.db2.gz UNPDWDLVPNNSCC-KRWDZBQOSA-N 1 1 347.821 3.441 50 0 EGAAMO Cc1ccccc1[C@H](NC(=O)N1CCC[N@H+](C)CC1)c1ccccc1 ZINC000534663311 459344592 /nfs/dbraw/zinc/34/45/92/459344592.db2.gz QCWIGSZOQCAKGB-HXUWFJFHSA-N 1 1 337.467 3.432 50 0 EGAAMO Cc1cc(-c2ccc(C(=O)NC[C@@H]3CCCO3)cc2)cn2cc[nH+]c12 ZINC000584889977 459819356 /nfs/dbraw/zinc/81/93/56/459819356.db2.gz VUPQFSSSNILSML-SFHVURJKSA-N 1 1 335.407 3.219 50 0 EGAAMO CC(C)(C)c1cc(C[N@H+]2CCC[C@H](c3nnc4ccccn43)C2)[nH]n1 ZINC000215976369 535106370 /nfs/dbraw/zinc/10/63/70/535106370.db2.gz OILNPULZSGFVEJ-AWEZNQCLSA-N 1 1 338.459 3.130 50 0 EGAAMO COc1cccc(-c2ncc(C[N@@H+](C)CCn3ccnc3)s2)c1 ZINC000215106225 537069807 /nfs/dbraw/zinc/06/98/07/537069807.db2.gz WAHHNWUQXXTTDE-UHFFFAOYSA-N 1 1 328.441 3.147 50 0 EGAAMO COc1ccc(Cn2nc(C)nc2[C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC000670439679 548215756 /nfs/dbraw/zinc/21/57/56/548215756.db2.gz DNLMEUSKHUUAGP-RTBURBONSA-N 1 1 340.471 3.375 50 0 EGAAMO Cc1[nH]nc2c1C[N@H+](C1CCN(c3ccc(F)c(F)c3)CC1)CC2 ZINC000670457249 548219331 /nfs/dbraw/zinc/21/93/31/548219331.db2.gz LKLZEBIQQKWERN-UHFFFAOYSA-N 1 1 332.398 3.023 50 0 EGAAMO Cc1n[nH]c2c1C[N@@H+](C1CCN(c3ccc(F)c(F)c3)CC1)CC2 ZINC000670457249 548219335 /nfs/dbraw/zinc/21/93/35/548219335.db2.gz LKLZEBIQQKWERN-UHFFFAOYSA-N 1 1 332.398 3.023 50 0 EGAAMO Cc1n[nH]c2c1C[N@H+](C1CCN(c3ccc(F)c(F)c3)CC1)CC2 ZINC000670457249 548219339 /nfs/dbraw/zinc/21/93/39/548219339.db2.gz LKLZEBIQQKWERN-UHFFFAOYSA-N 1 1 332.398 3.023 50 0 EGAAMO COc1ncc(CN2CCC([C@@H]3CC[N@@H+](CC(C)(C)C)C3)CC2)cn1 ZINC000012587560 1291133316 /nfs/dbraw/zinc/13/33/16/1291133316.db2.gz AKOHVNPJCMNJOO-GOSISDBHSA-N 1 1 346.519 3.065 50 0 EGAAMO Cc1cc(Cl)ccc1C(=O)[C@H]1CCC[N@H+](Cc2cnc(N)nc2)C1 ZINC000015061706 1291145490 /nfs/dbraw/zinc/14/54/90/1291145490.db2.gz LTTDWQVHGANXKJ-AWEZNQCLSA-N 1 1 344.846 3.116 50 0 EGAAMO Cc1cc(Cl)ccc1C(=O)[C@H]1CCC[N@@H+](Cc2cnc(N)nc2)C1 ZINC000015061706 1291145493 /nfs/dbraw/zinc/14/54/93/1291145493.db2.gz LTTDWQVHGANXKJ-AWEZNQCLSA-N 1 1 344.846 3.116 50 0 EGAAMO Cc1nc(C)c(CC(=O)N[C@H]2CCC[N@@H+](Cc3cccs3)C2)s1 ZINC000827861542 1292390551 /nfs/dbraw/zinc/39/05/51/1292390551.db2.gz LTRYTXDQZODRCG-AWEZNQCLSA-N 1 1 349.525 3.145 50 0 EGAAMO c1ccc(C[N@H+]2CC[C@H](Nc3nccc(-c4cccnc4)n3)C2)cc1 ZINC000096160464 1292949125 /nfs/dbraw/zinc/94/91/25/1292949125.db2.gz VANSHFHTUBYKOA-SFHVURJKSA-N 1 1 331.423 3.225 50 0 EGAAMO CCn1ncc(CN(C)[C@H]2CCC[N@@H+](CCc3ccccc3)C2)c1C ZINC000823603434 1320191080 /nfs/dbraw/zinc/19/10/80/1320191080.db2.gz JZRACSBCTCKVRW-NRFANRHFSA-N 1 1 340.515 3.350 50 0 EGAAMO Cc1ccc(-c2cccc(C[N@H+](C)C3CCS(=O)(=O)CC3)c2)o1 ZINC000823668403 1320197385 /nfs/dbraw/zinc/19/73/85/1320197385.db2.gz DAUQSZGUBRBYAA-UHFFFAOYSA-N 1 1 333.453 3.264 50 0 EGAAMO Cc1[nH+]cn(CCNC(=O)c2cc(C)nc3ccc(Cl)cc32)c1C ZINC000825573692 1320347369 /nfs/dbraw/zinc/34/73/69/1320347369.db2.gz HKZTVFHPLYPBSG-UHFFFAOYSA-N 1 1 342.830 3.440 50 0 EGAAMO O=C(Nc1ccccc1C[NH+]1CCCC1)c1cc(-c2ccccn2)n[nH]1 ZINC000952867551 1334583986 /nfs/dbraw/zinc/58/39/86/1334583986.db2.gz OVISWUZTSFCCFK-UHFFFAOYSA-N 1 1 347.422 3.320 50 0 EGAAMO CCc1nn(C)c(Cl)c1CN[C@@H](C)C[N@@H+]1CCc2ccccc2C1 ZINC000952985431 1334630661 /nfs/dbraw/zinc/63/06/61/1334630661.db2.gz VXEOVXKSKOZXPK-AWEZNQCLSA-N 1 1 346.906 3.172 50 0 EGAAMO CCc1nn(C)c(Cl)c1CN[C@@H](C)C[N@H+]1CCc2ccccc2C1 ZINC000952985431 1334630663 /nfs/dbraw/zinc/63/06/63/1334630663.db2.gz VXEOVXKSKOZXPK-AWEZNQCLSA-N 1 1 346.906 3.172 50 0 EGAAMO Cc1ncc(Cl)c(N2CCC[N@H+](Cc3ccccc3F)CC2)n1 ZINC001704305515 1416435307 /nfs/dbraw/zinc/43/53/07/1416435307.db2.gz KSVJBKJNNMVJGX-UHFFFAOYSA-N 1 1 334.826 3.290 50 0 EGAAMO Cc1ncc(Cl)c(N2CCC[N@@H+](Cc3ccccc3F)CC2)n1 ZINC001704305515 1416435310 /nfs/dbraw/zinc/43/53/10/1416435310.db2.gz KSVJBKJNNMVJGX-UHFFFAOYSA-N 1 1 334.826 3.290 50 0 EGAAMO C[N@@H+](Cc1cc(-c2cccnc2)no1)C[C@@H]1COc2ccccc2O1 ZINC001704353050 1416453598 /nfs/dbraw/zinc/45/35/98/1416453598.db2.gz OUTXOFNZIUVAPM-MRXNPFEDSA-N 1 1 337.379 3.008 50 0 EGAAMO C[N@H+](Cc1cc(-c2cccnc2)no1)C[C@@H]1COc2ccccc2O1 ZINC001704353050 1416453600 /nfs/dbraw/zinc/45/36/00/1416453600.db2.gz OUTXOFNZIUVAPM-MRXNPFEDSA-N 1 1 337.379 3.008 50 0 EGAAMO OC[C@@]12C[N@@H+](Cc3ccc4c(c3)Cc3ccccc3-4)C[C@@H]1COCC2 ZINC001772710731 1441417328 /nfs/dbraw/zinc/41/73/28/1441417328.db2.gz DROGTHQLCMQXFK-DENIHFKCSA-N 1 1 335.447 3.089 50 0 EGAAMO CCC[N@H+]1C[C@H]2CN(c3cnccn3)C[C@@]2(CCc2ccccc2)C1 ZINC001772806182 1441417355 /nfs/dbraw/zinc/41/73/55/1441417355.db2.gz VHMNLVDVYMDDJV-PZJWPPBQSA-N 1 1 336.483 3.258 50 0 EGAAMO Cc1c2ccccc2[nH]c1CN1CC[NH+](Cc2ccccc2CO)CC1 ZINC000097655332 219044023 /nfs/dbraw/zinc/04/40/23/219044023.db2.gz MZHCTYSLQGNDEV-UHFFFAOYSA-N 1 1 349.478 3.286 50 0 EGAAMO Cc1c2ccccc2[nH]c1C[NH+]1CCN(Cc2ccccc2CO)CC1 ZINC000097655332 219044025 /nfs/dbraw/zinc/04/40/25/219044025.db2.gz MZHCTYSLQGNDEV-UHFFFAOYSA-N 1 1 349.478 3.286 50 0 EGAAMO Cc1ccccc1-c1cccc(C[N@H+]2CCc3c(c(CO)nn3C)C2)c1 ZINC000097717109 219050601 /nfs/dbraw/zinc/05/06/01/219050601.db2.gz FPMJJVFAKFLZPB-UHFFFAOYSA-N 1 1 347.462 3.446 50 0 EGAAMO Cc1ccccc1-c1cccc(C[N@@H+]2CCc3c(c(CO)nn3C)C2)c1 ZINC000097717109 219050604 /nfs/dbraw/zinc/05/06/04/219050604.db2.gz FPMJJVFAKFLZPB-UHFFFAOYSA-N 1 1 347.462 3.446 50 0 EGAAMO O=C(NCC[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cc(Cl)c[nH]1 ZINC000097743673 219053211 /nfs/dbraw/zinc/05/32/11/219053211.db2.gz DYDPTGNXQMRTQW-HNNXBMFYSA-N 1 1 331.847 3.310 50 0 EGAAMO FC(F)(F)c1cccc(C[N@H+]2CCCC[C@@H]2CN2CCOCC2)c1 ZINC000097743119 219053507 /nfs/dbraw/zinc/05/35/07/219053507.db2.gz ODFYQYWKILKNHY-QGZVFWFLSA-N 1 1 342.405 3.392 50 0 EGAAMO CC(C)C[N@@H+](CCn1c2ccccc2oc1=O)Cc1ccccn1 ZINC000055211389 214288626 /nfs/dbraw/zinc/28/86/26/214288626.db2.gz XTWREVMVXNQNGE-UHFFFAOYSA-N 1 1 325.412 3.148 50 0 EGAAMO O=S(=O)(c1ccc2ccccc2c1)N1CC[NH+](C2CCCC2)CC1 ZINC000055374416 214314063 /nfs/dbraw/zinc/31/40/63/214314063.db2.gz PDLWYQDNMLPRAF-UHFFFAOYSA-N 1 1 344.480 3.089 50 0 EGAAMO COC[C@H]1CCC[N@@H+](CC(=O)Nc2ccc(C(F)(F)F)cc2)C1 ZINC000056908338 214395102 /nfs/dbraw/zinc/39/51/02/214395102.db2.gz JVFFOAOSYLVLMR-LBPRGKRZSA-N 1 1 330.350 3.002 50 0 EGAAMO Cc1ncsc1CCC(=O)N1CC[C@@]2(C1)CCC[N@@H+](CC1CC1)C2 ZINC000014966081 282231111 /nfs/dbraw/zinc/23/11/11/282231111.db2.gz XUMYJAYVZKOSCA-IBGZPJMESA-N 1 1 347.528 3.109 50 0 EGAAMO COc1cc(OC)cc(C(=O)OC[C@@H]2CCC[N@H+]3CCCC[C@H]23)c1 ZINC000004029354 210102957 /nfs/dbraw/zinc/10/29/57/210102957.db2.gz YPISTRWBQFGSPW-KBXCAEBGSA-N 1 1 333.428 3.125 50 0 biogenic EGAAMO COc1ccc(C[N@H+]2CC[C@@]3(C2)CCCN(C(=O)C(C)C)C3)c(C)c1 ZINC000067605485 215167510 /nfs/dbraw/zinc/16/75/10/215167510.db2.gz KOMYAFTWEYLOJD-OAQYLSRUSA-N 1 1 344.499 3.474 50 0 EGAAMO CC(=O)NC[C@H]1CCC[N@@H+](C/C(C)=C/c2cc(Cl)ccc2O)C1 ZINC000067692137 215187325 /nfs/dbraw/zinc/18/73/25/215187325.db2.gz UQKIELUHHFEOCQ-XETPBLJFSA-N 1 1 336.863 3.297 50 0 EGAAMO O=C(NC[C@H]1CC[N@@H+](Cc2ccncc2)C1)c1cc2ccccc2o1 ZINC000067756331 215204059 /nfs/dbraw/zinc/20/40/59/215204059.db2.gz KCVWUFJHJUMKTF-MRXNPFEDSA-N 1 1 335.407 3.080 50 0 EGAAMO CC(C)[N@@H+]1CCC[C@H](CN(C)Cc2cc3ccccc3[nH]c2=O)C1 ZINC000067821537 215223091 /nfs/dbraw/zinc/22/30/91/215223091.db2.gz MJKQIOVSTAGHOB-MRXNPFEDSA-N 1 1 327.472 3.080 50 0 EGAAMO CC(C)[N@H+]1CCC[C@H](CN(C)Cc2cc3ccccc3[nH]c2=O)C1 ZINC000067821537 215223092 /nfs/dbraw/zinc/22/30/92/215223092.db2.gz MJKQIOVSTAGHOB-MRXNPFEDSA-N 1 1 327.472 3.080 50 0 EGAAMO COc1ccccc1OCC[N@H+](C)Cc1[nH]nc2c1CCCCC2 ZINC000067833585 215224763 /nfs/dbraw/zinc/22/47/63/215224763.db2.gz HKNPAFNXLAZYKJ-UHFFFAOYSA-N 1 1 329.444 3.198 50 0 EGAAMO COc1ccccc1OCC[N@@H+](C)Cc1[nH]nc2c1CCCCC2 ZINC000067833585 215224766 /nfs/dbraw/zinc/22/47/66/215224766.db2.gz HKNPAFNXLAZYKJ-UHFFFAOYSA-N 1 1 329.444 3.198 50 0 EGAAMO Cc1occc1C(=O)NCC[C@H]1CCC[N@@H+](Cc2cccc(O)c2)C1 ZINC000067867598 215235043 /nfs/dbraw/zinc/23/50/43/215235043.db2.gz BCNMROUPRJMGNC-MRXNPFEDSA-N 1 1 342.439 3.326 50 0 EGAAMO C[N@@H+](CCc1nc2ccccc2[nH]1)Cc1cc2ccccc2[nH]c1=O ZINC000067920733 215250160 /nfs/dbraw/zinc/25/01/60/215250160.db2.gz HNXNBXKHZYUUTD-UHFFFAOYSA-N 1 1 332.407 3.079 50 0 EGAAMO CC(C)[N@H+]1CCN(Cc2ccccc2-c2ccco2)C[C@H]1CCO ZINC000104522663 219393250 /nfs/dbraw/zinc/39/32/50/219393250.db2.gz MAHAVLUAFFSGDV-GOSISDBHSA-N 1 1 328.456 3.224 50 0 EGAAMO CC(C)CC[N@H+]1CCN(Cc2c(F)cccc2Cl)C[C@H]1CCO ZINC000104535339 219393311 /nfs/dbraw/zinc/39/33/11/219393311.db2.gz WUHILZDUPLNMOU-OAHLLOKOSA-N 1 1 342.886 3.394 50 0 EGAAMO CCc1ccc(CN2CC[N@@H+](Cc3ccccc3)[C@H](CCO)C2)cc1 ZINC000039421079 213235534 /nfs/dbraw/zinc/23/55/34/213235534.db2.gz JZYVPJSXOBPTSA-JOCHJYFZSA-N 1 1 338.495 3.318 50 0 EGAAMO CCc1ccc(C[N@@H+]2CCN(Cc3ccccc3)[C@H](CCO)C2)cc1 ZINC000039421079 213235538 /nfs/dbraw/zinc/23/55/38/213235538.db2.gz JZYVPJSXOBPTSA-JOCHJYFZSA-N 1 1 338.495 3.318 50 0 EGAAMO CCc1ccc(C[N@H+]2CCN(Cc3ccccc3)[C@H](CCO)C2)cc1 ZINC000039421079 213235540 /nfs/dbraw/zinc/23/55/40/213235540.db2.gz JZYVPJSXOBPTSA-JOCHJYFZSA-N 1 1 338.495 3.318 50 0 EGAAMO CC(C)(C)c1ccc(C(=O)CCC[N@H+]2CCC[C@@](O)(CO)CC2)cc1 ZINC000072128067 216019839 /nfs/dbraw/zinc/01/98/39/216019839.db2.gz XEGUOMYHTLMSCV-NRFANRHFSA-N 1 1 347.499 3.156 50 0 EGAAMO CCCNC(=O)C1([N@@H+](C)CCc2ccccc2)Cc2ccccc2C1 ZINC000072120961 216013344 /nfs/dbraw/zinc/01/33/44/216013344.db2.gz PMXKTEAEHREFFU-UHFFFAOYSA-N 1 1 336.479 3.225 50 0 EGAAMO CCCNc1ncc(C[N@H+]2CCCN(c3ccc(F)cc3)CC2)cn1 ZINC000072156098 216045053 /nfs/dbraw/zinc/04/50/53/216045053.db2.gz IEDXXJSLZSYIEW-UHFFFAOYSA-N 1 1 343.450 3.150 50 0 EGAAMO CCc1[nH+]ccn1CCC(=O)N(C)Cc1cc(-c2ccccc2)no1 ZINC000072418747 216206314 /nfs/dbraw/zinc/20/63/14/216206314.db2.gz KFTVPOSRELEWOZ-UHFFFAOYSA-N 1 1 338.411 3.149 50 0 EGAAMO Cc1cc(NCC[N@H+]2CCC[C@H](c3ccccc3)C2)n2nccc2n1 ZINC000072410209 216202380 /nfs/dbraw/zinc/20/23/80/216202380.db2.gz VNNJYCYXCZFJRS-SFHVURJKSA-N 1 1 335.455 3.329 50 0 EGAAMO c1ccc(CNc2ncnc3c2CC[N@@H+](C[C@H]2CC=CCC2)CC3)nc1 ZINC000072419485 216207783 /nfs/dbraw/zinc/20/77/83/216207783.db2.gz PFYACMCUWCDATL-KRWDZBQOSA-N 1 1 349.482 3.241 50 0 EGAAMO Cc1cc2nc(-c3ccccc3)cc(N3CC[C@]4(CC[N@H+](C)C4)C3)n2n1 ZINC000072453625 216240440 /nfs/dbraw/zinc/24/04/40/216240440.db2.gz KZNXQXJAMQGUKC-NRFANRHFSA-N 1 1 347.466 3.237 50 0 EGAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)c1cc(Br)ccc1Cl ZINC000037975157 213178803 /nfs/dbraw/zinc/17/88/03/213178803.db2.gz JTGJJBGSIMXEEB-LLVKDONJSA-N 1 1 345.668 3.317 50 0 EGAAMO Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@H+](C)CCc1cnn(C)c1 ZINC000216352017 241186030 /nfs/dbraw/zinc/18/60/30/241186030.db2.gz KVKOJGJNEKRFHK-UHFFFAOYSA-N 1 1 341.434 3.036 50 0 EGAAMO CC[N@H+](Cc1cnn(-c2ccccc2OC)c1)C[C@@H]1CCCCO1 ZINC000215499324 241129917 /nfs/dbraw/zinc/12/99/17/241129917.db2.gz SYTSXTAKMSKMRI-KRWDZBQOSA-N 1 1 329.444 3.272 50 0 EGAAMO CC[C@@H](C)Sc1ncc(C[NH+]2CCC(c3cc[nH]n3)CC2)cn1 ZINC000215536491 241131100 /nfs/dbraw/zinc/13/11/00/241131100.db2.gz QOELHPMQNWTCRK-CYBMUJFWSA-N 1 1 331.489 3.470 50 0 EGAAMO C[N@@H+](CC[C@H]1CCCCO1)Cc1cnc(NCc2ccccc2)nc1 ZINC000215541702 241131191 /nfs/dbraw/zinc/13/11/91/241131191.db2.gz KRRZMKDKTVRGSD-LJQANCHMSA-N 1 1 340.471 3.480 50 0 EGAAMO Fc1ccccc1OCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000022033105 212272268 /nfs/dbraw/zinc/27/22/68/212272268.db2.gz HAZUCIGBFAOUBK-UHFFFAOYSA-N 1 1 328.431 3.412 50 0 EGAAMO C[NH+]1CCN(Cc2ccccc2C(=O)c2ccc(F)c(Cl)c2)CC1 ZINC000022028210 212270508 /nfs/dbraw/zinc/27/05/08/212270508.db2.gz FZUUSZYUQMIJQR-UHFFFAOYSA-N 1 1 346.833 3.458 50 0 EGAAMO Cn1cc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)c2ccccc21 ZINC000020893091 212182801 /nfs/dbraw/zinc/18/28/01/212182801.db2.gz UHJSIOCQVDGKFA-UHFFFAOYSA-N 1 1 333.435 3.136 50 0 EGAAMO Cc1cc(C)n(-c2ccccc2CN2CCC[C@H]([NH+](C)C)CC2)n1 ZINC000244602001 243044480 /nfs/dbraw/zinc/04/44/80/243044480.db2.gz DVXGNXVLXBAWSB-IBGZPJMESA-N 1 1 326.488 3.405 50 0 EGAAMO C[N@@H+](Cc1cc(-c2ccccn2)no1)C[C@@H]1CC(c2ccccc2)=NO1 ZINC000244873322 243090274 /nfs/dbraw/zinc/09/02/74/243090274.db2.gz WOEDQBDFKHUYMZ-INIZCTEOSA-N 1 1 348.406 3.362 50 0 EGAAMO C[N@H+](Cc1cc(-c2ccccn2)no1)C[C@@H]1CC(c2ccccc2)=NO1 ZINC000244873322 243090277 /nfs/dbraw/zinc/09/02/77/243090277.db2.gz WOEDQBDFKHUYMZ-INIZCTEOSA-N 1 1 348.406 3.362 50 0 EGAAMO CCCOc1cccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000020512149 212142129 /nfs/dbraw/zinc/14/21/29/212142129.db2.gz VJQJIQTULVLYJL-UHFFFAOYSA-N 1 1 338.451 3.433 50 0 EGAAMO CCOc1ccc(CN2CC[N@H+](C3CCCCC3)C[C@@H]2CCO)cc1 ZINC000020451911 212131067 /nfs/dbraw/zinc/13/10/67/212131067.db2.gz DMPOBLQNEBGETG-FQEVSTJZSA-N 1 1 346.515 3.287 50 0 EGAAMO COc1ccc(CC[N@@H+](C)[C@@H]2CCCN(C3CCC3)C2)cc1OC ZINC000020235461 212112963 /nfs/dbraw/zinc/11/29/63/212112963.db2.gz WHMQVSZDODJWRL-GOSISDBHSA-N 1 1 332.488 3.195 50 0 EGAAMO COc1ccc(CCN(C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc1OC ZINC000020235461 212112957 /nfs/dbraw/zinc/11/29/57/212112957.db2.gz WHMQVSZDODJWRL-GOSISDBHSA-N 1 1 332.488 3.195 50 0 EGAAMO COc1ccc(CC[N@H+](C)[C@@H]2CCCN(C3CCC3)C2)cc1OC ZINC000020235461 212112960 /nfs/dbraw/zinc/11/29/60/212112960.db2.gz WHMQVSZDODJWRL-GOSISDBHSA-N 1 1 332.488 3.195 50 0 EGAAMO Cc1ccc(-c2ccnc(N3CCC[C@@H](c4[nH]cc[nH+]4)C3)n2)c(C)n1 ZINC000077407009 216895771 /nfs/dbraw/zinc/89/57/71/216895771.db2.gz YKRBKRZFPAJPEE-OAHLLOKOSA-N 1 1 334.427 3.263 50 0 EGAAMO CCOc1ccc(C[NH+]2CCN(Cc3cccc(OC)c3)CC2)cc1 ZINC000019842121 212075375 /nfs/dbraw/zinc/07/53/75/212075375.db2.gz QLSGXVAPUVNDFQ-UHFFFAOYSA-N 1 1 340.467 3.412 50 0 EGAAMO CCOc1ccc(CN2CC[NH+](Cc3cccc(OC)c3)CC2)cc1 ZINC000019842121 212075378 /nfs/dbraw/zinc/07/53/78/212075378.db2.gz QLSGXVAPUVNDFQ-UHFFFAOYSA-N 1 1 340.467 3.412 50 0 EGAAMO COc1ccc(C(=O)N2CC[NH+](Cc3ccc(C)cc3C)CC2)cc1 ZINC000019809252 212071280 /nfs/dbraw/zinc/07/12/80/212071280.db2.gz AXTUHEWBLNBVEU-UHFFFAOYSA-N 1 1 338.451 3.270 50 0 EGAAMO c1csc(C[NH+]2CCC(Cn3cc(C4CCCC4)nn3)CC2)n1 ZINC000019792418 212068121 /nfs/dbraw/zinc/06/81/21/212068121.db2.gz PFCRWQLXCXTZGZ-UHFFFAOYSA-N 1 1 331.489 3.304 50 0 EGAAMO Cc1cccc(NC(=O)CCN2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000019361409 212021245 /nfs/dbraw/zinc/02/12/45/212021245.db2.gz LIUOSBCOZMLKBZ-UHFFFAOYSA-N 1 1 337.467 3.141 50 0 EGAAMO Fc1cccc(CN2CCC[C@@]3(CC[N@@H+](Cc4cnc[nH]4)C3)C2)c1F ZINC000012447604 211386065 /nfs/dbraw/zinc/38/60/65/211386065.db2.gz ZQUTURRGZRUNNJ-LJQANCHMSA-N 1 1 346.425 3.176 50 0 EGAAMO O=C(CSc1ccncc1)N[C@@H]1CCC[N@H+](C2CCCCCC2)C1 ZINC000012434962 211380293 /nfs/dbraw/zinc/38/02/93/211380293.db2.gz KQRWSYCIUMXIFA-MRXNPFEDSA-N 1 1 347.528 3.477 50 0 EGAAMO CCc1noc(C)c1C(=O)N[C@H]1CCC[N@@H+](CC2CCCCC2)C1 ZINC000012005635 211279210 /nfs/dbraw/zinc/27/92/10/211279210.db2.gz OKSMWERNAWOODK-INIZCTEOSA-N 1 1 333.476 3.320 50 0 EGAAMO Cc1cc(-c2ccccc2)nc(C[N@@H+]2CC[C@](C)(O)C(C)(C)C2)n1 ZINC000091474630 218011750 /nfs/dbraw/zinc/01/17/50/218011750.db2.gz QREUKBLWXMIBBM-FQEVSTJZSA-N 1 1 325.456 3.435 50 0 EGAAMO Cc1cc(-c2ccccc2)nc(C[N@H+]2CC[C@](C)(O)C(C)(C)C2)n1 ZINC000091474630 218011751 /nfs/dbraw/zinc/01/17/51/218011751.db2.gz QREUKBLWXMIBBM-FQEVSTJZSA-N 1 1 325.456 3.435 50 0 EGAAMO CC1(C)Cc2c(cnn2-c2ccccc2)[C@H](Nc2cc[nH+]c(N)n2)C1 ZINC000091695471 218050512 /nfs/dbraw/zinc/05/05/12/218050512.db2.gz NNTTUWPLNCWMPK-OAHLLOKOSA-N 1 1 334.427 3.370 50 0 EGAAMO COc1cccc(OC)c1C[N@H+]1CC[C@@H](Cc2ccc(CO)cc2)C1 ZINC000091848182 218076477 /nfs/dbraw/zinc/07/64/77/218076477.db2.gz MWVJIZTZNGFEJU-SFHVURJKSA-N 1 1 341.451 3.261 50 0 EGAAMO c1csc(N2CCC[C@H](c3[nH+]ccn3Cc3ccncc3)C2)n1 ZINC000091973954 218097419 /nfs/dbraw/zinc/09/74/19/218097419.db2.gz FLIFNTJJFOBHCZ-HNNXBMFYSA-N 1 1 325.441 3.167 50 0 EGAAMO Cc1noc2ncnc(NCC[N@H+]3CC[C@@H](c4ccccc4C)C3)c12 ZINC000095368657 218301885 /nfs/dbraw/zinc/30/18/85/218301885.db2.gz VGDFRHCHWJWULS-OAHLLOKOSA-N 1 1 337.427 3.136 50 0 EGAAMO CC(C)c1ccc(OCC(=O)NC[C@H](c2ccco2)[NH+](C)C)cc1 ZINC000008991507 211028484 /nfs/dbraw/zinc/02/84/84/211028484.db2.gz GBANOUHBWMPVDT-QGZVFWFLSA-N 1 1 330.428 3.201 50 0 EGAAMO Cc1ccc2nc(CNC(=O)CCC[NH+]3CCCCC3)[nH]c2c1C ZINC000095382208 218314901 /nfs/dbraw/zinc/31/49/01/218314901.db2.gz DKTMVGCTLMMCSE-UHFFFAOYSA-N 1 1 328.460 3.062 50 0 EGAAMO CCc1nc(C)sc1CNC(=O)[C@H]1CCC[N@H+](C2CCCC2)C1 ZINC000095388204 218320673 /nfs/dbraw/zinc/32/06/73/218320673.db2.gz WZMWJAXMAFJIOZ-AWEZNQCLSA-N 1 1 335.517 3.285 50 0 EGAAMO C[NH+](C)[C@@H](C(=O)N(Cc1cccc(O)c1)C1CC1)c1ccc(F)cc1 ZINC000095384144 218315880 /nfs/dbraw/zinc/31/58/80/218315880.db2.gz SGRDSXJKMRZDHY-LJQANCHMSA-N 1 1 342.414 3.325 50 0 EGAAMO CCCCn1nc(-c2ccc(C)o2)nc1[C@@H](C)C[NH+]1CCOCC1 ZINC000096153502 218629470 /nfs/dbraw/zinc/62/94/70/218629470.db2.gz HACHQJQWVQTQCP-AWEZNQCLSA-N 1 1 332.448 3.082 50 0 EGAAMO Cc1ccc(CCNC(=O)[C@H]2C[C@@H](c3ccccc3)[N@H+]3CCC[C@H]23)o1 ZINC000299771645 258084016 /nfs/dbraw/zinc/08/40/16/258084016.db2.gz VHCWAODALLVKFN-ZCNNSNEGSA-N 1 1 338.451 3.472 50 0 EGAAMO CCC[N@H+](CCC(=O)Nc1ccc2c(c1)CCC2)Cc1nccn1C ZINC000299762328 258079440 /nfs/dbraw/zinc/07/94/40/258079440.db2.gz VAQIFPFCVJLTDO-UHFFFAOYSA-N 1 1 340.471 3.150 50 0 EGAAMO CCC[N@@H+](CCC(=O)Nc1ccc2c(c1)CCC2)Cc1nccn1C ZINC000299762328 258079442 /nfs/dbraw/zinc/07/94/42/258079442.db2.gz VAQIFPFCVJLTDO-UHFFFAOYSA-N 1 1 340.471 3.150 50 0 EGAAMO CC[C@@](C)(c1nnnn1C(c1ccccc1)c1ccccc1)[NH+](C)C ZINC000004614313 287399264 /nfs/dbraw/zinc/39/92/64/287399264.db2.gz JFHXOXAGMFPMCP-FQEVSTJZSA-N 1 1 335.455 3.498 50 0 EGAAMO C[C@@H](O)C[N@@H+]1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 ZINC000067676233 274272936 /nfs/dbraw/zinc/27/29/36/274272936.db2.gz OIUUEMMCRQWEBD-GFCCVEGCSA-N 1 1 333.815 3.288 50 0 EGAAMO C[C@@H](O)C[N@H+]1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 ZINC000067676233 274272937 /nfs/dbraw/zinc/27/29/37/274272937.db2.gz OIUUEMMCRQWEBD-GFCCVEGCSA-N 1 1 333.815 3.288 50 0 EGAAMO CC[N@H+]1CCC[C@H]1CNc1ncnc2c1cnn2-c1ccc(C)cc1 ZINC000020662016 276188188 /nfs/dbraw/zinc/18/81/88/276188188.db2.gz OLQXGCQNVBDFEM-INIZCTEOSA-N 1 1 336.443 3.020 50 0 EGAAMO Cc1ccc2ncccc2c1C[N@H+]1CCCC[C@H]1CN1CCOCC1 ZINC000215385917 281171316 /nfs/dbraw/zinc/17/13/16/281171316.db2.gz HXIFJHVNVSZCSH-SFHVURJKSA-N 1 1 339.483 3.230 50 0 EGAAMO Cc1cccc(N2COc3ccc4c5c(c(=O)oc4c3C2)CCC5)[nH+]1 ZINC000006940403 281230697 /nfs/dbraw/zinc/23/06/97/281230697.db2.gz ZMVVUZPHFOQIIM-UHFFFAOYSA-N 1 1 334.375 3.342 50 0 EGAAMO COc1cc(Cl)c(CN2CC[N@H+]3CCC[C@H]3C2)c(Cl)c1OC ZINC000247879937 455652579 /nfs/dbraw/zinc/65/25/79/455652579.db2.gz IRQDVYNFDYEIQK-NSHDSACASA-N 1 1 345.270 3.291 50 0 EGAAMO O=C(CC[N@H+]1CCCC[C@@H]1CCc1ccccn1)Nc1cccnc1 ZINC000244811492 455277149 /nfs/dbraw/zinc/27/71/49/455277149.db2.gz SDSKRQVXGIWMOQ-LJQANCHMSA-N 1 1 338.455 3.293 50 0 EGAAMO CCc1ccc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](C)C4)cc1 ZINC000002474545 452698866 /nfs/dbraw/zinc/69/88/66/452698866.db2.gz GJYQSNPERFPGPI-MRXNPFEDSA-N 1 1 327.453 3.153 50 0 EGAAMO CCc1ccc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](C)C4)cc1 ZINC000002474545 452698875 /nfs/dbraw/zinc/69/88/75/452698875.db2.gz GJYQSNPERFPGPI-MRXNPFEDSA-N 1 1 327.453 3.153 50 0 EGAAMO CCOc1ccc2nc(N3CCC[N@H+](C4CCC4)CC3)nc(C)c2c1 ZINC000011814632 453336141 /nfs/dbraw/zinc/33/61/41/453336141.db2.gz WRZNFKSJBPGPOW-UHFFFAOYSA-N 1 1 340.471 3.402 50 0 EGAAMO O=C1N(CCc2ccccc2)CCC[C@@]12CC[N@H+](C1CCCC1)C2 ZINC000012303944 453354471 /nfs/dbraw/zinc/35/44/71/453354471.db2.gz ZBEMABNZBAGEEM-NRFANRHFSA-N 1 1 326.484 3.486 50 0 EGAAMO Cc1ccccc1N1CCC[N@H+](Cc2nc(-c3ccccn3)no2)CC1 ZINC000012449264 453365637 /nfs/dbraw/zinc/36/56/37/453365637.db2.gz QVQJAUPDHXAKFS-UHFFFAOYSA-N 1 1 349.438 3.152 50 0 EGAAMO Cc1ccccc1N1CCC[N@@H+](Cc2nc(-c3ccccn3)no2)CC1 ZINC000012449264 453365652 /nfs/dbraw/zinc/36/56/52/453365652.db2.gz QVQJAUPDHXAKFS-UHFFFAOYSA-N 1 1 349.438 3.152 50 0 EGAAMO COCC[C@H]1CCCC[N@H+]1Cc1nc(-c2ccc(OC)cc2)no1 ZINC000012592976 453377863 /nfs/dbraw/zinc/37/78/63/453377863.db2.gz UXBMWTXZQWCDBI-OAHLLOKOSA-N 1 1 331.416 3.136 50 0 EGAAMO CCCNC(=O)N(C)C[C@@H]1CCC[N@@H+](CCc2ccccc2OC)C1 ZINC000012585136 453378723 /nfs/dbraw/zinc/37/87/23/453378723.db2.gz OAZFRIOXNFKYTI-KRWDZBQOSA-N 1 1 347.503 3.001 50 0 EGAAMO CCOC(=O)[C@]1(Cc2ccccc2)CCC[N@H+](C2CCOCC2)C1 ZINC000014961892 453549954 /nfs/dbraw/zinc/54/99/54/453549954.db2.gz TWKMWHAQZZEOFD-FQEVSTJZSA-N 1 1 331.456 3.053 50 0 EGAAMO Clc1cccc(N2CCN([C@@H]3CCC[N@@H+](CC4CC4)C3)CC2)c1 ZINC000020779686 453668132 /nfs/dbraw/zinc/66/81/32/453668132.db2.gz UQUWGQIADNGZHP-LJQANCHMSA-N 1 1 333.907 3.336 50 0 EGAAMO COc1ccc(C[N@H+]2CCC[C@@H](CO)C2)cc1OCc1ccccc1 ZINC000023281980 453708454 /nfs/dbraw/zinc/70/84/54/453708454.db2.gz GFRLPUUSLLKXCD-LJQANCHMSA-N 1 1 341.451 3.479 50 0 EGAAMO Cc1nc(-c2ccc3c(c2)CCN3C(=O)C[N@@H+](C)CC2CC2)cs1 ZINC000053184718 453863765 /nfs/dbraw/zinc/86/37/65/453863765.db2.gz ZFCBEDZLCNCPBP-UHFFFAOYSA-N 1 1 341.480 3.349 50 0 EGAAMO Cc1ccc2nc(CC[NH2+][C@@H]3CCOC4(CCOCC4)C3)[nH]c2c1C ZINC000082099451 453923979 /nfs/dbraw/zinc/92/39/79/453923979.db2.gz ZYQGKJPFIQTNPZ-MRXNPFEDSA-N 1 1 343.471 3.040 50 0 EGAAMO COc1nccnc1N1CCC[C@@H](c2[nH+]ccn2Cc2ccccc2)C1 ZINC000082109677 453924715 /nfs/dbraw/zinc/92/47/15/453924715.db2.gz JGJXRBFGKACANO-QGZVFWFLSA-N 1 1 349.438 3.114 50 0 EGAAMO CCOC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(C(F)(F)F)nc2C)C1 ZINC000042784459 454025301 /nfs/dbraw/zinc/02/53/01/454025301.db2.gz PCJGLZNARMGWCW-CYBMUJFWSA-N 1 1 330.350 3.184 50 0 EGAAMO COc1ccc(C(=O)c2ccc(C[NH+]3CCSCC3)cc2)cc1 ZINC000085651232 454035673 /nfs/dbraw/zinc/03/56/73/454035673.db2.gz JBZGDSIYHCSSGR-UHFFFAOYSA-N 1 1 327.449 3.475 50 0 EGAAMO Cc1[nH+]ccn1CCC(=O)N1CCC[C@@H](COc2ccc(C)cc2)C1 ZINC000077428954 454105572 /nfs/dbraw/zinc/10/55/72/454105572.db2.gz YDZIKKJQDFTGDW-GOSISDBHSA-N 1 1 341.455 3.208 50 0 EGAAMO Cn1ccnc1CC[C@H]1CCCC[N@H+]1Cc1cc(C(C)(C)C)n[nH]1 ZINC000077489183 454112296 /nfs/dbraw/zinc/11/22/96/454112296.db2.gz CCBZCCJFZOZWQR-MRXNPFEDSA-N 1 1 329.492 3.428 50 0 EGAAMO Cc1cccn2c(C[N@H+](C)C(C)C)c(C(=O)N3CCCCC3)nc12 ZINC000071416045 454206770 /nfs/dbraw/zinc/20/67/70/454206770.db2.gz CQCQZQDWGGCNHY-UHFFFAOYSA-N 1 1 328.460 3.109 50 0 EGAAMO Cc1c(O)cccc1C(=O)N1CCC[N@@H+](CC2CC2)[C@H](C(C)C)C1 ZINC000071746525 454212074 /nfs/dbraw/zinc/21/20/74/454212074.db2.gz JLFQAYAGTBYVBH-SFHVURJKSA-N 1 1 330.472 3.283 50 0 EGAAMO Cc1[nH+]ccn1[C@@H](C)CC(=O)NC1CCN(c2cccc(C)c2)CC1 ZINC000071714928 454212309 /nfs/dbraw/zinc/21/23/09/454212309.db2.gz QUMZMFPXNTUGES-INIZCTEOSA-N 1 1 340.471 3.236 50 0 EGAAMO Cc1cc(CN(CCc2ccccc2)C[C@H]2CCC[N@H+](C)C2)on1 ZINC000095508597 454224057 /nfs/dbraw/zinc/22/40/57/454224057.db2.gz ICTUZAAIESZNSY-IBGZPJMESA-N 1 1 327.472 3.370 50 0 EGAAMO Cc1cc(C[N@@H+](CCc2ccccc2)C[C@H]2CCCN(C)C2)on1 ZINC000095508597 454224061 /nfs/dbraw/zinc/22/40/61/454224061.db2.gz ICTUZAAIESZNSY-IBGZPJMESA-N 1 1 327.472 3.370 50 0 EGAAMO Cc1cc(C[N@H+](CCc2ccccc2)C[C@H]2CCCN(C)C2)on1 ZINC000095508597 454224066 /nfs/dbraw/zinc/22/40/66/454224066.db2.gz ICTUZAAIESZNSY-IBGZPJMESA-N 1 1 327.472 3.370 50 0 EGAAMO CN(C[C@@H]1CCC[N@@H+](CCc2ccc(F)cc2)C1)C(=O)c1cc[nH]c1 ZINC000095529941 454228693 /nfs/dbraw/zinc/22/86/93/454228693.db2.gz WAWPTRWUBSAZAV-KRWDZBQOSA-N 1 1 343.446 3.181 50 0 EGAAMO Cc1ccc2nc(C)c(C)c(C(=O)N3CC[C@@H]4CC[C@H](C3)[N@H+]4C)c2c1 ZINC000095529222 454228850 /nfs/dbraw/zinc/22/88/50/454228850.db2.gz JICPITYSCFFMKI-DLBZAZTESA-N 1 1 337.467 3.469 50 0 EGAAMO CCc1noc(C)c1C(=O)NCC[N@H+]1CCC[C@@H](c2ccccc2)C1 ZINC000097137372 454414273 /nfs/dbraw/zinc/41/42/73/454414273.db2.gz QZEOQNLQLRZULX-QGZVFWFLSA-N 1 1 341.455 3.155 50 0 EGAAMO C[N@H+]1CCCCC[C@H]1C(=O)NCCc1ccccc1C(F)(F)F ZINC000091425781 454433204 /nfs/dbraw/zinc/43/32/04/454433204.db2.gz JUNRGGPLNQIINR-HNNXBMFYSA-N 1 1 328.378 3.239 50 0 EGAAMO Cc1[nH]c2c(c1CC(=O)NC[C@@H]1CCCC[N@@H+]1C)c(C)ccc2C ZINC000091635454 454454263 /nfs/dbraw/zinc/45/42/63/454454263.db2.gz PRHHSQAXYFPQOY-INIZCTEOSA-N 1 1 327.472 3.236 50 0 EGAAMO CCOc1ccc([C@H](O)C[NH+]2CCN(c3ccccc3F)CC2)cc1 ZINC000065255278 454545688 /nfs/dbraw/zinc/54/56/88/454545688.db2.gz HFOWGUWAWCYGBG-HXUWFJFHSA-N 1 1 344.430 3.080 50 0 EGAAMO Cn1ccnc1C[N@H+]1CC[C@H](c2ccnc(-c3cccc(O)c3)c2)C1 ZINC000065382381 454557834 /nfs/dbraw/zinc/55/78/34/454557834.db2.gz DDWPQFWGQGYOFY-KRWDZBQOSA-N 1 1 334.423 3.177 50 0 EGAAMO C[N@@H+](CCC(=O)Nc1ccccc1Cl)Cc1cc(C2CC2)n[nH]1 ZINC000065417194 454564102 /nfs/dbraw/zinc/56/41/02/454564102.db2.gz BISZKDDFNTXHQV-UHFFFAOYSA-N 1 1 332.835 3.401 50 0 EGAAMO CC(C)c1cc(CN(C)C(=O)C[N@H+](C)Cc2ccc(F)cc2)on1 ZINC000244900274 455278180 /nfs/dbraw/zinc/27/81/80/455278180.db2.gz ZYYOHGXBDWCCJR-UHFFFAOYSA-N 1 1 333.407 3.028 50 0 EGAAMO CC(C)c1cc(CN(C)C(=O)C[N@@H+](C)Cc2ccc(F)cc2)on1 ZINC000244900274 455278185 /nfs/dbraw/zinc/27/81/85/455278185.db2.gz ZYYOHGXBDWCCJR-UHFFFAOYSA-N 1 1 333.407 3.028 50 0 EGAAMO Cc1cc(NC(=O)C[N@@H+]2CCCC[C@H]2CCc2cccs2)no1 ZINC000252500103 455815048 /nfs/dbraw/zinc/81/50/48/455815048.db2.gz SNDQIHQPYCIEEQ-AWEZNQCLSA-N 1 1 333.457 3.470 50 0 EGAAMO Cc1cc(NC(=O)C[N@H+]2CCCC[C@H]2CCc2cccs2)no1 ZINC000252500103 455815052 /nfs/dbraw/zinc/81/50/52/455815052.db2.gz SNDQIHQPYCIEEQ-AWEZNQCLSA-N 1 1 333.457 3.470 50 0 EGAAMO O[C@@H](c1cc2n(n1)CC[N@@H+](CCCc1ccccc1)C2)c1ccccc1 ZINC000220369904 456041061 /nfs/dbraw/zinc/04/10/61/456041061.db2.gz NGMALEVBGWIBIN-JOCHJYFZSA-N 1 1 347.462 3.413 50 0 EGAAMO Cc1[nH+]ccn1CC[C@H](NC(=O)c1cc(C)nc(C)n1)c1ccccc1 ZINC000222903669 456051723 /nfs/dbraw/zinc/05/17/23/456051723.db2.gz BDMJIZGJWVGKLP-SFHVURJKSA-N 1 1 349.438 3.160 50 0 EGAAMO CO[C@@H]1CC[C@@]2(OC)CC[N@@H+](Cc3ccccc3OC(F)F)[C@H]2C1 ZINC000426618043 457863582 /nfs/dbraw/zinc/86/35/82/457863582.db2.gz ASVUHDMLMOKRQJ-UWWQBHOKSA-N 1 1 341.398 3.446 50 0 EGAAMO CCOC(=O)N1CC[C@H]([NH2+]Cc2csc(-c3ccccc3)n2)C1 ZINC000495424831 458853881 /nfs/dbraw/zinc/85/38/81/458853881.db2.gz RWAPDCALVIFRGQ-AWEZNQCLSA-N 1 1 331.441 3.131 50 0 EGAAMO O=C(/C=C/c1ccccc1)N1CCC[N@H+](C2CCSCC2)CC1 ZINC000575615768 459985043 /nfs/dbraw/zinc/98/50/43/459985043.db2.gz HOGUKOLJQXUWOA-BQYQJAHWSA-N 1 1 330.497 3.130 50 0 EGAAMO O=C(/C=C/c1cccs1)N1CCC[N@H+](C2CCSCC2)CC1 ZINC000575615715 459985198 /nfs/dbraw/zinc/98/51/98/459985198.db2.gz HGULEVFVBUBFGD-SNAWJCMRSA-N 1 1 336.526 3.191 50 0 EGAAMO CC(=O)c1cc(C[N@H+]2CCC[C@H](c3nc4ccccc4[nH]3)C2)n(C)c1 ZINC000215746317 534818547 /nfs/dbraw/zinc/81/85/47/534818547.db2.gz CVLXZRQXXRXJGZ-HNNXBMFYSA-N 1 1 336.439 3.484 50 0 EGAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)Nc1ccc(Oc2cccnc2)cc1 ZINC000244794605 535566055 /nfs/dbraw/zinc/56/60/55/535566055.db2.gz QQAIDMLTNOQLIU-MRXNPFEDSA-N 1 1 340.427 3.480 50 0 EGAAMO COCc1nc([C@H]2CCCCC[N@@H+]2C)n(CCc2ccccc2)n1 ZINC000670470444 548221554 /nfs/dbraw/zinc/22/15/54/548221554.db2.gz YHPXYAWTTLCTRZ-QGZVFWFLSA-N 1 1 328.460 3.214 50 0 EGAAMO COCc1nc([C@H]2CCCCC[N@H+]2C)n(CCc2ccccc2)n1 ZINC000670470444 548221557 /nfs/dbraw/zinc/22/15/57/548221557.db2.gz YHPXYAWTTLCTRZ-QGZVFWFLSA-N 1 1 328.460 3.214 50 0 EGAAMO COc1ccc(-c2nc(C[N@H+](C)[C@@H]3CCOC3)c(C)o2)c(OC)c1C ZINC000012579576 1291133344 /nfs/dbraw/zinc/13/33/44/1291133344.db2.gz TUEFVRTYSPSZAK-CQSZACIVSA-N 1 1 346.427 3.196 50 0 EGAAMO COc1ccc(-c2nc(C[N@@H+](C)[C@@H]3CCOC3)c(C)o2)c(OC)c1C ZINC000012579576 1291133348 /nfs/dbraw/zinc/13/33/48/1291133348.db2.gz TUEFVRTYSPSZAK-CQSZACIVSA-N 1 1 346.427 3.196 50 0 EGAAMO CC[N@H+]1CCC[C@H](c2nccn2Cc2cc(-c3ccccn3)no2)C1 ZINC000072127387 1292275173 /nfs/dbraw/zinc/27/51/73/1292275173.db2.gz XPTQVGCDHOTPDO-HNNXBMFYSA-N 1 1 337.427 3.181 50 0 EGAAMO O=C(CCc1ccccc1F)N[C@H]1CC[N@@H+](Cc2ccsc2)C1 ZINC000618256995 1298100298 /nfs/dbraw/zinc/10/02/98/1298100298.db2.gz OGAWOMWCBFOHBX-INIZCTEOSA-N 1 1 332.444 3.211 50 0 EGAAMO CC[C@H](C)c1ccccc1OCC(=O)NCCn1c[nH+]c(C)c1C ZINC000822662314 1320110524 /nfs/dbraw/zinc/11/05/24/1320110524.db2.gz PUHITXGJAZZKQY-AWEZNQCLSA-N 1 1 329.444 3.209 50 0 EGAAMO C[NH+](C)CC(=O)Nc1ccccc1NC(=O)Cc1cccc(Cl)c1 ZINC000823678737 1320197697 /nfs/dbraw/zinc/19/76/97/1320197697.db2.gz XCFPARCHKCIABW-UHFFFAOYSA-N 1 1 345.830 3.021 50 0 EGAAMO C[C@H](CC(N)=O)[N@@H+](C)Cc1ccc2ccn(Cc3ccccc3)c2c1 ZINC000952973595 1334627993 /nfs/dbraw/zinc/62/79/93/1334627993.db2.gz FKUGAAYADCTUFC-MRXNPFEDSA-N 1 1 335.451 3.385 50 0 EGAAMO C[C@@H]1CCC(=O)N1c1cccc(NC(=O)C[N@@H+](C)C2CCCC2)c1 ZINC000952976151 1334628415 /nfs/dbraw/zinc/62/84/15/1334628415.db2.gz QESUZRMHCQIWIS-CQSZACIVSA-N 1 1 329.444 3.015 50 0 EGAAMO CCC[N@H+]1C[C@H]2CN(c3noc(C)n3)C[C@@]2(CCc2ccccc2)C1 ZINC001772810826 1441417564 /nfs/dbraw/zinc/41/75/64/1441417564.db2.gz NXRVVVPBPJMBEC-AZUAARDMSA-N 1 1 340.471 3.159 50 0 EGAAMO CC(C)[C@@H](C)[N@@H+](Cc1ccco1)Cc1cccc(OCC(N)=O)c1 ZINC000055088544 214270450 /nfs/dbraw/zinc/27/04/50/214270450.db2.gz GZSMISBMXBDBRI-OAHLLOKOSA-N 1 1 330.428 3.190 50 0 EGAAMO Cc1nnc([C@H]2CCC[N@@H+]2Cc2c(C)cc(C)cc2-n2cccn2)[nH]1 ZINC000097743555 219053671 /nfs/dbraw/zinc/05/36/71/219053671.db2.gz YBURSHYSAPFJKJ-QGZVFWFLSA-N 1 1 336.443 3.253 50 0 EGAAMO Cc1nnc([C@H]2CCC[N@H+]2Cc2c(C)cc(C)cc2-n2cccn2)[nH]1 ZINC000097743555 219053673 /nfs/dbraw/zinc/05/36/73/219053673.db2.gz YBURSHYSAPFJKJ-QGZVFWFLSA-N 1 1 336.443 3.253 50 0 EGAAMO COCC[N@H+](Cc1ccc(-n2cncn2)cc1)Cc1ccccc1F ZINC000055242954 214293641 /nfs/dbraw/zinc/29/36/41/214293641.db2.gz JPEWWGIDXLFANA-UHFFFAOYSA-N 1 1 340.402 3.055 50 0 EGAAMO COCC[N@@H+](Cc1ccc(-n2cncn2)cc1)Cc1ccccc1F ZINC000055242954 214293643 /nfs/dbraw/zinc/29/36/43/214293643.db2.gz JPEWWGIDXLFANA-UHFFFAOYSA-N 1 1 340.402 3.055 50 0 EGAAMO CSc1ccc(C[N@H+](CCO)Cc2cccc3c2OCO3)cc1 ZINC000055283220 214302046 /nfs/dbraw/zinc/30/20/46/214302046.db2.gz KGCMESMCPWFMIJ-UHFFFAOYSA-N 1 1 331.437 3.132 50 0 EGAAMO CSc1ccc(C[N@@H+](CCO)Cc2cccc3c2OCO3)cc1 ZINC000055283220 214302050 /nfs/dbraw/zinc/30/20/50/214302050.db2.gz KGCMESMCPWFMIJ-UHFFFAOYSA-N 1 1 331.437 3.132 50 0 EGAAMO CCOc1ccccc1OCC[N@@H+](C)Cc1ccc2c(c1)OCCO2 ZINC000055341316 214309037 /nfs/dbraw/zinc/30/90/37/214309037.db2.gz RRBLYTWGYTTXQX-UHFFFAOYSA-N 1 1 343.423 3.367 50 0 EGAAMO Fc1ccc(N2CCC[N@@H+](Cc3ccc4c(c3)OCCO4)CC2)cc1 ZINC000097766484 219056118 /nfs/dbraw/zinc/05/61/18/219056118.db2.gz LIQHYFUVDXISHA-UHFFFAOYSA-N 1 1 342.414 3.309 50 0 EGAAMO CC(C)[N@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2cccn2C)N3)C1 ZINC000004555320 210220937 /nfs/dbraw/zinc/22/09/37/210220937.db2.gz BKEKMVDYLATVPL-OAHLLOKOSA-N 1 1 330.457 3.282 50 0 EGAAMO CC[N@H+]1CCc2c(sc3c2C(=O)N[C@@H](/C=C/c2ccco2)N3)C1 ZINC000004556136 210220087 /nfs/dbraw/zinc/22/00/87/210220087.db2.gz XDZYNNMMCPDSAI-VBROQKIQSA-N 1 1 329.425 3.489 50 0 EGAAMO CO[C@H]1[C@@H]2CC[C@H]1C[N@H+](Cc1cnn(-c3cccc(Cl)c3)c1)C2 ZINC000102528860 219208809 /nfs/dbraw/zinc/20/88/09/219208809.db2.gz GGLVEAFKWBPOTF-HWWDLCQESA-N 1 1 331.847 3.383 50 0 EGAAMO CCNC(=O)[C@H]1CC[N@@H+](Cc2nc(-c3cccc(Cl)c3)oc2C)C1 ZINC000067473085 215151216 /nfs/dbraw/zinc/15/12/16/215151216.db2.gz RGOQLOGKOFWEIG-AWEZNQCLSA-N 1 1 347.846 3.261 50 0 EGAAMO Cc1cc(C)n([C@H]2CC[N@@H+](Cc3cccc(Cn4cccn4)c3)C2)n1 ZINC000067649797 215174035 /nfs/dbraw/zinc/17/40/35/215174035.db2.gz OOIHLIRAIHUSFN-FQEVSTJZSA-N 1 1 335.455 3.192 50 0 EGAAMO COc1ccc(C)cc1C(=O)NC[C@@H]1CC[N@@H+](CCC(F)(F)F)C1 ZINC000067713548 215191456 /nfs/dbraw/zinc/19/14/56/215191456.db2.gz JRWPPNXKUHEGDE-ZDUSSCGKSA-N 1 1 344.377 3.008 50 0 EGAAMO CC(=O)Nc1ccc(C[N@H+]2CCC[C@H](CNC(=O)C(C)(C)C)C2)cc1 ZINC000067756230 215204866 /nfs/dbraw/zinc/20/48/66/215204866.db2.gz NSUNKPDWRHPOFH-QGZVFWFLSA-N 1 1 345.487 3.019 50 0 EGAAMO O[C@@H]1C[N@@H+](Cc2ccc(-c3cc[nH]n3)o2)CC[C@H]1c1ccc(F)cc1 ZINC000067757679 215206620 /nfs/dbraw/zinc/20/66/20/215206620.db2.gz SWFPKENPOXJCII-FUHWJXTLSA-N 1 1 341.386 3.159 50 0 EGAAMO CCN(C(C)=O)[C@@H]1CC[N@H+](Cc2nc(-c3ccccc3C)oc2C)C1 ZINC000067771638 215207493 /nfs/dbraw/zinc/20/74/93/215207493.db2.gz ITFHRBWRLKOBMG-QGZVFWFLSA-N 1 1 341.455 3.401 50 0 EGAAMO CCN(C(C)=O)[C@@H]1CC[N@@H+](Cc2nc(-c3ccccc3C)oc2C)C1 ZINC000067771638 215207497 /nfs/dbraw/zinc/20/74/97/215207497.db2.gz ITFHRBWRLKOBMG-QGZVFWFLSA-N 1 1 341.455 3.401 50 0 EGAAMO CCOc1cccc(OCC[N@H+]2CCc3[nH]nc(C(C)C)c3C2)c1 ZINC000067846868 215229128 /nfs/dbraw/zinc/22/91/28/215229128.db2.gz SNAQYAPDKSFTCB-UHFFFAOYSA-N 1 1 329.444 3.369 50 0 EGAAMO CCOc1cccc(OCC[N@@H+]2CCc3n[nH]c(C(C)C)c3C2)c1 ZINC000067846868 215229132 /nfs/dbraw/zinc/22/91/32/215229132.db2.gz SNAQYAPDKSFTCB-UHFFFAOYSA-N 1 1 329.444 3.369 50 0 EGAAMO CCOc1cccc(OCC[N@H+]2CCc3n[nH]c(C(C)C)c3C2)c1 ZINC000067846868 215229136 /nfs/dbraw/zinc/22/91/36/215229136.db2.gz SNAQYAPDKSFTCB-UHFFFAOYSA-N 1 1 329.444 3.369 50 0 EGAAMO Cc1c[nH]c(-c2c(-c3ccccc3)ncn2CCn2cc[nH+]c2C)n1 ZINC000067847408 215230151 /nfs/dbraw/zinc/23/01/51/215230151.db2.gz YXERMFGIUGEINH-UHFFFAOYSA-N 1 1 332.411 3.454 50 0 EGAAMO O=C(CCc1cc(Cl)no1)NC[C@H]1CCC[N@H+](C2CCCC2)C1 ZINC000067946833 215256198 /nfs/dbraw/zinc/25/61/98/215256198.db2.gz WIFWLFHIXCTEFV-CYBMUJFWSA-N 1 1 339.867 3.031 50 0 EGAAMO CSCc1noc(C[NH2+]C2CCN(c3cccc(C)c3C)CC2)n1 ZINC000067921299 215251131 /nfs/dbraw/zinc/25/11/31/215251131.db2.gz MUTRVCPHANYGQN-UHFFFAOYSA-N 1 1 346.500 3.308 50 0 EGAAMO O=C(c1ccncc1)N1CCC[C@H]1[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000069348485 215382173 /nfs/dbraw/zinc/38/21/73/215382173.db2.gz DLTHOCRRQVUWSB-UXHICEINSA-N 1 1 335.451 3.351 50 0 EGAAMO CSc1ccc(CN2CC[N@@H+](CC=C(C)C)[C@H](CCO)C2)cc1 ZINC000104534421 219393366 /nfs/dbraw/zinc/39/33/66/219393366.db2.gz BSVXFVLEQLBCOS-GOSISDBHSA-N 1 1 334.529 3.243 50 0 EGAAMO COC[C@H]1CC[N@@H+](Cc2nc(-c3ccc(OC)cc3F)oc2C)C1 ZINC000071747565 215805069 /nfs/dbraw/zinc/80/50/69/215805069.db2.gz SWWZAYFEWZCNAY-ZDUSSCGKSA-N 1 1 334.391 3.266 50 0 EGAAMO c1cn(-c2ccc(C[N@@H+]3CCC[C@@H](OCc4ccccn4)C3)cc2)cn1 ZINC000072138728 216025716 /nfs/dbraw/zinc/02/57/16/216025716.db2.gz XSNJNWWXKKZDAC-OAQYLSRUSA-N 1 1 348.450 3.449 50 0 EGAAMO CCOC(=O)C[C@H]1CCCC[N@H+]1Cc1cc(-c2ccccn2)no1 ZINC000072157358 216047333 /nfs/dbraw/zinc/04/73/33/216047333.db2.gz AYPAOCOXZGFHFR-CQSZACIVSA-N 1 1 329.400 3.044 50 0 EGAAMO CCCCn1c2ccccc2nc1C[N@H+]1CCC[C@H](CCC(N)=O)C1 ZINC000072166614 216056576 /nfs/dbraw/zinc/05/65/76/216056576.db2.gz DAUNHYZZASOIQZ-MRXNPFEDSA-N 1 1 342.487 3.314 50 0 EGAAMO COC(=O)CCn1cc(C[N@H+]2CCC[C@@H](c3ccccc3C)C2)cn1 ZINC000072419104 216207919 /nfs/dbraw/zinc/20/79/19/216207919.db2.gz ADKLMQMDXNYNBZ-GOSISDBHSA-N 1 1 341.455 3.134 50 0 EGAAMO O=C1C[C@H]([NH+]2CCCCC2)C(=O)N1c1cc(Cl)cc(Cl)c1 ZINC000000062748 209395868 /nfs/dbraw/zinc/39/58/68/209395868.db2.gz XRTYYLVQODHJOB-ZDUSSCGKSA-N 1 1 327.211 3.111 50 0 EGAAMO COc1ccc2n[nH]c(CN3CCC([C@H](C)[NH+]4CCCC4)CC3)c2c1 ZINC000072436381 216231468 /nfs/dbraw/zinc/23/14/68/216231468.db2.gz KNDCWBBGSWBFCA-HNNXBMFYSA-N 1 1 342.487 3.268 50 0 EGAAMO COc1ccc2[nH]nc(CN3CCC([C@H](C)[NH+]4CCCC4)CC3)c2c1 ZINC000072436381 216231472 /nfs/dbraw/zinc/23/14/72/216231472.db2.gz KNDCWBBGSWBFCA-HNNXBMFYSA-N 1 1 342.487 3.268 50 0 EGAAMO CC[N@H+](Cc1c[nH]nc1-c1ccc(OC)cc1F)C[C@H]1CCCO1 ZINC000072463683 216246516 /nfs/dbraw/zinc/24/65/16/216246516.db2.gz HRCHPQVHIOJGNS-OAHLLOKOSA-N 1 1 333.407 3.225 50 0 EGAAMO Cc1ccc(Sc2ccc(C[N@@H+]3CCC[C@](O)(CO)C3)o2)cc1 ZINC000072478741 216256822 /nfs/dbraw/zinc/25/68/22/216256822.db2.gz FLQGBSTUGZDDCB-GOSISDBHSA-N 1 1 333.453 3.058 50 0 EGAAMO Cc1ccc(Sc2ccc(C[N@H+]3CCC[C@](O)(CO)C3)o2)cc1 ZINC000072478741 216256824 /nfs/dbraw/zinc/25/68/24/216256824.db2.gz FLQGBSTUGZDDCB-GOSISDBHSA-N 1 1 333.453 3.058 50 0 EGAAMO COc1cccc([C@@H]2CCC[N@H+]2Cc2ccc(OCCO)cc2)c1 ZINC000072479745 216258670 /nfs/dbraw/zinc/25/86/70/216258670.db2.gz AHCGMXYSBSIOGB-FQEVSTJZSA-N 1 1 327.424 3.403 50 0 EGAAMO CC(C)=CC[N@H+]1CCN(C/C=C/c2ccc(F)cc2)C[C@@H]1CCO ZINC000022920223 212334917 /nfs/dbraw/zinc/33/49/17/212334917.db2.gz CCBVTOSCDSMSSQ-YADGQWAMSA-N 1 1 332.463 3.174 50 0 EGAAMO CCc1ccc([C@H](C[NH2+]Cc2cnn(-c3ccccc3)n2)N(C)C)cc1 ZINC000022787482 212324673 /nfs/dbraw/zinc/32/46/73/212324673.db2.gz VAPSHYLROYHDAR-NRFANRHFSA-N 1 1 349.482 3.222 50 0 EGAAMO COc1ccc(-c2ncc(C[N@@H+]3CCOC4(CCCC4)C3)cn2)cc1 ZINC000215823612 241147184 /nfs/dbraw/zinc/14/71/84/241147184.db2.gz RHKLOKBGKLOKCG-UHFFFAOYSA-N 1 1 339.439 3.297 50 0 EGAAMO COc1ccc(-c2ncc(C[N@H+]3CCOC4(CCCC4)C3)cn2)cc1 ZINC000215823612 241147189 /nfs/dbraw/zinc/14/71/89/241147189.db2.gz RHKLOKBGKLOKCG-UHFFFAOYSA-N 1 1 339.439 3.297 50 0 EGAAMO CCc1nn(C)c(Cl)c1CN(C)Cc1ccc2c(c1)C[N@H+](C)C2 ZINC000216364484 241185424 /nfs/dbraw/zinc/18/54/24/241185424.db2.gz JGIADOPNDHDJTI-UHFFFAOYSA-N 1 1 332.879 3.213 50 0 EGAAMO Cc1nn(C)c(C)c1C[N@@H+](C)Cc1cc(C)cc(C)c1-n1cccn1 ZINC000215604087 241134026 /nfs/dbraw/zinc/13/40/26/241134026.db2.gz WZDABTMDQVELEW-UHFFFAOYSA-N 1 1 337.471 3.471 50 0 EGAAMO O=C(NC[C@H](c1ccsc1)[N@@H+]1CCc2ccccc2C1)C1CC1 ZINC000020951127 212192945 /nfs/dbraw/zinc/19/29/45/212192945.db2.gz JATWPTYGPWFZQT-GOSISDBHSA-N 1 1 326.465 3.374 50 0 EGAAMO O=C(NC[C@H](c1ccsc1)[N@H+]1CCc2ccccc2C1)C1CC1 ZINC000020951127 212192948 /nfs/dbraw/zinc/19/29/48/212192948.db2.gz JATWPTYGPWFZQT-GOSISDBHSA-N 1 1 326.465 3.374 50 0 EGAAMO COc1cc(C)c(CN2CC[N@@H+](C3CCCC3)[C@@H](CCO)C2)cc1C ZINC000020910454 212187130 /nfs/dbraw/zinc/18/71/30/212187130.db2.gz IYEWVCZQNZHFPK-FQEVSTJZSA-N 1 1 346.515 3.123 50 0 EGAAMO C[C@@H]([C@@H](O)c1ccccc1)[N@@H+](C)CCC(=O)Nc1cc(F)ccc1F ZINC000243932529 243035643 /nfs/dbraw/zinc/03/56/43/243035643.db2.gz BXACPDBWUHLNFG-ORAYPTAESA-N 1 1 348.393 3.347 50 0 EGAAMO O=C(Cc1ccsc1)NCC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000244601762 243040970 /nfs/dbraw/zinc/04/09/70/243040970.db2.gz DRLCYPFZMKYBTK-KRWDZBQOSA-N 1 1 328.481 3.319 50 0 EGAAMO Cc1nccc(C2CC[NH+]([C@@H](C)C(=O)Nc3ccc(F)cc3)CC2)n1 ZINC000244874557 243095304 /nfs/dbraw/zinc/09/53/04/243095304.db2.gz XDDLSLOTJPUNLH-ZDUSSCGKSA-N 1 1 342.418 3.131 50 0 EGAAMO CCC[NH+]1CCN(C(=O)[C@@H](C)Oc2ccc3ccccc3c2)CC1 ZINC000020595096 212150407 /nfs/dbraw/zinc/15/04/07/212150407.db2.gz AUKXOYZMMQDDQQ-MRXNPFEDSA-N 1 1 326.440 3.161 50 0 EGAAMO CCN1CC[NH+](CCCOc2ccc(C)cc2Br)CC1 ZINC000020390078 212124768 /nfs/dbraw/zinc/12/47/68/212124768.db2.gz PBIPRJCAMWRVFN-UHFFFAOYSA-N 1 1 341.293 3.164 50 0 EGAAMO Clc1ccc(OCCC[NH+]2CCOCC2)c(Br)c1 ZINC000020118016 212103409 /nfs/dbraw/zinc/10/34/09/212103409.db2.gz NQJNLOQBOVQIES-UHFFFAOYSA-N 1 1 334.641 3.204 50 0 EGAAMO CCN1CCN(C2CC[NH+](Cc3cccc4ccccc43)CC2)CC1 ZINC000019888831 212080038 /nfs/dbraw/zinc/08/00/38/212080038.db2.gz IJWYSZNXDHKPSF-UHFFFAOYSA-N 1 1 337.511 3.442 50 0 EGAAMO CN(C)c1ccc(C(=S)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000019842650 212075130 /nfs/dbraw/zinc/07/51/30/212075130.db2.gz IHGWBNGPQYGHMF-UHFFFAOYSA-N 1 1 339.508 3.246 50 0 EGAAMO C[C@@H]1C[N@H+](C[C@@H](O)Cn2c3ccccc3c3ccccc32)C[C@H](C)O1 ZINC000012378338 211360177 /nfs/dbraw/zinc/36/01/77/211360177.db2.gz BTEPOPVDLPKRBZ-IXDOHACOSA-N 1 1 338.451 3.265 50 0 EGAAMO C[N@@H+](Cc1ccccc1)[C@H]1CCCN(C(=O)/C=C/c2ccncc2)C1 ZINC000012320189 211343886 /nfs/dbraw/zinc/34/38/86/211343886.db2.gz ZUKFVAQPJPHTFW-XTXLJPNXSA-N 1 1 335.451 3.218 50 0 EGAAMO C[N@H+](Cc1nc(-c2cnccn2)no1)Cc1cccc2ccccc21 ZINC000012198161 211317449 /nfs/dbraw/zinc/31/74/49/211317449.db2.gz OXFIPTAIVVAXRC-UHFFFAOYSA-N 1 1 331.379 3.312 50 0 EGAAMO C[N@@H+](Cc1nc(-c2cnccn2)no1)Cc1cccc2ccccc21 ZINC000012198161 211317452 /nfs/dbraw/zinc/31/74/52/211317452.db2.gz OXFIPTAIVVAXRC-UHFFFAOYSA-N 1 1 331.379 3.312 50 0 EGAAMO Fc1ccc(C[N@H+]2CCC[C@@]3(CCN(Cc4ncc[nH]4)C3)C2)cc1F ZINC000012198020 211317183 /nfs/dbraw/zinc/31/71/83/211317183.db2.gz KXXHQVGERKSNDS-LJQANCHMSA-N 1 1 346.425 3.176 50 0 EGAAMO O=C(c1ccc(Cl)c(F)c1)N1C[C@H]2CC[C@H](C[N@@H+]2CC2CC2)C1 ZINC000091494566 218014377 /nfs/dbraw/zinc/01/43/77/218014377.db2.gz PISALHIRHVPLNN-UKRRQHHQSA-N 1 1 336.838 3.426 50 0 EGAAMO Cn1cncc1CN1CCC2(CC1)C[C@@H](c1ccccc1)C[N@H+](C)C2 ZINC000091518987 218017053 /nfs/dbraw/zinc/01/70/53/218017053.db2.gz PDKPJKAQIUXSJI-LJQANCHMSA-N 1 1 338.499 3.122 50 0 EGAAMO Cn1cncc1CN1CCC2(CC1)C[C@@H](c1ccccc1)C[N@@H+](C)C2 ZINC000091518987 218017055 /nfs/dbraw/zinc/01/70/55/218017055.db2.gz PDKPJKAQIUXSJI-LJQANCHMSA-N 1 1 338.499 3.122 50 0 EGAAMO c1cc2cc(C[N@H+]3C[C@H]4CC[C@@H]3CN(c3ncccn3)C4)ccc2[nH]1 ZINC000091603794 218030720 /nfs/dbraw/zinc/03/07/20/218030720.db2.gz IATWIDYBZTZLHG-SJLPKXTDSA-N 1 1 333.439 3.059 50 0 EGAAMO O=C1N(CCc2ccccc2)CCC[C@]12CC[N@@H+](Cc1ccccn1)C2 ZINC000011821745 211252745 /nfs/dbraw/zinc/25/27/45/211252745.db2.gz PUJYZEUSVNRXAF-JOCHJYFZSA-N 1 1 349.478 3.139 50 0 EGAAMO Fc1cccnc1N1CCC[C@@H](c2[nH+]ccn2Cc2ccncc2)C1 ZINC000091690456 218047731 /nfs/dbraw/zinc/04/77/31/218047731.db2.gz RKDBSXZFMGXHRW-MRXNPFEDSA-N 1 1 337.402 3.245 50 0 EGAAMO CN(C[C@H]1CCC[N@@H+](CCc2ccccc2F)C1)C(=O)c1ccoc1 ZINC000011769419 211246099 /nfs/dbraw/zinc/24/60/99/211246099.db2.gz UJCWGLZPNWKEKN-MRXNPFEDSA-N 1 1 344.430 3.445 50 0 EGAAMO COc1cc(F)c(C[N@H+]2CC[C@@](O)(C3CCC3)[C@H](C)C2)cc1OC ZINC000091665296 218044800 /nfs/dbraw/zinc/04/48/00/218044800.db2.gz IDQPUMGMJPBOQE-YJYMSZOUSA-N 1 1 337.435 3.216 50 0 EGAAMO CC(=O)N1C[C@H]2CC[C@H](C[N@H+]2Cc2cccc(C(F)(F)F)c2)C1 ZINC000091676762 218045638 /nfs/dbraw/zinc/04/56/38/218045638.db2.gz VNKNVASYIRWGHE-GOEBONIOSA-N 1 1 326.362 3.148 50 0 EGAAMO CC(=O)N1C[C@H]2CC[C@H](C[N@@H+]2Cc2cccc(C(F)(F)F)c2)C1 ZINC000091676762 218045641 /nfs/dbraw/zinc/04/56/41/218045641.db2.gz VNKNVASYIRWGHE-GOEBONIOSA-N 1 1 326.362 3.148 50 0 EGAAMO O=C1NCCC[C@]12CC[N@@H+](Cc1cccc(OC3CCCC3)c1)C2 ZINC000091781665 218065218 /nfs/dbraw/zinc/06/52/18/218065218.db2.gz QYVJEUHJNDTSGG-HXUWFJFHSA-N 1 1 328.456 3.110 50 0 EGAAMO COCC[C@@]1(CO)CCC[N@@H+](Cc2cc(C(C)C)ccc2OC)C1 ZINC000091847778 218076333 /nfs/dbraw/zinc/07/63/33/218076333.db2.gz HCLNXECJCJKYAF-FQEVSTJZSA-N 1 1 335.488 3.430 50 0 EGAAMO Cc1[nH+]ccn1-c1ccccc1CNC(=O)c1cn2cc(C)ccc2n1 ZINC000091871279 218081200 /nfs/dbraw/zinc/08/12/00/218081200.db2.gz QDYKJJHYUZEEPL-UHFFFAOYSA-N 1 1 345.406 3.067 50 0 EGAAMO CC(=O)c1cnc(NCC[N@H+]2CCC[C@H](c3ccccc3)C2)nc1C ZINC000092046870 218110345 /nfs/dbraw/zinc/11/03/45/218110345.db2.gz PDHUVMLHDBQIRV-SFHVURJKSA-N 1 1 338.455 3.279 50 0 EGAAMO Cc1cc(C)c2[nH]c(C[N@H+]3CCC[C@@H](c4cc[nH]n4)C3)cc(=O)c2c1 ZINC000092062239 218112290 /nfs/dbraw/zinc/11/22/90/218112290.db2.gz QKXHIQLPNXECDM-OAHLLOKOSA-N 1 1 336.439 3.248 50 0 EGAAMO O=C(NCCc1c[nH]c2ccccc12)[C@H](c1cccnc1)[NH+]1CCCC1 ZINC000095354818 218288662 /nfs/dbraw/zinc/28/86/62/218288662.db2.gz OVWCMQHAYWFYLW-FQEVSTJZSA-N 1 1 348.450 3.059 50 0 EGAAMO O=C(NCCc1c[nH]c2ccccc12)[C@@H](c1cccnc1)[NH+]1CCCC1 ZINC000095354817 218288755 /nfs/dbraw/zinc/28/87/55/218288755.db2.gz OVWCMQHAYWFYLW-HXUWFJFHSA-N 1 1 348.450 3.059 50 0 EGAAMO COc1ccccc1C1CCN(C(=O)[C@@H]2CCCCC[N@H+]2C)CC1 ZINC000095356152 218289243 /nfs/dbraw/zinc/28/92/43/218289243.db2.gz PRHWBULPRVEFMN-SFHVURJKSA-N 1 1 330.472 3.276 50 0 EGAAMO C[N@H+]1CCCCC[C@H]1C(=O)NCc1nc(-c2ccc(F)cc2)cs1 ZINC000095368062 218300685 /nfs/dbraw/zinc/30/06/85/218300685.db2.gz NGKITUSZUNGUGQ-INIZCTEOSA-N 1 1 347.459 3.440 50 0 EGAAMO Cc1nc(C)c(C(=O)N2C[C@H]3CC[C@H](C[N@@H+]3CC3CCC3)C2)s1 ZINC000095376650 218308503 /nfs/dbraw/zinc/30/85/03/218308503.db2.gz ANIJYRIMOZOSBL-HZPDHXFCSA-N 1 1 333.501 3.096 50 0 EGAAMO O=C(CCc1cccnc1)N1C[C@H]2CC[C@H](C[N@@H+]2Cc2ccccc2)C1 ZINC000095368732 218301149 /nfs/dbraw/zinc/30/11/49/218301149.db2.gz MFHHXEWAKMBGTO-NHCUHLMSSA-N 1 1 349.478 3.137 50 0 EGAAMO Cc1cccc(CC2(NC(=O)[C@H](c3cccnc3)[NH+]3CCCC3)CC2)c1 ZINC000095368697 218301618 /nfs/dbraw/zinc/30/16/18/218301618.db2.gz IRAKIWXUKFAQJJ-FQEVSTJZSA-N 1 1 349.478 3.418 50 0 EGAAMO Cc1cc(C)c2c(ncnc2NC[C@H]2CC[N@H+](C3CCCC3)C2)n1 ZINC000095386935 218318897 /nfs/dbraw/zinc/31/88/97/218318897.db2.gz LUJPYNSSPWDAQN-OAHLLOKOSA-N 1 1 325.460 3.318 50 0 EGAAMO Cc1cccc(NC(=O)CSc2nnc([C@@H]([NH3+])CC(C)C)o2)c1C ZINC000005025470 210365595 /nfs/dbraw/zinc/36/55/95/210365595.db2.gz WJIMXUIACODDRB-ZDUSSCGKSA-N 1 1 348.472 3.463 50 0 EGAAMO C[C@@H]1CCCC[N@H+]1C1CN(C(=O)c2c[nH]nc2C2CCCCC2)C1 ZINC000097323925 219012196 /nfs/dbraw/zinc/01/21/96/219012196.db2.gz VTQPDNCOSMAZAC-CQSZACIVSA-N 1 1 330.476 3.156 50 0 EGAAMO COc1cc2c(cc1C[N@H+]1CCC[C@H](Cn3ccnc3)C1)CCC2 ZINC000097346700 219013608 /nfs/dbraw/zinc/01/36/08/219013608.db2.gz LCQXXMGDKUDYNA-INIZCTEOSA-N 1 1 325.456 3.293 50 0 EGAAMO COc1cc(Cl)cc(C[NH+]2CCC(c3ncon3)CC2)c1OC ZINC000097499435 219030585 /nfs/dbraw/zinc/03/05/85/219030585.db2.gz DMWNFBNCCPNORY-UHFFFAOYSA-N 1 1 337.807 3.120 50 0 EGAAMO COc1cccc(C[N@H+]2CCC[C@@H](C(=O)N3CCCCCC3)C2)c1 ZINC000004746151 210269147 /nfs/dbraw/zinc/26/91/47/210269147.db2.gz BGQHZTFRCSQMNL-GOSISDBHSA-N 1 1 330.472 3.310 50 0 EGAAMO OCC[C@@H]1C[N@H+](C2CCCCCC2)CCN1Cc1ccc(F)cc1 ZINC000019792564 285264169 /nfs/dbraw/zinc/26/41/69/285264169.db2.gz NJJSTJKOOBCJGP-HXUWFJFHSA-N 1 1 334.479 3.417 50 0 EGAAMO CCOc1ccc(C[N@H+]2CC[C@]3(OC)CC[C@H](O)C[C@H]23)cc1Cl ZINC000299779053 258088625 /nfs/dbraw/zinc/08/86/25/258088625.db2.gz SDWXFXWFOCGPSU-JCGIZDLHSA-N 1 1 339.863 3.243 50 0 EGAAMO CO[C@]12CC[N@@H+](Cc3nc(-c4ccccc4)cs3)[C@H]1C[C@@H](O)CC2 ZINC000299781477 258090218 /nfs/dbraw/zinc/09/02/18/258090218.db2.gz VZUNPCPEAGUMGX-VDZJLULYSA-N 1 1 344.480 3.314 50 0 EGAAMO CCCc1ccc(C(=O)Nc2ccc(NC(=O)C[NH+](C)C)cc2)cc1 ZINC000175096846 265093804 /nfs/dbraw/zinc/09/38/04/265093804.db2.gz VMNGKJMEIMZKDC-UHFFFAOYSA-N 1 1 339.439 3.392 50 0 EGAAMO CN1C[C@@]2(CCCN(c3cc[nH+]c4cc(Cl)ccc43)C2)OC1=O ZINC000072434646 277201166 /nfs/dbraw/zinc/20/11/66/277201166.db2.gz BTQKYRZGWWQTJZ-QGZVFWFLSA-N 1 1 331.803 3.309 50 0 EGAAMO COc1c(C[NH2+][C@H]2CCOc3c(F)cccc32)c(C(C)C)nn1C ZINC000065474747 277788276 /nfs/dbraw/zinc/78/82/76/277788276.db2.gz QVSBXCKRTBPJKX-HNNXBMFYSA-N 1 1 333.407 3.305 50 0 EGAAMO COc1ccc2ccccc2c1[C@@H]1C[C@H]2CN(C)C(=O)[C@]23CCC[N@@H+]13 ZINC000012584503 278000915 /nfs/dbraw/zinc/00/09/15/278000915.db2.gz QHBCKVOHGMKIIN-WJPUGNRLSA-N 1 1 336.435 3.216 50 0 EGAAMO CC1(C)CNC(=O)c2[nH]c(C[C@H]3CCCC[N@H+]3C3CCCC3)nc2C1 ZINC000095353905 278349915 /nfs/dbraw/zinc/34/99/15/278349915.db2.gz PPKPUOFWNVBAFZ-OAHLLOKOSA-N 1 1 344.503 3.061 50 0 EGAAMO CCc1nnc(NC(=O)CC[N@H+]2CCC[C@H]2c2ccccc2)s1 ZINC000244898983 455276274 /nfs/dbraw/zinc/27/62/74/455276274.db2.gz ZEYRVPNELZSVPO-AWEZNQCLSA-N 1 1 330.457 3.266 50 0 EGAAMO O=C(Nc1ccc(F)cc1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000000146033 452521290 /nfs/dbraw/zinc/52/12/90/452521290.db2.gz QWUOUBAVIZDGOM-UHFFFAOYSA-N 1 1 327.403 3.218 50 0 EGAAMO COc1cccc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](C)C4)c1 ZINC000001299288 452651047 /nfs/dbraw/zinc/65/10/47/452651047.db2.gz ZYKHCKHCBKLAPL-HNNXBMFYSA-N 1 1 329.425 3.174 50 0 EGAAMO COc1cccc([C@@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](C)C4)c1 ZINC000001299288 452651052 /nfs/dbraw/zinc/65/10/52/452651052.db2.gz ZYKHCKHCBKLAPL-HNNXBMFYSA-N 1 1 329.425 3.174 50 0 EGAAMO COC(=O)c1[nH]c2cccc(C)c2c1NC(=O)C[N@H+]1CCCC[C@H]1C ZINC000005500660 452878091 /nfs/dbraw/zinc/87/80/91/452878091.db2.gz BHMIVOBPVFXZPQ-CYBMUJFWSA-N 1 1 343.427 3.076 50 0 EGAAMO Cc1[nH+]ccn1CCc1nc2cc(NC(=O)CC(C)C)ccc2n1C ZINC000006665418 452966969 /nfs/dbraw/zinc/96/69/69/452966969.db2.gz CMSRXUTVPHRMJA-UHFFFAOYSA-N 1 1 339.443 3.306 50 0 EGAAMO CC(=O)CCC(=O)N(C)C[C@H]1CCC[N@@H+](CCc2ccccc2C)C1 ZINC000012572891 453376203 /nfs/dbraw/zinc/37/62/03/453376203.db2.gz PJAGYRPZIMUDAJ-LJQANCHMSA-N 1 1 344.499 3.077 50 0 EGAAMO O=C(Nc1cccc(-n2cccn2)c1)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000012588543 453377957 /nfs/dbraw/zinc/37/79/57/453377957.db2.gz ZWIFICYHQZLTJQ-HXUWFJFHSA-N 1 1 346.434 3.475 50 0 EGAAMO COCC[C@@H]1CCCC[N@H+]1Cc1nc(-c2ccc(OC)cc2)no1 ZINC000012592972 453379022 /nfs/dbraw/zinc/37/90/22/453379022.db2.gz UXBMWTXZQWCDBI-HNNXBMFYSA-N 1 1 331.416 3.136 50 0 EGAAMO C[C@@H]1C[C@](O)(CC(O)(c2ccccc2)c2ccccc2)[C@@H](C)C[N@H+]1C ZINC000013122908 453447392 /nfs/dbraw/zinc/44/73/92/453447392.db2.gz RICXMDIFJNHTOE-UEXGIBASSA-N 1 1 339.479 3.404 50 0 EGAAMO C[C@@H]1C[N@@H+](C2CCN(C(=O)c3cccc(Cl)c3)CC2)C[C@H](C)O1 ZINC000013143360 453450176 /nfs/dbraw/zinc/45/01/76/453450176.db2.gz LOOLKABXCMMKJI-OKILXGFUSA-N 1 1 336.863 3.054 50 0 EGAAMO O=C(CC[C@@H]1CCC[N@@H+](Cc2cccc3c2OCO3)C1)N1CCCC1 ZINC000014953711 453549621 /nfs/dbraw/zinc/54/96/21/453549621.db2.gz JYCYIRIQAVIXMQ-INIZCTEOSA-N 1 1 344.455 3.030 50 0 EGAAMO O=C(c1ccccc1Cl)N1CC[NH+](CCc2ccccc2)CC1 ZINC000016605703 453615841 /nfs/dbraw/zinc/61/58/41/453615841.db2.gz KPRKRLRAMFUCQX-UHFFFAOYSA-N 1 1 328.843 3.341 50 0 EGAAMO Fc1ccccc1N1CCN([C@@H]2CCC[N@@H+](Cc3ccoc3)C2)CC1 ZINC000020912181 453669607 /nfs/dbraw/zinc/66/96/07/453669607.db2.gz MJKYFBBWCAHWMD-GOSISDBHSA-N 1 1 343.446 3.205 50 0 EGAAMO COc1ccc(C(=O)c2ccccc2C[NH+]2CCSCC2)cc1 ZINC000085651631 454035658 /nfs/dbraw/zinc/03/56/58/454035658.db2.gz FMEWLPRJZIBLSX-UHFFFAOYSA-N 1 1 327.449 3.475 50 0 EGAAMO C[NH+]1CCN(Cc2cccc(C(=O)c3ccccc3Cl)c2)CC1 ZINC000043211357 454048453 /nfs/dbraw/zinc/04/84/53/454048453.db2.gz WWYCESLMSMJWHR-UHFFFAOYSA-N 1 1 328.843 3.318 50 0 EGAAMO CC[N@H+](Cc1cccc(-c2ccc(C)o2)c1)[C@H]1CCS(=O)(=O)C1 ZINC000077453235 454107896 /nfs/dbraw/zinc/10/78/96/454107896.db2.gz SKPQJBBMIFTFAQ-KRWDZBQOSA-N 1 1 333.453 3.264 50 0 EGAAMO CC[N@@H+](Cc1cccc(-c2ccc(C)o2)c1)[C@H]1CCS(=O)(=O)C1 ZINC000077453235 454107897 /nfs/dbraw/zinc/10/78/97/454107897.db2.gz SKPQJBBMIFTFAQ-KRWDZBQOSA-N 1 1 333.453 3.264 50 0 EGAAMO O=C(c1cccnc1)N1CCC[C@H]1[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000069619153 454125629 /nfs/dbraw/zinc/12/56/29/454125629.db2.gz QPYOWBBLJIDUDA-PMACEKPBSA-N 1 1 335.451 3.351 50 0 EGAAMO Cc1noc2ncnc(NCC[N@H+]3CC[C@H](c4ccccc4C)C3)c12 ZINC000095368658 454198664 /nfs/dbraw/zinc/19/86/64/454198664.db2.gz VGDFRHCHWJWULS-HNNXBMFYSA-N 1 1 337.427 3.136 50 0 EGAAMO Cn1ccnc1-c1nccn1CC[N@H+]1CCC[C@H](c2ccccc2)C1 ZINC000071736470 454211543 /nfs/dbraw/zinc/21/15/43/454211543.db2.gz ORVAPXXFSSQKBD-SFHVURJKSA-N 1 1 335.455 3.163 50 0 EGAAMO CC(C)c1nccc(C(=O)N2CCC[N@@H+](CC3CC3)[C@H](C(C)C)C2)n1 ZINC000071760857 454215727 /nfs/dbraw/zinc/21/57/27/454215727.db2.gz ILBRBNOUXYEQPB-SFHVURJKSA-N 1 1 344.503 3.183 50 0 EGAAMO C[N@@H+](CCO)CCC(=O)N1c2ccccc2Sc2ccccc21 ZINC000071770712 454217061 /nfs/dbraw/zinc/21/70/61/454217061.db2.gz SZTNPZKCGBLYAE-UHFFFAOYSA-N 1 1 328.437 3.130 50 0 EGAAMO CC(C)c1cc(C(=O)N2CCC[N@@H+](CC3CC3)[C@@H](C(C)C)C2)[nH]n1 ZINC000071765331 454217292 /nfs/dbraw/zinc/21/72/92/454217292.db2.gz TXSJTESMJSEKBN-GOSISDBHSA-N 1 1 332.492 3.116 50 0 EGAAMO CC(C)c1cc(C(=O)N2CCC[N@H+](CC3CC3)[C@@H](C(C)C)C2)n[nH]1 ZINC000071765331 454217296 /nfs/dbraw/zinc/21/72/96/454217296.db2.gz TXSJTESMJSEKBN-GOSISDBHSA-N 1 1 332.492 3.116 50 0 EGAAMO CC(C)c1cc(C(=O)N2CCC[N@@H+](CC3CC3)[C@@H](C(C)C)C2)n[nH]1 ZINC000071765331 454217298 /nfs/dbraw/zinc/21/72/98/454217298.db2.gz TXSJTESMJSEKBN-GOSISDBHSA-N 1 1 332.492 3.116 50 0 EGAAMO COc1nccnc1N1CCC(c2[nH+]ccn2Cc2ccccc2)CC1 ZINC000095526036 454227234 /nfs/dbraw/zinc/22/72/34/454227234.db2.gz PMOGTZGTBRYSJC-UHFFFAOYSA-N 1 1 349.438 3.114 50 0 EGAAMO C[N@@H+]1CCN(C(=O)c2ccc(N3CCCC3)cc2)C[C@H]1c1ccccc1 ZINC000062317197 454373807 /nfs/dbraw/zinc/37/38/07/454373807.db2.gz NZCJQWDJCCZLOD-NRFANRHFSA-N 1 1 349.478 3.416 50 0 EGAAMO C[N@H+]1CCN(C(=O)c2ccc(N3CCCC3)cc2)C[C@H]1c1ccccc1 ZINC000062317197 454373815 /nfs/dbraw/zinc/37/38/15/454373815.db2.gz NZCJQWDJCCZLOD-NRFANRHFSA-N 1 1 349.478 3.416 50 0 EGAAMO CN(Cc1cccc2ncccc12)C[C@]1(O)CCC[N@@H+]2CCCC[C@@H]21 ZINC000063834253 454452865 /nfs/dbraw/zinc/45/28/65/454452865.db2.gz DMBXSKRBSFTTHB-NHCUHLMSSA-N 1 1 339.483 3.046 50 0 EGAAMO CN(Cc1cccc2ncccc12)C[C@]1(O)CCC[N@H+]2CCCC[C@@H]21 ZINC000063834253 454452871 /nfs/dbraw/zinc/45/28/71/454452871.db2.gz DMBXSKRBSFTTHB-NHCUHLMSSA-N 1 1 339.483 3.046 50 0 EGAAMO C[N@H+](Cc1cccc2ncccc12)C[C@]1(O)CCCN2CCCC[C@@H]21 ZINC000063834253 454452874 /nfs/dbraw/zinc/45/28/74/454452874.db2.gz DMBXSKRBSFTTHB-NHCUHLMSSA-N 1 1 339.483 3.046 50 0 EGAAMO C[N@@H+](Cc1cccc2ncccc12)C[C@]1(O)CCCN2CCCC[C@@H]21 ZINC000063834253 454452878 /nfs/dbraw/zinc/45/28/78/454452878.db2.gz DMBXSKRBSFTTHB-NHCUHLMSSA-N 1 1 339.483 3.046 50 0 EGAAMO OCCCCCCN1C[C@H]2CC[C@@H]1C[N@@H+](Cc1ccc(F)cc1)C2 ZINC000091792728 454471912 /nfs/dbraw/zinc/47/19/12/454471912.db2.gz QLIITKBCFVUSQD-AZUAARDMSA-N 1 1 334.479 3.275 50 0 EGAAMO OCCCCCC[N@@H+]1C[C@H]2CC[C@@H]1CN(Cc1ccc(F)cc1)C2 ZINC000091792728 454471918 /nfs/dbraw/zinc/47/19/18/454471918.db2.gz