smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name COc1ccc(C[NH2+]CCc2cscn2)cc1OC[C@@H](O)CN1CCCC1 ZINC000011946007 204363572 /nfs/dbraw/zinc/36/35/72/204363572.db2.gz OQJKVKMXSWWNOS-SFHVURJKSA-N 1 3 391.537 2.320 50 0 GEAAHO COC[C@@H](C)[NH+]1CCC(Oc2cccc(C(=O)N(C)CCN(C)C)c2)CC1 ZINC000012202169 204382258 /nfs/dbraw/zinc/38/22/58/204382258.db2.gz GWSSTRQSJGFKJP-QGZVFWFLSA-N 1 3 377.529 2.198 50 0 GEAAHO COc1cc(CN(C)CCn2ccnc2)ccc1OC[C@H](O)C[N@H+](C)C(C)C ZINC000012317156 204394997 /nfs/dbraw/zinc/39/49/97/204394997.db2.gz GAVBEHUEPLDGHT-LJQANCHMSA-N 1 3 390.528 2.104 50 0 GEAAHO COc1cc(CN(C)CCn2ccnc2)ccc1OC[C@H](O)C[N@@H+](C)C(C)C ZINC000012317156 204395001 /nfs/dbraw/zinc/39/50/01/204395001.db2.gz GAVBEHUEPLDGHT-LJQANCHMSA-N 1 3 390.528 2.104 50 0 GEAAHO O=C(Cc1c[nH]cn1)N1CCC2(CC[NH+](CC3CCCCC3)CC2)[C@H](CO)C1 ZINC000097655500 570248486 /nfs/dbraw/zinc/24/84/86/570248486.db2.gz QUHSYRXMYQWBSN-IBGZPJMESA-N 1 3 388.556 2.456 50 0 GEAAHO CC[N@@H+]1CCC[C@H]1CNC(=O)CCC1CCN(Cc2ccc(CO)o2)CC1 ZINC000012751688 570709738 /nfs/dbraw/zinc/70/97/38/570709738.db2.gz IQUGGQPTNVHIAE-SFHVURJKSA-N 1 3 377.529 2.365 50 0 GEAAHO CC[N@H+]1CCC[C@H]1CNC(=O)CCC1CCN(Cc2ccc(CO)o2)CC1 ZINC000012751688 570709741 /nfs/dbraw/zinc/70/97/41/570709741.db2.gz IQUGGQPTNVHIAE-SFHVURJKSA-N 1 3 377.529 2.365 50 0 GEAAHO CN1CCN(Cc2cc(C[NH+]3CCCC3)cs2)C[C@]12CCNC(=O)CC2 ZINC000091756054 571029744 /nfs/dbraw/zinc/02/97/44/571029744.db2.gz ZVDZWOVHMRWIGZ-FQEVSTJZSA-N 1 3 376.570 2.130 50 0 GEAAHO COc1ccc(CN2CCC(OC)CC2)cc1OC[C@H](O)C[N@H+](C)C(C)C ZINC000095496579 571073993 /nfs/dbraw/zinc/07/39/93/571073993.db2.gz AOXVKINZWCJVLN-GOSISDBHSA-N 1 3 380.529 2.386 50 0 GEAAHO COc1ccc(CN2CCC(OC)CC2)cc1OC[C@H](O)C[N@@H+](C)C(C)C ZINC000095496579 571073997 /nfs/dbraw/zinc/07/39/97/571073997.db2.gz AOXVKINZWCJVLN-GOSISDBHSA-N 1 3 380.529 2.386 50 0 GEAAHO COc1ccc(CN(C)C2CCOCC2)c(OC[C@H](O)C[NH+]2CCCC2)c1 ZINC000095497076 571074482 /nfs/dbraw/zinc/07/44/82/571074482.db2.gz JRXGWNKBAJYAPS-LJQANCHMSA-N 1 3 378.513 2.142 50 0 GEAAHO COc1cc(CN2CCN(C)C(C)(C)C2)ccc1OC[C@H](O)C[NH+]1CCCC1 ZINC000095525280 571090221 /nfs/dbraw/zinc/09/02/21/571090221.db2.gz GRMYNGSXYFMCEN-LJQANCHMSA-N 1 3 391.556 2.057 50 0 GEAAHO C[N@H+](CCCO)Cc1ccc(OC[C@H](O)CN2CCc3ccccc3C2)cc1 ZINC000095526262 571090444 /nfs/dbraw/zinc/09/04/44/571090444.db2.gz LSPSMHBMWQTBMR-JOCHJYFZSA-N 1 3 384.520 2.299 50 0 GEAAHO C[N@@H+](CCCO)Cc1ccc(OC[C@H](O)CN2CCc3ccccc3C2)cc1 ZINC000095526262 571090445 /nfs/dbraw/zinc/09/04/45/571090445.db2.gz LSPSMHBMWQTBMR-JOCHJYFZSA-N 1 3 384.520 2.299 50 0 GEAAHO CCN1CCC[C@@H]1CNC(=O)[C@H]1C[NH2+]C[C@@H](COc2ccc3c(c2)CCC3)C1 ZINC000014747516 570858944 /nfs/dbraw/zinc/85/89/44/570858944.db2.gz OARLJECWCOPVTQ-IOMROCGXSA-N 1 3 385.552 2.380 50 0 GEAAHO CN1CC[NH+]([C@H]2CCN(Cc3ccc(-n4ccnc4)cc3)C[C@H]2CCCO)CC1 ZINC000095366180 571058394 /nfs/dbraw/zinc/05/83/94/571058394.db2.gz UPRRLIREVATVSR-GGAORHGYSA-N 1 3 397.567 2.083 50 0 GEAAHO CC[N@H+](CCO)Cc1cccc(OC[C@H](O)CN2CCc3ccccc3C2)c1 ZINC000095503680 571077477 /nfs/dbraw/zinc/07/74/77/571077477.db2.gz OSYJOLRMAWPSEH-JOCHJYFZSA-N 1 3 384.520 2.299 50 0 GEAAHO CC[N@@H+](CCO)Cc1cccc(OC[C@H](O)CN2CCc3ccccc3C2)c1 ZINC000095503680 571077478 /nfs/dbraw/zinc/07/74/78/571077478.db2.gz OSYJOLRMAWPSEH-JOCHJYFZSA-N 1 3 384.520 2.299 50 0 GEAAHO O[C@@H](COc1ccc(C[NH+]2CCC(O)CC2)cc1)CN1CCc2ccccc2C1 ZINC000095517000 571084420 /nfs/dbraw/zinc/08/44/20/571084420.db2.gz KWPOQVTTWISEKF-HSZRJFAPSA-N 1 3 396.531 2.441 50 0 GEAAHO CCN1CCC[C@H]1CN(CC1CC[NH+](CCOC)CC1)C(=O)c1ccccn1 ZINC000011766276 204353436 /nfs/dbraw/zinc/35/34/36/204353436.db2.gz HRPFGCCQGAPISB-FQEVSTJZSA-N 1 3 388.556 2.367 50 0 GEAAHO COc1ccc(C[NH2+]CC(C)(C)CO)cc1OC[C@H](O)CN1CCCCC1 ZINC000011955977 204363714 /nfs/dbraw/zinc/36/37/14/204363714.db2.gz RGGGGEJNZQTPIH-GOSISDBHSA-N 1 3 380.529 2.029 50 0 GEAAHO c1cn(C2CCN(Cc3cccnc3)CC2)c(-c2cc3n(n2)CCC[NH2+]C3)n1 ZINC000072479518 205354571 /nfs/dbraw/zinc/35/45/71/205354571.db2.gz DOUAXGZCKZLMDF-UHFFFAOYSA-N 1 3 377.496 2.472 50 0 GEAAHO COc1cc(CNC(=O)[C@H]2CC3(CN2C)CC[NH2+]CC3)ccc1OC(C)C ZINC000072480631 205355530 /nfs/dbraw/zinc/35/55/30/205355530.db2.gz WMAWGXXJFOVCRO-QGZVFWFLSA-N 1 3 375.513 2.173 50 0 GEAAHO CC(C)N1CCN(CCN2CC3(CC[NH+](C4CCCC4)CC3)OC2=O)CC1 ZINC000072481626 205355973 /nfs/dbraw/zinc/35/59/73/205355973.db2.gz FPMSZNQPEWOGBF-UHFFFAOYSA-N 1 3 378.561 2.242 50 0 GEAAHO CCCN1CC2(C[C@@H]1C(=O)NCc1ccc(O)c(OC)c1)CC[NH+](C)CC2 ZINC000072418765 205347245 /nfs/dbraw/zinc/34/72/45/205347245.db2.gz WGVMBVFFRMGCMR-QGZVFWFLSA-N 1 3 375.513 2.213 50 0 GEAAHO CCN1CCN(CCN2CC3(CC[NH+](C4CCCCC4)CC3)OC2=O)CC1 ZINC000072422816 205348941 /nfs/dbraw/zinc/34/89/41/205348941.db2.gz PCPLTTHNTSGMBP-UHFFFAOYSA-N 1 3 378.561 2.243 50 0 GEAAHO CN[C@@H](C)C(=O)N1CCC2(CN(CCC[N@H+](C)C3CCCCC3)C(=O)O2)CC1 ZINC000077471813 205364616 /nfs/dbraw/zinc/36/46/16/205364616.db2.gz XJCRTEMCOZMBIZ-KRWDZBQOSA-N 1 3 394.560 2.062 50 0 GEAAHO CN[C@@H](C)C(=O)N1CCC2(CN(CCC[N@@H+](C)C3CCCCC3)C(=O)O2)CC1 ZINC000077471813 205364619 /nfs/dbraw/zinc/36/46/19/205364619.db2.gz XJCRTEMCOZMBIZ-KRWDZBQOSA-N 1 3 394.560 2.062 50 0 GEAAHO O=C(NCCC[NH+]1CCCC1)c1cccnc1N1CCN[C@H](c2ccccc2)C1 ZINC000065255856 570754263 /nfs/dbraw/zinc/75/42/63/570754263.db2.gz AOHUNCGPHHEITP-NRFANRHFSA-N 1 3 393.535 2.448 50 0 GEAAHO CSCCC[NH+]1CCC(N2CCC(C(=O)NC[C@@H]3CCCO3)CC2)CC1 ZINC000019217771 570962364 /nfs/dbraw/zinc/96/23/64/570962364.db2.gz FNDPKZJPPWSSOY-IBGZPJMESA-N 1 3 383.602 2.211 50 0 GEAAHO COc1ccc(C[N@H+](C)CC2CCOCC2)cc1OC[C@H](O)CN1CCCC1 ZINC000095508459 571080367 /nfs/dbraw/zinc/08/03/67/571080367.db2.gz CNLJNNMMQCXWOJ-HXUWFJFHSA-N 1 3 392.540 2.389 50 0 GEAAHO COc1ccc(C[N@@H+](C)CC2CCOCC2)cc1OC[C@H](O)CN1CCCC1 ZINC000095508459 571080368 /nfs/dbraw/zinc/08/03/68/571080368.db2.gz CNLJNNMMQCXWOJ-HXUWFJFHSA-N 1 3 392.540 2.389 50 0 GEAAHO CC[N@H+](CCO)Cc1ccccc1OC[C@@H](O)CN1CCc2ccccc2C1 ZINC000095528688 571091992 /nfs/dbraw/zinc/09/19/92/571091992.db2.gz WAVYHKLLLQGOCM-QFIPXVFZSA-N 1 3 384.520 2.299 50 0 GEAAHO CC[N@@H+](CCO)Cc1ccccc1OC[C@@H](O)CN1CCc2ccccc2C1 ZINC000095528688 571091994 /nfs/dbraw/zinc/09/19/94/571091994.db2.gz WAVYHKLLLQGOCM-QFIPXVFZSA-N 1 3 384.520 2.299 50 0 GEAAHO COc1ccc(C[NH2+]CC(C)(C)CO)cc1OC[C@@H](O)CN1CCCCC1 ZINC000011955968 204364415 /nfs/dbraw/zinc/36/44/15/204364415.db2.gz RGGGGEJNZQTPIH-SFHVURJKSA-N 1 3 380.529 2.029 50 0 GEAAHO CSC[C@H](C)[NH+]1CCC2(CC1)C(=O)N(CCN(C)C)C(=O)N2CCC(C)C ZINC000014741664 204540401 /nfs/dbraw/zinc/54/04/01/204540401.db2.gz GWYUSEADBUFPBQ-KRWDZBQOSA-N 1 3 398.617 2.444 50 0 GEAAHO Cc1ccc(C2(CN3CCC[C@H](C(=O)c4nccn4C)C3)CC[NH2+]CC2)nc1 ZINC000065384221 205233553 /nfs/dbraw/zinc/23/35/53/205233553.db2.gz KHLZPYYLJXAEHX-SFHVURJKSA-N 1 3 381.524 2.340 50 0 GEAAHO O=C([C@H]1CCC[N@@H+](C2CCN(CCc3ccccc3)CC2)C1)N1CCCNCC1 ZINC000071763448 205296184 /nfs/dbraw/zinc/29/61/84/205296184.db2.gz OSSGPVNFTGFIQZ-QFIPXVFZSA-N 1 3 398.595 2.227 50 0 GEAAHO O=C([C@H]1CCC[N@H+](C2CCN(CCc3ccccc3)CC2)C1)N1CCCNCC1 ZINC000071763448 205296186 /nfs/dbraw/zinc/29/61/86/205296186.db2.gz OSSGPVNFTGFIQZ-QFIPXVFZSA-N 1 3 398.595 2.227 50 0 GEAAHO CN1CC2(C[C@@H]1C(=O)N(Cc1cccnc1)Cc1cccnc1)CC[NH2+]CC2 ZINC000072469924 205354040 /nfs/dbraw/zinc/35/40/40/205354040.db2.gz DZPGLRIBWCEIOT-HXUWFJFHSA-N 1 3 379.508 2.079 50 0 GEAAHO O=C(NC[C@@H]1CCCN(Cc2ccco2)C1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000584903077 570270422 /nfs/dbraw/zinc/27/04/22/570270422.db2.gz JFMUITBWDQSMCP-SFHVURJKSA-N 1 3 383.496 2.418 50 0 GEAAHO CC[NH+](CC)CCNC(=O)C1CCN(Cc2ccc(OC)c(OC)c2)CC1 ZINC000005708401 570322491 /nfs/dbraw/zinc/32/24/91/570322491.db2.gz AHCRVYFQPHNYOC-UHFFFAOYSA-N 1 3 377.529 2.374 50 0 GEAAHO Cc1cc(C)n(-c2cccc(C[N@@H+]3CCC[C@H](Cn4cc(CN)nn4)C3)c2)n1 ZINC000023399191 570360871 /nfs/dbraw/zinc/36/08/71/570360871.db2.gz FNAPORMFLOPYMA-IBGZPJMESA-N 1 3 379.512 2.452 50 0 GEAAHO Cc1cc(C)n(-c2cccc(C[N@H+]3CCC[C@H](Cn4cc(CN)nn4)C3)c2)n1 ZINC000023399191 570360874 /nfs/dbraw/zinc/36/08/74/570360874.db2.gz FNAPORMFLOPYMA-IBGZPJMESA-N 1 3 379.512 2.452 50 0 GEAAHO O=C(NCCN1CCCCC1)c1cccc(N2CC[NH2+][C@@H](c3ccccc3)C2)n1 ZINC000065256358 570754951 /nfs/dbraw/zinc/75/49/51/570754951.db2.gz UWXBNVCZISXNAS-OAQYLSRUSA-N 1 3 393.535 2.448 50 0 GEAAHO Cc1cc(C)n(CCNC(=O)[C@@H]2CCCN(C3CC[NH+](C(C)C)CC3)C2)n1 ZINC000015066193 570875732 /nfs/dbraw/zinc/87/57/32/570875732.db2.gz LPDMVCXVCAKZQX-LJQANCHMSA-N 1 3 375.561 2.201 50 0 GEAAHO CCOCCNC(=O)[C@H]1CCCN(C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000091747068 571029474 /nfs/dbraw/zinc/02/94/74/571029474.db2.gz JLVYDEQHIJXOIT-NRFANRHFSA-N 1 3 399.579 2.483 50 0 GEAAHO COc1ccc(C[N@H+](C)CC2CCOCC2)cc1OC[C@@H](O)CN1CCCC1 ZINC000095508460 571080306 /nfs/dbraw/zinc/08/03/06/571080306.db2.gz CNLJNNMMQCXWOJ-FQEVSTJZSA-N 1 3 392.540 2.389 50 0 GEAAHO COc1ccc(C[N@@H+](C)CC2CCOCC2)cc1OC[C@@H](O)CN1CCCC1 ZINC000095508460 571080308 /nfs/dbraw/zinc/08/03/08/571080308.db2.gz CNLJNNMMQCXWOJ-FQEVSTJZSA-N 1 3 392.540 2.389 50 0 GEAAHO CC[NH+](CC)C[C@@H](O)COc1cc(CN2CCN(C)C(C)(C)C2)ccc1OC ZINC000095525414 571090163 /nfs/dbraw/zinc/09/01/63/571090163.db2.gz GUTNCOVXTNYDGY-LJQANCHMSA-N 1 3 393.572 2.303 50 0 GEAAHO COC[C@H](C)[NH+]1CCC(Oc2cccc(C(=O)N(C)CCN(C)C)c2)CC1 ZINC000012202176 204382815 /nfs/dbraw/zinc/38/28/15/204382815.db2.gz GWSSTRQSJGFKJP-KRWDZBQOSA-N 1 3 377.529 2.198 50 0 GEAAHO COc1ccc2[nH]c(=O)c(C[NH+]3CCC([C@H](C)N4CCOCC4)CC3)cc2c1 ZINC000067910247 205267494 /nfs/dbraw/zinc/26/74/94/205267494.db2.gz FOFCRRIQNUVBSD-INIZCTEOSA-N 1 3 385.508 2.469 50 0 GEAAHO CC(C)N1CCC([NH2+]C[C@]2(O)CCCN(CCCc3ccccc3)C2=O)CC1 ZINC000067975765 205270465 /nfs/dbraw/zinc/27/04/65/205270465.db2.gz WKXKKUGSONITSA-HSZRJFAPSA-N 1 3 387.568 2.435 50 0 GEAAHO CC(C)[C@@H](NC(=O)C1(N2CCCC2)CCCCC1)c1nnc2n1CC[NH2+]CC2 ZINC000067560440 205248515 /nfs/dbraw/zinc/24/85/15/205248515.db2.gz HHYJZDVINQQDSI-GOSISDBHSA-N 1 3 388.560 2.036 50 0 GEAAHO Cc1nc(CNC(=O)[C@@H]2CCC[N@@H+](C3CCN(Cc4ccccc4)CC3)C2)n[nH]1 ZINC000071768058 205295936 /nfs/dbraw/zinc/29/59/36/205295936.db2.gz UNTWYSZXYRIVTJ-LJQANCHMSA-N 1 3 396.539 2.106 50 0 GEAAHO Cc1nc(CNC(=O)[C@@H]2CCC[N@H+](C3CCN(Cc4ccccc4)CC3)C2)n[nH]1 ZINC000071768058 205295940 /nfs/dbraw/zinc/29/59/40/205295940.db2.gz UNTWYSZXYRIVTJ-LJQANCHMSA-N 1 3 396.539 2.106 50 0 GEAAHO COc1cc(CNC(=O)[C@@H]2CC3(CN2C)CC[NH2+]CC3)ccc1OC(C)C ZINC000072480630 205354631 /nfs/dbraw/zinc/35/46/31/205354631.db2.gz WMAWGXXJFOVCRO-KRWDZBQOSA-N 1 3 375.513 2.173 50 0 GEAAHO CC(C)N1CCN(CCN2CC3(CC[NH+](CC4CCCC4)CC3)OC2=O)CC1 ZINC000072411671 205347799 /nfs/dbraw/zinc/34/77/99/205347799.db2.gz SWIVOXCCMOVBNY-UHFFFAOYSA-N 1 3 392.588 2.489 50 0 GEAAHO O=C(NCCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1)[C@H]1CCC[NH2+]1 ZINC000006276513 136195134 /nfs/dbraw/zinc/19/51/34/136195134.db2.gz RSHQVJGDBXLSMJ-GOSISDBHSA-N 1 3 398.473 2.476 50 0 GEAAHO CN1CCC([N@@H+]2CCN(Cc3ccc(OC(F)F)cc3)C[C@H]2CCO)CC1 ZINC000104512031 570259500 /nfs/dbraw/zinc/25/95/00/570259500.db2.gz LDOSKCAAKASYPQ-GOSISDBHSA-N 1 3 383.483 2.251 50 0 GEAAHO CN1CCC([N@H+]2CCN(Cc3ccc(OC(F)F)cc3)C[C@H]2CCO)CC1 ZINC000104512031 570259503 /nfs/dbraw/zinc/25/95/03/570259503.db2.gz LDOSKCAAKASYPQ-GOSISDBHSA-N 1 3 383.483 2.251 50 0 GEAAHO O=C(NCCC[NH+]1CCCC1)c1cccc(N2CCN[C@H](c3ccccc3)C2)n1 ZINC000065256355 