QLIITKBCFVUSQD-AZUAARDMSA-N 1 1 334.479 3.275 50 0 EGAAMO OCCCCCC[N@H+]1C[C@H]2CC[C@@H]1CN(Cc1ccc(F)cc1)C2 ZINC000091792728 454471921 /nfs/dbraw/zinc/47/19/21/454471921.db2.gz QLIITKBCFVUSQD-AZUAARDMSA-N 1 1 334.479 3.275 50 0 EGAAMO OCc1ccc(C[C@@H]2CC[N@@H+](Cc3ccc4nsnc4c3)C2)cc1 ZINC000092022117 454503397 /nfs/dbraw/zinc/50/33/97/454503397.db2.gz XRQUNRIDRKYKDG-KRWDZBQOSA-N 1 1 339.464 3.248 50 0 EGAAMO O=C(NCC1=CCC[N@H+]([C@H]2C=CCCC2)C1)c1ccnc(Cl)c1 ZINC000065387485 454557074 /nfs/dbraw/zinc/55/70/74/454557074.db2.gz LHUVWGQDBDHUFW-INIZCTEOSA-N 1 1 331.847 3.206 50 0 EGAAMO CC(C)c1noc([C@@H](C)[NH2+]C2CCN(C(=O)c3ccccc3)CC2)n1 ZINC000065494642 454577522 /nfs/dbraw/zinc/57/75/22/454577522.db2.gz TVIKEENNRFJLAC-CQSZACIVSA-N 1 1 342.443 3.148 50 0 EGAAMO Cc1cccc([C@@H](C(=O)NCc2cc(-c3ccco3)on2)[NH+](C)C)c1 ZINC000065531104 454585199 /nfs/dbraw/zinc/58/51/99/454585199.db2.gz VLVHLNLEGXYSQQ-SFHVURJKSA-N 1 1 339.395 3.162 50 0 EGAAMO O=C(NC[C@H](c1ccsc1)[NH+]1CCC1)C1(c2ccc(F)cc2)CC1 ZINC000252549100 455821982 /nfs/dbraw/zinc/82/19/82/455821982.db2.gz QURNNCLHXINIIW-QGZVFWFLSA-N 1 1 344.455 3.482 50 0 EGAAMO Cc1cc(C(=O)N2C[C@H]3CC[C@@H]2C[N@@H+](C)C3)c2cc(Cl)ccc2n1 ZINC000216243612 456029966 /nfs/dbraw/zinc/02/99/66/456029966.db2.gz FJJDIIHIENYAJK-DZGCQCFKSA-N 1 1 343.858 3.363 50 0 EGAAMO C[N@H+](CC(=O)[O-])[C@H]1CCC[NH+]([C@H]2CCc3c2cccc3Cl)CC1 ZINC000263574763 456173906 /nfs/dbraw/zinc/17/39/06/456173906.db2.gz NXMQOLPHYWKHMD-GUYCJALGSA-N 1 1 336.863 3.198 50 0 EGAAMO C[N@@H+](CC(=O)[O-])[C@H]1CCC[NH+]([C@H]2CCc3c2cccc3Cl)CC1 ZINC000263574763 456173908 /nfs/dbraw/zinc/17/39/08/456173908.db2.gz NXMQOLPHYWKHMD-GUYCJALGSA-N 1 1 336.863 3.198 50 0 EGAAMO C[NH+](CC(=O)[O-])[C@H]1CCC[N@@H+]([C@H]2CCc3c2cccc3Cl)CC1 ZINC000263574763 456173911 /nfs/dbraw/zinc/17/39/11/456173911.db2.gz NXMQOLPHYWKHMD-GUYCJALGSA-N 1 1 336.863 3.198 50 0 EGAAMO C[NH+](CC(=O)[O-])[C@H]1CCC[N@H+]([C@H]2CCc3c2cccc3Cl)CC1 ZINC000263574763 456173914 /nfs/dbraw/zinc/17/39/14/456173914.db2.gz NXMQOLPHYWKHMD-GUYCJALGSA-N 1 1 336.863 3.198 50 0 EGAAMO CO[C@H]1CC[C@@]2(OC)CC[N@@H+](Cc3cnn(-c4ccccc4)c3)[C@H]2C1 ZINC000426361963 457812678 /nfs/dbraw/zinc/81/26/78/457812678.db2.gz PPWWWFPCYLDCRH-SLFFLAALSA-N 1 1 341.455 3.031 50 0 EGAAMO CSCCCNC(=O)N1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000426478639 457838938 /nfs/dbraw/zinc/83/89/38/457838938.db2.gz AQKSYASXCACEGR-UHFFFAOYSA-N 1 1 335.517 3.046 50 0 EGAAMO CO[C@]12CC[N@@H+](Cc3cccc(C)n3)[C@H]1C[C@H](OCC1CC1)CC2 ZINC000426596652 457860535 /nfs/dbraw/zinc/86/05/35/457860535.db2.gz STAJAFHCTDJGTM-HSALFYBXSA-N 1 1 330.472 3.329 50 0 EGAAMO Cc1cc(C[C@@H](C)NC(=O)c2ccc(-c3ccc(C)[nH+]c3N)cc2)[nH]n1 ZINC000426690359 457878754 /nfs/dbraw/zinc/87/87/54/457878754.db2.gz VIGZCLFYUGZBGA-CYBMUJFWSA-N 1 1 349.438 3.032 50 0 EGAAMO CC(C)(C)[N@H+]1CC[C@H](CNC(=O)N(Cc2ccc(O)cc2)C2CC2)C1 ZINC000584892959 459819515 /nfs/dbraw/zinc/81/95/15/459819515.db2.gz ISMJNTVBFOIETE-MRXNPFEDSA-N 1 1 345.487 3.187 50 0 EGAAMO Cc1[nH+]ccn1C[C@H]1CCCN(C(=O)c2cccc3c2NCCC3)C1 ZINC000584903942 459821605 /nfs/dbraw/zinc/82/16/05/459821605.db2.gz PXNYVURLUHFPAJ-MRXNPFEDSA-N 1 1 338.455 3.102 50 0 EGAAMO CC[N@H+]1C[C@H](NC(=O)Nc2ccc(Cl)c3ccccc23)[C@@H](OC)C1 ZINC000299764246 521729814 /nfs/dbraw/zinc/72/98/14/521729814.db2.gz SHABTWROTMBTOX-IRXDYDNUSA-N 1 1 347.846 3.334 50 0 EGAAMO O=C(CC[N@H+]1CCCC[C@H]1CCc1ccccn1)Nc1cccnc1 ZINC000244811491 526484447 /nfs/dbraw/zinc/48/44/47/526484447.db2.gz SDSKRQVXGIWMOQ-IBGZPJMESA-N 1 1 338.455 3.293 50 0 EGAAMO CO[C@H]1CC[N@H+](Cc2cc(Cl)ccc2OCCCn2ccnc2)C1 ZINC000216329004 536750606 /nfs/dbraw/zinc/75/06/06/536750606.db2.gz ZENVUPGPASKPHD-KRWDZBQOSA-N 1 1 349.862 3.226 50 0 EGAAMO CO[C@H]1CC[N@@H+](Cc2cc(Cl)ccc2OCCCn2ccnc2)C1 ZINC000216329004 536750611 /nfs/dbraw/zinc/75/06/11/536750611.db2.gz ZENVUPGPASKPHD-KRWDZBQOSA-N 1 1 349.862 3.226 50 0 EGAAMO CCCNc1ccc(C(=O)N2CCC[N@H+](C3CCCCC3)CC2)cn1 ZINC000019147052 1291191974 /nfs/dbraw/zinc/19/19/74/1291191974.db2.gz SALLJWVKOWLYSE-UHFFFAOYSA-N 1 1 344.503 3.384 50 0 EGAAMO CC[N@@H+](Cc1ccncc1)[C@H]1CCCN(Cc2nc3ccccc3[nH]2)C1 ZINC000022910551 1291227812 /nfs/dbraw/zinc/22/78/12/1291227812.db2.gz ITNQRXYRPNWQJM-SFHVURJKSA-N 1 1 349.482 3.444 50 0 EGAAMO CC(C)c1[nH+]ccn1CCCNC(=O)c1ccc2ncsc2c1 ZINC000828169892 1292438609 /nfs/dbraw/zinc/43/86/09/1292438609.db2.gz HJYIZSNCHGAHJT-UHFFFAOYSA-N 1 1 328.441 3.436 50 0 EGAAMO CCn1cc(C[N@H+]2CCC[C@]3(CCC(=O)N(CCC(C)C)C3)C2)cn1 ZINC000082157222 1292678194 /nfs/dbraw/zinc/67/81/94/1292678194.db2.gz OQCOAUUBUHIASR-FQEVSTJZSA-N 1 1 346.519 3.154 50 0 EGAAMO COc1ccc(Cc2n[nH]c(C3CC[NH+](C(C)C)CC3)n2)cc1OC ZINC000824603768 1320270172 /nfs/dbraw/zinc/27/01/72/1320270172.db2.gz GZMMQMIGFVRKJV-UHFFFAOYSA-N 1 1 344.459 3.001 50 0 EGAAMO COc1ccc(Cc2nc(C3CC[NH+](C(C)C)CC3)n[nH]2)cc1OC ZINC000824603768 1320270175 /nfs/dbraw/zinc/27/01/75/1320270175.db2.gz GZMMQMIGFVRKJV-UHFFFAOYSA-N 1 1 344.459 3.001 50 0 EGAAMO CC[C@H](C(=O)N1CCN(c2cc(Cl)ccc2C)CC1)[N@@H+](C)CC ZINC000822549844 1320096875 /nfs/dbraw/zinc/09/68/75/1320096875.db2.gz GBPIPJDDGATMGG-MRXNPFEDSA-N 1 1 337.895 3.027 50 0 EGAAMO CCc1[nH+]ccn1CCC(=O)NCc1ccccc1C(F)(F)F ZINC000823557339 1320186806 /nfs/dbraw/zinc/18/68/06/1320186806.db2.gz MVKSOKAYARKEBZ-UHFFFAOYSA-N 1 1 325.334 3.171 50 0 EGAAMO C[C@H](CC(=O)Nc1ccccc1NC(=O)C[NH+](C)C)c1ccccc1 ZINC000952967600 1334626895 /nfs/dbraw/zinc/62/68/95/1334626895.db2.gz BWVGILBFPNXHAA-OAHLLOKOSA-N 1 1 339.439 3.319 50 0 EGAAMO Cc1ccc(NC(=O)C2CCCCCC2)cc1NC(=O)C[NH+](C)C ZINC000952983557 1334629742 /nfs/dbraw/zinc/62/97/42/1334629742.db2.gz UZELZZISLWXKEJ-UHFFFAOYSA-N 1 1 331.460 3.404 50 0 EGAAMO CN1C[C@@H]2C[C@H]([N@@H+](C)CCCCOc3ccccc3)C[C@@H]2CC1=O ZINC001704300009 1416432774 /nfs/dbraw/zinc/43/27/74/1416432774.db2.gz UIQDYUURMUJATK-FGTMMUONSA-N 1 1 330.472 3.034 50 0 EGAAMO Cc1c2ccccc2oc1CNc1nc(N2CCC[C@H](O)C2)cc[nH+]1 ZINC001704297243 1416433024 /nfs/dbraw/zinc/43/30/24/1416433024.db2.gz UDBJQQCIARXYEL-AWEZNQCLSA-N 1 1 338.411 3.104 50 0 EGAAMO CC(=O)c1cc(C[NH+]2CCC3(CC2)OCCc2sccc23)n(C)c1 ZINC001704343437 1416449793 /nfs/dbraw/zinc/44/97/93/1416449793.db2.gz HKJDJGFFASGISU-UHFFFAOYSA-N 1 1 344.480 3.353 50 0 EGAAMO Cc1ccc(NC(=O)C[N@H+]2CCCC[C@@H]2CCc2ccccn2)nc1 ZINC001704357667 1416455207 /nfs/dbraw/zinc/45/52/07/1416455207.db2.gz VMSSULLIASHMEH-GOSISDBHSA-N 1 1 338.455 3.211 50 0 EGAAMO Cc1cccc(CCN2C[C@@H]3C[NH2+]C[C@]3(CCc3ccccc3)C2)n1 ZINC001772809997 1441417596 /nfs/dbraw/zinc/41/75/96/1441417596.db2.gz BTVDPPGQXRQPNI-RBBKRZOGSA-N 1 1 335.495 3.087 50 0 EGAAMO COc1ccc(C2(CNC(=O)[C@H]3CCCC[N@H+]3C)CCCC2)cc1 ZINC000097637949 219043597 /nfs/dbraw/zinc/04/35/97/219043597.db2.gz GBIIHAUTPPFLDL-GOSISDBHSA-N 1 1 330.472 3.108 50 0 EGAAMO Cc1nc2ccc(NC(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)cc2[nH]1 ZINC000097675417 219046931 /nfs/dbraw/zinc/04/69/31/219046931.db2.gz MQUJCRIRQGATIO-UHFFFAOYSA-N 1 1 329.448 3.302 50 0 EGAAMO Cn1c(C(=O)N2CC[N@@H+]3CCCC[C@@H]3C2)cc2cccc(Cl)c21 ZINC000097745036 219053449 /nfs/dbraw/zinc/05/34/49/219053449.db2.gz AXNUBWJBYMSYIE-CQSZACIVSA-N 1 1 331.847 3.142 50 0 EGAAMO Cn1c(C(=O)N2CC[N@H+]3CCCC[C@@H]3C2)cc2cccc(Cl)c21 ZINC000097745036 219053452 /nfs/dbraw/zinc/05/34/52/219053452.db2.gz AXNUBWJBYMSYIE-CQSZACIVSA-N 1 1 331.847 3.142 50 0 EGAAMO Cc1cc(C)n(CC2(C[NH2+]C[C@@H]3CCCN4CCCC[C@H]34)CC2)n1 ZINC000055073205 214269345 /nfs/dbraw/zinc/26/93/45/214269345.db2.gz SCJNPZRMYBFYPP-RBUKOAKNSA-N 1 1 330.520 3.134 50 0 EGAAMO Cc1cc(C)cc(OCCN(C)C(=O)CC[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000055199805 214289029 /nfs/dbraw/zinc/28/90/29/214289029.db2.gz MYMOAANALATYKX-SFHVURJKSA-N 1 1 332.488 3.263 50 0 EGAAMO CCOC(=O)[C@H]1CCC[N@@H+](Cc2c[nH]nc2-c2ccc(C)cc2)C1 ZINC000004678827 210245068 /nfs/dbraw/zinc/24/50/68/210245068.db2.gz VHLXMBFXHRYRPJ-INIZCTEOSA-N 1 1 327.428 3.160 50 0 EGAAMO CCC(=O)N(Cc1ccc(OC)c(OC)c1)[C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000004188092 210142292 /nfs/dbraw/zinc/14/22/92/210142292.db2.gz PLOYJZJBKMLKKY-YQQAZPJKSA-N 1 1 348.487 3.171 50 0 EGAAMO O=C(NC12CC3CC(CC(C3)C1)C2)[C@H]1[C@@H]2C[N@H+](Cc3ccoc3)C[C@@H]21 ZINC000102809226 219231680 /nfs/dbraw/zinc/23/16/80/219231680.db2.gz AQPJPKXRZMKLHG-UUXOXCDMSA-N 1 1 340.467 3.042 50 0 EGAAMO Cc1noc(C)c1[C@@H]1CCC[N@H+]1CCn1c2ccccc2oc1=O ZINC000067674424 215178947 /nfs/dbraw/zinc/17/89/47/215178947.db2.gz PSNJJAMXUMRGCU-HNNXBMFYSA-N 1 1 327.384 3.036 50 0 EGAAMO CC[C@@H](O)C[N@@H+]1CCOc2c(O)cc(-c3ccc(C)s3)cc2C1 ZINC000067688695 215184503 /nfs/dbraw/zinc/18/45/03/215184503.db2.gz CPNZBSJARGQDDD-OAHLLOKOSA-N 1 1 333.453 3.394 50 0 EGAAMO CC[C@@H](O)C[N@H+]1CCOc2c(O)cc(-c3ccc(C)s3)cc2C1 ZINC000067688695 215184507 /nfs/dbraw/zinc/18/45/07/215184507.db2.gz CPNZBSJARGQDDD-OAHLLOKOSA-N 1 1 333.453 3.394 50 0 EGAAMO CN1CCN(CC[C@@H]2CCCC[N@@H+]2Cc2cc3ccccc3o2)CC1 ZINC000067689186 215185861 /nfs/dbraw/zinc/18/58/61/215185861.db2.gz XYBSADBBVGAJNO-IBGZPJMESA-N 1 1 341.499 3.425 50 0 EGAAMO CN1CCN(CC[C@@H]2CCCC[N@H+]2Cc2cc3ccccc3o2)CC1 ZINC000067689186 215185864 /nfs/dbraw/zinc/18/58/64/215185864.db2.gz XYBSADBBVGAJNO-IBGZPJMESA-N 1 1 341.499 3.425 50 0 EGAAMO O=C(NC[C@@H]1CC[N@@H+](Cc2ccsc2)C1)c1onc2ccccc21 ZINC000067726458 215195571 /nfs/dbraw/zinc/19/55/71/215195571.db2.gz LNQAFJFFIISBET-ZDUSSCGKSA-N 1 1 341.436 3.141 50 0 EGAAMO COc1ccc2[nH]c(CNC(=O)[C@@H](C)n3cc[nH+]c3C(C)C)cc2c1 ZINC000067818147 215220489 /nfs/dbraw/zinc/22/04/89/215220489.db2.gz RVTPFLJWOSNVRG-CYBMUJFWSA-N 1 1 340.427 3.374 50 0 EGAAMO CSc1ccc2cc(C[N@@H+](C)[C@@H](C)c3ccncn3)c(=O)[nH]c2c1 ZINC000067884470 215241081 /nfs/dbraw/zinc/24/10/81/215241081.db2.gz FQJKOOHVKPEPQP-LBPRGKRZSA-N 1 1 340.452 3.233 50 0 EGAAMO Cc1ccccc1C[N@H+]1CCN(Cc2ccc(F)cc2)[C@H](CCO)C1 ZINC000039442533 213236270 /nfs/dbraw/zinc/23/62/70/213236270.db2.gz RVRWMNUJKOHVTJ-OAQYLSRUSA-N 1 1 342.458 3.203 50 0 EGAAMO CC[C@H](C)CC(=O)NCC[N@H+]1Cc2cc(OC)ccc2O[C@@H](CC)C1 ZINC000039356433 213234399 /nfs/dbraw/zinc/23/43/99/213234399.db2.gz FANRPCSHUCQHGO-RDJZCZTQSA-N 1 1 348.487 3.221 50 0 EGAAMO CC[C@H](C)CC(=O)NCC[N@@H+]1Cc2cc(OC)ccc2O[C@@H](CC)C1 ZINC000039356433 213234404 /nfs/dbraw/zinc/23/44/04/213234404.db2.gz FANRPCSHUCQHGO-RDJZCZTQSA-N 1 1 348.487 3.221 50 0 EGAAMO CN1CC[C@@]2(CC[N@@H+]3CCc4c5ccccc5oc4[C@@H]3C2)N(C)C1=O ZINC000004475283 283107628 /nfs/dbraw/zinc/10/76/28/283107628.db2.gz JRDUBBHIPPPSLP-JXFKEZNVSA-N 1 1 339.439 3.252 50 0 EGAAMO CN1CC[C@@]2(CC[N@H+]3CCc4c5ccccc5oc4[C@@H]3C2)N(C)C1=O ZINC000004475283 283107630 /nfs/dbraw/zinc/10/76/30/283107630.db2.gz JRDUBBHIPPPSLP-JXFKEZNVSA-N 1 1 339.439 3.252 50 0 EGAAMO CNS(=O)(=O)c1ccc(C[N@@H+]2CCC[C@@H]2c2ccc(F)cc2)cc1 ZINC000072141936 216027007 /nfs/dbraw/zinc/02/70/07/216027007.db2.gz FKVJUHBNFMYMJQ-GOSISDBHSA-N 1 1 348.443 3.071 50 0 EGAAMO CNS(=O)(=O)c1ccc(C[N@H+]2CCC[C@@H]2c2ccc(F)cc2)cc1 ZINC000072141936 216027011 /nfs/dbraw/zinc/02/70/11/216027011.db2.gz FKVJUHBNFMYMJQ-GOSISDBHSA-N 1 1 348.443 3.071 50 0 EGAAMO OC[C@@]1(O)CCC[N@@H+](Cc2sc3ccccc3c2Cl)CC1 ZINC000072137100 216024492 /nfs/dbraw/zinc/02/44/92/216024492.db2.gz JUGVZOCFBIMIGH-MRXNPFEDSA-N 1 1 325.861 3.264 50 0 EGAAMO COc1ccc2c(c1)[nH]nc2CN1CCC(C2CC[NH+](C)CC2)CC1 ZINC000072154045 216044269 /nfs/dbraw/zinc/04/42/69/216044269.db2.gz ISJBMDHGIUTOBD-UHFFFAOYSA-N 1 1 342.487 3.125 50 0 EGAAMO Cc1nc[nH]c1C[N@H+]1C[C@@H](c2ccc(C)cc2)[C@@H]2[C@H]1C1CCN2CC1 ZINC000072157418 216047269 /nfs/dbraw/zinc/04/72/69/216047269.db2.gz DEYGMLJASBMKNA-CEWLAPEOSA-N 1 1 336.483 3.089 50 0 EGAAMO Cc1nc[nH]c1CN1C[C@@H](c2ccc(C)cc2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000072157418 216047272 /nfs/dbraw/zinc/04/72/72/216047272.db2.gz DEYGMLJASBMKNA-CEWLAPEOSA-N 1 1 336.483 3.089 50 0 EGAAMO Cc1nnnn1CCC[N@H+]1CCC[C@H](CCc2ccccc2C)C1 ZINC000072156816 216047448 /nfs/dbraw/zinc/04/74/48/216047448.db2.gz GLKKZHQNJWLZJR-GOSISDBHSA-N 1 1 327.476 3.025 50 0 EGAAMO COc1cccc(CC[C@@H]2CCC[N@@H+](CCC(=O)NC(C)C)C2)c1 ZINC000072166416 216056369 /nfs/dbraw/zinc/05/63/69/216056369.db2.gz SGUPFTSUGOYIIF-SFHVURJKSA-N 1 1 332.488 3.255 50 0 EGAAMO Fc1ccc(C[N@H+]2CCC[C@@]3(CCN(c4cnccn4)C3)C2)cc1 ZINC000072411714 216203898 /nfs/dbraw/zinc/20/38/98/216203898.db2.gz CSCLMGAWNAHCKI-LJQANCHMSA-N 1 1 326.419 3.108 50 0 EGAAMO OC[C@@]1(O)CCCN(c2cc(-c3ccccc3)[nH+]c3ccccc32)C1 ZINC000072419003 216207662 /nfs/dbraw/zinc/20/76/62/216207662.db2.gz LFVDHMLUDURQJU-OAQYLSRUSA-N 1 1 334.419 3.225 50 0 EGAAMO Cc1ccc([C@H](C)CC[NH+]2CCC(C(=O)[O-])(n3cc[nH+]c3C)CC2)o1 ZINC000072422341 216211440 /nfs/dbraw/zinc/21/14/40/216211440.db2.gz KIXGFPKBBZZYCC-CQSZACIVSA-N 1 1 345.443 3.162 50 0 EGAAMO CN(Cc1cc(-c2ccccc2)no1)C(=O)[C@@H]([NH3+])c1cccs1 ZINC000072422631 216211961 /nfs/dbraw/zinc/21/19/61/216211961.db2.gz SSPGHFLIYKCBFC-INIZCTEOSA-N 1 1 327.409 3.062 50 0 EGAAMO OCC[C@H]1C[N@@H+](CCCc2ccccc2)CCN1Cc1ccccc1 ZINC000022932931 212335668 /nfs/dbraw/zinc/33/56/68/212335668.db2.gz MYWSYHYVVOEAGJ-QFIPXVFZSA-N 1 1 338.495 3.188 50 0 EGAAMO OCC[C@H]1CN(CCCc2ccccc2)CC[N@@H+]1Cc1ccccc1 ZINC000022932931 212335669 /nfs/dbraw/zinc/33/56/69/212335669.db2.gz MYWSYHYVVOEAGJ-QFIPXVFZSA-N 1 1 338.495 3.188 50 0 EGAAMO OCC[C@H]1CN(CCCc2ccccc2)CC[N@H+]1Cc1ccccc1 ZINC000022932931 212335672 /nfs/dbraw/zinc/33/56/72/212335672.db2.gz MYWSYHYVVOEAGJ-QFIPXVFZSA-N 1 1 338.495 3.188 50 0 EGAAMO C[N@@H+](CC[C@@H](O)c1ccccc1)Cc1cnc(N2CCCCC2)nc1 ZINC000215048286 241102822 /nfs/dbraw/zinc/10/28/22/241102822.db2.gz CJLYHJXRVGNQQH-LJQANCHMSA-N 1 1 340.471 3.022 50 0 EGAAMO COCCc1noc([C@H]2CCC[N@@H+](Cc3cc4ccccc4o3)C2)n1 ZINC000215141547 241107761 /nfs/dbraw/zinc/10/77/61/241107761.db2.gz FUVFCTRLNRVATE-HNNXBMFYSA-N 1 1 341.411 3.384 50 0 EGAAMO COc1cccc([C@H]2CC[N@@H+]2Cc2cnc(-c3ccccn3)nc2)c1 ZINC000216071580 241163654 /nfs/dbraw/zinc/16/36/54/241163654.db2.gz MFQWTSGVPKLWKA-LJQANCHMSA-N 1 1 332.407 3.494 50 0 EGAAMO COc1cccc([C@H]2CC[N@H+]2Cc2cnc(-c3ccccn3)nc2)c1 ZINC000216071580 241163659 /nfs/dbraw/zinc/16/36/59/241163659.db2.gz MFQWTSGVPKLWKA-LJQANCHMSA-N 1 1 332.407 3.494 50 0 EGAAMO CCc1nccc(C[N@H+]2CCC[C@H](c3nc(-c4ccccc4)no3)C2)n1 ZINC000216301901 241180049 /nfs/dbraw/zinc/18/00/49/241180049.db2.gz YQKYAYPYQUTNMZ-INIZCTEOSA-N 1 1 349.438 3.469 50 0 EGAAMO O=C(c1ccc[nH]1)N1CC[NH+](Cc2cc3ccccc3s2)CC1 ZINC000215427962 241126303 /nfs/dbraw/zinc/12/63/03/241126303.db2.gz VXUFQIKYJDBNAJ-UHFFFAOYSA-N 1 1 325.437 3.187 50 0 EGAAMO O=C(c1ccccc1Cl)N1CCCC[C@@H]1CC[NH+]1CCOCC1 ZINC000020869015 212180191 /nfs/dbraw/zinc/18/01/91/212180191.db2.gz CVDRBVQCNWZOFS-OAHLLOKOSA-N 1 1 336.863 3.057 50 0 EGAAMO Cc1ncsc1CC[N@H+](C)Cc1cc(C(N)=O)oc1C(C)(C)C ZINC000244715768 243063249 /nfs/dbraw/zinc/06/32/49/243063249.db2.gz LBXFKCPMXWGZAU-UHFFFAOYSA-N 1 1 335.473 3.115 50 0 EGAAMO Cc1nc2ccc(CNc3cc([C@H]4C[C@H]([NH3+])C4)nc(C4CC4)n3)cc2[nH]1 ZINC000244874838 243095584 /nfs/dbraw/zinc/09/55/84/243095584.db2.gz XIBKVDPUHMXCLI-SHTZXODSSA-N 1 1 348.454 3.356 50 0 EGAAMO COc1ccc(C(=O)[C@H]2CCC[N@@H+](CCCSC)C2)c(OC)c1 ZINC000020600328 212151362 /nfs/dbraw/zinc/15/13/62/212151362.db2.gz LYKLNUCFHJCHIB-AWEZNQCLSA-N 1 1 337.485 3.352 50 0 EGAAMO OCC[C@@H]1CN(Cc2cccc(F)c2)CC[N@H+]1Cc1ccc(F)cc1 ZINC000020542477 212146052 /nfs/dbraw/zinc/14/60/52/212146052.db2.gz XXMHDYPCXLGBJI-HXUWFJFHSA-N 1 1 346.421 3.034 50 0 EGAAMO OCC[C@@H]1C[N@H+](Cc2cccc(F)c2)CCN1Cc1ccc(F)cc1 ZINC000020542477 212146056 /nfs/dbraw/zinc/14/60/56/212146056.db2.gz XXMHDYPCXLGBJI-HXUWFJFHSA-N 1 1 346.421 3.034 50 0 EGAAMO OCC[C@@H]1C[N@@H+](Cc2cccc(F)c2)CCN1Cc1ccc(F)cc1 ZINC000020542477 212146058 /nfs/dbraw/zinc/14/60/58/212146058.db2.gz XXMHDYPCXLGBJI-HXUWFJFHSA-N 1 1 346.421 3.034 50 0 EGAAMO CCC[NH+]1CCN(C(=O)[C@H](C)Oc2ccc3ccccc3c2)CC1 ZINC000020595098 212149703 /nfs/dbraw/zinc/14/97/03/212149703.db2.gz AUKXOYZMMQDDQQ-INIZCTEOSA-N 1 1 326.440 3.161 50 0 EGAAMO OCC[C@@H]1CN(Cc2cccc(F)c2)CC[N@@H+]1Cc1ccc(F)cc1 ZINC000020542477 212146049 /nfs/dbraw/zinc/14/60/49/212146049.db2.gz XXMHDYPCXLGBJI-HXUWFJFHSA-N 1 1 346.421 3.034 50 0 EGAAMO CC[C@@H](c1ccc(OC)cc1)[N@@H+](C)CC(=O)Nc1ccc(C)cn1 ZINC000252490633 243796449 /nfs/dbraw/zinc/79/64/49/243796449.db2.gz KYDGBCWJVHQMTM-KRWDZBQOSA-N 1 1 327.428 3.420 50 0 EGAAMO CC(C)(C)C[N@H+]1CCN(Cc2nc3ccccc3s2)C[C@@H]1CCO ZINC000020450342 212129881 /nfs/dbraw/zinc/12/98/81/212129881.db2.gz NKAJXOAPAOUTRG-HNNXBMFYSA-N 1 1 347.528 3.211 50 0 EGAAMO Cc1ccc(CN2CC[N@@H+](Cc3cc(C)ccc3C)C[C@@H]2CCO)o1 ZINC000019839783 212074405 /nfs/dbraw/zinc/07/44/05/212074405.db2.gz IDGYFQPHYOYAMP-FQEVSTJZSA-N 1 1 342.483 3.274 50 0 EGAAMO CCCCc1ccc2[nH]c(C)c(CN3CC[NH+](C)CC3)c(=O)c2c1 ZINC000019793311 212069035 /nfs/dbraw/zinc/06/90/35/212069035.db2.gz UIUGFIMBDFFHHP-UHFFFAOYSA-N 1 1 327.472 3.339 50 0 EGAAMO CCCCc1ccc2[nH]c(C)c(C[NH+]3CCN(C)CC3)c(=O)c2c1 ZINC000019793311 212069036 /nfs/dbraw/zinc/06/90/36/212069036.db2.gz UIUGFIMBDFFHHP-UHFFFAOYSA-N 1 1 327.472 3.339 50 0 EGAAMO C[N@H+](CCc1ccccc1)Cc1nc(Cc2ccccc2F)no1 ZINC000019781894 212065532 /nfs/dbraw/zinc/06/55/32/212065532.db2.gz ZEVJVDRYQMHFJS-UHFFFAOYSA-N 1 1 325.387 3.474 50 0 EGAAMO C[N@@H+](CCc1ccccc1)Cc1nc(Cc2ccccc2F)no1 ZINC000019781894 212065534 /nfs/dbraw/zinc/06/55/34/212065534.db2.gz ZEVJVDRYQMHFJS-UHFFFAOYSA-N 1 1 325.387 3.474 50 0 EGAAMO O=C(/C=C/c1ccncc1)N[C@@H]1CCC[N@@H+](CCCc2ccccc2)C1 ZINC000012448632 211386273 /nfs/dbraw/zinc/38/62/73/211386273.db2.gz TVJYKWVVQYAYGH-RQWLHQTBSA-N 1 1 349.478 3.308 50 0 EGAAMO O=C(CCc1cccnc1)N[C@@H]1CCC[N@H+](C2CCCCCC2)C1 ZINC000012434443 211380731 /nfs/dbraw/zinc/38/07/31/211380731.db2.gz BXBRWVKRNMTUPA-GOSISDBHSA-N 1 1 329.488 3.318 50 0 EGAAMO Cc1cccc(C[N@H+]2CCC[C@H](C(=O)c3ccc4c(c3)OCO4)C2)n1 ZINC000012317910 211344915 /nfs/dbraw/zinc/34/49/15/211344915.db2.gz UUDLWSQKIXCNPA-INIZCTEOSA-N 1 1 338.407 3.214 50 0 EGAAMO COc1cccc(C[N@@H+]2CCC(=O)N(Cc3ccccc3C)CC2)c1 ZINC000012182344 211311763 /nfs/dbraw/zinc/31/17/63/211311763.db2.gz YXUOZDDIRYHKRP-UHFFFAOYSA-N 1 1 338.451 3.238 50 0 EGAAMO Cc1c2cccc(C)c2n(C)c1C(=O)N1CC([N@@H+]2CCCC[C@@H]2C)C1 ZINC000091390992 218000393 /nfs/dbraw/zinc/00/03/93/218000393.db2.gz BLDFRJGEPZDAGC-HNNXBMFYSA-N 1 1 339.483 3.494 50 0 EGAAMO CCN1C[C@@H](C[N@@H+](C)Cc2nc(-c3cccc(C)c3)oc2C)CC1=O ZINC000011934596 211272064 /nfs/dbraw/zinc/27/20/64/211272064.db2.gz UZXAZLJRHNGUKI-MRXNPFEDSA-N 1 1 341.455 3.259 50 0 EGAAMO Cc1ccc(C[C@H](C)[N@@H+]2CCC(=O)N(Cc3ccncc3)CC2)cc1 ZINC000011910988 211267822 /nfs/dbraw/zinc/26/78/22/211267822.db2.gz CPVLWVXAKGRYJN-SFHVURJKSA-N 1 1 337.467 3.056 50 0 EGAAMO Cc1ncnc(N2CCC[C@@H](c3[nH+]ccn3Cc3cccnc3)C2)c1C ZINC000091643442 218037091 /nfs/dbraw/zinc/03/70/91/218037091.db2.gz SGKFLATUUHKTJS-GOSISDBHSA-N 1 1 348.454 3.117 50 0 EGAAMO FC(F)(F)c1ccnc(NCC[N@H+]2CC[C@H](c3ccccc3)C2)n1 ZINC000091644455 218037470 /nfs/dbraw/zinc/03/74/70/218037470.db2.gz FTBXJWKEGAUDPL-AWEZNQCLSA-N 1 1 336.361 3.397 50 0 EGAAMO CN(C[C@@H]1CCC[N@@H+](CCc2ccccc2F)C1)C(=O)c1ccoc1 ZINC000011769412 211246350 /nfs/dbraw/zinc/24/63/50/211246350.db2.gz UJCWGLZPNWKEKN-INIZCTEOSA-N 1 1 344.430 3.445 50 0 EGAAMO COc1cccc(CN2CCC[C@]3(CC[N@@H+](CC(C)C)C3)C2=O)c1 ZINC000011753650 211243644 /nfs/dbraw/zinc/24/36/44/211243644.db2.gz HIAIAZASIZJSFH-HXUWFJFHSA-N 1 1 330.472 3.166 50 0 EGAAMO COCC[C@]1(O)CC[N@@H+](Cc2cc(-c3ccc(C)cc3)no2)C[C@H]1C ZINC000091713508 218053344 /nfs/dbraw/zinc/05/33/44/218053344.db2.gz OBPWUWGKODZSME-OXQOHEQNSA-N 1 1 344.455 3.259 50 0 EGAAMO Cc1ncnc(N2CCC(c3[nH+]ccn3Cc3ccccn3)CC2)c1C ZINC000091793382 218067299 /nfs/dbraw/zinc/06/72/99/218067299.db2.gz QMVNXLPVIZPPJL-UHFFFAOYSA-N 1 1 348.454 3.117 50 0 EGAAMO CCOCCOc1cccc(C(=O)N2CC[N@@H+](C(C)C)[C@@H](CC)C2)c1 ZINC000091943962 218093624 /nfs/dbraw/zinc/09/36/24/218093624.db2.gz GNHKDAVCRSCFDY-SFHVURJKSA-N 1 1 348.487 3.047 50 0 EGAAMO Cc1nc(C2CC[NH+](Cc3c[nH]nc3-c3ccc(F)cc3)CC2)n[nH]1 ZINC000092736820 218163799 /nfs/dbraw/zinc/16/37/99/218163799.db2.gz SLUJUVKKSZHCRP-UHFFFAOYSA-N 1 1 340.406 3.022 50 0 EGAAMO Cc1nnc(C2CC[NH+](Cc3c[nH]nc3-c3ccc(F)cc3)CC2)[nH]1 ZINC000092736820 218163801 /nfs/dbraw/zinc/16/38/01/218163801.db2.gz SLUJUVKKSZHCRP-UHFFFAOYSA-N 1 1 340.406 3.022 50 0 EGAAMO C[C@@H]1C[N@@H+](C2CCN(c3nccc4ccccc43)CC2)C[C@H](C)O1 ZINC000095357954 218291971 /nfs/dbraw/zinc/29/19/71/218291971.db2.gz OXMKLMZEPITSJD-IYBDPMFKSA-N 1 1 325.456 3.313 50 0 EGAAMO O=C(CCOc1ccccc1)N1C[C@H]2CC[C@H](C[N@@H+]2CC2CCC2)C1 ZINC000095380078 218312459 /nfs/dbraw/zinc/31/24/59/218312459.db2.gz MEHIYSUWMSWVCA-RTBURBONSA-N 1 1 342.483 3.178 50 0 EGAAMO CC1CC[NH+]([C@@H]2CC(=O)N(c3ccc(Cl)c(Cl)c3)C2=O)CC1 ZINC000004957373 210339151 /nfs/dbraw/zinc/33/91/51/210339151.db2.gz JGXDNABVDRXJFG-CQSZACIVSA-N 1 1 341.238 3.357 50 0 EGAAMO O[C@@H]1C[C@H]2C[N@H+](Cc3ccc(-c4ccccc4F)cc3)C[C@H]2C[C@@H]1O ZINC000097604128 219040115 /nfs/dbraw/zinc/04/01/15/219040115.db2.gz OYJWHUZLLNJNLS-BTYSMDAFSA-N 1 1 341.426 3.056 50 0 EGAAMO O=C1CCCN1[C@H]1CCC[N@H+](Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000097568836 219035375 /nfs/dbraw/zinc/03/53/75/219035375.db2.gz ZYKVSKVVIFAAPK-AWEZNQCLSA-N 1 1 342.361 3.172 50 0 EGAAMO COc1ccc2[nH]c(C(=O)NC[C@H]3CCC[N@H+]4CCCC[C@@H]34)cc2c1 ZINC000504765601 257704039 /nfs/dbraw/zinc/70/40/39/257704039.db2.gz LGIFLRZBMIUGON-KUHUBIRLSA-N 1 1 341.455 3.171 50 0 EGAAMO CO[C@H]1C[N@H+](C(C)C)C[C@@H]1NC(=O)c1ccccc1-c1ccccc1 ZINC000299768388 258082951 /nfs/dbraw/zinc/08/29/51/258082951.db2.gz MZTMNWPIJUHWAY-PMACEKPBSA-N 1 1 338.451 3.191 50 0 EGAAMO Clc1cccc(N2CC[NH+](Cc3ccc4c(c3)OCO4)CC2)c1 ZINC000055543809 132196202 /nfs/dbraw/zinc/19/62/02/132196202.db2.gz UFLNRAWELXVGCI-UHFFFAOYSA-N 1 1 330.815 3.391 50 0 EGAAMO Cc1ccc(N2C(=O)[C@@H](C[NH+]3CCOCC3)[C@H]2c2ccccc2)cc1 ZINC000020389790 292127564 /nfs/dbraw/zinc/12/75/64/292127564.db2.gz XFGAVBLXVPVPTH-VQTJNVASSA-N 1 1 336.435 3.031 50 0 EGAAMO CC(C)c1nc(C[NH+]2CCC3(CC2)C(=O)Nc2ccccc23)co1 ZINC000215094935 273569627 /nfs/dbraw/zinc/56/96/27/273569627.db2.gz OYCLFNWVHQRHGM-UHFFFAOYSA-N 1 1 325.412 3.284 50 0 EGAAMO CSc1ccccc1C(=O)[C@H]1CCC[N@H+](C2CCN(C)CC2)C1 ZINC000019795005 274189132 /nfs/dbraw/zinc/18/91/32/274189132.db2.gz OXKWGNVKKKORPQ-HNNXBMFYSA-N 1 1 332.513 3.397 50 0 EGAAMO CSc1ccccc1C(=O)[C@H]1CCCN(C2CC[NH+](C)CC2)C1 ZINC000019795005 274189133 /nfs/dbraw/zinc/18/91/33/274189133.db2.gz OXKWGNVKKKORPQ-HNNXBMFYSA-N 1 1 332.513 3.397 50 0 EGAAMO c1nc2c([nH]1)[C@H](Cc1ccccc1)[N@@H+](Cc1cccc3nonc31)CC2 ZINC000067642536 275075761 /nfs/dbraw/zinc/07/57/61/275075761.db2.gz JPIBRQPOJUQUKG-SFHVURJKSA-N 1 1 345.406 3.288 50 0 EGAAMO Cc1n[nH]c(C)c1[C@H]([NH3+])C(=O)N(Cc1ccc(C)cc1)C1CCCC1 ZINC000091381255 302521757 /nfs/dbraw/zinc/52/17/57/302521757.db2.gz WPFYHQLZSWZQRT-IBGZPJMESA-N 1 1 340.471 3.306 50 0 EGAAMO Cc1ccc(Cl)c(OCCOCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000016247236 453598949 /nfs/dbraw/zinc/59/89/49/453598949.db2.gz ALNUZSFHDONXIC-GASCZTMLSA-N 1 1 327.852 3.153 50 0 EGAAMO Cc1ccc(Cl)c(OCCOCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000016247236 453598950 /nfs/dbraw/zinc/59/89/50/453598950.db2.gz ALNUZSFHDONXIC-GASCZTMLSA-N 1 1 327.852 3.153 50 0 EGAAMO C[C@@H](NC(=O)CC[N@H+]1CCCC2(CCOCC2)C1)c1ccccc1 ZINC000244724211 455275920 /nfs/dbraw/zinc/27/59/20/455275920.db2.gz MPZKQSYBBCSTBP-QGZVFWFLSA-N 1 1 330.472 3.147 50 0 EGAAMO CC(C)=CCC[C@@]1(C)OC(=O)N(CCCn2cc[nH+]c2C)[C@@]1(C)O ZINC000000110693 452510329 /nfs/dbraw/zinc/51/03/29/452510329.db2.gz YKFPHCVRHUWONI-MSOLQXFVSA-N 1 1 335.448 3.247 50 0 EGAAMO CCOc1ccc(Br)c([C@]2(O)C[C@@H](C)[N@@H+](C)C[C@H]2C)c1 ZINC000002345303 452696184 /nfs/dbraw/zinc/69/61/84/452696184.db2.gz KTZNNKANCYRNTA-HSMVNMDESA-N 1 1 342.277 3.396 50 0 EGAAMO CCCOc1ccc(N2C(=O)C[C@H]([N@H+]3CCCC[C@H]3CC)C2=O)cc1 ZINC000002500731 452702272 /nfs/dbraw/zinc/70/22/72/452702272.db2.gz KJISFIHAFDNXCG-QAPCUYQASA-N 1 1 344.455 3.372 50 0 EGAAMO COc1ccccc1C(=O)N1CC[NH+](CCCc2ccccc2)CC1 ZINC000002734521 452718346 /nfs/dbraw/zinc/71/83/46/452718346.db2.gz XDQDCNVTPLRQQQ-UHFFFAOYSA-N 1 1 338.451 3.086 50 0 EGAAMO CCCCOc1ccc(N2C(=O)C[C@H]([NH+]3CCC(C)CC3)C2=O)cc1 ZINC000002965251 452735935 /nfs/dbraw/zinc/73/59/35/452735935.db2.gz KNZRDNVUKXSFAQ-SFHVURJKSA-N 1 1 344.455 3.229 50 0 EGAAMO COc1cccc([C@@H]2c3cc(OC)c(OC)cc3CC[N@H+]2C)c1OC ZINC000003182908 452745623 /nfs/dbraw/zinc/74/56/23/452745623.db2.gz VBXOYPBJXJNRTP-LJQANCHMSA-N 1 1 343.423 3.298 50 0 EGAAMO COc1cccc([C@@H]2c3cc(OC)c(OC)cc3CC[N@@H+]2C)c1OC ZINC000003182908 452745628 /nfs/dbraw/zinc/74/56/28/452745628.db2.gz VBXOYPBJXJNRTP-LJQANCHMSA-N 1 1 343.423 3.298 50 0 EGAAMO C[C@@H]1CCC[C@H](C)[N@@H+]1C[C@@H](O)COc1ccccc1Br ZINC000003156041 452746940 /nfs/dbraw/zinc/74/69/40/452746940.db2.gz BPHYNPKPWOFXDN-HZSPNIEDSA-N 1 1 342.277 3.452 50 0 EGAAMO CCOc1ccc2[nH]c3c(ncnc3NC[C@H]3CCC[N@H+]3CC)c2c1 ZINC000005163413 452842426 /nfs/dbraw/zinc/84/24/26/452842426.db2.gz BGJROBRBXVOHEE-CYBMUJFWSA-N 1 1 339.443 3.406 50 0 EGAAMO C[N@@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2cccc(Cl)c2)N3)C1 ZINC000005274687 452854171 /nfs/dbraw/zinc/85/41/71/452854171.db2.gz AXSAWZLICFHXOK-CQSZACIVSA-N 1 1 333.844 3.244 50 0 EGAAMO C[N@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2cccc(Cl)c2)N3)C1 ZINC000005274687 452854184 /nfs/dbraw/zinc/85/41/84/452854184.db2.gz AXSAWZLICFHXOK-CQSZACIVSA-N 1 1 333.844 3.244 50 0 EGAAMO CCCCC1CCC(C(=O)N2CCN(c3[nH+]ccn3C)CC2)CC1 ZINC000012444458 453362119 /nfs/dbraw/zinc/36/21/19/453362119.db2.gz XTWVVKZRCQUIHG-UHFFFAOYSA-N 1 1 332.492 3.065 50 0 EGAAMO CCCc1sc(C(=O)N2CCC[N@H+](C)CC2)cc1Br ZINC000013323266 453458499 /nfs/dbraw/zinc/45/84/99/453458499.db2.gz IFVOCRKQGWZVQB-UHFFFAOYSA-N 1 1 345.306 3.241 50 0 EGAAMO CCCc1sc(C(=O)N2CCC[N@@H+](C)CC2)cc1Br ZINC000013323266 453458504 /nfs/dbraw/zinc/45/85/04/453458504.db2.gz IFVOCRKQGWZVQB-UHFFFAOYSA-N 1 1 345.306 3.241 50 0 EGAAMO COCC[N@@H+](Cc1nc(-c2ccc(C(=O)OC)cc2)oc1C)C(C)C ZINC000015073137 453554270 /nfs/dbraw/zinc/55/42/70/453554270.db2.gz RDKAUMRSHZFFMC-UHFFFAOYSA-N 1 1 346.427 3.293 50 0 EGAAMO c1ccc(CN2CCN(C3CC[NH+](Cc4ccccc4)CC3)CC2)cc1 ZINC000019637405 453657234 /nfs/dbraw/zinc/65/72/34/453657234.db2.gz MYPDXFPPZFFXJF-UHFFFAOYSA-N 1 1 349.522 3.469 50 0 EGAAMO O=C(CCCCc1ccccc1)N1CCCC[C@H]1C[NH+]1CCOCC1 ZINC000082146708 453926637 /nfs/dbraw/zinc/92/66/37/453926637.db2.gz KYBMJZFMDJQGTD-FQEVSTJZSA-N 1 1 344.499 3.113 50 0 EGAAMO CC[C@@H](C)NC(=O)NCc1cc2n(n1)CCC[N@H+](C1CCCCC1)C2 ZINC000082166692 453926659 /nfs/dbraw/zinc/92/66/59/453926659.db2.gz WXOBETZMALLWEJ-OAHLLOKOSA-N 1 1 347.507 3.019 50 0 EGAAMO CC[C@H](CO)[N@@H+](Cc1ccco1)Cc1ccccc1Cn1cccn1 ZINC000055392927 453980869 /nfs/dbraw/zinc/98/08/69/453980869.db2.gz NSDRVLKVYKFUQH-LJQANCHMSA-N 1 1 339.439 3.298 50 0 EGAAMO NC(=O)COc1cccc(C[N@H+]2CCCCC[C@H]2c2ccco2)c1 ZINC000076805194 454038656 /nfs/dbraw/zinc/03/86/56/454038656.db2.gz HZNGJKZFKJVXIB-KRWDZBQOSA-N 1 1 328.412 3.261 50 0 EGAAMO Cc1cc(C(=O)N2CCCC[C@@H]2c2ccc(C[NH+](C)C)cc2)n[nH]1 ZINC000077357733 454096885 /nfs/dbraw/zinc/09/68/85/454096885.db2.gz QTFFVCQWQKXTGM-GOSISDBHSA-N 1 1 326.444 3.147 50 0 EGAAMO COc1cc(Cl)cc(CN2C[C@@H]3CC[N@@H+](C)[C@@H]3C2)c1OC(C)C ZINC000077439015 454106119 /nfs/dbraw/zinc/10/61/19/454106119.db2.gz NNZGNRPCRFNIDY-XJKSGUPXSA-N 1 1 338.879 3.272 50 0 EGAAMO Cc1nc(C(=O)N2CCC[N@@H+](CCCc3ccccc3)CC2)cs1 ZINC000077488850 454112389 /nfs/dbraw/zinc/11/23/89/454112389.db2.gz ZKIYCBSWXIYNMP-UHFFFAOYSA-N 1 1 343.496 3.232 50 0 EGAAMO O=C(C[C@@H]1C[C@@H]2C=C[C@H]1C2)N1CCC[N@@H+](Cc2ccccc2F)CC1 ZINC000077504304 454114809 /nfs/dbraw/zinc/11/48/09/454114809.db2.gz HFKZHDRBNKVKRE-AOIWGVFYSA-N 1 1 342.458 3.462 50 0 EGAAMO O=C(C[C@@H]1C[C@@H]2C=C[C@H]1C2)N1CCC[N@H+](Cc2ccccc2F)CC1 ZINC000077504304 454114814 /nfs/dbraw/zinc/11/48/14/454114814.db2.gz HFKZHDRBNKVKRE-AOIWGVFYSA-N 1 1 342.458 3.462 50 0 EGAAMO C[N@H+]1CCCC2(CCN(C(=O)CCc3ccccc3O)CC2)CC1 ZINC000071315741 454205445 /nfs/dbraw/zinc/20/54/45/454205445.db2.gz NHODRPWXFYRXRJ-UHFFFAOYSA-N 1 1 330.472 3.049 50 0 EGAAMO COc1ccc2cc([C@@H]3C[N@H+](CCn4cccn4)CCO3)ccc2c1 ZINC000071738884 454212259 /nfs/dbraw/zinc/21/22/59/454212259.db2.gz IRBATUMAUBSQRK-FQEVSTJZSA-N 1 1 337.423 3.118 50 0 EGAAMO COc1ccc2cc([C@@H]3C[N@@H+](CCn4cccn4)CCO3)ccc2c1 ZINC000071738884 454212263 /nfs/dbraw/zinc/21/22/63/454212263.db2.gz IRBATUMAUBSQRK-FQEVSTJZSA-N 1 1 337.423 3.118 50 0 EGAAMO COc1ccc(OC)c(-c2nc(C[N@H+]3CCC[C@](C)(O)C3)c(C)o2)c1 ZINC000071759783 454215439 /nfs/dbraw/zinc/21/54/39/454215439.db2.gz AKNJYNQHUSCKIB-IBGZPJMESA-N 1 1 346.427 3.014 50 0 EGAAMO Cc1nc2ccc(C(=O)N3C[C@H]4CC[C@H](C[N@@H+]4CC4CC4)C3)cc2o1 ZINC000095518746 454226632 /nfs/dbraw/zinc/22/66/32/454226632.db2.gz YWAJMDQYSSWHOP-NVXWUHKLSA-N 1 1 339.439 3.083 50 0 EGAAMO Cc1ccccc1[C@@H](C(=O)N(Cc1cccc(O)c1)C1CC1)[NH+](C)C ZINC000095531592 454229404 /nfs/dbraw/zinc/22/94/04/454229404.db2.gz CVFCONFCULLZHY-FQEVSTJZSA-N 1 1 338.451 3.495 50 0 EGAAMO O[C@H](COc1ccc(F)cc1)C[N@@H+]1CC=C(c2ccccc2)CC1 ZINC000046343538 454243329 /nfs/dbraw/zinc/24/33/29/454243329.db2.gz OOQLGTZUWJPPQB-IBGZPJMESA-N 1 1 327.399 3.355 50 0 EGAAMO CC[N@H+]1CCC[C@H]1CNC(=O)Nc1ccc(Oc2ccccc2)nc1 ZINC000096151681 454293941 /nfs/dbraw/zinc/29/39/41/454293941.db2.gz WGNUCMCVQAFNJJ-INIZCTEOSA-N 1 1 340.427 3.480 50 0 EGAAMO Cc1ccc(-c2c3ccccc3[nH]c(=O)c2C[NH+]2CCOCC2)cc1 ZINC000072314712 454294006 /nfs/dbraw/zinc/29/40/06/454294006.db2.gz BWFZDYAKMVANHT-UHFFFAOYSA-N 1 1 334.419 3.336 50 0 EGAAMO Cc1ccc(-c2cc(-c3nc(CC4CC[NH+](C)CC4)no3)[nH]n2)s1 ZINC000096162631 454295235 /nfs/dbraw/zinc/29/52/35/454295235.db2.gz BKYBMZWXMFROFR-UHFFFAOYSA-N 1 1 343.456 3.381 50 0 EGAAMO C[N@H+]1CCCCC[C@@H]1C(=O)NCc1cnc(-c2ccccc2)s1 ZINC000097076269 454399134 /nfs/dbraw/zinc/39/91/34/454399134.db2.gz HDAZYEPVUITEIR-MRXNPFEDSA-N 1 1 329.469 3.301 50 0 EGAAMO O=C(c1cccnc1)[C@@H]1CCC[N@H+](Cc2cc(=O)c3ccccc3[nH]2)C1 ZINC000091321378 454427122 /nfs/dbraw/zinc/42/71/22/454427122.db2.gz MXCXWQXLOMHYOP-MRXNPFEDSA-N 1 1 347.418 3.018 50 0 EGAAMO O=C(c1cccnc1)[C@@H]1CCC[N@@H+](Cc2cc(=O)c3ccccc3[nH]2)C1 ZINC000091321378 454427124 /nfs/dbraw/zinc/42/71/24/454427124.db2.gz MXCXWQXLOMHYOP-MRXNPFEDSA-N 1 1 347.418 3.018 50 0 EGAAMO O=C(NCC[N@H+]1CC[C@@H](c2ccccc2)C1)c1cnc2c(c1)CCCC2 ZINC000097657377 454442312 /nfs/dbraw/zinc/44/23/12/454442312.db2.gz XOJYLWWKZAXGGA-LJQANCHMSA-N 1 1 349.478 3.180 50 0 EGAAMO CC(C)c1nc(CN(C)C[C@]2(O)CCC[N@H+]3CCCC[C@@H]32)cs1 ZINC000063834500 454453040 /nfs/dbraw/zinc/45/30/40/454453040.db2.gz DKAXVGOSXMTGBN-SJLPKXTDSA-N 1 1 337.533 3.078 50 0 EGAAMO O=C1N(CC2CCC2)CCC[C@@]12CC[N@@H+](Cc1cc(C3CC3)on1)C2 ZINC000091780719 454470760 /nfs/dbraw/zinc/47/07/60/454470760.db2.gz USDZDWRACLHOFN-FQEVSTJZSA-N 1 1 343.471 3.167 50 0 EGAAMO COc1ccc(C(C)C)cc1C[NH+]1CCN(c2ncc(F)cn2)CC1 ZINC000065381820 454556764 /nfs/dbraw/zinc/55/67/64/454556764.db2.gz KEBVPWXNOQJXEO-UHFFFAOYSA-N 1 1 344.434 3.070 50 0 EGAAMO Cc1[nH+]ccn1CC[C@H]1CCCCN1C(=O)c1cc(CC(C)C)on1 ZINC000065388206 454557722 /nfs/dbraw/zinc/55/77/22/454557722.db2.gz LYNTWNDLGJWQIX-MRXNPFEDSA-N 1 1 344.459 3.463 50 0 EGAAMO COc1cc(-c2ccccc2C[NH+]2CCOCC2)cc(OC)c1OC ZINC000065404403 454560460 /nfs/dbraw/zinc/56/04/60/454560460.db2.gz CZLZREHWJLGIAY-UHFFFAOYSA-N 1 1 343.423 3.212 50 0 EGAAMO CC[C@@H](C(=O)Nc1ccc(C)cc1)[N@H+]1CC=C(c2cnn(C)c2)CC1 ZINC000065406232 454561295 /nfs/dbraw/zinc/56/12/95/454561295.db2.gz URKDKVDDTMLHGA-IBGZPJMESA-N 1 1 338.455 3.235 50 0 EGAAMO CC[C@@H](C(=O)Nc1ccc(C)cc1)[N@@H+]1CC=C(c2cnn(C)c2)CC1 ZINC000065406232 454561301 /nfs/dbraw/zinc/56/13/01/454561301.db2.gz URKDKVDDTMLHGA-IBGZPJMESA-N 1 1 338.455 3.235 50 0 EGAAMO Cc1[nH+]ccn1-c1ccccc1CNCc1nc(-c2ccco2)no1 ZINC000065451268 454569144 /nfs/dbraw/zinc/56/91/44/454569144.db2.gz FFEGOWIZTBGNME-UHFFFAOYSA-N 1 1 335.367 3.114 50 0 EGAAMO C[C@H]1CCCN(C(=O)CC[N@H+](C)Cc2cc(-c3ccccc3)on2)C1 ZINC000065527912 454585572 /nfs/dbraw/zinc/58/55/72/454585572.db2.gz XTAZSCIREKFYTP-INIZCTEOSA-N 1 1 341.455 3.422 50 0 EGAAMO C[C@H]1CCCN(C(=O)CC[N@@H+](C)Cc2cc(-c3ccccc3)on2)C1 ZINC000065527912 454585578 /nfs/dbraw/zinc/58/55/78/454585578.db2.gz XTAZSCIREKFYTP-INIZCTEOSA-N 1 1 341.455 3.422 50 0 EGAAMO O=C(CCc1ccccc1)N1CCC[N@H+](C2CCSCC2)CC1 ZINC000092932011 454655721 /nfs/dbraw/zinc/65/57/21/454655721.db2.gz PWGIJDSQYJJLES-UHFFFAOYSA-N 1 1 332.513 3.049 50 0 EGAAMO Cn1ccc2ccc(C(=O)NC[C@H]3CCC[N@H+]4CCCC[C@@H]34)cc21 ZINC000170613336 454942213 /nfs/dbraw/zinc/94/22/13/454942213.db2.gz LJHXKSQDEWTYLC-MSOLQXFVSA-N 1 1 325.456 3.173 50 0 EGAAMO Cn1ccc(NC(=O)C[N@@H+]2CCCCC[C@H]2c2cccc(F)c2)n1 ZINC000252481951 455808942 /nfs/dbraw/zinc/80/89/42/455808942.db2.gz CVWXLXBUCKFIQA-INIZCTEOSA-N 1 1 330.407 3.115 50 0 EGAAMO Cn1ccc(NC(=O)C[N@H+]2CCCCC[C@H]2c2cccc(F)c2)n1 ZINC000252481951 455808946 /nfs/dbraw/zinc/80/89/46/455808946.db2.gz CVWXLXBUCKFIQA-INIZCTEOSA-N 1 1 330.407 3.115 50 0 EGAAMO Cc1ccccc1-c1cccc(CN2CCN3CC[N@H+](C)C[C@H]3C2)c1 ZINC000225321743 456076709 /nfs/dbraw/zinc/07/67/09/456076709.db2.gz LJZIALCJZPLFIH-NRFANRHFSA-N 1 1 335.495 3.094 50 0 EGAAMO CN(Cc1ccoc1)C(=O)NCC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000426444574 457832068 /nfs/dbraw/zinc/83/20/68/457832068.db2.gz MAGAZMDJKDAPGP-GOSISDBHSA-N 1 1 341.455 3.333 50 0 EGAAMO CC[C@H](CNC(=O)c1ccc(-c2ccc(CO)cc2)cc1)[N@@H+](C)CC ZINC000426647938 457869922 /nfs/dbraw/zinc/86/99/22/457869922.db2.gz OVDJBPCIVCLBRU-HXUWFJFHSA-N 1 1 340.467 3.306 50 0 EGAAMO C[C@@H](NC(=O)N1CCC[N@H+](Cc2ccccn2)CC1)c1ccsc1 ZINC000534676123 459345208 /nfs/dbraw/zinc/34/52/08/459345208.db2.gz GOZJTRMRGRLOMM-OAHLLOKOSA-N 1 1 344.484 3.122 50 0 EGAAMO C[C@@H](NC(=O)N1CCC[N@@H+](Cc2ccccn2)CC1)c1ccsc1 ZINC000534676123 459345213 /nfs/dbraw/zinc/34/52/13/459345213.db2.gz GOZJTRMRGRLOMM-OAHLLOKOSA-N 1 1 344.484 3.122 50 0 EGAAMO CC(C)c1[nH+]ccn1CCCNC(=O)CC1Cc2ccccc2C1 ZINC000244692005 534915310 /nfs/dbraw/zinc/91/53/10/534915310.db2.gz JMVASCGRKRYSEM-UHFFFAOYSA-N 1 1 325.456 3.318 50 0 EGAAMO CN(C)Cc1ccc(C(=O)N[C@@H]2CCC[N@H+](C3CCCCCC3)C2)o1 ZINC000012304137 1291131970 /nfs/dbraw/zinc/13/19/70/1291131970.db2.gz JFRCFCKZRQQABC-MRXNPFEDSA-N 1 1 347.503 3.258 50 0 EGAAMO CC(C)[C@@H]1CN(C(=O)c2ccno2)CCC[N@H+]1Cc1ccc(F)cc1 ZINC000071615008 1292267744 /nfs/dbraw/zinc/26/77/44/1292267744.db2.gz LAFJCEYXPUWLDO-KRWDZBQOSA-N 1 1 345.418 3.186 50 0 EGAAMO CC(C)OC(=O)NCc1cc2n(n1)CCC[N@H+](C1CCCCC1)C2 ZINC000082086653 1292678290 /nfs/dbraw/zinc/67/82/90/1292678290.db2.gz LGYVJSRRBONQMI-UHFFFAOYSA-N 1 1 334.464 3.056 50 0 EGAAMO Cc1[nH+]ccn1Cc1ccccc1NC(=O)c1cc(C(F)F)[nH]n1 ZINC000952873927 1334584971 /nfs/dbraw/zinc/58/49/71/1334584971.db2.gz RBVVJQBUFGPJLJ-UHFFFAOYSA-N 1 1 331.326 3.153 50 0 EGAAMO CC[C@@H](C)C(=O)Nc1ccccc1C(=O)NCC(C)(C)[N@@H+](C)CC ZINC000952971314 1334627655 /nfs/dbraw/zinc/62/76/55/1334627655.db2.gz CYGUYWZCOFAGCA-CQSZACIVSA-N 1 1 333.476 3.131 50 0 EGAAMO CC(C)COc1cccc(C[N@@H+](C)[C@H]2C[C@H]3CNC(=O)C[C@H]3C2)c1 ZINC001704297892 1416433092 /nfs/dbraw/zinc/43/30/92/1416433092.db2.gz AIUYATZCHDOFJB-FGTMMUONSA-N 1 1 330.472 3.068 50 0 EGAAMO Cc1[nH+]ccn1CCC(=O)N[C@H]1CCC[C@H]1Cc1ccc(F)cc1 ZINC001704348959 1416452346 /nfs/dbraw/zinc/45/23/46/1416452346.db2.gz PLOOGEOQOPFYCC-WMZOPIPTSA-N 1 1 329.419 3.248 50 0 EGAAMO CCOc1cccc(-c2nn3c(nnc3[C@@H]3CCC[N@@H+](C)C3)s2)c1 ZINC001772491135 1441416058 /nfs/dbraw/zinc/41/60/58/1441416058.db2.gz OXQBSAUVLLBYAS-CYBMUJFWSA-N 1 1 343.456 3.061 50 0 EGAAMO Cc1ccc2c(C(=O)NC[C@@H]3CC[N@H+](C4CCCCC4)C3)cnn2c1 ZINC001772709066 1441417185 /nfs/dbraw/zinc/41/71/85/1441417185.db2.gz HOPXCULARWKSGY-INIZCTEOSA-N 1 1 340.471 3.027 50 0 EGAAMO Cc1cc(C(=O)NCC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc(C)n1 ZINC000097632192 219042621 /nfs/dbraw/zinc/04/26/21/219042621.db2.gz LQWQNJFBKXWTKY-LJQANCHMSA-N 1 1 337.467 3.340 50 0 EGAAMO CSc1ccc(C[N@@H+](CCO)Cc2ccc(NC(C)=O)cc2)cc1 ZINC000055052995 214267663 /nfs/dbraw/zinc/26/76/63/214267663.db2.gz XQOCEWIWAZSNHE-UHFFFAOYSA-N 1 1 344.480 3.361 50 0 EGAAMO CCc1ccccc1OCCN(C)C(=O)c1ccc(C[NH+](C)C)o1 ZINC000055183037 214284358 /nfs/dbraw/zinc/28/43/58/214284358.db2.gz MEMYOPYZBHFQDN-UHFFFAOYSA-N 1 1 330.428 3.055 50 0 EGAAMO COc1ccc(C[N@H+](C)Cc2c[nH]nc2-c2ccc(F)cc2)cn1 ZINC000055307138 214304053 /nfs/dbraw/zinc/30/40/53/214304053.db2.gz TXJSZQIAVDXBTR-UHFFFAOYSA-N 1 1 326.375 3.251 50 0 EGAAMO COc1ccc(C[N@@H+](C)Cc2c[nH]nc2-c2ccc(F)cc2)cn1 ZINC000055307138 214304055 /nfs/dbraw/zinc/30/40/55/214304055.db2.gz TXJSZQIAVDXBTR-UHFFFAOYSA-N 1 1 326.375 3.251 50 0 EGAAMO CC[C@]12C=CC[N@@H+]3CC[C@@]4(c5ccccc5NC4=C(C(=O)OC)C1)[C@@H]32 ZINC000056871302 214392607 /nfs/dbraw/zinc/39/26/07/214392607.db2.gz FNGGIPWAZSFKCN-ACRUOGEOSA-N 1 1 336.435 3.221 50 0 biogenic,in-vitro EGAAMO CN(C)c1ccc(CCC(=O)N2CCC[N@H+](C3CCCC3)CC2)cc1 ZINC000265722832 282288508 /nfs/dbraw/zinc/28/85/08/282288508.db2.gz MWKLUKCMYMTACF-UHFFFAOYSA-N 1 1 343.515 3.162 50 0 EGAAMO CCCOc1ccc(N2C(=O)C[C@@H]([N@H+]3CCCC[C@@H]3CC)C2=O)cc1 ZINC000004462133 210194985 /nfs/dbraw/zinc/19/49/85/210194985.db2.gz KJISFIHAFDNXCG-MAUKXSAKSA-N 1 1 344.455 3.372 50 0 EGAAMO Cc1ccc(C[N@H+]2CC[C@@H](CNC(=O)c3cccc(N)c3)C2)cc1C ZINC000067654967 215175103 /nfs/dbraw/zinc/17/51/03/215175103.db2.gz CJDLUUOUGZXQSF-SFHVURJKSA-N 1 1 337.467 3.138 50 0 EGAAMO O=C(NC[C@@H]1CCC[N@@H+](C/C=C/c2ccco2)C1)c1cccc(O)c1 ZINC000067675859 215180800 /nfs/dbraw/zinc/18/08/00/215180800.db2.gz PDBMDDLTMVMDMG-ICFOYXHFSA-N 1 1 340.423 3.140 50 0 EGAAMO CCc1[nH]c(CN2CCc3nc[nH]c3[C@@H]2Cc2ccccc2)c(C)[nH+]1 ZINC000067675494 215181957 /nfs/dbraw/zinc/18/19/57/215181957.db2.gz MDVDXWAGUMDZDZ-SFHVURJKSA-N 1 1 335.455 3.346 50 0 EGAAMO CCN(C(=O)c1cc(C[N@@H+](C)CCc2ccccc2)on1)C(C)C ZINC000067678645 215183343 /nfs/dbraw/zinc/18/33/43/215183343.db2.gz YDAJJDCKVMBDAE-UHFFFAOYSA-N 1 1 329.444 3.220 50 0 EGAAMO CC(=O)c1cccc(C[N@H+]2CC[C@@H](CNC(=O)c3ccccc3)C2)c1 ZINC000067742576 215200569 /nfs/dbraw/zinc/20/05/69/215200569.db2.gz NXYFVZFLBFYAET-SFHVURJKSA-N 1 1 336.435 3.141 50 0 EGAAMO Cc1ccc(C)c(C[N@H+]2CC[C@@H](CNC(=O)c3ccc(O)cc3)C2)c1 ZINC000067741128 215201189 /nfs/dbraw/zinc/20/11/89/215201189.db2.gz WRWWIVFWXQKMPO-KRWDZBQOSA-N 1 1 338.451 3.261 50 0 EGAAMO O=C(NC[C@@H]1CC[N@H+](CCC(F)(F)F)C1)c1cc2ccccc2o1 ZINC000067769992 215207772 /nfs/dbraw/zinc/20/77/72/215207772.db2.gz ZCEXYVWMGFLEJS-LBPRGKRZSA-N 1 1 340.345 3.437 50 0 EGAAMO Cc1noc(C)c1[C@H]1CCC[N@@H+]1Cc1cnn2c1nc(C)cc2C ZINC000067757714 215206159 /nfs/dbraw/zinc/20/61/59/215206159.db2.gz CRUUKSYLRIJURR-MRXNPFEDSA-N 1 1 325.416 3.288 50 0 EGAAMO Cc1noc(C)c1[C@H]1CCC[N@H+]1Cc1cnn2c1nc(C)cc2C ZINC000067757714 215206164 /nfs/dbraw/zinc/20/61/64/215206164.db2.gz CRUUKSYLRIJURR-MRXNPFEDSA-N 1 1 325.416 3.288 50 0 EGAAMO C[NH+]1CCN(C(=O)CCn2c(-c3ccccc3)cc3ccccc32)CC1 ZINC000040287670 213289103 /nfs/dbraw/zinc/28/91/03/213289103.db2.gz ZZVGFKHKPGDRLY-UHFFFAOYSA-N 1 1 347.462 3.472 50 0 EGAAMO CCc1nc(C)sc1C[N@H+]1CCCC[C@H]1CCN1CCCC1=O ZINC000072127386 216018178 /nfs/dbraw/zinc/01/81/78/216018178.db2.gz OFJARVOGKSPAGH-HNNXBMFYSA-N 1 1 335.517 3.381 50 0 EGAAMO CCc1ccc2nc(C)cc(C(=O)N3CC[N@H+]4CCCC[C@H]4C3)c2c1 ZINC000072140317 216026329 /nfs/dbraw/zinc/02/63/29/216026329.db2.gz RYLRKKHDXMNRNO-KRWDZBQOSA-N 1 1 337.467 3.416 50 0 EGAAMO COc1c[nH]c(C[N@H+]2CCC[C@H](Nc3ccc(F)c(F)c3)C2)cc1=O ZINC000072144093 216030071 /nfs/dbraw/zinc/03/00/71/216030071.db2.gz DSTJDPZQRISFQK-ZDUSSCGKSA-N 1 1 349.381 3.151 50 0 EGAAMO COc1ccc(/C=C/C[N@H+]2CCC[C@@H](c3cc(=O)[nH]c(C)n3)C2)cc1 ZINC000072169598 216060540 /nfs/dbraw/zinc/06/05/40/216060540.db2.gz QGLLOTAGNMDSPH-NJELEJDNSA-N 1 1 339.439 3.392 50 0 EGAAMO OC[C@]1(O)CCCN(c2cc(-c3ccccc3)[nH+]c3ccccc32)C1 ZINC000072419004 216207548 /nfs/dbraw/zinc/20/75/48/216207548.db2.gz LFVDHMLUDURQJU-NRFANRHFSA-N 1 1 334.419 3.225 50 0 EGAAMO Fc1ccc([C@@H]2C[N@@H+](Cc3ccncc3)[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000072420010 216208448 /nfs/dbraw/zinc/20/84/48/216208448.db2.gz RITQYHNDYBGFJR-PWRODBHTSA-N 1 1 337.442 3.283 50 0 EGAAMO Fc1ccc([C@@H]2CN(Cc3ccncc3)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000072420010 216208452 /nfs/dbraw/zinc/20/84/52/216208452.db2.gz RITQYHNDYBGFJR-PWRODBHTSA-N 1 1 337.442 3.283 50 0 EGAAMO COc1ccc(-n2ccnc2C[N@H+](C)CCc2scnc2C)cc1 ZINC000072425148 216214585 /nfs/dbraw/zinc/21/45/85/216214585.db2.gz VAALZINAJLHUDE-UHFFFAOYSA-N 1 1 342.468 3.320 50 0 EGAAMO COc1ccc(-n2ccnc2C[N@@H+](C)CCc2scnc2C)cc1 ZINC000072425148 216214587 /nfs/dbraw/zinc/21/45/87/216214587.db2.gz VAALZINAJLHUDE-UHFFFAOYSA-N 1 1 342.468 3.320 50 0 EGAAMO CN1CC2(CC[NH+](Cc3cccc(Cl)c3Cl)CC2)OC1=O ZINC000072425455 216216166 /nfs/dbraw/zinc/21/61/66/216216166.db2.gz IYOMOZMDHRKVRG-UHFFFAOYSA-N 1 1 329.227 3.410 50 0 EGAAMO CCNc1nc(Nc2ccc(NC(=O)[C@H]3CCCO3)cc2)cc(C)[nH+]1 ZINC000072434165 216228988 /nfs/dbraw/zinc/22/89/88/216228988.db2.gz XNBAVQYVINBNAS-OAHLLOKOSA-N 1 1 341.415 3.078 50 0 EGAAMO NC(=O)c1ccc(C[N@@H+](CCc2ccccc2)Cc2cccnc2)cc1 ZINC000191356690 239063048 /nfs/dbraw/zinc/06/30/48/239063048.db2.gz BOMHBRGJLNVSQE-UHFFFAOYSA-N 1 1 345.446 3.425 50 0 EGAAMO Cn1cc(CC[N@@H+](C)Cc2cccc(OCc3ccccn3)c2)cn1 ZINC000215710492 241140172 /nfs/dbraw/zinc/14/01/72/241140172.db2.gz NXRZIMIFFIBXBD-UHFFFAOYSA-N 1 1 336.439 3.069 50 0 EGAAMO CN(Cc1cccc(OCc2ccccn2)c1)C[C@@]1(C)CC[N@@H+](C)C1 ZINC000216131939 241166887 /nfs/dbraw/zinc/16/68/87/241166887.db2.gz NWWJFBYEANCYKY-NRFANRHFSA-N 1 1 339.483 3.434 50 0 EGAAMO CN1CC[C@](C)(C[N@H+](C)Cc2cccc(OCc3ccccn3)c2)C1 ZINC000216131939 241166918 /nfs/dbraw/zinc/16/69/18/241166918.db2.gz NWWJFBYEANCYKY-NRFANRHFSA-N 1 1 339.483 3.434 50 0 EGAAMO CN1CC[C@](C)(C[N@@H+](C)Cc2cccc(OCc3ccccn3)c2)C1 ZINC000216131939 241166924 /nfs/dbraw/zinc/16/69/24/241166924.db2.gz NWWJFBYEANCYKY-NRFANRHFSA-N 1 1 339.483 3.434 50 0 EGAAMO C[NH+]1CCN(Cc2cccc(C(=O)c3ccc(F)cc3Cl)c2)CC1 ZINC000022028056 212270878 /nfs/dbraw/zinc/27/08/78/212270878.db2.gz DKVABXFLELPTGG-UHFFFAOYSA-N 1 1 346.833 3.458 50 0 EGAAMO C[NH+]1CCN(Cc2ccc(C(=O)c3ccc(Cl)c(F)c3)cc2)CC1 ZINC000022027926 212270590 /nfs/dbraw/zinc/27/05/90/212270590.db2.gz KBYSTDJIONXCMR-UHFFFAOYSA-N 1 1 346.833 3.458 50 0 EGAAMO CCc1c[nH]nc1[C@@H]1CCC[N@@H+](Cc2c(OC)cccc2OC)C1 ZINC000020993031 212195073 /nfs/dbraw/zinc/19/50/73/212195073.db2.gz QKQLDOLCBHYAAQ-OAHLLOKOSA-N 1 1 329.444 3.369 50 0 EGAAMO CC(C)c1nnsc1C[NH+]1CCC([C@@H](O)c2ccccn2)CC1 ZINC000244685580 243058266 /nfs/dbraw/zinc/05/82/66/243058266.db2.gz ISQPZHMEZFCIFL-QGZVFWFLSA-N 1 1 332.473 3.002 50 0 EGAAMO CC(C)(C)C[N@H+]1CCN(Cc2ccc3ncccc3c2)C[C@@H]1CCO ZINC000020782155 212171213 /nfs/dbraw/zinc/17/12/13/212171213.db2.gz ODXAORPGZUTELJ-IBGZPJMESA-N 1 1 341.499 3.150 50 0 EGAAMO Cc1ccnn1CC[N@H+]1CCC[C@H](c2nc(-c3ccccc3)no2)C1 ZINC000244874336 243094400 /nfs/dbraw/zinc/09/44/00/243094400.db2.gz WZPNNBXLGWADRQ-KRWDZBQOSA-N 1 1 337.427 3.121 50 0 EGAAMO Cc1cc([C@H]2CCCC[N@@H+]2CCCOc2ccc(C(N)=O)cc2)no1 ZINC000244874428 243094545 /nfs/dbraw/zinc/09/45/45/243094545.db2.gz XBCVLCRHQWWUBQ-GOSISDBHSA-N 1 1 343.427 3.078 50 0 EGAAMO Cc1cc([C@H]2CCCC[N@H+]2CCCOc2ccc(C(N)=O)cc2)no1 ZINC000244874428 243094549 /nfs/dbraw/zinc/09/45/49/243094549.db2.gz XBCVLCRHQWWUBQ-GOSISDBHSA-N 1 1 343.427 3.078 50 0 EGAAMO Cc1nc(CC(=O)NC[C@H]2CC[N@H+](C3CCCCC3)C2)c(C)s1 ZINC000244882828 243097854 /nfs/dbraw/zinc/09/78/54/243097854.db2.gz XZUDLPYNUVANRU-OAHLLOKOSA-N 1 1 335.517 3.073 50 0 EGAAMO Cc1ccc(Cl)c(OCCOCC[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000020166877 212107994 /nfs/dbraw/zinc/10/79/94/212107994.db2.gz ALNUZSFHDONXIC-HUUCEWRRSA-N 1 1 327.852 3.153 50 0 EGAAMO CCCCOc1ccc(N2C(=O)C[C@@H]([NH+]3CCC(C)CC3)C2=O)cc1 ZINC000019771993 212063679 /nfs/dbraw/zinc/06/36/79/212063679.db2.gz KNZRDNVUKXSFAQ-GOSISDBHSA-N 1 1 344.455 3.229 50 0 EGAAMO CCOC(=O)[C@@H]1CCC[N@@H+](Cc2cn(C)nc2-c2ccccc2F)C1 ZINC000012459308 211388751 /nfs/dbraw/zinc/38/87/51/211388751.db2.gz LWNBQAGVUMXSAN-CQSZACIVSA-N 1 1 345.418 3.001 50 0 EGAAMO c1cc(C[N@@H+]2CCc3onc(-c4ccc5c(c4)OCO5)c3C2)ccn1 ZINC000012448230 211387215 /nfs/dbraw/zinc/38/72/15/211387215.db2.gz KYALFLSHORQUMT-UHFFFAOYSA-N 1 1 335.363 3.024 50 0 EGAAMO c1cc(C[N@H+]2CCc3onc(-c4ccc5c(c4)OCO5)c3C2)ccn1 ZINC000012448230 211387219 /nfs/dbraw/zinc/38/72/19/211387219.db2.gz KYALFLSHORQUMT-UHFFFAOYSA-N 1 1 335.363 3.024 50 0 EGAAMO C[C@@H]1C[NH+](C[C@H](O)COc2ccccc2-c2ccccc2)C[C@@H](C)O1 ZINC000012420076 211375113 /nfs/dbraw/zinc/37/51/13/211375113.db2.gz DTGMJUIAYYICOP-LMMKCTJWSA-N 1 1 341.451 3.203 50 0 EGAAMO CCC(CC)C[N@@H+]1CCc2nnc(CCc3ccccc3)n2CC1 ZINC000012333662 211351533 /nfs/dbraw/zinc/35/15/33/211351533.db2.gz MROKQVNNGFBCGM-UHFFFAOYSA-N 1 1 326.488 3.358 50 0 EGAAMO CCOC(=O)[C@]1(CCOC)CCC[N@@H+](Cc2cccc(F)c2F)C1 ZINC000012029059 211281505 /nfs/dbraw/zinc/28/15/05/211281505.db2.gz KURNSCSWVBSKDM-SFHVURJKSA-N 1 1 341.398 3.147 50 0 EGAAMO CCN(CC)C(=O)[C@@H]1CCC[N@@H+](Cc2nc(-c3ccoc3)oc2C)C1 ZINC000011879499 211263125 /nfs/dbraw/zinc/26/31/25/211263125.db2.gz IMVLVMMPEGCUHS-OAHLLOKOSA-N 1 1 345.443 3.323 50 0 EGAAMO CC(C)(C)OC(=O)[C@H]1CC[N@H+](C2CCN(Cc3ccccc3)CC2)C1 ZINC000091696208 218050469 /nfs/dbraw/zinc/05/04/69/218050469.db2.gz UNWHCTMDYJWQSA-SFHVURJKSA-N 1 1 344.499 3.315 50 0 EGAAMO O=C(CC1CCCC1)N1C[C@H]2CC[C@H](C[N@@H+]2Cc2ccccn2)C1 ZINC000091664117 218043257 /nfs/dbraw/zinc/04/32/57/218043257.db2.gz QWLYBJHMOCZXKY-IEBWSBKVSA-N 1 1 327.472 3.085 50 0 EGAAMO O=C(CCC[NH+]1CCCCC1)NCCc1nc2ccc(Cl)cc2[nH]1 ZINC000095353575 218286609 /nfs/dbraw/zinc/28/66/09/218286609.db2.gz OJFSRVPBFRBWQZ-UHFFFAOYSA-N 1 1 348.878 3.141 50 0 EGAAMO Cc1ccc([C@H](C(=O)NCc2cc(F)c(F)c(F)c2)[NH+](C)C)cc1 ZINC000095366141 218298990 /nfs/dbraw/zinc/29/89/90/218298990.db2.gz RKWLDJQTPARWKW-QGZVFWFLSA-N 1 1 336.357 3.331 50 0 EGAAMO C[N@H+]1CCCCC[C@@H]1C(=O)NCc1nc(-c2ccc(F)cc2)cs1 ZINC000095368061 218299904 /nfs/dbraw/zinc/29/99/04/218299904.db2.gz NGKITUSZUNGUGQ-MRXNPFEDSA-N 1 1 347.459 3.440 50 0 EGAAMO Cc1ccc2nc(C)c(C)c(C(=O)N3CC[N@H+]4CCCC[C@@H]4C3)c2c1 ZINC000095367462 218300488 /nfs/dbraw/zinc/30/04/88/218300488.db2.gz JMGUAHBSNIXWFX-QGZVFWFLSA-N 1 1 337.467 3.470 50 0 EGAAMO CC(C)c1ccc(OCC(=O)NC[C@@H](c2ccco2)[NH+](C)C)cc1 ZINC000008991506 211028807 /nfs/dbraw/zinc/02/88/07/211028807.db2.gz GBANOUHBWMPVDT-KRWDZBQOSA-N 1 1 330.428 3.201 50 0 EGAAMO Cc1ccc(OC2CCN(C(=O)CC[C@H]3CCC[N@H+](C)C3)CC2)cc1 ZINC000095370259 218302721 /nfs/dbraw/zinc/30/27/21/218302721.db2.gz LICKRRUXBVRVHJ-GOSISDBHSA-N 1 1 344.499 3.487 50 0 EGAAMO C[N@H+]1CCC[C@@H](CCC(=O)NCc2cc(-c3ccccc3F)no2)C1 ZINC000095370863 218304069 /nfs/dbraw/zinc/30/40/69/218304069.db2.gz VMFIQIOFNVKLTD-AWEZNQCLSA-N 1 1 345.418 3.219 50 0 EGAAMO CCc1cccc(OCCCN(C)C(=O)[C@@H]2CCCCC[N@H+]2C)c1 ZINC000095387517 218318875 /nfs/dbraw/zinc/31/88/75/218318875.db2.gz DJPGOKPKMPQUMM-IBGZPJMESA-N 1 1 332.488 3.351 50 0 EGAAMO CC[C@@H](C)[C@H]([NH3+])c1nnc(SCC(=O)Nc2ccc(C)cc2C)o1 ZINC000005025367 210365704 /nfs/dbraw/zinc/36/57/04/210365704.db2.gz HGYVJZXZELOPLP-ABAIWWIYSA-N 1 1 348.472 3.463 50 0 EGAAMO COc1cccc(C[N@@H+]2CCc3cc(OC)c(OC)cc3C2)c1OC ZINC000004990229 210352628 /nfs/dbraw/zinc/35/26/28/210352628.db2.gz VNMHQJUNFUOADH-UHFFFAOYSA-N 1 1 343.423 3.279 50 0 EGAAMO COc1cccc(C[N@H+]2CCc3cc(OC)c(OC)cc3C2)c1OC ZINC000004990229 210352634 /nfs/dbraw/zinc/35/26/34/210352634.db2.gz VNMHQJUNFUOADH-UHFFFAOYSA-N 1 1 343.423 3.279 50 0 EGAAMO C[N@@H+](Cc1ccccc1OC1CCCC1)CC1(CO)CCOCC1 ZINC000097436956 219024931 /nfs/dbraw/zinc/02/49/31/219024931.db2.gz XNZQOIAJYPQHOX-UHFFFAOYSA-N 1 1 333.472 3.229 50 0 EGAAMO CO[C@]12CC[N@@H+](Cc3cc(C4CCCCC4)no3)[C@H]1C[C@H](O)CC2 ZINC000299803124 258105876 /nfs/dbraw/zinc/10/58/76/258105876.db2.gz XLPHFZOZGDJZLS-AYOQOUSVSA-N 1 1 334.460 3.227 50 0 EGAAMO CCCC(CCC)C(=O)NCC[NH+]1CCN(c2ccccc2)CC1 ZINC000055440405 132195245 /nfs/dbraw/zinc/19/52/45/132195245.db2.gz GNRRVMOVKVKNNG-UHFFFAOYSA-N 1 1 331.504 3.141 50 0 EGAAMO Cc1ccc([C@@H](C(=O)N(C)Cc2cnc3ccccc3n2)[NH+](C)C)cc1 ZINC000095385430 280936547 /nfs/dbraw/zinc/93/65/47/280936547.db2.gz CLLRMNBDGVIWFP-FQEVSTJZSA-N 1 1 348.450 3.200 50 0 EGAAMO Cc1ccccc1CCC(=O)Nc1ccc(NC(=O)C[NH+](C)C)cc1 ZINC000073305103 307385255 /nfs/dbraw/zinc/38/52/55/307385255.db2.gz KIKQAVZMSQTKJA-UHFFFAOYSA-N 1 1 339.439 3.066 50 0 EGAAMO COc1ccc(C[NH+]2CCN(c3ccc(F)cc3)CC2)c(OC)c1 ZINC000000238526 452543070 /nfs/dbraw/zinc/54/30/70/452543070.db2.gz NEXHIMQRYAYRJS-UHFFFAOYSA-N 1 1 330.403 3.165 50 0 EGAAMO O[C@@H](COCc1ccc(Cl)cc1)C[N@H+]1CCc2ccccc2C1 ZINC000000448361 452595300 /nfs/dbraw/zinc/59/53/00/452595300.db2.gz XFPRVFPKQLFJBJ-LJQANCHMSA-N 1 1 331.843 3.276 50 0 EGAAMO CC[N@H+]1CC[C@](O)(c2ccc(F)cc2)[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000000978083 452638893 /nfs/dbraw/zinc/63/88/93/452638893.db2.gz BYIGBTSEDRHFEO-QUCCMNQESA-N 1 1 345.389 3.377 50 0 EGAAMO CCOC(=O)[C@H]1CCC[N@@H+](CCCOc2cccc(Cl)c2)C1 ZINC000006703223 452974389 /nfs/dbraw/zinc/97/43/89/452974389.db2.gz ODZMSERAZVSQKF-AWEZNQCLSA-N 1 1 325.836 3.384 50 0 EGAAMO O=C(N[C@@H]1CCC[N@H+](C2CCCCCC2)C1)c1ncoc1C1CC1 ZINC000012592747 453378977 /nfs/dbraw/zinc/37/89/77/453378977.db2.gz FXEVQILYTJMHGN-OAHLLOKOSA-N 1 1 331.460 3.469 50 0 EGAAMO COC[C@@H]1CC[N@@H+](Cc2nc(-c3ccc(C(F)(F)F)cc3)no2)C1 ZINC000012761589 453400498 /nfs/dbraw/zinc/40/04/98/453400498.db2.gz WZPHZDSSMPKPNE-LLVKDONJSA-N 1 1 341.333 3.224 50 0 EGAAMO CCOC(=O)N1CCC([N@H+]2CCC[C@@H](Nc3ccc(F)cc3)C2)CC1 ZINC000015063427 453553064 /nfs/dbraw/zinc/55/30/64/453553064.db2.gz GHEJXCSFUQMTEB-QGZVFWFLSA-N 1 1 349.450 3.323 50 0 EGAAMO CC[C@@H](C)[C@@H]([NH3+])c1nnc(SCC(=O)Nc2cccc(C)c2C)o1 ZINC000016039279 453592119 /nfs/dbraw/zinc/59/21/19/453592119.db2.gz FRORKUJUIXITQV-MEBBXXQBSA-N 1 1 348.472 3.463 50 0 EGAAMO OCC[C@@H]1CN(Cc2cccc3cccnc32)CC[N@H+]1C1CCCC1 ZINC000020781287 453668891 /nfs/dbraw/zinc/66/88/91/453668891.db2.gz NEJUDYLXKUIGSJ-HXUWFJFHSA-N 1 1 339.483 3.046 50 0 EGAAMO CCOC(=O)C1CCN(c2cc(C)c3cc4c(cc3[nH+]2)OCO4)CC1 ZINC000023550196 453713590 /nfs/dbraw/zinc/71/35/90/453713590.db2.gz VQKGDZNPSGRQKP-UHFFFAOYSA-N 1 1 342.395 3.051 50 0 EGAAMO COc1cccc(C(=O)c2ccccc2C[NH+]2CCSCC2)c1 ZINC000085651629 454036023 /nfs/dbraw/zinc/03/60/23/454036023.db2.gz VASJOYRGBAIMSD-UHFFFAOYSA-N 1 1 327.449 3.475 50 0 EGAAMO c1csc(C[N@H+]2CCc3[nH]nc(-c4ccc5c(c4)OCO5)c3C2)c1 ZINC000043041366 454037669 /nfs/dbraw/zinc/03/76/69/454037669.db2.gz WOLUYZVDTSLMEE-UHFFFAOYSA-N 1 1 339.420 3.425 50 0 EGAAMO Cc1ccc([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2NC(=O)C2CC2)cc1 ZINC000077286975 454085564 /nfs/dbraw/zinc/08/55/64/454085564.db2.gz YJCWJDDUVSUELX-LEWJYISDSA-N 1 1 334.463 3.489 50 0 EGAAMO CCc1[nH+]ccn1CCC(=O)N1CCC(Oc2cccc(C)c2)CC1 ZINC000077321677 454091313 /nfs/dbraw/zinc/09/13/13/454091313.db2.gz DPNLSKQAPKMRFF-UHFFFAOYSA-N 1 1 341.455 3.214 50 0 EGAAMO CCc1ccc(C[N@H+]2CCC[C@@]3(CCC(=O)N(C4CC4)C3)C2)nc1 ZINC000077339916 454093785 /nfs/dbraw/zinc/09/37/85/454093785.db2.gz UBLZMOTVGVFWRV-HXUWFJFHSA-N 1 1 327.472 3.011 50 0 EGAAMO Cn1ccnc1CC[C@H]1CCCC[N@H+]1Cc1nc(-c2ccco2)no1 ZINC000077408459 454102750 /nfs/dbraw/zinc/10/27/50/454102750.db2.gz AEBJMUIKYHZSOT-CQSZACIVSA-N 1 1 341.415 3.050 50 0 EGAAMO O=C(C[C@H]1CCc2ccccc21)N1CCC[N@H+](Cc2ccncc2)CC1 ZINC000077452386 454107770 /nfs/dbraw/zinc/10/77/70/454107770.db2.gz LZJDPPVOPUBENK-HXUWFJFHSA-N 1 1 349.478 3.236 50 0 EGAAMO O=C(C[C@H]1CCc2ccccc21)N1CCC[N@@H+](Cc2ccncc2)CC1 ZINC000077452386 454107771 /nfs/dbraw/zinc/10/77/71/454107771.db2.gz LZJDPPVOPUBENK-HXUWFJFHSA-N 1 1 349.478 3.236 50 0 EGAAMO COC(=O)c1ccc(C[N@H+]2CCCC[C@@H]2CCn2ccnc2C)cc1 ZINC000077564300 454123890 /nfs/dbraw/zinc/12/38/90/454123890.db2.gz HTBMGOKWGLPRQG-LJQANCHMSA-N 1 1 341.455 3.423 50 0 EGAAMO COCCC[N@H+]1CCOc2c(O)cc(-c3ccc(Cl)cn3)cc2C1 ZINC000071315199 454204999 /nfs/dbraw/zinc/20/49/99/454204999.db2.gz KKAGYJFOJRHNAB-UHFFFAOYSA-N 1 1 348.830 3.339 50 0 EGAAMO CC[C@H]1C[N@@H+](Cc2ccc(O)cc2)CCC(=O)N1Cc1ccccc1 ZINC000071681673 454210363 /nfs/dbraw/zinc/21/03/63/454210363.db2.gz AKTAUOMKHYGYSI-IBGZPJMESA-N 1 1 338.451 3.405 50 0 EGAAMO Cc1ccc(-c2cc(C[N@H+]3CCC[C@H](N4CCCC4=O)C3)on2)cc1 ZINC000071714975 454211164 /nfs/dbraw/zinc/21/11/64/454211164.db2.gz SFTASEBMLWGNDR-KRWDZBQOSA-N 1 1 339.439 3.237 50 0 EGAAMO COc1ccc(-c2nc(CN3CC[NH+](C)CC3)c(C)o2)c(C)c1C ZINC000071745915 454211914 /nfs/dbraw/zinc/21/19/14/454211914.db2.gz SWCPGQSEXLJLGA-UHFFFAOYSA-N 1 1 329.444 3.023 50 0 EGAAMO FC(F)(F)CCc1ccnc(N2CCC[N@H+](C3CCCC3)CC2)n1 ZINC000071775782 454218021 /nfs/dbraw/zinc/21/80/21/454218021.db2.gz UIYVXMBUBVOCKP-UHFFFAOYSA-N 1 1 342.409 3.426 50 0 EGAAMO C[N@H+]1C[C@@H](c2ccccc2)CC12CCN(C(=O)Cc1ccncc1)CC2 