570755316 /nfs/dbraw/zinc/75/53/16/570755316.db2.gz GHZJBMWFTFPYDU-NRFANRHFSA-N 1 3 393.535 2.448 50 0 GEAAHO CCN1C(=O)N(CCN(C)C)C(=O)C12CC[NH+](Cc1c[nH]c3ccccc13)CC2 ZINC000014746074 570775818 /nfs/dbraw/zinc/77/58/18/570775818.db2.gz IGDQFLUHWVARPK-UHFFFAOYSA-N 1 3 397.523 2.348 50 0 GEAAHO C[NH+](C)[C@@H]1CCCN(C(=O)CCCN2CCC(NC(=O)OC(C)(C)C)CC2)C1 ZINC000170595793 570853670 /nfs/dbraw/zinc/85/36/70/570853670.db2.gz XTSVEKWRYWDEJJ-GOSISDBHSA-N 1 3 396.576 2.308 50 0 GEAAHO CSCCC[NH+]1CCC(N2CCC(C(=O)NC[C@H]3CCCO3)CC2)CC1 ZINC000019217778 570962394 /nfs/dbraw/zinc/96/23/94/570962394.db2.gz FNDPKZJPPWSSOY-LJQANCHMSA-N 1 3 383.602 2.211 50 0 GEAAHO COc1cc(CN2CCC3(CCO3)CC2)ccc1OC[C@H](O)C[NH+]1CCCC1 ZINC000095498379 571074987 /nfs/dbraw/zinc/07/49/87/571074987.db2.gz PZSYNJKSUSDKLI-LJQANCHMSA-N 1 3 390.524 2.286 50 0 GEAAHO CN1CCN(Cc2cccc(OC[C@@H](O)C[N@@H+]3CCc4ccccc4C3)c2)CC1 ZINC000095522879 571088307 /nfs/dbraw/zinc/08/83/07/571088307.db2.gz KTWQQMSWXBOXQP-QHCPKHFHSA-N 1 3 395.547 2.232 50 0 GEAAHO CN1CCN(Cc2cccc(OC[C@@H](O)C[N@H+]3CCc4ccccc4C3)c2)CC1 ZINC000095522879 571088308 /nfs/dbraw/zinc/08/83/08/571088308.db2.gz KTWQQMSWXBOXQP-QHCPKHFHSA-N 1 3 395.547 2.232 50 0 GEAAHO COc1cc(CN2CCC(OC)CC2)ccc1OC[C@H](O)C[N@H+](C)C(C)C ZINC000095524665 571089694 /nfs/dbraw/zinc/08/96/94/571089694.db2.gz WVFXZBXHWHCOBP-GOSISDBHSA-N 1 3 380.529 2.386 50 0 GEAAHO COc1cc(CN2CCC(OC)CC2)ccc1OC[C@H](O)C[N@@H+](C)C(C)C ZINC000095524665 571089695 /nfs/dbraw/zinc/08/96/95/571089695.db2.gz WVFXZBXHWHCOBP-GOSISDBHSA-N 1 3 380.529 2.386 50 0 GEAAHO C[NH+](C)CCN(C[C@H]1CCCN(Cc2ccccc2F)C1)C(=O)c1c[nH]cn1 ZINC000095530519 571092922 /nfs/dbraw/zinc/09/29/22/571092922.db2.gz QUVPROYLDXPCPW-KRWDZBQOSA-N 1 3 387.503 2.465 50 0 GEAAHO CCOc1c(CN(C)C(=O)[C@@H]2CC3(CN2C)CC[NH2+]CC3)cccc1OC ZINC000072438541 205352751 /nfs/dbraw/zinc/35/27/51/205352751.db2.gz LNZUZQIKLDCFKV-KRWDZBQOSA-N 1 3 375.513 2.126 50 0 GEAAHO COCCN(Cc1ccccc1Cl)C(=O)[C@@H]1CC2(CN1C)CC[NH2+]CC2 ZINC000072407651 205345977 /nfs/dbraw/zinc/34/59/77/205345977.db2.gz AZZRBLPWVPUOJL-SFHVURJKSA-N 1 3 379.932 2.389 50 0 GEAAHO O=C(NC[C@@H]1CCCO1)C1CC[NH+](C2CCN(C3CCSCC3)CC2)CC1 ZINC000011815321 221128273 /nfs/dbraw/zinc/12/82/73/221128273.db2.gz BJJQNSPHTGEFTP-FQEVSTJZSA-N 1 3 395.613 2.354 50 0 GEAAHO CC[NH+]1CCN(CCN2CC3(CCN(Cc4ccc(C)o4)CC3)OC2=O)CC1 ZINC000072475199 222265675 /nfs/dbraw/zinc/26/56/75/222265675.db2.gz DUFNDUCKLNBMDR-UHFFFAOYSA-N 1 3 390.528 2.012 50 0 GEAAHO O=C(Cc1c[nH]cn1)N1CCC2(CC[NH+](CC3CCCCC3)CC2)[C@@H](CO)C1 ZINC000097655501 570248994 /nfs/dbraw/zinc/24/89/94/570248994.db2.gz QUHSYRXMYQWBSN-LJQANCHMSA-N 1 3 388.556 2.456 50 0 GEAAHO [NH3+]CC1CC[NH+](Cc2ccc(-c3nc(CCn4cccn4)cc(=O)[n-]3)cc2)CC1 ZINC000023398520 570360860 /nfs/dbraw/zinc/36/08/60/570360860.db2.gz KPQSCBMXBRZZDH-UHFFFAOYSA-N 1 3 392.507 2.047 50 0 GEAAHO OC[C@H]1C[N@H+](Cc2ccc(C(F)(F)F)cc2)C[C@H]1CN1CCC(CO)CC1 ZINC000091475503 571010476 /nfs/dbraw/zinc/01/04/76/571010476.db2.gz QOXUSCYIYZWMCO-QZTJIDSGSA-N 1 3 386.458 2.450 50 0 GEAAHO OC[C@H]1C[N@@H+](Cc2ccc(C(F)(F)F)cc2)C[C@H]1CN1CCC(CO)CC1 ZINC000091475503 571010481 /nfs/dbraw/zinc/01/04/81/571010481.db2.gz QOXUSCYIYZWMCO-QZTJIDSGSA-N 1 3 386.458 2.450 50 0 GEAAHO Cc1c2cc(C)ccc2[nH]c1CN1C[C@H](CO)[C@H](C[N@H+]2CCCN(C)CC2)C1 ZINC000091650611 571022530 /nfs/dbraw/zinc/02/25/30/571022530.db2.gz TXXSTBDFXPUQAM-WOJBJXKFSA-N 1 3 384.568 2.463 50 0 GEAAHO Cc1c2cc(C)ccc2[nH]c1CN1C[C@H](CO)[C@H](C[N@@H+]2CCCN(C)CC2)C1 ZINC000091650611 571022533 /nfs/dbraw/zinc/02/25/33/571022533.db2.gz TXXSTBDFXPUQAM-WOJBJXKFSA-N 1 3 384.568 2.463 50 0 GEAAHO CC(C)[C@H](NC(=O)C1(N2CCCC2)CCCCC1)c1nnc2n1CC[NH2+]CC2 ZINC000067560436 205249275 /nfs/dbraw/zinc/24/92/75/205249275.db2.gz HHYJZDVINQQDSI-SFHVURJKSA-N 1 3 388.560 2.036 50 0 GEAAHO CCCN(Cc1nccn1C)C(=O)[C@H]1CC2(CN1CCC)CC[NH+](C)CC2 ZINC000072422255 205349450 /nfs/dbraw/zinc/34/94/50/205349450.db2.gz VOCPMQCDEPDMHY-GOSISDBHSA-N 1 3 375.561 2.355 50 0 GEAAHO O=C(NCCCCN1CCN(c2cccc(C(F)(F)F)c2)CC1)[C@@H]1CCC[NH2+]1 ZINC000006276512 136195040 /nfs/dbraw/zinc/19/50/40/136195040.db2.gz RSHQVJGDBXLSMJ-SFHVURJKSA-N 1 3 398.473 2.476 50 0 GEAAHO O[C@@H](COc1ccccc1C[NH2+]CCN1CCCCC1)CN1CCSCC1 ZINC000020774921 570930649 /nfs/dbraw/zinc/93/06/49/570930649.db2.gz MAFLBZFQYDDYRN-HXUWFJFHSA-N 1 3 393.597 2.051 50 0 GEAAHO O[C@@H](COc1ccccc1CN1CCC(O)CC1)C[N@@H+]1CCc2ccccc2C1 ZINC000095521058 571087079 /nfs/dbraw/zinc/08/70/79/571087079.db2.gz GYNYSFKWAORVLA-HSZRJFAPSA-N 1 3 396.531 2.441 50 0 GEAAHO O[C@@H](COc1ccccc1CN1CCC(O)CC1)C[N@H+]1CCc2ccccc2C1 ZINC000095521058 571087081 /nfs/dbraw/zinc/08/70/81/571087081.db2.gz GYNYSFKWAORVLA-HSZRJFAPSA-N 1 3 396.531 2.441 50 0 GEAAHO C[C@@H](O)CNC(=O)C1CCN(C2CC[NH+](CCCc3ccccc3)CC2)CC1 ZINC000012204177 204382939 /nfs/dbraw/zinc/38/29/39/204382939.db2.gz PJVHLQDLUYXRSL-LJQANCHMSA-N 1 3 387.568 2.293 50 0 GEAAHO CCN1CCC[C@H]1CN(CC1CC[NH+](CCOC)CC1)C(=O)c1ocnc1C ZINC000012303631 204394352 /nfs/dbraw/zinc/39/43/52/204394352.db2.gz ZWQJTGNZZOCIOQ-IBGZPJMESA-N 1 3 392.544 2.268 50 0 GEAAHO CCCN1CC2(C[C@H]1C(=O)NCCc1nc3ccccc3[nH]1)CC[NH+](C)CC2 ZINC000072463096 205352527 /nfs/dbraw/zinc/35/25/27/205352527.db2.gz FVTBYQGNJDODAW-IBGZPJMESA-N 1 3 383.540 2.418 50 0 GEAAHO COc1ccc(CN2CCC(CCO)CC2)cc1OC[C@H](O)C[NH+]1CCCC1 ZINC000095512539 205481267 /nfs/dbraw/zinc/48/12/67/205481267.db2.gz UPWSNHLQTVKAAY-HXUWFJFHSA-N 1 3 392.540 2.125 50 0 GEAAHO CCS(=O)(=O)N1CCC([NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@H]32)CC1 ZINC000230234359 206111511 /nfs/dbraw/zinc/11/15/11/206111511.db2.gz OFQVZVAWORAWHO-CEWLAPEOSA-N 1 3 391.581 2.301 50 0 GEAAHO CCC[NH+]1CCC(N2C[C@@H](NCc3ccc(F)c(F)c3)C[C@H]2C(=O)NC)CC1 ZINC000299789075 206189977 /nfs/dbraw/zinc/18/99/77/206189977.db2.gz VLOJBFSZRASVMN-JXFKEZNVSA-N 1 3 394.510 2.118 50 0 GEAAHO Cc1nccnc1CN1CCC2(CC[NH+](Cc3ccncc3)CC2)[C@@H](CO)C1 ZINC000097244208 570240034 /nfs/dbraw/zinc/24/00/34/570240034.db2.gz BTNRAKCLYSFNIN-HXUWFJFHSA-N 1 3 381.524 2.277 50 0 GEAAHO COc1ccc(C[NH2+]CC2CCOCC2)cc1OC[C@H](O)CN1CCCCC1 ZINC000012591072 570687073 /nfs/dbraw/zinc/68/70/73/570687073.db2.gz PMAXUGMCICFEAJ-HXUWFJFHSA-N 1 3 392.540 2.437 50 0 GEAAHO COc1cc(CN(C)CCc2cn[nH]c2)ccc1OC[C@@H](O)C[N@H+](C)C(C)C ZINC000015068237 570876258 /nfs/dbraw/zinc/87/62/58/570876258.db2.gz BABKZIKJZHOMGZ-IBGZPJMESA-N 1 3 390.528 2.173 50 0 GEAAHO COc1cc(CN(C)CCc2cn[nH]c2)ccc1OC[C@@H](O)C[N@@H+](C)C(C)C ZINC000015068237 570876261 /nfs/dbraw/zinc/87/62/61/570876261.db2.gz BABKZIKJZHOMGZ-IBGZPJMESA-N 1 3 390.528 2.173 50 0 GEAAHO COCCCNC(=O)[C@@H]1CCCN(C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000091964654 571037857 /nfs/dbraw/zinc/03/78/57/571037857.db2.gz LHOCNXZGHBXCQV-OAQYLSRUSA-N 1 3 399.579 2.483 50 0 GEAAHO C[NH+](C)CCCn1ccnc1C1CCN(C(=O)[C@H](N)C2CCCCC2)CC1 ZINC000095371627 571061447 /nfs/dbraw/zinc/06/14/47/571061447.db2.gz OGEPFXIWVGHGGO-LJQANCHMSA-N 1 3 375.561 2.448 50 0 GEAAHO COc1ccc(CN(C)CC2CCOCC2)c(OC[C@H](O)C[NH+]2CCCC2)c1 ZINC000095503270 571077108 /nfs/dbraw/zinc/07/71/08/571077108.db2.gz BSHDCTXJZPXQEF-HXUWFJFHSA-N 1 3 392.540 2.389 50 0 GEAAHO O[C@H](COc1ccccc1CN1CCC(O)CC1)C[N@@H+]1CCc2ccccc2C1 ZINC000095521057 571087062 /nfs/dbraw/zinc/08/70/62/571087062.db2.gz GYNYSFKWAORVLA-QHCPKHFHSA-N 1 3 396.531 2.441 50 0 GEAAHO O[C@H](COc1ccccc1CN1CCC(O)CC1)C[N@H+]1CCc2ccccc2C1 ZINC000095521057 571087064 /nfs/dbraw/zinc/08/70/64/571087064.db2.gz GYNYSFKWAORVLA-QHCPKHFHSA-N 1 3 396.531 2.441 50 0 GEAAHO COc1ccc(OCCC[NH3+])c(C(=O)N2CCC(N3CCSCC3)CC2)c1 ZINC000426615130 231246513 /nfs/dbraw/zinc/24/65/13/231246513.db2.gz KSXUUTGUFSYCNS-UHFFFAOYSA-N 1 3 393.553 2.076 50 0 GEAAHO COCCNCc1ccc(OC)c(OC[C@@H](O)C[NH+]2CCCCCCC2)c1 ZINC000015074301 207045249 /nfs/dbraw/zinc/04/52/49/207045249.db2.gz YFKIVRDPJUUVKJ-IBGZPJMESA-N 1 3 380.529 2.437 50 0 GEAAHO Cc1n[nH]c(C)c1CCNC(=O)[C@@H]1CCCN(C2CC[NH+](C(C)C)CC2)C1 ZINC000015075241 207046865 /nfs/dbraw/zinc/04/68/65/207046865.db2.gz DTAJAWOFHYHLJD-GOSISDBHSA-N 1 3 375.561 2.270 50 0 GEAAHO Cc1cc(C)c(-n2cccn2)c(C[N@@H+]2CCC[C@H](Cn3cc(CN)nn3)C2)c1 ZINC000023251689 207271658 /nfs/dbraw/zinc/27/16/58/207271658.db2.gz JUCZQPKZCJERNC-SFHVURJKSA-N 1 3 379.512 2.452 50 0 GEAAHO Cc1cc(C)c(-n2cccn2)c(C[N@H+]2CCC[C@H](Cn3cc(CN)nn3)C2)c1 ZINC000023251689 207271662 /nfs/dbraw/zinc/27/16/62/207271662.db2.gz JUCZQPKZCJERNC-SFHVURJKSA-N 1 3 379.512 2.452 50 0 GEAAHO CCCN1CC2(C[C@@H]1C(=O)N(C)Cc1nc(C3CC3)no1)CC[NH+](C)CC2 ZINC000072431829 208024366 /nfs/dbraw/zinc/02/43/66/208024366.db2.gz LGQYBMFEEZJLHM-MRXNPFEDSA-N 1 3 375.517 2.102 50 0 GEAAHO Cc1cccc(-n2cc(CN(C)C(=O)[C@H]3CC4(CN3C)CC[NH2+]CC4)cn2)c1 ZINC000072477431 208031523 /nfs/dbraw/zinc/03/15/23/208031523.db2.gz LBIQQEFTYMECGP-HXUWFJFHSA-N 1 3 381.524 2.213 50 0 GEAAHO COCCN(C[C@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1)C(=O)Cc1c[nH]cn1 ZINC000095504513 208204696 /nfs/dbraw/zinc/20/46/96/208204696.db2.gz CQPMKLAGFFUQRO-SFHVURJKSA-N 1 3 396.535 2.307 50 0 GEAAHO COCCN(C[C@H]1CCC[N@H+](C2Cc3ccccc3C2)C1)C(=O)Cc1c[nH]cn1 ZINC000095504513 208204702 /nfs/dbraw/zinc/20/47/02/208204702.db2.gz CQPMKLAGFFUQRO-SFHVURJKSA-N 1 3 396.535 2.307 50 0 GEAAHO COc1cc(CN2CCN(C)C(C)(C)C2)ccc1OC[C@H](O)C[N@H+](C)C(C)C ZINC000095511024 208213414 /nfs/dbraw/zinc/21/34/14/208213414.db2.gz UDZGYIMDTVWWOF-LJQANCHMSA-N 1 3 393.572 2.301 50 0 GEAAHO COc1cc(CN2CCN(C)C(C)(C)C2)ccc1OC[C@H](O)C[N@@H+](C)C(C)C ZINC000095511024 208213419 /nfs/dbraw/zinc/21/34/19/208213419.db2.gz UDZGYIMDTVWWOF-LJQANCHMSA-N 1 3 393.572 2.301 50 0 GEAAHO COc1cc(C[N@H+](C)C2CCOCC2)ccc1OC[C@@H](O)CN1CCCC1 ZINC000095520195 208220269 /nfs/dbraw/zinc/22/02/69/208220269.db2.gz OKGJBOIJBOWGHB-IBGZPJMESA-N 1 3 378.513 2.142 50 0 GEAAHO COc1cc(C[N@@H+](C)C2CCOCC2)ccc1OC[C@@H](O)CN1CCCC1 ZINC000095520195 208220271 /nfs/dbraw/zinc/22/02/71/208220271.db2.gz OKGJBOIJBOWGHB-IBGZPJMESA-N 1 3 378.513 2.142 50 0 GEAAHO CNCC(=O)N(C[C@H]1CCCO1)CC1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000095523819 208223010 /nfs/dbraw/zinc/22/30/10/208223010.db2.gz XNIPBSFBAMOWRD-JOCHJYFZSA-N 1 3 385.552 2.093 50 0 GEAAHO COc1ccc(CN2CCC3(CCO3)CC2)c(OC[C@@H](O)C[NH+]2CCCC2)c1 ZINC000095523648 208224079 /nfs/dbraw/zinc/22/40/79/208224079.db2.gz HIIYLLVZZCFOFK-IBGZPJMESA-N 1 3 390.524 2.286 50 0 GEAAHO CC[N@H+](CCO)Cc1ccc(OC[C@H](O)CN2CCc3ccccc3C2)cc1 ZINC000095526235 208227658 /nfs/dbraw/zinc/22/76/58/208227658.db2.gz BPUZBVCUEYJDIC-JOCHJYFZSA-N 1 3 384.520 2.299 50 0 GEAAHO CC[N@@H+](CCO)Cc1ccc(OC[C@H](O)CN2CCc3ccccc3C2)cc1 ZINC000095526235 208227668 /nfs/dbraw/zinc/22/76/68/208227668.db2.gz BPUZBVCUEYJDIC-JOCHJYFZSA-N 1 3 384.520 2.299 50 0 GEAAHO CN(Cc1cc(-c2ccccn2)no1)C(=O)[C@@]12CNC[C@@H]1C[N@@H+](C1CCCC1)C2 ZINC000096149013 208276178 /nfs/dbraw/zinc/27/61/78/208276178.db2.gz VJZIMHKMFOXPFA-OPAMFIHVSA-N 1 3 395.507 2.159 50 0 GEAAHO CN(Cc1cc(-c2ccccn2)no1)C(=O)[C@@]12CNC[C@@H]1C[N@H+](C1CCCC1)C2 ZINC000096149013 208276182 /nfs/dbraw/zinc/27/61/82/208276182.db2.gz VJZIMHKMFOXPFA-OPAMFIHVSA-N 1 3 395.507 2.159 50 0 GEAAHO O=C(NCCN1CC[C@H](c2ccccc2)C1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000426517599 534341799 /nfs/dbraw/zinc/34/17/99/534341799.db2.gz PUQONECGMJJEBF-FQEVSTJZSA-N 1 3 379.508 2.403 50 0 GEAAHO COc1ccc(C[NH2+][C@H]2CC[C@H](O)CC2)cc1OC[C@@H](O)CN1CCCCC1 ZINC000244646944 570436151 /nfs/dbraw/zinc/43/61/51/570436151.db2.gz GSEQLNOCRSHCAK-UFYCRDLUSA-N 1 3 392.540 2.314 50 0 GEAAHO O[C@H](COc1ccccc1C[NH2+]CCN1CCCCC1)CN1CCSCC1 ZINC000020774924 570931052 /nfs/dbraw/zinc/93/10/52/570931052.db2.gz MAFLBZFQYDDYRN-FQEVSTJZSA-N 1 3 393.597 2.051 50 0 GEAAHO C[N@@H+]1CCCC[C@@H]1CCNC(=O)c1ccc(N2CCN(CC3CC3)CC2)nc1 ZINC000019225414 207109471 /nfs/dbraw/zinc/10/94/71/207109471.db2.gz IYRIETIFPVQKFR-HXUWFJFHSA-N 1 3 385.556 2.218 50 0 GEAAHO C[N@H+]1CCCC[C@@H]1CCNC(=O)c1ccc(N2CCN(CC3CC3)CC2)nc1 ZINC000019225414 207109475 /nfs/dbraw/zinc/10/94/75/207109475.db2.gz IYRIETIFPVQKFR-HXUWFJFHSA-N 1 3 385.556 2.218 50 0 GEAAHO COCCN(Cc1ccccc1Cl)C(=O)[C@H]1CC2(CN1C)CC[NH2+]CC2 ZINC000072407650 208016386 /nfs/dbraw/zinc/01/63/86/208016386.db2.gz AZZRBLPWVPUOJL-GOSISDBHSA-N 1 3 379.932 2.389 50 0 GEAAHO CN1CC2(C[C@H]1C(=O)N(Cc1cccnc1)Cc1cccnc1)CC[NH2+]CC2 ZINC000072469926 208029152 /nfs/dbraw/zinc/02/91/52/208029152.db2.gz DZPGLRIBWCEIOT-FQEVSTJZSA-N 1 3 379.508 2.079 50 0 GEAAHO CCCN1CC2(C[C@@H]1C(=O)N(CC)Cc1cnn(CC)c1)CC[NH+](C)CC2 ZINC000072480151 208033717 /nfs/dbraw/zinc/03/37/17/208033717.db2.gz MSECSYBOMSMKAS-LJQANCHMSA-N 1 3 375.561 2.448 50 0 GEAAHO C[NH2+]CCN1C(=O)CC[C@H]2CN(Cc3cn(-c4ccccc4)nc3C)CC[C@H]21 ZINC000072478097 208033789 /nfs/dbraw/zinc/03/37/89/208033789.db2.gz VGROKYILFAKUAB-GHTZIAJQSA-N 1 3 381.524 2.213 50 0 GEAAHO COc1cc(C[NH+]2CCCCCC2)ccc1OC[C@@H](O)CN1CCC(O)CC1 ZINC000095511451 208213357 /nfs/dbraw/zinc/21/33/57/208213357.db2.gz QSEYHUGWQCUNGK-FQEVSTJZSA-N 1 3 392.540 2.268 50 0 GEAAHO COc1ccc(CN2CCC(C)(CO)CC2)cc1OC[C@@H](O)C[N@H+](C)C(C)C ZINC000095516480 208213777 /nfs/dbraw/zinc/21/37/77/208213777.db2.gz DUGSRWYBHDUMKX-IBGZPJMESA-N 1 3 394.556 2.370 50 0 GEAAHO COc1ccc(CN2CCC(C)(CO)CC2)cc1OC[C@@H](O)C[N@@H+](C)C(C)C ZINC000095516480 208213787 /nfs/dbraw/zinc/21/37/87/208213787.db2.gz DUGSRWYBHDUMKX-IBGZPJMESA-N 1 3 394.556 2.370 50 0 GEAAHO COc1ccc(CN2CCC(C)(CO)CC2)cc1OC[C@H](O)C[N@H+](C)C(C)C ZINC000095516481 208214916 /nfs/dbraw/zinc/21/49/16/208214916.db2.gz DUGSRWYBHDUMKX-LJQANCHMSA-N 1 3 394.556 2.370 50 0 GEAAHO COc1ccc(CN2CCC(C)(CO)CC2)cc1OC[C@H](O)C[N@@H+](C)C(C)C ZINC000095516481 208214922 /nfs/dbraw/zinc/21/49/22/208214922.db2.gz DUGSRWYBHDUMKX-LJQANCHMSA-N 1 3 394.556 2.370 50 0 GEAAHO C[N@H+](Cc1cccc(OC[C@@H](O)CN2CCC(O)CC2)c1)C1CCSCC1 ZINC000095523640 208224763 /nfs/dbraw/zinc/22/47/63/208224763.db2.gz KBFYXROIEZTAIH-FQEVSTJZSA-N 1 3 394.581 2.210 50 0 GEAAHO C[N@@H+](Cc1cccc(OC[C@@H](O)CN2CCC(O)CC2)c1)C1CCSCC1 ZINC000095523640 208224770 /nfs/dbraw/zinc/22/47/70/208224770.db2.gz KBFYXROIEZTAIH-FQEVSTJZSA-N 1 3 394.581 2.210 50 0 GEAAHO CCC[NH+]1CCC(N2C[C@H](NCc3cc(F)ccc3F)C[C@H]2C(=O)NC)CC1 ZINC000299801087 209090601 /nfs/dbraw/zinc/09/06/01/209090601.db2.gz XQRYZUXYTZGXML-XLIONFOSSA-N 1 3 394.510 2.118 50 0 GEAAHO O[C@H](COc1ccccc1CNCCOc1cccnc1)C[NH+]1CCCCC1 ZINC000011843962 570588188 /nfs/dbraw/zinc/58/81/88/570588188.db2.gz FJBWYQSMNLDRHS-FQEVSTJZSA-N 1 3 385.508 2.476 50 0 GEAAHO C[C@H](O)CNC(=O)C1CCN(C2CC[NH+](CCCc3ccccc3)CC2)CC1 ZINC000012204180 570625398 /nfs/dbraw/zinc/62/53/98/570625398.db2.gz PJVHLQDLUYXRSL-IBGZPJMESA-N 1 3 387.568 2.293 50 0 GEAAHO O=C(NCCC[NH+]1CCCC1)c1cccc(N2CCN[C@@H](c3ccccc3)C2)n1 ZINC000065256356 570755029 /nfs/dbraw/zinc/75/50/29/570755029.db2.gz GHZJBMWFTFPYDU-OAQYLSRUSA-N 1 3 393.535 2.448 50 0 GEAAHO O=C([C@@H]1CCC[N@@H+](C2CCN(CCc3ccccc3)CC2)C1)N1CCCNCC1 ZINC000071763449 570850387 /nfs/dbraw/zinc/85/03/87/570850387.db2.gz OSSGPVNFTGFIQZ-JOCHJYFZSA-N 1 3 398.595 2.227 50 0 GEAAHO O=C([C@@H]1CCC[N@H+](C2CCN(CCc3ccccc3)CC2)C1)N1CCCNCC1 ZINC000071763449 570850389 /nfs/dbraw/zinc/85/03/89/570850389.db2.gz OSSGPVNFTGFIQZ-JOCHJYFZSA-N 1 3 398.595 2.227 50 0 GEAAHO CN(C)[C@H]1CCN(C(=O)[C@H]2C[NH2+]C[C@@H](COc3cccc(C(F)(F)F)c3)C2)C1 ZINC000014747561 207029861 /nfs/dbraw/zinc/02/98/61/207029861.db2.gz RWLOULCYPJSWLA-UXLLHSPISA-N 1 3 399.457 2.472 50 0 GEAAHO Cn1cc(CC[N@H+](C)Cc2ccc(OC[C@H](O)CN3CCCCC3)cc2)cn1 ZINC000020454040 207194450 /nfs/dbraw/zinc/19/44/50/207194450.db2.gz GNWKEKZVSAZRPV-OAQYLSRUSA-N 1 3 386.540 2.320 50 0 GEAAHO Cn1cc(CC[N@@H+](C)Cc2ccc(OC[C@H](O)CN3CCCCC3)cc2)cn1 ZINC000020454040 207194454 /nfs/dbraw/zinc/19/44/54/207194454.db2.gz GNWKEKZVSAZRPV-OAQYLSRUSA-N 1 3 386.540 2.320 50 0 GEAAHO CCN1CCC2(CC1)OC(=O)C(C)=C2C(=O)NCCC[N@@H+]1CCCC[C@H]1C ZINC000020531726 207200178 /nfs/dbraw/zinc/20/01/78/207200178.db2.gz WYVMXVUVJIIMSZ-MRXNPFEDSA-N 1 3 377.529 2.095 50 0 GEAAHO CCN1CCC2(CC1)OC(=O)C(C)=C2C(=O)NCCC[N@H+]1CCCC[C@H]1C ZINC000020531726 207200183 /nfs/dbraw/zinc/20/01/83/207200183.db2.gz WYVMXVUVJIIMSZ-MRXNPFEDSA-N 1 3 377.529 2.095 50 0 GEAAHO CCOc1c(CN(C)C(=O)[C@H]2CC3(CN2C)CC[NH2+]CC3)cccc1OC ZINC000072438543 208027344 /nfs/dbraw/zinc/02/73/44/208027344.db2.gz LNZUZQIKLDCFKV-QGZVFWFLSA-N 1 3 375.513 2.126 50 0 GEAAHO COc1ccc(CN2C[C@@H](CO)C[C@H](C[NH+](C)C)C2)cc1CN1CCCC1 ZINC000091270400 208114835 /nfs/dbraw/zinc/11/48/35/208114835.db2.gz FJUHVQYRGAIKMJ-UXHICEINSA-N 1 3 375.557 2.283 50 0 GEAAHO CC[NH+](CC)C[C@@H](O)COc1ccc(CN2CCN(C)C(C)(C)C2)cc1OC ZINC000095508847 208210913 /nfs/dbraw/zinc/21/09/13/208210913.db2.gz PVMNTEHMXGVDCH-LJQANCHMSA-N 1 3 393.572 2.303 50 0 GEAAHO CCS(=O)(=O)N1CCC([NH2+][C@@H]2CC[C@@H]3CN(Cc4ccccc4)C[C@H]23)CC1 ZINC000096003147 208251796 /nfs/dbraw/zinc/25/17/96/208251796.db2.gz OFQVZVAWORAWHO-HLAWJBBLSA-N 1 3 391.581 2.301 50 0 GEAAHO CCCN1CC2(C[C@H]1C(=O)N(C)Cc1cn(CC)nc1C)CC[NH+](C)CC2 ZINC000426628833 570503104 /nfs/dbraw/zinc/50/31/04/570503104.db2.gz UJOBOGXTPABBMP-IBGZPJMESA-N 1 3 375.561 2.366 50 0 GEAAHO COc1ccc(C[NH2+]CC2CCOCC2)cc1OC[C@@H](O)CN1CCCCC1 ZINC000012591067 570687183 /nfs/dbraw/zinc/68/71/83/570687183.db2.gz PMAXUGMCICFEAJ-FQEVSTJZSA-N 1 3 392.540 2.437 50 0 GEAAHO COc1ccc(OC[C@@H](O)CN2CCC(O)CC2)c(C[N@H+](C)CC2CCC2)c1 ZINC000095523393 571089329 /nfs/dbraw/zinc/08/93/29/571089329.db2.gz QSANPAINMCWUMM-FQEVSTJZSA-N 1 3 392.540 2.124 50 0 GEAAHO COc1ccc(OC[C@@H](O)CN2CCC(O)CC2)c(C[N@@H+](C)CC2CCC2)c1 ZINC000095523393 571089330 /nfs/dbraw/zinc/08/93/30/571089330.db2.gz QSANPAINMCWUMM-FQEVSTJZSA-N 1 3 392.540 2.124 50 0 GEAAHO Cc1cccc(N2CCN([C@@H]3c4ccccc4C4(CC[NH2+]CC4)[C@H]3O)CC2)n1 ZINC000019336592 207117322 /nfs/dbraw/zinc/11/73/22/207117322.db2.gz UUFDUNYIUPYZKF-YADHBBJMSA-N 1 3 378.520 2.249 50 0 GEAAHO CCCN1CC2(C[C@@H]1C(=O)N(C)Cc1nc(C(C)C)no1)CC[NH+](C)CC2 ZINC000072425770 208023370 /nfs/dbraw/zinc/02/33/70/208023370.db2.gz YSFGMARDRLQPHG-MRXNPFEDSA-N 1 3 377.533 2.348 50 0 GEAAHO C[NH+](C)CCCn1ccnc1[C@@H]1CCCN(C(=O)CN2CCCCCC2)C1 ZINC000095505091 208208734 /nfs/dbraw/zinc/20/87/34/208208734.db2.gz RMGFCDJLCPRGSB-LJQANCHMSA-N 1 3 375.561 2.417 50 0 GEAAHO COc1ccc(CN2CCC(CO)CC2)cc1OC[C@@H](O)C[NH+]1CCCCC1 ZINC000095516907 208215496 /nfs/dbraw/zinc/21/54/96/208215496.db2.gz HXNCJKCDAXCRTM-FQEVSTJZSA-N 1 3 392.540 2.125 50 0 GEAAHO CN1CCN(Cc2cccc(OC[C@H](O)C[N@@H+]3CCc4ccccc4C3)c2)CC1 ZINC000095522878 208222240 /nfs/dbraw/zinc/22/22/40/208222240.db2.gz KTWQQMSWXBOXQP-HSZRJFAPSA-N 1 3 395.547 2.232 50 0 GEAAHO CN1CCN(Cc2cccc(OC[C@H](O)C[N@H+]3CCc4ccccc4C3)c2)CC1 ZINC000095522878 208222244 /nfs/dbraw/zinc/22/22/44/208222244.db2.gz KTWQQMSWXBOXQP-HSZRJFAPSA-N 1 3 395.547 2.232 50 0 GEAAHO CNCC(=O)N(C[C@@H]1CCCO1)CC1CC[NH+](C2Cc3ccccc3C2)CC1 ZINC000095523818 208223254 /nfs/dbraw/zinc/22/32/54/208223254.db2.gz XNIPBSFBAMOWRD-QFIPXVFZSA-N 1 3 385.552 2.093 50 0 GEAAHO Cc1sc2nc(CC[NH3+])nc(N(CCN(C)C)C[C@H]3CCCO3)c2c1C ZINC000065381680 570762978 /nfs/dbraw/zinc/76/29/78/570762978.db2.gz POUAGMNWCKKVCQ-OAHLLOKOSA-N 1 3 377.558 2.356 50 0 GEAAHO COc1ccc2[nH]c(=O)c(C[NH+]3CCC([C@@H](C)N4CCOCC4)CC3)cc2c1 ZINC000067910251 570796708 /nfs/dbraw/zinc/79/67/08/570796708.db2.gz FOFCRRIQNUVBSD-MRXNPFEDSA-N 1 3 385.508 2.469 50 0 GEAAHO COc1ccc(COC[C@H](O)CNC2CC(C)(C)[NH2+]C(C)(C)C2)cc1OC ZINC000005866427 570799317 /nfs/dbraw/zinc/79/93/17/570799317.db2.gz JRAFYZJUFFVRCU-QGZVFWFLSA-N 1 3 380.529 2.480 50 0 GEAAHO COc1ccc(COC[C@H](O)C[NH2+]C2CC(C)(C)NC(C)(C)C2)cc1OC ZINC000005866427 570799321 /nfs/dbraw/zinc/79/93/21/570799321.db2.gz JRAFYZJUFFVRCU-QGZVFWFLSA-N 1 3 380.529 2.480 50 0 GEAAHO CCN1CCC2(CC1)OC(=O)C(C)=C2C(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000020531757 207201123 /nfs/dbraw/zinc/20/11/23/207201123.db2.gz KGQNHPZPOJVBBI-UHFFFAOYSA-N 1 3 391.556 2.485 50 0 GEAAHO CCN1CCC2(CC1)OC(=O)C(C)=C2C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000020531757 207201128 /nfs/dbraw/zinc/20/11/28/207201128.db2.gz KGQNHPZPOJVBBI-UHFFFAOYSA-N 1 3 391.556 2.485 50 0 GEAAHO C[NH+](C)CCN1CC2(CCN(Cc3c[nH]nc3-c3ccccc3)CC2)OC1=O ZINC000072457315 208028439 /nfs/dbraw/zinc/02/84/39/208028439.db2.gz IRICYTRJIVARFW-UHFFFAOYSA-N 1 3 383.496 2.425 50 0 GEAAHO CN(CCc1ccccc1)CCN1CC2(CCN(CC(C)(C)[NH3+])CC2)OC1=O ZINC000072463659 208031614 /nfs/dbraw/zinc/03/16/14/208031614.db2.gz ULNWQTXZFZWJAU-UHFFFAOYSA-N 1 3 388.556 2.185 50 0 GEAAHO CCCN1CC2(C[C@H]1C(=O)N(CC)Cc1cnn(CC)c1)CC[NH+](C)CC2 ZINC000072480152 208033103 /nfs/dbraw/zinc/03/31/03/208033103.db2.gz MSECSYBOMSMKAS-IBGZPJMESA-N 1 3 375.561 2.448 50 0 GEAAHO COc1cc(C(=O)N2CC[C@@H]3CC[C@H](C2)[N@@H+]3C)ccc1OC1CCN(C)CC1 ZINC000095513161 208212865 /nfs/dbraw/zinc/21/28/65/208212865.db2.gz MUKRKTQZHWSRLH-ZWKOTPCHSA-N 1 3 387.524 2.477 50 0 GEAAHO COc1cc(C(=O)N2CC[C@@H]3CC[C@H](C2)[N@H+]3C)ccc1OC1CCN(C)CC1 ZINC000095513161 208212871 /nfs/dbraw/zinc/21/28/71/208212871.db2.gz MUKRKTQZHWSRLH-ZWKOTPCHSA-N 1 3 387.524 2.477 50 0 GEAAHO Cc1c(C(=O)N(C)C[C@@H]2CCN(Cc3ccccc3)C2)nnn1C1CC[NH2+]CC1 ZINC000237234462 570340390 /nfs/dbraw/zinc/34/03/90/570340390.db2.gz LOPXWZGUCPGSRA-IBGZPJMESA-N 1 3 396.539 2.105 50 0 GEAAHO COc1ccc(OC[C@@H](O)C[NH+](C)C)c(CNCCc2ccccc2F)c1 ZINC000011946424 570595053 /nfs/dbraw/zinc/59/50/53/570595053.db2.gz RYSFLJGJKMJLNN-SFHVURJKSA-N 1 3 376.472 2.468 50 0 GEAAHO CSC[C@@H](C)[NH+]1CCC2(CC1)C(=O)N(CCN(C)C)C(=O)N2CCC(C)C ZINC000014741663 207027737 /nfs/dbraw/zinc/02/77/37/207027737.db2.gz GWYUSEADBUFPBQ-QGZVFWFLSA-N 1 3 398.617 2.444 50 0 GEAAHO CCN1CCC[C@H]1CNC(=O)[C@H]1C[NH2+]C[C@@H](COc2ccc3c(c2)CCC3)C1 ZINC000014747517 207029057 /nfs/dbraw/zinc/02/90/57/207029057.db2.gz OARLJECWCOPVTQ-WMQCIHAUSA-N 1 3 385.552 2.380 50 0 GEAAHO Cn1cc(CC[N@H+](C)Cc2ccc(OC[C@@H](O)CN3CCCCC3)cc2)cn1 ZINC000020454038 207194379 /nfs/dbraw/zinc/19/43/79/207194379.db2.gz GNWKEKZVSAZRPV-NRFANRHFSA-N 1 3 386.540 2.320 50 0 GEAAHO Cn1cc(CC[N@@H+](C)Cc2ccc(OC[C@@H](O)CN3CCCCC3)cc2)cn1 ZINC000020454038 207194385 /nfs/dbraw/zinc/19/43/85/207194385.db2.gz GNWKEKZVSAZRPV-NRFANRHFSA-N 1 3 386.540 2.320 50 0 GEAAHO CCCC[N@H+](CC)CCCNC(=O)C1=C(C)C(=O)OC12CCN(CC)CC2 ZINC000020531744 207201539 /nfs/dbraw/zinc/20/15/39/207201539.db2.gz BCKLKXILIYHQKE-UHFFFAOYSA-N 1 3 379.545 2.343 50 0 GEAAHO CCCC[N@@H+](CC)CCCNC(=O)C1=C(C)C(=O)OC12CCN(CC)CC2 ZINC000020531744 207201541 /nfs/dbraw/zinc/20/15/41/207201541.db2.gz BCKLKXILIYHQKE-UHFFFAOYSA-N 1 3 379.545 2.343 50 0 GEAAHO CCCN(Cc1nccn1C)C(=O)[C@@H]1CC2(CN1CCC)CC[NH+](C)CC2 ZINC000072422256 208021534 /nfs/dbraw/zinc/02/15/34/208021534.db2.gz VOCPMQCDEPDMHY-SFHVURJKSA-N 1 3 375.561 2.355 50 0 GEAAHO C[NH2+]CCN1C(=O)CC[C@H]2CN(Cc3cnn(-c4cccc(C)c4)c3)CC[C@H]21 ZINC000072435815 208024750 /nfs/dbraw/zinc/02/47/50/208024750.db2.gz