ZINC000095502321 454222356 /nfs/dbraw/zinc/22/23/56/454222356.db2.gz PCYGQTPXNXHUCW-FQEVSTJZSA-N 1 1 349.478 3.105 50 0 EGAAMO Cc1[nH+]ccn1-c1cc(NC(=O)Cc2cccc3ccccc32)ncn1 ZINC000096119977 454288322 /nfs/dbraw/zinc/28/83/22/454288322.db2.gz QXHFXMIYLVCXDM-UHFFFAOYSA-N 1 1 343.390 3.305 50 0 EGAAMO C[N@@H+]1CCN(C(=O)c2c[nH]nc2-c2ccccc2)[C@H](c2ccccc2)C1 ZINC000096163928 454295928 /nfs/dbraw/zinc/29/59/28/454295928.db2.gz UNBRLQWBUFADJK-IBGZPJMESA-N 1 1 346.434 3.206 50 0 EGAAMO C[N@H+]1CCN(C(=O)c2c[nH]nc2-c2ccccc2)[C@H](c2ccccc2)C1 ZINC000096163928 454295930 /nfs/dbraw/zinc/29/59/30/454295930.db2.gz UNBRLQWBUFADJK-IBGZPJMESA-N 1 1 346.434 3.206 50 0 EGAAMO C[N@H+]1CCCCC[C@H]1C(=O)NCc1cnc(-c2ccccc2)s1 ZINC000097076272 454399408 /nfs/dbraw/zinc/39/94/08/454399408.db2.gz HDAZYEPVUITEIR-INIZCTEOSA-N 1 1 329.469 3.301 50 0 EGAAMO Cc1ccc(NC[C@H]2CC[N@H+](Cc3nc4ccccc4n3C)C2)nc1 ZINC000097200536 454422722 /nfs/dbraw/zinc/42/27/22/454422722.db2.gz SWFNFRWATQZJEN-MRXNPFEDSA-N 1 1 335.455 3.211 50 0 EGAAMO CC[N@H+]1CCCC[C@@H]1C(=O)NCc1cc(C(F)(F)F)ccc1F ZINC000097213116 454424903 /nfs/dbraw/zinc/42/49/03/454424903.db2.gz UPXZHGRYVMVADO-CQSZACIVSA-N 1 1 332.341 3.335 50 0 EGAAMO Cc1cccc([C@@H](C(=O)NCCOc2ccccc2Cl)[NH+](C)C)c1 ZINC000091635868 454454207 /nfs/dbraw/zinc/45/42/07/454454207.db2.gz VINJLNPWBOMISH-SFHVURJKSA-N 1 1 346.858 3.446 50 0 EGAAMO Cc1ccc(NC(=O)c2cccc(C[N@H+](C)CC3(C)COC3)c2)cn1 ZINC000065374523 454556055 /nfs/dbraw/zinc/55/60/55/454556055.db2.gz PAECNRRNKYRCBI-UHFFFAOYSA-N 1 1 339.439 3.111 50 0 EGAAMO COc1ccc(CNC(=O)[C@H](c2cccc(C)c2)[NH+](C)C)c(F)c1F ZINC000065419020 454563773 /nfs/dbraw/zinc/56/37/73/454563773.db2.gz PZNQPQZZIPQYAH-SFHVURJKSA-N 1 1 348.393 3.201 50 0 EGAAMO Cc1ccc(-n2nc(C(C)C)nc2CN2CCC[N@@H+](C)CC2)c(C)c1 ZINC000065456326 454570164 /nfs/dbraw/zinc/57/01/64/454570164.db2.gz AFCXICJJDOMOFZ-UHFFFAOYSA-N 1 1 341.503 3.145 50 0 EGAAMO Cc1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(O)(c2ccccc2)CC1 ZINC000185489526 455565462 /nfs/dbraw/zinc/56/54/62/455565462.db2.gz KKLUYNFJWFSXEM-QGZVFWFLSA-N 1 1 338.451 3.306 50 0 EGAAMO COc1ccccc1[C@H]1CCC[N@@H+]1Cc1nnc(-c2cccnc2)o1 ZINC000252501335 455815160 /nfs/dbraw/zinc/81/51/60/455815160.db2.gz UEGSLSSTHJBCEW-MRXNPFEDSA-N 1 1 336.395 3.477 50 0 EGAAMO COc1ccccc1[C@H]1CCC[N@H+]1Cc1nnc(-c2cccnc2)o1 ZINC000252501335 455815163 /nfs/dbraw/zinc/81/51/63/455815163.db2.gz UEGSLSSTHJBCEW-MRXNPFEDSA-N 1 1 336.395 3.477 50 0 EGAAMO Clc1ccc(-c2ncc(CN3CC[N@H+]4CCC[C@H]4C3)cn2)cc1 ZINC000252587410 455822609 /nfs/dbraw/zinc/82/26/09/455822609.db2.gz YBMBRIKQVFITQK-KRWDZBQOSA-N 1 1 328.847 3.077 50 0 EGAAMO CC(=O)c1cccc(C(=O)NC[C@H]2CC[N@H+](C3CCCCC3)C2)c1 ZINC000222258819 456046207 /nfs/dbraw/zinc/04/62/07/456046207.db2.gz SFTGWZFXKBERJZ-MRXNPFEDSA-N 1 1 328.456 3.274 50 0 EGAAMO COc1ccccc1CCC(=O)NC[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000222721521 456049137 /nfs/dbraw/zinc/04/91/37/456049137.db2.gz WJSHAHQFVOREBN-INIZCTEOSA-N 1 1 330.472 3.009 50 0 EGAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)C[C@H](c1ccsc1)n1cccc1 ZINC000263588845 456178292 /nfs/dbraw/zinc/17/82/92/456178292.db2.gz ZEHYKHOEBGWMCH-IAGOWNOFSA-N 1 1 331.485 3.130 50 0 EGAAMO Cc1cc(C(=O)N[C@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)c(C)n1C ZINC000299774747 456779721 /nfs/dbraw/zinc/77/97/21/456779721.db2.gz IFCZMUMPZLQSIB-SFHVURJKSA-N 1 1 343.446 3.175 50 0 EGAAMO Cc1cc(C(=O)N[C@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)c(C)n1C ZINC000299774747 456779728 /nfs/dbraw/zinc/77/97/28/456779728.db2.gz IFCZMUMPZLQSIB-SFHVURJKSA-N 1 1 343.446 3.175 50 0 EGAAMO O=C(CCCCCn1cccc1)NC[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000409413565 457598328 /nfs/dbraw/zinc/59/83/28/457598328.db2.gz CGAZUJDSSGTXTC-RBUKOAKNSA-N 1 1 331.504 3.429 50 0 biogenic EGAAMO COc1ccc(NC(=O)N(C)C[C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC000409414779 457598408 /nfs/dbraw/zinc/59/84/08/457598408.db2.gz WSQRWASIDFADHL-MAUKXSAKSA-N 1 1 331.460 3.423 50 0 biogenic EGAAMO Cc1cc(C)nc(CN(C)C(=O)NCCC[N@@H+](C)C2CCCC2)c1 ZINC000426435363 457830013 /nfs/dbraw/zinc/83/00/13/457830013.db2.gz JDMTTXQBHPRTES-UHFFFAOYSA-N 1 1 332.492 3.104 50 0 EGAAMO CCn1ccnc1CN(C)C(=O)c1cccc(-c2ccc(C)[nH+]c2N)c1 ZINC000426493156 457842352 /nfs/dbraw/zinc/84/23/52/457842352.db2.gz JLEBAFLGLFISCU-UHFFFAOYSA-N 1 1 349.438 3.128 50 0 EGAAMO CN(Cc1cccs1)C(=O)NCC[N@H+]1CC[C@H](c2ccccc2)C1 ZINC000426521479 457847697 /nfs/dbraw/zinc/84/76/97/457847697.db2.gz QVRXITDYGOKBKI-KRWDZBQOSA-N 1 1 343.496 3.379 50 0 EGAAMO C[C@@H](c1ccc(-c2ccc(Cn3ccnc3)cn2)cc1)[NH+]1CCOCC1 ZINC000426578746 457857553 /nfs/dbraw/zinc/85/75/53/457857553.db2.gz OSGNDLTURVDORH-KRWDZBQOSA-N 1 1 348.450 3.387 50 0 EGAAMO Cc1ocnc1C(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+]1CCCC1 ZINC000534591655 459336317 /nfs/dbraw/zinc/33/63/17/459336317.db2.gz LMRSEWWSNPEUIJ-HNNXBMFYSA-N 1 1 333.819 3.203 50 0 EGAAMO O=C(NCCCc1ccccc1)N[C@@H]1CC[N@@H+](Cc2ccsc2)C1 ZINC000585150080 459831723 /nfs/dbraw/zinc/83/17/23/459831723.db2.gz YZXREHPTPYSABD-GOSISDBHSA-N 1 1 343.496 3.254 50 0 EGAAMO O[C@@]1(c2ccccc2)CC[N@H+](C2CCN(Cc3ccccc3)CC2)C1 ZINC000670445960 548217109 /nfs/dbraw/zinc/21/71/09/548217109.db2.gz CQCOIMLVGBOPAC-QFIPXVFZSA-N 1 1 336.479 3.245 50 0 EGAAMO C[C@@H](C[N@H+]1CCc2ccccc2C1)NC(=O)c1cnc2c(c1)CCCC2 ZINC000670455896 548218396 /nfs/dbraw/zinc/21/83/96/548218396.db2.gz UWXQEBUBVGJKBU-INIZCTEOSA-N 1 1 349.478 3.137 50 0 EGAAMO Cc1[nH+]ccn1-c1ccc(NC(=O)c2cn3cccc(C)c3n2)cc1 ZINC000019227746 1291191924 /nfs/dbraw/zinc/19/19/24/1291191924.db2.gz CHJBMSONXQZKMS-UHFFFAOYSA-N 1 1 331.379 3.389 50 0 EGAAMO OC[C@H]1CCC[N@H+](C2CCN(Cc3cc4ccccc4o3)CC2)C1 ZINC000020600480 1291194444 /nfs/dbraw/zinc/19/44/44/1291194444.db2.gz XBBOCASXRIVUDZ-INIZCTEOSA-N 1 1 328.456 3.102 50 0 EGAAMO CC[N@H+]1CCC[C@@H](c2nccn2Cc2cc(-c3ccccn3)no2)C1 ZINC000072127388 1292275058 /nfs/dbraw/zinc/27/50/58/1292275058.db2.gz XPTQVGCDHOTPDO-OAHLLOKOSA-N 1 1 337.427 3.181 50 0 EGAAMO c1cc([C@@H]2CCCCO2)oc1C[NH+]1CCC(Oc2ncccn2)CC1 ZINC000820408723 1319884481 /nfs/dbraw/zinc/88/44/81/1319884481.db2.gz JUWOBHHCQJHQAZ-KRWDZBQOSA-N 1 1 343.427 3.355 50 0 EGAAMO CCCOc1ccc(NC(=O)[C@@H]2CC[N@@H+](CCOC)C2)cc1Cl ZINC000952872906 1334584499 /nfs/dbraw/zinc/58/44/99/1334584499.db2.gz RKDGXQYZUSKSJX-CYBMUJFWSA-N 1 1 340.851 3.036 50 0 EGAAMO CCOc1ccc2ccccc2c1CNCC[N@@H+]1CCC[C@H](CO)C1 ZINC000952964131 1334625618 /nfs/dbraw/zinc/62/56/18/1334625618.db2.gz MJKUXCPNRRJHJQ-KRWDZBQOSA-N 1 1 342.483 3.032 50 0 EGAAMO CCOc1ccc2ccccc2c1CNCC[N@H+]1CCC[C@H](CO)C1 ZINC000952964131 1334625620 /nfs/dbraw/zinc/62/56/20/1334625620.db2.gz MJKUXCPNRRJHJQ-KRWDZBQOSA-N 1 1 342.483 3.032 50 0 EGAAMO CC[C@@H]1C=CC[N@H+]1Cc1cccc(OC)c1OCCn1ccnc1 ZINC000952992219 1334632274 /nfs/dbraw/zinc/63/22/74/1334632274.db2.gz YPDRQNQLAKIXFP-QGZVFWFLSA-N 1 1 327.428 3.121 50 0 EGAAMO Cc1ccc2cccc(OCCNc3nc(N(C)C)c(C)c[nH+]3)c2n1 ZINC001704338914 1416448829 /nfs/dbraw/zinc/44/88/29/1416448829.db2.gz KMKUUDMGAPWNIO-UHFFFAOYSA-N 1 1 337.427 3.199 50 0 EGAAMO O[C@@H]1C[N@@H+](Cc2cc(C3CCCCC3)no2)C[C@H]1Cc1ccncc1 ZINC001704339098 1416449097 /nfs/dbraw/zinc/44/90/97/1416449097.db2.gz NXEKSLLVOICQTF-YLJYHZDGSA-N 1 1 341.455 3.153 50 0 EGAAMO O=C(c1sccc1Cl)N1CCC[N@H+]([C@@H]2CCSC2)CC1 ZINC001772804264 1441417374 /nfs/dbraw/zinc/41/73/74/1441417374.db2.gz KRHAVFJAVDZYFP-LLVKDONJSA-N 1 1 330.906 3.055 50 0 EGAAMO Cc1c(C[NH2+]Cc2cccnc2Oc2ccccc2F)cnn1C ZINC000055195464 214286302 /nfs/dbraw/zinc/28/63/02/214286302.db2.gz XNYDALRPMVOMBR-UHFFFAOYSA-N 1 1 326.375 3.345 50 0 EGAAMO COc1cccc(CC(=O)NCc2ccc(-n3cc[nH+]c3C)cc2)c1 ZINC000097938044 219059766 /nfs/dbraw/zinc/05/97/66/219059766.db2.gz LGLAWOGPKLBGAS-UHFFFAOYSA-N 1 1 335.407 3.048 50 0 EGAAMO CSc1ccc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](C)C4)cc1 ZINC000004172302 210138439 /nfs/dbraw/zinc/13/84/39/210138439.db2.gz XZMZBIBRSIFFNG-OAHLLOKOSA-N 1 1 345.493 3.312 50 0 EGAAMO CSc1ccc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](C)C4)cc1 ZINC000004172302 210138444 /nfs/dbraw/zinc/13/84/44/210138444.db2.gz XZMZBIBRSIFFNG-OAHLLOKOSA-N 1 1 345.493 3.312 50 0 EGAAMO Cc1nn(C)c(Cl)c1C[NH+]1CCC(Cc2noc(C3CC3)n2)CC1 ZINC000065532672 214949604 /nfs/dbraw/zinc/94/96/04/214949604.db2.gz IZMKXMAWHMYTCP-UHFFFAOYSA-N 1 1 349.866 3.097 50 0 EGAAMO Cc1cc(C)n([C@@H]2CC[N@@H+](Cc3cccc(Cn4cccn4)c3)C2)n1 ZINC000067649795 215173895 /nfs/dbraw/zinc/17/38/95/215173895.db2.gz OOIHLIRAIHUSFN-HXUWFJFHSA-N 1 1 335.455 3.192 50 0 EGAAMO COCc1cc(C[N@H+]2CC[C@@](C)(O)[C@@H](CC(C)C)C2)ccc1OC ZINC000067740377 215198535 /nfs/dbraw/zinc/19/85/35/215198535.db2.gz ICEPHFDDBOBAGZ-AZUAARDMSA-N 1 1 335.488 3.461 50 0 EGAAMO Cc1oc(-c2cccc(Cl)c2)nc1C[N@H+]1CCC(=O)NC[C@@H]1C ZINC000067742467 215200514 /nfs/dbraw/zinc/20/05/14/215200514.db2.gz FYXTVDIMHBTENL-NSHDSACASA-N 1 1 333.819 3.014 50 0 EGAAMO Cc1oc(-c2cccc(Cl)c2)nc1C[N@@H+]1CCC(=O)NC[C@@H]1C ZINC000067742467 215200517 /nfs/dbraw/zinc/20/05/17/215200517.db2.gz FYXTVDIMHBTENL-NSHDSACASA-N 1 1 333.819 3.014 50 0 EGAAMO C[N@@H+](Cc1ccc2nsnc2c1)Cc1cc2ccccc2[nH]c1=O ZINC000067756766 215204874 /nfs/dbraw/zinc/20/48/74/215204874.db2.gz PUWHYGSIIKVQGE-UHFFFAOYSA-N 1 1 336.420 3.165 50 0 EGAAMO CC(C)(C)OC(=O)NC1CC[NH+](Cc2cccc(F)c2F)CC1 ZINC000067801022 215214582 /nfs/dbraw/zinc/21/45/82/215214582.db2.gz LPRFTFCMTCCAEL-UHFFFAOYSA-N 1 1 326.387 3.454 50 0 EGAAMO Cc1ccc(C(N)=O)c(Oc2cc(F)c(C[NH+]3CCCC3)c(F)c2)n1 ZINC000067817669 215220310 /nfs/dbraw/zinc/22/03/10/215220310.db2.gz XSBDCOYGTXSMRY-UHFFFAOYSA-N 1 1 347.365 3.155 50 0 EGAAMO Cc1ccc([C@H](CNC(=O)c2c(F)cccc2F)[NH+]2CCCC2)o1 ZINC000069389543 215397917 /nfs/dbraw/zinc/39/79/17/215397917.db2.gz MDLUJINXKRCZQX-HNNXBMFYSA-N 1 1 334.366 3.433 50 0 EGAAMO CCc1nnc(C[N@H+]2CC[C@@](O)(c3ccccc3)[C@H]3CCCC[C@@H]32)o1 ZINC000072131785 216020095 /nfs/dbraw/zinc/02/00/95/216020095.db2.gz GVHOKSDCFYCVIP-ABSDTBQOSA-N 1 1 341.455 3.284 50 0 EGAAMO CCn1nc(C)c(C[N@H+]2CCC[C@]3(C2)c2ccccc2NC3=O)c1C ZINC000072125654 216016310 /nfs/dbraw/zinc/01/63/10/216016310.db2.gz ZWCVZXGTIFABJQ-FQEVSTJZSA-N 1 1 338.455 3.006 50 0 EGAAMO CN1C[C@]2(CCC[N@@H+](CCCCOCc3ccccc3)CC2)OC1=O ZINC000072140285 216026100 /nfs/dbraw/zinc/02/61/00/216026100.db2.gz OYASFUUPMCACEC-HXUWFJFHSA-N 1 1 346.471 3.290 50 0 EGAAMO c1ccc(CO[C@H]2CCC[N@@H+](Cc3ccc4c(c3)OCCO4)C2)nc1 ZINC000072142994 216029094 /nfs/dbraw/zinc/02/90/94/216029094.db2.gz GITKBMAPRDSQAZ-SFHVURJKSA-N 1 1 340.423 3.034 50 0 EGAAMO CSc1cccc(C[N@H+]2CCC[C@H](c3cc(=O)[nH]c(C)n3)C2)c1 ZINC000072150779 216039636 /nfs/dbraw/zinc/03/96/36/216039636.db2.gz JIQVSACUNBPJFI-HNNXBMFYSA-N 1 1 329.469 3.180 50 0 EGAAMO C[C@H]1Cc2cc(C[N@H+]3CCCN(Cc4ccncc4)CC3)ccc2O1 ZINC000072163538 216052083 /nfs/dbraw/zinc/05/20/83/216052083.db2.gz YWSFRDLXHLUIFZ-KRWDZBQOSA-N 1 1 337.467 3.113 50 0 EGAAMO C[C@H]1Cc2cc(CN3CCC[N@H+](Cc4ccncc4)CC3)ccc2O1 ZINC000072163538 216052087 /nfs/dbraw/zinc/05/20/87/216052087.db2.gz YWSFRDLXHLUIFZ-KRWDZBQOSA-N 1 1 337.467 3.113 50 0 EGAAMO C[C@H]1Cc2cc(CN3CCC[N@@H+](Cc4ccncc4)CC3)ccc2O1 ZINC000072163538 216052089 /nfs/dbraw/zinc/05/20/89/216052089.db2.gz YWSFRDLXHLUIFZ-KRWDZBQOSA-N 1 1 337.467 3.113 50 0 EGAAMO O=C1CC[C@H]2C[N@@H+](Cc3ccoc3)CC[C@H]2N1CCc1cccs1 ZINC000072411192 216203734 /nfs/dbraw/zinc/20/37/34/216203734.db2.gz JFXIXRFDUAKGTD-FUHWJXTLSA-N 1 1 344.480 3.397 50 0 EGAAMO Cc1cc2nc(C)cc(NC[C@H]3CCC[N@@H+](Cc4ccco4)C3)n2n1 ZINC000072432077 216224613 /nfs/dbraw/zinc/22/46/13/216224613.db2.gz PEGWQQXXZJENAX-MRXNPFEDSA-N 1 1 339.443 3.263 50 0 EGAAMO COc1cc(C[N@H+]2CCC[C@H](C(=O)Cc3ccccc3)C2)ccc1O ZINC000072462874 216244855 /nfs/dbraw/zinc/24/48/55/216244855.db2.gz GCZWCHNFQGSANV-SFHVURJKSA-N 1 1 339.435 3.425 50 0 EGAAMO CCn1cc(C[N@H+]2CCCC23CCN(c2cccc(C)n2)CC3)cn1 ZINC000072463433 216245093 /nfs/dbraw/zinc/24/50/93/216245093.db2.gz YCQVYJNDVQRWOZ-UHFFFAOYSA-N 1 1 339.487 3.241 50 0 EGAAMO O=C1CC[C@H]2C[N@H+](C3CCOCC3)CC[C@H]2N1CCC1=CCCCC1 ZINC000072480904 216259695 /nfs/dbraw/zinc/25/96/95/216259695.db2.gz UGTSEHCAUKBXRX-AZUAARDMSA-N 1 1 346.515 3.369 50 0 EGAAMO CCn1ncnc1C[N@@H+]1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000215144379 241107404 /nfs/dbraw/zinc/10/74/04/241107404.db2.gz IINGCRVEJHKMEE-CYBMUJFWSA-N 1 1 327.457 3.287 50 0 EGAAMO CCn1ncnc1C[N@H+]1CCC[C@@H](c2nc3ccccc3s2)C1 ZINC000215144379 241107412 /nfs/dbraw/zinc/10/74/12/241107412.db2.gz IINGCRVEJHKMEE-CYBMUJFWSA-N 1 1 327.457 3.287 50 0 EGAAMO Cc1cc(CN2CCN(C)CC2)c(C)c(C[N@H+]2CCC[C@@H](C)C2)c1 ZINC000215137592 241110027 /nfs/dbraw/zinc/11/00/27/241110027.db2.gz XFROIUOZZLPLOR-QGZVFWFLSA-N 1 1 329.532 3.283 50 0 EGAAMO Cc1cc(CN2CCN(C)CC2)c(C)c(C[N@@H+]2CCC[C@@H](C)C2)c1 ZINC000215137592 241110036 /nfs/dbraw/zinc/11/00/36/241110036.db2.gz XFROIUOZZLPLOR-QGZVFWFLSA-N 1 1 329.532 3.283 50 0 EGAAMO COc1cc(SC)c(OC)cc1C[N@@H+](C)[C@H](C)Cc1cnccn1 ZINC000215296983 241117654 /nfs/dbraw/zinc/11/76/54/241117654.db2.gz SVQYJGMCLBKJNY-CYBMUJFWSA-N 1 1 347.484 3.279 50 0 EGAAMO C[C@@H](c1ccc(-c2nccnc2N2CCCC2)cc1)[NH+]1CCOCC1 ZINC000215697614 241140484 /nfs/dbraw/zinc/14/04/84/241140484.db2.gz UUZQZVFYTGOGDJ-INIZCTEOSA-N 1 1 338.455 3.137 50 0 EGAAMO Cc1ccc(-c2cccc(C[N@H+]3CCC[C@](CO)(CN(C)C)C3)c2)o1 ZINC000216104023 241164720 /nfs/dbraw/zinc/16/47/20/241164720.db2.gz VMCZTGZIRSDWGR-NRFANRHFSA-N 1 1 342.483 3.391 50 0 EGAAMO Cc1ccc(-c2cccc(C[N@@H+]3CCC[C@](CO)(CN(C)C)C3)c2)o1 ZINC000216104023 241164726 /nfs/dbraw/zinc/16/47/26/241164726.db2.gz VMCZTGZIRSDWGR-NRFANRHFSA-N 1 1 342.483 3.391 50 0 EGAAMO CC(=O)N[C@@H]1CC[N@@H+](Cc2ccc(OCCc3ccccc3)cc2)C1 ZINC000216171481 241170160 /nfs/dbraw/zinc/17/01/60/241170160.db2.gz XIRDHCDCXQVTNN-HXUWFJFHSA-N 1 1 338.451 3.019 50 0 EGAAMO COC[C@H]1CC[N@@H+](Cc2cnc(SCc3ccccc3)nc2)C1 ZINC000216486316 241193682 /nfs/dbraw/zinc/19/36/82/241193682.db2.gz QJBOSSGAEBCUAM-INIZCTEOSA-N 1 1 329.469 3.237 50 0 EGAAMO Cc1[nH+]ccn1CC[C@@H]1CCCCN1C(=O)CCOc1ccccc1 ZINC000218986628 241357940 /nfs/dbraw/zinc/35/79/40/241357940.db2.gz SIQGBBULNUZHEZ-SFHVURJKSA-N 1 1 341.455 3.432 50 0 EGAAMO CCOc1ccc(C(=O)NC[C@H](c2ccccc2OC)[NH+](C)C)cc1 ZINC000021322146 212221227 /nfs/dbraw/zinc/22/12/27/212221227.db2.gz SBARQHAMCBNWFQ-GOSISDBHSA-N 1 1 342.439 3.127 50 0 biogenic EGAAMO COc1ccc(CCN(C)[C@H]2CCC[N@@H+](CC(C)C)C2)cc1OC ZINC000020998946 212197538 /nfs/dbraw/zinc/19/75/38/212197538.db2.gz QFFLUGVGLYTFMB-SFHVURJKSA-N 1 1 334.504 3.299 50 0 EGAAMO COc1ccc(CC[N@H+](C)[C@H]2CCCN(CC(C)C)C2)cc1OC ZINC000020998946 212197542 /nfs/dbraw/zinc/19/75/42/212197542.db2.gz QFFLUGVGLYTFMB-SFHVURJKSA-N 1 1 334.504 3.299 50 0 EGAAMO COc1ccc(CC[N@@H+](C)[C@H]2CCCN(CC(C)C)C2)cc1OC ZINC000020998946 212197544 /nfs/dbraw/zinc/19/75/44/212197544.db2.gz QFFLUGVGLYTFMB-SFHVURJKSA-N 1 1 334.504 3.299 50 0 EGAAMO CC(C)[C@@H]1c2[nH]c3ccccc3c2CC[N@H+]1CCN1CCCC1=O ZINC000244716317 243066843 /nfs/dbraw/zinc/06/68/43/243066843.db2.gz LMWCCRRARCOSTK-HXUWFJFHSA-N 1 1 325.456 3.346 50 0 EGAAMO CC(C)[C@@H]1c2[nH]c3ccccc3c2CC[N@@H+]1CCN1CCCC1=O ZINC000244716317 243066851 /nfs/dbraw/zinc/06/68/51/243066851.db2.gz LMWCCRRARCOSTK-HXUWFJFHSA-N 1 1 325.456 3.346 50 0 EGAAMO CCOc1ccc([C@@H](O)[C@@H](C[NH+]2CCOCC2)c2ccccc2)cc1 ZINC000020791871 212172391 /nfs/dbraw/zinc/17/23/91/212172391.db2.gz RTHRSTWGVRVJQO-LEWJYISDSA-N 1 1 341.451 3.235 50 0 EGAAMO OCC[C@@H]1CN(Cc2cc3ccccc3[nH]2)CC[N@H+]1C1CCCCC1 ZINC000020540924 212145209 /nfs/dbraw/zinc/14/52/09/212145209.db2.gz ZHTYOEOMAGSGRF-HXUWFJFHSA-N 1 1 341.499 3.369 50 0 EGAAMO O=C(CSc1ccccc1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000020472543 212134853 /nfs/dbraw/zinc/13/48/53/212134853.db2.gz LUOYXNIFWMPANG-UHFFFAOYSA-N 1 1 340.492 3.166 50 0 EGAAMO C[NH+]1CCN(CC(=O)N2c3ccccc3C=Cc3ccccc32)CC1 ZINC000019855654 212076125 /nfs/dbraw/zinc/07/61/25/212076125.db2.gz RSPCOYLMAYJEOZ-UHFFFAOYSA-N 1 1 333.435 3.083 50 0 EGAAMO CC(C)n1cc(C(=O)NC[C@@H](c2ccccc2F)[NH+]2CCCC2)cn1 ZINC000077485243 216916975 /nfs/dbraw/zinc/91/69/75/216916975.db2.gz GVCCFJRUSXYUPQ-SFHVURJKSA-N 1 1 344.434 3.170 50 0 EGAAMO Brc1ccc(CN2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000019536199 212039088 /nfs/dbraw/zinc/03/90/88/212039088.db2.gz NLIUMQRIFSSWSQ-UHFFFAOYSA-N 1 1 335.245 3.360 50 0 EGAAMO O=C(CCn1ccc2ccccc21)NC[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000079191769 217201024 /nfs/dbraw/zinc/20/10/24/217201024.db2.gz ZZBPFLZSVBWXMG-AZUAARDMSA-N 1 1 339.483 3.412 50 0 biogenic EGAAMO CCOC(=O)[C@]1(CCOC)CCC[N@@H+](C/C(C)=C/c2ccco2)C1 ZINC000012387552 211364668 /nfs/dbraw/zinc/36/46/68/211364668.db2.gz FTGIKTFLROCENR-XAVZPLJISA-N 1 1 335.444 3.365 50 0 EGAAMO CCCO[C@@H]1CCC[N@H+](Cc2nc(-c3ccc(OC)cc3)no2)C1 ZINC000012056800 211283978 /nfs/dbraw/zinc/28/39/78/211283978.db2.gz IATMTFVQVIZMPT-MRXNPFEDSA-N 1 1 331.416 3.136 50 0 EGAAMO CCCO[C@@H]1CCC[N@@H+](Cc2nc(-c3ccc(OC)cc3)no2)C1 ZINC000012056800 211283987 /nfs/dbraw/zinc/28/39/87/211283987.db2.gz IATMTFVQVIZMPT-MRXNPFEDSA-N 1 1 331.416 3.136 50 0 EGAAMO O=C1N(C2CCCCC2)CCC[C@]12CC[N@@H+](Cc1ccncc1)C2 ZINC000091486441 218013274 /nfs/dbraw/zinc/01/32/74/218013274.db2.gz OQUXPOJNKXDTAG-HXUWFJFHSA-N 1 1 327.472 3.229 50 0 EGAAMO Cc1c(C(=O)N2CCC[N@H+]3CCC[C@H]3C2)[nH]c2c1c(C)ccc2C ZINC000091550491 218019931 /nfs/dbraw/zinc/01/99/31/218019931.db2.gz YMYMVVUBQIDERL-INIZCTEOSA-N 1 1 325.456 3.403 50 0 EGAAMO O=c1cc(C[NH+]2CCC(C(F)(F)F)CC2)[nH]c2ccc(F)cc12 ZINC000091551470 218021371 /nfs/dbraw/zinc/02/13/71/218021371.db2.gz AXKWYLXAULPYQO-UHFFFAOYSA-N 1 1 328.309 3.442 50 0 EGAAMO c1ccc(CCc2nnc3n2CC[N@H+](C[C@@H]2CC=CCC2)CC3)cc1 ZINC000011842131 211255693 /nfs/dbraw/zinc/25/56/93/211255693.db2.gz HXRBBISUTIYSEO-LJQANCHMSA-N 1 1 336.483 3.278 50 0 EGAAMO O=C(CC[C@@H]1CCC[N@@H+](Cc2c[nH]c3ccccc23)C1)NC1CC1 ZINC000011844391 211255493 /nfs/dbraw/zinc/25/54/93/211255493.db2.gz CWQHCINOBKSFQD-HNNXBMFYSA-N 1 1 325.456 3.439 50 0 EGAAMO Fc1ccc(N[C@@H]2CCC[N@@H+](Cc3ccc4nonc4c3)C2)cc1 ZINC000011843218 211255295 /nfs/dbraw/zinc/25/52/95/211255295.db2.gz NPLPIUIWJHZSPF-MRXNPFEDSA-N 1 1 326.375 3.438 50 0 EGAAMO Cc1cnc(C)c(N2CCC[C@@H](c3[nH+]ccn3Cc3cccnc3)C2)n1 ZINC000091651657 218040874 /nfs/dbraw/zinc/04/08/74/218040874.db2.gz ONEFGSQGJYXDSS-GOSISDBHSA-N 1 1 348.454 3.117 50 0 EGAAMO OCCOc1ccc(C[N@H+]2CCC[C@H](Nc3ccc(F)cc3)C2)cc1 ZINC000011753760 211243663 /nfs/dbraw/zinc/24/36/63/211243663.db2.gz NPDCPFGHMINOCC-IBGZPJMESA-N 1 1 344.430 3.273 50 0 EGAAMO c1c2ccccc2oc1C[N@H+]1C[C@H]2CC[C@@H]1CN(c1cnccn1)C2 ZINC000091725726 218054867 /nfs/dbraw/zinc/05/48/67/218054867.db2.gz HXUKLRWLUJODHD-NVXWUHKLSA-N 1 1 334.423 3.324 50 0 EGAAMO CC(=O)N[C@@H]1C[N@@H+](Cc2ccc3ccccc3n2)C[C@H]1c1ccc(C)o1 ZINC000091908509 218088036 /nfs/dbraw/zinc/08/80/36/218088036.db2.gz ZFOROTKXFFYDAN-UYAOXDASSA-N 1 1 349.434 3.240 50 0 EGAAMO COCC[C@]1(CO)CCC[N@@H+](Cc2ccc3c(c2)CC(C)(C)O3)C1 ZINC000092082024 218117823 /nfs/dbraw/zinc/11/78/23/218117823.db2.gz ZYWCQOGYAWBMCX-HXUWFJFHSA-N 1 1 333.472 3.011 50 0 EGAAMO C[N@@H+](CCCn1cccn1)C1CCN(c2nc3ccccc3o2)CC1 ZINC000095354324 218288015 /nfs/dbraw/zinc/28/80/15/218288015.db2.gz FAWLPWHWJSQDME-UHFFFAOYSA-N 1 1 339.443 3.015 50 0 EGAAMO Cc1cccc([C@H](C(=O)N(C)Cc2cc(C(C)(C)C)n[nH]2)[NH+](C)C)c1 ZINC000095366695 218299172 /nfs/dbraw/zinc/29/91/72/218299172.db2.gz AWHAYKRIRASORG-GOSISDBHSA-N 1 1 342.487 3.277 50 0 EGAAMO C[NH+](C)[C@@H](C(=O)N(Cc1ccc(O)cc1)C1CC1)c1cccc(F)c1 ZINC000095368944 218301751 /nfs/dbraw/zinc/30/17/51/218301751.db2.gz LWUJQPIDFHWBKD-LJQANCHMSA-N 1 1 342.414 3.325 50 0 EGAAMO Fc1cccnc1N1CCC[C@@H](c2[nH+]ccn2Cc2ccccn2)C1 ZINC000095388208 218320220 /nfs/dbraw/zinc/32/02/20/218320220.db2.gz VPCRNRNBZUKQKZ-OAHLLOKOSA-N 1 1 337.402 3.245 50 0 EGAAMO CC[N@H+]1CCCC[C@@H]1C(=O)NCc1cccc(OC(F)(F)F)c1 ZINC000097499529 219030738 /nfs/dbraw/zinc/03/07/38/219030738.db2.gz LVDJLDLSMBHXMM-CQSZACIVSA-N 1 1 330.350 3.076 50 0 EGAAMO COc1ccc(C[N@H+]2CC[C@]3(OC)CC[C@@H](OCC4CC4)C[C@H]23)cn1 ZINC000426622944 257960888 /nfs/dbraw/zinc/96/08/88/257960888.db2.gz MMXFCXONGQSMIA-WSTZPKSXSA-N 1 1 346.471 3.029 50 0 EGAAMO CC(=O)c1ccc(C(=O)NC[C@H]2CC[N@H+](C3CCCCC3)C2)cc1 ZINC000299781556 258090129 /nfs/dbraw/zinc/09/01/29/258090129.db2.gz OOOQBPJUNZASCE-MRXNPFEDSA-N 1 1 328.456 3.274 50 0 EGAAMO CN(C[C@H]1CC[N@@H+](C)C1(C)C)C(=O)Cc1ccc(C(F)(F)F)cc1 ZINC000299781891 258090823 /nfs/dbraw/zinc/09/08/23/258090823.db2.gz IKSTYFMXVQKUNS-OAHLLOKOSA-N 1 1 342.405 3.437 50 0 EGAAMO O=C(Nc1cccc2n[nH]cc21)N1CCC[N@H+](C2CCCCC2)CC1 ZINC000299788889 258095223 /nfs/dbraw/zinc/09/52/23/258095223.db2.gz WXEPLPZVXNHCKI-UHFFFAOYSA-N 1 1 341.459 3.435 50 0 EGAAMO C[N@H+](Cc1nc2ccccc2o1)C[C@H]1CC(=O)N(c2ccccc2)C1 ZINC000299795303 258099663 /nfs/dbraw/zinc/09/96/63/258099663.db2.gz LKVONRGSRBOBKG-OAHLLOKOSA-N 1 1 335.407 3.313 50 0 EGAAMO O=C(Cn1ccc2ccc(F)cc21)NC[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000169680665 258070633 /nfs/dbraw/zinc/07/06/33/258070633.db2.gz AWJAWEHNGOOJNY-AEFFLSMTSA-N 1 1 343.446 3.161 50 0 EGAAMO O=C([C@H]1C[C@@H](c2ccccc2)[N@H+]2CCC[C@H]12)N1CCC(F)(F)CC1 ZINC000299755989 258074189 /nfs/dbraw/zinc/07/41/89/258074189.db2.gz GVTVAUHYYRAIBZ-BBWFWOEESA-N 1 1 334.410 3.470 50 0 EGAAMO CO[C@]12CC[N@@H+](Cc3cncn3C3CC3)[C@H]1C[C@H](OCC1CC1)CC2 ZINC000299757033 258074929 /nfs/dbraw/zinc/07/49/29/258074929.db2.gz HMCCNFNHQPAXFM-HSALFYBXSA-N 1 1 345.487 3.157 50 0 EGAAMO CC[C@@H](C(=O)NC1CCCCC1)[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000057291795 132199296 /nfs/dbraw/zinc/19/92/96/132199296.db2.gz CILUUOFIYASNEE-IBGZPJMESA-N 1 1 347.478 3.175 50 0 EGAAMO CSc1ncc(C[N@@H+]2CCCN(c3ccccc3C)CC2)cn1 ZINC000072126387 274189969 /nfs/dbraw/zinc/18/99/69/274189969.db2.gz YBKZYVQISUNOBZ-UHFFFAOYSA-N 1 1 328.485 3.219 50 0 EGAAMO CSc1ncc(C[N@H+]2CCCN(c3ccccc3C)CC2)cn1 ZINC000072126387 274189972 /nfs/dbraw/zinc/18/99/72/274189972.db2.gz YBKZYVQISUNOBZ-UHFFFAOYSA-N 1 1 328.485 3.219 50 0 EGAAMO CCC[N@H+](Cc1cc(OC)ccc1-n1cccn1)C[C@H]1CCCO1 ZINC000215087462 276001448 /nfs/dbraw/zinc/00/14/48/276001448.db2.gz UNCJVSLUTVSCIT-GOSISDBHSA-N 1 1 329.444 3.272 50 0 EGAAMO C[N@@H+]1CCCN(C(=O)c2sc3cccc(F)c3c2Cl)CC1 ZINC000006731580 277051214 /nfs/dbraw/zinc/05/12/14/277051214.db2.gz OLSCLRHEEGWJBU-UHFFFAOYSA-N 1 1 326.824 3.472 50 0 EGAAMO C[N@H+]1CCCN(C(=O)c2sc3cccc(F)c3c2Cl)CC1 ZINC000006731580 277051215 /nfs/dbraw/zinc/05/12/15/277051215.db2.gz OLSCLRHEEGWJBU-UHFFFAOYSA-N 1 1 326.824 3.472 50 0 EGAAMO Cc1nc[nH]c1C[N@H+]1CCC[C@H](c2n[nH]cc2Cc2ccccc2)C1 ZINC000077537874 280187346 /nfs/dbraw/zinc/18/73/46/280187346.db2.gz PIWJJWFYFLCJEI-KRWDZBQOSA-N 1 1 335.455 3.412 50 0 EGAAMO C[C@H]1CCC[N@@H+](CCC(=O)N(C)C[C@H]2CCN(c3ccccc3)C2)C1 ZINC000244678899 455275500 /nfs/dbraw/zinc/27/55/00/455275500.db2.gz ILZRYQYMGSQCGN-RBUKOAKNSA-N 1 1 343.515 3.093 50 0 EGAAMO CC(C)=CCC[C@@]1(C)OC(=O)N(CCCn2cc[nH+]c2C)[C@]1(C)O ZINC000000110698 452510391 /nfs/dbraw/zinc/51/03/91/452510391.db2.gz YKFPHCVRHUWONI-QZTJIDSGSA-N 1 1 335.448 3.247 50 0 EGAAMO COc1ccc(C[NH+]2CCN(c3ccccc3F)CC2)c(OC)c1C ZINC000000201623 452533646 /nfs/dbraw/zinc/53/36/46/452533646.db2.gz CNTVLRYCBORIRX-UHFFFAOYSA-N 1 1 344.430 3.474 50 0 EGAAMO Nc1ccc[nH+]c1NCCNc1ncc(C(F)(F)F)cc1Cl ZINC000002388242 452695501 /nfs/dbraw/zinc/69/55/01/452695501.db2.gz QFRAHFVNXBUADD-UHFFFAOYSA-N 1 1 331.729 3.255 50 0 EGAAMO COc1ccc([C@H]2C3=C([NH+]=C4N=CNN42)c2cc(C)ccc2OC3)cc1 ZINC000005576060 452886016 /nfs/dbraw/zinc/88/60/16/452886016.db2.gz DINGBBOOUHIWKV-IBGZPJMESA-N 1 1 346.390 3.067 50 0 EGAAMO COc1c(C)cc(C(=O)[C@@H]2CCC[N@H+](Cc3cnn(C)c3)C2)cc1C ZINC000012714611 453392777 /nfs/dbraw/zinc/39/27/77/453392777.db2.gz YZPQJMCHOFAYHO-QGZVFWFLSA-N 1 1 341.455 3.140 50 0 EGAAMO COc1c(C)cc(C(=O)[C@@H]2CCC[N@@H+](Cc3cnn(C)c3)C2)cc1C ZINC000012714611 453392785 /nfs/dbraw/zinc/39/27/85/453392785.db2.gz YZPQJMCHOFAYHO-QGZVFWFLSA-N 1 1 341.455 3.140 50 0 EGAAMO Nc1nc(=S)[nH]c2sc3c(c21)CC[N@H+](Cc1ccccc1)C3 ZINC000018054417 453642159 /nfs/dbraw/zinc/64/21/59/453642159.db2.gz HGBNCIBYWDYMKA-UHFFFAOYSA-N 1 1 328.466 3.494 50 0 EGAAMO Cc1ccc(C)c(C(=O)N2CCCC[C@H]2CC[NH+]2CCOCC2)c1 ZINC000082097352 453924134 /nfs/dbraw/zinc/92/41/34/453924134.db2.gz DGMLAOMOUPCIDY-SFHVURJKSA-N 1 1 330.472 3.020 50 0 EGAAMO Cc1ccc(-c2c[nH]nc2[C@H]2CCCN(c3cc[nH+]c(N)n3)C2)cc1 ZINC000067433170 453930628 /nfs/dbraw/zinc/93/06/28/453930628.db2.gz HZCHMWXKKUPHDF-HNNXBMFYSA-N 1 1 334.427 3.141 50 0 EGAAMO CC(C)CCN1C[C@]2(CCC[N@H+](Cc3cscn3)C2)CCC1=O ZINC000077321461 454091146 /nfs/dbraw/zinc/09/11/46/454091146.db2.gz DBHHYGJVOOJMFU-GOSISDBHSA-N 1 1 335.517 3.394 50 0 EGAAMO CC(C)CCN1C[C@]2(CCC[N@@H+](Cc3cscn3)C2)CCC1=O ZINC000077321461 454091149 /nfs/dbraw/zinc/09/11/49/454091149.db2.gz DBHHYGJVOOJMFU-GOSISDBHSA-N 1 1 335.517 3.394 50 0 EGAAMO CN(C[C@@H]1Cc2ccccc2C[N@H+]1C)C(=O)c1cccc(Cl)c1 ZINC000077422452 454104729 /nfs/dbraw/zinc/10/47/29/454104729.db2.gz CIEGJSLPCNSILT-SFHVURJKSA-N 1 1 328.843 3.469 50 0 EGAAMO Cc1ccc([C@@H]2C[N@@H+](Cc3cccc(C)n3)C[C@H]2NC(=O)C2CC2)cc1 ZINC000077504601 454115168 /nfs/dbraw/zinc/11/51/68/454115168.db2.gz PTRVYHNHMFRLLC-LEWJYISDSA-N 1 1 349.478 3.193 50 0 EGAAMO Cc1ccc(CCC(=O)N2CCCC[C@H]2CC[NH+]2CCOCC2)cc1 ZINC000077538023 454119691 /nfs/dbraw/zinc/11/96/91/454119691.db2.gz MNJKQHUFMZORJD-FQEVSTJZSA-N 1 1 344.499 3.031 50 0 EGAAMO O=C(COc1cccc(F)c1)N1CCC[N@H+](C2CCCCC2)CC1 ZINC000077554071 454122314 /nfs/dbraw/zinc/12/23/14/454122314.db2.gz PVSSCRQSUXNLJK-UHFFFAOYSA-N 1 1 334.435 3.072 50 0 EGAAMO CC(C)[C@H]1C[N@@H+](CCc2cn[nH]c2)CCCN1Cc1ccc(F)cc1 ZINC000071708090 454210159 /nfs/dbraw/zinc/21/01/59/454210159.db2.gz UUYHSTFBBJFGRY-HXUWFJFHSA-N 1 1 344.478 3.324 50 0 EGAAMO CC(C)[C@H]1CN(CCc2cn[nH]c2)CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000071708090 454210164 /nfs/dbraw/zinc/21/01/64/454210164.db2.gz UUYHSTFBBJFGRY-HXUWFJFHSA-N 1 1 344.478 3.324 50 0 EGAAMO CC(C)[C@H]1CN(CCc2cn[nH]c2)CCC[N@H+]1Cc1ccc(F)cc1 ZINC000071708090 454210167 /nfs/dbraw/zinc/21/01/67/454210167.db2.gz UUYHSTFBBJFGRY-HXUWFJFHSA-N 1 1 344.478 3.324 50 0 EGAAMO O=C1CCCN1[C@H]1CCC[N@H+](CC2=Cc3cc(Cl)ccc3OC2)C1 ZINC000071750345 454212933 /nfs/dbraw/zinc/21/29/33/454212933.db2.gz GVNAGQDGYSXZRS-KRWDZBQOSA-N 1 1 346.858 3.203 50 0 EGAAMO COc1ccc([C@@H]2C[N@@H+](C3CCCC3)[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000071762958 454215429 /nfs/dbraw/zinc/21/54/29/454215429.db2.gz NRGVCHPSVVPXNK-PWRODBHTSA-N 1 1 326.484 3.500 50 0 EGAAMO C[C@H]1CCCC[N@H+]1Cc1cccc(NC(=O)NCC2(C)COC2)c1 ZINC000095500883 454222342 /nfs/dbraw/zinc/22/23/42/454222342.db2.gz JUMWHNGBJIEJNX-HNNXBMFYSA-N 1 1 331.460 3.219 50 0 EGAAMO Cc1cc(C)nc(N2CCC[C@@H](c3[nH+]ccn3Cc3cccnc3)C2)n1 ZINC000095511416 454225535 /nfs/dbraw/zinc/22/55/35/454225535.db2.gz VBCOFENSILKCEA-GOSISDBHSA-N 1 1 348.454 3.117 50 0 EGAAMO COCCC[N@@H+](Cc1cccc2ncccc12)C1CCN(C)CC1 ZINC000072430437 454296321 /nfs/dbraw/zinc/29/63/21/454296321.db2.gz NOOKYBBZTHERJP-UHFFFAOYSA-N 1 1 327.472 3.168 50 0 EGAAMO Cc1ccc(NC[C@@H]2CC[N@H+](Cc3nc(-c4ccccc4)no3)C2)nc1 ZINC000097200763 454422834 /nfs/dbraw/zinc/42/28/34/454422834.db2.gz ATXOQSVETBCFET-INIZCTEOSA-N 1 1 349.438 3.374 50 0 EGAAMO Cc1ccc(NC[C@@H]2CC[N@@H+](Cc3nc(-c4ccccc4)no3)C2)nc1 ZINC000097200763 454422837 /nfs/dbraw/zinc/42/28/37/454422837.db2.gz ATXOQSVETBCFET-INIZCTEOSA-N 1 1 349.438 3.374 50 0 EGAAMO C[C@H](CN1CCc2ccccc2C1)[NH2+]Cc1nnc(-c2ccccc2)o1 ZINC000065373587 454554679 /nfs/dbraw/zinc/55/46/79/454554679.db2.gz VHNICXPVDOQCFN-MRXNPFEDSA-N 1 1 348.450 3.273 50 0 EGAAMO C[C@H](C[N@@H+]1CCc2ccccc2C1)NCc1nnc(-c2ccccc2)o1 ZINC000065373587 454554682 /nfs/dbraw/zinc/55/46/82/454554682.db2.gz VHNICXPVDOQCFN-MRXNPFEDSA-N 1 1 348.450 3.273 50 0 EGAAMO C[C@H](C[N@H+]1CCc2ccccc2C1)NCc1nnc(-c2ccccc2)o1 ZINC000065373587 454554686 /nfs/dbraw/zinc/55/46/86/454554686.db2.gz VHNICXPVDOQCFN-MRXNPFEDSA-N 1 1 348.450 3.273 50 0 EGAAMO Cc1cc(C[NH+]2CCC(C)CC2)c(C)c([C@H]2NCCc3nc[nH]c32)c1 ZINC000065397282 454560621 /nfs/dbraw/zinc/56/06/21/454560621.db2.gz NEEXSKXZZIKUNV-HXUWFJFHSA-N 1 1 338.499 3.494 50 0 EGAAMO CC(=O)Nc1ccnn1CC1=CCC[N@@H+](Cc2cc(C)cc(C)c2)C1 ZINC000065409015 454561955 /nfs/dbraw/zinc/56/19/55/454561955.db2.gz BLARWWOFXCVNQS-UHFFFAOYSA-N 1 1 338.455 3.291 50 0 EGAAMO c1coc(-c2noc(C[NH2+]CCOc3cccc4cccnc43)n2)c1 ZINC000065422090 454564201 /nfs/dbraw/zinc/56/42/01/454564201.db2.gz UISATZJAZYWIKQ-UHFFFAOYSA-N 1 1 336.351 3.046 50 0 EGAAMO Cc1ccc(C[N@@H+]2CCN(c3ncccc3Cl)C[C@H]2CCO)cc1 ZINC000106985056 454737026 /nfs/dbraw/zinc/73/70/26/454737026.db2.gz VXMQLWPDURYMBP-QGZVFWFLSA-N 1 1 345.874 3.117 50 0 EGAAMO Cc1ccc(C[N@H+]2CCN(c3ncccc3Cl)C[C@H]2CCO)cc1 ZINC000106985056 454737028 /nfs/dbraw/zinc/73/70/28/454737028.db2.gz VXMQLWPDURYMBP-QGZVFWFLSA-N 1 1 345.874 3.117 50 0 EGAAMO COc1ccc(CN(C)CC[N@H+]2C[C@H]3CC[C@@H]2C3)c2cccnc12 ZINC000252485524 455809911 /nfs/dbraw/zinc/80/99/11/455809911.db2.gz GXQHEMSMCVPCHL-DOTOQJQBSA-N 1 1 325.456 3.160 50 0 EGAAMO COc1cccc2[nH]c(C(=O)NC[C@H]3CCC[N@H+]4CCCC[C@H]34)cc21 ZINC000252522893 455820123 /nfs/dbraw/zinc/82/01/23/455820123.db2.gz BJBIPMBBRIDQLP-RDTXWAMCSA-N 1 1 341.455 3.171 50 0 EGAAMO Cc1ccc(-c2cccc(C[N@@H+]3CCCn4nc(CO)cc4C3)c2)o1 ZINC000220098788 456037967 /nfs/dbraw/zinc/03/79/67/456037967.db2.gz JXNIVHONEMIKBQ-UHFFFAOYSA-N 1 1 337.423 3.350 50 0 EGAAMO Cc1ccc(-c2cccc(C[N@H+]3CCCn4nc(CO)cc4C3)c2)o1 ZINC000220098788 456037972 /nfs/dbraw/zinc/03/79/72/456037972.db2.gz JXNIVHONEMIKBQ-UHFFFAOYSA-N 1 1 337.423 3.350 50 0 EGAAMO O=C(NCCc1nccs1)[C@H](c1ccc(F)cc1)[NH+]1CCCCC1 ZINC000222792039 456050746 /nfs/dbraw/zinc/05/07/46/456050746.db2.gz VMOWXQHOJQMYAQ-KRWDZBQOSA-N 1 1 347.459 3.168 50 0 EGAAMO CC[C@@H](Sc1nc2ccccc2o1)C(=O)NCCn1cc[nH+]c1C ZINC000223929701 456062253 /nfs/dbraw/zinc/06/22/53/456062253.db2.gz JHLHWVGROSSIQL-OAHLLOKOSA-N 1 1 344.440 3.020 50 0 EGAAMO c1cc2ncnc(N3C[C@@H]4C[N@@H+](Cc5ccccc5)C[C@@H]4C3)c2s1 ZINC000343079389 456392414 /nfs/dbraw/zinc/39/24/14/456392414.db2.gz HTVWQINNKMOTHI-IYBDPMFKSA-N 1 1 336.464 3.260 50 0 EGAAMO CCOc1cccc(CN(CC)C(=O)NCC[C@H]2CCC[N@H+]2C)c1 ZINC000426406054 457823377 /nfs/dbraw/zinc/82/33/77/457823377.db2.gz HZQFOVYJBHMOJL-QGZVFWFLSA-N 1 1 333.476 3.101 50 0 EGAAMO CO[C@]12CC[N@@H+](Cc3cccc(O)c3)[C@H]1C[C@H](OCC1CC1)CC2 ZINC000426478959 457837862 /nfs/dbraw/zinc/83/78/62/457837862.db2.gz PTVSDTAPUQIIEJ-HSALFYBXSA-N 1 1 331.456 3.331 50 0 EGAAMO OCCn1ccc([C@H]2CCC[N@@H+](Cc3cc4ccccc4o3)C2)n1 ZINC000426486101 457840425 /nfs/dbraw/zinc/84/04/25/457840425.db2.gz XVZUDWBHOANZSF-INIZCTEOSA-N 1 1 325.412 3.001 50 0 EGAAMO C[C@@H]1CCC[N@@H+](CCNC(=O)N(C)Cc2cccc3ncccc23)C1 ZINC000534663400 459343920 /nfs/dbraw/zinc/34/39/20/459343920.db2.gz BUGVTPWWSIKBCX-MRXNPFEDSA-N 1 1 340.471 3.108 50 0 EGAAMO Cc1[nH]c(C)c(-c2cccc(C(=O)NCCCc3ccccn3)c2)[nH+]1 ZINC000584893422 459819640 /nfs/dbraw/zinc/81/96/40/459819640.db2.gz NVVZDKWYFOQNDU-UHFFFAOYSA-N 1 1 334.423 3.451 50 0 EGAAMO Cc1[nH+]ccn1CCNC(=O)CSC12CC3CC(CC(C3)C1)C2 ZINC000584900892 459820742 /nfs/dbraw/zinc/82/07/42/459820742.db2.gz FDXWIYHJUKKNPW-UHFFFAOYSA-N 1 1 333.501 3.010 50 0 EGAAMO CC[N@H+]1CC[C@@H](NC(=O)N2CCC(Sc3ccc(C)cc3)CC2)C1 ZINC000584897116 459820878 /nfs/dbraw/zinc/82/08/78/459820878.db2.gz DVDYFLAXXSXFGJ-MRXNPFEDSA-N 1 1 347.528 3.355 50 0 EGAAMO C[N@H+]1CCC[C@H](c2nc(Cc3cccnc3)nn2Cc2ccccc2)C1 ZINC000670444692 548215642 /nfs/dbraw/zinc/21/56/42/548215642.db2.gz GKAOMHSVRAOGAX-IBGZPJMESA-N 1 1 347.466 3.121 50 0 EGAAMO CCCn1cc(C[N@H+]2CCC[C@@H](c3nnc4ccccn43)C2)c(C)n1 ZINC000670460732 548219580 /nfs/dbraw/zinc/21/95/80/548219580.db2.gz VRZBZVYPEABQLU-MRXNPFEDSA-N 1 1 338.459 3.024 50 0 EGAAMO c1cc(CN2CC[C@]3(C2)CCC[N@H+](CC2CC2)C3)cc2nsnc12 ZINC000015076704 1291145572 /nfs/dbraw/zinc/14/55/72/1291145572.db2.gz CPKOEQHWGYJMAJ-LJQANCHMSA-N 1 1 342.512 3.389 50 0 EGAAMO CCOC(=O)N1CC[NH+]([C@@H](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000071928231 1292271407 /nfs/dbraw/zinc/27/14/07/1292271407.db2.gz MAZDYNBDMBYPBP-ZDUSSCGKSA-N 1 1 344.377 3.411 50 0 EGAAMO CCn1cc(C[N@H+]2CCC[C@@]3(CCC(=O)N(CCC(C)C)C3)C2)cn1 ZINC000082157224 1292677953 /nfs/dbraw/zinc/67/79/53/1292677953.db2.gz OQCOAUUBUHIASR-HXUWFJFHSA-N 1 1 346.519 3.154 50 0 EGAAMO Cc1cccc(C[N@H+]2C[C@@H](c3cccc(O)c3)[C@@H]3[C@H]2C2CCN3CC2)n1 ZINC000095392894 1292945024 /nfs/dbraw/zinc/94/50/24/1292945024.db2.gz ZJOOCXZALJWCON-BHDDXSALSA-N 1 1 349.478 3.158 50 0 EGAAMO C[C@H](C(=O)Nc1ccccc1C[NH+]1CCCC1)N1CCC(C)CC1 ZINC000952972609 1334627697 /nfs/dbraw/zinc/62/76/97/1334627697.db2.gz GEMCZAZKFVBPOG-QGZVFWFLSA-N 1 1 329.488 3.341 50 0 EGAAMO Cc1nccn1Cc1ccccc1NC(=O)C[N@H+](C)C1CCCC1 ZINC000952977371 1334628592 /nfs/dbraw/zinc/62/85/92/1334628592.db2.gz PYNKGNRHUTWZMS-UHFFFAOYSA-N 1 1 326.444 3.053 50 0 EGAAMO Cc1ncc(CN(CC[NH+](C)C)Cc2ccc([C@@H]3CCCCO3)o2)[nH]1 ZINC001704330080 1416445864 /nfs/dbraw/zinc/44/58/64/1416445864.db2.gz WKOVGIIFAIMTIT-SFHVURJKSA-N 1 1 346.475 3.117 50 0 EGAAMO Cc1ccc(C(F)(F)F)cc1C[N@H+](C)[C@H]1C[C@H]2CNC(=O)C[C@H]2C1 ZINC001704338680 1416448633 /nfs/dbraw/zinc/44/86/33/1416448633.db2.gz WXSBAQCLXBYFMN-DVOMOZLQSA-N 1 1 340.389 3.360 50 0 EGAAMO O=C(C[N@H+]1CCCC[C@@H]1CCc1ccccn1)NCc1cccs1 ZINC001704348449 1416451855 /nfs/dbraw/zinc/45/18/55/1416451855.db2.gz NIBGTLTWBYWFSN-QGZVFWFLSA-N 1 1 343.496 3.247 50 0 EGAAMO Cc1cc(C)n(CCC[N@H+](C)C[C@@H]2CC(c3ccccc3)=NO2)n1 ZINC001704353423 1416453794 /nfs/dbraw/zinc/45/37/94/1416453794.db2.gz WSRGBFKFIIHTPZ-SFHVURJKSA-N 1 1 326.444 3.015 50 0 EGAAMO CCC[N@H+]1C[C@@H]2CN(c3cnccn3)C[C@@]2(CCc2ccccc2)C1 ZINC001772806183 1441417409 /nfs/dbraw/zinc/41/74/09/1441417409.db2.gz VHMNLVDVYMDDJV-TZIWHRDSSA-N 1 1 336.483 3.258 50 0 EGAAMO CC(C)N1C[C@@H](C[N@@H+](C)Cc2cccc3ncccc23)CCC1=O ZINC001772815425 1441417638 /nfs/dbraw/zinc/41/76/38/1441417638.db2.gz QKQIHBUGWZHCBU-MRXNPFEDSA-N 1 1 325.456 3.314 50 0 EGAAMO Cn1c2ccccc2cc(-c2nccn2[C@@H]2CCC[N@H+]3CCC[C@H]23)c1=O ZINC001772816067 1441417756 /nfs/dbraw/zinc/41/77/56/1441417756.db2.gz GJWNZSBPBDEKNB-RTBURBONSA-N 1 1 348.450 3.201 50 0 EGAAMO CC(C)(C)OC(=O)NC1CC[NH+](Cc2cc(F)ccc2F)CC1 ZINC000052926583 214155409 /nfs/dbraw/zinc/15/54/09/214155409.db2.gz JOUSNKMUGZAWRU-UHFFFAOYSA-N 1 1 326.387 3.454 50 0 EGAAMO FC(F)(F)Oc1ccc(C[NH+]2CCC(c3nc[nH]n3)CC2)cc1 ZINC000097711709 219049695 /nfs/dbraw/zinc/04/96/95/219049695.db2.gz WREYVXAKWCRQDY-UHFFFAOYSA-N 1 1 326.322 3.083 50 0 EGAAMO O=C(NC[C@@H](c1ccsc1)[N@@H+]1CCc2ccccc2C1)C1CC1 ZINC000020951131 212193316 /nfs/dbraw/zinc/19/33/16/212193316.db2.gz JATWPTYGPWFZQT-SFHVURJKSA-N 1 1 326.465 3.374 50 0 EGAAMO O=C(NC[C@@H](c1ccsc1)[N@H+]1CCc2ccccc2C1)C1CC1 ZINC000020951131 212193321 /nfs/dbraw/zinc/19/33/21/212193321.db2.gz JATWPTYGPWFZQT-SFHVURJKSA-N 1 1 326.465 3.374 50 0 EGAAMO CC[C@@H](CO)[N@@H+](Cc1ccsc1)Cc1cccn1-c1ncccn1 ZINC000055042645 214266843 /nfs/dbraw/zinc/26/68/43/214266843.db2.gz LBTPMLBKNBNAMM-INIZCTEOSA-N 1 1 342.468 3.102 50 0 EGAAMO COCC[N@@H+](Cc1sccc1C)Cc1ccc2c(c1)OCCO2 ZINC000055153441 214280121 /nfs/dbraw/zinc/28/01/21/214280121.db2.gz NPZQXJMULCUCOB-UHFFFAOYSA-N 1 1 333.453 3.476 50 0 EGAAMO CC[C@@H]([NH2+]Cc1c(C)cc(C)c(COC(C)=O)c1C)c1ncnn1C ZINC000055308513 214305381 /nfs/dbraw/zinc/30/53/81/214305381.db2.gz QQKQFTJINRIOID-GOSISDBHSA-N 1 1 344.459 3.044 50 0 EGAAMO CCn1ccnc1CN(C)c1cc(C)c2cc(OC)c(OC)cc2[nH+]1 ZINC000055568724 214331071 /nfs/dbraw/zinc/33/10/71/214331071.db2.gz DBRLSAJICBHVNN-UHFFFAOYSA-N 1 1 340.427 3.413 50 0 EGAAMO CCOC(=O)C(C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C(=O)OCC ZINC000004287973 210162164 /nfs/dbraw/zinc/16/21/64/210162164.db2.gz ISQMVXPLENPISL-KRWDZBQOSA-N 1 1 347.455 3.031 50 0 EGAAMO C[N@@H+](C[C@@H](O)COCCOc1ccc(Cl)cc1)C1CCCCC1 ZINC000004279157 210159493 /nfs/dbraw/zinc/15/94/93/210159493.db2.gz CDPQQBYEMXOCRC-QGZVFWFLSA-N 1 1 341.879 3.361 50 0 EGAAMO CC[C@]12CCC[N@H+]3CC[C@@]4(c5ccccc5NC4=C(C(=O)OC)C1)[C@H]32 ZINC000003881543 210083864 /nfs/dbraw/zinc/08/38/64/210083864.db2.gz GIGFIWJRTMBSRP-HKBOAZHASA-N 1 1 338.451 3.445 50 0 biogenic EGAAMO C[N@@H+](CCc1ccccc1)Cc1cc(C(=O)NCc2ccccc2)no1 ZINC000067842203 215227735 /nfs/dbraw/zinc/22/77/35/215227735.db2.gz WEDNOYOOKIQZEV-UHFFFAOYSA-N 1 1 349.434 3.279 50 0 EGAAMO C=Cc1ccc(C(=O)NC[C@H]2CC[N@H+](Cc3cccc(O)c3)C2)cc1 ZINC000067934355 215252432 /nfs/dbraw/zinc/25/24/32/215252432.db2.gz LKTJKMNFQGOSIO-GOSISDBHSA-N 1 1 336.435 3.287 50 0 EGAAMO Cc1ccc(CN2CC[N@@H+](Cc3cccc(C)c3)C[C@H]2CCO)cc1 ZINC000104395954 219383724 /nfs/dbraw/zinc/38/37/24/219383724.db2.gz XTAUIOUSXVEFAY-JOCHJYFZSA-N 1 1 338.495 3.372 50 0 EGAAMO Cc1ccc(C[N@H+]2CCN(Cc3cccc(C)c3)C[C@H]2CCO)cc1 ZINC000104395954 219383730 /nfs/dbraw/zinc/38/37/30/219383730.db2.gz XTAUIOUSXVEFAY-JOCHJYFZSA-N 1 1 338.495 3.372 50 0 EGAAMO COc1ccc(/C=C/CN2CC[N@@H+](C3CCCC3)[C@H](CCO)C2)cc1 ZINC000039468161 213238520 /nfs/dbraw/zinc/23/85/20/213238520.db2.gz XLFIFBISBMBZOF-DPZZJQGRSA-N 1 1 344.499 3.020 50 0 EGAAMO CC[C@]12CCC[N@H+]3CC[C@]4(c5ccccc5NC4=C(C(=O)OC)C1)[C@@H]32 ZINC000038604903 213216031 /nfs/dbraw/zinc/21/60/31/213216031.db2.gz GIGFIWJRTMBSRP-PCCBWWKXSA-N 1 1 338.451 3.445 50 0 biogenic EGAAMO OC[C@H]1CC[N@@H+](Cc2ccc(Oc3ccc(Cl)cc3)cc2)C[C@H]1O ZINC000072128441 216019607 /nfs/dbraw/zinc/01/96/07/216019607.db2.gz XTPFEURUSCHEFW-DNVCBOLYSA-N 1 1 347.842 3.307 50 0 EGAAMO COc1cccc([C@H]2C[N@@H+](Cc3ccco3)[C@H]3[C@@H]2N2CCC3CC2)c1 ZINC000072126632 216017465 /nfs/dbraw/zinc/01/74/65/216017465.db2.gz RKWREKJKZCODMA-NJDAHSKKSA-N 1 1 338.451 3.350 50 0 EGAAMO NC(=O)CC[N@H+]1CCC[C@H](CCc2ccccc2C(F)(F)F)C1 ZINC000072140019 216026576 /nfs/dbraw/zinc/02/65/76/216026576.db2.gz FPHBTTRKOWJLOK-CYBMUJFWSA-N 1 1 328.378 3.225 50 0 EGAAMO CC[C@@H]1CN(Cc2ccc(Cn3cccn3)cc2)CC[N@H+]1C(C)C ZINC000072152559 216041354 /nfs/dbraw/zinc/04/13/54/216041354.db2.gz PFDKIUDJXFCODA-HXUWFJFHSA-N 1 1 326.488 3.236 50 0 EGAAMO CCCc1nc(N[C@@H]2CC(=O)N(Cc3cccc(F)c3)C2)cc(C)[nH+]1 ZINC000072153344 216041979 /nfs/dbraw/zinc/04/19/79/216041979.db2.gz PTHLENPEKCMPEG-MRXNPFEDSA-N 1 1 342.418 3.090 50 0 EGAAMO Cn1c(CN2CCCCC2)nnc1[C@H]1CCC[N@@H+](CC(C)(C)C)C1 ZINC000072407151 216197816 /nfs/dbraw/zinc/19/78/16/216197816.db2.gz OEGHRTFGFUAUPL-INIZCTEOSA-N 1 1 333.524 3.027 50 0 EGAAMO Cc1[nH+]ccn1[C@H](C)C(=O)N1CCc2[nH]c3c(cccc3Cl)c2C1 ZINC000072462968 216244795 /nfs/dbraw/zinc/24/47/95/216244795.db2.gz GIMARADJHMGGPQ-LLVKDONJSA-N 1 1 342.830 3.472 50 0 EGAAMO Cc1ccc(CCN2C(=O)CC[C@H]3C[N@H+](Cc4ccco4)CC[C@H]32)o1 ZINC000072468337 216247600 /nfs/dbraw/zinc/24/76/00/216247600.db2.gz NIPVKVSZJZIJDN-QFBILLFUSA-N 1 1 342.439 3.237 50 0 EGAAMO COc1ccc(CN2CC[N@@H+](C3CCCC3)[C@@H](CCO)C2)c(C)c1C ZINC000023374312 212372305 /nfs/dbraw/zinc/37/23/05/212372305.db2.gz YSCOMDWJVGMPPY-FQEVSTJZSA-N 1 1 346.515 3.123 50 0 EGAAMO OCC[C@@H]1CN(Cc2ccc(F)cc2)CC[N@H+]1CC1CCCCC1 ZINC000023358410 212370917 /nfs/dbraw/zinc/37/09/17/212370917.db2.gz XVVMAEBFHXFQEJ-HXUWFJFHSA-N 1 1 334.479 3.275 50 0 EGAAMO Cc1c2cc(C)ccc2oc1CN1CCN(C2CC[NH+](C)CC2)CC1 ZINC000215344867 241121218 /nfs/dbraw/zinc/12/12/18/241121218.db2.gz DQEHTDCNQKVIJG-UHFFFAOYSA-N 1 1 341.499 3.261 50 0 EGAAMO COc1cc2c(cc1C[N@@H+]1CCOc3ccc(CO)cc3C1)CCC2 ZINC000216489441 241198378 /nfs/dbraw/zinc/19/83/78/241198378.db2.gz DUHCTKUBNCNZAK-UHFFFAOYSA-N 1 1 339.435 3.071 50 0 EGAAMO COc1cc2c(cc1C[N@H+]1CCOc3ccc(CO)cc3C1)CCC2 ZINC000216489441 241198383 /nfs/dbraw/zinc/19/83/83/241198383.db2.gz DUHCTKUBNCNZAK-UHFFFAOYSA-N 1 1 339.435 3.071 50 0 EGAAMO Cc1ccc(-n2cc(CN(C)CC[N@@H+](C)C3CCCC3)cn2)cc1 ZINC000222247271 241502617 /nfs/dbraw/zinc/50/26/17/241502617.db2.gz URGCNDXODKBJBI-UHFFFAOYSA-N 1 1 326.488 3.487 50 0 EGAAMO O=C(NCc1ccco1)N1C[C@H]2CC[C@@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000091637055 284010699 /nfs/dbraw/zinc/01/06/99/284010699.db2.gz ZXKAVNCEJXPKSE-ZWKOTPCHSA-N 1 1 339.439 3.086 50 0 EGAAMO CCc1c[nH]nc1[C@H]1CCC[N@@H+](Cc2c(OC)cccc2OC)C1 ZINC000020993034 212195039 /nfs/dbraw/zinc/19/50/39/212195039.db2.gz QKQLDOLCBHYAAQ-HNNXBMFYSA-N 1 1 329.444 3.369 50 0 EGAAMO CC(C)=CCC/C(C)=C/Cn1ncc(N2CCC[N@H+](C)CC2)cc1=O ZINC000020866794 212178751 /nfs/dbraw/zinc/17/87/51/212178751.db2.gz IAHIJFDGPQGAKC-GIJQJNRQSA-N 1 1 344.503 3.078 50 0 EGAAMO Cc1csc([C@@H](C)N(C)CC[NH+]2CCN(c3ccccc3)CC2)n1 ZINC000244873297 243091868 /nfs/dbraw/zinc/09/18/68/243091868.db2.gz WNNKIIDKQIUHQH-QGZVFWFLSA-N 1 1 344.528 3.267 50 0 EGAAMO COc1cccc(N2CC[N@H+](Cc3cc(OC)ccn3)CC2(C)C)c1 ZINC000244723876 243069562 /nfs/dbraw/zinc/06/95/62/243069562.db2.gz MJCUYPSXZWEDIW-UHFFFAOYSA-N 1 1 341.455 3.200 50 0 EGAAMO COc1cccc(N2CC[N@@H+](Cc3cc(OC)ccn3)CC2(C)C)c1 ZINC000244723876 243069569 /nfs/dbraw/zinc/06/95/69/243069569.db2.gz MJCUYPSXZWEDIW-UHFFFAOYSA-N 1 1 341.455 3.200 50 0 EGAAMO COCC[N@H+](Cc1ccc(F)cc1)C[C@@H]1COc2ccccc2O1 ZINC000244734955 243073389 /nfs/dbraw/zinc/07/33/89/243073389.db2.gz NQNSIYHWXLCAAU-QGZVFWFLSA-N 1 1 331.387 3.114 50 0 EGAAMO Cc1ncc2c(c1-c1noc(-c3cc(Cl)ccc3O)n1)CC[NH2+]C2 ZINC000020540980 212145254 /nfs/dbraw/zinc/14/52/54/212145254.db2.gz MHAPCVQXNJQXLZ-UHFFFAOYSA-N 1 1 342.786 3.112 50 0 EGAAMO OCC[C@@H]1CN(Cc2cc(F)cc(F)c2)CC[N@H+]1Cc1ccccc1 ZINC000020255515 212114852 /nfs/dbraw/zinc/11/48/52/212114852.db2.gz SEGDYFOCENJWMD-HXUWFJFHSA-N 1 1 346.421 3.034 50 0 EGAAMO O=C(COc1ccccc1Cl)N1CC[NH+](Cc2ccccc2)CC1 ZINC000020166853 212108495 /nfs/dbraw/zinc/10/84/95/212108495.db2.gz FJFXPFSJURUNSK-UHFFFAOYSA-N 1 1 344.842 3.063 50 0 EGAAMO COc1ccc(C[NH+]2CCN(Cc3c[nH]c4ccccc34)CC2)cc1 ZINC000019866648 212077084 /nfs/dbraw/zinc/07/70/84/212077084.db2.gz IGLAPTRWWKZNHI-UHFFFAOYSA-N 1 1 335.451 3.494 50 0 EGAAMO CCc1nc(C)c(CN2CCC[C@@H]([N@@H+](C)CCc3ccccc3)C2)[nH]1 ZINC000019790910 212068133 /nfs/dbraw/zinc/06/81/33/212068133.db2.gz SSBBLWPLOULJMU-LJQANCHMSA-N 1 1 340.515 3.419 50 0 EGAAMO C[N@@H+](Cc1ccccc1)[C@@H]1CCCN(Cc2cccc3nonc32)C1 ZINC000019720441 212057397 /nfs/dbraw/zinc/05/73/97/212057397.db2.gz MICHGFRVAYLQTD-GOSISDBHSA-N 1 1 336.439 3.319 50 0 EGAAMO CN(Cc1ccccc1)[C@@H]1CCC[N@H+](Cc2cccc3nonc32)C1 ZINC000019720441 212057401 /nfs/dbraw/zinc/05/74/01/212057401.db2.gz MICHGFRVAYLQTD-GOSISDBHSA-N 1 1 336.439 3.319 50 0 EGAAMO CN(Cc1ccccc1)[C@@H]1CCC[N@@H+](Cc2cccc3nonc32)C1 ZINC000019720441 212057403 /nfs/dbraw/zinc/05/74/03/212057403.db2.gz MICHGFRVAYLQTD-GOSISDBHSA-N 1 1 336.439 3.319 50 0 EGAAMO Cc1ccc(NC(=O)CCN2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000019367915 212022694 /nfs/dbraw/zinc/02/26/94/212022694.db2.gz BYIXKRKSUDDJJP-UHFFFAOYSA-N 1 1 337.467 3.141 50 0 EGAAMO C[C@H]1CCCC[N@H+]1C[C@@H](O)COc1ccc(Br)cc1 ZINC000012377828 211360757 /nfs/dbraw/zinc/36/07/57/211360757.db2.gz PXZKDSWGKAGWIE-GXTWGEPZSA-N 1 1 328.250 3.063 50 0 EGAAMO CC(C)CNC(=O)C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000012382270 211363321 /nfs/dbraw/zinc/36/33/21/211363321.db2.gz VXKBPBCYEVQTEK-UHFFFAOYSA-N 1 1 326.843 3.463 50 0 EGAAMO C[N@@H+](Cc1ccccc1)[C@@H]1CCCN(C(=O)/C=C/c2ccncc2)C1 ZINC000012320188 211343821 /nfs/dbraw/zinc/34/38/21/211343821.db2.gz ZUKFVAQPJPHTFW-SQUSKLHYSA-N 1 1 335.451 3.218 50 0 EGAAMO O=C1CC[N@@H+](C2Cc3ccccc3C2)CCN1Cc1ccc(F)cc1 ZINC000012278653 211332794 /nfs/dbraw/zinc/33/27/94/211332794.db2.gz CELSEKWMBDPIMK-UHFFFAOYSA-N 1 1 338.426 3.027 50 0 EGAAMO CCOc1ccccc1C[N@H+]1CC[C@@](O)(C2CCOCC2)[C@H](C)C1 ZINC000091621290 218033359 /nfs/dbraw/zinc/03/33/59/218033359.db2.gz SOEZGTUZQOKUHT-UZLBHIALSA-N 1 1 333.472 3.085 50 0 EGAAMO C[N@H+](CCC1CCOCC1)Cc1nc(Cc2ccccc2F)no1 ZINC000011814562 211250615 /nfs/dbraw/zinc/25/06/15/211250615.db2.gz KCPDWCIIMGVLNH-UHFFFAOYSA-N 1 1 333.407 3.048 50 0 EGAAMO C[N@@H+](CCC1CCOCC1)Cc1nc(Cc2ccccc2F)no1 ZINC000011814562 211250620 /nfs/dbraw/zinc/25/06/20/211250620.db2.gz KCPDWCIIMGVLNH-UHFFFAOYSA-N 1 1 333.407 3.048 50 0 EGAAMO CCN(C)c1ccc(C(=O)N2CCC[N@H+](C3CCCCC3)CC2)cn1 ZINC000011872982 211261050 /nfs/dbraw/zinc/26/10/50/211261050.db2.gz DDXFQHUYPVAXCA-UHFFFAOYSA-N 1 1 344.503 3.018 50 0 EGAAMO CC(C)C[N@H+]1CC[C@H](CN(C)Cc2nc(-c3ccccc3)no2)C1 ZINC000011662963 211229475 /nfs/dbraw/zinc/22/94/75/211229475.db2.gz SKFUFJDQWXOTMI-MRXNPFEDSA-N 1 1 328.460 3.146 50 0 EGAAMO Cc1cccc([C@H](C(=O)NCc2c(F)ccc(F)c2F)[NH+](C)C)c1 ZINC000095367530 218299930 /nfs/dbraw/zinc/29/99/30/218299930.db2.gz JHPHKQNSZMZCRX-QGZVFWFLSA-N 1 1 336.357 3.331 50 0 EGAAMO Cc1nc(C(=O)N2C[C@H]3CC[C@@H]2C[N@@H+](Cc2ccccc2)C3)cs1 ZINC000095375961 218309366 /nfs/dbraw/zinc/30/93/66/218309366.db2.gz UFPWDIZQBNTVOS-DLBZAZTESA-N 1 1 341.480 3.188 50 0 EGAAMO CCCNC(=O)C[N@@H+]1CC[C@]2(O)CCCC[C@H]2[C@@H]1c1ccc(F)cc1 ZINC000245313029 258000226 /nfs/dbraw/zinc/00/02/26/258000226.db2.gz YYQWSSHRVKGXIT-YSIASYRMSA-N 1 1 348.462 3.020 50 0 EGAAMO CCCNC(=O)C[N@H+]1CC[C@]2(O)CCCC[C@H]2[C@@H]1c1ccc(F)cc1 ZINC000245313029 258000227 /nfs/dbraw/zinc/00/02/27/258000227.db2.gz YYQWSSHRVKGXIT-YSIASYRMSA-N 1 1 348.462 3.020 50 0 EGAAMO Cc1nc([C@H](C)NC(=O)C[N@H+](C)Cc2ccc(F)cc2)c(C)s1 ZINC000299781088 258090009 /nfs/dbraw/zinc/09/00/09/258090009.db2.gz KNAYBHRATXPBMQ-NSHDSACASA-N 1 1 335.448 3.208 50 0 EGAAMO Cc1nc([C@H](C)NC(=O)C[N@@H+](C)Cc2ccc(F)cc2)c(C)s1 ZINC000299781088 258090010 /nfs/dbraw/zinc/09/00/10/258090010.db2.gz KNAYBHRATXPBMQ-NSHDSACASA-N 1 1 335.448 3.208 50 0 EGAAMO CCc1[nH+]ccn1CC1(CNC(=O)c2cc3cc(C)ccc3[nH]2)CC1 ZINC000299793918 258098871 /nfs/dbraw/zinc/09/88/71/258098871.db2.gz JGLHCRUCRVTOLP-UHFFFAOYSA-N 1 1 336.439 3.445 50 0 EGAAMO C[NH+](C)[C@H](C(=O)NCc1ccc2c(c1)CCCO2)c1ccc(F)cc1 ZINC000299796506 258101014 /nfs/dbraw/zinc/10/10/14/258101014.db2.gz OYUPEOYOPHSTKE-IBGZPJMESA-N 1 1 342.414 3.070 50 0 EGAAMO CCn1ccc2cc(C(=O)N3CC([N@H+]4CCCC[C@@H]4C)C3)ccc21 ZINC000299756660 258074708 /nfs/dbraw/zinc/07/47/08/258074708.db2.gz CYBSMPWHCQJJFP-HNNXBMFYSA-N 1 1 325.456 3.360 50 0 EGAAMO CN1CC[C@@]2(CC[N@@H+]3CCc4c5ccccc5oc4[C@H]3C2)N(C)C1=O ZINC000002559940 277161414 /nfs/dbraw/zinc/16/14/14/277161414.db2.gz JRDUBBHIPPPSLP-UZLBHIALSA-N 1 1 339.439 3.252 50 0 in-vitro EGAAMO CN1CC[C@@]2(CC[N@H+]3CCc4c5ccccc5oc4[C@H]3C2)N(C)C1=O ZINC000002559940 277161415 /nfs/dbraw/zinc/16/14/15/277161415.db2.gz JRDUBBHIPPPSLP-UZLBHIALSA-N 1 1 339.439 3.252 50 0 in-vitro EGAAMO CN1CC[C@]2(CC[N@@H+]3CCc4c5ccccc5oc4[C@@H]3C2)N(C)C1=O ZINC000004475284 277186564 /nfs/dbraw/zinc/18/65/64/277186564.db2.gz JRDUBBHIPPPSLP-OXJNMPFZSA-N 1 1 339.439 3.252 50 0 EGAAMO CN1CC[C@]2(CC[N@H+]3CCc4c5ccccc5oc4[C@@H]3C2)N(C)C1=O ZINC000004475284 277186565 /nfs/dbraw/zinc/18/65/65/277186565.db2.gz JRDUBBHIPPPSLP-OXJNMPFZSA-N 1 1 339.439 3.252 50 0 EGAAMO CN(C(=O)C[NH+]1CCCCC1)C(C)(C)C(=O)c1ccccc1Cl ZINC000000395796 281727274 /nfs/dbraw/zinc/72/72/74/281727274.db2.gz AFUFPQMVSQXNRU-UHFFFAOYSA-N 1 1 336.863 3.246 50 0 EGAAMO COc1ccc(C[N@H+]2CCCC[C@H]2CC(=O)[O-])cc1C[NH+]1CCCC1 ZINC000097619161 295128712 /nfs/dbraw/zinc/12/87/12/295128712.db2.gz FJVJJBXBLBFAEZ-SFHVURJKSA-N 1 1 346.471 3.120 50 0 EGAAMO C[NH+](C)[C@H]1CCC[N@@H+](Cc2ccc3c4c2cccc4C(=O)OC3)CC1 ZINC000244866567 455276854 /nfs/dbraw/zinc/27/68/54/455276854.db2.gz VYLBWTKCNRQVOZ-KRWDZBQOSA-N 1 1 338.451 3.426 50 0 EGAAMO C[NH+](C)[C@H]1CCCN(Cc2ccc3c4c2cccc4C(=O)OC3)CC1 ZINC000244866567 455276857 /nfs/dbraw/zinc/27/68/57/455276857.db2.gz VYLBWTKCNRQVOZ-KRWDZBQOSA-N 1 1 338.451 3.426 50 0 EGAAMO C[NH+]1CCN(c2ccc(NC(=O)c3ccccc3F)cc2Cl)CC1 ZINC000004841687 452821226 /nfs/dbraw/zinc/82/12/26/452821226.db2.gz SLRCPWPEILKFBX-UHFFFAOYSA-N 1 1 347.821 3.483 50 0 EGAAMO C[NH2+][C@@H](c1cc2ccccc2[nH]1)c1nnnn1-c1ccc(Cl)cc1 ZINC000006667854 452967365 /nfs/dbraw/zinc/96/73/65/452967365.db2.gz ZEJYLLOHTVSBTK-INIZCTEOSA-N 1 1 338.802 3.106 50 0 EGAAMO C[C@@H]1C[N@@H+](C2CCN(C(=O)c3ccccc3Cl)CC2)C[C@H](C)O1 ZINC000013115900 453446492 /nfs/dbraw/zinc/44/64/92/453446492.db2.gz AWWRKBNPEHEIAK-OKILXGFUSA-N 1 1 336.863 3.054 50 0 EGAAMO COCC[N@H+]1CCC[C@]2(CCN(Cc3c(F)cccc3Cl)C2)C1 ZINC000015074481 453555335 /nfs/dbraw/zinc/55/53/35/453555335.db2.gz UKVRBZCOHLSBDJ-SFHVURJKSA-N 1 1 340.870 3.413 50 0 EGAAMO Cc1ccc(-n2c(=O)c3c4c(sc3[nH]c2=S)C[N@H+](C)CC4)cc1 ZINC000017179603 453630971 /nfs/dbraw/zinc/63/09/71/453630971.db2.gz VKEOWAGWISLYCW-UHFFFAOYSA-N 1 1 343.477 3.406 50 0 EGAAMO Cc1ccc(-n2c(=O)c3c4c(sc3[nH]c2=S)C[N@@H+](C)CC4)cc1 ZINC000017179603 453630973 /nfs/dbraw/zinc/63/09/73/453630973.db2.gz VKEOWAGWISLYCW-UHFFFAOYSA-N 1 1 343.477 3.406 50 0 EGAAMO CC(=O)OCc1ccc(C[NH+]2CCN(c3ccc(Cl)cc3)CC2)o1 ZINC000023280212 453708127 /nfs/dbraw/zinc/70/81/27/453708127.db2.gz XITAXGWEABWWIX-UHFFFAOYSA-N 1 1 348.830 3.318 50 0 EGAAMO C[NH+]1CCN(C(=O)CCc2ccc(-c3ccc(Cl)cc3)o2)CC1 ZINC000025694771 453783449 /nfs/dbraw/zinc/78/34/49/453783449.db2.gz SRCITRLPGPFUME-UHFFFAOYSA-N 1 1 332.831 3.307 50 0 EGAAMO Cc1ccc(-c2noc(CC[C@@H]3CCC[N@H+]4CCCC[C@H]34)n2)nn1 ZINC000082160486 453927323 /nfs/dbraw/zinc/92/73/23/453927323.db2.gz CISFXXHVNCOJRI-GOEBONIOSA-N 1 1 327.432 3.032 50 0 EGAAMO CSc1ccccc1C(=O)N1CCC[N@H+](Cc2ccncc2)CC1 ZINC000077299531 454087561 /nfs/dbraw/zinc/08/75/61/454087561.db2.gz WQPUVNCRQDUNCH-UHFFFAOYSA-N 1 1 341.480 3.152 50 0 EGAAMO CSc1ccccc1C(=O)N1CCC[N@@H+](Cc2ccncc2)CC1 ZINC000077299531 454087564 /nfs/dbraw/zinc/08/75/64/454087564.db2.gz WQPUVNCRQDUNCH-UHFFFAOYSA-N 1 1 341.480 3.152 50 0 EGAAMO CCCc1cc(N2CCC[C@]3(CCC(=O)N(C(C)C)C3)C2)nc(C)[nH+]1 ZINC000077379897 454099468 /nfs/dbraw/zinc/09/94/68/454099468.db2.gz MRSJMWMUSJETOD-FQEVSTJZSA-N 1 1 344.503 3.355 50 0 EGAAMO COc1ccc(OC)c([C@@H]2CC[N@@H+](Cc3cccc4nonc43)C2)c1 ZINC000077388521 454101147 /nfs/dbraw/zinc/10/11/47/454101147.db2.gz NPDIOKSMPYSCKV-CYBMUJFWSA-N 1 1 339.395 3.230 50 0 EGAAMO Cn1nc(-c2nccn2[C@H]2CCC[N@@H+](C)C2)c2c1cccc2Cl ZINC000077505453 454115359 /nfs/dbraw/zinc/11/53/59/454115359.db2.gz FJYOYRQONAHLGU-LBPRGKRZSA-N 1 1 329.835 3.357 50 0 EGAAMO Cc1ccccc1[C@@H]1CC[N@@H+](CCn2cc(-c3nccs3)nn2)C1 ZINC000095363356 454196766 /nfs/dbraw/zinc/19/67/66/454196766.db2.gz MASUMOYVRVMXGM-OAHLLOKOSA-N 1 1 339.468 3.200 50 0 EGAAMO C[C@H]1CCCC[N@H+]1C1CN(c2nccc(CCC(F)(F)F)n2)C1 ZINC000071405622 454206163 /nfs/dbraw/zinc/20/61/63/454206163.db2.gz PTJOWTRKZNIWEP-LBPRGKRZSA-N 1 1 328.382 3.035 50 0 EGAAMO Cc1c[nH+]c(N2CCO[C@@H](c3ccc(Cl)c(Cl)c3)C2)nc1N ZINC000071551873 454209014 /nfs/dbraw/zinc/20/90/14/454209014.db2.gz LFAPBVJGJMALSK-CYBMUJFWSA-N 1 1 339.226 3.252 50 0 EGAAMO CC[N@@H+](C)C[C@H](C)CNc1nc(C)nc2c1Cc1ccccc1OC2 ZINC000095522070 454227602 /nfs/dbraw/zinc/22/76/02/454227602.db2.gz LEFILRKHVJFVSP-CQSZACIVSA-N 1 1 340.471 3.268 50 0 EGAAMO Cc1ccc(NC[C@@H]2CCN(c3ncnc4sccc43)C2)[nH+]c1 ZINC000097200947 454423307 /nfs/dbraw/zinc/42/33/07/454423307.db2.gz VMOSWWCPXMYDLZ-ZDUSSCGKSA-N 1 1 325.441 3.333 50 0 EGAAMO CCOc1ccc2nc(C[N@H+]3CCC[C@H](c4ncon4)C3)ccc2c1 ZINC000097528997 454438540 /nfs/dbraw/zinc/43/85/40/454438540.db2.gz NNTKDMLBVIQAJX-HNNXBMFYSA-N 1 1 338.411 3.396 50 0 EGAAMO CC(=O)Nc1ccc(C[N@H+](Cc2c(C)nn(C)c2C)C(C)C)cc1 ZINC000063885252 454457926 /nfs/dbraw/zinc/45/79/26/454457926.db2.gz VTOMADPLODFXLO-UHFFFAOYSA-N 1 1 328.460 3.406 50 0 EGAAMO Cc1cccc([C@H](C(=O)N(Cc2cncs2)C2CC2)[NH+](C)C)c1 ZINC000065398145 454560510 /nfs/dbraw/zinc/56/05/10/454560510.db2.gz FSHVFERXTHSILC-QGZVFWFLSA-N 1 1 329.469 3.245 50 0 EGAAMO COc1nc(C)cc(C)c1C[NH2+][C@@H](C)C(=O)Nc1ccc(C)cc1 ZINC000065405198 454561965 /nfs/dbraw/zinc/56/19/65/454561965.db2.gz PXCAZEPITDKMNV-HNNXBMFYSA-N 1 1 327.428 3.132 50 0 EGAAMO O=C(C1CCOCC1)N1CCC[C@@H]1[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000106903497 454730043 /nfs/dbraw/zinc/73/00/43/454730043.db2.gz AIVGRMJDKOEQFS-WOJBJXKFSA-N 1 1 342.483 3.069 50 0 EGAAMO O=C(NC[C@H]1CCC[N@H+]2CCCC[C@@H]12)c1cc(-c2ccccc2)n[nH]1 ZINC000169680671 454930124 /nfs/dbraw/zinc/93/01/24/454930124.db2.gz CBTDZZQHBUWVLX-APWZRJJASA-N 1 1 338.455 3.071 50 0 EGAAMO Cc1cc(C(=O)N2CCCC[C@@H]2CCn2cc[nH+]c2C)c(C)n1C ZINC000223006581 456052588 /nfs/dbraw/zinc/05/25/88/456052588.db2.gz WTKFFRNMCFRYSZ-QGZVFWFLSA-N 1 1 328.460 3.232 50 0 EGAAMO Cc1[nH+]cn(CC(=O)N2CCC[C@@H]2c2nc3cc(C)ccc3[nH]2)c1C ZINC000299769875 456780690 /nfs/dbraw/zinc/78/06/90/456780690.db2.gz JNUQESUSTVLSEP-QGZVFWFLSA-N 1 1 337.427 3.048 50 0 EGAAMO Cc1[nH+]cn(CC(=O)N2CCC[C@@H]2c2nc3ccc(C)cc3[nH]2)c1C ZINC000299769875 456780694 /nfs/dbraw/zinc/78/06/94/456780694.db2.gz JNUQESUSTVLSEP-QGZVFWFLSA-N 1 1 337.427 3.048 50 0 EGAAMO O=C(Cc1ccccc1Cl)N1CC([N@@H+]2CCc3ccccc3C2)C1 ZINC000390825867 457441258 /nfs/dbraw/zinc/44/12/58/457441258.db2.gz KGABPTPKLAXETH-UHFFFAOYSA-N 1 1 340.854 3.152 50 0 EGAAMO O=C(Cc1ccccc1Cl)N1CC([N@H+]2CCc3ccccc3C2)C1 ZINC000390825867 