ALYHRRCMDRTHBE-PZJWPPBQSA-N 1 3 381.524 2.213 50 0 GEAAHO CN1CCN(Cc2ccc(OC[C@@H](O)C[N@@H+]3CCc4ccccc4C3)cc2)CC1 ZINC000095507836 208207987 /nfs/dbraw/zinc/20/79/87/208207987.db2.gz OXYMVKQOQGQIFQ-QHCPKHFHSA-N 1 3 395.547 2.232 50 0 GEAAHO CN1CCN(Cc2ccc(OC[C@@H](O)C[N@H+]3CCc4ccccc4C3)cc2)CC1 ZINC000095507836 208207992 /nfs/dbraw/zinc/20/79/92/208207992.db2.gz OXYMVKQOQGQIFQ-QHCPKHFHSA-N 1 3 395.547 2.232 50 0 GEAAHO CCN1CCN(Cc2ccc(OC)c(OC[C@H](O)C[NH+]3CCCCC3)c2)CC1 ZINC000095516725 208218135 /nfs/dbraw/zinc/21/81/35/208218135.db2.gz NZYWOFUZYRWLIY-HXUWFJFHSA-N 1 3 391.556 2.058 50 0 GEAAHO COc1cc(C[NH+]2CCC(C)CC2)ccc1OC[C@@H](O)CN1CCC(O)CC1 ZINC000095522469 208220050 /nfs/dbraw/zinc/22/00/50/208220050.db2.gz UMOUSDCAZMFPBU-FQEVSTJZSA-N 1 3 392.540 2.124 50 0 GEAAHO Cc1n[nH]c(C)c1CN1CCC2(CC1)CC[N@@H+](C1CCOCC1)C[C@@H]2CO ZINC000097522008 208354469 /nfs/dbraw/zinc/35/44/69/208354469.db2.gz VRRPSWIARJBELQ-GOSISDBHSA-N 1 3 376.545 2.102 50 0 GEAAHO Cc1n[nH]c(C)c1CN1CCC2(CC1)CC[N@H+](C1CCOCC1)C[C@@H]2CO ZINC000097522008 208354474 /nfs/dbraw/zinc/35/44/74/208354474.db2.gz VRRPSWIARJBELQ-GOSISDBHSA-N 1 3 376.545 2.102 50 0 GEAAHO C[C@H](C1CC[NH+](CCN2CCN(c3ccccc3)CC2)CC1)N1CCOCC1 ZINC000299799562 209090158 /nfs/dbraw/zinc/09/01/58/209090158.db2.gz SRZZEEQJFABXRG-OAQYLSRUSA-N 1 3 386.584 2.241 50 0 GEAAHO O=C(NC[C@H]1CCCN(Cc2ccco2)C1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000584903076 570270443 /nfs/dbraw/zinc/27/04/43/570270443.db2.gz JFMUITBWDQSMCP-GOSISDBHSA-N 1 3 383.496 2.418 50 0 GEAAHO Cc1cc(-n2cccn2)ccc1CN1CCN(C2CC[NH+](C)CC2)[C@H](CCO)C1 ZINC000039461254 570592104 /nfs/dbraw/zinc/59/21/04/570592104.db2.gz NKRIEDFFKFWRDU-HSZRJFAPSA-N 1 3 397.567 2.144 50 0 GEAAHO Cc1cc(-n2cccn2)ccc1CN1CC[N@@H+](C2CCN(C)CC2)[C@H](CCO)C1 ZINC000039461254 570592107 /nfs/dbraw/zinc/59/21/07/570592107.db2.gz NKRIEDFFKFWRDU-HSZRJFAPSA-N 1 3 397.567 2.144 50 0 GEAAHO Cc1cc(-n2cccn2)ccc1CN1CC[N@H+](C2CCN(C)CC2)[C@H](CCO)C1 ZINC000039461254 570592110 /nfs/dbraw/zinc/59/21/10/570592110.db2.gz NKRIEDFFKFWRDU-HSZRJFAPSA-N 1 3 397.567 2.144 50 0 GEAAHO CC[N@@H+]1CCC[C@@H]1CNC(=O)CCC1CCN(Cc2ccc(CO)o2)CC1 ZINC000012751681 570709668 /nfs/dbraw/zinc/70/96/68/570709668.db2.gz IQUGGQPTNVHIAE-GOSISDBHSA-N 1 3 377.529 2.365 50 0 GEAAHO CC[N@H+]1CCC[C@@H]1CNC(=O)CCC1CCN(Cc2ccc(CO)o2)CC1 ZINC000012751681 570709669 /nfs/dbraw/zinc/70/96/69/570709669.db2.gz IQUGGQPTNVHIAE-GOSISDBHSA-N 1 3 377.529 2.365 50 0 GEAAHO O=C(NCCC[NH+]1CCCC1)c1ccnc(N2CCN[C@@H](c3ccccc3)C2)c1 ZINC000065256026 570754667 /nfs/dbraw/zinc/75/46/67/570754667.db2.gz JCANTBBRSYTQOB-OAQYLSRUSA-N 1 3 393.535 2.448 50 0 GEAAHO COCCNC(=O)[C@@H]1CCCN(C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000067434885 570779967 /nfs/dbraw/zinc/77/99/67/570779967.db2.gz KKQOPGGOQBTVCH-HXUWFJFHSA-N 1 3 385.552 2.093 50 0 GEAAHO CC(C)(CO)NC(=O)[C@H]1CCCN(C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000071760175 570849570 /nfs/dbraw/zinc/84/95/70/570849570.db2.gz BTPQMCHWXMPZNJ-FQEVSTJZSA-N 1 3 399.579 2.217 50 0 GEAAHO Cc1nccn1CCCN1CCC([N@@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)CC1 ZINC000071762470 570850323 /nfs/dbraw/zinc/85/03/23/570850323.db2.gz HDCZCROENMNURC-HXUWFJFHSA-N 1 3 387.572 2.380 50 0 GEAAHO Cc1nccn1CCCN1CCC([N@H+]2CCC[C@@H](C(=O)N3CCCC3)C2)CC1 ZINC000071762470 570850325 /nfs/dbraw/zinc/85/03/25/570850325.db2.gz HDCZCROENMNURC-HXUWFJFHSA-N 1 3 387.572 2.380 50 0 GEAAHO O=C(Cn1ccc([C@@H]2CCC[NH2+]C2)n1)NCCN1CCC(c2ccccc2)CC1 ZINC000426474188 231224368 /nfs/dbraw/zinc/22/43/68/231224368.db2.gz GXXXMKDZKGASSI-OAQYLSRUSA-N 1 3 395.551 2.346 50 0 GEAAHO C[C@H](O)CC[NH+]1CCC(N2CCC(C(=O)NCCc3ccccc3)CC2)CC1 ZINC000023338985 207274884 /nfs/dbraw/zinc/27/48/84/207274884.db2.gz IWTVFLQTHLHBNQ-IBGZPJMESA-N 1 3 387.568 2.293 50 0 GEAAHO Cc1ccccc1-n1cc(CN(C)C(=O)[C@@H]2CC3(CN2C)CC[NH2+]CC3)cn1 ZINC000072428108 208021058 /nfs/dbraw/zinc/02/10/58/208021058.db2.gz MNKPOCCGOYDPTR-FQEVSTJZSA-N 1 3 381.524 2.213 50 0 GEAAHO O=C(CCc1cc2n(n1)CCC[NH2+]C2)N[C@H]1CCCN(Cc2ccccc2)C1 ZINC000072431733 208023989 /nfs/dbraw/zinc/02/39/89/208023989.db2.gz PUDOYFUKTVHPNG-FQEVSTJZSA-N 1 3 381.524 2.090 50 0 GEAAHO CCCN1CC2(C[C@H]1C(=O)N(C)Cc1nc(C3CC3)no1)CC[NH+](C)CC2 ZINC000072431830 208024655 /nfs/dbraw/zinc/02/46/55/208024655.db2.gz LGQYBMFEEZJLHM-INIZCTEOSA-N 1 3 375.517 2.102 50 0 GEAAHO CSCC[C@H]([NH3+])C(=O)NCc1cc2n(n1)CCCN(C1CCCCC1)C2 ZINC000091593592 208126503 /nfs/dbraw/zinc/12/65/03/208126503.db2.gz IVCNDHMOVMEXHG-SFHVURJKSA-N 1 3 379.574 2.118 50 0 GEAAHO COCCCNC(=O)[C@H]1CCCN(C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000091964655 208144422 /nfs/dbraw/zinc/14/44/22/208144422.db2.gz LHOCNXZGHBXCQV-NRFANRHFSA-N 1 3 399.579 2.483 50 0 GEAAHO COc1ccc(CN2CCC(OC)CC2)cc1OC[C@@H](O)C[N@H+](C)C(C)C ZINC000095496578 208197181 /nfs/dbraw/zinc/19/71/81/208197181.db2.gz AOXVKINZWCJVLN-SFHVURJKSA-N 1 3 380.529 2.386 50 0 GEAAHO COc1ccc(CN2CCC(OC)CC2)cc1OC[C@@H](O)C[N@@H+](C)C(C)C ZINC000095496578 208197186 /nfs/dbraw/zinc/19/71/86/208197186.db2.gz AOXVKINZWCJVLN-SFHVURJKSA-N 1 3 380.529 2.386 50 0 GEAAHO COc1ccc(OC[C@H](O)CN2CCC(O)CC2)c(C[N@H+](C)CC(C)(C)C)c1 ZINC000095527675 208225635 /nfs/dbraw/zinc/22/56/35/208225635.db2.gz NHMZZGVQQAKNLJ-LJQANCHMSA-N 1 3 394.556 2.370 50 0 GEAAHO COc1ccc(OC[C@H](O)CN2CCC(O)CC2)c(C[N@@H+](C)CC(C)(C)C)c1 ZINC000095527675 208225643 /nfs/dbraw/zinc/22/56/43/208225643.db2.gz NHMZZGVQQAKNLJ-LJQANCHMSA-N 1 3 394.556 2.370 50 0 GEAAHO CN(CC[NH+](C)C)Cc1cccc(OC[C@H](O)CN2CCc3ccccc3C2)c1 ZINC000095527786 208225722 /nfs/dbraw/zinc/22/57/22/208225722.db2.gz FUYMBRNAKWGEFF-HSZRJFAPSA-N 1 3 397.563 2.478 50 0 GEAAHO C[N@H+](CCCO)Cc1ccc(OC[C@@H](O)CN2CCc3ccccc3C2)cc1 ZINC000095526263 208227128 /nfs/dbraw/zinc/22/71/28/208227128.db2.gz LSPSMHBMWQTBMR-QFIPXVFZSA-N 1 3 384.520 2.299 50 0 GEAAHO C[N@@H+](CCCO)Cc1ccc(OC[C@@H](O)CN2CCc3ccccc3C2)cc1 ZINC000095526263 208227134 /nfs/dbraw/zinc/22/71/34/208227134.db2.gz LSPSMHBMWQTBMR-QFIPXVFZSA-N 1 3 384.520 2.299 50 0 GEAAHO CN(CC1CCN(CCO)CC1)C(=O)[C@H]1C[C@@H](c2ccccc2)[N@@H+]2CCC[C@H]12 ZINC000299783773 209089377 /nfs/dbraw/zinc/08/93/77/209089377.db2.gz YFMSREZBKMBAJU-BDTNDASRSA-N 1 3 385.552 2.375 50 0 GEAAHO CN(CC1CCN(CCO)CC1)C(=O)[C@H]1C[C@@H](c2ccccc2)[N@H+]2CCC[C@H]12 ZINC000299783773 209089384 /nfs/dbraw/zinc/08/93/84/209089384.db2.gz YFMSREZBKMBAJU-BDTNDASRSA-N 1 3 385.552 2.375 50 0 GEAAHO CN(CCc1ccccc1)C1(C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)Cc2ccccc2C1 ZINC000072126553 570867645 /nfs/dbraw/zinc/86/76/45/570867645.db2.gz CRBIQBYVDZFLPM-ZRZAMGCNSA-N 1 3 389.543 2.376 50 0 GEAAHO Cc1cc(C)n(CCNC(=O)[C@H]2CCCN(C3CC[NH+](C(C)C)CC3)C2)n1 ZINC000015066194 207043269 /nfs/dbraw/zinc/04/32/69/207043269.db2.gz LPDMVCXVCAKZQX-IBGZPJMESA-N 1 3 375.561 2.201 50 0 GEAAHO Cc1ccccc1-n1cc(CN(C)C(=O)[C@H]2CC3(CN2C)CC[NH2+]CC3)cn1 ZINC000072428109 208021105 /nfs/dbraw/zinc/02/11/05/208021105.db2.gz MNKPOCCGOYDPTR-HXUWFJFHSA-N 1 3 381.524 2.213 50 0 GEAAHO CCN1CCC[C@@H]1CN(CC1CC[NH+](CCOC)CC1)C(=O)c1cccnc1 ZINC000015068746 208035791 /nfs/dbraw/zinc/03/57/91/208035791.db2.gz WYHBRHDRGGMNJS-OAQYLSRUSA-N 1 3 388.556 2.367 50 0 GEAAHO COc1ccc([C@@H]2CN(C(=O)C3(C)CC[NH2+]CC3)[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000095366845 208163703 /nfs/dbraw/zinc/16/37/03/208163703.db2.gz ANEXUCPESSUOSZ-PWRODBHTSA-N 1 3 383.536 2.474 50 0 GEAAHO COc1ccc(OC[C@@H](O)CN2CCC(O)CC2)c(C[NH+]2CCCCCC2)c1 ZINC000095504875 208204831 /nfs/dbraw/zinc/20/48/31/208204831.db2.gz HSBFCTANUKBNEH-FQEVSTJZSA-N 1 3 392.540 2.268 50 0 GEAAHO COc1ccc(CN2CCN(C(C)C)CC2)cc1OC[C@H](O)C[N@H+](C)C(C)C ZINC000095522478 208221252 /nfs/dbraw/zinc/22/12/52/208221252.db2.gz GVLJLHYJOJDSMY-HXUWFJFHSA-N 1 3 393.572 2.301 50 0 GEAAHO COc1ccc(CN2CCN(C(C)C)CC2)cc1OC[C@H](O)C[N@@H+](C)C(C)C ZINC000095522478 208221258 /nfs/dbraw/zinc/22/12/58/208221258.db2.gz GVLJLHYJOJDSMY-HXUWFJFHSA-N 1 3 393.572 2.301 50 0 GEAAHO CN(CC[NH+](C)C)Cc1cccc(OC[C@@H](O)CN2CCc3ccccc3C2)c1 ZINC000095527787 208227852 /nfs/dbraw/zinc/22/78/52/208227852.db2.gz FUYMBRNAKWGEFF-QHCPKHFHSA-N 1 3 397.563 2.478 50 0 GEAAHO Cc1sc2nc(CC[NH3+])nc(N3CCN(CC4CC4)[C@H](CCO)C3)c2c1C ZINC000065405605 136163904 /nfs/dbraw/zinc/16/39/04/136163904.db2.gz XHQWUSYEUBULQC-MRXNPFEDSA-N 1 3 389.569 2.092 50 0 GEAAHO Cc1c[nH+]ccc1N1CCCN(CCC(=O)Nc2ccc(C(N)=O)cc2)CC1 ZINC000065467702 570770180 /nfs/dbraw/zinc/77/01/80/570770180.db2.gz JIEZXZLAONTQHB-UHFFFAOYSA-N 1 3 381.480 2.030 50 0 GEAAHO CC(C)(CO)NC(=O)[C@@H]1CCCN(C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000071760174 570849588 /nfs/dbraw/zinc/84/95/88/570849588.db2.gz BTPQMCHWXMPZNJ-HXUWFJFHSA-N 1 3 399.579 2.217 50 0 GEAAHO Cc1nccn1CCCN1CCC([N@@H+]2CCC[C@H](C(=O)N3CCCC3)C2)CC1 ZINC000071762469 570850263 /nfs/dbraw/zinc/85/02/63/570850263.db2.gz HDCZCROENMNURC-FQEVSTJZSA-N 1 3 387.572 2.380 50 0 GEAAHO Cc1nccn1CCCN1CCC([N@H+]2CCC[C@H](C(=O)N3CCCC3)C2)CC1 ZINC000071762469 570850265 /nfs/dbraw/zinc/85/02/65/570850265.db2.gz HDCZCROENMNURC-FQEVSTJZSA-N 1 3 387.572 2.380 50 0 GEAAHO CN(C)CCNC(=O)[C@@H]1CCC[N@@H+](C2CCN(c3nc4ccccc4o3)CC2)C1 ZINC000071763685 570851001 /nfs/dbraw/zinc/85/10/01/570851001.db2.gz RZPWYZIATQHABF-QGZVFWFLSA-N 1 3 399.539 2.186 50 0 GEAAHO CN(C)CCNC(=O)[C@@H]1CCC[N@H+](C2CCN(c3nc4ccccc4o3)CC2)C1 ZINC000071763685 570851004 /nfs/dbraw/zinc/85/10/04/570851004.db2.gz RZPWYZIATQHABF-QGZVFWFLSA-N 1 3 399.539 2.186 50 0 GEAAHO COc1ccc(OC[C@H](O)CN2CCC(O)CC2)c(C[NH2+]CCC(C)C)c1 ZINC000012751886 210001984 /nfs/dbraw/zinc/00/19/84/210001984.db2.gz UGVCIUZVKJWCNV-LJQANCHMSA-N 1 3 380.529 2.027 50 0 GEAAHO COc1ccc(OC[C@@H](O)CN2CCC(O)CC2)c(C[N@H+](C)CC(C)(C)C)c1 ZINC000095527676 211273000 /nfs/dbraw/zinc/27/30/00/211273000.db2.gz NHMZZGVQQAKNLJ-IBGZPJMESA-N 1 3 394.556 2.370 50 0 GEAAHO COc1ccc(OC[C@@H](O)CN2CCC(O)CC2)c(C[N@@H+](C)CC(C)(C)C)c1 ZINC000095527676 211273001 /nfs/dbraw/zinc/27/30/01/211273001.db2.gz NHMZZGVQQAKNLJ-IBGZPJMESA-N 1 3 394.556 2.370 50 0 GEAAHO CC(C)Oc1cccc(CN2C[C@H](CO)[C@H](C[N@@H+]3CCCN(C)CC3)C2)c1 ZINC000091391174 211190712 /nfs/dbraw/zinc/19/07/12/211190712.db2.gz GKNXCNSUSKPELU-NHCUHLMSSA-N 1 3 375.557 2.152 50 0 GEAAHO CC(C)Oc1cccc(CN2C[C@H](CO)[C@H](C[N@H+]3CCCN(C)CC3)C2)c1 ZINC000091391174 211190714 /nfs/dbraw/zinc/19/07/14/211190714.db2.gz GKNXCNSUSKPELU-NHCUHLMSSA-N 1 3 375.557 2.152 50 0 GEAAHO CCC[NH+]1CCC(N2C[C@H](NCc3cccc(F)c3)C[C@H]2C(=O)NCC)CC1 ZINC000023363053 210442780 /nfs/dbraw/zinc/44/27/80/210442780.db2.gz RNNZHOJJKUAGPS-CTNGQTDRSA-N 1 3 390.547 2.369 50 0 GEAAHO CC[C@@H]1CCCC[N@@H+]1CCCNC(=O)C1=C(C)C(=O)OC12CCN(CC)CC2 ZINC000020531742 210343477 /nfs/dbraw/zinc/34/34/77/210343477.db2.gz YPDBNJZKJBDEAH-GOSISDBHSA-N 1 3 391.556 2.485 50 0 GEAAHO CC[C@@H]1CCCC[N@H+]1CCCNC(=O)C1=C(C)C(=O)OC12CCN(CC)CC2 ZINC000020531742 210343481 /nfs/dbraw/zinc/34/34/81/210343481.db2.gz YPDBNJZKJBDEAH-GOSISDBHSA-N 1 3 391.556 2.485 50 0 GEAAHO CCN1CCN(C2CCN(C(=O)c3ccc([C@@H]4CCC[NH2+]4)s3)CC2)CC1 ZINC000020472549 210339765 /nfs/dbraw/zinc/33/97/65/210339765.db2.gz WRGZSPOCCXNTSJ-KRWDZBQOSA-N 1 3 376.570 2.415 50 0 GEAAHO Oc1ccccc1N1CCN([C@@H]2c3ccccc3C3(CC[NH2+]CC3)[C@H]2O)CC1 ZINC000020785743 136202792 /nfs/dbraw/zinc/20/27/92/136202792.db2.gz CFVJHYJPSLDSAN-YADHBBJMSA-N 1 3 379.504 2.251 50 0 GEAAHO CN1CCN(C[C@@H](O)COc2ccc(C[NH2+]C3(c4ccccc4)CC3)cc2)CC1 ZINC000023358870 570356278 /nfs/dbraw/zinc/35/62/78/570356278.db2.gz QMUOJEQPUAGWJY-JOCHJYFZSA-N 1 3 395.547 2.453 50 0 GEAAHO COc1ccc(C[NH2+][C@H]2CC[C@H](O)CC2)cc1OC[C@H](O)CN1CCCCC1 ZINC000244646945 570436109 /nfs/dbraw/zinc/43/61/09/570436109.db2.gz GSEQLNOCRSHCAK-VAMGGRTRSA-N 1 3 392.540 2.314 50 0 GEAAHO COc1cccc(OC)c1CN1CCC(CCC(=O)NCC[NH+](C)C)CC1 ZINC000012314652 570640740 /nfs/dbraw/zinc/64/07/40/570640740.db2.gz IUGHPLQQCKZLNG-UHFFFAOYSA-N 1 3 377.529 2.374 50 0 GEAAHO Cc1ccc(C2(CN3CCC[C@@H](C(=O)c4nccn4C)C3)CC[NH2+]CC2)nc1 ZINC000065384223 570763499 /nfs/dbraw/zinc/76/34/99/570763499.db2.gz KHLZPYYLJXAEHX-GOSISDBHSA-N 1 3 381.524 2.340 50 0 GEAAHO COc1ccc(OC[C@@H](O)CN2CCC(O)CC2)c(C[NH2+]CCC(C)C)c1 ZINC000012751879 210000769 /nfs/dbraw/zinc/00/07/69/210000769.db2.gz UGVCIUZVKJWCNV-IBGZPJMESA-N 1 3 380.529 2.027 50 0 GEAAHO Cc1n[nH]c(C)c1CN1CCC2(CC1)CC[N@@H+](C1CCOCC1)C[C@H]2CO ZINC000097522010 211366046 /nfs/dbraw/zinc/36/60/46/211366046.db2.gz VRRPSWIARJBELQ-SFHVURJKSA-N 1 3 376.545 2.102 50 0 GEAAHO Cc1n[nH]c(C)c1CN1CCC2(CC1)CC[N@H+](C1CCOCC1)C[C@H]2CO ZINC000097522010 211366050 /nfs/dbraw/zinc/36/60/50/211366050.db2.gz VRRPSWIARJBELQ-SFHVURJKSA-N 1 3 376.545 2.102 50 0 GEAAHO CC[N@H+](CCO)Cc1ccccc1OC[C@H](O)CN1CCc2ccccc2C1 ZINC000095528687 211276008 /nfs/dbraw/zinc/27/60/08/211276008.db2.gz WAVYHKLLLQGOCM-JOCHJYFZSA-N 1 3 384.520 2.299 50 0 GEAAHO CC[N@@H+](CCO)Cc1ccccc1OC[C@H](O)CN1CCc2ccccc2C1 ZINC000095528687 211276010 /nfs/dbraw/zinc/27/60/10/211276010.db2.gz WAVYHKLLLQGOCM-JOCHJYFZSA-N 1 3 384.520 2.299 50 0 GEAAHO CC[N@H+](CCO)Cc1ccc(OC[C@@H](O)CN2CCc3ccccc3C2)cc1 ZINC000095526236 211272228 /nfs/dbraw/zinc/27/22/28/211272228.db2.gz BPUZBVCUEYJDIC-QFIPXVFZSA-N 1 3 384.520 2.299 50 0 GEAAHO CC[N@@H+](CCO)Cc1ccc(OC[C@@H](O)CN2CCc3ccccc3C2)cc1 ZINC000095526236 211272235 /nfs/dbraw/zinc/27/22/35/211272235.db2.gz BPUZBVCUEYJDIC-QFIPXVFZSA-N 1 3 384.520 2.299 50 0 GEAAHO COc1ccc(CN2CC[C@H]([NH+]3CCN(C)CC3)[C@H](CCCO)C2)cc1C ZINC000092045477 211214062 /nfs/dbraw/zinc/21/40/62/211214062.db2.gz PDFNABWELWYWBA-RTWAWAEBSA-N 1 3 375.557 2.214 50 0 GEAAHO CCN(CCO)C(=O)[C@H]1CCCN(C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000091690889 211202901 /nfs/dbraw/zinc/20/29/01/211202901.db2.gz KFNYBAMPOLQWDD-NRFANRHFSA-N 1 3 399.579 2.171 50 0 GEAAHO CCN1CCN(CCN2CC3(CC[NH+](CC4CCCC4)CC3)OC2=O)CC1 ZINC000072417980 211116244 /nfs/dbraw/zinc/11/62/44/211116244.db2.gz MABZOGKGPXMUBR-UHFFFAOYSA-N 1 3 378.561 2.101 50 0 GEAAHO CC(C)(CO)NC(=O)[C@H]1CCCN(C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000071755275 211059244 /nfs/dbraw/zinc/05/92/44/211059244.db2.gz RHLOONTWBXMITN-FQEVSTJZSA-N 1 3 387.568 2.293 50 0 GEAAHO CCN1CCC2(CC1)OC(=O)C(C)=C2C(=O)NCCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000020531759 210344056 /nfs/dbraw/zinc/34/40/56/210344056.db2.gz PXWOJXLJURSGAO-CALCHBBNSA-N 1 3 391.556 2.483 50 0 GEAAHO CCN1CCC2(CC1)OC(=O)C(C)=C2C(=O)NCCC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000020531759 210344060 /nfs/dbraw/zinc/34/40/60/210344060.db2.gz PXWOJXLJURSGAO-CALCHBBNSA-N 1 3 391.556 2.483 50 0 GEAAHO Cc1c(C(=O)N(C)C[C@H]2CCN(Cc3ccccc3)C2)nnn1C1CC[NH2+]CC1 ZINC000237242601 570340825 /nfs/dbraw/zinc/34/08/25/570340825.db2.gz LOPXWZGUCPGSRA-LJQANCHMSA-N 1 3 396.539 2.105 50 0 GEAAHO C[NH+](C)[C@H]1CCCN(C(=O)CCCN2CCC(NC(=O)OC(C)(C)C)CC2)C1 ZINC000170595792 570853649 /nfs/dbraw/zinc/85/36/49/570853649.db2.gz XTSVEKWRYWDEJJ-SFHVURJKSA-N 1 3 396.576 2.308 50 0 GEAAHO Cc1ccc(OC[C@H]2C[C@@H](C(=O)NCCN(C)C)C[N@H+](CC(C)C)C2)cn1 ZINC000014748222 210126756 /nfs/dbraw/zinc/12/67/56/210126756.db2.gz IKQWNZCGUUCXQL-RBUKOAKNSA-N 1 3 376.545 2.041 50 0 GEAAHO Cc1ccc(OC[C@H]2C[C@@H](C(=O)NCCN(C)C)C[N@@H+](CC(C)C)C2)cn1 ZINC000014748222 210126761 /nfs/dbraw/zinc/12/67/61/210126761.db2.gz IKQWNZCGUUCXQL-RBUKOAKNSA-N 1 3 376.545 2.041 50 0 GEAAHO O[C@@H](COc1cccc(OC[C@@H](O)CN2CCCCC2)c1)C[NH+]1CCCCC1 ZINC000000864300 209274727 /nfs/dbraw/zinc/27/47/27/209274727.db2.gz FHFSLXLDKXBOQN-BGYRXZFFSA-N 1 3 392.540 2.138 50 0 GEAAHO O[C@@H](COc1cccc(OC[C@@H](O)C[NH+]2CCCCC2)c1)CN1CCCCC1 ZINC000000864300 209274731 /nfs/dbraw/zinc/27/47/31/209274731.db2.gz FHFSLXLDKXBOQN-BGYRXZFFSA-N 1 3 392.540 2.138 50 0 GEAAHO Cc1nccnc1CN1CCC2(CC[NH+](Cc3ccncc3)CC2)[C@H](CO)C1 ZINC000097244206 211361657 /nfs/dbraw/zinc/36/16/57/211361657.db2.gz BTNRAKCLYSFNIN-FQEVSTJZSA-N 1 3 381.524 2.277 50 0 GEAAHO COc1cc(CN2CCC(OC)CC2)ccc1OC[C@@H](O)C[N@H+](C)C(C)C ZINC000095524664 211268892 /nfs/dbraw/zinc/26/88/92/211268892.db2.gz WVFXZBXHWHCOBP-SFHVURJKSA-N 1 3 380.529 2.386 50 0 GEAAHO COc1cc(CN2CCC(OC)CC2)ccc1OC[C@@H](O)C[N@@H+](C)C(C)C ZINC000095524664 211268896 /nfs/dbraw/zinc/26/88/96/211268896.db2.gz WVFXZBXHWHCOBP-SFHVURJKSA-N 1 3 380.529 2.386 50 0 GEAAHO COc1cc(C[NH+]2CCC(C)CC2)ccc1OC[C@H](O)CN1CCC(O)CC1 ZINC000095522468 211267130 /nfs/dbraw/zinc/26/71/30/211267130.db2.gz UMOUSDCAZMFPBU-HXUWFJFHSA-N 1 3 392.540 2.124 50 0 GEAAHO COc1ccc(OC[C@@H](O)CN2CCC(O)CC2)c(C[N@@H+]2CCCC2(C)C)c1 ZINC000095520492 211266963 /nfs/dbraw/zinc/26/69/63/211266963.db2.gz FWOQTRAAWDIXRH-IBGZPJMESA-N 1 3 392.540 2.266 50 0 GEAAHO COc1ccc(OC[C@@H](O)CN2CCC(O)CC2)c(C[N@H+]2CCCC2(C)C)c1 ZINC000095520492 211266965 /nfs/dbraw/zinc/26/69/65/211266965.db2.gz FWOQTRAAWDIXRH-IBGZPJMESA-N 1 3 392.540 2.266 50 0 GEAAHO COc1cc(C[NH+]2CCCCCC2)ccc1OC[C@H](O)CN1CCC(O)CC1 ZINC000095511450 211262948 /nfs/dbraw/zinc/26/29/48/211262948.db2.gz QSEYHUGWQCUNGK-HXUWFJFHSA-N 1 3 392.540 2.268 50 0 GEAAHO CN1CCN(Cc2ccc(OC[C@H](O)C[N@@H+]3CCc4ccccc4C3)cc2)CC1 ZINC000095507835 211259413 /nfs/dbraw/zinc/25/94/13/211259413.db2.gz OXYMVKQOQGQIFQ-HSZRJFAPSA-N 1 3 395.547 2.232 50 0 GEAAHO CN1CCN(Cc2ccc(OC[C@H](O)C[N@H+]3CCc4ccccc4C3)cc2)CC1 ZINC000095507835 211259416 /nfs/dbraw/zinc/25/94/16/211259416.db2.gz OXYMVKQOQGQIFQ-HSZRJFAPSA-N 1 3 395.547 2.232 50 0 GEAAHO Cn1ccc2ccc(CN3CC[C@H]([NH+]4CCN(C)CC4)[C@H](CCCO)C3)cc21 ZINC000095386966 211235154 /nfs/dbraw/zinc/23/51/54/211235154.db2.gz DLSPRRLJJGKONM-YADHBBJMSA-N 1 3 384.568 2.389 50 0 GEAAHO CCN1CCN(C[C@@H]2C[N@H+](Cc3ccc(C(F)(F)F)cc3)C[C@@H]2CO)CC1 ZINC000091364989 211189542 /nfs/dbraw/zinc/18/95/42/211189542.db2.gz YFSNMHVYDSIDJB-QZTJIDSGSA-N 1 3 385.474 2.383 50 0 GEAAHO CCN1CCN(C[C@@H]2C[N@@H+](Cc3ccc(C(F)(F)F)cc3)C[C@@H]2CO)CC1 ZINC000091364989 211189545 /nfs/dbraw/zinc/18/95/45/211189545.db2.gz YFSNMHVYDSIDJB-QZTJIDSGSA-N 1 3 385.474 2.383 50 0 GEAAHO CCCN1CC2(C[C@@H]1C(=O)NCCc1nc3ccccc3[nH]1)CC[NH+](C)CC2 ZINC000072463095 211121666 /nfs/dbraw/zinc/12/16/66/211121666.db2.gz FVTBYQGNJDODAW-LJQANCHMSA-N 1 3 383.540 2.418 50 0 GEAAHO Cc1cc(C)c(-n2cccn2)c(C[N@@H+]2CCC[C@@H](Cn3cc(CN)nn3)C2)c1 ZINC000023251687 570352854 /nfs/dbraw/zinc/35/28/54/570352854.db2.gz JUCZQPKZCJERNC-GOSISDBHSA-N 1 3 379.512 2.452 50 0 GEAAHO Cc1cc(C)c(-n2cccn2)c(C[N@H+]2CCC[C@@H](Cn3cc(CN)nn3)C2)c1 ZINC000023251687 570352856 /nfs/dbraw/zinc/35/28/56/570352856.db2.gz JUCZQPKZCJERNC-GOSISDBHSA-N 1 3 379.512 2.452 50 0 GEAAHO CCN1CCC([NH2+]Cc2cccnc2N2CCN(c3ccccn3)CC2)CC1 ZINC000012386112 570650954 /nfs/dbraw/zinc/65/09/54/570650954.db2.gz BIYHGPYFZRLCOB-UHFFFAOYSA-N 1 3 380.540 2.377 50 0 GEAAHO COCCCN(C(=O)[C@H]1CCCN(Cc2ccco2)C1)C1CC[NH+](C)CC1 ZINC000055042170 570679954 /nfs/dbraw/zinc/67/99/54/570679954.db2.gz GVFSHFGUZHAOSS-SFHVURJKSA-N 1 3 377.529 2.451 50 0 GEAAHO O[C@@H](COc1cccc(C[NH+]2CCC(O)CC2)c1)CN1CCc2ccccc2C1 ZINC000095519291 211264272 /nfs/dbraw/zinc/26/42/72/211264272.db2.gz ZKBUGPRHWQNJGR-HSZRJFAPSA-N 1 3 396.531 2.441 50 0 GEAAHO COc1c(C)cc(C)cc1C[N@@H+]1C[C@H](CO)[C@H](CN2CCC(CO)CC2)C1 ZINC000091755840 211205982 /nfs/dbraw/zinc/20/59/82/211205982.db2.gz YVGSCFPMDJUOSC-NHCUHLMSSA-N 1 3 376.541 2.057 50 0 GEAAHO COc1c(C)cc(C)cc1C[N@H+]1C[C@H](CO)[C@H](CN2CCC(CO)CC2)C1 ZINC000091755840 211205985 /nfs/dbraw/zinc/20/59/85/211205985.db2.gz YVGSCFPMDJUOSC-NHCUHLMSSA-N 1 3 376.541 2.057 50 0 GEAAHO COCCN(C)CCN1CC2(CC[NH+](Cc3cccc(C)c3)CC2)OC1=O ZINC000072423486 211116493 /nfs/dbraw/zinc/11/64/93/211116493.db2.gz PZUXCTZDANSUEF-UHFFFAOYSA-N 1 3 375.513 2.360 50 0 GEAAHO CN(C)CCC[N@H+](C)[C@@H]1CCCN(C(=O)c2ccc3sc(N)nc3c2)C1 ZINC000072121061 211071263 /nfs/dbraw/zinc/07/12/63/211071263.db2.gz FXHYVOAUFVBZDA-OAHLLOKOSA-N 1 3 375.542 2.367 50 0 GEAAHO CN(C)CCC[N@@H+](C)[C@@H]1CCCN(C(=O)c2ccc3sc(N)nc3c2)C1 ZINC000072121061 211071268 /nfs/dbraw/zinc/07/12/68/211071268.db2.gz FXHYVOAUFVBZDA-OAHLLOKOSA-N 1 3 375.542 2.367 50 0 GEAAHO CN(C)CCNC(=O)[C@H]1CCC[N@@H+](C2CCN(c3nc4ccccc4o3)CC2)C1 ZINC000071763686 211061110 /nfs/dbraw/zinc/06/11/10/211061110.db2.gz RZPWYZIATQHABF-KRWDZBQOSA-N 1 3 399.539 2.186 50 0 GEAAHO CN(C)CCNC(=O)[C@H]1CCC[N@H+](C2CCN(c3nc4ccccc4o3)CC2)C1 ZINC000071763686 211061115 /nfs/dbraw/zinc/06/11/15/211061115.db2.gz RZPWYZIATQHABF-KRWDZBQOSA-N 1 3 399.539 2.186 50 0 GEAAHO Oc1cccc(N2CCN([C@@H]3c4ccccc4C4(CC[NH2+]CC4)[C@H]3O)CC2)c1 ZINC000020860872 210364150 /nfs/dbraw/zinc/36/41/50/210364150.db2.gz HJAXAPCUJXBXJL-YADHBBJMSA-N 1 3 379.504 2.251 50 0 GEAAHO CCN1CCC2(CC1)OC(=O)C(C)=C2C(=O)NCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000020531751 210344538 /nfs/dbraw/zinc/34/45/38/210344538.db2.gz MEQHXXYXGSHTRW-IRXDYDNUSA-N 1 3 391.556 2.198 50 0 GEAAHO Cc1cc(N2CCC([NH2+][C@H](CO)Cc3c[nH]c4ccccc34)CC2)nc(N)n1 ZINC000095389078 136178887 /nfs/dbraw/zinc/17/88/87/136178887.db2.gz UZCNPNMAIGGDEY-KRWDZBQOSA-N 1 3 380.496 2.011 50 0 GEAAHO Cc1cc(C)n(-c2cccc(C[N@@H+]3CCC[C@@H](Cn4cc(CN)nn4)C3)c2)n1 ZINC000023399187 570361035 /nfs/dbraw/zinc/36/10/35/570361035.db2.gz FNAPORMFLOPYMA-LJQANCHMSA-N 1 3 379.512 2.452 50 0 GEAAHO Cc1cc(C)n(-c2cccc(C[N@H+]3CCC[C@@H](Cn4cc(CN)nn4)C3)c2)n1 ZINC000023399187 570361036 /nfs/dbraw/zinc/36/10/36/570361036.db2.gz FNAPORMFLOPYMA-LJQANCHMSA-N 1 3 379.512 2.452 50 0 GEAAHO COc1ccc(OC[C@H](O)CN2CCC(O)CC2)c(C[N@H+](C)CC2CCC2)c1 ZINC000095523392 571088678 /nfs/dbraw/zinc/08/86/78/571088678.db2.gz QSANPAINMCWUMM-HXUWFJFHSA-N 1 3 392.540 2.124 50 0 GEAAHO COc1ccc(OC[C@H](O)CN2CCC(O)CC2)c(C[N@@H+](C)CC2CCC2)c1 ZINC000095523392 571088680 /nfs/dbraw/zinc/08/86/80/571088680.db2.gz QSANPAINMCWUMM-HXUWFJFHSA-N 1 3 392.540 2.124 50 0 GEAAHO CC(C)CCN1C(=O)N(CCN(C)C)C(=O)C12CC[NH+]([C@@H]1CCSC1)CC2 ZINC000014744018 210125226 /nfs/dbraw/zinc/12/52/26/210125226.db2.gz XGHYQFNGSOPASI-QGZVFWFLSA-N 1 3 396.601 2.198 50 0 GEAAHO CCC[NH+]1CCC2(CC1)CC[N@@H+](Cc1ccc(-c3nnn[n-]3)cc1)C[C@H]2CO ZINC000097425142 211365834 /nfs/dbraw/zinc/36/58/34/211365834.db2.gz BXMFYVUBWTUWEQ-IBGZPJMESA-N 1 3 384.528 2.173 50 0 GEAAHO CCC[NH+]1CCC2(CC1)CC[N@H+](Cc1ccc(-c3nnn[n-]3)cc1)C[C@H]2CO ZINC000097425142 211365828 /nfs/dbraw/zinc/36/58/28/211365828.db2.gz BXMFYVUBWTUWEQ-IBGZPJMESA-N 1 3 384.528 2.173 50 0 GEAAHO CCC[NH+]1CCC2(CC1)CC[N@H+](Cc1ccc(-c3nn[n-]n3)cc1)C[C@H]2CO ZINC000097425142 211365836 /nfs/dbraw/zinc/36/58/36/211365836.db2.gz BXMFYVUBWTUWEQ-IBGZPJMESA-N 1 3 384.528 2.173 50 0 GEAAHO CCC[NH+]1CCC2(CC1)CC[N@@H+](Cc1ccc(-c3nn[n-]n3)cc1)C[C@H]2CO ZINC000097425142 211365839 /nfs/dbraw/zinc/36/58/39/211365839.db2.gz BXMFYVUBWTUWEQ-IBGZPJMESA-N 1 3 384.528 2.173 50 0 GEAAHO C[NH+]1CCC(n2nc(-c3ccc(Cl)cc3)nc2C[C@@H]2CNCCO2)CC1 ZINC000096166015 211316628 /nfs/dbraw/zinc/31/66/28/211316628.db2.gz HPNINVUBEQSITG-QGZVFWFLSA-N 1 3 375.904 2.396 