457441264 /nfs/dbraw/zinc/44/12/64/457441264.db2.gz KGABPTPKLAXETH-UHFFFAOYSA-N 1 1 340.854 3.152 50 0 EGAAMO O[C@@]1(c2ccccc2)CC[N@@H+](CCn2cccn2)[C@@H]2CCCC[C@@H]21 ZINC000426563547 457856512 /nfs/dbraw/zinc/85/65/12/457856512.db2.gz ZPNJUMDVFLJCBG-XUVXKRRUSA-N 1 1 325.456 3.035 50 0 EGAAMO CO[C@]12CC[N@@H+](Cc3nc(C)cs3)[C@H]1C[C@H](OCC1CC1)CC2 ZINC000426623393 457864380 /nfs/dbraw/zinc/86/43/80/457864380.db2.gz ZGQCFULWFXABDY-SOLBZPMBSA-N 1 1 336.501 3.390 50 0 EGAAMO O=C(CCCc1cccs1)N[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000534652373 459343031 /nfs/dbraw/zinc/34/30/31/459343031.db2.gz VTHIEAXHRLUXTN-KRWDZBQOSA-N 1 1 343.496 3.247 50 0 EGAAMO O=C(CCCc1cccs1)N[C@H]1CCC[N@@H+](Cc2cccnc2)C1 ZINC000534652373 459343037 /nfs/dbraw/zinc/34/30/37/459343037.db2.gz VTHIEAXHRLUXTN-KRWDZBQOSA-N 1 1 343.496 3.247 50 0 EGAAMO CCC[N@@H+](CC(=O)Nc1ccc(Cl)cc1F)[C@@H]1CCCC[C@H]1O ZINC000244673947 535281189 /nfs/dbraw/zinc/28/11/89/535281189.db2.gz HYQSDQALMYUXBO-HZPDHXFCSA-N 1 1 342.842 3.433 50 0 EGAAMO C[C@H]1C[C@@H](NCc2ccc3c(c2)OCCO3)C[N@@H+]1Cc1ccccc1 ZINC000237697099 547257548 /nfs/dbraw/zinc/25/75/48/547257548.db2.gz MIXXOAYDBCWWDA-QFBILLFUSA-N 1 1 338.451 3.210 50 0 EGAAMO CCC[N@H+]1CC[C@@H](NC(=O)N2CCC(Cc3ccccc3)CC2)C1 ZINC000584886831 548099081 /nfs/dbraw/zinc/09/90/81/548099081.db2.gz AQOBRFINQIXRTG-LJQANCHMSA-N 1 1 329.488 3.135 50 0 EGAAMO C[C@H](c1ccon1)[N@@H+](C)[C@H]1CCC(=O)N(Cc2ccc(F)cc2)CC1 ZINC000012200161 1291130471 /nfs/dbraw/zinc/13/04/71/1291130471.db2.gz NQJBGBQUSBPGIG-PBHICJAKSA-N 1 1 345.418 3.388 50 0 EGAAMO O=C(CN1CCCCCC1)N[C@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC000012587794 1291133077 /nfs/dbraw/zinc/13/30/77/1291133077.db2.gz MNFNKNKMNNEDQX-IBGZPJMESA-N 1 1 335.536 3.023 50 0 EGAAMO O=C(CN1CCCCCC1)N[C@H]1CCC[N@@H+](CC2CCCCC2)C1 ZINC000012587794 1291133082 /nfs/dbraw/zinc/13/30/82/1291133082.db2.gz MNFNKNKMNNEDQX-IBGZPJMESA-N 1 1 335.536 3.023 50 0 EGAAMO CC(C)c1nnc2n1CC[N@@H+](Cc1cccc(C(F)(F)F)c1)CC2 ZINC000023153686 1291231465 /nfs/dbraw/zinc/23/14/65/1291231465.db2.gz HYLCKMWHFMRFCA-UHFFFAOYSA-N 1 1 338.377 3.479 50 0 EGAAMO CC(C)c1nnc2n1CC[N@H+](Cc1cccc(C(F)(F)F)c1)CC2 ZINC000023153686 1291231469 /nfs/dbraw/zinc/23/14/69/1291231469.db2.gz HYLCKMWHFMRFCA-UHFFFAOYSA-N 1 1 338.377 3.479 50 0 EGAAMO Cc1[nH+]ccn1Cc1ccccc1NC(=O)c1cnc2ccccc2n1 ZINC000828199776 1292440435 /nfs/dbraw/zinc/44/04/35/1292440435.db2.gz WTUZMIRFVMIQSY-UHFFFAOYSA-N 1 1 343.390 3.435 50 0 EGAAMO O=C(Cc1cc(F)c(F)cc1F)NC[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000888088459 1304030915 /nfs/dbraw/zinc/03/09/15/1304030915.db2.gz AWNGQCMMOVDFAJ-PXAZEXFGSA-N 1 1 340.389 3.027 50 0 EGAAMO C[N@H+](Cc1cccnc1)C[C@H]1CC[C@@H](Cc2cnc3ccccc3n2)O1 ZINC000952854522 1334581557 /nfs/dbraw/zinc/58/15/57/1334581557.db2.gz XDYOCDFPIGEYRW-RBUKOAKNSA-N 1 1 348.450 3.247 50 0 EGAAMO COc1cccc(Oc2ccc(NC(=O)[C@H]3CCC[N@@H+](C)C3)cn2)c1 ZINC000952966963 1334626531 /nfs/dbraw/zinc/62/65/31/1334626531.db2.gz XUMGKXGAAKHBFT-AWEZNQCLSA-N 1 1 341.411 3.163 50 0 EGAAMO C[N@@H+](CC(=O)Nc1ccc(OC[C@@H]2CCCCO2)cc1)C1CCCC1 ZINC000952967712 1334626864 /nfs/dbraw/zinc/62/68/64/1334626864.db2.gz MFRCGDZNHHMSSR-IBGZPJMESA-N 1 1 346.471 3.447 50 0 EGAAMO Cc1cccc(NC(=O)C[N@@H+](C)C[C@H]2CCN(c3ccccc3)C2)c1 ZINC001704349689 1416452738 /nfs/dbraw/zinc/45/27/38/1416452738.db2.gz UIVNIQXQRYFDAA-GOSISDBHSA-N 1 1 337.467 3.392 50 0 EGAAMO CCCOc1ccc(C(=O)NCCn2cc[nH+]c2CC)cc1Cl ZINC001704351293 1416453151 /nfs/dbraw/zinc/45/31/51/1416453151.db2.gz GQALAVCTHBZPTE-UHFFFAOYSA-N 1 1 335.835 3.318 50 0 EGAAMO Cn1nc(C[N@@H+]2CCC[C@@H](c3ncc[nH]3)C2)c2c1cccc2Cl ZINC001704354156 1416453707 /nfs/dbraw/zinc/45/37/07/1416453707.db2.gz USVUMODMKFUSAU-GFCCVEGCSA-N 1 1 329.835 3.329 50 0 EGAAMO Cn1nc(C[N@H+]2CCC[C@@H](c3ncc[nH]3)C2)c2c1cccc2Cl ZINC001704354156 1416453708 /nfs/dbraw/zinc/45/37/08/1416453708.db2.gz USVUMODMKFUSAU-GFCCVEGCSA-N 1 1 329.835 3.329 50 0 EGAAMO CCOc1cccc(-c2nn3c(nnc3[C@H]3CCC[N@@H+](C)C3)s2)c1 ZINC001772491136 1441415940 /nfs/dbraw/zinc/41/59/40/1441415940.db2.gz OXQBSAUVLLBYAS-ZDUSSCGKSA-N 1 1 343.456 3.061 50 0 EGAAMO CC(=O)c1cc(CN2CC[NH+](C3Cc4ccccc4C3)CC2)cs1 ZINC000097637844 219043315 /nfs/dbraw/zinc/04/33/15/219043315.db2.gz OTTZIDHRLTVISL-UHFFFAOYSA-N 1 1 340.492 3.236 50 0 EGAAMO Cc1ccsc1CNc1ccccc1C(=O)N(C)[C@H]1CC[N@@H+](C)C1 ZINC000055211176 214288886 /nfs/dbraw/zinc/28/88/86/214288886.db2.gz JFBZSVYXEPTGJA-HNNXBMFYSA-N 1 1 343.496 3.445 50 0 EGAAMO CCn1ncnc1[C@@H](C)[NH2+]Cc1c(C)cc(C)c(COC(C)=O)c1C ZINC000055360913 214311379 /nfs/dbraw/zinc/31/13/79/214311379.db2.gz GKMIAGNYMHOZLN-OAHLLOKOSA-N 1 1 344.459 3.137 50 0 EGAAMO O=C(NCc1ccco1)N1CCCC[C@@H]1C1=CCC[N@H+](CCCF)C1 ZINC000065366088 214875745 /nfs/dbraw/zinc/87/57/45/214875745.db2.gz QDIOCNLBKALUDS-GOSISDBHSA-N 1 1 349.450 3.335 50 0 EGAAMO Cc1cc(C)n([C@@H]2CC[N@@H+](Cc3c[nH]nc3-c3ccc(F)cc3)C2)n1 ZINC000067459493 215148729 /nfs/dbraw/zinc/14/87/29/215148729.db2.gz BTXCIUVHNQKWRL-GOSISDBHSA-N 1 1 339.418 3.476 50 0 EGAAMO O=C(NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)C1Cc2ccccc2C1 ZINC000067588108 215165205 /nfs/dbraw/zinc/16/52/05/215165205.db2.gz FMDXTKQGBMJILU-GOSISDBHSA-N 1 1 334.463 3.040 50 0 EGAAMO c1cc(-c2ccc(C[N@H+](Cc3ccccn3)C[C@@H]3CCCO3)o2)n[nH]1 ZINC000067673409 215179189 /nfs/dbraw/zinc/17/91/89/215179189.db2.gz GJIIZYJNQZGGLO-INIZCTEOSA-N 1 1 338.411 3.246 50 0 EGAAMO c1cc(-c2ccc(C[N@@H+](Cc3ccccn3)C[C@@H]3CCCO3)o2)n[nH]1 ZINC000067673409 215179193 /nfs/dbraw/zinc/17/91/93/215179193.db2.gz GJIIZYJNQZGGLO-INIZCTEOSA-N 1 1 338.411 3.246 50 0 EGAAMO CCC[C@H]([NH3+])C(=O)N1CCC(c2[nH]ncc2-c2ccccc2C)CC1 ZINC000067676585 215183146 /nfs/dbraw/zinc/18/31/46/215183146.db2.gz MFPFPGLOMLEJRW-SFHVURJKSA-N 1 1 340.471 3.219 50 0 EGAAMO Cc1ccoc1C(=O)NC[C@H]1CC[N@@H+](Cc2ccc3ccccc3n2)C1 ZINC000067726003 215196825 /nfs/dbraw/zinc/19/68/25/215196825.db2.gz ZTFGJGWMHXJYBA-MRXNPFEDSA-N 1 1 349.434 3.388 50 0 EGAAMO O=C(NC[C@@H]1CCC[N@@H+](Cc2cccc3cnccc32)C1)C1CCC1 ZINC000067758550 215206477 /nfs/dbraw/zinc/20/64/77/215206477.db2.gz PTRAYEYSEVPCAJ-INIZCTEOSA-N 1 1 337.467 3.363 50 0 EGAAMO CC[C@H]1CN(C(=O)c2ccc(-c3ccncc3)nc2)CC[N@H+]1C(C)C ZINC000067804607 215216515 /nfs/dbraw/zinc/21/65/15/215216515.db2.gz YUYLJQIWRKRZPU-SFHVURJKSA-N 1 1 338.455 3.088 50 0 EGAAMO COc1ccc(CN2CC[N@H+](C3CCCCC3)[C@H](CCO)C2)cc1C ZINC000039536871 213239187 /nfs/dbraw/zinc/23/91/87/213239187.db2.gz GYNKDFPJCFQZPO-HXUWFJFHSA-N 1 1 346.515 3.205 50 0 EGAAMO C[N@@H+](CCc1ccccc1)C1(C(=O)NCC2CC2)Cc2ccccc2C1 ZINC000072145306 216032412 /nfs/dbraw/zinc/03/24/12/216032412.db2.gz UUKKDRTZXBLVLR-UHFFFAOYSA-N 1 1 348.490 3.225 50 0 EGAAMO c1cc(C[N@@H+]2CCC[C@H](OCc3cccnc3)C2)n(-c2ccccc2)n1 ZINC000072162803 216052143 /nfs/dbraw/zinc/05/21/43/216052143.db2.gz NEBIPGUSQWXWAO-NRFANRHFSA-N 1 1 348.450 3.449 50 0 EGAAMO c1cc(C[N@H+]2CCc3ncnc(NCc4ccsc4)c3CC2)co1 ZINC000072432112 216226009 /nfs/dbraw/zinc/22/60/09/216226009.db2.gz UCBVOJUFFSKGIY-UHFFFAOYSA-N 1 1 340.452 3.344 50 0 EGAAMO Cc1cc(N2CCN(Cc3cccc(-n4cccn4)c3)CC2)cc(C)[nH+]1 ZINC000072477682 216255102 /nfs/dbraw/zinc/25/51/02/216255102.db2.gz ZCSQDHTUKIRKIG-UHFFFAOYSA-N 1 1 347.466 3.206 50 0 EGAAMO CC(C)=CC[N@H+]1CCN(c2cc(C)c3ccccc3n2)C[C@H]1CCO ZINC000072480674 216259921 /nfs/dbraw/zinc/25/99/21/216259921.db2.gz PVGJAQBSWHJKCC-GOSISDBHSA-N 1 1 339.483 3.382 50 0 EGAAMO Cc1c2ccccc2[nH]c1CN1CC[N@@H+](CC(C)(C)C)[C@@H](CCO)C1 ZINC000022913340 212333061 /nfs/dbraw/zinc/33/30/61/212333061.db2.gz HDHBLVUOVNXRSB-KRWDZBQOSA-N 1 1 343.515 3.391 50 0 EGAAMO CSc1cccc(CN2CCC([N@H+]3CCC[C@@H](CO)C3)CC2)c1 ZINC000215123721 241108202 /nfs/dbraw/zinc/10/82/02/241108202.db2.gz ROQLEUZUMZCZGN-QGZVFWFLSA-N 1 1 334.529 3.077 50 0 EGAAMO Cc1c2cccc(F)c2[nH]c1C(=O)N1CC([N@@H+]2CCCC[C@@H]2C)C1 ZINC000215829710 241151625 /nfs/dbraw/zinc/15/16/25/241151625.db2.gz LSMJJPKNCZMRST-LBPRGKRZSA-N 1 1 329.419 3.314 50 0 EGAAMO COc1ccc(OC[C@H]2CCC[N@@H+](Cc3ccc(OC)nc3)C2)cc1 ZINC000216180733 241170900 /nfs/dbraw/zinc/17/09/00/241170900.db2.gz SXJPSGYWLALQMN-KRWDZBQOSA-N 1 1 342.439 3.390 50 0 EGAAMO CSc1ccccc1C(=O)c1cccc(CN2CC[NH+](C)CC2)c1 ZINC000022027999 212270701 /nfs/dbraw/zinc/27/07/01/212270701.db2.gz IMWQWKUHCPGPOF-UHFFFAOYSA-N 1 1 340.492 3.387 50 0 EGAAMO C[N@@H+](Cc1ccccc1OCCN1CCOCC1)C1CCCCC1 ZINC000219348268 241382760 /nfs/dbraw/zinc/38/27/60/241382760.db2.gz TYPQYEABXNHKOR-UHFFFAOYSA-N 1 1 332.488 3.162 50 0 EGAAMO Cc1[nH+]ccn1[C@@H](C)CC(=O)NCCc1nc2ccccc2s1 ZINC000243892733 243031023 /nfs/dbraw/zinc/03/10/23/243031023.db2.gz AKERQIVACTUKIQ-LBPRGKRZSA-N 1 1 328.441 3.111 50 0 EGAAMO CCCO[C@@H]1CCC[N@@H+](CCC(=O)NCc2cccc(Cl)c2)C1 ZINC000244748586 243076557 /nfs/dbraw/zinc/07/65/57/243076557.db2.gz OKFPHJRZUOJUHJ-QGZVFWFLSA-N 1 1 338.879 3.237 50 0 EGAAMO CCN(C(=O)CC[N@H+]1CCC[C@@H](C(C)(C)O)C1)c1ccccc1C ZINC000244874451 243094118 /nfs/dbraw/zinc/09/41/18/243094118.db2.gz XBMWKXJKVAXDNC-QGZVFWFLSA-N 1 1 332.488 3.221 50 0 EGAAMO C[N@@H+](CCC(=O)NCc1cccc(Cl)c1)Cc1cccc(O)c1 ZINC000252490674 243795213 /nfs/dbraw/zinc/79/52/13/243795213.db2.gz KYWFIBMCWPZDRF-UHFFFAOYSA-N 1 1 332.831 3.184 50 0 EGAAMO Cc1ccc(C[NH+]2CCN(C(=O)COc3cccc(C)c3)CC2)cc1 ZINC000019842073 212075703 /nfs/dbraw/zinc/07/57/03/212075703.db2.gz ONETYPGNSXULBS-UHFFFAOYSA-N 1 1 338.451 3.027 50 0 EGAAMO CCOC(=O)c1c(N)sc2c1CC[N@@H+](CCc1ccccc1)C2 ZINC000019866393 212077939 /nfs/dbraw/zinc/07/79/39/212077939.db2.gz YIAPVCLCADJYMX-UHFFFAOYSA-N 1 1 330.453 3.108 50 0 EGAAMO O=C(c1ccccc1F)N1CC[NH+](Cc2c[nH]c3ccccc23)CC1 ZINC000019787803 212066787 /nfs/dbraw/zinc/06/67/87/212066787.db2.gz KXYXFKIVQJTBTN-UHFFFAOYSA-N 1 1 337.398 3.265 50 0 EGAAMO O=c1c(CN2CC[NH+](Cc3ccccc3)CC2)coc2ccccc21 ZINC000019537526 212040567 /nfs/dbraw/zinc/04/05/67/212040567.db2.gz NXKAXFXPOZEBIR-UHFFFAOYSA-N 1 1 334.419 3.111 50 0 EGAAMO CN(Cc1cn(C)nc1-c1cccc(Cl)c1)C[C@H]1CCC[N@H+]1C ZINC000019300817 212014051 /nfs/dbraw/zinc/01/40/51/212014051.db2.gz PSPSFHOYFSYHLR-QGZVFWFLSA-N 1 1 332.879 3.267 50 0 EGAAMO COCCCC1CC[NH+](Cc2nc(-c3ccc(OC)cc3)no2)CC1 ZINC000012439963 211381103 /nfs/dbraw/zinc/38/11/03/211381103.db2.gz YNMVQLTWBAMRNV-UHFFFAOYSA-N 1 1 345.443 3.384 50 0 EGAAMO CC(C)[C@@H]1C[N@@H+](C2CCN(Cc3ccccc3)CC2)C[C@H]1N(C)C ZINC000091390996 218000046 /nfs/dbraw/zinc/00/00/46/218000046.db2.gz JSXBKFMVCISLDU-LEWJYISDSA-N 1 1 329.532 3.169 50 0 EGAAMO CC(C)[C@@H]1C[N@H+](C2CCN(Cc3ccccc3)CC2)C[C@H]1N(C)C ZINC000091390996 218000048 /nfs/dbraw/zinc/00/00/48/218000048.db2.gz JSXBKFMVCISLDU-LEWJYISDSA-N 1 1 329.532 3.169 50 0 EGAAMO COc1ccc(C[N@H+]2CC[C@@H](Cc3ccc(CO)cc3)C2)c(F)c1 ZINC000091410357 218000780 /nfs/dbraw/zinc/00/07/80/218000780.db2.gz HYECNYGLRQMADE-KRWDZBQOSA-N 1 1 329.415 3.391 50 0 EGAAMO COCCC(=O)N[C@@H]1CCC[N@@H+](Cc2ccc(CC(C)C)cc2)C1 ZINC000011950707 211274880 /nfs/dbraw/zinc/27/48/80/211274880.db2.gz PIQZRJUCAJBEEC-LJQANCHMSA-N 1 1 332.488 3.002 50 0 EGAAMO Cc1ccccc1-n1cc(CN(C)C(=O)[C@@H]2CCCCC[N@H+]2C)cn1 ZINC000091452422 218009125 /nfs/dbraw/zinc/00/91/25/218009125.db2.gz UFEFLETUCLQNQA-IBGZPJMESA-N 1 1 340.471 3.014 50 0 EGAAMO CC(C)C[N@H+]1CC[C@@H](CN(C)Cc2nc(-c3ccccc3)no2)C1 ZINC000011662964 211229725 /nfs/dbraw/zinc/22/97/25/211229725.db2.gz SKFUFJDQWXOTMI-INIZCTEOSA-N 1 1 328.460 3.146 50 0 EGAAMO COCC[C@@]1(CO)CCC[N@@H+](Cc2cnc(C3CCCCC3)nc2)C1 ZINC000091872384 218081075 /nfs/dbraw/zinc/08/10/75/218081075.db2.gz JRCSRFNNTJGFPQ-FQEVSTJZSA-N 1 1 347.503 3.135 50 0 EGAAMO COC[C@]1(O)CC[N@H+](Cc2cc(F)c(OC)c(Cl)c2)CC1(C)C ZINC000091943549 218092816 /nfs/dbraw/zinc/09/28/16/218092816.db2.gz GCAPUKFRSOQERI-QGZVFWFLSA-N 1 1 345.842 3.097 50 0 EGAAMO COC[C@]1(O)CC[N@@H+](Cc2cc(F)c(OC)c(Cl)c2)CC1(C)C ZINC000091943549 218092817 /nfs/dbraw/zinc/09/28/17/218092817.db2.gz GCAPUKFRSOQERI-QGZVFWFLSA-N 1 1 345.842 3.097 50 0 EGAAMO c1cc([C@@H]2C[N@H+](C3CCCC3)[C@H]3[C@@H]2N2CCC3CC2)cc2c1OCO2 ZINC000095363116 218295658 /nfs/dbraw/zinc/29/56/58/218295658.db2.gz FBXFUJCVMCHIBI-IOMROCGXSA-N 1 1 340.467 3.220 50 0 EGAAMO COc1ccc(F)c(C[N@@H+]2C[C@H]3CC[C@@H]2CN(C(=O)C2CCC2)C3)c1 ZINC000095391940 218324025 /nfs/dbraw/zinc/32/40/25/218324025.db2.gz GCFLOEMDOJIWAG-RHSMWYFYSA-N 1 1 346.446 3.057 50 0 EGAAMO COc1ccc(F)c(C[N@H+]2C[C@H]3CC[C@@H]2CN(C(=O)C2CCC2)C3)c1 ZINC000095391940 218324027 /nfs/dbraw/zinc/32/40/27/218324027.db2.gz GCFLOEMDOJIWAG-RHSMWYFYSA-N 1 1 346.446 3.057 50 0 EGAAMO COc1coc(C[N@H+](C)Cc2cccc(C(F)(F)F)c2)cc1=O ZINC000268599098 252055793 /nfs/dbraw/zinc/05/57/93/252055793.db2.gz XAHHQGMNJGVQRH-UHFFFAOYSA-N 1 1 327.302 3.299 50 0 EGAAMO COc1coc(C[N@@H+](C)Cc2cccc(C(F)(F)F)c2)cc1=O ZINC000268599098 252055797 /nfs/dbraw/zinc/05/57/97/252055797.db2.gz XAHHQGMNJGVQRH-UHFFFAOYSA-N 1 1 327.302 3.299 50 0 EGAAMO CSc1cccc(CN2CC[NH+](Cc3ccccc3CO)CC2)c1 ZINC000097295313 219009897 /nfs/dbraw/zinc/00/98/97/219009897.db2.gz XRBUZEHWGLVCMP-UHFFFAOYSA-N 1 1 342.508 3.219 50 0 EGAAMO COc1ccc(-c2n[nH]cc2C[N@@H+](C)CCC[C@@H]2CCCO2)cc1 ZINC000097346774 219013366 /nfs/dbraw/zinc/01/33/66/219013366.db2.gz NQTMBCZSZOZYQJ-GOSISDBHSA-N 1 1 329.444 3.476 50 0 EGAAMO CC[N@H+]1CCCC[C@H]1C(=O)NCc1cccc(OC(F)(F)F)c1 ZINC000097499530 219030318 /nfs/dbraw/zinc/03/03/18/219030318.db2.gz LVDJLDLSMBHXMM-AWEZNQCLSA-N 1 1 330.350 3.076 50 0 EGAAMO C[C@@H]1C[N@@H+](C)CCCN1C(=O)Nc1ccc(OCc2ccco2)cc1 ZINC000299783738 258091927 /nfs/dbraw/zinc/09/19/27/258091927.db2.gz WSAUOJHEQDFOOW-OAHLLOKOSA-N 1 1 343.427 3.417 50 0 EGAAMO Cc1ccccc1C[N@H+]1CC[C@H](CNC(=O)CCC(F)(F)F)C1 ZINC000299786542 258093889 /nfs/dbraw/zinc/09/38/89/258093889.db2.gz NBFBGDOKVHEREU-CQSZACIVSA-N 1 1 328.378 3.276 50 0 EGAAMO COc1ccc(OC)c2nc(N(C)C)c(C[NH2+]Cc3ccco3)cc12 ZINC000299789901 258095835 /nfs/dbraw/zinc/09/58/35/258095835.db2.gz AEQDNWHIAGTWJK-UHFFFAOYSA-N 1 1 341.411 3.201 50 0 EGAAMO COc1cc(C)c(C[N@H+]2CC[C@]3(OC)CC[C@@H](O)C[C@H]23)c(C)c1C ZINC000299791255 258096706 /nfs/dbraw/zinc/09/67/06/258096706.db2.gz CTZHEEWLCRWIHR-LSTHTHJFSA-N 1 1 333.472 3.125 50 0 EGAAMO Cc1csc([C@@H](C)[N@H+](C)CCC(=O)NCc2ccccc2F)n1 ZINC000299803182 258105980 /nfs/dbraw/zinc/10/59/80/258105980.db2.gz ZLCCVPPXZOYCCI-CYBMUJFWSA-N 1 1 335.448 3.290 50 0 EGAAMO Cc1csc([C@@H](C)[N@@H+](C)CCC(=O)NCc2ccccc2F)n1 ZINC000299803182 258105982 /nfs/dbraw/zinc/10/59/82/258105982.db2.gz ZLCCVPPXZOYCCI-CYBMUJFWSA-N 1 1 335.448 3.290 50 0 EGAAMO CCCC[N@@H+](C)C[C@]1(O)CCCN(Cc2ccc(C(C)C)cc2)C1=O ZINC000067840305 276232758 /nfs/dbraw/zinc/23/27/58/276232758.db2.gz CQWKWDBVDFANST-OAQYLSRUSA-N 1 1 346.515 3.395 50 0 EGAAMO CNC(=O)c1[nH]nc2c1C[N@@H+](CCC1=C(C)CCCC1(C)C)CC2 ZINC000097425057 277255454 /nfs/dbraw/zinc/25/54/54/277255454.db2.gz HFESDYCPHBDCPI-UHFFFAOYSA-N 1 1 330.476 3.044 50 0 EGAAMO CC(C)c1cc(C(=O)NC[C@H](c2cccnc2)[NH+]2CCCCC2)no1 ZINC000082120892 278014794 /nfs/dbraw/zinc/01/47/94/278014794.db2.gz JLAGXAJWLDIEMJ-QGZVFWFLSA-N 1 1 342.443 3.150 50 0 EGAAMO C[N@H+]1CCCC[C@@H]1CCC(=O)Nc1cnn(Cc2ccccc2)c1 ZINC000572195249 317304156 /nfs/dbraw/zinc/30/41/56/317304156.db2.gz JFTHQGHBIQQQBF-GOSISDBHSA-N 1 1 326.444 3.134 50 0 EGAAMO CCOC(=O)[C@@H]1CCC[N@H+](Cc2cccc(Br)c2)C1 ZINC000000237299 452544116 /nfs/dbraw/zinc/54/41/16/452544116.db2.gz IUVNYPFVAMKOBY-CYBMUJFWSA-N 1 1 326.234 3.224 50 0 EGAAMO CCOC(=O)[C@@H]1CCC[N@@H+](Cc2cccc(Br)c2)C1 ZINC000000237299 452544123 /nfs/dbraw/zinc/54/41/23/452544123.db2.gz IUVNYPFVAMKOBY-CYBMUJFWSA-N 1 1 326.234 3.224 50 0 EGAAMO COc1ccc(/C=C/C(=O)OCC[N@@H+](C)Cc2ccccc2)cc1 ZINC000002180614 452688186 /nfs/dbraw/zinc/68/81/86/452688186.db2.gz NWUYZFIGOKUAEY-JLHYYAGUSA-N 1 1 325.408 3.384 50 0 biogenic EGAAMO CCOC(=O)CCCC(=O)c1ccc(C[NH+]2CCSCC2)cc1 ZINC000002514821 452702901 /nfs/dbraw/zinc/70/29/01/452702901.db2.gz SQPFTGXBNUGMKG-UHFFFAOYSA-N 1 1 335.469 3.152 50 0 EGAAMO COC(=O)c1[nH]c2cc(C)ccc2c1NC(=O)C[N@H+]1CCCC[C@@H]1C ZINC000005163476 452843200 /nfs/dbraw/zinc/84/32/00/452843200.db2.gz CCOUWJDAGIUNQO-ZDUSSCGKSA-N 1 1 343.427 3.076 50 0 EGAAMO O=C(Nc1cccc(F)c1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000006699494 452971066 /nfs/dbraw/zinc/97/10/66/452971066.db2.gz CCMTYODJVRJZIN-UHFFFAOYSA-N 1 1 327.403 3.218 50 0 EGAAMO O=C(/C=C/c1ccco1)N[C@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000012712748 453393038 /nfs/dbraw/zinc/39/30/38/453393038.db2.gz SATYLUVMSTYGJF-BBVFFXRHSA-N 1 1 336.435 3.041 50 0 EGAAMO CC(C)C[N@H+]1CC[C@H](CNC(=O)c2ccc(NC3CCCC3)nc2)C1 ZINC000014977479 453549153 /nfs/dbraw/zinc/54/91/53/453549153.db2.gz XAQWWSNUQIMFDQ-MRXNPFEDSA-N 1 1 344.503 3.144 50 0 EGAAMO Cc1ccc(C)c(NC(=O)CSc2nnc([C@H]([NH3+])C(C)C)o2)c1 ZINC000015989193 453590300 /nfs/dbraw/zinc/59/03/00/453590300.db2.gz UTFXXDRCGBYNSG-CQSZACIVSA-N 1 1 334.445 3.073 50 0 EGAAMO O=C1C[C@@H]([NH2+]Cc2ccc(Cl)cc2Cl)C(=O)N1c1ccccc1 ZINC000018195552 453647730 /nfs/dbraw/zinc/64/77/30/453647730.db2.gz TYXYPBNKCPYXQD-OAHLLOKOSA-N 1 1 349.217 3.415 50 0 EGAAMO C[C@@H]1CCC[N@@H+](CCC(=O)N2CCN(c3ccc(Cl)cc3)CC2)C1 ZINC000020537994 453666474 /nfs/dbraw/zinc/66/64/74/453666474.db2.gz MRVQMMNASOYMIX-MRXNPFEDSA-N 1 1 349.906 3.111 50 0 EGAAMO O=C(CCCc1ccccc1)N1CC[NH+](CCc2ccccc2)CC1 ZINC000032578360 453878324 /nfs/dbraw/zinc/87/83/24/453878324.db2.gz QFMIUVSIMUHARF-UHFFFAOYSA-N 1 1 336.479 3.396 50 0 EGAAMO CC[C@H](C)NC(=O)NCc1cc2n(n1)CCC[N@H+](C1CCCCC1)C2 ZINC000082166693 453927130 /nfs/dbraw/zinc/92/71/30/453927130.db2.gz WXOBETZMALLWEJ-HNNXBMFYSA-N 1 1 347.507 3.019 50 0 EGAAMO CC[C@H]1CN(C(=O)c2ccc(-c3cc[nH]n3)cc2)CC[N@H+]1C(C)C ZINC000077376196 454099178 /nfs/dbraw/zinc/09/91/78/454099178.db2.gz IMXWLWIKRUDWEG-KRWDZBQOSA-N 1 1 326.444 3.022 50 0 EGAAMO COc1ccc(F)c(C[N@H+]2CCC[C@]3(CCC(=O)N(C4CC4)C3)C2)c1 ZINC000077540936 454119520 /nfs/dbraw/zinc/11/95/20/454119520.db2.gz MLELYZQUPDICFW-FQEVSTJZSA-N 1 1 346.446 3.201 50 0 EGAAMO C[C@H](C1CCN(Cc2ccc(Cl)cc2)CC1)[NH+]1CCN(C)CC1 ZINC000077555216 454121922 /nfs/dbraw/zinc/12/19/22/454121922.db2.gz YVUSDAXOXKVDPV-MRXNPFEDSA-N 1 1 335.923 3.188 50 0 EGAAMO CC(C)c1nccc(C[N@H+]2CCC(=O)N(CC3CC3)[C@H](C(C)C)C2)n1 ZINC000071747910 454212955 /nfs/dbraw/zinc/21/29/55/454212955.db2.gz BKIVQGMBMSFAJE-SFHVURJKSA-N 1 1 344.503 3.069 50 0 EGAAMO O[C@@H]1CN(c2ccnc3ccccc32)CC[C@H]1[NH+]1CCCCCC1 ZINC000071748740 454213100 /nfs/dbraw/zinc/21/31/00/454213100.db2.gz VSONHHUYDZFBAC-WOJBJXKFSA-N 1 1 325.456 3.050 50 0 EGAAMO COc1ccc(-c2nc(C[N@H+](C)CC3(CO)CC3)c(C)o2)c(F)c1 ZINC000071750566 454213191 /nfs/dbraw/zinc/21/31/91/454213191.db2.gz UWHQGJCBHLDGCN-UHFFFAOYSA-N 1 1 334.391 3.002 50 0 EGAAMO COc1ccc(-c2nc(C[N@@H+](C)CC3(CO)CC3)c(C)o2)c(F)c1 ZINC000071750566 454213196 /nfs/dbraw/zinc/21/31/96/454213196.db2.gz UWHQGJCBHLDGCN-UHFFFAOYSA-N 1 1 334.391 3.002 50 0 EGAAMO O=C(C[N@@H+]1CCC[C@@H](C(=O)c2cccc3ccccc32)C1)NC1CC1 ZINC000071751490 454214392 /nfs/dbraw/zinc/21/43/92/454214392.db2.gz AKFOYBRCWXRNKK-MRXNPFEDSA-N 1 1 336.435 3.013 50 0 EGAAMO O=C(C[N@H+]1CCC[C@@H](C(=O)c2cccc3ccccc32)C1)NC1CC1 ZINC000071751490 454214398 /nfs/dbraw/zinc/21/43/98/454214398.db2.gz AKFOYBRCWXRNKK-MRXNPFEDSA-N 1 1 336.435 3.013 50 0 EGAAMO CCCNC(=O)N1CCC[N@@H+](Cc2ccc(F)cc2)[C@@H](C(C)C)C1 ZINC000071764229 454216562 /nfs/dbraw/zinc/21/65/62/454216562.db2.gz BVKWGKOJVNGZKO-GOSISDBHSA-N 1 1 335.467 3.478 50 0 EGAAMO COc1ccc(-c2nc(C[N@H+]3CCC[C@](C)(O)C3)c(C)o2)cc1OC ZINC000071767650 454217167 /nfs/dbraw/zinc/21/71/67/454217167.db2.gz VJUBXLOHMVDTKC-IBGZPJMESA-N 1 1 346.427 3.014 50 0 EGAAMO Cc1[nH+]ccn1CCC1CCN(c2nccc(-c3ccccn3)n2)CC1 ZINC000096153774 454293819 /nfs/dbraw/zinc/29/38/19/454293819.db2.gz SCZJBCDVEZAPPU-UHFFFAOYSA-N 1 1 348.454 3.350 50 0 EGAAMO Cc1n[nH]c(C)c1CCC(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000096180807 454298581 /nfs/dbraw/zinc/29/85/81/454298581.db2.gz MYFVXVPZFNLHAK-QGZVFWFLSA-N 1 1 348.878 3.032 50 0 EGAAMO Cc1[nH]c2cc(C)ccc2c1C(=O)[C@@H](C)[NH+]1CCC2(CC1)OCCO2 ZINC000061947389 454363079 /nfs/dbraw/zinc/36/30/79/454363079.db2.gz WFQOMEMDVYWHLP-OAHLLOKOSA-N 1 1 342.439 3.195 50 0 EGAAMO COc1cc(OC[C@@H]2CCC[N@H+]3CCCC[C@H]23)cc(OC)c1OC ZINC000063845577 454453994 /nfs/dbraw/zinc/45/39/94/454453994.db2.gz KEWMYXKLZXPOHY-GOEBONIOSA-N 1 1 335.444 3.356 50 0 EGAAMO Cc1ccccc1-c1ncc(C[N@H+](C)CC2(CO)CCOCC2)s1 ZINC000065383539 454557735 /nfs/dbraw/zinc/55/77/35/454557735.db2.gz OOHMDJKWHURAOG-UHFFFAOYSA-N 1 1 346.496 3.339 50 0 EGAAMO Cc1cc(C[C@@H](C)[NH2+]CC(=O)Nc2c(C)cccc2C(C)C)n[nH]1 ZINC000065403999 454559800 /nfs/dbraw/zinc/55/98/00/454559800.db2.gz AYMLBNQABINBKO-CQSZACIVSA-N 1 1 328.460 3.309 50 0 EGAAMO COc1ccc(-c2ccc([C@H](O)C[NH+]3CCOCC3)cc2)cc1Cl ZINC000065397345 454560487 /nfs/dbraw/zinc/56/04/87/454560487.db2.gz SUYPMSRPQVQLNZ-GOSISDBHSA-N 1 1 347.842 3.381 50 0 EGAAMO CCc1ccc2oc(=O)cc(C[N@@H+]3CC=C(c4cnn(C)c4)CC3)c2c1 ZINC000065457986 454570036 /nfs/dbraw/zinc/57/00/36/454570036.db2.gz KCGSDEZLJOPTNS-UHFFFAOYSA-N 1 1 349.434 3.378 50 0 EGAAMO CC[C@H](C(=O)Nc1ccccc1)[N@H+](CCO)Cc1ccc(C)s1 ZINC000252488549 455810255 /nfs/dbraw/zinc/81/02/55/455810255.db2.gz IUPBKMMMKGLPBR-QGZVFWFLSA-N 1 1 332.469 3.268 50 0 EGAAMO CC[C@H](C(=O)Nc1ccccc1)[N@@H+](CCO)Cc1ccc(C)s1 ZINC000252488549 455810259 /nfs/dbraw/zinc/81/02/59/455810259.db2.gz IUPBKMMMKGLPBR-QGZVFWFLSA-N 1 1 332.469 3.268 50 0 EGAAMO COc1ccccc1OCCC[N@H+]1CC[C@@H](n2nc(C)cc2C)C1 ZINC000252510227 455818590 /nfs/dbraw/zinc/81/85/90/455818590.db2.gz ZFBZIVSJCXSGCG-QGZVFWFLSA-N 1 1 329.444 3.224 50 0 EGAAMO CN(C)Cc1csc(C[NH+]2CCC(O)(c3ccccc3)CC2)c1 ZINC000222554259 456048318 /nfs/dbraw/zinc/04/83/18/456048318.db2.gz KKAPPSODJGHFPD-UHFFFAOYSA-N 1 1 330.497 3.293 50 0 EGAAMO O=C(c1ccsc1)N1CCC([N@H+]2CCc3sccc3C2)CC1 ZINC000225688574 456103980 /nfs/dbraw/zinc/10/39/80/456103980.db2.gz HWYVOIDUXXTJLX-UHFFFAOYSA-N 1 1 332.494 3.473 50 0 EGAAMO COCc1cc(C[N@H+]2CC[C@]3(OC)CC[C@@H](OC)C[C@H]23)ccc1OC ZINC000299769695 456779873 /nfs/dbraw/zinc/77/98/73/456779873.db2.gz PCZYYLVQYFGCNZ-YZGWKJHDSA-N 1 1 349.471 3.000 50 0 EGAAMO CC(C)(C)CCC(=O)NC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000346653300 457093158 /nfs/dbraw/zinc/09/31/58/457093158.db2.gz PGDANYFMZUGOMS-SFHVURJKSA-N 1 1 332.488 3.220 50 0 EGAAMO CC[N@H+]1CCC[C@H](NC(=O)N(C)Cc2[nH]c3ccccc3c2C)C1 ZINC000534631746 459338871 /nfs/dbraw/zinc/33/88/71/459338871.db2.gz DYKRLWMOPLZCLG-HNNXBMFYSA-N 1 1 328.460 3.102 50 0 EGAAMO COc1ccc(CNC(=O)N(C)C[C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1 ZINC000524729086 459384765 /nfs/dbraw/zinc/38/47/65/459384765.db2.gz CCGQPOPBYYLFCU-PKOBYXMFSA-N 1 1 345.487 3.101 50 0 biogenic EGAAMO CCN(CCOC)C(=O)c1ccc(-c2cc(C)c3[nH+]ccn3c2)cc1 ZINC000584895029 459819855 /nfs/dbraw/zinc/81/98/55/459819855.db2.gz BLHMNDITMAKPJY-UHFFFAOYSA-N 1 1 337.423 3.418 50 0 EGAAMO O=C(N[C@H]1CCC[N@@H+](Cc2cccs2)C1)N1CCC(F)(F)CC1 ZINC000584893128 459819912 /nfs/dbraw/zinc/81/99/12/459819912.db2.gz MHAIZGARTWOPQZ-ZDUSSCGKSA-N 1 1 343.443 3.153 50 0 EGAAMO C[N@H+]1CCCN(C(=O)Nc2ccccc2OCc2ccccc2)CC1 ZINC000299773742 523801960 /nfs/dbraw/zinc/80/19/60/523801960.db2.gz HUHBHYRAIKJBGE-UHFFFAOYSA-N 1 1 339.439 3.435 50 0 EGAAMO C[N@H+](Cc1cnc(N2CCCC2)s1)Cc1ccc2c(c1)OCO2 ZINC000670466089 548220247 /nfs/dbraw/zinc/22/02/47/548220247.db2.gz DJCFAYDZLGNDRL-UHFFFAOYSA-N 1 1 331.441 3.104 50 0 EGAAMO C[N@@H+](Cc1cnc(N2CCCC2)s1)Cc1ccc2c(c1)OCO2 ZINC000670466089 548220251 /nfs/dbraw/zinc/22/02/51/548220251.db2.gz DJCFAYDZLGNDRL-UHFFFAOYSA-N 1 1 331.441 3.104 50 0 EGAAMO O=c1c2cccc(F)c2ncn1[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000584884683 564131463 /nfs/dbraw/zinc/13/14/63/564131463.db2.gz AAHBEIBOTJJJIR-INIZCTEOSA-N 1 1 337.398 3.373 50 0 EGAAMO Cc1ccccc1CC[N@@H+]1CCC[C@@H](CN(C)Cc2ccon2)C1 ZINC000011771846 1291127746 /nfs/dbraw/zinc/12/77/46/1291127746.db2.gz BPXOSEPDYGUWEU-SFHVURJKSA-N 1 1 327.472 3.370 50 0 EGAAMO CN1CCC[C@@]2(CC[N@@H+](Cc3ccccc3OC3CCCC3)C2)C1=O ZINC000012612079 1291133231 /nfs/dbraw/zinc/13/32/31/1291133231.db2.gz YROGZGADZZWSTP-NRFANRHFSA-N 1 1 342.483 3.452 50 0 EGAAMO C/C(=C\c1ccccc1)C[N@@H+]1CCc2nnc([C@@H]3CCCO3)n2CC1 ZINC000019223901 1291192437 /nfs/dbraw/zinc/19/24/37/1291192437.db2.gz MBDIMPDJUNKOEU-ZWFBASDOSA-N 1 1 338.455 3.091 50 0 EGAAMO Cc1ccc(C)c(CC(=O)NC[C@@H]2CCC[N@@H+](Cc3ccoc3)C2)c1 ZINC000827848265 1292386690 /nfs/dbraw/zinc/38/66/90/1292386690.db2.gz ABHWLLOQQOLTNB-SFHVURJKSA-N 1 1 340.467 3.467 50 0 EGAAMO C[C@H]1CCCCN1C(=O)c1ccccc1NC(=O)C[NH+]1CCCCC1 ZINC000828072069 1292426350 /nfs/dbraw/zinc/42/63/50/1292426350.db2.gz GMJGKWFIWRDCJI-INIZCTEOSA-N 1 1 343.471 3.126 50 0 EGAAMO O=C(N[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1cc(C2CC2)no1 ZINC000885938843 1303287657 /nfs/dbraw/zinc/28/76/57/1303287657.db2.gz AUFMMMLWFHSMDH-CYBMUJFWSA-N 1 1 331.441 3.008 50 0 EGAAMO O=C(N[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1cc(C2CC2)no1 ZINC000885938843 1303287665 /nfs/dbraw/zinc/28/76/65/1303287665.db2.gz AUFMMMLWFHSMDH-CYBMUJFWSA-N 1 1 331.441 3.008 50 0 EGAAMO COc1ccccc1CC(=O)N[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000824815240 1320287484 /nfs/dbraw/zinc/28/74/84/1320287484.db2.gz DPADRZDPFZCQNE-INIZCTEOSA-N 1 1 344.480 3.080 50 0 EGAAMO Cc1ccc(NCCCNC(=O)c2cc(-c3ccsc3)n[nH]2)[nH+]c1 ZINC000825195160 1320317615 /nfs/dbraw/zinc/31/76/15/1320317615.db2.gz DEMKTFRRQSZOKN-UHFFFAOYSA-N 1 1 341.440 3.074 50 0 EGAAMO C[N@H+](Cc1cccnc1)C[C@H]1CC[C@@H](Cc2ccc(Cl)cn2)O1 ZINC000952854517 1334581476 /nfs/dbraw/zinc/58/14/76/1334581476.db2.gz NNQZNSTVBFNEDU-ZWKOTPCHSA-N 1 1 331.847 3.352 50 0 EGAAMO CCc1cc(C[NH2+]Cc2c(C)nn(-c3ccc(F)cc3)c2C)[nH]n1 ZINC000952983947 1334630223 /nfs/dbraw/zinc/63/02/23/1334630223.db2.gz YNCIYWZHZAWELO-UHFFFAOYSA-N 1 1 327.407 3.204 50 0 EGAAMO COc1ccc2ccccc2c1C[N@@H+](C)[C@H]1C[C@H]2CNC(=O)C[C@H]2C1 ZINC001704297537 1416433011 /nfs/dbraw/zinc/43/30/11/1416433011.db2.gz BBQLWQORWLDVOI-IXDOHACOSA-N 1 1 338.451 3.195 50 0 EGAAMO CCc1[nH+]ccn1CCNC(=O)[C@]1(c2ccccc2)CC12CCCC2 ZINC001704355571 1416454135 /nfs/dbraw/zinc/45/41/35/1416454135.db2.gz RJBMZNPAIXMGHG-OAQYLSRUSA-N 1 1 337.467 3.464 50 0 EGAAMO CCCOc1cc(Cl)c(C[N@@H+]2C[C@@H]3[C@H](O)C[C@@H]3C2)cc1OCC ZINC001772711674 1441417339 /nfs/dbraw/zinc/41/73/39/1441417339.db2.gz CMSNLVHIQWGYJK-IVMMDQJWSA-N 1 1 339.863 3.340 50 0 EGAAMO COc1ccc(C[N@H+]2CCCC[C@@H]2CC(=O)[O-])cc1C[NH+]1CCCC1 ZINC000097619158 219041643 /nfs/dbraw/zinc/04/16/43/219041643.db2.gz FJVJJBXBLBFAEZ-GOSISDBHSA-N 1 1 346.471 3.120 50 0 EGAAMO FC(F)(F)c1cccc(C[N@H+]2CCCC[C@H]2CN2CCOCC2)c1 ZINC000097743120 219053261 /nfs/dbraw/zinc/05/32/61/219053261.db2.gz ODFYQYWKILKNHY-KRWDZBQOSA-N 1 1 342.405 3.392 50 0 EGAAMO CCNc1ncc(C[N@H+](C)Cc2c[nH]nc2-c2ccc(F)cc2)cn1 ZINC000055090653 214272477 /nfs/dbraw/zinc/27/24/77/214272477.db2.gz LSQAYBCJWTYSMD-UHFFFAOYSA-N 1 1 340.406 3.070 50 0 EGAAMO CCNc1ncc(C[N@@H+](C)Cc2c[nH]nc2-c2ccc(F)cc2)cn1 ZINC000055090653 214272480 /nfs/dbraw/zinc/27/24/80/214272480.db2.gz LSQAYBCJWTYSMD-UHFFFAOYSA-N 1 1 340.406 3.070 50 0 EGAAMO CC(=O)Oc1c(C)cc(C[N@H+]2CCC[C@H]2Cn2cccn2)cc1C ZINC000055119175 214276674 /nfs/dbraw/zinc/27/66/74/214276674.db2.gz RHCZRWQRVHXXST-SFHVURJKSA-N 1 1 327.428 3.090 50 0 EGAAMO Fc1ccc(CN2CCC[C@]3(CC[N@H+](C4CCOCC4)C3)C2)cc1 ZINC000055252632 214295655 /nfs/dbraw/zinc/29/56/55/214295655.db2.gz VVVZZFPAHRYHDR-FQEVSTJZSA-N 1 1 332.463 3.293 50 0 EGAAMO CCNC(=O)N1CCC(Nc2cc(C)c3cc(C)ccc3[nH+]2)CC1 ZINC000055386094 214315010 /nfs/dbraw/zinc/31/50/10/214315010.db2.gz GPHSKNRMHBYMED-UHFFFAOYSA-N 1 1 326.444 3.457 50 0 EGAAMO COc1cccc([C@@H]2CCCN2C(=O)CCCn2cc[nH+]c2C)c1 ZINC000065742488 214992504 /nfs/dbraw/zinc/99/25/04/214992504.db2.gz XBUIQXZLNFTSOH-SFHVURJKSA-N 1 1 327.428 3.344 50 0 EGAAMO COc1ccc(C(=O)OC[C@@H]2CCC[N@H+]3CCCC[C@H]23)cc1OC ZINC000004028921 210103436 /nfs/dbraw/zinc/10/34/36/210103436.db2.gz XOWYEHSBYWUGHB-JKSUJKDBSA-N 1 1 333.428 3.125 50 0 biogenic EGAAMO CC(=O)NC1CC[NH+](Cc2nc(-c3cccc(Cl)c3)oc2C)CC1 ZINC000067473490 215152225 /nfs/dbraw/zinc/15/22/25/215152225.db2.gz PNIIEARQYAMMRC-UHFFFAOYSA-N 1 1 347.846 3.404 50 0 EGAAMO CC[C@H](NC(=O)c1ccco1)C1=CCC[N@@H+](Cc2ccccn2)C1 ZINC000067834081 215224103 /nfs/dbraw/zinc/22/41/03/215224103.db2.gz KWWOEOZURHNISZ-KRWDZBQOSA-N 1 1 325.412 3.015 50 0 EGAAMO Cn1nc([C@H]2CCC[N@H+](C3CCCCC3)C2)n(-c2ccccc2)c1=O ZINC000067842140 215227577 /nfs/dbraw/zinc/22/75/77/215227577.db2.gz ZKILKYKQBPXANR-INIZCTEOSA-N 1 1 340.471 3.083 50 0 EGAAMO CC(=O)N[C@H]1CC[N@H+](Cc2nc(-c3cccc(Cl)c3)oc2C)C1 ZINC000067886652 215242143 /nfs/dbraw/zinc/24/21/43/215242143.db2.gz IWXJYXIFMFJCNN-HNNXBMFYSA-N 1 1 333.819 3.014 50 0 EGAAMO CC(=O)N[C@H]1CC[N@@H+](Cc2nc(-c3cccc(Cl)c3)oc2C)C1 ZINC000067886652 215242146 /nfs/dbraw/zinc/24/21/46/215242146.db2.gz IWXJYXIFMFJCNN-HNNXBMFYSA-N 1 1 333.819 3.014 50 0 EGAAMO Cc1cc(C[N@H+]2CC[C@H](CNC(=O)c3c(F)cccc3F)C2)oc1C ZINC000067884824 215241286 /nfs/dbraw/zinc/24/12/86/215241286.db2.gz JADKHFSLNHJUMR-CQSZACIVSA-N 1 1 348.393 3.427 50 0 EGAAMO COc1ccc(CN2CC[N@@H+](C(C)C)[C@H](CCO)C2)c2ccccc12 ZINC000104304340 219373449 /nfs/dbraw/zinc/37/34/49/219373449.db2.gz FJFJVLYBTMEOOT-GOSISDBHSA-N 1 1 342.483 3.125 50 0 EGAAMO COc1ccc(C[N@@H+]2CCN(C(C)C)[C@H](CCO)C2)c2ccccc12 ZINC000104304340 219373451 /nfs/dbraw/zinc/37/34/51/219373451.db2.gz FJFJVLYBTMEOOT-GOSISDBHSA-N 1 1 342.483 3.125 50 0 EGAAMO COc1ccc(C[N@H+]2CCN(C(C)C)[C@H](CCO)C2)c2ccccc12 ZINC000104304340 219373452 /nfs/dbraw/zinc/37/34/52/219373452.db2.gz FJFJVLYBTMEOOT-GOSISDBHSA-N 1 1 342.483 3.125 50 0 EGAAMO O=C(CN1CC[NH+](Cc2cccc3ccccc32)CC1)c1ccco1 ZINC000036708327 213111817 /nfs/dbraw/zinc/11/18/17/213111817.db2.gz WZAPBEVGBFIKPI-UHFFFAOYSA-N 1 1 334.419 3.433 50 0 EGAAMO O=C(CC[N@@H+]1CCC[C@H](CCc2ccc(F)cc2)C1)N1CCCC1 ZINC000072121730 216014972 /nfs/dbraw/zinc/01/49/72/216014972.db2.gz GOAYREXTKWRBRZ-GOSISDBHSA-N 1 1 332.463 3.483 50 0 EGAAMO COc1ccnc(C[N@H+]2C[C@@H](c3ccccc3)[C@@H]3[C@H]2C2CCN3CC2)c1 ZINC000072140504 216027498 /nfs/dbraw/zinc/02/74/98/216027498.db2.gz TYFQQPLLCCYAMD-BHDDXSALSA-N 1 1 349.478 3.152 50 0 EGAAMO COc1ccnc(CN2C[C@@H](c3ccccc3)[C@@H]3[C@H]2C2CC[NH+]3CC2)c1 ZINC000072140504 216027500 /nfs/dbraw/zinc/02/75/00/216027500.db2.gz TYFQQPLLCCYAMD-BHDDXSALSA-N 1 1 349.478 3.152 50 0 EGAAMO CC(=O)C1(c2ccccc2)CC[NH+](CC(=O)N2CCCCCC2)CC1 ZINC000072143421 216029090 /nfs/dbraw/zinc/02/90/90/216029090.db2.gz FZPGGMWWSBZUJV-UHFFFAOYSA-N 1 1 342.483 3.012 50 0 EGAAMO CC(=O)NCC[C@H]1CCCC[N@H+]1Cc1cccc(OC(F)(F)F)c1 ZINC000072150061 216038419 /nfs/dbraw/zinc/03/84/19/216038419.db2.gz LSHWIQFBAMIWAJ-OAHLLOKOSA-N 1 1 344.377 3.466 50 0 EGAAMO Cc1cccc(N2CCN(C[C@@H]3CCC[N@H+]4CCCC[C@H]34)CC2)c1 ZINC000072148417 216035072 /nfs/dbraw/zinc/03/50/72/216035072.db2.gz FTWALWUGDVOYMV-PZJWPPBQSA-N 1 1 327.516 3.382 50 0 EGAAMO Cc1cccc(N2CC[NH+](C[C@@H]3CCCN4CCCC[C@H]34)CC2)c1 ZINC000072148417 216035074 /nfs/dbraw/zinc/03/50/74/216035074.db2.gz FTWALWUGDVOYMV-PZJWPPBQSA-N 1 1 327.516 3.382 50 0 EGAAMO O=C(c1cn[nH]c1-c1cccs1)N1CC[NH+](C2CCCCC2)CC1 ZINC000072328765 216153020 /nfs/dbraw/zinc/15/30/20/216153020.db2.gz KSGDZWZLBCUDCQ-UHFFFAOYSA-N 1 1 344.484 3.229 50 0 EGAAMO O=C(c1ccccc1O)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000072425555 216216215 /nfs/dbraw/zinc/21/62/15/216216215.db2.gz GAYPRLXJIHLYFR-UHFFFAOYSA-N 1 1 338.451 3.173 50 0 EGAAMO O=C1CC[C@H]2C[N@@H+](Cc3ccco3)CC[C@H]2N1CCc1cccs1 ZINC000072474529 216251230 /nfs/dbraw/zinc/25/12/30/216251230.db2.gz SPVOFIOFNRXHIX-MAUKXSAKSA-N 1 1 344.480 3.397 50 0 EGAAMO COc1ccc([C@@H]2c3cc(OC)c(OC)cc3CC[N@H+]2C)cc1OC ZINC000022342565 212292039 /nfs/dbraw/zinc/29/20/39/212292039.db2.gz KYWZIVDVIANHDJ-HXUWFJFHSA-N 1 1 343.423 3.298 50 0 EGAAMO COc1ccc([C@@H]2c3cc(OC)c(OC)cc3CC[N@@H+]2C)cc1OC ZINC000022342565 212292043 /nfs/dbraw/zinc/29/20/43/212292043.db2.gz KYWZIVDVIANHDJ-HXUWFJFHSA-N 1 1 343.423 3.298 50 0 EGAAMO CN(Cc1cc(C2CC2)[nH]n1)Cc1cc(F)ccc1-n1cccn1 ZINC000215889161 241154276 /nfs/dbraw/zinc/15/42/76/241154276.db2.gz NAQOAMHELFCQDS-UHFFFAOYSA-N 1 1 325.391 3.244 50 0 EGAAMO C[N@H+](Cc1cc(C2CC2)n[nH]1)Cc1cc(F)ccc1-n1cccn1 ZINC000215889161 241154279 /nfs/dbraw/zinc/15/42/79/241154279.db2.gz NAQOAMHELFCQDS-UHFFFAOYSA-N 1 1 325.391 3.244 50 0 EGAAMO C[N@@H+](Cc1cc(C2CC2)n[nH]1)Cc1cc(F)ccc1-n1cccn1 ZINC000215889161 241154282 /nfs/dbraw/zinc/15/42/82/241154282.db2.gz NAQOAMHELFCQDS-UHFFFAOYSA-N 1 1 325.391 3.244 50 0 EGAAMO COc1ccc(OC[C@@H]2CCC[N@@H+](Cc3ccc(OC)nc3)C2)cc1 ZINC000216180688 241170231 /nfs/dbraw/zinc/17/02/31/241170231.db2.gz SXJPSGYWLALQMN-QGZVFWFLSA-N 1 1 342.439 3.390 50 0 EGAAMO C[C@@H]1CCCC[N@H+]1C1CN(C(=O)c2ccc(-c3ccccc3)n2C)C1 ZINC000216244330 241177367 /nfs/dbraw/zinc/17/73/67/241177367.db2.gz AYFZTJNWXBBOQF-MRXNPFEDSA-N 1 1 337.467 3.391 50 0 EGAAMO COc1ccc(-n2cccn2)c(C[N@@H+](Cc2cccnc2)C2CC2)c1 ZINC000215368889 241122314 /nfs/dbraw/zinc/12/23/14/241122314.db2.gz DQZCQJBQPMLEQJ-UHFFFAOYSA-N 1 1 334.423 3.441 50 0 EGAAMO COc1ccc(-c2ncc(C[N@@H+](C)CC3CCOCC3)cn2)cc1 ZINC000215554539 241132152 /nfs/dbraw/zinc/13/21/52/241132152.db2.gz HXRLDMUNHPWWDM-UHFFFAOYSA-N 1 1 327.428 3.011 50 0 EGAAMO C[N@@H+]1CCN(Cc2nc(Cc3ccccc3)no2)C[C@@H]1c1ccccc1 ZINC000020995989 212196669 /nfs/dbraw/zinc/19/66/69/212196669.db2.gz CBMJICGDXOSGLS-LJQANCHMSA-N 1 1 348.450 3.149 50 0 EGAAMO C[N@H+]1CCN(Cc2nc(Cc3ccccc3)no2)C[C@@H]1c1ccccc1 ZINC000020995989 212196672 /nfs/dbraw/zinc/19/66/72/212196672.db2.gz CBMJICGDXOSGLS-LJQANCHMSA-N 1 1 348.450 3.149 50 0 EGAAMO C[C@@H](CC(=O)NCCc1nc2ccc(F)cc2[nH]1)[NH+]1CCCCCC1 ZINC000244748841 243076291 /nfs/dbraw/zinc/07/62/91/243076291.db2.gz OPIRYERYUOMXLW-AWEZNQCLSA-N 1 1 346.450 3.015 50 0 EGAAMO CC(C)(C)C[N@H+]1CCN(Cc2c[nH]c3ccccc23)C[C@@H]1CCO ZINC000020455143 212132291 /nfs/dbraw/zinc/13/22/91/212132291.db2.gz HNEAKKWMVUHQNZ-KRWDZBQOSA-N 1 1 329.488 3.083 50 0 EGAAMO C[C@@H]1C[NH+](CCOCCOc2ccc3ccccc3c2)C[C@@H](C)O1 ZINC000020167955 212108798 /nfs/dbraw/zinc/10/87/98/212108798.db2.gz PDFAZMXGVWNSNL-IAGOWNOFSA-N 1 1 329.440 3.344 50 0 EGAAMO CC[NH2+]CCCN1CCN(C(c2ccccc2)c2ccccc2)CC1 ZINC000019737000 212059092 /nfs/dbraw/zinc/05/90/92/212059092.db2.gz SRNZQLYMXRAICA-UHFFFAOYSA-N 1 1 337.511 3.393 50 0 EGAAMO Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+](CCCc3ccccc3)C2)cn1 ZINC000012453472 211385895 /nfs/dbraw/zinc/38/58/95/211385895.db2.gz CSQHVKRJAQLYKC-HXUWFJFHSA-N 1 1 337.467 3.217 50 0 EGAAMO Cc1ccc(C(=O)N2C[C@H]3CC[C@H](C[N@@H+]3CC3CCC3)C2)c(F)c1 ZINC000091526478 218017852 /nfs/dbraw/zinc/01/78/52/218017852.db2.gz KVHHPNTWAOJDIE-IAGOWNOFSA-N 1 1 330.447 3.471 50 0 EGAAMO Fc1cnccc1N1CCC(c2[nH+]ccn2Cc2cscn2)CC1 ZINC000091574250 218023554 /nfs/dbraw/zinc/02/35/54/218023554.db2.gz FRRIHXZJYWNVIH-UHFFFAOYSA-N 1 1 343.431 3.306 50 0 EGAAMO Nc1cc(N[C@H]2CCCc3c2cnn3-c2ccc(F)cc2F)nc[nH+]1 ZINC000091586852 218025734 /nfs/dbraw/zinc/02/57/34/218025734.db2.gz QRUALLGEJMJKIM-ZDUSSCGKSA-N 1 1 342.353 3.012 50 0 EGAAMO CC(=O)N1CCC([N@H+]2CCC[C@H](CCc3ccccc3F)C2)CC1 ZINC000011842245 211256372 /nfs/dbraw/zinc/25/63/72/211256372.db2.gz ZRLJSBWBFDHESI-QGZVFWFLSA-N 1 1 332.463 3.481 50 0 EGAAMO O=C(CCc1ccncc1)N[C@@H]1CCC[N@H+](C2CCCCCC2)C1 ZINC000011821314 211252545 /nfs/dbraw/zinc/25/25/45/211252545.db2.gz VWXXBFBFIMQVFS-GOSISDBHSA-N 1 1 329.488 3.318 50 0 EGAAMO OC[C@H]1CN(Cc2ccc3[nH]ccc3c2)C[C@H]1C[NH+]1CCCCCC1 ZINC000091746556 218058700 /nfs/dbraw/zinc/05/87/00/218058700.db2.gz SFONKJZJGUOAJR-WOJBJXKFSA-N 1 1 341.499 3.084 50 0 EGAAMO CC(=O)c1ccc(N2C[C@H]3CC[C@H](C[N@@H+]3Cc3ccccc3)C2)nc1 ZINC000092004034 218101973 /nfs/dbraw/zinc/10/19/73/218101973.db2.gz FYUOWYKEKZIERF-UYAOXDASSA-N 1 1 335.451 3.385 50 0 EGAAMO CC[C@@]1(CO)CCC[N@@H+](Cc2ccc3c4c2cccc4C(=O)OC3)C1 ZINC000092021875 218106137 /nfs/dbraw/zinc/10/61/37/218106137.db2.gz ZKYRCPXCFDNPMA-OAQYLSRUSA-N 1 1 339.435 3.495 50 0 EGAAMO Cc1cccc([C@@H](C(=O)N2CC(Oc3ccccc3F)C2)[NH+](C)C)c1 ZINC000095354824 218287745 /nfs/dbraw/zinc/28/77/45/218287745.db2.gz TWGCNVRNLFTDQB-IBGZPJMESA-N 1 1 342.414 3.027 50 0 EGAAMO CCc1cc(CN2C[C@H]3CC[C@H](C[N@@H+]3Cc3ccccc3)C2)on1 ZINC000095357379 218290547 /nfs/dbraw/zinc/29/05/47/218290547.db2.gz QMSGQGCZENBDBR-PKOBYXMFSA-N 1 1 325.456 3.333 50 0 EGAAMO Cc1cccc([C@H](C(=O)N(C)Cc2cnc3ccccc3n2)[NH+](C)C)c1 ZINC000095359016 218291237 /nfs/dbraw/zinc/29/12/37/218291237.db2.gz WLZPVTNIOFKGHN-HXUWFJFHSA-N 1 1 348.450 3.200 50 0 EGAAMO O=C(NCc1ccc(F)cc1F)[C@H]1CCC[N@@H+](Cc2ccco2)C1 ZINC000095366046 218299550 /nfs/dbraw/zinc/29/95/50/218299550.db2.gz LTJABVKUEPXGKA-AWEZNQCLSA-N 1 1 334.366 3.086 50 0 EGAAMO COC1(c2ccccc2)CCN(C(=O)CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000095361226 218294572 /nfs/dbraw/zinc/29/45/72/218294572.db2.gz XQZGQBFBHSOODS-LJQANCHMSA-N 1 1 344.499 3.415 50 0 EGAAMO Cc1ccc2nc([C@H](C)NC(=O)CCC[NH+]3CCCCC3)[nH]c2c1 ZINC000095362533 218296047 /nfs/dbraw/zinc/29/60/47/218296047.db2.gz NWURUBMALCPVKT-HNNXBMFYSA-N 1 1 328.460 3.315 50 0 EGAAMO CC(C)c1nc(CN(C)C(=O)[C@@H]2Cc3ccccc3C[N@@H+]2C)cs1 ZINC000095381111 218313540 /nfs/dbraw/zinc/31/35/40/218313540.db2.gz XMYZLQGYSMVQMW-KRWDZBQOSA-N 1 1 343.496 3.282 50 0 EGAAMO CC(C)c1nc(CN(C)C(=O)[C@@H]2Cc3ccccc3C[N@H+]2C)cs1 ZINC000095381111 218313541 /nfs/dbraw/zinc/31/35/41/218313541.db2.gz XMYZLQGYSMVQMW-KRWDZBQOSA-N 1 1 343.496 3.282 50 0 EGAAMO Fc1cnccc1N1CCC[C@H](c2[nH+]ccn2Cc2ccccn2)C1 ZINC000095384902 218316372 /nfs/dbraw/zinc/31/63/72/218316372.db2.gz CSTWZQPFQROEBE-HNNXBMFYSA-N 1 1 337.402 3.245 50 0 EGAAMO O=C(C[NH+]1CCCC1)Nc1cccc(-c2nc3ccccc3[nH]c2=O)c1 ZINC000096118922 218611134 /nfs/dbraw/zinc/61/11/34/218611134.db2.gz GAOYIHHQFOFFSS-UHFFFAOYSA-N 1 1 348.406 3.037 50 0 EGAAMO Cc1ccc2[nH]c3c(c2c1)CN(C(=O)C[N@H+]1CCCC(C)(C)C1)CC3 ZINC000004860109 210305695 /nfs/dbraw/zinc/30/56/95/210305695.db2.gz OFYVQEBEYUQUIE-UHFFFAOYSA-N 1 1 339.483 3.483 50 0 EGAAMO C[C@@H]1CCC[C@H](C)[N@@H+]1C[C@H](O)COc1ccc(Br)cc1 ZINC000004865653 210304523 /nfs/dbraw/zinc/30/45/23/210304523.db2.gz IPLAQDHNOPLIEJ-GUTXKFCHSA-N 1 1 342.277 3.452 50 0 EGAAMO Cc1cc(C(=O)NCC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cnc1C ZINC000097394100 219022020 /nfs/dbraw/zinc/02/20/20/219022020.db2.gz RALADMYZKBPJKV-LJQANCHMSA-N 1 1 337.467 3.340 50 0 EGAAMO c1cnn(Cc2ccc(C[N@H+]3CCC[C@@H](c4ccncn4)C3)cc2)c1 ZINC000097570986 219036689 /nfs/dbraw/zinc/03/66/89/219036689.db2.gz LLJFFGYEZGHLFW-LJQANCHMSA-N 1 1 333.439 3.101 50 0 EGAAMO O=C(c1cccc(-c2ccncc2F)c1)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000299775289 258086171 /nfs/dbraw/zinc/08/61/71/258086171.db2.gz JLCOCXYKXKUTIF-QGZVFWFLSA-N 1 1 339.414 3.198 50 0 EGAAMO O=C(c1cccc(-c2ccncc2F)c1)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000299775289 258086172 /nfs/dbraw/zinc/08/61/72/258086172.db2.gz JLCOCXYKXKUTIF-QGZVFWFLSA-N 1 1 339.414 3.198 50 0 EGAAMO Cc1c(Cl)cccc1NC(=O)CC[N@H+](C)[C@H](C)Cc1cnccn1 ZINC000299776444 258086453 /nfs/dbraw/zinc/08/64/53/258086453.db2.gz BRAADSOMZDYUTR-CYBMUJFWSA-N 1 1 346.862 3.330 50 0 EGAAMO Cc1nc([C@@H](C)NC(=O)C[N@H+](C)Cc2ccc(F)cc2)c(C)s1 ZINC000299781072 258090134 /nfs/dbraw/zinc/09/01/34/258090134.db2.gz KNAYBHRATXPBMQ-LLVKDONJSA-N 1 1 335.448 3.208 50 0 EGAAMO Cc1nc([C@@H](C)NC(=O)C[N@@H+](C)Cc2ccc(F)cc2)c(C)s1 ZINC000299781072 258090135 /nfs/dbraw/zinc/09/01/35/258090135.db2.gz KNAYBHRATXPBMQ-LLVKDONJSA-N 1 1 335.448 3.208 50 0 EGAAMO CC(=O)c1ccc(C(=O)NC[C@@H]2CC[N@H+](C3CCCCC3)C2)cc1 ZINC000299781535 258090155 /nfs/dbraw/zinc/09/01/55/258090155.db2.gz OOOQBPJUNZASCE-INIZCTEOSA-N 1 1 328.456 3.274 50 0 EGAAMO CCCCCc1c(O)nc(SCC[NH+](CCC)CCC)[nH]c1=O ZINC000017195868 258056771 /nfs/dbraw/zinc/05/67/71/258056771.db2.gz GQPQKUJAZNWDEH-UHFFFAOYSA-N 1 1 341.521 3.422 50 0 EGAAMO Cc1[nH+]ccn1CCC(=O)N(C)C[C@]1(c2ccccc2)CC1(C)C ZINC000299757592 258075656 /nfs/dbraw/zinc/07/56/56/258075656.db2.gz HIFPIXZLUPURLF-FQEVSTJZSA-N 1 1 325.456 3.408 50 0 EGAAMO Cc1ccc(N2C(=O)[C@@H](C[NH+]3CCOCC3)[C@@H]2c2ccccc2)cc1 ZINC000020389783 292127613 /nfs/dbraw/zinc/12/76/13/292127613.db2.gz XFGAVBLXVPVPTH-PMACEKPBSA-N 1 1 336.435 3.031 50 0 EGAAMO CN(Cc1ccoc1)C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000339866287 155009040 /nfs/dbraw/zinc/00/90/40/155009040.db2.gz IRDHDLCHULRGFS-GOSISDBHSA-N 1 1 327.428 3.086 50 0 EGAAMO Cc1ccc(C)c(OCC[N@H+]2CCC[C@H](c3nnc4n3CCC4)C2)c1 ZINC000195520686 266187028 /nfs/dbraw/zinc/18/70/28/266187028.db2.gz NLTQDNZROSORDJ-KRWDZBQOSA-N 1 1 340.471 3.100 50 0 EGAAMO Oc1cc(-c2cccnc2)cc2c1OCC[N@@H+](CCc1ccccn1)C2 ZINC000067772272 275060557 /nfs/dbraw/zinc/06/05/57/275060557.db2.gz CTIHSJJGVIWUGN-UHFFFAOYSA-N 1 1 347.418 3.286 50 0 EGAAMO CC[C@@H](CO)[N@@H+](Cc1ccco1)Cc1ccccc1Cn1cccn1 ZINC000055392926 280148093 /nfs/dbraw/zinc/14/80/93/280148093.db2.gz NSDRVLKVYKFUQH-IBGZPJMESA-N 1 1 339.439 3.298 50 0 EGAAMO Cc1cc(Nc2cccc(C(F)(F)F)c2)nc(N2CCOCC2)[nH+]1 ZINC000000123036 452514247 /nfs/dbraw/zinc/51/42/47/452514247.db2.gz OXDUHTORVSFKFN-UHFFFAOYSA-N 1 1 338.333 3.384 50 0 EGAAMO COc1ccc(C[NH+]2CCN(c3ccccc3OC)CC2)c(OC)c1 ZINC000000292127 452554283 /nfs/dbraw/zinc/55/42/83/452554283.db2.gz JDTGEVGGHQIWMP-UHFFFAOYSA-N 1 1 342.439 3.035 50 0 EGAAMO CCOC(=O)c1ccc(C(=O)c2cccc(C[NH+]3CC=CC3)c2)cc1 ZINC000002515388 452701509 /nfs/dbraw/zinc/70/15/09/452701509.db2.gz HBRDJACTSWDEOE-UHFFFAOYSA-N 1 1 335.403 3.466 50 0 EGAAMO Cc1cc(C)cc(NC(=O)CC[N@@H+](CCO)Cc2ccccc2)c1 ZINC000002765310 452721177 /nfs/dbraw/zinc/72/11/77/452721177.db2.gz XNXJPBOOLXUJOR-UHFFFAOYSA-N 1 1 326.440 3.127 50 0 EGAAMO Cc1cc(C)c2c(c1)[nH]c(C)c(C[N@H+](C)C1CCN(C)CC1)c2=O ZINC000008717430 453226648 /nfs/dbraw/zinc/22/66/48/453226648.db2.gz AUAYGJOWVZKOBH-UHFFFAOYSA-N 1 1 327.472 3.392 50 0 EGAAMO Cc1cc(C)c2c(c1)[nH]c(C)c(CN(C)C1CC[NH+](C)CC1)c2=O ZINC000008717430 453226654 /nfs/dbraw/zinc/22/66/54/453226654.db2.gz AUAYGJOWVZKOBH-UHFFFAOYSA-N 1 1 327.472 3.392 50 0 EGAAMO COc1ccc(F)c(C[N@H+]2CC[C@@]3(C2)CCCN(CC2CC2)C3=O)c1 ZINC000012717294 453393099 /nfs/dbraw/zinc/39/30/99/453393099.db2.gz FBEWICNOWISBPM-HXUWFJFHSA-N 1 1 346.446 3.059 50 0 EGAAMO O=C(c1c(F)cccc1Cl)N1CC[NH+](CCc2ccccc2)CC1 ZINC000013329807 453458857 /nfs/dbraw/zinc/45/88/57/453458857.db2.gz JLKOCOUOKRDKIF-UHFFFAOYSA-N 1 1 346.833 3.480 50 0 EGAAMO CC(C)CC[C@]1(CC(=O)N2CC[NH+](C)CC2)CCO[C@H](C(C)C)C1 ZINC000013550983 453471047 /nfs/dbraw/zinc/47/10/47/453471047.db2.gz GJWCMTGDMBVCMD-ICSRJNTNSA-N 1 1 338.536 3.408 50 0 EGAAMO CCN1C[C@@H](C[N@@H+](C)Cc2nc(-c3ccc(F)cc3)oc2C)CC1=O ZINC000014961080 453549581 /nfs/dbraw/zinc/54/95/81/453549581.db2.gz ZDTIMGZNVIKBIB-CQSZACIVSA-N 1 1 345.418 3.089 50 0 EGAAMO Cc1cc(CN(C)C[C@H]2CCC[N@@H+](CCc3ccc(F)cc3)C2)[nH]n1 ZINC000015071104 453554511 /nfs/dbraw/zinc/55/45/11/453554511.db2.gz ZRSYQHOEDIEXQJ-GOSISDBHSA-N 1 1 344.478 3.244 50 0 EGAAMO Cc1cc(CN(C)C[C@H]2CCC[N@H+](CCc3ccc(F)cc3)C2)n[nH]1 ZINC000015071104 453554520 /nfs/dbraw/zinc/55/45/20/453554520.db2.gz ZRSYQHOEDIEXQJ-GOSISDBHSA-N 1 1 344.478 3.244 50 0 EGAAMO Cc1cc(CN(C)C[C@H]2CCC[N@@H+](CCc3ccc(F)cc3)C2)n[nH]1 ZINC000015071104 453554526 /nfs/dbraw/zinc/55/45/26/453554526.db2.gz ZRSYQHOEDIEXQJ-GOSISDBHSA-N 1 1 344.478 3.244 50 0 EGAAMO Cc1cccc2[nH]c(C3CCN(C(=O)[C@H]4CCCC[N@@H+]4C)CC3)nc21 ZINC000082127185 453925594 /nfs/dbraw/zinc/92/55/94/453925594.db2.gz QNZARYAVOOXYJL-QGZVFWFLSA-N 1 1 340.471 3.062 50 0 EGAAMO Cc1cccc2nc(C3CCN(C(=O)[C@H]4CCCC[N@H+]4C)CC3)[nH]c21 ZINC000082127185 453925597 /nfs/dbraw/zinc/92/55/97/453925597.db2.gz QNZARYAVOOXYJL-QGZVFWFLSA-N 1 1 340.471 3.062 50 0 EGAAMO Cc1cccc2nc(C3CCN(C(=O)[C@H]4CCCC[N@@H+]4C)CC3)[nH]c21 ZINC000082127185 453925600 /nfs/dbraw/zinc/92/56/00/453925600.db2.gz QNZARYAVOOXYJL-QGZVFWFLSA-N 1 1 340.471 3.062 50 0 EGAAMO CN1CC[N@@H+](C)CC12CCN(c1ccc3cccc(Cl)c3n1)CC2 ZINC000067713753 453960235 /nfs/dbraw/zinc/96/02/35/453960235.db2.gz GNWPRYBJGBYESQ-UHFFFAOYSA-N 1 1 344.890 3.104 50 0 EGAAMO O=C(NC[C@H]1CC[N@H+](Cc2ccccc2OC(F)F)C1)C1CCC1 ZINC000067724845 453960668 /nfs/dbraw/zinc/96/06/68/453960668.db2.gz VZCYPCKZAGYRGU-CYBMUJFWSA-N 1 1 338.398 3.026 50 0 EGAAMO COc1cccc(C[N@H+]2CCC[C@@]3(CCC(=O)N(C4CC4)C3)C2)c1 ZINC000077440531 454106277 /nfs/dbraw/zinc/10/62/77/454106277.db2.gz IQMLTJARSVZNGD-HXUWFJFHSA-N 1 1 328.456 3.062 50 0 EGAAMO CSc1ccccc1C[N@H+]1CCCC[C@@H]1CCN1CCOCC1 ZINC000077505029 454115525 /nfs/dbraw/zinc/11/55/25/454115525.db2.gz IUFMLVZWTUSZJP-GOSISDBHSA-N 1 1 334.529 3.485 50 0 EGAAMO O=c1[nH]c2ccccc2cc1C[N@@H+]1CCO[C@@H](CCc2ccccc2)C1 ZINC000071415566 454206065 /nfs/dbraw/zinc/20/60/65/454206065.db2.gz VGJRDJFTBYZAPR-FQEVSTJZSA-N 1 1 348.446 3.362 50 0 EGAAMO O=c1[nH]c2ccccc2cc1C[N@H+]1CCO[C@@H](CCc2ccccc2)C1 ZINC000071415566 454206067 /nfs/dbraw/zinc/20/60/67/454206067.db2.gz VGJRDJFTBYZAPR-FQEVSTJZSA-N 1 1 348.446 3.362 50 0 EGAAMO CC[C@H]1C[N@@H+](CCc2ccccn2)CCC(=O)N1Cc1ccccc1 ZINC000071749169 454213504 /nfs/dbraw/zinc/21/35/04/454213504.db2.gz LFFXUKAPYOJDNS-FQEVSTJZSA-N 1 1 337.467 3.137 50 0 EGAAMO CC[C@H]1C[N@@H+](Cc2cccc(O)c2)CCC(=O)N1Cc1ccccc1 ZINC000071752499 454214858 /nfs/dbraw/zinc/21/48/58/454214858.db2.gz HIWICIYZNDVOCB-IBGZPJMESA-N 1 1 338.451 3.405 50 0 EGAAMO Cc1cc(C)c(CNC(=O)CC[C@@H]2CCC[N@H+]3CCCC[C@H]23)cn1 ZINC000095523455 454228232 /nfs/dbraw/zinc/22/82/32/454228232.db2.gz GFNQFYZUODRTQB-PKOBYXMFSA-N 1 1 329.488 3.359 50 0 EGAAMO Cc1nnc(CN2CCC3(C[C@@H](c4ccccc4)C[N@@H+]3C)CC2)s1 ZINC000095527877 454228518 /nfs/dbraw/zinc/22/85/18/454228518.db2.gz LYYHUCRRAKVTEV-QGZVFWFLSA-N 1 1 342.512 3.300 50 0 EGAAMO Cc1nn(C)c2nc(NCC[C@@H]3CCC[N@H+]4CCCC[C@H]34)sc12 ZINC000095530197 454228610 /nfs/dbraw/zinc/22/86/10/454228610.db2.gz BTEQELFRRMBMSU-UONOGXRCSA-N 1 1 333.505 3.405 50 0 EGAAMO CN(C)C(=O)C[N@H+]1CCC[C@H](CCc2ccccc2C(F)(F)F)C1 ZINC000072143514 454272634 /nfs/dbraw/zinc/27/26/34/454272634.db2.gz HWLNHAXNLJVOHZ-CQSZACIVSA-N 1 1 342.405 3.438 50 0 EGAAMO C[C@@H](C(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1)n1cccc1 ZINC000131879935 454293978 /nfs/dbraw/zinc/29/39/78/454293978.db2.gz QAMNOKFKOISLDT-IBGZPJMESA-N 1 1 339.483 3.216 50 0 EGAAMO CC[C@@H](CO)[N@@H+](Cc1ccc(OC)c(O)c1)Cc1ccccc1C ZINC000063871535 454457817 /nfs/dbraw/zinc/45/78/17/454457817.db2.gz FDJXNMPBQDIHMN-SFHVURJKSA-N 1 1 329.440 3.482 50 0 EGAAMO COc1ccc(CN2CC[N@H+](Cc3cccc(F)c3)CCC2=O)cc1 ZINC000064074542 454465913 /nfs/dbraw/zinc/46/59/13/454465913.db2.gz QLKVVFCHIWXXPS-UHFFFAOYSA-N 1 1 342.414 3.069 50 0 EGAAMO COc1ccc(CN2CC[N@@H+](Cc3cccc(F)c3)CCC2=O)cc1 ZINC000064074542 454465917 /nfs/dbraw/zinc/46/59/17/454465917.db2.gz QLKVVFCHIWXXPS-UHFFFAOYSA-N 1 1 342.414 3.069 50 0 EGAAMO Cc1[nH+]ccn1Cc1nc(-c2ccc(F)c(Br)c2)no1 ZINC000065224643 454539840 /nfs/dbraw/zinc/53/98/40/454539840.db2.gz LOBHAJAABSJJFG-UHFFFAOYSA-N 1 1 337.152 3.191 50 0 EGAAMO CN(C)[C@@H]1C[C@@H](CO)[N@H+](Cc2ccc(-c3ccccc3Cl)o2)C1 ZINC000065372344 454555268 /nfs/dbraw/zinc/55/52/68/454555268.db2.gz CNTIAYXZVSROIW-KGLIPLIRSA-N 1 1 334.847 3.097 50 0 EGAAMO CN(C)[C@@H]1C[C@@H](CO)[N@@H+](Cc2ccc(-c3ccccc3Cl)o2)C1 ZINC000065372344 454555274 /nfs/dbraw/zinc/55/52/74/454555274.db2.gz CNTIAYXZVSROIW-KGLIPLIRSA-N 1 1 334.847 3.097 50 0 EGAAMO CC(=O)N(C)Cc1cc(C2=CCC[N@H+](Cc3ccc(F)cc3)C2)no1 ZINC000065394895 454559189 /nfs/dbraw/zinc/55/91/89/454559189.db2.gz CKEFWJBLOFVLOJ-UHFFFAOYSA-N 1 1 343.402 3.081 50 0 EGAAMO CC(=O)N(C)Cc1cc(C2=CCC[N@@H+](Cc3ccc(F)cc3)C2)no1 ZINC000065394895 454559194 /nfs/dbraw/zinc/55/91/94/454559194.db2.gz CKEFWJBLOFVLOJ-UHFFFAOYSA-N 1 1 343.402 3.081 50 0 EGAAMO C[N@@H+](CCC[C@@H]1CCCO1)CC(=O)Nc1ccc(Cl)cc1F ZINC000065409316 454561973 /nfs/dbraw/zinc/56/19/73/454561973.db2.gz PQDBMWYBBUVLDV-CYBMUJFWSA-N 1 1 328.815 3.309 50 0 EGAAMO Cn1cnnc1Sc1ccc(C[N@@H+](C)C2Cc3ccccc3C2)o1 ZINC000065420416 454564588 /nfs/dbraw/zinc/56/45/88/454564588.db2.gz FPZFTQWFKGGQEY-UHFFFAOYSA-N 1 1 340.452 3.159 50 0 EGAAMO Cc1[nH+]ccn1CCc1nc(CC(C)C)nn1-c1ccccc1F ZINC000065491327 454577552 /nfs/dbraw/zinc/57/75/52/454577552.db2.gz KGGLJGLCOOEFKB-UHFFFAOYSA-N 1 1 327.407 3.353 50 0 EGAAMO CC(C)c1[nH+]ccn1[C@H](C)C(=O)N(C)Cc1noc(C2CCCC2)n1 ZINC000065505741 454579375 /nfs/dbraw/zinc/57/93/75/454579375.db2.gz FGXOHCDPJCHVLZ-CYBMUJFWSA-N 1 1 345.447 3.267 50 0 EGAAMO COc1ccccc1/C=C/CN1CC[N@@H+](CCC(C)C)[C@H](CCO)C1 ZINC000105273597 454632420 /nfs/dbraw/zinc/63/24/20/454632420.db2.gz FHWLUPWASBPFNA-CPSHHHPTSA-N 1 1 346.515 3.123 50 0 EGAAMO O=C(Cc1ccsc1)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000170636530 454945440 /nfs/dbraw/zinc/94/54/40/454945440.db2.gz MGMSKJSXBARNQE-UHFFFAOYSA-N 1 1 342.508 3.458 50 0 EGAAMO COCCn1cncc1C[N@H+]1CCC[C@H](Cc2ccc(F)cc2)C1 ZINC000252500573 455815192 /nfs/dbraw/zinc/81/51/92/455815192.db2.gz SXZXLPHYUZDAJT-QGZVFWFLSA-N 1 1 331.435 3.123 50 0 EGAAMO COCC1(CNC(=O)[C@H]2CCCC[N@H+]2Cc2ccccc2)CCCC1 ZINC000222853250 456051094 /nfs/dbraw/zinc/05/10/94/456051094.db2.gz ZLFZRVPXOYFACY-LJQANCHMSA-N 1 1 344.499 3.364 50 0 EGAAMO CC[N@H+](Cc1cnc(-c2ccc(OC)cc2)nc1)C[C@H]1CCCO1 ZINC000230466482 456138798 /nfs/dbraw/zinc/13/87/98/456138798.db2.gz QJZNKBIEJBTUNB-GOSISDBHSA-N 1 1 327.428 3.153 50 0 EGAAMO CO[C@]12CC[N@@H+](Cc3ncccc3C)[C@H]1C[C@@H](OCC1CC1)CC2 ZINC000426444870 457831530 /nfs/dbraw/zinc/83/15/30/457831530.db2.gz DUCUNXGATBZLMM-YSIASYRMSA-N 1 1 330.472 3.329 50 0 EGAAMO C[C@@H](CCNc1ccc2cccc(Cl)c2n1)N1CC[NH+](C)CC1 ZINC000534670090 478168996 /nfs/dbraw/zinc/16/89/96/478168996.db2.gz OBFYVZPHMYQARK-AWEZNQCLSA-N 1 1 332.879 3.326 50 0 EGAAMO CCc1[nH+]ccn1CCC(=O)NC[C@]1(c2ccccc2)CC1(C)C ZINC000670452740 548218209 /nfs/dbraw/zinc/21/82/09/548218209.db2.gz BDGRLQRTFKFKAF-FQEVSTJZSA-N 1 1 325.456 3.320 50 0 EGAAMO Cc1cc(C(=O)N2C[C@H]3CCC[C@@H](C2)[N@@H+](C)C3)c2cc(F)ccc2n1 ZINC000670465168 548220561 /nfs/dbraw/zinc/22/05/61/548220561.db2.gz KQLDSWPMPSJPGG-HOCLYGCPSA-N 1 1 341.430 3.239 50 0 EGAAMO COc1ccc(C[N@H+]2CC[C@@]3(C2)CCCN(CC2CC2)C3=O)cc1F ZINC000011715591 1291128417 /nfs/dbraw/zinc/12/84/17/1291128417.db2.gz SRMQZSZMFPPVHL-HXUWFJFHSA-N 1 1 346.446 3.059 50 0 EGAAMO COc1ccc(Cl)cc1NC(=O)N1CCC[N@H+](C2CCC2)CC1 ZINC000824731933 1320280657 /nfs/dbraw/zinc/28/06/57/1320280657.db2.gz DIVZXINVUYZZLN-UHFFFAOYSA-N 1 1 337.851 3.441 50 0 EGAAMO CCCn1c(C)nc2cc(NC(=O)C[N@H+]3CCC[C@@H](C)C3)ccc21 ZINC000952964146 1334625333 /nfs/dbraw/zinc/62/53/33/1334625333.db2.gz BOWNYHXBCWJEON-CQSZACIVSA-N 1 1 328.460 3.425 50 0 EGAAMO C[N@H+]1CCCCC[C@H]1C(=O)NCCCc1nc2ccccc2s1 ZINC000952992149 1334632117 /nfs/dbraw/zinc/63/21/17/1334632117.db2.gz XTBBPCQMTSWUTA-HNNXBMFYSA-N 1 1 331.485 3.220 50 0 EGAAMO O=C(N[C@H]1CC[N@H+](Cc2ccsc2)C1)c1ccc(Cl)s1 ZINC001016171945 1338490049 /nfs/dbraw/zinc/49/00/49/1338490049.db2.gz PYJMCNNQZWWVHB-NSHDSACASA-N 1 1 326.874 3.467 50 0 EGAAMO O=C(N[C@H]1CC[N@@H+](Cc2ccsc2)C1)c1ccc(Cl)s1 ZINC001016171945 1338490050 /nfs/dbraw/zinc/49/00/50/1338490050.db2.gz PYJMCNNQZWWVHB-NSHDSACASA-N 1 1 326.874 3.467 50 0 EGAAMO CO[C@@H]1CCC[C@@]12CCC[N@@H+](CC(=O)NC1CCCCCCC1)C2 ZINC001704301058 1416433104 /nfs/dbraw/zinc/43/31/04/1416433104.db2.gz IGOUDYUSHWKIHU-QUCCMNQESA-N 1 1 336.520 3.497 50 0 EGAAMO Cc1ncsc1C[N@H+]1C[C@H](O)[C@H](Cc2ccnc3ccccc23)C1 ZINC001704302513 1416433864 /nfs/dbraw/zinc/43/38/64/1416433864.db2.gz NTECPFOZVIXZGU-QAPCUYQASA-N 1 1 339.464 3.035 50 0 EGAAMO Cc1ncc(CN(CCO)C(=O)[C@H](c2ccc(Cl)cc2)C(C)C)[nH]1 ZINC001704314169 1416439593 /nfs/dbraw/zinc/43/95/93/1416439593.db2.gz QYEDWUNXNMZHKQ-KRWDZBQOSA-N 1 1 349.862 3.132 50 0 EGAAMO CCc1[nH+]ccn1CCNC(=O)CSCc1ccccc1Cl ZINC001704348823 1416452327 /nfs/dbraw/zinc/45/23/27/1416452327.db2.gz HGIMJBJVXPGTHC-UHFFFAOYSA-N 1 1 337.876 3.149 50 0 EGAAMO CC(C)N1C[C@H](C[N@@H+]2CCOc3ccc(Cl)cc3C2)CCC1=O ZINC001772817961 1441417765 /nfs/dbraw/zinc/41/77/65/1441417765.db2.gz KLJUNISQCWDTKC-AWEZNQCLSA-N 1 1 336.863 3.181 50 0 EGAAMO CC(C)N1C[C@H](C[N@H+]2CCOc3ccc(Cl)cc3C2)CCC1=O ZINC001772817961 1441417766 /nfs/dbraw/zinc/41/77/66/1441417766.db2.gz KLJUNISQCWDTKC-AWEZNQCLSA-N 1 1 336.863 3.181 50 0 EGAAMO CC(C)C[N@@H+](Cc1cnn(C)c1)Cc1ccc(C(F)(F)F)nc1 ZINC000055168196 214282856 /nfs/dbraw/zinc/28/28/56/214282856.db2.gz RTMOCWNKKBRADI-UHFFFAOYSA-N 1 1 326.366 3.492 50 0 EGAAMO Cc1ccsc1CNc1ccccc1C(=O)N(C)[C@@H]1CC[N@@H+](C)C1 ZINC000055211175 214288853 /nfs/dbraw/zinc/28/88/53/214288853.db2.gz JFBZSVYXEPTGJA-OAHLLOKOSA-N 1 1 343.496 3.445 50 0 EGAAMO Cc1ccccc1CCN1CCC[C@H](C[N@@H+](C)C2CCOCC2)C1 ZINC000055199843 214289118 /nfs/dbraw/zinc/28/91/18/214289118.db2.gz FMONFHPNPOQMBT-LJQANCHMSA-N 1 1 330.516 3.360 50 0 EGAAMO Cc1ccccc1CCN1CCC[C@H](C[N@H+](C)C2CCOCC2)C1 ZINC000055199843 214289121 /nfs/dbraw/zinc/28/91/21/214289121.db2.gz FMONFHPNPOQMBT-LJQANCHMSA-N 1 1 330.516 3.360 50 0 EGAAMO CCOc1cccc(C[N@H+](Cc2cnc(COC)nc2)C2CC2)c1 