50 0 GEAAHO CCN1CCN(C[C@@H]2C[N@H+](Cc3[nH]c4ccc(C)cc4c3C)C[C@@H]2CO)CC1 ZINC000095392202 211237862 /nfs/dbraw/zinc/23/78/62/211237862.db2.gz FFMOGGZDUVJHSW-WOJBJXKFSA-N 1 3 384.568 2.463 50 0 GEAAHO CCN1CCN(C[C@@H]2C[N@@H+](Cc3[nH]c4ccc(C)cc4c3C)C[C@@H]2CO)CC1 ZINC000095392202 211237865 /nfs/dbraw/zinc/23/78/65/211237865.db2.gz FFMOGGZDUVJHSW-WOJBJXKFSA-N 1 3 384.568 2.463 50 0 GEAAHO CCN1CCN(C[C@@H]2C[N@H+](Cc3[nH]c4ccc(F)cc4c3C)C[C@@H]2CO)CC1 ZINC000095361360 211223596 /nfs/dbraw/zinc/22/35/96/211223596.db2.gz ZILGAILLXVWFMC-QZTJIDSGSA-N 1 3 388.531 2.293 50 0 GEAAHO CCN1CCN(C[C@@H]2C[N@@H+](Cc3[nH]c4ccc(F)cc4c3C)C[C@@H]2CO)CC1 ZINC000095361360 211223597 /nfs/dbraw/zinc/22/35/97/211223597.db2.gz ZILGAILLXVWFMC-QZTJIDSGSA-N 1 3 388.531 2.293 50 0 GEAAHO Cc1nc[nH]c1C(=O)N[C@H]1CC[C@H]1NC1CC[NH+](CCc2ccccc2)CC1 ZINC000072424588 211116060 /nfs/dbraw/zinc/11/60/60/211116060.db2.gz PAAGXZXNOZWRBF-UXHICEINSA-N 1 3 381.524 2.276 50 0 GEAAHO CCCN1CC2(C[C@H]1C(=O)N(C)Cc1nc(C(C)C)no1)CC[NH+](C)CC2 ZINC000072425771 211115720 /nfs/dbraw/zinc/11/57/20/211115720.db2.gz YSFGMARDRLQPHG-INIZCTEOSA-N 1 3 377.533 2.348 50 0 GEAAHO CCCN1CC2(C[C@H]1C(=O)NCc1ccc(O)c(OC)c1)CC[NH+](C)CC2 ZINC000072418766 211115308 /nfs/dbraw/zinc/11/53/08/211115308.db2.gz WGVMBVFFRMGCMR-KRWDZBQOSA-N 1 3 375.513 2.213 50 0 GEAAHO CC(C)(CO)NC(=O)[C@@H]1CCCN(C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000071755274 211059166 /nfs/dbraw/zinc/05/91/66/211059166.db2.gz RHLOONTWBXMITN-HXUWFJFHSA-N 1 3 387.568 2.293 50 0 GEAAHO CCN1CCC2(CC1)OC(=O)C(C)=C2C(=O)NCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000020531750 210343920 /nfs/dbraw/zinc/34/39/20/210343920.db2.gz MEQHXXYXGSHTRW-IAGOWNOFSA-N 1 3 391.556 2.198 50 0 GEAAHO CN1CC2(C[C@H]1C(=O)N1CCN(c3ccccc3Cl)CC1)CC[NH2+]CC2 ZINC000072411917 136169668 /nfs/dbraw/zinc/16/96/68/136169668.db2.gz QTRDLABMPSPUKW-SFHVURJKSA-N 1 3 376.932 2.063 50 0 GEAAHO C[C@@H](O)CC[NH+]1CCC(N2CCC(C(=O)NCCc3ccccc3)CC2)CC1 ZINC000023338983 570355444 /nfs/dbraw/zinc/35/54/44/570355444.db2.gz IWTVFLQTHLHBNQ-LJQANCHMSA-N 1 3 387.568 2.293 50 0 GEAAHO CCCNC(=O)[C@@H]1CCCN(CC[C@H](C)[N@@H+]2CCC[C@@H](C(=O)NCCC)C2)C1 ZINC000245407970 570435778 /nfs/dbraw/zinc/43/57/78/570435778.db2.gz DXOYKLSXPDUCEA-XUVXKRRUSA-N 1 3 394.604 2.241 50 0 GEAAHO CCCNC(=O)[C@@H]1CCCN(CC[C@H](C)[N@H+]2CCC[C@@H](C(=O)NCCC)C2)C1 ZINC000245407970 570435782 /nfs/dbraw/zinc/43/57/82/570435782.db2.gz DXOYKLSXPDUCEA-XUVXKRRUSA-N 1 3 394.604 2.241 50 0 GEAAHO CCCNC(=O)[C@@H]1CCCN([C@@H](C)CC[N@@H+]2CCC[C@@H](C(=O)NCCC)C2)C1 ZINC000245407970 570435786 /nfs/dbraw/zinc/43/57/86/570435786.db2.gz DXOYKLSXPDUCEA-XUVXKRRUSA-N 1 3 394.604 2.241 50 0 GEAAHO CCCNC(=O)[C@@H]1CCCN([C@@H](C)CC[N@H+]2CCC[C@@H](C(=O)NCCC)C2)C1 ZINC000245407970 570435787 /nfs/dbraw/zinc/43/57/87/570435787.db2.gz DXOYKLSXPDUCEA-XUVXKRRUSA-N 1 3 394.604 2.241 50 0 GEAAHO CCCN1CC2(C[C@@H]1C(=O)N(C)Cc1cn(CC)nc1C)CC[NH+](C)CC2 ZINC000426628836 570503016 /nfs/dbraw/zinc/50/30/16/570503016.db2.gz UJOBOGXTPABBMP-LJQANCHMSA-N 1 3 375.561 2.366 50 0 GEAAHO CCN1CCC[C@H]1CNC(=O)CCC1CC[NH+](C2CCN(C(C)=O)CC2)CC1 ZINC000011662412 570577389 /nfs/dbraw/zinc/57/73/89/570577389.db2.gz SHSIMDTUAJRITR-NRFANRHFSA-N 1 3 392.588 2.090 50 0 GEAAHO Cc1cccc(N2CCN(CCC(=O)NCCNc3cc[nH+]cc3C)CC2)c1 ZINC000252481127 570728152 /nfs/dbraw/zinc/72/81/52/570728152.db2.gz CHYVAOYXYGSGIS-UHFFFAOYSA-N 1 3 381.524 2.439 50 0 GEAAHO O=C(NCCN1CCCCC1)c1cccnc1N1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000065255859 570754382 /nfs/dbraw/zinc/75/43/82/570754382.db2.gz FYFOUIPZZPCBIY-OAQYLSRUSA-N 1 3 393.535 2.448 50 0 GEAAHO Cc1sc2nc(CC[NH3+])nc(N(CCN(C)C)C[C@@H]3CCCO3)c2c1C ZINC000065381679 570762984 /nfs/dbraw/zinc/76/29/84/570762984.db2.gz POUAGMNWCKKVCQ-HNNXBMFYSA-N 1 3 377.558 2.356 50 0 GEAAHO COc1ccc(C[N@H+](C)CC(C)C)cc1OC[C@H](O)CN1CCCN(C)CC1 ZINC000019228479 210233034 /nfs/dbraw/zinc/23/30/34/210233034.db2.gz OQLWDXPXIAAHJV-HXUWFJFHSA-N 1 3 393.572 2.160 50 0 GEAAHO COc1ccc(C[N@@H+](C)CC(C)C)cc1OC[C@H](O)CN1CCCN(C)CC1 ZINC000019228479 210233040 /nfs/dbraw/zinc/23/30/40/210233040.db2.gz OQLWDXPXIAAHJV-HXUWFJFHSA-N 1 3 393.572 2.160 50 0 GEAAHO COc1ccc(CN2CCN(C(C)C)CC2)cc1OC[C@@H](O)C[N@H+](C)C(C)C ZINC000095522479 211267818 /nfs/dbraw/zinc/26/78/18/211267818.db2.gz GVLJLHYJOJDSMY-FQEVSTJZSA-N 1 3 393.572 2.301 50 0 GEAAHO COc1ccc(CN2CCN(C(C)C)CC2)cc1OC[C@@H](O)C[N@@H+](C)C(C)C ZINC000095522479 211267824 /nfs/dbraw/zinc/26/78/24/211267824.db2.gz GVLJLHYJOJDSMY-FQEVSTJZSA-N 1 3 393.572 2.301 50 0 GEAAHO O[C@H](COc1ccc(C[NH+]2CCC(O)CC2)cc1)CN1CCc2ccccc2C1 ZINC000095516999 211265305 /nfs/dbraw/zinc/26/53/05/211265305.db2.gz KWPOQVTTWISEKF-QHCPKHFHSA-N 1 3 396.531 2.441 50 0 GEAAHO COc1ccc(CN2CCC(CCO)CC2)cc1OC[C@@H](O)C[NH+]1CCCC1 ZINC000095512540 211262965 /nfs/dbraw/zinc/26/29/65/211262965.db2.gz UPWSNHLQTVKAAY-FQEVSTJZSA-N 1 3 392.540 2.125 50 0 GEAAHO c1cn(C2CCN(Cc3ccccn3)CC2)c(-c2cn(C3CC[NH2+]CC3)nn2)n1 ZINC000091756682 211204815 /nfs/dbraw/zinc/20/48/15/211204815.db2.gz YIJGMDYOQQRZBR-UHFFFAOYSA-N 1 3 392.511 2.298 50 0 GEAAHO COc1ccc(CN2CC[C@H]([NH+]3CCN(C)CC3)[C@H](CCCO)C2)c(C)c1 ZINC000091326901 211189516 /nfs/dbraw/zinc/18/95/16/211189516.db2.gz IHUKKNCIURHSQW-IRLDBZIGSA-N 1 3 375.557 2.214 50 0 GEAAHO O[C@H]1CN(c2cc[nH+]c3ccccc32)C[C@@H]1N1CCN(c2ccccn2)CC1 ZINC000072149619 136167015 /nfs/dbraw/zinc/16/70/15/136167015.db2.gz IIZBBKCVTRZWOQ-SFTDATJTSA-N 1 3 375.476 2.002 50 0 GEAAHO CN1CCN(C[C@H](O)COc2ccc(C[NH2+]C3(c4ccccc4)CC3)cc2)CC1 ZINC000023358873 570356464 /nfs/dbraw/zinc/35/64/64/570356464.db2.gz QMUOJEQPUAGWJY-QFIPXVFZSA-N 1 3 395.547 2.453 50 0 GEAAHO O=C(NCCC[NH+]1CCCC1)c1ccnc(N2CCN[C@H](c3ccccc3)C2)c1 ZINC000065256025 570754591 /nfs/dbraw/zinc/75/45/91/570754591.db2.gz JCANTBBRSYTQOB-NRFANRHFSA-N 1 3 393.535 2.448 50 0 GEAAHO COc1ccc(COC[C@@H](O)CNC2CC(C)(C)[NH2+]C(C)(C)C2)cc1OC ZINC000005866416 570799285 /nfs/dbraw/zinc/79/92/85/570799285.db2.gz JRAFYZJUFFVRCU-KRWDZBQOSA-N 1 3 380.529 2.480 50 0 GEAAHO COc1ccc(COC[C@@H](O)C[NH2+]C2CC(C)(C)NC(C)(C)C2)cc1OC ZINC000005866416 570799288 /nfs/dbraw/zinc/79/92/88/570799288.db2.gz JRAFYZJUFFVRCU-KRWDZBQOSA-N 1 3 380.529 2.480 50 0 GEAAHO Cn1c(CN2CCCC2)nnc1C1CCN(Cc2ccc(CC[NH3+])cc2)CC1 ZINC000096148839 211309227 /nfs/dbraw/zinc/30/92/27/211309227.db2.gz MWGTUVXXHBVDQW-UHFFFAOYSA-N 1 3 382.556 2.292 50 0 GEAAHO CC[NH+](CC)C[C@H](O)COc1ccc(CN2CCN(C)C(C)(C)C2)cc1OC ZINC000095508846 211260047 /nfs/dbraw/zinc/26/00/47/211260047.db2.gz PVMNTEHMXGVDCH-IBGZPJMESA-N 1 3 393.572 2.303 50 0 GEAAHO CCN1CCN(C[C@@H]2C[N@H+](Cc3ccc4cc(F)ccc4n3)C[C@@H]2CO)CC1 ZINC000095368474 211227363 /nfs/dbraw/zinc/22/73/63/211227363.db2.gz AGBHJECUZSNNJN-RTBURBONSA-N 1 3 386.515 2.052 50 0 GEAAHO CCN1CCN(C[C@@H]2C[N@@H+](Cc3ccc4cc(F)ccc4n3)C[C@@H]2CO)CC1 ZINC000095368474 211227367 /nfs/dbraw/zinc/22/73/67/211227367.db2.gz AGBHJECUZSNNJN-RTBURBONSA-N 1 3 386.515 2.052 50 0 GEAAHO CN(C)CCNC(=O)C1CC[NH+](C2CCN(c3nc4ccccc4o3)CC2)CC1 ZINC000071422188 211048597 /nfs/dbraw/zinc/04/85/97/211048597.db2.gz XKCQHSMUIXTZHX-UHFFFAOYSA-N 1 3 399.539 2.186 50 0 GEAAHO CCC[NH+]1CCC(N2C[C@H](NCc3cccc(Cl)c3)C[C@H]2C(=O)NC)CC1 ZINC000020256294 210324191 /nfs/dbraw/zinc/32/41/91/210324191.db2.gz ZAFKIMOIVORCKN-QUCCMNQESA-N 1 3 392.975 2.493 50 0 GEAAHO Cc1cc(N2CCC([NH2+]CCc3cnn(-c4ccccc4)c3)CC2)nc(N)n1 ZINC000095352678 136177918 /nfs/dbraw/zinc/17/79/18/136177918.db2.gz KWZGSUBDEGTSSW-UHFFFAOYSA-N 1 3 377.496 2.354 50 0 GEAAHO CCN1CCC[C@@H]1CNC(=O)CCC1CC[NH+](C2CCN(C(C)=O)CC2)CC1 ZINC000011662411 570577434 /nfs/dbraw/zinc/57/74/34/570577434.db2.gz SHSIMDTUAJRITR-OAQYLSRUSA-N 1 3 392.588 2.090 50 0 GEAAHO COc1cc(CN2CCC(C(=O)NCC(C)(C)C[NH+](C)C)CC2)ccc1O ZINC000012630685 570693430 /nfs/dbraw/zinc/69/34/30/570693430.db2.gz WBAIMVBYYVKYOW-UHFFFAOYSA-N 1 3 377.529 2.317 50 0 GEAAHO O=C(Cn1ccc([C@H]2CCC[NH2+]C2)n1)NCCN1CCC(c2ccccc2)CC1 ZINC000426474184 231224954 /nfs/dbraw/zinc/22/49/54/231224954.db2.gz GXXXMKDZKGASSI-NRFANRHFSA-N 1 3 395.551 2.346 50 0 GEAAHO COC(=O)c1ccc(C[NH+]2CCC(CCC(=O)NCCN(C)C)CC2)cc1 ZINC000012750048 210001698 /nfs/dbraw/zinc/00/16/98/210001698.db2.gz UARRPZUKSKJODS-UHFFFAOYSA-N 1 3 375.513 2.143 50 0 GEAAHO Cc1nccc(C2CCN(Cc3ccc(OC[C@H](O)C[NH+](C)C)cc3)CC2)n1 ZINC000095531107 211275759 /nfs/dbraw/zinc/27/57/59/211275759.db2.gz VYGYDJXWTBJYQV-HXUWFJFHSA-N 1 3 384.524 2.466 50 0 GEAAHO C[N@H+](CCCO)Cc1cccc(OC[C@H](O)CN2CCc3ccccc3C2)c1 ZINC000095524992 211269058 /nfs/dbraw/zinc/26/90/58/211269058.db2.gz GNPOBUVOANUQFO-JOCHJYFZSA-N 1 3 384.520 2.299 50 0 GEAAHO C[N@@H+](CCCO)Cc1cccc(OC[C@H](O)CN2CCc3ccccc3C2)c1 ZINC000095524992 211269064 /nfs/dbraw/zinc/26/90/64/211269064.db2.gz GNPOBUVOANUQFO-JOCHJYFZSA-N 1 3 384.520 2.299 50 0 GEAAHO COc1ccc(OC[C@H](O)CN2CCC(O)CC2)c(C[NH+]2CCCCCC2)c1 ZINC000095504874 211258086 /nfs/dbraw/zinc/25/80/86/211258086.db2.gz HSBFCTANUKBNEH-HXUWFJFHSA-N 1 3 392.540 2.268 50 0 GEAAHO Cc1nc(CNC(=O)[C@H]2CCC[N@@H+](C3CCN(Cc4ccccc4)CC3)C2)n[nH]1 ZINC000071768059 211059823 /nfs/dbraw/zinc/05/98/23/211059823.db2.gz UNTWYSZXYRIVTJ-IBGZPJMESA-N 1 3 396.539 2.106 50 0 GEAAHO Cc1nc(CNC(=O)[C@H]2CCC[N@H+](C3CCN(Cc4ccccc4)CC3)C2)n[nH]1 ZINC000071768059 211059827 /nfs/dbraw/zinc/05/98/27/211059827.db2.gz UNTWYSZXYRIVTJ-IBGZPJMESA-N 1 3 396.539 2.106 50 0 GEAAHO COc1ccc(C[NH2+]CC2CCOCC2)c(OC[C@@H](O)CN2CCCC2)c1 ZINC000012710413 221220124 /nfs/dbraw/zinc/22/01/24/221220124.db2.gz DUWUXRSTKJHUCL-IBGZPJMESA-N 1 3 378.513 2.047 50 0 GEAAHO O[C@@H](COc1ccccc1CNCCOc1cccnc1)C[NH+]1CCCCC1 ZINC000011843961 570588387 /nfs/dbraw/zinc/58/83/87/570588387.db2.gz FJBWYQSMNLDRHS-HXUWFJFHSA-N 1 3 385.508 2.476 50 0 GEAAHO O=C1CCCN1CCC[NH2+]Cc1ccc(OC[C@H](O)CN2CCCCC2)cc1 ZINC000012076735 570605803 /nfs/dbraw/zinc/60/58/03/570605803.db2.gz WRBGVFILZKLFNC-HXUWFJFHSA-N 1 3 389.540 2.014 50 0 GEAAHO O=C1CCCN1CCC[NH2+]Cc1ccc(OC[C@@H](O)CN2CCCCC2)cc1 ZINC000012076737 570605879 /nfs/dbraw/zinc/60/58/79/570605879.db2.gz WRBGVFILZKLFNC-FQEVSTJZSA-N 1 3 389.540 2.014 50 0 GEAAHO CCN1CCC[C@@H]1CN(CC1CC[NH+](CCOC)CC1)C(=O)c1ocnc1C ZINC000012303630 570637632 /nfs/dbraw/zinc/63/76/32/570637632.db2.gz ZWQJTGNZZOCIOQ-LJQANCHMSA-N 1 3 392.544 2.268 50 0 GEAAHO O[C@H](COc1cccc(OC[C@@H](O)C[NH+]2CCCCC2)c1)CN1CCCCC1 ZINC000000864302 212191402 /nfs/dbraw/zinc/19/14/02/212191402.db2.gz FHFSLXLDKXBOQN-PMACEKPBSA-N 1 3 392.540 2.138 50 0 GEAAHO COc1cc(CN(C)CCc2cn[nH]c2)ccc1OC[C@H](O)C[N@H+](C)C(C)C ZINC000015068239 221329503 /nfs/dbraw/zinc/32/95/03/221329503.db2.gz BABKZIKJZHOMGZ-LJQANCHMSA-N 1 3 390.528 2.173 50 0 GEAAHO COc1cc(CN(C)CCc2cn[nH]c2)ccc1OC[C@H](O)C[N@@H+](C)C(C)C ZINC000015068239 221329505 /nfs/dbraw/zinc/32/95/05/221329505.db2.gz BABKZIKJZHOMGZ-LJQANCHMSA-N 1 3 390.528 2.173 50 0 GEAAHO O=C(NCCCCO)[C@@H]1CCCN(C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000071748862 222189261 /nfs/dbraw/zinc/18/92/61/222189261.db2.gz VLFZDBBKULFZQJ-OAQYLSRUSA-N 1 3 399.579 2.219 50 0 GEAAHO CCN1CCN(Cc2ccc(OC)c(OC[C@@H](O)C[NH+]3CCCCC3)c2)CC1 ZINC000095516726 222344965 /nfs/dbraw/zinc/34/49/65/222344965.db2.gz NZYWOFUZYRWLIY-FQEVSTJZSA-N 1 3 391.556 2.058 50 0 GEAAHO COc1cc(C[N@@H+]2CCCC2(C)C)ccc1OC[C@H](O)CN1CCC(O)CC1 ZINC000095521917 222346481 /nfs/dbraw/zinc/34/64/81/222346481.db2.gz RSCMYVZQMABVMQ-LJQANCHMSA-N 1 3 392.540 2.266 50 0 GEAAHO