ZINC000055359645 214312048 /nfs/dbraw/zinc/31/20/48/214312048.db2.gz OQBUEGQAWUVFNK-UHFFFAOYSA-N 1 1 327.428 3.186 50 0 EGAAMO CCOc1cccc(C[N@@H+](Cc2cnc(COC)nc2)C2CC2)c1 ZINC000055359645 214312050 /nfs/dbraw/zinc/31/20/50/214312050.db2.gz OQBUEGQAWUVFNK-UHFFFAOYSA-N 1 1 327.428 3.186 50 0 EGAAMO COCC[N@@H+](Cc1cccn1-c1ncccn1)Cc1ccc(C)cc1 ZINC000055370676 214314668 /nfs/dbraw/zinc/31/46/68/214314668.db2.gz OXMPDBKVCOGMEG-UHFFFAOYSA-N 1 1 336.439 3.224 50 0 EGAAMO Clc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2ccccc2OC3)cc1 ZINC000001250000 282511615 /nfs/dbraw/zinc/51/16/15/282511615.db2.gz SSTZHRGLRAWBCK-QGZVFWFLSA-N 1 1 336.782 3.403 50 0 EGAAMO O=C(C[C@H]1CCc2ccccc21)NCCC1=CSC2=[NH+]CCCN12 ZINC000102757979 219228463 /nfs/dbraw/zinc/22/84/63/219228463.db2.gz IRULRVRRCIGICD-OAHLLOKOSA-N 1 1 341.480 3.263 50 0 EGAAMO CCc1ccc(C[N@@H+](C)Cc2cc3ccc(F)cc3[nH]c2=O)nc1 ZINC000067675362 215180449 /nfs/dbraw/zinc/18/04/49/215180449.db2.gz GIZIQOINGARAPG-UHFFFAOYSA-N 1 1 325.387 3.257 50 0 EGAAMO CC(=O)c1cccc(C[N@H+]2CC[C@H](CNC(=O)c3ccccc3)C2)c1 ZINC000067742574 215201420 /nfs/dbraw/zinc/20/14/20/215201420.db2.gz NXYFVZFLBFYAET-GOSISDBHSA-N 1 1 336.435 3.141 50 0 EGAAMO COc1cc(-c2ccc(C)s2)cc2c1OCC[N@H+](C[C@@H](C)O)C2 ZINC000067786302 215212480 /nfs/dbraw/zinc/21/24/80/215212480.db2.gz MUSVOZMMYJDYQR-GFCCVEGCSA-N 1 1 333.453 3.307 50 0 EGAAMO COc1cc(-c2ccc(C)s2)cc2c1OCC[N@@H+](C[C@@H](C)O)C2 ZINC000067786302 215212481 /nfs/dbraw/zinc/21/24/81/215212481.db2.gz MUSVOZMMYJDYQR-GFCCVEGCSA-N 1 1 333.453 3.307 50 0 EGAAMO CCC[N@@H+]1CCc2nc[nH]c2[C@@H]1c1c[nH]nc1-c1ccc(OC)cc1 ZINC000067804372 215216019 /nfs/dbraw/zinc/21/60/19/215216019.db2.gz XXTBTXIVRUQVIF-IBGZPJMESA-N 1 1 337.427 3.166 50 0 EGAAMO CCC[N@H+]1CCc2nc[nH]c2[C@@H]1c1c[nH]nc1-c1ccc(OC)cc1 ZINC000067804372 215216022 /nfs/dbraw/zinc/21/60/22/215216022.db2.gz XXTBTXIVRUQVIF-IBGZPJMESA-N 1 1 337.427 3.166 50 0 EGAAMO Cc1occc1C(=O)NCC[C@@H]1CCC[N@@H+](Cc2cccc(O)c2)C1 ZINC000067867596 215234282 /nfs/dbraw/zinc/23/42/82/215234282.db2.gz BCNMROUPRJMGNC-INIZCTEOSA-N 1 1 342.439 3.326 50 0 EGAAMO COC[C@H]1CCCC[N@H+]1Cc1cnc2c(-c3ccccc3)cnn2c1 ZINC000067895502 215243916 /nfs/dbraw/zinc/24/39/16/215243916.db2.gz OHKZVKROTKVKJC-GOSISDBHSA-N 1 1 336.439 3.397 50 0 EGAAMO O=C(Nc1cnc2n1CCCC2)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000067909550 215249094 /nfs/dbraw/zinc/24/90/94/215249094.db2.gz CCRXXYYTQMZQFQ-KRWDZBQOSA-N 1 1 338.455 3.213 50 0 EGAAMO O=C(Nc1cnc2n1CCCC2)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000067909550 215249097 /nfs/dbraw/zinc/24/90/97/215249097.db2.gz CCRXXYYTQMZQFQ-KRWDZBQOSA-N 1 1 338.455 3.213 50 0 EGAAMO CCc1oc2ccccc2c1C[N@H+]1CC[C@H](CNC(=O)C(F)F)C1 ZINC000067947092 215256796 /nfs/dbraw/zinc/25/67/96/215256796.db2.gz RSPRRCMJJMZGSE-GFCCVEGCSA-N 1 1 336.382 3.198 50 0 EGAAMO CCc1cc(C[N@@H+]2CC[C@@H](c3ccc4ccccc4c3)[C@H](O)C2)[nH]n1 ZINC000067954471 215258774 /nfs/dbraw/zinc/25/87/74/215258774.db2.gz PWDOFRHKRMKGSJ-LEWJYISDSA-N 1 1 335.451 3.476 50 0 EGAAMO CCc1cc(C[N@H+]2CC[C@@H](c3ccc4ccccc4c3)[C@H](O)C2)[nH]n1 ZINC000067954471 215258778 /nfs/dbraw/zinc/25/87/78/215258778.db2.gz PWDOFRHKRMKGSJ-LEWJYISDSA-N 1 1 335.451 3.476 50 0 EGAAMO CCCN(C(=O)c1csnn1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000069348955 215382819 /nfs/dbraw/zinc/38/28/19/215382819.db2.gz LXMCBEAQMHPSKK-MRXNPFEDSA-N 1 1 344.484 3.055 50 0 EGAAMO CN(C)C(=O)CC[C@@H]1CCC[N@@H+](Cc2cc3cc(F)ccc3n2C)C1 ZINC000072125638 216016939 /nfs/dbraw/zinc/01/69/39/216016939.db2.gz XRKFGLCRMUHCKI-HNNXBMFYSA-N 1 1 345.462 3.398 50 0 EGAAMO O=C(C1CCC1)N1C[C@H](c2cccc(F)c2F)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000072134743 216024131 /nfs/dbraw/zinc/02/41/31/216024131.db2.gz NSAUILWOCXTKSI-ATZDWAIDSA-N 1 1 346.421 3.154 50 0 EGAAMO COc1ccccc1[C@@H]1C[N@@H+](Cc2ccccn2)[C@H]2[C@@H]1N1CCC2CC1 ZINC000072156375 216046057 /nfs/dbraw/zinc/04/60/57/216046057.db2.gz RFVUXBWCJLWLHX-KSEOMHKRSA-N 1 1 349.478 3.152 50 0 EGAAMO COc1ccccc1[C@@H]1CN(Cc2ccccn2)[C@H]2[C@@H]1[NH+]1CCC2CC1 ZINC000072156375 216046059 /nfs/dbraw/zinc/04/60/59/216046059.db2.gz RFVUXBWCJLWLHX-KSEOMHKRSA-N 1 1 349.478 3.152 50 0 EGAAMO COc1ccc(CN2CCC[N@@H+](Cc3cccs3)CC2)c(OC)c1 ZINC000072166348 216056530 /nfs/dbraw/zinc/05/65/30/216056530.db2.gz TVDSDRBLOHTVDE-UHFFFAOYSA-N 1 1 346.496 3.473 50 0 EGAAMO CC(C)CN1C(=O)CC[C@H]2C[N@@H+](Cc3nc4ccccc4[nH]3)CC[C@H]21 ZINC000072406796 216196580 /nfs/dbraw/zinc/19/65/80/216196580.db2.gz CGPPVCVVFAFLIN-MAUKXSAKSA-N 1 1 340.471 3.032 50 0 EGAAMO CC(C)CN1C(=O)CC[C@H]2C[N@H+](Cc3nc4ccccc4[nH]3)CC[C@H]21 ZINC000072406796 216196583 /nfs/dbraw/zinc/19/65/83/216196583.db2.gz CGPPVCVVFAFLIN-MAUKXSAKSA-N 1 1 340.471 3.032 50 0 EGAAMO Cc1nc(C[N@H+]2CCCC23CCN(c2cccc(C)n2)CC3)co1 ZINC000072412375 216205276 /nfs/dbraw/zinc/20/52/76/216205276.db2.gz KHRCLAWWJNLWLM-UHFFFAOYSA-N 1 1 326.444 3.321 50 0 EGAAMO CC[N@@H+](CCO)Cc1cn(-c2cccc(F)c2)nc1-c1ccc(C)o1 ZINC000072419844 216208799 /nfs/dbraw/zinc/20/87/99/216208799.db2.gz YRBICGZANYFEJB-UHFFFAOYSA-N 1 1 343.402 3.394 50 0 EGAAMO Cc1oc(-c2ccccc2Cl)nc1C[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000072421486 216210743 /nfs/dbraw/zinc/21/07/43/216210743.db2.gz NCSSCIBSCOCRLV-LBPRGKRZSA-N 1 1 333.819 3.001 50 0 EGAAMO Cc1ncsc1CCC(=O)N1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000072424074 216213907 /nfs/dbraw/zinc/21/39/07/216213907.db2.gz HKUXFEVIVIFVHY-UHFFFAOYSA-N 1 1 343.496 3.037 50 0 EGAAMO CCCc1oncc1C(=O)N[C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000072430597 216223978 /nfs/dbraw/zinc/22/39/78/216223978.db2.gz IXEHEDUVKSNVAV-QGZVFWFLSA-N 1 1 341.455 3.064 50 0 EGAAMO O=C1CC[C@]2(CCC[N@@H+](Cc3ccncc3)C2)CN1Cc1ccccc1 ZINC000072447120 216237171 /nfs/dbraw/zinc/23/71/71/216237171.db2.gz PMHVLBQNSIOUPJ-QFIPXVFZSA-N 1 1 349.478 3.486 50 0 EGAAMO C[C@H](C1CCN(Cc2cnc(-c3ccco3)nc2)CC1)[NH+]1CCCC1 ZINC000072474473 216251319 /nfs/dbraw/zinc/25/13/19/216251319.db2.gz MFFVJYFZDCSBAP-MRXNPFEDSA-N 1 1 340.471 3.433 50 0 EGAAMO C[C@H]1CCCC[N@H+]1C1CN(C(=O)c2cccc(CCC(C)(C)O)c2)C1 ZINC000072477092 216255053 /nfs/dbraw/zinc/25/50/53/216255053.db2.gz KACMLYFVFJGRED-INIZCTEOSA-N 1 1 344.499 3.089 50 0 EGAAMO Cc1noc2ncnc(N[C@H]3CCC[N@@H+](CC4CCCCC4)C3)c12 ZINC000072480986 216262202 /nfs/dbraw/zinc/26/22/02/216262202.db2.gz LCDBRHMDYZDYAU-HNNXBMFYSA-N 1 1 329.448 3.383 50 0 EGAAMO COC[C@@H](c1ccccn1)[N@@H+](C)Cc1ccccc1Cn1cccn1 ZINC000215070373 241106196 /nfs/dbraw/zinc/10/61/96/241106196.db2.gz PQESONYWUYFEOX-FQEVSTJZSA-N 1 1 336.439 3.146 50 0 EGAAMO CS(=O)(=O)c1ccc(C[N@@H+]2CC[C@H](c3ccc(F)cc3)C2)cc1 ZINC000215999917 241156369 /nfs/dbraw/zinc/15/63/69/241156369.db2.gz UHKYOKPLQHPJPI-INIZCTEOSA-N 1 1 333.428 3.219 50 0 EGAAMO CS(=O)(=O)c1ccc(C[N@H+]2CC[C@H](c3ccc(F)cc3)C2)cc1 ZINC000215999917 241156375 /nfs/dbraw/zinc/15/63/75/241156375.db2.gz UHKYOKPLQHPJPI-INIZCTEOSA-N 1 1 333.428 3.219 50 0 EGAAMO Cc1nnc([C@H]2CCC[N@@H+](Cc3ccc4c(c3)CC(C)(C)O4)C2)[nH]1 ZINC000216352303 241186191 /nfs/dbraw/zinc/18/61/91/241186191.db2.gz CDWWWCQCSSNDIK-HNNXBMFYSA-N 1 1 326.444 3.206 50 0 EGAAMO Cc1n[nH]c([C@H]2CCC[N@H+](Cc3ccc4c(c3)CC(C)(C)O4)C2)n1 ZINC000216352303 241186196 /nfs/dbraw/zinc/18/61/96/241186196.db2.gz CDWWWCQCSSNDIK-HNNXBMFYSA-N 1 1 326.444 3.206 50 0 EGAAMO Cc1n[nH]c([C@H]2CCC[N@@H+](Cc3ccc4c(c3)CC(C)(C)O4)C2)n1 ZINC000216352303 241186198 /nfs/dbraw/zinc/18/61/98/241186198.db2.gz CDWWWCQCSSNDIK-HNNXBMFYSA-N 1 1 326.444 3.206 50 0 EGAAMO Cc1nc([C@H]2CCC[N@H+](Cc3ccc4c(c3)CC(C)(C)O4)C2)n[nH]1 ZINC000216352303 241186205 /nfs/dbraw/zinc/18/62/05/241186205.db2.gz CDWWWCQCSSNDIK-HNNXBMFYSA-N 1 1 326.444 3.206 50 0 EGAAMO Cc1nc([C@H]2CCC[N@@H+](Cc3ccc4c(c3)CC(C)(C)O4)C2)n[nH]1 ZINC000216352303 241186208 /nfs/dbraw/zinc/18/62/08/241186208.db2.gz CDWWWCQCSSNDIK-HNNXBMFYSA-N 1 1 326.444 3.206 50 0 EGAAMO C[C@H](CNC(=O)c1cc(-c2ccccc2)on1)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000227156137 242123838 /nfs/dbraw/zinc/12/38/38/242123838.db2.gz GDTCFWJCTOGKOL-OWCLPIDISA-N 1 1 341.455 3.438 50 0 EGAAMO CSc1ccc(CN2CC[N@@H+](CC(C)(C)C)[C@@H](CCO)C2)cc1 ZINC000020908978 212186875 /nfs/dbraw/zinc/18/68/75/212186875.db2.gz YOFZKULZUAEGTN-KRWDZBQOSA-N 1 1 336.545 3.323 50 0 EGAAMO C[C@H](C(=O)N1CCCCCC1)[N@@H+](C)Cc1ccnc2ccccc12 ZINC000243892378 243026933 /nfs/dbraw/zinc/02/69/33/243026933.db2.gz AHEYMWMTVLMHHE-MRXNPFEDSA-N 1 1 325.456 3.458 50 0 EGAAMO Cc1cc(C)n([C@H]2CC[N@@H+](Cc3cncn3Cc3ccccc3)C2)n1 ZINC000244601922 243043138 /nfs/dbraw/zinc/04/31/38/243043138.db2.gz DULJOGBRDRYIBG-IBGZPJMESA-N 1 1 335.455 3.192 50 0 EGAAMO COc1ccc(C)cc1NC(=O)CC[N@@H+](C)Cc1c(C)noc1C ZINC000244678606 243053176 /nfs/dbraw/zinc/05/31/76/243053176.db2.gz IGQNXBGTZIQQFS-UHFFFAOYSA-N 1 1 331.416 3.069 50 0 EGAAMO OCCOc1cccc(CN[C@@H]2CCC[N@@H+](CC3CCCCC3)C2)c1 ZINC000020536351 212145040 /nfs/dbraw/zinc/14/50/40/212145040.db2.gz UBCFZZHRNYBIBB-HXUWFJFHSA-N 1 1 346.515 3.192 50 0 EGAAMO OCCOc1cccc(C[NH2+][C@@H]2CCCN(CC3CCCCC3)C2)c1 ZINC000020536351 212145041 /nfs/dbraw/zinc/14/50/41/212145041.db2.gz UBCFZZHRNYBIBB-HXUWFJFHSA-N 1 1 346.515 3.192 50 0 EGAAMO CCOc1cc2c(cc1OCC)[C@H](c1c(C)nn(C)c1Cl)[NH2+]CC2 ZINC000020494446 212140759 /nfs/dbraw/zinc/14/07/59/212140759.db2.gz SEOTUUODKPUIQM-QGZVFWFLSA-N 1 1 349.862 3.414 50 0 EGAAMO c1ccc(C[NH+]2CCN(Cc3nnc(-c4ccccc4)o3)CC2)cc1 ZINC000019881242 212078236 /nfs/dbraw/zinc/07/82/36/212078236.db2.gz PQAOSMFYTVFYMA-UHFFFAOYSA-N 1 1 334.423 3.054 50 0 EGAAMO OCC[C@H]1C[N@H+](C2CCCCCC2)CCN1Cc1ccc(F)cc1 ZINC000019792565 212067292 /nfs/dbraw/zinc/06/72/92/212067292.db2.gz NJJSTJKOOBCJGP-FQEVSTJZSA-N 1 1 334.479 3.417 50 0 EGAAMO CCN(Cc1c[nH]cn1)C[C@@H]1CCC[N@@H+](CCc2cccc(F)c2)C1 ZINC000012316459 211344261 /nfs/dbraw/zinc/34/42/61/211344261.db2.gz IZTCFNDPYQUEPG-SFHVURJKSA-N 1 1 344.478 3.325 50 0 EGAAMO CCN(Cc1cnc[nH]1)C[C@@H]1CCC[N@H+](CCc2cccc(F)c2)C1 ZINC000012316459 211344267 /nfs/dbraw/zinc/34/42/67/211344267.db2.gz IZTCFNDPYQUEPG-SFHVURJKSA-N 1 1 344.478 3.325 50 0 EGAAMO CCN(Cc1cnc[nH]1)C[C@@H]1CCC[N@@H+](CCc2cccc(F)c2)C1 ZINC000012316459 211344274 /nfs/dbraw/zinc/34/42/74/211344274.db2.gz IZTCFNDPYQUEPG-SFHVURJKSA-N 1 1 344.478 3.325 50 0 EGAAMO CC[N@H+]1C[C@@H](c2ccccc2)CC2(CC[NH+](CCC(=O)[O-])CC2)C1 ZINC000091619956 218032220 /nfs/dbraw/zinc/03/22/20/218032220.db2.gz PZSHBVQEPOKTCT-SFHVURJKSA-N 1 1 330.472 3.053 50 0 EGAAMO CC[N@H+]1C[C@H](c2ccccc2)CC2(CC[NH+](CCC(=O)[O-])CC2)C1 ZINC000091619955 218032409 /nfs/dbraw/zinc/03/24/09/218032409.db2.gz PZSHBVQEPOKTCT-GOSISDBHSA-N 1 1 330.472 3.053 50 0 EGAAMO O=C(C[C@H]1CCc2ccccc21)N1CCC[N@H+](Cc2ccccn2)CC1 ZINC000091551374 218021743 /nfs/dbraw/zinc/02/17/43/218021743.db2.gz XINZDDLXYUJIQI-LJQANCHMSA-N 1 1 349.478 3.236 50 0 EGAAMO O=C(C[C@H]1CCc2ccccc21)N1CCC[N@@H+](Cc2ccccn2)CC1 ZINC000091551374 218021745 /nfs/dbraw/zinc/02/17/45/218021745.db2.gz XINZDDLXYUJIQI-LJQANCHMSA-N 1 1 349.478 3.236 50 0 EGAAMO Cc1ccc[nH+]c1N1CCN(C(=O)C[C@H]2CCc3ccccc32)CC1 ZINC000091562703 218022659 /nfs/dbraw/zinc/02/26/59/218022659.db2.gz RLXXQPUMDNJXED-GOSISDBHSA-N 1 1 335.451 3.159 50 0 EGAAMO O=C(COc1ccccc1Cl)N1C[C@H]2CC[C@H](C[N@@H+]2CC2CC2)C1 ZINC000091586436 218025988 /nfs/dbraw/zinc/02/59/88/218025988.db2.gz TWIRDZBAMTUWBU-HZPDHXFCSA-N 1 1 348.874 3.052 50 0 EGAAMO Cc1nc2c(ncnc2NC[C@@H]2CC[N@@H+](Cc3ccccc3C)C2)o1 ZINC000091645041 218038917 /nfs/dbraw/zinc/03/89/17/218038917.db2.gz OBKVFRLKJYAZJS-HNNXBMFYSA-N 1 1 337.427 3.169 50 0 EGAAMO COc1cccc(C[N@H+]2CC[C@@H](Cc3cccc(CO)c3)C2)c1OC ZINC000091849293 218077230 /nfs/dbraw/zinc/07/72/30/218077230.db2.gz AHZWNRUFWYFCEV-KRWDZBQOSA-N 1 1 341.451 3.261 50 0 EGAAMO COCC[C@]1(CO)CCC[N@H+](C2CCN(c3ccc(C)cc3)CC2)C1 ZINC000091907666 218087247 /nfs/dbraw/zinc/08/72/47/218087247.db2.gz JQHRDOXXCCZQFL-OAQYLSRUSA-N 1 1 346.515 3.075 50 0 EGAAMO CCO[C@H]1C[N@H+](C)C[C@@H]1NC(=O)c1ccc(-c2ccccc2Cl)o1 ZINC000092077129 218116167 /nfs/dbraw/zinc/11/61/67/218116167.db2.gz OVDJPAOJDFATAH-YOEHRIQHSA-N 1 1 348.830 3.049 50 0 EGAAMO CCO[C@H]1C[N@@H+](C)C[C@@H]1NC(=O)c1ccc(-c2ccccc2Cl)o1 ZINC000092077129 218116169 /nfs/dbraw/zinc/11/61/69/218116169.db2.gz OVDJPAOJDFATAH-YOEHRIQHSA-N 1 1 348.830 3.049 50 0 EGAAMO Cc1cccc([C@@H](C(=O)NCc2c(F)ccc(F)c2F)[NH+](C)C)c1 ZINC000095367529 218299897 /nfs/dbraw/zinc/29/98/97/218299897.db2.gz JHPHKQNSZMZCRX-KRWDZBQOSA-N 1 1 336.357 3.331 50 0 EGAAMO Cc1cnc(C)c(N2CCC[C@H](c3[nH+]ccn3Cc3ccccn3)C2)n1 ZINC000095363593 218297009 /nfs/dbraw/zinc/29/70/09/218297009.db2.gz HXYQKZXKBWARPB-KRWDZBQOSA-N 1 1 348.454 3.117 50 0 EGAAMO O=C(CSCC1CC1)N1C[C@H]2CC[C@H](C[N@@H+]2Cc2ccccc2)C1 ZINC000095379228 218310865 /nfs/dbraw/zinc/31/08/65/218310865.db2.gz FUEGRDZLTNXVGL-RTBURBONSA-N 1 1 344.524 3.253 50 0 EGAAMO CC(C)c1[nH+]ccn1[C@@H](C)C(=O)N1CCC(c2ccncc2)CC1 ZINC000095380057 218312548 /nfs/dbraw/zinc/31/25/48/218312548.db2.gz LALGCLFWRBKTIC-HNNXBMFYSA-N 1 1 326.444 3.369 50 0 EGAAMO CC(C)c1[nH+]ccn1[C@H](C)C(=O)NCCCn1ncc2ccccc21 ZINC000095385363 218317358 /nfs/dbraw/zinc/31/73/58/218317358.db2.gz IGFLYZILTGEPGJ-OAHLLOKOSA-N 1 1 339.443 3.124 50 0 EGAAMO Fc1cccnc1N1CCC(c2[nH+]ccn2Cc2cscn2)CC1 ZINC000095499021 218414943 /nfs/dbraw/zinc/41/49/43/218414943.db2.gz QWVVCVFSWOTBQW-UHFFFAOYSA-N 1 1 343.431 3.306 50 0 EGAAMO Cc1ccc([C@@H]2C[N@H+](Cc3cccc4nonc43)C[C@H]2N(C)C)cc1 ZINC000095521638 218426654 /nfs/dbraw/zinc/42/66/54/218426654.db2.gz GZIQNJWBNMGFJV-PKOBYXMFSA-N 1 1 336.439 3.061 50 0 EGAAMO Cc1ccc([C@@H]2CN(Cc3cccc4nonc43)C[C@H]2[NH+](C)C)cc1 ZINC000095521638 218426655 /nfs/dbraw/zinc/42/66/55/218426655.db2.gz GZIQNJWBNMGFJV-PKOBYXMFSA-N 1 1 336.439 3.061 50 0 EGAAMO Cc1ccc2[nH]c3c(c2c1)CN(C(=O)C[N@@H+]1CCC[C@@H](C)C1)CC3 ZINC000004837139 210293446 /nfs/dbraw/zinc/29/34/46/210293446.db2.gz MYGBEOGYYAJYJL-OAHLLOKOSA-N 1 1 325.456 3.093 50 0 EGAAMO CS(=O)(=O)C[C@H]1CCC[N@H+](Cc2ccc(-c3ccco3)cc2)C1 ZINC000097474887 219028833 /nfs/dbraw/zinc/02/88/33/219028833.db2.gz PQEDTTBRBTUSMD-INIZCTEOSA-N 1 1 333.453 3.203 50 0 EGAAMO CS(=O)(=O)C[C@H]1CCC[N@@H+](Cc2ccc(-c3ccco3)cc2)C1 ZINC000097474887 219028835 /nfs/dbraw/zinc/02/88/35/219028835.db2.gz PQEDTTBRBTUSMD-INIZCTEOSA-N 1 1 333.453 3.203 50 0 EGAAMO O=C1C[C@H]([NH+]2CCCCC2)C(=O)N1c1ccc(Cl)c(Cl)c1 ZINC000000069635 209399611 /nfs/dbraw/zinc/39/96/11/209399611.db2.gz MSABGHPZDQHMIX-ZDUSSCGKSA-N 1 1 327.211 3.111 50 0 EGAAMO O=C([C@H]1CCC[N@@H+](Cc2ccc3c(c2)OCO3)C1)N1CCCCCC1 ZINC000004746244 210269422 /nfs/dbraw/zinc/26/94/22/210269422.db2.gz SKOTZEXQVSGLMG-KRWDZBQOSA-N 1 1 344.455 3.030 50 0 EGAAMO C[C@@H]1CCCC[N@H+]1C1CN(C(=O)c2ccc3cccc(F)c3n2)C1 ZINC000097797424 274284593 /nfs/dbraw/zinc/28/45/93/274284593.db2.gz XOBVXVPCHDOILQ-CYBMUJFWSA-N 1 1 327.403 3.073 50 0 EGAAMO Cc1sc2ncnc(N3CCC[C@@H](c4[nH+]ccn4C)C3)c2c1C ZINC000095501026 294088944 /nfs/dbraw/zinc/08/89/44/294088944.db2.gz CSCQJOYATXQFLR-CYBMUJFWSA-N 1 1 327.457 3.426 50 0 EGAAMO Cc1cc([C@H]2CCC[N@@H+]2Cc2cc(C(N)=O)oc2C(C)(C)C)on1 ZINC000244724688 455275843 /nfs/dbraw/zinc/27/58/43/455275843.db2.gz MYRQONJOXZDNQA-CYBMUJFWSA-N 1 1 331.416 3.310 50 0 EGAAMO Cc1cc([C@H]2CCC[N@H+]2Cc2cc(C(N)=O)oc2C(C)(C)C)on1 ZINC000244724688 455275848 /nfs/dbraw/zinc/27/58/48/455275848.db2.gz MYRQONJOXZDNQA-CYBMUJFWSA-N 1 1 331.416 3.310 50 0 EGAAMO C[NH+](C)[C@@H]1CCC[N@@H+](Cc2ccc3c4c2cccc4C(=O)OC3)CC1 ZINC000244866568 455277165 /nfs/dbraw/zinc/27/71/65/455277165.db2.gz VYLBWTKCNRQVOZ-QGZVFWFLSA-N 1 1 338.451 3.426 50 0 EGAAMO C[NH+](C)[C@@H]1CCCN(Cc2ccc3c4c2cccc4C(=O)OC3)CC1 ZINC000244866568 455277170 /nfs/dbraw/zinc/27/71/70/455277170.db2.gz VYLBWTKCNRQVOZ-QGZVFWFLSA-N 1 1 338.451 3.426 50 0 EGAAMO CCOC(=O)[C@H]1CCC[N@H+](Cc2ccc(Br)cc2)C1 ZINC000000236196 452542686 /nfs/dbraw/zinc/54/26/86/452542686.db2.gz OKYRKAVJZHVZLB-ZDUSSCGKSA-N 1 1 326.234 3.224 50 0 EGAAMO CCOC(=O)[C@H]1CCC[N@@H+](Cc2ccc(Br)cc2)C1 ZINC000000236196 452542700 /nfs/dbraw/zinc/54/27/00/452542700.db2.gz OKYRKAVJZHVZLB-ZDUSSCGKSA-N 1 1 326.234 3.224 50 0 EGAAMO CC[C@H]1CCCC[N@H+]1CC(=O)N1CCc2[nH]c3ccccc3c2C1 ZINC000000526707 452614233 /nfs/dbraw/zinc/61/42/33/452614233.db2.gz NMHLNOPFYTVZHA-HNNXBMFYSA-N 1 1 325.456 3.317 50 0 biogenic EGAAMO c1csc(CNc2nc3ccccc3n2CC[NH+]2CCOCC2)c1 ZINC000000809684 452637995 /nfs/dbraw/zinc/63/79/95/452637995.db2.gz RJOYCPFKDMREBK-UHFFFAOYSA-N 1 1 342.468 3.042 50 0 EGAAMO CCOC(=O)CCCC(=O)c1cccc(C[NH+]2CCSCC2)c1 ZINC000002515320 452702518 /nfs/dbraw/zinc/70/25/18/452702518.db2.gz TYUDEWJMHNKMEZ-UHFFFAOYSA-N 1 1 335.469 3.152 50 0 EGAAMO OCC[N@@H+](Cc1c[nH]nc1-c1ccc(F)cc1)Cc1ccccc1 ZINC000006530666 452950803 /nfs/dbraw/zinc/95/08/03/452950803.db2.gz FDQWFAGDHPQTSJ-UHFFFAOYSA-N 1 1 325.387 3.210 50 0 EGAAMO COc1cc(C[NH2+]CCCN(C)C)ccc1OCc1ccc(F)cc1 ZINC000008373857 453196926 /nfs/dbraw/zinc/19/69/26/453196926.db2.gz XXUMTMZOOIAIOX-UHFFFAOYSA-N 1 1 346.446 3.455 50 0 EGAAMO COc1ccccc1CC[N@H+]1CCC[C@H](CN(C)C(=O)C(C)(C)C)C1 ZINC000012588856 453379826 /nfs/dbraw/zinc/37/98/26/453379826.db2.gz VYLHXKHTHYMAFH-QGZVFWFLSA-N 1 1 346.515 3.454 50 0 EGAAMO O=C(N[C@H]1CCC[N@@H+](CCc2ccccc2)C1)c1c(F)cccc1F ZINC000012713516 453393434 /nfs/dbraw/zinc/39/34/34/453393434.db2.gz AZGHXJJYTIWWOE-INIZCTEOSA-N 1 1 344.405 3.402 50 0 EGAAMO COc1ccccc1C[N@@H+]1CCC(=O)N(Cc2ccccc2C)CC1 ZINC000014958838 453549611 /nfs/dbraw/zinc/54/96/11/453549611.db2.gz WINRTICVWBSVOJ-UHFFFAOYSA-N 1 1 338.451 3.238 50 0 EGAAMO CCn1ccnc1C[N@@H+]1CCC[C@@](CO)(Cc2cccc(Cl)c2)C1 ZINC000015077296 453555095 /nfs/dbraw/zinc/55/50/95/453555095.db2.gz DUUZDQNCYPILGT-LJQANCHMSA-N 1 1 347.890 3.374 50 0 EGAAMO CCn1ccnc1C[N@H+]1CCC[C@@](CO)(Cc2cccc(Cl)c2)C1 ZINC000015077296 453555098 /nfs/dbraw/zinc/55/50/98/453555098.db2.gz DUUZDQNCYPILGT-LJQANCHMSA-N 1 1 347.890 3.374 50 0 EGAAMO COc1ccc2[nH+]cc(C(=O)c3ccccc3)c(N3CCOCC3)c2c1 ZINC000020380646 453664807 /nfs/dbraw/zinc/66/48/07/453664807.db2.gz NSBOOLJWEWCIHP-UHFFFAOYSA-N 1 1 348.402 3.311 50 0 EGAAMO CCOC(=O)[C@@H]1CCCN(c2cc(C)c3cc4c(cc3[nH+]2)OCO4)C1 ZINC000023634299 453714104 /nfs/dbraw/zinc/71/41/04/453714104.db2.gz FIASVAZWARGJMA-CYBMUJFWSA-N 1 1 342.395 3.051 50 0 EGAAMO C[NH+]1CCN(C2=Nc3cc(O)ccc3Oc3ccc(Cl)cc32)CC1 ZINC000031984004 453859735 /nfs/dbraw/zinc/85/97/35/453859735.db2.gz VNJRIWXLPIYFGI-UHFFFAOYSA-N 1 1 343.814 3.477 50 0 in-vitro EGAAMO COCc1ccc(C(=O)N2CCCC[C@@H]2CCn2cc[nH+]c2C)s1 ZINC000082097325 453923471 /nfs/dbraw/zinc/92/34/71/453923471.db2.gz IGYPLQWRVBWPDE-OAHLLOKOSA-N 1 1 347.484 3.484 50 0 EGAAMO Cc1ccc(-c2c[nH]nc2[C@H]2CCCN(c3cc(N)[nH+]cn3)C2)cc1 ZINC000067542222 453940836 /nfs/dbraw/zinc/94/08/36/453940836.db2.gz KBIUTQZMMJOLFQ-HNNXBMFYSA-N 1 1 334.427 3.141 50 0 EGAAMO Cc1cccnc1C[NH+]1CCN(c2ccc(-c3ccccc3)nn2)CC1 ZINC000077394559 454101846 /nfs/dbraw/zinc/10/18/46/454101846.db2.gz CCIOXMWDEPURFC-UHFFFAOYSA-N 1 1 345.450 3.169 50 0 EGAAMO CN(C[C@H]1Cc2ccccc2C[N@H+]1C)C(=O)c1ccc2ccccc2n1 ZINC000077536968 454119137 /nfs/dbraw/zinc/11/91/37/454119137.db2.gz JRAROLNRXVFMKA-LJQANCHMSA-N 1 1 345.446 3.364 50 0 EGAAMO c1cnn(CC[C@H]2CCCC[N@H+]2Cc2cnc(-c3ccco3)nc2)c1 ZINC000077565951 454124171 /nfs/dbraw/zinc/12/41/71/454124171.db2.gz LOYLGIATVMEAQM-QGZVFWFLSA-N 1 1 337.427 3.378 50 0 EGAAMO CC(C)[N@H+]1CCC[C@H](CCNC(=O)c2cnc3ccccc3c2)C1 ZINC000071279003 454203478 /nfs/dbraw/zinc/20/34/78/454203478.db2.gz FGBJVCQCEMPSIV-MRXNPFEDSA-N 1 1 325.456 3.475 50 0 EGAAMO COc1ccc(F)c(-c2nc(C[N@H+](C)CC3(CO)CC3)c(C)o2)c1 ZINC000071589404 454209155 /nfs/dbraw/zinc/20/91/55/454209155.db2.gz DFUVQPOOFNMRMJ-UHFFFAOYSA-N 1 1 334.391 3.002 50 0 EGAAMO COc1ccc(F)c(-c2nc(C[N@@H+](C)CC3(CO)CC3)c(C)o2)c1 ZINC000071589404 454209158 /nfs/dbraw/zinc/20/91/58/454209158.db2.gz DFUVQPOOFNMRMJ-UHFFFAOYSA-N 1 1 334.391 3.002 50 0 EGAAMO COc1ccc(-c2nc(CN3CC[N@@H+](C)[C@H](C)C3)c(C)o2)c(C)c1C ZINC000071745924 454212047 /nfs/dbraw/zinc/21/20/47/454212047.db2.gz ONJDAIHQDADMIU-CYBMUJFWSA-N 1 1 343.471 3.411 50 0 EGAAMO COc1ccc(F)c(-c2nc(CN3CC[N@H+]4CCC[C@@H]4C3)c(C)o2)c1 ZINC000071748920 454213130 /nfs/dbraw/zinc/21/31/30/454213130.db2.gz IEDGQIFOJDXIGD-CQSZACIVSA-N 1 1 345.418 3.078 50 0 EGAAMO CC(=O)N1CCC([N@H+]2CCC[C@H](CCc3ccc(F)cc3)C2)CC1 ZINC000071752039 454214536 /nfs/dbraw/zinc/21/45/36/454214536.db2.gz BKQGCFURQWOKGV-GOSISDBHSA-N 1 1 332.463 3.481 50 0 EGAAMO Cc1nc(CCNC(=O)[C@H](C)n2cc[nH+]c2C(C)C)sc1Cl ZINC000095496697 454220875 /nfs/dbraw/zinc/22/08/75/454220875.db2.gz ZUNGOONMCWASTA-NSHDSACASA-N 1 1 340.880 3.345 50 0 EGAAMO C[N@H+]1CCC[C@H]1CCNC(=O)Nc1ccc(Oc2cccnc2)cc1 ZINC000095523953 454227577 /nfs/dbraw/zinc/22/75/77/454227577.db2.gz WWJWVOCXRWDRJC-INIZCTEOSA-N 1 1 340.427 3.480 50 0 EGAAMO Fc1ccc(N2CCC[C@H](c3[nH+]ccn3Cc3ccncc3)C2)nc1 ZINC000095525371 454228061 /nfs/dbraw/zinc/22/80/61/454228061.db2.gz FAQVRJPWTUOFLS-INIZCTEOSA-N 1 1 337.402 3.245 50 0 EGAAMO O=C1N(CC2CC2)CCC[C@]12CC[N@H+](Cc1cc(F)ccc1F)C2 ZINC000091289254 454423167 /nfs/dbraw/zinc/42/31/67/454423167.db2.gz UJLCETPVZKYFHE-LJQANCHMSA-N 1 1 334.410 3.189 50 0 EGAAMO c1csc(-c2noc(C[N@H+]3CC[C@@H](CNc4ccccn4)C3)n2)c1 ZINC000097200577 454424105 /nfs/dbraw/zinc/42/41/05/454424105.db2.gz AFSHASZUNSYCAC-ZDUSSCGKSA-N 1 1 341.440 3.127 50 0 EGAAMO c1csc(-c2noc(C[N@@H+]3CC[C@@H](CNc4ccccn4)C3)n2)c1 ZINC000097200577 454424113 /nfs/dbraw/zinc/42/41/13/454424113.db2.gz AFSHASZUNSYCAC-ZDUSSCGKSA-N 1 1 341.440 3.127 50 0 EGAAMO Cc1ccccc1CC(=O)N1C[C@H]2CC[C@@H]1C[N@@H+](Cc1cccnc1)C2 ZINC000091325780 454427988 /nfs/dbraw/zinc/42/79/88/454427988.db2.gz UTLLERVBBLNOHW-PZJWPPBQSA-N 1 1 349.478 3.056 50 0 EGAAMO COc1ccc([C@@H]2C[N@H+](C3CCCCCC3)C[C@H]2NC(C)=O)cc1 ZINC000091364678 454429997 /nfs/dbraw/zinc/42/99/97/454429997.db2.gz XVUZCYABBRUYFO-VQTJNVASSA-N 1 1 330.472 3.322 50 0 EGAAMO C[N@H+]1CCCCC[C@H]1C(=O)NCCCSCc1ccccc1F ZINC000097492556 454438562 /nfs/dbraw/zinc/43/85/62/454438562.db2.gz SDEGBYDJGKWSFZ-KRWDZBQOSA-N 1 1 338.492 3.440 50 0 EGAAMO CC(C)N(Cc1nccn1C)C(=O)[C@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000065502469 454579884 /nfs/dbraw/zinc/57/98/84/454579884.db2.gz CMFJCMGEDUZSHV-KRWDZBQOSA-N 1 1 346.519 3.202 50 0 EGAAMO Cc1nnc([C@H]2CCC[N@@H+]2CCC(=O)Nc2cccc3ccccc32)[nH]1 ZINC000252494494 455813158 /nfs/dbraw/zinc/81/31/58/455813158.db2.gz NXKKDTYCHMTOHP-GOSISDBHSA-N 1 1 349.438 3.432 50 0 EGAAMO Cc1nnc([C@H]2CCC[N@H+]2CCC(=O)Nc2cccc3ccccc32)[nH]1 ZINC000252494494 455813162 /nfs/dbraw/zinc/81/31/62/455813162.db2.gz NXKKDTYCHMTOHP-GOSISDBHSA-N 1 1 349.438 3.432 50 0 EGAAMO CSCc1noc(C[NH+]2CCC3(CCc4ccccc43)CC2)n1 ZINC000252501529 455815148 /nfs/dbraw/zinc/81/51/48/455815148.db2.gz UHAYAQPPFURFPF-UHFFFAOYSA-N 1 1 329.469 3.413 50 0 EGAAMO O=C(c1c[nH]c2ccccc12)N1CC[C@@H]([N@H+]2CCc3ccccc3C2)C1 ZINC000225686983 456104111 /nfs/dbraw/zinc/10/41/11/456104111.db2.gz LACZYCKWRKMDPU-GOSISDBHSA-N 1 1 345.446 3.441 50 0 EGAAMO Cc1[nH+]c(N)ccc1-c1cccc(C(=O)N(C)C[C@H]2CCCCO2)c1 ZINC000426435069 457830150 /nfs/dbraw/zinc/83/01/50/457830150.db2.gz WYULJMCZVOVWFE-QGZVFWFLSA-N 1 1 339.439 3.111 50 0 EGAAMO CC[C@H](NC(=O)c1cccc(-c2ccc(C)[nH+]c2N)c1)c1ccnn1C ZINC000426615564 457862874 /nfs/dbraw/zinc/86/28/74/457862874.db2.gz PVRKERPZVPXOCY-KRWDZBQOSA-N 1 1 349.438 3.254 50 0 EGAAMO Cc1csc(=O)n1CC[N@H+]1C[C@H](c2ccccc2)C2(CCC2)C1 ZINC000411986076 458033410 /nfs/dbraw/zinc/03/34/10/458033410.db2.gz ODCWKAQRPHFRFD-QGZVFWFLSA-N 1 1 328.481 3.488 50 0 EGAAMO C[C@H](NC(=O)N1CCC[N@H+](Cc2ccccn2)CC1)c1ccsc1 ZINC000534676122 459345492 /nfs/dbraw/zinc/34/54/92/459345492.db2.gz GOZJTRMRGRLOMM-HNNXBMFYSA-N 1 1 344.484 3.122 50 0 EGAAMO C[C@H](NC(=O)N1CCC[N@@H+](Cc2ccccn2)CC1)c1ccsc1 ZINC000534676122 459345498 /nfs/dbraw/zinc/34/54/98/459345498.db2.gz GOZJTRMRGRLOMM-HNNXBMFYSA-N 1 1 344.484 3.122 50 0 EGAAMO COc1ccc2cc(C(=O)NC[C@@H]3CCC[N@H+]4CCCC[C@@H]34)[nH]c2c1 ZINC000526052627 459538625 /nfs/dbraw/zinc/53/86/25/459538625.db2.gz XJUXCVHKXDXMQX-KXBFYZLASA-N 1 1 341.455 3.171 50 0 EGAAMO CN1CC[C@H]2CC[C@@H](C1)[N@H+]2C1CCN(c2ccc(F)c(F)c2)CC1 ZINC000584892361 459819561 /nfs/dbraw/zinc/81/95/61/459819561.db2.gz KDDKYEZRZSCLMF-PBHICJAKSA-N 1 1 335.442 3.102 50 0 EGAAMO OCCCCCN1CC[NH+](CCSc2ccc(Cl)cc2)CC1 ZINC000585136875 459828495 /nfs/dbraw/zinc/82/84/95/459828495.db2.gz WXPVPLYEGFFGOW-UHFFFAOYSA-N 1 1 342.936 3.212 50 0 EGAAMO CCc1[nH]nc(Cl)c1C[NH2+]C1CCN([C@@H](C)c2ccncc2)CC1 ZINC000585137130 459828843 /nfs/dbraw/zinc/82/88/43/459828843.db2.gz JQWFYQOCDXQHKX-ZDUSSCGKSA-N 1 1 347.894 3.336 50 0 EGAAMO COc1ccc(F)c(F)c1C[N@@H+]1CC[C@@](O)(c2ccccc2C)C1 ZINC000216390885 536598923 /nfs/dbraw/zinc/59/89/23/536598923.db2.gz LKDHNBIMTLLYTI-IBGZPJMESA-N 1 1 333.378 3.375 50 0 EGAAMO COc1ccc(F)c(F)c1C[N@H+]1CC[C@@](O)(c2ccccc2C)C1 ZINC000216390885 536598932 /nfs/dbraw/zinc/59/89/32/536598932.db2.gz LKDHNBIMTLLYTI-IBGZPJMESA-N 1 1 333.378 3.375 50 0 EGAAMO CN(C(=O)/C=C/c1ccncc1)[C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000012207965 1291130940 /nfs/dbraw/zinc/13/09/40/1291130940.db2.gz JBPUAPUDOPCDBN-LCCNJJIFSA-N 1 1 349.478 3.260 50 0 EGAAMO Cc1[nH+]ccn1CCC(=O)NCc1cccnc1Oc1ccccc1 ZINC000012297777 1291132108 /nfs/dbraw/zinc/13/21/08/1291132108.db2.gz GHFACTAYDVEASU-UHFFFAOYSA-N 1 1 336.395 3.085 50 0 EGAAMO c1cc(CN2CC[C@@]3(C2)CCC[N@H+](CC2CC2)C3)cc2nsnc12 ZINC000015076706 1291145434 /nfs/dbraw/zinc/14/54/34/1291145434.db2.gz CPKOEQHWGYJMAJ-IBGZPJMESA-N 1 1 342.512 3.389 50 0 EGAAMO CCCc1ccc(OC[C@@H](O)CNC2CC(C)(C)[NH2+]C(C)(C)C2)cc1 ZINC000022341421 1291212674 /nfs/dbraw/zinc/21/26/74/1291212674.db2.gz FFBIERFAMYOJQM-SFHVURJKSA-N 1 1 348.531 3.278 50 0 EGAAMO Cc1c2cc(F)ccc2[nH]c1C[N@H+]1CCC[C@H](N2CCCC2=O)C1 ZINC000071575330 1292268367 /nfs/dbraw/zinc/26/83/67/1292268367.db2.gz XUJSPRTYLRBNRA-HNNXBMFYSA-N 1 1 329.419 3.202 50 0 EGAAMO Cc1[nH+]ccn1CC[C@@H]1CCCCN1C(=O)c1ccc(N(C)C)cc1 ZINC000082138990 1292677924 /nfs/dbraw/zinc/67/79/24/1292677924.db2.gz HGUNMVVCAZVKJF-IBGZPJMESA-N 1 1 340.471 3.343 50 0 EGAAMO CCN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)c1ccc(OC)cc1 ZINC000888088464 1304031109 /nfs/dbraw/zinc/03/11/09/1304031109.db2.gz BCFPGPRMLMZSPB-PKOBYXMFSA-N 1 1 330.472 3.422 50 0 EGAAMO Cc1[nH+]ccn1CCN(C)C(=O)c1ccc(N2CCCC2)c(Cl)c1 ZINC000823637462 1320194095 /nfs/dbraw/zinc/19/40/95/1320194095.db2.gz LAWRLRPYMLEBFW-UHFFFAOYSA-N 1 1 346.862 3.217 50 0 EGAAMO COc1cccc2c1OCC(C[NH+]1CCC(c3ccn[nH]3)CC1)=C2 ZINC000824801232 1320286867 /nfs/dbraw/zinc/28/68/67/1320286867.db2.gz CYJLLXVNTWQTJY-UHFFFAOYSA-N 1 1 325.412 3.074 50 0 EGAAMO Cc1ccc(-c2cccc(CN3CCOC4(CC[NH2+]CC4)C3)c2)o1 ZINC000825197966 1320317399 /nfs/dbraw/zinc/31/73/99/1320317399.db2.gz XOFYKSDUJFUDCQ-UHFFFAOYSA-N 1 1 326.440 3.209 50 0 EGAAMO Cc1noc(C)c1C[N@@H+]1C[C@H]2[C@@H](C1)CCC[C@]2(O)c1ccccc1 ZINC001704344055 1416449752 /nfs/dbraw/zinc/44/97/52/1416449752.db2.gz JJTINPSJMISUAJ-UXPWSPDFSA-N 1 1 326.440 3.411 50 0 EGAAMO Cn1nc(C[N@@H+]2CCC[C@H](c3ncc[nH]3)C2)c2c1cccc2Cl ZINC001704354157 1416453831 /nfs/dbraw/zinc/45/38/31/1416453831.db2.gz USVUMODMKFUSAU-LBPRGKRZSA-N 1 1 329.835 3.329 50 0 EGAAMO Cn1nc(C[N@H+]2CCC[C@H](c3ncc[nH]3)C2)c2c1cccc2Cl ZINC001704354157 1416453832 /nfs/dbraw/zinc/45/38/32/1416453832.db2.gz USVUMODMKFUSAU-LBPRGKRZSA-N 1 1 329.835 3.329 50 0 EGAAMO OC[C@@]12C[N@@H+](Cc3ccc(-c4ccccc4)s3)C[C@@H]1COCC2 ZINC001772705261 1441417026 /nfs/dbraw/zinc/41/70/26/1441417026.db2.gz QPIXNAVZLDMMEN-VQIMIIECSA-N 1 1 329.465 3.246 50 0 EGAAMO CC(C)N1C[C@@H](C[N@@H+](C)Cc2cc(-c3ccccc3)no2)CCC1=O ZINC001772810355 1441417571 /nfs/dbraw/zinc/41/75/71/1441417571.db2.gz KTZOJANERJUYSW-MRXNPFEDSA-N 1 1 341.455 3.420 50 0 EGAAMO CC(C)[C@@H](C)[N@@H+](Cc1ccco1)Cc1ccccc1OCC(N)=O ZINC000055307617 214304170 /nfs/dbraw/zinc/30/41/70/214304170.db2.gz YVNIGOGMDAMAKJ-OAHLLOKOSA-N 1 1 330.428 3.190 50 0 EGAAMO CN(C[C@]1(C)CC[N@@H+](C)C1)C(=O)c1cccc(-c2ccc(O)cc2)c1 ZINC000055360480 214311349 /nfs/dbraw/zinc/31/13/49/214311349.db2.gz GYOWTJYKKCHKAD-OAQYLSRUSA-N 1 1 338.451 3.473 50 0 EGAAMO C[N@H+]1CC[C@@H](C(=O)NCCCSCc2ccccc2Cl)C1 ZINC000097823139 219058445 /nfs/dbraw/zinc/05/84/45/219058445.db2.gz YQQPFDKKJQESSU-CYBMUJFWSA-N 1 1 326.893 3.031 50 0 EGAAMO Cc1noc(C)c1C[N@H+]1CCCN(C(=O)[C@H](C)c2ccccc2)CC1 ZINC000098211895 219087621 /nfs/dbraw/zinc/08/76/21/219087621.db2.gz XNBVKNGOFFTBKC-OAHLLOKOSA-N 1 1 341.455 3.129 50 0 EGAAMO Cc1noc(C)c1C[N@@H+]1CCCN(C(=O)[C@H](C)c2ccccc2)CC1 ZINC000098211895 219087622 /nfs/dbraw/zinc/08/76/22/219087622.db2.gz XNBVKNGOFFTBKC-OAHLLOKOSA-N 1 1 341.455 3.129 50 0 EGAAMO Cc1ccc(NC(=O)NC[C@@H]2CCC[N@@H+](Cc3ccncc3)C2)cc1 ZINC000067688649 215184238 /nfs/dbraw/zinc/18/42/38/215184238.db2.gz FJQUWBCNHGVJMA-SFHVURJKSA-N 1 1 338.455 3.424 50 0 EGAAMO O=C(NC[C@@H]1CC[N@@H+](Cc2ccco2)C1)c1nccc2ccccc21 ZINC000067691641 215186000 /nfs/dbraw/zinc/18/60/00/215186000.db2.gz WSNZHZRLZIOCNE-HNNXBMFYSA-N 1 1 335.407 3.080 50 0 EGAAMO COc1ccc(-c2nc(C[N@@H+]3CCCOCC3)c(C)o2)c(OC)c1C ZINC000067756836 215204131 /nfs/dbraw/zinc/20/41/31/215204131.db2.gz ZRSVITBBBMZPRD-UHFFFAOYSA-N 1 1 346.427 3.198 50 0 EGAAMO COc1ccc(-c2nc(C[N@H+]3CCCOCC3)c(C)o2)c(OC)c1C ZINC000067756836 215204134 /nfs/dbraw/zinc/20/41/34/215204134.db2.gz ZRSVITBBBMZPRD-UHFFFAOYSA-N 1 1 346.427 3.198 50 0 EGAAMO CC(C)(C)C(=O)NCC[C@@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000067804565 215216954 /nfs/dbraw/zinc/21/69/54/215216954.db2.gz AYJFYMMIJCZRQP-INIZCTEOSA-N 1 1 328.500 3.418 50 0 EGAAMO C[NH+](C)Cc1cncc(Oc2cc(F)c(CN3CCCC3)c(F)c2)n1 ZINC000067884004 215240915 /nfs/dbraw/zinc/24/09/15/215240915.db2.gz UFJJLZRWYUUMIJ-UHFFFAOYSA-N 1 1 348.397 3.205 50 0 EGAAMO O=C(NC[C@@H]1CC[N@@H+](Cc2ccccn2)C1)Nc1ccccc1Cl ZINC000067934959 215252371 /nfs/dbraw/zinc/25/23/71/215252371.db2.gz FOPWUPCANXCCBK-AWEZNQCLSA-N 1 1 344.846 3.379 50 0 EGAAMO O=C(NCC[C@H]1C[N@H+](C2CCCCCC2)CCO1)c1ccsc1 ZINC000067934320 215252708 /nfs/dbraw/zinc/25/27/08/215252708.db2.gz BXUUAXLCLFEREO-KRWDZBQOSA-N 1 1 336.501 3.292 50 0 EGAAMO Cc1ccc(CN2CC[N@@H+](CCCC3CCCC3)C[C@H]2CCO)o1 ZINC000104351703 219378231 /nfs/dbraw/zinc/37/82/31/219378231.db2.gz AHEOHSPJOYHPTF-LJQANCHMSA-N 1 1 334.504 3.427 50 0 EGAAMO Cc1ccccc1C[N@H+]1CCN(Cc2ccccc2F)C[C@H]1CCO ZINC000104375575 219381026 /nfs/dbraw/zinc/38/10/26/219381026.db2.gz BSXYCTGUTDOSBY-HXUWFJFHSA-N 1 1 342.458 3.203 50 0 EGAAMO Cn1c(C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc2ccccc21 ZINC000036359467 213089590 /nfs/dbraw/zinc/08/95/90/213089590.db2.gz YVCFFXXAFNCQNC-UHFFFAOYSA-N 1 1 333.435 3.136 50 0 EGAAMO CCC[N@H+]1C[C@H]2CC[C@@H]1CN(C(=O)CCc1ccc(N(C)C)cc1)C2 ZINC000095363202 283356223 /nfs/dbraw/zinc/35/62/23/283356223.db2.gz GAKOAAOKNNNBPW-UYAOXDASSA-N 1 1 343.515 3.018 50 0 EGAAMO O=C(CC1CC1)N1C[C@@H](c2cc(F)cc(F)c2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000072151254 216039550 /nfs/dbraw/zinc/03/95/50/216039550.db2.gz VHSCLEOXQKMCFO-DFQSSKMNSA-N 1 1 346.421 3.154 50 0 EGAAMO C[N@@H+](Cc1ccc(-c2cc[nH]n2)o1)Cc1ccc(-n2cccn2)cc1 ZINC000072155983 216045848 /nfs/dbraw/zinc/04/58/48/216045848.db2.gz DRWJMEGEFXMWSH-UHFFFAOYSA-N 1 1 333.395 3.487 50 0 EGAAMO c1ccc(CNc2ncc(C[NH+]3CC(c4cccnc4)C3)cn2)cc1 ZINC000072157689 216047496 /nfs/dbraw/zinc/04/74/96/216047496.db2.gz RQWBPDOGEDCCCX-UHFFFAOYSA-N 1 1 331.423 3.083 50 0 EGAAMO CCCc1cc(N[C@H]2CC(=O)N(Cc3ccc(F)cc3)C2)nc(C)[nH+]1 ZINC000072173919 216064538 /nfs/dbraw/zinc/06/45/38/216064538.db2.gz NKRBHBAFONDTKY-KRWDZBQOSA-N 1 1 342.418 3.090 50 0 EGAAMO Cc1nccn1C[C@H]1CCC[N@@H+](Cc2c[nH]c3cc(=O)ccc-3c2)C1 ZINC000072174546 216065071 /nfs/dbraw/zinc/06/50/71/216065071.db2.gz DITADBCFKMQAFA-INIZCTEOSA-N 1 1 336.439 3.358 50 0 EGAAMO CN(Cc1csc(-c2cccs2)n1)C(=O)C[N@H+]1C[C@@H]2CC[C@H]1C2 ZINC000072410114 216202489 /nfs/dbraw/zinc/20/24/89/216202489.db2.gz QQPSCFBQPNTHBL-OCCSQVGLSA-N 1 1 347.509 3.314 50 0 EGAAMO COC(=O)c1n[nH]cc1C[NH+]1CCC(Sc2cccc(C)c2)CC1 ZINC000072426210 216215785 /nfs/dbraw/zinc/21/57/85/216215785.db2.gz DPCPFNNIYSREKU-UHFFFAOYSA-N 1 1 345.468 3.261 50 0 EGAAMO CC(=O)N(C)[C@H]1CC[N@H+](Cc2nc(-c3ccccc3Cl)oc2C)C1 ZINC000072480391 216260586 /nfs/dbraw/zinc/26/05/86/216260586.db2.gz AHZXVZHOXWHVFP-AWEZNQCLSA-N 1 1 347.846 3.356 50 0 EGAAMO CC(=O)N(C)[C@H]1CC[N@@H+](Cc2nc(-c3ccccc3Cl)oc2C)C1 ZINC000072480391 216260588 /nfs/dbraw/zinc/26/05/88/216260588.db2.gz AHZXVZHOXWHVFP-AWEZNQCLSA-N 1 1 347.846 3.356 50 0 EGAAMO COc1ccccc1[C@H](CNC(=O)c1cccc(Cl)c1)[NH+](C)C ZINC000023712170 212391368 /nfs/dbraw/zinc/39/13/68/212391368.db2.gz XVSAFDPSBLGXFA-INIZCTEOSA-N 1 1 332.831 3.381 50 0 biogenic EGAAMO c1csc(C[NH+]2CCC(n3cc(-c4ccccc4)nn3)CC2)n1 ZINC000023478991 212379855 /nfs/dbraw/zinc/37/98/55/212379855.db2.gz PTGQJDJKGNRGBK-UHFFFAOYSA-N 1 1 325.441 3.239 50 0 EGAAMO CO[C@@H]1CC[N@H+](Cc2cc(Cl)ccc2OCCCn2ccnc2)C1 ZINC000216328958 241184019 /nfs/dbraw/zinc/18/40/19/241184019.db2.gz ZENVUPGPASKPHD-QGZVFWFLSA-N 1 1 349.862 3.226 50 0 EGAAMO CO[C@@H]1CC[N@@H+](Cc2cc(Cl)ccc2OCCCn2ccnc2)C1 ZINC000216328958 241184026 /nfs/dbraw/zinc/18/40/26/241184026.db2.gz ZENVUPGPASKPHD-QGZVFWFLSA-N 1 1 349.862 3.226 50 0 EGAAMO C[N@H+]1C[C@@H]2CC[C@H](C1)N(Cc1ccc(OCc3ccccn3)cc1)C2 ZINC000215383599 241123883 /nfs/dbraw/zinc/12/38/83/241123883.db2.gz YCXJWIVBIMSCSZ-AZUAARDMSA-N 1 1 337.467 3.187 50 0 EGAAMO Cn1c2ccccc2cc(C[N@@H+](C)CC[C@@H](O)c2ccccc2)c1=O ZINC000215529575 241132413 /nfs/dbraw/zinc/13/24/13/241132413.db2.gz DSNPIGRMAIGUIN-HXUWFJFHSA-N 1 1 336.435 3.094 50 0 EGAAMO C[NH+]1CCN(Cc2ccccc2C(=O)c2ccc(F)cc2Cl)CC1 ZINC000022028233 212271448 /nfs/dbraw/zinc/27/14/48/212271448.db2.gz GTPGKUSNFHAIDS-UHFFFAOYSA-N 1 1 346.833 3.458 50 0 EGAAMO Cc1[nH+]ccn1CC[C@@H](NC(=O)Cc1cccnc1)c1ccccc1 ZINC000220507032 241444917 /nfs/dbraw/zinc/44/49/17/241444917.db2.gz YBNZEJHIOCLGQH-LJQANCHMSA-N 1 1 334.423 3.077 50 0 EGAAMO COc1ccc(CC[N@@H+](C)[C@H]2CCCN(CC3CC3)C2)cc1OC ZINC000020999343 212197485 /nfs/dbraw/zinc/19/74/85/212197485.db2.gz XBZMBCUPBFQPOP-SFHVURJKSA-N 1 1 332.488 3.053 50 0 EGAAMO COc1ccc(CCN(C)[C@H]2CCC[N@@H+](CC3CC3)C2)cc1OC ZINC000020999343 212197471 /nfs/dbraw/zinc/19/74/71/212197471.db2.gz XBZMBCUPBFQPOP-SFHVURJKSA-N 1 1 332.488 3.053 50 0 EGAAMO COc1ccc(CC[N@H+](C)[C@H]2CCCN(CC3CC3)C2)cc1OC ZINC000020999343 212197479 /nfs/dbraw/zinc/19/74/79/212197479.db2.gz XBZMBCUPBFQPOP-SFHVURJKSA-N 1 1 332.488 3.053 50 0 EGAAMO Cc1ccc(CN2CC[N@@H+](Cc3ccccc3C)C[C@@H]2CCO)cc1 ZINC000020907122 212186510 /nfs/dbraw/zinc/18/65/10/212186510.db2.gz IKPVCHAWBCVGGP-QFIPXVFZSA-N 1 1 338.495 3.372 50 0 EGAAMO Cc1ccc(C[N@@H+]2CCN(Cc3ccccc3C)C[C@@H]2CCO)cc1 ZINC000020907122 212186513 /nfs/dbraw/zinc/18/65/13/212186513.db2.gz IKPVCHAWBCVGGP-QFIPXVFZSA-N 1 1 338.495 3.372 50 0 EGAAMO Cc1ccc(C[N@H+]2CCN(Cc3ccccc3C)C[C@@H]2CCO)cc1 ZINC000020907122 212186517 /nfs/dbraw/zinc/18/65/17/212186517.db2.gz IKPVCHAWBCVGGP-QFIPXVFZSA-N 1 1 338.495 3.372 50 0 EGAAMO O=C(c1cccc2ccccc21)N1CC[NH+](CCc2ccncc2)CC1 ZINC000020896944 212183603 /nfs/dbraw/zinc/18/36/03/212183603.db2.gz VIXAHQSPUJRJHY-UHFFFAOYSA-N 1 1 345.446 3.235 50 0 EGAAMO CSc1ccccc1C(=O)[C@H]1CCC[N@H+](Cc2cnn(C)c2)C1 ZINC000020854489 212176745 /nfs/dbraw/zinc/17/67/45/212176745.db2.gz FQHPZGOXFFMOFF-HNNXBMFYSA-N 1 1 329.469 3.237 50 0 EGAAMO CSc1ccccc1C(=O)[C@H]1CCC[N@@H+](Cc2cnn(C)c2)C1 ZINC000020854489 212176748 /nfs/dbraw/zinc/17/67/48/212176748.db2.gz FQHPZGOXFFMOFF-HNNXBMFYSA-N 1 1 329.469 3.237 50 0 EGAAMO CC(C)[N@@H+]1CC[C@@H](CN2CCC(O)(c3ccc(Cl)cc3)CC2)C1 ZINC000244758130 243075565 /nfs/dbraw/zinc/07/55/65/243075565.db2.gz OSWHYCPUVFPDGS-INIZCTEOSA-N 1 1 336.907 3.354 50 0 EGAAMO CC(C)[N@H+]1CC[C@@H](CN2CCC(O)(c3ccc(Cl)cc3)CC2)C1 ZINC000244758130 243075570 /nfs/dbraw/zinc/07/55/70/243075570.db2.gz OSWHYCPUVFPDGS-INIZCTEOSA-N 1 1 336.907 3.354 50 0 EGAAMO COc1ccccc1N1CC[N@H+](Cc2[nH]cc(C)c(=O)c2C)[C@@H](C)C1 ZINC000253537105 244017818 /nfs/dbraw/zinc/01/78/18/244017818.db2.gz XRPADCCMUCROBK-HNNXBMFYSA-N 1 1 341.455 3.123 50 0 EGAAMO COc1ccccc1N1CC[N@@H+](Cc2[nH]cc(C)c(=O)c2C)[C@@H](C)C1 ZINC000253537105 244017824 /nfs/dbraw/zinc/01/78/24/244017824.db2.gz XRPADCCMUCROBK-HNNXBMFYSA-N 1 1 341.455 3.123 50 0 EGAAMO Cc1ccccc1C[N@H+]1CCN(Cc2ccc(F)cc2)C[C@@H]1CCO ZINC000019792834 212067824 /nfs/dbraw/zinc/06/78/24/212067824.db2.gz QTVBNWPDAFTGKI-NRFANRHFSA-N 1 1 342.458 3.203 50 0 EGAAMO CCOC(=O)C[C@@H]1CCCC[N@H+]1Cc1nc2ccccc2nc1C ZINC000077539420 216932710 /nfs/dbraw/zinc/93/27/10/216932710.db2.gz KLLXQDWKHOHLLN-HNNXBMFYSA-N 1 1 327.428 3.246 50 0 EGAAMO O=C(c1cccnc1)N1CC[NH+](Cc2ccc3ccccc3c2)CC1 ZINC000019399620 212025985 /nfs/dbraw/zinc/02/59/85/212025985.db2.gz LTPDEDVNKSDZMF-UHFFFAOYSA-N 1 1 331.419 3.193 50 0 EGAAMO O=C(Cn1ccc2ccccc21)NC[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000079190628 217200543 /nfs/dbraw/zinc/20/05/43/217200543.db2.gz NBWCKIJCPWQZRW-PKOBYXMFSA-N 1 1 325.456 3.022 50 0 biogenic EGAAMO C/C=C/c1ccc(OCCOCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c(OC)c1 ZINC000012343383 211352156 /nfs/dbraw/zinc/35/21/56/211352156.db2.gz QZPNPMONMNIHHH-WZDWLKHJSA-N 1 1 349.471 3.233 50 0 EGAAMO C/C=C/c1ccc(OCCOCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c(OC)c1 ZINC000012343383 211352161 /nfs/dbraw/zinc/35/21/61/211352161.db2.gz QZPNPMONMNIHHH-WZDWLKHJSA-N 1 1 349.471 3.233 50 0 EGAAMO O=C1N(CCc2ccccc2)CCC[C@@]12CC[N@@H+](Cc1cccnc1)C2 ZINC000012304535 211338808 /nfs/dbraw/zinc/33/88/08/211338808.db2.gz MWQGEKIVFADLEM-QFIPXVFZSA-N 1 1 349.478 3.139 50 0 EGAAMO Cc1ccc(C[N@H+]2C[C@H]3CC[C@@H](C2)C(=O)N3Cc2cscn2)s1 ZINC000091410750 218002168 /nfs/dbraw/zinc/00/21/68/218002168.db2.gz URWPJSKQFOMUPP-DZGCQCFKSA-N 1 1 347.509 3.136 50 0 EGAAMO Cc1n[nH]c(C)c1[C@@H]([NH3+])C(=O)N(C/C=C/c1ccccc1)CC(C)C ZINC000091563453 218022781 /nfs/dbraw/zinc/02/27/81/218022781.db2.gz XUCUQDPFYHUDEO-UFUQCMIWSA-N 1 1 340.471 3.224 50 0 EGAAMO CCC[N@H+]1C[C@H]2CC[C@@H]1CN(Cc1ccc(OC)c(COC)c1)C2 ZINC000095391295 218322840 /nfs/dbraw/zinc/32/28/40/218322840.db2.gz DEDDXAAPVNAKQW-PKOBYXMFSA-N 1 1 332.488 3.148 50 0 EGAAMO CCCN1C[C@H]2CC[C@@H]1C[N@H+](Cc1ccc(OC)c(COC)c1)C2 ZINC000095391295 218322842 /nfs/dbraw/zinc/32/28/42/218322842.db2.gz DEDDXAAPVNAKQW-PKOBYXMFSA-N 1 1 332.488 3.148 50 0 EGAAMO CCCN1C[C@H]2CC[C@@H]1C[N@@H+](Cc1ccc(OC)c(COC)c1)C2 ZINC000095391295 218322844 /nfs/dbraw/zinc/32/28/44/218322844.db2.gz DEDDXAAPVNAKQW-PKOBYXMFSA-N 1 1 332.488 3.148 50 0 EGAAMO CS(=O)(=O)C[C@@H]1CCC[N@H+](Cc2ccc(-c3ccco3)cc2)C1 ZINC000097474886 219028149 /nfs/dbraw/zinc/02/81/49/219028149.db2.gz PQEDTTBRBTUSMD-MRXNPFEDSA-N 1 1 333.453 3.203 50 0 EGAAMO CS(=O)(=O)C[C@@H]1CCC[N@@H+](Cc2ccc(-c3ccco3)cc2)C1 ZINC000097474886 219028152 /nfs/dbraw/zinc/02/81/52/219028152.db2.gz PQEDTTBRBTUSMD-MRXNPFEDSA-N 1 1 333.453 3.203 50 0 EGAAMO COc1ccccc1-c1ncc(C[N@@H+](C)C2CCSCC2)cn1 ZINC000097515095 219032797 /nfs/dbraw/zinc/03/27/97/219032797.db2.gz PLNAUVPUYKTDPE-UHFFFAOYSA-N 1 1 329.469 3.480 50 0 EGAAMO CC(C)[N@H+]1CC[C@@H](C(=O)NCc2ccc(C(F)(F)F)cc2F)C1 ZINC000097546568 219034770 /nfs/dbraw/zinc/03/47/70/219034770.db2.gz RGVWXDWDQRQTLP-GFCCVEGCSA-N 1 1 332.341 3.191 50 0 EGAAMO O=C([C@@H]1CCC[N@@H+](Cc2ccccc2)C1)N1CCc2ccccc2C1 ZINC000004746158 210269197 /nfs/dbraw/zinc/26/91/97/210269197.db2.gz CCDISHCCSBCXAE-OAQYLSRUSA-N 1 1 334.463 3.484 50 0 EGAAMO O=C(c1cccc(-c2ccncc2F)c1)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000299775285 258086155 /nfs/dbraw/zinc/08/61/55/258086155.db2.gz JLCOCXYKXKUTIF-KRWDZBQOSA-N 1 1 339.414 3.198 50 0 EGAAMO O=C(c1cccc(-c2ccncc2F)c1)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000299775285 258086157 /nfs/dbraw/zinc/08/61/57/258086157.db2.gz JLCOCXYKXKUTIF-KRWDZBQOSA-N 1 1 339.414 3.198 50 0 EGAAMO C[N@@H+]1[C@@H]2CC[C@H]1CCN(C(=O)c1cccc(-c3nccs3)c1)C2 ZINC000299797118 258100838 /nfs/dbraw/zinc/10/08/38/258100838.db2.gz OWPGFIXKJABSQZ-JKSUJKDBSA-N 1 1 327.453 3.119 50 0 EGAAMO Cc1cc(O)ccc1C(=O)NCC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000299801407 258104331 /nfs/dbraw/zinc/10/43/31/258104331.db2.gz YHXOIMDQZDEROR-GOSISDBHSA-N 1 1 338.451 3.343 50 0 EGAAMO C[N@H+]1CCC[C@@H]1CCNC(=O)Nc1ccc(OCc2ccco2)cc1 ZINC000299759446 258076632 /nfs/dbraw/zinc/07/66/32/258076632.db2.gz RWSPFRPVTGFJSH-MRXNPFEDSA-N 1 1 343.427 3.464 50 0 EGAAMO CCc1[nH+]ccn1CCC(=O)N[C@@H](CC)c1nc2cc(C)ccc2[nH]1 ZINC000299764882 258079954 /nfs/dbraw/zinc/07/99/54/258079954.db2.gz VGXQOSWYRRMMLG-AWEZNQCLSA-N 1 1 339.443 3.288 50 0 EGAAMO CCc1[nH+]ccn1CCC(=O)N[C@@H](CC)c1nc2ccc(C)cc2[nH]1 ZINC000299764882 258079955 /nfs/dbraw/zinc/07/99/55/258079955.db2.gz VGXQOSWYRRMMLG-AWEZNQCLSA-N 1 1 339.443 3.288 50 0 EGAAMO COc1ccc2c(c1)OC[C@]1(CO)C[N@H+](Cc3ccc(C)s3)C[C@H]21 ZINC000095355088 274130972 /nfs/dbraw/zinc/13/09/72/274130972.db2.gz LMOMSHDAXPYZOG-IEBWSBKVSA-N 1 1 345.464 3.036 50 0 EGAAMO COc1ccc2c(c1OC)C[C@@H]1c3c(cc4c(c3-2)OCO4)CC[N@H+]1C ZINC000001576416 274140692 /nfs/dbraw/zinc/14/06/92/274140692.db2.gz UVDQDNQWGQFIAO-CQSZACIVSA-N 1 1 339.391 3.185 50 0 biogenic,in-vitro EGAAMO COc1ccc2c(c1OC)C[C@@H]1c3c(cc4c(c3-2)OCO4)CC[N@@H+]1C ZINC000001576416 274140693 /nfs/dbraw/zinc/14/06/93/274140693.db2.gz UVDQDNQWGQFIAO-CQSZACIVSA-N 1 1 339.391 3.185 50 0 biogenic,in-vitro EGAAMO COc1c(C[NH2+][C@@H]2CCOc3c(F)cccc32)c(C(C)C)nn1C ZINC000065474746 277788254 /nfs/dbraw/zinc/78/82/54/277788254.db2.gz QVSBXCKRTBPJKX-OAHLLOKOSA-N 1 1 333.407 3.305 50 0 EGAAMO C[N@H+](CCC(=O)Nc1ccc(F)c(F)c1)CC[C@H]1CCCCO1 ZINC000240517103 455263472 /nfs/dbraw/zinc/26/34/72/455263472.db2.gz NVCCDHAHXWZPCX-CQSZACIVSA-N 1 1 326.387 3.184 50 0 EGAAMO CC(C)(O)CCc1ccc(C[N@H+]2CCC[C@H](c3ncc[nH]3)C2)cc1 ZINC000244734651 455277272 /nfs/dbraw/zinc/27/72/72/455277272.db2.gz NJMXBIXNKUHCNP-SFHVURJKSA-N 1 1 327.472 3.493 50 0 EGAAMO CN1CC[N@@H+](Cc2ccccc2Cn2cccn2)C[C@H]1c1ccccc1 ZINC000244866684 455276314 /nfs/dbraw/zinc/27/63/14/455276314.db2.gz WAOSAJVSVHZXDN-QFIPXVFZSA-N 1 1 346.478 3.420 50 0 EGAAMO C[N@H+]1CCN(Cc2ccccc2Cn2cccn2)C[C@H]1c1ccccc1 ZINC000244866684 455276326 /nfs/dbraw/zinc/27/63/26/455276326.db2.gz WAOSAJVSVHZXDN-QFIPXVFZSA-N 1 1 346.478 3.420 50 0 EGAAMO CCOc1ccccc1C[N@H+]1CCC[C@H](C(=O)N2CCCCC2)C1 ZINC000000212350 452537791 /nfs/dbraw/zinc/53/77/91/452537791.db2.gz WZNXWRUGVYPQAF-SFHVURJKSA-N 1 1 330.472 3.310 50 0 EGAAMO COc1cccc(C(=O)N2CC[NH+](CCCc3ccccc3)CC2)c1 ZINC000002760562 452720192 /nfs/dbraw/zinc/72/01/92/452720192.db2.gz WDWLYBJZHCTLCQ-UHFFFAOYSA-N 1 1 338.451 3.086 50 0 biogenic EGAAMO C[N@@H+](CCO)Cc1c(NC(=O)c2ccccc2)sc2c1CCCC2 ZINC000003098241 452741512 /nfs/dbraw/zinc/74/15/12/452741512.db2.gz XMDWWEPHRZWNMA-UHFFFAOYSA-N 1 1 344.480 3.303 50 0 biogenic,in-vitro EGAAMO C[C@@H]1CCC[C@H](C)[N@@H+]1C[C@@H](O)COc1ccc(Br)cc1 ZINC000005611376 452888727 /nfs/dbraw/zinc/88/87/27/452888727.db2.gz IPLAQDHNOPLIEJ-VNHYZAJKSA-N 1 1 342.277 3.452 50 0 EGAAMO Cc1[nH+]ccn1CCc1nc2cc(NC(=O)c3ccco3)ccc2n1C ZINC000006665395 452966739 /nfs/dbraw/zinc/96/67/39/452966739.db2.gz FBHWLBMAODYQFL-UHFFFAOYSA-N 1 1 349.394 3.166 50 0 EGAAMO CCc1cc(C(=O)OC)c(NC(=O)C[N@H+]2C[C@H](C)C[C@H](C)C2)s1 ZINC000006699879 452972273 /nfs/dbraw/zinc/97/22/73/452972273.db2.gz MZTGXIZLLWVUKX-TXEJJXNPSA-N 1 1 338.473 3.014 50 0 EGAAMO CCc1cc(C(=O)OC)c(NC(=O)C[N@@H+]2C[C@H](C)C[C@H](C)C2)s1 ZINC000006699879 452972278 /nfs/dbraw/zinc/97/22/78/452972278.db2.gz MZTGXIZLLWVUKX-TXEJJXNPSA-N 1 1 338.473 3.014 50 0 EGAAMO COc1cc(NC(=O)C[NH+]2CCCCCC2)c(OC)cc1Cl ZINC000006731343 452977278 /nfs/dbraw/zinc/97/72/78/452977278.db2.gz BAEBHJRWLKLWSY-UHFFFAOYSA-N 1 1 326.824 3.172 50 0 EGAAMO CC[N@H+]1CCc2c(sc3c2C(=O)N[C@@H](c2ccc(F)cc2)N3)C1 ZINC000006891468 453005037 /nfs/dbraw/zinc/00/50/37/453005037.db2.gz RBIUTPQVDXLXTM-OAHLLOKOSA-N 1 1 331.416 3.119 50 0 EGAAMO C[C@@H](CS(=O)(=O)c1ccc(Br)cc1)[NH+]1CCCCC1 ZINC000008715438 453227102 /nfs/dbraw/zinc/22/71/02/453227102.db2.gz OXWBSVLVLOWPFX-LBPRGKRZSA-N 1 1 346.290 3.097 50 0 EGAAMO CN(C(=O)c1cccnc1)[C@H]1CCC[N@@H+](CCCc2ccccc2)C1 ZINC000014973656 453549766 /nfs/dbraw/zinc/54/97/66/453549766.db2.gz PTVWWVDBZGGIID-FQEVSTJZSA-N 1 1 337.467 3.251 50 0 EGAAMO Cc1c(Cl)ccc(OCCOCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1C ZINC000016247449 453598958 /nfs/dbraw/zinc/59/89/58/453598958.db2.gz VQOTZXGWFNHLHE-OKILXGFUSA-N 1 1 341.879 3.461 50 0 EGAAMO Cc1c(Cl)ccc(OCCOCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1C ZINC000016247449 453598961 /nfs/dbraw/zinc/59/89/61/453598961.db2.gz VQOTZXGWFNHLHE-OKILXGFUSA-N 1 1 341.879 3.461 50 0 EGAAMO C[NH+]1CCN(C(=O)CN2c3ccccc3Sc3ccccc32)CC1 ZINC000019913889 453660699 /nfs/dbraw/zinc/66/06/99/453660699.db2.gz NULSOOJUMPKREP-UHFFFAOYSA-N 1 1 339.464 3.063 50 0 EGAAMO Fc1ccccc1N1CCN([C@H]2CCC[N@@H+](Cc3ccoc3)C2)CC1 ZINC000020912185 453670088 /nfs/dbraw/zinc/67/00/88/453670088.db2.gz MJKYFBBWCAHWMD-SFHVURJKSA-N 1 1 343.446 3.205 50 0 EGAAMO CC1CCC2(CC1)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]1[C@H]1CCC[N@H+]12 ZINC000033821686 453917577 /nfs/dbraw/zinc/91/75/77/453917577.db2.gz CFLFEHOWXPFODO-JHMXRZGDSA-N 1 1 338.451 3.219 50 0 EGAAMO Cn1ccnc1[C@H]1CCC[N@@H+](Cc2cc3c(cc2Cl)OCO3)C1 ZINC000082096568 453923026 /nfs/dbraw/zinc/92/30/26/453923026.db2.gz IQDMBABFZJZQTE-LBPRGKRZSA-N 1 1 333.819 3.182 50 0 EGAAMO Cc1ccc(C)c(C(=O)N2CCCC[C@@H]2CC[NH+]2CCOCC2)c1 ZINC000082097351 453923944 /nfs/dbraw/zinc/92/39/44/453923944.db2.gz DGMLAOMOUPCIDY-GOSISDBHSA-N 1 1 330.472 3.020 50 0 EGAAMO Cc1nccnc1N1CCC[C@H](c2[nH+]ccn2Cc2ccccc2)C1 ZINC000082137513 453926208 /nfs/dbraw/zinc/92/62/08/453926208.db2.gz POKKZBFEZNZJBM-SFHVURJKSA-N 1 1 333.439 3.414 50 0 EGAAMO Cc1ncsc1CC[N@@H+](C)Cc1nccn1Cc1ccccc1 ZINC000075914905 453938557 /nfs/dbraw/zinc/93/85/57/453938557.db2.gz BARDSWZQBWTNOP-UHFFFAOYSA-N 1 1 326.469 3.371 50 0 EGAAMO Cc1ncsc1CC[N@H+](C)Cc1nccn1Cc1ccccc1 ZINC000075914905 453938559 /nfs/dbraw/zinc/93/85/59/453938559.db2.gz BARDSWZQBWTNOP-UHFFFAOYSA-N 1 1 326.469 3.371 50 0 EGAAMO C[N@H+]1CCC[C@H](CNC(=O)CSC23CC4CC(CC(C4)C2)C3)C1 ZINC000067712664 453959969 /nfs/dbraw/zinc/95/99/69/453959969.db2.gz YTGCHVHINIXYPV-DGTBMVLOSA-N 1 1 336.545 3.146 50 0 EGAAMO CCc1ccc2nc(C)cc(C(=O)N3CCC[N@H+]4CCC[C@H]4C3)c2c1 ZINC000077426722 454105784 /nfs/dbraw/zinc/10/57/84/454105784.db2.gz QCBWZEAXPFFJQS-KRWDZBQOSA-N 1 1 337.467 3.416 50 0 EGAAMO CSc1ccccc1C[N@H+]1CCCC[C@H]1CCN1CCOCC1 ZINC000077505030 454115109 /nfs/dbraw/zinc/11/51/09/454115109.db2.gz IUFMLVZWTUSZJP-SFHVURJKSA-N 1 1 334.529 3.485 50 0 EGAAMO Cc1ccc([C@H](C(=O)N(C)Cc2cnc3ccccc3n2)[NH+](C)C)cc1 ZINC000095385431 454200418 /nfs/dbraw/zinc/20/04/18/454200418.db2.gz CLLRMNBDGVIWFP-HXUWFJFHSA-N 1 1 348.450 3.200 50 0 EGAAMO CCC1=NO[C@H](C[N@@H+]2CCc3[nH]nc(-c4ccc(F)c(F)c4)c3C2)C1 ZINC000071315738 454205615 /nfs/dbraw/zinc/20/56/15/454205615.db2.gz UMQAXOPKGQXFAG-ZDUSSCGKSA-N 1 1 346.381 3.268 50 0 EGAAMO CCC1=NO[C@H](C[N@H+]2CCc3[nH]nc(-c4ccc(F)c(F)c4)c3C2)C1 ZINC000071315738 454205620 /nfs/dbraw/zinc/20/56/20/454205620.db2.gz UMQAXOPKGQXFAG-ZDUSSCGKSA-N 1 1 346.381 3.268 50 0 EGAAMO Cc1cc(O)cc(C)c1C[N@H+]1CCC(=O)N(CC2CC2)[C@H](C(C)C)C1 ZINC000071738901 454211430 /nfs/dbraw/zinc/21/14/30/454211430.db2.gz FCLHLFRPVCIYDG-FQEVSTJZSA-N 1 1 344.499 3.478 50 0 EGAAMO Cc1[nH+]ccn1CC(=O)N1CCC[C@H](CCc2ccc(F)cc2)C1 ZINC000071771607 454216721 /nfs/dbraw/zinc/21/67/21/454216721.db2.gz MPULSVMRJXUTLT-QGZVFWFLSA-N 1 1 329.419 3.202 50 0 EGAAMO Cn1cnnc1C[N@H+]1CCCC(c2ccccc2)(c2ccccc2)C1 ZINC000095506200 454223861 /nfs/dbraw/zinc/22/38/61/454223861.db2.gz VTMKULRIZBETBZ-UHFFFAOYSA-N 1 1 332.451 3.397 50 0 EGAAMO CCc1cc(N2CCC([N@H+]3CCc4sccc4C3)CC2)nc(C)n1 ZINC000095506576 454224105 /nfs/dbraw/zinc/22/41/05/454224105.db2.gz JSIUKVKPHPGGIE-UHFFFAOYSA-N 1 1 342.512 3.436 50 0 EGAAMO C[N@H+]1C[C@@H](c2ccccc2)CC12CCN(C(=O)c1cccnc1)CC2 ZINC000095509038 454225134 /nfs/dbraw/zinc/22/51/34/454225134.db2.gz NIQCCLZNAAWIBI-IBGZPJMESA-N 1 1 335.451 3.176 50 0 EGAAMO Fc1ccc(C[N@H+]2CCC[C@@]3(CCN(c4ncccn4)C3)C2)cc1 ZINC000072127355 454272353 /nfs/dbraw/zinc/27/23/53/454272353.db2.gz SGXLRYLGLGTKGR-LJQANCHMSA-N 1 1 326.419 3.108 50 0 EGAAMO CCn1cc(CN2CCC[N@@H+](CCCc3ccccc3)CC2)c(C)n1 ZINC000072160934 454272883 /nfs/dbraw/zinc/27/28/83/454272883.db2.gz HQMIMMDYEFWRMC-UHFFFAOYSA-N 1 1 340.515 3.352 50 0 EGAAMO Fc1cnccc1N1CCC[C@@H](c2[nH+]ccn2Cc2cccnc2)C1 ZINC000091575460 454446423 /nfs/dbraw/zinc/44/64/23/454446423.db2.gz NOFHIAROIFPHMA-MRXNPFEDSA-N 1 1 337.402 3.245 50 0 EGAAMO COc1ccc2oc(CNC(=O)[C@@H](C)n3cc[nH+]c3C(C)C)nc2c1 ZINC000065387451 454557862 /nfs/dbraw/zinc/55/78/62/454557862.db2.gz OAOCSTBIMVRDMC-GFCCVEGCSA-N 1 1 342.399 3.034 50 0 EGAAMO COc1cccc(C(=O)NCC2=CC[N@H+]([C@@H]3C=CCCC3)CC2)c1 ZINC000065410721 454562757 /nfs/dbraw/zinc/56/27/57/454562757.db2.gz MIILZKKBXJDJQP-GOSISDBHSA-N 1 1 326.440 3.166 50 0 EGAAMO CC(C)c1noc(C2CCN(C(=O)CC[C@H]3CCCC[N@H+]3C)CC2)n1 ZINC000065462978 454571792 /nfs/dbraw/zinc/57/17/92/454571792.db2.gz IFDNYTFSTHLICU-MRXNPFEDSA-N 1 1 348.491 3.164 50 0 EGAAMO COCC[N@H+]1CC[C@@H](c2nc(CC(C)C)nn2-c2ccccc2F)C1 ZINC000065504593 454579690 /nfs/dbraw/zinc/57/96/90/454579690.db2.gz IUGARHLRMKMSFG-OAHLLOKOSA-N 1 1 346.450 3.041 50 0 EGAAMO CN(CCC1CCOCC1)C(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000137021924 454765804 /nfs/dbraw/zinc/76/58/04/454765804.db2.gz GHNZYCHEBFYZPR-FQEVSTJZSA-N 1 1 344.499 3.316 50 0 EGAAMO Cc1ccc(C[N@H+](CC(=O)Nc2ccn(C)n2)C2CCCC2)s1 ZINC000252506905 455816363 /nfs/dbraw/zinc/81/63/63/455816363.db2.gz WCVMWZOQVOKOAZ-UHFFFAOYSA-N 1 1 332.473 3.173 50 0 EGAAMO COc1ccc(F)c(F)c1CN1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000225346522 456077720 /nfs/dbraw/zinc/07/77/20/456077720.db2.gz UTJIBQZUXADXGR-KRWDZBQOSA-N 1 1 332.394 3.462 50 0 EGAAMO COc1ccc(F)c(F)c1CN1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000225346522 456077727 /nfs/dbraw/zinc/07/77/27/456077727.db2.gz UTJIBQZUXADXGR-KRWDZBQOSA-N 1 1 332.394 3.462 50 0 EGAAMO O=C(Nc1ccc(OCc2ccco2)cc1)N1CC[N@H+]2CCC[C@@H]2C1 ZINC000299769860 456780122 /nfs/dbraw/zinc/78/01/22/456780122.db2.gz NUKGZLSSAMADNN-MRXNPFEDSA-N 1 1 341.411 3.171 50 0 EGAAMO Cc1ccc([C@@H](C(=O)NC(C)(C)Cc2ccc(O)cc2)[NH+](C)C)cc1 ZINC000299769834 456781033 /nfs/dbraw/zinc/78/10/33/456781033.db2.gz RKPMCIKCHDJIMK-IBGZPJMESA-N 1 1 340.467 3.441 50 0 EGAAMO Cc1ccc(NCCCNC(=O)N[C@@H](C)c2ccc(Cl)cc2)[nH+]c1 ZINC000503436957 458707967 /nfs/dbraw/zinc/70/79/67/458707967.db2.gz LJXDLAOBKCPARN-AWEZNQCLSA-N 1 1 346.862 3.328 50 0 EGAAMO Cc1cc(NCC[C@@H](C)N2CC[NH+](C)CC2)nc2ccc(F)cc12 ZINC000534590176 478160592 /nfs/dbraw/zinc/16/05/92/478160592.db2.gz NDYZCSHRAAPOGE-OAHLLOKOSA-N 1 1 330.451 3.120 50 0 EGAAMO COc1ccc(-c2nc(CN3CC[N@@H+](C)[C@@H](C)C3)c(C)o2)c(C)c1C ZINC000216364488 536511953 /nfs/dbraw/zinc/51/19/53/536511953.db2.gz ONJDAIHQDADMIU-ZDUSSCGKSA-N 1 1 343.471 3.411 50 0 EGAAMO COc1ccc(OC)c([C@@H]2CC[N@@H+](Cc3c(C)nn(C)c3Cl)C2)c1 ZINC000065525914 546564859 /nfs/dbraw/zinc/56/48/59/546564859.db2.gz FGOGHMQIFSNCKJ-CYBMUJFWSA-N 1 1 349.862 3.389 50 0 EGAAMO CC(C)C[C@H](NC(=O)c1cccs1)c1ncnn1-c1cc[nH+]cc1 ZINC000670473671 548221298 /nfs/dbraw/zinc/22/12/98/548221298.db2.gz ILMXXFVKAMSJLN-AWEZNQCLSA-N 1 1 341.440 3.241 50 0 EGAAMO COCCc1nc([C@H]2CCCCC[N@@H+]2C)n(Cc2ccccc2C)n1 ZINC000670470247 548221607 /nfs/dbraw/zinc/22/16/07/548221607.db2.gz HMTLKWFPFQFTRL-GOSISDBHSA-N 1 1 342.487 3.371 50 0 EGAAMO COCCc1nc([C@H]2CCCCC[N@H+]2C)n(Cc2ccccc2C)n1 ZINC000670470247 548221613 /nfs/dbraw/zinc/22/16/13/548221613.db2.gz HMTLKWFPFQFTRL-GOSISDBHSA-N 1 1 342.487 3.371 50 0 EGAAMO C[C@@H](c1ccon1)[N@@H+](C)[C@H]1CCC(=O)N(Cc2ccc(F)cc2)CC1 ZINC000012200167 1291130192 /nfs/dbraw/zinc/13/01/92/1291130192.db2.gz NQJBGBQUSBPGIG-YOEHRIQHSA-N 1 1 345.418 3.388 50 0 EGAAMO COc1ccc(CC[N@H+]2CCC[C@H](CN(C)Cc3ccon3)C2)cc1 ZINC000015065256 1291146044 /nfs/dbraw/zinc/14/60/44/1291146044.db2.gz HPJYMVXXJWITJD-GOSISDBHSA-N 1 1 343.471 3.070 50 0 EGAAMO C[N@H+]1CCC[C@H]1CCn1ccnc1-c1cc2ccc(F)cc2[nH]c1=O ZINC000071712217 1292268310 /nfs/dbraw/zinc/26/83/10/1292268310.db2.gz FRKFOAPSECBAQT-HNNXBMFYSA-N 1 1 340.402 3.015 50 0 EGAAMO Cc1[nH+]cn(CCNC(=O)c2c(C)nccc2-c2ccccc2)c1C ZINC000828133694 1292435637 /nfs/dbraw/zinc/43/56/37/1292435637.db2.gz PUKKCPCDSLANBM-UHFFFAOYSA-N 1 1 334.423 3.300 50 0 EGAAMO C[NH+]1CCN(C(=O)c2ccccc2Nc2ccc(Cl)cc2N)CC1 ZINC000146967401 1293877408 /nfs/dbraw/zinc/87/74/08/1293877408.db2.gz GDTYMTKNSABJKZ-UHFFFAOYSA-N 1 1 344.846 3.053 50 0 EGAAMO O=C(CCC(=O)c1ccccc1)N[C@H]1CC[N@H+](Cc2ccsc2)C1 ZINC000618256413 1298098987 /nfs/dbraw/zinc/09/89/87/1298098987.db2.gz HMSZMWLGQMGPOJ-KRWDZBQOSA-N 1 1 342.464 3.102 50 0 EGAAMO O=C(CCC(=O)c1ccccc1)N[C@H]1CC[N@@H+](Cc2ccsc2)C1 ZINC000618256413 1298099000 /nfs/dbraw/zinc/09/90/00/1298099000.db2.gz HMSZMWLGQMGPOJ-KRWDZBQOSA-N 1 1 342.464 3.102 50 0 EGAAMO C[N@@H+](C[C@@H]1Cc2ccccc2O1)C1CCN(Cc2ccco2)CC1 ZINC000823664735 1320196275 /nfs/dbraw/zinc/19/62/75/1320196275.db2.gz DMNBIVQXECTROZ-IBGZPJMESA-N 1 1 326.440 3.180 50 0 EGAAMO Cc1ccccc1-n1cc(C[N@H+](C)C2CSCCSC2)cn1 ZINC000952872563 1334584580 /nfs/dbraw/zinc/58/45/80/1334584580.db2.gz RGBYROITBFPTRB-UHFFFAOYSA-N 1 1 333.526 3.461 50 0 EGAAMO CCOc1ccc([C@H](C)NC(=O)CCn2cc[nH+]c2CC)cc1F ZINC000952962229 1334625715 /nfs/dbraw/zinc/62/57/15/1334625715.db2.gz BDFCLEBQNHGVNJ-ZDUSSCGKSA-N 1 1 333.407 3.251 50 0 EGAAMO CC(=O)c1cc(C[N@@H+](C)C[C@@H]2CCN(c3ccccc3)C2)n(C)c1 ZINC000952980235 1334629286 /nfs/dbraw/zinc/62/92/86/1334629286.db2.gz YTJYUUOVELDJRE-KRWDZBQOSA-N 1 1 325.456 3.186 50 0 EGAAMO CCc1nc2cc(NC(=O)C[N@@H+](C)C3CCCC3)ccc2n1CC ZINC000952983842 1334629823 /nfs/dbraw/zinc/62/98/23/1334629823.db2.gz RNCQCHQBZZIOHN-UHFFFAOYSA-N 1 1 328.460 3.432 50 0 EGAAMO COc1ccc(NC(=O)C(C)C)c(NC(=O)C[N@@H+](C)C2CCCC2)c1 ZINC000952982918 1334630202 /nfs/dbraw/zinc/63/02/02/1334630202.db2.gz QNBWJMFKZUBTFE-UHFFFAOYSA-N 1 1 347.459 3.103 50 0 EGAAMO O=C(CCCc1ccccc1)N1CCC[N@@H+](C[C@@H]2CCCCO2)CC1 ZINC001197022872 1368732525 /nfs/dbraw/zinc/73/25/25/1368732525.db2.gz YFZYGCPSPVPOIA-FQEVSTJZSA-N 1 1 344.499 3.113 50 0 EGAAMO Cc1c[nH+]c(NCc2cc(-c3ccc(F)cc3)no2)nc1N(C)C ZINC001704313614 1416438980 /nfs/dbraw/zinc/43/89/80/1416438980.db2.gz JRRUDYYMNZHYKE-UHFFFAOYSA-N 1 1 327.363 3.257 50 0 EGAAMO CNC(=O)c1ccc(C[N@H+]2CCCC[C@H]2CCc2ccccn2)o1 ZINC001704353167 1416453536 /nfs/dbraw/zinc/45/35/36/1416453536.db2.gz SKHXAPIRELAGRD-INIZCTEOSA-N 1 1 327.428 3.022 50 0 EGAAMO COc1cc(OC)c(CN2CC([N@H+]3CCCC[C@H]3C)C2)cc1Cl ZINC001704353063 1416453736 /nfs/dbraw/zinc/45/37/36/1416453736.db2.gz PJFGQJQZXGZAIW-CYBMUJFWSA-N 1 1 338.879 3.416 50 0 EGAAMO COC(C)(C)C[C@H](C)[N@H+]1CCCN(C(=O)Cc2ccccc2C)CC1 ZINC001772805107 1441417394 /nfs/dbraw/zinc/41/73/94/1441417394.db2.gz HNNFBKSXNVFKDW-SFHVURJKSA-N 1 1 346.515 3.275 50 0 EGAAMO CCc1n[nH]cc1C(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+]1CCCC1 ZINC000097642582 219044471 /nfs/dbraw/zinc/04/44/71/219044471.db2.gz ZMJUZADKTSILKZ-KRWDZBQOSA-N 1 1 346.862 3.192 50 0 EGAAMO CC[N@H+]1CCCC[C@H]1C(=O)N(CCOC)Cc1ccccc1Cl ZINC000097698606 219049850 /nfs/dbraw/zinc/04/98/50/219049850.db2.gz PSSUFDSGDKPYQD-KRWDZBQOSA-N 1 1 338.879 3.189 50 0 EGAAMO CCc1ccc(C[N@H+](CC)Cc2ccc(S(=O)(=O)NC)cc2)cc1 ZINC000055568603 214330754 /nfs/dbraw/zinc/33/07/54/214330754.db2.gz HUNIJEIOTJVRBG-UHFFFAOYSA-N 1 1 346.496 3.179 50 0 EGAAMO CC1(C)CCC[N@@H+](CC(=O)N2CCc3[nH]c4ccccc4c3C2)C1 ZINC000004061901 210110224 /nfs/dbraw/zinc/11/02/24/210110224.db2.gz FVPVBDZOGPDGGF-UHFFFAOYSA-N 1 1 325.456 3.175 50 0 biogenic EGAAMO Cc1cc(Br)cc(C)c1NC(=O)C[NH+]1CCCCC1 ZINC000003631596 210069289 /nfs/dbraw/zinc/06/92/89/210069289.db2.gz UUVAZBRXGLBOCD-UHFFFAOYSA-N 1 1 325.250 3.490 50 0 EGAAMO CC(C)C[N@H+]1CCC[C@@H](CNC(=O)c2cccc3cnccc32)C1 ZINC000067446743 215147237 /nfs/dbraw/zinc/14/72/37/215147237.db2.gz FJVVASITUIBIBR-INIZCTEOSA-N 1 1 325.456 3.333 50 0 EGAAMO CC[C@@H](C(=O)Nc1cc(C2=CCC[N@@H+](C)C2)nn1C)c1ccccc1 ZINC000067740470 215199714 /nfs/dbraw/zinc/19/97/14/215199714.db2.gz WHIBAKNLKWMORD-QGZVFWFLSA-N 1 1 338.455 3.271 50 0 EGAAMO CCn1c(C[N@@H+]2CC[C@@H](CNC(=O)C(C)(C)C)C2)nc2ccccc21 ZINC000067783735 215210551 /nfs/dbraw/zinc/21/05/51/215210551.db2.gz DRZYHTKCLFWYHK-HNNXBMFYSA-N 1 1 342.487 3.040 50 0 EGAAMO CCn1c(C[N@H+]2CC[C@@H](CNC(=O)C(C)(C)C)C2)nc2ccccc21 ZINC000067783735 215210554 /nfs/dbraw/zinc/21/05/54/215210554.db2.gz DRZYHTKCLFWYHK-HNNXBMFYSA-N 1 1 342.487 3.040 50 0 EGAAMO Cc1nc(-c2ccccc2)c(C(=O)NC[C@@H]2CCC[N@H+](C)C2)s1 ZINC000067921697 215250926 /nfs/dbraw/zinc/25/09/26/215250926.db2.gz GSTGMWDGCZFXKY-AWEZNQCLSA-N 1 1 329.469 3.190 50 0 EGAAMO O=C(c1ccncc1)N1CCC[C@H]1[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000069348486 215381491 /nfs/dbraw/zinc/38/14/91/215381491.db2.gz DLTHOCRRQVUWSB-PMACEKPBSA-N 1 1 335.451 3.351 50 0 EGAAMO Cc1cc2[nH+]c(NCCCO)n(CC(=O)c3cccs3)c2cc1C ZINC000039931479 213244070 /nfs/dbraw/zinc/24/40/70/213244070.db2.gz DXSNAPLOJTXVEJ-UHFFFAOYSA-N 1 1 343.452 3.392 50 0 EGAAMO Cc1cccnc1N1CC[NH+](Cc2ccc(-c3cc[nH]n3)s2)CC1 ZINC000072122614 216015000 /nfs/dbraw/zinc/01/50/00/216015000.db2.gz YQVFZURMQNQJQV-UHFFFAOYSA-N 1 1 339.468 3.164 50 0 EGAAMO Cc1ccc([C@H]2C[N@@H+](Cc3ccccn3)[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000072142013 216027931 /nfs/dbraw/zinc/02/79/31/216027931.db2.gz TXVKGCDLFLPJCV-YPAWHYETSA-N 1 1 333.479 3.452 50 0 EGAAMO Cc1ccc([C@H]2CN(Cc3ccccn3)[C@H]3[C@@H]2[NH+]2CCC3CC2)cc1 ZINC000072142013 216027935 /nfs/dbraw/zinc/02/79/35/216027935.db2.gz TXVKGCDLFLPJCV-YPAWHYETSA-N 1 1 333.479 3.452 50 0 EGAAMO COCCc1noc([C@H]2CCC[N@@H+](Cc3ccc(Cl)s3)C2)n1 ZINC000072171253 216062497 /nfs/dbraw/zinc/06/24/97/216062497.db2.gz ZAXQXCMDWBEWTF-NSHDSACASA-N 1 1 341.864 3.353 50 0 EGAAMO Cc1ccc(CCN2C(=O)CC[C@H]3C[N@H+](Cc4ccoc4)CC[C@H]32)o1 ZINC000072430671 216223707 /nfs/dbraw/zinc/22/37/07/216223707.db2.gz QWNLCXKUZJAZOM-PKOBYXMFSA-N 1 1 342.439 3.237 50 0 EGAAMO CCN1C[C@@]2(CCC[N@@H+](CCCC(=O)c3ccccc3)C2)CCC1=O ZINC000072469859 216249300 /nfs/dbraw/zinc/24/93/00/216249300.db2.gz LTGNLWWRYFOUGV-NRFANRHFSA-N 1 1 342.483 3.374 50 0 EGAAMO Cc1nc(C[NH+]2CCC([C@@H](O)Cc3ccccc3)CC2)c2ccccn12 ZINC000072477511 216255243 /nfs/dbraw/zinc/25/52/43/216255243.db2.gz LLUZRMVABRXKDW-QFIPXVFZSA-N 1 1 349.478 3.458 50 0 EGAAMO c1ccc(COc2ccc(OCCC[NH+]3CCOCC3)cc2)cc1 ZINC000022309789 212288299 /nfs/dbraw/zinc/28/82/99/212288299.db2.gz CVWYLXFIHMXYFB-UHFFFAOYSA-N 1 1 327.424 3.367 50 0 EGAAMO Cc1cc(CN2CCN(C)CC2)c(C)c(C[N@H+]2CCC[C@H](C)C2)c1 ZINC000215137542 241107268 /nfs/dbraw/zinc/10/72/68/241107268.db2.gz XFROIUOZZLPLOR-KRWDZBQOSA-N 1 1 329.532 3.283 50 0 EGAAMO Cc1cc(CN2CCN(C)CC2)c(C)c(C[N@@H+]2CCC[C@H](C)C2)c1 ZINC000215137542 241107272 /nfs/dbraw/zinc/10/72/72/241107272.db2.gz XFROIUOZZLPLOR-KRWDZBQOSA-N 1 1 329.532 3.283 50 0 EGAAMO COc1ccc(C[N@@H+](C)[C@@H]2CCOC(C)(C)C2)cc1Cn1cccn1 ZINC000215211924 241112281 /nfs/dbraw/zinc/11/22/81/241112281.db2.gz ULEOBWMKHAGZOY-GOSISDBHSA-N 1 1 343.471 3.329 50 0 EGAAMO CCc1ncc(C[N@H+]2CCC[C@@H](c3nc4ccccc4n3C)C2)cn1 ZINC000215262586 241113147 /nfs/dbraw/zinc/11/31/47/241113147.db2.gz VVAGNAZDGUXNDV-MRXNPFEDSA-N 1 1 335.455 3.305 50 0 EGAAMO Cc1noc(CC2CC[NH+](Cc3cc4c(cc3Cl)OCO4)CC2)n1 ZINC000215759256 241142737 /nfs/dbraw/zinc/14/27/37/241142737.db2.gz KICWWRSHQAECCH-UHFFFAOYSA-N 1 1 349.818 3.215 50 0 EGAAMO CC[N@H+](Cc1ccncc1)Cc1cc2c(cc1OC)OCCCO2 ZINC000216424417 241190622 /nfs/dbraw/zinc/19/06/22/241190622.db2.gz BMGDAGAKFICVRU-UHFFFAOYSA-N 1 1 328.412 3.274 50 0 EGAAMO CC[N@@H+](Cc1ccncc1)Cc1cc2c(cc1OC)OCCCO2 ZINC000216424417 241190628 /nfs/dbraw/zinc/19/06/28/241190628.db2.gz BMGDAGAKFICVRU-UHFFFAOYSA-N 1 1 328.412 3.274 50 0 EGAAMO C[NH+](C)[C@@H]1CCCN(CCC(=O)Nc2ccc(F)c(Cl)c2)CC1 ZINC000244774138 243080107 /nfs/dbraw/zinc/08/01/07/243080107.db2.gz POLTVZZTSVBYPQ-CQSZACIVSA-N 1 1 341.858 3.224 50 0 EGAAMO CCN(C(=O)CC[N@H+]1CCC[C@H](C(C)(C)O)C1)c1ccccc1C ZINC000244874450 243096042 /nfs/dbraw/zinc/09/60/42/243096042.db2.gz XBMWKXJKVAXDNC-KRWDZBQOSA-N 1 1 332.488 3.221 50 0 EGAAMO CCOc1ccccc1CN1CC[N@@H+](CC(C)(C)C)C[C@@H]1CCO ZINC000020536800 212144473 /nfs/dbraw/zinc/14/44/73/212144473.db2.gz BPSDJOVEBOTWGX-SFHVURJKSA-N 1 1 334.504 3.000 50 0 EGAAMO CC1CC[NH+]([C@H]2CC(=O)N(c3cc(Cl)cc(Cl)c3)C2=O)CC1 ZINC000020458857 212133151 /nfs/dbraw/zinc/13/31/51/212133151.db2.gz HDJWVMWGPJVYLB-AWEZNQCLSA-N 1 1 341.238 3.357 50 0 EGAAMO Cc1c[nH]c(C[NH+]2CCN(c3ccc(Cl)cc3)CC2)c(C)c1=O ZINC000253536863 244017082 /nfs/dbraw/zinc/01/70/82/244017082.db2.gz QGFJSLCANIFPJM-UHFFFAOYSA-N 1 1 331.847 3.380 50 0 EGAAMO Clc1cc(Br)ccc1OCCC[NH+]1CCOCC1 ZINC000020118224 212103024 /nfs/dbraw/zinc/10/30/24/212103024.db2.gz WRBAMCNZONKTIH-UHFFFAOYSA-N 1 1 334.641 3.204 50 0 EGAAMO C[C@@H]1C[N@H+](Cc2ccccc2)CCN1CC(=O)c1ccc(F)cc1 ZINC000019894104 212079873 /nfs/dbraw/zinc/07/98/73/212079873.db2.gz DELKHQOLDUKAKC-MRXNPFEDSA-N 1 1 326.415 3.215 50 0 EGAAMO C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1CC(=O)c1ccc(F)cc1 ZINC000019894104 212079874 /nfs/dbraw/zinc/07/98/74/212079874.db2.gz DELKHQOLDUKAKC-MRXNPFEDSA-N 1 1 326.415 3.215 50 0 EGAAMO Cc1nc2sc3c(c2c(NCCC[NH+]2CCOCC2)n1)CCCC3 ZINC000019902820 212081672 /nfs/dbraw/zinc/08/16/72/212081672.db2.gz FQDUGMASAWWKSH-UHFFFAOYSA-N 1 1 346.500 3.013 50 0 EGAAMO Cc1ncc(C[N@H+](C)[C@H]2CCCN(Cc3ccccc3F)C2)cn1 ZINC000019839082 212073873 /nfs/dbraw/zinc/07/38/73/212073873.db2.gz BHOPTYJPAHGKMN-SFHVURJKSA-N 1 1 328.435 3.021 50 0 EGAAMO Cc1ncc(CN(C)[C@H]2CCC[N@H+](Cc3ccccc3F)C2)cn1 ZINC000019839082 212073876 /nfs/dbraw/zinc/07/38/76/212073876.db2.gz BHOPTYJPAHGKMN-SFHVURJKSA-N 1 1 328.435 3.021 50 0 EGAAMO Cc1ncc(CN(C)[C@H]2CCC[N@@H+](Cc3ccccc3F)C2)cn1 ZINC000019839082 212073878 /nfs/dbraw/zinc/07/38/78/212073878.db2.gz BHOPTYJPAHGKMN-SFHVURJKSA-N 1 1 328.435 3.021 50 0 EGAAMO COc1ccccc1C[N@@H+]1CCC(=O)N(Cc2cccc(F)c2)CC1 ZINC000014989887 211784997 /nfs/dbraw/zinc/78/49/97/211784997.db2.gz ZOQIKHNIFCMVCY-UHFFFAOYSA-N 1 1 342.414 3.069 50 0 EGAAMO CCOC(=O)[C@@]1(CCOC)CCC[N@@H+](C/C(C)=C/c2ccco2)C1 ZINC000012387551 211364824 /nfs/dbraw/zinc/36/48/24/211364824.db2.gz FTGIKTFLROCENR-NRMGUKERSA-N 1 1 335.444 3.365 50 0 EGAAMO O=C1O[C@@H]2C[N@@H+](C3CCCC3)C[C@@H]2N1CCc1cccc(Cl)c1 ZINC000012196235 211317664 /nfs/dbraw/zinc/31/76/64/211317664.db2.gz RJZYAMINQFBKJI-DLBZAZTESA-N 1 1 334.847 3.330 50 0 EGAAMO O=C(NC[C@@H]1CCC[N@H+](Cc2ccc(O)cc2)C1)c1ccc(F)cc1 ZINC000012073166 211286266 /nfs/dbraw/zinc/28/62/66/211286266.db2.gz GTBVXQOQDMYBAI-INIZCTEOSA-N 1 1 342.414 3.173 50 0 EGAAMO Cc1cc(C[N@H+](C)[C@@H]2CCC(=O)N(Cc3cccc(C)c3)CC2)on1 ZINC000012037926 211283569 /nfs/dbraw/zinc/28/35/69/211283569.db2.gz MBMNVRRZMDKCMT-GOSISDBHSA-N 1 1 341.455 3.305 50 0 EGAAMO COc1ccc(-c2noc(C[N@H+](C)CC[C@@H]3CCCCO3)n2)cc1 ZINC000011949034 211274230 /nfs/dbraw/zinc/27/42/30/211274230.db2.gz UMEXASRKXFGCSB-INIZCTEOSA-N 1 1 331.416 3.136 50 0 EGAAMO COc1ccc(-c2noc(C[N@@H+](C)CC[C@@H]3CCCCO3)n2)cc1 ZINC000011949034 211274233 /nfs/dbraw/zinc/27/42/33/211274233.db2.gz UMEXASRKXFGCSB-INIZCTEOSA-N 1 1 331.416 3.136 50 0 EGAAMO Cc1nc(C(=O)N2CCC[C@H]([N@@H+](C)Cc3ccccc3)C2)cs1 ZINC000011815667 211251018 /nfs/dbraw/zinc/25/10/18/211251018.db2.gz ZMZLCJBUJLENQM-INIZCTEOSA-N 1 1 329.469 3.188 50 0 EGAAMO COCCn1cc[nH+]c1[C@H]1CCCN(c2ccc3ccccc3n2)C1 ZINC000091625251 218034108 /nfs/dbraw/zinc/03/41/08/218034108.db2.gz BTWJWQWIZAOJGP-KRWDZBQOSA-N 1 1 336.439 3.462 50 0 EGAAMO CC(C)[N@H+]1CCC[C@H](CN(C)C(=O)CCc2ccc(N(C)C)cc2)C1 ZINC000091587107 218027194 /nfs/dbraw/zinc/02/71/94/218027194.db2.gz HPLOLHHGNUZSNV-LJQANCHMSA-N 1 1 345.531 3.264 50 0 EGAAMO CC(C)(C)OC(=O)[C@@H]1CC[N@H+](C2CCN(Cc3ccccc3)CC2)C1 ZINC000091696207 218050608 /nfs/dbraw/zinc/05/06/08/218050608.db2.gz UNWHCTMDYJWQSA-GOSISDBHSA-N 1 1 344.499 3.315 50 0 EGAAMO Fc1ccc(C[N@H+]2CCc3nnc(-c4ccccc4)n3CC2)cc1F ZINC000011813358 211249662 /nfs/dbraw/zinc/24/96/62/211249662.db2.gz UHTFTJULMUDWBX-UHFFFAOYSA-N 1 1 340.377 3.282 50 0 EGAAMO Fc1ccc(C[N@@H+]2CCc3nnc(-c4ccccc4)n3CC2)cc1F ZINC000011813358 211249668 /nfs/dbraw/zinc/24/96/68/211249668.db2.gz UHTFTJULMUDWBX-UHFFFAOYSA-N 1 1 340.377 3.282 50 0 EGAAMO Cc1nc2c(ncnc2NC[C@H]2CC[N@@H+](Cc3ccccc3C)C2)o1 ZINC000091645040 218038849 /nfs/dbraw/zinc/03/88/49/218038849.db2.gz OBKVFRLKJYAZJS-OAHLLOKOSA-N 1 1 337.427 3.169 50 0 EGAAMO O[C@H](COC12CC3CC(CC(C3)C1)C2)C[N@H+]1CCc2ccccc2C1 ZINC000010434715 211172370 /nfs/dbraw/zinc/17/23/70/211172370.db2.gz DPTCMAQAMFSUSH-UTANWOJPSA-N 1 1 341.495 3.391 50 0 EGAAMO c1cc2c(ncnc2N2C[C@H]3CC[C@H](C[N@@H+]3Cc3ccccc3)C2)[nH]1 ZINC000095358095 218291935 /nfs/dbraw/zinc/29/19/35/218291935.db2.gz FROZZNIPSZWQPR-IAGOWNOFSA-N 1 1 333.439 3.059 50 0 EGAAMO CCSc1ncc(CN2C[C@H]3CC[C@H](C[N@@H+]3CC=C(C)C)C2)cn1 ZINC000095368666 218301766 /nfs/dbraw/zinc/30/17/66/218301766.db2.gz YOJGDQAJDCRKPZ-FUHWJXTLSA-N 1 1 346.544 3.451 50 0 EGAAMO CCSc1ncc(C[N@@H+]2C[C@@H]3CC[C@H](C2)N(CC=C(C)C)C3)cn1 ZINC000095368666 218301768 /nfs/dbraw/zinc/30/17/68/218301768.db2.gz YOJGDQAJDCRKPZ-FUHWJXTLSA-N 1 1 346.544 3.451 50 0 EGAAMO CCSc1ncc(C[N@H+]2C[C@@H]3CC[C@H](C2)N(CC=C(C)C)C3)cn1 ZINC000095368666 218301769 /nfs/dbraw/zinc/30/17/69/218301769.db2.gz YOJGDQAJDCRKPZ-FUHWJXTLSA-N 1 1 346.544 3.451 50 0 EGAAMO C[N@H+]1CCCC[C@H]1CCC(=O)NCCOCc1ccc(Cl)cc1 ZINC000095377104 218310032 /nfs/dbraw/zinc/31/00/32/218310032.db2.gz LKKMRJURQSEFCU-KRWDZBQOSA-N 1 1 338.879 3.237 50 0 EGAAMO CCCN(Cc1cccnc1)C(=O)[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000095377817 218310394 /nfs/dbraw/zinc/31/03/94/218310394.db2.gz RHPBCFUPJVXZTQ-SFHVURJKSA-N 1 1 329.419 3.262 50 0 EGAAMO CCOC(=O)[C@H]1CCC[N@@H+](CCCCOc2cccc(OC)c2)C1 ZINC000006703651 210686535 /nfs/dbraw/zinc/68/65/35/210686535.db2.gz RTJIGLPANWGWLH-INIZCTEOSA-N 1 1 335.444 3.129 50 0 EGAAMO CC[C@@H](C)[C@H]([NH3+])c1nnc(SCC(=O)Nc2cc(C)ccc2C)o1 ZINC000005098632 210389660 /nfs/dbraw/zinc/38/96/60/210389660.db2.gz PXNLIXLHMZNWKZ-ABAIWWIYSA-N 1 1 348.472 3.463 50 0 EGAAMO COc1cc(Cl)c(CN2CC[N@H+]3CCC[C@@H]3C2)c(Cl)c1OC ZINC000097528087 219033318 /nfs/dbraw/zinc/03/33/18/219033318.db2.gz IRQDVYNFDYEIQK-LLVKDONJSA-N 1 1 345.270 3.291 50 0 EGAAMO CC(=O)Nc1ccc(C[N@H+](Cc2ccccc2)C[C@@H](C)CO)cc1 ZINC000055061027 258061009 /nfs/dbraw/zinc/06/10/09/258061009.db2.gz RBFHBQMPBPSGRK-MRXNPFEDSA-N 1 1 326.440 3.276 50 0 EGAAMO Cc1cc(NC(=O)[C@H]2CCC[N@H+](C)C2)n(Cc2ccccc2Cl)n1 ZINC000055060765 258061279 /nfs/dbraw/zinc/06/12/79/258061279.db2.gz ACTIZDUNFOZFSK-HNNXBMFYSA-N 1 1 346.862 3.174 50 0 EGAAMO Cc1ccccc1[C@@H]1CC[N@H+](CCNC(=O)c2cc(Cl)cn2C)C1 ZINC000299756395 258075074 /nfs/dbraw/zinc/07/50/74/258075074.db2.gz HUBOLPPZKISNBY-OAHLLOKOSA-N 1 1 345.874 3.206 50 0 EGAAMO CCc1[nH+]ccn1CCC(=O)N[C@H](CC)c1nc2cc(C)ccc2[nH]1 ZINC000299764883 258080356 /nfs/dbraw/zinc/08/03/56/258080356.db2.gz VGXQOSWYRRMMLG-CQSZACIVSA-N 1 1 339.443 3.288 50 0 EGAAMO CCc1[nH+]ccn1CCC(=O)N[C@H](CC)c1nc2ccc(C)cc2[nH]1 ZINC000299764883 258080360 /nfs/dbraw/zinc/08/03/60/258080360.db2.gz VGXQOSWYRRMMLG-CQSZACIVSA-N 1 1 339.443 3.288 50 0 EGAAMO O=C(c1ccccc1)N1CCC[N@@H+](CCCOc2ccccc2)CC1 ZINC000097132256 162047437 /nfs/dbraw/zinc/04/74/37/162047437.db2.gz KXHVMOWDTOFWOC-UHFFFAOYSA-N 1 1 338.451 3.304 50 0 EGAAMO COc1ccnc(C[N@H+]2C[C@H](c3ccccc3)[C@@H]3[C@H]2C2CCN3CC2)c1 ZINC000072146885 274163622 /nfs/dbraw/zinc/16/36/22/274163622.db2.gz TYFQQPLLCCYAMD-YPAWHYETSA-N 1 1 349.478 3.152 50 0 EGAAMO COc1ccnc(CN2C[C@H](c3ccccc3)[C@@H]3[C@H]2C2CC[NH+]3CC2)c1 ZINC000072146885 274163623 /nfs/dbraw/zinc/16/36/23/274163623.db2.gz TYFQQPLLCCYAMD-YPAWHYETSA-N 1 1 349.478 3.152 50 0 EGAAMO COc1cc(C[N@H+]2CCC[C@@](CO)(Cc3ccccc3)C2)ccc1O ZINC000011662169 275120188 /nfs/dbraw/zinc/12/01/88/275120188.db2.gz MUMHCQHBISYEPQ-OAQYLSRUSA-N 1 1 341.451 3.218 50 0 EGAAMO CC[N@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(F)cc2)N3)C1 ZINC000006891463 276236792 /nfs/dbraw/zinc/23/67/92/276236792.db2.gz RBIUTPQVDXLXTM-HNNXBMFYSA-N 1 1 331.416 3.119 50 0 EGAAMO CC[N@@H+](C)C1(CNC(=O)[C@@H](c2ccc(F)cc2)N(C)C)CCCCC1 ZINC000095384674 279029485 /nfs/dbraw/zinc/02/94/85/279029485.db2.gz KTXFWFMNJRLBPL-GOSISDBHSA-N 1 1 349.494 3.199 50 0 EGAAMO O=C1N(CC2CCCCC2)CCC[C@]12CC[N@H+](C1CCOCC1)C2 ZINC000014977589 280276164 /nfs/dbraw/zinc/27/61/64/280276164.db2.gz KZJUKLGSMOVTOA-HXUWFJFHSA-N 1 1 334.504 3.060 50 0 EGAAMO Cc1cc(C(=O)NCCC[NH+]2CCOCC2)sc1-c1ccccc1 ZINC000013327558 280348687 /nfs/dbraw/zinc/34/86/87/280348687.db2.gz ZPLKBZAGXZYOON-UHFFFAOYSA-N 1 1 344.480 3.176 50 0 EGAAMO Cc1nc2c(c(N[C@H]3CCC[C@H]3Cc3ccc(F)cc3)n1)C[NH2+]C2 ZINC000072157563 282012993 /nfs/dbraw/zinc/01/29/93/282012993.db2.gz NVKLNBWVJNZXRJ-YOEHRIQHSA-N 1 1 326.419 3.351 50 0 EGAAMO CC[C@@H]1[C@H](CO)CC[N@H+]1Cc1cc(-c2ccncc2)ccc1OC ZINC000449428939 310061405 /nfs/dbraw/zinc/06/14/05/310061405.db2.gz UNUQMOJLRZRNNW-PKOBYXMFSA-N 1 1 326.440 3.350 50 0 EGAAMO COc1ccc(C[NH+]2CCN(c3ccccc3C)CC2)c(OC)c1 ZINC000000293879 452556565 /nfs/dbraw/zinc/55/65/65/452556565.db2.gz ISRVVDOAXXLRFL-UHFFFAOYSA-N 1 1 326.440 3.334 50 0 EGAAMO CCc1ccccc1NC(=O)CSc1nnc([C@@H]([NH3+])[C@@H](C)CC)o1 ZINC000006359357 452938769 /nfs/dbraw/zinc/93/87/69/452938769.db2.gz BDANBUOWEMNOHH-NHYWBVRUSA-N 1 1 348.472 3.409 50 0 EGAAMO CC(C)[N@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccccn2)N3)C1 ZINC000006417151 452942705 /nfs/dbraw/zinc/94/27/05/452942705.db2.gz BQBZZLKSTOEYMF-HNNXBMFYSA-N 1 1 328.441 3.339 50 0 EGAAMO COc1ccc(CN2CC[N@@H+](C[C@H]3CC=CCC3)CCC2=O)cc1 ZINC000014981331 453549571 /nfs/dbraw/zinc/54/95/71/453549571.db2.gz ZUGMXGQPSKOEIP-KRWDZBQOSA-N 1 1 328.456 3.086 50 0 EGAAMO CN(CCCC1CCCC1)C(=O)[C@@H]1CCC[N@H+](C2CCN(C)CC2)C1 ZINC000015079858 453554258 /nfs/dbraw/zinc/55/42/58/453554258.db2.gz UAWHPCCIKUMSNC-LJQANCHMSA-N 1 1 349.563 3.221 50 0 EGAAMO CCn1ccnc1C[N@@H+]1CCC[C@@](CO)(CCc2ccccc2)C1 ZINC000015078977 453554919 /nfs/dbraw/zinc/55/49/19/453554919.db2.gz WRMFCIQELGZFCJ-HXUWFJFHSA-N 1 1 327.472 3.110 50 0 EGAAMO CCn1ccnc1C[N@H+]1CCC[C@@](CO)(CCc2ccccc2)C1 ZINC000015078977 453554925 /nfs/dbraw/zinc/55/49/25/453554925.db2.gz WRMFCIQELGZFCJ-HXUWFJFHSA-N 1 1 327.472 3.110 50 0 EGAAMO Cc1ccccc1O[C@@H](C)C(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000016605600 453616084 /nfs/dbraw/zinc/61/60/84/453616084.db2.gz XRVGSHPMCPBFSA-SFHVURJKSA-N 1 1 338.451 3.107 50 0 EGAAMO Cc1ccc(N2C(=O)C[C@H]([N@H+]3CCC[C@H]4CCCC[C@@H]43)C2=O)cc1 ZINC000036047203 453925276 /nfs/dbraw/zinc/92/52/76/453925276.db2.gz NZUUPLWSKJXMDC-NJAFHUGGSA-N 1 1 326.440 3.282 50 0 EGAAMO CC(C)CCN1C[C@@]2(CCC[N@@H+](Cc3ccccn3)C2)CCC1=O ZINC000077320427 454090467 /nfs/dbraw/zinc/09/04/67/454090467.db2.gz HIGLOFKYOPVLRS-FQEVSTJZSA-N 1 1 329.488 3.332 50 0 EGAAMO CCc1c[nH]nc1[C@H]1CCC[N@@H+](Cc2cc3c(c(OC)c2)OCO3)C1 ZINC000077337887 454093274 /nfs/dbraw/zinc/09/32/74/454093274.db2.gz PBFHLHXEZNIFCE-HNNXBMFYSA-N 1 1 343.427 3.089 50 0 EGAAMO COc1cccc(C[N@H+]2CCC[C@]3(CCC(=O)N(C4CC4)C3)C2)c1 ZINC000077440528 454106224 /nfs/dbraw/zinc/10/62/24/454106224.db2.gz IQMLTJARSVZNGD-FQEVSTJZSA-N 1 1 328.456 3.062 50 0 EGAAMO C[C@@H](C1CCN(Cc2ccc(Cl)cc2)CC1)[NH+]1CCN(C)CC1 ZINC000077555214 454122014 /nfs/dbraw/zinc/12/20/14/454122014.db2.gz YVUSDAXOXKVDPV-INIZCTEOSA-N 1 1 335.923 3.188 50 0 EGAAMO Cc1ccc(C[N@H+]2CC[C@@H](CNC(=O)c3ccco3)C2)c(C)c1F ZINC000071278573 454204104 /nfs/dbraw/zinc/20/41/04/454204104.db2.gz ICCWKIKRMVWHBQ-HNNXBMFYSA-N 1 1 330.403 3.287 50 0 EGAAMO COc1ccc([C@@H]2C[N@@H+](Cc3ccco3)[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000071721315 454211458 /nfs/dbraw/zinc/21/14/58/454211458.db2.gz MITFJYQMNIDFEZ-PWRODBHTSA-N 1 1 338.451 3.350 50 0 EGAAMO COc1ccc(F)c(-c2nc(C[N@H+]3CCC[C@](C)(O)C3)c(C)o2)c1 ZINC000071748915 454213418 /nfs/dbraw/zinc/21/34/18/454213418.db2.gz AWYUHGCWEZQLQT-SFHVURJKSA-N 1 1 334.391 3.145 50 0 EGAAMO CSc1ccc(-c2nc(C[N@@H+]3CC[C@H](NC(C)=O)C3)c(C)o2)cc1 ZINC000071753695 454214650 /nfs/dbraw/zinc/21/46/50/454214650.db2.gz WODYTQNJGZUDIK-HNNXBMFYSA-N 1 1 345.468 3.082 50 0 EGAAMO CSc1ccc(-c2nc(C[N@H+]3CC[C@H](NC(C)=O)C3)c(C)o2)cc1 ZINC000071753695 454214654 /nfs/dbraw/zinc/21/46/54/454214654.db2.gz WODYTQNJGZUDIK-HNNXBMFYSA-N 1 1 345.468 3.082 50 0 EGAAMO CCCc1cc(N2CCC([N@@H+](C)C[C@H]3CCCCO3)CC2)nc(C)n1 ZINC000095513245 454225079 /nfs/dbraw/zinc/22/50/79/454225079.db2.gz IQNMXVYGGKGLRT-LJQANCHMSA-N 1 1 346.519 3.207 50 0 EGAAMO CC(C)c1[nH+]ccn1[C@@H](C)C(=O)NCCc1nc2c(s1)CCCC2 ZINC000095515446 454226693 /nfs/dbraw/zinc/22/66/93/454226693.db2.gz HPMANIKXNFGVOV-ZDUSSCGKSA-N 1 1 346.500 3.262 50 0 EGAAMO Cc1ccccc1[C@H](C(=O)N(Cc1cccc(O)c1)C1CC1)[NH+](C)C ZINC000095531593 454228951 /nfs/dbraw/zinc/22/89/51/454228951.db2.gz CVFCONFCULLZHY-HXUWFJFHSA-N 1 1 338.451 3.495 50 0 EGAAMO C[C@@H]1CCCC[N@H+]1C1CN(C(=O)Nc2ccc(-c3cc[nH]n3)cc2)C1 ZINC000096137897 454292185 /nfs/dbraw/zinc/29/21/85/454292185.db2.gz ZKGXAYLZVOLZKS-CQSZACIVSA-N 1 1 339.443 3.167 50 0 EGAAMO CN(c1ccccc1)c1ccc(C[N@H+]2CCC[C@](O)(CO)CC2)cc1 ZINC000097117523 454412980 /nfs/dbraw/zinc/41/29/80/454412980.db2.gz LWSZDEHRMOLZAW-OAQYLSRUSA-N 1 1 340.467 3.164 50 0 EGAAMO Cc1ccc(NC[C@@H]2CCN(c3nccc(C(F)(F)F)n3)C2)[nH+]c1 ZINC000097200961 454422688 /nfs/dbraw/zinc/42/26/88/454422688.db2.gz YXYOLKRTGLBBRY-LBPRGKRZSA-N 1 1 337.349 3.137 50 0 EGAAMO CCN1CC2(CCC1=O)CC[NH+](Cc1ccc(F)c(F)c1F)CC2 ZINC000091304036 454422993 /nfs/dbraw/zinc/42/29/93/454422993.db2.gz HYEMNCULVWPOKU-UHFFFAOYSA-N 1 1 340.389 3.328 50 0 EGAAMO O=C1N(CC2CCC2)CCC[C@]12CC[N@@H+](Cc1cc(C3CC3)on1)C2 ZINC000091780714 454470808 /nfs/dbraw/zinc/47/08/08/454470808.db2.gz USDZDWRACLHOFN-HXUWFJFHSA-N 1 1 343.471 3.167 50 0 EGAAMO C[C@H]1CCC[N@@H+](CCCNS(=O)(=O)c2ccc3ccccc3c2)C1 ZINC000048311023 454471753 /nfs/dbraw/zinc/47/17/53/454471753.db2.gz LRRTYHBIMCLVHO-INIZCTEOSA-N 1 1 346.496 3.240 50 0 EGAAMO CCOc1cc(C[N@H+]2CC[C@@H](c3ccc(F)cc3)[C@H](O)C2)ccc1O ZINC000065372395 454555231 /nfs/dbraw/zinc/55/52/31/454555231.db2.gz BATYSJKCWYQHQK-PKOBYXMFSA-N 1 1 345.414 3.280 50 0 EGAAMO Cc1ncsc1CCC(=O)N1CCCC[C@@H]1CCn1cc[nH+]c1C ZINC000065493008 454577155 /nfs/dbraw/zinc/57/71/55/454577155.db2.gz CBMPWGLIFLGYNT-MRXNPFEDSA-N 1 1 346.500 3.360 50 0 EGAAMO CC(C)N(Cc1nccn1C)C(=O)[C@@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000065502464 454579151 /nfs/dbraw/zinc/57/91/51/454579151.db2.gz CMFJCMGEDUZSHV-QGZVFWFLSA-N 1 1 346.519 3.202 50 0 EGAAMO O=C(c1ccccn1)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000106580845 454703282 /nfs/dbraw/zinc/70/32/82/454703282.db2.gz OIXBDLWIKITHDB-VQTJNVASSA-N 1 1 335.451 3.351 50 0 EGAAMO O=C(c1ccncc1)N1CCC[C@@H]1[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000106638371 454709113 /nfs/dbraw/zinc/70/91/13/454709113.db2.gz DLTHOCRRQVUWSB-WOJBJXKFSA-N 1 1 335.451 3.351 50 0 EGAAMO C[NH+](C)CCNc1c2c(nc3ccc(Br)cc31)CCC2 ZINC000170622769 454943789 /nfs/dbraw/zinc/94/37/89/454943789.db2.gz WFEIMUGGUSSFNY-UHFFFAOYSA-N 1 1 334.261 3.460 50 0 EGAAMO CC[N@@H+](C)C1(CNC(=O)c2c(C)n(C)c3ccc(O)cc32)CCCC1 ZINC000252488524 455810309 /nfs/dbraw/zinc/81/03/09/455810309.db2.gz IUEUYORJAMDSNJ-UHFFFAOYSA-N 1 1 343.471 3.187 50 0 EGAAMO C[NH+]1CCN(C(=O)C[C@H](Cn2cccc2)c2ccc(Cl)cc2)CC1 ZINC000253410406 455840606 /nfs/dbraw/zinc/84/06/06/455840606.db2.gz NHDCILWNVCJCRS-QGZVFWFLSA-N 1 1 345.874 3.089 50 0 EGAAMO O=C(Cc1ccc(F)cc1)N1CC[C@@H]([N@H+]2CCc3ccccc3C2)C1 ZINC000225684597 456102650 /nfs/dbraw/zinc/10/26/50/456102650.db2.gz KEDAOHQDOUKPNP-HXUWFJFHSA-N 1 1 338.426 3.027 50 0 EGAAMO Cc1[nH+]cn(CC(=O)N2CCC[C@H]2c2nc3cc(C)ccc3[nH]2)c1C ZINC000299769863 456780064 /nfs/dbraw/zinc/78/00/64/456780064.db2.gz JNUQESUSTVLSEP-KRWDZBQOSA-N 1 1 337.427 3.048 50 0 EGAAMO Cc1[nH+]cn(CC(=O)N2CCC[C@H]2c2nc3ccc(C)cc3[nH]2)c1C ZINC000299769863 456780075 /nfs/dbraw/zinc/78/00/75/456780075.db2.gz JNUQESUSTVLSEP-KRWDZBQOSA-N 1 1 337.427 3.048 50 0 EGAAMO CN(CC[N@@H+](C)C1CCCC1)C(=O)c1conc1-c1ccccc1 ZINC000426398301 457820110 /nfs/dbraw/zinc/82/01/10/457820110.db2.gz ZZTJBVJTXATPFS-UHFFFAOYSA-N 1 1 327.428 3.288 50 0 EGAAMO CO[C@]12CC[N@@H+](Cc3ccc(C(C)C)cc3)[C@H]1C[C@H](OCCO)CC2 ZINC000426420411 457828401 /nfs/dbraw/zinc/82/84/01/457828401.db2.gz BVXJUJBDBXFKDS-QHAWAJNXSA-N 1 1 347.499 3.331 50 0 EGAAMO CC[N@H+]1CCCC[C@@H]1CNC(=O)N(C)Cc1cccc2cccnc21 ZINC000426493257 457842288 /nfs/dbraw/zinc/84/22/88/457842288.db2.gz SIUPQIUFFJFPKM-GOSISDBHSA-N 1 1 340.471 3.251 50 0 EGAAMO CO[C@]12CC[N@H+](Cc3nccs3)[C@H]1C[C@H](Oc1ccccn1)CC2 ZINC000426510036 457846062 /nfs/dbraw/zinc/84/60/62/457846062.db2.gz GZWJFFBVPSSCHU-RVKKMQEKSA-N 1 1 345.468 3.129 50 0 EGAAMO CO[C@]12CC[N@@H+](Cc3nccs3)[C@H]1C[C@H](Oc1ccccn1)CC2 ZINC000426510036 457846067 /nfs/dbraw/zinc/84/60/67/457846067.db2.gz GZWJFFBVPSSCHU-RVKKMQEKSA-N 1 1 345.468 3.129 50 0 EGAAMO CN(CCCSc1ccccc1)C(=O)NC[C@@H]1CCCC[N@H+]1C ZINC000426551103 457854618 /nfs/dbraw/zinc/85/46/18/457854618.db2.gz KXLQBBZYLMXWMP-INIZCTEOSA-N 1 1 335.517 3.295 50 0 EGAAMO CC[N@H+]1CC[C@H](NC(=O)N2CCC(Sc3ccc(C)cc3)CC2)C1 ZINC000584897115 459820751 /nfs/dbraw/zinc/82/07/51/459820751.db2.gz DVDYFLAXXSXFGJ-INIZCTEOSA-N 1 1 347.528 3.355 50 0 EGAAMO CC(=O)c1cc(C[NH+]2CCC(c3nnc4ccccn43)CC2)cs1 ZINC000215018322 534818478 /nfs/dbraw/zinc/81/84/78/534818478.db2.gz GNCAPFZFTODNMG-UHFFFAOYSA-N 1 1 340.452 3.373 50 0 EGAAMO C[C@H](C[N@H+]1CCc2ccccc2C1)NC(=O)c1cnc2c(c1)CCCC2 ZINC000670455897 548217783 /nfs/dbraw/zinc/21/77/83/548217783.db2.gz UWXQEBUBVGJKBU-MRXNPFEDSA-N 1 1 349.478 3.137 50 0 EGAAMO COc1ccc(C[NH2+]C2CCN(Cc3ccccc3)CC2)c(OC)c1 ZINC000010435309 1291113532 /nfs/dbraw/zinc/11/35/32/1291113532.db2.gz UKGQCOISFBCPQM-UHFFFAOYSA-N 1 1 340.467 3.458 50 0 EGAAMO CC(C)c1ccc(C[N@@H+]2CCC(=O)N(Cc3ccncc3)CC2)cc1 ZINC000012244895 1291130299 /nfs/dbraw/zinc/13/02/99/1291130299.db2.gz AHVXKNLRCRUPMX-UHFFFAOYSA-N 1 1 337.467 3.440 50 0 EGAAMO CCCC[N@@H+](C)[C@H]1CCc2c(c(C(=O)N3CCCCC3)nn2CC)C1 ZINC000014749383 1291143550 /nfs/dbraw/zinc/14/35/50/1291143550.db2.gz WGQIUGNOKJEGIZ-INIZCTEOSA-N 1 1 346.519 3.118 50 0 EGAAMO CCCN1CCC([NH+]2CCC(n3cc(C(C)(C)C)nn3)CC2)CC1 ZINC000048241174 1291598235 /nfs/dbraw/zinc/59/82/35/1291598235.db2.gz WJSBRISRNZYUSB-UHFFFAOYSA-N 1 1 333.524 3.087 50 0 EGAAMO CCC[NH+]1CCC(N2CCC(n3cc(C(C)(C)C)nn3)CC2)CC1 ZINC000048241174 1291598254 /nfs/dbraw/zinc/59/82/54/1291598254.db2.gz WJSBRISRNZYUSB-UHFFFAOYSA-N 1 1 333.524 3.087 50 0 EGAAMO CC(=O)c1cc(CC(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)cs1 ZINC000827855271 1292388939 /nfs/dbraw/zinc/38/89/39/1292388939.db2.gz QEDLFVPITMZBRX-HNNXBMFYSA-N 1 1 346.452 3.040 50 0 EGAAMO C[C@H](Oc1ccccc1F)C(=O)N[C@@H]1CC[N@@H+](Cc2ccsc2)C1 ZINC000618256571 1298099026 /nfs/dbraw/zinc/09/90/26/1298099026.db2.gz KAEBKFIOXHOQHY-DZGCQCFKSA-N 1 1 348.443 3.045 50 0 EGAAMO CC(C)Cn1cncc1C[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000821502249 1320018539 /nfs/dbraw/zinc/01/85/39/1320018539.db2.gz XUKGZSHWXTVIIP-UHFFFAOYSA-N 1 1 326.488 3.293 50 0 EGAAMO C[NH+](C)CC(=O)Nc1cccc(NC(=O)c2ccc(F)c(Cl)c2)c1 ZINC000823676200 1320197208 /nfs/dbraw/zinc/19/72/08/1320197208.db2.gz STSKQBUNYQUCND-UHFFFAOYSA-N 1 1 349.793 3.232 50 0 EGAAMO COc1ccccc1OCc1nnc(-c2cccc(C[NH+](C)C)c2)[nH]1 ZINC000824827629 1320289571 /nfs/dbraw/zinc/28/95/71/1320289571.db2.gz UANRCHXQKOEMMS-UHFFFAOYSA-N 1 1 338.411 3.121 50 0 EGAAMO CCCn1c(C)nc2cc(NC(=O)C[N@H+]3CCC[C@H](C)C3)ccc21 ZINC000952964145 1334625578 /nfs/dbraw/zinc/62/55/78/1334625578.db2.gz BOWNYHXBCWJEON-AWEZNQCLSA-N 1 1 328.460 3.425 50 0 EGAAMO Cc1ccc(N2CCC([N@H+]3CCc4n[nH]cc4C3)CC2)cc1Cl ZINC000952977419 1334628296 /nfs/dbraw/zinc/62/82/96/1334628296.db2.gz CIHKMFITEHPOND-UHFFFAOYSA-N 1 1 330.863 3.399 50 0 EGAAMO C[NH+](C)Cc1csc(CNCc2cnn(-c3cccc(F)c3)c2)c1 ZINC000952982435 1334629703 /nfs/dbraw/zinc/62/97/03/1334629703.db2.gz XDHQXSSVTQRXPJ-UHFFFAOYSA-N 1 1 344.459 3.424 50 0 EGAAMO Cc1ncc(CN(CCO)C(=O)[C@@H](c2ccc(Cl)cc2)C(C)C)[nH]1 ZINC001704314170 1416439699 /nfs/dbraw/zinc/43/96/99/1416439699.db2.gz QYEDWUNXNMZHKQ-QGZVFWFLSA-N 1 1 349.862 3.132 50 0 EGAAMO Nc1ncc2c(n1)[C@]1(CC2)CCC[N@@H+](Cc2cccc3[nH]ccc32)C1 ZINC001704325333 1416444669 /nfs/dbraw/zinc/44/46/69/1416444669.db2.gz LVQUOMTZPYXYBB-FQEVSTJZSA-N 1 1 333.439 3.020 50 0 EGAAMO C[N@H+]1CCC[C@]2(CO)CCN(Cc3cccc(Cl)c3Cl)C[C@@H]12 ZINC001704340644 1416448755 /nfs/dbraw/zinc/44/87/55/1416448755.db2.gz KXCIDQKEAQSZGM-NVXWUHKLSA-N 1 1 343.298 3.272 50 0 EGAAMO CC[C@@]1(O)CCC[C@@H]2C[N@@H+](Cc3ccc(-n4ccnc4)cc3)C[C@@H]21 ZINC001704342413 1416449442 /nfs/dbraw/zinc/44/94/42/1416449442.db2.gz BUCXTKFTKLYLIS-YZGWKJHDSA-N 1 1 325.456 3.245 50 0 EGAAMO CC(C)[N@H+]1CCN(Cc2ccc3c4c2cccc4C(=O)OC3)C[C@@H]1C ZINC001704356957 1416454622 /nfs/dbraw/zinc/45/46/22/1416454622.db2.gz AOICJFBDOQMFGZ-HNNXBMFYSA-N 1 1 338.451 3.425 50 0 EGAAMO CC(C)N1CC[N@H+](Cc2ccc3c4c2cccc4C(=O)OC3)C[C@@H]1C ZINC001704356957 1416454625 /nfs/dbraw/zinc/45/46/25/1416454625.db2.gz AOICJFBDOQMFGZ-HNNXBMFYSA-N 1 1 338.451 3.425 50 0 EGAAMO CC(C)N1CC[N@@H+](Cc2ccc3c4c2cccc4C(=O)OC3)C[C@@H]1C ZINC001704356957 1416454627 /nfs/dbraw/zinc/45/46/27/1416454627.db2.gz AOICJFBDOQMFGZ-HNNXBMFYSA-N 1 1 338.451 3.425 50 0 EGAAMO CCc1nc2ccc(NC(=O)NCCC34CCC[NH+]3CCC4)cc2[nH]1 ZINC000097655592 219044968 /nfs/dbraw/zinc/04/49/68/219044968.db2.gz TVHAZNWXVZCGOS-UHFFFAOYSA-N 1 1 341.459 3.265 50 0 EGAAMO Cc1ccc2c(c1)c(CNC[C@@H]1CCC[N@H+]3CCCC[C@H]13)nn2C ZINC000055107799 214273429 /nfs/dbraw/zinc/27/34/29/214273429.db2.gz WWJXIRFUHOIOGT-QFBILLFUSA-N 1 1 326.488 3.236 50 0 EGAAMO CC(=O)Oc1c(C)cc(C[N@H+]2CCC[C@@H]2Cn2cccn2)cc1C ZINC000055119173 214276770 /nfs/dbraw/zinc/27/67/70/214276770.db2.gz RHCZRWQRVHXXST-GOSISDBHSA-N 1 1 327.428 3.090 50 0 EGAAMO CNc1ncccc1C[N@@H+](Cc1ccc(F)cc1)C[C@@H]1CCCO1 ZINC000055340930 214308666 /nfs/dbraw/zinc/30/86/66/214308666.db2.gz MHJQMXJOXMBKCJ-SFHVURJKSA-N 1 1 329.419 3.444 50 0 EGAAMO CNc1ncccc1C[N@H+](Cc1ccc(F)cc1)C[C@@H]1CCCO1 ZINC000055340930 214308670 /nfs/dbraw/zinc/30/86/70/214308670.db2.gz MHJQMXJOXMBKCJ-SFHVURJKSA-N 1 1 329.419 3.444 50 0 EGAAMO Cc1cc(=O)oc2cc(C[N@H+](Cc3cnn(C)c3)CC(C)C)ccc12 ZINC000055568808 214330440 /nfs/dbraw/zinc/33/04/40/214330440.db2.gz JHBUGMHVMALELF-UHFFFAOYSA-N 1 1 339.439 3.493 50 0 EGAAMO CC1CCC2(CC1)[C@@H]1C(=O)N(c3ccccc3)C(=O)[C@H]1[C@H]1CCC[N@H+]12 ZINC000100195823 219094006 /nfs/dbraw/zinc/09/40/06/219094006.db2.gz CFLFEHOWXPFODO-FKLYKBMHSA-N 1 1 338.451 3.219 50 0 EGAAMO O=C1C[C@H]2CC[C@@H](CN1)[N@H+]2Cc1ccc(OCc2ccccc2)cc1 ZINC000065529099 214947611 /nfs/dbraw/zinc/94/76/11/214947611.db2.gz BENFBOFHWNPZEJ-MOPGFXCFSA-N 1 1 336.435 3.119 50 0 EGAAMO C[C@@H]1CNC(=O)CC[N@H+]1Cc1cnc(-c2cccc3ccccc32)nc1 ZINC000067725494 215196697 /nfs/dbraw/zinc/19/66/97/215196697.db2.gz KDJNEJMUZXHMOI-OAHLLOKOSA-N 1 1 346.434 3.007 50 0 EGAAMO O=C(NC[C@H]1CC[N@H+](Cc2nc3ccccc3[nH]2)C1)C1CCCCC1 ZINC000067804493 215216184 /nfs/dbraw/zinc/21/61/84/215216184.db2.gz YDIJLGDRYSCXAP-OAHLLOKOSA-N 1 1 340.471 3.081 50 0 EGAAMO O=C(NC[C@H]1CC[N@@H+](Cc2nc3ccccc3[nH]2)C1)C1CCCCC1 ZINC000067804493 215216186 /nfs/dbraw/zinc/21/61/86/215216186.db2.gz YDIJLGDRYSCXAP-OAHLLOKOSA-N 1 1 340.471 3.081 50 0 EGAAMO CC(=O)NC[C@@H]1CCC[N@@H+](Cc2c[nH]nc2-c2ccc(Cl)cc2)C1 ZINC000067834342 215224334 /nfs/dbraw/zinc/22/43/34/215224334.db2.gz PHFMCKHSXURPFO-AWEZNQCLSA-N 1 1 346.862 3.078 50 0 EGAAMO CCC[C@H]([NH3+])C(=O)N1CCC(c2[nH]ncc2-c2cccc(C)c2)CC1 ZINC000067881320 215238818 /nfs/dbraw/zinc/23/88/18/215238818.db2.gz NVFAOEQCKCDRET-SFHVURJKSA-N 1 1 340.471 3.219 50 0 EGAAMO CC(C)CN(C)C(=O)c1cc(C[N@@H+](C)CCc2ccccc2)on1 ZINC000067934267 215252636 /nfs/dbraw/zinc/25/26/36/215252636.db2.gz IABDLGXIKAVFIU-UHFFFAOYSA-N 1 1 329.444 3.077 50 0 EGAAMO CCNc1ncc(C[N@H+]2CCC[C@H](c3nc4ccccc4o3)C2)cn1 ZINC000067935055 215253310 /nfs/dbraw/zinc/25/33/10/215253310.db2.gz KLZSQJINRYHDGP-HNNXBMFYSA-N 1 1 337.427 3.429 50 0 EGAAMO O[C@@H]1C[N@@H+](Cc2ccccc2Cl)CC[C@H]1c1ccc2c(c1)OCO2 ZINC000067947877 215257219 /nfs/dbraw/zinc/25/72/19/215257219.db2.gz ZMMVGGQEULSNFN-DOTOQJQBSA-N 1 1 345.826 3.419 50 0 EGAAMO CCc1[nH]c2c(cc(C)cc2CNC(=O)[C@@H]2CCC[N@@H+](C)C2)c1C ZINC000071748476 215804823 /nfs/dbraw/zinc/80/48/23/215804823.db2.gz ADOUWFMUSRFYNU-OAHLLOKOSA-N 1 1 327.472 3.305 50 0 EGAAMO CCn1cc(CN2CCC[N@@H+](CCCc3ccccc3)CC2)cn1 ZINC000072144090 216031085 /nfs/dbraw/zinc/03/10/85/216031085.db2.gz ISJXEVKVOHZJPY-UHFFFAOYSA-N 1 1 326.488 3.044 50 0 EGAAMO C/C=C/CC(=O)N1C[C@@H](c2cc(F)cc(F)c2)[C@@H]2[C@H]1C1CC[NH+]2CC1 ZINC000072149691 216036165 /nfs/dbraw/zinc/03/61/65/216036165.db2.gz DVOKYDGWILDSQY-VSBZOQOFSA-N 1 1 346.421 3.320 50 0 EGAAMO c1cnc2ccc(C[C@@H]3CC[C@H](C[N@H+]4CCCOCC4)O3)cc2c1 ZINC000072436615 216232905 /nfs/dbraw/zinc/23/29/05/216232905.db2.gz LRBKLEZGJSIYGH-RBUKOAKNSA-N 1 1 326.440 3.047 50 0 EGAAMO Cn1ccc2ccc(CN3CC[NH+](CCOc4ccccc4)CC3)cc21 ZINC000072453603 216240593 /nfs/dbraw/zinc/24/05/93/216240593.db2.gz URRQTXHNQMGQGM-UHFFFAOYSA-N 1 1 349.478 3.375 50 0 EGAAMO Cc1cc2nc(C)cc(NCC[C@@H]3CCC[N@H+]4CCCC[C@H]34)n2n1 ZINC000072476956 216254509 /nfs/dbraw/zinc/25/45/09/216254509.db2.gz VXYXKLLBUDBPGC-DLBZAZTESA-N 1 1 327.476 3.413 50 0 EGAAMO O=C1NC[C@@]2(CCC[N@@H+](Cc3cnc(-c4ccccc4)s3)CC2)O1 ZINC000215850507 241150123 /nfs/dbraw/zinc/15/01/23/241150123.db2.gz MPDJEHVSCUGCAD-SFHVURJKSA-N 1 1 343.452 3.275 50 0 EGAAMO C[NH+]1CCN(Cc2cccc(C(=O)c3ccc(Cl)cc3)c2)CC1 ZINC000022028010 212271272 /nfs/dbraw/zinc/27/12/72/212271272.db2.gz FWPZHDNSTAWRHQ-UHFFFAOYSA-N 1 1 328.843 3.318 50 0 EGAAMO C[NH+]1CCN(Cc2ccc(C(=O)c3ccc(F)c(Cl)c3)cc2)CC1 ZINC000022027928 212270990 /nfs/dbraw/zinc/27/09/90/212270990.db2.gz KLJXYUBNZXVVDZ-UHFFFAOYSA-N 1 1 346.833 3.458 50 0 EGAAMO Cc1nc(N(C)C)cc(Nc2ccc(NC(=O)c3ccco3)cc2)[nH+]1 ZINC000021794111 212249699 /nfs/dbraw/zinc/24/96/99/212249699.db2.gz TVCLAVSBBQRSMN-UHFFFAOYSA-N 1 1 337.383 3.440 50 0 EGAAMO Cc1nc(Nc2ccc(NC(=O)c3ccco3)cc2)cc(N(C)C)[nH+]1 ZINC000021794111 212249701 /nfs/dbraw/zinc/24/97/01/212249701.db2.gz TVCLAVSBBQRSMN-UHFFFAOYSA-N 1 1 337.383 3.440 50 0 EGAAMO C[C@H](C(=O)NC1CCCC1)[N@H+](C)CCc1nc2cc(Cl)ccc2[nH]1 ZINC000244678771 243058275 /nfs/dbraw/zinc/05/82/75/243058275.db2.gz IJTRVCPOWBIJRX-GFCCVEGCSA-N 1 1 348.878 3.138 50 0 EGAAMO C[C@H](C(=O)NC1CCCC1)[N@@H+](C)CCc1nc2cc(Cl)ccc2[nH]1 ZINC000244678771 243058279 /nfs/dbraw/zinc/05/82/79/243058279.db2.gz IJTRVCPOWBIJRX-GFCCVEGCSA-N 1 1 348.878 3.138 50 0 EGAAMO Cc1ccc(C)c(NC(=O)CN2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000020668158 212160708 /nfs/dbraw/zinc/16/07/08/212160708.db2.gz FCPMAGOJBRBSSW-UHFFFAOYSA-N 1 1 337.467 3.060 50 0 EGAAMO Cc1ccc(CN2CC[N@@H+](CCCC3CCCC3)C[C@@H]2CCO)o1 ZINC000020449288 212129747 /nfs/dbraw/zinc/12/97/47/212129747.db2.gz AHEOHSPJOYHPTF-IBGZPJMESA-N 1 1 334.504 3.427 50 0 EGAAMO C/C=C/c1ccc(OCCOCC[NH+]2C[C@H](C)O[C@@H](C)C2)c(OC)c1 ZINC000020167050 212108562 /nfs/dbraw/zinc/10/85/62/212108562.db2.gz QZPNPMONMNIHHH-CSLAMCDYSA-N 1 1 349.471 3.233 50 0 EGAAMO COc1c(C)c[nH+]c(CN2CCC(NC(=O)OC(C)(C)C)CC2)c1C ZINC000019894261 212080870 /nfs/dbraw/zinc/08/08/70/212080870.db2.gz BXTFJQQJXZHDMC-UHFFFAOYSA-N 1 1 349.475 3.196 50 0 EGAAMO CCCCc1nc2cc(C(=O)NC[C@@]3(C)CC[N@@H+](C)C3)ccc2o1 ZINC000019838960 212073819 /nfs/dbraw/zinc/07/38/19/212073819.db2.gz WFQGFQGLJKBZPW-LJQANCHMSA-N 1 1 329.444 3.242 50 0 EGAAMO CSc1ccccc1C(=O)[C@@H]1CCC[N@H+](C2CCN(C)CC2)C1 ZINC000019795004 212069372 /nfs/dbraw/zinc/06/93/72/212069372.db2.gz OXKWGNVKKKORPQ-OAHLLOKOSA-N 1 1 332.513 3.397 50 0 EGAAMO CSc1ccccc1C(=O)[C@@H]1CCCN(C2CC[NH+](C)CC2)C1 ZINC000019795004 212069375 /nfs/dbraw/zinc/06/93/75/212069375.db2.gz OXKWGNVKKKORPQ-OAHLLOKOSA-N 1 1 332.513 3.397 50 0 EGAAMO COc1ccccc1C(=O)N1CC[NH+](Cc2c[nH]c3ccccc23)CC1 ZINC000019789287 212066326 /nfs/dbraw/zinc/06/63/26/212066326.db2.gz GEOFMWXECDHRMO-UHFFFAOYSA-N 1 1 349.434 3.135 50 0 EGAAMO COc1ccccc1NC(=O)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019571265 212044188 /nfs/dbraw/zinc/04/41/88/212044188.db2.gz ICOBEPUTAHCQIN-UHFFFAOYSA-N 1 1 325.412 3.045 50 0 EGAAMO S=C(Nc1ccccc1)N1CCC[N@@H+](CCc2ccncc2)CC1 ZINC000012325062 211347427 /nfs/dbraw/zinc/34/74/27/211347427.db2.gz NPNJUQBWSFKPEP-UHFFFAOYSA-N 1 1 340.496 3.029 50 0 EGAAMO Cc1c(C)n(Cc2cccnc2)c2nc[nH+]c(NCc3ccncc3)c12 ZINC000012321656 211346504 /nfs/dbraw/zinc/34/65/04/211346504.db2.gz IPDXJUGVHJFCQX-UHFFFAOYSA-N 1 1 344.422 3.499 50 0 EGAAMO O=C(NC[C@@H]1CCC[N@H+]2CCCC[C@H]12)c1ccc2ncsc2c1 ZINC000012297071 211335689 /nfs/dbraw/zinc/33/56/89/211335689.db2.gz SPOVTMHUVALQDJ-GOEBONIOSA-N 1 1 329.469 3.291 50 0 biogenic EGAAMO Cc1c[nH]c(C[N@H+]2CC[C@]3(C2)CCCN(CC2CCCCC2)C3=O)n1 ZINC000012300785 211337037 /nfs/dbraw/zinc/33/70/37/211337037.db2.gz RZJHNUADCAVEQP-FQEVSTJZSA-N 1 1 344.503 3.113 50 0 EGAAMO COc1ccc(-c2cc3c(c(OC)c2)OCC[N@@H+](CC(C)C)C3)nn1 ZINC000012209379 211322154 /nfs/dbraw/zinc/32/21/54/211322154.db2.gz MFXDLNNEFOKCOX-UHFFFAOYSA-N 1 1 343.427 3.011 50 0 EGAAMO C[C@H](CC[N@@H+]1CCC(=O)N(Cc2ccccn2)CC1)c1ccccc1 ZINC000012079211 211287721 /nfs/dbraw/zinc/28/77/21/211287721.db2.gz GATYQQBRTAZIJD-GOSISDBHSA-N 1 1 337.467 3.310 50 0 EGAAMO Cc1c2cccc(C)c2n(C)c1C(=O)N1CC([N@@H+]2CCCC[C@H]2C)C1 ZINC000091390993 218000284 /nfs/dbraw/zinc/00/02/84/218000284.db2.gz BLDFRJGEPZDAGC-OAHLLOKOSA-N 1 1 339.483 3.494 50 0 EGAAMO c1cc(C[N@H+]2CCC[C@@H](Nc3ccccc3)C2)n(-c2ncccn2)c1 ZINC000011820729 211251897 /nfs/dbraw/zinc/25/18/97/211251897.db2.gz RIUXEURSCNFYEC-GOSISDBHSA-N 1 1 333.439 3.344 50 0 EGAAMO Cc1ncnc(N2CCC[C@@H](c3[nH+]ccn3Cc3ccccn3)C2)c1C ZINC000091562839 218022432 /nfs/dbraw/zinc/02/24/32/218022432.db2.gz KAPCBNAQKQATHN-QGZVFWFLSA-N 1 1 348.454 3.117 50 0 EGAAMO Fc1cnccc1N1CCC(c2[nH+]ccn2Cc2cccnc2)CC1 ZINC000091586492 218025685 /nfs/dbraw/zinc/02/56/85/218025685.db2.gz QQODKFNOGZBKOY-UHFFFAOYSA-N 1 1 337.402 3.245 50 0 EGAAMO Cc1cc(Cl)ccc1C(=O)[C@@H]1CCC[N@@H+](Cc2cnn(C)c2)C1 ZINC000011841371 211253369 /nfs/dbraw/zinc/25/33/69/211253369.db2.gz RPGRVNMOFONXLP-OAHLLOKOSA-N 1 1 331.847 3.477 50 0 EGAAMO Cc1cc(Cl)ccc1C(=O)[C@@H]1CCC[N@H+](Cc2cnn(C)c2)C1 ZINC000011841371 211253375 /nfs/dbraw/zinc/25/33/75/211253375.db2.gz RPGRVNMOFONXLP-OAHLLOKOSA-N 1 1 331.847 3.477 50 0 EGAAMO O=C(c1ccc(F)c(Cl)c1)N1C[C@H]2CC[C@H](C[N@@H+]2CC2CC2)C1 ZINC000091695554 218049914 /nfs/dbraw/zinc/04/99/14/218049914.db2.gz DCENXKJMPDQJCN-UKRRQHHQSA-N 1 1 336.838 3.426 50 0 EGAAMO C[C@@H]1C[N@@H+](Cc2ccc(Cl)s2)CC[C@@]1(O)C1CCOCC1 ZINC000091662961 218041940 /nfs/dbraw/zinc/04/19/40/218041940.db2.gz SDWDMKURNKREAB-WBMJQRKESA-N 1 1 329.893 3.401 50 0 EGAAMO COc1ccc2cc(C[N@H+]3C[C@H]4CC[C@@H]3CN(C(C)=O)C4)ccc2c1 ZINC000091817952 218070427 /nfs/dbraw/zinc/07/04/27/218070427.db2.gz RQEBSWRVJLXURK-FXAWDEMLSA-N 1 1 338.451 3.291 50 0 EGAAMO CC(C)(C)c1cc(C[N@H+]2CC[C@@H](Cc3ccc(CO)cc3)C2)[nH]n1 ZINC000091943843 218092251 /nfs/dbraw/zinc/09/22/51/218092251.db2.gz WWSOKTNCHJVRTB-KRWDZBQOSA-N 1 1 327.472 3.264 50 0 EGAAMO Cc1nc[nH]c1C[N@H+]1CCC[C@@](C)(Cc2ccc3c(c2)OCO3)C1 ZINC000091985597 218098137 /nfs/dbraw/zinc/09/81/37/218098137.db2.gz BMWQSDYCCBCQLH-IBGZPJMESA-N 1 1 327.428 3.292 50 0 EGAAMO COCC[C@]1(O)CC[N@@H+](Cc2cc(C(C)C)ccc2OC)C[C@H]1C ZINC000091986298 218098978 /nfs/dbraw/zinc/09/89/78/218098978.db2.gz FELCLGVGRFEMOT-OXQOHEQNSA-N 1 1 335.488 3.428 50 0 EGAAMO CC(C)n1ccnc1[C@@H]1CCC[N@@H+](CC(=O)N2CCCCCC2)C1 ZINC000095357917 218291895 /nfs/dbraw/zinc/29/18/95/218291895.db2.gz BIERJTLXYFKSPV-QGZVFWFLSA-N 1 1 332.492 3.046 50 0 EGAAMO C[N@H+]1CCCC[C@@H]1CCC(=O)NCc1cc(-c2cccc(F)c2)no1 ZINC000095369653 218303216 /nfs/dbraw/zinc/30/32/16/218303216.db2.gz UBRZGUKQVYKWCV-MRXNPFEDSA-N 1 1 345.418 3.361 50 0 EGAAMO CC(C)c1[nH+]ccn1[C@H](C)C(=O)N1CCC(c2ccncc2)CC1 ZINC000095380058 218312316 /nfs/dbraw/zinc/31/23/16/218312316.db2.gz LALGCLFWRBKTIC-OAHLLOKOSA-N 1 1 326.444 3.369 50 0 EGAAMO C[NH+](C)[C@@H](C(=O)N(Cc1nccs1)C1CC1)c1ccc(F)cc1 ZINC000095391280 218322193 /nfs/dbraw/zinc/32/21/93/218322193.db2.gz BWIFXRFRCBNWIT-MRXNPFEDSA-N 1 1 333.432 3.076 50 0 EGAAMO CC[C@@H](C)[C@H]([NH3+])c1nnc(SCC(=O)Nc2cccc(C)c2C)o1 ZINC000005100117 210389892 /nfs/dbraw/zinc/38/98/92/210389892.db2.gz FRORKUJUIXITQV-BMIGLBTASA-N 1 1 348.472 3.463 50 0 EGAAMO O=C(c1ccccc1F)N1CC[NH+](CCCc2ccccc2)CC1 ZINC000005022459 210365830 /nfs/dbraw/zinc/36/58/30/210365830.db2.gz RIWYPOGRYLFRNP-UHFFFAOYSA-N 1 1 326.415 3.216 50 0 EGAAMO CCOc1ccc2nc(C[NH+]3CCC(c4nc[nH]n4)CC3)ccc2c1 ZINC000097492465 219029936 /nfs/dbraw/zinc/02/99/36/219029936.db2.gz NTVOJNODRBHNJV-UHFFFAOYSA-N 1 1 337.427 3.131 50 0 EGAAMO c1ccc([C@@H]2C[C@H](c3noc(-c4cncnc4)n3)[C@H]3CCC[N@@H+]32)cc1 ZINC000299755341 258074073 /nfs/dbraw/zinc/07/40/73/258074073.db2.gz AKMPGKMEWXQGCW-BBWFWOEESA-N 1 1 333.395 3.220 50 0 EGAAMO Cc1ccc(N2C(=O)C[C@H]([N@H+]3CCC[C@@H]4CCCC[C@H]43)C2=O)cc1 ZINC000229897448 292126917 /nfs/dbraw/zinc/12/69/17/292126917.db2.gz NZUUPLWSKJXMDC-JQHSSLGASA-N 1 1 326.440 3.282 50 0 EGAAMO O=C1[C@@H]2C[C@@H](C[N@@H+]2C2Cc3ccccc3C2)N1c1ccccc1Cl ZINC000015002970 275028575 /nfs/dbraw/zinc/02/85/75/275028575.db2.gz UAKQINJSTFGATJ-LPHOPBHVSA-N 1 1 338.838 3.297 50 0 EGAAMO O=C1[C@@H]2C[C@@H](C[N@H+]2C2Cc3ccccc3C2)N1c1ccccc1Cl ZINC000015002970 275028576 /nfs/dbraw/zinc/02/85/76/275028576.db2.gz UAKQINJSTFGATJ-LPHOPBHVSA-N 1 1 338.838 3.297 50 0 EGAAMO Cc1nc(C[N@H+]2CCC[C@@]3(CCC(=O)N(CCC(C)C)C3)C2)co1 ZINC000077405975 279082946 /nfs/dbraw/zinc/08/29/46/279082946.db2.gz ODVDGKGBPSGIGS-LJQANCHMSA-N 1 1 333.476 3.234 50 0 EGAAMO Cc1nc(C[N@@H+]2CCC[C@@]3(CCC(=O)N(CCC(C)C)C3)C2)co1 ZINC000077405975 279082948 /nfs/dbraw/zinc/08/29/48/279082948.db2.gz ODVDGKGBPSGIGS-LJQANCHMSA-N 1 1 333.476 3.234 50 0 EGAAMO CCOC(=O)c1[nH]c2ccc(C)cc2c1NC(=O)C[NH+]1CCCCC1 ZINC000000294027 452556807 /nfs/dbraw/zinc/55/68/07/452556807.db2.gz YWVAERXDTBIOCB-UHFFFAOYSA-N 1 1 343.427 3.077 50 0 EGAAMO C[C@@H]1C[C@](O)(CC(O)(c2ccccc2)c2ccccc2)[C@H](C)C[N@H+]1C ZINC000004474068 452804555 /nfs/dbraw/zinc/80/45/55/452804555.db2.gz RICXMDIFJNHTOE-OPYAIIAOSA-N 1 1 339.479 3.404 50 0 EGAAMO COc1ccc([C@@H]2C3=C([NH+]=C4N=CNN42)c2cc(C)ccc2OC3)cc1 ZINC000005576068 452886198 /nfs/dbraw/zinc/88/61/98/452886198.db2.gz DINGBBOOUHIWKV-LJQANCHMSA-N 1 1 346.390 3.067 50 0 EGAAMO Cc1cc(OCC(=O)NC[C@@H](c2ccco2)[NH+](C)C)ccc1Cl ZINC000007406427 453071159 /nfs/dbraw/zinc/07/11/59/453071159.db2.gz OMGGVPFSINIGPE-HNNXBMFYSA-N 1 1 336.819 3.039 50 0 EGAAMO C1=CC[C@@H](C[N@H+]2CCOc3ccc(CN4CCOCC4)cc3C2)CC1 ZINC000014992939 453550761 /nfs/dbraw/zinc/55/07/61/453550761.db2.gz ZSPADRMKCPSSEA-GOSISDBHSA-N 1 1 342.483 3.070 50 0 EGAAMO COc1cccc(CN2CC[N@@H+](Cc3ccc(C)s3)CCC2=O)c1 ZINC000014989740 453551056 /nfs/dbraw/zinc/55/10/56/453551056.db2.gz ADGQSXZUQXQOHB-UHFFFAOYSA-N 1 1 344.480 3.300 50 0 EGAAMO CC[N@H+]1CCC[C@H](NC(=O)N(C)Cc2cccc(C(F)(F)F)c2)C1 ZINC000052593779 453839004 /nfs/dbraw/zinc/83/90/04/453839004.db2.gz OSENQFCTCDGKOZ-HNNXBMFYSA-N 1 1 343.393 3.331 50 0 EGAAMO COc1cccc2c1ncn(CC[C@H]1CCCC[N@H+]1C(C)C)c2=O ZINC000032540616 453877679 /nfs/dbraw/zinc/87/76/79/453877679.db2.gz YDCYHRWRRJFSBX-OAHLLOKOSA-N 1 1 329.444 3.058 50 0 EGAAMO CCCCOC(=O)NCc1cc2n(n1)CCC[N@H+](C1CCCCC1)C2 ZINC000082120213 453925516 /nfs/dbraw/zinc/92/55/16/453925516.db2.gz UHMUYRTWUBMJAI-UHFFFAOYSA-N 1 1 348.491 3.448 50 0 EGAAMO O=C(CCCc1ccccc1)N1CCC[N@H+](Cc2ccncc2)CC1 ZINC000077287065 454085482 /nfs/dbraw/zinc/08/54/82/454085482.db2.gz JMVQXDWXLLEDIF-UHFFFAOYSA-N 1 1 337.467 3.139 50 0 EGAAMO O=C(CCCc1ccccc1)N1CCC[N@@H+](Cc2ccncc2)CC1 ZINC000077287065 454085485 /nfs/dbraw/zinc/08/54/85/454085485.db2.gz JMVQXDWXLLEDIF-UHFFFAOYSA-N 1 1 337.467 3.139 50 0 EGAAMO Cc1[nH+]ccn1CC[C@@H]1CCCCN1C(=O)c1ccc(C)cc1O ZINC000077356186 454096407 /nfs/dbraw/zinc/09/64/07/454096407.db2.gz ZHUPYGYTSBKBPO-INIZCTEOSA-N 1 1 327.428 3.291 50 0 EGAAMO COCOCc1ccccc1[C@]1(O)CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000095080279 454194667 /nfs/dbraw/zinc/19/46/67/454194667.db2.gz ICWWTOIOUJQNDU-LEWJYISDSA-N 1 1 341.451 3.114 50 0 EGAAMO CC1(C(=O)N2C[C@@H](c3cccc(F)c3F)[C@@H]3[C@H]2C2CC[NH+]3CC2)CC1 ZINC000071388522 454206123 /nfs/dbraw/zinc/20/61/23/454206123.db2.gz NPSIJOOYIREHJA-BMGDILEWSA-N 1 1 346.421 3.154 50 0 EGAAMO OCCOc1ccc(C[N@@H+]2CCO[C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC000071422356 454207607 /nfs/dbraw/zinc/20/76/07/454207607.db2.gz BFAOBACWOVAIKK-LJQANCHMSA-N 1 1 347.842 3.285 50 0 EGAAMO OCCOc1ccc(C[N@H+]2CCO[C@@H](c3ccc(Cl)cc3)C2)cc1 ZINC000071422356 454207611 /nfs/dbraw/zinc/20/76/11/454207611.db2.gz BFAOBACWOVAIKK-LJQANCHMSA-N 1 1 347.842 3.285 50 0 EGAAMO COc1ccc(-c2nc(C[N@H+]3CCC[C@H](OC)C3)c(C)o2)c(F)c1 ZINC000071721487 454211761 /nfs/dbraw/zinc/21/17/61/454211761.db2.gz OHJSDAYZNGZRPB-AWEZNQCLSA-N 1 1 334.391 3.409 50 0 EGAAMO COc1ccc(-c2nc(C[N@@H+]3CCC[C@H](OC)C3)c(C)o2)c(F)c1 ZINC000071721487 454211764 /nfs/dbraw/zinc/21/17/64/454211764.db2.gz OHJSDAYZNGZRPB-AWEZNQCLSA-N 1 1 334.391 3.409 50 0 EGAAMO COC[C@H]1CC[N@@H+](Cc2nc(-c3cc(OC)ccc3F)oc2C)C1 ZINC000071749859 454212607 /nfs/dbraw/zinc/21/26/07/454212607.db2.gz TWEGASCIFCVTGQ-ZDUSSCGKSA-N 1 1 334.391 3.266 50 0 EGAAMO CCc1[nH+]ccn1CC(=O)N1CCC[C@@H](CCc2ccc(F)cc2)C1 ZINC000071753193 454214335 /nfs/dbraw/zinc/21/43/35/454214335.db2.gz CHCSGPNEFKLXKG-KRWDZBQOSA-N 1 1 343.446 3.456 50 0 EGAAMO CCc1[nH+]ccn1CC(=O)N1CCC[C@@H](CCc2ccccc2F)C1 ZINC000071754053 454214832 /nfs/dbraw/zinc/21/48/32/454214832.db2.gz PDAPYBHUJAGQSP-INIZCTEOSA-N 1 1 343.446 3.456 50 0 EGAAMO Cc1cc(C)nc(CN(C)C(=O)[C@@H](c2ccccc2C)[NH+](C)C)c1 ZINC000095510980 454224876 /nfs/dbraw/zinc/22/48/76/454224876.db2.gz JMTDUPJSWNPVTO-LJQANCHMSA-N 1 1 325.456 3.268 50 0 EGAAMO Cc1ccc(OC[C@@H]2CCC[N@@H+](Cc3cnc4nccn4c3)C2)cc1 ZINC000063846905 454454032 /nfs/dbraw/zinc/45/40/32/454454032.db2.gz WCNNZJASQBPYIH-QGZVFWFLSA-N 1 1 336.439 3.329 50 0 EGAAMO CCCc1nc(C(=O)N[C@@H](C)C[N@H+]2CCc3ccccc3C2)cs1 ZINC000092081667 454519405 /nfs/dbraw/zinc/51/94/05/454519405.db2.gz GBAREUWYHLTBIJ-AWEZNQCLSA-N 1 1 343.496 3.272 50 0 EGAAMO CC[C@H](O)C[N@@H+]1CC=C(c2cnn(Cc3cccc(C)c3)c2)CC1 ZINC000065492439 454577402 /nfs/dbraw/zinc/57/74/02/454577402.db2.gz NKTZQUPCBHLQLN-FQEVSTJZSA-N 1 1 325.456 3.100 50 0 EGAAMO CC(C)(C)C[N@H+]1CCN(C/C=C/c2ccc(F)cc2)C[C@H]1CCO ZINC000105275926 454632722 /nfs/dbraw/zinc/63/27/22/454632722.db2.gz QFBDTFMRZFZTRC-VZSQWMKGSA-N 1 1 334.479 3.254 50 0 EGAAMO Cc1nc(CN2CCC[N@@H+](Cc3ccc(F)cc3)[C@@H](C(C)C)C2)no1 ZINC000107028222 454737967 /nfs/dbraw/zinc/73/79/67/454737967.db2.gz MKGDNCZHVAJTKE-GOSISDBHSA-N 1 1 346.450 3.250 50 0 EGAAMO COc1ccc(NC(=O)C[N@@H+](C)C2CCSCC2)cc1Cl ZINC000252495966 455814384 /nfs/dbraw/zinc/81/43/84/455814384.db2.gz PDVYVDQZCASXLN-UHFFFAOYSA-N 1 1 328.865 3.115 50 0 EGAAMO CSc1ncc(CN2CCC[N@@H+](Cc3ccccc3F)CC2)cn1 ZINC000223326300 456054924 /nfs/dbraw/zinc/05/49/24/456054924.db2.gz NHKMWXXFRQAIQJ-UHFFFAOYSA-N 1 1 346.475 3.046 50 0 EGAAMO O=C(C[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1)N1CCC[C@@H]1c1cccs1 ZINC000229219959 456127863 /nfs/dbraw/zinc/12/78/63/456127863.db2.gz HESIWDKYGNSPGV-GDBMZVCRSA-N 1 1 344.484 3.014 50 0 EGAAMO O=C(C[N@H+]1CCC[C@@H](c2cc[nH]n2)C1)N1CCC[C@@H]1c1cccs1 ZINC000229219959 456127868 /nfs/dbraw/zinc/12/78/68/456127868.db2.gz HESIWDKYGNSPGV-GDBMZVCRSA-N 1 1 344.484 3.014 50 0 EGAAMO CC[N@H+]1CCC[C@H]1CNC(=O)N(Cc1ccccn1)C1CCCCC1 ZINC000426740437 457890123 /nfs/dbraw/zinc/89/01/23/457890123.db2.gz JEIPYRSPZPWCOC-IBGZPJMESA-N 1 1 344.503 3.410 50 0 EGAAMO C[C@H](O)c1cccc(N2CCC[N@@H+](CCCc3ccccc3)CC2)n1 ZINC000095508900 525858969 /nfs/dbraw/zinc/85/89/69/525858969.db2.gz PEOOWHNEHHTOAK-SFHVURJKSA-N 1 1 339.483 3.280 50 0 EGAAMO CC[N@H+]1CCC[C@H]1CNC(=O)Nc1ccc(Oc2cccnc2)cc1 ZINC000244794604 535600390 /nfs/dbraw/zinc/60/03/90/535600390.db2.gz QQAIDMLTNOQLIU-INIZCTEOSA-N 1 1 340.427 3.480 50 0 EGAAMO Cc1cc(C)n(C2CN(C(=O)c3cccc(-c4[nH+]c(C)[nH]c4C)c3)C2)n1 ZINC000584888327 548098928 /nfs/dbraw/zinc/09/89/28/548098928.db2.gz IFQGWBNXHJBYBN-UHFFFAOYSA-N 1 1 349.438 3.204 50 0 EGAAMO COCCn1ccnc1C[N@@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000670438036 548215687 /nfs/dbraw/zinc/21/56/87/548215687.db2.gz NWVQTWHPVAWUOS-HNNXBMFYSA-N 1 1 340.427 3.050 50 0 EGAAMO COCCn1ccnc1C[N@H+]1CCC[C@H](c2nc3ccccc3o2)C1 ZINC000670438036 548215689 /nfs/dbraw/zinc/21/56/89/548215689.db2.gz NWVQTWHPVAWUOS-HNNXBMFYSA-N 1 1 340.427 3.050 50 0 EGAAMO COCCN1CCC[C@@]2(CC[N@@H+](Cc3ccc(C(C)C)cc3)C2)C1=O ZINC000012302058 1291132139 /nfs/dbraw/zinc/13/21/39/1291132139.db2.gz VCQLLEXTCDDULZ-NRFANRHFSA-N 1 1 344.499 3.271 50 0 EGAAMO CC[C@H](c1[nH]nc2c1CN(C1CC[NH+](C)CC1)CC2)c1ccccc1 ZINC000020683179 1291194845 /nfs/dbraw/zinc/19/48/45/1291194845.db2.gz PEGKVJJWKFXHEQ-SFHVURJKSA-N 1 1 338.499 3.404 50 0 EGAAMO Cc1ccc2nc(CNC(=O)c3ccc([C@H]4CCC[NH2+]4)s3)[nH]c2c1 ZINC000023543371 1291237449 /nfs/dbraw/zinc/23/74/49/1291237449.db2.gz VJPLBDWTAWOBQT-CYBMUJFWSA-N 1 1 340.452 3.287 50 0 EGAAMO CC(C)(C)c1cc(C[N@H+]2CCC[C@@]3(C2)c2ccccc2NC3=O)[nH]n1 ZINC000072140086 1292276137 /nfs/dbraw/zinc/27/61/37/1292276137.db2.gz LQZLHWZNWNSLSA-HXUWFJFHSA-N 1 1 338.455 3.193 50 0 EGAAMO Cc1ccc(C)c(CC(=O)NC[C@H]2CCC[N@@H+](Cc3ccoc3)C2)c1 ZINC000827848264 1292386974 /nfs/dbraw/zinc/38/69/74/1292386974.db2.gz ABHWLLOQQOLTNB-GOSISDBHSA-N 1 1 340.467 3.467 50 0 EGAAMO O=C(C[C@H]1C=CCC1)Nc1ccc(NC(=O)C[NH+]2CCCCC2)cc1 ZINC000828052323 1292423907 /nfs/dbraw/zinc/42/39/07/1292423907.db2.gz TYWNBUJIDIDAOD-INIZCTEOSA-N 1 1 341.455 3.406 50 0 EGAAMO O=C(N[C@H]1CCC[N@@H+](Cc2cccs2)C1)c1cccn1C1CC1 ZINC000828185456 1292439699 /nfs/dbraw/zinc/43/96/99/1292439699.db2.gz WEZAXEPTGDCRPJ-AWEZNQCLSA-N 1 1 329.469 3.279 50 0 EGAAMO O=C(CCc1ccccc1F)N[C@@H]1CC[N@@H+](Cc2ccsc2)C1 ZINC000618256996 1298099964 /nfs/dbraw/zinc/09/99/64/1298099964.db2.gz OGAWOMWCBFOHBX-MRXNPFEDSA-N 1 1 332.444 3.211 50 0 EGAAMO COCC[N@H+]1CCC[C@H](c2nc(C)nn2Cc2ccc(Cl)cc2)C1 ZINC000824413146 1320255171 /nfs/dbraw/zinc/25/51/71/1320255171.db2.gz KCWHMUZVYNHNTI-INIZCTEOSA-N 1 1 348.878 3.114 50 0 EGAAMO COCC[N@H+]1CC[C@@H](CN(C)c2nc(-c3ccc(F)cc3)cs2)C1 ZINC001704312590 1416439001 /nfs/dbraw/zinc/43/90/01/1416439001.db2.gz GEHWZHHUNDLANR-AWEZNQCLSA-N 1 1 349.475 3.354 50 0 EGAAMO C[N@H+]1CCC[C@]2(CO)CCN(Cc3[nH]c4ccccc4c3Cl)C[C@@H]12 ZINC001704345294 1416450407 /nfs/dbraw/zinc/45/04/07/1416450407.db2.gz WQNSQCZASOFOOE-IEBWSBKVSA-N 1 1 347.890 3.100 50 0 EGAAMO Cc1cnc(NCC[C@H]2CCCC[N@H+]2C2CCCC2)nc1N(C)C ZINC001704353371 1416453752 /nfs/dbraw/zinc/45/37/52/1416453752.db2.gz UWYWWUFBIUTGQP-QGZVFWFLSA-N 1 1 331.508 3.450 50 0 EGAAMO CC/C=C(/C[N@H+]1CCCN(C(=O)[C@H]2CCCO2)CC1)c1ccccc1 ZINC001772805514 1441417363 /nfs/dbraw/zinc/41/73/63/1441417363.db2.gz MLHZYZDETVMKCS-YBJHTRLMSA-N 1 1 342.483 3.193 50 0 EGAAMO CC(C)N1C[C@@H](C[N@@H+](C)Cc2nc3c(s2)CCCC3)CCC1=O ZINC001772804147 1441417369 /nfs/dbraw/zinc/41/73/69/1441417369.db2.gz HRVJUFJJCRSZIB-CQSZACIVSA-N 1 1 335.517 3.101 50 0 EGAAMO CC[C@H](CO)[N@@H+](Cc1ccsc1)Cc1cccn1-c1ncccn1 ZINC000055042646 214266870 /nfs/dbraw/zinc/26/68/70/214266870.db2.gz LBTPMLBKNBNAMM-MRXNPFEDSA-N 1 1 342.468 3.102 50 0 EGAAMO O=C(c1ccc(F)cc1Cl)N1CC[NH+](CCc2ccccc2)CC1 ZINC000055070046 214269469 /nfs/dbraw/zinc/26/94/69/214269469.db2.gz QMDJEZXETBTZRR-UHFFFAOYSA-N 1 1 346.833 3.480 50 0 EGAAMO CCCC(=O)Nc1cccc(C(=O)N[C@H]2CCC[N@H+](CCC)C2)c1 ZINC000055107745 214273521 /nfs/dbraw/zinc/27/35/21/214273521.db2.gz NJDUYWHDDLSVLE-KRWDZBQOSA-N 1 1 331.460 3.029 50 0 EGAAMO Cc1nn(C)c(C)c1C[N@@H+](Cc1ccc2c(c1)OCCO2)C(C)C ZINC000055154439 214280175 /nfs/dbraw/zinc/28/01/75/214280175.db2.gz RNHAABCMFWXGLN-UHFFFAOYSA-N 1 1 329.444 3.219 50 0 EGAAMO CC[C@@H](C)[N@@H+](Cc1ccsc1)Cc1ccccc1OCC(N)=O ZINC000055371413 214314183 /nfs/dbraw/zinc/31/41/83/214314183.db2.gz GJTRELFZWYNCRV-CQSZACIVSA-N 1 1 332.469 3.413 50 0 EGAAMO C[C@@H]1C[C@H](C)C[N@H+](C[C@H](O)COCCOc2ccc(Cl)cc2)C1 ZINC000004279085 210160105 /nfs/dbraw/zinc/16/01/05/210160105.db2.gz BEXFKBNLQVOIOG-UXLLHSPISA-N 1 1 341.879 3.074 50 0 EGAAMO C[N@H+](CC(=O)[O-])[C@H]1CCC[NH+]([C@@H]2CCc3c2cccc3Cl)CC1 ZINC000263574764 282361146 /nfs/dbraw/zinc/36/11/46/282361146.db2.gz NXMQOLPHYWKHMD-SUMWQHHRSA-N 1 1 336.863 3.198 50 0 EGAAMO C[N@@H+](CC(=O)[O-])[C@H]1CCC[NH+]([C@@H]2CCc3c2cccc3Cl)CC1 ZINC000263574764 282361149 /nfs/dbraw/zinc/36/11/49/282361149.db2.gz NXMQOLPHYWKHMD-SUMWQHHRSA-N 1 1 336.863 3.198 50 0 EGAAMO C[NH+](CC(=O)[O-])[C@H]1CCC[N@@H+]([C@@H]2CCc3c2cccc3Cl)CC1 ZINC000263574764 282361151 /nfs/dbraw/zinc/36/11/51/282361151.db2.gz NXMQOLPHYWKHMD-SUMWQHHRSA-N 1 1 336.863 3.198 50 0 EGAAMO C[NH+](CC(=O)[O-])[C@H]1CCC[N@H+]([C@@H]2CCc3c2cccc3Cl)CC1 ZINC000263574764 282361154 /nfs/dbraw/zinc/36/11/54/282361154.db2.gz NXMQOLPHYWKHMD-SUMWQHHRSA-N 1 1 336.863 3.198 50 0 EGAAMO NC(=O)c1cccnc1Oc1cc(F)c(C[NH+]2CCCC2)c(Cl)c1 ZINC000067514292 215157840 /nfs/dbraw/zinc/15/78/40/215157840.db2.gz GDJAAJNPXZXUSK-UHFFFAOYSA-N 1 1 349.793 3.361 50 0 EGAAMO COc1ccc2c(C)nc(N(C)CC[N@H+]3CCCC[C@@H]3C)nc2c1 ZINC000067713855 215193954 /nfs/dbraw/zinc/19/39/54/215193954.db2.gz CZWRVDMRYGEXBS-AWEZNQCLSA-N 1 1 328.460 3.257 50 0 EGAAMO CC[C@H](C(=O)Nc1cc(C2=CCC[N@@H+](C)C2)nn1C)c1ccccc1 ZINC000067740469 215199273 /nfs/dbraw/zinc/19/92/73/215199273.db2.gz WHIBAKNLKWMORD-KRWDZBQOSA-N 1 1 338.455 3.271 50 0 EGAAMO CCC[N@@H+]1CCc2nc[nH]c2[C@H]1c1c[nH]nc1-c1ccc(OC)cc1 ZINC000067804373 215217121 /nfs/dbraw/zinc/21/71/21/215217121.db2.gz XXTBTXIVRUQVIF-LJQANCHMSA-N 1 1 337.427 3.166 50 0 EGAAMO CCC[N@H+]1CCc2nc[nH]c2[C@H]1c1c[nH]nc1-c1ccc(OC)cc1 ZINC000067804373 215217123 /nfs/dbraw/zinc/21/71/23/215217123.db2.gz XXTBTXIVRUQVIF-LJQANCHMSA-N 1 1 337.427 3.166 50 0 EGAAMO Cc1ccc(C[N@H+]2CC[C@H](CNC(=O)CC(F)(F)F)C2)cc1F ZINC000067840127 215225570 /nfs/dbraw/zinc/22/55/70/215225570.db2.gz INZNAVOBVWEUKD-CYBMUJFWSA-N 1 1 332.341 3.025 50 0 EGAAMO OCCC[N@@H+]1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 ZINC000067894059 215241923 /nfs/dbraw/zinc/24/19/23/215241923.db2.gz XYUWVIAVRMWVFF-UHFFFAOYSA-N 1 1 333.815 3.289 50 0 EGAAMO OCCC[N@H+]1CCOc2c(O)cc(-c3cccc(Cl)c3)cc2C1 ZINC000067894059 215241926 /nfs/dbraw/zinc/24/19/26/215241926.db2.gz XYUWVIAVRMWVFF-UHFFFAOYSA-N 1 1 333.815 3.289 50 0 EGAAMO O=C(NCC[C@@H]1CCC[N@@H+](Cc2ccco2)C1)c1cccc(O)c1 ZINC000067935087 215253342 /nfs/dbraw/zinc/25/33/42/215253342.db2.gz GUNCJZSDYUBCRN-HNNXBMFYSA-N 1 1 328.412 3.017 50 0 EGAAMO COc1ccccc1-c1cccc(C(=O)NC[C@H]2CCC[N@@H+](C)C2)c1 ZINC000067975321 215265087 /nfs/dbraw/zinc/26/50/87/215265087.db2.gz FFZYDWPIVXOHLG-MRXNPFEDSA-N 1 1 338.451 3.434 50 0 EGAAMO CCCc1cc(N2CCC(Cn3cc[nH+]c3C)CC2)n2nccc2n1 ZINC000072151605 216040117 /nfs/dbraw/zinc/04/01/17/216040117.db2.gz UKAMCGMQLBKRDY-UHFFFAOYSA-N 1 1 338.459 3.103 50 0 EGAAMO Cc1nc(C[NH+]2CCC(OCc3cccnc3)CC2)c2ccccn12 ZINC000072151954 216040368 /nfs/dbraw/zinc/04/03/68/216040368.db2.gz RWKKVAJPBVQILL-UHFFFAOYSA-N 1 1 336.439 3.219 50 0 EGAAMO OC[C@@]1(O)CCC[N@@H+](Cc2ccc(SC3CCCCC3)o2)CC1 ZINC000072156445 216045788 /nfs/dbraw/zinc/04/57/88/216045788.db2.gz ZWZGKHHCWGRWIH-GOSISDBHSA-N 1 1 339.501 3.414 50 0 EGAAMO COc1ccc(-c2n[nH]cc2CN2CC([N@H+]3CCCC[C@H]3C)C2)cc1 ZINC000072164110 216052856 /nfs/dbraw/zinc/05/28/56/216052856.db2.gz FKQVMLCDCCWCJZ-OAHLLOKOSA-N 1 1 340.471 3.144 50 0 EGAAMO O=C1NC[C@]2(CCC[N@@H+](Cc3nc(-c4ccccc4)cs3)CC2)O1 ZINC000072165870 216055247 /nfs/dbraw/zinc/05/52/47/216055247.db2.gz ZLZUKWQAFFPRNN-GOSISDBHSA-N 1 1 343.452 3.275 50 0 EGAAMO Cc1nccn1CCC[N@H+]1CCC[C@@H](C(=O)CCc2ccccc2)C1 ZINC000072166638 216055807 /nfs/dbraw/zinc/05/58/07/216055807.db2.gz SCQHVHJRYBSAJV-HXUWFJFHSA-N 1 1 339.483 3.496 50 0 EGAAMO CC(C)Cc1ccc(C[N@H+]2CCC[C@H](Nc3nccc(N)n3)C2)cc1 ZINC000072423021 216212292 /nfs/dbraw/zinc/21/22/92/216212292.db2.gz YQYWGFGKCQCADS-SFHVURJKSA-N 1 1 339.487 3.334 50 0 EGAAMO Cc1ncsc1C(=O)N1CCC([N@H+]2CCc3ccccc3C2)CC1 ZINC000072436563 216232376 /nfs/dbraw/zinc/23/23/76/216232376.db2.gz AJJGZUIVIAJCJK-UHFFFAOYSA-N 1 1 341.480 3.114 50 0 EGAAMO Cn1c(CN2CCCCC2)nnc1[C@H]1CCC[N@@H+](CC2CCCC2)C1 ZINC000072473647 216250583 /nfs/dbraw/zinc/25/05/83/216250583.db2.gz DKKNWAPLWCXQJF-SFHVURJKSA-N 1 1 345.535 3.171 50 0 EGAAMO C[N@H+]1CCCC[C@H]1CNc1cc(-c2ccc(F)cc2)nc2ccnn21 ZINC000072474139 216251883 /nfs/dbraw/zinc/25/18/83/216251883.db2.gz IBAVEXHCESZZAL-INIZCTEOSA-N 1 1 339.418 3.432 50 0 EGAAMO CN(C)C(=O)c1ccc(N[C@H]2CCC[N@@H+](CC3CCCCC3)C2)nc1 ZINC000072475482 216253344 /nfs/dbraw/zinc/25/33/44/216253344.db2.gz FMOAMNGSEDWELT-SFHVURJKSA-N 1 1 344.503 3.240 50 0 EGAAMO CCN(CC)C(=O)[C@H]1CCC[N@@H+](C/C=C/c2ccccc2OC)C1 ZINC000023282004 212366824 /nfs/dbraw/zinc/36/68/24/212366824.db2.gz BWYUKIDRIHUSNP-MZEUMTGBSA-N 1 1 330.472 3.289 50 0 EGAAMO O=C(NC[C@@H](c1cccs1)[N@@H+]1CCc2ccccc2C1)C1CC1 ZINC000022907735 212332384 /nfs/dbraw/zinc/33/23/84/212332384.db2.gz GHHQQJRJPCLYSD-KRWDZBQOSA-N 1 1 326.465 3.374 50 0 EGAAMO O=C(NC[C@@H](c1cccs1)[N@H+]1CCc2ccccc2C1)C1CC1 ZINC000022907735 212332387 /nfs/dbraw/zinc/33/23/87/212332387.db2.gz GHHQQJRJPCLYSD-KRWDZBQOSA-N 1 1 326.465 3.374 50 0 EGAAMO C[C@H](c1ccc(-c2nccnc2N2CCCC2)cc1)[NH+]1CCOCC1 ZINC000215697661 241140271 /nfs/dbraw/zinc/14/02/71/241140271.db2.gz UUZQZVFYTGOGDJ-MRXNPFEDSA-N 1 1 338.455 3.137 50 0 EGAAMO C[NH+]1CCN(Cc2ccc(C(=O)c3ccc(F)cc3Cl)cc2)CC1 ZINC000022027940 212271109 /nfs/dbraw/zinc/27/11/09/212271109.db2.gz ASGZPLMERWVGIG-UHFFFAOYSA-N 1 1 346.833 3.458 50 0 EGAAMO Cc1cccc(OC2CN(C(=O)[C@@H](c3cccc(C)c3)[NH+](C)C)C2)c1 ZINC000223094027 241600431 /nfs/dbraw/zinc/60/04/31/241600431.db2.gz KDMNNYJHDKOWBV-HXUWFJFHSA-N 1 1 338.451 3.196 50 0 EGAAMO OCC[C@@H]1C[N@@H+](Cc2ccccc2)CCN1Cc1ccc(F)c(F)c1 ZINC000020996298 212196231 /nfs/dbraw/zinc/19/62/31/212196231.db2.gz XUDAGEMSDOEWDK-GOSISDBHSA-N 1 1 346.421 3.034 50 0 EGAAMO CCn1ccc(C[N@H+]2CCC[C@H](c3nc(-c4ccccc4)no3)C2)n1 ZINC000244735117 243074153 /nfs/dbraw/zinc/07/41/53/243074153.db2.gz NTDGHGXVQXGORO-INIZCTEOSA-N 1 1 337.427 3.333 50 0 EGAAMO Cc1csc([C@H](C)N(C)CC[NH+]2CCN(c3ccccc3)CC2)n1 ZINC000244873296 243091670 /nfs/dbraw/zinc/09/16/70/243091670.db2.gz WNNKIIDKQIUHQH-KRWDZBQOSA-N 1 1 344.528 3.267 50 0 EGAAMO c1ccc(-c2n[nH]c3c2C[N@@H+](C2CSCCSC2)CC3)cc1 ZINC000020542703 212145941 /nfs/dbraw/zinc/14/59/41/212145941.db2.gz SFELALSLBSUTFB-UHFFFAOYSA-N 1 1 331.510 3.283 50 0 EGAAMO CC(C)Oc1ccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000020512115 212142439 /nfs/dbraw/zinc/14/24/39/212142439.db2.gz UHYLOMGZMJQIAZ-UHFFFAOYSA-N 1 1 338.451 3.432 50 0 EGAAMO CCCCCCc1c(O)nc(SCC[NH+](CC)CC)[nH]c1=O ZINC000019879633 212078461 /nfs/dbraw/zinc/07/84/61/212078461.db2.gz LAFSXMVHOBHDSQ-UHFFFAOYSA-N 1 1 327.494 3.032 50 0 EGAAMO O=C(Cn1ccc2ccc(F)cc21)NC[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000012296402 211335368 /nfs/dbraw/zinc/33/53/68/211335368.db2.gz AWJAWEHNGOOJNY-FUHWJXTLSA-N 1 1 343.446 3.161 50 0 biogenic EGAAMO CC(C)/C=C/C[N@H+]1CCc2[nH]nc(-c3ccc4c(c3)OCO4)c2C1 ZINC000012305668 211338412 /nfs/dbraw/zinc/33/84/12/211338412.db2.gz FAVQLQYDJFEVGB-ONEGZZNKSA-N 1 1 325.412 3.376 50 0 EGAAMO CC(=O)N1CCC([N@H+]2CCC[C@@H](C(=O)c3ccc(Cl)cc3)C2)CC1 ZINC000012225733 211325148 /nfs/dbraw/zinc/32/51/48/211325148.db2.gz FXOQZPXDMJNVQS-MRXNPFEDSA-N 1 1 348.874 3.246 50 0 EGAAMO CCCN1C(=O)[C@H]2CC[C@@H]1CN(c1cc(C(F)(F)F)cc(C)[nH+]1)C2 ZINC000091643896 218037313 /nfs/dbraw/zinc/03/73/13/218037313.db2.gz HMVAJZUNGQJMND-GXTWGEPZSA-N 1 1 341.377 3.246 50 0 EGAAMO Fc1ccc(N[C@H]2CCC[N@@H+](Cc3cccc4nonc43)C2)cc1 ZINC000011661689 211229762 /nfs/dbraw/zinc/22/97/62/211229762.db2.gz XYZLMMBZBWWGAG-INIZCTEOSA-N 1 1 326.375 3.438 50 0 EGAAMO O=C(CCC1CCCC1)N1C[C@H]2CC[C@@H]1C[N@@H+](Cc1ccncc1)C2 ZINC000091876720 218082152 /nfs/dbraw/zinc/08/21/52/218082152.db2.gz ZVORPVJXOHFQAF-VQTJNVASSA-N 1 1 341.499 3.475 50 0 EGAAMO COCC[C@]1(CO)CCC[N@@H+](Cc2cc(C3CCCCC3)no2)C1 ZINC000091998135 218102138 /nfs/dbraw/zinc/10/21/38/218102138.db2.gz ZTTZWGBFIKKILO-LJQANCHMSA-N 1 1 336.476 3.333 50 0 EGAAMO COc1ccnc(C[N@@H+]2CCC[C@@](CO)(CC=C(C)C)C2)c1OC ZINC000092082010 218117581 /nfs/dbraw/zinc/11/75/81/218117581.db2.gz GQAJTGQXUBIIMG-LJQANCHMSA-N 1 1 334.460 3.030 50 0 EGAAMO COc1ccnc(C[N@H+]2CCC[C@@](CO)(CC=C(C)C)C2)c1OC ZINC000092082010 218117582 /nfs/dbraw/zinc/11/75/82/218117582.db2.gz GQAJTGQXUBIIMG-LJQANCHMSA-N 1 1 334.460 3.030 50 0 EGAAMO OCc1ccc(C[C@H]2CC[N@@H+](Cc3ccc4c(c3)OCCO4)C2)cc1 ZINC000092062140 218112271 /nfs/dbraw/zinc/11/22/71/218112271.db2.gz SMLDFOQZTHYSQB-LJQANCHMSA-N 1 1 339.435 3.015 50 0 EGAAMO Cc1cccc([C@@H](C(=O)N(C)Cc2cc(C(C)(C)C)n[nH]2)[NH+](C)C)c1 ZINC000095366694 218298651 /nfs/dbraw/zinc/29/86/51/218298651.db2.gz AWHAYKRIRASORG-SFHVURJKSA-N 1 1 342.487 3.277 50 0 EGAAMO C[NH+](C)[C@H](C(=O)N(Cc1cccc(O)c1)C1CC1)c1ccc(F)cc1 ZINC000095384143 218316029 /nfs/dbraw/zinc/31/60/29/218316029.db2.gz SGRDSXJKMRZDHY-IBGZPJMESA-N 1 1 342.414 3.325 50 0 EGAAMO O=C(NCc1cccc(Cl)c1)N1CCC[N@H+](C2CCCC2)CC1 ZINC000172511054 257955440 /nfs/dbraw/zinc/95/54/40/257955440.db2.gz GJJLIXYEQPARPM-UHFFFAOYSA-N 1 1 335.879 3.500 50 0 EGAAMO O=C(NCCC1(O)CCCC1)[C@H]1C[C@@H](c2ccccc2)[N@H+]2CCC[C@H]12 ZINC000299769264 258083223 /nfs/dbraw/zinc/08/32/23/258083223.db2.gz LFXBOQVCICGOJA-OTWHNJEPSA-N 1 1 342.483 3.023 50 0 EGAAMO CC1=CC[C@@H]2C[N@@H+](Cc3cc(=O)n4cc(Cl)ccc4n3)C[C@@H]2C1 ZINC000299791830 258097547 /nfs/dbraw/zinc/09/75/47/258097547.db2.gz DGKNGCUVFOHFEM-KGLIPLIRSA-N 1 1 329.831 3.136 50 0 EGAAMO COc1cccc(C[NH+]2CCN(c3ccc(F)cc3)CC2)c1OC ZINC000055542903 132195385 /nfs/dbraw/zinc/19/53/85/132195385.db2.gz XACGOSVSBKWHGJ-UHFFFAOYSA-N 1 1 330.403 3.165 50 0 EGAAMO COc1c2c(cc3c1[C@H](C[C@@H](O)c1ccccc1)[N@@H+](C)CC3)OCO2 ZINC000012660537 286188661 /nfs/dbraw/zinc/18/86/61/286188661.db2.gz VUJZEAKYGMRHEZ-JKSUJKDBSA-N 1 1 341.407 3.077 50 0 biogenic EGAAMO CO[C@@H]1CC[C@@H]2C[N@@H+]3CCc4c5ccccc5[nH]c4[C@@H]3C[C@H]2[C@@H]1CO ZINC000257357411 274065157 /nfs/dbraw/zinc/06/51/57/274065157.db2.gz NWVMGSHVNNFQRI-AEDWNXJWSA-N 1 1 340.467 3.121 50 0 EGAAMO CO[C@@H]1CC[C@@H]2C[N@H+]3CCc4c5ccccc5[nH]c4[C@@H]3C[C@H]2[C@@H]1CO ZINC000257357411 274065158 /nfs/dbraw/zinc/06/51/58/274065158.db2.gz NWVMGSHVNNFQRI-AEDWNXJWSA-N 1 1 340.467 3.121 50 0 EGAAMO CC[N@H+]1CCc2c(sc3c2C(=O)N[C@H](c2ccc(O)cc2)N3)C1 ZINC000004555603 276236857 /nfs/dbraw/zinc/23/68/57/276236857.db2.gz UHXUMBCPKWNLHJ-HNNXBMFYSA-N 1 1 329.425 3.261 50 0 EGAAMO CN1C[C@]2(CCCN(c3cc[nH+]c4cc(Cl)ccc43)C2)OC1=O ZINC000072434647 277207714 /nfs/dbraw/zinc/20/77/14/277207714.db2.gz BTQKYRZGWWQTJZ-KRWDZBQOSA-N 1 1 331.803 3.309 50 0 EGAAMO CC(C)=CCC[C@]1(C)OC(=O)N(CCCn2cc[nH+]c2C)[C@@]1(C)O ZINC000000110704 277324444 /nfs/dbraw/zinc/32/44/44/277324444.db2.gz YKFPHCVRHUWONI-ROUUACIJSA-N 1 1 335.448 3.247 50 0 EGAAMO C[C@@H]1C[NH+](C[C@H](O)COc2ccc(-c3ccccc3)cc2)C[C@@H](C)O1 ZINC000023224753 278767407 /nfs/dbraw/zinc/76/74/07/278767407.db2.gz AOJZWBFZAWYLFD-HLIPFELVSA-N 1 1 341.451 3.203 50 0 EGAAMO C[NH+]1CCN(c2ccc(NC(=O)c3ccc(Cl)cc3)cc2F)CC1 ZINC000001399220 452659783 /nfs/dbraw/zinc/65/97/83/452659783.db2.gz ROFPXKFTUIZVHP-UHFFFAOYSA-N 1 1 347.821 3.483 50 0 EGAAMO C[N@@H+](CCOC(=O)COc1ccc(Cl)cc1)Cc1ccccc1 ZINC000002902232 452733637 /nfs/dbraw/zinc/73/36/37/452733637.db2.gz SLYNGFZSWUOYIS-UHFFFAOYSA-N 1 1 333.815 3.394 50 0 EGAAMO CSc1ccc(C(=O)[C@@H]2CCC[N@H+](Cc3cnn(C)c3)C2)cc1 ZINC000012717627 453393512 /nfs/dbraw/zinc/39/35/12/453393512.db2.gz KQPLDOCNPIRWLQ-MRXNPFEDSA-N 1 1 329.469 3.237 50 0 EGAAMO CSc1ccc(C(=O)[C@@H]2CCC[N@@H+](Cc3cnn(C)c3)C2)cc1 ZINC000012717627 453393520 /nfs/dbraw/zinc/39/35/20/453393520.db2.gz KQPLDOCNPIRWLQ-MRXNPFEDSA-N 1 1 329.469 3.237 50 0 EGAAMO CCC(=O)Nc1ccc(N2CC[NH+](Cc3ccc(F)cc3)CC2)cc1 ZINC000012856854 453415449 /nfs/dbraw/zinc/41/54/49/453415449.db2.gz OOPWMRRWYBPBCC-UHFFFAOYSA-N 1 1 341.430 3.496 50 0 EGAAMO CC[N@H+]1CC[C@@](O)(c2ccc(F)cc2)[C@@H](C(=O)c2ccc(F)cc2)C1 ZINC000013893848 453491236 /nfs/dbraw/zinc/49/12/36/453491236.db2.gz BYIGBTSEDRHFEO-UYAOXDASSA-N 1 1 345.389 3.377 50 0 EGAAMO Cc1cc(CN(C)C[C@@H]2CCC[N@@H+](CCc3ccc(F)cc3)C2)[nH]n1 ZINC000015071102 453554250 /nfs/dbraw/zinc/55/42/50/453554250.db2.gz ZRSYQHOEDIEXQJ-SFHVURJKSA-N 1 1 344.478 3.244 50 0 EGAAMO Cc1cc(CN(C)C[C@@H]2CCC[N@H+](CCc3ccc(F)cc3)C2)n[nH]1 ZINC000015071102 453554251 /nfs/dbraw/zinc/55/42/51/453554251.db2.gz ZRSYQHOEDIEXQJ-SFHVURJKSA-N 1 1 344.478 3.244 50 0 EGAAMO Cc1cc(CN(C)C[C@@H]2CCC[N@@H+](CCc3ccc(F)cc3)C2)n[nH]1 ZINC000015071102 453554252 /nfs/dbraw/zinc/55/42/52/453554252.db2.gz ZRSYQHOEDIEXQJ-SFHVURJKSA-N 1 1 344.478 3.244 50 0 EGAAMO CC[N@H+]1CCC[C@H]1Cn1cnc2c([nH]c3cccc(Cl)c32)c1=O ZINC000020479282 453666421 /nfs/dbraw/zinc/66/64/21/453666421.db2.gz HSUZCJBKRXUKKI-NSHDSACASA-N 1 1 330.819 3.016 50 0 EGAAMO C[NH+]1CCN(C2(CNC(=O)c3cccc(Cl)c3)CCCCC2)CC1 ZINC000027741745 453820116 /nfs/dbraw/zinc/82/01/16/453820116.db2.gz WYGKXYXBHXCCKK-UHFFFAOYSA-N 1 1 349.906 3.020 50 0 EGAAMO CCOc1cc2c(cc1NC(=O)C[NH+]1CCC(C)CC1)O[C@@H](C)C2 ZINC000028928013 453825436 /nfs/dbraw/zinc/82/54/36/453825436.db2.gz REDWIDGBWPEVNX-AWEZNQCLSA-N 1 1 332.444 3.079 50 0 EGAAMO CCC[C@@H]1C[N@H+](Cc2ccccc2OC(F)(F)F)C[C@H]1NC(C)=O ZINC000082096449 453923183 /nfs/dbraw/zinc/92/31/83/453923183.db2.gz MWOYRUBGIKQPAV-UKRRQHHQSA-N 1 1 344.377 3.322 50 0 EGAAMO CCC[C@@H]1C[N@@H+](Cc2ccccc2OC(F)(F)F)C[C@H]1NC(C)=O ZINC000082096449 453923184 /nfs/dbraw/zinc/92/31/84/453923184.db2.gz MWOYRUBGIKQPAV-UKRRQHHQSA-N 1 1 344.377 3.322 50 0 EGAAMO Cc1ccc[nH+]c1N1CCN(C(=O)c2scc3c2CCCC3)CC1 ZINC000082109515 453924436 /nfs/dbraw/zinc/92/44/36/453924436.db2.gz IHRFOWCTCDJQHO-UHFFFAOYSA-N 1 1 341.480 3.293 50 0 EGAAMO Cc1[nH+]ccn1C[C@@H]1CCCN(C(=O)c2ccc3ncccc3c2)C1 ZINC000082134115 453926495 /nfs/dbraw/zinc/92/64/95/453926495.db2.gz GRJFCXNGSOSRLS-INIZCTEOSA-N 1 1 334.423 3.292 50 0 EGAAMO C[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1N(C)c1ncnc2[nH]ccc21 ZINC000038847049 453941830 /nfs/dbraw/zinc/94/18/30/453941830.db2.gz UMWNXPTXDOVDFE-QAPCUYQASA-N 1 1 335.455 3.305 50 0 EGAAMO COc1ccccc1/C=C/C[N@H+]1CCC[C@H](C(=O)c2nccn2C)C1 ZINC000077377909 454099272 /nfs/dbraw/zinc/09/92/72/454099272.db2.gz KPKOALYPCYVZML-JZLODUJNSA-N 1 1 339.439 3.037 50 0 EGAAMO O=C(c1ccc(Cl)cc1F)N1CCC[N@H+](Cc2cccnc2)CC1 ZINC000077440470 454106324 /nfs/dbraw/zinc/10/63/24/454106324.db2.gz BUTOKYRULDQYIM-UHFFFAOYSA-N 1 1 347.821 3.222 50 0 EGAAMO O=C(c1ccc(Cl)cc1F)N1CCC[N@@H+](Cc2cccnc2)CC1 ZINC000077440470 454106327 /nfs/dbraw/zinc/10/63/27/454106327.db2.gz BUTOKYRULDQYIM-UHFFFAOYSA-N 1 1 347.821 3.222 50 0 EGAAMO O[C@@H]1C[C@H]2C[N@H+](Cc3ccc(-c4ccccc4Cl)o3)C[C@H]2C[C@@H]1O ZINC000071662636 454210748 /nfs/dbraw/zinc/21/07/48/454210748.db2.gz KXFQKOAVRIEICL-VUWOVVPOSA-N 1 1 347.842 3.164 50 0 EGAAMO Cn1ccnc1-c1nccn1CC[N@H+]1CCC[C@@H](c2ccccc2)C1 ZINC000071736472 454212253 /nfs/dbraw/zinc/21/22/53/454212253.db2.gz ORVAPXXFSSQKBD-GOSISDBHSA-N 1 1 335.455 3.163 50 0 EGAAMO CCc1[nH+]ccn1CC(=O)N1CCC[C@H](CCc2ccccc2F)C1 ZINC000071754052 454214057 /nfs/dbraw/zinc/21/40/57/454214057.db2.gz PDAPYBHUJAGQSP-MRXNPFEDSA-N 1 1 343.446 3.456 50 0 EGAAMO CCc1[nH+]ccn1CC(=O)NCc1ccc2[nH]c3c(c2c1)CCCC3 ZINC000071755111 454214559 /nfs/dbraw/zinc/21/45/59/454214559.db2.gz YMGBHHFAWURFDC-UHFFFAOYSA-N 1 1 336.439 3.122 50 0 EGAAMO NC(=O)CC[N@H+]1CCC[C@@H](C(=O)c2ccc(-c3ccccc3)cc2)C1 ZINC000071760436 454215650 /nfs/dbraw/zinc/21/56/50/454215650.db2.gz YIIXVKWBAIKRQB-LJQANCHMSA-N 1 1 336.435 3.124 50 0 EGAAMO COc1ccc(OC)c(-c2nc(C[N@H+]3CCC[C@@H](OC)C3)c(C)o2)c1 ZINC000071771667 454217225 /nfs/dbraw/zinc/21/72/25/454217225.db2.gz JXMXHNIAJSJCSF-OAHLLOKOSA-N 1 1 346.427 3.278 50 0 EGAAMO COc1ccc(OC)c(-c2nc(C[N@@H+]3CCC[C@@H](OC)C3)c(C)o2)c1 ZINC000071771667 454217230 /nfs/dbraw/zinc/21/72/30/454217230.db2.gz JXMXHNIAJSJCSF-OAHLLOKOSA-N 1 1 346.427 3.278 50 0 EGAAMO Cc1nc2c(c(NCCCc3[nH]cc[nH+]3)n1)Cc1ccccc1OC2 ZINC000095502392 454222838 /nfs/dbraw/zinc/22/28/38/454222838.db2.gz GWVZSMFPKXTXQM-UHFFFAOYSA-N 1 1 335.411 3.036 50 0 EGAAMO CN(Cc1ncccn1)C[C@H]1CCC[N@@H+](CCc2ccccc2F)C1 ZINC000095529469 454229274 /nfs/dbraw/zinc/22/92/74/454229274.db2.gz JSMNLGHCHDNGLH-QGZVFWFLSA-N 1 1 342.462 3.002 50 0 EGAAMO CC(C)c1cc(N2CCC[N@H+](C3CCCC3)CC2)n2nccc2n1 ZINC000072171329 454273953 /nfs/dbraw/zinc/27/39/53/454273953.db2.gz JJNICBYINJMIBH-UHFFFAOYSA-N 1 1 327.476 3.307 50 0 EGAAMO C[N@H+]1CCCCC[C@@H]1C(=O)N1CCC(Oc2cccc(F)c2)CC1 ZINC000091364675 454430159 /nfs/dbraw/zinc/43/01/59/454430159.db2.gz IJJWIRSWOBSSSJ-GOSISDBHSA-N 1 1 334.435 3.070 50 0 EGAAMO CCOc1ccccc1C[NH+]1CCN(c2nc(C)ncc2CC)CC1 ZINC000065394168 454558827 /nfs/dbraw/zinc/55/88/27/454558827.db2.gz CGDMSIQOWBUWPI-UHFFFAOYSA-N 1 1 340.471 3.068 50 0 EGAAMO Cc1ccc(C2(CN(C)Cc3cccnc3Cl)CC[NH2+]CC2)nc1 ZINC000065431032 454567212 /nfs/dbraw/zinc/56/72/12/454567212.db2.gz BQRRLUMISLQPNQ-UHFFFAOYSA-N 1 1 344.890 3.192 50 0 EGAAMO CCCc1c(-c2ccccc2)ncn1C1CC[NH+](CC(=O)OC)CC1 ZINC000065454412 454570917 /nfs/dbraw/zinc/57/09/17/454570917.db2.gz WVVRLBKUPJMIAM-UHFFFAOYSA-N 1 1 341.455 3.313 50 0 EGAAMO Cc1c2ccc(C)cc2oc1C(=O)NC[C@@H](c1ccccn1)[NH+](C)C ZINC000065525558 454583914 /nfs/dbraw/zinc/58/39/14/454583914.db2.gz URWRHFYBECZMEN-KRWDZBQOSA-N 1 1 337.423 3.477 50 0 EGAAMO O=C(c1ccccn1)N1CCC[C@@H]1[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000106580849 454703333 /nfs/dbraw/zinc/70/33/33/454703333.db2.gz OIXBDLWIKITHDB-WOJBJXKFSA-N 1 1 335.451 3.351 50 0 EGAAMO Cc1n[nH]c(C)c1CN(C)C(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000252485134 455809659 /nfs/dbraw/zinc/80/96/59/455809659.db2.gz GNYRDNCQHWPCCK-IBGZPJMESA-N 1 1 340.471 3.040 50 0 EGAAMO CCC(CC)C[NH+]1CCN(S(=O)(=O)c2ccccc2Cl)CC1 ZINC000252490862 455811779 /nfs/dbraw/zinc/81/17/79/455811779.db2.gz LDGIUJWLWKZTCT-UHFFFAOYSA-N 1 1 344.908 3.083 50 0 EGAAMO CC[C@H](c1ccc(OC)cc1)[N@@H+](C)CC(=O)Nc1ccc(C)cn1 ZINC000252490634 455812383 /nfs/dbraw/zinc/81/23/83/455812383.db2.gz KYDGBCWJVHQMTM-QGZVFWFLSA-N 1 1 327.428 3.420 50 0 EGAAMO COc1ccnc(C[N@H+](C)Cc2c[nH]nc2-c2ccc(F)cc2)c1 ZINC000252508608 455817150 /nfs/dbraw/zinc/81/71/50/455817150.db2.gz XPVICZSBZCOGBR-UHFFFAOYSA-N 1 1 326.375 3.251 50 0 EGAAMO COc1ccnc(C[N@@H+](C)Cc2c[nH]nc2-c2ccc(F)cc2)c1 ZINC000252508608 455817155 /nfs/dbraw/zinc/81/71/55/455817155.db2.gz XPVICZSBZCOGBR-UHFFFAOYSA-N 1 1 326.375 3.251 50 0 EGAAMO Cc1sc2[nH]c([C@@H](C)[N@@H+]3CC[C@@]4(CCOC4)C3)nc(=O)c2c1C ZINC000253552398 455853411 /nfs/dbraw/zinc/85/34/11/455853411.db2.gz ABNAGVRXSDKFIS-PIGZYNQJSA-N 1 1 333.457 3.187 50 0 EGAAMO Cc1sc2[nH]c([C@@H](C)[N@H+]3CC[C@@]4(CCOC4)C3)nc(=O)c2c1C ZINC000253552398 455853413 /nfs/dbraw/zinc/85/34/13/455853413.db2.gz ABNAGVRXSDKFIS-PIGZYNQJSA-N 1 1 333.457 3.187 50 0 EGAAMO COC[C@@H](c1ccccn1)[N@@H+](C)Cc1cc2ccc(C)cc2[nH]c1=O ZINC000215480135 456025726 /nfs/dbraw/zinc/02/57/26/456025726.db2.gz ITGWDPRPJOAOLP-IBGZPJMESA-N 1 1 337.423 3.051 50 0 EGAAMO CCN(CC)Cc1cc(C(=O)NCC[C@H]2CCCC[N@@H+]2C)c(C)o1 ZINC000220286071 456039187 /nfs/dbraw/zinc/03/91/87/456039187.db2.gz MRQSWYAGBKRUGX-MRXNPFEDSA-N 1 1 335.492 3.034 50 0 EGAAMO CCN(CC)Cc1cc(C(=O)NCC[C@H]2CCCC[N@H+]2C)c(C)o1 ZINC000220286071 456039190 /nfs/dbraw/zinc/03/91/90/456039190.db2.gz MRQSWYAGBKRUGX-MRXNPFEDSA-N 1 1 335.492 3.034 50 0 EGAAMO Cc1[nH+]ccn1CCN(C)C(=O)c1ccc(-c2ncccc2C)cc1 ZINC000426412626 457824501 /nfs/dbraw/zinc/82/45/01/457824501.db2.gz BGTPPOIVJJSWAH-UHFFFAOYSA-N 1 1 334.423 3.334 50 0 EGAAMO Cc1nc(N2CC[C@]3(C2)CCC[N@@H+](Cc2ccc(F)cc2)C3)no1 ZINC000426551752 457854186 /nfs/dbraw/zinc/85/41/86/457854186.db2.gz DWLQREXBFFORBQ-GOSISDBHSA-N 1 1 330.407 3.010 50 0 EGAAMO CC[C@H]1CN(C(=O)NCc2c(OC)ccc3ccccc32)CC[N@H+]1C ZINC000426566815 457856471 /nfs/dbraw/zinc/85/64/71/457856471.db2.gz CSAGNQFLHMHZHK-INIZCTEOSA-N 1 1 341.455 3.084 50 0 EGAAMO CSC[C@@H]1CCCN(C(=O)NCCCn2cc[nH+]c2C(C)C)C1 ZINC000426596634 457860485 /nfs/dbraw/zinc/86/04/85/457860485.db2.gz QNJBCNQZKKCILV-OAHLLOKOSA-N 1 1 338.521 3.181 50 0 EGAAMO COc1ccc2[nH]c(C(=O)NC[C@H]3CCC[N@H+]4CCCC[C@H]34)cc2c1 ZINC000504765600 458739628 /nfs/dbraw/zinc/73/96/28/458739628.db2.gz LGIFLRZBMIUGON-AUUYWEPGSA-N 1 1 341.455 3.171 50 0 EGAAMO Cn1c2ccccc2nc1N1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000480570062 459205423 /nfs/dbraw/zinc/20/54/23/459205423.db2.gz ZFUBYFZLTLQHPW-HDICACEKSA-N 1 1 332.451 3.142 50 0 EGAAMO CC(=O)c1ccc(C(=O)N2CCC[C@H](Cn3cc[nH+]c3C)C2)s1 ZINC000584903690 459821284 /nfs/dbraw/zinc/82/12/84/459821284.db2.gz KTXBTSQNXKVHQI-CQSZACIVSA-N 1 1 331.441 3.008 50 0 EGAAMO C[NH+](C)[C@H]1CCCN(CCC(=O)Nc2ccc(F)c(Cl)c2)CC1 ZINC000244774137 536138060 /nfs/dbraw/zinc/13/80/60/536138060.db2.gz POLTVZZTSVBYPQ-AWEZNQCLSA-N 1 1 341.858 3.224 50 0 EGAAMO COc1ccc(/C=C/C[N@H+]2CCCN(Cc3ccccn3)CC2)cc1 ZINC000216312164 536596607 /nfs/dbraw/zinc/59/66/07/536596607.db2.gz KARQWZMKWKWDRU-GQCTYLIASA-N 1 1 337.467 3.311 50 0 EGAAMO COc1ccc(/C=C/CN2CCC[N@H+](Cc3ccccn3)CC2)cc1 ZINC000216312164 536596611 /nfs/dbraw/zinc/59/66/11/536596611.db2.gz KARQWZMKWKWDRU-GQCTYLIASA-N 1 1 337.467 3.311 50 0 EGAAMO COc1ccc(/C=C/CN2CCC[N@@H+](Cc3ccccn3)CC2)cc1 ZINC000216312164 536596612 /nfs/dbraw/zinc/59/66/12/536596612.db2.gz KARQWZMKWKWDRU-GQCTYLIASA-N 1 1 337.467 3.311 50 0 EGAAMO C[N@H+](Cc1cccc2c3ccccc3oc21)[C@H]1CCS(=O)(=O)C1 ZINC000670472833 548221674 /nfs/dbraw/zinc/22/16/74/548221674.db2.gz UPUYVKNQSYDDAC-AWEZNQCLSA-N 1 1 329.421 3.205 50 0 EGAAMO C[N@@H+](Cc1cccc2c3ccccc3oc21)[C@H]1CCS(=O)(=O)C1 ZINC000670472833 548221678 /nfs/dbraw/zinc/22/16/78/548221678.db2.gz UPUYVKNQSYDDAC-AWEZNQCLSA-N 1 1 329.421 3.205 50 0 EGAAMO CC(=O)CCc1ccc(OCCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000016488532 1291174535 /nfs/dbraw/zinc/17/45/35/1291174535.db2.gz CGUXEYUIMGMKLL-HDICACEKSA-N 1 1 333.472 3.476 50 0 EGAAMO CC(C)[C@H]1CN(Cc2c[nH]cn2)CCC[N@H+]1Cc1ccc(F)cc1 ZINC000071762374 1292268682 /nfs/dbraw/zinc/26/86/82/1292268682.db2.gz VCXLHRROLIVYFU-LJQANCHMSA-N 1 1 330.451 3.281 50 0 EGAAMO CC(C)[C@H]1CN(Cc2cnc[nH]2)CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000071762374 1292268688 /nfs/dbraw/zinc/26/86/88/1292268688.db2.gz VCXLHRROLIVYFU-LJQANCHMSA-N 1 1 330.451 3.281 50 0 EGAAMO CC(C)[C@H]1CN(Cc2cnc[nH]2)CCC[N@H+]1Cc1ccc(F)cc1 ZINC000071762374 1292268692 /nfs/dbraw/zinc/26/86/92/1292268692.db2.gz VCXLHRROLIVYFU-LJQANCHMSA-N 1 1 330.451 3.281 50 0 EGAAMO c1cc([C@@H]2CCC[N@H+](Cc3cnc(NCc4ccccc4)nc3)C2)n[nH]1 ZINC000829069286 1292536259 /nfs/dbraw/zinc/53/62/59/1292536259.db2.gz UKJGHDHRKNZXFU-GOSISDBHSA-N 1 1 348.454 3.191 50 0 EGAAMO O=C(N[C@@H]1CC[N@@H+](Cc2ccsc2)C1)c1ccc2ncsc2c1 ZINC000618256738 1298099784 /nfs/dbraw/zinc/09/97/84/1298099784.db2.gz LYLAEPUGOKACIA-CQSZACIVSA-N 1 1 343.477 3.362 50 0 EGAAMO COc1ccc(C(=O)N[C@H]2CCC[N@@H+](Cc3cccs3)C2)cc1F ZINC000824722620 1320280367 /nfs/dbraw/zinc/28/03/67/1320280367.db2.gz CEWKVYPGTPUGDC-AWEZNQCLSA-N 1 1 348.443 3.290 50 0 EGAAMO CCCCc1nc(C[NH2+][C@@H](C)CN2CCc3ccccc3C2)c[nH]1 ZINC000952986347 1334630573 /nfs/dbraw/zinc/63/05/73/1334630573.db2.gz GZLOWHKEXLIDGF-INIZCTEOSA-N 1 1 326.488 3.289 50 0 EGAAMO Cc1c2ccccc2oc1CNc1nc(N2CCC[C@@H](O)C2)cc[nH+]1 ZINC001704297244 1416433033 /nfs/dbraw/zinc/43/30/33/1416433033.db2.gz UDBJQQCIARXYEL-CQSZACIVSA-N 1 1 338.411 3.104 50 0 EGAAMO C[N@H+](CC(=O)N1CCC(c2ccncc2)CC1)Cc1ccc(F)cc1 ZINC001704353710 1416453779 /nfs/dbraw/zinc/45/37/79/1416453779.db2.gz JEUJPMXGUNLCLU-UHFFFAOYSA-N 1 1 341.430 3.059 50 0 EGAAMO C[N@@H+](CC(=O)N1CCC(c2ccncc2)CC1)Cc1ccc(F)cc1 ZINC001704353710 1416453780 /nfs/dbraw/zinc/45/37/80/1416453780.db2.gz JEUJPMXGUNLCLU-UHFFFAOYSA-N 1 1 341.430 3.059 50 0 EGAAMO CC(C)[N@H+]1CCN(Cc2ccc3c4c2cccc4C(=O)OC3)C[C@H]1C ZINC001704356958 1416454825 /nfs/dbraw/zinc/45/48/25/1416454825.db2.gz AOICJFBDOQMFGZ-OAHLLOKOSA-N 1 1 338.451 3.425 50 0 EGAAMO CC(C)N1CC[N@H+](Cc2ccc3c4c2cccc4C(=O)OC3)C[C@H]1C ZINC001704356958 1416454828 /nfs/dbraw/zinc/45/48/28/1416454828.db2.gz AOICJFBDOQMFGZ-OAHLLOKOSA-N 1 1 338.451 3.425 50 0 EGAAMO CC(C)N1CC[N@@H+](Cc2ccc3c4c2cccc4C(=O)OC3)C[C@H]1C ZINC001704356958 1416454831 /nfs/dbraw/zinc/45/48/31/1416454831.db2.gz AOICJFBDOQMFGZ-OAHLLOKOSA-N 1 1 338.451 3.425 50 0 EGAAMO CCOc1cc(C[N@H+]2C[C@H]3C[C@@]3(C)C2)ccc1OCCn1ccnc1 ZINC001772808248 1441417467 /nfs/dbraw/zinc/41/74/67/1441417467.db2.gz KFSIFLJRXDQRSL-XLIONFOSSA-N 1 1 341.455 3.203 50 0 EGAAMO COCC[N@@H+](CCn1c(=O)oc2ccccc21)Cc1sccc1C ZINC000055099104 214271875 /nfs/dbraw/zinc/27/18/75/214271875.db2.gz GOGDXIQFDWPZFW-UHFFFAOYSA-N 1 1 346.452 3.113 50 0 EGAAMO COc1ccc(C[N@@H+](Cc2ccc(F)cc2)C[C@@H]2CCCO2)cn1 ZINC000055370011 214313280 /nfs/dbraw/zinc/31/32/80/214313280.db2.gz NRKIZKKWZRICOI-SFHVURJKSA-N 1 1 330.403 3.411 50 0 EGAAMO COc1ccc(C[N@H+](Cc2ccc(F)cc2)C[C@@H]2CCCO2)cn1 ZINC000055370011 214313283 /nfs/dbraw/zinc/31/32/83/214313283.db2.gz NRKIZKKWZRICOI-SFHVURJKSA-N 1 1 330.403 3.411 50 0 EGAAMO CCn1ncnc1[C@H](C)[NH2+]Cc1c(C)cc(C)c(COC(C)=O)c1C ZINC000055360916 214311657 /nfs/dbraw/zinc/31/16/57/214311657.db2.gz GKMIAGNYMHOZLN-HNNXBMFYSA-N 1 1 344.459 3.137 50 0 EGAAMO Cc1noc(C)c1C[N@H+]1CCCN(C(=O)[C@@H](C)c2ccccc2)CC1 ZINC000098211894 219087241 /nfs/dbraw/zinc/08/72/41/219087241.db2.gz XNBVKNGOFFTBKC-HNNXBMFYSA-N 1 1 341.455 3.129 50 0 EGAAMO Cc1noc(C)c1C[N@@H+]1CCCN(C(=O)[C@@H](C)c2ccccc2)CC1 ZINC000098211894 219087243 /nfs/dbraw/zinc/08/72/43/219087243.db2.gz XNBVKNGOFFTBKC-HNNXBMFYSA-N 1 1 341.455 3.129 50 0 EGAAMO CC(C)C[N@H+]1CCC[C@H](CNC(=O)c2cccc3cnccc32)C1 ZINC000067446742 215147478 /nfs/dbraw/zinc/14/74/78/215147478.db2.gz FJVVASITUIBIBR-MRXNPFEDSA-N 1 1 325.456 3.333 50 0 EGAAMO Cc1c[nH+]c(NCc2cccnc2N(C)Cc2ccccc2)nc1N ZINC000067459747 215149180 /nfs/dbraw/zinc/14/91/80/215149180.db2.gz NVRZMWMDSJKRKC-UHFFFAOYSA-N 1 1 334.427 3.011 50 0 EGAAMO Oc1cccc2ccc(C[N@H+]3CCCN(Cc4ccncc4)CC3)nc12 ZINC000067542095 215159640 /nfs/dbraw/zinc/15/96/40/215159640.db2.gz HIJLLVAKIMFWAB-UHFFFAOYSA-N 1 1 348.450 3.043 50 0 EGAAMO Oc1cccc2ccc(CN3CCC[N@H+](Cc4ccncc4)CC3)nc12 ZINC000067542095 215159643 /nfs/dbraw/zinc/15/96/43/215159643.db2.gz HIJLLVAKIMFWAB-UHFFFAOYSA-N 1 1 348.450 3.043 50 0 EGAAMO Oc1cccc2ccc(CN3CCC[N@@H+](Cc4ccncc4)CC3)nc12 ZINC000067542095 215159644 /nfs/dbraw/zinc/15/96/44/215159644.db2.gz HIJLLVAKIMFWAB-UHFFFAOYSA-N 1 1 348.450 3.043 50 0 EGAAMO COc1cc(C)c(-c2nc(CN3CCC(C[NH3+])CC3)c(C)o2)cc1C ZINC000067603796 215166963 /nfs/dbraw/zinc/16/69/63/215166963.db2.gz FGLQGWZTFMGVIA-UHFFFAOYSA-N 1 1 343.471 3.446 50 0 EGAAMO CC1(C)CC(N2CCC[C@H](C(=O)c3ccccn3)C2)CC(C)(C)[NH2+]1 ZINC000067654565 215175711 /nfs/dbraw/zinc/17/57/11/215175711.db2.gz KAMGYWNBURLGCV-HNNXBMFYSA-N 1 1 329.488 3.286 50 0 EGAAMO c1cc(-c2ccc(C[N@H+](Cc3ccccn3)C[C@H]3CCCO3)o2)n[nH]1 ZINC000067673410 215179004 /nfs/dbraw/zinc/17/90/04/215179004.db2.gz GJIIZYJNQZGGLO-MRXNPFEDSA-N 1 1 338.411 3.246 50 0 EGAAMO c1cc(-c2ccc(C[N@@H+](Cc3ccccn3)C[C@H]3CCCO3)o2)n[nH]1 ZINC000067673410 215179006 /nfs/dbraw/zinc/17/90/06/215179006.db2.gz GJIIZYJNQZGGLO-MRXNPFEDSA-N 1 1 338.411 3.246 50 0 EGAAMO Cc1cnccc1-n1nc(-c2ccccc2)nc1CC1=CC[NH2+]CC1 ZINC000067713187 215190353 /nfs/dbraw/zinc/19/03/53/215190353.db2.gz QHWRQUHKNZAJFK-UHFFFAOYSA-N 1 1 331.423 3.100 50 0 EGAAMO Cc1c[nH+]c(NCc2cccnc2N2CCCCCCC2)nc1N ZINC000067790034 215213473 /nfs/dbraw/zinc/21/34/73/215213473.db2.gz WHRXRUKWDGPOGO-UHFFFAOYSA-N 1 1 326.448 3.145 50 0 EGAAMO COc1c(Cl)cc(Cl)cc1C[N@@H+]1CCC[C@@H](CNC(C)=O)C1 ZINC000067834007 215225168 /nfs/dbraw/zinc/22/51/68/215225168.db2.gz RQWQPDAEJKWDMH-LBPRGKRZSA-N 1 1 345.270 3.350 50 0 EGAAMO COc1c(Cl)cc(Cl)cc1C[N@H+]1CCC[C@@H](CNC(C)=O)C1 ZINC000067834007 215225170 /nfs/dbraw/zinc/22/51/70/215225170.db2.gz RQWQPDAEJKWDMH-LBPRGKRZSA-N 1 1 345.270 3.350 50 0 EGAAMO O=C(NC[C@H]1CC[N@@H+](Cc2ccccn2)C1)Nc1ccccc1Cl ZINC000067934960 215253595 /nfs/dbraw/zinc/25/35/95/215253595.db2.gz FOPWUPCANXCCBK-CQSZACIVSA-N 1 1 344.846 3.379 50 0 EGAAMO O=C(CCc1cc(Cl)no1)NC[C@@H]1CCC[N@H+](C2CCCC2)C1 ZINC000067946830 215256303 /nfs/dbraw/zinc/25/63/03/215256303.db2.gz WIFWLFHIXCTEFV-ZDUSSCGKSA-N 1 1 339.867 3.031 50 0 EGAAMO COc1ccccc1-c1cccc(C(=O)NC[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000067975323 215265561 /nfs/dbraw/zinc/26/55/61/215265561.db2.gz FFZYDWPIVXOHLG-INIZCTEOSA-N 1 1 338.451 3.434 50 0 EGAAMO CC(C)C[N@H+]1CCN(Cc2ccc(C(F)(F)F)cc2)C[C@H]1CCO ZINC000104479472 219389066 /nfs/dbraw/zinc/38/90/66/219389066.db2.gz PXVZAMYRIVDFQH-QGZVFWFLSA-N 1 1 344.421 3.230 50 0 EGAAMO O=C(C[N@@H+]1CCC[C@H](Nc2ccc(F)cc2)C1)N1CCCCCC1 ZINC000072121577 216014136 /nfs/dbraw/zinc/01/41/36/216014136.db2.gz VZOIVYIJPYBVRU-SFHVURJKSA-N 1 1 333.451 3.105 50 0 EGAAMO O=C1NC[C@@]2(CCC[N@@H+](Cc3cccc(-c4ccccn4)c3)CC2)O1 ZINC000072146045 216032504 /nfs/dbraw/zinc/03/25/04/216032504.db2.gz GBOVYJYZCBDVAC-FQEVSTJZSA-N 1 1 337.423 3.213 50 0 EGAAMO C[N@@H+](Cc1cccc2ncccc12)CC(C)(C)CN1CCOCC1 ZINC000072140417 216027956 /nfs/dbraw/zinc/02/79/56/216027956.db2.gz LYKUAWZMWZVXPN-UHFFFAOYSA-N 1 1 327.472 3.025 50 0 EGAAMO Cc1cccc(NC(=O)N2CCCC[C@H]2CC[NH+]2CCOCC2)c1C ZINC000072149487 216036369 /nfs/dbraw/zinc/03/63/69/216036369.db2.gz BANXFQRIJYQAEO-SFHVURJKSA-N 1 1 345.487 3.412 50 0 EGAAMO Cc1cc(N2CCCN(Cc3ccnc(C(C)C)n3)CC2)cc[nH+]1 ZINC000072149252 216037106 /nfs/dbraw/zinc/03/71/06/216037106.db2.gz URKWMGGZUDFEBY-UHFFFAOYSA-N 1 1 325.460 3.016 50 0 EGAAMO Cc1cc(N[C@@H]2CC[N@H+](C)C[C@@H]2Cc2ccccc2)n2nccc2n1 ZINC000072456649 216242618 /nfs/dbraw/zinc/24/26/18/216242618.db2.gz IOVRGZYCWNLLLU-ZWKOTPCHSA-N 1 1 335.455 3.013 50 0 EGAAMO CC(=O)N(C)[C@@H]1CC[N@H+](Cc2nc(-c3ccccc3Cl)oc2C)C1 ZINC000072480392 216260599 /nfs/dbraw/zinc/26/05/99/216260599.db2.gz AHZXVZHOXWHVFP-CQSZACIVSA-N 1 1 347.846 3.356 50 0 EGAAMO CC(=O)N(C)[C@@H]1CC[N@@H+](Cc2nc(-c3ccccc3Cl)oc2C)C1 ZINC000072480392 216260601 /nfs/dbraw/zinc/26/06/01/216260601.db2.gz AHZXVZHOXWHVFP-CQSZACIVSA-N 1 1 347.846 3.356 50 0 EGAAMO COc1ccccc1[C@@H](CNC(=O)c1ccccc1Cl)[NH+](C)C ZINC000023713734 212391133 /nfs/dbraw/zinc/39/11/33/212391133.db2.gz DQBILIVSDSIHLI-MRXNPFEDSA-N 1 1 332.831 3.381 50 0 EGAAMO COc1ccc(C[N@H+]2CCCN(Cc3cccnc3)CC2)c(C)c1C ZINC000215016217 241102374 /nfs/dbraw/zinc/10/23/74/241102374.db2.gz KPSXFKLBVOHPOX-UHFFFAOYSA-N 1 1 339.483 3.415 50 0 EGAAMO Cc1ccc(CN2CC[NH+](Cc3ccccc3CO)CC2)c(F)c1F ZINC000215222917 241115543 /nfs/dbraw/zinc/11/55/43/241115543.db2.gz FXFFVKLPOLKPHB-UHFFFAOYSA-N 1 1 346.421 3.083 50 0 EGAAMO COc1cc(SC)c(OC)cc1C[N@@H+](C)[C@@H](C)Cc1cnccn1 ZINC000215296936 241118283 /nfs/dbraw/zinc/11/82/83/241118283.db2.gz SVQYJGMCLBKJNY-ZDUSSCGKSA-N 1 1 347.484 3.279 50 0 EGAAMO COc1cccc([C@H]2CC[N@@H+]2Cc2cc3c(c(OC)c2)OCO3)c1 ZINC000215841100 241149488 /nfs/dbraw/zinc/14/94/88/241149488.db2.gz QVJBUPYNIGHJEG-MRXNPFEDSA-N 1 1 327.380 3.380 50 0 EGAAMO COc1cccc([C@H]2CC[N@H+]2Cc2cc3c(c(OC)c2)OCO3)c1 ZINC000215841100 241149492 /nfs/dbraw/zinc/14/94/92/241149492.db2.gz QVJBUPYNIGHJEG-MRXNPFEDSA-N 1 1 327.380 3.380 50 0 EGAAMO C[C@H]1CCCC[N@H+]1C1CN(C(=O)c2cc3cc(F)ccc3n2C)C1 ZINC000216259435 241176532 /nfs/dbraw/zinc/17/65/32/241176532.db2.gz QPDCTPVAJFKEIC-ZDUSSCGKSA-N 1 1 329.419 3.016 50 0 EGAAMO Cc1ccccc1-n1cc(C[NH+]2CCC(Oc3ncccn3)CC2)cn1 ZINC000216358718 241185367 /nfs/dbraw/zinc/18/53/67/241185367.db2.gz FDUGVUOOGRIKFS-UHFFFAOYSA-N 1 1 349.438 3.014 50 0 EGAAMO Cn1c2ccccc2nc1C[N@H+](C)Cc1ccccc1Cn1cccn1 ZINC000216446021 241191546 /nfs/dbraw/zinc/19/15/46/241191546.db2.gz NATMKQKUXJEINI-UHFFFAOYSA-N 1 1 345.450 3.450 50 0 EGAAMO Cn1c2ccccc2nc1C[N@@H+](C)Cc1ccccc1Cn1cccn1 ZINC000216446021 241191553 /nfs/dbraw/zinc/19/15/53/241191553.db2.gz NATMKQKUXJEINI-UHFFFAOYSA-N 1 1 345.450 3.450 50 0 EGAAMO CC[N@H+](Cc1cnn(-c2ccccc2OC)c1)C[C@H]1CCCCO1 ZINC000215499371 241127515 /nfs/dbraw/zinc/12/75/15/241127515.db2.gz SYTSXTAKMSKMRI-QGZVFWFLSA-N 1 1 329.444 3.272 50 0 EGAAMO C/C(=C\c1ccco1)CN1CC[N@H+](Cc2ccc(C)o2)[C@@H](CCO)C1 ZINC000020877770 212182102 /nfs/dbraw/zinc/18/21/02/212182102.db2.gz YAVRFSWMIYEWNA-QIPRVMPFSA-N 1 1 344.455 3.153 50 0 EGAAMO C/C(=C\c1ccco1)CN1CC[N@@H+](Cc2ccc(C)o2)[C@@H](CCO)C1 ZINC000020877770 212182106 /nfs/dbraw/zinc/18/21/06/212182106.db2.gz YAVRFSWMIYEWNA-QIPRVMPFSA-N 1 1 344.455 3.153 50 0 EGAAMO COc1ccccc1/C=C/CN1CC[N@@H+](CCC(C)C)[C@@H](CCO)C1 ZINC000020913998 212185652 /nfs/dbraw/zinc/18/56/52/212185652.db2.gz FHWLUPWASBPFNA-IEJURRBGSA-N 1 1 346.515 3.123 50 0 EGAAMO OCC1(CO)CCC[N@@H+](Cc2cccc3c4ccccc4oc32)C1 ZINC000243892986 243028969 /nfs/dbraw/zinc/02/89/69/243028969.db2.gz ANFCUZIHXOLCHC-UHFFFAOYSA-N 1 1 325.408 3.153 50 0 EGAAMO Cc1[nH+]ccn1[C@H](C)CC(=O)NCCc1nc2ccccc2s1 ZINC000243892732 243030080 /nfs/dbraw/zinc/03/00/80/243030080.db2.gz AKERQIVACTUKIQ-GFCCVEGCSA-N 1 1 328.441 3.111 50 0 EGAAMO Cc1ccn(CC[NH+]2CCC(c3nc4ccc(F)cc4[nH]3)CC2)n1 ZINC000244685631 243057630 /nfs/dbraw/zinc/05/76/30/243057630.db2.gz ITRFXOZWEAKGNM-UHFFFAOYSA-N 1 1 327.407 3.087 50 0 EGAAMO OCC[C@@H]1CN(Cc2cc(F)ccc2F)CC[N@H+]1C1CCCCC1 ZINC000020450997 212130202 /nfs/dbraw/zinc/13/02/02/212130202.db2.gz JBHCUQJQQPAWDB-GOSISDBHSA-N 1 1 338.442 3.166 50 0 EGAAMO Cc1ccc(-c2noc(CN3CC[NH+](Cc4ccccc4)CC3)n2)cc1 ZINC000019849747 212076019 /nfs/dbraw/zinc/07/60/19/212076019.db2.gz XMGVPWCHNGIRGA-UHFFFAOYSA-N 1 1 348.450 3.363 50 0 EGAAMO Cc1[nH]c2ccc(OCC(C)C)cc2c(=O)c1CN1CC[NH+](C)CC1 ZINC000019793632 212068699 /nfs/dbraw/zinc/06/86/99/212068699.db2.gz IXWPOKDRKFZZOB-UHFFFAOYSA-N 1 1 343.471 3.031 50 0 EGAAMO CN(C(=O)/C=C/c1cccnc1)[C@@H]1CCC[N@@H+](CCc2ccccc2)C1 ZINC000012308160 211341702 /nfs/dbraw/zinc/34/17/02/211341702.db2.gz IYGQQGPQDRDOGC-RJRNSMGGSA-N 1 1 349.478 3.260 50 0 EGAAMO CC(=O)CCC(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1ccc(F)cc1)C2 ZINC000012076504 211288412 /nfs/dbraw/zinc/28/84/12/211288412.db2.gz LVVCXWRYKIFSKO-FQEVSTJZSA-N 1 1 346.446 3.009 50 0 EGAAMO COc1ccc(Cl)cc1C(=O)[C@@H]1CCC[N@H+](Cc2cnn(C)c2)C1 ZINC000012074780 211286811 /nfs/dbraw/zinc/28/68/11/211286811.db2.gz MODATAWAMRABBO-CQSZACIVSA-N 1 1 347.846 3.177 50 0 EGAAMO COc1ccc(Cl)cc1C(=O)[C@@H]1CCC[N@@H+](Cc2cnn(C)c2)C1 ZINC000012074780 211286814 /nfs/dbraw/zinc/28/68/14/211286814.db2.gz MODATAWAMRABBO-CQSZACIVSA-N 1 1 347.846 3.177 50 0 EGAAMO CCN(C[C@H]1CCC[N@@H+](CCc2cccc(F)c2)C1)C(=O)C1CC1 ZINC000012073218 211286124 /nfs/dbraw/zinc/28/61/24/211286124.db2.gz KCPHCYHSHDDPQX-KRWDZBQOSA-N 1 1 332.463 3.339 50 0 EGAAMO C[C@@H]1C[N@@H+](Cc2cc3ccccc3o2)CC[C@@]1(O)C1CCOCC1 ZINC000091382299 218000402 /nfs/dbraw/zinc/00/04/02/218000402.db2.gz PDDSROYPWKWROA-QRWLVFNGSA-N 1 1 329.440 3.432 50 0 EGAAMO Cc1nc[nH]c1CN(C)C[C@H]1CCC[N@@H+](CCc2ccc(F)cc2)C1 ZINC000011936389 211272957 /nfs/dbraw/zinc/27/29/57/211272957.db2.gz JXSUOKXESLHCFY-GOSISDBHSA-N 1 1 344.478 3.244 50 0 EGAAMO CC(C)C[N@H+]1CC[C@@]2(C1)CCCN(Cc1ccc(F)c(F)c1)C2=O ZINC000011933038 211270482 /nfs/dbraw/zinc/27/04/82/211270482.db2.gz ZTISOVRXLWGJEQ-LJQANCHMSA-N 1 1 336.426 3.435 50 0 EGAAMO C[N@@H+](C[C@H]1CCCN(CCc2ccccc2F)C1)C1CCOCC1 ZINC000011878155 211262882 /nfs/dbraw/zinc/26/28/82/211262882.db2.gz QFDKPXKLRTYTIL-QGZVFWFLSA-N 1 1 334.479 3.191 50 0 EGAAMO CCCc1cc(C(=O)NC[C@@H](c2ccccc2F)[NH+]2CCCC2)[nH]n1 ZINC000091574404 218023863 /nfs/dbraw/zinc/02/38/63/218023863.db2.gz FQAKAPZIBGCKNR-SFHVURJKSA-N 1 1 344.434 3.068 50 0 EGAAMO Cc1[nH]c2c(c1CC(=O)N1C[C@H]3CC[C@@H]1C[N@@H+](C)C3)c(C)ccc2C ZINC000091690806 218048012 /nfs/dbraw/zinc/04/80/12/218048012.db2.gz OVOITMHWJFGWBZ-DLBZAZTESA-N 1 1 339.483 3.188 50 0 EGAAMO Cc1cccc(C[N@H+]2C[C@H]3CC[C@@H](C2)C(=O)N3Cc2ccccc2)n1 ZINC000091725173 218054791 /nfs/dbraw/zinc/05/47/91/218054791.db2.gz FZARPWODKMDPNP-AZUAARDMSA-N 1 1 335.451 3.013 50 0 EGAAMO COCC[C@@]1(CO)CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)C1 ZINC000092080931 218117002 /nfs/dbraw/zinc/11/70/02/218117002.db2.gz SMBHHXOYERPUSV-INIZCTEOSA-N 1 1 331.378 3.316 50 0 EGAAMO Brc1c[nH+]ccc1N1CCN(Cc2ccccc2)CC1 ZINC000095080915 218275221 /nfs/dbraw/zinc/27/52/21/218275221.db2.gz ZRXUNGNLAIKOTP-UHFFFAOYSA-N 1 1 332.245 3.166 50 0 EGAAMO CCCCSc1nc(N2CC(Oc3ccccc3F)C2)cc(N)[nH+]1 ZINC000095355861 218289914 /nfs/dbraw/zinc/28/99/14/218289914.db2.gz LZVFHCOCFARZGV-UHFFFAOYSA-N 1 1 348.447 3.358 50 0 EGAAMO CCCCSc1nc(N)cc(N2CC(Oc3ccccc3F)C2)[nH+]1 ZINC000095355861 218289916 /nfs/dbraw/zinc/28/99/16/218289916.db2.gz LZVFHCOCFARZGV-UHFFFAOYSA-N 1 1 348.447 3.358 50 0 EGAAMO Cc1ccc([C@@H](C(=O)N(C)Cc2cc(C)cc(C)n2)[NH+](C)C)cc1 ZINC000095365591 218298278 /nfs/dbraw/zinc/29/82/78/218298278.db2.gz JZKRHFGCJSTKTA-IBGZPJMESA-N 1 1 325.456 3.268 50 0 EGAAMO Fc1cnccc1N1CCC[C@@H](c2[nH+]ccn2Cc2ccccn2)C1 ZINC000095384901 218317100 /nfs/dbraw/zinc/31/71/00/218317100.db2.gz CSTWZQPFQROEBE-OAHLLOKOSA-N 1 1 337.402 3.245 50 0 EGAAMO CCc1ccc(C[N@H+]2C[C@H]3CC[C@@H]2CN(Cc2cccnc2)C3)nc1 ZINC000095392809 218325059 /nfs/dbraw/zinc/32/50/59/218325059.db2.gz JQTZEWIVJUSHBC-PZJWPPBQSA-N 1 1 336.483 3.135 50 0 EGAAMO CCc1ccc(CN2C[C@H]3CC[C@@H]2C[N@H+](Cc2cccnc2)C3)nc1 ZINC000095392809 218325062 /nfs/dbraw/zinc/32/50/62/218325062.db2.gz JQTZEWIVJUSHBC-PZJWPPBQSA-N 1 1 336.483 3.135 50 0 EGAAMO CCc1ccc(CN2C[C@H]3CC[C@@H]2C[N@@H+](Cc2cccnc2)C3)nc1 ZINC000095392809 218325065 /nfs/dbraw/zinc/32/50/65/218325065.db2.gz JQTZEWIVJUSHBC-PZJWPPBQSA-N 1 1 336.483 3.135 50 0 EGAAMO O=C(C1CCOCC1)N1CC[C@H]2[C@H](CCC[N@H+]2C[C@@H]2CC=CCC2)C1 ZINC000299772461 258085085 /nfs/dbraw/zinc/08/50/85/258085085.db2.gz YOKQNWGLVQSURV-RLLQIKCJSA-N 1 1 346.515 3.082 50 0 EGAAMO Cc1cccc(-c2nc(CNC(=O)[C@]3(C)CC[N@H+](C)C3)cs2)c1 ZINC000299799325 258103031 /nfs/dbraw/zinc/10/30/31/258103031.db2.gz QSYQBEQYBUBZHF-GOSISDBHSA-N 1 1 329.469 3.077 50 0 EGAAMO Cn1cc(C[N@@H+](CCO)Cc2cccs2)c(-c2ccccc2F)n1 ZINC000013593782 258056067 /nfs/dbraw/zinc/05/60/67/258056067.db2.gz IQSAFCOVUWEVTO-UHFFFAOYSA-N 1 1 345.443 3.282 50 0 EGAAMO CCOc1ccc(-c2ccc(C[N@@H+](C)[C@H](C)CC(=O)NC)o2)cc1 ZINC000215968787 258072003 /nfs/dbraw/zinc/07/20/03/258072003.db2.gz PFPGLJSBGZYNBP-CQSZACIVSA-N 1 1 330.428 3.302 50 0 EGAAMO COC(=O)c1c(NC(=O)C[NH+](C)C)sc(C)c1-c1ccccc1 ZINC000013323017 277417795 /nfs/dbraw/zinc/41/77/95/277417795.db2.gz ADNQWBQAFJAVFN-UHFFFAOYSA-N 1 1 332.425 3.010 50 0 EGAAMO Cc1c2cc(Cl)ccc2[nH]c1C[N@@H+]1CC[C@@]2(CN(C)C(=O)O2)C1 ZINC000072432698 280262349 /nfs/dbraw/zinc/26/23/49/280262349.db2.gz AZWPNCNLBLWUNJ-QGZVFWFLSA-N 1 1 333.819 3.156 50 0 EGAAMO Cc1cc([C@@H]2CCC[N@@H+]2Cc2cc(C(N)=O)oc2C(C)(C)C)on1 ZINC000244724689 455275554 /nfs/dbraw/zinc/27/55/54/455275554.db2.gz MYRQONJOXZDNQA-ZDUSSCGKSA-N 1 1 331.416 3.310 50 0 EGAAMO Cc1cc([C@@H]2CCC[N@H+]2Cc2cc(C(N)=O)oc2C(C)(C)C)on1 ZINC000244724689 455275560 /nfs/dbraw/zinc/27/55/60/455275560.db2.gz MYRQONJOXZDNQA-ZDUSSCGKSA-N 1 1 331.416 3.310 50 0 EGAAMO Cc1cccc(COc2ccc(C(=S)N3CC[NH+](C)CC3)cc2)c1 ZINC000000382344 452575638 /nfs/dbraw/zinc/57/56/38/452575638.db2.gz QNQLXGUUNOTGRW-UHFFFAOYSA-N 1 1 340.492 3.497 50 0 EGAAMO CC[NH+]1CCN(c2c(Cl)cccc2NC(=O)c2ccco2)CC1 ZINC000000528737 452614696 /nfs/dbraw/zinc/61/46/96/452614696.db2.gz JDSLZGVSHXLKQO-UHFFFAOYSA-N 1 1 333.819 3.327 50 0 EGAAMO Cc1cccc(C(=O)Nc2ccc(N3CC[NH+](C)CC3)c(F)c2)c1 ZINC000001399221 452660084 /nfs/dbraw/zinc/66/00/84/452660084.db2.gz AZYDRNFYSUPDHW-UHFFFAOYSA-N 1 1 327.403 3.138 50 0 EGAAMO Cc1c(C)n(CC(C)C)c2nc[nH+]c(NCCCn3ccnc3)c12 ZINC000006664162 452966721 /nfs/dbraw/zinc/96/67/21/452966721.db2.gz ISDCVGWRWHRXFG-UHFFFAOYSA-N 1 1 326.448 3.403 50 0 EGAAMO OCCOc1ccccc1C[N@H+]1CCC[C@@H](Nc2ccc(F)cc2)C1 ZINC000014980472 453549705 /nfs/dbraw/zinc/54/97/05/453549705.db2.gz MSCYHVWPIXHPBB-LJQANCHMSA-N 1 1 344.430 3.273 50 0 EGAAMO COc1cccc(C[C@H]2C[N@H+](Cc3ccc4c(c3)CCO4)CCO2)c1 ZINC000015074154 453555309 /nfs/dbraw/zinc/55/53/09/453555309.db2.gz UQVTXMHZNHFEEM-FQEVSTJZSA-N 1 1 339.435 3.074 50 0 EGAAMO COc1cccc(C[C@H]2C[N@@H+](Cc3ccc4c(c3)CCO4)CCO2)c1 ZINC000015074154 453555311 /nfs/dbraw/zinc/55/53/11/453555311.db2.gz UQVTXMHZNHFEEM-FQEVSTJZSA-N 1 1 339.435 3.074 50 0 EGAAMO Cc1ccc([C@@H](CNC(=O)c2cc(-c3ccccc3)on2)[NH+](C)C)o1 ZINC000015860390 453587845 /nfs/dbraw/zinc/58/78/45/453587845.db2.gz COZZVSPTYQPGOE-MRXNPFEDSA-N 1 1 339.395 3.276 50 0 EGAAMO CC[N@H+]1CCC[C@@H](N2CCN(c3cccc(C(F)(F)F)c3)CC2)C1 ZINC000019334945 453656558 /nfs/dbraw/zinc/65/65/58/453656558.db2.gz QYBLDNOQHXMDSP-QGZVFWFLSA-N 1 1 341.421 3.312 50 0 EGAAMO COc1ccc(C[NH+]2CCN(c3cc(C)ccc3C)CC2)cc1O ZINC000023282258 453707926 /nfs/dbraw/zinc/70/79/26/453707926.db2.gz VNOBROJTGVLQPE-UHFFFAOYSA-N 1 1 326.440 3.340 50 0 EGAAMO COc1cc(C[N@H+]2CCC[C@@H](CO)C2)ccc1OCc1ccccc1 ZINC000023281947 453708484 /nfs/dbraw/zinc/70/84/84/453708484.db2.gz UXIQTIAKLOTOFO-LJQANCHMSA-N 1 1 341.451 3.479 50 0 EGAAMO COCc1ccc(C(=O)N2CCCC[C@H]2CCn2cc[nH+]c2C)s1 ZINC000082097324 453923343 /nfs/dbraw/zinc/92/33/43/453923343.db2.gz IGYPLQWRVBWPDE-HNNXBMFYSA-N 1 1 347.484 3.484 50 0 EGAAMO O[C@@H]1CN(c2[nH+]cnc3[nH]ccc32)CC[C@H]1c1ccc2ccccc2c1 ZINC000067771325 453965131 /nfs/dbraw/zinc/96/51/31/453965131.db2.gz UYTUGTQVNMLXFA-PKOBYXMFSA-N 1 1 344.418 3.466 50 0 EGAAMO CCC[N@@H+](C)C[C@]1(O)CCCN(Cc2ccc(C(C)C)cc2)C1=O ZINC000067954739 453983869 /nfs/dbraw/zinc/98/38/69/453983869.db2.gz OUIHLOIMANCAAE-HXUWFJFHSA-N 1 1 332.488 3.005 50 0 EGAAMO Cc1[nH+]ccn1CC[C@H]1CCCCN1C(=O)CCc1ccc(O)cc1 ZINC000077407207 454102652 /nfs/dbraw/zinc/10/26/52/454102652.db2.gz GAYYHIYBJTYYKX-GOSISDBHSA-N 1 1 341.455 3.301 50 0 EGAAMO COc1ccc(OC)c([C@H]2CC[N@@H+](Cc3ccc(N(C)C)nc3)C2)c1 ZINC000077439591 454106465 /nfs/dbraw/zinc/10/64/65/454106465.db2.gz KIOKSQGQKLQFMJ-INIZCTEOSA-N 1 1 341.455 3.154 50 0 EGAAMO CCn1ccnc1C[N@@H+]1CCC[C@]2(CCC(=O)N(CCC(C)C)C2)C1 ZINC000077469720 454109105 /nfs/dbraw/zinc/10/91/05/454109105.db2.gz OAWMZTSLYAFLOE-FQEVSTJZSA-N 1 1 346.519 3.154 50 0 EGAAMO CCn1ccnc1C[N@H+]1CCC[C@]2(CCC(=O)N(CCC(C)C)C2)C1 ZINC000077469720 454109107 /nfs/dbraw/zinc/10/91/07/454109107.db2.gz OAWMZTSLYAFLOE-FQEVSTJZSA-N 1 1 346.519 3.154 50 0 EGAAMO COc1ccc2ccccc2c1C[N@@H+]1C[C@@H](C(C)C)[C@H](NC(C)=O)C1 ZINC000077535944 454119064 /nfs/dbraw/zinc/11/90/64/454119064.db2.gz KURZYTHNFDBRLN-AZUAARDMSA-N 1 1 340.467 3.441 50 0 EGAAMO c1cnn(CC[C@@H]2CCCC[N@H+]2Cc2cnc(-c3ccco3)nc2)c1 ZINC000077565957 454124195 /nfs/dbraw/zinc/12/41/95/454124195.db2.gz LOYLGIATVMEAQM-KRWDZBQOSA-N 1 1 337.427 3.378 50 0 EGAAMO O=C(CCc1ccccn1)N1C[C@H]2CC[C@H](C[N@@H+]2Cc2ccccc2)C1 ZINC000095377974 454198828 /nfs/dbraw/zinc/19/88/28/454198828.db2.gz RDXYEEOTZVZZQM-TZIWHRDSSA-N 1 1 349.478 3.137 50 0 EGAAMO CCn1cc(Cn2cc[nH+]c2[C@@H](C)Cc2ccc3c(c2)OCO3)cn1 ZINC000071714867 454211809 /nfs/dbraw/zinc/21/18/09/454211809.db2.gz RPLPKWSAZRVDAJ-AWEZNQCLSA-N 1 1 338.411 3.223 50 0 EGAAMO COc1ccc(F)c(-c2nc(C[N@H+]3CCC[C@@](C)(O)C3)c(C)o2)c1 ZINC000071748914 454212773 /nfs/dbraw/zinc/21/27/73/454212773.db2.gz AWYUHGCWEZQLQT-GOSISDBHSA-N 1 1 334.391 3.145 50 0 EGAAMO CCCc1oncc1C(=O)N1CCC[N@@H+](CC2CC2)[C@H](C(C)C)C1 ZINC000071759882 454215558 /nfs/dbraw/zinc/21/55/58/454215558.db2.gz BXMITBGNFHFWPN-KRWDZBQOSA-N 1 1 333.476 3.210 50 0 EGAAMO C[C@@H](C[N@H+]1CCc2ccccc2C1)NC(=O)c1ccc2ccn(C)c2c1 ZINC000095523811 454227878 /nfs/dbraw/zinc/22/78/78/454227878.db2.gz PGDFGCJFRSYAGX-INIZCTEOSA-N 1 1 347.462 3.355 50 0 EGAAMO Cc1ccn2cc(C[N@H+]3CCCC[C@H]3CCN3CCCC3=O)nc2c1 ZINC000072164198 454273793 /nfs/dbraw/zinc/27/37/93/454273793.db2.gz YDHBMRFGGGTOBS-SFHVURJKSA-N 1 1 340.471 3.010 50 0 EGAAMO c1ccc([C@H]2CC[N@H+](CCNc3nccc(-c4cccnc4)n3)C2)cc1 ZINC000096180489 454298564 /nfs/dbraw/zinc/29/85/64/454298564.db2.gz FXTBYJYYOILRQR-IBGZPJMESA-N 1 1 345.450 3.440 50 0 EGAAMO Cc1cc(C(=O)N2C[C@H]3CC[C@@H]2C[N@H+](Cc2cccnc2)C3)cs1 ZINC000091319966 454425761 /nfs/dbraw/zinc/42/57/61/454425761.db2.gz YVCWOICYNQCCQM-FUHWJXTLSA-N 1 1 341.480 3.188 50 0 EGAAMO Cc1cc(C(=O)N2C[C@H]3CC[C@@H]2C[N@@H+](Cc2cccnc2)C3)cs1 ZINC000091319966 454425768 /nfs/dbraw/zinc/42/57/68/454425768.db2.gz YVCWOICYNQCCQM-FUHWJXTLSA-N 1 1 341.480 3.188 50 0 EGAAMO Cc1noc(C)c1C[N@H+]1C[C@@H]2CC[C@H](C1)N(C(=O)CC1CCCC1)C2 ZINC000091350917 454430062 /nfs/dbraw/zinc/43/00/62/454430062.db2.gz ALCDAZLUCZVHTN-ZWKOTPCHSA-N 1 1 345.487 3.295 50 0 EGAAMO O=C(CC[N@@H+]1CCC[C@@H](Oc2ccc(F)cc2)C1)Nc1nccs1 ZINC000065370519 454555314 /nfs/dbraw/zinc/55/53/14/454555314.db2.gz UVNNOSOSJVICCR-OAHLLOKOSA-N 1 1 349.431 3.154 50 0 EGAAMO CC(=O)N(CC1=CCC[N@@H+](CCCOc2ccccc2)C1)C1CC1 ZINC000065409870 454561459 /nfs/dbraw/zinc/56/14/59/454561459.db2.gz CLSLFJFPRXKSKK-UHFFFAOYSA-N 1 1 328.456 3.099 50 0 EGAAMO C[N@@H+](CCC(=O)Nc1nccs1)Cc1cc(-c2cccs2)n[nH]1 ZINC000252482672 455808667 /nfs/dbraw/zinc/80/86/67/455808667.db2.gz DLWUBDYBSODTDH-UHFFFAOYSA-N 1 1 347.469 3.055 50 0 EGAAMO COc1ccc(OCCC[N@@H+]2CCCC[C@@H]2c2nc(C)no2)cc1 ZINC000285793626 455917705 /nfs/dbraw/zinc/91/77/05/455917705.db2.gz UWOZZEWOTWPYNM-QGZVFWFLSA-N 1 1 331.416 3.383 50 0 EGAAMO COc1ccc(OCCC[N@H+]2CCCC[C@@H]2c2nc(C)no2)cc1 ZINC000285793626 455917714 /nfs/dbraw/zinc/91/77/14/455917714.db2.gz UWOZZEWOTWPYNM-QGZVFWFLSA-N 1 1 331.416 3.383 50 0 EGAAMO CC[N@@H+](C)C1(CNc2cc(C3CC(O)C3)nc(C)n2)CCCCC1 ZINC000219897512 456036003 /nfs/dbraw/zinc/03/60/03/456036003.db2.gz QKLZYHSHHXLOIJ-UHFFFAOYSA-N 1 1 332.492 3.090 50 0 EGAAMO COc1cccc(C[NH+]2CCN(Cc3coc(C(C)C)n3)CC2)c1 ZINC000222749957 456049878 /nfs/dbraw/zinc/04/98/78/456049878.db2.gz KVBYYLCOXIYIGI-UHFFFAOYSA-N 1 1 329.444 3.124 50 0 EGAAMO CC[N@H+]1CCC[C@H]1CNC(=O)C[C@H](c1ccsc1)n1cccc1 ZINC000263588844 456178493 /nfs/dbraw/zinc/17/84/93/456178493.db2.gz ZEHYKHOEBGWMCH-DLBZAZTESA-N 1 1 331.485 3.130 50 0 EGAAMO Fc1cccc(F)c1-c1c[nH]nc1[C@@H]1CCC[N@@H+](Cc2cc[nH]n2)C1 ZINC000299772642 456780025 /nfs/dbraw/zinc/78/00/25/456780025.db2.gz AOVSKQBTYOKMDY-GFCCVEGCSA-N 1 1 343.381 3.458 50 0 EGAAMO Cc1cc(C(=O)N[C@@H]2CCC[N@H+](Cc3ccc(F)cc3)C2)c(C)n1C ZINC000299774741 456780418 /nfs/dbraw/zinc/78/04/18/456780418.db2.gz IFCZMUMPZLQSIB-GOSISDBHSA-N 1 1 343.446 3.175 50 0 EGAAMO Cc1cc(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccc(F)cc3)C2)c(C)n1C ZINC000299774741 456780423 /nfs/dbraw/zinc/78/04/23/456780423.db2.gz IFCZMUMPZLQSIB-GOSISDBHSA-N 1 1 343.446 3.175 50 0 EGAAMO Cc1ccc([C@H](C(=O)NC(C)(C)Cc2ccc(O)cc2)[NH+](C)C)cc1 ZINC000299769835 456780651 /nfs/dbraw/zinc/78/06/51/456780651.db2.gz RKPMCIKCHDJIMK-LJQANCHMSA-N 1 1 340.467 3.441 50 0 EGAAMO CCOc1ccc(CN(C(=O)NC[C@@H]2CCCC[N@H+]2C)C2CC2)cc1 ZINC000426433658 457829526 /nfs/dbraw/zinc/82/95/26/457829526.db2.gz MTTDSFUOBMKMQP-SFHVURJKSA-N 1 1 345.487 3.244 50 0 EGAAMO COc1ccc(-c2cccc(C(=O)N(C)[C@H]3CC[N@@H+](C)C3)c2)c(F)c1 ZINC000426487743 457840008 /nfs/dbraw/zinc/84/00/08/457840008.db2.gz ZCYQVKCJNYQIAQ-INIZCTEOSA-N 1 1 342.414 3.277 50 0 EGAAMO c1ccc(C[N@@H+]2C[C@H]3CN(c4cnc5ccccc5n4)C[C@H]3C2)cc1 ZINC000480584308 459206587 /nfs/dbraw/zinc/20/65/87/459206587.db2.gz SBUHYKCRRMEXHT-HDICACEKSA-N 1 1 330.435 3.198 50 0 EGAAMO C/C=C/C(=O)N1CC[C@@]2(C1)CCC[N@H+](Cc1cccc(F)c1F)C2 ZINC000534656050 459343321 /nfs/dbraw/zinc/34/33/21/459343321.db2.gz DVNMPQIEHWIDBT-XUYKHGSPSA-N 1 1 334.410 3.355 50 0 EGAAMO C/C=C/C(=O)N1CC[C@@]2(C1)CCC[N@@H+](Cc1cccc(F)c1F)C2 ZINC000534656050 459343326 /nfs/dbraw/zinc/34/33/26/459343326.db2.gz DVNMPQIEHWIDBT-XUYKHGSPSA-N 1 1 334.410 3.355 50 0 EGAAMO FC(F)(F)c1cc(Nc2[nH]cc(C3CC3)[nH+]2)nc(-c2ccncc2)n1 ZINC000585134868 459828179 /nfs/dbraw/zinc/82/81/79/459828179.db2.gz NATNWUKHLFUAIP-UHFFFAOYSA-N 1 1 346.316 3.323 50 0 EGAAMO CN(CCC(=O)Nc1ccc(Cl)cc1)CC[N@@H+](C)C1CCCC1 ZINC000244787837 536306998 /nfs/dbraw/zinc/30/69/98/536306998.db2.gz QEPKKWKZXAJTGW-UHFFFAOYSA-N 1 1 337.895 3.475 50 0 EGAAMO Cc1cc(C)n(CCC[N@H+](C)Cc2cnc(-c3ccco3)nc2)n1 ZINC000670437764 548215809 /nfs/dbraw/zinc/21/58/09/548215809.db2.gz IJVLWSCYUOMTBX-UHFFFAOYSA-N 1 1 325.416 3.072 50 0 EGAAMO COc1cc2c3c(c1OC)-c1cc4c(cc1C[C@@H]3[N@H+](C)CC2)OCO4 ZINC000000338136 560177905 /nfs/dbraw/zinc/17/79/05/560177905.db2.gz WSVWKHTVFGTTKJ-AWEZNQCLSA-N 1 1 339.391 3.185 50 0 biogenic,in-vitro EGAAMO COc1cc2c3c(c1OC)-c1cc4c(cc1C[C@@H]3[N@@H+](C)CC2)OCO4 ZINC000000338136 560177906 /nfs/dbraw/zinc/17/79/06/560177906.db2.gz WSVWKHTVFGTTKJ-AWEZNQCLSA-N 1 1 339.391 3.185 50 0 biogenic,in-vitro EGAAMO Cc1ccccc1CC[N@@H+]1CCC[C@H](CN(C)Cc2ccon2)C1 ZINC000011771843 1291127780 /nfs/dbraw/zinc/12/77/80/1291127780.db2.gz BPXOSEPDYGUWEU-GOSISDBHSA-N 1 1 327.472 3.370 50 0 EGAAMO c1cnn(CC[C@@H]2CCCC[N@@H+]2Cc2nc(-c3cccs3)no2)c1 ZINC000011720532 1291128294 /nfs/dbraw/zinc/12/82/94/1291128294.db2.gz AHGZPGFRPAOLQS-AWEZNQCLSA-N 1 1 343.456 3.439 50 0 EGAAMO c1cnn(CC[C@@H]2CCCC[N@H+]2Cc2nc(-c3cccs3)no2)c1 ZINC000011720532 1291128299 /nfs/dbraw/zinc/12/82/99/1291128299.db2.gz AHGZPGFRPAOLQS-AWEZNQCLSA-N 1 1 343.456 3.439 50 0 EGAAMO CN(C)Cc1ccc(C(=O)N[C@H]2CCC[N@H+](C3CCCCCC3)C2)o1 ZINC000012304139 1291131678 /nfs/dbraw/zinc/13/16/78/1291131678.db2.gz JFRCFCKZRQQABC-INIZCTEOSA-N 1 1 347.503 3.258 50 0 EGAAMO Cc1cc(Cl)ccc1C(=O)[C@@H]1CCCN(c2cc(N)[nH+]cn2)C1 ZINC000071756764 1292267993 /nfs/dbraw/zinc/26/79/93/1292267993.db2.gz CFHFVNDGSPRQIP-GFCCVEGCSA-N 1 1 330.819 3.120 50 0 EGAAMO Cc1[nH+]cn(CCNC(=O)CSC23CC4CC(CC(C4)C2)C3)c1C ZINC000827844405 1292386016 /nfs/dbraw/zinc/38/60/16/1292386016.db2.gz CSJMBXIXCYXFMI-UHFFFAOYSA-N 1 1 347.528 3.318 50 0 EGAAMO CC(C)Cc1cc(C(=O)N2CCC[N@H+](Cc3cccs3)CC2)on1 ZINC000077506161 1292468651 /nfs/dbraw/zinc/46/86/51/1292468651.db2.gz IOPYLJIHVHKZTD-UHFFFAOYSA-N 1 1 347.484 3.283 50 0 EGAAMO CC(C)Cc1cc(C(=O)N2CCC[N@@H+](Cc3cccs3)CC2)on1 ZINC000077506161 1292468656 /nfs/dbraw/zinc/46/86/56/1292468656.db2.gz IOPYLJIHVHKZTD-UHFFFAOYSA-N 1 1 347.484 3.283 50 0 EGAAMO CCOC[C@@H]1CCC[N@H+]1Cc1ccc2cc(NC(C)=O)ccc2n1 ZINC000823318444 1320170104 /nfs/dbraw/zinc/17/01/04/1320170104.db2.gz CDSSCSMDKAIDPO-SFHVURJKSA-N 1 1 327.428 3.194 50 0 EGAAMO CCc1[nH+]ccn1CCC(=O)NCc1nc(-c2ccccc2)cs1 ZINC000823557470 1320186772 /nfs/dbraw/zinc/18/67/72/1320186772.db2.gz RHHBPJJAGRFKMW-UHFFFAOYSA-N 1 1 340.452 3.276 50 0 EGAAMO CC(C)(CN[C@H](Cn1cccn1)c1ccccc1)[NH+]1CCCCC1 ZINC000952962771 1334625780 /nfs/dbraw/zinc/62/57/80/1334625780.db2.gz FXJKXDJFANIUQT-LJQANCHMSA-N 1 1 326.488 3.479 50 0 EGAAMO c1cc2c(nc[nH+]c2N2CCC3(CC2)OCCc2sccc23)[nH]1 ZINC001704313358 1416439064 /nfs/dbraw/zinc/43/90/64/1416439064.db2.gz OIVGJTROJCNNKR-UHFFFAOYSA-N 1 1 326.425 3.088 50 0 EGAAMO OCC[N@@H+](Cc1ncc[nH]1)C[C@@H]1CC1(c1ccccc1)c1ccccc1 ZINC001704330339 1416445547 /nfs/dbraw/zinc/44/55/47/1416445547.db2.gz HZRXFDQHORQVGP-FQEVSTJZSA-N 1 1 347.462 3.210 50 0 EGAAMO OCC[N@H+](Cc1ncc[nH]1)C[C@@H]1CC1(c1ccccc1)c1ccccc1 ZINC001704330339 1416445550 /nfs/dbraw/zinc/44/55/50/1416445550.db2.gz HZRXFDQHORQVGP-FQEVSTJZSA-N 1 1 347.462 3.210 50 0 EGAAMO Cc1c2cc(C)ccc2[nH]c1CN1CC[C@@]2(CO)CCC[N@H+](C)[C@@H]2C1 ZINC001704358618 1416455729 /nfs/dbraw/zinc/45/57/29/1416455729.db2.gz PWKKAWIBQNZQRX-NHCUHLMSSA-N 1 1 341.499 3.063 50 0 EGAAMO Cc1c2cc(C)ccc2[nH]c1C[N@H+]1CC[C@@]2(CO)CCCN(C)[C@@H]2C1 ZINC001704358618 1416455731 /nfs/dbraw/zinc/45/57/31/1416455731.db2.gz PWKKAWIBQNZQRX-NHCUHLMSSA-N 1 1 341.499 3.063 50 0 EGAAMO Cc1c2cc(C)ccc2[nH]c1C[N@@H+]1CC[C@@]2(CO)CCCN(C)[C@@H]2C1 ZINC001704358618 1416455733 /nfs/dbraw/zinc/45/57/33/1416455733.db2.gz PWKKAWIBQNZQRX-NHCUHLMSSA-N 1 1 341.499 3.063 50 0 EGAAMO COc1ccc(F)c(F)c1C[NH+]1CCC(c2ccn(C)c(=O)c2)CC1 ZINC001772814837 1441417748 /nfs/dbraw/zinc/41/77/48/1441417748.db2.gz DPFNLNUPWBEDAK-UHFFFAOYSA-N 1 1 348.393 3.052 50 0 EGAAMO CCn1nc(C)c(C[N@H+](CC)Cc2cnc(NC(C)C)nc2)c1C ZINC000055154721 214280073 /nfs/dbraw/zinc/28/00/73/214280073.db2.gz MFBUOWUUOGTZID-UHFFFAOYSA-N 1 1 330.480 3.152 50 0 EGAAMO CCn1nc(C)c(C[N@@H+](CC)Cc2cnc(NC(C)C)nc2)c1C ZINC000055154721 214280077 /nfs/dbraw/zinc/28/00/77/214280077.db2.gz MFBUOWUUOGTZID-UHFFFAOYSA-N 1 1 330.480 3.152 50 0 EGAAMO Cc1ccc(C[N@@H+](CCCO)Cc2ccc(-n3cncn3)cc2)s1 ZINC000055326845 214308201 /nfs/dbraw/zinc/30/82/01/214308201.db2.gz WFNIQBQLRYITLA-UHFFFAOYSA-N 1 1 342.468 3.022 50 0 EGAAMO O=C(c1cccnc1)[C@H]1CCC[N@@H+](Cc2cc3ccccc3[nH]c2=O)C1 ZINC000067648847 215173298 /nfs/dbraw/zinc/17/32/98/215173298.db2.gz KNYIYDKFPKALQL-KRWDZBQOSA-N 1 1 347.418 3.018 50 0 EGAAMO C[N@@H+](Cc1cnc(N2CCCC2)nc1)Cc1cccc2ncccc12 ZINC000067852239 215231596 /nfs/dbraw/zinc/23/15/96/215231596.db2.gz ZCKHBVHFJFKGBC-UHFFFAOYSA-N 1 1 333.439 3.257 50 0 EGAAMO CCNc1cc[nH+]c(N2CCc3onc(-c4cccc(F)c4)c3C2)n1 ZINC000067956147 215260752 /nfs/dbraw/zinc/26/07/52/215260752.db2.gz DZDALVAFJXKGPB-UHFFFAOYSA-N 1 1 339.374 3.265 50 0 EGAAMO CC(C)=CCN1CC[N@@H+](Cc2cccc3cccnc32)C[C@H]1CCO ZINC000104409448 219385065 /nfs/dbraw/zinc/38/50/65/219385065.db2.gz YCIWFQOYGLJSFL-HXUWFJFHSA-N 1 1 339.483 3.070 50 0 EGAAMO CC(C)=CC[N@@H+]1CCN(Cc2cccc3cccnc32)C[C@H]1CCO ZINC000104409448 219385067 /nfs/dbraw/zinc/38/50/67/219385067.db2.gz YCIWFQOYGLJSFL-HXUWFJFHSA-N 1 1 339.483 3.070 50 0 EGAAMO CC(C)=CC[N@H+]1CCN(Cc2cccc3cccnc32)C[C@H]1CCO ZINC000104409448 219385070 /nfs/dbraw/zinc/38/50/70/219385070.db2.gz YCIWFQOYGLJSFL-HXUWFJFHSA-N 1 1 339.483 3.070 50 0 EGAAMO CC[N@H+]1CCC[C@H]1CNC(=O)c1cc(Br)ccc1Cl ZINC000037975158 213179165 /nfs/dbraw/zinc/17/91/65/213179165.db2.gz JTGJJBGSIMXEEB-NSHDSACASA-N 1 1 345.668 3.317 50 0 EGAAMO OCCOCC[N@H+]1CCC[C@H](CCc2ccccc2C(F)(F)F)C1 ZINC000072121543 216013323 /nfs/dbraw/zinc/01/33/23/216013323.db2.gz FHMHRHMBNCDFCZ-OAHLLOKOSA-N 1 1 345.405 3.359 50 0 EGAAMO c1cn(-c2ccc(C[N@@H+]3CCC[C@H](OCc4ccccn4)C3)cc2)cn1 ZINC000072138729 216026616 /nfs/dbraw/zinc/02/66/16/216026616.db2.gz XSNJNWWXKKZDAC-NRFANRHFSA-N 1 1 348.450 3.449 50 0 EGAAMO Cc1cc(N2CCCN(Cc3cnc(-c4ccco4)nc3)CC2)cc[nH+]1 ZINC000072135608 216025488 /nfs/dbraw/zinc/02/54/88/216025488.db2.gz VEIQDFBLPOSJGK-UHFFFAOYSA-N 1 1 349.438 3.152 50 0 EGAAMO COc1ccccc1[C@@H]1C[N@@H+](Cc2ccncc2)[C@H]2[C@@H]1N1CCC2CC1 ZINC000072150420 216038324 /nfs/dbraw/zinc/03/83/24/216038324.db2.gz KVVFMQHHVSFZNZ-KSEOMHKRSA-N 1 1 349.478 3.152 50 0 EGAAMO COc1ccccc1[C@@H]1CN(Cc2ccncc2)[C@H]2[C@@H]1[NH+]1CCC2CC1 ZINC000072150420 216038326 /nfs/dbraw/zinc/03/83/26/216038326.db2.gz KVVFMQHHVSFZNZ-KSEOMHKRSA-N 1 1 