COc1cc(C[N@H+]2CCCC2(C)C)ccc1OC[C@H](O)CN1CCC(O)CC1 ZINC000095521917 222346484 /nfs/dbraw/zinc/34/64/84/222346484.db2.gz RSCMYVZQMABVMQ-LJQANCHMSA-N 1 3 392.540 2.266 50 0 GEAAHO C[NH+](C)CCN(C[C@@H]1CCCN(Cc2ccccc2F)C1)C(=O)c1c[nH]cn1 ZINC000095530518 222352632 /nfs/dbraw/zinc/35/26/32/222352632.db2.gz QUVPROYLDXPCPW-QGZVFWFLSA-N 1 3 387.503 2.465 50 0 GEAAHO O=C(NCCN1CC[C@@H](c2ccccc2)C1)N1CCN(c2cc[nH+]cc2)CC1 ZINC000426517600 534340355 /nfs/dbraw/zinc/34/03/55/534340355.db2.gz PUQONECGMJJEBF-HXUWFJFHSA-N 1 3 379.508 2.403 50 0 GEAAHO CN1CCC([N@@H+]2CCN(Cc3ccc(OC(F)F)cc3)C[C@@H]2CCO)CC1 ZINC000020534301 570265797 /nfs/dbraw/zinc/26/57/97/570265797.db2.gz LDOSKCAAKASYPQ-SFHVURJKSA-N 1 3 383.483 2.251 50 0 GEAAHO CN1CCC([N@H+]2CCN(Cc3ccc(OC(F)F)cc3)C[C@@H]2CCO)CC1 ZINC000020534301 570265798 /nfs/dbraw/zinc/26/57/98/570265798.db2.gz LDOSKCAAKASYPQ-SFHVURJKSA-N 1 3 383.483 2.251 50 0 GEAAHO O=C(NCCC[NH+]1CCCC1)c1cccnc1N1CCN[C@@H](c2ccccc2)C1 ZINC000065255857 570754341 /nfs/dbraw/zinc/75/43/41/570754341.db2.gz AOHUNCGPHHEITP-OAQYLSRUSA-N 1 3 393.535 2.448 50 0 GEAAHO C[C@@H](CO)NC(=O)C1CCN(C2CC[NH+](CCCc3ccccc3)CC2)CC1 ZINC000019224262 570963917 /nfs/dbraw/zinc/96/39/17/570963917.db2.gz ONMYUQUHBPCNTK-IBGZPJMESA-N 1 3 387.568 2.293 50 0 GEAAHO COc1ccc(CN2CCC3(CCC(=O)N(CC[NH+](C)C)C3)CC2)cc1O ZINC000091535719 571013328 /nfs/dbraw/zinc/01/33/28/571013328.db2.gz VNABRTLVYTZTPJ-UHFFFAOYSA-N 1 3 375.513 2.167 50 0 GEAAHO CCOCCNC(=O)[C@@H]1CCCN(C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000091747067 571029403 /nfs/dbraw/zinc/02/94/03/571029403.db2.gz JLVYDEQHIJXOIT-OAQYLSRUSA-N 1 3 399.579 2.483 50 0 GEAAHO O=C(NC1CC1)C1CCN(C2CC[NH+](C3CSCCSC3)CC2)CC1 ZINC000012586131 642372975 /nfs/dbraw/zinc/37/29/75/642372975.db2.gz XIMQJXBZSWDMKB-UHFFFAOYSA-N 1 3 383.627 2.290 50 0 GEAAHO COc1cc(CN2CCN(C)C(C)(C)C2)ccc1OC[C@@H](O)C[NH+]1CCCC1 ZINC000108272702 231020399 /nfs/dbraw/zinc/02/03/99/231020399.db2.gz GRMYNGSXYFMCEN-IBGZPJMESA-N 1 3 391.556 2.057 50 0 GEAAHO COc1ccc(OC[C@H](O)C[NH+](C)C)c(CNCCc2ccccc2F)c1 ZINC000011946431 221140146 /nfs/dbraw/zinc/14/01/46/221140146.db2.gz RYSFLJGJKMJLNN-GOSISDBHSA-N 1 3 376.472 2.468 50 0 GEAAHO CCN1CCC[C@@H]1CN(CC1CC[NH+](CCOC)CC1)C(=O)c1ccncc1 ZINC000012443225 221194865 /nfs/dbraw/zinc/19/48/65/221194865.db2.gz BWVMITIJLJSWDX-OAQYLSRUSA-N 1 3 388.556 2.367 50 0 GEAAHO CN(C)[C@@H]1CCN(C(=O)[C@H]2C[NH2+]C[C@@H](COc3cccc(C(F)(F)F)c3)C2)C1 ZINC000014747560 221316442 /nfs/dbraw/zinc/31/64/42/221316442.db2.gz RWLOULCYPJSWLA-ZMSDIMECSA-N 1 3 399.457 2.472 50 0 GEAAHO O=C(NCCCCO)[C@H]1CCCN(C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000071748861 222189947 /nfs/dbraw/zinc/18/99/47/222189947.db2.gz VLFZDBBKULFZQJ-NRFANRHFSA-N 1 3 399.579 2.219 50 0 GEAAHO COCCNC(=O)[C@H]1CCCN(C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000067434888 222146305 /nfs/dbraw/zinc/14/63/05/222146305.db2.gz KKQOPGGOQBTVCH-FQEVSTJZSA-N 1 3 385.552 2.093 50 0 GEAAHO CCN(CC)Cc1cnc2c(C(=O)N3CCC([NH+]4CCCC4)CC3)cnn2c1 ZINC000067885806 222165667 /nfs/dbraw/zinc/16/56/67/222165667.db2.gz LHPRQOGIAQGTFY-UHFFFAOYSA-N 1 3 384.528 2.272 50 0 GEAAHO COCCN(C)C(=O)[C@@H]1CCCN(C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000071752857 222192409 /nfs/dbraw/zinc/19/24/09/222192409.db2.gz ZNHZVQCGWXVKKP-OAQYLSRUSA-N 1 3 399.579 2.435 50 0 GEAAHO COc1ccc(OC[C@H](O)CN2CCC(O)CC2)c(C[N@@H+]2CCCC2(C)C)c1 ZINC000095520491 222346888 /nfs/dbraw/zinc/34/68/88/222346888.db2.gz FWOQTRAAWDIXRH-LJQANCHMSA-N 1 3 392.540 2.266 50 0 GEAAHO COc1ccc(OC[C@H](O)CN2CCC(O)CC2)c(C[N@H+]2CCCC2(C)C)c1 ZINC000095520491 222346891 /nfs/dbraw/zinc/34/68/91/222346891.db2.gz FWOQTRAAWDIXRH-LJQANCHMSA-N 1 3 392.540 2.266 50 0 GEAAHO COc1cc(C[N@H+](C)C2CCOCC2)ccc1OC[C@H](O)CN1CCCC1 ZINC000095520194 222346990 /nfs/dbraw/zinc/34/69/90/222346990.db2.gz OKGJBOIJBOWGHB-LJQANCHMSA-N 1 3 378.513 2.142 50 0 GEAAHO COc1cc(C[N@@H+](C)C2CCOCC2)ccc1OC[C@H](O)CN1CCCC1 ZINC000095520194 222346995 /nfs/dbraw/zinc/34/69/95/222346995.db2.gz OKGJBOIJBOWGHB-LJQANCHMSA-N 1 3 378.513 2.142 50 0 GEAAHO CC[NH+](CC)C[C@H](O)COc1cc(CN2CCN(C)C(C)(C)C2)ccc1OC ZINC000095525413 222349318 /nfs/dbraw/zinc/34/93/18/222349318.db2.gz GUTNCOVXTNYDGY-IBGZPJMESA-N 1 3 393.572 2.303 50 0 GEAAHO COc1cc(C[N@@H+]2CCCC2(C)C)ccc1OC[C@@H](O)CN1CCC(O)CC1 ZINC000095521918 222345772 /nfs/dbraw/zinc/34/57/72/222345772.db2.gz RSCMYVZQMABVMQ-IBGZPJMESA-N 1 3 392.540 2.266 50 0 GEAAHO COc1cc(C[N@H+]2CCCC2(C)C)ccc1OC[C@@H](O)CN1CCC(O)CC1 ZINC000095521918 222345775 /nfs/dbraw/zinc/34/57/75/222345775.db2.gz RSCMYVZQMABVMQ-IBGZPJMESA-N 1 3 392.540 2.266 50 0 GEAAHO CN1CCN(Cc2cc(C[NH+]3CCCC3)cs2)C[C@@]12CCNC(=O)CC2 ZINC000107413721 570309392 /nfs/dbraw/zinc/30/93/92/570309392.db2.gz ZVDZWOVHMRWIGZ-HXUWFJFHSA-N 1 3 376.570 2.130 50 0 GEAAHO CN(CCc1cnn(C)c1)Cc1ccccc1OC[C@H](O)C[NH+]1CCCCC1 ZINC000023340108 570355806 /nfs/dbraw/zinc/35/58/06/570355806.db2.gz VDLSSCXHKMPMFT-OAQYLSRUSA-N 1 3 386.540 2.320 50 0 GEAAHO O=C(NCCN1CCCCC1)c1cccnc1N1CC[NH2+][C@H](c2ccccc2)C1 ZINC000065255858 570754239 /nfs/dbraw/zinc/75/42/39/570754239.db2.gz FYFOUIPZZPCBIY-NRFANRHFSA-N 1 3 393.535 2.448 50 0 GEAAHO C[C@@H](C1CC[NH+](CCN2CCN(c3ccccc3)CC2)CC1)N1CCOCC1 ZINC000299799559 570897529 /nfs/dbraw/zinc/89/75/29/570897529.db2.gz SRZZEEQJFABXRG-NRFANRHFSA-N 1 3 386.584 2.241 50 0 GEAAHO Cn1c(C[N@@H+]2CC[C@H](N3CCN(C)CC3)[C@H](CCCO)C2)cc2ccccc21 ZINC000091435054 571007523 /nfs/dbraw/zinc/00/75/23/571007523.db2.gz UYIOEDUSYLYSGT-OFNKIYASSA-N 1 3 384.568 2.389 50 0 GEAAHO Cn1c(C[N@H+]2CC[C@H](N3CCN(C)CC3)[C@H](CCCO)C2)cc2ccccc21 ZINC000091435054 571007525 /nfs/dbraw/zinc/00/75/25/571007525.db2.gz UYIOEDUSYLYSGT-OFNKIYASSA-N 1 3 384.568 2.389 50 0 GEAAHO O[C@@H](COc1cccc(OC[C@H](O)C[NH+]2CCCCC2)c1)CN1CCCCC1 ZINC000000864299 212191008 /nfs/dbraw/zinc/19/10/08/212191008.db2.gz FHFSLXLDKXBOQN-WOJBJXKFSA-N 1 3 392.540 2.138 50 0 GEAAHO CC[NH+](CC)C[C@H](O)COc1ccc(CN(C)CCc2cn[nH]c2)cc1OC ZINC000012385343 221188187 /nfs/dbraw/zinc/18/81/87/221188187.db2.gz KJHOSICZQKECAZ-IBGZPJMESA-N 1 3 390.528 2.174 50 0 GEAAHO CCN1CCC[C@H]1CN(CC1CC[NH+](CCOC)CC1)C(=O)c1cccnc1 ZINC000015068747 221329708 /nfs/dbraw/zinc/32/97/08/221329708.db2.gz WYHBRHDRGGMNJS-NRFANRHFSA-N 1 3 388.556 2.367 50 0 GEAAHO COc1cc(OC)c(CN2CCCN(C)C3(CC[NH+](C)CC3)C2)c(OC)c1 ZINC000067786927 222159428 /nfs/dbraw/zinc/15/94/28/222159428.db2.gz MORICTOIIATSDC-UHFFFAOYSA-N 1 3 377.529 2.314 50 0 GEAAHO CN(C)CCC[N@H+](C)[C@H]1CCCN(C(=O)c2ccc3sc(N)nc3c2)C1 ZINC000072121062 222207228 /nfs/dbraw/zinc/20/72/28/222207228.db2.gz FXHYVOAUFVBZDA-HNNXBMFYSA-N 1 3 375.542 2.367 50 0 GEAAHO CN(C)CCC[N@@H+](C)[C@H]1CCCN(C(=O)c2ccc3sc(N)nc3c2)C1 ZINC000072121062 222207231 /nfs/dbraw/zinc/20/72/31/222207231.db2.gz FXHYVOAUFVBZDA-HNNXBMFYSA-N 1 3 375.542 2.367 50 0 GEAAHO CCN(CCc1nc2cc(C)ccc2[nH]1)C(=O)[C@@H]1CC2(CN1C)CC[NH2+]CC2 ZINC000072430557 222258852 /nfs/dbraw/zinc/25/88/52/222258852.db2.gz OWWCEDUZNHZAPO-IBGZPJMESA-N 1 3 383.540 2.336 50 0 GEAAHO CCN(CCc1nc2ccc(C)cc2[nH]1)C(=O)[C@@H]1CC2(CN1C)CC[NH2+]CC2 ZINC000072430557 222258858 /nfs/dbraw/zinc/25/88/58/222258858.db2.gz OWWCEDUZNHZAPO-IBGZPJMESA-N 1 3 383.540 2.336 50 0 GEAAHO COc1ccc(CN(C)C2CCOCC2)c(OC[C@@H](O)C[NH+]2CCCC2)c1 ZINC000095497077 222332781 /nfs/dbraw/zinc/33/27/81/222332781.db2.gz JRXGWNKBAJYAPS-IBGZPJMESA-N 1 3 378.513 2.142 50 0 GEAAHO C[N@H+](CCCO)Cc1ccccc1OC[C@@H](O)CN1CCc2ccccc2C1 ZINC000095515322 222344298 /nfs/dbraw/zinc/34/42/98/222344298.db2.gz ZIFQPIIOHQVRTL-QFIPXVFZSA-N 1 3 384.520 2.299 50 0 GEAAHO C[N@@H+](CCCO)Cc1ccccc1OC[C@@H](O)CN1CCc2ccccc2C1 ZINC000095515322 222344301 /nfs/dbraw/zinc/34/43/01/222344301.db2.gz ZIFQPIIOHQVRTL-QFIPXVFZSA-N 1 3 384.520 2.299 50 0 GEAAHO C[N@H+](CCCO)Cc1ccccc1OC[C@H](O)CN1CCc2ccccc2C1 ZINC000095515321 222344721 /nfs/dbraw/zinc/34/47/21/222344721.db2.gz ZIFQPIIOHQVRTL-JOCHJYFZSA-N 1 3 384.520 2.299 50 0 GEAAHO C[N@@H+](CCCO)Cc1ccccc1OC[C@H](O)CN1CCc2ccccc2C1 ZINC000095515321 222344723 /nfs/dbraw/zinc/34/47/23/222344723.db2.gz ZIFQPIIOHQVRTL-JOCHJYFZSA-N 1 3 384.520 2.299 50 0 GEAAHO [NH3+]CCc1cccc(CN2CCC3(CC2)c2nc[nH]c2CCN3C(=O)C2CC2)c1 ZINC000095521980 222347294 /nfs/dbraw/zinc/34/72/94/222347294.db2.gz SEHWCCKCSYINMR-UHFFFAOYSA-N 1 3 393.535 2.197 50 0 GEAAHO C[NH+]1CCC(n2nc(-c3ccc(Cl)cc3)nc2C[C@H]2CNCCO2)CC1 ZINC000096166016 222395664 /nfs/dbraw/zinc/39/56/64/222395664.db2.gz HPNINVUBEQSITG-KRWDZBQOSA-N 1 3 375.904 2.396 50 0 GEAAHO O=c1cc(CN2CCC3(CC2)c2ccccc2[C@@H]([NH+]2CCCC2)[C@@H]3O)cc[nH]1 ZINC000020256317 570250201 /nfs/dbraw/zinc/25/02/01/570250201.db2.gz WTAFWPCLXXZTNT-YADHBBJMSA-N 1 3 379.504 2.420 50 0 GEAAHO CN(CCc1cnn(C)c1)Cc1ccccc1OC[C@@H](O)C[NH+]1CCCCC1 ZINC000023340106 570355834 /nfs/dbraw/zinc/35/58/34/570355834.db2.gz VDLSSCXHKMPMFT-NRFANRHFSA-N 1 3 386.540 2.320 50 0 GEAAHO O=C(NC[C@H]1CCCO1)C1CC[NH+](C2CCN(C3CCSCC3)CC2)CC1 ZINC000011815320 221128537 /nfs/dbraw/zinc/12/85/37/221128537.db2.gz BJJQNSPHTGEFTP-HXUWFJFHSA-N 1 3 395.613 2.354 50 0 GEAAHO Cc1sc2nc(CC[NH3+])nc(N3CCN(CC4CC4)[C@@H](CCO)C3)c2c1C ZINC000106257168 136191622 /nfs/dbraw/zinc/19/16/22/136191622.db2.gz XHQWUSYEUBULQC-INIZCTEOSA-N 1 3 389.569 2.092 50 0 GEAAHO COc1ccc(CN(C)C(=O)[C@@H]2CC3(CN2C)CC[NH2+]CC3)c2cccnc12 ZINC000072412340 222256927 /nfs/dbraw/zinc/25/69/27/222256927.db2.gz PVNSIYIFDMUIDB-SFHVURJKSA-N 1 3 382.508 2.276 50 0 GEAAHO CC[N@H+](CCO)Cc1cccc(OC[C@@H](O)CN2CCc3ccccc3C2)c1 ZINC000095503681 222335505 /nfs/dbraw/zinc/33/55/05/222335505.db2.gz OSYJOLRMAWPSEH-QFIPXVFZSA-N 1 3 384.520 2.299 50 0 GEAAHO CC[N@@H+](CCO)Cc1cccc(OC[C@@H](O)CN2CCc3ccccc3C2)c1 ZINC000095503681 222335510 /nfs/dbraw/zinc/33/55/10/222335510.db2.gz OSYJOLRMAWPSEH-QFIPXVFZSA-N 1 3 384.520 2.299 50 0 GEAAHO C[N@H+](CCCO)Cc1cccc(OC[C@@H](O)CN2CCc3ccccc3C2)c1 ZINC000095524993 222348486 /nfs/dbraw/zinc/34/84/86/222348486.db2.gz GNPOBUVOANUQFO-QFIPXVFZSA-N 1 3 384.520 2.299 50 0 GEAAHO C[N@@H+](CCCO)Cc1cccc(OC[C@@H](O)CN2CCc3ccccc3C2)c1 ZINC000095524993 222348491 /nfs/dbraw/zinc/34/84/91/222348491.db2.gz GNPOBUVOANUQFO-QFIPXVFZSA-N 1 3 384.520 2.299 50 0 GEAAHO CCN1CCC[C@H]1CN(CC1CC[NH+](CCOC)CC1)C(=O)C1CCOCC1 ZINC000012073878 221147310 /nfs/dbraw/zinc/14/73/10/221147310.db2.gz PJALIRLIIVAHQY-NRFANRHFSA-N 1 3 395.588 2.084 50 0 GEAAHO C[NH+]1CCC(CN2CCN(CCC(=O)N3CCCc4ccccc43)CC2)CC1 ZINC000065403964 136163908 /nfs/dbraw/zinc/16/39/08/136163908.db2.gz LEWYWWDWRMOGRL-UHFFFAOYSA-N 1 3 384.568 2.315 50 0 GEAAHO COCCN(C)CCN1CC2(CC[NH+](Cc3ccc(C)cc3)CC2)OC1=O ZINC000072409527 222255498 /nfs/dbraw/zinc/25/54/98/222255498.db2.gz XZOZLDHDZQVGTK-UHFFFAOYSA-N 1 3 375.513 2.360 50 0 GEAAHO C[NH+]1CCC(N(CCc2ccccc2)C(=O)[C@@H](N)Cc2ccc(O)cc2)CC1 ZINC000072417981 222256432 /nfs/dbraw/zinc/25/64/32/222256432.db2.gz PAZMARUGZWPMRG-QFIPXVFZSA-N 1 3 381.520 2.428 50 0 GEAAHO COc1ccc(CN(C)C(=O)[C@H]2CC3(CN2C)CC[NH2+]CC3)c2cccnc12 ZINC000072412339 222257364 /nfs/dbraw/zinc/25/73/64/222257364.db2.gz PVNSIYIFDMUIDB-GOSISDBHSA-N 1 3 382.508 2.276 50 0 GEAAHO CCCN1CC2(C[C@@H]1C(=O)N(C)CCCc1cnn(C)c1)CC[NH+](C)CC2 ZINC000072425865 222258599 /nfs/dbraw/zinc/25/85/99/222258599.db2.gz SPDKJHWUMNMFMQ-LJQANCHMSA-N 1 3 375.561 2.007 50 0 GEAAHO Cc1cccc(-n2cc(CN(C)C(=O)[C@@H]3CC4(CN3C)CC[NH2+]CC4)cn2)c1 ZINC000072477430 222264672 /nfs/dbraw/zinc/26/46/72/222264672.db2.gz