349.478 3.152 50 0 EGAAMO COc1ccccc1N1CC[N@@H+](Cc2cccc3nccnc23)[C@H](C)C1 ZINC000072151794 216039715 /nfs/dbraw/zinc/03/97/15/216039715.db2.gz QURKDMBQQOXCSC-MRXNPFEDSA-N 1 1 348.450 3.349 50 0 EGAAMO Cn1cc(C[NH+]2CCN(c3ccc(Cl)c(Cl)c3)CC2)cn1 ZINC000072151992 216040639 /nfs/dbraw/zinc/04/06/39/216040639.db2.gz XGHPHMSYFHDNDF-UHFFFAOYSA-N 1 1 325.243 3.049 50 0 EGAAMO c1csc(C[N@@H+]2C[C@@H](c3ccccc3)[C@@H]3[C@H]2C2CCN3CC2)n1 ZINC000072150039 216037893 /nfs/dbraw/zinc/03/78/93/216037893.db2.gz GHQIDVCBNYRACR-QXAKKESOSA-N 1 1 325.481 3.205 50 0 EGAAMO c1csc(C[N@H+]2C[C@@H](c3ccccc3)[C@@H]3[C@H]2C2CCN3CC2)n1 ZINC000072150039 216037895 /nfs/dbraw/zinc/03/78/95/216037895.db2.gz GHQIDVCBNYRACR-QXAKKESOSA-N 1 1 325.481 3.205 50 0 EGAAMO OC[C@]1(O)CCC[N@@H+](Cc2ccc(SC3CCCCC3)o2)CC1 ZINC000072156447 216044975 /nfs/dbraw/zinc/04/49/75/216044975.db2.gz ZWZGKHHCWGRWIH-SFHVURJKSA-N 1 1 339.501 3.414 50 0 EGAAMO Cc1nccn1C[C@@H]1CCC[N@@H+](Cc2c[nH]c3cc(=O)ccc-3c2)C1 ZINC000072174545 216064590 /nfs/dbraw/zinc/06/45/90/216064590.db2.gz DITADBCFKMQAFA-MRXNPFEDSA-N 1 1 336.439 3.358 50 0 EGAAMO CCc1cnc(C)nc1N[C@H]1CCC[N@H+](C2Cc3ccccc3C2)C1 ZINC000072422870 216211679 /nfs/dbraw/zinc/21/16/79/216211679.db2.gz FPVWBAAAMBLZAN-IBGZPJMESA-N 1 1 336.483 3.391 50 0 EGAAMO Cn1ncc(C[N@H+]2CCC[C@@H](C(=O)Cc3ccccc3)C2)c1C1CC1 ZINC000072425942 216215826 /nfs/dbraw/zinc/21/58/26/216215826.db2.gz CEUFHYAYZSQEFS-GOSISDBHSA-N 1 1 337.467 3.321 50 0 EGAAMO Cc1[nH+]ccn1CCC(=O)N1CCc2[nH]c3c(cccc3Cl)c2C1 ZINC000072430040 216222685 /nfs/dbraw/zinc/22/26/85/216222685.db2.gz IDJPDDRJNLIHTA-UHFFFAOYSA-N 1 1 342.830 3.301 50 0 EGAAMO Cc1cc2nc(-c3ccccc3)cc(N(C)C[C@]3(C)CC[N@@H+](C)C3)n2n1 ZINC000072433908 216228715 /nfs/dbraw/zinc/22/87/15/216228715.db2.gz MYGYWWCFCQDDJC-OAQYLSRUSA-N 1 1 349.482 3.483 50 0 EGAAMO Cc1[nH]c2c(cccc2C[N@@H+]2CCC[C@@]3(CN(C)C(=O)O3)C2)c1C ZINC000072458410 216243535 /nfs/dbraw/zinc/24/35/35/216243535.db2.gz IHQLRBCPIIEWHP-LJQANCHMSA-N 1 1 327.428 3.201 50 0 EGAAMO Cc1[nH+]ccn1[C@@H](C)C(=O)N1CCc2[nH]c3c(cccc3Cl)c2C1 ZINC000072462967 216245278 /nfs/dbraw/zinc/24/52/78/216245278.db2.gz GIMARADJHMGGPQ-NSHDSACASA-N 1 1 342.830 3.472 50 0 EGAAMO C[C@@H]1CCCC[N@H+]1C1CN(C(=O)c2cccc(CCC(C)(C)O)c2)C1 ZINC000072477091 216255753 /nfs/dbraw/zinc/25/57/53/216255753.db2.gz KACMLYFVFJGRED-MRXNPFEDSA-N 1 1 344.499 3.089 50 0 EGAAMO CC(C)=CC[N@H+]1CCN(Cc2cc3ccccc3[nH]2)C[C@@H]1CCO ZINC000023360684 212370255 /nfs/dbraw/zinc/37/02/55/212370255.db2.gz HKZBLWIFCZADHE-IBGZPJMESA-N 1 1 327.472 3.003 50 0 EGAAMO O[C@@H](C[NH+]1CCOCC1)c1ccc(-c2cccc(-c3cc[nH]n3)c2)cc1 ZINC000023128675 212352369 /nfs/dbraw/zinc/35/23/69/212352369.db2.gz BRPBCCMERDJCED-NRFANRHFSA-N 1 1 349.434 3.109 50 0 EGAAMO Fc1ccc(N2CCC([N@@H+]3CCC[C@H](N4CCCC4)C3)CC2)cc1 ZINC000022851666 212329476 /nfs/dbraw/zinc/32/94/76/212329476.db2.gz YJVOZTFNKNDSMP-FQEVSTJZSA-N 1 1 331.479 3.355 50 0 EGAAMO Fc1ccc(N2CCC([N@H+]3CCC[C@H](N4CCCC4)C3)CC2)cc1 ZINC000022851666 212329479 /nfs/dbraw/zinc/32/94/79/212329479.db2.gz YJVOZTFNKNDSMP-FQEVSTJZSA-N 1 1 331.479 3.355 50 0 EGAAMO CC[NH+]1CCN(Cc2coc3c(Cl)cc(Cl)cc3c2=O)CC1 ZINC000022863663 212328952 /nfs/dbraw/zinc/32/89/52/212328952.db2.gz KFEUNMQGICHNQV-UHFFFAOYSA-N 1 1 341.238 3.237 50 0 EGAAMO Cc1cc(C)n([C@@H]2CC[N@@H+](Cc3nn(C)c4cccc(Cl)c34)C2)n1 ZINC000215122831 241109403 /nfs/dbraw/zinc/10/94/03/241109403.db2.gz WYOYBWFIVLAMGW-CQSZACIVSA-N 1 1 343.862 3.487 50 0 EGAAMO Cc1cc(C)n([C@@H]2CC[N@H+](Cc3nn(C)c4cccc(Cl)c34)C2)n1 ZINC000215122831 241109408 /nfs/dbraw/zinc/10/94/08/241109408.db2.gz WYOYBWFIVLAMGW-CQSZACIVSA-N 1 1 343.862 3.487 50 0 EGAAMO Cc1nc2ccc(Cl)cn2c1C(=O)N(C)CC[N@@H+](C)C1CCCC1 ZINC000215770433 241145008 /nfs/dbraw/zinc/14/50/08/241145008.db2.gz XWXBOEPHJHLUEC-UHFFFAOYSA-N 1 1 348.878 3.243 50 0 EGAAMO C[N@@H+](Cc1ccc(OCC(=O)N2CCCC2)cc1)C1CCSCC1 ZINC000216270228 241177286 /nfs/dbraw/zinc/17/72/86/241177286.db2.gz GEGWCEQBKFDBCQ-UHFFFAOYSA-N 1 1 348.512 3.015 50 0 EGAAMO C[N@H+]1CCN(Cc2cnc(-c3ccccn3)nc2)[C@@H](c2ccccc2)C1 ZINC000216284783 241180292 /nfs/dbraw/zinc/18/02/92/241180292.db2.gz GBKMIIXWBCLEBK-HXUWFJFHSA-N 1 1 345.450 3.027 50 0 EGAAMO CN(C)C[C@@]1(O)CCC[N@H+](CC(c2ccccc2)c2ccccc2)C1 ZINC000216425675 241191082 /nfs/dbraw/zinc/19/10/82/241191082.db2.gz LMJPIZDMUJNKLK-QFIPXVFZSA-N 1 1 338.495 3.207 50 0 EGAAMO CN(C)C[C@@]1(O)CCC[N@@H+](CC(c2ccccc2)c2ccccc2)C1 ZINC000216425675 241191089 /nfs/dbraw/zinc/19/10/89/241191089.db2.gz LMJPIZDMUJNKLK-QFIPXVFZSA-N 1 1 338.495 3.207 50 0 EGAAMO C[N@H+](Cc1ccc2[nH]ccc2c1)C[C@@H]1CC(=O)N(C2CCCC2)C1 ZINC000215498881 241128423 /nfs/dbraw/zinc/12/84/23/241128423.db2.gz AACAPERMIQVGRX-INIZCTEOSA-N 1 1 325.456 3.391 50 0 EGAAMO CCCn1ccnc1CN(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000215563443 241131123 /nfs/dbraw/zinc/13/11/23/241131123.db2.gz ACQJSFZRPAPDKD-IBGZPJMESA-N 1 1 326.488 3.247 50 0 EGAAMO C[NH+]1CCN(Cc2cccc(C(=O)c3cccc(Cl)c3)c2)CC1 ZINC000022028007 212271102 /nfs/dbraw/zinc/27/11/02/212271102.db2.gz OPMNVIIUEWGLIY-UHFFFAOYSA-N 1 1 328.843 3.318 50 0 EGAAMO c1ccc(CO[C@@H]2CCOC[C@H]2Nc2[nH+]ccc3ccccc32)nc1 ZINC000219234944 241370109 /nfs/dbraw/zinc/37/01/09/241370109.db2.gz OYHBNKJBXFQZDG-RTBURBONSA-N 1 1 335.407 3.416 50 0 EGAAMO COc1ccc(CCN(C)[C@@H]2CCC[N@@H+](CC3CC3)C2)cc1OC ZINC000020999342 212197850 /nfs/dbraw/zinc/19/78/50/212197850.db2.gz XBZMBCUPBFQPOP-GOSISDBHSA-N 1 1 332.488 3.053 50 0 EGAAMO COc1ccc(CC[N@H+](C)[C@@H]2CCCN(CC3CC3)C2)cc1OC ZINC000020999342 212197852 /nfs/dbraw/zinc/19/78/52/212197852.db2.gz XBZMBCUPBFQPOP-GOSISDBHSA-N 1 1 332.488 3.053 50 0 EGAAMO COc1ccc(CC[N@@H+](C)[C@@H]2CCCN(CC3CC3)C2)cc1OC ZINC000020999342 212197856 /nfs/dbraw/zinc/19/78/56/212197856.db2.gz XBZMBCUPBFQPOP-GOSISDBHSA-N 1 1 332.488 3.053 50 0 EGAAMO O=C(c1ccccc1Cl)N1CCCC[C@H]1CC[NH+]1CCOCC1 ZINC000020869018 212180638 /nfs/dbraw/zinc/18/06/38/212180638.db2.gz CVDRBVQCNWZOFS-HNNXBMFYSA-N 1 1 336.863 3.057 50 0 EGAAMO O=C(c1ccc(Cl)cc1)N1CCCC[C@H]1CC[NH+]1CCOCC1 ZINC000020869025 212180037 /nfs/dbraw/zinc/18/00/37/212180037.db2.gz LEBVFTWGQBPCBB-KRWDZBQOSA-N 1 1 336.863 3.057 50 0 EGAAMO OC[C@@H]1CCC[N@H+]1Cc1cc(-c2ccccc2)nn1-c1ccccc1 ZINC000020856152 212176662 /nfs/dbraw/zinc/17/66/62/212176662.db2.gz BHHUAQWFKXWFLY-IBGZPJMESA-N 1 1 333.435 3.496 50 0 EGAAMO COCC[C@H]1CCCC[N@H+]1CCC(=O)Nc1cc(F)ccc1F ZINC000244764162 243076269 /nfs/dbraw/zinc/07/62/69/243076269.db2.gz PCJNRAWMPYJEQL-CQSZACIVSA-N 1 1 326.387 3.184 50 0 EGAAMO CC(C)C[C@H]1COCC[N@H+]1CCC(=O)NCc1cccc(Cl)c1 ZINC000244723588 243069452 /nfs/dbraw/zinc/06/94/52/243069452.db2.gz MEDXVSVWHBZIDQ-KRWDZBQOSA-N 1 1 338.879 3.093 50 0 EGAAMO O=C(NC[C@@H]1CCC[N@H+]2CCCC[C@H]12)c1ccc2scnc2c1 ZINC000020426655 212127974 /nfs/dbraw/zinc/12/79/74/212127974.db2.gz ZNCNUUPYSFPONQ-GOEBONIOSA-N 1 1 329.469 3.291 50 0 EGAAMO COc1ccccc1OC1CCN(CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000020255943 212114765 /nfs/dbraw/zinc/11/47/65/212114765.db2.gz WFJDTRRGGJBRGL-QGZVFWFLSA-N 1 1 332.488 3.413 50 0 EGAAMO CCn1cc[nH+]c1N1CCN(C(=O)c2ccc3ccccc3c2)CC1 ZINC000012444572 211385031 /nfs/dbraw/zinc/38/50/31/211385031.db2.gz XNMPNQAKOFGUMW-UHFFFAOYSA-N 1 1 334.423 3.019 50 0 EGAAMO COc1ccc(Cl)cc1C(=O)[C@H]1CCC[N@H+](Cc2cnn(C)c2)C1 ZINC000012074782 211286799 /nfs/dbraw/zinc/28/67/99/211286799.db2.gz MODATAWAMRABBO-AWEZNQCLSA-N 1 1 347.846 3.177 50 0 EGAAMO COc1ccc(Cl)cc1C(=O)[C@H]1CCC[N@@H+](Cc2cnn(C)c2)C1 ZINC000012074782 211286802 /nfs/dbraw/zinc/28/68/02/211286802.db2.gz MODATAWAMRABBO-AWEZNQCLSA-N 1 1 347.846 3.177 50 0 EGAAMO C[N@@H+](CCc1ccccc1)[C@@H]1CCCN(C(=O)CCc2ccco2)C1 ZINC000012075003 211286035 /nfs/dbraw/zinc/28/60/35/211286035.db2.gz IAZMVJDITFHLLZ-LJQANCHMSA-N 1 1 340.467 3.378 50 0 EGAAMO CC(C)[N@H+]1CCC[C@@H](C(=O)N2CCC(OCc3ccccc3)CC2)C1 ZINC000091350714 217996421 /nfs/dbraw/zinc/99/64/21/217996421.db2.gz QTYYORVEFVRALI-LJQANCHMSA-N 1 1 344.499 3.315 50 0 EGAAMO CCc1nc(C)c(CNC(=O)[C@@H](c2ccc(C)cc2)[NH+](C)C)s1 ZINC000091552034 218021203 /nfs/dbraw/zinc/02/12/03/218021203.db2.gz OKPNELPEBWJKCO-QGZVFWFLSA-N 1 1 331.485 3.241 50 0 EGAAMO Cc1ccc(C)c(C(=O)N2C[C@H]3CC[C@H](C[N@@H+]3Cc3ccccn3)C2)c1 ZINC000091551997 218021571 /nfs/dbraw/zinc/02/15/71/218021571.db2.gz BRXQNJSCROQBNS-UYAOXDASSA-N 1 1 349.478 3.435 50 0 EGAAMO O=C(N[C@H]1CCC[N@@H+](CC2CCCCC2)C1)c1cc(C2CC2)on1 ZINC000011774851 211246653 /nfs/dbraw/zinc/24/66/53/211246653.db2.gz GMFPXAHVUIRZCO-INIZCTEOSA-N 1 1 331.460 3.327 50 0 EGAAMO CCC[N@H+]1C[C@H]2CC[C@@H]1CN(C(=O)C(C)(C)Oc1cccc(C)c1)C2 ZINC000091808412 218069937 /nfs/dbraw/zinc/06/99/37/218069937.db2.gz MPKDCNRQTRWZKB-QZTJIDSGSA-N 1 1 344.499 3.485 50 0 EGAAMO Cc1nc(N2CCCCCCC2)ncc1[C@H](C)Nc1cc[nH+]c(N)n1 ZINC000091859565 218078556 /nfs/dbraw/zinc/07/85/56/218078556.db2.gz DXUTXWRIBYFTPV-ZDUSSCGKSA-N 1 1 341.463 3.101 50 0 EGAAMO c1csc(C[NH+]2CCC(c3nccn3Cc3cscn3)CC2)n1 ZINC000091876740 218082133 /nfs/dbraw/zinc/08/21/33/218082133.db2.gz JCYRBPBOEFQHHH-UHFFFAOYSA-N 1 1 345.497 3.224 50 0 EGAAMO CC(C)(C)c1cc(C[N@H+]2CC[C@H](Cc3ccc(CO)cc3)C2)[nH]n1 ZINC000091943842 218092754 /nfs/dbraw/zinc/09/27/54/218092754.db2.gz WWSOKTNCHJVRTB-QGZVFWFLSA-N 1 1 327.472 3.264 50 0 EGAAMO COc1cc(C)c(C[N@H+]2C[C@H]3CC[C@@H](C2)C(=O)N3CC2CC2)cc1C ZINC000095370666 218303363 /nfs/dbraw/zinc/30/33/63/218303363.db2.gz PECGJJWFCHNYRY-PKOBYXMFSA-N 1 1 342.483 3.145 50 0 EGAAMO Fc1cnccc1N1CCC[C@@H](c2[nH+]ccn2Cc2cscn2)C1 ZINC000095376888 218310211 /nfs/dbraw/zinc/31/02/11/218310211.db2.gz VAHQCWHJRZEEIP-CYBMUJFWSA-N 1 1 343.431 3.306 50 0 EGAAMO CCc1cccc(OCCCN(C)C(=O)[C@H]2CCCCC[N@H+]2C)c1 ZINC000095387518 218318986 /nfs/dbraw/zinc/31/89/86/218318986.db2.gz DJPGOKPKMPQUMM-LJQANCHMSA-N 1 1 332.488 3.351 50 0 EGAAMO CCc1[nH+]ccn1CCCNC(=O)c1cccc(-c2ccc(C)nn2)c1 ZINC000426474256 257967273 /nfs/dbraw/zinc/96/72/73/257967273.db2.gz LPBQBDKNVZYGKX-UHFFFAOYSA-N 1 1 349.438 3.031 50 0 EGAAMO COc1cccc([C@H]2CCCCN2C(=O)Cn2c[nH+]c(C)c2C)c1 ZINC000299785002 258092410 /nfs/dbraw/zinc/09/24/10/258092410.db2.gz IMHCJJQOGUNHPI-GOSISDBHSA-N 1 1 327.428 3.262 50 0 EGAAMO COCC[N@H+](Cc1cc(=O)c2cc(C)cc(C)c2[nH]1)C[C@@H]1CCCO1 ZINC000299791966 258097592 /nfs/dbraw/zinc/09/75/92/258097592.db2.gz DIRLVIIETRAXMS-KRWDZBQOSA-N 1 1 344.455 3.185 50 0 EGAAMO COc1ccc2c(c1)[C@@H](NC(=O)CCn1cc[nH+]c1C)CC(C)(C)O2 ZINC000299802984 258105754 /nfs/dbraw/zinc/10/57/54/258105754.db2.gz TWKZOCMFQMBITG-INIZCTEOSA-N 1 1 343.427 3.009 50 0 EGAAMO Cc1cccc2[nH]c(CCNC(=O)[C@@H](C)n3cc[nH+]c3C(C)C)nc21 ZINC000299803116 258105933 /nfs/dbraw/zinc/10/59/33/258105933.db2.gz XDTTUXSSPZPGDS-CQSZACIVSA-N 1 1 339.443 3.111 50 0 EGAAMO O=C(N[C@H]1CCC[N@H+](C2CCCC2)C1)c1cccc(-c2ncc[nH]2)c1 ZINC000299760332 258077394 /nfs/dbraw/zinc/07/73/94/258077394.db2.gz QHFVEFRMDQOGSO-KRWDZBQOSA-N 1 1 338.455 3.214 50 0 EGAAMO Cc1cccc([C@@H](NC(=O)C[N@@H+](C)Cc2ccc(F)cc2)C2CC2)n1 ZINC000299765523 258080610 /nfs/dbraw/zinc/08/06/10/258080610.db2.gz ACQVFVRJDLQGBY-FQEVSTJZSA-N 1 1 341.430 3.228 50 0 EGAAMO Cc1cccc([C@@H](NC(=O)C[N@H+](C)Cc2ccc(F)cc2)C2CC2)n1 ZINC000299765523 258080611 /nfs/dbraw/zinc/08/06/11/258080611.db2.gz ACQVFVRJDLQGBY-FQEVSTJZSA-N 1 1 341.430 3.228 50 0 EGAAMO CO[C@]12CC[N@@H+](Cc3nccn3C3CC3)[C@H]1C[C@@H](OCC1CC1)CC2 ZINC000299767640 258082386 /nfs/dbraw/zinc/08/23/86/258082386.db2.gz JEIDMXBCLMCFRU-CMKODMSKSA-N 1 1 345.487 3.157 50 0 EGAAMO O[C@H]1CCCOC12CCN(c1cc[nH+]c3cc(Cl)ccc31)CC2 ZINC000095375196 285364908 /nfs/dbraw/zinc/36/49/08/285364908.db2.gz KTWLASHDMZVICU-KRWDZBQOSA-N 1 1 332.831 3.399 50 0 EGAAMO CC(=O)N[C@@H]1CN(c2cc(C(F)(F)F)cc(C)[nH+]2)C[C@H]1C(C)C ZINC000077438633 275484938 /nfs/dbraw/zinc/48/49/38/275484938.db2.gz USUSMGKKVSAUOA-UONOGXRCSA-N 1 1 329.366 3.006 50 0 EGAAMO CCC[C@H](C)C[NH+]1CCC2(CCC(=O)N(CCc3cnc[nH]3)C2)CC1 ZINC000091964969 276039630 /nfs/dbraw/zinc/03/96/30/276039630.db2.gz RKOCZCCMGJVJBP-KRWDZBQOSA-N 1 1 346.519 3.093 50 0 EGAAMO O[C@@]1(c2ccccc2)CC[N@H+](Cc2nccn2Cc2ccccc2)C1 ZINC000244724587 455276043 /nfs/dbraw/zinc/27/60/43/455276043.db2.gz MWWPNIVWWJVHQG-NRFANRHFSA-N 1 1 333.435 3.025 50 0 EGAAMO O[C@@]1(c2ccccc2)CC[N@@H+](Cc2nccn2Cc2ccccc2)C1 ZINC000244724587 455276047 /nfs/dbraw/zinc/27/60/47/455276047.db2.gz MWWPNIVWWJVHQG-NRFANRHFSA-N 1 1 333.435 3.025 50 0 EGAAMO COc1ccc2c(c1O)-c1c(OC)c(OC)cc3c1[C@@H](C2)[N@H+](C)CC3 ZINC000000056794 452496023 /nfs/dbraw/zinc/49/60/23/452496023.db2.gz QELDJEKNFOQJOY-CYBMUJFWSA-N 1 1 341.407 3.170 50 0 EGAAMO COc1ccc2c(c1O)-c1c(OC)c(OC)cc3c1[C@@H](C2)[N@@H+](C)CC3 ZINC000000056794 452496027 /nfs/dbraw/zinc/49/60/27/452496027.db2.gz QELDJEKNFOQJOY-CYBMUJFWSA-N 1 1 341.407 3.170 50 0 EGAAMO CN(C)c1cc(NC(=O)C[N@H+](C)Cc2ccccc2)c2ccccc2n1 ZINC000000298832 452557339 /nfs/dbraw/zinc/55/73/39/452557339.db2.gz DUHOHLLLGJRMJH-UHFFFAOYSA-N 1 1 348.450 3.371 50 0 EGAAMO CN(C)c1cc(NC(=O)C[N@@H+](C)Cc2ccccc2)c2ccccc2n1 ZINC000000298832 452557354 /nfs/dbraw/zinc/55/73/54/452557354.db2.gz DUHOHLLLGJRMJH-UHFFFAOYSA-N 1 1 348.450 3.371 50 0 EGAAMO Nc1nc(N2CC[NH+](C/C=C/c3ccccc3)CC2)nc2ccccc12 ZINC000000520249 452612552 /nfs/dbraw/zinc/61/25/52/452612552.db2.gz QBIAHEQRVFDFQK-RMKNXTFCSA-N 1 1 345.450 3.047 50 0 EGAAMO CCOc1ccc2[nH]c3c(ncnc3NC[C@@H]3CCC[N@H+]3CC)c2c1 ZINC000000536546 452618166 /nfs/dbraw/zinc/61/81/66/452618166.db2.gz BGJROBRBXVOHEE-ZDUSSCGKSA-N 1 1 339.443 3.406 50 0 EGAAMO Cc1[nH+]ccn1C[C@@H](O)Cn1c2ccc(C)cc2c2c1C(=O)CCC2 ZINC000000572133 452626263 /nfs/dbraw/zinc/62/62/63/452626263.db2.gz YAQZJCBPXRACNR-OAHLLOKOSA-N 1 1 337.423 3.035 50 0 EGAAMO COC(=O)c1[nH]c2cc(C)ccc2c1NC(=O)C[N@H+]1CCCC[C@H]1C ZINC000005163479 452841919 /nfs/dbraw/zinc/84/19/19/452841919.db2.gz CCOUWJDAGIUNQO-CYBMUJFWSA-N 1 1 343.427 3.076 50 0 EGAAMO O=C(C[NH+]1CCCCC1)Nc1ccc(NC(=O)c2cccs2)cc1 ZINC000006243159 452926607 /nfs/dbraw/zinc/92/66/07/452926607.db2.gz HLTYIFHDEHKXKD-UHFFFAOYSA-N 1 1 343.452 3.425 50 0 EGAAMO Cc1cc(C)c(C(=O)N[C@H]2CCC[N@@H+](CCc3ccccc3)C2)o1 ZINC000014967291 453549588 /nfs/dbraw/zinc/54/95/88/453549588.db2.gz OHVWRNRDKKHIDJ-SFHVURJKSA-N 1 1 326.440 3.333 50 0 EGAAMO CCc1ccc(C(=O)N2CC[NH+](CCc3ccccc3)CC2)s1 ZINC000016603727 453615160 /nfs/dbraw/zinc/61/51/60/453615160.db2.gz YKLKNYDTJVGEJP-UHFFFAOYSA-N 1 1 328.481 3.311 50 0 EGAAMO Cc1ccc(-c2cc(C(=O)N3CC[NH+](C)CC3)c3ccccc3n2)o1 ZINC000020407470 453664763 /nfs/dbraw/zinc/66/47/63/453664763.db2.gz GTEMZJQUBGPYFA-UHFFFAOYSA-N 1 1 335.407 3.191 50 0 EGAAMO Clc1cccc(N2CCN([C@@H]3CCC[N@H+](C4CCC4)C3)CC2)c1 ZINC000022892166 453701219 /nfs/dbraw/zinc/70/12/19/453701219.db2.gz PLXCWJYONICORG-LJQANCHMSA-N 1 1 333.907 3.479 50 0 EGAAMO C[N@H+]1CCC[C@@H](CNC(=O)CSC23CC4CC(CC(C4)C2)C3)C1 ZINC000067712665 453959759 /nfs/dbraw/zinc/95/97/59/453959759.db2.gz YTGCHVHINIXYPV-ISOUWHGUSA-N 1 1 336.545 3.146 50 0 EGAAMO Cc1ccsc1C[N@H+]1CCN(Cc2cccs2)[C@H](CCO)C1 ZINC000043154226 454045626 /nfs/dbraw/zinc/04/56/26/454045626.db2.gz HWLXFLLOJFWAJN-OAHLLOKOSA-N 1 1 336.526 3.187 50 0 EGAAMO Cc1cnc(CN2C[C@@]3(CCC[N@H+](CCC(C)C)C3)CCC2=O)cn1 ZINC000077285052 454085938 /nfs/dbraw/zinc/08/59/38/454085938.db2.gz BABQATOKGBUYGF-FQEVSTJZSA-N 1 1 344.503 3.036 50 0 EGAAMO O=C(C[N@H+]1CCCC[C@H]1CCc1cccs1)NCc1ccccn1 ZINC000077423097 454105449 /nfs/dbraw/zinc/10/54/49/454105449.db2.gz RYZTXXJIZZGFFH-KRWDZBQOSA-N 1 1 343.496 3.247 50 0 EGAAMO CCCc1cc(C(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)n(C)n1 ZINC000077505291 454115498 /nfs/dbraw/zinc/11/54/98/454115498.db2.gz JECAUXYQBOPHDC-KRWDZBQOSA-N 1 1 348.878 3.059 50 0 EGAAMO C[NH2+]CCCNCc1ccc(OCc2ccc(Cl)nc2)c(OC)c1 ZINC000057266539 454116351 /nfs/dbraw/zinc/11/63/51/454116351.db2.gz ITPYSZBIMZSFSI-UHFFFAOYSA-N 1 1 349.862 3.022 50 0 EGAAMO CC(C)c1[nH+]ccn1CCCNC(=O)c1ccc(-c2cccnc2)nc1 ZINC000071315138 454205378 /nfs/dbraw/zinc/20/53/78/454205378.db2.gz JQSFWVZRCAISSF-UHFFFAOYSA-N 1 1 349.438 3.284 50 0 EGAAMO Cc1cc(C(=O)N2CCC[N@@H+](CC3CC3)[C@H](C(C)C)C2)ccc1O ZINC000071751314 454213481 /nfs/dbraw/zinc/21/34/81/454213481.db2.gz AWKJDOOUYWPOKM-SFHVURJKSA-N 1 1 330.472 3.283 50 0 EGAAMO Cn1cnnc1Sc1ccc(C[N@@H+]2C[C@@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C2)o1 ZINC000071756962 454214259 /nfs/dbraw/zinc/21/42/59/454214259.db2.gz HAVBYLSJOLOMCM-CUFDPUGPSA-N 1 1 330.457 3.037 50 0 EGAAMO CCn1ccnc1-c1nccn1C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000071753391 454214660 /nfs/dbraw/zinc/21/46/60/454214660.db2.gz LEPMPGYMEQLJNX-GOSISDBHSA-N 1 1 335.455 3.289 50 0 EGAAMO CC(C)[C@H]1C[N@H+](Cc2cccc(Cl)n2)CCC(=O)N1CC1CC1 ZINC000071771383 454216830 /nfs/dbraw/zinc/21/68/30/454216830.db2.gz RUZVBJQETCSWIG-MRXNPFEDSA-N 1 1 335.879 3.204 50 0 EGAAMO CC(C)[C@H]1C[N@@H+](Cc2cccc(Cl)n2)CCC(=O)N1CC1CC1 ZINC000071771383 454216834 /nfs/dbraw/zinc/21/68/34/454216834.db2.gz RUZVBJQETCSWIG-MRXNPFEDSA-N 1 1 335.879 3.204 50 0 EGAAMO Cc1ccc(-c2n[nH]cc2C[N@H+](C[C@H]2CCC(=O)N2)C(C)C)cc1C ZINC000046173724 454224755 /nfs/dbraw/zinc/22/47/55/454224755.db2.gz PIZUUTFIJZJKPK-GOSISDBHSA-N 1 1 340.471 3.183 50 0 EGAAMO C[N@H+]1CCC[C@H](c2nc(-c3ccncc3)nn2Cc2ccccc2)C1 ZINC000095510467 454225444 /nfs/dbraw/zinc/22/54/44/454225444.db2.gz BQAGAPUZTPAMPM-SFHVURJKSA-N 1 1 333.439 3.198 50 0 EGAAMO CC(C)(C)OC(=O)N1CCC[C@]2(C1)C[N@H+](Cc1ccccc1)CCO2 ZINC000095629292 454232121 /nfs/dbraw/zinc/23/21/21/454232121.db2.gz RXAUWISFEYVICK-HXUWFJFHSA-N 1 1 346.471 3.289 50 0 EGAAMO CC(C)(C)OC(=O)N1CCC[C@]2(C1)C[N@@H+](Cc1ccccc1)CCO2 ZINC000095629292 454232122 /nfs/dbraw/zinc/23/21/22/454232122.db2.gz RXAUWISFEYVICK-HXUWFJFHSA-N 1 1 346.471 3.289 50 0 EGAAMO CN(C)C(=O)C[N@H+]1CCC[C@@H](CCc2ccccc2C(F)(F)F)C1 ZINC000072143515 454272904 /nfs/dbraw/zinc/27/29/04/454272904.db2.gz HWLNHAXNLJVOHZ-AWEZNQCLSA-N 1 1 342.405 3.438 50 0 EGAAMO Cc1c2cc(Cl)ccc2[nH]c1C(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000096148917 454293319 /nfs/dbraw/zinc/29/33/19/454293319.db2.gz VJHSYUMIJXZMLH-AWEZNQCLSA-N 1 1 331.847 3.440 50 0 EGAAMO Cc1c2cc(Cl)ccc2[nH]c1C(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000096148917 454293322 /nfs/dbraw/zinc/29/33/22/454293322.db2.gz VJHSYUMIJXZMLH-AWEZNQCLSA-N 1 1 331.847 3.440 50 0 EGAAMO Cc1noc(C)c1C[N@@H+]1CC=C(CNC(=O)C2CCCCC2)CC1 ZINC000065386461 454557853 /nfs/dbraw/zinc/55/78/53/454557853.db2.gz XBYXSMSTRNVNFN-UHFFFAOYSA-N 1 1 331.460 3.120 50 0 EGAAMO CCOc1ccc(-c2c[nH]c(C(C)(C)C[NH+]3CCOCC3)n2)cc1 ZINC000065494520 454577491 /nfs/dbraw/zinc/57/74/91/454577491.db2.gz JGJSAVHMYAHPIZ-UHFFFAOYSA-N 1 1 329.444 3.085 50 0 EGAAMO COC(=O)c1ccc(Cn2c3ccccc3c3c2CC[N@@H+](C)C3)cc1 ZINC000144570595 454849672 /nfs/dbraw/zinc/84/96/72/454849672.db2.gz RMAYYLGDIMEEOS-UHFFFAOYSA-N 1 1 334.419 3.464 50 0 EGAAMO COC(=O)c1ccc(Cn2c3ccccc3c3c2CC[N@H+](C)C3)cc1 ZINC000144570595 454849674 /nfs/dbraw/zinc/84/96/74/454849674.db2.gz RMAYYLGDIMEEOS-UHFFFAOYSA-N 1 1 334.419 3.464 50 0 EGAAMO Cn1cc(C(=O)NC[C@H]2CCC[N@H+]3CCCC[C@@H]23)c2ccccc21 ZINC000170613499 454942006 /nfs/dbraw/zinc/94/20/06/454942006.db2.gz NMAOABNYFXQXKE-QAPCUYQASA-N 1 1 325.456 3.173 50 0 EGAAMO COCCN(C[C@@H]1CCC[N@H+]2CCCC[C@H]12)C(=O)Nc1ccccc1 ZINC000263584897 456178582 /nfs/dbraw/zinc/17/85/82/456178582.db2.gz BWPXMFORXWCKOA-PKOBYXMFSA-N 1 1 345.487 3.431 50 0 biogenic EGAAMO O=C(NCC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ncc(F)cc1F ZINC000299774801 456780387 /nfs/dbraw/zinc/78/03/87/456780387.db2.gz IMSLWHVMIXYBAL-OAHLLOKOSA-N 1 1 345.393 3.002 50 0 EGAAMO Cc1nc(C)c(C(=O)NC[C@H](c2ccc(F)cc2)[NH+]2CCCCC2)o1 ZINC000299773833 456780493 /nfs/dbraw/zinc/78/04/93/456780493.db2.gz GCCLYRMOMUOTRF-QGZVFWFLSA-N 1 1 345.418 3.388 50 0 EGAAMO CCOc1cccc(-c2ccc([C@H](O)C[NH+]3CCOCC3)cc2)c1 ZINC000426371109 457813808 /nfs/dbraw/zinc/81/38/08/457813808.db2.gz OTNCVQZICWJKAE-HXUWFJFHSA-N 1 1 327.424 3.118 50 0 EGAAMO CO[C@]12CC[N@@H+](Cc3nc(-c4cccs4)oc3C)[C@H]1C[C@H](O)CC2 ZINC000426551106 457854586 /nfs/dbraw/zinc/85/45/86/457854586.db2.gz LDHLSLKDQYGYCP-RPVQJOFSSA-N 1 1 348.468 3.216 50 0 EGAAMO CCCCc1ccc(NC(=O)CCN2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000244602057 535090494 /nfs/dbraw/zinc/09/04/94/535090494.db2.gz DWWFJFFUHCDQLF-LJQANCHMSA-N 1 1 329.488 3.138 50 0 EGAAMO C[C@H](CCn1cccn1)[NH2+]CCCc1nc2ccc(Cl)cc2[nH]1 ZINC000584884785 564131461 /nfs/dbraw/zinc/13/14/61/564131461.db2.gz BAIWOOBWCQWLOR-CYBMUJFWSA-N 1 1 331.851 3.414 50 0 EGAAMO c1cc(-c2cn(C[C@@H]3CCC[N@@H+](Cc4ccccn4)C3)nn2)cs1 ZINC000023337238 1291234756 /nfs/dbraw/zinc/23/47/56/1291234756.db2.gz NJEVLVSLFCHTRR-OAHLLOKOSA-N 1 1 339.468 3.314 50 0 EGAAMO Cc1cc(Cl)ccc1C(=O)[C@H]1CCCN(c2cc(N)[nH+]cn2)C1 ZINC000071756765 1292267587 /nfs/dbraw/zinc/26/75/87/1292267587.db2.gz CFHFVNDGSPRQIP-LBPRGKRZSA-N 1 1 330.819 3.120 50 0 EGAAMO C[C@H](Oc1ccccc1F)C(=O)N[C@H]1CC[N@@H+](Cc2ccsc2)C1 ZINC000618256574 1298099258 /nfs/dbraw/zinc/09/92/58/1298099258.db2.gz KAEBKFIOXHOQHY-ZFWWWQNUSA-N 1 1 348.443 3.045 50 0 EGAAMO O=C(N[C@H]1CC[N@@H+](Cc2ccsc2)C1)c1ccc2ncsc2c1 ZINC000618256737 1298100184 /nfs/dbraw/zinc/10/01/84/1298100184.db2.gz LYLAEPUGOKACIA-AWEZNQCLSA-N 1 1 343.477 3.362 50 0 EGAAMO c1ccc2c(c1)CC([N@H+]1CCCN([C@@H]3COc4ccccc4C3)CC1)C2 ZINC000820414968 1319886882 /nfs/dbraw/zinc/88/68/82/1319886882.db2.gz MSPKZHYFOOBRTH-QFIPXVFZSA-N 1 1 348.490 3.165 50 0 EGAAMO CCc1nc2cc(NC(=O)[C@@H]3CCCCC[N@H+]3C)ccc2n1CC ZINC000823582624 1320188460 /nfs/dbraw/zinc/18/84/60/1320188460.db2.gz SLMFVOBIFNNTPR-KRWDZBQOSA-N 1 1 328.460 3.432 50 0 EGAAMO COCCn1cnnc1[C@H](C)[NH2+]Cc1ccc(-c2ccccc2)cc1 ZINC000952861103 1334582926 /nfs/dbraw/zinc/58/29/26/1334582926.db2.gz DDCDQRDYBWMCFT-INIZCTEOSA-N 1 1 336.439 3.442 50 0 EGAAMO Cc1cc(C(=O)N2CCCC2)ccc1NC(=O)C[N@H+](C)C1CCCC1 ZINC000952967344 1334627263 /nfs/dbraw/zinc/62/72/63/1334627263.db2.gz YYLQQLXANVPRQM-UHFFFAOYSA-N 1 1 343.471 3.044 50 0 EGAAMO CC[C@@H]1C=CC[N@@H+]1Cc1ccccc1OCCCCN1CCOCC1 ZINC000952974936 1334628529 /nfs/dbraw/zinc/62/85/29/1334628529.db2.gz XHVILQPGFRFROG-HXUWFJFHSA-N 1 1 344.499 3.328 50 0 EGAAMO CC[C@@H]1C=CC[N@H+]1Cc1ccccc1OCCCCN1CCOCC1 ZINC000952974936 1334628532 /nfs/dbraw/zinc/62/85/32/1334628532.db2.gz XHVILQPGFRFROG-HXUWFJFHSA-N 1 1 344.499 3.328 50 0 EGAAMO CSc1cccc(C[N@@H+]2CCCN(C(=O)c3ccco3)CC2)c1 ZINC000952987424 1334631441 /nfs/dbraw/zinc/63/14/41/1334631441.db2.gz KXJGSVLWUIFWBV-UHFFFAOYSA-N 1 1 330.453 3.350 50 0 EGAAMO CSc1cccc(C[N@H+]2CCCN(C(=O)c3ccco3)CC2)c1 ZINC000952987424 1334631442 /nfs/dbraw/zinc/63/14/42/1334631442.db2.gz KXJGSVLWUIFWBV-UHFFFAOYSA-N 1 1 330.453 3.350 50 0 EGAAMO Cc1ncc(CN(CC[NH+](C)C)Cc2ccc([C@H]3CCCCO3)o2)[nH]1 ZINC001704330079 1416445798 /nfs/dbraw/zinc/44/57/98/1416445798.db2.gz WKOVGIIFAIMTIT-GOSISDBHSA-N 1 1 346.475 3.117 50 0 EGAAMO O[C@@H]1CCC[C@@]12CCC[N@@H+](Cc1ccc3c(c1)OC(F)(F)O3)C2 ZINC001704343265 1416449924 /nfs/dbraw/zinc/44/99/24/1416449924.db2.gz BANKRPSCBLUAHO-CVEARBPZSA-N 1 1 325.355 3.135 50 0 EGAAMO CC(C)n1cc(C[N@H+]2CCC[C@@]3(C4=CCOCC4)COCC[C@H]23)cn1 ZINC001704349629 1416452773 /nfs/dbraw/zinc/45/27/73/1416452773.db2.gz SRTFUSWZVMAKMA-PMACEKPBSA-N 1 1 345.487 3.182 50 0 EGAAMO CC(C)(N)c1nnc(NCC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)o1 ZINC001772706204 1441417165 /nfs/dbraw/zinc/41/71/65/1441417165.db2.gz QOXDXECYCCHQQB-INIZCTEOSA-N 1 1 343.475 3.120 50 0 EGAAMO CC(C)(N)c1nnc(NCC[C@@H]2CCCC[N@H+]2Cc2ccccc2)o1 ZINC001772706204 1441417166 /nfs/dbraw/zinc/41/71/66/1441417166.db2.gz QOXDXECYCCHQQB-INIZCTEOSA-N 1 1 343.475 3.120 50 0 EGAAMO C[C@@H](CCc1c[nH]c2ccccc12)[N@H+]1CCCN(C(=O)C2CC2)CC1 ZINC001772810078 1441417616 /nfs/dbraw/zinc/41/76/16/1441417616.db2.gz HGQNPNFBIQUIQM-INIZCTEOSA-N 1 1 339.483 3.433 50 0 EGAAMO O=C1N[C@H]2CCC[C@@H]1C[N@@H+](CC(c1ccccc1)c1ccccc1)C2 ZINC000097756304 219053589 /nfs/dbraw/zinc/05/35/89/219053589.db2.gz SKPMQRFBQHDQAL-UXHICEINSA-N 1 1 334.463 3.419 50 0 EGAAMO CCN(CCOc1ccc(OC)cc1)C(=O)CC[C@H]1CCC[N@@H+](C)C1 ZINC000055403707 214319800 /nfs/dbraw/zinc/31/98/00/214319800.db2.gz RNNYADYWCLOSIU-QGZVFWFLSA-N 1 1 348.487 3.045 50 0 EGAAMO CCOc1ccc2nc(C[N@@H+](C)[C@@H](C)Cc3cnccn3)ccc2c1 ZINC000097784982 219056622 /nfs/dbraw/zinc/05/66/22/219056622.db2.gz ULWZNJXUGZPWRX-HNNXBMFYSA-N 1 1 336.439 3.487 50 0 EGAAMO C[C@@H](Cc1cnccn1)[N@@H+](C)Cc1ccc(OC(F)(F)F)cc1 ZINC000097785019 219056952 /nfs/dbraw/zinc/05/69/52/219056952.db2.gz MDOVRMMNLOLCAF-LBPRGKRZSA-N 1 1 325.334 3.438 50 0 EGAAMO CN1CCN([C@@H]2CC[N@@H+](CC(c3ccccc3)c3ccccc3)C2)CC1 ZINC000097797543 219057604 /nfs/dbraw/zinc/05/76/04/219057604.db2.gz LGVYQQFDAHBXSO-JOCHJYFZSA-N 1 1 349.522 3.140 50 0 EGAAMO C[C@@H]1CCCC[N@H+]1C[C@H](O)COc1ccc(Br)cc1 ZINC000004279501 210159334 /nfs/dbraw/zinc/15/93/34/210159334.db2.gz PXZKDSWGKAGWIE-OCCSQVGLSA-N 1 1 328.250 3.063 50 0 EGAAMO COCCC(=O)N1CCC[C@]2(CC[N@@H+](Cc3c(C)cccc3C)C2)C1 ZINC000067459622 215149243 /nfs/dbraw/zinc/14/92/43/215149243.db2.gz QOXMMFWGOJPRFW-OAQYLSRUSA-N 1 1 344.499 3.154 50 0 EGAAMO O=C(c1cccnc1)[C@@H]1CCC[N@@H+](Cc2cc3ccccc3[nH]c2=O)C1 ZINC000067648850 215173552 /nfs/dbraw/zinc/17/35/52/215173552.db2.gz KNYIYDKFPKALQL-QGZVFWFLSA-N 1 1 347.418 3.018 50 0 EGAAMO CC(=O)Oc1c(C)cc(C[N@H+](C)Cc2[nH]nc3c2CCCC3)cc1C ZINC000067649188 215173923 /nfs/dbraw/zinc/17/39/23/215173923.db2.gz CJLUZOHJDMXXEF-UHFFFAOYSA-N 1 1 341.455 3.463 50 0 EGAAMO CC(=O)Oc1c(C)cc(C[N@@H+](C)Cc2[nH]nc3c2CCCC3)cc1C ZINC000067649188 215173928 /nfs/dbraw/zinc/17/39/28/215173928.db2.gz CJLUZOHJDMXXEF-UHFFFAOYSA-N 1 1 341.455 3.463 50 0 EGAAMO Cc1ccc(C[N@H+]2CC[C@H](CNC(=O)c3cccc(N)c3)C2)cc1C ZINC000067654966 215175598 /nfs/dbraw/zinc/17/55/98/215175598.db2.gz CJDLUUOUGZXQSF-GOSISDBHSA-N 1 1 337.467 3.138 50 0 EGAAMO COc1cc(C)c(-c2nc(C[NH+]3CCC(O)CC3)c(C)o2)cc1C ZINC000067803302 215214928 /nfs/dbraw/zinc/21/49/28/215214928.db2.gz QJYRKSLLXPKKFF-UHFFFAOYSA-N 1 1 330.428 3.232 50 0 EGAAMO C[N@@H+]1[C@@H]2CC[C@H]1CCN(C(=O)Nc1cc(Cl)nc(Cl)c1)C2 ZINC000067820233 215221886 /nfs/dbraw/zinc/22/18/86/215221886.db2.gz IHHPUNFQOUDPFJ-WDEREUQCSA-N 1 1 329.231 3.089 50 0 EGAAMO COc1cc(C)c(-c2nc(C[N@H+]3CCC[C@H](CO)C3)c(C)o2)cc1C ZINC000067833761 215225118 /nfs/dbraw/zinc/22/51/18/215225118.db2.gz UTHOUWDPZYVBSC-INIZCTEOSA-N 1 1 344.455 3.480 50 0 EGAAMO COC[C@@H]1CCCC[N@H+]1Cc1cnc2c(-c3ccccc3)cnn2c1 ZINC000067895500 215244128 /nfs/dbraw/zinc/24/41/28/215244128.db2.gz OHKZVKROTKVKJC-SFHVURJKSA-N 1 1 336.439 3.397 50 0 EGAAMO CCNC(=O)NC[C@@H]1CC[N@H+](Cc2cc(Cl)cc(Cl)c2)C1 ZINC000067935374 215254307 /nfs/dbraw/zinc/25/43/07/215254307.db2.gz JEBCPLNWMAFWCX-NSHDSACASA-N 1 1 330.259 3.134 50 0 EGAAMO CCNC(=O)NC[C@@H]1CC[N@@H+](Cc2cc(Cl)cc(Cl)c2)C1 ZINC000067935374 215254309 /nfs/dbraw/zinc/25/43/09/215254309.db2.gz JEBCPLNWMAFWCX-NSHDSACASA-N 1 1 330.259 3.134 50 0 EGAAMO Cc1ccccc1-c1cc(O)c2c(c1)C[N@@H+](CCn1ccnc1)CCO2 ZINC000067935430 215254813 /nfs/dbraw/zinc/25/48/13/215254813.db2.gz ROKUYLLRSDIUAT-UHFFFAOYSA-N 1 1 349.434 3.459 50 0 EGAAMO Cc1ccccc1-c1cc(O)c2c(c1)C[N@H+](CCn1ccnc1)CCO2 ZINC000067935430 215254816 /nfs/dbraw/zinc/25/48/16/215254816.db2.gz ROKUYLLRSDIUAT-UHFFFAOYSA-N 1 1 349.434 3.459 50 0 EGAAMO CCOc1ccc(CN2CC[N@@H+](CC(C)(C)C)C[C@H]2CCO)cc1 ZINC000104521209 219392938 /nfs/dbraw/zinc/39/29/38/219392938.db2.gz UOFRSORMUOCZPZ-GOSISDBHSA-N 1 1 334.504 3.000 50 0 EGAAMO CC(C)=CC[N@H+]1CCN(Cc2ccc3ncccc3c2)C[C@@H]1CCO ZINC000039478637 213237257 /nfs/dbraw/zinc/23/72/57/213237257.db2.gz FSXAHIIUDBPKFR-FQEVSTJZSA-N 1 1 339.483 3.070 50 0 EGAAMO CC(C)=CCN1CC[N@H+](Cc2ccc3ncccc3c2)C[C@@H]1CCO ZINC000039478637 213237263 /nfs/dbraw/zinc/23/72/63/213237263.db2.gz FSXAHIIUDBPKFR-FQEVSTJZSA-N 1 1 339.483 3.070 50 0 EGAAMO CC(C)=CCN1CC[N@@H+](Cc2ccc3ncccc3c2)C[C@@H]1CCO ZINC000039478637 213237267 /nfs/dbraw/zinc/23/72/67/213237267.db2.gz FSXAHIIUDBPKFR-FQEVSTJZSA-N 1 1 339.483 3.070 50 0 EGAAMO CCNc1ncc(C[N@H+]2CCC[C@@H](COc3ccc(F)cc3)C2)cn1 ZINC000072131821 216020368 /nfs/dbraw/zinc/02/03/68/216020368.db2.gz PFNWULZZCRCFSJ-OAHLLOKOSA-N 1 1 344.434 3.339 50 0 EGAAMO Cc1nccn1C[C@@H]1CCC[N@@H+](Cc2ccc(Cn3cccn3)cc2)C1 ZINC000072150045 216037736 /nfs/dbraw/zinc/03/77/36/216037736.db2.gz QDUNHZDMQGAKKM-OAQYLSRUSA-N 1 1 349.482 3.349 50 0 EGAAMO Cc1nnsc1C[N@@H+]1CCC[C@@H](C(=O)CCc2ccccc2)C1 ZINC000072153089 216042497 /nfs/dbraw/zinc/04/24/97/216042497.db2.gz QWFZUTZLKQQDFS-MRXNPFEDSA-N 1 1 329.469 3.260 50 0 EGAAMO Cc1nnsc1C[N@H+]1CCC[C@@H](C(=O)CCc2ccccc2)C1 ZINC000072153089 216042498 /nfs/dbraw/zinc/04/24/98/216042498.db2.gz QWFZUTZLKQQDFS-MRXNPFEDSA-N 1 1 329.469 3.260 50 0 EGAAMO c1cc(C[N@@H+]2CCC[C@@H](OCc3cccnc3)C2)n(-c2ccccc2)n1 ZINC000072162804 216052247 /nfs/dbraw/zinc/05/22/47/216052247.db2.gz NEBIPGUSQWXWAO-OAQYLSRUSA-N 1 1 348.450 3.449 50 0 EGAAMO CC[N@@H+](Cc1ccncc1)[C@H]1CCCN(c2noc(C(C)C)n2)C1 ZINC000072166793 216057552 /nfs/dbraw/zinc/05/75/52/216057552.db2.gz XPVDKDWLFITOFX-INIZCTEOSA-N 1 1 329.448 3.079 50 0 EGAAMO Cc1nn(C)c(C)c1C[N@H+]1CCC[C@@H](C(=O)CCc2ccccc2)C1 ZINC000072429922 216221953 /nfs/dbraw/zinc/22/19/53/216221953.db2.gz AIDHAGPBYMQYHW-LJQANCHMSA-N 1 1 339.483 3.451 50 0 EGAAMO CCOc1cc(C)c(C[N@@H+]2CCC[C@@](O)(CN(C)C)C2)cc1C(C)C ZINC000072436278 216231547 /nfs/dbraw/zinc/23/15/47/216231547.db2.gz IHOXWBYPHWEJRV-OAQYLSRUSA-N 1 1 348.531 3.406 50 0 EGAAMO CCOc1cc(C)c(C[N@H+]2CCC[C@@](O)(CN(C)C)C2)cc1C(C)C ZINC000072436278 216231550 /nfs/dbraw/zinc/23/15/50/216231550.db2.gz IHOXWBYPHWEJRV-OAQYLSRUSA-N 1 1 348.531 3.406 50 0 EGAAMO COCCC[N@H+](Cc1coc(-c2ccccc2)n1)C1CCN(C)CC1 ZINC000072457311 216242931 /nfs/dbraw/zinc/24/29/31/216242931.db2.gz JCDUQOHNUUGUHG-UHFFFAOYSA-N 1 1 343.471 3.274 50 0 EGAAMO COCCC[N@@H+](Cc1coc(-c2ccccc2)n1)C1CCN(C)CC1 ZINC000072457311 216242933 /nfs/dbraw/zinc/24/29/33/216242933.db2.gz JCDUQOHNUUGUHG-UHFFFAOYSA-N 1 1 343.471 3.274 50 0 EGAAMO Cn1c(CN2CCCCC2)nnc1[C@@H]1CCC[N@@H+](CC2CCCC2)C1 ZINC000072473646 216250238 /nfs/dbraw/zinc/25/02/38/216250238.db2.gz DKKNWAPLWCXQJF-GOSISDBHSA-N 1 1 345.535 3.171 50 0 EGAAMO C[N@@H+](Cc1nc(-c2cnccn2)no1)C[C@@]1(c2ccccc2)CC1(C)C ZINC000023337693 212368515 /nfs/dbraw/zinc/36/85/15/212368515.db2.gz JKSVHABZUNAUEQ-HXUWFJFHSA-N 1 1 349.438 3.326 50 0 EGAAMO OCc1ccc2c(c1)C[N@@H+](Cc1ccc(-c3cc[nH]n3)s1)CCO2 ZINC000216486622 241195244 /nfs/dbraw/zinc/19/52/44/241195244.db2.gz UDJZEXIPXZBSAU-UHFFFAOYSA-N 1 1 341.436 3.025 50 0 EGAAMO OCc1ccc2c(c1)C[N@H+](Cc1ccc(-c3cc[nH]n3)s1)CCO2 ZINC000216486622 241195248 /nfs/dbraw/zinc/19/52/48/241195248.db2.gz UDJZEXIPXZBSAU-UHFFFAOYSA-N 1 1 341.436 3.025 50 0 EGAAMO COc1ccc(-c2ncc(C[N@@H+](C)CCc3ccccn3)cn2)cc1 ZINC000216456122 241195438 /nfs/dbraw/zinc/19/54/38/241195438.db2.gz RMCNXAFINBSHIL-UHFFFAOYSA-N 1 1 334.423 3.222 50 0 EGAAMO Cc1ccc2nc(SCCC(=O)N[C@H]3CC[N@H+](C)C3)cc(C)c2c1 ZINC000219474480 241386950 /nfs/dbraw/zinc/38/69/50/241386950.db2.gz KXUJTHSDCJWHCH-HNNXBMFYSA-N 1 1 343.496 3.154 50 0 EGAAMO C[C@@H]1CC(C)(C)N(C)c2ccc(C(=S)N3CC[NH+](C)CC3)cc21 ZINC000226854926 242118375 /nfs/dbraw/zinc/11/83/75/242118375.db2.gz ALVKBFQJSMMOTI-CQSZACIVSA-N 1 1 331.529 3.332 50 0 EGAAMO CCC1=NO[C@H](C[N@H+]2CCCN(c3nc4ccccc4s3)CC2)C1 ZINC000244708083 243062584 /nfs/dbraw/zinc/06/25/84/243062584.db2.gz KNCUMQGAMDEMOS-HNNXBMFYSA-N 1 1 344.484 3.363 50 0 EGAAMO CC(C)Oc1cccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000020512279 212142733 /nfs/dbraw/zinc/14/27/33/212142733.db2.gz JAFYMTWWDPYYFA-UHFFFAOYSA-N 1 1 338.451 3.432 50 0 EGAAMO c1cnn(Cc2cccc(C[N@@H+]3CCO[C@H](Cc4ccccc4)C3)c2)c1 ZINC000019792765 212067531 /nfs/dbraw/zinc/06/75/31/212067531.db2.gz LOJZIKHMLGUMEM-JOCHJYFZSA-N 1 1 347.462 3.375 50 0 EGAAMO c1cnn(Cc2cccc(C[N@H+]3CCO[C@H](Cc4ccccc4)C3)c2)c1 ZINC000019792765 212067533 /nfs/dbraw/zinc/06/75/33/212067533.db2.gz LOJZIKHMLGUMEM-JOCHJYFZSA-N 1 1 347.462 3.375 50 0 EGAAMO COc1ccc(CN2CC[NH+](C/C=C/c3ccccc3)CC2)cc1O ZINC000019536573 212038998 /nfs/dbraw/zinc/03/89/98/212038998.db2.gz SYDFLETZUYZDKU-VMPITWQZSA-N 1 1 338.451 3.232 50 0 EGAAMO CN(Cc1ccon1)C[C@@H]1CCC[N@@H+](CCc2ccccc2F)C1 ZINC000019300835 212014412 /nfs/dbraw/zinc/01/44/12/212014412.db2.gz HUHINVUQKXLLCX-INIZCTEOSA-N 1 1 331.435 3.200 50 0 EGAAMO CCc1[nH]c(CN2CCO[C@H](Cc3ccccc3Cl)C2)c(C)[nH+]1 ZINC000012304840 211338787 /nfs/dbraw/zinc/33/87/87/211338787.db2.gz INKXVMDJBUMKBM-OAHLLOKOSA-N 1 1 333.863 3.377 50 0 EGAAMO COCCN1CC[N@@H+](Cc2ccc(-c3ccccc3)cc2)CCC1=O ZINC000012097107 211290720 /nfs/dbraw/zinc/29/07/20/211290720.db2.gz PWHFHFCEUJTFIZ-UHFFFAOYSA-N 1 1 338.451 3.034 50 0 EGAAMO Cc1nnsc1CN1C[C@H]2CC[C@@H]1C[N@@H+](Cc1ccc(F)cc1)C2 ZINC000091593976 218028709 /nfs/dbraw/zinc/02/87/09/218028709.db2.gz LPANITKZPWTJST-DOTOQJQBSA-N 1 1 346.475 3.082 50 0 EGAAMO CCn1cc(C[N@@H+]2CCC[C@H](C(=O)c3ccc(OC)c(F)c3)C2)cn1 ZINC000011707018 211239161 /nfs/dbraw/zinc/23/91/61/211239161.db2.gz JAENILRVNHPTDP-INIZCTEOSA-N 1 1 345.418 3.146 50 0 EGAAMO CCn1cc(C[N@H+]2CCC[C@H](C(=O)c3ccc(OC)c(F)c3)C2)cn1 ZINC000011707018 211239163 /nfs/dbraw/zinc/23/91/63/211239163.db2.gz JAENILRVNHPTDP-INIZCTEOSA-N 1 1 345.418 3.146 50 0 EGAAMO CCOC(=O)C1(C[C@@H]2CCCCO2)CC[NH+](Cc2cccnc2)CC1 ZINC000011817694 211249321 /nfs/dbraw/zinc/24/93/21/211249321.db2.gz FLADMPUUDZEOME-SFHVURJKSA-N 1 1 346.471 3.186 50 0 EGAAMO O=C(NC1CC1)[C@@H]1CCCN(C2CC[NH+](C3CCCCCC3)CC2)C1 ZINC000011817883 211249208 /nfs/dbraw/zinc/24/92/08/211249208.db2.gz VCBQUWVOBWXPCG-QGZVFWFLSA-N 1 1 347.547 3.164 50 0 EGAAMO Cc1c(C[N@H+]2CCC[C@H](C(=O)c3cccc(Cl)c3)C2)cnn1C ZINC000011754243 211242870 /nfs/dbraw/zinc/24/28/70/211242870.db2.gz DBDDNZIWEPKSAH-HNNXBMFYSA-N 1 1 331.847 3.477 50 0 EGAAMO COCCn1ccnc1[C@@H]1CCC[N@@H+](CCCc2ccccc2)C1 ZINC000091860265 218079792 /nfs/dbraw/zinc/07/97/92/218079792.db2.gz BBBGUZWNDGMFDD-LJQANCHMSA-N 1 1 327.472 3.342 50 0 EGAAMO NC(=O)C[C@@H]1CCCC[N@H+]1Cc1ccccc1OCc1ccccc1 ZINC000092588721 218152247 /nfs/dbraw/zinc/15/22/47/218152247.db2.gz HUMPNELPZMVVIA-IBGZPJMESA-N 1 1 338.451 3.496 50 0 EGAAMO Cc1c(C)n(Cc2ccncc2)c2nc[nH+]c(NCc3ccccn3)c12 ZINC000009419211 211081185 /nfs/dbraw/zinc/08/11/85/211081185.db2.gz WAGCXMHFMLPOKT-UHFFFAOYSA-N 1 1 344.422 3.499 50 0 EGAAMO Cc1ccc([C@@H](C(=O)NCc2ccnc3ccccc23)[NH+](C)C)cc1 ZINC000095384023 218316222 /nfs/dbraw/zinc/31/62/22/218316222.db2.gz NZCBYBBVDGSVKX-FQEVSTJZSA-N 1 1 333.435 3.462 50 0 EGAAMO CC(C)c1[nH+]ccn1[C@@H](C)C(=O)NCCCn1ncc2ccccc21 ZINC000095385362 218316697 /nfs/dbraw/zinc/31/66/97/218316697.db2.gz IGFLYZILTGEPGJ-HNNXBMFYSA-N 1 1 339.443 3.124 50 0 EGAAMO COc1ccc(-c2n[nH]cc2C[N@@H+](C)CCC[C@H]2CCCO2)cc1 ZINC000097346777 219014050 /nfs/dbraw/zinc/01/40/50/219014050.db2.gz NQTMBCZSZOZYQJ-SFHVURJKSA-N 1 1 329.444 3.476 50 0 EGAAMO O=C([C@@H]1CCC[N@@H+](Cc2ccc3c(c2)OCO3)C1)N1CCCCCC1 ZINC000004746248 210269004 /nfs/dbraw/zinc/26/90/04/210269004.db2.gz SKOTZEXQVSGLMG-QGZVFWFLSA-N 1 1 344.455 3.030 50 0 EGAAMO Cc1ccc(-c2cccc(C[N@H+](C)CC3(CO)CCOCC3)c2)o1 ZINC000097594978 219037001 /nfs/dbraw/zinc/03/70/01/219037001.db2.gz ZNWJZXNWAWMZET-UHFFFAOYSA-N 1 1 329.440 3.476 50 0 EGAAMO CCCC[N@H+]1CCn2nc(CNc3cc(C)nc(C(C)C)n3)cc2C1 ZINC000299772543 258084564 /nfs/dbraw/zinc/08/45/64/258084564.db2.gz AZLQCLCEXKRXBM-UHFFFAOYSA-N 1 1 342.491 3.333 50 0 EGAAMO CCc1[nH+]ccn1CCC(=O)N[C@@H]1CCCc2cc(OC)ccc21 ZINC000299795863 258100399 /nfs/dbraw/zinc/10/03/99/258100399.db2.gz MPYHTABLCFQKBC-QGZVFWFLSA-N 1 1 327.428 3.038 50 0 EGAAMO CC[C@H](CO)[N@@H+](Cc1cccnc1)Cc1cccc(-n2cccn2)c1 ZINC000055061152 258061036 /nfs/dbraw/zinc/06/10/36/258061036.db2.gz XZWIGPKYVXGOAY-LJQANCHMSA-N 1 1 336.439 3.040 50 0 EGAAMO Cn1cnc(-c2nc([C@H]3C[C@@H](c4ccccc4)[N@H+]4CCC[C@H]34)no2)c1 ZINC000299767300 258082227 /nfs/dbraw/zinc/08/22/27/258082227.db2.gz JONSENSQIHADLD-UAGQMJEPSA-N 1 1 335.411 3.163 50 0 EGAAMO COc1cc(C[NH+]2CCN(c3cc(C)ccc3C)CC2)ccc1O ZINC000055292107 132194722 /nfs/dbraw/zinc/19/47/22/132194722.db2.gz YTCCDDUVWURUKP-UHFFFAOYSA-N 1 1 326.440 3.340 50 0 EGAAMO Cc1ccc([C@@H](C(=O)N2CCC3(CCOCC3)CC2)[NH+](C)C)cc1 ZINC000095381306 292190217 /nfs/dbraw/zinc/19/02/17/292190217.db2.gz TYKLPTSQDCBUMR-SFHVURJKSA-N 1 1 330.472 3.017 50 0 EGAAMO COc1c2c(cc3c1[C@H](C[C@H](O)c1ccccc1)[N@@H+](C)CC3)OCO2 ZINC000000486096 286188681 /nfs/dbraw/zinc/18/86/81/286188681.db2.gz VUJZEAKYGMRHEZ-HOTGVXAUSA-N 1 1 341.407 3.077 50 0 biogenic EGAAMO COc1ccccc1N1C[C@@H]2C[C@@H](c3ccco3)[N@H+]3CCC[C@@]23C1=O ZINC000012438677 274161436 /nfs/dbraw/zinc/16/14/36/274161436.db2.gz PFHYHNMNKSHJTL-UVFQYZLESA-N 1 1 338.407 3.231 50 0 EGAAMO O=C(NC1(c2ccccc2)CC1)N1CC[NH+](Cc2ccccc2)CC1 ZINC000019848233 274979556 /nfs/dbraw/zinc/97/95/56/274979556.db2.gz NXUDEXSNFUOVDI-UHFFFAOYSA-N 1 1 335.451 3.203 50 0 EGAAMO CCC[C@@H](C)C[NH+]1CCC2(CCC(=O)N(CCc3cnc[nH]3)C2)CC1 ZINC000091964964 276021890 /nfs/dbraw/zinc/02/18/90/276021890.db2.gz RKOCZCCMGJVJBP-QGZVFWFLSA-N 1 1 346.519 3.093 50 0 EGAAMO C[N@H+]1CCCC[C@@H]1C(=O)N(CCc1ccccc1)Cc1ccco1 ZINC000097475562 277042872 /nfs/dbraw/zinc/04/28/72/277042872.db2.gz RWHNPTAHUHBYRN-LJQANCHMSA-N 1 1 326.440 3.335 50 0 EGAAMO Cc1ccccc1[C@@H](C(=O)N1CCC2(CCOCC2)CC1)[NH+](C)C ZINC000095518720 302113419 /nfs/dbraw/zinc/11/34/19/302113419.db2.gz FJIIUKWZSOGQKR-SFHVURJKSA-N 1 1 330.472 3.017 50 0 EGAAMO COc1ccc(CN2CCC([N@H+]3CCC[C@H](C)C3)CC2)c(OC)c1 ZINC000000207750 452537877 /nfs/dbraw/zinc/53/78/77/452537877.db2.gz WPZPVCJGLDFIFY-INIZCTEOSA-N 1 1 332.488 3.400 50 0 EGAAMO CC[N@H+]1CC[C@](O)(c2ccc(F)cc2)[C@H](C(=O)c2ccc(F)cc2)C1 ZINC000000269650 452552361 /nfs/dbraw/zinc/55/23/61/452552361.db2.gz BYIGBTSEDRHFEO-ICSRJNTNSA-N 1 1 345.389 3.377 50 0 EGAAMO COc1ccc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@@H+](C)C4)cc1 ZINC000005274689 452855419 /nfs/dbraw/zinc/85/54/19/452855419.db2.gz UHHXHSONRASFFZ-OAHLLOKOSA-N 1 1 329.425 3.174 50 0 EGAAMO COc1ccc([C@H]2Nc3sc4c(c3C(=O)N2)CC[N@H+](C)C4)cc1 ZINC000005274689 452855431 /nfs/dbraw/zinc/85/54/31/452855431.db2.gz UHHXHSONRASFFZ-OAHLLOKOSA-N 1 1 329.425 3.174 50 0 EGAAMO C[C@H](CS(=O)(=O)c1ccc(Br)cc1)[NH+]1CCCCC1 ZINC000008715439 453227067 /nfs/dbraw/zinc/22/70/67/453227067.db2.gz OXWBSVLVLOWPFX-GFCCVEGCSA-N 1 1 346.290 3.097 50 0 EGAAMO O=C(N[C@@H]1CCC[N@@H+](CCc2ccccc2)C1)c1c(F)cccc1F ZINC000012713513 453393458 /nfs/dbraw/zinc/39/34/58/453393458.db2.gz AZGHXJJYTIWWOE-MRXNPFEDSA-N 1 1 344.405 3.402 50 0 EGAAMO CSC[C@@H](C)[N@H+]1CCc2onc(-c3ccc4c(c3)OCO4)c2C1 ZINC000012750591 453399154 /nfs/dbraw/zinc/39/91/54/453399154.db2.gz GAINHCCEARAJRU-LLVKDONJSA-N 1 1 332.425 3.180 50 0 EGAAMO CC1(C)OC(=O)C([C@H]2[NH2+]CCc3c4cc(Cl)ccc4[nH]c32)C(=O)O1 ZINC000013626577 453474162 /nfs/dbraw/zinc/47/41/62/453474162.db2.gz YCURTRQAAQWCBK-CQSZACIVSA-N 1 1 348.786 3.087 50 0 biogenic EGAAMO CCn1ccnc1CN(C)CC1CC[NH+](Cc2ccc(C)o2)CC1 ZINC000015078715 453555077 /nfs/dbraw/zinc/55/50/77/453555077.db2.gz IGJKPRUAXLUSNT-UHFFFAOYSA-N 1 1 330.476 3.148 50 0 EGAAMO CCn1ccnc1C[N@@H+]1CCC[C@](CO)(CCc2ccccc2)C1 ZINC000015078979 453555245 /nfs/dbraw/zinc/55/52/45/453555245.db2.gz WRMFCIQELGZFCJ-FQEVSTJZSA-N 1 1 327.472 3.110 50 0 EGAAMO CCn1ccnc1C[N@H+]1CCC[C@](CO)(CCc2ccccc2)C1 ZINC000015078979 453555250 /nfs/dbraw/zinc/55/52/50/453555250.db2.gz WRMFCIQELGZFCJ-FQEVSTJZSA-N 1 1 327.472 3.110 50 0 EGAAMO COc1ccc(OC)c(NC(=O)NC[C@H]2CC[N@H+](C3CCCC3)C2)c1 ZINC000016622124 453616117 /nfs/dbraw/zinc/61/61/17/453616117.db2.gz HZGRWIJCHDADGU-CQSZACIVSA-N 1 1 347.459 3.090 50 0 EGAAMO COc1cc(NC(=O)C[N@@H+]2CCCC[C@@H]2C)c(OC)cc1Cl ZINC000017066891 453627441 /nfs/dbraw/zinc/62/74/41/453627441.db2.gz IBUSTJXAQZCWAU-NSHDSACASA-N 1 1 326.824 3.170 50 0 EGAAMO COc1cc(NC(=O)C[N@H+]2CCCC[C@@H]2C)c(OC)cc1Cl ZINC000017066891 453627443 /nfs/dbraw/zinc/62/74/43/453627443.db2.gz IBUSTJXAQZCWAU-NSHDSACASA-N 1 1 326.824 3.170 50 0 EGAAMO CC1(C)CNC2(CCN(c3ncc(C(F)(F)F)cc3Cl)CC2)[NH2+]1 ZINC000019327201 453656097 /nfs/dbraw/zinc/65/60/97/453656097.db2.gz SULIKMMARSUTLI-UHFFFAOYSA-N 1 1 348.800 3.022 50 0 EGAAMO O=c1c(C[N@H+]2CCC[C@H](CO)C2)coc2c(Cl)cc(Cl)cc12 ZINC000023281306 453708410 /nfs/dbraw/zinc/70/84/10/453708410.db2.gz MFJASRFPTLMGHA-JTQLQIEISA-N 1 1 342.222 3.304 50 0 EGAAMO O=c1c(C[N@@H+]2CCC[C@H](CO)C2)coc2c(Cl)cc(Cl)cc12 ZINC000023281306 453708414 /nfs/dbraw/zinc/70/84/14/453708414.db2.gz MFJASRFPTLMGHA-JTQLQIEISA-N 1 1 342.222 3.304 50 0 EGAAMO Cc1[nH+]ccn1-c1ccc(C(=O)Nc2ccc(F)c(Cl)c2)nn1 ZINC000075163841 453868276 /nfs/dbraw/zinc/86/82/76/453868276.db2.gz UTQIHTIQYCCFOP-UHFFFAOYSA-N 1 1 331.738 3.016 50 0 EGAAMO CCc1cnc(C)nc1NCc1cc2n(n1)CCC[N@@H+](CC(C)C)C2 ZINC000082108891 453924690 /nfs/dbraw/zinc/92/46/90/453924690.db2.gz WPEFFMNCPDYICU-UHFFFAOYSA-N 1 1 342.491 3.018 50 0 EGAAMO O=C(c1ccoc1)N1CCC[N@H+](CCCOc2ccc(F)cc2)CC1 ZINC000055060045 453958641 /nfs/dbraw/zinc/95/86/41/453958641.db2.gz JAJWVZPKEKYBRF-UHFFFAOYSA-N 1 1 346.402 3.036 50 0 EGAAMO CC(C)CCN1C[C@]2(CCC[N@@H+](Cc3ccccn3)C2)CCC1=O ZINC000077320429 454090794 /nfs/dbraw/zinc/09/07/94/454090794.db2.gz HIGLOFKYOPVLRS-HXUWFJFHSA-N 1 1 329.488 3.332 50 0 EGAAMO COc1ccc(OC)c([C@@H]2CC[N@@H+](Cc3ccc(N(C)C)nc3)C2)c1 ZINC000077439594 454105963 /nfs/dbraw/zinc/10/59/63/454105963.db2.gz KIOKSQGQKLQFMJ-MRXNPFEDSA-N 1 1 341.455 3.154 50 0 EGAAMO COc1c(C)cnc(C[N@H+]2CCCC[C@@H]2CCn2ccnc2)c1C ZINC000077440347 454106390 /nfs/dbraw/zinc/10/63/90/454106390.db2.gz UKLMPUCBRCLRPL-QGZVFWFLSA-N 1 1 328.460 3.348 50 0 EGAAMO c1ccc(OCC[NH+]2CCN(c3nsc4ccccc43)CC2)cc1 ZINC000057151971 454106890 /nfs/dbraw/zinc/10/68/90/454106890.db2.gz LDCVKKDSYOQDTE-UHFFFAOYSA-N 1 1 339.464 3.497 50 0 EGAAMO Cc1ncsc1C(=O)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000077489330 454112438 /nfs/dbraw/zinc/11/24/38/454112438.db2.gz MUZHELSKPDOPBW-UHFFFAOYSA-N 1 1 343.496 3.232 50 0 EGAAMO Cc1nc(C(=O)N2CCC[N@@H+](CCCc3ccccc3)CC2)c(C)o1 ZINC000077522082 454117297 /nfs/dbraw/zinc/11/72/97/454117297.db2.gz GKAUBMFNZHQCET-UHFFFAOYSA-N 1 1 341.455 3.072 50 0 EGAAMO COc1ccc2c(c1)CC[N@H+](Cc1ccc3nsnc3c1)CC2 ZINC000095373162 454199430 /nfs/dbraw/zinc/19/94/30/454199430.db2.gz DTKLTYNRTHPVNL-UHFFFAOYSA-N 1 1 325.437 3.301 50 0 EGAAMO Cc1cc(C(=O)N2CCC[N@@H+](CC3CC3)[C@@H](C(C)C)C2)ccc1O ZINC000071751315 454212722 /nfs/dbraw/zinc/21/27/22/454212722.db2.gz AWKJDOOUYWPOKM-GOSISDBHSA-N 1 1 330.472 3.283 50 0 EGAAMO COc1ccc(-c2nc(C[N@H+](C)C[C@H]3CCCO3)c(C)o2)c(F)c1 ZINC000071748831 454213533 /nfs/dbraw/zinc/21/35/33/454213533.db2.gz WPJJLMMUUNBKNC-CQSZACIVSA-N 1 1 334.391 3.409 50 0 EGAAMO COc1ccc(-c2nc(C[N@@H+](C)C[C@H]3CCCO3)c(C)o2)c(F)c1 ZINC000071748831 454213535 /nfs/dbraw/zinc/21/35/35/454213535.db2.gz WPJJLMMUUNBKNC-CQSZACIVSA-N 1 1 334.391 3.409 50 0 EGAAMO CC(C)[C@H]1CN(C(=O)c2ccc3[nH]cnc3c2)CCC[N@H+]1CC1CC1 ZINC000071756940 454214205 /nfs/dbraw/zinc/21/42/05/454214205.db2.gz NMAYFEYLGVKUKA-LJQANCHMSA-N 1 1 340.471 3.145 50 0 EGAAMO C[C@@H]1CCC[N@@H+](CCCNC(=O)Cc2ccc(Cl)cc2F)C1 ZINC000071754914 454214294 /nfs/dbraw/zinc/21/42/94/454214294.db2.gz VNMQRZLHLWUWCF-CYBMUJFWSA-N 1 1 326.843 3.260 50 0 EGAAMO COc1ccc(-n2cccn2)c(C[N@@H+]2CCc3nc[nH]c3[C@H]2C2CC2)c1 ZINC000071763502 454215087 /nfs/dbraw/zinc/21/50/87/454215087.db2.gz NLJMYOPVUMQPRL-HXUWFJFHSA-N 1 1 349.438 3.113 50 0 EGAAMO COc1ccc(-n2cccn2)c(C[N@H+]2CCc3nc[nH]c3[C@H]2C2CC2)c1 ZINC000071763502 454215093 /nfs/dbraw/zinc/21/50/93/454215093.db2.gz NLJMYOPVUMQPRL-HXUWFJFHSA-N 1 1 349.438 3.113 50 0 EGAAMO CC(C)[C@@H]1C[N@@H+](CCn2ccnc2)CCCN1Cc1ccc(F)cc1 ZINC000071758989 454215601 /nfs/dbraw/zinc/21/56/01/454215601.db2.gz FPHKNANNBCOGBW-FQEVSTJZSA-N 1 1 344.478 3.255 50 0 EGAAMO CC(C)[C@@H]1CN(CCn2ccnc2)CCC[N@@H+]1Cc1ccc(F)cc1 ZINC000071758989 454215603 /nfs/dbraw/zinc/21/56/03/454215603.db2.gz FPHKNANNBCOGBW-FQEVSTJZSA-N 1 1 344.478 3.255 50 0 EGAAMO CC(C)[C@@H]1CN(CCn2ccnc2)CCC[N@H+]1Cc1ccc(F)cc1 ZINC000071758989 454215606 /nfs/dbraw/zinc/21/56/06/454215606.db2.gz FPHKNANNBCOGBW-FQEVSTJZSA-N 1 1 344.478 3.255 50 0 EGAAMO COc1ccc(F)c(-c2nc(C[N@H+](C)CCC(C)(C)O)c(C)o2)c1 ZINC000071764056 454216310 /nfs/dbraw/zinc/21/63/10/454216310.db2.gz WTIMVVIXQJNCQQ-UHFFFAOYSA-N 1 1 336.407 3.391 50 0 EGAAMO COc1ccc(F)c(-c2nc(C[N@@H+](C)CCC(C)(C)O)c(C)o2)c1 ZINC000071764056 454216315 /nfs/dbraw/zinc/21/63/15/454216315.db2.gz WTIMVVIXQJNCQQ-UHFFFAOYSA-N 1 1 336.407 3.391 50 0 EGAAMO O=C1C[C@H]([NH2+]Cc2ccc(Cl)cc2Cl)C(=O)N1c1ccccc1 ZINC000095483053 454220690 /nfs/dbraw/zinc/22/06/90/454220690.db2.gz TYXYPBNKCPYXQD-HNNXBMFYSA-N 1 1 349.217 3.415 50 0 EGAAMO Cc1nn(C)c2nc(NCCC[NH+]3Cc4ccccc4C3)sc12 ZINC000095504808 454224410 /nfs/dbraw/zinc/22/44/10/454224410.db2.gz JBGIRSAAHVWGLX-UHFFFAOYSA-N 1 1 327.457 3.156 50 0 EGAAMO C[N@H+]1C[C@H](c2ccccc2)CC12CCN(C(=O)c1cccnc1)CC2 ZINC000095509037 454225059 /nfs/dbraw/zinc/22/50/59/454225059.db2.gz NIQCCLZNAAWIBI-LJQANCHMSA-N 1 1 335.451 3.176 50 0 EGAAMO O=C(Cn1ccc2ccc(F)cc21)NC[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000096125614 454289523 /nfs/dbraw/zinc/28/95/23/454289523.db2.gz AWJAWEHNGOOJNY-SJLPKXTDSA-N 1 1 343.446 3.161 50 0 EGAAMO CC[N@H+]1CCC[C@@H]1CNC(=O)Nc1ccc(Oc2ccccc2)nc1 ZINC000096151680 454294835 /nfs/dbraw/zinc/29/48/35/454294835.db2.gz WGNUCMCVQAFNJJ-MRXNPFEDSA-N 1 1 340.427 3.480 50 0 EGAAMO O=C(CC1CCCCC1)N1C[C@H]2CC[C@@H]1C[N@@H+](Cc1cccnc1)C2 ZINC000091637011 454453956 /nfs/dbraw/zinc/45/39/56/454453956.db2.gz BAFLNRQPPPWUJL-VQTJNVASSA-N 1 1 341.499 3.475 50 0 EGAAMO CCCCOCC(=O)N1C[C@H]2CC[C@@H]1C[N@@H+](Cc1ccc(F)cc1)C2 ZINC000092020266 454504390 /nfs/dbraw/zinc/50/43/90/454504390.db2.gz JXWTWIVZMJJCLV-PKOBYXMFSA-N 1 1 348.462 3.065 50 0 EGAAMO Cn1cnnc1Sc1ccc(C[N@@H+]2CCC[C@H]2c2ccccn2)o1 ZINC000065468040 454573001 /nfs/dbraw/zinc/57/30/01/454573001.db2.gz CPIXCXJVJRSYNV-HNNXBMFYSA-N 1 1 341.440 3.291 50 0 EGAAMO Cn1cnnc1Sc1ccc(C[N@H+]2CCC[C@H]2c2ccccn2)o1 ZINC000065468040 454573008 /nfs/dbraw/zinc/57/30/08/454573008.db2.gz CPIXCXJVJRSYNV-HNNXBMFYSA-N 1 1 341.440 3.291 50 0 EGAAMO CCn1nc(C)c(NC(=O)C[N@H+](Cc2sccc2C)C2CC2)c1C ZINC000065501217 454578530 /nfs/dbraw/zinc/57/85/30/454578530.db2.gz BJQZNCIWLGPUJR-UHFFFAOYSA-N 1 1 346.500 3.493 50 0 EGAAMO CCn1nc(C)c(NC(=O)C[N@@H+](Cc2sccc2C)C2CC2)c1C ZINC000065501217 454578534 /nfs/dbraw/zinc/57/85/34/454578534.db2.gz BJQZNCIWLGPUJR-UHFFFAOYSA-N 1 1 346.500 3.493 50 0 EGAAMO CCOc1ccccc1NC(=O)CC[N@H+]1CCOC2(CCCC2)C1 ZINC000139797271 454811991 /nfs/dbraw/zinc/81/19/91/454811991.db2.gz JGKDNHSXZDEUFC-UHFFFAOYSA-N 1 1 332.444 3.059 50 0 EGAAMO O=C(NCc1ccoc1)N1CCC[N@@H+](CCCc2ccccc2)CC1 ZINC000171194793 455044038 /nfs/dbraw/zinc/04/40/38/455044038.db2.gz QHSYWCHOUSKZTC-UHFFFAOYSA-N 1 1 341.455 3.130 50 0 EGAAMO CC(C)c1noc([C@@H]2CCC[N@@H+]2CCn2cnc3ccccc32)n1 ZINC000244899635 455278304 /nfs/dbraw/zinc/27/83/04/455278304.db2.gz ZNCXYPKWDQQXQH-INIZCTEOSA-N 1 1 325.416 3.380 50 0 EGAAMO CC(C)c1noc([C@@H]2CCC[N@H+]2CCn2cnc3ccccc32)n1 ZINC000244899635 455278309 /nfs/dbraw/zinc/27/83/09/455278309.db2.gz ZNCXYPKWDQQXQH-INIZCTEOSA-N 1 1 325.416 3.380 50 0 EGAAMO Cc1ccc(C)c(NC(=O)C[NH+]2CCC(O)(c3ccccc3)CC2)c1 ZINC000185487781 455564898 /nfs/dbraw/zinc/56/48/98/455564898.db2.gz AUFGTWBCZLGNQX-UHFFFAOYSA-N 1 1 338.451 3.226 50 0 EGAAMO Cc1c[nH+]ccc1OC1CCN(C(=O)c2ccc(Cl)cn2)CC1 ZINC000278290591 455807981 /nfs/dbraw/zinc/80/79/81/455807981.db2.gz JJABSUYAWPKPSE-UHFFFAOYSA-N 1 1 331.803 3.122 50 0 EGAAMO C[N@@H+](Cc1ccc(OCCn2ccnc2)cc1)C1CCSCC1 ZINC000215907423 456027173 /nfs/dbraw/zinc/02/71/73/456027173.db2.gz JPPSOVHJXKYYIU-UHFFFAOYSA-N 1 1 331.485 3.290 50 0 EGAAMO O=C(NCCc1nccs1)[C@@H](c1ccc(F)cc1)[NH+]1CCCCC1 ZINC000222791980 456050925 /nfs/dbraw/zinc/05/09/25/456050925.db2.gz VMOWXQHOJQMYAQ-QGZVFWFLSA-N 1 1 347.459 3.168 50 0 EGAAMO C[N@H+](CC(=O)[O-])[C@@H]1CCC[NH+]([C@@H]2CCc3c2cccc3Cl)CC1 ZINC000263574761 456174249 /nfs/dbraw/zinc/17/42/49/456174249.db2.gz NXMQOLPHYWKHMD-CXAGYDPISA-N 1 1 336.863 3.198 50 0 EGAAMO C[N@@H+](CC(=O)[O-])[C@@H]1CCC[NH+]([C@@H]2CCc3c2cccc3Cl)CC1 ZINC000263574761 456174252 /nfs/dbraw/zinc/17/42/52/456174252.db2.gz NXMQOLPHYWKHMD-CXAGYDPISA-N 1 1 336.863 3.198 50 0 EGAAMO C[NH+](CC(=O)[O-])[C@@H]1CCC[N@@H+]([C@@H]2CCc3c2cccc3Cl)CC1 ZINC000263574761 456174253 /nfs/dbraw/zinc/17/42/53/456174253.db2.gz NXMQOLPHYWKHMD-CXAGYDPISA-N 1 1 336.863 3.198 50 0 EGAAMO C[NH+](CC(=O)[O-])[C@@H]1CCC[N@H+]([C@@H]2CCc3c2cccc3Cl)CC1 ZINC000263574761 456174256 /nfs/dbraw/zinc/17/42/56/456174256.db2.gz NXMQOLPHYWKHMD-CXAGYDPISA-N 1 1 336.863 3.198 50 0 EGAAMO Cc1cc(NCC[C@H](C)N2CC[NH+](C)CC2)nc2ccc(F)cc12 ZINC000534590175 478160460 /nfs/dbraw/zinc/16/04/60/478160460.db2.gz NDYZCSHRAAPOGE-HNNXBMFYSA-N 1 1 330.451 3.120 50 0 EGAAMO CC[C@@]1(C(N)=O)CCC[N@@H+](Cc2cnc(C3CCCCC3)nc2)C1 ZINC000215138568 536033441 /nfs/dbraw/zinc/03/34/41/536033441.db2.gz COSIKYKXBUSFFF-LJQANCHMSA-N 1 1 330.476 3.002 50 0 EGAAMO COc1ccc(C(=O)CC[NH+]2CCN(c3ccccc3F)CC2)cc1 ZINC000055554747 536681897 /nfs/dbraw/zinc/68/18/97/536681897.db2.gz HEFGKNLDYMMDFI-UHFFFAOYSA-N 1 1 342.414 3.229 50 0 EGAAMO CCCSCC(=O)N1C[C@@H]2CC[C@H]1C[N@@H+](Cc1ccccc1)C2 ZINC000221208009 547244063 /nfs/dbraw/zinc/24/40/63/547244063.db2.gz FDXFQMREUJYQKO-MSOLQXFVSA-N 1 1 332.513 3.253 50 0 EGAAMO CC(C)c1nnc([C@H]2C[N@@H+](Cc3ccc(CO)cc3)C[C@@H]2C2CC2)[nH]1 ZINC000685942272 550456436 /nfs/dbraw/zinc/45/64/36/550456436.db2.gz HLZQUYTXILGCCS-MSOLQXFVSA-N 1 1 340.471 3.046 50 0 EGAAMO CC(C)c1n[nH]c([C@H]2C[N@H+](Cc3ccc(CO)cc3)C[C@@H]2C2CC2)n1 ZINC000685942272 550456437 /nfs/dbraw/zinc/45/64/37/550456437.db2.gz HLZQUYTXILGCCS-MSOLQXFVSA-N 1 1 340.471 3.046 50 0 EGAAMO CC(C)c1n[nH]c([C@H]2C[N@@H+](Cc3ccc(CO)cc3)C[C@@H]2C2CC2)n1 ZINC000685942272 550456440 /nfs/dbraw/zinc/45/64/40/550456440.db2.gz HLZQUYTXILGCCS-MSOLQXFVSA-N 1 1 340.471 3.046 50 0 EGAAMO C[N@H+](Cc1c[nH]nc1-c1cccc2ccccc21)C[C@H]1COCCO1 ZINC000012316909 1291132006 /nfs/dbraw/zinc/13/20/06/1291132006.db2.gz HFIIUTUKNKNYQE-KRWDZBQOSA-N 1 1 337.423 3.077 50 0 EGAAMO Cc1cc(Cl)ccc1C(=O)[C@@H]1CCC[N@H+](Cc2cnc(N)nc2)C1 ZINC000015061704 1291146012 /nfs/dbraw/zinc/14/60/12/1291146012.db2.gz LTTDWQVHGANXKJ-CQSZACIVSA-N 1 1 344.846 3.116 50 0 EGAAMO Cc1cc(Cl)ccc1C(=O)[C@@H]1CCC[N@@H+](Cc2cnc(N)nc2)C1 ZINC000015061704 1291146018 /nfs/dbraw/zinc/14/60/18/1291146018.db2.gz LTTDWQVHGANXKJ-CQSZACIVSA-N 1 1 344.846 3.116 50 0 EGAAMO Cc1ccc2nc(CNC(=O)c3ccc([C@@H]4CCC[NH2+]4)s3)[nH]c2c1 ZINC000023543367 1291236912 /nfs/dbraw/zinc/23/69/12/1291236912.db2.gz VJPLBDWTAWOBQT-ZDUSSCGKSA-N 1 1 340.452 3.287 50 0 EGAAMO Cc1nc(C)c(CC(=O)N[C@@H]2CCC[N@@H+](Cc3cccs3)C2)s1 ZINC000827861543 1292390327 /nfs/dbraw/zinc/39/03/27/1292390327.db2.gz LTRYTXDQZODRCG-CQSZACIVSA-N 1 1 349.525 3.145 50 0 EGAAMO CCc1ccc(C[N@@H+]2CCCN(C(=O)c3ccc(OC)cc3)CC2)o1 ZINC000123211610 1293437924 /nfs/dbraw/zinc/43/79/24/1293437924.db2.gz BSLOTOGRPHFYMA-UHFFFAOYSA-N 1 1 342.439 3.199 50 0 EGAAMO CCc1ccc(C[N@H+]2CCCN(C(=O)c3ccc(OC)cc3)CC2)o1 ZINC000123211610 1293437929 /nfs/dbraw/zinc/43/79/29/1293437929.db2.gz BSLOTOGRPHFYMA-UHFFFAOYSA-N 1 1 342.439 3.199 50 0 EGAAMO O=C(N[C@@H]1CCC[N@@H+](Cc2cccs2)C1)c1ccc(Cl)cn1 ZINC000825562194 1320346524 /nfs/dbraw/zinc/34/65/24/1320346524.db2.gz FBWYTQGKXMXEQZ-CYBMUJFWSA-N 1 1 335.860 3.191 50 0 EGAAMO c1cnn(CCC[N@H+]2CCCN(c3nc4ccccc4s3)CC2)c1 ZINC000952959831 1334624949 /nfs/dbraw/zinc/62/49/49/1334624949.db2.gz XLQOWZIAAAKOBA-UHFFFAOYSA-N 1 1 341.484 3.095 50 0 EGAAMO Cc1nc(C[N@H+]2C[C@@H](Cc3ccc4ccccc4n3)[C@H](O)C2)cs1 ZINC001704300278 1416432855 /nfs/dbraw/zinc/43/28/55/1416432855.db2.gz QQSMHKFUXGXEBF-DNVCBOLYSA-N 1 1 339.464 3.035 50 0 EGAAMO Cc1nc(C[N@@H+]2C[C@@H](Cc3ccc4ccccc4n3)[C@H](O)C2)cs1 ZINC001704300278 1416432862 /nfs/dbraw/zinc/43/28/62/1416432862.db2.gz QQSMHKFUXGXEBF-DNVCBOLYSA-N 1 1 339.464 3.035 50 0 EGAAMO CCCOc1ccccc1-c1nnc(NC[C@H]2CCCC[N@H+]2C)o1 ZINC001704337302 1416448269 /nfs/dbraw/zinc/44/82/69/1416448269.db2.gz QJPRIKJSZQKKBS-CQSZACIVSA-N 1 1 330.432 3.422 50 0 EGAAMO Cc1ncsc1C[N@@H+]1C[C@@H](Cc2ccnc3ccccc23)[C@H](O)C1 ZINC001704344043 1416449907 /nfs/dbraw/zinc/44/99/07/1416449907.db2.gz NTECPFOZVIXZGU-CRAIPNDOSA-N 1 1 339.464 3.035 50 0 EGAAMO O=C(N1CC[C@H]1c1ccc(F)cc1)C1([NH+]2CCOCC2)CCCCC1 ZINC001704347788 1416451721 /nfs/dbraw/zinc/45/17/21/1416451721.db2.gz GSMINVSUJTWNJW-SFHVURJKSA-N 1 1 346.446 3.134 50 0 EGAAMO C[N@H+](Cc1nnc(-c2cccnc2)o1)C[C@H]1CCN(c2ccccc2)C1 ZINC001704349777 1416452579 /nfs/dbraw/zinc/45/25/79/1416452579.db2.gz WOLHIJFFZCFOMH-MRXNPFEDSA-N 1 1 349.438 3.090 50 0 EGAAMO COc1cc(C)c(C[N@H+]2C[C@@H](Cc3cc(C)no3)[C@@H](OC)C2)cc1C ZINC001704350545 1416452694 /nfs/dbraw/zinc/45/26/94/1416452694.db2.gz NXKLMEOSGCCYCW-XLIONFOSSA-N 1 1 344.455 3.298 50 0 EGAAMO Cc1cc(N2CCC3(CC2)C[N@@H+](C)CCO3)nc2ccc(Cl)cc12 ZINC001772815138 1441417710 /nfs/dbraw/zinc/41/77/10/1441417710.db2.gz JNHWEOYVXJCTNW-UHFFFAOYSA-N 1 1 345.874 3.498 50 0 EGAAMO