LBIQQEFTYMECGP-FQEVSTJZSA-N 1 3 381.524 2.213 50 0 GEAAHO O[C@H](COc1cccc(C[NH+]2CCC(O)CC2)c1)CN1CCc2ccccc2C1 ZINC000095519290 222346620 /nfs/dbraw/zinc/34/66/20/222346620.db2.gz ZKBUGPRHWQNJGR-QHCPKHFHSA-N 1 3 396.531 2.441 50 0 GEAAHO COc1cc(C[NH2+]Cc2ccccc2CN2CCN(C)CC2)cc2c1OCO2 ZINC000048375466 570249603 /nfs/dbraw/zinc/24/96/03/570249603.db2.gz OKLKANGWLAZEPE-UHFFFAOYSA-N 1 3 383.492 2.461 50 0 GEAAHO CCCNC(=O)[C@@H]1CCCN(CC[C@H](C)[N@@H+]2CCC[C@H](C(=O)NCCC)C2)C1 ZINC000107148438 570971203 /nfs/dbraw/zinc/97/12/03/570971203.db2.gz DXOYKLSXPDUCEA-ZCNNSNEGSA-N 1 3 394.604 2.241 50 0 GEAAHO CCCNC(=O)[C@@H]1CCCN(CC[C@H](C)[N@H+]2CCC[C@H](C(=O)NCCC)C2)C1 ZINC000107148438 570971207 /nfs/dbraw/zinc/97/12/07/570971207.db2.gz DXOYKLSXPDUCEA-ZCNNSNEGSA-N 1 3 394.604 2.241 50 0 GEAAHO CCCNC(=O)[C@@H]1CCC[N@@H+](CC[C@H](C)N2CCC[C@H](C(=O)NCCC)C2)C1 ZINC000107148438 570971211 /nfs/dbraw/zinc/97/12/11/570971211.db2.gz DXOYKLSXPDUCEA-ZCNNSNEGSA-N 1 3 394.604 2.241 50 0 GEAAHO CCCNC(=O)[C@@H]1CCC[N@H+](CC[C@H](C)N2CCC[C@H](C(=O)NCCC)C2)C1 ZINC000107148438 570971215 /nfs/dbraw/zinc/97/12/15/570971215.db2.gz DXOYKLSXPDUCEA-ZCNNSNEGSA-N 1 3 394.604 2.241 50 0 GEAAHO Cc1ccc2ncccc2c1C[N@@H+]1C[C@H](CO)[C@H](CN2CCCN(C)CC2)C1 ZINC000092078762 571044344 /nfs/dbraw/zinc/04/43/44/571044344.db2.gz BLMAFIYARYKHIX-WOJBJXKFSA-N 1 3 382.552 2.221 50 0 GEAAHO Cc1ccc2ncccc2c1C[N@H+]1C[C@H](CO)[C@H](CN2CCCN(C)CC2)C1 ZINC000092078762 571044346 /nfs/dbraw/zinc/04/43/46/571044346.db2.gz BLMAFIYARYKHIX-WOJBJXKFSA-N 1 3 382.552 2.221 50 0 GEAAHO CC[NH+](CC)C[C@H](O)COc1cc(CN2CCC(OC)CC2)ccc1OC ZINC000012049003 221145553 /nfs/dbraw/zinc/14/55/53/221145553.db2.gz HDVNKQFZLBXZCA-SFHVURJKSA-N 1 3 380.529 2.388 50 0 GEAAHO COCCNCc1ccc(OC)c(OC[C@H](O)C[NH+]2CCCCCCC2)c1 ZINC000015074302 221330490 /nfs/dbraw/zinc/33/04/90/221330490.db2.gz YFKIVRDPJUUVKJ-LJQANCHMSA-N 1 3 380.529 2.437 50 0 GEAAHO CN1CC2(C[C@@H]1C(=O)N1CCN(c3ccccc3Cl)CC1)CC[NH2+]CC2 ZINC000072411916 136169657 /nfs/dbraw/zinc/16/96/57/136169657.db2.gz QTRDLABMPSPUKW-GOSISDBHSA-N 1 3 376.932 2.063 50 0 GEAAHO COCCN(C)C(=O)[C@H]1CCCN(C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000071752858 222191472 /nfs/dbraw/zinc/19/14/72/222191472.db2.gz ZNHZVQCGWXVKKP-NRFANRHFSA-N 1 3 399.579 2.435 50 0 GEAAHO CCN(CCc1nc2c(cccc2C)[nH]1)C(=O)[C@@H]1CC2(CN1C)CC[NH2+]CC2 ZINC000072480029 222267256 /nfs/dbraw/zinc/26/72/56/222267256.db2.gz XAUIHKLIWCHZOG-SFHVURJKSA-N 1 3 383.540 2.336 50 0 GEAAHO C/C=C(\C)C[NH+]1CCC2(CN(CCN3CCN(C(C)C)CC3)C(=O)O2)CC1 ZINC000072425893 222258887 /nfs/dbraw/zinc/25/88/87/222258887.db2.gz UUALFMUHMLZHEW-PTXOJBNSSA-N 1 3 378.561 2.265 50 0 GEAAHO COc1cc(CN2CCC3(CCO3)CC2)ccc1OC[C@@H](O)C[NH+]1CCCC1 ZINC000095498380 222332788 /nfs/dbraw/zinc/33/27/88/222332788.db2.gz PZSYNJKSUSDKLI-IBGZPJMESA-N 1 3 390.524 2.286 50 0 GEAAHO COc1ccc(CN(C)CC2CCOCC2)c(OC[C@@H](O)C[NH+]2CCCC2)c1 ZINC000095503271 222336402 /nfs/dbraw/zinc/33/64/02/222336402.db2.gz BSHDCTXJZPXQEF-FQEVSTJZSA-N 1 3 392.540 2.389 50 0 GEAAHO COCCN(C[C@@H]1CCC[N@@H+](C2Cc3ccccc3C2)C1)C(=O)Cc1c[nH]cn1 ZINC000095504512 222336698 /nfs/dbraw/zinc/33/66/98/222336698.db2.gz CQPMKLAGFFUQRO-GOSISDBHSA-N 1 3 396.535 2.307 50 0 GEAAHO COCCN(C[C@@H]1CCC[N@H+](C2Cc3ccccc3C2)C1)C(=O)Cc1c[nH]cn1 ZINC000095504512 222336701 /nfs/dbraw/zinc/33/67/01/222336701.db2.gz CQPMKLAGFFUQRO-GOSISDBHSA-N 1 3 396.535 2.307 50 0 GEAAHO COc1cc(CN2CCN(C)C(C)(C)C2)ccc1OC[C@@H](O)C[N@H+](C)C(C)C ZINC000095511023 222343085 /nfs/dbraw/zinc/34/30/85/222343085.db2.gz UDZGYIMDTVWWOF-IBGZPJMESA-N 1 3 393.572 2.301 50 0 GEAAHO COc1cc(CN2CCN(C)C(C)(C)C2)ccc1OC[C@@H](O)C[N@@H+](C)C(C)C ZINC000095511023 222343087 /nfs/dbraw/zinc/34/30/87/222343087.db2.gz UDZGYIMDTVWWOF-IBGZPJMESA-N 1 3 393.572 2.301 50 0 GEAAHO COc1cc(CN2CCC(C)(CO)CC2)ccc1OC[C@@H](O)C[N@H+](C)C(C)C ZINC000095531822 222355043 /nfs/dbraw/zinc/35/50/43/222355043.db2.gz DIIWQDJQHZSHFM-IBGZPJMESA-N 1 3 394.556 2.370 50 0 GEAAHO COc1cc(CN2CCC(C)(CO)CC2)ccc1OC[C@@H](O)C[N@@H+](C)C(C)C ZINC000095531822 222355045 /nfs/dbraw/zinc/35/50/45/222355045.db2.gz DIIWQDJQHZSHFM-IBGZPJMESA-N 1 3 394.556 2.370 50 0 GEAAHO O=C(NCCN1CCCCC1)c1cccc(N2CC[NH2+][C@H](c3ccccc3)C2)n1 ZINC000065256357 570755151 /nfs/dbraw/zinc/75/51/51/570755151.db2.gz UWXBNVCZISXNAS-NRFANRHFSA-N 1 3 393.535 2.448 50 0 GEAAHO C[C@H](CO)NC(=O)C1CCN(C2CC[NH+](CCCc3ccccc3)CC2)CC1 ZINC000019224265 570963834 /nfs/dbraw/zinc/96/38/34/570963834.db2.gz ONMYUQUHBPCNTK-LJQANCHMSA-N 1 3 387.568 2.293 50 0 GEAAHO COc1ccc([C@@H]2CN(C(=O)C3CC[NH+](C)CC3)[C@H]3[C@@H]2N2CCC3CC2)cc1 ZINC000095371475 571061196 /nfs/dbraw/zinc/06/11/96/571061196.db2.gz PAZPFTQITLOOGS-BHDDXSALSA-N 1 3 383.536 2.426 50 0 GEAAHO CC(C)[NH+]1CCC(N2CCN(C3CSCCSC3)C[C@@H]2CCO)CC1 ZINC000022929048 531593996 /nfs/dbraw/zinc/59/39/96/531593996.db2.gz AQZKWKJOKNBGCW-SFHVURJKSA-N 1 3 387.659 2.076 50 0 GEAAHO COc1ccc(C[NH2+]CCc2ccncc2)cc1OC[C@H](O)CN1CCCC1 ZINC000011821911 221128979 /nfs/dbraw/zinc/12/89/79/221128979.db2.gz VQRUPIPFQWOATL-HXUWFJFHSA-N 1 3 385.508 2.258 50 0 GEAAHO CC[NH+](CC)C[C@@H](O)COc1cc(CN2CCC(OC)CC2)ccc1OC ZINC000012049000 221145594 /nfs/dbraw/zinc/14/55/94/221145594.db2.gz HDVNKQFZLBXZCA-GOSISDBHSA-N 1 3 380.529 2.388 50 0 GEAAHO CCN1CCC[C@H]1CN(CC1CC[NH+](CCOC)CC1)C(=O)c1ccncc1 ZINC000012443227 221195258 /nfs/dbraw/zinc/19/52/58/221195258.db2.gz BWVMITIJLJSWDX-NRFANRHFSA-N 1 3 388.556 2.367 50 0 GEAAHO CC(C)CCN1C(=O)N(CCN(C)C)C(=O)C12CC[NH+]([C@H]1CCSC1)CC2 ZINC000014744019 221316273 /nfs/dbraw/zinc/31/62/73/221316273.db2.gz XGHYQFNGSOPASI-KRWDZBQOSA-N 1 3 396.601 2.198 50 0 GEAAHO Cc1n[nH]c(C)c1CCNC(=O)[C@H]1CCCN(C2CC[NH+](C(C)C)CC2)C1 ZINC000015075242 221331479 /nfs/dbraw/zinc/33/14/79/221331479.db2.gz DTAJAWOFHYHLJD-SFHVURJKSA-N 1 3 375.561 2.270 50 0 GEAAHO CC(C)N1CCC([NH2+]C[C@@]2(O)CCCN(CCCc3ccccc3)C2=O)CC1 ZINC000067975766 222170885 /nfs/dbraw/zinc/17/08/85/222170885.db2.gz WKXKKUGSONITSA-QHCPKHFHSA-N 1 3 387.568 2.435 50 0 GEAAHO CCN(CCc1nc2c(cccc2C)[nH]1)C(=O)[C@H]1CC2(CN1C)CC[NH2+]CC2 ZINC000072480030 222267123 /nfs/dbraw/zinc/26/71/23/222267123.db2.gz XAUIHKLIWCHZOG-GOSISDBHSA-N 1 3 383.540 2.336 50 0 GEAAHO COc1ccc(CN2CCC(CO)CC2)cc1OC[C@H](O)C[NH+]1CCCCC1 ZINC000095516906 222343821 /nfs/dbraw/zinc/34/38/21/222343821.db2.gz HXNCJKCDAXCRTM-HXUWFJFHSA-N 1 3 392.540 2.125 50 0 GEAAHO C[N@H+](Cc1cccc(OC[C@H](O)CN2CCC(O)CC2)c1)C1CCSCC1 ZINC000095523639 222348896 /nfs/dbraw/zinc/34/88/96/222348896.db2.gz KBFYXROIEZTAIH-HXUWFJFHSA-N 1 3 394.581 2.210 50 0 GEAAHO C[N@@H+](Cc1cccc(OC[C@H](O)CN2CCC(O)CC2)c1)C1CCSCC1 ZINC000095523639 222348899 /nfs/dbraw/zinc/34/88/99/222348899.db2.gz KBFYXROIEZTAIH-HXUWFJFHSA-N 1 3 394.581 2.210 50 0 GEAAHO Cc1nccc(C2CCN(Cc3ccc(OC[C@@H](O)C[NH+](C)C)cc3)CC2)n1 ZINC000095531108 222353614 /nfs/dbraw/zinc/35/36/14/222353614.db2.gz VYGYDJXWTBJYQV-FQEVSTJZSA-N 1 3 384.524 2.466 50 0 GEAAHO COc1cc(CN2CCC(C)(CO)CC2)ccc1OC[C@H](O)C[N@H+](C)C(C)C ZINC000095531823 222354578 /nfs/dbraw/zinc/35/45/78/222354578.db2.gz DIIWQDJQHZSHFM-LJQANCHMSA-N 1 3 394.556 2.370 50 0 GEAAHO COc1cc(CN2CCC(C)(CO)CC2)ccc1OC[C@H](O)C[N@@H+](C)C(C)C ZINC000095531823 222354582 /nfs/dbraw/zinc/35/45/82/222354582.db2.gz DIIWQDJQHZSHFM-LJQANCHMSA-N 1 3 394.556 2.370 50 0 GEAAHO Cc1cc(-n2cccn2)ccc1CN1CCN(C2CC[NH+](C)CC2)[C@@H](CCO)C1 ZINC000019720628 570211450 /nfs/dbraw/zinc/21/14/50/570211450.db2.gz NKRIEDFFKFWRDU-QHCPKHFHSA-N 1 3 397.567 2.144 50 0 GEAAHO Cc1cc(-n2cccn2)ccc1CN1CC[N@@H+](C2CCN(C)CC2)[C@@H](CCO)C1 ZINC000019720628 570211453 /nfs/dbraw/zinc/21/14/53/570211453.db2.gz NKRIEDFFKFWRDU-QHCPKHFHSA-N 1 3 397.567 2.144 50 0 GEAAHO Cc1cc(-n2cccn2)ccc1CN1CC[N@H+](C2CCN(C)CC2)[C@@H](CCO)C1 ZINC000019720628 570211454 /nfs/dbraw/zinc/21/14/54/570211454.db2.gz NKRIEDFFKFWRDU-QHCPKHFHSA-N 1 3 397.567 2.144 50 0 GEAAHO CCC[NH+]1CCC2(CC1)CC[N@H+](Cc1ccc(-c3nnn[n-]3)cc1)C[C@@H]2CO ZINC000097425140 570243971 /nfs/dbraw/zinc/24/39/71/570243971.db2.gz BXMFYVUBWTUWEQ-LJQANCHMSA-N 1 3 384.528 2.173 50 0 GEAAHO CCC[NH+]1CCC2(CC1)CC[N@@H+](Cc1ccc(-c3nnn[n-]3)cc1)C[C@@H]2CO ZINC000097425140 570243974 /nfs/dbraw/zinc/24/39/74/570243974.db2.gz BXMFYVUBWTUWEQ-LJQANCHMSA-N 1 3 384.528 2.173 50 0 GEAAHO CCC[NH+]1CCC2(CC1)CC[N@H+](Cc1ccc(-c3nn[n-]n3)cc1)C[C@@H]2CO ZINC000097425140 570243977 /nfs/dbraw/zinc/24/39/77/570243977.db2.gz BXMFYVUBWTUWEQ-LJQANCHMSA-N 1 3 384.528 2.173 50 0 GEAAHO CCC[NH+]1CCC2(CC1)CC[N@@H+](Cc1ccc(-c3nn[n-]n3)cc1)C[C@@H]2CO ZINC000097425140 570243978 /nfs/dbraw/zinc/24/39/78/570243978.db2.gz BXMFYVUBWTUWEQ-LJQANCHMSA-N 1 3 384.528 2.173 50 0 GEAAHO CC(C)[NH+]1CCC(N2CCN(C3CSCCSC3)C[C@H]2CCO)CC1 ZINC000104842898 570260649 /nfs/dbraw/zinc/26/06/49/570260649.db2.gz AQZKWKJOKNBGCW-GOSISDBHSA-N 1 3 387.659 2.076 50 0 GEAAHO CCN(CCO)C(=O)[C@@H]1CCCN(C2CC[NH+](C3Cc4ccccc4C3)CC2)C1 ZINC000091690887 571025950 /nfs/dbraw/zinc/02/59/50/571025950.db2.gz KFNYBAMPOLQWDD-OAQYLSRUSA-N 1 3 399.579 2.171 50 0 GEAAHO Cc1cc(N2CCC([NH2+]Cc3cnn(-c4ccc(F)cc4)c3)CC2)nc(N)n1 ZINC000095366457 136178277 /nfs/dbraw/zinc/17/82/77/136178277.db2.gz KZPWYEGQFPEBAG-UHFFFAOYSA-N 1 3 381.459 2.451 50 0 GEAAHO CCN(CCc1nc2cc(C)ccc2[nH]1)C(=O)[C@H]1CC2(CN1C)CC[NH2+]CC2 ZINC000072430558 222258972 /nfs/dbraw/zinc/25/89/72/222258972.db2.gz OWWCEDUZNHZAPO-LJQANCHMSA-N 1 3 383.540 2.336 50 0 GEAAHO CCN(CCc1nc2ccc(C)cc2[nH]1)C(=O)[C@H]1CC2(CN1C)CC[NH2+]CC2 ZINC000072430558 222258973 /nfs/dbraw/zinc/25/89/73/222258973.db2.gz OWWCEDUZNHZAPO-LJQANCHMSA-N 1 3 383.540 2.336 50 0 GEAAHO CCCN1CC2(C[C@H]1C(=O)N(C)CCCc1cnn(C)c1)CC[NH+](C)CC2 ZINC000072425866 222259037 /nfs/dbraw/zinc/25/90/37/222259037.db2.gz SPDKJHWUMNMFMQ-IBGZPJMESA-N 1 3 375.561 2.007 50 0 GEAAHO C[NH+](C)CCCn1ccnc1[C@H]1CCCN(C(=O)CN2CCCCCC2)C1 ZINC000095505092 222338756 /nfs/dbraw/zinc/33/87/56/222338756.db2.gz RMGFCDJLCPRGSB-IBGZPJMESA-N 1 3 375.561 2.417 50 0 GEAAHO COc1ccc(CN2CCC3(CCO3)CC2)c(OC[C@H](O)C[NH+]2CCCC2)c1 ZINC000095523647 222348691 /nfs/dbraw/zinc/34/86/91/222348691.db2.gz HIIYLLVZZCFOFK-LJQANCHMSA-N 1 3 390.524 2.286 50 0 GEAAHO CCS(=O)(=O)N1CCC([NH2+][C@@H]2CC[C@H]3CN(Cc4ccccc4)C[C@@H]32)CC1 ZINC000096003145 222369511 /nfs/dbraw/zinc/36/95/11/222369511.db2.gz OFQVZVAWORAWHO-SESVDKBCSA-N 1 3 391.581 2.301 50 0 GEAAHO CC(C)=CCN1CCN(Cc2ccc(OCC[NH+](C)C)cc2)C[C@@H]1CCO ZINC000019721090 570211312 /nfs/dbraw/zinc/21/13/12/570211312.db2.gz PTOJSTICBSFKDV-NRFANRHFSA-N 1 3 375.557 2.462 50 0 GEAAHO CC(C)=CCN1CCN(Cc2ccc(OCC[NH+](C)C)cc2)C[C@H]1CCO ZINC000104636218 570255807 /nfs/dbraw/zinc/25/58/07/570255807.db2.gz PTOJSTICBSFKDV-OAQYLSRUSA-N 1 3 375.557 2.462 50 0 GEAAHO CCN1CCN(C2CCN(C(=O)c3ccc([C@H]4CCC[NH2+]4)s3)CC2)CC1 ZINC000020472551 570261056 /nfs/dbraw/zinc/26/10/56/570261056.db2.gz WRGZSPOCCXNTSJ-QGZVFWFLSA-N 1 3 376.570 2.415 50 0 GEAAHO COCCCN(C(=O)[C@@H]1CCCN(Cc2ccco2)C1)C1CC[NH+](C)CC1 ZINC000055042169 570680046 /nfs/dbraw/zinc/68/00/46/570680046.db2.gz GVFSHFGUZHAOSS-GOSISDBHSA-N 1 3 377.529 2.451 50 0 GEAAHO C[N@@H+]1CCCC[C@H]1CCNC(=O)c1ccc(N2CCN(CC3CC3)CC2)nc1 ZINC000019225417 570963821 /nfs/dbraw/zinc/96/38/21/570963821.db2.gz IYRIETIFPVQKFR-FQEVSTJZSA-N 1 3 385.556 2.218 50 0 GEAAHO C[N@H+]1CCCC[C@H]1CCNC(=O)c1ccc(N2CCN(CC3CC3)CC2)nc1 ZINC000019225417 570963823 /nfs/dbraw/zinc/96/38/23/570963823.db2.gz IYRIETIFPVQKFR-FQEVSTJZSA-N 1 3 385.556 2.218 50 0 GEAAHO